smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCn1cncc1C[NH2+]Cc1cc(Br)cs1 ZINC000090205556 1081703418 /nfs/dbraw/zinc/70/34/18/1081703418.db2.gz ZWBDCAPTNRXCFQ-UHFFFAOYSA-N 1 0 314.252 3.407 10 0 DGAERO CSC1CC([NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000706816327 1082140689 /nfs/dbraw/zinc/14/06/89/1082140689.db2.gz ALNCSYDAWLOODC-MRFVTOPCSA-N 1 0 314.495 3.163 10 0 DGAERO C/C(=C/c1ccc(C)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000588401006 1082142340 /nfs/dbraw/zinc/14/23/40/1082142340.db2.gz FHAQTMJVAVOZPU-WREUSQSKSA-N 1 0 312.457 3.341 10 0 DGAERO Cc1occc1C[NH2+]C[C@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398926505 1082241688 /nfs/dbraw/zinc/24/16/88/1082241688.db2.gz RSCFHBODMAUEES-AWEZNQCLSA-N 1 0 312.410 3.159 10 0 DGAERO COc1ccc(/C=C(/C)C(=O)N(CC[NH+](C)C)C(C)C)cc1F ZINC000588440728 1082285134 /nfs/dbraw/zinc/28/51/34/1082285134.db2.gz BJLCOJHWAQRLHC-KAMYIIQDSA-N 1 0 322.424 3.036 10 0 DGAERO FC(F)(F)CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000403603752 1082428217 /nfs/dbraw/zinc/42/82/17/1082428217.db2.gz YXHFVAIVXDNWCV-YHWZYXNKSA-N 1 0 308.413 3.029 10 0 DGAERO C/C(=C/c1ccccc1Cl)C(=O)N1CC[NH+]2CCC1CC2 ZINC000588562114 1082637710 /nfs/dbraw/zinc/63/77/10/1082637710.db2.gz NLDCWQJGYKNMHU-SEYXRHQNSA-N 1 0 304.821 3.050 10 0 DGAERO Brc1cc(C[NH2+]C[C@H]2C=CCC2)cc2c1OCCO2 ZINC000711705033 1085522635 /nfs/dbraw/zinc/52/26/35/1085522635.db2.gz VKHLZTSPUCOCLK-NSHDSACASA-N 1 0 324.218 3.276 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC000715542116 1090644688 /nfs/dbraw/zinc/64/46/88/1090644688.db2.gz WZCGLIMPQLFUPW-LSDHHAIUSA-N 1 0 310.235 3.496 10 0 DGAERO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1CCC(SC)CC1 ZINC000720566389 1093100620 /nfs/dbraw/zinc/10/06/20/1093100620.db2.gz IETICJIJTSBWBG-RUXDESIVSA-N 1 0 300.512 3.049 10 0 DGAERO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)nn1 ZINC000720616094 1093873723 /nfs/dbraw/zinc/87/37/23/1093873723.db2.gz OLRTXQIMFFUMTO-FOIQADDNSA-N 1 0 324.472 3.094 10 0 DGAERO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)nn1 ZINC000720616098 1093874272 /nfs/dbraw/zinc/87/42/72/1093874272.db2.gz OLRTXQIMFFUMTO-YWZLYKJASA-N 1 0 324.472 3.094 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)C[C@H]2C1 ZINC000401114194 1093935929 /nfs/dbraw/zinc/93/59/29/1093935929.db2.gz HNQFIQSEYPIPJA-WBAHDQRJSA-N 1 0 320.477 3.410 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCOC2)C12CCCC2 ZINC000401531250 1093953316 /nfs/dbraw/zinc/95/33/16/1093953316.db2.gz QAUHUGFUJKQHFC-HUUCEWRRSA-N 1 0 324.465 3.077 10 0 DGAERO CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCC1 ZINC000401621808 1093960514 /nfs/dbraw/zinc/96/05/14/1093960514.db2.gz WOLYVIOMZAYTPE-GOSISDBHSA-N 1 0 324.472 3.431 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401732788 1093968184 /nfs/dbraw/zinc/96/81/84/1093968184.db2.gz VXXPGVPIKAIQDT-UKRRQHHQSA-N 1 0 320.433 3.127 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401748489 1093969967 /nfs/dbraw/zinc/96/99/67/1093969967.db2.gz LVLYQMAFIOYUAX-WCQYABFASA-N 1 0 318.408 3.267 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403168849 1094102191 /nfs/dbraw/zinc/10/21/91/1094102191.db2.gz CCGGBCZTWNQYIQ-WCVJEAGWSA-N 1 0 308.466 3.412 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccns2)C12CCC2 ZINC000404442774 1094258687 /nfs/dbraw/zinc/25/86/87/1094258687.db2.gz LPOIXRAAUSDCHA-CHWSQXEVSA-N 1 0 323.462 3.069 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000404462867 1094258821 /nfs/dbraw/zinc/25/88/21/1094258821.db2.gz SOBRPRWCWIILGT-NWDGAFQWSA-N 1 0 311.451 3.069 10 0 DGAERO Cc1ccc(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)o1 ZINC000404543803 1094261435 /nfs/dbraw/zinc/26/14/35/1094261435.db2.gz ADJAYEMQBWNTOC-UHFFFAOYSA-N 1 0 308.422 3.373 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)o1 ZINC000404783307 1094268309 /nfs/dbraw/zinc/26/83/09/1094268309.db2.gz XBTVTEQHCPJMNE-KGLIPLIRSA-N 1 0 323.437 3.073 10 0 DGAERO Cc1ccc(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)cn1 ZINC000404769741 1094268560 /nfs/dbraw/zinc/26/85/60/1094268560.db2.gz VVCPFPSFFDMQQK-UHFFFAOYSA-N 1 0 319.449 3.175 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CO[C@H]1C ZINC000405805829 1094436827 /nfs/dbraw/zinc/43/68/27/1094436827.db2.gz WNEPRNOMJJAEFV-AKKLJKOSSA-N 1 0 302.462 3.053 10 0 DGAERO Cc1ccc(C[NH2+]CCc2ccc(Br)cc2)nc1 ZINC000310794683 1094941064 /nfs/dbraw/zinc/94/10/64/1094941064.db2.gz VRBCMTCSIIGUSX-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO Cc1occc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721907770 1098155066 /nfs/dbraw/zinc/15/50/66/1098155066.db2.gz XZIVAHXOJIXBNB-CQSZACIVSA-N 1 0 308.422 3.323 10 0 DGAERO CC(C)CSCCC[NH2+]C1(C(=O)NCC2CC2)CCCC1 ZINC000158307395 1100631205 /nfs/dbraw/zinc/63/12/05/1100631205.db2.gz RQZVJCDDVWZHMN-UHFFFAOYSA-N 1 0 312.523 3.194 10 0 DGAERO c1[nH]nc2c1cccc2C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000084017722 1102111334 /nfs/dbraw/zinc/11/13/34/1102111334.db2.gz FIZGOAHDUUCMMS-UHFFFAOYSA-N 1 0 305.385 3.162 10 0 DGAERO CC1(C)C[C@]1(C)C[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000717102718 1103821748 /nfs/dbraw/zinc/82/17/48/1103821748.db2.gz YPQZDHOSUCUECM-GOSISDBHSA-N 1 0 302.418 3.033 10 0 DGAERO Cc1ccc(C[NH2+][C@@H](CO)C2CCC2)c(C)c1Br ZINC000719612659 1104960444 /nfs/dbraw/zinc/96/04/44/1104960444.db2.gz MCJRREODPAUUAK-AWEZNQCLSA-N 1 0 312.251 3.317 10 0 DGAERO C[C@H]1[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CCN1C ZINC000719642895 1104968693 /nfs/dbraw/zinc/96/86/93/1104968693.db2.gz CUPQMIXMQJMACX-ZANVPECISA-N 1 0 317.658 3.285 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000723831856 1106362302 /nfs/dbraw/zinc/36/23/02/1106362302.db2.gz DYIWTTJNJAMUMO-UKRRQHHQSA-N 1 0 322.424 3.418 10 0 DGAERO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1CC[NH3+] ZINC000723904429 1106443602 /nfs/dbraw/zinc/44/36/02/1106443602.db2.gz GHXQDDMHTIYDJV-NXEZZACHSA-N 1 0 301.217 3.050 10 0 DGAERO CSC1(C[NH2+]Cc2ncccc2Br)CCC1 ZINC000380683659 1108069474 /nfs/dbraw/zinc/06/94/74/1108069474.db2.gz GZTXNTWRTGBMKQ-UHFFFAOYSA-N 1 0 301.253 3.219 10 0 DGAERO CC/C=C\C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000384698802 1108304968 /nfs/dbraw/zinc/30/49/68/1108304968.db2.gz ACIJKFCWNSKZCE-ARJAWSKDSA-N 1 0 312.207 3.276 10 0 DGAERO Brc1ccc(C2CC([NH2+]Cc3cnccn3)C2)cc1 ZINC000700523776 1108829576 /nfs/dbraw/zinc/82/95/76/1108829576.db2.gz ITEXLNZSQMBQHE-UHFFFAOYSA-N 1 0 318.218 3.275 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000181283095 199275928 /nfs/dbraw/zinc/27/59/28/199275928.db2.gz LYNCYRSHKZQWTN-GJYPPUQNSA-N 1 0 320.477 3.091 10 0 DGAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000079308962 185164320 /nfs/dbraw/zinc/16/43/20/185164320.db2.gz UHQWNJDHPNMGBK-GJZGRUSLSA-N 1 0 320.477 3.176 10 0 DGAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000079308969 185164339 /nfs/dbraw/zinc/16/43/39/185164339.db2.gz UHQWNJDHPNMGBK-HUUCEWRRSA-N 1 0 320.477 3.176 10 0 DGAERO CCc1nc(Cc2ccc(OC)c(OC)c2)sc1C[NH2+]C ZINC000082422727 185180481 /nfs/dbraw/zinc/18/04/81/185180481.db2.gz OFGCOIXTYFCXJG-UHFFFAOYSA-N 1 0 306.431 3.033 10 0 DGAERO COCC[C@H](COC)[NH2+][C@@H](C)c1ccccc1Br ZINC000310807200 231115292 /nfs/dbraw/zinc/11/52/92/231115292.db2.gz HXQXCJRIWFQOIN-NWDGAFQWSA-N 1 0 316.239 3.151 10 0 DGAERO Cc1ncccc1C[N@H+]1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000328631384 231267458 /nfs/dbraw/zinc/26/74/58/231267458.db2.gz KMHYBRXZTCWUFB-FQEVSTJZSA-N 1 0 324.472 3.272 10 0 DGAERO COc1cc(Cl)ccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129351490 432004489 /nfs/dbraw/zinc/00/44/89/432004489.db2.gz QENRVSLDACIYAM-UHFFFAOYSA-N 1 0 324.852 3.199 10 0 DGAERO CCc1c(C)[nH+]c2ccccc2c1NC[C@@](C)(O)c1cnn(C)c1 ZINC000302029398 529491702 /nfs/dbraw/zinc/49/17/02/529491702.db2.gz JFYWMVXYLGQNNH-LJQANCHMSA-N 1 0 324.428 3.159 10 0 DGAERO CCCCc1nc(Cl)c(C[NH2+]CCCc2c[nH]nc2C)[nH]1 ZINC000088399177 185248347 /nfs/dbraw/zinc/24/83/47/185248347.db2.gz NWTWTMKZVYQWCJ-UHFFFAOYSA-N 1 0 309.845 3.160 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129454184 432005424 /nfs/dbraw/zinc/00/54/24/432005424.db2.gz QQORWAQCAFIXQT-FZMZJTMJSA-N 1 0 305.315 3.485 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000088785563 185265850 /nfs/dbraw/zinc/26/58/50/185265850.db2.gz WAPXFRVAHAVHQY-HOCLYGCPSA-N 1 0 319.424 3.075 10 0 DGAERO CC[N@H+](C)[C@@H](C(=O)N1CCc2cc(OC)ccc21)c1ccccc1 ZINC000103192731 432005859 /nfs/dbraw/zinc/00/58/59/432005859.db2.gz BVFHWOLIVXKDFU-LJQANCHMSA-N 1 0 324.424 3.277 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccccc1Br ZINC000090515784 185300128 /nfs/dbraw/zinc/30/01/28/185300128.db2.gz IZXQQHKOCDVVDE-PSVSLLHZSA-N 1 0 318.280 3.257 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000090572274 185304392 /nfs/dbraw/zinc/30/43/92/185304392.db2.gz WIVWFNUQAUOBEI-GOSISDBHSA-N 1 0 313.445 3.346 10 0 DGAERO COc1ccc2cc(C[NH+]3CCC(n4cncn4)CC3)ccc2c1 ZINC000092647659 185331563 /nfs/dbraw/zinc/33/15/63/185331563.db2.gz GSZDHBFMBFLVIX-UHFFFAOYSA-N 1 0 322.412 3.277 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1sccc1Br ZINC000092664894 185332762 /nfs/dbraw/zinc/33/27/62/185332762.db2.gz KEDKJNZZAWZUQL-NSHDSACASA-N 1 0 317.296 3.427 10 0 DGAERO COc1cc(C[N@H+](C)C(C2CC2)C2CC2)cc2c1OCCO2 ZINC000092704008 185334303 /nfs/dbraw/zinc/33/43/03/185334303.db2.gz DWMLINYFKDMBDJ-UHFFFAOYSA-N 1 0 303.402 3.087 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1cccnc1 ZINC000092767258 185338949 /nfs/dbraw/zinc/33/89/49/185338949.db2.gz FFSYPQGTWJKDMC-JSGCOSHPSA-N 1 0 303.356 3.289 10 0 DGAERO Cc1cccn2c(CN3CCCC[C@H]([NH+]4CCCC4)C3)cnc12 ZINC000092785732 185340954 /nfs/dbraw/zinc/34/09/54/185340954.db2.gz BRUOVXGLTVASOO-KRWDZBQOSA-N 1 0 312.461 3.093 10 0 DGAERO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)s1 ZINC000092754691 185338321 /nfs/dbraw/zinc/33/83/21/185338321.db2.gz SUZSNJBZLYQVOV-AWEZNQCLSA-N 1 0 308.491 3.429 10 0 DGAERO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000092757650 185338644 /nfs/dbraw/zinc/33/86/44/185338644.db2.gz PWOADZNJTKLQOY-AWEZNQCLSA-N 1 0 318.852 3.322 10 0 DGAERO Cc1ccc2cccc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c2n1 ZINC000092759885 185338776 /nfs/dbraw/zinc/33/87/76/185338776.db2.gz HHWKGWGBACNTQB-HOCLYGCPSA-N 1 0 324.428 3.244 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1O ZINC000092788671 185341583 /nfs/dbraw/zinc/34/15/83/185341583.db2.gz ICTNHTCAANGBLH-CYBMUJFWSA-N 1 0 304.415 3.237 10 0 DGAERO CC(C)Cc1ncc(C[NH+]2CCC(c3cc[nH]n3)CC2)s1 ZINC000092811049 185342659 /nfs/dbraw/zinc/34/26/59/185342659.db2.gz PGXUWQHYRHAPKI-UHFFFAOYSA-N 1 0 304.463 3.444 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC000129632286 432007170 /nfs/dbraw/zinc/00/71/70/432007170.db2.gz PUYKJQSRVYQFBJ-ONEGZZNKSA-N 1 0 318.436 3.466 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C12CCCC2 ZINC000181566394 199319010 /nfs/dbraw/zinc/31/90/10/199319010.db2.gz MGNRSACVIGNPLX-IRXDYDNUSA-N 1 0 307.409 3.145 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2OC)C12CCCC2 ZINC000181550036 199315756 /nfs/dbraw/zinc/31/57/56/199315756.db2.gz QTPQQJRQNNRUHW-RYQLBKOJSA-N 1 0 319.445 3.056 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC000181591235 199324202 /nfs/dbraw/zinc/32/42/02/199324202.db2.gz LLMCHFKMJIVFPZ-GFCCVEGCSA-N 1 0 322.424 3.180 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)s1 ZINC000181580086 199321417 /nfs/dbraw/zinc/32/14/17/199321417.db2.gz BANOQZCQKSPDNJ-ZETCQYMHSA-N 1 0 318.368 3.363 10 0 DGAERO CN1CC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)[C@@H]1c1cccnc1 ZINC000328634044 529794008 /nfs/dbraw/zinc/79/40/08/529794008.db2.gz MKVNDLGQYDCZJX-PXNSSMCTSA-N 1 0 320.440 3.346 10 0 DGAERO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000129662759 432007960 /nfs/dbraw/zinc/00/79/60/432007960.db2.gz NCFKPJBUQJAMTK-OAHLLOKOSA-N 1 0 316.445 3.284 10 0 DGAERO C[NH2+]C[C@@H]1CCCN(c2nnc(-c3cccc(F)c3)cc2C)C1 ZINC000420128886 529988627 /nfs/dbraw/zinc/98/86/27/529988627.db2.gz ULFFDAMQYBBMCF-AWEZNQCLSA-N 1 0 314.408 3.027 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065448691 432011490 /nfs/dbraw/zinc/01/14/90/432011490.db2.gz HPJVKQGRQABGAB-HOTGVXAUSA-N 1 0 321.461 3.049 10 0 DGAERO CC(C)CC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000129958432 432011764 /nfs/dbraw/zinc/01/17/64/432011764.db2.gz CTBLTYKSIKFZTE-HOTGVXAUSA-N 1 0 309.498 3.327 10 0 DGAERO COc1ccccc1[C@H](CC(C)C)[NH2+]CCC(=O)NC(C)C ZINC000181714560 199342683 /nfs/dbraw/zinc/34/26/83/199342683.db2.gz MGSZCYORODIILH-INIZCTEOSA-N 1 0 306.450 3.287 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1CCO[C@@H]1CCCCO1)c1ccccc1 ZINC000181726244 199344755 /nfs/dbraw/zinc/34/47/55/199344755.db2.gz JVFURGOHSRMWTM-IPMKNSEASA-N 1 0 319.445 3.118 10 0 DGAERO Cc1ccc(CCC[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000181801658 199353388 /nfs/dbraw/zinc/35/33/88/199353388.db2.gz DYJCENGGNXWMHE-UHFFFAOYSA-N 1 0 310.445 3.294 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000109168372 185555140 /nfs/dbraw/zinc/55/51/40/185555140.db2.gz VGYXKPHPGQTECL-HOCLYGCPSA-N 1 0 321.465 3.071 10 0 DGAERO c1ccc(Oc2cccnc2)c(CN2CC[NH+](C3CC3)CC2)c1 ZINC000130016227 432013230 /nfs/dbraw/zinc/01/32/30/432013230.db2.gz BQWRQAWCHVFODB-UHFFFAOYSA-N 1 0 309.413 3.154 10 0 DGAERO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000232306223 201895440 /nfs/dbraw/zinc/89/54/40/201895440.db2.gz WQLVBYBCHKYTDH-JTQLQIEISA-N 1 0 316.232 3.457 10 0 DGAERO Clc1cc(Br)cnc1NCC[C@@H]1CCC[NH2+]C1 ZINC000236051680 201923239 /nfs/dbraw/zinc/92/32/39/201923239.db2.gz XEXROMLOGCRZTO-VIFPVBQESA-N 1 0 318.646 3.299 10 0 DGAERO CCO[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000130190796 432017770 /nfs/dbraw/zinc/01/77/70/432017770.db2.gz CVGDZSMKBMATNR-VJFUWPCTSA-N 1 0 318.461 3.001 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000279678832 215054904 /nfs/dbraw/zinc/05/49/04/215054904.db2.gz GTCKJTWSWYYKOV-DZKIICNBSA-N 1 0 319.449 3.378 10 0 DGAERO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279712235 215082336 /nfs/dbraw/zinc/08/23/36/215082336.db2.gz LABGJVNTBNVPBS-GOEBONIOSA-N 1 0 304.434 3.422 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279762770 215125327 /nfs/dbraw/zinc/12/53/27/215125327.db2.gz RNLXGLLZVBNZPV-UKRRQHHQSA-N 1 0 320.433 3.127 10 0 DGAERO CCc1cnc(CC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000130310825 432020187 /nfs/dbraw/zinc/02/01/87/432020187.db2.gz VNAOVZAXZNDDMS-XUSGNXJCSA-N 1 0 322.499 3.336 10 0 DGAERO C[C@@H]1CN(CCOc2c(Cl)cccc2Cl)C[C@H](C)[NH2+]1 ZINC000070077091 190856262 /nfs/dbraw/zinc/85/62/62/190856262.db2.gz QASPFTVCCCTHRK-PHIMTYICSA-N 1 0 303.233 3.054 10 0 DGAERO C[C@H]1CCCN(Cc2ccc(F)cc2Br)[C@@H]1C[NH3+] ZINC000070177982 190868702 /nfs/dbraw/zinc/86/87/02/190868702.db2.gz KSIZKAVIBBRCRX-IINYFYTJSA-N 1 0 315.230 3.147 10 0 DGAERO C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279801937 215159180 /nfs/dbraw/zinc/15/91/80/215159180.db2.gz WEQOXWACEREBIK-WBVHZDCISA-N 1 0 318.461 3.464 10 0 DGAERO Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171731 432020514 /nfs/dbraw/zinc/02/05/14/432020514.db2.gz JGHVHYLWYKMZSR-ZDUSSCGKSA-N 1 0 322.815 3.025 10 0 DGAERO c1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000279854657 215180448 /nfs/dbraw/zinc/18/04/48/215180448.db2.gz PHMUUPHCUKONJS-SFHVURJKSA-N 1 0 324.472 3.323 10 0 DGAERO Fc1ccc(CC[NH+](C[C@H]2CCCO2)C[C@H]2CCCO2)cc1 ZINC000078617170 282975412 /nfs/dbraw/zinc/97/54/12/282975412.db2.gz WRXUKTRDLUTVLM-QZTJIDSGSA-N 1 0 307.409 3.028 10 0 DGAERO CC(C)CC(C)(C)CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000083750728 192381921 /nfs/dbraw/zinc/38/19/21/192381921.db2.gz UBJFYIRHKMDGML-UHFFFAOYSA-N 1 0 309.498 3.329 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000084063084 192399132 /nfs/dbraw/zinc/39/91/32/192399132.db2.gz ANFYORAWUAASFP-PWSUYJOCSA-N 1 0 309.479 3.020 10 0 DGAERO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152412568 186070051 /nfs/dbraw/zinc/07/00/51/186070051.db2.gz CIAQFYCDSTYNRE-CQSZACIVSA-N 1 0 300.381 3.132 10 0 DGAERO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000152504174 186080164 /nfs/dbraw/zinc/08/01/64/186080164.db2.gz IOSHQWXPJBTJPU-DZGCQCFKSA-N 1 0 322.449 3.103 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/SCc1ccco1 ZINC000152474558 186077352 /nfs/dbraw/zinc/07/73/52/186077352.db2.gz YPBCBVVLPLUHHM-FSQQNCNXSA-N 1 0 320.458 3.112 10 0 DGAERO NC(=O)N1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000164400074 186158432 /nfs/dbraw/zinc/15/84/32/186158432.db2.gz DZWIQRWLEDVIPU-QGZVFWFLSA-N 1 0 319.424 3.190 10 0 DGAERO CC(=O)c1ccccc1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000179708181 186208343 /nfs/dbraw/zinc/20/83/43/186208343.db2.gz VBELVXBOJZCBGG-HNNXBMFYSA-N 1 0 324.424 3.140 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1cccs1 ZINC000181913032 186218559 /nfs/dbraw/zinc/21/85/59/186218559.db2.gz BEEFPFPCTSZGKM-GFCCVEGCSA-N 1 0 306.406 3.196 10 0 DGAERO Brc1ccc([C@H]([NH2+]C2CC2)c2cncnc2)cc1 ZINC000186072146 186238539 /nfs/dbraw/zinc/23/85/39/186238539.db2.gz MYPCRDOIFVWDAZ-AWEZNQCLSA-N 1 0 304.191 3.081 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccccc2Cl)C1 ZINC000187988014 186239620 /nfs/dbraw/zinc/23/96/20/186239620.db2.gz HRXXPSLLLJXOHP-DYVFJYSZSA-N 1 0 324.852 3.152 10 0 DGAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000237446813 186290384 /nfs/dbraw/zinc/29/03/84/186290384.db2.gz CCHLCMDRAASIKL-ZFWWWQNUSA-N 1 0 314.385 3.414 10 0 DGAERO C/C(=C/C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1cccc(Cl)c1 ZINC000237473268 186294722 /nfs/dbraw/zinc/29/47/22/186294722.db2.gz NPIDUTZBIPURDM-KPXZUXBZSA-N 1 0 306.837 3.329 10 0 DGAERO COC(=O)c1coc(CN(C)Cc2ccc(F)cc2Cl)c1 ZINC000107063583 432026326 /nfs/dbraw/zinc/02/63/26/432026326.db2.gz DXSGOXDAKVWROD-UHFFFAOYSA-N 1 0 311.740 3.491 10 0 DGAERO CC[C@H](C)Oc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171891669 198001934 /nfs/dbraw/zinc/00/19/34/198001934.db2.gz BMVNIOYVMXEGQF-GOEBONIOSA-N 1 0 317.433 3.176 10 0 DGAERO CCN(C(=O)NCCC[NH+]1CCCCC1)[C@@H](C)c1cccnc1 ZINC000172128191 198043435 /nfs/dbraw/zinc/04/34/35/198043435.db2.gz GSNSPTXGLYCCCV-INIZCTEOSA-N 1 0 318.465 3.050 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](CCSc3ccccc3)C2)no1 ZINC000172177611 198052807 /nfs/dbraw/zinc/05/28/07/198052807.db2.gz KDSUKCFYMNLUSI-HNNXBMFYSA-N 1 0 317.458 3.425 10 0 DGAERO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC000172180805 198053673 /nfs/dbraw/zinc/05/36/73/198053673.db2.gz LDYHNHMSTVJEMS-AWEZNQCLSA-N 1 0 303.450 3.126 10 0 DGAERO Cc1ncsc1CC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000172531954 198110899 /nfs/dbraw/zinc/11/08/99/198110899.db2.gz UTXGPQMVKOOFNT-OAHLLOKOSA-N 1 0 316.474 3.131 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C(\C)c2ccccc2)[C@H](C)C1 ZINC000172610768 198123519 /nfs/dbraw/zinc/12/35/19/198123519.db2.gz LKHIRYDXNDWNDT-RABPLZDSSA-N 1 0 300.446 3.279 10 0 DGAERO C/C(=C\C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000172618912 198125343 /nfs/dbraw/zinc/12/53/43/198125343.db2.gz SIDLTZKGBMGHLE-ZTODGRRHSA-N 1 0 304.409 3.170 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000172622518 198127027 /nfs/dbraw/zinc/12/70/27/198127027.db2.gz GLDIBDDRNGFXHU-NJAFHUGGSA-N 1 0 314.473 3.438 10 0 DGAERO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(Cl)cc1 ZINC000173391818 198210054 /nfs/dbraw/zinc/21/00/54/198210054.db2.gz OIGMWRTXWDTVSA-XJKSGUPXSA-N 1 0 319.836 3.057 10 0 DGAERO C[C@H](C[NH2+]CCc1cccc(C(=O)N(C)C)c1)Cc1ccccc1 ZINC000182063144 199380795 /nfs/dbraw/zinc/38/07/95/199380795.db2.gz NSBQQZKVPLWLHF-KRWDZBQOSA-N 1 0 324.468 3.399 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(C)s1 ZINC000173872312 198263382 /nfs/dbraw/zinc/26/33/82/198263382.db2.gz JNOIOLNPAUIJNN-DZGCQCFKSA-N 1 0 319.474 3.082 10 0 DGAERO COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCc4ncnn4C3)ccc2c1 ZINC000174084772 198288955 /nfs/dbraw/zinc/28/89/55/198288955.db2.gz VPDDBABNILXFDW-SUMWQHHRSA-N 1 0 322.412 3.106 10 0 DGAERO CCCCS[C@H](C)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529472 282886036 /nfs/dbraw/zinc/88/60/36/282886036.db2.gz QAOXRAFAEYFXCK-CVEARBPZSA-N 1 0 312.523 3.385 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(Cl)cc1C ZINC000182074254 199383129 /nfs/dbraw/zinc/38/31/29/199383129.db2.gz JBWQCAZOAGPXCH-CHWSQXEVSA-N 1 0 322.840 3.134 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000174163192 198300227 /nfs/dbraw/zinc/30/02/27/198300227.db2.gz ZMTONTIHXFBEAR-KFWWJZLASA-N 1 0 322.399 3.011 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2c(F)cc(F)cc2F)CC[N@@H+]1C ZINC000174254574 198310902 /nfs/dbraw/zinc/31/09/02/198310902.db2.gz JCYOFYICFIQGGN-MWLCHTKSSA-N 1 0 315.339 3.050 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000174362471 198324129 /nfs/dbraw/zinc/32/41/29/198324129.db2.gz YWTCULCGLKLSST-DYVFJYSZSA-N 1 0 317.433 3.083 10 0 DGAERO Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107527758 432033311 /nfs/dbraw/zinc/03/33/11/432033311.db2.gz CILNUAPXSSHVQA-MRXNPFEDSA-N 1 0 304.409 3.225 10 0 DGAERO O=C(CCc1ccsc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107530175 432033898 /nfs/dbraw/zinc/03/38/98/432033898.db2.gz MJCXMRRJEQWKKW-MRXNPFEDSA-N 1 0 306.475 3.158 10 0 DGAERO CCOc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182146816 199393023 /nfs/dbraw/zinc/39/30/23/199393023.db2.gz ADAQPIJZNQQLNP-TZMCWYRMSA-N 1 0 324.852 3.293 10 0 DGAERO Cc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174746763 198379087 /nfs/dbraw/zinc/37/90/87/198379087.db2.gz DMABNJRXZDXGSD-CVEARBPZSA-N 1 0 301.434 3.474 10 0 DGAERO Cc1nccn1CCCC[N@@H+](C)CCOc1ccc(C)cc1 ZINC000163568835 432036797 /nfs/dbraw/zinc/03/67/97/432036797.db2.gz UCHJRBIBMRRQQB-UHFFFAOYSA-N 1 0 301.434 3.291 10 0 DGAERO O=C(NCCCc1ccccn1)c1cccc(C[NH+]2CCCC2)c1 ZINC000179073213 432037331 /nfs/dbraw/zinc/03/73/31/432037331.db2.gz CWSYKBURJJXBLN-UHFFFAOYSA-N 1 0 323.440 3.040 10 0 DGAERO CCC[NH2+]CCNC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000236798983 202015723 /nfs/dbraw/zinc/01/57/23/202015723.db2.gz CSDOPRZNIBKNIC-CQSZACIVSA-N 1 0 314.429 3.068 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(F)cc1Cl ZINC000131488378 432037828 /nfs/dbraw/zinc/03/78/28/432037828.db2.gz ZMVGXHQCMAAEFC-HUUCEWRRSA-N 1 0 324.827 3.107 10 0 DGAERO Fc1ccccc1-c1n[nH]c2c1C[N@@H+](C1CCSCC1)CC2 ZINC000020907446 283027993 /nfs/dbraw/zinc/02/79/93/283027993.db2.gz VNHWPAIWMUVZCR-UHFFFAOYSA-N 1 0 317.433 3.470 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000179145574 432044870 /nfs/dbraw/zinc/04/48/70/432044870.db2.gz UKDAQRJPUADXMT-OALUTQOASA-N 1 0 308.425 3.154 10 0 DGAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CCN1C(=O)OCc1ccccc1 ZINC000073657196 191338190 /nfs/dbraw/zinc/33/81/90/191338190.db2.gz XXLKAMDVAZUVLR-NVXWUHKLSA-N 1 0 302.418 3.272 10 0 DGAERO CCc1nc(-c2cccc(Cl)c2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000073684042 191341978 /nfs/dbraw/zinc/34/19/78/191341978.db2.gz OSNYMTJAXFQHRV-AWEZNQCLSA-N 1 0 316.836 3.205 10 0 DGAERO Clc1nc2c3ccccc3sc2c(N[C@@H]2CC[NH2+]C2)n1 ZINC000073736376 191349242 /nfs/dbraw/zinc/34/92/42/191349242.db2.gz YLIWGRGJIHYDEF-MRVPVSSYSA-N 1 0 304.806 3.272 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)c(SC)c1 ZINC000164252366 432046249 /nfs/dbraw/zinc/04/62/49/432046249.db2.gz MPNWCEABOGSZBT-UONOGXRCSA-N 1 0 322.449 3.246 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000119493596 283097847 /nfs/dbraw/zinc/09/78/47/283097847.db2.gz PRWUVHFRKPALQJ-BRSBDYLESA-N 1 0 304.478 3.146 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000075530365 191486974 /nfs/dbraw/zinc/48/69/74/191486974.db2.gz UZWDBXDLJDODRH-LBPRGKRZSA-N 1 0 313.392 3.057 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC2(C1)CCCCC2 ZINC000465551416 295903015 /nfs/dbraw/zinc/90/30/15/295903015.db2.gz USDXEZYVGJGFAI-INIZCTEOSA-N 1 0 307.482 3.227 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc2cc[nH]c2c1 ZINC000132231527 432047308 /nfs/dbraw/zinc/04/73/08/432047308.db2.gz XJTAMJVQDRDMHD-GOSISDBHSA-N 1 0 321.424 3.071 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(F)c(SC)c1 ZINC000164509475 432048639 /nfs/dbraw/zinc/04/86/39/432048639.db2.gz WBSYVZXWSADAHE-CYBMUJFWSA-N 1 0 310.438 3.104 10 0 DGAERO COCc1cccc(CN2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000179205827 432049595 /nfs/dbraw/zinc/04/95/95/432049595.db2.gz SHZLFCNGEOXJAM-MRXNPFEDSA-N 1 0 318.442 3.171 10 0 DGAERO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccnc1-n1cncn1 ZINC000179400732 432056082 /nfs/dbraw/zinc/05/60/82/432056082.db2.gz PGAQUDYNESPIGM-WMLDXEAASA-N 1 0 319.412 3.309 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000081362617 192257785 /nfs/dbraw/zinc/25/77/85/192257785.db2.gz DIYMYONMMMQVNC-HNNXBMFYSA-N 1 0 318.436 3.048 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@H](C)CO ZINC000165896405 432057855 /nfs/dbraw/zinc/05/78/55/432057855.db2.gz NZMHQLWQHXPUFI-GHMZBOCLSA-N 1 0 323.234 3.104 10 0 DGAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000236937498 202079943 /nfs/dbraw/zinc/07/99/43/202079943.db2.gz UPAJGUFRTBSARE-LRDDRELGSA-N 1 0 318.417 3.430 10 0 DGAERO CCCN(CC)c1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000236964850 202098039 /nfs/dbraw/zinc/09/80/39/202098039.db2.gz HVFSEFLIKMYTAY-INIZCTEOSA-N 1 0 317.477 3.042 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)s1 ZINC000166453074 432060733 /nfs/dbraw/zinc/06/07/33/432060733.db2.gz HAHOPADSGVHTFK-KGLIPLIRSA-N 1 0 304.463 3.110 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)Cc1ccc(OCC)cc1 ZINC000237056887 202138246 /nfs/dbraw/zinc/13/82/46/202138246.db2.gz IBLZPNUYVIXULK-UHFFFAOYSA-N 1 0 312.413 3.376 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H](c2cccc(Cl)c2)C(C)C)CC1 ZINC000237076049 202144651 /nfs/dbraw/zinc/14/46/51/202144651.db2.gz IARMFEJUKBPNEC-INIZCTEOSA-N 1 0 308.853 3.290 10 0 DGAERO COc1c(Cl)cc(Cl)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179548688 432061924 /nfs/dbraw/zinc/06/19/24/432061924.db2.gz QWDFYHBFLXVOQW-CYBMUJFWSA-N 1 0 315.244 3.282 10 0 DGAERO Brc1cncc(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000166891264 432063079 /nfs/dbraw/zinc/06/30/79/432063079.db2.gz LMNUHHXBSYSFNE-CQSZACIVSA-N 1 0 319.202 3.458 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@@H]3CCC[C@H](C)C3)CCO2)n1 ZINC000133397317 432063243 /nfs/dbraw/zinc/06/32/43/432063243.db2.gz UENJFQZAHRZLQU-QGTPRVQTSA-N 1 0 305.466 3.027 10 0 DGAERO C[C@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@@H]1O ZINC000167252384 432065059 /nfs/dbraw/zinc/06/50/59/432065059.db2.gz UGHIKJDQISCSFZ-GWCFXTLKSA-N 1 0 304.217 3.075 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1cnn(C)c1 ZINC000167463254 432065532 /nfs/dbraw/zinc/06/55/32/432065532.db2.gz DQQFZQBZWKLZQS-CZUORRHYSA-N 1 0 320.387 3.018 10 0 DGAERO COCCOc1cccc(C[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000179646273 432065815 /nfs/dbraw/zinc/06/58/15/432065815.db2.gz VCSGHAFDIZKDLH-UHFFFAOYSA-N 1 0 303.377 3.483 10 0 DGAERO CCCn1cc(C[N@H+](C)CCCOc2ccc(F)cc2)cn1 ZINC000179786559 432069989 /nfs/dbraw/zinc/06/99/89/432069989.db2.gz RNIPKHUHNOKBDG-UHFFFAOYSA-N 1 0 305.397 3.333 10 0 DGAERO COc1ccc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c(F)c1 ZINC000178560963 198888442 /nfs/dbraw/zinc/88/84/42/198888442.db2.gz KBDHWROYRAQWPX-NSHDSACASA-N 1 0 307.340 3.317 10 0 DGAERO C[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)C1CCOCC1 ZINC000179837874 432071838 /nfs/dbraw/zinc/07/18/38/432071838.db2.gz YSHORTZZNWIQCF-GFCCVEGCSA-N 1 0 304.365 3.385 10 0 DGAERO CC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(OC)cc1 ZINC000179812054 432071432 /nfs/dbraw/zinc/07/14/32/432071432.db2.gz HVEVJVRBVGBETK-MAUKXSAKSA-N 1 0 318.461 3.179 10 0 DGAERO C[N@@H+]1CCC[C@@H](OCC(O)(c2ccccc2)c2ccccc2)C1 ZINC000169330163 432071458 /nfs/dbraw/zinc/07/14/58/432071458.db2.gz OFYVLTPMZGTWDA-LJQANCHMSA-N 1 0 311.425 3.033 10 0 DGAERO CCC[C@H](C)C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000179900224 432073538 /nfs/dbraw/zinc/07/35/38/432073538.db2.gz PLWVFQQPJVGOJS-KRWDZBQOSA-N 1 0 303.494 3.457 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1cccc(OC(F)F)c1 ZINC000179596158 199060897 /nfs/dbraw/zinc/06/08/97/199060897.db2.gz SPZRSNLACRQTAK-YPMHNXCESA-N 1 0 317.376 3.115 10 0 DGAERO Cc1cnn([C@@H]2CCCN(Cc3c[nH]c(-c4ccccc4)n3)C2)c1 ZINC000179544057 199052584 /nfs/dbraw/zinc/05/25/84/199052584.db2.gz ZKXJAVIJDAGXBJ-GOSISDBHSA-N 1 0 321.428 3.419 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](CCOc3ccc(F)cc3Cl)C2)cn1 ZINC000179612102 199064225 /nfs/dbraw/zinc/06/42/25/199064225.db2.gz FYWWSVIPFVFGAO-LBPRGKRZSA-N 1 0 323.799 3.081 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(-c2cccnc2)n1 ZINC000179620727 199066093 /nfs/dbraw/zinc/06/60/93/199066093.db2.gz HUMXYCXDXWRBIR-AWEZNQCLSA-N 1 0 324.350 3.256 10 0 DGAERO CCc1ccc([C@@H](COC)[NH2+]C[C@](C)(O)c2ccccc2)o1 ZINC000184840668 199772180 /nfs/dbraw/zinc/77/21/80/199772180.db2.gz OFELFPSALDXXDC-AEFFLSMTSA-N 1 0 303.402 3.027 10 0 DGAERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CC2 ZINC000180085440 199115363 /nfs/dbraw/zinc/11/53/63/199115363.db2.gz QQAARYGWJRZFER-NVXWUHKLSA-N 1 0 316.836 3.296 10 0 DGAERO CC[C@H]1CCC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000185077982 199805675 /nfs/dbraw/zinc/80/56/75/199805675.db2.gz IGIZIFMWYUYARB-HOCLYGCPSA-N 1 0 321.440 3.116 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000180126404 199119970 /nfs/dbraw/zinc/11/99/70/199119970.db2.gz QSXKEVZPXJQRAX-SFHVURJKSA-N 1 0 321.428 3.246 10 0 DGAERO c1nc2n(n1)C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)CC2 ZINC000180234410 199134343 /nfs/dbraw/zinc/13/43/43/199134343.db2.gz SRDSGDRWMWJLCM-SFHVURJKSA-N 1 0 318.424 3.015 10 0 DGAERO Cc1ccc(C[C@H](C)N(C)C(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000237294787 202220119 /nfs/dbraw/zinc/22/01/19/202220119.db2.gz DJCOWQREDCXVID-IRXDYDNUSA-N 1 0 316.489 3.410 10 0 DGAERO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180487931 199164686 /nfs/dbraw/zinc/16/46/86/199164686.db2.gz IBFGPCKGPBRSIA-ZBFHGGJFSA-N 1 0 308.491 3.168 10 0 DGAERO CC(C)Sc1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180584217 199179486 /nfs/dbraw/zinc/17/94/86/199179486.db2.gz KEKCKJDMXQRNOD-ZFWWWQNUSA-N 1 0 316.474 3.444 10 0 DGAERO CCCc1csc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000180630146 199187934 /nfs/dbraw/zinc/18/79/34/199187934.db2.gz ATZDHODXVUZYKN-ZDUSSCGKSA-N 1 0 310.467 3.044 10 0 DGAERO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000180015781 432076524 /nfs/dbraw/zinc/07/65/24/432076524.db2.gz XATIZIOQIKVARM-WMLDXEAASA-N 1 0 310.445 3.011 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1cccc(CO)c1 ZINC000180015000 432076656 /nfs/dbraw/zinc/07/66/56/432076656.db2.gz OYYCPXDDWSXILD-CRAIPNDOSA-N 1 0 310.441 3.453 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000180062807 432076920 /nfs/dbraw/zinc/07/69/20/432076920.db2.gz PDLSPEFVIWTXLI-JTQLQIEISA-N 1 0 320.742 3.183 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@@H]2CCc3ncnn3C2)c2ccccc2)cc1 ZINC000180852939 199219437 /nfs/dbraw/zinc/21/94/37/199219437.db2.gz TUMKUEJIFJYXKC-UYAOXDASSA-N 1 0 318.424 3.281 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCCCn2cccn2)cc1OC ZINC000180872397 199221741 /nfs/dbraw/zinc/22/17/41/199221741.db2.gz WBGKNYWXJBSRAE-OAHLLOKOSA-N 1 0 317.433 3.421 10 0 DGAERO COC[C@H](O)CC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000181038430 199243750 /nfs/dbraw/zinc/24/37/50/199243750.db2.gz HRHJPSLSPBTBNR-UYAOXDASSA-N 1 0 313.441 3.380 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)ccc1O ZINC000180078874 432078444 /nfs/dbraw/zinc/07/84/44/432078444.db2.gz TUNJEORMMJONLM-HNNXBMFYSA-N 1 0 315.417 3.088 10 0 DGAERO CCCOc1ccc2c(c1)CC[N@@H+](C[C@@H](O)COC(C)(C)C)C2 ZINC000134525950 432079014 /nfs/dbraw/zinc/07/90/14/432079014.db2.gz RMGTVJSLZLJZJG-QGZVFWFLSA-N 1 0 321.461 3.010 10 0 DGAERO CC[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccccc1F ZINC000180120611 432079221 /nfs/dbraw/zinc/07/92/21/432079221.db2.gz YLIHXEMZGZQMIF-QGZVFWFLSA-N 1 0 314.408 3.325 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2F)[C@@H]1c1ccccc1 ZINC000180142897 432079452 /nfs/dbraw/zinc/07/94/52/432079452.db2.gz VZHQPKRBPWKZJI-RDJZCZTQSA-N 1 0 316.351 3.140 10 0 DGAERO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186203306 199927873 /nfs/dbraw/zinc/92/78/73/199927873.db2.gz LXROXGNAIMWZBS-DZGCQCFKSA-N 1 0 322.424 3.048 10 0 DGAERO Cc1ccc([C@H]([NH2+]CCCOCCO)c2ccccc2)c(C)c1 ZINC000180236005 432082062 /nfs/dbraw/zinc/08/20/62/432082062.db2.gz JGAQWGRHZKVKQW-HXUWFJFHSA-N 1 0 313.441 3.381 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1ncccc1C(F)(F)F ZINC000262064729 283436174 /nfs/dbraw/zinc/43/61/74/283436174.db2.gz RNGDNZGRYCWLHD-UHFFFAOYSA-N 1 0 323.362 3.104 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000186790214 200011585 /nfs/dbraw/zinc/01/15/85/200011585.db2.gz MFPVPJZKLOIROI-IUODEOHRSA-N 1 0 308.853 3.023 10 0 DGAERO Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000186750752 200004286 /nfs/dbraw/zinc/00/42/86/200004286.db2.gz IBEYHDXXJMLJCN-CQSZACIVSA-N 1 0 320.799 3.028 10 0 DGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000186861069 200023039 /nfs/dbraw/zinc/02/30/39/200023039.db2.gz LLZONPCJBUMMIB-AWEZNQCLSA-N 1 0 300.368 3.045 10 0 DGAERO CN1c2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2CCC1=O ZINC000187233508 200080393 /nfs/dbraw/zinc/08/03/93/200080393.db2.gz CNEVXGZVDKBCPX-OALUTQOASA-N 1 0 320.436 3.489 10 0 DGAERO Cc1ccc(CC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000187242495 200082487 /nfs/dbraw/zinc/08/24/87/200082487.db2.gz YXVHXHWLILMYCZ-KBXCAEBGSA-N 1 0 316.470 3.407 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000170858538 432084714 /nfs/dbraw/zinc/08/47/14/432084714.db2.gz XBTPLBXJGNOPBP-LLVKDONJSA-N 1 0 318.364 3.075 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2COc2ccccc2)C1 ZINC000170857954 432084900 /nfs/dbraw/zinc/08/49/00/432084900.db2.gz KBIGSPQUDJCJEQ-KRWDZBQOSA-N 1 0 324.424 3.042 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cc(-c3cccs3)on2)C1 ZINC000187938615 200179638 /nfs/dbraw/zinc/17/96/38/200179638.db2.gz WGDOPPNITDJERD-BLLLJJGKSA-N 1 0 306.431 3.386 10 0 DGAERO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c(C)c1 ZINC000187954884 200182629 /nfs/dbraw/zinc/18/26/29/200182629.db2.gz AHSVKHWAADPOJC-DJJJIMSYSA-N 1 0 318.461 3.033 10 0 DGAERO CCCc1nc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1 ZINC000188113841 200195952 /nfs/dbraw/zinc/19/59/52/200195952.db2.gz VRJOGKWXPBNCKK-ZFWWWQNUSA-N 1 0 322.499 3.365 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000180391581 432085384 /nfs/dbraw/zinc/08/53/84/432085384.db2.gz JWIBZKSDVZRIOB-ZDUSSCGKSA-N 1 0 324.415 3.233 10 0 DGAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000188380556 200236456 /nfs/dbraw/zinc/23/64/56/200236456.db2.gz ZMWNRYXWPDLSGP-YOEHRIQHSA-N 1 0 304.434 3.282 10 0 DGAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000188380483 200236583 /nfs/dbraw/zinc/23/65/83/200236583.db2.gz ZMWNRYXWPDLSGP-RHSMWYFYSA-N 1 0 304.434 3.282 10 0 DGAERO C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000188561197 200266405 /nfs/dbraw/zinc/26/64/05/200266405.db2.gz CVFTWDJNNMSRAA-QAPCUYQASA-N 1 0 316.445 3.426 10 0 DGAERO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000188687878 200287402 /nfs/dbraw/zinc/28/74/02/200287402.db2.gz LMJGREAECVVPMM-GFCCVEGCSA-N 1 0 308.422 3.119 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC(c2ccsc2)CC1 ZINC000188713409 200292301 /nfs/dbraw/zinc/29/23/01/200292301.db2.gz ZMNCCVAYDXUBCW-UHFFFAOYSA-N 1 0 315.442 3.229 10 0 DGAERO [NH3+]Cc1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)cc1 ZINC000238061672 202431640 /nfs/dbraw/zinc/43/16/40/202431640.db2.gz VAGBMCUFUIESDM-UHFFFAOYSA-N 1 0 321.424 3.022 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1 ZINC000189038988 200340160 /nfs/dbraw/zinc/34/01/60/200340160.db2.gz BUMOHWDETPKOCX-KDOFPFPSSA-N 1 0 312.388 3.277 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccs1 ZINC000189058724 200342128 /nfs/dbraw/zinc/34/21/28/200342128.db2.gz OAMSFTGBPCSHHQ-WFASDCNBSA-N 1 0 318.417 3.339 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1ccc(Cl)cc1F)CC2 ZINC000189301678 200378135 /nfs/dbraw/zinc/37/81/35/200378135.db2.gz IWTZBVQGEBZRHV-CYBMUJFWSA-N 1 0 322.815 3.299 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)CC[C@@H]1C ZINC000189344403 200385105 /nfs/dbraw/zinc/38/51/05/200385105.db2.gz KRUNXTOQVYPQHN-SUMWQHHRSA-N 1 0 315.413 3.267 10 0 DGAERO CCOC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)C(C)C ZINC000189343873 200385210 /nfs/dbraw/zinc/38/52/10/200385210.db2.gz BXRLREQQJYWCKW-GUYCJALGSA-N 1 0 322.449 3.365 10 0 DGAERO COc1c(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c(C)nn1C ZINC000189407487 200395679 /nfs/dbraw/zinc/39/56/79/200395679.db2.gz MUVAVLVOJDFAOK-DLBZAZTESA-N 1 0 313.445 3.238 10 0 DGAERO CCC[N@@H+](Cc1nc2ccccc2n1C)C[C@H]1CCCCO1 ZINC000170958050 432088801 /nfs/dbraw/zinc/08/88/01/432088801.db2.gz TTWNYRIOZRVVNC-OAHLLOKOSA-N 1 0 301.434 3.354 10 0 DGAERO CCC[N@@H+](Cc1cn2c(cccc2C)n1)C[C@@H]1CCCCO1 ZINC000170957925 432089197 /nfs/dbraw/zinc/08/91/97/432089197.db2.gz CAMHYKJVMHRDOT-KRWDZBQOSA-N 1 0 301.434 3.424 10 0 DGAERO c1onc(Cc2ccccc2)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449679223 240362875 /nfs/dbraw/zinc/36/28/75/240362875.db2.gz HGTZWLOCDMCGCN-IBGZPJMESA-N 1 0 312.413 3.268 10 0 DGAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000190104669 200488063 /nfs/dbraw/zinc/48/80/63/200488063.db2.gz NHQMZADFUGXCJF-HNNXBMFYSA-N 1 0 309.454 3.412 10 0 DGAERO COc1cccc2cc([C@H](C)[NH2+]CC3(C)OCCCO3)oc21 ZINC000190664402 200570878 /nfs/dbraw/zinc/57/08/78/200570878.db2.gz IQEGRQGSROZMHK-LBPRGKRZSA-N 1 0 305.374 3.245 10 0 DGAERO c1ccc(CSCC[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000430737091 238085317 /nfs/dbraw/zinc/08/53/17/238085317.db2.gz AJACAIBWTUHFMD-MRXNPFEDSA-N 1 0 315.438 3.349 10 0 DGAERO CSCCCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180578154 432091082 /nfs/dbraw/zinc/09/10/82/432091082.db2.gz VIMUMUAILIPMRV-INIZCTEOSA-N 1 0 307.438 3.381 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)sc1C)CC2 ZINC000180609544 432091257 /nfs/dbraw/zinc/09/12/57/432091257.db2.gz KKDGQQVTXBXVKX-DGCLKSJQSA-N 1 0 304.463 3.184 10 0 DGAERO c1cn2c(C[N@@H+]3CCC[C@]4(CCOC4)C3)c(C3CC3)nc2s1 ZINC000449682276 240366648 /nfs/dbraw/zinc/36/66/48/240366648.db2.gz NKZGVBNDZLCXBM-KRWDZBQOSA-N 1 0 317.458 3.276 10 0 DGAERO c1cn(-c2csc(C[NH2+]C[C@@H]3CCCCN3C3CC3)c2)cn1 ZINC000434788239 238244095 /nfs/dbraw/zinc/24/40/95/238244095.db2.gz SWQJMMGKCOSQIS-HNNXBMFYSA-N 1 0 316.474 3.040 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180640101 432093178 /nfs/dbraw/zinc/09/31/78/432093178.db2.gz SMJBCVWHTHFUPC-WCQYABFASA-N 1 0 319.478 3.140 10 0 DGAERO c1cn(Cc2ccccc2)c(CNC[C@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000434789723 238247839 /nfs/dbraw/zinc/24/78/39/238247839.db2.gz NOCDUSBRAIJZJO-LJQANCHMSA-N 1 0 324.472 3.038 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)CSC(C)(C)C)CC2 ZINC000180635754 432093870 /nfs/dbraw/zinc/09/38/70/432093870.db2.gz HSSLKYDWQQFRKL-QWHCGFSZSA-N 1 0 310.511 3.226 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cncc(-c2ccccc2)c1 ZINC000246105038 432094586 /nfs/dbraw/zinc/09/45/86/432094586.db2.gz OAEVCGNMKIIDKU-BEFAXECRSA-N 1 0 321.424 3.057 10 0 DGAERO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192367959 200861727 /nfs/dbraw/zinc/86/17/27/200861727.db2.gz MDNYYNUYAFDGKB-YOEHRIQHSA-N 1 0 318.461 3.252 10 0 DGAERO O=C(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)NCC1CCCCC1 ZINC000171000106 432094864 /nfs/dbraw/zinc/09/48/64/432094864.db2.gz YAPWCJRUPJPJIU-AWEZNQCLSA-N 1 0 320.399 3.347 10 0 DGAERO CCCc1csc(NC(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000180655645 432094991 /nfs/dbraw/zinc/09/49/91/432094991.db2.gz VDAAEFDNLVOKHL-UHFFFAOYSA-N 1 0 322.478 3.188 10 0 DGAERO C[C@H]([NH3+])CCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000193193551 201006006 /nfs/dbraw/zinc/00/60/06/201006006.db2.gz FKKUTBHGNDMYIE-UGSOOPFHSA-N 1 0 300.377 3.159 10 0 DGAERO CCOc1cccc2cc([C@H](C)NC(=O)CC[C@@H](C)[NH3+])oc21 ZINC000193181558 201003466 /nfs/dbraw/zinc/00/34/66/201003466.db2.gz BUPQNXFCLKGMOR-NEPJUHHUSA-N 1 0 304.390 3.136 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(C)c2)[C@@H](C)C1 ZINC000246116690 432096249 /nfs/dbraw/zinc/09/62/49/432096249.db2.gz YCTIADRZYOLPAY-BBRMVZONSA-N 1 0 307.413 3.328 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)s1 ZINC000194339120 201206549 /nfs/dbraw/zinc/20/65/49/201206549.db2.gz SMSUWVDLMZONEB-ZIAGYGMSSA-N 1 0 316.474 3.420 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2cnc(-c3ccco3)s2)CC[N@@H+]1C ZINC000194412831 201221055 /nfs/dbraw/zinc/22/10/55/201221055.db2.gz DEKLYUMNEPOZNT-QWHCGFSZSA-N 1 0 305.447 3.318 10 0 DGAERO OCCC1([NH2+]Cc2nc(-c3ccc(F)cc3)no2)CCCCC1 ZINC000440892670 238991345 /nfs/dbraw/zinc/99/13/45/238991345.db2.gz UFGXQVMQHNQZRO-UHFFFAOYSA-N 1 0 319.380 3.051 10 0 DGAERO O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000245712160 296046491 /nfs/dbraw/zinc/04/64/91/296046491.db2.gz NQFHYJYCBRGHIU-IXDOHACOSA-N 1 0 304.478 3.290 10 0 DGAERO Cn1c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)cc2sc1=O ZINC000194995108 201323683 /nfs/dbraw/zinc/32/36/83/201323683.db2.gz DIUJOFUAOQCIIG-KGLIPLIRSA-N 1 0 302.443 3.365 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000246127384 432099225 /nfs/dbraw/zinc/09/92/25/432099225.db2.gz ZFEZWGPEMVQFGE-JSGCOSHPSA-N 1 0 324.494 3.461 10 0 DGAERO CCCCOc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000171080395 432099379 /nfs/dbraw/zinc/09/93/79/432099379.db2.gz KBBWZGCPFRJQJR-HNNXBMFYSA-N 1 0 319.449 3.342 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000443639922 239221940 /nfs/dbraw/zinc/22/19/40/239221940.db2.gz HPSSDNHGIGYRNJ-AWEZNQCLSA-N 1 0 319.392 3.314 10 0 DGAERO C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000195302768 201375999 /nfs/dbraw/zinc/37/59/99/201375999.db2.gz BIQCFPJFMQVWBH-LLVKDONJSA-N 1 0 308.372 3.016 10 0 DGAERO OCCC1([NH2+]Cc2cnc(C(F)(F)F)s2)CCCCC1 ZINC000444003724 239250277 /nfs/dbraw/zinc/25/02/77/239250277.db2.gz ORVCJRFVUQBAID-UHFFFAOYSA-N 1 0 308.369 3.337 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000171078635 432100342 /nfs/dbraw/zinc/10/03/42/432100342.db2.gz CRHPPEWPQZIXQL-AWEZNQCLSA-N 1 0 317.433 3.176 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCCC23CCC3)cc1C ZINC000444795196 239359910 /nfs/dbraw/zinc/35/99/10/239359910.db2.gz XUQYONMLNZGJAB-MRXNPFEDSA-N 1 0 300.446 3.499 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1OC ZINC000246159092 432100624 /nfs/dbraw/zinc/10/06/24/432100624.db2.gz GBHHCOYZJYFPQO-IMJJTQAJSA-N 1 0 303.402 3.001 10 0 DGAERO Cc1c(Cl)c(CN2C[C@H](C)[NH2+][C@@H](C)C2)nc2ccccc12 ZINC000070077478 283735098 /nfs/dbraw/zinc/73/50/98/283735098.db2.gz NIPSGOBOBWHYHE-RYUDHWBXSA-N 1 0 303.837 3.379 10 0 DGAERO C[N@H+](CCCNC(=O)N1CCCC1(C)C)Cc1ccccc1 ZINC000171097510 432101216 /nfs/dbraw/zinc/10/12/16/432101216.db2.gz ASBFJBFCLVWEKE-UHFFFAOYSA-N 1 0 303.450 3.093 10 0 DGAERO Cc1cncc(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1 ZINC000189899945 432101568 /nfs/dbraw/zinc/10/15/68/432101568.db2.gz JSXTWUOTLXEHTM-KSSFIOAISA-N 1 0 300.377 3.491 10 0 DGAERO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000172234266 296060719 /nfs/dbraw/zinc/06/07/19/296060719.db2.gz CCSCQMFBJJCIGI-NVXWUHKLSA-N 1 0 307.482 3.225 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1SCCc2sccc21 ZINC000246168052 432103194 /nfs/dbraw/zinc/10/31/94/432103194.db2.gz IWKNOIUMECFUEO-IUODEOHRSA-N 1 0 324.515 3.069 10 0 DGAERO Cn1cncc1[C@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)cc2)CCO1 ZINC000275470371 212353463 /nfs/dbraw/zinc/35/34/63/212353463.db2.gz HQFKMVYRBSYRHS-OTUKTJHOSA-N 1 0 315.392 3.082 10 0 DGAERO Cc1cc(C)c(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000449106876 240020022 /nfs/dbraw/zinc/02/00/22/240020022.db2.gz NGAITHQHKSZURD-UHFFFAOYSA-N 1 0 317.454 3.305 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000135185047 432104111 /nfs/dbraw/zinc/10/41/11/432104111.db2.gz GQEFZCIRBVGBOB-QWHCGFSZSA-N 1 0 318.642 3.496 10 0 DGAERO C[C@H](C[NH2+]Cc1cc(Cl)sc1Cl)CN1CCOCC1 ZINC000449164507 240046947 /nfs/dbraw/zinc/04/69/47/240046947.db2.gz QFMFNDDLHHUOSS-SNVBAGLBSA-N 1 0 323.289 3.113 10 0 DGAERO c1ccc([C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@@H]2CCOC2)cc1 ZINC000449201875 240065777 /nfs/dbraw/zinc/06/57/77/240065777.db2.gz HPNQURZDXOIILR-KURKYZTESA-N 1 0 301.430 3.456 10 0 DGAERO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000449382146 240166957 /nfs/dbraw/zinc/16/69/57/240166957.db2.gz UZONNMBQHYHMMX-SNVBAGLBSA-N 1 0 317.311 3.117 10 0 DGAERO CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449405817 240182157 /nfs/dbraw/zinc/18/21/57/240182157.db2.gz OKWQIMPUOXUGTM-CVEARBPZSA-N 1 0 309.475 3.396 10 0 DGAERO CCO[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1C ZINC000449492277 240244304 /nfs/dbraw/zinc/24/43/04/240244304.db2.gz IWKMCMDAPARKKJ-CZUORRHYSA-N 1 0 317.458 3.452 10 0 DGAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cccc(Cl)c2F)cn1 ZINC000275363123 212292747 /nfs/dbraw/zinc/29/27/47/212292747.db2.gz BIPKKJQMAFNZCQ-GOEBONIOSA-N 1 0 323.799 3.223 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCOCC34CCCCC4)c2)cn1 ZINC000449622332 240323180 /nfs/dbraw/zinc/32/31/80/240323180.db2.gz DICSMRBBTHEYAK-UHFFFAOYSA-N 1 0 317.458 3.469 10 0 DGAERO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H](O)C3CCC3)cc2)CC1 ZINC000449727434 240383761 /nfs/dbraw/zinc/38/37/61/240383761.db2.gz PUUHPJNUHCCZMU-SFHVURJKSA-N 1 0 316.445 3.018 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000246191193 432105623 /nfs/dbraw/zinc/10/56/23/432105623.db2.gz MAYONDPHQOYGHT-NVXWUHKLSA-N 1 0 305.418 3.182 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000275353516 212288051 /nfs/dbraw/zinc/28/80/51/212288051.db2.gz AHFGTCDSGMPXOA-BVIKNXMNSA-N 1 0 303.450 3.222 10 0 DGAERO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc2c(c1)OCO2 ZINC000006930412 181407258 /nfs/dbraw/zinc/40/72/58/181407258.db2.gz FLERTHJIDAMGTB-HZSPNIEDSA-N 1 0 319.401 3.224 10 0 DGAERO CC1(C)CCCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000077510050 283851816 /nfs/dbraw/zinc/85/18/16/283851816.db2.gz YLQJDVFKGJEBHU-KRWDZBQOSA-N 1 0 315.461 3.408 10 0 DGAERO CN1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CCC1=O ZINC000091344109 193044017 /nfs/dbraw/zinc/04/40/17/193044017.db2.gz JLJJCWLIYFGXFK-WMZOPIPTSA-N 1 0 304.409 3.267 10 0 DGAERO COc1ccccc1[C@@H]([NH2+]CCc1nc(C)no1)C1CCCC1 ZINC000091372723 193047602 /nfs/dbraw/zinc/04/76/02/193047602.db2.gz UDTSBAKQKNRMRQ-SFHVURJKSA-N 1 0 315.417 3.450 10 0 DGAERO CC(C)[C@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1Cl ZINC000091401778 193051206 /nfs/dbraw/zinc/05/12/06/193051206.db2.gz DXBDXYWDVISQSK-INIZCTEOSA-N 1 0 311.853 3.416 10 0 DGAERO Cc1cc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1Br ZINC000091472139 193061524 /nfs/dbraw/zinc/06/15/24/193061524.db2.gz VYMGOPXRMIPBCS-ABAIWWIYSA-N 1 0 311.267 3.317 10 0 DGAERO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)n1 ZINC000091685478 193092295 /nfs/dbraw/zinc/09/22/95/193092295.db2.gz KQQQWYMWYIPKSB-DLBZAZTESA-N 1 0 313.445 3.397 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246207157 432107020 /nfs/dbraw/zinc/10/70/20/432107020.db2.gz FOOXEBJNQQQNEL-RCCFBDPRSA-N 1 0 302.462 3.292 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3nccs3)C2)c1 ZINC000091726238 193098434 /nfs/dbraw/zinc/09/84/34/193098434.db2.gz DQWQQOIMNYQBCF-KBPBESRZSA-N 1 0 317.458 3.471 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000246204030 432107329 /nfs/dbraw/zinc/10/73/29/432107329.db2.gz MWFVBNRWLPMLDT-XWIAVFTESA-N 1 0 312.413 3.474 10 0 DGAERO COc1ccccc1/C=C/C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000091835694 193115056 /nfs/dbraw/zinc/11/50/56/193115056.db2.gz YMQWBIZUIJUCLR-FNORWQNLSA-N 1 0 313.401 3.279 10 0 DGAERO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246218817 432108726 /nfs/dbraw/zinc/10/87/26/432108726.db2.gz QAWBACCISXFBKM-AWEZNQCLSA-N 1 0 317.458 3.382 10 0 DGAERO CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451575088 241180125 /nfs/dbraw/zinc/18/01/25/241180125.db2.gz WVQKSNCIZYBUCI-HIFRSBDPSA-N 1 0 312.251 3.255 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1C ZINC000451443572 241126006 /nfs/dbraw/zinc/12/60/06/241126006.db2.gz ZOSRHZZEOPYJIG-KRWDZBQOSA-N 1 0 311.372 3.016 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC000246225777 432109440 /nfs/dbraw/zinc/10/94/40/432109440.db2.gz FGCNQUKTIANUIP-SOLBZPMBSA-N 1 0 302.462 3.415 10 0 DGAERO C[C@H]1CN(C(=O)CC/C=C\c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000452173102 241339944 /nfs/dbraw/zinc/33/99/44/241339944.db2.gz LZEOLVRAGCOYDV-VWTAQGJOSA-N 1 0 312.457 3.423 10 0 DGAERO O[C@@H]1[C@H](C[NH2+][C@H](C2CC2)C2CCCC2)CCC12CCOCC2 ZINC000453221875 241676423 /nfs/dbraw/zinc/67/64/23/241676423.db2.gz RVXQBKVHIDJNQS-OKZBNKHCSA-N 1 0 307.478 3.113 10 0 DGAERO OCCC1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000189998041 432111960 /nfs/dbraw/zinc/11/19/60/432111960.db2.gz WDKCESSOZOHKSR-UHFFFAOYSA-N 1 0 308.853 3.192 10 0 DGAERO C[C@@H](CCc1ccccc1F)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246253710 432112282 /nfs/dbraw/zinc/11/22/82/432112282.db2.gz XEDXGSPUJCFPIJ-RDJZCZTQSA-N 1 0 318.436 3.091 10 0 DGAERO CC/C=C/CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000455296506 242161495 /nfs/dbraw/zinc/16/14/95/242161495.db2.gz IQUPUBWTNJDQRN-WIJLQKJISA-N 1 0 321.490 3.396 10 0 DGAERO CC(C)[NH+](CCCNC(=O)c1scnc1C1CC1)C(C)C ZINC000089846273 283969299 /nfs/dbraw/zinc/96/92/99/283969299.db2.gz HJYRUKNKZAPUCY-UHFFFAOYSA-N 1 0 309.479 3.259 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2cccc(C)c2)C[C@@H]1CC ZINC000181095226 432114228 /nfs/dbraw/zinc/11/42/28/432114228.db2.gz ZVOYRLAZAIRXNV-FQEVSTJZSA-N 1 0 318.505 3.360 10 0 DGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027189 283980822 /nfs/dbraw/zinc/98/08/22/283980822.db2.gz JKMTYSVGWWDFDK-OAHLLOKOSA-N 1 0 318.461 3.355 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn2cc(Cl)ccc2n1 ZINC000246278331 432114519 /nfs/dbraw/zinc/11/45/19/432114519.db2.gz NHTPWPADASSUHF-CVEARBPZSA-N 1 0 318.852 3.046 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000090938809 283996121 /nfs/dbraw/zinc/99/61/21/283996121.db2.gz YPRMMIVHWAAVJD-HOTGVXAUSA-N 1 0 321.424 3.444 10 0 DGAERO CCC(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246273224 432115577 /nfs/dbraw/zinc/11/55/77/432115577.db2.gz MWGPVTZQLOABRA-BBRMVZONSA-N 1 0 317.433 3.226 10 0 DGAERO CCC[C@H](C(=O)N1CC=C(c2cccc(C)c2)CC1)[NH+](C)C ZINC000092695265 284008105 /nfs/dbraw/zinc/00/81/05/284008105.db2.gz QBPDRPVTOGMLTO-GOSISDBHSA-N 1 0 300.446 3.341 10 0 DGAERO Cc1nc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)sc1C ZINC000091630079 284002842 /nfs/dbraw/zinc/00/28/42/284002842.db2.gz CWTNTKZMTMHZCF-ZDUSSCGKSA-N 1 0 317.462 3.066 10 0 DGAERO COc1cc(C[NH+]2CCC(OCC(C)C)CC2)cc(OC)c1 ZINC000092223151 193176344 /nfs/dbraw/zinc/17/63/44/193176344.db2.gz LZQYEVKXASNJGC-UHFFFAOYSA-N 1 0 307.434 3.341 10 0 DGAERO Clc1ccccc1OCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185488 284043379 /nfs/dbraw/zinc/04/33/79/284043379.db2.gz HVJOGNXTZYBFTE-UHFFFAOYSA-N 1 0 319.836 3.328 10 0 DGAERO CCC[N@@H+](CC(=O)Nc1ccccc1CC)C[C@H]1CCCCO1 ZINC000106866994 284050330 /nfs/dbraw/zinc/05/03/30/284050330.db2.gz ZSTWWBZKYHIWHV-QGZVFWFLSA-N 1 0 318.461 3.469 10 0 DGAERO Cc1ccccc1CCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107529639 284056100 /nfs/dbraw/zinc/05/61/00/284056100.db2.gz ROCDLPWRRVSZHQ-LJQANCHMSA-N 1 0 314.473 3.405 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000459240961 243297364 /nfs/dbraw/zinc/29/73/64/243297364.db2.gz FZYWZMXDTSWLRN-FUHWJXTLSA-N 1 0 309.498 3.184 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108589087 284062714 /nfs/dbraw/zinc/06/27/14/284062714.db2.gz TZBAXULONQLKTJ-ZIAGYGMSSA-N 1 0 323.868 3.384 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000246312428 432117861 /nfs/dbraw/zinc/11/78/61/432117861.db2.gz DWZIMNCFGOYTIL-IINYFYTJSA-N 1 0 313.804 3.329 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@H](OCC4CC4)C3)C2)cc1 ZINC000459422648 243363620 /nfs/dbraw/zinc/36/36/20/243363620.db2.gz GDOKOZPAURZQPF-PMACEKPBSA-N 1 0 314.473 3.152 10 0 DGAERO CCOc1cccc(CC[NH2+][C@@H]2C[C@@H](OCC)[C@H]2SC)c1 ZINC000459440624 243370400 /nfs/dbraw/zinc/37/04/00/243370400.db2.gz MMYMNQVQNIKDPQ-ZACQAIPSSA-N 1 0 309.475 3.126 10 0 DGAERO COc1ccccc1CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000092972744 193190856 /nfs/dbraw/zinc/19/08/56/193190856.db2.gz SVLOMYHKTPQNTC-UHFFFAOYSA-N 1 0 301.430 3.296 10 0 DGAERO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H](O)COC(C)(C)C)cc1 ZINC000113517897 284102445 /nfs/dbraw/zinc/10/24/45/284102445.db2.gz FFWVXNZSCSHUMS-ROUUACIJSA-N 1 0 305.462 3.178 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@@]2(CC=CCC2)C1)C[NH+]1CCCC1 ZINC000114589833 284109781 /nfs/dbraw/zinc/10/97/81/284109781.db2.gz VCUILYNXORMGDI-MJGOQNOKSA-N 1 0 319.493 3.250 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000114730210 284110800 /nfs/dbraw/zinc/11/08/00/284110800.db2.gz ZTYSHNVBWVFXOW-OAHLLOKOSA-N 1 0 304.434 3.392 10 0 DGAERO C[C@@H](NC(=O)Cc1ccc(Cl)c(F)c1)C(C)(C)C[NH+](C)C ZINC000468361110 244035655 /nfs/dbraw/zinc/03/56/55/244035655.db2.gz IRHUJIVLJAITPB-LLVKDONJSA-N 1 0 314.832 3.114 10 0 DGAERO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000116397378 284120906 /nfs/dbraw/zinc/12/09/06/284120906.db2.gz FXRLEISAKZOYLV-CHWSQXEVSA-N 1 0 310.486 3.384 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CC(F)(F)F)C1(C)C ZINC000469718653 244118783 /nfs/dbraw/zinc/11/87/83/244118783.db2.gz VMEJBWOFVPQDAR-YNEHKIRRSA-N 1 0 311.388 3.215 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000116180738 284119875 /nfs/dbraw/zinc/11/98/75/284119875.db2.gz NEEKXZPFQOUJNG-RHSMWYFYSA-N 1 0 308.441 3.412 10 0 DGAERO COCc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000093104457 193204403 /nfs/dbraw/zinc/20/44/03/193204403.db2.gz HGWVTPBKVIETFK-LJQANCHMSA-N 1 0 324.424 3.070 10 0 DGAERO CCC[N@@H+](Cc1ccc(N2CCCC2)nc1)C[C@H]1CCCCO1 ZINC000093132394 193205609 /nfs/dbraw/zinc/20/56/09/193205609.db2.gz FIABYZBZOZIEHX-GOSISDBHSA-N 1 0 317.477 3.463 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000471785981 244246689 /nfs/dbraw/zinc/24/66/89/244246689.db2.gz GSWRFUPADNCOMR-KBRIMQKVSA-N 1 0 319.449 3.435 10 0 DGAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119050996 284133110 /nfs/dbraw/zinc/13/31/10/284133110.db2.gz WZFXAKQFBPUPSI-VXLLPVPCSA-N 1 0 309.498 3.327 10 0 DGAERO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC[S@](=O)c1ccccc1 ZINC000472331428 244297596 /nfs/dbraw/zinc/29/75/96/244297596.db2.gz XTYAZAGKLZKIBI-AVRDEDQJSA-N 1 0 316.470 3.360 10 0 DGAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000262160770 203214436 /nfs/dbraw/zinc/21/44/36/203214436.db2.gz USSSDETZOGMFDT-UBHSHLNASA-N 1 0 316.367 3.040 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000246328945 432119934 /nfs/dbraw/zinc/11/99/34/432119934.db2.gz KEQMHDIVPPFERG-VXGBXAGGSA-N 1 0 314.882 3.448 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472367287 244301686 /nfs/dbraw/zinc/30/16/86/244301686.db2.gz HUPIHLRIARIXIM-BHIYHBOVSA-N 1 0 314.473 3.341 10 0 DGAERO c1nc2ccccc2n1CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000474041886 244363185 /nfs/dbraw/zinc/36/31/85/244363185.db2.gz WRTGEVWEWBGSQE-YESZJQIVSA-N 1 0 313.445 3.221 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(OC)c1 ZINC000246325798 432120088 /nfs/dbraw/zinc/12/00/88/432120088.db2.gz TWOVLTUTWONUPG-PVAVHDDUSA-N 1 0 303.402 3.001 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000246333282 432120105 /nfs/dbraw/zinc/12/01/05/432120105.db2.gz DVKQSICQTWEEDQ-WXFDERKXSA-N 1 0 300.446 3.197 10 0 DGAERO CC(C)c1ccccc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000474267684 244382023 /nfs/dbraw/zinc/38/20/23/244382023.db2.gz NOKYFFSHLBCIGQ-UHFFFAOYSA-N 1 0 318.461 3.423 10 0 DGAERO CC[C@@](C)(O)CN1CCc2c(Br)ccc(F)c2C1 ZINC000119493574 284144241 /nfs/dbraw/zinc/14/42/41/284144241.db2.gz HUELQSZXFLARDU-CQSZACIVSA-N 1 0 316.214 3.107 10 0 DGAERO CCN(CC)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119714099 284149936 /nfs/dbraw/zinc/14/99/36/284149936.db2.gz OCSUKZUAWPEQRR-GOSISDBHSA-N 1 0 303.450 3.093 10 0 DGAERO C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)o1 ZINC000262473275 203303621 /nfs/dbraw/zinc/30/36/21/203303621.db2.gz XBRFPFPGMGCBQU-AYMQEEERSA-N 1 0 316.445 3.282 10 0 DGAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181273456 432120564 /nfs/dbraw/zinc/12/05/64/432120564.db2.gz AZZBZUANXQQSQP-HUUCEWRRSA-N 1 0 311.429 3.314 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1CCCN1CCOC)c1cc(C)ccc1OC ZINC000093404823 193245633 /nfs/dbraw/zinc/24/56/33/193245633.db2.gz ZLBACMTYPAFJDM-FUHWJXTLSA-N 1 0 320.477 3.155 10 0 DGAERO CCOCc1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246322684 432120727 /nfs/dbraw/zinc/12/07/27/432120727.db2.gz FRAYNWBQURXTQF-RHSMWYFYSA-N 1 0 319.449 3.073 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)c1 ZINC000093398536 193244047 /nfs/dbraw/zinc/24/40/47/193244047.db2.gz WXJWBOCYJBALLM-AWEZNQCLSA-N 1 0 324.428 3.248 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000120353489 284166929 /nfs/dbraw/zinc/16/69/29/284166929.db2.gz XVHGAGMIQJZZRB-PBHICJAKSA-N 1 0 319.449 3.324 10 0 DGAERO Cc1nn(-c2ccccc2)cc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643855 193280609 /nfs/dbraw/zinc/28/06/09/193280609.db2.gz AOYSGDVZVXSVNX-DNVCBOLYSA-N 1 0 312.461 3.095 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(Cl)ccc1F ZINC000246351422 432120872 /nfs/dbraw/zinc/12/08/72/432120872.db2.gz HVJUEZIMFRMHFW-PWSUYJOCSA-N 1 0 311.788 3.180 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000093764452 193302013 /nfs/dbraw/zinc/30/20/13/193302013.db2.gz QLGAXZIOADCTPB-UHFFFAOYSA-N 1 0 316.430 3.499 10 0 DGAERO COCCOc1cccc(C[N@H+](C)CCc2ncc(C)s2)c1 ZINC000093773504 193304862 /nfs/dbraw/zinc/30/48/62/193304862.db2.gz OKGGNYYYDKYHKD-UHFFFAOYSA-N 1 0 320.458 3.151 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2c(F)cccc2N2CCCC2)CC[N@@H+]1C ZINC000093645014 193280843 /nfs/dbraw/zinc/28/08/43/193280843.db2.gz KVFGPPBWRWHDSS-JKSUJKDBSA-N 1 0 319.468 3.340 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2cccc3c2OC(C)(C)C3)CC[N@@H+]1C ZINC000093644194 193280949 /nfs/dbraw/zinc/28/09/49/193280949.db2.gz PHNXIXBSFWRBCR-YOEHRIQHSA-N 1 0 302.462 3.315 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000093643690 193281580 /nfs/dbraw/zinc/28/15/80/193281580.db2.gz MZTHOLOMDSJABE-QAPCUYQASA-N 1 0 312.461 3.300 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CCN1C ZINC000093644203 193281626 /nfs/dbraw/zinc/28/16/26/193281626.db2.gz MTYJSYIKNXHQHZ-RHSMWYFYSA-N 1 0 302.462 3.315 10 0 DGAERO CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644629 193282187 /nfs/dbraw/zinc/28/21/87/193282187.db2.gz XZYIBYODTFOANF-NVXWUHKLSA-N 1 0 320.477 3.399 10 0 DGAERO c1cn(-c2ccccc2)nc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000171296121 432120953 /nfs/dbraw/zinc/12/09/53/432120953.db2.gz SPQJAJMEKVRIAT-UHFFFAOYSA-N 1 0 324.472 3.180 10 0 DGAERO COc1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)c2ccccc12 ZINC000120702239 284176287 /nfs/dbraw/zinc/17/62/87/284176287.db2.gz KITVLMMXMPWFJM-UHFFFAOYSA-N 1 0 314.429 3.195 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)nc1 ZINC000094760391 193395590 /nfs/dbraw/zinc/39/55/90/193395590.db2.gz SHQYREBWLVKQKL-LLVKDONJSA-N 1 0 304.777 3.372 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(Cl)ccc1F ZINC000246351407 432121337 /nfs/dbraw/zinc/12/13/37/432121337.db2.gz HVJUEZIMFRMHFW-JQWIXIFHSA-N 1 0 311.788 3.180 10 0 DGAERO COc1c(C)ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1C ZINC000246359006 432122863 /nfs/dbraw/zinc/12/28/63/432122863.db2.gz IGEFNUQSAGXTRI-CJNGLKHVSA-N 1 0 319.449 3.162 10 0 DGAERO Cc1cccc(C)c1OCCC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123408445 284238046 /nfs/dbraw/zinc/23/80/46/284238046.db2.gz KDWXSDRXSZMKTI-QZTJIDSGSA-N 1 0 304.478 3.487 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000123534107 284240505 /nfs/dbraw/zinc/24/05/05/284240505.db2.gz PQPJQPBTFKGFTK-VXGBXAGGSA-N 1 0 317.260 3.365 10 0 DGAERO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)CS1 ZINC000488441327 245192019 /nfs/dbraw/zinc/19/20/19/245192019.db2.gz RXDMUIQXHVJDGK-IMJJTQAJSA-N 1 0 318.486 3.302 10 0 DGAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000123682842 284243438 /nfs/dbraw/zinc/24/34/38/284243438.db2.gz NIFKYEUCHPNOEP-SUMWQHHRSA-N 1 0 308.491 3.362 10 0 DGAERO C[C@@H]1[C@H](CO)CC[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000488807115 245236534 /nfs/dbraw/zinc/23/65/34/245236534.db2.gz OKANBDUTCRJMRD-MNOVXSKESA-N 1 0 304.217 3.075 10 0 DGAERO CC(C)[NH+](CCNC(=O)C(C)(C)c1ccccc1F)C(C)C ZINC000123940237 284248907 /nfs/dbraw/zinc/24/89/07/284248907.db2.gz JLRZFELPFYKISI-UHFFFAOYSA-N 1 0 308.441 3.338 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)Nc1cc(C)cc(OC)c1C ZINC000489776405 245346749 /nfs/dbraw/zinc/34/67/49/245346749.db2.gz UUSXNYVNVJAKOI-UHFFFAOYSA-N 1 0 307.438 3.165 10 0 DGAERO CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000124272558 284256157 /nfs/dbraw/zinc/25/61/57/284256157.db2.gz RGQDAUYPJZWOAT-OAHLLOKOSA-N 1 0 323.506 3.400 10 0 DGAERO Cc1nc(CN(Cc2cccnc2)C2CC2)nc2ccccc12 ZINC000124706689 284263067 /nfs/dbraw/zinc/26/30/67/284263067.db2.gz BGOVNVKADZBTHK-UHFFFAOYSA-N 1 0 304.397 3.498 10 0 DGAERO CC(C)C[C@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125282610 284272766 /nfs/dbraw/zinc/27/27/66/284272766.db2.gz XVKBQHWYVMCLFE-AQFXKWCLSA-N 1 0 309.498 3.184 10 0 DGAERO C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nsc(N(C)C)n1 ZINC000126171078 284296356 /nfs/dbraw/zinc/29/63/56/284296356.db2.gz YIJJQRLLLXUVNO-AAEUAGOBSA-N 1 0 320.437 3.121 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)cc1F ZINC000126179762 284296941 /nfs/dbraw/zinc/29/69/41/284296941.db2.gz YKYNMTYKQJCJJR-PWSUYJOCSA-N 1 0 315.230 3.333 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccsc2Br)[C@@H]2CCO[C@@H]21 ZINC000282489821 217034129 /nfs/dbraw/zinc/03/41/29/217034129.db2.gz QZBGYXOAERMGAQ-AXFHLTTASA-N 1 0 316.264 3.414 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)c(F)cc1Cl ZINC000126384689 284303225 /nfs/dbraw/zinc/30/32/25/284303225.db2.gz CVASJJMDNYGBIS-NSHDSACASA-N 1 0 300.805 3.248 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC2=CCCC2)C1 ZINC000126575150 284309704 /nfs/dbraw/zinc/30/97/04/284309704.db2.gz KXVCPSDBAWPWDH-QGZVFWFLSA-N 1 0 307.482 3.154 10 0 DGAERO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246962523 284320130 /nfs/dbraw/zinc/32/01/30/284320130.db2.gz XOBRBCRYFUDPHH-XYPHTWIQSA-N 1 0 312.413 3.065 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)NCCC1=CCCC1)c1ccccc1 ZINC000127147025 284328960 /nfs/dbraw/zinc/32/89/60/284328960.db2.gz KXDVWKFSRHUDKE-KRWDZBQOSA-N 1 0 301.434 3.089 10 0 DGAERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282714654 217196167 /nfs/dbraw/zinc/19/61/67/217196167.db2.gz LQUYKOOUVFRMJP-GOEBONIOSA-N 1 0 302.418 3.104 10 0 DGAERO Clc1ccc(-c2cc(CN3CC[N@@H+]4CCC[C@H]4C3)on2)cc1 ZINC000246397252 432127077 /nfs/dbraw/zinc/12/70/77/432127077.db2.gz PSNKFOVARUJYOQ-HNNXBMFYSA-N 1 0 317.820 3.275 10 0 DGAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000246408506 432127086 /nfs/dbraw/zinc/12/70/86/432127086.db2.gz MHOKIVQXIBTXHG-CWRNSKLLSA-N 1 0 310.507 3.454 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000127271172 284332917 /nfs/dbraw/zinc/33/29/17/284332917.db2.gz JWIVSCCDXXZLRW-QWHCGFSZSA-N 1 0 318.642 3.496 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(F)c(C)c2)[C@@H](C)C1 ZINC000246426667 432128081 /nfs/dbraw/zinc/12/80/81/432128081.db2.gz MFICPMUPIZSULE-YOEHRIQHSA-N 1 0 321.440 3.006 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCCN1CCC([NH+](C)C)CC1 ZINC000127831444 284353267 /nfs/dbraw/zinc/35/32/67/284353267.db2.gz WLWPSYLTYVJGBG-UHFFFAOYSA-N 1 0 317.477 3.048 10 0 DGAERO C[C@@]1(C[NH2+][C@@H]2CCN(CCc3ccccc3)C2)CCCS1 ZINC000127885215 284355947 /nfs/dbraw/zinc/35/59/47/284355947.db2.gz WXJJRZSJRGOYLI-MSOLQXFVSA-N 1 0 304.503 3.179 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1Br ZINC000127910029 284357243 /nfs/dbraw/zinc/35/72/43/284357243.db2.gz MPMJPQGPLGJUGO-UKRRQHHQSA-N 1 0 312.251 3.398 10 0 DGAERO Cc1ccc(CCC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000181441261 432128594 /nfs/dbraw/zinc/12/85/94/432128594.db2.gz BSNBWQPZJHNJEZ-JKSUJKDBSA-N 1 0 318.461 3.290 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246416072 432128642 /nfs/dbraw/zinc/12/86/42/432128642.db2.gz SGXAMKLPIMNCAC-SOLBZPMBSA-N 1 0 317.477 3.223 10 0 DGAERO CCC[C@H](C(=O)N[C@H](C)c1cccc(OC(F)F)c1)[NH+](C)C ZINC000161592013 197506302 /nfs/dbraw/zinc/50/63/02/197506302.db2.gz CYVXHAQCROGWDI-BXUZGUMPSA-N 1 0 314.376 3.196 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(F)c(C)c2)[C@@H](C)C1 ZINC000246426657 432129323 /nfs/dbraw/zinc/12/93/23/432129323.db2.gz MFICPMUPIZSULE-WMLDXEAASA-N 1 0 321.440 3.006 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+]C(C3CC3)C3CC3)C2)c1 ZINC000128762929 284385922 /nfs/dbraw/zinc/38/59/22/284385922.db2.gz FYQLDFNDVFRNER-INIZCTEOSA-N 1 0 300.446 3.442 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000128920239 284391695 /nfs/dbraw/zinc/39/16/95/284391695.db2.gz DLPOQMZSPLPCLV-HNNXBMFYSA-N 1 0 322.408 3.339 10 0 DGAERO CCCn1ccc2cc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)ccc21 ZINC000171404955 432130411 /nfs/dbraw/zinc/13/04/11/432130411.db2.gz QIMLPPQHTFKSMG-MRXNPFEDSA-N 1 0 314.433 3.219 10 0 DGAERO CC(C)c1nnc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)n1C ZINC000190177477 432130545 /nfs/dbraw/zinc/13/05/45/432130545.db2.gz HRERHLCEHLMHPG-LLVKDONJSA-N 1 0 318.387 3.349 10 0 DGAERO NC(=[NH2+])c1ccc(COc2ccc(Br)cc2)cc1 ZINC000019472148 182124648 /nfs/dbraw/zinc/12/46/48/182124648.db2.gz NYUFADBBAATYPL-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(Cl)c2cccnc12)[S@](C)=O ZINC000129327422 284405754 /nfs/dbraw/zinc/40/57/54/284405754.db2.gz KUPMNVHLNQOKKC-BIBXISHDSA-N 1 0 310.850 3.135 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN2CCC1CC2)c1cccc(Br)c1 ZINC000019946513 182168584 /nfs/dbraw/zinc/16/85/84/182168584.db2.gz AAEQZVYXIKAPBJ-XHDPSFHLSA-N 1 0 309.251 3.194 10 0 DGAERO C[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1cccc(Br)c1 ZINC000019946516 182168981 /nfs/dbraw/zinc/16/89/81/182168981.db2.gz AAEQZVYXIKAPBJ-ABAIWWIYSA-N 1 0 309.251 3.194 10 0 DGAERO [NH3+][C@@H](c1ccc(Br)cc1)c1ccc2c(c1)CCO2 ZINC000019971019 182171658 /nfs/dbraw/zinc/17/16/58/182171658.db2.gz LRVQXXLPVFKXGD-HNNXBMFYSA-N 1 0 304.187 3.432 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)c1ccccc1 ZINC000246455762 432131674 /nfs/dbraw/zinc/13/16/74/432131674.db2.gz UTRLYVQWTJWJKN-OIISXLGYSA-N 1 0 301.434 3.016 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(OC)c2)[C@H](C)C1 ZINC000135649082 432131955 /nfs/dbraw/zinc/13/19/55/432131955.db2.gz CKMWTTHDIWJNDM-DOMZBBRYSA-N 1 0 324.852 3.151 10 0 DGAERO Nc1ccccc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020191831 182195550 /nfs/dbraw/zinc/19/55/50/182195550.db2.gz BLBSTPAMEOHPQY-UHFFFAOYSA-N 1 0 301.821 3.244 10 0 DGAERO [NH3+]C[C@H](c1ccc(Br)o1)N1CCCCCCC1 ZINC000020265458 182200804 /nfs/dbraw/zinc/20/08/04/182200804.db2.gz FFNOSXXVLOHDBR-LLVKDONJSA-N 1 0 301.228 3.308 10 0 DGAERO Cc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc(C)c1F ZINC000134928682 284455442 /nfs/dbraw/zinc/45/54/42/284455442.db2.gz WUZDRIXEJAGEPG-UHFFFAOYSA-N 1 0 306.425 3.293 10 0 DGAERO OCCCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000494459752 246151132 /nfs/dbraw/zinc/15/11/32/246151132.db2.gz YLUZGWAOTVHXBC-KRWDZBQOSA-N 1 0 304.821 3.381 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000246465130 432134874 /nfs/dbraw/zinc/13/48/74/432134874.db2.gz DULNXHGCGMYTCR-IIDMSEBBSA-N 1 0 315.461 3.361 10 0 DGAERO CCC[C@H](C(=O)N(C)Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC000135209574 284466106 /nfs/dbraw/zinc/46/61/06/284466106.db2.gz OYNZFTPPEXDVRK-CQSZACIVSA-N 1 0 300.805 3.168 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000135234654 284467240 /nfs/dbraw/zinc/46/72/40/284467240.db2.gz AMEIOWLBNMMBJH-ZWNOBZJWSA-N 1 0 318.642 3.353 10 0 DGAERO CCC[C@@H](C(=O)Nc1ncc(-c2ccccc2)s1)[NH+](C)C ZINC000135769052 432136141 /nfs/dbraw/zinc/13/61/41/432136141.db2.gz GIZWRXCYDDFINQ-ZDUSSCGKSA-N 1 0 303.431 3.479 10 0 DGAERO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000246500675 432137636 /nfs/dbraw/zinc/13/76/36/432137636.db2.gz HRJGGLLEGZOFCI-IUIKQTSFSA-N 1 0 319.380 3.166 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CCC(C)CC2)[C@@H](C)C1 ZINC000246522292 432139708 /nfs/dbraw/zinc/13/97/08/432139708.db2.gz UXNXSOPDDLUOJU-XGHPGWEVSA-N 1 0 309.498 3.184 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1cccs1 ZINC000035149769 182756602 /nfs/dbraw/zinc/75/66/02/182756602.db2.gz PFRNOFZHUQYZKG-NSHDSACASA-N 1 0 306.456 3.045 10 0 DGAERO CCCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000036954873 182854561 /nfs/dbraw/zinc/85/45/61/182854561.db2.gz IXRMTMABCJWAEV-KBPBESRZSA-N 1 0 312.479 3.344 10 0 DGAERO COCC[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246564514 432143635 /nfs/dbraw/zinc/14/36/35/432143635.db2.gz XIPZJMBCTHABRY-UVBJJODRSA-N 1 0 314.832 3.239 10 0 DGAERO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3)CC2)nn1 ZINC000171549766 432143691 /nfs/dbraw/zinc/14/36/91/432143691.db2.gz GLGVYQODCDDRIJ-HNNXBMFYSA-N 1 0 314.408 3.197 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn2cc(Cl)ccc2n1 ZINC000136078747 432146364 /nfs/dbraw/zinc/14/63/64/432146364.db2.gz NHTPWPADASSUHF-HZPDHXFCSA-N 1 0 318.852 3.046 10 0 DGAERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000190355453 432147170 /nfs/dbraw/zinc/14/71/70/432147170.db2.gz WQXJFJYCUCAGQI-MRXNPFEDSA-N 1 0 322.493 3.223 10 0 DGAERO CC[NH2+]Cc1cc(Br)c(OCC(F)F)c(OC)c1 ZINC000037755610 182924172 /nfs/dbraw/zinc/92/41/72/182924172.db2.gz FPAWFFJGVXZTMT-UHFFFAOYSA-N 1 0 324.165 3.211 10 0 DGAERO Brc1ccccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916524 182936558 /nfs/dbraw/zinc/93/65/58/182936558.db2.gz NXSHHFUTMAZNLR-ZBFHGGJFSA-N 1 0 323.278 3.413 10 0 DGAERO Cc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)cc1C ZINC000040173985 183043109 /nfs/dbraw/zinc/04/31/09/183043109.db2.gz WJHPVWCKAFBYSS-QGZVFWFLSA-N 1 0 307.397 3.293 10 0 DGAERO COCc1nc2cc(C(F)(F)F)ccc2n1CCC[NH+](C)C ZINC000040403994 183062252 /nfs/dbraw/zinc/06/22/52/183062252.db2.gz COTNSQQUZAGPIT-UHFFFAOYSA-N 1 0 315.339 3.153 10 0 DGAERO C[C@@H](c1ccccc1Cl)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000152872774 284645239 /nfs/dbraw/zinc/64/52/39/284645239.db2.gz TUJYBAHKYOMKMB-HNNXBMFYSA-N 1 0 320.864 3.365 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000040502355 183084468 /nfs/dbraw/zinc/08/44/68/183084468.db2.gz QGWHPBXLMMXNNE-LBPRGKRZSA-N 1 0 315.230 3.162 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000040502576 183084643 /nfs/dbraw/zinc/08/46/43/183084643.db2.gz LMVPLKAQLVDYHC-LLVKDONJSA-N 1 0 303.269 3.085 10 0 DGAERO Cc1ccc(Oc2nc[nH+]c(NNC(C)(C)C)c2N)cc1C ZINC000040796709 183135401 /nfs/dbraw/zinc/13/54/01/183135401.db2.gz RVEVUYNMHLTGSI-UHFFFAOYSA-N 1 0 301.394 3.183 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1Cl ZINC000040853853 183142279 /nfs/dbraw/zinc/14/22/79/183142279.db2.gz NBZLNUCNORFXGX-APYUEPQZSA-N 1 0 306.837 3.438 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc2ccc(F)cc2nc1C ZINC000041915801 183224990 /nfs/dbraw/zinc/22/49/90/183224990.db2.gz FVVXDTVZWDBILY-LBPRGKRZSA-N 1 0 317.408 3.142 10 0 DGAERO Cc1ccccc1C[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171611524 432149874 /nfs/dbraw/zinc/14/98/74/432149874.db2.gz DRZQUSXEWPFECW-PXNSSMCTSA-N 1 0 324.468 3.215 10 0 DGAERO CC[N@H+](Cc1ccc(F)c(Br)c1)[C@H](C)COC ZINC000042267466 183248529 /nfs/dbraw/zinc/24/85/29/183248529.db2.gz DZPOYBDOMCYRCG-SNVBAGLBSA-N 1 0 304.203 3.445 10 0 DGAERO CCC(CC)[N@H+](CCO)Cc1ccc(Br)cc1 ZINC000042514081 183278619 /nfs/dbraw/zinc/27/86/19/183278619.db2.gz JHECSLCMVQBLFM-UHFFFAOYSA-N 1 0 300.240 3.432 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)ccc1F ZINC000153418677 284670428 /nfs/dbraw/zinc/67/04/28/284670428.db2.gz CTZMJQXWWRMXLV-CQSZACIVSA-N 1 0 322.424 3.278 10 0 DGAERO CSCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246621177 432150403 /nfs/dbraw/zinc/15/04/03/432150403.db2.gz GFUVKQIAMLLKFT-JKSUJKDBSA-N 1 0 312.523 3.243 10 0 DGAERO CCOC(=O)CS[C@@H](c1ccc(Cl)cc1)[C@@H]([NH3+])CC ZINC000042951195 183320905 /nfs/dbraw/zinc/32/09/05/183320905.db2.gz HOINUTIOAXEMQS-JSGCOSHPSA-N 1 0 301.839 3.415 10 0 DGAERO [NH3+]C[C@H](Sc1ncccn1)c1ccc(Br)cc1 ZINC000042959145 183323823 /nfs/dbraw/zinc/32/38/23/183323823.db2.gz AKWNPVUYVPXUSU-NSHDSACASA-N 1 0 310.220 3.031 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1cccc(C)c1)n1cc(Br)cn1 ZINC000042967835 183324540 /nfs/dbraw/zinc/32/45/40/183324540.db2.gz VCZSUESEFYLOPU-KBPBESRZSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)n1cc(Br)cn1 ZINC000043016834 183327884 /nfs/dbraw/zinc/32/78/84/183327884.db2.gz DPEGYFTZEQSELS-QPUJVOFHSA-N 1 0 314.614 3.236 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)n1ccnc1C ZINC000043022063 183329367 /nfs/dbraw/zinc/32/93/67/183329367.db2.gz KDQJLYSNYXAIEW-UONOGXRCSA-N 1 0 308.223 3.281 10 0 DGAERO CCOCCO[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043022860 183330431 /nfs/dbraw/zinc/33/04/31/183330431.db2.gz SZHIXFUVHMVWOI-KGLIPLIRSA-N 1 0 316.239 3.281 10 0 DGAERO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccs1 ZINC000043290330 183351103 /nfs/dbraw/zinc/35/11/03/183351103.db2.gz MRGMBDJBHGMHKM-AWEZNQCLSA-N 1 0 321.490 3.327 10 0 DGAERO CC[C@H]([NH3+])[C@H](SCCC(=O)OC)c1ccccc1Cl ZINC000043089881 183335176 /nfs/dbraw/zinc/33/51/76/183335176.db2.gz HSCIHLUSBLLOQC-GXTWGEPZSA-N 1 0 301.839 3.415 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)n1ccnc1C ZINC000043093690 183336486 /nfs/dbraw/zinc/33/64/86/183336486.db2.gz OKGJRGDIFNOQIE-KBPBESRZSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cc(Br)cs1 ZINC000043687682 183381477 /nfs/dbraw/zinc/38/14/77/183381477.db2.gz CERFMAVPNZKVQP-NXEZZACHSA-N 1 0 303.269 3.070 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000246904177 284695476 /nfs/dbraw/zinc/69/54/76/284695476.db2.gz KKIKZHKTHOXQDG-SZMVWBNQSA-N 1 0 306.494 3.393 10 0 DGAERO O=C(c1cccc2c1CCC2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529339 284707145 /nfs/dbraw/zinc/70/71/45/284707145.db2.gz MEUYHNFLZSKYMD-KRWDZBQOSA-N 1 0 312.457 3.266 10 0 DGAERO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000104710165 194028952 /nfs/dbraw/zinc/02/89/52/194028952.db2.gz WUKSJIVKCYRGLY-INIZCTEOSA-N 1 0 320.477 3.203 10 0 DGAERO COc1cccc(C[C@H]([NH2+][C@H]2Cc3ccccc3[C@@H]2O)C2CC2)c1 ZINC000179024078 284732839 /nfs/dbraw/zinc/73/28/39/284732839.db2.gz COAQTKBUGLXEBF-ACRUOGEOSA-N 1 0 323.436 3.264 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000105251163 194089740 /nfs/dbraw/zinc/08/97/40/194089740.db2.gz RYGMLGMOGCWJEA-IRXDYDNUSA-N 1 0 319.424 3.012 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184258839 284746830 /nfs/dbraw/zinc/74/68/30/284746830.db2.gz LRONCRZZLMIMDG-CABCVRRESA-N 1 0 307.401 3.383 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000105873570 194152484 /nfs/dbraw/zinc/15/24/84/194152484.db2.gz WPMBMFAOJASNAO-SMDDNHRTSA-N 1 0 304.825 3.160 10 0 DGAERO Cn1ccnc1CC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000105876096 194153261 /nfs/dbraw/zinc/15/32/61/194153261.db2.gz RJVPSIRSWDHJGH-UHFFFAOYSA-N 1 0 305.372 3.153 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000105896694 194162257 /nfs/dbraw/zinc/16/22/57/194162257.db2.gz XQXMZOZTKJEVAZ-CQSZACIVSA-N 1 0 310.401 3.424 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000106210958 194189724 /nfs/dbraw/zinc/18/97/24/194189724.db2.gz PFUVZBKNLOFWDD-KRWDZBQOSA-N 1 0 317.408 3.392 10 0 DGAERO C[N@@H+](Cc1ccccc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106162713 194189912 /nfs/dbraw/zinc/18/99/12/194189912.db2.gz KVIHTCGBBYSDKY-QGZVFWFLSA-N 1 0 316.470 3.253 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](CCCOc3ccc(F)cc3)C2)c1 ZINC000106223323 194191088 /nfs/dbraw/zinc/19/10/88/194191088.db2.gz JRORQHOYIOUWOY-KRWDZBQOSA-N 1 0 317.408 3.437 10 0 DGAERO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000190912991 284778655 /nfs/dbraw/zinc/77/86/55/284778655.db2.gz HMMXIMBTSBJJKP-QWRGUYRKSA-N 1 0 302.187 3.245 10 0 DGAERO c1c2ccccc2sc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285169357 218318621 /nfs/dbraw/zinc/31/86/21/218318621.db2.gz BAHNOIUIIRQQBD-QGZVFWFLSA-N 1 0 303.427 3.283 10 0 DGAERO CC(C)c1nc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000107524086 194255834 /nfs/dbraw/zinc/25/58/34/194255834.db2.gz HTPZJEKYTJUUOZ-AWEZNQCLSA-N 1 0 321.490 3.357 10 0 DGAERO C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245432154 284808614 /nfs/dbraw/zinc/80/86/14/284808614.db2.gz BCEISUCHFASNSZ-CABCVRRESA-N 1 0 320.481 3.236 10 0 DGAERO CC[NH2+][C@H]1CCN(Cc2ccc(Br)cc2)C[C@@H]1C ZINC000049712358 183755245 /nfs/dbraw/zinc/75/52/45/183755245.db2.gz VGNQDULZYJZDLR-WFASDCNBSA-N 1 0 311.267 3.269 10 0 DGAERO COc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1C ZINC000107523420 194255956 /nfs/dbraw/zinc/25/59/56/194255956.db2.gz ONZCCEUSZNHWPN-KRWDZBQOSA-N 1 0 316.445 3.094 10 0 DGAERO Cc1ccnc(S[C@@H](C[NH3+])c2cccc(Br)c2)n1 ZINC000051331398 183823654 /nfs/dbraw/zinc/82/36/54/183823654.db2.gz QDBJDWUQAOIRTE-LBPRGKRZSA-N 1 0 324.247 3.340 10 0 DGAERO CCN1CC[C@H]([NH2+][C@H](C)COC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246018026 284861937 /nfs/dbraw/zinc/86/19/37/284861937.db2.gz LDDFIZXFXQIIPG-XFBWCDHKSA-N 1 0 314.832 3.239 10 0 DGAERO Cc1ccc(CC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)s1 ZINC000057047390 184025997 /nfs/dbraw/zinc/02/59/97/184025997.db2.gz LLLXXVYEASOKAM-INIZCTEOSA-N 1 0 320.433 3.157 10 0 DGAERO [NH3+]CCCNc1nc(-c2ccc(Cl)cc2)nc2c1CCC2 ZINC000057328856 184033376 /nfs/dbraw/zinc/03/33/76/184033376.db2.gz SGPZGYYKCIEDQR-UHFFFAOYSA-N 1 0 302.809 3.046 10 0 DGAERO COc1ccc(OC)c([C@@H](C[NH3+])Nc2cccc(Cl)c2)c1 ZINC000057637726 184043552 /nfs/dbraw/zinc/04/35/52/184043552.db2.gz FJMWSQSBQLYRLF-OAHLLOKOSA-N 1 0 306.793 3.469 10 0 DGAERO C[C@@H]([C@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 ZINC000246273213 284881354 /nfs/dbraw/zinc/88/13/54/284881354.db2.gz AVPZJMFIRUYKOZ-OBJOEFQTSA-N 1 0 320.399 3.344 10 0 DGAERO Nc1cccc2c1C[N@@H+](C1CCN(Cc3ccccc3)CC1)C2 ZINC000058010797 184066658 /nfs/dbraw/zinc/06/66/58/184066658.db2.gz DZUDLLXVULKBMY-UHFFFAOYSA-N 1 0 307.441 3.249 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000246445620 284897204 /nfs/dbraw/zinc/89/72/04/284897204.db2.gz LDSXOOLRVMFPAA-XGUBFFRZSA-N 1 0 322.399 3.057 10 0 DGAERO c1coc(-c2nc(CN3CCC[N@@H+](C4CC4)CC3)cs2)c1 ZINC000061040989 184160412 /nfs/dbraw/zinc/16/04/12/184160412.db2.gz KRHOXVYPFKOUCD-UHFFFAOYSA-N 1 0 303.431 3.073 10 0 DGAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000061273898 184167985 /nfs/dbraw/zinc/16/79/85/184167985.db2.gz TXWGQKHIJLWIKO-QWRGUYRKSA-N 1 0 313.239 3.014 10 0 DGAERO CC(C)(C)c1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061605892 184177537 /nfs/dbraw/zinc/17/75/37/184177537.db2.gz JNESNOGTVMXJMY-UHFFFAOYSA-N 1 0 300.446 3.294 10 0 DGAERO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000061612686 184178671 /nfs/dbraw/zinc/17/86/71/184178671.db2.gz NKAOSNZDGHMLFY-WBMJQRKESA-N 1 0 302.805 3.260 10 0 DGAERO Fc1ccc(-c2c[nH]c(CC[NH2+]C3CC3)n2)cc1Br ZINC000061689833 184183114 /nfs/dbraw/zinc/18/31/14/184183114.db2.gz WEPKZVIYFXRCKV-UHFFFAOYSA-N 1 0 324.197 3.273 10 0 DGAERO C[C@@H]([NH3+])c1ccc(OC2CCOCC2)c(Br)c1 ZINC000061699678 184183999 /nfs/dbraw/zinc/18/39/99/184183999.db2.gz CPUKJFXKHIZQBR-SECBINFHSA-N 1 0 300.196 3.027 10 0 DGAERO C[C@@H]([NH3+])Cc1ccc(OCc2cccnc2)c(Br)c1 ZINC000062704219 184248701 /nfs/dbraw/zinc/24/87/01/184248701.db2.gz DOGILVYTJDXIMO-LLVKDONJSA-N 1 0 321.218 3.313 10 0 DGAERO Brc1ccc(N2CC[NH2+]Cc3ccccc32)nc1 ZINC000062819170 184254213 /nfs/dbraw/zinc/25/42/13/184254213.db2.gz GBDDOQCKBUMDGY-UHFFFAOYSA-N 1 0 304.191 3.085 10 0 DGAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000063211228 184278307 /nfs/dbraw/zinc/27/83/07/184278307.db2.gz PLSVOCBTWMTGSY-NWDGAFQWSA-N 1 0 301.217 3.383 10 0 DGAERO Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000063022321 184267343 /nfs/dbraw/zinc/26/73/43/184267343.db2.gz OVTFKXGVGGVMDH-ZBFHGGJFSA-N 1 0 306.837 3.253 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1Cl ZINC000112549877 194485392 /nfs/dbraw/zinc/48/53/92/194485392.db2.gz GFFMELBDTZVZLU-KBPBESRZSA-N 1 0 316.836 3.450 10 0 DGAERO CC(C)Cn1cncc1C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000065374400 184331234 /nfs/dbraw/zinc/33/12/34/184331234.db2.gz CQXMLINVPUQBRN-INIZCTEOSA-N 1 0 316.424 3.047 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116541005 194754654 /nfs/dbraw/zinc/75/46/54/194754654.db2.gz BCNAQRJOYNQDHD-MRXNPFEDSA-N 1 0 319.449 3.248 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000116762518 194767866 /nfs/dbraw/zinc/76/78/66/194767866.db2.gz YBYAIIDNMNRHJE-GFCCVEGCSA-N 1 0 305.397 3.076 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000248583157 285007900 /nfs/dbraw/zinc/00/79/00/285007900.db2.gz WPLMMVZSPVCXRU-PMPSAXMXSA-N 1 0 303.512 3.252 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000195179367 207647543 /nfs/dbraw/zinc/64/75/43/207647543.db2.gz PFMPBEWVYQOSNV-RTBURBONSA-N 1 0 320.477 3.067 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000245579653 207660795 /nfs/dbraw/zinc/66/07/95/207660795.db2.gz GQQHOMPDMAUAIR-RZAIGCCYSA-N 1 0 317.383 3.456 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc2c(c1)OCCCO2 ZINC000248157927 207670822 /nfs/dbraw/zinc/67/08/22/207670822.db2.gz RRCJBCXGQBMUDO-GGBBIFEXSA-N 1 0 317.429 3.312 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000248696468 285018351 /nfs/dbraw/zinc/01/83/51/285018351.db2.gz AHXPTMWAFLCHOH-GNXNZQSNSA-N 1 0 322.355 3.354 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccc(C)cc1 ZINC000175008699 252685108 /nfs/dbraw/zinc/68/51/08/252685108.db2.gz XNRPYUSFCBEHIF-ZWKOTPCHSA-N 1 0 300.446 3.013 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc21 ZINC000175806060 252695932 /nfs/dbraw/zinc/69/59/32/252695932.db2.gz UBJQRPRTWGZBLQ-GFCCVEGCSA-N 1 0 319.424 3.322 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(-c2cccnc2)cc1 ZINC000181316713 252744652 /nfs/dbraw/zinc/74/46/52/252744652.db2.gz BGJOZZPGQGNKEV-PBHICJAKSA-N 1 0 310.397 3.352 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248852904 285031978 /nfs/dbraw/zinc/03/19/78/285031978.db2.gz COSIFPHMNXUIIG-CHWSQXEVSA-N 1 0 320.399 3.298 10 0 DGAERO COC[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000119698254 195019738 /nfs/dbraw/zinc/01/97/38/195019738.db2.gz KHYAUSIJHWSIII-RBUKOAKNSA-N 1 0 302.462 3.056 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000119695454 195019931 /nfs/dbraw/zinc/01/99/31/195019931.db2.gz OMQHMIQJADYOJH-CJNGLKHVSA-N 1 0 315.392 3.159 10 0 DGAERO Cc1cc(C)n(C[C@H]2C[N@H+](C[C@H]3C(C)=CCC[C@@H]3C)CCO2)n1 ZINC000249104242 285055697 /nfs/dbraw/zinc/05/56/97/285055697.db2.gz QDLJSRPEXJIJEV-IPELMVKDSA-N 1 0 317.477 3.193 10 0 DGAERO COCC[NH+](CCOC)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000120010569 195079853 /nfs/dbraw/zinc/07/98/53/195079853.db2.gz UXUZJUTYPQCFGF-LBPRGKRZSA-N 1 0 321.339 3.241 10 0 DGAERO COCC[NH+](CCOC)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000120010733 195079982 /nfs/dbraw/zinc/07/99/82/195079982.db2.gz UXUZJUTYPQCFGF-GFCCVEGCSA-N 1 0 321.339 3.241 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ncc(C(C)C)s2)[C@@H](C)C1 ZINC000249086853 285053730 /nfs/dbraw/zinc/05/37/30/285053730.db2.gz SHVAOPXRVLKTGY-STQMWFEESA-N 1 0 324.494 3.461 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000249096564 285054983 /nfs/dbraw/zinc/05/49/83/285054983.db2.gz OMHOJPURQSWYTF-DGCLKSJQSA-N 1 0 314.351 3.100 10 0 DGAERO CC(C)[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000120098536 195096813 /nfs/dbraw/zinc/09/68/13/195096813.db2.gz BIBYRNAGOVUGES-CABCVRRESA-N 1 0 323.506 3.304 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccncc2OC)C[C@@H]1C ZINC000249198262 285063434 /nfs/dbraw/zinc/06/34/34/285063434.db2.gz RUQVZTVDPKCISV-LJISPDSOSA-N 1 0 320.433 3.109 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000249435120 285073784 /nfs/dbraw/zinc/07/37/84/285073784.db2.gz KOOBJISICRWTSS-NJAFHUGGSA-N 1 0 323.502 3.153 10 0 DGAERO COC(=O)c1ccc(C[NH2+]CCCCF)c(Br)c1 ZINC000336791664 253000603 /nfs/dbraw/zinc/00/06/03/253000603.db2.gz OKIZXOHVFZJRDT-UHFFFAOYSA-N 1 0 318.186 3.075 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000336784956 253000684 /nfs/dbraw/zinc/00/06/84/253000684.db2.gz ALJRTKSRFWDQEV-GWCFXTLKSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000336793896 253001783 /nfs/dbraw/zinc/00/17/83/253001783.db2.gz YVZNVAZZYGCBBB-BXKDBHETSA-N 1 0 312.207 3.108 10 0 DGAERO c1ccc2sc(C3CN(CC[NH+]4CCCCC4)C3)nc2c1 ZINC000336839654 253005491 /nfs/dbraw/zinc/00/54/91/253005491.db2.gz KSJFHDPEPFTLSU-UHFFFAOYSA-N 1 0 301.459 3.181 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1)C(C)C ZINC000249749477 285086989 /nfs/dbraw/zinc/08/69/89/285086989.db2.gz PXQOKALOJLWHIA-CRAIPNDOSA-N 1 0 318.461 3.214 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3c2cccc3Cl)C1 ZINC000249779764 285088697 /nfs/dbraw/zinc/08/86/97/285088697.db2.gz PDTALMARIMZFJT-WBMJQRKESA-N 1 0 321.852 3.111 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC[C@H]1C ZINC000251945329 285100132 /nfs/dbraw/zinc/10/01/32/285100132.db2.gz UXUJRTWPQPVFCG-ATZDWAIDSA-N 1 0 319.445 3.101 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(C(=O)OC(C)C)cc2)CC[C@H]1C ZINC000251942349 285100137 /nfs/dbraw/zinc/10/01/37/285100137.db2.gz UTGQEVUTEARPGG-RHSMWYFYSA-N 1 0 305.418 3.109 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000252746115 285104874 /nfs/dbraw/zinc/10/48/74/285104874.db2.gz PVYFHFRZIFMQLN-NZVBXONLSA-N 1 0 310.235 3.073 10 0 DGAERO CC(C)c1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252442067 285102566 /nfs/dbraw/zinc/10/25/66/285102566.db2.gz GDYRVQMWXKKDMV-YJBOKZPZSA-N 1 0 315.461 3.361 10 0 DGAERO CS[C@H](C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000252785036 285105448 /nfs/dbraw/zinc/10/54/48/285105448.db2.gz UNRXNKRFVZEUQT-MCIONIFRSA-N 1 0 316.511 3.363 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000253549784 285110371 /nfs/dbraw/zinc/11/03/71/285110371.db2.gz WJJYMZNRWGWEQN-OLMNPRSZSA-N 1 0 318.436 3.090 10 0 DGAERO CC(C)C[C@@H](CNC(=O)C/C=C\c1ccc(F)cc1)[NH+](C)C ZINC000254928352 285113166 /nfs/dbraw/zinc/11/31/66/285113166.db2.gz XXYKCAAZVZKQAV-OSJSJHBBSA-N 1 0 306.425 3.322 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)o1 ZINC000159215107 197336919 /nfs/dbraw/zinc/33/69/19/197336919.db2.gz QQWWHUWSMPHVMX-YOEHRIQHSA-N 1 0 314.429 3.192 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ncc(C)c(OC)c1C ZINC000159201375 197334988 /nfs/dbraw/zinc/33/49/88/197334988.db2.gz RFAMOBISRRVUKF-UHFFFAOYSA-N 1 0 305.447 3.228 10 0 DGAERO C[C@H](F)CC[NH2+]Cc1cccc(I)c1 ZINC000339488666 253477187 /nfs/dbraw/zinc/47/71/87/253477187.db2.gz BJMKAGWINLAOFO-VIFPVBQESA-N 1 0 307.150 3.129 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C/C=C\c2cccc(F)c2)[C@@H](C)C1 ZINC000255232162 285139356 /nfs/dbraw/zinc/13/93/56/285139356.db2.gz PWHRHJKWSGVMRT-DEBUZZNISA-N 1 0 318.436 3.418 10 0 DGAERO O=C(NC/C=C\c1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000255263012 285139914 /nfs/dbraw/zinc/13/99/14/285139914.db2.gz KQQOMPIDZFHWFA-VOCYLRNQSA-N 1 0 312.457 3.471 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C/C=C\c2ccc(F)cc2)[C@@H](C)C1 ZINC000255339042 285148072 /nfs/dbraw/zinc/14/80/72/285148072.db2.gz IJDFIOULZMYFBW-YMTSHVIYSA-N 1 0 318.436 3.418 10 0 DGAERO C[C@H]1CCCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000255339759 285148124 /nfs/dbraw/zinc/14/81/24/285148124.db2.gz ZGRJFPDKBQMITB-ZSNVMCELSA-N 1 0 307.482 3.127 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2C)[C@H](C)C1 ZINC000158417986 197270862 /nfs/dbraw/zinc/27/08/62/197270862.db2.gz FLFCLQWGRKKDLB-CZUORRHYSA-N 1 0 308.853 3.451 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)ccc1F ZINC000158236974 533120604 /nfs/dbraw/zinc/12/06/04/533120604.db2.gz UHUAAPJVSCTBFB-CZUORRHYSA-N 1 0 303.377 3.089 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342819827 254058555 /nfs/dbraw/zinc/05/85/55/254058555.db2.gz DOVJDHDYUGKEAK-JKSUJKDBSA-N 1 0 315.442 3.349 10 0 DGAERO CCc1oc(C(=O)OC)cc1C[N@H+](C)CCc1ncc(C)s1 ZINC000157477447 197190285 /nfs/dbraw/zinc/19/02/85/197190285.db2.gz NPLNQQRNPMKBNG-UHFFFAOYSA-N 1 0 322.430 3.068 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CCCC1 ZINC000172234067 533125336 /nfs/dbraw/zinc/12/53/36/533125336.db2.gz CNNYQEXLEMYUQB-WBVHZDCISA-N 1 0 307.482 3.225 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C/C=C\c2ccccc2OC)C1 ZINC000255771050 285179273 /nfs/dbraw/zinc/17/92/73/285179273.db2.gz LHQLRGGKNVLCDL-PXAMLJHWSA-N 1 0 302.462 3.372 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000255728937 285177279 /nfs/dbraw/zinc/17/72/79/285177279.db2.gz FRYBZABYTCZVKE-UUNORDMYSA-N 1 0 300.446 3.387 10 0 DGAERO Cc1ccc(C[N@@H+]2CCCN(Cc3csc(C)n3)CC2)o1 ZINC000157236151 197172569 /nfs/dbraw/zinc/17/25/69/197172569.db2.gz COUJIAALLHCNCT-UHFFFAOYSA-N 1 0 305.447 3.061 10 0 DGAERO COCCC(C)(C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000344707095 254298301 /nfs/dbraw/zinc/29/83/01/254298301.db2.gz ZCZTVGUGMRSPGN-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO O=C(c1cc(Cl)ccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261821279 285193338 /nfs/dbraw/zinc/19/33/38/285193338.db2.gz OEBMCGCAFMZKKO-PHIMTYICSA-N 1 0 313.228 3.065 10 0 DGAERO CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000156766310 197139327 /nfs/dbraw/zinc/13/93/27/197139327.db2.gz YMQBCTDOFINAMF-DLBZAZTESA-N 1 0 320.481 3.150 10 0 DGAERO Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000156668352 197131848 /nfs/dbraw/zinc/13/18/48/197131848.db2.gz PKJQFJLKHHFTDD-OAHLLOKOSA-N 1 0 310.401 3.245 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2cccc(C)c2)o1 ZINC000156477322 197116603 /nfs/dbraw/zinc/11/66/03/197116603.db2.gz FWQUOAPGCCSCFY-OAHLLOKOSA-N 1 0 321.442 3.411 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](c2ccccc2)C2CC2)CC[N@@H+]1C ZINC000156037858 197082391 /nfs/dbraw/zinc/08/23/91/197082391.db2.gz OYQYQUNNNRPOQX-OLMNPRSZSA-N 1 0 300.446 3.121 10 0 DGAERO C[C@H](C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)c1ccc(Cl)s1 ZINC000155501918 197061206 /nfs/dbraw/zinc/06/12/06/197061206.db2.gz SWJUIAXMFAFPBT-AXFHLTTASA-N 1 0 300.855 3.056 10 0 DGAERO OCCC1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000188049646 285252008 /nfs/dbraw/zinc/25/20/08/285252008.db2.gz JJMNWTZEYBRAPS-KRWDZBQOSA-N 1 0 301.430 3.141 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000120412472 195162202 /nfs/dbraw/zinc/16/22/02/195162202.db2.gz JKXQEUZSGKVIJZ-KDOFPFPSSA-N 1 0 315.461 3.369 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)Cc1c(C)nn(C)c1C ZINC000120584562 195194416 /nfs/dbraw/zinc/19/44/16/195194416.db2.gz HVUAIFMKYFYGOR-CHWSQXEVSA-N 1 0 301.434 3.327 10 0 DGAERO COc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1F ZINC000120557003 195189734 /nfs/dbraw/zinc/18/97/34/195189734.db2.gz IHBSHWNCKCBLPV-CRWXNKLISA-N 1 0 322.424 3.273 10 0 DGAERO CC(C)Oc1cccc(C[N@H+](C)C[C@@H](O)COC(C)(C)C)c1 ZINC000120672776 195213250 /nfs/dbraw/zinc/21/32/50/195213250.db2.gz KLBUZHYNZFNIHI-MRXNPFEDSA-N 1 0 309.450 3.082 10 0 DGAERO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCC1=CCCC1 ZINC000152187816 196785164 /nfs/dbraw/zinc/78/51/64/196785164.db2.gz SKVFWZLFNJTZSN-UHFFFAOYSA-N 1 0 321.490 3.322 10 0 DGAERO COc1cccc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000396184467 257103111 /nfs/dbraw/zinc/10/31/11/257103111.db2.gz RZNACCKHAQMIRP-ROUUACIJSA-N 1 0 308.425 3.263 10 0 DGAERO Cc1ccsc1C[N@@H+]1CC[C@@H]2C[C@H](c3ccncn3)O[C@H]2C1 ZINC000253599895 257104656 /nfs/dbraw/zinc/10/46/56/257104656.db2.gz WNYALPVWUZZYGB-BMFZPTHFSA-N 1 0 315.442 3.199 10 0 DGAERO CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000328618265 257264305 /nfs/dbraw/zinc/26/43/05/257264305.db2.gz DMZJUUGFSWUTIN-QAPCUYQASA-N 1 0 317.477 3.091 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(-c3ccoc3)c2)[C@@H](C)C1 ZINC000121040278 195284845 /nfs/dbraw/zinc/28/48/45/195284845.db2.gz KFAARTRDWZLWEW-KSSFIOAISA-N 1 0 312.413 3.405 10 0 DGAERO Cc1nc2cc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc2o1 ZINC000121139970 195298243 /nfs/dbraw/zinc/29/82/43/195298243.db2.gz JRRRUNBQSZDADQ-LLVKDONJSA-N 1 0 318.421 3.234 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)o1 ZINC000121715097 195333825 /nfs/dbraw/zinc/33/38/25/195333825.db2.gz MOOCPCUFXQWTML-INIZCTEOSA-N 1 0 320.458 3.155 10 0 DGAERO C[C@@]1(CNCc2cscn2)CCC[N@@H+]1Cc1ccccc1 ZINC000121804085 195350208 /nfs/dbraw/zinc/35/02/08/195350208.db2.gz YAVVLJNAHNFODR-KRWDZBQOSA-N 1 0 301.459 3.287 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1cccc(CO)c1 ZINC000121838217 195359395 /nfs/dbraw/zinc/35/93/95/195359395.db2.gz CZIBUYHLJXHGCM-HNAYVOBHSA-N 1 0 324.424 3.025 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000121915880 195373174 /nfs/dbraw/zinc/37/31/74/195373174.db2.gz XJQONTDOTFEKII-LRDDRELGSA-N 1 0 300.406 3.018 10 0 DGAERO CCCC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(OC)cc1 ZINC000121935753 195377157 /nfs/dbraw/zinc/37/71/57/195377157.db2.gz YLGSMWYIADOYSP-ZIAGYGMSSA-N 1 0 305.340 3.439 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(C)cc3C)C2)n1 ZINC000121970231 195383301 /nfs/dbraw/zinc/38/33/01/195383301.db2.gz STDZQDJFRKFRKA-SFHVURJKSA-N 1 0 312.461 3.424 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(OCC2CC2)c(F)c1 ZINC000121967840 195383520 /nfs/dbraw/zinc/38/35/20/195383520.db2.gz SRMOTWBBVZSASF-LKFCYVNXSA-N 1 0 321.314 3.188 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)cc1OC ZINC000123115310 195545223 /nfs/dbraw/zinc/54/52/23/195545223.db2.gz VKCLXRYPQLZMNT-GDBMZVCRSA-N 1 0 308.466 3.331 10 0 DGAERO CCc1oc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000124270402 195623155 /nfs/dbraw/zinc/62/31/55/195623155.db2.gz BUTBCCNVEOLCHB-CQSZACIVSA-N 1 0 306.450 3.392 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC000124608389 195659943 /nfs/dbraw/zinc/65/99/43/195659943.db2.gz UIIVYHDFBUFREF-IBGZPJMESA-N 1 0 324.424 3.355 10 0 DGAERO [NH3+]C[C@@H](NC(=O)c1cc2c(s1)CCCC2)C1CCCCC1 ZINC000127375643 195871623 /nfs/dbraw/zinc/87/16/23/195871623.db2.gz KYAYYOUMIWXXNK-CQSZACIVSA-N 1 0 306.475 3.264 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)C1CCCC1 ZINC000184651711 533347172 /nfs/dbraw/zinc/34/71/72/533347172.db2.gz KQPCKMXYEXDWEP-OAHLLOKOSA-N 1 0 300.446 3.003 10 0 DGAERO C[C@@H]([NH2+]Cc1ccsc1Br)[C@H]1CCCOC1 ZINC000309740419 533464890 /nfs/dbraw/zinc/46/48/90/533464890.db2.gz DFIYISPOQXVUDH-KOLCDFICSA-N 1 0 304.253 3.415 10 0 DGAERO C[C@@H]([NH2+]Cc1nc(COc2ccc(F)cc2)no1)C1CCCC1 ZINC000184656681 533468851 /nfs/dbraw/zinc/46/88/51/533468851.db2.gz KSXKKOGTHLVBAR-GFCCVEGCSA-N 1 0 319.380 3.456 10 0 DGAERO CSCCCC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176544756 533536745 /nfs/dbraw/zinc/53/67/45/533536745.db2.gz GULLNQBTGOYFCN-UHFFFAOYSA-N 1 0 300.512 3.004 10 0 DGAERO COc1cccc(OCC[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000178571507 533661391 /nfs/dbraw/zinc/66/13/91/533661391.db2.gz JKJIVWRSGWVJAT-LBPRGKRZSA-N 1 0 303.324 3.348 10 0 DGAERO [NH3+]C[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000019795732 134638044 /nfs/dbraw/zinc/63/80/44/134638044.db2.gz OTWYYBMODBKOQM-SFHVURJKSA-N 1 0 315.848 3.162 10 0 DGAERO CC[N@@H+]1CCC[C@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000066454797 400090483 /nfs/dbraw/zinc/09/04/83/400090483.db2.gz AGWJMQSHAFTORZ-NSHDSACASA-N 1 0 306.360 3.464 10 0 DGAERO CC1(C)[C@@H](c2cc(Br)c(Br)o2)[C@@H]1[NH3+] ZINC000300934429 400100352 /nfs/dbraw/zinc/10/03/52/400100352.db2.gz FUWZTFZTJRPUGH-BQBZGAKWSA-N 1 0 309.001 3.255 10 0 DGAERO CC[NH+](CC)CCOn1c2ccccc2nc1-c1ccccc1 ZINC000002024096 400081225 /nfs/dbraw/zinc/08/12/25/400081225.db2.gz UGVICQZDHVVUGA-UHFFFAOYSA-N 1 0 309.413 3.474 10 0 DGAERO COc1cc2c(cc1OC)[C@H](Cc1ccc(F)cc1)[NH2+]CC2 ZINC000002008466 400081342 /nfs/dbraw/zinc/08/13/42/400081342.db2.gz IGWXUFJDUPHOHK-INIZCTEOSA-N 1 0 301.361 3.272 10 0 DGAERO CC(=O)Nc1ccccc1[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616591927 400178979 /nfs/dbraw/zinc/17/89/79/400178979.db2.gz BKIQSTYQPZQRNB-IBGZPJMESA-N 1 0 309.413 3.098 10 0 DGAERO C[N@@H+]1CCO[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000616593984 400180079 /nfs/dbraw/zinc/18/00/79/400180079.db2.gz NJLYOGWLDTZGLZ-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3cccc4ccncc43)C2)cc1 ZINC000616601000 400181578 /nfs/dbraw/zinc/18/15/78/400181578.db2.gz DZKDOIQDQBGVDA-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CCOC(=O)c1ccccc1[C@@H]1CCOCC[N@@H+]1C(C)(C)C ZINC000616598931 400182000 /nfs/dbraw/zinc/18/20/00/400182000.db2.gz VLDXAIVSUOWFJZ-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO OCCc1cccc([C@@H]2CCOCC[N@@H+]2Cc2ccccc2)c1 ZINC000616599472 400182038 /nfs/dbraw/zinc/18/20/38/400182038.db2.gz ZYEWSFIGDKVFPP-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO Nc1ccc(N(Cc2ccccc2)Cc2ccccc2)[nH+]c1N ZINC000306700133 400126012 /nfs/dbraw/zinc/12/60/12/400126012.db2.gz IXCZFFNFNGNNGX-UHFFFAOYSA-N 1 0 304.397 3.453 10 0 DGAERO Cc1cc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c(C)[nH]1 ZINC000585716862 400133409 /nfs/dbraw/zinc/13/34/09/400133409.db2.gz MYHPPIUXIRRJPL-MRXNPFEDSA-N 1 0 315.417 3.100 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCC[N@H+](CCO)C1 ZINC000616618487 400186403 /nfs/dbraw/zinc/18/64/03/400186403.db2.gz WXWRDJXLLCWYBK-AWEZNQCLSA-N 1 0 320.433 3.205 10 0 DGAERO CC(C)(C)OC(=O)Nc1cccc([C@H]2CCC[N@H+](CCO)C2)c1 ZINC000616618177 400187020 /nfs/dbraw/zinc/18/70/20/400187020.db2.gz QINSGKOYRMFADT-HNNXBMFYSA-N 1 0 320.433 3.205 10 0 DGAERO COc1ccc2c(cc(C(=O)c3ccccc3)n2CC[NH+](C)C)c1 ZINC000013471074 400151045 /nfs/dbraw/zinc/15/10/45/400151045.db2.gz SEWDSGFBRNHRIT-UHFFFAOYSA-N 1 0 322.408 3.443 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3cccc4cccnc43)C2)cc1 ZINC000616631718 400187904 /nfs/dbraw/zinc/18/79/04/400187904.db2.gz FUIJIAFNYSBBCH-IBGZPJMESA-N 1 0 303.409 3.381 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2cccnc2)CC1 ZINC000616626958 400188183 /nfs/dbraw/zinc/18/81/83/400188183.db2.gz AFEKZPGSDKJPBD-HNNXBMFYSA-N 1 0 319.449 3.176 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cc(C)ccn1)c1ccccc1 ZINC000616771624 400222126 /nfs/dbraw/zinc/22/21/26/400222126.db2.gz NAOWWJPECMZHNY-KRWDZBQOSA-N 1 0 312.413 3.420 10 0 DGAERO C[C@H](CNC(=O)c1c[nH]c2cc(Cl)ccc12)[NH+]1CCCC1 ZINC000588920843 400244234 /nfs/dbraw/zinc/24/42/34/400244234.db2.gz GDMTVUBMYRTMOQ-LLVKDONJSA-N 1 0 305.809 3.035 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2ccc3ccncc3c2)cc1 ZINC000616635159 400189832 /nfs/dbraw/zinc/18/98/32/400189832.db2.gz CIUYPNJIKLSYRW-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3ccc4ccccc4n3)C2)cc1 ZINC000616633398 400190192 /nfs/dbraw/zinc/19/01/92/400190192.db2.gz UXIMYMJRRFSEAL-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CCOC(=O)c1ccc([C@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000616637114 400191585 /nfs/dbraw/zinc/19/15/85/400191585.db2.gz SQUGHTCJTZBDRZ-LJQANCHMSA-N 1 0 324.424 3.010 10 0 DGAERO C[N@@H+]1CCCO[C@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616650568 400193021 /nfs/dbraw/zinc/19/30/21/400193021.db2.gz CXAMCARQURGTML-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO C[N@@H+]1CCOC[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616661222 400195893 /nfs/dbraw/zinc/19/58/93/400195893.db2.gz MXBPGHMCQHRPKX-AWEZNQCLSA-N 1 0 306.406 3.079 10 0 DGAERO c1ccc(C[N@@H+]2CCOC[C@@H](c3cc4ccccc4nn3)C2)cc1 ZINC000616658706 400195925 /nfs/dbraw/zinc/19/59/25/400195925.db2.gz CISLCMQOLWWOJZ-SFHVURJKSA-N 1 0 319.408 3.246 10 0 DGAERO OCCc1ccccc1[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616662856 400196706 /nfs/dbraw/zinc/19/67/06/400196706.db2.gz AUZUVCQXKAVNHW-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc2ccccc2n1 ZINC000616678380 400200584 /nfs/dbraw/zinc/20/05/84/400200584.db2.gz GWMRSFBAXATZDA-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cccc2ccncc21 ZINC000616680159 400201624 /nfs/dbraw/zinc/20/16/24/400201624.db2.gz MCKJKWFASQCDKY-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1C[C@H](c2cnc3ccccc3c2)Nc2ccccc21 ZINC000616685637 400204676 /nfs/dbraw/zinc/20/46/76/400204676.db2.gz QWZOUIIDFACAIW-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cc2ccccc2cn1 ZINC000616691689 400206346 /nfs/dbraw/zinc/20/63/46/400206346.db2.gz JFWFSDCDZQJDST-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cccc3ncccc32)Nc2ccccc21 ZINC000616692742 400206934 /nfs/dbraw/zinc/20/69/34/400206934.db2.gz PAJVEZIBPZUBPG-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(O)c1 ZINC000024114413 400217360 /nfs/dbraw/zinc/21/73/60/400217360.db2.gz AQHNHTJTVANTEC-UHFFFAOYSA-N 1 0 324.424 3.226 10 0 DGAERO FC(F)(F)COCC[NH2+]Cc1ccsc1Br ZINC000388455930 400266759 /nfs/dbraw/zinc/26/67/59/400266759.db2.gz CYWFJMGMNRITGZ-UHFFFAOYSA-N 1 0 318.158 3.179 10 0 DGAERO Brc1sccc1C[NH2+]CCCCn1ccnc1 ZINC000388821723 400267645 /nfs/dbraw/zinc/26/76/45/400267645.db2.gz JYJWVQJBVFHCPK-UHFFFAOYSA-N 1 0 314.252 3.277 10 0 DGAERO Cc1ccc(C(=O)N2C[C@@H]([NH3+])CC[C@@H]2C(F)(F)F)cc1Cl ZINC000393281032 400278530 /nfs/dbraw/zinc/27/85/30/400278530.db2.gz YIMCSZCDHABFCR-CMPLNLGQSA-N 1 0 320.742 3.143 10 0 DGAERO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccsc1Br ZINC000393604650 400279644 /nfs/dbraw/zinc/27/96/44/400279644.db2.gz XHEQIYSVMLCDNC-SECBINFHSA-N 1 0 306.269 3.397 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C(C)C)cc2)no1 ZINC000068758057 400285225 /nfs/dbraw/zinc/28/52/25/400285225.db2.gz URTPARUQSATAQJ-CYBMUJFWSA-N 1 0 301.390 3.396 10 0 DGAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccnc(C#N)c1 ZINC000398186713 400287145 /nfs/dbraw/zinc/28/71/45/400287145.db2.gz LOGNAPIWNFJWHV-FQEVSTJZSA-N 1 0 322.456 3.199 10 0 DGAERO CSCCN1CCc2c(F)cc(Br)cc2C1 ZINC000610730013 400297476 /nfs/dbraw/zinc/29/74/76/400297476.db2.gz UKIDDKABTRWREW-UHFFFAOYSA-N 1 0 304.228 3.309 10 0 DGAERO COC1([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CCC2)CCOCC1 ZINC000453082842 292145400 /nfs/dbraw/zinc/14/54/00/292145400.db2.gz HKEIEEAXNBGISN-HNNXBMFYSA-N 1 0 321.436 3.421 10 0 DGAERO c1nn(-c2cc[nH+]cc2)cc1NCC1=Cc2ccccc2OC1 ZINC000589650544 400319722 /nfs/dbraw/zinc/31/97/22/400319722.db2.gz XXKUVUBXAFUDCG-UHFFFAOYSA-N 1 0 304.353 3.155 10 0 DGAERO CCOc1cc(N)cc(Cl)c1OCCC[NH+](CC)CC ZINC000033638681 400383940 /nfs/dbraw/zinc/38/39/40/400383940.db2.gz BURDZRGXJNKJDJ-UHFFFAOYSA-N 1 0 300.830 3.432 10 0 DGAERO O=C(Nc1ccccc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917460 400394846 /nfs/dbraw/zinc/39/48/46/400394846.db2.gz VQJBWXOHDDAXAO-TZMCWYRMSA-N 1 0 307.825 3.336 10 0 DGAERO CC[NH2+]CCOc1c(Br)cccc1Br ZINC000034963734 400388072 /nfs/dbraw/zinc/38/80/72/400388072.db2.gz RUTIPVYLUXVJIE-UHFFFAOYSA-N 1 0 323.028 3.200 10 0 DGAERO CN(CC(=O)NC(C1CC1)C1CC1)Cc1ccc(F)cc1Cl ZINC000107063292 400333814 /nfs/dbraw/zinc/33/38/14/400333814.db2.gz YNERDFLVTHTCPF-UHFFFAOYSA-N 1 0 324.827 3.216 10 0 DGAERO O[C@@H]([C@@H]1CCNc2c1cccc2C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000032229361 400360062 /nfs/dbraw/zinc/36/00/62/400360062.db2.gz PFSVXXXAEPJUHV-ZLDLUXBVSA-N 1 0 314.351 3.108 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000112040481 400370414 /nfs/dbraw/zinc/37/04/14/400370414.db2.gz OWTRYABXJDOIRI-MRXNPFEDSA-N 1 0 302.462 3.246 10 0 DGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)C(C)(C)C ZINC000112463338 400373144 /nfs/dbraw/zinc/37/31/44/400373144.db2.gz ZMNRWANSBNZZOI-CQSZACIVSA-N 1 0 323.456 3.334 10 0 DGAERO COC[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000113034196 400377991 /nfs/dbraw/zinc/37/79/91/400377991.db2.gz BVCJSDGVJGPPLY-FQEVSTJZSA-N 1 0 310.441 3.019 10 0 DGAERO CC[C@@H](C)[C@@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000116757205 400412890 /nfs/dbraw/zinc/41/28/90/400412890.db2.gz ADDAKLWQAVUPOM-CRAIPNDOSA-N 1 0 302.462 3.369 10 0 DGAERO C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C(C)(C)C ZINC000115827906 400401357 /nfs/dbraw/zinc/40/13/57/400401357.db2.gz XPNWVHZVHTYWEO-GFCCVEGCSA-N 1 0 309.429 3.121 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@]2(C)CCCc3ccccc32)CCOCC1 ZINC000453169486 292147649 /nfs/dbraw/zinc/14/76/49/292147649.db2.gz UFPZFSIUMXLDSY-LPHOPBHVSA-N 1 0 317.473 3.454 10 0 DGAERO COc1ccc(C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)c(F)c1 ZINC000117721062 400421252 /nfs/dbraw/zinc/42/12/52/400421252.db2.gz WBOGHEVFNGVPKS-ZDUSSCGKSA-N 1 0 314.360 3.164 10 0 DGAERO CC(C)CO[C@H](C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590717392 400421957 /nfs/dbraw/zinc/42/19/57/400421957.db2.gz HAHUVPJFXRYNPX-QZTJIDSGSA-N 1 0 324.509 3.162 10 0 DGAERO CCC[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590844926 400446307 /nfs/dbraw/zinc/44/63/07/400446307.db2.gz JILLXTRVMADKLG-DLBZAZTESA-N 1 0 309.498 3.473 10 0 DGAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000073619602 400460097 /nfs/dbraw/zinc/46/00/97/400460097.db2.gz DOXHRFHTQSRSLX-GJZGRUSLSA-N 1 0 306.450 3.002 10 0 DGAERO CCC(CC)(C[NH2+]Cc1nc(C)c2ccccc2n1)C(=O)OC ZINC000120852870 400449119 /nfs/dbraw/zinc/44/91/19/400449119.db2.gz YMNLCWPYZLEMMO-UHFFFAOYSA-N 1 0 315.417 3.007 10 0 DGAERO C[C@@]1(CNC(=O)Nc2ccncc2)CCC[N@@H+]1Cc1ccccc1 ZINC000122419428 400461469 /nfs/dbraw/zinc/46/14/69/400461469.db2.gz TUKROMZHDVHCOL-IBGZPJMESA-N 1 0 324.428 3.258 10 0 DGAERO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000043588787 400472711 /nfs/dbraw/zinc/47/27/11/400472711.db2.gz QOMUESVQQKYDDL-XQQFMLRXSA-N 1 0 306.372 3.004 10 0 DGAERO CC(C)c1cccc(OCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124403162 400476033 /nfs/dbraw/zinc/47/60/33/400476033.db2.gz ULOSTVRLLJEZFH-WBVHZDCISA-N 1 0 318.461 3.130 10 0 DGAERO CC(C)[NH+](CCNC(=O)C1(c2ccc(F)cc2)CC1)C(C)C ZINC000044292709 400488652 /nfs/dbraw/zinc/48/86/52/400488652.db2.gz UTNDLLDIFAXUFS-UHFFFAOYSA-N 1 0 306.425 3.092 10 0 DGAERO O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1CCC[NH2+]C1 ZINC000133595031 400571204 /nfs/dbraw/zinc/57/12/04/400571204.db2.gz HWQQOGXLLJJKTI-NSHDSACASA-N 1 0 321.833 3.402 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000134138873 400574261 /nfs/dbraw/zinc/57/42/61/400574261.db2.gz PQBMCIACJOMDSK-LJQANCHMSA-N 1 0 314.473 3.244 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000130430959 400538880 /nfs/dbraw/zinc/53/88/80/400538880.db2.gz JQNDLKNKCANZOO-GJZGRUSLSA-N 1 0 314.433 3.450 10 0 DGAERO Cc1[nH+]c(N)ccc1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000142820498 400632440 /nfs/dbraw/zinc/63/24/40/400632440.db2.gz NLZYSYJSKDUBIV-UHFFFAOYSA-N 1 0 305.422 3.162 10 0 DGAERO COCC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2C(C)C)C1 ZINC000592328189 400635666 /nfs/dbraw/zinc/63/56/66/400635666.db2.gz NREKZOVSONFPPB-OAHLLOKOSA-N 1 0 319.449 3.042 10 0 DGAERO c1cn([C@@H]2CCC[N@@H+](CCSC3CCCCC3)CC2)nn1 ZINC000602894107 400599930 /nfs/dbraw/zinc/59/99/30/400599930.db2.gz YNEGMUNURKYWTQ-OAHLLOKOSA-N 1 0 308.495 3.371 10 0 DGAERO COc1cccc(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1 ZINC000146934282 400651002 /nfs/dbraw/zinc/65/10/02/400651002.db2.gz NRJCAOCPBSXOGP-KRWDZBQOSA-N 1 0 313.397 3.142 10 0 DGAERO C[NH+](C)CCNC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000048545287 400657914 /nfs/dbraw/zinc/65/79/14/400657914.db2.gz FPIXSQLIOCTBIC-CSKARUKUSA-N 1 0 318.804 3.291 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccccc2CC)CC1 ZINC000157656213 400718915 /nfs/dbraw/zinc/71/89/15/400718915.db2.gz GOSBIPYCHKSXRE-UHFFFAOYSA-N 1 0 303.450 3.493 10 0 DGAERO [NH3+]CCC1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000159669048 400731343 /nfs/dbraw/zinc/73/13/43/400731343.db2.gz YRPJLQKFXCTWRX-UHFFFAOYSA-N 1 0 318.646 3.063 10 0 DGAERO CN(C[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CCCc2cccnc21 ZINC000166210720 400753403 /nfs/dbraw/zinc/75/34/03/400753403.db2.gz LIWPNVORVRLEFN-OALUTQOASA-N 1 0 307.441 3.105 10 0 DGAERO CSCCCCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000077339855 400710913 /nfs/dbraw/zinc/71/09/13/400710913.db2.gz LLDYNSSWFHMKMJ-UHFFFAOYSA-N 1 0 315.527 3.083 10 0 DGAERO CN(C)c1ncc(C[NH2+]C2(c3ccccc3)CCCCC2)cn1 ZINC000603723055 400711992 /nfs/dbraw/zinc/71/19/92/400711992.db2.gz UPPJFLVBKXUATQ-UHFFFAOYSA-N 1 0 310.445 3.492 10 0 DGAERO CC(C)(C)NC(=O)CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000358111064 285973508 /nfs/dbraw/zinc/97/35/08/285973508.db2.gz NTMDVAVFMJUWQJ-RDJZCZTQSA-N 1 0 318.461 3.049 10 0 DGAERO C[NH2+][C@H](c1ccccc1I)C1CCC1 ZINC000157311411 400716384 /nfs/dbraw/zinc/71/63/84/400716384.db2.gz PKHGLTVSWYLGCH-LBPRGKRZSA-N 1 0 301.171 3.352 10 0 DGAERO CCn1c(C)nnc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000170835600 400776907 /nfs/dbraw/zinc/77/69/07/400776907.db2.gz HCYRWWLRFUDKSM-XSOSOZTNSA-N 1 0 302.466 3.301 10 0 DGAERO Cc1ccccc1C1(C(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000171021071 400781824 /nfs/dbraw/zinc/78/18/24/400781824.db2.gz MVRPDAUXGDCSCU-MRXNPFEDSA-N 1 0 300.446 3.017 10 0 DGAERO Cc1ccccc1C1(C(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000171021067 400782128 /nfs/dbraw/zinc/78/21/28/400782128.db2.gz MVRPDAUXGDCSCU-INIZCTEOSA-N 1 0 300.446 3.017 10 0 DGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000605523070 400872870 /nfs/dbraw/zinc/87/28/70/400872870.db2.gz SBCLMXQAXGWVQI-CYBMUJFWSA-N 1 0 319.836 3.426 10 0 DGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1csc2ccccc12 ZINC000605522178 400873073 /nfs/dbraw/zinc/87/30/73/400873073.db2.gz MZNBUGNSAVNNDG-HNNXBMFYSA-N 1 0 316.470 3.434 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2ccccc2F)CC1 ZINC000605557424 400874655 /nfs/dbraw/zinc/87/46/55/400874655.db2.gz JMDMDPBNHZGRRX-SFHVURJKSA-N 1 0 318.436 3.406 10 0 DGAERO c1cc2c(ccnc2NC2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000605570390 400875862 /nfs/dbraw/zinc/87/58/62/400875862.db2.gz GJSJCLTYFVWPFL-ZDUSSCGKSA-N 1 0 317.458 3.209 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)C(C)C)c1 ZINC000172482603 400829043 /nfs/dbraw/zinc/82/90/43/400829043.db2.gz UECVEMLQEBUKDT-HNNXBMFYSA-N 1 0 305.466 3.230 10 0 DGAERO C[C@H](CCc1ccccc1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000174179722 400853508 /nfs/dbraw/zinc/85/35/08/400853508.db2.gz BGIATNVRNICHKZ-UYAOXDASSA-N 1 0 316.489 3.194 10 0 DGAERO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2C[C@H]2C)cc1 ZINC000605339641 400853950 /nfs/dbraw/zinc/85/39/50/400853950.db2.gz CHTSFTMDNHMGCD-CABCVRRESA-N 1 0 319.449 3.185 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000174544470 400859439 /nfs/dbraw/zinc/85/94/39/400859439.db2.gz KWUPLXGORCVLMW-ZDUSSCGKSA-N 1 0 311.429 3.034 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(C)C ZINC000181466927 400889050 /nfs/dbraw/zinc/88/90/50/400889050.db2.gz BZFNZLQHKQMEGB-IAGOWNOFSA-N 1 0 324.509 3.207 10 0 DGAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCC2CC2)C1 ZINC000605983788 400890798 /nfs/dbraw/zinc/89/07/98/400890798.db2.gz FWIBXQANLHJBDK-FUHWJXTLSA-N 1 0 321.509 3.473 10 0 DGAERO COc1ccncc1-c1ccnc2[nH]c(C3CC[NH+](C)CC3)cc21 ZINC000220406148 400953269 /nfs/dbraw/zinc/95/32/69/400953269.db2.gz MXXIRDLEGYLLKG-UHFFFAOYSA-N 1 0 322.412 3.443 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000606561486 400928561 /nfs/dbraw/zinc/92/85/61/400928561.db2.gz JEOWJTLVTFERLF-IAGOWNOFSA-N 1 0 317.477 3.128 10 0 DGAERO O[C@@H](C[NH2+]CC1CC=CC1)COc1c(Cl)cccc1Cl ZINC000629607208 400991669 /nfs/dbraw/zinc/99/16/69/400991669.db2.gz OXBFEVKULJKLSZ-LBPRGKRZSA-N 1 0 316.228 3.289 10 0 DGAERO CC(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620191582 401007954 /nfs/dbraw/zinc/00/79/54/401007954.db2.gz DINZRZJILOTGCD-KRWDZBQOSA-N 1 0 300.446 3.061 10 0 DGAERO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccco1 ZINC000620190886 401008145 /nfs/dbraw/zinc/00/81/45/401008145.db2.gz YJKVZUSVNOWSDH-QGZVFWFLSA-N 1 0 324.424 3.312 10 0 DGAERO C[C@H](CNC(=O)c1ccccc1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000057712618 401020601 /nfs/dbraw/zinc/02/06/01/401020601.db2.gz BSVGSAJYTYUVGC-MRXNPFEDSA-N 1 0 322.452 3.490 10 0 DGAERO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000057552098 401012288 /nfs/dbraw/zinc/01/22/88/401012288.db2.gz ULPNXMOPNBYXRP-SYQHCUMBSA-N 1 0 320.399 3.439 10 0 DGAERO C[C@@H]1SCCN(Cc2ccncc2Br)[C@H]1C ZINC000625176379 401049824 /nfs/dbraw/zinc/04/98/24/401049824.db2.gz JAOKNZIHGSQQHI-UWVGGRQHSA-N 1 0 301.253 3.170 10 0 DGAERO c1cncc([C@H]([NH2+]CCOC[C@H]2CCCO2)C2CCCCC2)c1 ZINC000607357964 401050515 /nfs/dbraw/zinc/05/05/15/401050515.db2.gz MLGBSHODRQIZTI-RTBURBONSA-N 1 0 318.461 3.488 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1nnc(-c2ccccc2)o1 ZINC000607364502 401052157 /nfs/dbraw/zinc/05/21/57/401052157.db2.gz JRWKVIWHCBVALX-MYPMTAMASA-N 1 0 313.401 3.201 10 0 DGAERO C[C@H](O)C[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1 ZINC000607359816 401052395 /nfs/dbraw/zinc/05/23/95/401052395.db2.gz STSFDEPZGYAALK-HNNXBMFYSA-N 1 0 303.377 3.088 10 0 DGAERO c1cnn(-c2cncc(-c3cccc(C[C@H]4CC[NH2+]C4)c3)c2)c1 ZINC000629733650 401064005 /nfs/dbraw/zinc/06/40/05/401064005.db2.gz BFAFARSQIPDHJX-MRXNPFEDSA-N 1 0 304.397 3.086 10 0 DGAERO CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000248163279 401067498 /nfs/dbraw/zinc/06/74/98/401067498.db2.gz MWACLVZKWXUDNV-JKSUJKDBSA-N 1 0 313.388 3.107 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621107339 401077079 /nfs/dbraw/zinc/07/70/79/401077079.db2.gz CCBLHBJZAZMYPI-YJBOKZPZSA-N 1 0 322.493 3.010 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000246618089 401033580 /nfs/dbraw/zinc/03/35/80/401033580.db2.gz MPCLCBRQOZAXPP-IAGOWNOFSA-N 1 0 302.462 3.246 10 0 DGAERO C[C@H](O)CN1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C[C@H]1C ZINC000247011317 401042510 /nfs/dbraw/zinc/04/25/10/401042510.db2.gz UEXTWGFSMHNSHG-VEZWFGLTSA-N 1 0 310.526 3.226 10 0 DGAERO CCOCCC[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000607727838 401111183 /nfs/dbraw/zinc/11/11/83/401111183.db2.gz RHVVUKWOVRPHKX-MRXNPFEDSA-N 1 0 302.462 3.329 10 0 DGAERO CCOc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1F ZINC000262366984 401116641 /nfs/dbraw/zinc/11/66/41/401116641.db2.gz XBTAFOPITQQLKS-DFBGVHRSSA-N 1 0 306.381 3.084 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1OC(F)F ZINC000262466825 401117800 /nfs/dbraw/zinc/11/78/00/401117800.db2.gz MHAAFGASHAIYIQ-BNOWGMLFSA-N 1 0 324.371 3.456 10 0 DGAERO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262472837 401117842 /nfs/dbraw/zinc/11/78/42/401117842.db2.gz OUASMHXFKIAASV-DBDQLMEASA-N 1 0 312.457 3.312 10 0 DGAERO CCOc1cccc2cc([C@H](C)NC(=O)[C@H]3CC[C@H]([NH3+])C3)oc21 ZINC000262634740 401119589 /nfs/dbraw/zinc/11/95/89/401119589.db2.gz VXGYFZCHGULQGO-UBHSHLNASA-N 1 0 316.401 3.136 10 0 DGAERO CC(C)COc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262653310 401119670 /nfs/dbraw/zinc/11/96/70/401119670.db2.gz VYXLESQKQGNWRH-IMJJTQAJSA-N 1 0 304.434 3.026 10 0 DGAERO c1ccc([C@@H]2C[N@@H+](CCOC3CCOCC3)[C@@H]3CCC[C@@H]23)cc1 ZINC000625424326 401124794 /nfs/dbraw/zinc/12/47/94/401124794.db2.gz IFGWQSHSXXMIJZ-SLFFLAALSA-N 1 0 315.457 3.450 10 0 DGAERO Cc1ccccc1SCC(=O)NCCC[NH+]1CCCCCC1 ZINC000060635118 401130993 /nfs/dbraw/zinc/13/09/93/401130993.db2.gz YBRXVKCXGACDNC-UHFFFAOYSA-N 1 0 320.502 3.469 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000252961761 401097016 /nfs/dbraw/zinc/09/70/16/401097016.db2.gz OONQPIZIGKYHAR-DGCLKSJQSA-N 1 0 317.260 3.365 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000594748326 401168623 /nfs/dbraw/zinc/16/86/23/401168623.db2.gz JIQJOSFOSWWHHX-OAHLLOKOSA-N 1 0 313.445 3.121 10 0 DGAERO Cc1nc([C@H](C)[NH2+]CC[C@@H]2COc3ccccc3O2)cs1 ZINC000358280739 286019369 /nfs/dbraw/zinc/01/93/69/286019369.db2.gz BQUFAYDMCYIONT-WCQYABFASA-N 1 0 304.415 3.332 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CCCS2)n(CCc2ccccc2)n1 ZINC000621340955 401174141 /nfs/dbraw/zinc/17/41/41/401174141.db2.gz WYPDTCGEMBEAGT-KRWDZBQOSA-N 1 0 301.459 3.111 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000358295518 286023206 /nfs/dbraw/zinc/02/32/06/286023206.db2.gz JTULDJLXDQFMDZ-YPMHNXCESA-N 1 0 317.401 3.319 10 0 DGAERO COc1ccc(C[NH2+]Cc2cccnc2C)c(OC(F)F)c1 ZINC000608060015 401177488 /nfs/dbraw/zinc/17/74/88/401177488.db2.gz WPVPBPHLVKMVCR-UHFFFAOYSA-N 1 0 308.328 3.290 10 0 DGAERO CC(C)[NH+]1CCN(c2ncc(-c3ccc(Cl)cc3)cn2)CC1 ZINC000088343420 401198000 /nfs/dbraw/zinc/19/80/00/401198000.db2.gz IMYSLEUHFKMIND-UHFFFAOYSA-N 1 0 316.836 3.327 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CC=CCC1)COc1c(Cl)cccc1Cl ZINC000088748459 401207944 /nfs/dbraw/zinc/20/79/44/401207944.db2.gz CLBVVHPWPOPKIO-RYUDHWBXSA-N 1 0 316.228 3.431 10 0 DGAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncc(Cl)cc1Br ZINC000630092064 401182470 /nfs/dbraw/zinc/18/24/70/401182470.db2.gz JPYCHRWWFZQJBM-VHSXEESVSA-N 1 0 304.619 3.050 10 0 DGAERO c1ccc(COc2ccnc(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)n2)cc1 ZINC000089590464 401228372 /nfs/dbraw/zinc/22/83/72/401228372.db2.gz UTVSDSMQOVLEOQ-IAGOWNOFSA-N 1 0 324.428 3.094 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc(Br)cn1 ZINC000634686777 401335267 /nfs/dbraw/zinc/33/52/67/401335267.db2.gz RWZGWFGZEVZVJO-CMPLNLGQSA-N 1 0 313.239 3.310 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000621742171 401292076 /nfs/dbraw/zinc/29/20/76/401292076.db2.gz FLFXSDUPALWQQF-BHYGNILZSA-N 1 0 306.837 3.187 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)c2ccccc21 ZINC000621759547 401296282 /nfs/dbraw/zinc/29/62/82/401296282.db2.gz ZNLYJARBBCSXOO-SKDZVZGDSA-N 1 0 302.418 3.032 10 0 DGAERO CC(=O)c1ccc(NC(=O)CN2C[C@@H]3CCCC[C@@]32C)cc1 ZINC000626103916 401300149 /nfs/dbraw/zinc/30/01/49/401300149.db2.gz WUQGNUKJERXYFQ-YJBOKZPZSA-N 1 0 300.402 3.092 10 0 DGAERO c1cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)n(CC2CCC2)n1 ZINC000631168794 401413923 /nfs/dbraw/zinc/41/39/23/401413923.db2.gz KFVYOEMGMPQLSD-ZWKOTPCHSA-N 1 0 303.450 3.121 10 0 DGAERO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000634949488 401386753 /nfs/dbraw/zinc/38/67/53/401386753.db2.gz SEUYBWLJKCXWRK-GFCCVEGCSA-N 1 0 322.257 3.050 10 0 DGAERO CC(C)C1CCC(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634969052 401391154 /nfs/dbraw/zinc/39/11/54/401391154.db2.gz DJTNLVKTBMWNGS-UYSNPLJNSA-N 1 0 301.496 3.006 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]Cc3ccccn3)[C@H]21 ZINC000631191342 401421300 /nfs/dbraw/zinc/42/13/00/401421300.db2.gz GDPUGGQEKJZPEG-NUEKZKHPSA-N 1 0 315.214 3.272 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3nccs3)[C@H]21 ZINC000631193802 401422096 /nfs/dbraw/zinc/42/20/96/401422096.db2.gz PGJUEHFGIBTWSD-GDLCADMTSA-N 1 0 321.243 3.334 10 0 DGAERO c1ccc(CN2CCCCC[C@@H]([NH2+]CC3=CCCOC3)C2)cc1 ZINC000631206422 401425993 /nfs/dbraw/zinc/42/59/93/401425993.db2.gz UNPQUEFYDIMGRK-HXUWFJFHSA-N 1 0 314.473 3.368 10 0 DGAERO c1cn(-c2csc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)c2)cn1 ZINC000631254144 401438482 /nfs/dbraw/zinc/43/84/82/401438482.db2.gz JVWBVRDRUWJXMD-DLBZAZTESA-N 1 0 317.458 3.371 10 0 DGAERO Cc1scc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1C ZINC000358413679 286055340 /nfs/dbraw/zinc/05/53/40/286055340.db2.gz IYKQNBRKKUXERI-UHFFFAOYSA-N 1 0 306.475 3.455 10 0 DGAERO COc1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)cn1 ZINC000623350312 401497069 /nfs/dbraw/zinc/49/70/69/401497069.db2.gz DIEBDNFKVHOSQJ-UHFFFAOYSA-N 1 0 302.321 3.460 10 0 DGAERO O[C@@H](CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(F)F ZINC000631695630 401538385 /nfs/dbraw/zinc/53/83/85/401538385.db2.gz BHEFJZJSFWWUEM-MNOVXSKESA-N 1 0 307.793 3.483 10 0 DGAERO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(Br)cc1 ZINC000631697306 401539199 /nfs/dbraw/zinc/53/91/99/401539199.db2.gz XFYIIHUDHZOAQW-KCJUWKMLSA-N 1 0 308.166 3.116 10 0 DGAERO COc1c(C)ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1C ZINC000358450962 286066483 /nfs/dbraw/zinc/06/64/83/286066483.db2.gz DYRSKQNORZLAEH-UHFFFAOYSA-N 1 0 317.433 3.086 10 0 DGAERO C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CC12CCSCC2 ZINC000631640163 401521617 /nfs/dbraw/zinc/52/16/17/401521617.db2.gz XCEPSCCDDJOEMZ-UGUYLWEFSA-N 1 0 307.503 3.457 10 0 DGAERO c1ccc(CN2CCCCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000631681026 401533386 /nfs/dbraw/zinc/53/33/86/401533386.db2.gz UIOMKTKDLLUPBE-LJQANCHMSA-N 1 0 302.462 3.200 10 0 DGAERO c1nc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)sc1-c1ccccc1 ZINC000623754081 401576542 /nfs/dbraw/zinc/57/65/42/401576542.db2.gz IYTRTIFMCSQYFY-CABCVRRESA-N 1 0 300.427 3.467 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000358471407 286071174 /nfs/dbraw/zinc/07/11/74/286071174.db2.gz QLJWENMQFZYRNO-UHFFFAOYSA-N 1 0 311.788 3.253 10 0 DGAERO O[C@@H](CC[NH2+][C@@H]1CCc2c1cccc2Br)C(F)F ZINC000631703661 401541113 /nfs/dbraw/zinc/54/11/13/401541113.db2.gz UULNAKSARZTYPF-NEPJUHHUSA-N 1 0 320.177 3.042 10 0 DGAERO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1([C@@H]2CCCCO2)CCC1 ZINC000631731713 401546051 /nfs/dbraw/zinc/54/60/51/401546051.db2.gz BHKHTPAVQPVWFA-NXOAAHMSSA-N 1 0 305.462 3.273 10 0 DGAERO Cc1nc(C)c(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000628225760 401553915 /nfs/dbraw/zinc/55/39/15/401553915.db2.gz MNWRWEYJYBVQSA-KSSFIOAISA-N 1 0 313.445 3.434 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]3CCOC3)C1)C2 ZINC000623602440 401554207 /nfs/dbraw/zinc/55/42/07/401554207.db2.gz PTVZZZIDKAPJIV-QLIIJSOBSA-N 1 0 315.457 3.313 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)o1 ZINC000623601724 401554273 /nfs/dbraw/zinc/55/42/73/401554273.db2.gz OEOMIZBRMFVFMK-AWEZNQCLSA-N 1 0 322.202 3.273 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000624222887 401640954 /nfs/dbraw/zinc/64/09/54/401640954.db2.gz ITPDYLRNBYYJRQ-MOXGXCLJSA-N 1 0 323.440 3.407 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc3ccc(C)nc32)C1 ZINC000358507355 286080118 /nfs/dbraw/zinc/08/01/18/286080118.db2.gz KOWUKWIGRNKYDO-AWEZNQCLSA-N 1 0 312.417 3.007 10 0 DGAERO C([NH2+]C1CCN([C@H]2CCOC2)CC1)C(C1CCC1)C1CCC1 ZINC000624038534 401616786 /nfs/dbraw/zinc/61/67/86/401616786.db2.gz LEVUMCDVKDTEMG-SFHVURJKSA-N 1 0 306.494 3.046 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+]C1CCC3(CCCO3)CC1)C2 ZINC000624055274 401619633 /nfs/dbraw/zinc/61/96/33/401619633.db2.gz AVXCZAUSEBFBTG-XBMUEBEBSA-N 1 0 301.430 3.209 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CC1CCOCC1 ZINC000358747883 286140577 /nfs/dbraw/zinc/14/05/77/286140577.db2.gz ICORGLNDSQWSPZ-SFHVURJKSA-N 1 0 311.429 3.266 10 0 DGAERO C[C@@H](CSc1nnc(C2CC2)n1Cc1ccccc1)[NH+](C)C ZINC000358851722 286169617 /nfs/dbraw/zinc/16/96/17/286169617.db2.gz HZVMKTBJEMZGMN-ZDUSSCGKSA-N 1 0 316.474 3.246 10 0 DGAERO c1cnn(CCCCC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128318022 296636443 /nfs/dbraw/zinc/63/64/43/296636443.db2.gz ICIPTBVHEHXEFE-SJORKVTESA-N 1 0 301.438 3.023 10 0 DGAERO Cc1ccc(-n2cnnc2SC[C@@H](C)[NH+](C)C)cc1Cl ZINC000358879540 286175977 /nfs/dbraw/zinc/17/59/77/286175977.db2.gz OXMNKUZTFKGHRW-LLVKDONJSA-N 1 0 310.854 3.271 10 0 DGAERO CC(C)Cn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccco1 ZINC000358886012 286177624 /nfs/dbraw/zinc/17/76/24/286177624.db2.gz POWOVEBVTLMIDJ-GFCCVEGCSA-N 1 0 308.451 3.236 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@H]1CCCCO1 ZINC000358917478 286186904 /nfs/dbraw/zinc/18/69/04/286186904.db2.gz UWZUUMCLENIQGI-SJLPKXTDSA-N 1 0 311.429 3.408 10 0 DGAERO COc1cc(F)ccc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186058658 286227027 /nfs/dbraw/zinc/22/70/27/286227027.db2.gz VXOUYZJCGXTLDB-CYBMUJFWSA-N 1 0 323.412 3.220 10 0 DGAERO CCCc1occc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000359119933 286241550 /nfs/dbraw/zinc/24/15/50/286241550.db2.gz YAOQEHXQKCEFPN-UHFFFAOYSA-N 1 0 300.402 3.441 10 0 DGAERO CC(C)(CC(=O)NCCNc1cc[nH+]cc1)C1CCCCC1 ZINC000359273267 286273354 /nfs/dbraw/zinc/27/33/54/286273354.db2.gz RUAKWYPBZDFERS-UHFFFAOYSA-N 1 0 303.450 3.028 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000359377199 286295997 /nfs/dbraw/zinc/29/59/97/286295997.db2.gz XZQOSBOQIQNDOQ-LJQANCHMSA-N 1 0 318.436 3.433 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000359490491 286319402 /nfs/dbraw/zinc/31/94/02/286319402.db2.gz BJZKFZWEEIYJNS-UHFFFAOYSA-N 1 0 300.446 3.027 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc(CSC)cc2)CC1 ZINC000359494451 286320337 /nfs/dbraw/zinc/32/03/37/286320337.db2.gz OPVPNTOSGPLMOB-UHFFFAOYSA-N 1 0 320.502 3.401 10 0 DGAERO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N(CC1CC1)CC1CC1 ZINC000359660921 286355802 /nfs/dbraw/zinc/35/58/02/286355802.db2.gz ZMNZVUZWEZCARP-LJQANCHMSA-N 1 0 312.457 3.300 10 0 DGAERO OCCC1([NH2+]Cc2ncc(Br)s2)CCCCC1 ZINC000359932739 286391215 /nfs/dbraw/zinc/39/12/15/286391215.db2.gz OYDNMZOHVIAOBO-UHFFFAOYSA-N 1 0 319.268 3.081 10 0 DGAERO COC1(C[NH2+]Cc2ccc(Cn3ccnc3)cc2)CCCCC1 ZINC000359956966 286396917 /nfs/dbraw/zinc/39/69/17/286396917.db2.gz GFRMJMWIXOLJAK-UHFFFAOYSA-N 1 0 313.445 3.370 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](SC)C2)C12CCOCC2 ZINC000186344484 286398143 /nfs/dbraw/zinc/39/81/43/286398143.db2.gz JUBQFSSANAZBPX-FXUDXRNXSA-N 1 0 313.507 3.224 10 0 DGAERO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccnc1N(C)C ZINC000154739859 292337990 /nfs/dbraw/zinc/33/79/90/292337990.db2.gz YNXXXOMSIIWLRD-QGZVFWFLSA-N 1 0 311.429 3.460 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCc2ccc(F)cc2C)C12CCOCC2 ZINC000186379679 286540586 /nfs/dbraw/zinc/54/05/86/286540586.db2.gz KDVWBWRDPHHEPU-ROUUACIJSA-N 1 0 321.436 3.240 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc2c1OCO2 ZINC000360964741 286563907 /nfs/dbraw/zinc/56/39/07/286563907.db2.gz XIOIPABCHUVFGG-OWCLPIDISA-N 1 0 303.402 3.100 10 0 DGAERO C=Cc1ccc(CC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)cc1 ZINC000361135670 286606208 /nfs/dbraw/zinc/60/62/08/286606208.db2.gz HPNITBZHLHZUEG-UHFFFAOYSA-N 1 0 304.397 3.447 10 0 DGAERO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC000361209685 286624185 /nfs/dbraw/zinc/62/41/85/286624185.db2.gz UOWZKXZDVCEEEQ-IAQYHMDHSA-N 1 0 317.260 3.365 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)[C@H](C)C2 ZINC000187534130 292368735 /nfs/dbraw/zinc/36/87/35/292368735.db2.gz ZQVZUWHLJKEJLQ-QWQRMKEZSA-N 1 0 321.486 3.031 10 0 DGAERO C[NH+](C)CCCCNC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000361644095 286705900 /nfs/dbraw/zinc/70/59/00/286705900.db2.gz LHZUINBPTUYWIQ-UHFFFAOYSA-N 1 0 316.367 3.096 10 0 DGAERO CCS[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000107526108 286714318 /nfs/dbraw/zinc/71/43/18/286714318.db2.gz LLMMHEPQGRWLMJ-HOTGVXAUSA-N 1 0 312.523 3.241 10 0 DGAERO CCS[C@@H]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000247350806 286712194 /nfs/dbraw/zinc/71/21/94/286712194.db2.gz PBOGQOKKUKSFAS-QLFBSQMISA-N 1 0 315.527 3.080 10 0 DGAERO c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000361890772 286739956 /nfs/dbraw/zinc/73/99/56/286739956.db2.gz VITDZBWLTWWBJH-GVDBMIGSSA-N 1 0 313.445 3.221 10 0 DGAERO C=CC[NH+](CC=C)[C@@H](CNC(=O)CSC(F)(F)F)C(C)C ZINC000042393685 1194173722 /nfs/dbraw/zinc/17/37/22/1194173722.db2.gz NIACPRURKWIBCQ-LBPRGKRZSA-N 1 0 324.412 3.054 10 0 DGAERO C[NH+]1CCC(CC(=O)NCC2(c3ccc(F)cc3)CCC2)CC1 ZINC000362724484 286855026 /nfs/dbraw/zinc/85/50/26/286855026.db2.gz NVHJYSOWBXTKKZ-UHFFFAOYSA-N 1 0 318.436 3.096 10 0 DGAERO Cc1cc(N2CCC[C@@H](C(N)=O)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000408174054 165947769 /nfs/dbraw/zinc/94/77/69/165947769.db2.gz GBKVKWGTIHAXEH-GFCCVEGCSA-N 1 0 317.820 3.207 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CCO1 ZINC000364437470 287026220 /nfs/dbraw/zinc/02/62/20/287026220.db2.gz ARCHHHQLDIAZFH-BHIYHBOVSA-N 1 0 302.462 3.198 10 0 DGAERO CN(C(=O)CSc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000364641634 287047956 /nfs/dbraw/zinc/04/79/56/287047956.db2.gz NRHJARNUOJZZPK-LBPRGKRZSA-N 1 0 312.866 3.033 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1Cl ZINC000085357465 164568763 /nfs/dbraw/zinc/56/87/63/164568763.db2.gz MAVVXCUEWFDMHD-QWRKXWFKSA-N 1 0 301.217 3.298 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000171178219 164621770 /nfs/dbraw/zinc/62/17/70/164621770.db2.gz AZEFUQPDHRJEMH-KBPBESRZSA-N 1 0 307.438 3.246 10 0 DGAERO Cc1ccccc1CCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000175904723 164769321 /nfs/dbraw/zinc/76/93/21/164769321.db2.gz ZDHVDWWFPLTVDV-UHFFFAOYSA-N 1 0 310.445 3.294 10 0 DGAERO CC[C@H]([NH2+]C[C@H](C)C(C)C)c1ccccc1OCC(=O)N(C)C ZINC000178581357 164842312 /nfs/dbraw/zinc/84/23/12/164842312.db2.gz OIPQRTBKNLYWKK-RDJZCZTQSA-N 1 0 320.477 3.486 10 0 DGAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(-c2cccnc2)cc1 ZINC000178844253 164849136 /nfs/dbraw/zinc/84/91/36/164849136.db2.gz NMOXRGSEVMPIFL-RDTXWAMCSA-N 1 0 309.413 3.068 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000180044979 164872367 /nfs/dbraw/zinc/87/23/67/164872367.db2.gz LERWZXXNXVHPIX-HXUWFJFHSA-N 1 0 320.440 3.354 10 0 DGAERO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccco3)CCN2C2CC2)c1 ZINC000180379382 164881920 /nfs/dbraw/zinc/88/19/20/164881920.db2.gz VBDMJDIDPJNVBL-MOPGFXCFSA-N 1 0 312.413 3.356 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1ccc(CC)cc1)CC2 ZINC000180619694 164889499 /nfs/dbraw/zinc/88/94/99/164889499.db2.gz UGGLVMULCAPNBT-IAGOWNOFSA-N 1 0 312.461 3.459 10 0 DGAERO C[C@@H]1CCCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000185443412 165004899 /nfs/dbraw/zinc/00/48/99/165004899.db2.gz GJJUQDBXAQODIX-CQSZACIVSA-N 1 0 321.440 3.219 10 0 DGAERO FC(F)(F)C1CCC(C[N@@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000185509928 165006774 /nfs/dbraw/zinc/00/67/74/165006774.db2.gz OYIRMWYYQGASLG-RUXDESIVSA-N 1 0 316.371 3.284 10 0 DGAERO CCc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000185593663 165008971 /nfs/dbraw/zinc/00/89/71/165008971.db2.gz XDKCXRICDMEVMJ-KSSFIOAISA-N 1 0 324.424 3.342 10 0 DGAERO CCC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1cccnc1 ZINC000185996463 165024157 /nfs/dbraw/zinc/02/41/57/165024157.db2.gz OPSCSORJYBVHFH-JKSUJKDBSA-N 1 0 313.449 3.242 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(F)c(Cl)c1F ZINC000186095127 165027604 /nfs/dbraw/zinc/02/76/04/165027604.db2.gz MNUGTNWZZMBVSG-JTQLQIEISA-N 1 0 316.779 3.175 10 0 DGAERO C[C@H](C(=O)NC1CCCCC1)N1Cc2ccccc2C2(CC2)C1 ZINC000186157899 165029347 /nfs/dbraw/zinc/02/93/47/165029347.db2.gz YESIZBHJCYRFEI-OAHLLOKOSA-N 1 0 312.457 3.371 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccco2)C12CCOCC2 ZINC000186209703 165033807 /nfs/dbraw/zinc/03/38/07/165033807.db2.gz OLGNZGYITZQMLO-BHYGNILZSA-N 1 0 307.434 3.165 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nc(C)cs2)C12CCOCC2 ZINC000186313149 165038052 /nfs/dbraw/zinc/03/80/52/165038052.db2.gz MIELAFXNFNDLMS-BFHYXJOUSA-N 1 0 310.463 3.076 10 0 DGAERO O=C(Cc1cccc2ccccc21)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186506882 165047154 /nfs/dbraw/zinc/04/71/54/165047154.db2.gz PKVMDMYCWTYARL-QGZVFWFLSA-N 1 0 308.425 3.125 10 0 DGAERO O=C(c1cncc(-c2ccccc2)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186561237 165050155 /nfs/dbraw/zinc/05/01/55/165050155.db2.gz YTZXCCPGRHZNCM-SFHVURJKSA-N 1 0 321.424 3.105 10 0 DGAERO CC1(C)CC[C@H](C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)O1 ZINC000187214612 165080794 /nfs/dbraw/zinc/08/07/94/165080794.db2.gz PUKIBKBZZZHPHS-QGZVFWFLSA-N 1 0 322.493 3.105 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CCc3ncnn3C1)CCS2 ZINC000187328386 165085968 /nfs/dbraw/zinc/08/59/68/165085968.db2.gz DQBMANCMTXJGET-ZFWWWQNUSA-N 1 0 314.458 3.036 10 0 DGAERO CCOC(=O)[C@@H](Cc1ccccc1)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000187362228 165087817 /nfs/dbraw/zinc/08/78/17/165087817.db2.gz IKADIKMZNHOMJX-LJQANCHMSA-N 1 0 324.424 3.218 10 0 DGAERO Cc1cc(C)n2c(C[NH2+]C3(Cc4ccccc4)CC3)cnc2n1 ZINC000187492885 165092344 /nfs/dbraw/zinc/09/23/44/165092344.db2.gz ZKZNJFUNJAYKRE-UHFFFAOYSA-N 1 0 306.413 3.211 10 0 DGAERO Cc1nn(C)cc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000187773267 165102655 /nfs/dbraw/zinc/10/26/55/165102655.db2.gz APLCWUILAKDPPY-UHFFFAOYSA-N 1 0 318.852 3.458 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(F)c1 ZINC000188073098 165110599 /nfs/dbraw/zinc/11/05/99/165110599.db2.gz JLDXUCYSYPFPAZ-FUHWJXTLSA-N 1 0 316.424 3.269 10 0 DGAERO C[C@]12CC3CC(C(=O)N4CC[NH+]5CCC4CC5)(C1)C[C@@](C)(C3)C2 ZINC000188604953 165128370 /nfs/dbraw/zinc/12/83/70/165128370.db2.gz HGRCWSJWASUWAB-LGMBCPCJSA-N 1 0 316.489 3.290 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC[C@@H]2CCCO2)c1 ZINC000188679476 165131962 /nfs/dbraw/zinc/13/19/62/165131962.db2.gz BARYKAXAQRXSDO-WMLDXEAASA-N 1 0 305.418 3.410 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000188691230 165132011 /nfs/dbraw/zinc/13/20/11/165132011.db2.gz QNIGRGACLFBNJJ-UHFFFAOYSA-N 1 0 320.314 3.239 10 0 DGAERO O=C(c1cc(C2CC2)nc2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000188861284 165141203 /nfs/dbraw/zinc/14/12/03/165141203.db2.gz BLSNIKCWLDKAEW-UHFFFAOYSA-N 1 0 321.424 3.032 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC12CCCC2 ZINC000189186450 165152451 /nfs/dbraw/zinc/15/24/51/165152451.db2.gz OBUBAYHWBRZCJD-WMLDXEAASA-N 1 0 311.429 3.097 10 0 DGAERO C[C@@H](NC(=O)CCc1c[nH]cn1)c1ccc(-c2cccnc2)cc1 ZINC000189471468 165161963 /nfs/dbraw/zinc/16/19/63/165161963.db2.gz OIRYWJGJVAWVML-CQSZACIVSA-N 1 0 320.396 3.282 10 0 DGAERO CN(C)c1noc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000189537517 165164825 /nfs/dbraw/zinc/16/48/25/165164825.db2.gz DFFXTHMYPZIHHI-UHFFFAOYSA-N 1 0 320.824 3.169 10 0 DGAERO Cc1cccc(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)c1C ZINC000190032467 165186048 /nfs/dbraw/zinc/18/60/48/165186048.db2.gz RRTCVMPZNRLUMK-UHFFFAOYSA-N 1 0 314.433 3.132 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000190216922 165193413 /nfs/dbraw/zinc/19/34/13/165193413.db2.gz VJRNTNMFFPSZFW-CQSZACIVSA-N 1 0 321.465 3.032 10 0 DGAERO c1csc([C@H]2CCC[N@@H+](CC3CCC4(CC3)OCCO4)C2)n1 ZINC000190206437 165193445 /nfs/dbraw/zinc/19/34/45/165193445.db2.gz VOORFJUSAYWCAD-HNNXBMFYSA-N 1 0 322.474 3.256 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000190257103 165194842 /nfs/dbraw/zinc/19/48/42/165194842.db2.gz WOJYOCJHWVNSDP-GFCCVEGCSA-N 1 0 321.490 3.008 10 0 DGAERO Cc1nccn1CCCC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190987901 165224448 /nfs/dbraw/zinc/22/44/48/165224448.db2.gz YKIGIVKZLQAHQD-UHFFFAOYSA-N 1 0 305.466 3.395 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccccc1-n1cccn1 ZINC000191053510 165226507 /nfs/dbraw/zinc/22/65/07/165226507.db2.gz KFJIGXSSFIYZFI-WBVHZDCISA-N 1 0 313.445 3.464 10 0 DGAERO O[C@H](CC1CCCC1)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000191314607 165241757 /nfs/dbraw/zinc/24/17/57/165241757.db2.gz HLOAHEGQFNOCJC-AEFFLSMTSA-N 1 0 307.434 3.202 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1csc(Cl)c1)CC2 ZINC000191357457 165246212 /nfs/dbraw/zinc/24/62/12/165246212.db2.gz DZJMMLJUHNDAFP-GXSJLCMTSA-N 1 0 310.854 3.221 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1csc(Cl)c1)CC2 ZINC000191357474 165246752 /nfs/dbraw/zinc/24/67/52/165246752.db2.gz DZJMMLJUHNDAFP-ONGXEEELSA-N 1 0 310.854 3.221 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)[nH]1 ZINC000191689728 165264714 /nfs/dbraw/zinc/26/47/14/165264714.db2.gz RRNKNJMJTDCIOR-UHFFFAOYSA-N 1 0 310.445 3.235 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[N@H+](CCO)C1CCCCC1 ZINC000192122610 165283211 /nfs/dbraw/zinc/28/32/11/165283211.db2.gz NXAOUHIGCSFNEO-UHFFFAOYSA-N 1 0 313.445 3.308 10 0 DGAERO COC(=O)[C@H](C)N(Cc1cc(F)cc2cccnc21)C1CCC1 ZINC000192387503 165290774 /nfs/dbraw/zinc/29/07/74/165290774.db2.gz YCBFHRUIUHGYAP-LBPRGKRZSA-N 1 0 316.376 3.290 10 0 DGAERO O=C(c1ccc(Cl)s1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192769444 165306471 /nfs/dbraw/zinc/30/64/71/165306471.db2.gz LGFJLYNAZQYVJO-UHFFFAOYSA-N 1 0 312.866 3.350 10 0 DGAERO Cc1csc(C2CC[NH+](CCO[C@H]3CCCCO3)CC2)n1 ZINC000193047688 165316616 /nfs/dbraw/zinc/31/66/16/165316616.db2.gz CENRNHPJEBKXBA-HNNXBMFYSA-N 1 0 310.463 3.174 10 0 DGAERO CCCCS[C@@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193515731 165326315 /nfs/dbraw/zinc/32/63/15/165326315.db2.gz RMOSBGVXOZVTFR-HNNXBMFYSA-N 1 0 312.523 3.243 10 0 DGAERO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000193695773 165329585 /nfs/dbraw/zinc/32/95/85/165329585.db2.gz NTLSZHWURQHCEV-CQSZACIVSA-N 1 0 319.449 3.422 10 0 DGAERO Cc1nc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)nc2ccccc12 ZINC000193862725 165332334 /nfs/dbraw/zinc/33/23/34/165332334.db2.gz ZZPUXIIZUVWONB-AWEZNQCLSA-N 1 0 307.401 3.041 10 0 DGAERO CC(C)C[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193818781 165333256 /nfs/dbraw/zinc/33/32/56/165333256.db2.gz XHJISWNLIIUVAL-FUHWJXTLSA-N 1 0 302.462 3.307 10 0 DGAERO C[C@H](CC[NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 ZINC000194491549 165346465 /nfs/dbraw/zinc/34/64/65/165346465.db2.gz DNEFDBHPKLVTEX-AEFFLSMTSA-N 1 0 312.461 3.172 10 0 DGAERO CCCCc1noc([C@@H](C)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000194733859 165354409 /nfs/dbraw/zinc/35/44/09/165354409.db2.gz RDNPTRNDMLTSIH-OAHLLOKOSA-N 1 0 320.481 3.281 10 0 DGAERO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(OC)c2)o1 ZINC000194994896 165359724 /nfs/dbraw/zinc/35/97/24/165359724.db2.gz OPXSWTRNOVVZRG-HNNXBMFYSA-N 1 0 317.385 3.477 10 0 DGAERO O=C(C1CC[NH+](C2CC2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000195277264 165363865 /nfs/dbraw/zinc/36/38/65/165363865.db2.gz OLQJQCGKRNHYRK-UHFFFAOYSA-N 1 0 310.441 3.177 10 0 DGAERO O=C(c1ccc(-c2ccccc2F)o1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195317956 165365791 /nfs/dbraw/zinc/36/57/91/165365791.db2.gz SWUOGKHMMXEBDY-CYBMUJFWSA-N 1 0 314.360 3.006 10 0 DGAERO C[C@@H]1CN(Cc2cc(Br)c(Cl)s2)C[C@H](C)[NH2+]1 ZINC000227908278 165389094 /nfs/dbraw/zinc/38/90/94/165389094.db2.gz NDAWQDFKLVOWGB-OCAPTIKFSA-N 1 0 323.687 3.346 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000247089680 165563312 /nfs/dbraw/zinc/56/33/12/165563312.db2.gz NWXXUMZHLRJRLA-WQANXHIZSA-N 1 0 319.445 3.320 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3ncccc32)[C@@H](C)C1 ZINC000247403409 165581934 /nfs/dbraw/zinc/58/19/34/165581934.db2.gz MSTSIGZBRUNOAI-KBXCAEBGSA-N 1 0 311.429 3.037 10 0 DGAERO c1cc(CCC[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc2c1OCC2 ZINC000253309179 165703587 /nfs/dbraw/zinc/70/35/87/165703587.db2.gz BUODYNKJAPBHMI-SCTDSRPQSA-N 1 0 301.430 3.101 10 0 DGAERO C[C@@H](C(=O)N(CCc1ccccc1)Cc1ccccc1)C1C[NH2+]C1 ZINC000261541320 165713628 /nfs/dbraw/zinc/71/36/28/165713628.db2.gz JUOZXULRBLTGTE-QGZVFWFLSA-N 1 0 322.452 3.113 10 0 DGAERO C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(-c2cccnc2)cc1 ZINC000261885916 165759945 /nfs/dbraw/zinc/75/99/45/165759945.db2.gz SKEMSBCSQBJQKA-JKSUJKDBSA-N 1 0 323.440 3.316 10 0 DGAERO CC1(C)CN(C(=O)c2ccccc2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000261940346 165767844 /nfs/dbraw/zinc/76/78/44/165767844.db2.gz JGRCAEFNZQWCHW-IBGZPJMESA-N 1 0 322.452 3.477 10 0 DGAERO CCN(CCc1cccs1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261954180 165769560 /nfs/dbraw/zinc/76/95/60/165769560.db2.gz QKHSLPSVUGTQJK-IMJJTQAJSA-N 1 0 306.475 3.060 10 0 DGAERO [NH3+][C@@H]1CCCCCC[C@@H]1c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000261974158 165773523 /nfs/dbraw/zinc/77/35/23/165773523.db2.gz IOEXLPXKULKXJX-LSDHHAIUSA-N 1 0 313.401 3.437 10 0 DGAERO CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262122972 165788967 /nfs/dbraw/zinc/78/89/67/165788967.db2.gz WJGVADXKZPAUMC-HNNXBMFYSA-N 1 0 322.880 3.495 10 0 DGAERO Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCCC34CCC4)c2cc1C ZINC000365635680 287156473 /nfs/dbraw/zinc/15/64/73/287156473.db2.gz HZBVWGNZALMRQD-MRXNPFEDSA-N 1 0 313.445 3.033 10 0 DGAERO C=Cn1cc(CN2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)cn1 ZINC000365805764 287174296 /nfs/dbraw/zinc/17/42/96/287174296.db2.gz NALSVVKZYOFSSF-KRWDZBQOSA-N 1 0 310.445 3.080 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000192837898 287230714 /nfs/dbraw/zinc/23/07/14/287230714.db2.gz GFFWPMBJYRGIMR-ZIAGYGMSSA-N 1 0 319.445 3.376 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(C)nc2scc(C)c21 ZINC000302265080 287232103 /nfs/dbraw/zinc/23/21/03/287232103.db2.gz FMTDKGHHRQQTDD-KGLIPLIRSA-N 1 0 316.474 3.371 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000129135880 196022884 /nfs/dbraw/zinc/02/28/84/196022884.db2.gz XJLPSSPNDKRDEW-INMHGKMJSA-N 1 0 303.450 3.119 10 0 DGAERO Cc1oncc1C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000129301355 196037385 /nfs/dbraw/zinc/03/73/85/196037385.db2.gz HAYKXXWSIXTZKE-INIZCTEOSA-N 1 0 302.349 3.360 10 0 DGAERO Cc1cc(N[C@@H](C)CO[C@H]2CCOC2)c2cc(F)ccc2[nH+]1 ZINC000129373351 196043138 /nfs/dbraw/zinc/04/31/38/196043138.db2.gz AIDACRBRFPXGLG-JSGCOSHPSA-N 1 0 304.365 3.288 10 0 DGAERO COC(C)(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000171600249 432150521 /nfs/dbraw/zinc/15/05/21/432150521.db2.gz YEDQPADBPOCTSC-UHFFFAOYSA-N 1 0 318.461 3.104 10 0 DGAERO COC(C)(C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000171600011 432150854 /nfs/dbraw/zinc/15/08/54/432150854.db2.gz OWIOUMPDJKXOGZ-UHFFFAOYSA-N 1 0 304.434 3.426 10 0 DGAERO C[C@H]1C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CCS1 ZINC000171695039 432161068 /nfs/dbraw/zinc/16/10/68/432161068.db2.gz LHAVQDJEGUOIOP-WMLDXEAASA-N 1 0 318.486 3.008 10 0 DGAERO CC(C)[NH2+]C1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000171690974 432161380 /nfs/dbraw/zinc/16/13/80/432161380.db2.gz ZZXCYNCAZBOQSN-CQSZACIVSA-N 1 0 314.433 3.260 10 0 DGAERO C/C(=C\c1ccc(C)cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182146647 432162050 /nfs/dbraw/zinc/16/20/50/432162050.db2.gz OSEZOABSMHYFNS-NJMKNOHLSA-N 1 0 300.446 3.339 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000181956729 432153397 /nfs/dbraw/zinc/15/33/97/432153397.db2.gz XLSPETFEZTUFJB-INIZCTEOSA-N 1 0 321.465 3.168 10 0 DGAERO CCc1cc(NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)ccc1C ZINC000182025183 432154769 /nfs/dbraw/zinc/15/47/69/432154769.db2.gz KXPLDDCUJHRQOY-HNNXBMFYSA-N 1 0 303.450 3.363 10 0 DGAERO CCc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1C ZINC000182002577 432155218 /nfs/dbraw/zinc/15/52/18/432155218.db2.gz GBEMZXDQLANDCX-KRWDZBQOSA-N 1 0 301.434 3.259 10 0 DGAERO Fc1ccc(OCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171646898 432156400 /nfs/dbraw/zinc/15/64/00/432156400.db2.gz IAPSVXLLDVTMKF-OAHLLOKOSA-N 1 0 315.392 3.034 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)s1 ZINC000171664475 432158410 /nfs/dbraw/zinc/15/84/10/432158410.db2.gz MRZWYRASJDSSNQ-CQSZACIVSA-N 1 0 322.861 3.191 10 0 DGAERO CSC[C@@H](CCO)[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182094408 432158488 /nfs/dbraw/zinc/15/84/88/432158488.db2.gz UWCHBCQVIGSEDQ-DOMZBBRYSA-N 1 0 303.418 3.366 10 0 DGAERO CC(C)COC1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182256942 432171535 /nfs/dbraw/zinc/17/15/35/432171535.db2.gz GKLRLZFBJGXOSC-GOSISDBHSA-N 1 0 305.462 3.117 10 0 DGAERO Cc1ccccc1C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190488109 432162447 /nfs/dbraw/zinc/16/24/47/432162447.db2.gz NKPVMAMUDMOALE-IBGZPJMESA-N 1 0 309.457 3.344 10 0 DGAERO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246766924 432162837 /nfs/dbraw/zinc/16/28/37/432162837.db2.gz YLFXUCPYRLYMLN-QAPCUYQASA-N 1 0 324.424 3.390 10 0 DGAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000182174109 432162951 /nfs/dbraw/zinc/16/29/51/432162951.db2.gz NBQPNAILVXOUBM-OAHLLOKOSA-N 1 0 307.438 3.449 10 0 DGAERO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246766932 432163060 /nfs/dbraw/zinc/16/30/60/432163060.db2.gz YLFXUCPYRLYMLN-YJBOKZPZSA-N 1 0 324.424 3.390 10 0 DGAERO Cc1ccc(OCCC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1C ZINC000171705710 432164156 /nfs/dbraw/zinc/16/41/56/432164156.db2.gz FBXIBVSPVHBYOB-KRWDZBQOSA-N 1 0 314.433 3.001 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C)cc1 ZINC000246773586 432165370 /nfs/dbraw/zinc/16/53/70/432165370.db2.gz RTVPQXKQQAWMDI-ZWKOTPCHSA-N 1 0 313.445 3.216 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000246807462 432166737 /nfs/dbraw/zinc/16/67/37/432166737.db2.gz QXXRAOGMISXSDR-YJBOKZPZSA-N 1 0 324.428 3.178 10 0 DGAERO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000190507033 432166939 /nfs/dbraw/zinc/16/69/39/432166939.db2.gz GQMLVHIWYXHKHG-LZQZEXGQSA-N 1 0 303.446 3.390 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc(C(C)(C)C)s1 ZINC000246822684 432168412 /nfs/dbraw/zinc/16/84/12/432168412.db2.gz ABBNWGLMBAFFKJ-STQMWFEESA-N 1 0 321.490 3.139 10 0 DGAERO CC[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1nccn1C ZINC000182238931 432170566 /nfs/dbraw/zinc/17/05/66/432170566.db2.gz TZDUQRFSMXLEPU-SFHVURJKSA-N 1 0 312.461 3.257 10 0 DGAERO CCn1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c2ccccc21 ZINC000246826960 432170969 /nfs/dbraw/zinc/17/09/69/432170969.db2.gz DQMCBIAFIWPJCT-PBHICJAKSA-N 1 0 313.445 3.120 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1oc2ccccc2c1C ZINC000246878680 432176463 /nfs/dbraw/zinc/17/64/63/432176463.db2.gz FPCHSMCSCZGWBK-CABCVRRESA-N 1 0 312.413 3.440 10 0 DGAERO Cn1nccc1C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000182302444 432176782 /nfs/dbraw/zinc/17/67/82/432176782.db2.gz XFURJGHIDVRNCJ-UHFFFAOYSA-N 1 0 313.445 3.206 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccccc3Cl)CC[C@H]21 ZINC000246889166 432177852 /nfs/dbraw/zinc/17/78/52/432177852.db2.gz FHWQDGINHFGBIV-IUODEOHRSA-N 1 0 307.825 3.288 10 0 DGAERO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000246900624 432178070 /nfs/dbraw/zinc/17/80/70/432178070.db2.gz RKQCVWQPMVJYBY-MAUKXSAKSA-N 1 0 318.436 3.283 10 0 DGAERO CC(C)(C)[NH+]1CCC(NC(=O)NC/C=C/c2ccccc2)CC1 ZINC000171851677 432178532 /nfs/dbraw/zinc/17/85/32/432178532.db2.gz UQAAZCWLTHJFDN-JXMROGBWSA-N 1 0 315.461 3.262 10 0 DGAERO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc21)C(C)C ZINC000246891623 432178636 /nfs/dbraw/zinc/17/86/36/432178636.db2.gz RHGHMUWRQRBLGD-YQQAZPJKSA-N 1 0 318.461 3.175 10 0 DGAERO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000137900016 432180502 /nfs/dbraw/zinc/18/05/02/432180502.db2.gz VPRJZIHCVMOGCB-ACJLOTCBSA-N 1 0 320.481 3.082 10 0 DGAERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccccc1OC(F)F ZINC000190665129 432180677 /nfs/dbraw/zinc/18/06/77/432180677.db2.gz DOAHMHILEYDWGP-NSHDSACASA-N 1 0 301.333 3.092 10 0 DGAERO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000137899801 432181494 /nfs/dbraw/zinc/18/14/94/432181494.db2.gz VPRJZIHCVMOGCB-UGSOOPFHSA-N 1 0 320.481 3.082 10 0 DGAERO COCc1ccsc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000182264072 432173370 /nfs/dbraw/zinc/17/33/70/432173370.db2.gz XSRDNYKVHMSEFF-UHFFFAOYSA-N 1 0 312.479 3.133 10 0 DGAERO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@H](O)CC1CCCC1 ZINC000190625429 432176103 /nfs/dbraw/zinc/17/61/03/432176103.db2.gz TUMFVCAUOKVJSH-UZSYQUHHSA-N 1 0 323.502 3.358 10 0 DGAERO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246870304 432176389 /nfs/dbraw/zinc/17/63/89/432176389.db2.gz NYUBXWONVJXXPF-VKJFTORMSA-N 1 0 318.436 3.090 10 0 DGAERO CS[C@H]1CCCC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000246936269 432183666 /nfs/dbraw/zinc/18/36/66/432183666.db2.gz TZBSRGFOGMKWHM-SWLSCSKDSA-N 1 0 301.402 3.216 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129701556 196069564 /nfs/dbraw/zinc/06/95/64/196069564.db2.gz ITMGAATWUJGHJS-FAEJEUNOSA-N 1 0 302.462 3.102 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(SC)cc1 ZINC000246991583 432188040 /nfs/dbraw/zinc/18/80/40/432188040.db2.gz PFRFNEAOVONAJZ-CABCVRRESA-N 1 0 304.459 3.107 10 0 DGAERO CC[C@@H]1CCCCCN1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000150769877 432191079 /nfs/dbraw/zinc/19/10/79/432191079.db2.gz ZTSRLBQBBNIENK-DLBZAZTESA-N 1 0 309.498 3.329 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000247016316 432191255 /nfs/dbraw/zinc/19/12/55/432191255.db2.gz LXOOWLKYAGFTIV-ZFWWWQNUSA-N 1 0 303.406 3.097 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)c1cccs1 ZINC000246941917 432182892 /nfs/dbraw/zinc/18/28/92/432182892.db2.gz XPVIFYGVKJWWCE-KGLIPLIRSA-N 1 0 308.491 3.262 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)c1 ZINC000247065021 432198503 /nfs/dbraw/zinc/19/85/03/432198503.db2.gz GDNMPTGFUBNOJO-IAGOWNOFSA-N 1 0 319.836 3.215 10 0 DGAERO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247028783 432194468 /nfs/dbraw/zinc/19/44/68/432194468.db2.gz KBFAYXZRADBGGM-RHSMWYFYSA-N 1 0 302.397 3.281 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000247045797 432195859 /nfs/dbraw/zinc/19/58/59/432195859.db2.gz IEJMXYKMCMWMGE-JKIFEVAISA-N 1 0 321.440 3.257 10 0 DGAERO C[C@H](CCc1ccccc1F)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247043412 432196951 /nfs/dbraw/zinc/19/69/51/432196951.db2.gz YARSKFRFPQBRRT-VYDXJSESSA-N 1 0 318.436 3.090 10 0 DGAERO COc1cc(C[N@H+](C)[C@@H](C)c2ccco2)cc2c1OCCO2 ZINC000131060701 196136940 /nfs/dbraw/zinc/13/69/40/196136940.db2.gz JIPUKQBYEXLJQK-LBPRGKRZSA-N 1 0 303.358 3.252 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)c1ccccc1Cl ZINC000247153857 432206945 /nfs/dbraw/zinc/20/69/45/432206945.db2.gz KDYBLAFMJZUNKY-KBPBESRZSA-N 1 0 320.864 3.313 10 0 DGAERO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247186022 432208682 /nfs/dbraw/zinc/20/86/82/432208682.db2.gz BNMWXUXRMRGONL-ZBFHGGJFSA-N 1 0 324.415 3.213 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000190995901 432208909 /nfs/dbraw/zinc/20/89/09/432208909.db2.gz UNOOPRKUYZURTO-SMDDNHRTSA-N 1 0 314.351 3.148 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCSc1ccccc1F ZINC000247173301 432210019 /nfs/dbraw/zinc/21/00/19/432210019.db2.gz KSLNCGYJSRAEGC-KBPBESRZSA-N 1 0 322.449 3.003 10 0 DGAERO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCS[C@H](C)C1 ZINC000131343884 196160740 /nfs/dbraw/zinc/16/07/40/196160740.db2.gz WZXHWCAXFCNKBX-CYBMUJFWSA-N 1 0 301.459 3.426 10 0 DGAERO CC(C)[C@H](C)CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182656334 432213150 /nfs/dbraw/zinc/21/31/50/432213150.db2.gz JCHAGQMCXILXRM-OWCLPIDISA-N 1 0 309.498 3.231 10 0 DGAERO Cc1ccc(N2CCC(C(=O)NC[C@H](C)C(C)C)CC2)nc1 ZINC000172442995 432214472 /nfs/dbraw/zinc/21/44/72/432214472.db2.gz LBOJUCOKWCKDLE-HNNXBMFYSA-N 1 0 303.450 3.015 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC2(CC2)c2ccccc21 ZINC000172431994 432214518 /nfs/dbraw/zinc/21/45/18/432214518.db2.gz DUPAVCZUBWGVCL-LJQANCHMSA-N 1 0 320.436 3.238 10 0 DGAERO CC[N@@H+]1CC[C@@H]([NH+](C)CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000247237969 432214803 /nfs/dbraw/zinc/21/48/03/432214803.db2.gz SPQBKGSYYNJRGQ-AZUAARDMSA-N 1 0 318.505 3.298 10 0 DGAERO O=c1c2ccccc2ncn1CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000172249105 432205255 /nfs/dbraw/zinc/20/52/55/432205255.db2.gz AMTXGZNUIAHIBO-FQEVSTJZSA-N 1 0 323.440 3.219 10 0 DGAERO Clc1cccc(-c2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)co2)c1 ZINC000172290281 432206402 /nfs/dbraw/zinc/20/64/02/432206402.db2.gz CPFYYFGLXPQKJZ-MRXNPFEDSA-N 1 0 317.820 3.275 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccc(C)cc2)[C@@H](C)C1 ZINC000247349369 432224756 /nfs/dbraw/zinc/22/47/56/432224756.db2.gz JOUALZGJNBBSTH-DOTOQJQBSA-N 1 0 320.502 3.276 10 0 DGAERO Cc1ccccc1C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000172622764 432225222 /nfs/dbraw/zinc/22/52/22/432225222.db2.gz NNCNLAXWILTELS-HZPDHXFCSA-N 1 0 302.462 3.214 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000247348060 432225484 /nfs/dbraw/zinc/22/54/84/432225484.db2.gz GOCPEETVTKBOOS-QZTJIDSGSA-N 1 0 312.413 3.178 10 0 DGAERO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000172633844 432225621 /nfs/dbraw/zinc/22/56/21/432225621.db2.gz ICBPJHXXBJQGIQ-UKRRQHHQSA-N 1 0 316.376 3.219 10 0 DGAERO Cn1ccnc1CC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182755405 432225867 /nfs/dbraw/zinc/22/58/67/432225867.db2.gz VPFGUIFICGSWHJ-UHFFFAOYSA-N 1 0 315.436 3.447 10 0 DGAERO CC1(C)Cc2cccc(C[NH2+]Cc3ccc(CO)c(F)c3)c2O1 ZINC000172627706 432225976 /nfs/dbraw/zinc/22/59/76/432225976.db2.gz NDMCEVOLXRIANN-UHFFFAOYSA-N 1 0 315.388 3.321 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247376011 432226329 /nfs/dbraw/zinc/22/63/29/432226329.db2.gz SRRZEABOMHNWMK-AAEUAGOBSA-N 1 0 323.824 3.049 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2SC)[C@@H](C)C1 ZINC000247405573 432227416 /nfs/dbraw/zinc/22/74/16/432227416.db2.gz MWUAFCZVMZNNTJ-NWDGAFQWSA-N 1 0 312.504 3.272 10 0 DGAERO Cc1cccc(C)c1OCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247399958 432227784 /nfs/dbraw/zinc/22/77/84/432227784.db2.gz MOFWJTHKACBAOE-IRXDYDNUSA-N 1 0 318.461 3.013 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cccc3F)[nH]2)[C@@H](C)C1 ZINC000247405245 432227898 /nfs/dbraw/zinc/22/78/98/432227898.db2.gz MVXFEKKTNDRBFZ-YVEFUNNKSA-N 1 0 317.408 3.109 10 0 DGAERO C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247267915 432217212 /nfs/dbraw/zinc/21/72/12/432217212.db2.gz FJCFJQWMPLMVJW-RDBSUJKOSA-N 1 0 324.852 3.048 10 0 DGAERO CCOC(=O)CC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000131523519 196176934 /nfs/dbraw/zinc/17/69/34/196176934.db2.gz GOVBZCYOVJILAW-ZDUSSCGKSA-N 1 0 310.463 3.399 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000172503511 432217557 /nfs/dbraw/zinc/21/75/57/432217557.db2.gz LOFOVJXJVTWNEE-INIZCTEOSA-N 1 0 305.466 3.052 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@H]3C(C)=CCC[C@H]3C)CC2)nn1 ZINC000191066996 432217894 /nfs/dbraw/zinc/21/78/94/432217894.db2.gz VDNRJLKPJLRJME-AEFFLSMTSA-N 1 0 314.477 3.290 10 0 DGAERO CC(C)[C@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247276438 432218738 /nfs/dbraw/zinc/21/87/38/432218738.db2.gz RQUASPGHMJIIKJ-JFIYKMOQSA-N 1 0 317.477 3.090 10 0 DGAERO Cc1c(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cccc1C(F)(F)F ZINC000151109410 432219005 /nfs/dbraw/zinc/21/90/05/432219005.db2.gz DNYRVWCHCWHITG-WDEREUQCSA-N 1 0 300.324 3.470 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247294904 432219745 /nfs/dbraw/zinc/21/97/45/432219745.db2.gz LAMQKYKRRZKMPA-PVAVHDDUSA-N 1 0 320.502 3.402 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000247290976 432220399 /nfs/dbraw/zinc/22/03/99/432220399.db2.gz KVFVJJRZUFLMLY-BFYDXBDKSA-N 1 0 303.450 3.118 10 0 DGAERO Clc1cccc2c1CCN(CC[NH2+]C1CCSCC1)C2 ZINC000191105818 432221007 /nfs/dbraw/zinc/22/10/07/432221007.db2.gz LSIGHWUWHBCFNL-UHFFFAOYSA-N 1 0 310.894 3.183 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247312640 432222200 /nfs/dbraw/zinc/22/22/00/432222200.db2.gz HOTYJVQITXKZPZ-FUHWJXTLSA-N 1 0 302.462 3.259 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247351817 432224352 /nfs/dbraw/zinc/22/43/52/432224352.db2.gz JSNBXIRDMLLTIP-IXDOHACOSA-N 1 0 302.462 3.430 10 0 DGAERO CCS[C@@H]1CCC[C@H](NC(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000247350853 432224604 /nfs/dbraw/zinc/22/46/04/432224604.db2.gz PBOGQOKKUKSFAS-SOUVJXGZSA-N 1 0 315.527 3.080 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000131883330 196206871 /nfs/dbraw/zinc/20/68/71/196206871.db2.gz QLQMARAFWDPDQA-GOSISDBHSA-N 1 0 321.428 3.456 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCCCC2)cc1F ZINC000132009706 196219188 /nfs/dbraw/zinc/21/91/88/196219188.db2.gz CIQRFFPJYZOOQS-KGLIPLIRSA-N 1 0 322.424 3.276 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000132323956 196245229 /nfs/dbraw/zinc/24/52/29/196245229.db2.gz DSULMPSDHNJJBG-QGZVFWFLSA-N 1 0 324.472 3.256 10 0 DGAERO C[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000132604051 196269562 /nfs/dbraw/zinc/26/95/62/196269562.db2.gz YYCSZQZLKXCHFQ-KFWWJZLASA-N 1 0 302.418 3.028 10 0 DGAERO C[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000132852952 196291189 /nfs/dbraw/zinc/29/11/89/196291189.db2.gz YFVMPLVEPLUGCI-LBPRGKRZSA-N 1 0 309.841 3.137 10 0 DGAERO COc1ccc(F)c(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000133305696 196329075 /nfs/dbraw/zinc/32/90/75/196329075.db2.gz YXEPXOKIDMYOHC-CYBMUJFWSA-N 1 0 323.412 3.076 10 0 DGAERO CC[C@](C)(CCO)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000134470241 196393601 /nfs/dbraw/zinc/39/36/01/196393601.db2.gz LZNDOGXKPXJOKO-CQSZACIVSA-N 1 0 305.340 3.268 10 0 DGAERO C[C@@H]1CCCN(c2ncc(Cl)cc2Br)[C@H]1C[NH3+] ZINC000253366108 287361552 /nfs/dbraw/zinc/36/15/52/287361552.db2.gz QNWZTGACALGHOR-KCJUWKMLSA-N 1 0 318.646 3.061 10 0 DGAERO c1c(C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)nc2ncccn12 ZINC000297363925 227068186 /nfs/dbraw/zinc/06/81/86/227068186.db2.gz HAHSEZKJPBCEHN-AEFFLSMTSA-N 1 0 306.413 3.403 10 0 DGAERO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000172182725 228274318 /nfs/dbraw/zinc/27/43/18/228274318.db2.gz JEBQFIJBUHGYNL-CVEARBPZSA-N 1 0 309.498 3.376 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000175173444 228297830 /nfs/dbraw/zinc/29/78/30/228297830.db2.gz JKRQKFYHHUFZAF-AZUAARDMSA-N 1 0 310.441 3.005 10 0 DGAERO C[C@H](C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1)c1ccccc1 ZINC000177406115 228330437 /nfs/dbraw/zinc/33/04/37/228330437.db2.gz QAKBHDVNVVWARO-ACJLOTCBSA-N 1 0 316.832 3.434 10 0 DGAERO Cn1cccc1[C@@H]1CCCN1Cc1nc(C2CCCC2)no1 ZINC000178745328 228346395 /nfs/dbraw/zinc/34/63/95/228346395.db2.gz RYPJQTDUFXLZPG-HNNXBMFYSA-N 1 0 300.406 3.403 10 0 DGAERO Cc1ccc([C@H]([NH2+]CC(C)(C)C(N)=O)c2ccccc2)c(C)c1 ZINC000183636108 228375120 /nfs/dbraw/zinc/37/51/20/228375120.db2.gz QGPSXHBHAMCXMP-GOSISDBHSA-N 1 0 310.441 3.494 10 0 DGAERO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187856218 228443893 /nfs/dbraw/zinc/44/38/93/228443893.db2.gz QKIWADSRCYZOKZ-CABCVRRESA-N 1 0 304.434 3.259 10 0 DGAERO Cn1c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2sc1=O ZINC000192614901 228552443 /nfs/dbraw/zinc/55/24/43/228552443.db2.gz BFSASQNNCUHVTP-UHFFFAOYSA-N 1 0 310.422 3.158 10 0 DGAERO Cc1cc(N2CCC(NC(=O)C3CCCCC3)CC2)cc[nH+]1 ZINC000302221953 230178098 /nfs/dbraw/zinc/17/80/98/230178098.db2.gz OEJSPEZKPWDEDL-UHFFFAOYSA-N 1 0 301.434 3.055 10 0 DGAERO Cc1csc2nc(C)nc(N[C@H]3C[N@H+](C(C)C)C[C@H]3C)c12 ZINC000302294684 230209441 /nfs/dbraw/zinc/20/94/41/230209441.db2.gz OGEQDKGHQIOXHN-MFKMUULPSA-N 1 0 304.463 3.449 10 0 DGAERO CCC[C@@H](C(=O)N1CCC(c2ccccc2C)CC1)[NH+](C)C ZINC000179232651 263553788 /nfs/dbraw/zinc/55/37/88/263553788.db2.gz DEPXOEPXRMYDDR-SFHVURJKSA-N 1 0 302.462 3.431 10 0 DGAERO CCOc1ccc(C(=O)N2CCC([NH2+]C3CC(C)C3)CC2)cc1 ZINC000184311676 263609636 /nfs/dbraw/zinc/60/96/36/263609636.db2.gz WJWHGCBPMXUYME-UHFFFAOYSA-N 1 0 316.445 3.078 10 0 DGAERO CO[C@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@@H]1C ZINC000188309739 263691450 /nfs/dbraw/zinc/69/14/50/263691450.db2.gz WDOFAXWMNHGGDF-YOEHRIQHSA-N 1 0 305.466 3.325 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CCCCC1 ZINC000189053326 263707478 /nfs/dbraw/zinc/70/74/78/263707478.db2.gz GMOVTOOILAVDFV-KBXCAEBGSA-N 1 0 318.436 3.485 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)Nc1nc(C(C)C)cs1 ZINC000190947694 263746713 /nfs/dbraw/zinc/74/67/13/263746713.db2.gz QOJZIXKJPJEUCK-UHFFFAOYSA-N 1 0 312.483 3.462 10 0 DGAERO COCCO[C@@H]1CCCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000193559763 263796560 /nfs/dbraw/zinc/79/65/60/263796560.db2.gz LICIQEPAYAQVLG-OAHLLOKOSA-N 1 0 300.402 3.175 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC000194288428 263809848 /nfs/dbraw/zinc/80/98/48/263809848.db2.gz HGVHSLCCQXLZTO-KBXCAEBGSA-N 1 0 321.465 3.240 10 0 DGAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261821992 263871314 /nfs/dbraw/zinc/87/13/14/263871314.db2.gz ARSMFEKALDIILY-IIDMSEBBSA-N 1 0 304.478 3.402 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@H]1CCCCO1)CC2 ZINC000347477560 264226684 /nfs/dbraw/zinc/22/66/84/264226684.db2.gz CVCGCAJBCRHVON-LJQANCHMSA-N 1 0 301.430 3.249 10 0 DGAERO c1ccc2c(c1)CC[C@@]21C[N@H+](CC[C@H]2CCCCO2)CCO1 ZINC000347502440 264231211 /nfs/dbraw/zinc/23/12/11/264231211.db2.gz ZMESSSVCPFNALJ-IEBWSBKVSA-N 1 0 301.430 3.120 10 0 DGAERO CC(=O)c1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(F)c1 ZINC000347584850 264246082 /nfs/dbraw/zinc/24/60/82/264246082.db2.gz FZAUWIOZOFTMEA-BETUJISGSA-N 1 0 320.408 3.021 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@H+](C[C@H]1CCO[C@H](C)C1)CC2 ZINC000352628330 265108695 /nfs/dbraw/zinc/10/86/95/265108695.db2.gz LWDVCRSTUVRPDZ-ZBFHGGJFSA-N 1 0 301.430 3.105 10 0 DGAERO CCC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000247445541 432230153 /nfs/dbraw/zinc/23/01/53/432230153.db2.gz SHWCJOYOSQDIQH-NJAFHUGGSA-N 1 0 302.462 3.415 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2csc3ccccc23)C1 ZINC000247442757 432229760 /nfs/dbraw/zinc/22/97/60/432229760.db2.gz SCPWLTXFIOQIOQ-SWLSCSKDSA-N 1 0 302.443 3.360 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc(F)ccc2s1 ZINC000247470868 432232087 /nfs/dbraw/zinc/23/20/87/432232087.db2.gz RQIVCECPAKZIBY-FZMZJTMJSA-N 1 0 318.417 3.349 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247462943 432232255 /nfs/dbraw/zinc/23/22/55/432232255.db2.gz UOFZHVNNNJAJJD-HLLBOEOZSA-N 1 0 303.450 3.084 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000355227962 266007552 /nfs/dbraw/zinc/00/75/52/266007552.db2.gz VIIZEQXXZUQMCL-YCPHGPKFSA-N 1 0 322.474 3.243 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1(CC(N)=O)CCC1 ZINC000356404520 266382113 /nfs/dbraw/zinc/38/21/13/266382113.db2.gz CHIFTRRGCJKOSG-FMIVXFBMSA-N 1 0 324.371 3.079 10 0 DGAERO Cc1ccc(CN2CCC[C@H](C)[C@H]2C[NH3+])c(Br)c1 ZINC000228282913 274740914 /nfs/dbraw/zinc/74/09/14/274740914.db2.gz GFTPAUPFHVAWSO-SWLSCSKDSA-N 1 0 311.267 3.317 10 0 DGAERO CN(C(=O)C[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000172757036 432234315 /nfs/dbraw/zinc/23/43/15/432234315.db2.gz AMWQHRAVRVOJAQ-IRXDYDNUSA-N 1 0 300.446 3.049 10 0 DGAERO Cc1c([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cnn1C(C)C ZINC000191204636 432234388 /nfs/dbraw/zinc/23/43/88/432234388.db2.gz JNUUHQHLRYWZNO-GFCCVEGCSA-N 1 0 305.397 3.255 10 0 DGAERO Cc1ccc(NC(=O)CSC(C)(C)C)c(OCC[NH+](C)C)c1 ZINC000151311802 432236754 /nfs/dbraw/zinc/23/67/54/432236754.db2.gz YMCMANKFIAVDAP-UHFFFAOYSA-N 1 0 324.490 3.406 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000247490464 432235435 /nfs/dbraw/zinc/23/54/35/432235435.db2.gz UFVNXKRVZYCVEK-XPKDYRNWSA-N 1 0 322.399 3.059 10 0 DGAERO CCc1nn(C)c(CC)c1C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000191226370 432237481 /nfs/dbraw/zinc/23/74/81/432237481.db2.gz NVXQGRRVOILWKG-UHFFFAOYSA-N 1 0 319.493 3.469 10 0 DGAERO CCC1(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CCC1 ZINC000182884601 432237984 /nfs/dbraw/zinc/23/79/84/432237984.db2.gz WUDVDUURYSEOKD-CABCVRRESA-N 1 0 307.482 3.271 10 0 DGAERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)nc2ccccc12 ZINC000247526433 432238629 /nfs/dbraw/zinc/23/86/29/432238629.db2.gz WVJFHKMCVNJZNM-GJZGRUSLSA-N 1 0 311.429 3.098 10 0 DGAERO C[C@@H]1CCc2sc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)cc2C1 ZINC000247536955 432239512 /nfs/dbraw/zinc/23/95/12/432239512.db2.gz YBEDAJGHZYFJFK-NFAWXSAZSA-N 1 0 318.486 3.182 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000191262122 432240001 /nfs/dbraw/zinc/24/00/01/432240001.db2.gz DHFJWJGZLDHTLC-RYUDHWBXSA-N 1 0 317.351 3.361 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247546567 432240044 /nfs/dbraw/zinc/24/00/44/432240044.db2.gz YLONFLIRPOJKOV-RYRKJORJSA-N 1 0 302.462 3.369 10 0 DGAERO Cc1ccc2cccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)c2n1 ZINC000247526813 432240154 /nfs/dbraw/zinc/24/01/54/432240154.db2.gz ZLOGOQDZICJQHT-DYVFJYSZSA-N 1 0 311.429 3.002 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000247542927 432240476 /nfs/dbraw/zinc/24/04/76/432240476.db2.gz PGTRQIWTJVQHFL-GDBMZVCRSA-N 1 0 314.433 3.214 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000247549086 432241955 /nfs/dbraw/zinc/24/19/55/432241955.db2.gz YQHYWWJAFLNQGG-FUHWJXTLSA-N 1 0 302.462 3.035 10 0 DGAERO C[C@H](NC(=O)N1CCCC1(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938869 432242483 /nfs/dbraw/zinc/24/24/83/432242483.db2.gz LLUPYHNTYYJQMQ-GJZGRUSLSA-N 1 0 307.482 3.223 10 0 DGAERO CN(CCN1CCO[C@@H](c2cccs2)C1)c1ccccc1 ZINC000247646853 432244802 /nfs/dbraw/zinc/24/48/02/432244802.db2.gz WEFSBBDGKCKXHV-MRXNPFEDSA-N 1 0 302.443 3.258 10 0 DGAERO C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000151474748 432248712 /nfs/dbraw/zinc/24/87/12/432248712.db2.gz QFHXGQBOTVJIPB-DZGCQCFKSA-N 1 0 302.443 3.271 10 0 DGAERO Clc1sc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1Br ZINC000367574179 271046059 /nfs/dbraw/zinc/04/60/59/271046059.db2.gz IZNAQJUSPGROBB-PSVAKVPMSA-N 1 0 322.655 3.146 10 0 DGAERO Cc1cc(CC[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)on1 ZINC000367699068 271065815 /nfs/dbraw/zinc/06/58/15/271065815.db2.gz RLOSFPNBSALWQI-MSOLQXFVSA-N 1 0 314.429 3.499 10 0 DGAERO Cc1cc(CC[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)on1 ZINC000367699069 271065939 /nfs/dbraw/zinc/06/59/39/271065939.db2.gz RLOSFPNBSALWQI-QZTJIDSGSA-N 1 0 314.429 3.499 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CCCc2ccccn2)c2ccccc2C1 ZINC000368032971 271121220 /nfs/dbraw/zinc/12/12/20/271121220.db2.gz AUIGLTZXDGTEHW-HXUWFJFHSA-N 1 0 323.440 3.097 10 0 DGAERO CCCCc1noc([C@@H](C)[N@@H+]2CCCC3(CCOCC3)C2)n1 ZINC000369373950 271270458 /nfs/dbraw/zinc/27/04/58/271270458.db2.gz GOXLLGAWZKMZAP-CQSZACIVSA-N 1 0 307.438 3.366 10 0 DGAERO CC(C)CSCCC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369555554 271292817 /nfs/dbraw/zinc/29/28/17/271292817.db2.gz DVKUOPMASJOOOI-INIZCTEOSA-N 1 0 301.496 3.036 10 0 DGAERO CC(=O)c1cccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000370489321 271364363 /nfs/dbraw/zinc/36/43/63/271364363.db2.gz BCZDCCRLXHXWBS-UHFFFAOYSA-N 1 0 315.417 3.028 10 0 DGAERO CCOCCN1CC[N@@H+]([C@H](C)CCc2ccccc2)C[C@@H]1CC ZINC000247807984 432250896 /nfs/dbraw/zinc/25/08/96/432250896.db2.gz TYLGNSPLRHUPDU-QUCCMNQESA-N 1 0 318.505 3.440 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)ns1 ZINC000373070973 271591874 /nfs/dbraw/zinc/59/18/74/271591874.db2.gz QRSQSDMZATXGLP-OAHLLOKOSA-N 1 0 321.490 3.180 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC12CCC2)c1ccco1 ZINC000373105172 271595357 /nfs/dbraw/zinc/59/53/57/271595357.db2.gz VMKBRACBYLXODE-HNNXBMFYSA-N 1 0 319.449 3.391 10 0 DGAERO C[NH2+]CCN(C)C(=O)CC1(CCc2ccccc2)CCCC1 ZINC000263243424 273960501 /nfs/dbraw/zinc/96/05/01/273960501.db2.gz MASWBTSOARHQPJ-UHFFFAOYSA-N 1 0 302.462 3.248 10 0 DGAERO CS[C@@H]1CCCC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000092064132 274179131 /nfs/dbraw/zinc/17/91/31/274179131.db2.gz PLUXRXZXDUUQIN-OAHLLOKOSA-N 1 0 304.463 3.064 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCOc2ccccc21)C1CCCC1 ZINC000246380369 274254177 /nfs/dbraw/zinc/25/41/77/274254177.db2.gz MQJQAAKHZQZHRD-KEYYUXOJSA-N 1 0 316.445 3.183 10 0 DGAERO C[C@@H]1CN(Cc2ccc(Br)cc2Cl)[C@H](C)C[NH2+]1 ZINC000168246537 274353950 /nfs/dbraw/zinc/35/39/50/274353950.db2.gz OQLMIMUYTDHHSS-NXEZZACHSA-N 1 0 317.658 3.285 10 0 DGAERO C[C@H]1CCN(c2ncc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000261543796 274563842 /nfs/dbraw/zinc/56/38/42/274563842.db2.gz UZQFKQACTWVMOO-WPRPVWTQSA-N 1 0 318.646 3.061 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237848544 274668843 /nfs/dbraw/zinc/66/88/43/274668843.db2.gz LLBISYVINMDRQE-MFKMUULPSA-N 1 0 306.793 3.252 10 0 DGAERO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000247982968 432259662 /nfs/dbraw/zinc/25/96/62/432259662.db2.gz INRUMPPCVGIEQO-NIHZBZNOSA-N 1 0 311.425 3.435 10 0 DGAERO Cc1oc2ccccc2c1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000155884538 274877713 /nfs/dbraw/zinc/87/77/13/274877713.db2.gz SRBZFDJJMBENLV-HNNXBMFYSA-N 1 0 322.412 3.290 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC3CC3)cc2)CCN1C ZINC000191398831 432259918 /nfs/dbraw/zinc/25/99/18/432259918.db2.gz LDZCOHBVUIFQKC-MAUKXSAKSA-N 1 0 302.462 3.390 10 0 DGAERO c1c2cccnc2oc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000449246632 275063549 /nfs/dbraw/zinc/06/35/49/275063549.db2.gz CMJOLPBIIFXAND-LJQANCHMSA-N 1 0 306.365 3.459 10 0 DGAERO Brc1cccc2c1OCC[C@H]2[NH2+]Cc1cccnc1 ZINC000268727206 275375209 /nfs/dbraw/zinc/37/52/09/275375209.db2.gz JZGHQDBAZHIALT-CQSZACIVSA-N 1 0 319.202 3.458 10 0 DGAERO CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)n1C ZINC000191889288 275774435 /nfs/dbraw/zinc/77/44/35/275774435.db2.gz LBKKSGUPRRGNJT-DLBZAZTESA-N 1 0 312.461 3.440 10 0 DGAERO CC1(C)CN(c2ncc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000261555504 275851728 /nfs/dbraw/zinc/85/17/28/275851728.db2.gz PTQBXWXJYBDOKB-JTQLQIEISA-N 1 0 318.646 3.061 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091345674 275879292 /nfs/dbraw/zinc/87/92/92/275879292.db2.gz OYXFLVFNQFGIDS-RDTXWAMCSA-N 1 0 303.450 3.411 10 0 DGAERO CCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)[NH+](C)C ZINC000157664044 276038793 /nfs/dbraw/zinc/03/87/93/276038793.db2.gz UMEDGPZCDKHFFE-KGLIPLIRSA-N 1 0 316.367 3.007 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245460463 276073512 /nfs/dbraw/zinc/07/35/12/276073512.db2.gz VUGXKIYRTGKJGD-CABCVRRESA-N 1 0 314.433 3.071 10 0 DGAERO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCCC[C@H]1C ZINC000444683292 276086151 /nfs/dbraw/zinc/08/61/51/276086151.db2.gz XSEZUCPUDYZPSR-UKRRQHHQSA-N 1 0 318.417 3.254 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC2(C1)CCCCC2 ZINC000465885839 276160384 /nfs/dbraw/zinc/16/03/84/276160384.db2.gz DDXFDOFGMYSYKN-INIZCTEOSA-N 1 0 307.482 3.227 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119871132 276252476 /nfs/dbraw/zinc/25/24/76/276252476.db2.gz FPUSEHWSLZVFMD-HKUYNNGSSA-N 1 0 324.509 3.042 10 0 DGAERO CCC[NH+]1CCC(NC(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000466102275 276257839 /nfs/dbraw/zinc/25/78/39/276257839.db2.gz SEOLAWGDGRVOOZ-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nnc(-c2ccccc2)s1 ZINC000155300402 276377542 /nfs/dbraw/zinc/37/75/42/276377542.db2.gz JCCRSAODJOIXPZ-HNNXBMFYSA-N 1 0 316.474 3.121 10 0 DGAERO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261771279 276418875 /nfs/dbraw/zinc/41/88/75/276418875.db2.gz OIWTWUXEKRLPDR-BFYDXBDKSA-N 1 0 318.461 3.164 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000181845922 276795922 /nfs/dbraw/zinc/79/59/22/276795922.db2.gz IFJVAUXXKQRQJX-JTQLQIEISA-N 1 0 320.742 3.135 10 0 DGAERO CN1C(=O)CCc2cc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)ccc21 ZINC000186992293 277009155 /nfs/dbraw/zinc/00/91/55/277009155.db2.gz CIMASQMLIHSVNN-GOSISDBHSA-N 1 0 324.428 3.046 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000182059745 277083314 /nfs/dbraw/zinc/08/33/14/277083314.db2.gz IQJYXQYKZRDQFB-KSSFIOAISA-N 1 0 305.466 3.272 10 0 DGAERO COC(=O)C1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000190569018 277312155 /nfs/dbraw/zinc/31/21/55/277312155.db2.gz DLZNPJAFOAETKI-ZUEPYMLJSA-N 1 0 303.402 3.091 10 0 DGAERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC12CCC2 ZINC000458940987 277438928 /nfs/dbraw/zinc/43/89/28/277438928.db2.gz SFNFPDOZJHXTFZ-INIZCTEOSA-N 1 0 307.482 3.225 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H]1CCOc2ccccc21 ZINC000117767826 277477780 /nfs/dbraw/zinc/47/77/80/277477780.db2.gz WSIFNPNZJVOIFC-HZPDHXFCSA-N 1 0 318.461 3.035 10 0 DGAERO CC(C)c1ccc(/C=C\CC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000492096759 278021449 /nfs/dbraw/zinc/02/14/49/278021449.db2.gz YOVFGJQULWNVHX-PLNGDYQASA-N 1 0 300.446 3.424 10 0 DGAERO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000188731625 278117558 /nfs/dbraw/zinc/11/75/58/278117558.db2.gz NYYKRBVYELZWBC-IRXDYDNUSA-N 1 0 307.459 3.009 10 0 DGAERO C[C@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccnc1 ZINC000082119196 278154860 /nfs/dbraw/zinc/15/48/60/278154860.db2.gz NVXKTHWUEZKFSB-QFBILLFUSA-N 1 0 323.440 3.138 10 0 DGAERO C[C@H](C[NH+]1C[C@H]2CCCC[C@@H]2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449034780 278196452 /nfs/dbraw/zinc/19/64/52/278196452.db2.gz KTIQGQYLOYQABY-DJIMGWMZSA-N 1 0 321.486 3.316 10 0 DGAERO CC1(C)CCC[N@H+](CCNC(=O)N[C@@H]2CCC23CCCC3)C1 ZINC000447810600 278214725 /nfs/dbraw/zinc/21/47/25/278214725.db2.gz JVYPNWYCSHTXQG-OAHLLOKOSA-N 1 0 307.482 3.130 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000192046076 278283512 /nfs/dbraw/zinc/28/35/12/278283512.db2.gz SJVNDUOFJCYGNI-TUKIKUTGSA-N 1 0 324.852 3.063 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC000184633708 278338998 /nfs/dbraw/zinc/33/89/98/278338998.db2.gz HGBBEDSKSLYGDY-OAHLLOKOSA-N 1 0 315.461 3.394 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C1CCCC1 ZINC000246836507 278357772 /nfs/dbraw/zinc/35/77/72/278357772.db2.gz BZDAUNMQBQJIKJ-BZUAXINKSA-N 1 0 317.477 3.364 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Cl)sc1Cl ZINC000180586623 278376219 /nfs/dbraw/zinc/37/62/19/278376219.db2.gz LKEWRFKHXLBQPM-HTQZYQBOSA-N 1 0 317.245 3.312 10 0 DGAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189047819 278471051 /nfs/dbraw/zinc/47/10/51/278471051.db2.gz UQJADICRKRZBHG-KBRIMQKVSA-N 1 0 304.409 3.095 10 0 DGAERO CC(C)CCSCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107526008 278781139 /nfs/dbraw/zinc/78/11/39/278781139.db2.gz BIRHJKFUTBIASQ-MRXNPFEDSA-N 1 0 312.523 3.243 10 0 DGAERO C[C@@H]1C[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000290984654 279008730 /nfs/dbraw/zinc/00/87/30/279008730.db2.gz YYTPGTRQQGDTFV-LHLIQPBNSA-N 1 0 320.028 3.105 10 0 DGAERO CC[NH+](CC)CCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000191477810 279094519 /nfs/dbraw/zinc/09/45/19/279094519.db2.gz FARRMZZTDFCEER-MRXNPFEDSA-N 1 0 304.434 3.284 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)c1nc2ccccc2n1C ZINC000123107475 279133818 /nfs/dbraw/zinc/13/38/18/279133818.db2.gz YFCIUXTYYYMLFZ-LSDHHAIUSA-N 1 0 302.466 3.200 10 0 DGAERO C[C@H](CC[NH2+][C@@H]1CCSc2c(F)cccc21)[S@](C)=O ZINC000252730410 279267678 /nfs/dbraw/zinc/26/76/78/279267678.db2.gz LHERANMJIHRIOW-FTNGCUSPSA-N 1 0 301.452 3.109 10 0 DGAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)Cc1ccccc1 ZINC000485985398 279323410 /nfs/dbraw/zinc/32/34/10/279323410.db2.gz PESXFCTXIPJVAS-XWTMOSNGSA-N 1 0 316.489 3.348 10 0 DGAERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC12CCC2 ZINC000435577794 279384187 /nfs/dbraw/zinc/38/41/87/279384187.db2.gz FWPORIMDRDTOAO-UHFFFAOYSA-N 1 0 315.461 3.365 10 0 DGAERO C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1ccccc1F ZINC000108959163 431162812 /nfs/dbraw/zinc/16/28/12/431162812.db2.gz UWEMQTAJUPRXSL-KDOFPFPSSA-N 1 0 314.404 3.348 10 0 DGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C(C)C)c1 ZINC000110086994 431181974 /nfs/dbraw/zinc/18/19/74/431181974.db2.gz ZFHGOZZFTZAGPV-QGZVFWFLSA-N 1 0 319.449 3.042 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000068894660 431149668 /nfs/dbraw/zinc/14/96/68/431149668.db2.gz FIJNJUODMXSVCK-RHSMWYFYSA-N 1 0 308.441 3.097 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000111633262 431227813 /nfs/dbraw/zinc/22/78/13/431227813.db2.gz XZYBKGWOUJFZDE-AZUAARDMSA-N 1 0 322.452 3.006 10 0 DGAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccccc1Br ZINC000070086849 431239521 /nfs/dbraw/zinc/23/95/21/431239521.db2.gz XGHRXFISQZXOMN-JTQLQIEISA-N 1 0 313.239 3.144 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000070173828 431242715 /nfs/dbraw/zinc/24/27/15/431242715.db2.gz FSDCFIDRCLEIOX-NEPJUHHUSA-N 1 0 317.260 3.431 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000112005430 431243580 /nfs/dbraw/zinc/24/35/80/431243580.db2.gz QTUMWWCZSQZFCN-MRXNPFEDSA-N 1 0 323.440 3.045 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)C1CCCC1 ZINC000070306519 431249393 /nfs/dbraw/zinc/24/93/93/431249393.db2.gz UBPLWHVFHQSCTQ-GUYCJALGSA-N 1 0 311.853 3.386 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000070573641 431252524 /nfs/dbraw/zinc/25/25/24/431252524.db2.gz JAZBHYDWSDYDKQ-ZJUUUORDSA-N 1 0 302.296 3.041 10 0 DGAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2cc(Br)cs2)no1 ZINC000071306105 431276131 /nfs/dbraw/zinc/27/61/31/431276131.db2.gz MWZFNVLCUVTVKO-QMMMGPOBSA-N 1 0 316.224 3.086 10 0 DGAERO Cc1cnn(CC[NH2+][C@H](C)c2ccccc2Br)c1 ZINC000112552235 431283232 /nfs/dbraw/zinc/28/32/32/431283232.db2.gz UQLQITWTPJWEFV-GFCCVEGCSA-N 1 0 308.223 3.305 10 0 DGAERO Cc1cccc(C)c1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000071790524 431287156 /nfs/dbraw/zinc/28/71/56/431287156.db2.gz HFENLDCWRDNAKI-LSDHHAIUSA-N 1 0 304.434 3.355 10 0 DGAERO CCCn1cc(CN2CCC[N@H+](CCC(C)(C)C)CC2)cn1 ZINC000112697872 431297468 /nfs/dbraw/zinc/29/74/68/431297468.db2.gz VOHQOUURTWVUCF-UHFFFAOYSA-N 1 0 306.498 3.237 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000113998169 431371333 /nfs/dbraw/zinc/37/13/33/431371333.db2.gz DREHZMGOCDMAAI-KRWDZBQOSA-N 1 0 309.425 3.009 10 0 DGAERO C[C@H]1CCCCN1c1cc(N2CCOCC2)c2ccccc2[nH+]1 ZINC000253495301 279653476 /nfs/dbraw/zinc/65/34/76/279653476.db2.gz XPGCRPBHTOFTNR-HNNXBMFYSA-N 1 0 311.429 3.450 10 0 DGAERO Cc1cc2[nH]c(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cc2c(C)c1 ZINC000113228972 431333677 /nfs/dbraw/zinc/33/36/77/431333677.db2.gz CVIHCVZTJBZAIV-LSDHHAIUSA-N 1 0 311.429 3.093 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccc(Cl)s1 ZINC000113232969 431334904 /nfs/dbraw/zinc/33/49/04/431334904.db2.gz KCULMGSFJMPUMX-NWDGAFQWSA-N 1 0 312.866 3.029 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccc(Cl)s1 ZINC000113232967 431335447 /nfs/dbraw/zinc/33/54/47/431335447.db2.gz KCULMGSFJMPUMX-VXGBXAGGSA-N 1 0 312.866 3.029 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(-c2cccs2)on1 ZINC000113270962 431338429 /nfs/dbraw/zinc/33/84/29/431338429.db2.gz WKKIOUFVJSCZSN-GXTWGEPZSA-N 1 0 303.431 3.072 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000072850350 431350702 /nfs/dbraw/zinc/35/07/02/431350702.db2.gz UGJPGRKAQJSYDV-KGLIPLIRSA-N 1 0 320.399 3.344 10 0 DGAERO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000072901242 431354139 /nfs/dbraw/zinc/35/41/39/431354139.db2.gz JLIFVXOCSWKXJP-LLVKDONJSA-N 1 0 316.417 3.367 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000073291230 431367246 /nfs/dbraw/zinc/36/72/46/431367246.db2.gz KYKZHBQVMQPNMO-HNNXBMFYSA-N 1 0 315.461 3.255 10 0 DGAERO COc1ccc(C[NH2+]CC[C@@H](C)O)cc1OCc1ccccc1 ZINC000114771007 431414208 /nfs/dbraw/zinc/41/42/08/431414208.db2.gz YDRUXXJXYSCXQF-OAHLLOKOSA-N 1 0 315.413 3.135 10 0 DGAERO C[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C[NH3+])C1 ZINC000262537313 279722659 /nfs/dbraw/zinc/72/26/59/279722659.db2.gz QLXUMSASGDIDPP-JSGCOSHPSA-N 1 0 324.852 3.061 10 0 DGAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114564021 431398926 /nfs/dbraw/zinc/39/89/26/431398926.db2.gz LXUYXRJOKZXOEX-PMACEKPBSA-N 1 0 315.457 3.386 10 0 DGAERO CC(C)CN(CC(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792901 431438755 /nfs/dbraw/zinc/43/87/55/431438755.db2.gz VNDXEAWHFMBTDN-ALOPSCKCSA-N 1 0 309.498 3.325 10 0 DGAERO CCOc1c(F)cccc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000074952796 431444669 /nfs/dbraw/zinc/44/46/69/431444669.db2.gz HEGIINQKFCGFIO-OAHLLOKOSA-N 1 0 324.440 3.321 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2cccs2)C1 ZINC000115349880 431450362 /nfs/dbraw/zinc/45/03/62/431450362.db2.gz AWTGKGGQNFGHOE-CQSZACIVSA-N 1 0 308.491 3.262 10 0 DGAERO Cc1sc2cc(C(=O)N3CCCC3)[nH]c2c1C[NH+]1CCCC1 ZINC000075487385 431481261 /nfs/dbraw/zinc/48/12/61/431481261.db2.gz RCJQFJHHKZZDGK-UHFFFAOYSA-N 1 0 317.458 3.370 10 0 DGAERO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000115784535 431473472 /nfs/dbraw/zinc/47/34/72/431473472.db2.gz DLKUKCUJIXJSHO-UONOGXRCSA-N 1 0 323.868 3.384 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](SC)C2)C12CCOCC2 ZINC000248985059 279881506 /nfs/dbraw/zinc/88/15/06/279881506.db2.gz JUBQFSSANAZBPX-XUWVNRHRSA-N 1 0 313.507 3.224 10 0 DGAERO Cc1cc(C)cc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1 ZINC000011754608 431481599 /nfs/dbraw/zinc/48/15/99/431481599.db2.gz JERNCSFGAVDPEK-KRWDZBQOSA-N 1 0 307.397 3.293 10 0 DGAERO CC(C)[C@H](C)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000075688523 431491025 /nfs/dbraw/zinc/49/10/25/431491025.db2.gz LDDPABTVPWGUOG-RDJZCZTQSA-N 1 0 303.450 3.167 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)C2)cn1 ZINC000116319577 431501827 /nfs/dbraw/zinc/50/18/27/431501827.db2.gz KRBBWZUOGWCVRK-GFCCVEGCSA-N 1 0 314.414 3.126 10 0 DGAERO O[C@H](COCc1ccccc1F)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404463 431510074 /nfs/dbraw/zinc/51/00/74/431510074.db2.gz VZHHAVWEENWVJY-DOTOQJQBSA-N 1 0 319.376 3.133 10 0 DGAERO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075969029 431511113 /nfs/dbraw/zinc/51/11/13/431511113.db2.gz BNMWXUXRMRGONL-GOEBONIOSA-N 1 0 324.415 3.213 10 0 DGAERO Cc1ncc(CN2CC[NH+](C[C@@H](C)c3ccccc3)CC2)s1 ZINC000116878784 431533827 /nfs/dbraw/zinc/53/38/27/431533827.db2.gz MGLWSRPQUYQWKE-OAHLLOKOSA-N 1 0 315.486 3.373 10 0 DGAERO CCCn1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cn1 ZINC000116912181 431537237 /nfs/dbraw/zinc/53/72/37/431537237.db2.gz PEKDPCPFQWEILN-KRWDZBQOSA-N 1 0 316.449 3.203 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc3ccccc32)[C@H](C)C1 ZINC000076478883 431551957 /nfs/dbraw/zinc/55/19/57/431551957.db2.gz OJSXNLBVFCMFEG-KDOFPFPSSA-N 1 0 311.429 3.037 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000076985993 431568887 /nfs/dbraw/zinc/56/88/87/431568887.db2.gz SRPOLMXLGMKHNF-RBUKOAKNSA-N 1 0 314.473 3.372 10 0 DGAERO CC[C@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000074792848 288214625 /nfs/dbraw/zinc/21/46/25/288214625.db2.gz CXOVCJCLPXBAMP-XYTVBORESA-N 1 0 307.482 3.223 10 0 DGAERO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262049935 280357553 /nfs/dbraw/zinc/35/75/53/280357553.db2.gz HFZWVNFFZCINJL-BLLLJJGKSA-N 1 0 308.853 3.351 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000077455818 431596981 /nfs/dbraw/zinc/59/69/81/431596981.db2.gz XKQDQCRBFVKZNW-SFHVURJKSA-N 1 0 301.434 3.149 10 0 DGAERO CC1(C)CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000077355086 431586779 /nfs/dbraw/zinc/58/67/79/431586779.db2.gz LGZJCRQAWLEHGE-QGZVFWFLSA-N 1 0 300.446 3.300 10 0 DGAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000077369517 431588344 /nfs/dbraw/zinc/58/83/44/431588344.db2.gz VIZMHQXEDAAVBU-GASCZTMLSA-N 1 0 312.413 3.278 10 0 DGAERO Cc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(C)n1C(C)C ZINC000077730037 431622047 /nfs/dbraw/zinc/62/20/47/431622047.db2.gz KLLBAVBDUIWCJJ-INIZCTEOSA-N 1 0 307.482 3.392 10 0 DGAERO CC[NH+](CC)[C@@H](C(=O)NCCCCSC)c1ccccc1 ZINC000119046260 431639540 /nfs/dbraw/zinc/63/95/40/431639540.db2.gz BSKUZIIFQXQCEB-MRXNPFEDSA-N 1 0 308.491 3.329 10 0 DGAERO Cc1ccc2oc(N3CC[NH+](CCCOC(C)C)CC3)nc2c1 ZINC000119135097 431649640 /nfs/dbraw/zinc/64/96/40/431649640.db2.gz WFCYOHFYDIZYBN-UHFFFAOYSA-N 1 0 317.433 3.073 10 0 DGAERO CC(C)[C@@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000078435288 431670637 /nfs/dbraw/zinc/67/06/37/431670637.db2.gz JWAPHYVCCZYQET-MRXNPFEDSA-N 1 0 317.477 3.037 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1NC(C)=O ZINC000119328392 431676090 /nfs/dbraw/zinc/67/60/90/431676090.db2.gz XZIZDPDGEYFSNR-SWLSCSKDSA-N 1 0 320.433 3.262 10 0 DGAERO CC(C)C[C@@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1cccnc1 ZINC000027522657 431690470 /nfs/dbraw/zinc/69/04/70/431690470.db2.gz JXINMQRKXSOEBV-LJQANCHMSA-N 1 0 319.493 3.360 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000119446868 431692291 /nfs/dbraw/zinc/69/22/91/431692291.db2.gz SEOIWAVAIPUGQA-GFCCVEGCSA-N 1 0 313.357 3.098 10 0 DGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000078691203 431696799 /nfs/dbraw/zinc/69/67/99/431696799.db2.gz HXKORBQWRJRJIX-VXGBXAGGSA-N 1 0 310.413 3.178 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@H]1C1CCCC1 ZINC000079612705 431733663 /nfs/dbraw/zinc/73/36/63/431733663.db2.gz WFQSMMWJDLKFEK-KRWDZBQOSA-N 1 0 307.482 3.227 10 0 DGAERO C[N@H+](CC1CCCCCC1)C1CCN(CCn2cccn2)CC1 ZINC000121192335 431750903 /nfs/dbraw/zinc/75/09/03/431750903.db2.gz MKUVJEGYJRMYJO-UHFFFAOYSA-N 1 0 318.509 3.250 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)NCCC1CCCC1)c1cccs1 ZINC000031164795 431752537 /nfs/dbraw/zinc/75/25/37/431752537.db2.gz QCHVSWWCKGIVMJ-CQSZACIVSA-N 1 0 309.479 3.230 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121241270 431759130 /nfs/dbraw/zinc/75/91/30/431759130.db2.gz OQHUMJSKFJZQJY-GFCCVEGCSA-N 1 0 321.856 3.300 10 0 DGAERO O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2ccc(F)cc2)C1 ZINC000121275791 431764414 /nfs/dbraw/zinc/76/44/14/431764414.db2.gz XYRWGYVAFYNKMW-RHSMWYFYSA-N 1 0 307.315 3.412 10 0 DGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306324 431720532 /nfs/dbraw/zinc/72/05/32/431720532.db2.gz KPZJGKQNMDVBII-QWHCGFSZSA-N 1 0 322.449 3.048 10 0 DGAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCc2ccsc2)C1 ZINC000079393987 431722387 /nfs/dbraw/zinc/72/23/87/431722387.db2.gz CAEIWXNOFOJNNQ-OAHLLOKOSA-N 1 0 323.506 3.102 10 0 DGAERO CC[N@@H+]1CCC[C@H](NCc2cc(F)ccc2Br)C1 ZINC000121453711 431788351 /nfs/dbraw/zinc/78/83/51/431788351.db2.gz SVLSMNKDBQELEL-ZDUSSCGKSA-N 1 0 315.230 3.162 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000121526212 431798778 /nfs/dbraw/zinc/79/87/78/431798778.db2.gz SGLLLFIJUPXLLJ-KGLIPLIRSA-N 1 0 307.438 3.245 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000121548127 431801345 /nfs/dbraw/zinc/80/13/45/431801345.db2.gz HPJKWWMKSADEPC-ZIAGYGMSSA-N 1 0 318.442 3.054 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)cc1Br ZINC000122128989 431814098 /nfs/dbraw/zinc/81/40/98/431814098.db2.gz FSFURSMJCMZWMC-APPDUMDISA-N 1 0 318.280 3.004 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000080981709 431777492 /nfs/dbraw/zinc/77/74/92/431777492.db2.gz FBDRZIXCHBIANG-GFCCVEGCSA-N 1 0 310.388 3.262 10 0 DGAERO CCc1noc([C@H](C)N2CC[NH+](CC3CCC(C)CC3)CC2)n1 ZINC000121423652 431783312 /nfs/dbraw/zinc/78/33/12/431783312.db2.gz CSIMURGRWHOVBT-PCKAHOCUSA-N 1 0 320.481 3.137 10 0 DGAERO O=C(c1c(F)cccc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917315 431851618 /nfs/dbraw/zinc/85/16/18/431851618.db2.gz OJVDKKFEMNXBAU-FZMZJTMJSA-N 1 0 310.800 3.083 10 0 DGAERO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000123018120 431852195 /nfs/dbraw/zinc/85/21/95/431852195.db2.gz QSXJLLTZUYGINU-OAHLLOKOSA-N 1 0 316.426 3.448 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000087283148 431852957 /nfs/dbraw/zinc/85/29/57/431852957.db2.gz LCDAKIAIDFPNSF-BPUTZDHNSA-N 1 0 321.440 3.367 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2csc(-c3ccco3)n2)CC[N@@H+]1C ZINC000123074945 431854103 /nfs/dbraw/zinc/85/41/03/431854103.db2.gz AAQCUXJMOBEQIY-TZMCWYRMSA-N 1 0 305.447 3.318 10 0 DGAERO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1SC ZINC000123407748 431864169 /nfs/dbraw/zinc/86/41/69/431864169.db2.gz QGNMXGKKNVINDN-DZGCQCFKSA-N 1 0 308.491 3.332 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000123434400 431865085 /nfs/dbraw/zinc/86/50/85/431865085.db2.gz TXDPDFSAFSORLR-STQMWFEESA-N 1 0 316.367 3.077 10 0 DGAERO COc1ccccc1/C(C)=C/C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123515932 431867326 /nfs/dbraw/zinc/86/73/26/431867326.db2.gz YIDUPJPGYIEKIR-XRZYUTHKSA-N 1 0 316.445 3.040 10 0 DGAERO Cc1cc(C)cc(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123599326 431869395 /nfs/dbraw/zinc/86/93/95/431869395.db2.gz MXVVRDGQIRJXCR-IAGOWNOFSA-N 1 0 318.461 3.013 10 0 DGAERO CCC[N@@H+](Cc1cccs1)C[C@@H](O)COCc1ccco1 ZINC000036031086 431834352 /nfs/dbraw/zinc/83/43/52/431834352.db2.gz VAXROLDJIXZBRD-CQSZACIVSA-N 1 0 309.431 3.131 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccccc3o2)[C@H](C)C1 ZINC000122495434 431834875 /nfs/dbraw/zinc/83/48/75/431834875.db2.gz ATQULABXJPGVBY-UKRRQHHQSA-N 1 0 300.402 3.235 10 0 DGAERO COCCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccccc1 ZINC000036095456 431835763 /nfs/dbraw/zinc/83/57/63/431835763.db2.gz LIDVLWZOCLVANN-LJQANCHMSA-N 1 0 317.404 3.398 10 0 DGAERO CC(C)NC(=O)CC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000124888017 431907619 /nfs/dbraw/zinc/90/76/19/431907619.db2.gz ZGJLLXGJBVUVHW-UHFFFAOYSA-N 1 0 303.233 3.340 10 0 DGAERO Fc1ccc(OCCN2CCO[C@H](c3ccsc3)C2)cc1 ZINC000125045737 431911558 /nfs/dbraw/zinc/91/15/58/431911558.db2.gz BSJJJYXIQPXKIT-INIZCTEOSA-N 1 0 307.390 3.340 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000047764907 431915373 /nfs/dbraw/zinc/91/53/73/431915373.db2.gz CPFVUUZNICGMCZ-CQSZACIVSA-N 1 0 307.438 3.246 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1OCC(=O)N(C)C ZINC000093530196 431915826 /nfs/dbraw/zinc/91/58/26/431915826.db2.gz VOTJKJRLMBXOSM-QGZVFWFLSA-N 1 0 318.461 3.308 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)o1 ZINC000048060236 431918260 /nfs/dbraw/zinc/91/82/60/431918260.db2.gz NDIXXUHRUHIYDQ-ZBFHGGJFSA-N 1 0 315.417 3.251 10 0 DGAERO CCOc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000048120256 431919663 /nfs/dbraw/zinc/91/96/63/431919663.db2.gz DJMFRJJKTQQNKC-UHFFFAOYSA-N 1 0 317.433 3.177 10 0 DGAERO Clc1nc2ccccc2nc1OCCC[C@@H]1CCC[NH2+]C1 ZINC000095070480 431920462 /nfs/dbraw/zinc/92/04/62/431920462.db2.gz AXZHFSSFGLYWOQ-LBPRGKRZSA-N 1 0 305.809 3.442 10 0 DGAERO CN(C[C@@H]1CCC[NH2+]C1)c1ncc(C(F)(F)F)cc1Cl ZINC000095071072 431920467 /nfs/dbraw/zinc/92/04/67/431920467.db2.gz ZOVMRFTWTVTJQM-SECBINFHSA-N 1 0 307.747 3.190 10 0 DGAERO O=C(OCc1ccccc1)N(C[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000095076930 431921439 /nfs/dbraw/zinc/92/14/39/431921439.db2.gz FCGKOTIDFDUPTK-ZDUSSCGKSA-N 1 0 316.323 3.287 10 0 DGAERO OCc1nc2ccccc2n1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095078402 431921593 /nfs/dbraw/zinc/92/15/93/431921593.db2.gz HTWUNSHZUQJOHA-QGZVFWFLSA-N 1 0 321.424 3.051 10 0 DGAERO C[C@H](c1ccccn1)[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095088727 431921652 /nfs/dbraw/zinc/92/16/52/431921652.db2.gz LCYMQQMRCPFCAX-ZIAGYGMSSA-N 1 0 305.422 3.084 10 0 DGAERO O=C(OCc1ccccc1)N(C[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095076943 431921714 /nfs/dbraw/zinc/92/17/14/431921714.db2.gz IDOYZQRIWAOIMA-ZDUSSCGKSA-N 1 0 316.323 3.145 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000095089260 431922078 /nfs/dbraw/zinc/92/20/78/431922078.db2.gz HPBCBZCJAWPJCN-VXGBXAGGSA-N 1 0 311.451 3.051 10 0 DGAERO CCc1ccc([C@@H](C)N[C@H]2CCCn3nc(COC)nc32)s1 ZINC000125392666 431923809 /nfs/dbraw/zinc/92/38/09/431923809.db2.gz YAHUKUVTAAFBKJ-YPMHNXCESA-N 1 0 320.462 3.234 10 0 DGAERO CC[C@H](C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1)[NH+](C)C ZINC000125411524 431924772 /nfs/dbraw/zinc/92/47/72/431924772.db2.gz ARUCJFLWPFNMPI-RDTXWAMCSA-N 1 0 311.429 3.266 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000089732085 431875994 /nfs/dbraw/zinc/87/59/94/431875994.db2.gz UAMOUXRPJATYPO-DLBZAZTESA-N 1 0 310.445 3.413 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000123866532 431877346 /nfs/dbraw/zinc/87/73/46/431877346.db2.gz LTEBHDDFUTYJOR-HNNXBMFYSA-N 1 0 309.417 3.036 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1scnc1C1CC1 ZINC000089769740 431878532 /nfs/dbraw/zinc/87/85/32/431878532.db2.gz IAZMSKHWSQYIPR-LBPRGKRZSA-N 1 0 309.479 3.261 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]CCn1cc(C)cn1)C(C)C ZINC000124016863 431881044 /nfs/dbraw/zinc/88/10/44/431881044.db2.gz NQWZTGFESBJGIC-KRWDZBQOSA-N 1 0 301.434 3.057 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2csc3ccc(Cl)cc23)C1 ZINC000124033773 431881335 /nfs/dbraw/zinc/88/13/35/431881335.db2.gz BERYDQFJIVAGBF-CYBMUJFWSA-N 1 0 322.861 3.260 10 0 DGAERO COC[C@H](C)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000045656246 431887762 /nfs/dbraw/zinc/88/77/62/431887762.db2.gz USQSKWKVAWFIGU-OLZOCXBDSA-N 1 0 301.377 3.481 10 0 DGAERO CCc1cc(N2CCC(n3cncn3)CC2)c2ccccc2[nH+]1 ZINC000124357516 431891555 /nfs/dbraw/zinc/89/15/55/431891555.db2.gz WTWUHWISHXEUOL-UHFFFAOYSA-N 1 0 307.401 3.230 10 0 DGAERO COc1cccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1F ZINC000090371876 431891605 /nfs/dbraw/zinc/89/16/05/431891605.db2.gz HDIPDIKOPFKOLQ-FZKQIMNGSA-N 1 0 322.424 3.075 10 0 DGAERO CC1(C)C[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2ccc(F)cc2O1 ZINC000090455270 431891772 /nfs/dbraw/zinc/89/17/72/431891772.db2.gz UECAZMUTMFPNQJ-CJNGLKHVSA-N 1 0 315.392 3.298 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000124506925 431896263 /nfs/dbraw/zinc/89/62/63/431896263.db2.gz UOVMFANIJGXVLO-UHFFFAOYSA-N 1 0 313.401 3.196 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1cccs1 ZINC000090938773 431898655 /nfs/dbraw/zinc/89/86/55/431898655.db2.gz VNCCIRDQGHOXJH-CHWSQXEVSA-N 1 0 313.426 3.197 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cccs1 ZINC000090938767 431899107 /nfs/dbraw/zinc/89/91/07/431899107.db2.gz VNCCIRDQGHOXJH-STQMWFEESA-N 1 0 313.426 3.197 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000124645847 431900146 /nfs/dbraw/zinc/90/01/46/431900146.db2.gz PFXBHFRRNSNNJT-HZPDHXFCSA-N 1 0 321.465 3.316 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1C(F)(F)F ZINC000046857641 431901059 /nfs/dbraw/zinc/90/10/59/431901059.db2.gz HZVQLJRJAYRHFN-LBPRGKRZSA-N 1 0 314.351 3.310 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1C(F)(F)F ZINC000046857640 431901467 /nfs/dbraw/zinc/90/14/67/431901467.db2.gz HZVQLJRJAYRHFN-GFCCVEGCSA-N 1 0 314.351 3.310 10 0 DGAERO Cc1cccc(C)c1OCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124698156 431901997 /nfs/dbraw/zinc/90/19/97/431901997.db2.gz MOFWJTHKACBAOE-IAGOWNOFSA-N 1 0 318.461 3.013 10 0 DGAERO Cc1ccc([C@H]2CCCCN2CC(=O)NCc2cccs2)o1 ZINC000124719588 431902450 /nfs/dbraw/zinc/90/24/50/431902450.db2.gz QDRDHXLWGAQSSZ-OAHLLOKOSA-N 1 0 318.442 3.493 10 0 DGAERO CCc1ccc(CCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124744187 431903465 /nfs/dbraw/zinc/90/34/65/431903465.db2.gz DFXXZOCGYSOJGU-CRAIPNDOSA-N 1 0 302.462 3.123 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000091318845 431903807 /nfs/dbraw/zinc/90/38/07/431903807.db2.gz KURRMWVSXWVQPC-PKOBYXMFSA-N 1 0 320.477 3.093 10 0 DGAERO CC[C@H]([NH2+]CCCCOCc1ccccc1)c1cnn(C)c1 ZINC000127439774 431972873 /nfs/dbraw/zinc/97/28/73/431972873.db2.gz XCEUGGGFGPHLKP-SFHVURJKSA-N 1 0 301.434 3.458 10 0 DGAERO COCCCn1cc(C[NH2+]C2CC2)c2c1nc(C)cc2Cl ZINC000095937251 431927275 /nfs/dbraw/zinc/92/72/75/431927275.db2.gz HKDXIBVIXPFQPN-UHFFFAOYSA-N 1 0 307.825 3.287 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Cl)cc1Cl ZINC000125649358 431931697 /nfs/dbraw/zinc/93/16/97/431931697.db2.gz NHQHKECVPHMXCY-IAQYHMDHSA-N 1 0 318.244 3.433 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccccc1F ZINC000125670241 431932450 /nfs/dbraw/zinc/93/24/50/431932450.db2.gz FHIVGCDFQAAPRC-CYBMUJFWSA-N 1 0 316.376 3.033 10 0 DGAERO C[C@H]1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)c2ccccc21 ZINC000125671979 431932506 /nfs/dbraw/zinc/93/25/06/431932506.db2.gz TZJCESYHRJUDBJ-KBXCAEBGSA-N 1 0 315.461 3.266 10 0 DGAERO CCc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000049073011 431935821 /nfs/dbraw/zinc/93/58/21/431935821.db2.gz CIEGUDGMHJJXBS-UHFFFAOYSA-N 1 0 300.446 3.197 10 0 DGAERO O=C(c1cc2ccccc2o1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073817 431936246 /nfs/dbraw/zinc/93/62/46/431936246.db2.gz YWEJOBPLKPZOEZ-UHFFFAOYSA-N 1 0 312.413 3.381 10 0 DGAERO CCOc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000049073772 431936371 /nfs/dbraw/zinc/93/63/71/431936371.db2.gz XHRPCWJUXCYJSY-UHFFFAOYSA-N 1 0 316.445 3.033 10 0 DGAERO Cc1cc2ncc([C@@H](C)[NH2+]CCc3ccsc3)c(C)n2n1 ZINC000049153236 431937509 /nfs/dbraw/zinc/93/75/09/431937509.db2.gz KAOBCWVNQJRYSQ-GFCCVEGCSA-N 1 0 300.431 3.301 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1 ZINC000050395106 431947697 /nfs/dbraw/zinc/94/76/97/431947697.db2.gz HWXKAIBPZMLVOZ-STQMWFEESA-N 1 0 301.217 3.313 10 0 DGAERO CC(C)CO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(C)C ZINC000126420081 431949742 /nfs/dbraw/zinc/94/97/42/431949742.db2.gz FILXHLLCFVHDJQ-DLBZAZTESA-N 1 0 324.509 3.063 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ncc(Br)s1 ZINC000126431009 431950093 /nfs/dbraw/zinc/95/00/93/431950093.db2.gz GZOMNODYBHOXPC-CIUDSAMLSA-N 1 0 305.241 3.124 10 0 DGAERO CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000126552098 431953391 /nfs/dbraw/zinc/95/33/91/431953391.db2.gz LIUFXRILJXHVTI-WBVHZDCISA-N 1 0 316.445 3.118 10 0 DGAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000052762321 431958690 /nfs/dbraw/zinc/95/86/90/431958690.db2.gz WXCZBJJGEYIFRS-GFCCVEGCSA-N 1 0 316.214 3.325 10 0 DGAERO CCc1ccsc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052986149 431959455 /nfs/dbraw/zinc/95/94/55/431959455.db2.gz VSCWVGFGMHIWQW-OAHLLOKOSA-N 1 0 302.443 3.343 10 0 DGAERO C[NH+](C)C1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000097153310 431963418 /nfs/dbraw/zinc/96/34/18/431963418.db2.gz OTCCHXQAJPSFTK-UHFFFAOYSA-N 1 0 303.837 3.414 10 0 DGAERO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000127140451 431965485 /nfs/dbraw/zinc/96/54/85/431965485.db2.gz OFKXDSSOFKIIIP-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000091374806 280992746 /nfs/dbraw/zinc/99/27/46/280992746.db2.gz CZQSBYGJCPROSB-QUCCMNQESA-N 1 0 322.456 3.495 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(Br)cc1F ZINC000127162215 431966427 /nfs/dbraw/zinc/96/64/27/431966427.db2.gz QRSXSABZDXXITA-GXSJLCMTSA-N 1 0 302.187 3.418 10 0 DGAERO CCn1nccc1C[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000127280900 431968167 /nfs/dbraw/zinc/96/81/67/431968167.db2.gz JGLVTLICUHLETN-UHFFFAOYSA-N 1 0 313.445 3.366 10 0 DGAERO C[NH+](C)C[C@@H](NCc1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000097393951 431968895 /nfs/dbraw/zinc/96/88/95/431968895.db2.gz NANJDNBTYZEALA-QGZVFWFLSA-N 1 0 300.450 3.031 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000054322528 431969264 /nfs/dbraw/zinc/96/92/64/431969264.db2.gz DNXPNJQTLRNGLO-LZLYRXPVSA-N 1 0 324.509 3.207 10 0 DGAERO Fc1ccc(CC[NH+]2CCC(NCc3cscn3)CC2)cc1 ZINC000127334641 431970173 /nfs/dbraw/zinc/97/01/73/431970173.db2.gz PIVPKVBISWSLGZ-UHFFFAOYSA-N 1 0 319.449 3.079 10 0 DGAERO C[C@@H]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H]1C ZINC000127813725 431981607 /nfs/dbraw/zinc/98/16/07/431981607.db2.gz MCDIMWVOMFPDBP-KGLIPLIRSA-N 1 0 321.440 3.075 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(c3cccnn3)C1)CC2 ZINC000089732471 281095868 /nfs/dbraw/zinc/09/58/68/281095868.db2.gz JRMPAWZOBPNEPC-AEFFLSMTSA-N 1 0 308.429 3.031 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nnc(C(C)C)n3C1)CC2 ZINC000180533550 281097682 /nfs/dbraw/zinc/09/76/82/281097682.db2.gz FVDHEDOTSPZHHU-RDJZCZTQSA-N 1 0 310.445 3.302 10 0 DGAERO Cc1ccc2nc(C)c(C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])cc2c1 ZINC000261659448 281152328 /nfs/dbraw/zinc/15/23/28/281152328.db2.gz BYUYGWSGEJPGCJ-CJNGLKHVSA-N 1 0 311.429 3.051 10 0 DGAERO CCC1(CO)CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000128170928 431988781 /nfs/dbraw/zinc/98/87/81/431988781.db2.gz LTBTVICMFDDCIR-AWEZNQCLSA-N 1 0 315.417 3.282 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C(C)C)[NH+]2CCCC2)o1 ZINC000101620645 431987182 /nfs/dbraw/zinc/98/71/82/431987182.db2.gz SIGNDQGZPASCMO-LSDHHAIUSA-N 1 0 307.438 3.069 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000133228222 281221014 /nfs/dbraw/zinc/22/10/14/281221014.db2.gz XTPMINPRZYUZFA-QWHCGFSZSA-N 1 0 307.825 3.349 10 0 DGAERO CSc1ccc(CNC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000056943851 431989496 /nfs/dbraw/zinc/98/94/96/431989496.db2.gz VPWCHAQSCQPBPD-UHFFFAOYSA-N 1 0 321.490 3.081 10 0 DGAERO CSc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000056944491 431989771 /nfs/dbraw/zinc/98/97/71/431989771.db2.gz VZSXFOMATBBZFJ-CQSZACIVSA-N 1 0 321.490 3.082 10 0 DGAERO CC[C@]1(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000128858041 281302751 /nfs/dbraw/zinc/30/27/51/281302751.db2.gz YGOYNPIWDRWYDO-XHDPSFHLSA-N 1 0 314.351 3.415 10 0 DGAERO COc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1Cl ZINC000128179151 431989231 /nfs/dbraw/zinc/98/92/31/431989231.db2.gz VKKFPPBLMUOEFS-UHFFFAOYSA-N 1 0 322.836 3.049 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2ccc(C)nc21 ZINC000174983340 288310270 /nfs/dbraw/zinc/31/02/70/288310270.db2.gz FREAHXWDYWDIAM-DLBZAZTESA-N 1 0 323.440 3.242 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Cl)c1 ZINC000173333034 432271621 /nfs/dbraw/zinc/27/16/21/432271621.db2.gz KRGHKFWBTWWWJN-LSDHHAIUSA-N 1 0 307.825 3.431 10 0 DGAERO CC[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000173345743 432274010 /nfs/dbraw/zinc/27/40/10/432274010.db2.gz CFBQPKNWXKLXHM-DLBZAZTESA-N 1 0 310.869 3.228 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cc1OC ZINC000248185156 432274318 /nfs/dbraw/zinc/27/43/18/432274318.db2.gz XEMBHECOOPPTHA-SQWLQELKSA-N 1 0 307.434 3.214 10 0 DGAERO C[C@@H]1CC[C@@H](C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)O1 ZINC000248295167 432278317 /nfs/dbraw/zinc/27/83/17/432278317.db2.gz YJLWAHFSZKEPET-JZXOWHBKSA-N 1 0 322.493 3.057 10 0 DGAERO Cn1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1-c1ccccc1 ZINC000173446003 432278813 /nfs/dbraw/zinc/27/88/13/432278813.db2.gz SNWCQBOVVCTMPZ-KRWDZBQOSA-N 1 0 323.440 3.002 10 0 DGAERO Fc1cccc(-c2cnc(CN3CC[N@@H+]4CCCC[C@H]4C3)o2)c1 ZINC000248343796 432280541 /nfs/dbraw/zinc/28/05/41/432280541.db2.gz KSZNXHAZFAKWFM-INIZCTEOSA-N 1 0 315.392 3.151 10 0 DGAERO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C2CC[NH2+]CC2)o1 ZINC000236972766 281419767 /nfs/dbraw/zinc/41/97/67/281419767.db2.gz LSYVEDDXBDNNDW-BBRMVZONSA-N 1 0 304.434 3.141 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)ccc1F ZINC000191613261 432282857 /nfs/dbraw/zinc/28/28/57/432282857.db2.gz HGTZWWWPTKBCDC-YOEHRIQHSA-N 1 0 317.404 3.397 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH]c(-c2ccccc2)n1 ZINC000248389401 432283610 /nfs/dbraw/zinc/28/36/10/432283610.db2.gz AUKCVIQFNFNSRQ-ROUUACIJSA-N 1 0 310.445 3.135 10 0 DGAERO c1ccc(-c2cnc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)nc2)cc1 ZINC000248393857 432284743 /nfs/dbraw/zinc/28/47/43/432284743.db2.gz HEVASQGQCXEUGZ-QXAKKESOSA-N 1 0 321.424 3.191 10 0 DGAERO CC(C)c1cc(C(=O)N(CC[NH+](C)C)C(C)C)nn1C(C)(C)C ZINC000151874642 432285547 /nfs/dbraw/zinc/28/55/47/432285547.db2.gz LYSMFQBBDYLULA-UHFFFAOYSA-N 1 0 322.497 3.174 10 0 DGAERO CSCCCC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000173611892 432289190 /nfs/dbraw/zinc/28/91/90/432289190.db2.gz XOKKFKZIPDSCQV-OAHLLOKOSA-N 1 0 308.491 3.156 10 0 DGAERO c1cc([C@@H]2CCC[N@H+]2CCO[C@H]2CCCCO2)cc2c1OCO2 ZINC000248582566 432303679 /nfs/dbraw/zinc/30/36/79/432303679.db2.gz PACMBHXVUCKSLX-YJBOKZPZSA-N 1 0 319.401 3.095 10 0 DGAERO CCCCCC[C@H](C)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000173625859 432291351 /nfs/dbraw/zinc/29/13/51/432291351.db2.gz MJADSBSRJMATAM-DLBZAZTESA-N 1 0 324.509 3.305 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCCC(=O)OC(C)(C)C ZINC000248447865 432291500 /nfs/dbraw/zinc/29/15/00/432291500.db2.gz HOJQBSXJWJVTJY-CVEARBPZSA-N 1 0 310.482 3.057 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@H]3CCCC[C@@H]3C)CCO2)n1 ZINC000248447399 432292938 /nfs/dbraw/zinc/29/29/38/432292938.db2.gz CZQBQRWNKZRNSB-QGTPRVQTSA-N 1 0 305.466 3.027 10 0 DGAERO Cc1cc(C(=O)N(CC[NH+](C)C)C(C)C)c(Cl)cc1F ZINC000151985384 432293751 /nfs/dbraw/zinc/29/37/51/432293751.db2.gz HOGAVIPFGTZJKM-UHFFFAOYSA-N 1 0 300.805 3.200 10 0 DGAERO Cc1csc(=O)n1CC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183471678 432295964 /nfs/dbraw/zinc/29/59/64/432295964.db2.gz HSWJQGSDVLUQBC-INIZCTEOSA-N 1 0 316.470 3.325 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1nc2cc(F)ccc2o1 ZINC000152009289 432296679 /nfs/dbraw/zinc/29/66/79/432296679.db2.gz WMDQZHDSIBVINN-CQSZACIVSA-N 1 0 314.364 3.136 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191744459 432297975 /nfs/dbraw/zinc/29/79/75/432297975.db2.gz DAXXNBQLVOXXNJ-CRAIPNDOSA-N 1 0 315.486 3.389 10 0 DGAERO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000183521648 432300199 /nfs/dbraw/zinc/30/01/99/432300199.db2.gz PRGLZCYTOJZJMC-RISCZKNCSA-N 1 0 310.463 3.446 10 0 DGAERO FC(F)(F)c1cnc(N2CCC[N@@H+](C3CC3)CC2)c(Cl)c1 ZINC000057857767 431994202 /nfs/dbraw/zinc/99/42/02/431994202.db2.gz JYHWZQPMVICXBS-UHFFFAOYSA-N 1 0 319.758 3.428 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000128452434 431994788 /nfs/dbraw/zinc/99/47/88/431994788.db2.gz PFRPCSKZZOSFFA-DYVFJYSZSA-N 1 0 302.374 3.062 10 0 DGAERO Cc1cnn(CCCCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128472625 431994833 /nfs/dbraw/zinc/99/48/33/431994833.db2.gz XWJWZVNJHLGGOG-ZWKOTPCHSA-N 1 0 315.465 3.332 10 0 DGAERO Cc1c(CO)cccc1NC(=O)c1cccc(C[NH+]2CC=CC2)c1 ZINC000102485429 431995066 /nfs/dbraw/zinc/99/50/66/431995066.db2.gz BIXGKGDCFMUJHN-UHFFFAOYSA-N 1 0 322.408 3.111 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)NC2CCC(C)CC2)cc1F ZINC000102699584 431996710 /nfs/dbraw/zinc/99/67/10/431996710.db2.gz NQOXCHLABFYBQL-JVWICGRDSA-N 1 0 322.424 3.180 10 0 DGAERO CCOc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1OCC ZINC000102685440 431997456 /nfs/dbraw/zinc/99/74/56/431997456.db2.gz KEDZRORBZLUHEF-CYBMUJFWSA-N 1 0 322.449 3.049 10 0 DGAERO COc1ccccc1-c1nc(C[NH2+][C@@H](C)[C@H]2CCCO2)cs1 ZINC000183152549 432263159 /nfs/dbraw/zinc/26/31/59/432263159.db2.gz BXNXTQQHLUGJSL-SWLSCSKDSA-N 1 0 318.442 3.476 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CCN1C[C@H](c2ccccc2)OCC1(C)C ZINC000248052408 432264064 /nfs/dbraw/zinc/26/40/64/432264064.db2.gz NZPNIQMEYDJUOH-QZTJIDSGSA-N 1 0 302.462 3.323 10 0 DGAERO Cc1cscc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248050653 432264548 /nfs/dbraw/zinc/26/45/48/432264548.db2.gz NTWABWKBYZVFNY-HOTGVXAUSA-N 1 0 300.427 3.232 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000183177271 432264786 /nfs/dbraw/zinc/26/47/86/432264786.db2.gz NFGFYBSIAWGCPQ-JOYOIKCWSA-N 1 0 317.216 3.089 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)cn1 ZINC000183710384 432319088 /nfs/dbraw/zinc/31/90/88/432319088.db2.gz QJDVWESTVKQOED-AWEZNQCLSA-N 1 0 321.465 3.138 10 0 DGAERO OCC[C@H]([NH2+]Cc1nc(C2CCCC2)no1)C1CCCCC1 ZINC000183718284 432319401 /nfs/dbraw/zinc/31/94/01/432319401.db2.gz ZVVDRPKVDZGDJK-HNNXBMFYSA-N 1 0 307.438 3.148 10 0 DGAERO c1cc(OCC2CC2)ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000248819719 432319461 /nfs/dbraw/zinc/31/94/61/432319461.db2.gz FHEGOGVUPUOBEI-MSOLQXFVSA-N 1 0 319.470 3.182 10 0 DGAERO CCn1cc([C@H]2C[N@H+](CC[C@H](C)c3ccccc3)CCO2)cn1 ZINC000248823528 432319664 /nfs/dbraw/zinc/31/96/64/432319664.db2.gz FNSXVTRSQLXNFS-QFBILLFUSA-N 1 0 313.445 3.470 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(-c2ccco2)s1 ZINC000248820689 432320050 /nfs/dbraw/zinc/32/00/50/432320050.db2.gz WRVJVCDGVTZTCU-STQMWFEESA-N 1 0 303.431 3.072 10 0 DGAERO O=C1O[C@@H](C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC12CCC2 ZINC000248826588 432322959 /nfs/dbraw/zinc/32/29/59/432322959.db2.gz HCCUEDJFAKSWRE-CVEARBPZSA-N 1 0 303.377 3.448 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000248857401 432323558 /nfs/dbraw/zinc/32/35/58/432323558.db2.gz AIPPDRYBPXRVQA-DLBZAZTESA-N 1 0 305.466 3.115 10 0 DGAERO COc1ccc(C[C@H](C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1F ZINC000248868130 432325160 /nfs/dbraw/zinc/32/51/60/432325160.db2.gz IRAFDMIALGCFLA-WPPQDWHVSA-N 1 0 321.436 3.416 10 0 DGAERO COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000192029239 432325550 /nfs/dbraw/zinc/32/55/50/432325550.db2.gz QBILXHKJLYYBKY-GFCCVEGCSA-N 1 0 305.809 3.072 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1CO)CCS2 ZINC000248877311 432326033 /nfs/dbraw/zinc/32/60/33/432326033.db2.gz WDXIRPZMNFEERN-VBNZEHGJSA-N 1 0 307.459 3.373 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248871422 432326063 /nfs/dbraw/zinc/32/60/63/432326063.db2.gz JPJVPHNQYAAKAV-UPJWGTAASA-N 1 0 323.403 3.137 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000174162335 432326217 /nfs/dbraw/zinc/32/62/17/432326217.db2.gz MKLTVXMTBLWTMT-CQSZACIVSA-N 1 0 306.425 3.046 10 0 DGAERO CC(C)Cc1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cs1 ZINC000174179570 432328067 /nfs/dbraw/zinc/32/80/67/432328067.db2.gz HGTXHGHETIJRQV-AGUYFDCRSA-N 1 0 321.490 3.087 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1Cl ZINC000174196536 432328347 /nfs/dbraw/zinc/32/83/47/432328347.db2.gz YCLGXVQFSBYIDU-KGLIPLIRSA-N 1 0 318.852 3.393 10 0 DGAERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2cncc(C)c2)C1 ZINC000248908421 432328365 /nfs/dbraw/zinc/32/83/65/432328365.db2.gz ILVOZMYSGKOMLZ-RTBURBONSA-N 1 0 324.424 3.169 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)ccc1OC ZINC000248937041 432329560 /nfs/dbraw/zinc/32/95/60/432329560.db2.gz YKAGGBCQNYBLDA-BOFPYLFWSA-N 1 0 319.445 3.450 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C12CCOCC2 ZINC000249004860 432332296 /nfs/dbraw/zinc/33/22/96/432332296.db2.gz NSBMTZSWGZSDJW-KBRIMQKVSA-N 1 0 307.409 3.451 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccsc3Cl)CC[C@H]21 ZINC000249008826 432333260 /nfs/dbraw/zinc/33/32/60/432333260.db2.gz WCYBIJUTSUSYJC-CMPLNLGQSA-N 1 0 313.854 3.350 10 0 DGAERO FC(F)c1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000183938498 432336135 /nfs/dbraw/zinc/33/61/35/432336135.db2.gz QNGPKWBYVUVTDS-UHFFFAOYSA-N 1 0 318.371 3.491 10 0 DGAERO CSC[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000249196106 432341814 /nfs/dbraw/zinc/34/18/14/432341814.db2.gz BRSIGOAGTYWLLF-KSZLIROESA-N 1 0 323.502 3.079 10 0 DGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000249250096 432343102 /nfs/dbraw/zinc/34/31/02/432343102.db2.gz XHFMYIOCXFTCFY-YNEHKIRRSA-N 1 0 310.413 3.178 10 0 DGAERO CC[C@H]1CN(c2ccccc2)CCN1CC[NH+]1CCCCC1 ZINC000184018853 432345896 /nfs/dbraw/zinc/34/58/96/432345896.db2.gz DCWMLSAZRGTNFL-SFHVURJKSA-N 1 0 301.478 3.073 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C2CCC(OC)CC2)[C@H]1Oc1ccccc1 ZINC000249400107 432347049 /nfs/dbraw/zinc/34/70/49/432347049.db2.gz BUGIUNMWAPGSAE-IOPJTDPYSA-N 1 0 319.445 3.159 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC1=CCCOC1 ZINC000249442511 432349154 /nfs/dbraw/zinc/34/91/54/432349154.db2.gz MNCQZUJSJGWHOQ-ZACQAIPSSA-N 1 0 321.461 3.308 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000249730919 432355711 /nfs/dbraw/zinc/35/57/11/432355711.db2.gz TUPWRFJLXCGTNR-ROUUACIJSA-N 1 0 305.462 3.260 10 0 DGAERO CC1(C[NH2+]Cc2cc(Cl)cc3cccnc32)OCCCO1 ZINC000192250835 432349955 /nfs/dbraw/zinc/34/99/55/432349955.db2.gz UXJOJXVOIYIYQZ-UHFFFAOYSA-N 1 0 306.793 3.131 10 0 DGAERO c1c[nH]c(C2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)n1 ZINC000271193414 432351201 /nfs/dbraw/zinc/35/12/01/432351201.db2.gz NRFATNUSRQSZKW-UHFFFAOYSA-N 1 0 307.401 3.179 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)ccc1F ZINC000152734620 432352428 /nfs/dbraw/zinc/35/24/28/432352428.db2.gz XTMLVWIGOLGZTI-NSHDSACASA-N 1 0 305.397 3.078 10 0 DGAERO CCO[C@H]1C[C@H](Nc2cc(C)nc(C3CC3)n2)C12CCOCC2 ZINC000184105880 432355893 /nfs/dbraw/zinc/35/58/93/432355893.db2.gz YBPBIJHCZLVXTR-GJZGRUSLSA-N 1 0 317.433 3.049 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1cc2ccccc2o1 ZINC000183597157 432307136 /nfs/dbraw/zinc/30/71/36/432307136.db2.gz CSGOEYLYVCWZRO-UHFFFAOYSA-N 1 0 309.369 3.166 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@@H+]([C@@H](C)c3cnccn3)C2)c1 ZINC000248614946 432307485 /nfs/dbraw/zinc/30/74/85/432307485.db2.gz JXQKVFSCKNSTAI-UONOGXRCSA-N 1 0 313.401 3.044 10 0 DGAERO COc1ccccc1CCC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000248631510 432308277 /nfs/dbraw/zinc/30/82/77/432308277.db2.gz ZZOPDWBZEMUTGW-SJLPKXTDSA-N 1 0 313.445 3.407 10 0 DGAERO CCOC[C@H]1CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000183602067 432308638 /nfs/dbraw/zinc/30/86/38/432308638.db2.gz GPISGFLNYYQMHK-JTQLQIEISA-N 1 0 308.369 3.329 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@@H](c3ccccc3)C1(C)C)CC2 ZINC000248634468 432308585 /nfs/dbraw/zinc/30/85/85/432308585.db2.gz JLNMHLBBABNSIH-IXDOHACOSA-N 1 0 324.472 3.327 10 0 DGAERO COc1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1Cl ZINC000248642962 432309308 /nfs/dbraw/zinc/30/93/08/432309308.db2.gz DLNMEEVDBYVSPZ-AAEUAGOBSA-N 1 0 323.824 3.049 10 0 DGAERO Cc1c([C@H](C)[NH2+]Cc2ccnn2C)cnn1-c1cc(C)ccc1C ZINC000152174965 432310718 /nfs/dbraw/zinc/31/07/18/432310718.db2.gz DGNGFLYTSRTZSO-HNNXBMFYSA-N 1 0 323.444 3.382 10 0 DGAERO CCCC[N@H+](CCCO)Cc1sc(C)nc1C(F)(F)F ZINC000183645756 432312329 /nfs/dbraw/zinc/31/23/29/432312329.db2.gz QHWDASHTZVOKBH-UHFFFAOYSA-N 1 0 310.385 3.455 10 0 DGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3sc4ccccc4c3Cl)C[C@H]12 ZINC000248702545 432313179 /nfs/dbraw/zinc/31/31/79/432313179.db2.gz ZXIDZMMCKSLELB-ADEWGFFLSA-N 1 0 320.845 3.364 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000183645141 432313620 /nfs/dbraw/zinc/31/36/20/432313620.db2.gz YUSWGKHEBYLSOZ-HXUWFJFHSA-N 1 0 323.440 3.342 10 0 DGAERO C[C@H]([NH2+]Cc1ccnn1C)[C@H](C)c1nc2ccccc2s1 ZINC000152195398 432313951 /nfs/dbraw/zinc/31/39/51/432313951.db2.gz GFQPUDVIJWMTAI-RYUDHWBXSA-N 1 0 300.431 3.312 10 0 DGAERO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)c3nc(C)cc(=O)[nH]3)C2)cc1 ZINC000248736283 432314168 /nfs/dbraw/zinc/31/41/68/432314168.db2.gz KXIZZASPXDRIIY-DZGCQCFKSA-N 1 0 313.401 3.050 10 0 DGAERO CSCc1cc(C(=O)NCC(C)(C)C[NH+](C)C)ccc1F ZINC000174024696 432314977 /nfs/dbraw/zinc/31/49/77/432314977.db2.gz VVLHSNRGJDKMIA-UHFFFAOYSA-N 1 0 312.454 3.006 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)CC2 ZINC000174029840 432315458 /nfs/dbraw/zinc/31/54/58/432315458.db2.gz OQAVYYAYKYTZJQ-DOMZBBRYSA-N 1 0 302.397 3.206 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCCc3ccccc31)CC2 ZINC000174850431 432374439 /nfs/dbraw/zinc/37/44/39/432374439.db2.gz MEEUKPZHTNKDDD-DOTOQJQBSA-N 1 0 310.445 3.213 10 0 DGAERO CCc1nccn1[C@H]1CCCN(C(=O)NCC2(C)CCCC2)C1 ZINC000153008499 432375023 /nfs/dbraw/zinc/37/50/23/432375023.db2.gz JKWWVKZZOXKPJI-HNNXBMFYSA-N 1 0 318.465 3.372 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000184312780 432377692 /nfs/dbraw/zinc/37/76/92/432377692.db2.gz PPGRWAHJNDRNHA-MRXNPFEDSA-N 1 0 323.440 3.345 10 0 DGAERO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1 ZINC000174923387 432380411 /nfs/dbraw/zinc/38/04/11/432380411.db2.gz BLNGSEPLMPWNQA-HXUWFJFHSA-N 1 0 322.452 3.210 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000192500712 432381468 /nfs/dbraw/zinc/38/14/68/432381468.db2.gz WBMQWKXWNKGLHZ-LJQANCHMSA-N 1 0 310.397 3.375 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000184360054 432382743 /nfs/dbraw/zinc/38/27/43/432382743.db2.gz RHYZNMRZJJXFCL-ABSDTBQOSA-N 1 0 324.472 3.346 10 0 DGAERO FC(F)(F)c1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000192509879 432383793 /nfs/dbraw/zinc/38/37/93/432383793.db2.gz ASADKEDBPLBVBP-SNVBAGLBSA-N 1 0 305.731 3.038 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(Br)cc1 ZINC000252730408 432386602 /nfs/dbraw/zinc/38/66/02/432386602.db2.gz LGXYZVKEIGJVQE-DINDLPBHSA-N 1 0 318.280 3.257 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1C ZINC000175003650 432388325 /nfs/dbraw/zinc/38/83/25/432388325.db2.gz DKZYGTOHQAHMPE-IRXDYDNUSA-N 1 0 313.445 3.020 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C2CCSCC2)C12CCOCC2 ZINC000253232240 432389642 /nfs/dbraw/zinc/38/96/42/432389642.db2.gz BCWMTFAUHSNRNU-VNQPRFMTSA-N 1 0 313.507 3.082 10 0 DGAERO c1cc(CCC[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc2c1OCC2 ZINC000253309180 432389997 /nfs/dbraw/zinc/38/99/97/432389997.db2.gz BUODYNKJAPBHMI-YQVWRLOYSA-N 1 0 301.430 3.101 10 0 DGAERO CCc1sc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)cc1C ZINC000175032931 432391177 /nfs/dbraw/zinc/39/11/77/432391177.db2.gz VQIYGNXCVNBKAJ-UONOGXRCSA-N 1 0 306.475 3.318 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2ccccc2s1 ZINC000175038323 432392162 /nfs/dbraw/zinc/39/21/62/432392162.db2.gz CIXJXLYDXSVVQQ-UONOGXRCSA-N 1 0 301.459 3.355 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000175061147 432392822 /nfs/dbraw/zinc/39/28/22/432392822.db2.gz QQBUGCOIYJSRKJ-LSDHHAIUSA-N 1 0 319.449 3.420 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC000153208533 432393263 /nfs/dbraw/zinc/39/32/63/432393263.db2.gz RYTBTHXYPPEFNH-ZFWWWQNUSA-N 1 0 308.853 3.119 10 0 DGAERO O=C(C1CC[NH+](C2CC2)CC1)N1CCCC[C@H]1c1nccs1 ZINC000192633302 432395250 /nfs/dbraw/zinc/39/52/50/432395250.db2.gz ZBOKEFHIMDONJP-HNNXBMFYSA-N 1 0 319.474 3.071 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCc3cc(F)ccc32)CC1 ZINC000153434637 432407743 /nfs/dbraw/zinc/40/77/43/432407743.db2.gz BRKWAEYATDLFCV-SFHVURJKSA-N 1 0 318.436 3.440 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)c1ccccc1F ZINC000253548156 432398525 /nfs/dbraw/zinc/39/85/25/432398525.db2.gz DPWYWCQVBKCRQN-ZNMIVQPWSA-N 1 0 304.409 3.014 10 0 DGAERO CCC[N@H+](CCc1cccs1)Cc1nnc(C(C)C)n1C ZINC000184507269 432399146 /nfs/dbraw/zinc/39/91/46/432399146.db2.gz AEGJNBYMKIMRHY-UHFFFAOYSA-N 1 0 306.479 3.455 10 0 DGAERO Cc1cc2occ(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c2cc1C ZINC000184524892 432401333 /nfs/dbraw/zinc/40/13/33/432401333.db2.gz MPSRVIIERBNLFN-GJZGRUSLSA-N 1 0 312.413 3.358 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2cccc(Cl)c2)C1 ZINC000249759815 432356126 /nfs/dbraw/zinc/35/61/26/432356126.db2.gz KKVYJOKMZOBRNY-IUODEOHRSA-N 1 0 309.841 3.185 10 0 DGAERO CCSc1cc(Cl)ccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000184115699 432357399 /nfs/dbraw/zinc/35/73/99/432357399.db2.gz RXBWGZKHMLLYMH-ZDUSSCGKSA-N 1 0 324.877 3.372 10 0 DGAERO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000249769059 432358169 /nfs/dbraw/zinc/35/81/69/432358169.db2.gz BKYMJXJWAGCTLN-SIIHOXLZSA-N 1 0 317.477 3.179 10 0 DGAERO C[C@@H](C1CC1)n1nccc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184138978 432359833 /nfs/dbraw/zinc/35/98/33/432359833.db2.gz GDTDMDQSPUUFGB-ZDUSSCGKSA-N 1 0 304.438 3.092 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c3ccc(C)cc23)C1 ZINC000174645854 432361628 /nfs/dbraw/zinc/36/16/28/432361628.db2.gz MXJHXQFAGKEIJY-INIZCTEOSA-N 1 0 313.445 3.009 10 0 DGAERO Clc1ccc(Cl)c(CN2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000249906707 432362887 /nfs/dbraw/zinc/36/28/87/432362887.db2.gz LHBNYRGDNKQMMH-NSHDSACASA-N 1 0 300.233 3.059 10 0 DGAERO CCSc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccn1 ZINC000250130333 432366185 /nfs/dbraw/zinc/36/61/85/432366185.db2.gz WZGGQYQMVBBUAX-NUEKZKHPSA-N 1 0 304.459 3.241 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cc(C(N)=O)co2)C[C@@H](c2ccccc2)C1 ZINC000250145366 432366290 /nfs/dbraw/zinc/36/62/90/432366290.db2.gz ZSYJLIFOULYMTN-QRTARXTBSA-N 1 0 312.413 3.441 10 0 DGAERO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000174764261 432369007 /nfs/dbraw/zinc/36/90/07/432369007.db2.gz KVITUCCWURPSKU-HOTGVXAUSA-N 1 0 302.443 3.365 10 0 DGAERO CC(C)c1cnc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000192395233 432369147 /nfs/dbraw/zinc/36/91/47/432369147.db2.gz JXOJDTVEEPJBMG-NEPJUHHUSA-N 1 0 310.467 3.213 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ncc(C(C)C)s1 ZINC000192399540 432370088 /nfs/dbraw/zinc/37/00/88/432370088.db2.gz WNQRPEBISPCTRO-CHWSQXEVSA-N 1 0 322.478 3.357 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2cc3ccccc3o2)C1 ZINC000175361783 432428109 /nfs/dbraw/zinc/42/81/09/432428109.db2.gz QEJRZYMQCKPLCG-OAHLLOKOSA-N 1 0 315.417 3.059 10 0 DGAERO C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1Cl ZINC000192927018 432430896 /nfs/dbraw/zinc/43/08/96/432430896.db2.gz XIQHWNLGQUVRJP-OAHLLOKOSA-N 1 0 323.795 3.351 10 0 DGAERO Cc1nc2cc(NC(=O)NCCC[NH+]3CCCCC3)ccc2o1 ZINC000192947878 432433022 /nfs/dbraw/zinc/43/30/22/432433022.db2.gz FMFNONQWNQYEIF-UHFFFAOYSA-N 1 0 316.405 3.134 10 0 DGAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261596968 432433594 /nfs/dbraw/zinc/43/35/94/432433594.db2.gz AKFRVTUPDSGIPE-LYRGGWFBSA-N 1 0 324.827 3.358 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC[C@H](C)[C@H]3C[NH3+])c2c1C ZINC000261606558 432433735 /nfs/dbraw/zinc/43/37/35/432433735.db2.gz CYSLBKALPFWLMR-TVQRCGJNSA-N 1 0 304.463 3.180 10 0 DGAERO COC(=O)c1sccc1CN1CCC[C@@H]1c1ccncc1 ZINC000153954063 432459235 /nfs/dbraw/zinc/45/92/35/432459235.db2.gz CBXDBVYELWYXAH-CQSZACIVSA-N 1 0 302.399 3.267 10 0 DGAERO O=C(NCCC[NH2+][C@@H]1CCCc2occc21)c1cccs1 ZINC000192993883 432437556 /nfs/dbraw/zinc/43/75/56/432437556.db2.gz XNWXNTCWUIZNEJ-CYBMUJFWSA-N 1 0 304.415 3.128 10 0 DGAERO O=C(Cc1ccccc1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261662882 432439095 /nfs/dbraw/zinc/43/90/95/432439095.db2.gz FUTXFUPGEREGNH-KRWDZBQOSA-N 1 0 314.816 3.056 10 0 DGAERO CCc1nc(C)c(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)s1 ZINC000261655838 432439282 /nfs/dbraw/zinc/43/92/82/432439282.db2.gz DRRSKEMLLWMEAD-UHFFFAOYSA-N 1 0 319.405 3.051 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccnn2C)n(-c2ccccc2)n1 ZINC000193036406 432441546 /nfs/dbraw/zinc/44/15/46/432441546.db2.gz SYBUEMKVMZVALH-HOCLYGCPSA-N 1 0 323.444 3.196 10 0 DGAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc(C)s1 ZINC000261717701 432443511 /nfs/dbraw/zinc/44/35/11/432443511.db2.gz MZONTOWVRHXBSB-INIZCTEOSA-N 1 0 302.443 3.212 10 0 DGAERO CC(C)[C@](C)(O)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000184913199 432444717 /nfs/dbraw/zinc/44/47/17/432444717.db2.gz PAINTIVRXJGDOQ-GOSISDBHSA-N 1 0 302.418 3.414 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193085011 432446877 /nfs/dbraw/zinc/44/68/77/432446877.db2.gz XZPHLWWYRGLKQR-CYBMUJFWSA-N 1 0 307.463 3.469 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000184948585 432447107 /nfs/dbraw/zinc/44/71/07/432447107.db2.gz UXIQAKLGQIPLMM-UHFFFAOYSA-N 1 0 312.413 3.442 10 0 DGAERO CN(Cc1ccc(C(F)(F)F)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261772176 432449587 /nfs/dbraw/zinc/44/95/87/432449587.db2.gz DTJWWUAMCCIVOQ-ZACCUICWSA-N 1 0 304.381 3.482 10 0 DGAERO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184969933 432450509 /nfs/dbraw/zinc/45/05/09/432450509.db2.gz QRTOTNXECWJARI-GFCCVEGCSA-N 1 0 314.364 3.407 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]3c3ccccc3)on2)cn1 ZINC000184970580 432450751 /nfs/dbraw/zinc/45/07/51/432450751.db2.gz HMZYQXJFWTWQFH-SFHVURJKSA-N 1 0 308.385 3.412 10 0 DGAERO C[C@@H](CC(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000261803392 432451460 /nfs/dbraw/zinc/45/14/60/432451460.db2.gz VZPBOCISJNSPBG-KRWDZBQOSA-N 1 0 310.441 3.210 10 0 DGAERO CSc1cccc(C)c1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000184966542 432451582 /nfs/dbraw/zinc/45/15/82/432451582.db2.gz BXDGBSNCYXBPCP-ZDUSSCGKSA-N 1 0 305.447 3.029 10 0 DGAERO C[C@H](c1ccccc1F)N(C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184984119 432452223 /nfs/dbraw/zinc/45/22/23/432452223.db2.gz MEHFUIXZBGUIBK-GFCCVEGCSA-N 1 0 314.364 3.407 10 0 DGAERO CC1(C)C[N@H+](CCO[C@@H]2CCCCO2)CC[C@H]1C(F)(F)F ZINC000193130348 432453023 /nfs/dbraw/zinc/45/30/23/432453023.db2.gz HMXUBTOBZONHKL-CHWSQXEVSA-N 1 0 309.372 3.440 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)CCSC)c1ccsc1 ZINC000193215647 432456881 /nfs/dbraw/zinc/45/68/81/432456881.db2.gz WTWNYRBMSRAUGL-ZDUSSCGKSA-N 1 0 300.493 3.000 10 0 DGAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)CC(C)C ZINC000185022278 432457655 /nfs/dbraw/zinc/45/76/55/432457655.db2.gz JUYJTJOWCDBZBN-INIZCTEOSA-N 1 0 317.477 3.368 10 0 DGAERO C[C@@H]([NH2+]CCC1=CCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000184575259 432408132 /nfs/dbraw/zinc/40/81/32/432408132.db2.gz NVCWUGFGRBKDTJ-CQSZACIVSA-N 1 0 322.474 3.265 10 0 DGAERO CN(C)c1noc(C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)n1 ZINC000192747369 432408968 /nfs/dbraw/zinc/40/89/68/432408968.db2.gz GZMRSIURNGVSGJ-INIZCTEOSA-N 1 0 314.433 3.123 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C/C=C\c1ccc(F)cc1 ZINC000255558881 432410850 /nfs/dbraw/zinc/41/08/50/432410850.db2.gz XQDYEVKCULVNPP-ZDTYVGOBSA-N 1 0 304.409 3.220 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](CCC(Cl)(Cl)Cl)CC2 ZINC000184624127 432412749 /nfs/dbraw/zinc/41/27/49/432412749.db2.gz HKAUYXKIPPEXGU-QWRGUYRKSA-N 1 0 300.657 3.374 10 0 DGAERO CCSc1ccc([C@@H](C)NCc2nc(N(C)C)no2)cc1 ZINC000192782092 432413150 /nfs/dbraw/zinc/41/31/50/432413150.db2.gz WKYMGULPPLMKHQ-LLVKDONJSA-N 1 0 306.435 3.098 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000175241022 432415713 /nfs/dbraw/zinc/41/57/13/432415713.db2.gz ADSQXPHQDLNSMR-CCNLRDMRSA-N 1 0 315.461 3.371 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)c(F)c1 ZINC000192811894 432416285 /nfs/dbraw/zinc/41/62/85/432416285.db2.gz BEUAMPWCAXXYDR-GXTWGEPZSA-N 1 0 318.371 3.074 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1cc2ccccc2o1 ZINC000175274541 432419477 /nfs/dbraw/zinc/41/94/77/432419477.db2.gz IOMAHJMGPYKJFM-AWEZNQCLSA-N 1 0 317.433 3.305 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000192840426 432420287 /nfs/dbraw/zinc/42/02/87/432420287.db2.gz CAQMHEYNBAIUJI-INIZCTEOSA-N 1 0 318.486 3.460 10 0 DGAERO COc1ccc(C)cc1[C@H](C)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000192842237 432420861 /nfs/dbraw/zinc/42/08/61/432420861.db2.gz APCZWUUSNIZFMK-HNNXBMFYSA-N 1 0 318.461 3.301 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)ccc1F ZINC000153586369 432422805 /nfs/dbraw/zinc/42/28/05/432422805.db2.gz WLALBZIUCJBWPL-OLZOCXBDSA-N 1 0 305.397 3.326 10 0 DGAERO CC[C@@H](CC(=O)N1CCNC[C@H]1c1ccccc1OC)C(C)C ZINC000262044821 432472347 /nfs/dbraw/zinc/47/23/47/432472347.db2.gz UITUNUMDJMNPTI-RDJZCZTQSA-N 1 0 318.461 3.240 10 0 DGAERO c1csc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000262072972 432472624 /nfs/dbraw/zinc/47/26/24/432472624.db2.gz CRVSOGOTWQDERG-CQSZACIVSA-N 1 0 319.499 3.349 10 0 DGAERO Cc1cc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)on1 ZINC000262127940 432474736 /nfs/dbraw/zinc/47/47/36/432474736.db2.gz NHYWETKXDUYCAB-MRXNPFEDSA-N 1 0 317.458 3.189 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc4ccccc43)CC[C@@H]21 ZINC000154132930 432474868 /nfs/dbraw/zinc/47/48/68/432474868.db2.gz KDTCWYSLLLURPN-LPHOPBHVSA-N 1 0 308.425 3.396 10 0 DGAERO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1cccc(Br)c1 ZINC000193477561 432475260 /nfs/dbraw/zinc/47/52/60/432475260.db2.gz FERAWBKSGKCPST-SNVBAGLBSA-N 1 0 306.207 3.277 10 0 DGAERO C[C@@H](CCSc1ccccc1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185195083 432475938 /nfs/dbraw/zinc/47/59/38/432475938.db2.gz WHNGMKMOTXCKNW-DOTOQJQBSA-N 1 0 307.459 3.049 10 0 DGAERO CC(C)O[C@@H]1C[C@@H]([NH2+]CCCc2nc(C(C)C)no2)C1(C)C ZINC000185214606 432478205 /nfs/dbraw/zinc/47/82/05/432478205.db2.gz IPHZUBCXSHGLNQ-ZIAGYGMSSA-N 1 0 309.454 3.307 10 0 DGAERO CC[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000262245646 432478432 /nfs/dbraw/zinc/47/84/32/432478432.db2.gz RCLJTTOVIXCBFI-BGTYHANMSA-N 1 0 300.446 3.217 10 0 DGAERO Cc1nc(-c2ccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)cs1 ZINC000262327801 432480845 /nfs/dbraw/zinc/48/08/45/432480845.db2.gz DSIRIYXRUKRRMH-FZMZJTMJSA-N 1 0 315.442 3.445 10 0 DGAERO CCC1(CC)C[N@H+](CCCc2cccc(F)c2)CC[S@]1=O ZINC000185232821 432481472 /nfs/dbraw/zinc/48/14/72/432481472.db2.gz MQWAVGMSKKDGHS-OAQYLSRUSA-N 1 0 311.466 3.381 10 0 DGAERO Cc1nccn1C[C@H](C)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000175991305 432484121 /nfs/dbraw/zinc/48/41/21/432484121.db2.gz LBCXYPZLBWJWNQ-CQSZACIVSA-N 1 0 309.417 3.008 10 0 DGAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@H](C)c2cccc(Cl)c2)C1(C)C ZINC000262395795 432484827 /nfs/dbraw/zinc/48/48/27/432484827.db2.gz BVXLBNBIVORQLQ-HYSWKAIVSA-N 1 0 324.852 3.050 10 0 DGAERO CCC(CC)c1cc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)on1 ZINC000262488571 432488252 /nfs/dbraw/zinc/48/82/52/432488252.db2.gz WBXCLIIFUJCVRI-UNEWFSDZSA-N 1 0 319.449 3.115 10 0 DGAERO CCCOc1cc(C)ccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000193644619 432488511 /nfs/dbraw/zinc/48/85/11/432488511.db2.gz QDNXZHMNSFMJQW-UHFFFAOYSA-N 1 0 319.449 3.342 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000262551104 432490645 /nfs/dbraw/zinc/49/06/45/432490645.db2.gz SKCRZXJKDKAFNS-JDSLSITLSA-N 1 0 322.836 3.119 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000185341509 432492117 /nfs/dbraw/zinc/49/21/17/432492117.db2.gz SCKNXCPXKYNKGU-HNNXBMFYSA-N 1 0 324.490 3.299 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000185338687 432492682 /nfs/dbraw/zinc/49/26/82/432492682.db2.gz DELNPCPVBSEDCJ-LBPRGKRZSA-N 1 0 323.824 3.229 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000262601340 432493314 /nfs/dbraw/zinc/49/33/14/432493314.db2.gz CRSYBWRZMJUUQH-QWHCGFSZSA-N 1 0 302.393 3.112 10 0 DGAERO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C1CCCCC1 ZINC000262608656 432494413 /nfs/dbraw/zinc/49/44/13/432494413.db2.gz VMOLAXHREBWART-UXLLHSPISA-N 1 0 322.399 3.092 10 0 DGAERO CC(C)COc1ccccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000193754319 432496483 /nfs/dbraw/zinc/49/64/83/432496483.db2.gz UAKCPNIWFHLKOA-UHFFFAOYSA-N 1 0 319.449 3.279 10 0 DGAERO CCc1oc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1C ZINC000154395479 432496736 /nfs/dbraw/zinc/49/67/36/432496736.db2.gz HBUCKQMBGCXVCN-HNNXBMFYSA-N 1 0 312.413 3.284 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000262723490 432499518 /nfs/dbraw/zinc/49/95/18/432499518.db2.gz GLBWRVIDUVRXST-WFASDCNBSA-N 1 0 308.853 3.023 10 0 DGAERO O=C(NCCCC1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193835242 432502917 /nfs/dbraw/zinc/50/29/17/432502917.db2.gz AWTLBYLYFNGWHO-UHFFFAOYSA-N 1 0 321.509 3.474 10 0 DGAERO C[C@@H](CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccccc1 ZINC000193868206 432506184 /nfs/dbraw/zinc/50/61/84/432506184.db2.gz SARFYUOKYXLLFV-AZUAARDMSA-N 1 0 316.489 3.367 10 0 DGAERO CCc1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)ccc1C ZINC000261905768 432460381 /nfs/dbraw/zinc/46/03/81/432460381.db2.gz PMEQSJONLYWFIA-FRQCXROJSA-N 1 0 316.445 3.028 10 0 DGAERO O=C(C[NH2+][C@H]1CCc2ccccc21)N1CCCc2ccccc21 ZINC000193252363 432461515 /nfs/dbraw/zinc/46/15/15/432461515.db2.gz BZVJKPFGPXKNGP-SFHVURJKSA-N 1 0 306.409 3.243 10 0 DGAERO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)Cc1cccs1 ZINC000175765477 432463241 /nfs/dbraw/zinc/46/32/41/432463241.db2.gz SMQWOBUZMSHBAJ-SOUVJXGZSA-N 1 0 323.506 3.051 10 0 DGAERO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)Cc1cccs1 ZINC000175765461 432463992 /nfs/dbraw/zinc/46/39/92/432463992.db2.gz SMQWOBUZMSHBAJ-RRFJBIMHSA-N 1 0 323.506 3.051 10 0 DGAERO COc1ccc([C@@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000175824863 432467695 /nfs/dbraw/zinc/46/76/95/432467695.db2.gz KTCYXXSTZUOXFQ-DOTOQJQBSA-N 1 0 320.477 3.281 10 0 DGAERO COc1ccc([C@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000175824822 432467893 /nfs/dbraw/zinc/46/78/93/432467893.db2.gz KTCYXXSTZUOXFQ-NVXWUHKLSA-N 1 0 320.477 3.281 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1cnc(C2CCC2)s1 ZINC000262017902 432469478 /nfs/dbraw/zinc/46/94/78/432469478.db2.gz MYMIXENXLSOLIX-UHFFFAOYSA-N 1 0 315.486 3.414 10 0 DGAERO Cc1cc(Br)cc2c1CN(C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000262029450 432469750 /nfs/dbraw/zinc/46/97/50/432469750.db2.gz NXTSOGYFIWXNTD-INIZCTEOSA-N 1 0 323.278 3.115 10 0 DGAERO Cc1ccc(C)c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000155304057 432548968 /nfs/dbraw/zinc/54/89/68/432548968.db2.gz SIAJYYMJYIEFRS-GOSISDBHSA-N 1 0 310.441 3.206 10 0 DGAERO CCc1ccccc1NC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000176799304 432554048 /nfs/dbraw/zinc/55/40/48/432554048.db2.gz GXOXZRSALXVECI-MRXNPFEDSA-N 1 0 312.417 3.450 10 0 DGAERO Cc1cccc2ncnc(NCc3cccnc3-n3ccnc3)c12 ZINC000176803433 432554337 /nfs/dbraw/zinc/55/43/37/432554337.db2.gz JXZZLIWDDHYIIC-UHFFFAOYSA-N 1 0 316.368 3.131 10 0 DGAERO CCC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000155489818 432558186 /nfs/dbraw/zinc/55/81/86/432558186.db2.gz SHWCJOYOSQDIQH-SZMVWBNQSA-N 1 0 302.462 3.415 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C/C=C/c2ccc(F)cc2)CC[N@@H+]1C ZINC000176430554 432520804 /nfs/dbraw/zinc/52/08/04/432520804.db2.gz CQMKHAOTTXZTLS-XUOJHOASSA-N 1 0 304.409 3.170 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(C(F)(F)F)cs1 ZINC000154818717 432523064 /nfs/dbraw/zinc/52/30/64/432523064.db2.gz WUPVKYBWVICZCM-JTQLQIEISA-N 1 0 307.385 3.078 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc(C)on2)cc1 ZINC000194076379 432523268 /nfs/dbraw/zinc/52/32/68/432523268.db2.gz HMYFLIRSZICFTH-CYBMUJFWSA-N 1 0 301.390 3.225 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000176479359 432526559 /nfs/dbraw/zinc/52/65/59/432526559.db2.gz SZFZUXHPYPRZBF-CJNGLKHVSA-N 1 0 314.433 3.029 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1)CC2 ZINC000154940111 432529715 /nfs/dbraw/zinc/52/97/15/432529715.db2.gz PJSKIMPDTZYZIC-LSDHHAIUSA-N 1 0 302.397 3.035 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCC[C@@H](C)[C@@H]2C[NH3+])s1 ZINC000262119081 281851977 /nfs/dbraw/zinc/85/19/77/281851977.db2.gz LTBWCPALOJVNDC-SCZZXKLOSA-N 1 0 307.385 3.030 10 0 DGAERO C[NH+]1CCC(CCNC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194234561 432534484 /nfs/dbraw/zinc/53/44/84/432534484.db2.gz QLTIHAXWJBNFFT-UHFFFAOYSA-N 1 0 300.406 3.021 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)cnc2n1 ZINC000155091688 432538236 /nfs/dbraw/zinc/53/82/36/432538236.db2.gz CEIGIMLORCHSBA-GOSISDBHSA-N 1 0 320.440 3.411 10 0 DGAERO CC(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)=C1CCCC1 ZINC000176645110 432539429 /nfs/dbraw/zinc/53/94/29/432539429.db2.gz JSMCSALTXYALDN-UHFFFAOYSA-N 1 0 304.409 3.394 10 0 DGAERO CCc1onc(C)c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000185866328 432539498 /nfs/dbraw/zinc/53/94/98/432539498.db2.gz QGMLMLXJCBPVNU-CQSZACIVSA-N 1 0 321.465 3.176 10 0 DGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000155176873 432542050 /nfs/dbraw/zinc/54/20/50/432542050.db2.gz UFBVBVJUPDHVLS-UWVGGRQHSA-N 1 0 301.217 3.158 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000185893881 432543241 /nfs/dbraw/zinc/54/32/41/432543241.db2.gz HALNOIUDQDHZER-ROUUACIJSA-N 1 0 315.461 3.059 10 0 DGAERO C[C@H](CC[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000194384321 432547020 /nfs/dbraw/zinc/54/70/20/432547020.db2.gz MDFOFVCYEFXPKY-XLIONFOSSA-N 1 0 324.468 3.469 10 0 DGAERO CCc1nnc(C[N@H+](CCc2ccccc2)C2CCCC2)n1C ZINC000195119565 432605496 /nfs/dbraw/zinc/60/54/96/432605496.db2.gz SXJAYGACROLVQF-UHFFFAOYSA-N 1 0 312.461 3.365 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1)N1CCOCC1 ZINC000156746331 432606811 /nfs/dbraw/zinc/60/68/11/432606811.db2.gz ZITXQZZAPDQWME-HZPDHXFCSA-N 1 0 320.477 3.235 10 0 DGAERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)C1CCCCC1 ZINC000177320105 432610218 /nfs/dbraw/zinc/61/02/18/432610218.db2.gz UARRAOCWAWQALZ-QAPCUYQASA-N 1 0 302.462 3.244 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc3ccccc32)C1 ZINC000195168018 432610444 /nfs/dbraw/zinc/61/04/44/432610444.db2.gz QNEDOJSXZJPCQA-QGZVFWFLSA-N 1 0 311.429 3.123 10 0 DGAERO CC(C)(C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccccc1F ZINC000155679409 432567196 /nfs/dbraw/zinc/56/71/96/432567196.db2.gz CQEDCFHJNVSRFT-INIZCTEOSA-N 1 0 306.425 3.127 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCCc2ccccc2)C12CCOCC2 ZINC000186199440 432568493 /nfs/dbraw/zinc/56/84/93/432568493.db2.gz XMWVGXWLMCOVBP-QZTJIDSGSA-N 1 0 303.446 3.183 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155715938 432568668 /nfs/dbraw/zinc/56/86/68/432568668.db2.gz UNDKKJJYOXGXBW-WMZOPIPTSA-N 1 0 302.462 3.163 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000186211791 432569894 /nfs/dbraw/zinc/56/98/94/432569894.db2.gz DAOXNNXVGAMZJJ-LLVKDONJSA-N 1 0 324.471 3.289 10 0 DGAERO Cc1ccc(CCCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000155765544 432572469 /nfs/dbraw/zinc/57/24/69/432572469.db2.gz GRULIYIHSMUAJU-RBUKOAKNSA-N 1 0 314.473 3.260 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000176984729 432572914 /nfs/dbraw/zinc/57/29/14/432572914.db2.gz PAIUHCUVFHPKQE-WCWCZOKXSA-N 1 0 304.478 3.146 10 0 DGAERO CCSc1cccc(CN2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000186239291 432573426 /nfs/dbraw/zinc/57/34/26/432573426.db2.gz UZKMIMNBBRGOQP-CYBMUJFWSA-N 1 0 305.365 3.298 10 0 DGAERO CCc1ccc(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000177012761 432575879 /nfs/dbraw/zinc/57/58/79/432575879.db2.gz JLLJUVYJPCCJII-CRAIPNDOSA-N 1 0 316.489 3.468 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cc1OC ZINC000155826828 432576230 /nfs/dbraw/zinc/57/62/30/432576230.db2.gz NPSDEAXQIMEQCT-YQQAZPJKSA-N 1 0 320.477 3.392 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc2ccccc2c1 ZINC000177017899 432576424 /nfs/dbraw/zinc/57/64/24/432576424.db2.gz ZGTLTDQXOXVVAC-IBGZPJMESA-N 1 0 310.441 3.325 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C12CCOCC2 ZINC000186267848 432576815 /nfs/dbraw/zinc/57/68/15/432576815.db2.gz NPPIONUWAXYCCO-ZWKOTPCHSA-N 1 0 315.413 3.497 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C12CCOCC2 ZINC000186296595 432579757 /nfs/dbraw/zinc/57/97/57/432579757.db2.gz WOVLVHVANUUYHO-CVEARBPZSA-N 1 0 311.372 3.029 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2cccc(C)c2)C12CCOCC2 ZINC000186302331 432579809 /nfs/dbraw/zinc/57/98/09/432579809.db2.gz GCQNZKQXGWCWEW-ZWKOTPCHSA-N 1 0 303.446 3.101 10 0 DGAERO CN(CCc1ccc(F)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000155920359 432580691 /nfs/dbraw/zinc/58/06/91/432580691.db2.gz YCDJIUQISMJQPP-UHFFFAOYSA-N 1 0 314.404 3.202 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000177098666 432586294 /nfs/dbraw/zinc/58/62/94/432586294.db2.gz XNTNBNUVKUKWLI-JSGCOSHPSA-N 1 0 307.825 3.349 10 0 DGAERO C[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)CC1CCOCC1 ZINC000156168976 432588573 /nfs/dbraw/zinc/58/85/73/432588573.db2.gz SNRRYXCMXFHLPL-UHFFFAOYSA-N 1 0 304.365 3.339 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000156280613 432592044 /nfs/dbraw/zinc/59/20/44/432592044.db2.gz KAMHBVOIGRJKMM-CHWSQXEVSA-N 1 0 311.495 3.017 10 0 DGAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C3CC3)CC2)cc1 ZINC000177193078 432595878 /nfs/dbraw/zinc/59/58/78/432595878.db2.gz NLHAIAIJGOSDIJ-AWEZNQCLSA-N 1 0 316.445 3.078 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)ccc1O ZINC000177262292 432604379 /nfs/dbraw/zinc/60/43/79/432604379.db2.gz BNMWOCMMTOBDES-AWEZNQCLSA-N 1 0 323.396 3.437 10 0 DGAERO c1ccc2nc(NCC3([NH+]4CCCC4)CCOCC3)ccc2c1 ZINC000264205270 432625817 /nfs/dbraw/zinc/62/58/17/432625817.db2.gz FCFMJSUEEHALDD-UHFFFAOYSA-N 1 0 311.429 3.292 10 0 DGAERO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186769308 432628197 /nfs/dbraw/zinc/62/81/97/432628197.db2.gz AKFVCWSQTYVFPD-GJZGRUSLSA-N 1 0 318.461 3.231 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000177544089 432634954 /nfs/dbraw/zinc/63/49/54/432634954.db2.gz RYYPKMOKJYEVEC-HZPDHXFCSA-N 1 0 312.417 3.258 10 0 DGAERO Cc1ccccc1SCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177551456 432636218 /nfs/dbraw/zinc/63/62/18/432636218.db2.gz DJNFKJUGVUVVRB-HUUCEWRRSA-N 1 0 306.475 3.076 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](C)N1CCOCC1)CCS2 ZINC000186966485 432640354 /nfs/dbraw/zinc/64/03/54/432640354.db2.gz QEGLOVINHHYLLO-RDJZCZTQSA-N 1 0 320.502 3.151 10 0 DGAERO C[C@H](O)[C@H]1CCCCN1Cc1csc(Br)c1 ZINC000264385747 432641354 /nfs/dbraw/zinc/64/13/54/432641354.db2.gz DVCLUCHQKOSUKF-GXSJLCMTSA-N 1 0 304.253 3.246 10 0 DGAERO CSCc1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1F ZINC000177609896 432642227 /nfs/dbraw/zinc/64/22/27/432642227.db2.gz GUTZXLXINQRAQX-GJZGRUSLSA-N 1 0 324.465 3.291 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccccc2OCc2ccccc2)C1 ZINC000215204783 432643701 /nfs/dbraw/zinc/64/37/01/432643701.db2.gz NGOJQPWLTFPHFY-HZPDHXFCSA-N 1 0 310.397 3.332 10 0 DGAERO CCc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1F ZINC000159077610 432669297 /nfs/dbraw/zinc/66/92/97/432669297.db2.gz CUKFDTJGTMGMFK-OAHLLOKOSA-N 1 0 305.397 3.090 10 0 DGAERO [NH3+]CC1(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000216437135 432650244 /nfs/dbraw/zinc/65/02/44/432650244.db2.gz GLYVPMFWCBSHPO-NEPJUHHUSA-N 1 0 306.372 3.133 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177699295 432652621 /nfs/dbraw/zinc/65/26/21/432652621.db2.gz NPCGXIPQEIQBBY-RHSMWYFYSA-N 1 0 314.408 3.304 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)C2CCSCC2)C1 ZINC000187299124 432656044 /nfs/dbraw/zinc/65/60/44/432656044.db2.gz DRYSEEFCAHTZGZ-GDBMZVCRSA-N 1 0 320.502 3.395 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000187356185 432658684 /nfs/dbraw/zinc/65/86/84/432658684.db2.gz XTEDIFSOQHQEQX-OWCLPIDISA-N 1 0 313.363 3.496 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC)c(F)c2)C1 ZINC000158829776 432658767 /nfs/dbraw/zinc/65/87/67/432658767.db2.gz XLLCMADRWDXVAU-ZDUSSCGKSA-N 1 0 307.413 3.242 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)C1 ZINC000187448606 432664270 /nfs/dbraw/zinc/66/42/70/432664270.db2.gz KFXUPMQZQHIKLC-INIZCTEOSA-N 1 0 322.880 3.461 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000159119178 432669914 /nfs/dbraw/zinc/66/99/14/432669914.db2.gz DGAGCUFWEHXEFE-RHSMWYFYSA-N 1 0 319.424 3.336 10 0 DGAERO CCCC[N@H+](CCO)Cc1ccc(-c2ccncc2)cc1F ZINC000159085314 432667876 /nfs/dbraw/zinc/66/78/76/432667876.db2.gz MYBAQUKVTQHZFR-UHFFFAOYSA-N 1 0 302.393 3.482 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000187907506 432692146 /nfs/dbraw/zinc/69/21/46/432692146.db2.gz FWAWVCVWRUHLDA-FZKQIMNGSA-N 1 0 318.392 3.464 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187923031 432693936 /nfs/dbraw/zinc/69/39/36/432693936.db2.gz WOZNSTARNRFFNE-SJCJKPOMSA-N 1 0 324.852 3.070 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000188005527 432698110 /nfs/dbraw/zinc/69/81/10/432698110.db2.gz LCHOAFPJDVFOOW-UGSOOPFHSA-N 1 0 318.392 3.464 10 0 DGAERO COCCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000178146358 432699088 /nfs/dbraw/zinc/69/90/88/432699088.db2.gz FUHAGRIQGJPGDP-MJGOQNOKSA-N 1 0 304.478 3.446 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000188009333 432699236 /nfs/dbraw/zinc/69/92/36/432699236.db2.gz NIOUUFPHIBVOMV-DJJJIMSYSA-N 1 0 314.429 3.142 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1cc(Br)ccc1F ZINC000227344646 432711093 /nfs/dbraw/zinc/71/10/93/432711093.db2.gz HCEGPHKVMVDTFO-UHFFFAOYSA-N 1 0 304.203 3.227 10 0 DGAERO COCCCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658577 432713215 /nfs/dbraw/zinc/71/32/15/432713215.db2.gz IHYYCFRUVFPMAS-OAHLLOKOSA-N 1 0 314.470 3.040 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)Cc1ccc(O)cc1)NC(=O)OC(C)(C)C ZINC000227669330 432713584 /nfs/dbraw/zinc/71/35/84/432713584.db2.gz OUJYDFVLCJCBQE-KGLIPLIRSA-N 1 0 322.449 3.216 10 0 DGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227839244 432715009 /nfs/dbraw/zinc/71/50/09/432715009.db2.gz BZFADRPWWJXHEH-XVKPBYJWSA-N 1 0 324.671 3.415 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1CCOCC1 ZINC000188293718 432715699 /nfs/dbraw/zinc/71/56/99/432715699.db2.gz REBCHGXZAJGTPO-MSOLQXFVSA-N 1 0 307.409 3.234 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOc1cc(C)ccc1C ZINC000178292435 432716480 /nfs/dbraw/zinc/71/64/80/432716480.db2.gz DKSXGDWYQNYUQH-SFHVURJKSA-N 1 0 313.445 3.352 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000178302844 432718027 /nfs/dbraw/zinc/71/80/27/432718027.db2.gz YHMBHGQZQJYXQI-IRXDYDNUSA-N 1 0 319.836 3.043 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)CC[C@H]1C ZINC000188306360 432718108 /nfs/dbraw/zinc/71/81/08/432718108.db2.gz ZNGUVNJPBRMAQR-AUUYWEPGSA-N 1 0 313.445 3.346 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000178332446 432722961 /nfs/dbraw/zinc/72/29/61/432722961.db2.gz LILGMPWBKBHMNV-MRXNPFEDSA-N 1 0 319.836 3.388 10 0 DGAERO CCC1(CC)C[N@H+](C[C@@H](C)c2ccc(OC)cc2)CC[S@]1=O ZINC000187561910 432670223 /nfs/dbraw/zinc/67/02/23/432670223.db2.gz YHNYMSNJEZDHGT-IVZQSRNASA-N 1 0 323.502 3.422 10 0 DGAERO CCc1ccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1F ZINC000159157496 432671939 /nfs/dbraw/zinc/67/19/39/432671939.db2.gz WRWQZFPSDLTDRJ-UHFFFAOYSA-N 1 0 307.413 3.382 10 0 DGAERO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1nccs1 ZINC000159141487 432673046 /nfs/dbraw/zinc/67/30/46/432673046.db2.gz DQFCLJQPLYMWIE-UONOGXRCSA-N 1 0 324.494 3.014 10 0 DGAERO CCN(CC)C(=O)[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1 ZINC000187648381 432674837 /nfs/dbraw/zinc/67/48/37/432674837.db2.gz WKFHQWKCMWWGMW-IAGOWNOFSA-N 1 0 318.461 3.143 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000159237425 432676222 /nfs/dbraw/zinc/67/62/22/432676222.db2.gz CQIBYWXFZQNQHJ-MAUKXSAKSA-N 1 0 309.413 3.471 10 0 DGAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187721533 432680394 /nfs/dbraw/zinc/68/03/94/432680394.db2.gz ROGFDVIWXYHMQN-CYBMUJFWSA-N 1 0 300.402 3.225 10 0 DGAERO C[C@H](C[NH2+]CCNC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000187740044 432681073 /nfs/dbraw/zinc/68/10/73/432681073.db2.gz NHWSUGYAAHGGJI-CQSZACIVSA-N 1 0 316.832 3.463 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000187794272 432685115 /nfs/dbraw/zinc/68/51/15/432685115.db2.gz CRMVKNSWDAUKGB-CYBMUJFWSA-N 1 0 304.365 3.385 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)cc1 ZINC000178055745 432689085 /nfs/dbraw/zinc/68/90/85/432689085.db2.gz ADKRIVCXIJSOPL-LBPRGKRZSA-N 1 0 313.792 3.167 10 0 DGAERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1C ZINC000178057817 432689185 /nfs/dbraw/zinc/68/91/85/432689185.db2.gz PAJCDVTXZDWMNZ-MRXNPFEDSA-N 1 0 321.428 3.438 10 0 DGAERO C[C@H]1CC[C@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc21 ZINC000178054861 432689206 /nfs/dbraw/zinc/68/92/06/432689206.db2.gz LTIJLUJZZULRIG-KSSFIOAISA-N 1 0 319.412 3.391 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c(C)c1 ZINC000178054710 432689238 /nfs/dbraw/zinc/68/92/38/432689238.db2.gz JCZOZVMGJZKILH-OAHLLOKOSA-N 1 0 307.401 3.130 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000188798262 432747096 /nfs/dbraw/zinc/74/70/96/432747096.db2.gz PANKLGLJHWGFPZ-QWHCGFSZSA-N 1 0 313.401 3.460 10 0 DGAERO CC(C)(C)c1ccc(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000236585192 432749814 /nfs/dbraw/zinc/74/98/14/432749814.db2.gz HJLRHVOQHPBGQS-WBVHZDCISA-N 1 0 302.462 3.160 10 0 DGAERO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000188942284 432754082 /nfs/dbraw/zinc/75/40/82/432754082.db2.gz KUIBTFGFJBJBSP-IBGZPJMESA-N 1 0 321.424 3.078 10 0 DGAERO c1coc([C@H](C[NH2+]Cc2ccc3c[nH]nc3c2)N2CCCCC2)c1 ZINC000236663938 432754639 /nfs/dbraw/zinc/75/46/39/432754639.db2.gz LFWAXIBLHTZNKM-SFHVURJKSA-N 1 0 324.428 3.473 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)C[C@H]1CCCc2ccccc21 ZINC000178600141 432756689 /nfs/dbraw/zinc/75/66/89/432756689.db2.gz WXVDOKKIHARBOF-QGZVFWFLSA-N 1 0 302.462 3.295 10 0 DGAERO Clc1cc2cccnc2c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178623493 432759889 /nfs/dbraw/zinc/75/98/89/432759889.db2.gz NSZMCHRBGRUCRP-MRXNPFEDSA-N 1 0 301.821 3.168 10 0 DGAERO C[C@H](CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000178641369 432761709 /nfs/dbraw/zinc/76/17/09/432761709.db2.gz OQWNDEAJZVSEBH-SJLPKXTDSA-N 1 0 300.446 3.267 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@@H+](CCCSCC(C)C)C2)no1 ZINC000178658731 432763199 /nfs/dbraw/zinc/76/31/99/432763199.db2.gz QIZSUDWGPCGLFC-HNNXBMFYSA-N 1 0 311.495 3.412 10 0 DGAERO Fc1ccc2oc(C[NH+]3CCC([C@@H]4CCCO4)CC3)nc2c1 ZINC000189144819 432766921 /nfs/dbraw/zinc/76/69/21/432766921.db2.gz JUUFOZIAHDDCMC-HNNXBMFYSA-N 1 0 304.365 3.358 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cccc(OC(F)F)c1)CC2 ZINC000178690703 432767404 /nfs/dbraw/zinc/76/74/04/432767404.db2.gz INAJKMNPXICMBD-PBHICJAKSA-N 1 0 311.372 3.415 10 0 DGAERO COc1ccc(F)cc1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000189204081 432769738 /nfs/dbraw/zinc/76/97/38/432769738.db2.gz AODHQMBXXIQTRS-UHFFFAOYSA-N 1 0 315.348 3.416 10 0 DGAERO Cc1ccc2cc(C[NH2+]Cc3ccc(CO)c(F)c3)ccc2n1 ZINC000189278715 432776411 /nfs/dbraw/zinc/77/64/11/432776411.db2.gz ZNQVFXWLEKIUFI-UHFFFAOYSA-N 1 0 310.372 3.464 10 0 DGAERO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CC(C)(C)c4ccccc43)C2)cn1 ZINC000178826576 432780635 /nfs/dbraw/zinc/78/06/35/432780635.db2.gz KIVTTXVVKXRHEK-KXBFYZLASA-N 1 0 324.472 3.401 10 0 DGAERO C[N@@H+](Cc1ncc(-c2ccccc2Cl)o1)C[C@@H]1CCOC1 ZINC000178370454 432727853 /nfs/dbraw/zinc/72/78/53/432727853.db2.gz LTJXJKBVKJNUAX-LBPRGKRZSA-N 1 0 306.793 3.463 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000231042121 432731502 /nfs/dbraw/zinc/73/15/02/432731502.db2.gz NLDMXTAJEREWIR-RISCZKNCSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1ccc(C[N@H+](C)CCOCC(F)(F)C(F)(F)F)o1 ZINC000188663121 432737144 /nfs/dbraw/zinc/73/71/44/432737144.db2.gz IIYOAEWHXYSNMM-UHFFFAOYSA-N 1 0 301.255 3.234 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000178445831 432738709 /nfs/dbraw/zinc/73/87/09/432738709.db2.gz CUXDHWRPXNRQAR-SUMWQHHRSA-N 1 0 313.397 3.014 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000275681012 432740859 /nfs/dbraw/zinc/74/08/59/432740859.db2.gz WGNCESWMGYPPKA-RQNZRIQJSA-N 1 0 311.429 3.333 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCc2cscn2)cc1NC(C)=O ZINC000178471510 432741361 /nfs/dbraw/zinc/74/13/61/432741361.db2.gz PFGAPDNPKFPANX-LLVKDONJSA-N 1 0 319.430 3.003 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000188779894 432745934 /nfs/dbraw/zinc/74/59/34/432745934.db2.gz FXGOWPKNLBYMGX-KBPBESRZSA-N 1 0 323.400 3.083 10 0 DGAERO CC(C)C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccn1 ZINC000162507865 432825710 /nfs/dbraw/zinc/82/57/10/432825710.db2.gz OMLVEQPHHBTZAN-GOSISDBHSA-N 1 0 311.429 3.188 10 0 DGAERO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000162526617 432825842 /nfs/dbraw/zinc/82/58/42/432825842.db2.gz UHSGHURIBJOFPA-LLVKDONJSA-N 1 0 322.330 3.185 10 0 DGAERO C[C@H]([NH2+]CC1(O)CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000162588165 432829042 /nfs/dbraw/zinc/82/90/42/432829042.db2.gz IIDLEYBRQYPJPR-VIFPVBQESA-N 1 0 322.207 3.325 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000245430459 432830051 /nfs/dbraw/zinc/83/00/51/432830051.db2.gz LVSDVCKTGKURSM-ZACQAIPSSA-N 1 0 320.864 3.386 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C)c1C ZINC000245432950 432830184 /nfs/dbraw/zinc/83/01/84/432830184.db2.gz PBLYVXNXOCPIJL-CVEARBPZSA-N 1 0 301.434 3.394 10 0 DGAERO Cc1cccn2c(=O)cc(C[N@H+]3C[C@@H](C)[C@H]3c3ccccc3)nc12 ZINC000245440772 432832515 /nfs/dbraw/zinc/83/25/15/432832515.db2.gz UWQOPBMOSJKVFL-BEFAXECRSA-N 1 0 319.408 3.196 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245458508 432833384 /nfs/dbraw/zinc/83/33/84/432833384.db2.gz CXULNRRTGYQVBF-OVWQWFNUSA-N 1 0 315.461 3.057 10 0 DGAERO CC[C@H]1CN([C@H](C)c2ncc(C(C)(C)C)o2)CC[N@@H+]1CCOC ZINC000245457382 432833412 /nfs/dbraw/zinc/83/34/12/432833412.db2.gz CASCTVLKHUVODU-CABCVRRESA-N 1 0 323.481 3.076 10 0 DGAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[C@@H](C)c1ccccc1 ZINC000245458502 432833454 /nfs/dbraw/zinc/83/34/54/432833454.db2.gz CXULNRRTGYQVBF-CBZIJGRNSA-N 1 0 315.461 3.057 10 0 DGAERO CC(C)COC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000245473378 432835184 /nfs/dbraw/zinc/83/51/84/432835184.db2.gz PXLRKQTUHKDZPN-BMGDILEWSA-N 1 0 309.425 3.242 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000245473172 432836201 /nfs/dbraw/zinc/83/62/01/432836201.db2.gz PRVQZLPRLOWXRC-IAGOWNOFSA-N 1 0 317.477 3.047 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000162900958 432837630 /nfs/dbraw/zinc/83/76/30/432837630.db2.gz HHXRNAVNFOKGPY-IBGZPJMESA-N 1 0 312.461 3.257 10 0 DGAERO CCCC[C@H](C[NH3+])NC(=O)c1sc(C2CCCC2)nc1C ZINC000162926339 432837949 /nfs/dbraw/zinc/83/79/49/432837949.db2.gz GJDPMAYYJRIQPW-CYBMUJFWSA-N 1 0 309.479 3.356 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc2oc(C3CC3)nc2c1)[NH+](C)C ZINC000161522232 432783960 /nfs/dbraw/zinc/78/39/60/432783960.db2.gz WVZSMDKQRDDYDF-CQSZACIVSA-N 1 0 301.390 3.374 10 0 DGAERO C[N@H+](CCOCC(F)(F)C(F)F)Cc1ccc(Cl)nc1 ZINC000189507710 432794564 /nfs/dbraw/zinc/79/45/64/432794564.db2.gz OOEWGWJMISZOCI-UHFFFAOYSA-N 1 0 314.710 3.084 10 0 DGAERO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC000189518960 432794731 /nfs/dbraw/zinc/79/47/31/432794731.db2.gz CWGPCDUTPCIXBL-ZIAGYGMSSA-N 1 0 308.495 3.237 10 0 DGAERO CCCOc1ccc2c(c1)CCN(C(=O)[C@H](CCC)[NH+](C)C)C2 ZINC000161763091 432796634 /nfs/dbraw/zinc/79/66/34/432796634.db2.gz HNUSZLACYDRRTC-SFHVURJKSA-N 1 0 318.461 3.090 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+]C3CC(OC(C)C)C3)C2)c1 ZINC000189536629 432797874 /nfs/dbraw/zinc/79/78/74/432797874.db2.gz CWNIOZDQTKMTDW-LYGPFTKASA-N 1 0 318.461 3.210 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cn2c(cccc2C)n1 ZINC000179038275 432798296 /nfs/dbraw/zinc/79/82/96/432798296.db2.gz DXOOVAKGHONNBY-UHFFFAOYSA-N 1 0 300.431 3.164 10 0 DGAERO Cc1c2ccccc2oc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237800320 432800556 /nfs/dbraw/zinc/80/05/56/432800556.db2.gz KLMPTEDZZXFMDT-KBMXLJTQSA-N 1 0 312.413 3.278 10 0 DGAERO CC[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1nccs1 ZINC000161910364 432803866 /nfs/dbraw/zinc/80/38/66/432803866.db2.gz GYQMXYQLJWYJON-AWEZNQCLSA-N 1 0 323.506 3.469 10 0 DGAERO CCC[C@H](C(=O)N(C)Cc1cc(C)c(OC)c(C)c1)[NH+](C)C ZINC000161915139 432804628 /nfs/dbraw/zinc/80/46/28/432804628.db2.gz OOVSKKIOODJFQT-MRXNPFEDSA-N 1 0 306.450 3.001 10 0 DGAERO CCc1ccc(C(C)(C)CNC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000161956296 432806466 /nfs/dbraw/zinc/80/64/66/432806466.db2.gz DXJHLSZZXDLIEM-UHFFFAOYSA-N 1 0 310.441 3.415 10 0 DGAERO Cc1cccc([C@@H]([NH2+]C2CCN(C(N)=O)CC2)C(C)(C)C)c1 ZINC000162146139 432814432 /nfs/dbraw/zinc/81/44/32/432814432.db2.gz WDFBTTMVYWYMAC-MRXNPFEDSA-N 1 0 303.450 3.215 10 0 DGAERO Clc1ccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)s1 ZINC000189726676 432814932 /nfs/dbraw/zinc/81/49/32/432814932.db2.gz XTDJQLZPHHQHCU-UHFFFAOYSA-N 1 0 322.865 3.324 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000245753618 432860825 /nfs/dbraw/zinc/86/08/25/432860825.db2.gz OLPAPZCCPAGLNH-NHYWBVRUSA-N 1 0 312.816 3.281 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000245752490 432860992 /nfs/dbraw/zinc/86/09/92/432860992.db2.gz OCPAJLJWJKGCRK-AAEUAGOBSA-N 1 0 314.351 3.096 10 0 DGAERO CCC[N@H+](Cc1cncnc1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000245773619 432861923 /nfs/dbraw/zinc/86/19/23/432861923.db2.gz SHULOYGNHDTDTJ-IAGOWNOFSA-N 1 0 303.450 3.426 10 0 DGAERO C[C@@H](CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(F)cc1F ZINC000245776244 432862113 /nfs/dbraw/zinc/86/21/13/432862113.db2.gz ATUUZLICRVSWJO-ZFWWWQNUSA-N 1 0 322.399 3.155 10 0 DGAERO Cc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c(OC(F)F)cc1C ZINC000245783901 432863115 /nfs/dbraw/zinc/86/31/15/432863115.db2.gz UWILMLOUXRKVSA-HNNXBMFYSA-N 1 0 310.388 3.185 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cn(-c3ccccc3)nn2)C1(C)C ZINC000245785643 432863246 /nfs/dbraw/zinc/86/32/46/432863246.db2.gz TUSLRHHQDATIQS-KBRIMQKVSA-N 1 0 314.433 3.122 10 0 DGAERO C[N@@H+]1CC[C@H]2CCN(Cc3cc4ccccc4nc3Cl)[C@H]2C1 ZINC000245895103 432868075 /nfs/dbraw/zinc/86/80/75/432868075.db2.gz CVJLSYOXMDGYOA-GUYCJALGSA-N 1 0 315.848 3.414 10 0 DGAERO Cc1cc(N2CCO[C@](C)(c3cnn(C)c3)C2)c2ccccc2[nH+]1 ZINC000268421608 432871111 /nfs/dbraw/zinc/87/11/11/432871111.db2.gz XIXVDCHCGFKRER-IBGZPJMESA-N 1 0 322.412 3.029 10 0 DGAERO C[C@@H](C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)c1ccc(Cl)s1 ZINC000245940351 432871901 /nfs/dbraw/zinc/87/19/01/432871901.db2.gz SWJUIAXMFAFPBT-OUAUKWLOSA-N 1 0 300.855 3.056 10 0 DGAERO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000245956517 432872575 /nfs/dbraw/zinc/87/25/75/432872575.db2.gz CRTVTAQVHSFUCI-FRFSOERESA-N 1 0 324.490 3.344 10 0 DGAERO COc1ccc(COCC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000245971144 432873074 /nfs/dbraw/zinc/87/30/74/432873074.db2.gz ZSKFOIAPBKIFJL-KZNAEPCWSA-N 1 0 319.445 3.005 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000245968400 432873252 /nfs/dbraw/zinc/87/32/52/432873252.db2.gz ZAKYOWHQADGILW-IDENBPMYSA-N 1 0 322.452 3.494 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000245997804 432874201 /nfs/dbraw/zinc/87/42/01/432874201.db2.gz JKXQEUZSGKVIJZ-KBXCAEBGSA-N 1 0 315.461 3.369 10 0 DGAERO CCOc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246028765 432874432 /nfs/dbraw/zinc/87/44/32/432874432.db2.gz NHVQIPNEMHYRAX-GOEBONIOSA-N 1 0 319.449 3.279 10 0 DGAERO CCN1CC[C@H]([NH2+][C@@H](C)COC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246018018 432874492 /nfs/dbraw/zinc/87/44/92/432874492.db2.gz LDDFIZXFXQIIPG-KNXALSJPSA-N 1 0 314.832 3.239 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)ccc2F)[C@@H](C)C1 ZINC000246011626 432874603 /nfs/dbraw/zinc/87/46/03/432874603.db2.gz LFBDMRXSUCPWMD-LRDDRELGSA-N 1 0 323.412 3.028 10 0 DGAERO C[C@H](OC1CCCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246011789 432874676 /nfs/dbraw/zinc/87/46/76/432874676.db2.gz LIMNYVRNGJZGPR-OWCLPIDISA-N 1 0 310.482 3.055 10 0 DGAERO CC(=O)CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296301912 432894399 /nfs/dbraw/zinc/89/43/99/432894399.db2.gz NPZHZFLIVYYUOQ-UHFFFAOYSA-N 1 0 306.353 3.320 10 0 DGAERO CCCCC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000245545212 432842024 /nfs/dbraw/zinc/84/20/24/432842024.db2.gz LQZNGUHAELWXHX-HKUYNNGSSA-N 1 0 316.445 3.279 10 0 DGAERO Cc1nn(-c2ccccc2)cc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000245538885 432842108 /nfs/dbraw/zinc/84/21/08/432842108.db2.gz KOMKANMBHUOQOC-MOPGFXCFSA-N 1 0 311.429 3.324 10 0 DGAERO C[C@@H](C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21)CS(C)(=O)=O ZINC000163115865 432843176 /nfs/dbraw/zinc/84/31/76/432843176.db2.gz UGEMGWCOIWHENY-KBXCAEBGSA-N 1 0 321.486 3.209 10 0 DGAERO Fc1ccccc1-c1n[nH]cc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245549971 432843738 /nfs/dbraw/zinc/84/37/38/432843738.db2.gz ZWBQRADTKCESRS-IAGOWNOFSA-N 1 0 315.392 3.359 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(Cl)cc1Cl ZINC000245561370 432845220 /nfs/dbraw/zinc/84/52/20/432845220.db2.gz KIMXFQNLQPLQEJ-OLZOCXBDSA-N 1 0 314.260 3.447 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CCCC[C@@H]1C)CC2 ZINC000245583594 432848225 /nfs/dbraw/zinc/84/82/25/432848225.db2.gz AAMAGMJZCXEHGY-YVSFHVDLSA-N 1 0 307.482 3.222 10 0 DGAERO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1n1ccnc1 ZINC000245597787 432849698 /nfs/dbraw/zinc/84/96/98/432849698.db2.gz LVQBNVFFONXJJH-XOKHGSTOSA-N 1 0 319.836 3.153 10 0 DGAERO CCC[C@H](C[N@@H+]1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000245636667 432850977 /nfs/dbraw/zinc/85/09/77/432850977.db2.gz CEOJTWMGLNIKTQ-RTBURBONSA-N 1 0 313.445 3.168 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCC[C@H](C)C1)CC2 ZINC000245651817 432852890 /nfs/dbraw/zinc/85/28/90/432852890.db2.gz BZPVWZPBUXJEFI-HZMVEIRTSA-N 1 0 307.482 3.222 10 0 DGAERO CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245649162 432853017 /nfs/dbraw/zinc/85/30/17/432853017.db2.gz MKOLUVINDGBSHL-DIECFANBSA-N 1 0 303.450 3.166 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000245651829 432853505 /nfs/dbraw/zinc/85/35/05/432853505.db2.gz BZPVWZPBUXJEFI-VQHPVUNQSA-N 1 0 307.482 3.222 10 0 DGAERO CN1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245679599 432856051 /nfs/dbraw/zinc/85/60/51/432856051.db2.gz MFMYVKQHJJVDGS-ULFGMLNVSA-N 1 0 320.383 3.183 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1 ZINC000245689959 432857014 /nfs/dbraw/zinc/85/70/14/432857014.db2.gz VUWOZZNWRQLYFE-XLAORIBOSA-N 1 0 307.409 3.017 10 0 DGAERO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc(Cl)c1OC ZINC000245720190 432858693 /nfs/dbraw/zinc/85/86/93/432858693.db2.gz HTPOBDUNCXWTSS-OCCSQVGLSA-N 1 0 324.852 3.026 10 0 DGAERO CCC[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000155074516 292698215 /nfs/dbraw/zinc/69/82/15/292698215.db2.gz OTWGDIINOSUZRX-ZWKOTPCHSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279838991 432995214 /nfs/dbraw/zinc/99/52/14/432995214.db2.gz ZRVMCSXXAIYBTK-OCCSQVGLSA-N 1 0 310.463 3.483 10 0 DGAERO Brc1cncc(C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000341386301 433045136 /nfs/dbraw/zinc/04/51/36/433045136.db2.gz YSAXGQNHBCUYLR-HNNXBMFYSA-N 1 0 318.218 3.480 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000341275306 433013331 /nfs/dbraw/zinc/01/33/31/433013331.db2.gz RGPQTJJJXDWVHB-UHFFFAOYSA-N 1 0 317.396 3.285 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3)CCCC4)C[C@@H]21 ZINC000333280926 433045770 /nfs/dbraw/zinc/04/57/70/433045770.db2.gz HORRPXLOVJQJMF-RYQLBKOJSA-N 1 0 313.445 3.157 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3csc4ccccc34)C[C@@H]21 ZINC000333106930 433033739 /nfs/dbraw/zinc/03/37/39/433033739.db2.gz DHBHNAGNZFJIDX-FPMFFAJLSA-N 1 0 315.442 3.492 10 0 DGAERO CN(C(=O)Nc1ncc(C(C)(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000333188682 433039739 /nfs/dbraw/zinc/03/97/39/433039739.db2.gz UHYCCWFGGVTAAM-NSHDSACASA-N 1 0 310.467 3.046 10 0 DGAERO Cc1ccc(NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1OC(C)C ZINC000333348652 433049553 /nfs/dbraw/zinc/04/95/53/433049553.db2.gz ZWYOXYIMPKBFIQ-UHFFFAOYSA-N 1 0 317.433 3.142 10 0 DGAERO CC(C)c1scnc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333365770 433051421 /nfs/dbraw/zinc/05/14/21/433051421.db2.gz UGJWFVLQAIOJJI-CHWSQXEVSA-N 1 0 322.478 3.120 10 0 DGAERO CCc1noc(C)c1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000155665337 292712852 /nfs/dbraw/zinc/71/28/52/292712852.db2.gz FXLDKRHWOQSYCR-LBPRGKRZSA-N 1 0 322.434 3.031 10 0 DGAERO c1ccc([C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]2CCOC2)cc1 ZINC000372898486 433057073 /nfs/dbraw/zinc/05/70/73/433057073.db2.gz VISSPGISNXVKOE-MOPGFXCFSA-N 1 0 302.462 3.230 10 0 DGAERO O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333516702 433062837 /nfs/dbraw/zinc/06/28/37/433062837.db2.gz GGFYEOFKAORYBY-BPUTZDHNSA-N 1 0 321.852 3.027 10 0 DGAERO c1cc2c(cc1C[N@H+]1CCC[C@H](C[C@H]3CCOC3)C1)OCCO2 ZINC000373136279 433098861 /nfs/dbraw/zinc/09/88/61/433098861.db2.gz BQZLWEBISLSNHL-NVXWUHKLSA-N 1 0 317.429 3.096 10 0 DGAERO C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCC2)[C@@H](c2ccco2)C1 ZINC000446618466 433075177 /nfs/dbraw/zinc/07/51/77/433075177.db2.gz VUFSNTQLLVWQOC-LSDHHAIUSA-N 1 0 319.449 3.247 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCCC3(CCCC3)C2)CC1 ZINC000446651200 433078690 /nfs/dbraw/zinc/07/86/90/433078690.db2.gz CLQVGKGGOWXEIN-UHFFFAOYSA-N 1 0 305.466 3.004 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000453367934 433124081 /nfs/dbraw/zinc/12/40/81/433124081.db2.gz PBXSCQNVCFWHJF-VYUIOLGVSA-N 1 0 301.217 3.298 10 0 DGAERO c1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@]4(CCSC4)C3)C2)cc1 ZINC000453343168 433107005 /nfs/dbraw/zinc/10/70/05/433107005.db2.gz DNKYHPQHRQJOIO-MOPGFXCFSA-N 1 0 316.514 3.480 10 0 DGAERO COCC1(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)CCC1 ZINC000361328092 433112958 /nfs/dbraw/zinc/11/29/58/433112958.db2.gz GYPNUXUIKVFBDZ-UHFFFAOYSA-N 1 0 304.478 3.303 10 0 DGAERO OC[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccsc1 ZINC000336667871 433173391 /nfs/dbraw/zinc/17/33/91/433173391.db2.gz GBEYXKRNSUJEAR-LLVKDONJSA-N 1 0 318.261 3.395 10 0 DGAERO c1ccc(OCCCC[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000361444706 433174104 /nfs/dbraw/zinc/17/41/04/433174104.db2.gz VEMGRGYUWIFPAR-LJQANCHMSA-N 1 0 319.445 3.116 10 0 DGAERO COc1cc(C[NH2+]CCCCF)cc(Br)c1O ZINC000336686684 433179311 /nfs/dbraw/zinc/17/93/11/433179311.db2.gz GHDXKCOGIPBWFP-UHFFFAOYSA-N 1 0 306.175 3.003 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NCCCc2ccccc2)CC1 ZINC000157647409 292750286 /nfs/dbraw/zinc/75/02/86/292750286.db2.gz QTWNZZYIALJSTB-UHFFFAOYSA-N 1 0 317.477 3.040 10 0 DGAERO C[N@H+](CCc1ccc(F)c(F)c1)[C@H](CC(N)=O)c1ccccc1 ZINC000361463803 433180857 /nfs/dbraw/zinc/18/08/57/433180857.db2.gz ATJANLHAVAVQPF-QGZVFWFLSA-N 1 0 318.367 3.056 10 0 DGAERO CC1(C)CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)O1 ZINC000336704831 433181299 /nfs/dbraw/zinc/18/12/99/433181299.db2.gz HKYJFJQSRCPKMU-QZTJIDSGSA-N 1 0 302.462 3.198 10 0 DGAERO CC(=O)c1cc(C(=O)NCC[N@@H+](C)C2CCCCC2)ccc1C ZINC000447478585 433204565 /nfs/dbraw/zinc/20/45/65/433204565.db2.gz CAORONPSEBJGSV-UHFFFAOYSA-N 1 0 316.445 3.192 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)cn2)nc1 ZINC000425426144 433236739 /nfs/dbraw/zinc/23/67/39/433236739.db2.gz VJKIAQHTAGDNLZ-DLBZAZTESA-N 1 0 309.413 3.002 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)cn2)nc1 ZINC000425427091 433239005 /nfs/dbraw/zinc/23/90/05/433239005.db2.gz UEDBJNWLKOFMMJ-APWZRJJASA-N 1 0 309.413 3.145 10 0 DGAERO c1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cn2)nc1 ZINC000425474301 433259505 /nfs/dbraw/zinc/25/95/05/433259505.db2.gz IMZIZDGRVCXEBR-LZQZEXGQSA-N 1 0 321.424 3.191 10 0 DGAERO c1cc(C[NH2+]Cc2ccc3c(c2)COC3)n(-c2ccccc2)n1 ZINC000447896791 433317749 /nfs/dbraw/zinc/31/77/49/433317749.db2.gz KNGTZPWKJWXWSR-UHFFFAOYSA-N 1 0 305.381 3.192 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2nc3cc(Cl)ccc3s2)C1 ZINC000454143943 433289728 /nfs/dbraw/zinc/28/97/28/433289728.db2.gz JIFBVKRRGXJDIC-SNVBAGLBSA-N 1 0 323.849 3.021 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(COCCc4ccccc4)n3)cc12 ZINC000351068228 433360911 /nfs/dbraw/zinc/36/09/11/433360911.db2.gz AVHPIHNVMOZUKP-UHFFFAOYSA-N 1 0 320.352 3.144 10 0 DGAERO c1[nH+]cn2ccc(-c3noc([C@H]4Cc5ccccc5O4)n3)cc12 ZINC000351108103 433374347 /nfs/dbraw/zinc/37/43/47/433374347.db2.gz UEOUUEZRMUABDB-OAHLLOKOSA-N 1 0 304.309 3.061 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(C4=Cc5ccccc5OC4)n3)cc12 ZINC000351108155 433375569 /nfs/dbraw/zinc/37/55/69/433375569.db2.gz UKWIZLZUYONPTJ-UHFFFAOYSA-N 1 0 316.320 3.317 10 0 DGAERO COc1ccc(F)c(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000447985949 433335964 /nfs/dbraw/zinc/33/59/64/433335964.db2.gz AAHRMQPFHJGUMP-HNNXBMFYSA-N 1 0 323.412 3.076 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2nc(C)cs2)C[C@@H]1C ZINC000361775560 433387722 /nfs/dbraw/zinc/38/77/22/433387722.db2.gz WXSVEWCPQRPIRQ-IHRRRGAJSA-N 1 0 324.494 3.027 10 0 DGAERO c1ncn(Cc2ccccc2)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342028628 433420435 /nfs/dbraw/zinc/42/04/35/433420435.db2.gz ZAAHCYYARHPUCN-RBUKOAKNSA-N 1 0 311.429 3.075 10 0 DGAERO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)C1CCC1 ZINC000180664354 289964403 /nfs/dbraw/zinc/96/44/03/289964403.db2.gz YVEHLMBWASBWDT-YCPHGPKFSA-N 1 0 308.491 3.288 10 0 DGAERO c1ccc(NCCCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)nc1 ZINC000361888048 433439579 /nfs/dbraw/zinc/43/95/79/433439579.db2.gz IYQYQBUWKGJUQY-KZNAEPCWSA-N 1 0 317.477 3.459 10 0 DGAERO Fc1cc(F)cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375407142 433450941 /nfs/dbraw/zinc/45/09/41/433450941.db2.gz WAWBXNIUYPQLAB-GFCCVEGCSA-N 1 0 305.328 3.215 10 0 DGAERO Cc1cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)ccc1F ZINC000375399293 433452106 /nfs/dbraw/zinc/45/21/06/433452106.db2.gz AOXWALQEGCNZGR-AWEZNQCLSA-N 1 0 301.365 3.384 10 0 DGAERO O=C(CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)c1ccccc1 ZINC000375422826 433456388 /nfs/dbraw/zinc/45/63/88/433456388.db2.gz BSXKBRSKHORKHH-OAHLLOKOSA-N 1 0 311.385 3.009 10 0 DGAERO CCOc1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375415530 433456495 /nfs/dbraw/zinc/45/64/95/433456495.db2.gz PKLCYYMTSIBRPJ-HNNXBMFYSA-N 1 0 313.401 3.335 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1nccn1C ZINC000246092859 290017411 /nfs/dbraw/zinc/01/74/11/290017411.db2.gz WWWSGWRQUSFQAC-MAZHCROVSA-N 1 0 318.852 3.170 10 0 DGAERO CCc1cccnc1[C@H](C)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426302037 433460917 /nfs/dbraw/zinc/46/09/17/433460917.db2.gz GWYINQRXVAQYAK-AWEZNQCLSA-N 1 0 321.424 3.347 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)c1 ZINC000426355149 433471708 /nfs/dbraw/zinc/47/17/08/433471708.db2.gz YHACMDVLWZZLAR-CQSZACIVSA-N 1 0 307.397 3.093 10 0 DGAERO CCCc1nc(CN2CC[C@H](c3nc(C4CC4)no3)C2)cs1 ZINC000375463842 433471741 /nfs/dbraw/zinc/47/17/41/433471741.db2.gz GMJZXLGZCHFXMW-LBPRGKRZSA-N 1 0 318.446 3.346 10 0 DGAERO CCC[N@@H+]1CCCN(c2nn3cc(C(C)(C)C)nc3s2)CC1 ZINC000301256110 433473710 /nfs/dbraw/zinc/47/37/10/433473710.db2.gz FQIDFLYMYWZDTG-UHFFFAOYSA-N 1 0 321.494 3.010 10 0 DGAERO Brc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000355127723 433481751 /nfs/dbraw/zinc/48/17/51/433481751.db2.gz BACSPSRCSVKRTJ-DZGCQCFKSA-N 1 0 310.235 3.450 10 0 DGAERO c1cnnc(N2CCC([NH2+]C3CC4(C3)CCCCC4)CC2)c1 ZINC000421380930 433524011 /nfs/dbraw/zinc/52/40/11/433524011.db2.gz HZQZNQILXLPEIO-UHFFFAOYSA-N 1 0 300.450 3.148 10 0 DGAERO CCC[N@@H+]1CCCN(c2ncnc3sc4c(c32)CCC4)CC1 ZINC000301285643 433489645 /nfs/dbraw/zinc/48/96/45/433489645.db2.gz OFICOKUYAHZPAB-UHFFFAOYSA-N 1 0 316.474 3.102 10 0 DGAERO Brc1cnn(CC[NH2+]C2CC3(C2)CCCCC3)c1 ZINC000421350353 433491195 /nfs/dbraw/zinc/49/11/95/433491195.db2.gz ARYWZYSVSIVPGD-UHFFFAOYSA-N 1 0 312.255 3.348 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCCn1ccnn1 ZINC000342229857 433550460 /nfs/dbraw/zinc/55/04/60/433550460.db2.gz LMPDZEVQJZDJAF-RAXLEYEMSA-N 1 0 324.350 3.380 10 0 DGAERO C[C@@H]1CC(C[NH2+]Cc2cncc(Br)c2)C[C@@H](C)O1 ZINC000282306294 433559689 /nfs/dbraw/zinc/55/96/89/433559689.db2.gz SFDDVNYECJMNDE-GHMZBOCLSA-N 1 0 313.239 3.137 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)[nH]n1 ZINC000375787354 433560292 /nfs/dbraw/zinc/56/02/92/433560292.db2.gz OPDVZNYPDPOUGK-LRDDRELGSA-N 1 0 301.438 3.283 10 0 DGAERO c1cc(-c2ccc(CNc3[nH+]ccn3-c3ccccc3)o2)n[nH]1 ZINC000351562956 433574425 /nfs/dbraw/zinc/57/44/25/433574425.db2.gz FAZATSLWFOEDRM-UHFFFAOYSA-N 1 0 305.341 3.468 10 0 DGAERO CCS[C@H]1CC[C@@]1(O)CNc1cc[nH+]c2cc(F)ccc12 ZINC000301493322 433577848 /nfs/dbraw/zinc/57/78/48/433577848.db2.gz QHNJCQNQKAAHEA-JKSUJKDBSA-N 1 0 306.406 3.432 10 0 DGAERO CCS[C@H]1CC[C@]1(O)CNc1cc[nH+]c2cc(F)ccc12 ZINC000301493320 433580584 /nfs/dbraw/zinc/58/05/84/433580584.db2.gz QHNJCQNQKAAHEA-HOTGVXAUSA-N 1 0 306.406 3.432 10 0 DGAERO CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414375205 433583099 /nfs/dbraw/zinc/58/30/99/433583099.db2.gz YCRZITBPUMUZJK-UHFFFAOYSA-N 1 0 314.351 3.068 10 0 DGAERO C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1nnc(C2CC2)s1 ZINC000414322595 433542658 /nfs/dbraw/zinc/54/26/58/433542658.db2.gz HGJDIRCYNOJBHS-RDBSUJKOSA-N 1 0 307.463 3.100 10 0 DGAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1Cl)[NH+](C)C ZINC000161898830 292843117 /nfs/dbraw/zinc/84/31/17/292843117.db2.gz DUABPZDRSYFFBA-YGRLFVJLSA-N 1 0 300.805 3.387 10 0 DGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000456379745 433633823 /nfs/dbraw/zinc/63/38/23/433633823.db2.gz NEQVQHHWWYEVTJ-YCPHGPKFSA-N 1 0 322.399 3.011 10 0 DGAERO CCc1ccc([C@H]2CC[N@H+](Cc3nnc4n3CCCC4)C2)cc1 ZINC000293154022 433634685 /nfs/dbraw/zinc/63/46/85/433634685.db2.gz BVZUFSKCTIDADO-KRWDZBQOSA-N 1 0 310.445 3.166 10 0 DGAERO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccnc(C)n4)C3)nc2c1 ZINC000376014054 433640810 /nfs/dbraw/zinc/64/08/10/433640810.db2.gz KYIAOTCUECUINF-OAHLLOKOSA-N 1 0 321.428 3.349 10 0 DGAERO C[C@@H](O)c1cnc(C[NH2+]C2CC(C)(c3ccccc3)C2)s1 ZINC000366041888 292906532 /nfs/dbraw/zinc/90/65/32/292906532.db2.gz MFWMLOJDRNSVFB-RFSCMCKOSA-N 1 0 302.443 3.406 10 0 DGAERO Fc1nc(F)c(F)c(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1F ZINC000301584009 433622480 /nfs/dbraw/zinc/62/24/80/433622480.db2.gz AOXNTRHQOWGPFJ-MRVPVSSYSA-N 1 0 303.303 3.067 10 0 DGAERO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)C1 ZINC000376086888 433662050 /nfs/dbraw/zinc/66/20/50/433662050.db2.gz WELPWFAPIHEUHT-AYBZRNKSSA-N 1 0 319.493 3.367 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000449019995 433674725 /nfs/dbraw/zinc/67/47/25/433674725.db2.gz UCNQLVHXJSCLKS-WBMJQRKESA-N 1 0 310.388 3.059 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000366674251 292975720 /nfs/dbraw/zinc/97/57/20/292975720.db2.gz ZQEHOOYEJRNVOI-OAGGEKHMSA-N 1 0 316.445 3.137 10 0 DGAERO Cc1cccc2c(N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)cc[nH+]c12 ZINC000301697821 433683146 /nfs/dbraw/zinc/68/31/46/433683146.db2.gz ZVVMNXRTMCVXLM-UONOGXRCSA-N 1 0 318.442 3.311 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000283184904 433684146 /nfs/dbraw/zinc/68/41/46/433684146.db2.gz KDRLYJRBWWJNNX-JZGRTCEGSA-N 1 0 300.446 3.027 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000367127346 293028518 /nfs/dbraw/zinc/02/85/18/293028518.db2.gz RXWJDBZJFKFRQZ-SZMVWBNQSA-N 1 0 303.446 3.213 10 0 DGAERO COc1ccc([C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)c2nccn2C)cc1 ZINC000367208522 293038572 /nfs/dbraw/zinc/03/85/72/293038572.db2.gz XCPBOGIGCZKHBJ-DZOHQFGASA-N 1 0 311.429 3.296 10 0 DGAERO COC1CCC([NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)CC1 ZINC000368252638 293110670 /nfs/dbraw/zinc/11/06/70/293110670.db2.gz JIAIDZCPBVTXRV-LEOMRAHMSA-N 1 0 317.408 3.196 10 0 DGAERO COc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)CC2)c1 ZINC000370044715 293151888 /nfs/dbraw/zinc/15/18/88/293151888.db2.gz GZAGQFFZDBQEJD-OAHLLOKOSA-N 1 0 316.445 3.040 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000090916496 293160676 /nfs/dbraw/zinc/16/06/76/293160676.db2.gz UJZJPRNGGHYUFZ-IKGGRYGDSA-N 1 0 308.853 3.100 10 0 DGAERO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cn1 ZINC000370664988 293183116 /nfs/dbraw/zinc/18/31/16/293183116.db2.gz MFMCFBDPMBQHCJ-ZWKOTPCHSA-N 1 0 309.413 3.466 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000370722891 293185986 /nfs/dbraw/zinc/18/59/86/293185986.db2.gz UTWNXGNIBZKTRR-KRWDZBQOSA-N 1 0 311.429 3.325 10 0 DGAERO FC(F)(F)COCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000371573390 293212872 /nfs/dbraw/zinc/21/28/72/293212872.db2.gz UBFMNAQKUHHJLD-OAHLLOKOSA-N 1 0 322.415 3.153 10 0 DGAERO C(=C/[C@@H]1CCCCC[N@H+]1CCn1cncn1)\c1cccs1 ZINC000373270006 293255095 /nfs/dbraw/zinc/25/50/95/293255095.db2.gz XMJROFNNJOIUAQ-KIUWMYQTSA-N 1 0 302.447 3.298 10 0 DGAERO Cc1csc(C[NH2+]CC2CCN(c3ccccc3)CC2)n1 ZINC000373466374 293278679 /nfs/dbraw/zinc/27/86/79/293278679.db2.gz OHVZLAHRCUIZJE-UHFFFAOYSA-N 1 0 301.459 3.458 10 0 DGAERO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000362449555 433721563 /nfs/dbraw/zinc/72/15/63/433721563.db2.gz PAYSRFCVBOCWEY-OAGGEKHMSA-N 1 0 304.434 3.454 10 0 DGAERO C[NH+]1CCC(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000362436614 433713659 /nfs/dbraw/zinc/71/36/59/433713659.db2.gz APSJIALAMOSUKV-UHFFFAOYSA-N 1 0 315.442 3.481 10 0 DGAERO CC[C@@H](C)[NH+]1CCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC000456534209 433715021 /nfs/dbraw/zinc/71/50/21/433715021.db2.gz SHPJPTGBLLPCGV-VDZSZVPASA-N 1 0 300.446 3.423 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ncnc2ccc(F)cc21 ZINC000301779637 433721635 /nfs/dbraw/zinc/72/16/35/433721635.db2.gz QUXIEEQCXBSGHV-CQSZACIVSA-N 1 0 302.397 3.301 10 0 DGAERO c1csc(-c2cnc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)o2)c1 ZINC000362455780 433727045 /nfs/dbraw/zinc/72/70/45/433727045.db2.gz TYRYDWUYXCPADN-CHWSQXEVSA-N 1 0 304.415 3.404 10 0 DGAERO c1cc(-c2nc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)cs2)co1 ZINC000362454370 433727650 /nfs/dbraw/zinc/72/76/50/433727650.db2.gz PYUPZOCLQJPDHE-SWLSCSKDSA-N 1 0 304.415 3.404 10 0 DGAERO C[C@@H](C[N@@H+]1CCCC12CCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000449282424 433736026 /nfs/dbraw/zinc/73/60/26/433736026.db2.gz HLRSFILEQDRXSA-AWEZNQCLSA-N 1 0 307.459 3.212 10 0 DGAERO Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)CCC2 ZINC000150933317 293431013 /nfs/dbraw/zinc/43/10/13/293431013.db2.gz RVXPKSGUQOHBAJ-HNNXBMFYSA-N 1 0 321.490 3.066 10 0 DGAERO C[C@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000362449557 433723272 /nfs/dbraw/zinc/72/32/72/433723272.db2.gz PAYSRFCVBOCWEY-PMPSAXMXSA-N 1 0 304.434 3.454 10 0 DGAERO c1nc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)sc1C1OCCO1 ZINC000293678867 433823591 /nfs/dbraw/zinc/82/35/91/433823591.db2.gz PNZMFKBVJCRKBI-KBPBESRZSA-N 1 0 316.426 3.082 10 0 DGAERO c1ccc(COCCC[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000339777684 433773855 /nfs/dbraw/zinc/77/38/55/433773855.db2.gz PNNQJZNRVDDLAU-IBGZPJMESA-N 1 0 303.446 3.484 10 0 DGAERO c1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)n(-c2ccccc2)n1 ZINC000293559183 433784426 /nfs/dbraw/zinc/78/44/26/433784426.db2.gz FVXCMSIOUTVBOX-LJQANCHMSA-N 1 0 323.440 3.263 10 0 DGAERO Cc1nc2c(c(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)n1)CCCC2 ZINC000302104722 433814242 /nfs/dbraw/zinc/81/42/42/433814242.db2.gz RLEHGOUYJHJKJC-CVEARBPZSA-N 1 0 314.477 3.115 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000377415016 433873647 /nfs/dbraw/zinc/87/36/47/433873647.db2.gz WYSWNCATUAWSNR-CXAGYDPISA-N 1 0 309.413 3.303 10 0 DGAERO c1c(C[NH2+]CCOc2ccc3ccccc3c2)nc2ncccn12 ZINC000357026934 433831710 /nfs/dbraw/zinc/83/17/10/433831710.db2.gz RMWSSELSYXLKGS-UHFFFAOYSA-N 1 0 318.380 3.051 10 0 DGAERO Cc1cc(C)c(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000456862682 433870897 /nfs/dbraw/zinc/87/08/97/433870897.db2.gz QGHSQWBGCYPYLW-UHFFFAOYSA-N 1 0 323.440 3.224 10 0 DGAERO C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000362901131 433903058 /nfs/dbraw/zinc/90/30/58/433903058.db2.gz OKRNWVBMJNVKIJ-LBPRGKRZSA-N 1 0 322.399 3.142 10 0 DGAERO Cn1nc(C2CCCCC2)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000362917603 433907863 /nfs/dbraw/zinc/90/78/63/433907863.db2.gz KMGRGATZXZVXSW-UHFFFAOYSA-N 1 0 318.465 3.138 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1Cl ZINC000377564831 293677913 /nfs/dbraw/zinc/67/79/13/293677913.db2.gz ORKYZVUDGCUYNQ-BJRSVTDJSA-N 1 0 318.848 3.345 10 0 DGAERO Cc1ccoc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000293906108 433918168 /nfs/dbraw/zinc/91/81/68/433918168.db2.gz ZVMIIORASKKHBI-KBPBESRZSA-N 1 0 308.422 3.323 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(O)c1 ZINC000357250730 433927955 /nfs/dbraw/zinc/92/79/55/433927955.db2.gz BMCPUYHNJTXLPZ-HOTGVXAUSA-N 1 0 324.424 3.127 10 0 DGAERO c1nc2ccccn2c1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000357344882 433964667 /nfs/dbraw/zinc/96/46/67/433964667.db2.gz MIDNMZANCQLNAF-VQIMIIECSA-N 1 0 307.397 3.202 10 0 DGAERO CS[C@H]1CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000390532418 293822519 /nfs/dbraw/zinc/82/25/19/293822519.db2.gz IYLHTWOSYUCLJN-OLZOCXBDSA-N 1 0 300.265 3.475 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(Br)c1F)[C@H]1CCCO1 ZINC000394907784 293835247 /nfs/dbraw/zinc/83/52/47/293835247.db2.gz LAPLEIYEHZATFY-BXKDBHETSA-N 1 0 302.187 3.245 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]C(C)(C)C(C)(C)O ZINC000395242717 293838492 /nfs/dbraw/zinc/83/84/92/293838492.db2.gz UZYLTKYYEAPTKU-UHFFFAOYSA-N 1 0 300.240 3.397 10 0 DGAERO Brc1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc2c1OCCO2 ZINC000397668186 293847802 /nfs/dbraw/zinc/84/78/02/293847802.db2.gz MEBSXVQYIBZTPU-ZSBIGDGJSA-N 1 0 324.218 3.108 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000397780181 293848374 /nfs/dbraw/zinc/84/83/74/293848374.db2.gz VMBOTAXEJFTARJ-NPJQDHAYSA-N 1 0 308.466 3.410 10 0 DGAERO C[N@H+](CCCCNC(=O)c1cc(C2CCCCC2)n[nH]1)C1CC1 ZINC000457171023 434030564 /nfs/dbraw/zinc/03/05/64/434030564.db2.gz RGOBTCTTXGQWAZ-UHFFFAOYSA-N 1 0 318.465 3.062 10 0 DGAERO COCCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400334104 293863529 /nfs/dbraw/zinc/86/35/29/293863529.db2.gz FNUPVDIUZNPKPD-LSDHHAIUSA-N 1 0 314.470 3.038 10 0 DGAERO Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000400413999 293864296 /nfs/dbraw/zinc/86/42/96/293864296.db2.gz UVZWMVPLRSFMGC-HUUCEWRRSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@H](NCc1ccccc1OCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400748897 293865792 /nfs/dbraw/zinc/86/57/92/293865792.db2.gz UZVVWCHAMTVYTI-LPHOPBHVSA-N 1 0 310.441 3.496 10 0 DGAERO Fc1cc(C[NH2+]CCC[C@@H]2CCOC2)ccc1Br ZINC000402340029 293869633 /nfs/dbraw/zinc/86/96/33/293869633.db2.gz VZEVCHZPFLIOKD-LLVKDONJSA-N 1 0 316.214 3.495 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000436530712 433994409 /nfs/dbraw/zinc/99/44/09/433994409.db2.gz FEXJDKUIWLPHBD-UHFFFAOYSA-N 1 0 324.852 3.240 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000340355093 434082467 /nfs/dbraw/zinc/08/24/67/434082467.db2.gz FHTXFPIMYOJJNV-APWZRJJASA-N 1 0 304.478 3.444 10 0 DGAERO CC(C)(C[NH+]1CCCC1)NCc1ccsc1Br ZINC000308632003 434091510 /nfs/dbraw/zinc/09/15/10/434091510.db2.gz DMVJZXHSJRPHMW-UHFFFAOYSA-N 1 0 317.296 3.475 10 0 DGAERO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C3CC3)cc1)CC2 ZINC000459336286 293964261 /nfs/dbraw/zinc/96/42/61/293964261.db2.gz ALXFDWLYKWJSKR-OALUTQOASA-N 1 0 315.457 3.316 10 0 DGAERO c1ccc2c(c1)nc(CNC1CC[NH+](C3CC3)CC1)n2C1CC1 ZINC000459483920 293979565 /nfs/dbraw/zinc/97/95/65/293979565.db2.gz SPNQUTGICRGVRL-UHFFFAOYSA-N 1 0 310.445 3.088 10 0 DGAERO c1c(CN2CC[C@@H]([NH+]3CCCCC3)C2)[nH]nc1-c1ccccc1 ZINC000353404695 434112936 /nfs/dbraw/zinc/11/29/36/434112936.db2.gz PJSVGDSJYHTSHG-GOSISDBHSA-N 1 0 310.445 3.137 10 0 DGAERO C[N@@H+](Cc1ccccc1Br)C[C@@H]1CCC[C@H](O)C1 ZINC000311136992 434114429 /nfs/dbraw/zinc/11/44/29/434114429.db2.gz SFQJDJNXVMKFJL-OCCSQVGLSA-N 1 0 312.251 3.432 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000313062153 434117284 /nfs/dbraw/zinc/11/72/84/434117284.db2.gz JKLGXNRYGFBLAG-LBPRGKRZSA-N 1 0 302.187 3.103 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000313069981 434118196 /nfs/dbraw/zinc/11/81/96/434118196.db2.gz UCLILSQQAPCKBH-LBPRGKRZSA-N 1 0 302.187 3.103 10 0 DGAERO Clc1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(Cl)s1 ZINC000312753928 434118786 /nfs/dbraw/zinc/11/87/86/434118786.db2.gz AEGASOOJJWMIEH-ZWNOBZJWSA-N 1 0 322.257 3.483 10 0 DGAERO c1c(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)nnn1CC1CC1 ZINC000450347549 434120029 /nfs/dbraw/zinc/12/00/29/434120029.db2.gz PRSLZZXKMOPMRB-GOSISDBHSA-N 1 0 310.445 3.458 10 0 DGAERO CC1(C)COC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000313034218 434120047 /nfs/dbraw/zinc/12/00/47/434120047.db2.gz KVELHKMOLNCCTF-UONOGXRCSA-N 1 0 310.235 3.451 10 0 DGAERO CC[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)cc1 ZINC000313262537 434125058 /nfs/dbraw/zinc/12/50/58/434125058.db2.gz KQCHYWMNRFXIRO-OAHLLOKOSA-N 1 0 322.250 3.466 10 0 DGAERO CC(C)Cn1cc(C(=O)NCC2CC[NH2+]CC2)c2ccccc21 ZINC000457362479 434125473 /nfs/dbraw/zinc/12/54/73/434125473.db2.gz BZGSPXLGSJPWFV-UHFFFAOYSA-N 1 0 313.445 3.027 10 0 DGAERO C[C@@H]1COCCN1CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000499646172 294089450 /nfs/dbraw/zinc/08/94/50/294089450.db2.gz ZJVMAIXKPRMFBE-QRQLOZEOSA-N 1 0 302.462 3.023 10 0 DGAERO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000505762976 294252624 /nfs/dbraw/zinc/25/26/24/294252624.db2.gz MCUVQRFTDRJMNL-KBMXLJTQSA-N 1 0 324.444 3.015 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000506310333 294268688 /nfs/dbraw/zinc/26/86/88/294268688.db2.gz NKMGMORXUDGUEE-ZDUSSCGKSA-N 1 0 317.360 3.471 10 0 DGAERO O=C(NC1CCCCC1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000506591376 294272886 /nfs/dbraw/zinc/27/28/86/294272886.db2.gz BCRHELDQXXZDTO-MRXNPFEDSA-N 1 0 305.466 3.003 10 0 DGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)c2ccc(C)cc2)C1 ZINC000507375441 294296356 /nfs/dbraw/zinc/29/63/56/294296356.db2.gz BSYNLLIVYMMDIO-IRXDYDNUSA-N 1 0 317.477 3.130 10 0 DGAERO CC(C)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509963148 294370199 /nfs/dbraw/zinc/37/01/99/294370199.db2.gz HJJRPMVUFFQKGP-AEFFLSMTSA-N 1 0 302.462 3.244 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000510260069 294378986 /nfs/dbraw/zinc/37/89/86/294378986.db2.gz RIXZBOONRUIGDV-SFHVURJKSA-N 1 0 314.473 3.441 10 0 DGAERO C[NH+]1CCN(Cc2cccc(N[C@@H]3CC[C@H]3C3CCC3)c2)CC1 ZINC000510684356 294389449 /nfs/dbraw/zinc/38/94/49/294389449.db2.gz PVSOZGOFAFEWRJ-VQTJNVASSA-N 1 0 313.489 3.425 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c(N2CCOCC2)c1 ZINC000510723746 294390497 /nfs/dbraw/zinc/39/04/97/294390497.db2.gz SRHGJENFWDDLRK-RTBURBONSA-N 1 0 314.473 3.500 10 0 DGAERO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](CO)CC1CCCC1 ZINC000510930015 294396422 /nfs/dbraw/zinc/39/64/22/294396422.db2.gz FPIRBRYPDQANHY-GUYCJALGSA-N 1 0 322.424 3.074 10 0 DGAERO FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000510961783 294397415 /nfs/dbraw/zinc/39/74/15/294397415.db2.gz NNPMAYYGINKQGN-HUUCEWRRSA-N 1 0 304.400 3.429 10 0 DGAERO c1ccc2nc(CC[NH2+]Cc3cccc4c3OCCO4)ccc2c1 ZINC000340445704 434134573 /nfs/dbraw/zinc/13/45/73/434134573.db2.gz VCJDPXZVBUVRFN-UHFFFAOYSA-N 1 0 320.392 3.338 10 0 DGAERO COc1cc(C2(C(=O)Nc3cc(C)cc(C[NH3+])c3)CC2)ccc1C ZINC000457386635 434139864 /nfs/dbraw/zinc/13/98/64/434139864.db2.gz WYESIUGUALWVIL-UHFFFAOYSA-N 1 0 324.424 3.441 10 0 DGAERO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000357735639 434158939 /nfs/dbraw/zinc/15/89/39/434158939.db2.gz YUEDNCIVJIVNGF-CQSZACIVSA-N 1 0 306.475 3.409 10 0 DGAERO c1ccc(N2CCC([NH2+]CCc3cnc(C4CC4)nc3)CC2)cc1 ZINC000378400719 434172786 /nfs/dbraw/zinc/17/27/86/434172786.db2.gz IWGRGTKNDGGSEK-UHFFFAOYSA-N 1 0 322.456 3.155 10 0 DGAERO Cc1ccccc1C1CC(N(Cc2nnnn2C2CC2)C2CC2)C1 ZINC000357810417 434195096 /nfs/dbraw/zinc/19/50/96/434195096.db2.gz SAPYJAUSZFVDKQ-UHFFFAOYSA-N 1 0 323.444 3.227 10 0 DGAERO c1cnn(CCCCC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000378501105 434206161 /nfs/dbraw/zinc/20/61/61/434206161.db2.gz MCHPUBAMOGVPAJ-RBUKOAKNSA-N 1 0 313.445 3.421 10 0 DGAERO c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccnc4cccnc43)C2)cc1 ZINC000379159967 434254229 /nfs/dbraw/zinc/25/42/29/434254229.db2.gz JNBWAWSRZOUHLJ-QGZVFWFLSA-N 1 0 318.424 3.128 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000379652157 434260268 /nfs/dbraw/zinc/26/02/68/434260268.db2.gz WABJVZUNCITJFD-ZCNNSNEGSA-N 1 0 316.489 3.446 10 0 DGAERO C[C@H]([NH2+]Cc1cscc1Br)C1CCOCC1 ZINC000286440308 434269759 /nfs/dbraw/zinc/26/97/59/434269759.db2.gz JHVPBVSVRQOBRG-VIFPVBQESA-N 1 0 304.253 3.415 10 0 DGAERO CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000437492647 434271509 /nfs/dbraw/zinc/27/15/09/434271509.db2.gz RNVDUMOHFMLGSP-GDBMZVCRSA-N 1 0 306.450 3.483 10 0 DGAERO OC1(C(F)(F)F)CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000381583600 434271925 /nfs/dbraw/zinc/27/19/25/434271925.db2.gz CEMUJBBVRJYXML-SNVBAGLBSA-N 1 0 301.299 3.201 10 0 DGAERO Cc1cccnc1CC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000295137490 434223343 /nfs/dbraw/zinc/22/33/43/434223343.db2.gz ZIDYCHNNZCRTGH-IEBWSBKVSA-N 1 0 309.457 3.185 10 0 DGAERO CC1(C)CN(Cc2ccnc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000383108984 434283771 /nfs/dbraw/zinc/28/37/71/434283771.db2.gz LXFMNUICSABLNU-UHFFFAOYSA-N 1 0 320.440 3.050 10 0 DGAERO COCc1nc(C[NH2+]C2CC(OCc3ccccc3)C2)cs1 ZINC000353627433 434284914 /nfs/dbraw/zinc/28/49/14/434284914.db2.gz WCAVMVMISXYETH-UHFFFAOYSA-N 1 0 318.442 3.127 10 0 DGAERO C[N@@H+](Cc1csc(Br)c1)C[C@H]1CCC[C@@H](O)C1 ZINC000383731670 434288134 /nfs/dbraw/zinc/28/81/34/434288134.db2.gz WWPACUCJFCKEQW-CMPLNLGQSA-N 1 0 318.280 3.494 10 0 DGAERO c1ccc(OC2CC2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000450605286 434288704 /nfs/dbraw/zinc/28/87/04/434288704.db2.gz ZDHIINHAFAYCRC-NVXWUHKLSA-N 1 0 301.430 3.476 10 0 DGAERO CC(=O)c1cnc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)s1 ZINC000423218527 434290308 /nfs/dbraw/zinc/29/03/08/434290308.db2.gz URMLMTLMYJCPHO-ZDUSSCGKSA-N 1 0 317.414 3.010 10 0 DGAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000386196331 434308271 /nfs/dbraw/zinc/30/82/71/434308271.db2.gz BLQQAWNCLDBQQN-DGCLKSJQSA-N 1 0 306.793 3.198 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000386361071 434309945 /nfs/dbraw/zinc/30/99/45/434309945.db2.gz ZJIHPUBKUUMWFE-RISCZKNCSA-N 1 0 316.214 3.181 10 0 DGAERO c1csc(-c2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752939 434314827 /nfs/dbraw/zinc/31/48/27/434314827.db2.gz CLJINYZNRNGBNE-UKRRQHHQSA-N 1 0 317.458 3.367 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3N[C@H]1CCC[NH2+]C1)CCCC2 ZINC000423192894 434276891 /nfs/dbraw/zinc/27/68/91/434276891.db2.gz QCJCKZDDZJAQND-WMZOPIPTSA-N 1 0 300.446 3.121 10 0 DGAERO CC(C)n1cncc1C[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000390600413 434362717 /nfs/dbraw/zinc/36/27/17/434362717.db2.gz WHNOIKOIHVSDDT-SFHVURJKSA-N 1 0 312.461 3.218 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390804103 434370708 /nfs/dbraw/zinc/37/07/08/434370708.db2.gz WCCKSPRPQAFKKQ-HZZCBIDNSA-N 1 0 312.457 3.059 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000450728671 434372435 /nfs/dbraw/zinc/37/24/35/434372435.db2.gz PKJQCWQSEWRSEO-UEKVPHQBSA-N 1 0 317.351 3.127 10 0 DGAERO Cc1cc(C[NH2+]CCOc2cccc(Br)c2)ccn1 ZINC000391186863 434379912 /nfs/dbraw/zinc/37/99/12/434379912.db2.gz MPFVTOOOMKFEJB-UHFFFAOYSA-N 1 0 321.218 3.321 10 0 DGAERO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC[C@H](C)O ZINC000450751704 434388399 /nfs/dbraw/zinc/38/83/99/434388399.db2.gz BRGPBZWZZDETJV-JSGCOSHPSA-N 1 0 314.267 3.473 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccsc1Br ZINC000388444068 434336733 /nfs/dbraw/zinc/33/67/33/434336733.db2.gz WRNNLAVOAONYAU-ZYHUDNBSSA-N 1 0 315.280 3.179 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NCc1ccsc1Br ZINC000388842505 434340880 /nfs/dbraw/zinc/34/08/80/434340880.db2.gz XBZZDSZFEJICSJ-LLVKDONJSA-N 1 0 317.296 3.475 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNCc1ccsc1Br ZINC000388877343 434343036 /nfs/dbraw/zinc/34/30/36/434343036.db2.gz FZQHAVVXKNCEBI-NSHDSACASA-N 1 0 303.269 3.085 10 0 DGAERO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000389225510 434344219 /nfs/dbraw/zinc/34/42/19/434344219.db2.gz GXGFXVUISBCZRR-PWSUYJOCSA-N 1 0 315.230 3.333 10 0 DGAERO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000437839135 434345297 /nfs/dbraw/zinc/34/52/97/434345297.db2.gz LXAXNSYNIRVNHE-WNRNVDISSA-N 1 0 304.478 3.336 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000389868533 434350875 /nfs/dbraw/zinc/35/08/75/434350875.db2.gz NKWJXMDXFGGNRA-WMQCIHAUSA-N 1 0 324.468 3.484 10 0 DGAERO Brc1cccc2c1CC[C@@H]2[NH2+]CC1=CCOCC1 ZINC000397853169 434445815 /nfs/dbraw/zinc/44/58/15/434445815.db2.gz BDWFOCFKFPSQPG-HNNXBMFYSA-N 1 0 308.219 3.373 10 0 DGAERO c1cnn(-c2ncccc2C[NH2+]CCCCOc2ccccc2)c1 ZINC000438074660 434394846 /nfs/dbraw/zinc/39/48/46/434394846.db2.gz GXCZOHDAZSSBLF-UHFFFAOYSA-N 1 0 322.412 3.216 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000394311313 434403999 /nfs/dbraw/zinc/40/39/99/434403999.db2.gz CTDWRRIAHMBHOH-CYBMUJFWSA-N 1 0 315.244 3.484 10 0 DGAERO Fc1c(Br)cccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000394910996 434407548 /nfs/dbraw/zinc/40/75/48/434407548.db2.gz ODLSZPYCZQBXEH-NSHDSACASA-N 1 0 302.187 3.247 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cs1 ZINC000438105256 434408834 /nfs/dbraw/zinc/40/88/34/434408834.db2.gz ZQHYCXHDRDNLFP-WFASDCNBSA-N 1 0 303.431 3.139 10 0 DGAERO Cc1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1F ZINC000329635002 434448103 /nfs/dbraw/zinc/44/81/03/434448103.db2.gz XTDXERXAFFHYCL-GUYCJALGSA-N 1 0 317.364 3.110 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1csc(Br)c1 ZINC000395192320 434414703 /nfs/dbraw/zinc/41/47/03/434414703.db2.gz IYMAOFKESAANLW-QWRGUYRKSA-N 1 0 304.253 3.103 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000395253217 434415579 /nfs/dbraw/zinc/41/55/79/434415579.db2.gz ZGTWOLDIDXMSTI-DOMZBBRYSA-N 1 0 312.251 3.398 10 0 DGAERO Brc1cccc2c1C[N@H+](CC[C@@H]1CCOC1)CC2 ZINC000438118945 434416712 /nfs/dbraw/zinc/41/67/12/434416712.db2.gz RLNPFPMXEPIGHI-GFCCVEGCSA-N 1 0 310.235 3.234 10 0 DGAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccnc(C)n2)C12CCCCC2 ZINC000366425960 434417357 /nfs/dbraw/zinc/41/73/57/434417357.db2.gz DLQQDKAZIGJSKU-DLBZAZTESA-N 1 0 303.450 3.345 10 0 DGAERO Cc1nccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000366446875 434421001 /nfs/dbraw/zinc/42/10/01/434421001.db2.gz BKHROXIFMOVMTD-UZLBHIALSA-N 1 0 324.472 3.270 10 0 DGAERO Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)nc1C ZINC000457984598 434429214 /nfs/dbraw/zinc/42/92/14/434429214.db2.gz NEEYCKXSLSLEHZ-UHFFFAOYSA-N 1 0 323.440 3.224 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[C@H](C)O1 ZINC000295677312 434430561 /nfs/dbraw/zinc/43/05/61/434430561.db2.gz KPKWGNIJDKHJCH-CTRAYCPCSA-N 1 0 302.462 3.195 10 0 DGAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)s3)C[C@H]2C1 ZINC000398784036 434466173 /nfs/dbraw/zinc/46/61/73/434466173.db2.gz OAQAJDDLWTYAKB-HBNTYKKESA-N 1 0 316.264 3.103 10 0 DGAERO CCSCc1cccc(NC(=O)NC[C@H]2CC[N@H+](CC)C2)c1 ZINC000438378574 434473457 /nfs/dbraw/zinc/47/34/57/434473457.db2.gz ZBZAMSWCUIKJSD-OAHLLOKOSA-N 1 0 321.490 3.403 10 0 DGAERO c1ccc2nc(C[N@H+]3CC[C@H](OCc4ccncc4)C3)ccc2c1 ZINC000287956750 434488733 /nfs/dbraw/zinc/48/87/33/434488733.db2.gz YLXIEZQXGCWZNR-IBGZPJMESA-N 1 0 319.408 3.421 10 0 DGAERO CSC1(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400731668 434489456 /nfs/dbraw/zinc/48/94/56/434489456.db2.gz QSPPBKDZHMSIHV-STQMWFEESA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@H](NCc1ccccc1OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400750538 434491534 /nfs/dbraw/zinc/49/15/34/434491534.db2.gz MTDVWQMUELMAAC-AEFFLSMTSA-N 1 0 310.441 3.353 10 0 DGAERO COc1ccc(C[N@H+](CC[C@H](C)O)[C@H](C)C2CC2)c(OC)c1 ZINC000450932803 434492375 /nfs/dbraw/zinc/49/23/75/434492375.db2.gz CQAFCFSLVXDZPN-UONOGXRCSA-N 1 0 307.434 3.075 10 0 DGAERO CC(=O)c1cccc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000450940067 434493847 /nfs/dbraw/zinc/49/38/47/434493847.db2.gz NEFFVOIYCAQYRF-NRFANRHFSA-N 1 0 323.436 3.415 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000522185870 294910235 /nfs/dbraw/zinc/91/02/35/294910235.db2.gz DEZSDZFQFJTBLZ-WBVHZDCISA-N 1 0 320.477 3.424 10 0 DGAERO C[C@]1(C[NH2+]C[C@H]2CCCOC2)CCCN1Cc1ccccc1 ZINC000398016094 434452961 /nfs/dbraw/zinc/45/29/61/434452961.db2.gz QINFTNYRDVVOKH-RTBURBONSA-N 1 0 302.462 3.057 10 0 DGAERO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cccc(Cl)c1Cl ZINC000404183129 434508601 /nfs/dbraw/zinc/50/86/01/434508601.db2.gz DOCXWGVQGDSYNF-QMTHXVAHSA-N 1 0 304.217 3.186 10 0 DGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000458185145 434516204 /nfs/dbraw/zinc/51/62/04/434516204.db2.gz GNTBLMLUGVVXFO-HNNXBMFYSA-N 1 0 312.413 3.408 10 0 DGAERO CN(Cc1ccccc1)C1(C[NH2+]Cc2ccns2)CCC1 ZINC000404469684 434517289 /nfs/dbraw/zinc/51/72/89/434517289.db2.gz ZRCYUDOMAQTYDB-UHFFFAOYSA-N 1 0 301.459 3.287 10 0 DGAERO CC1(C)C[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C[C@@]2(CCOC2)O1 ZINC000366874328 434530486 /nfs/dbraw/zinc/53/04/86/434530486.db2.gz ICDSQDKTOYSDFY-QFBILLFUSA-N 1 0 323.477 3.138 10 0 DGAERO CC(C)c1nc([C@@H]2CCC[N@H+](C[C@@H]3CCO[C@H](C)C3)C2)no1 ZINC000408144816 434545966 /nfs/dbraw/zinc/54/59/66/434545966.db2.gz NRLNYQQFPHYVMA-RBSFLKMASA-N 1 0 307.438 3.188 10 0 DGAERO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@H](O)CC(F)(F)F)c1 ZINC000526058490 295054506 /nfs/dbraw/zinc/05/45/06/295054506.db2.gz DMWLWLSDKGKUIW-UONOGXRCSA-N 1 0 317.351 3.015 10 0 DGAERO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000526932466 295063252 /nfs/dbraw/zinc/06/32/52/295063252.db2.gz PJAKEJWKWLLVQN-JSGCOSHPSA-N 1 0 320.399 3.440 10 0 DGAERO C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)CCO1 ZINC000527688662 295115709 /nfs/dbraw/zinc/11/57/09/295115709.db2.gz RVBKRHJOASFNNV-WCBMZHEXSA-N 1 0 320.177 3.384 10 0 DGAERO CCOC1CC([NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527696511 295117004 /nfs/dbraw/zinc/11/70/04/295117004.db2.gz LBONRWYBKGHVJW-UHFFFAOYSA-N 1 0 320.177 3.384 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527713167 295119263 /nfs/dbraw/zinc/11/92/63/295119263.db2.gz TZULRFKNZXVSBO-ZDUSSCGKSA-N 1 0 322.193 3.224 10 0 DGAERO c1cn2c(C[NH2+]CC[C@H]3CCCOC3)c(C3CC3)nc2s1 ZINC000527735059 295122453 /nfs/dbraw/zinc/12/24/53/295122453.db2.gz BHTRJMSBZXGIMZ-GFCCVEGCSA-N 1 0 305.447 3.180 10 0 DGAERO c1sc(-c2ccccn2)nc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527736730 295122907 /nfs/dbraw/zinc/12/29/07/295122907.db2.gz FYHDURPFLGKIEA-ZDUSSCGKSA-N 1 0 303.431 3.111 10 0 DGAERO c1ccc([C@H]([NH2+]Cc2cccc3c2OCCO3)C2CCC2)nc1 ZINC000527773156 295128389 /nfs/dbraw/zinc/12/83/89/295128389.db2.gz POVGPENITKDZOZ-GOSISDBHSA-N 1 0 310.397 3.484 10 0 DGAERO COc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000092785756 295128423 /nfs/dbraw/zinc/12/84/23/295128423.db2.gz GUFWVIUVPQUKJD-QGZVFWFLSA-N 1 0 318.461 3.154 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cccc(O)c1Br ZINC000527805641 295133520 /nfs/dbraw/zinc/13/35/20/295133520.db2.gz VEPXXGQFBKXJNP-PUXPGTEJSA-N 1 0 314.223 3.056 10 0 DGAERO c1oc(-c2ccccc2)nc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527804749 295133566 /nfs/dbraw/zinc/13/35/66/295133566.db2.gz AYPZUGKTVUCQSP-SFHVURJKSA-N 1 0 311.429 3.448 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000527807320 295134120 /nfs/dbraw/zinc/13/41/20/295134120.db2.gz ZFNMBTGXWXUOHT-UOKLYIGXSA-N 1 0 304.253 3.412 10 0 DGAERO C([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CCN1C1CCCCC1 ZINC000527949011 295155791 /nfs/dbraw/zinc/15/57/91/295155791.db2.gz NQHPXQICSOPMDF-CUYAVPTFSA-N 1 0 306.494 3.475 10 0 DGAERO CCn1nncc1C[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000459395742 434576095 /nfs/dbraw/zinc/57/60/95/434576095.db2.gz ZAFJVWQYZLDGBX-MRXNPFEDSA-N 1 0 320.412 3.020 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000261649613 295272287 /nfs/dbraw/zinc/27/22/87/295272287.db2.gz DKALNTFPTICVTQ-MKXGPGLRSA-N 1 0 314.473 3.279 10 0 DGAERO c1ccc2nc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)ccc2c1 ZINC000354042165 434591256 /nfs/dbraw/zinc/59/12/56/434591256.db2.gz WFAWSXPYRJWKTP-SFHVURJKSA-N 1 0 312.413 3.005 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCC[NH2+]C(C)(C)C ZINC000439490257 434616703 /nfs/dbraw/zinc/61/67/03/434616703.db2.gz AUSXLRBDHDOLCR-MRXNPFEDSA-N 1 0 320.477 3.472 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCCc1ccncc1)CC2 ZINC000360492613 434620920 /nfs/dbraw/zinc/62/09/20/434620920.db2.gz SKDPFKVQTDWQJS-UHFFFAOYSA-N 1 0 308.425 3.318 10 0 DGAERO c1ccc(COc2cccc(C[NH+]3CC4(C3)CCCOC4)c2)nc1 ZINC000459604453 434626055 /nfs/dbraw/zinc/62/60/55/434626055.db2.gz JYUIOOXSXPEZHU-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO CC1(CC(F)(F)F)C[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000459645118 434645901 /nfs/dbraw/zinc/64/59/01/434645901.db2.gz YKPBNESGUWTJEH-UHFFFAOYSA-N 1 0 310.323 3.042 10 0 DGAERO COc1cc(C)cc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000459542937 434600076 /nfs/dbraw/zinc/60/00/76/434600076.db2.gz OTWKOHFLSOEODQ-HNNXBMFYSA-N 1 0 319.449 3.165 10 0 DGAERO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000459548023 434603711 /nfs/dbraw/zinc/60/37/11/434603711.db2.gz LIEIMVQVFHLJDB-GOSISDBHSA-N 1 0 300.446 3.445 10 0 DGAERO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1COCC1(C)C ZINC000459567473 434609377 /nfs/dbraw/zinc/60/93/77/434609377.db2.gz IMCZASBWUKGBLM-CQSZACIVSA-N 1 0 305.447 3.096 10 0 DGAERO c1ccc(COc2cccc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)c2)nc1 ZINC000459755068 434697590 /nfs/dbraw/zinc/69/75/90/434697590.db2.gz NIVJINDCZMAFJX-WMZOPIPTSA-N 1 0 312.438 3.350 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000360729800 434678326 /nfs/dbraw/zinc/67/83/26/434678326.db2.gz RYQZDFNMIXPBCT-HOCLYGCPSA-N 1 0 315.442 3.252 10 0 DGAERO COc1ccc(F)cc1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000360973540 434750912 /nfs/dbraw/zinc/75/09/12/434750912.db2.gz KGNJSDVKGFNQDR-OAHLLOKOSA-N 1 0 317.360 3.154 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000249091306 297140828 /nfs/dbraw/zinc/14/08/28/297140828.db2.gz KNGXJYBBSKIZSC-ISWURRPUSA-N 1 0 308.853 3.100 10 0 DGAERO C[C@@H]1CCC[C@](CNC(=O)N2CCCC23CCC3)([NH+](C)C)C1 ZINC000445264967 434793045 /nfs/dbraw/zinc/79/30/45/434793045.db2.gz MRFPLJXCITZHSR-QAPCUYQASA-N 1 0 307.482 3.225 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2Cc3ccccc3[C@@H]2C)C1 ZINC000361131264 434805756 /nfs/dbraw/zinc/80/57/56/434805756.db2.gz IMDMWQYWHACQHO-JKIFEVAISA-N 1 0 301.434 3.002 10 0 DGAERO COC1([C@@H](C)[NH2+]CC2(Sc3ccccc3)CC2)CCOCC1 ZINC000453123547 434807033 /nfs/dbraw/zinc/80/70/33/434807033.db2.gz ZCXLDPCNCKYUHB-OAHLLOKOSA-N 1 0 321.486 3.485 10 0 DGAERO c1cc(CSC[C@H]2COCCO2)cc(C[NH+]2CCCCC2)c1 ZINC000419560969 434808359 /nfs/dbraw/zinc/80/83/59/434808359.db2.gz RIXJENVXLKFOAY-GOSISDBHSA-N 1 0 321.486 3.321 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCOCc2ccc(Cl)cc2)c2nccn21 ZINC000453174790 434821760 /nfs/dbraw/zinc/82/17/60/434821760.db2.gz PAXMHSUHSIQBBQ-DOMZBBRYSA-N 1 0 305.809 3.349 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)c2ccccc2C1 ZINC000372408334 434822260 /nfs/dbraw/zinc/82/22/60/434822260.db2.gz IFIUVNRINHXGCE-SJLPKXTDSA-N 1 0 316.445 3.027 10 0 DGAERO COC1([C@H](C)Nc2cc(C)cc(C[NH+](C)C)c2)CCOCC1 ZINC000453182547 434823982 /nfs/dbraw/zinc/82/39/82/434823982.db2.gz MTHPWNOGLNOHGE-HNNXBMFYSA-N 1 0 306.450 3.053 10 0 DGAERO CC[N@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCOC1 ZINC000361238566 434839304 /nfs/dbraw/zinc/83/93/04/434839304.db2.gz UUZXTKJZJSWUOA-NSHDSACASA-N 1 0 302.187 3.199 10 0 DGAERO O=C(C1CCSCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000372624992 434843712 /nfs/dbraw/zinc/84/37/12/434843712.db2.gz KYYQLHWKAIHPJF-MRXNPFEDSA-N 1 0 324.534 3.244 10 0 DGAERO C[C@H](CCCO)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453281157 434847851 /nfs/dbraw/zinc/84/78/51/434847851.db2.gz RXOUFPVBIMBTMG-RISCZKNCSA-N 1 0 316.367 3.476 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000553548620 434895724 /nfs/dbraw/zinc/89/57/24/434895724.db2.gz HUGFNNCUKVNJGG-UHFFFAOYSA-N 1 0 322.518 3.486 10 0 DGAERO Cc1cccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000573536760 434905473 /nfs/dbraw/zinc/90/54/73/434905473.db2.gz MIQAJZFNHZXWFG-OAHLLOKOSA-N 1 0 304.434 3.334 10 0 DGAERO c1c(CC[NH2+]C2CC(OCc3ccccc3)C2)nc2ccccn12 ZINC000492048663 434905899 /nfs/dbraw/zinc/90/58/99/434905899.db2.gz QJBZXGYKZOPIFT-UHFFFAOYSA-N 1 0 321.424 3.214 10 0 DGAERO CC(C)c1ccc(/C=C/CC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000492096760 434914301 /nfs/dbraw/zinc/91/43/01/434914301.db2.gz YOVFGJQULWNVHX-SNAWJCMRSA-N 1 0 300.446 3.424 10 0 DGAERO C=Cc1ccc(CCNC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000461111970 434872217 /nfs/dbraw/zinc/87/22/17/434872217.db2.gz VBGIISIQNSHHIS-MRXNPFEDSA-N 1 0 315.461 3.046 10 0 DGAERO O[C@@H]1CC[N@H+](Cc2cccc(N[C@H]3CC[C@H]3C3CCC3)c2)C1 ZINC000462878345 434935210 /nfs/dbraw/zinc/93/52/10/434935210.db2.gz RDAWBCNRGLOCDA-QYZOEREBSA-N 1 0 300.446 3.244 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000523471520 434950395 /nfs/dbraw/zinc/95/03/95/434950395.db2.gz OTZXWHSFVFVHQL-QGZVFWFLSA-N 1 0 317.477 3.274 10 0 DGAERO CC[NH+]1CCC(N(C)C(=O)CC/C=C\c2ccccc2)CC1 ZINC000524112284 434969985 /nfs/dbraw/zinc/96/99/85/434969985.db2.gz SUBRIMFMTDZOMD-XFFZJAGNSA-N 1 0 300.446 3.423 10 0 DGAERO CCC(O)(CC)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462791113 434929394 /nfs/dbraw/zinc/92/93/94/434929394.db2.gz QERWUJYNTTZYBP-UHFFFAOYSA-N 1 0 307.434 3.283 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000465441051 435028305 /nfs/dbraw/zinc/02/83/05/435028305.db2.gz RGYDNSQCMDZDMT-ZMSDIMECSA-N 1 0 309.498 3.232 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](CCSc2ccc(C)c(C)c2)C1 ZINC000464741729 434996112 /nfs/dbraw/zinc/99/61/12/434996112.db2.gz PUSMCPBJMCXCPJ-HNNXBMFYSA-N 1 0 307.459 3.281 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)c1ccc(OC)cc1 ZINC000525092233 435004030 /nfs/dbraw/zinc/00/40/30/435004030.db2.gz VQGGQVRYBOGXTE-MAUKXSAKSA-N 1 0 318.461 3.179 10 0 DGAERO [NH3+][C@@H](CF)c1cc(Br)cc(OC(F)(F)F)c1 ZINC000575188657 435006142 /nfs/dbraw/zinc/00/61/42/435006142.db2.gz GSDMTSGLWKJBRL-QMMMGPOBSA-N 1 0 302.065 3.317 10 0 DGAERO CN(CC1CC1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466076721 435059445 /nfs/dbraw/zinc/05/94/45/435059445.db2.gz JCUVNIVKCAYISN-HOCLYGCPSA-N 1 0 321.490 3.182 10 0 DGAERO c1ccc(COCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000466344051 435072410 /nfs/dbraw/zinc/07/24/10/435072410.db2.gz SCWYIZATPOYEBB-GBESFXJTSA-N 1 0 303.446 3.388 10 0 DGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1snc(OC)c1Br ZINC000638698245 435072650 /nfs/dbraw/zinc/07/26/50/435072650.db2.gz PAVMBHJDBNTBRI-YUMQZZPRSA-N 1 0 305.241 3.192 10 0 DGAERO CC(C)c1ccc(/C=C\CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000492985094 435085770 /nfs/dbraw/zinc/08/57/70/435085770.db2.gz QCSKYQSGXFMTAZ-PLNGDYQASA-N 1 0 300.446 3.424 10 0 DGAERO c1csc(-c2noc(CN3CCC[C@]4(CCCOC4)C3)n2)c1 ZINC000531342679 435086583 /nfs/dbraw/zinc/08/65/83/435086583.db2.gz UGQYABIHCBYNJJ-INIZCTEOSA-N 1 0 319.430 3.191 10 0 DGAERO C[C@H]1CCC[N@H+](CCNC(=O)N2CCC3(C2)CCCCC3)C1 ZINC000465541328 435034529 /nfs/dbraw/zinc/03/45/29/435034529.db2.gz MHTASTQSNFPPPS-INIZCTEOSA-N 1 0 307.482 3.084 10 0 DGAERO CC[C@H]1CCCC[C@H]1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000465667283 435037607 /nfs/dbraw/zinc/03/76/07/435037607.db2.gz WOFRONXYTPMIFP-DLBZAZTESA-N 1 0 309.498 3.376 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000465844673 435047054 /nfs/dbraw/zinc/04/70/54/435047054.db2.gz SSTHHFRNYAKXMQ-JYJNAYRXSA-N 1 0 321.465 3.493 10 0 DGAERO CCCC[N@H+](C)CCNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000465926258 435051957 /nfs/dbraw/zinc/05/19/57/435051957.db2.gz PHFLQIBOFURRLH-HZPDHXFCSA-N 1 0 321.465 3.494 10 0 DGAERO Cc1cc(CNC2=[NH+]CCCN2)ccc1Oc1ccc(F)cc1 ZINC000560093680 435149460 /nfs/dbraw/zinc/14/94/60/435149460.db2.gz OPWLDYBTWIHALE-UHFFFAOYSA-N 1 0 313.376 3.365 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000531764954 435115945 /nfs/dbraw/zinc/11/59/45/435115945.db2.gz HUBHKRQYLFKAPD-SFHVURJKSA-N 1 0 314.473 3.188 10 0 DGAERO c1ccc(C2([NH2+]CCCN3CCOCC3)CCCCC2)cc1 ZINC000532723122 435190372 /nfs/dbraw/zinc/19/03/72/435190372.db2.gz HSSHGDSWIOYCRF-UHFFFAOYSA-N 1 0 302.462 3.158 10 0 DGAERO COCC(C)(C)C[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000494100677 435193039 /nfs/dbraw/zinc/19/30/39/435193039.db2.gz YOXQJBYQTSTFSC-GDBMZVCRSA-N 1 0 310.507 3.393 10 0 DGAERO CC(C)[C@H](C)N(Cc1c(Br)cnn1C)C1CC1 ZINC000494408087 435196158 /nfs/dbraw/zinc/19/61/58/435196158.db2.gz WCVRBXKFJXNUCA-JTQLQIEISA-N 1 0 300.244 3.192 10 0 DGAERO CC[C@H](C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1)c1ccccc1 ZINC000475633764 435206386 /nfs/dbraw/zinc/20/63/86/435206386.db2.gz YHAUHZYRJPRMAW-APWZRJJASA-N 1 0 303.446 3.450 10 0 DGAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000532379060 435162453 /nfs/dbraw/zinc/16/24/53/435162453.db2.gz SXAQCQXTCMPKDR-INIZCTEOSA-N 1 0 304.434 3.068 10 0 DGAERO c1ccc2c(c1)CC[C@@H]2[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000532459105 435167974 /nfs/dbraw/zinc/16/79/74/435167974.db2.gz FKEYYTPYWCUJPQ-IBGZPJMESA-N 1 0 314.473 3.299 10 0 DGAERO CCN(C(=O)N[C@H](C)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475009344 435169581 /nfs/dbraw/zinc/16/95/81/435169581.db2.gz XZFFUSJJMZUNOW-QAPCUYQASA-N 1 0 315.461 3.091 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1CCO[C@H](C)C1 ZINC000533122975 435212586 /nfs/dbraw/zinc/21/25/86/435212586.db2.gz FCRMDANGSRYGNI-QKXCFHHRSA-N 1 0 308.853 3.054 10 0 DGAERO CN(c1ccccc1)c1ccc(C[N@H+](C)C2CCOCC2)cn1 ZINC000580396637 435228196 /nfs/dbraw/zinc/22/81/96/435228196.db2.gz XBTKNERAXLISIF-UHFFFAOYSA-N 1 0 311.429 3.460 10 0 DGAERO CC1CC[NH+](CCN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC000533483719 435241562 /nfs/dbraw/zinc/24/15/62/435241562.db2.gz GPHWHTHZQDHGEH-KRWDZBQOSA-N 1 0 324.509 3.162 10 0 DGAERO c1cnc2nc([C@@H]3CC[N@@H+](CCc4ccncc4)C3)ccc2c1 ZINC000583650803 435244503 /nfs/dbraw/zinc/24/45/03/435244503.db2.gz BJHKVFWSIMFBIW-QGZVFWFLSA-N 1 0 304.397 3.057 10 0 DGAERO C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000477849850 435282326 /nfs/dbraw/zinc/28/23/26/435282326.db2.gz BMGATEUWTZRQHM-ACJLOTCBSA-N 1 0 305.418 3.397 10 0 DGAERO CC[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000479467485 435333755 /nfs/dbraw/zinc/33/37/55/435333755.db2.gz PIOABMOQEDBKBF-PKOBYXMFSA-N 1 0 302.462 3.308 10 0 DGAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000643590020 435352547 /nfs/dbraw/zinc/35/25/47/435352547.db2.gz PJZGNFLRJUHWJG-OIBJUYFYSA-N 1 0 312.797 3.256 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)COCC1CC1 ZINC000513025142 435374843 /nfs/dbraw/zinc/37/48/43/435374843.db2.gz APDWZGQQSLSMJM-MSGBMKDASA-N 1 0 309.837 3.120 10 0 DGAERO c1nc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)sc1-c1ccccc1 ZINC000536413863 435381633 /nfs/dbraw/zinc/38/16/33/435381633.db2.gz YHPIMXDCLPTIBR-CQSZACIVSA-N 1 0 310.426 3.180 10 0 DGAERO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480708069 435391236 /nfs/dbraw/zinc/39/12/36/435391236.db2.gz RNTUAXHCGFOAOD-AEFFLSMTSA-N 1 0 317.477 3.367 10 0 DGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480766550 435393021 /nfs/dbraw/zinc/39/30/21/435393021.db2.gz RNKJCWPICIQANC-ROUUACIJSA-N 1 0 317.477 3.223 10 0 DGAERO Cc1cc(C)cc(-c2ccc(C[N@@H+]3CC[C@H](NC(N)=O)C3)cc2)c1 ZINC000537693091 435463608 /nfs/dbraw/zinc/46/36/08/435463608.db2.gz PPJSXRTYPVWUCE-IBGZPJMESA-N 1 0 323.440 3.213 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000644624050 435472019 /nfs/dbraw/zinc/47/20/19/435472019.db2.gz CQLPBYMDHJSHFR-QGZVFWFLSA-N 1 0 305.462 3.370 10 0 DGAERO c1ccc2c(c1)O[C@@H](C[NH2+][C@H]1CCCC13CCOCC3)CS2 ZINC000515383261 435481296 /nfs/dbraw/zinc/48/12/96/435481296.db2.gz ZMGLOYJVJFZQJP-YOEHRIQHSA-N 1 0 319.470 3.479 10 0 DGAERO COC[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccc(F)cc1 ZINC000537177520 435427348 /nfs/dbraw/zinc/42/73/48/435427348.db2.gz IXRJOSRGRKFXRO-QGZVFWFLSA-N 1 0 307.340 3.321 10 0 DGAERO c1c2ccccc2sc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000569104616 435504240 /nfs/dbraw/zinc/50/42/40/435504240.db2.gz KALQSKJRUGUBCY-AWEZNQCLSA-N 1 0 310.426 3.378 10 0 DGAERO CCC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000483285797 435508062 /nfs/dbraw/zinc/50/80/62/435508062.db2.gz ZJXHUVXJSIQQLE-JKSUJKDBSA-N 1 0 322.497 3.449 10 0 DGAERO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000538730461 435516998 /nfs/dbraw/zinc/51/69/98/435516998.db2.gz NBUCLFXDVFCCEG-FLXZHSAZSA-N 1 0 312.457 3.424 10 0 DGAERO COC1(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)CCCCC1 ZINC000483439046 435520188 /nfs/dbraw/zinc/52/01/88/435520188.db2.gz LUCJLCRDKCQIOP-SFHVURJKSA-N 1 0 319.445 3.116 10 0 DGAERO Cc1[nH+]c2cc(NCc3ccc(-c4cc[nH]n4)o3)ccc2n1C ZINC000569307072 435520440 /nfs/dbraw/zinc/52/04/40/435520440.db2.gz CMRVWWASIDZVDZ-UHFFFAOYSA-N 1 0 307.357 3.477 10 0 DGAERO CCCOc1ccc(CN2CCC[C@H]2C(=O)OC(C)C)cc1 ZINC000539821991 435570664 /nfs/dbraw/zinc/57/06/64/435570664.db2.gz VUEBRRRCGPZBSM-KRWDZBQOSA-N 1 0 305.418 3.391 10 0 DGAERO CCOc1ccc([C@H](C)[NH2+]CCc2cccc(OC)n2)cc1 ZINC000484296565 435542787 /nfs/dbraw/zinc/54/27/87/435542787.db2.gz QTWAHNPONUOOBM-AWEZNQCLSA-N 1 0 300.402 3.382 10 0 DGAERO C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000540824582 435619792 /nfs/dbraw/zinc/61/97/92/435619792.db2.gz FGLQLQXSIOCHDM-HNNXBMFYSA-N 1 0 305.422 3.118 10 0 DGAERO O=C(c1c(Cl)cccc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517555560 435599624 /nfs/dbraw/zinc/59/96/24/435599624.db2.gz JHCSVYOMULXWMJ-OAHLLOKOSA-N 1 0 313.228 3.209 10 0 DGAERO CC(C)(O)C[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1 ZINC000540522313 435606505 /nfs/dbraw/zinc/60/65/05/435606505.db2.gz UFLDIHLIHFROAI-UHFFFAOYSA-N 1 0 317.404 3.478 10 0 DGAERO C[C@H]1CCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000488526490 435640854 /nfs/dbraw/zinc/64/08/54/435640854.db2.gz XLSXNACRIOKDGL-NSHDSACASA-N 1 0 321.421 3.496 10 0 DGAERO C[C@H](NC(=O)CSC(C)(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187194820 299062457 /nfs/dbraw/zinc/06/24/57/299062457.db2.gz FXUQIWDUJYGMSM-BBRMVZONSA-N 1 0 308.491 3.326 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C3(c4ccccc4)CCOCC3)o2)n[nH]1 ZINC000570759972 435648425 /nfs/dbraw/zinc/64/84/25/435648425.db2.gz UTMBGDQEZIUPML-UHFFFAOYSA-N 1 0 323.396 3.465 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000262388770 300396835 /nfs/dbraw/zinc/39/68/35/300396835.db2.gz PDAINUFMKZGCRN-QOKNQOGYSA-N 1 0 312.457 3.443 10 0 DGAERO C[N@H+](CCC(=O)NC[C@](C)(O)C1CCCCC1)C1CCCCC1 ZINC000548719317 435710812 /nfs/dbraw/zinc/71/08/12/435710812.db2.gz AOKDKUNFIDYZRO-IBGZPJMESA-N 1 0 324.509 3.089 10 0 DGAERO O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491276268 435723611 /nfs/dbraw/zinc/72/36/11/435723611.db2.gz DBIMQZXIKHMTNW-LSDHHAIUSA-N 1 0 313.363 3.341 10 0 DGAERO O=C(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)Nc1ccccc1Br ZINC000646091144 435776468 /nfs/dbraw/zinc/77/64/68/435776468.db2.gz FPTIPAQOPYFHCA-DMDPSCGWSA-N 1 0 323.234 3.166 10 0 DGAERO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)n2)cc1 ZINC000551724849 435847340 /nfs/dbraw/zinc/84/73/40/435847340.db2.gz WQAMLUBYLNTFIE-JKSUJKDBSA-N 1 0 313.401 3.188 10 0 DGAERO c1cc2cccc(C[N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)c2[nH]1 ZINC000551927947 435861330 /nfs/dbraw/zinc/86/13/30/435861330.db2.gz RSJPHCQRJPAUFE-HNNXBMFYSA-N 1 0 308.385 3.418 10 0 DGAERO c1cc([C@H]2CCCC[N@H+]2CCN2CCCc3ccccc32)n[nH]1 ZINC000552092288 435882358 /nfs/dbraw/zinc/88/23/58/435882358.db2.gz NDWYQYZSICUFOP-LJQANCHMSA-N 1 0 310.445 3.390 10 0 DGAERO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Cl)cc(Cl)c1 ZINC000552576519 435906087 /nfs/dbraw/zinc/90/60/87/435906087.db2.gz ZUAWHEOPQSBRLC-IUCAKERBSA-N 1 0 310.246 3.077 10 0 DGAERO Brc1cccnc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656609137 435982916 /nfs/dbraw/zinc/98/29/16/435982916.db2.gz PRFBIPOEXGGRTA-CYBMUJFWSA-N 1 0 324.266 3.060 10 0 DGAERO [NH3+]C1CCC(C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000647921174 436150827 /nfs/dbraw/zinc/15/08/27/436150827.db2.gz BLMNZOQMEBECMR-UHFFFAOYSA-N 1 0 301.217 3.127 10 0 DGAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000183562983 301021761 /nfs/dbraw/zinc/02/17/61/301021761.db2.gz RWVZUCGFPQUFML-AAEUAGOBSA-N 1 0 309.431 3.073 10 0 DGAERO Cc1cc(C)c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)c1 ZINC000246536434 301189369 /nfs/dbraw/zinc/18/93/69/301189369.db2.gz VGDCTHRCWDZBQD-CVEARBPZSA-N 1 0 303.450 3.462 10 0 DGAERO CCCc1nccnc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663858462 436519745 /nfs/dbraw/zinc/51/97/45/436519745.db2.gz QEBYBAZNRMVOFH-KRWDZBQOSA-N 1 0 310.445 3.363 10 0 DGAERO Cc1ccccc1[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)C ZINC000175754709 302132095 /nfs/dbraw/zinc/13/20/95/302132095.db2.gz KOIIIDNJZZMUKM-NVXWUHKLSA-N 1 0 317.477 3.428 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]CCNC(=O)C(C)C)c1ccccc1 ZINC000176548643 302135971 /nfs/dbraw/zinc/13/59/71/302135971.db2.gz QTWIFSCZDOCNIO-IBGZPJMESA-N 1 0 310.441 3.446 10 0 DGAERO OCC[C@]1(C[NH2+][C@H](c2cccs2)C2CCCC2)CCOC1 ZINC000091737773 304827713 /nfs/dbraw/zinc/82/77/13/304827713.db2.gz RUUDFNMQBVCKNV-DLBZAZTESA-N 1 0 309.475 3.358 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000170788668 312701999 /nfs/dbraw/zinc/70/19/99/312701999.db2.gz WQMOXQOCAYBZEL-SJORKVTESA-N 1 0 310.482 3.059 10 0 DGAERO CC(C)CCn1cccc1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000172629454 312751931 /nfs/dbraw/zinc/75/19/31/312751931.db2.gz XNYHTJPLNSFCJY-UHFFFAOYSA-N 1 0 323.444 3.405 10 0 DGAERO CCCCCc1nnc(NC(=O)C[NH2+][C@H](C)C(C)(C)C)s1 ZINC000177999782 312785188 /nfs/dbraw/zinc/78/51/88/312785188.db2.gz UIUPJXXXNVCXOJ-LLVKDONJSA-N 1 0 312.483 3.234 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1 ZINC000178118281 312786502 /nfs/dbraw/zinc/78/65/02/312786502.db2.gz FWEZEUKOCKLTNJ-RDTXWAMCSA-N 1 0 301.434 3.238 10 0 DGAERO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)C(C)C)c(OC)c1 ZINC000178579010 312790909 /nfs/dbraw/zinc/79/09/09/312790909.db2.gz ZZVZPAKXQLNCHK-KBPBESRZSA-N 1 0 322.449 3.303 10 0 DGAERO Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000377221712 313029516 /nfs/dbraw/zinc/02/95/16/313029516.db2.gz KCJRHKQVLWLGSL-SJORKVTESA-N 1 0 319.836 3.334 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC000530216916 313341705 /nfs/dbraw/zinc/34/17/05/313341705.db2.gz DIGJOYDVGKGRKK-GJZGRUSLSA-N 1 0 321.262 3.311 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000530365772 313361603 /nfs/dbraw/zinc/36/16/03/313361603.db2.gz PVVWPZLNUQTEJU-AAEUAGOBSA-N 1 0 312.816 3.388 10 0 DGAERO CCc1cccc(C(=O)N2CCC(C[NH+](CC)CC)CC2)c1O ZINC000531195816 313440139 /nfs/dbraw/zinc/44/01/39/313440139.db2.gz GHSWPSZKJVIVSU-UHFFFAOYSA-N 1 0 318.461 3.149 10 0 DGAERO OCCC1([NH2+]Cc2cnc(-c3ccccc3)nc2)CCCCC1 ZINC000531429868 313460497 /nfs/dbraw/zinc/46/04/97/313460497.db2.gz BBJNDSPZEWKXBE-UHFFFAOYSA-N 1 0 311.429 3.319 10 0 DGAERO CC[C@H]([NH2+]CCCc1ccc(OC)c(OC)c1)C1CCOCC1 ZINC000531956245 313505291 /nfs/dbraw/zinc/50/52/91/313505291.db2.gz MQMQGYVIGYTBSV-KRWDZBQOSA-N 1 0 321.461 3.431 10 0 DGAERO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000531990159 313509373 /nfs/dbraw/zinc/50/93/73/313509373.db2.gz DBRLMZZNVRDWPC-CRAIPNDOSA-N 1 0 324.424 3.460 10 0 DGAERO CC(C)CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)C(C)(C)C ZINC000537289183 313806138 /nfs/dbraw/zinc/80/61/38/313806138.db2.gz CIENQTSWWPUWEZ-OAHLLOKOSA-N 1 0 303.512 3.252 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C(C)(C)CCCc1ccccc1 ZINC000538315310 313856291 /nfs/dbraw/zinc/85/62/91/313856291.db2.gz WQTDRYVLFDZEMQ-UHFFFAOYSA-N 1 0 304.478 3.446 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000538315072 313856431 /nfs/dbraw/zinc/85/64/31/313856431.db2.gz GDQMLXREONBSOH-UHFFFAOYSA-N 1 0 321.808 3.019 10 0 DGAERO c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000540153049 313949597 /nfs/dbraw/zinc/94/95/97/313949597.db2.gz CTKGSHUBSIZTJJ-XWSJACJDSA-N 1 0 301.430 3.250 10 0 DGAERO COC(=O)[C@@H](C1CC1)[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000541058177 313993653 /nfs/dbraw/zinc/99/36/53/313993653.db2.gz AZESSMASFLDZCB-QGZVFWFLSA-N 1 0 305.393 3.032 10 0 DGAERO CC(C)[NH+](CCCNC(=O)N(C)C[C@@H]1CC=CCC1)C(C)C ZINC000541345061 314010883 /nfs/dbraw/zinc/01/08/83/314010883.db2.gz VMDYREYRCSIHLF-QGZVFWFLSA-N 1 0 309.498 3.493 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000542425786 314075410 /nfs/dbraw/zinc/07/54/10/314075410.db2.gz AIWPTSUVLKBZAK-SJORKVTESA-N 1 0 304.478 3.456 10 0 DGAERO Cc1ccc(-c2noc(C[NH2+][C@H](CO)C3CCCCC3)n2)cc1 ZINC000542913209 314105889 /nfs/dbraw/zinc/10/58/89/314105889.db2.gz HPQUMXPRRPLATP-MRXNPFEDSA-N 1 0 315.417 3.076 10 0 DGAERO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCCC1CC1 ZINC000543423020 314133065 /nfs/dbraw/zinc/13/30/65/314133065.db2.gz QWYMRYPVQPUIMA-IBGZPJMESA-N 1 0 302.462 3.148 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000544254662 314182567 /nfs/dbraw/zinc/18/25/67/314182567.db2.gz YYTDVNHWOHDPTI-CQSZACIVSA-N 1 0 307.482 3.293 10 0 DGAERO C[C@H](CCNC(=O)N(C)C[C@@H]1CC=CCC1)[NH+]1CCCCC1 ZINC000544330957 314186114 /nfs/dbraw/zinc/18/61/14/314186114.db2.gz UNGHZDCSFUQYJS-IAGOWNOFSA-N 1 0 307.482 3.249 10 0 DGAERO CC[C@H](CCO)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000544568260 314199250 /nfs/dbraw/zinc/19/92/50/314199250.db2.gz DJLURVHKKKLXIO-CXAGYDPISA-N 1 0 321.852 3.161 10 0 DGAERO CC[C@@H](CCO)C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000544568262 314199274 /nfs/dbraw/zinc/19/92/74/314199274.db2.gz DJLURVHKKKLXIO-GUYCJALGSA-N 1 0 321.852 3.161 10 0 DGAERO CCC[C@@H](CCc1ccccc1)NC(=O)N(C)CCC[NH+](C)C ZINC000544655355 314204449 /nfs/dbraw/zinc/20/44/49/314204449.db2.gz LCHIFYYXIPPLPH-SFHVURJKSA-N 1 0 319.493 3.381 10 0 DGAERO C[C@H](c1noc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1)C1CC1 ZINC000545107411 314226707 /nfs/dbraw/zinc/22/67/07/314226707.db2.gz VLQZRDNPSHKPGB-XJKSGUPXSA-N 1 0 312.417 3.358 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc2c1OCO2 ZINC000545199375 314232257 /nfs/dbraw/zinc/23/22/57/314232257.db2.gz YSUWFZVROCJOCN-IXDOHACOSA-N 1 0 317.429 3.143 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000547363793 314360610 /nfs/dbraw/zinc/36/06/10/314360610.db2.gz IMGSERWRAFIHKU-MGPUTAFESA-N 1 0 310.441 3.403 10 0 DGAERO c1c2cccnc2oc1C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000556145435 314745302 /nfs/dbraw/zinc/74/53/02/314745302.db2.gz FXKFGFGCTJNAAD-UHFFFAOYSA-N 1 0 313.426 3.495 10 0 DGAERO C[C@@H](CCC1CCCC1)[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000556919709 314788404 /nfs/dbraw/zinc/78/84/04/314788404.db2.gz BVJKLNJVZKXFGE-DZGCQCFKSA-N 1 0 322.415 3.198 10 0 DGAERO Cc1cc(CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)no1 ZINC000560126789 314902974 /nfs/dbraw/zinc/90/29/74/314902974.db2.gz HUKHBAUBECBYOY-HNNXBMFYSA-N 1 0 313.445 3.168 10 0 DGAERO COc1cccc2c1CCC[C@H]2[NH2+]CCN1CC=C(C)CC1 ZINC000562463396 315021894 /nfs/dbraw/zinc/02/18/94/315021894.db2.gz CVIORNKRLRJCAO-GOSISDBHSA-N 1 0 300.446 3.314 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cncc(Br)c1 ZINC000563550337 315123601 /nfs/dbraw/zinc/12/36/01/315123601.db2.gz PTAGDIFDXFRMDL-COPLHBTASA-N 1 0 313.239 3.046 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)cc1 ZINC000564550877 315182247 /nfs/dbraw/zinc/18/22/47/315182247.db2.gz IGRMZUWPTYNXPD-OAHLLOKOSA-N 1 0 309.413 3.372 10 0 DGAERO c1cc(C[NH2+][C@H]2CCCC23CC3)cc(OC2CCOCC2)n1 ZINC000565244321 315247158 /nfs/dbraw/zinc/24/71/58/315247158.db2.gz QPBPEFFEGPSOEN-INIZCTEOSA-N 1 0 302.418 3.062 10 0 DGAERO c1ccc([C@@H]2CCCC[C@H]([NH2+]CCN3CCCOCC3)C2)cc1 ZINC000565390706 315257949 /nfs/dbraw/zinc/25/79/49/315257949.db2.gz NTYNAAXIDSBPSH-UXHICEINSA-N 1 0 316.489 3.415 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000565658517 315277839 /nfs/dbraw/zinc/27/78/39/315277839.db2.gz PKGBWQWFBBDAEK-QZTJIDSGSA-N 1 0 310.445 3.183 10 0 DGAERO Cc1nn2c(C[NH2+]CCOCC3CCC3)c(C(C)C)nc2s1 ZINC000566771441 315372635 /nfs/dbraw/zinc/37/26/35/315372635.db2.gz RQMGVPABDGINNB-UHFFFAOYSA-N 1 0 322.478 3.129 10 0 DGAERO c1ccc(COc2ccc(CN3C[C@@H]4C[C@H]3CS4)cn2)cc1 ZINC000567121931 315398187 /nfs/dbraw/zinc/39/81/87/315398187.db2.gz VUSBRWWBPCWLMS-IRXDYDNUSA-N 1 0 312.438 3.350 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000567663769 315438986 /nfs/dbraw/zinc/43/89/86/315438986.db2.gz GCISXQCNBKROHK-UWVGGRQHSA-N 1 0 301.217 3.127 10 0 DGAERO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCOCC1CCC1 ZINC000572471662 315794842 /nfs/dbraw/zinc/79/48/42/315794842.db2.gz KTHOJIINBXRPJK-OAHLLOKOSA-N 1 0 304.434 3.118 10 0 DGAERO c1csc([C@H](C[NH2+][C@@H]2CCCC23CC3)N2CCOCC2)c1 ZINC000573743056 315896019 /nfs/dbraw/zinc/89/60/19/315896019.db2.gz FACHHUWVKUGANR-GOEBONIOSA-N 1 0 306.475 3.044 10 0 DGAERO C[C@H]([NH2+]CCOC(C)(C)C)c1cncc(Br)c1 ZINC000574465343 315969837 /nfs/dbraw/zinc/96/98/37/315969837.db2.gz KVPQRYKDHLGIMI-JTQLQIEISA-N 1 0 301.228 3.310 10 0 DGAERO c1ccc(-c2nc(CN3CCC[C@@H]3c3cccnc3)no2)cc1 ZINC000577238794 316216484 /nfs/dbraw/zinc/21/64/84/316216484.db2.gz OTVYPXREJIWWNF-MRXNPFEDSA-N 1 0 306.369 3.469 10 0 DGAERO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000577732694 316264995 /nfs/dbraw/zinc/26/49/95/316264995.db2.gz MUBMTOAKYWSIPV-AEJSXWLSSA-N 1 0 319.232 3.003 10 0 DGAERO C[C@@H](CCCc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000180051462 323220855 /nfs/dbraw/zinc/22/08/55/323220855.db2.gz RESIMSDHILKJFC-PKOBYXMFSA-N 1 0 314.473 3.342 10 0 DGAERO Cc1ccc(CC[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000180938368 323241260 /nfs/dbraw/zinc/24/12/60/323241260.db2.gz JZGRDIKENMLXNZ-MRXNPFEDSA-N 1 0 306.413 3.469 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(Cl)c2F)CC[N@@H+]1C ZINC000181233200 323249716 /nfs/dbraw/zinc/24/97/16/323249716.db2.gz JHZCCFARLZBSHV-UWVGGRQHSA-N 1 0 316.779 3.173 10 0 DGAERO CC(C)COC[C@@H](O)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000181600224 323261243 /nfs/dbraw/zinc/26/12/43/323261243.db2.gz WLIIMSRNEKCALD-WMLDXEAASA-N 1 0 315.404 3.285 10 0 DGAERO CCC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc(F)cc1F ZINC000181675191 323264170 /nfs/dbraw/zinc/26/41/70/323264170.db2.gz WZSXKUOGQNWEOL-NHYWBVRUSA-N 1 0 319.417 3.076 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000181819221 323271022 /nfs/dbraw/zinc/27/10/22/323271022.db2.gz XEWGSYPVSDFQCN-VHSSKADRSA-N 1 0 321.509 3.397 10 0 DGAERO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)Cc1ccccc1 ZINC000182059346 323281933 /nfs/dbraw/zinc/28/19/33/323281933.db2.gz PEJBBWAFTWPKIL-XLIONFOSSA-N 1 0 324.468 3.154 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)Cc1ccccc1 ZINC000182056701 323282142 /nfs/dbraw/zinc/28/21/42/323282142.db2.gz WQNSNCOYRLIKBX-GOSISDBHSA-N 1 0 324.468 3.492 10 0 DGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)CCCC(C)C)C2=O)n(C)n1 ZINC000182337011 323294487 /nfs/dbraw/zinc/29/44/87/323294487.db2.gz MCLNOEXUPOPNNS-GDBMZVCRSA-N 1 0 320.481 3.028 10 0 DGAERO CC(C)OCCCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000182647538 323307197 /nfs/dbraw/zinc/30/71/97/323307197.db2.gz LIBDIONFXKSOSF-UHFFFAOYSA-N 1 0 304.434 3.426 10 0 DGAERO C[C@H](CCNC(=O)N(C)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000182677348 323308053 /nfs/dbraw/zinc/30/80/53/323308053.db2.gz YNMHWLXOTDJMFK-OAHLLOKOSA-N 1 0 321.440 3.232 10 0 DGAERO CC(C)[NH+]1CCN(C(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000182953196 323317553 /nfs/dbraw/zinc/31/75/53/323317553.db2.gz SOFZPRNHRLDYRO-UHFFFAOYSA-N 1 0 320.399 3.298 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000183343393 323334720 /nfs/dbraw/zinc/33/47/20/323334720.db2.gz CSYARKAUTCEJSL-GJZGRUSLSA-N 1 0 312.413 3.416 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)cc1F ZINC000183474988 323339051 /nfs/dbraw/zinc/33/90/51/323339051.db2.gz KYXRGFZYXHQVAB-LBPRGKRZSA-N 1 0 319.424 3.468 10 0 DGAERO COc1cccc([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c1 ZINC000183489334 323339860 /nfs/dbraw/zinc/33/98/60/323339860.db2.gz HHIISBRFZGSROX-ZDUSSCGKSA-N 1 0 301.434 3.329 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)c1 ZINC000183492428 323339910 /nfs/dbraw/zinc/33/99/10/323339910.db2.gz KEZDQKBOKZPOOJ-MJGOQNOKSA-N 1 0 308.425 3.319 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000183491040 323339971 /nfs/dbraw/zinc/33/99/71/323339971.db2.gz HDUQRFZFULXTTM-AWEZNQCLSA-N 1 0 314.477 3.386 10 0 DGAERO Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)COc2ccc(C)cc2)s1 ZINC000183962043 323351532 /nfs/dbraw/zinc/35/15/32/323351532.db2.gz DLJDXSZJHJFYCI-CQSZACIVSA-N 1 0 320.458 3.025 10 0 DGAERO Cc1cc(F)ccc1-c1ccc(C[NH2+]CCCn2ccnn2)o1 ZINC000184247707 323360441 /nfs/dbraw/zinc/36/04/41/323360441.db2.gz SZLWJYGMHKEACY-UHFFFAOYSA-N 1 0 314.364 3.166 10 0 DGAERO CC[C@H]([NH2+]C[C@H](O)COc1ccc(C)cc1)c1nc(C)cs1 ZINC000184401148 323364603 /nfs/dbraw/zinc/36/46/03/323364603.db2.gz BBASBHATSYUUGT-HOCLYGCPSA-N 1 0 320.458 3.241 10 0 DGAERO CC1(C)CCCC[C@@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184947753 323377442 /nfs/dbraw/zinc/37/74/42/323377442.db2.gz DADXTUPRPPQWNX-INIZCTEOSA-N 1 0 321.440 3.116 10 0 DGAERO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1nccs1 ZINC000185121945 323381696 /nfs/dbraw/zinc/38/16/96/323381696.db2.gz DEVLQEXIIAJRBR-CYBMUJFWSA-N 1 0 307.394 3.352 10 0 DGAERO CC[C@H](NCc1cc(-c2cnn(C)c2C)no1)c1nccs1 ZINC000185435885 323389086 /nfs/dbraw/zinc/38/90/86/323389086.db2.gz AOISEVXXNBTMNW-ZDUSSCGKSA-N 1 0 317.418 3.081 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000187664408 323417789 /nfs/dbraw/zinc/41/77/89/323417789.db2.gz JZJQSXHYRYMXIR-ZDUSSCGKSA-N 1 0 304.365 3.385 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2Br)C1 ZINC000382495829 323622214 /nfs/dbraw/zinc/62/22/14/323622214.db2.gz LLNLEUYYRLLBKI-ZYHUDNBSSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000383268527 323625506 /nfs/dbraw/zinc/62/55/06/323625506.db2.gz MZRQIBSHUCFATE-GFCCVEGCSA-N 1 0 318.408 3.268 10 0 DGAERO C[C@]1(C(=O)NCc2ccc(OCc3ccccc3)cc2)CCC[NH2+]1 ZINC000383758844 323626091 /nfs/dbraw/zinc/62/60/91/323626091.db2.gz FKPGOEUUINMVOG-HXUWFJFHSA-N 1 0 324.424 3.024 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384276051 323628042 /nfs/dbraw/zinc/62/80/42/323628042.db2.gz TUELPLBRMRGODZ-CMPLNLGQSA-N 1 0 311.223 3.084 10 0 DGAERO CC/C=C\C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000384945903 323630454 /nfs/dbraw/zinc/63/04/54/323630454.db2.gz UTAIOIXPPLWPBQ-DLRQAJBASA-N 1 0 304.217 3.289 10 0 DGAERO C[C@H]([NH2+]CCc1ccccc1O)c1ccc(Br)cn1 ZINC000580264435 323976663 /nfs/dbraw/zinc/97/66/63/323976663.db2.gz SUNQSSRQQNWTGY-NSHDSACASA-N 1 0 321.218 3.443 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(Cc4ccc5c(c4)COC5)n3)cc12 ZINC000581111934 324075239 /nfs/dbraw/zinc/07/52/39/324075239.db2.gz VDYJPLFGIFZFPT-UHFFFAOYSA-N 1 0 318.336 3.005 10 0 DGAERO CC(C)[NH2+]CCCNc1ncc(Br)cc1Cl ZINC000581934208 324169658 /nfs/dbraw/zinc/16/96/58/324169658.db2.gz YZSBSVJBYKGPNC-UHFFFAOYSA-N 1 0 306.635 3.298 10 0 DGAERO c1c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)[nH]nc1-c1ccccc1 ZINC000582486091 324236083 /nfs/dbraw/zinc/23/60/83/324236083.db2.gz FFIBVEUYCMFJFH-APWZRJJASA-N 1 0 311.429 3.468 10 0 DGAERO C(C[N@@H+]1CCO[C@@]2(CCSC2)C1)SC1CCCCC1 ZINC000583438387 324354510 /nfs/dbraw/zinc/35/45/10/324354510.db2.gz IATSASZDCWNQOR-HNNXBMFYSA-N 1 0 301.521 3.260 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000584410174 337320878 /nfs/dbraw/zinc/32/08/78/337320878.db2.gz SYRKFLJOPNLMFR-QUCCMNQESA-N 1 0 314.473 3.330 10 0 DGAERO COCCCOc1cc2c(cc1OC)C=N[C@@H](C1CCC1)C2 ZINC000584606489 337371670 /nfs/dbraw/zinc/37/16/70/337371670.db2.gz YBXRSEJRJWASHX-MRXNPFEDSA-N 1 0 303.402 3.254 10 0 DGAERO COc1ccc(CC[NH2+]CCOc2ccccc2C)cc1OC ZINC000584595015 337373924 /nfs/dbraw/zinc/37/39/24/337373924.db2.gz QHGKYASHLWDEML-UHFFFAOYSA-N 1 0 315.413 3.223 10 0 DGAERO CC[NH+](CC)CCOc1ccc([C@](C)(O)c2cccnc2)cc1 ZINC000584633958 337377556 /nfs/dbraw/zinc/37/75/56/337377556.db2.gz TVOWLIAXXCJBJU-IBGZPJMESA-N 1 0 314.429 3.058 10 0 DGAERO CC(C)C1(C)CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000186200362 500606205 /nfs/dbraw/zinc/60/62/05/500606205.db2.gz NBVASJJEHODEEB-UHFFFAOYSA-N 1 0 302.422 3.333 10 0 DGAERO C[C@@H]1CCC[C@@](CNc2ccccc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000301100937 533798354 /nfs/dbraw/zinc/79/83/54/533798354.db2.gz QZNAUEMNURAJTP-RHSMWYFYSA-N 1 0 324.490 3.013 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000184659510 533827280 /nfs/dbraw/zinc/82/72/80/533827280.db2.gz CQKJKXIZTHZDAS-NSHDSACASA-N 1 0 312.360 3.395 10 0 DGAERO COc1cccc2c1CC[C@@H]([NH2+]Cc1nccn1CC(C)C)C2 ZINC000192443475 533861499 /nfs/dbraw/zinc/86/14/99/533861499.db2.gz LJGCMMBPZQYOJC-MRXNPFEDSA-N 1 0 313.445 3.195 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CC[C@@H]2C)cc(Br)c1O ZINC000310158446 533898898 /nfs/dbraw/zinc/89/88/98/533898898.db2.gz HTMAKPHEKVQDGD-GZMMTYOYSA-N 1 0 300.196 3.051 10 0 DGAERO COc1ccc(NC(=O)C[NH2+][C@@H](C)C2CCCC2)cc1Cl ZINC000184669457 534082132 /nfs/dbraw/zinc/08/21/32/534082132.db2.gz DRHIZWSLUVOYIM-NSHDSACASA-N 1 0 310.825 3.455 10 0 DGAERO CC(C)=C(F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000154368689 519390609 /nfs/dbraw/zinc/39/06/09/519390609.db2.gz NORPTEKQJQEBMK-GDBMZVCRSA-N 1 0 304.409 3.419 10 0 DGAERO Cc1ccc2[nH+]ccc(N3CCC(C(=O)N4CCCC4)CC3)c2c1 ZINC000302146834 534520146 /nfs/dbraw/zinc/52/01/46/534520146.db2.gz IGJJKLBJGXOJPO-UHFFFAOYSA-N 1 0 323.440 3.382 10 0 DGAERO CCC(CC)(CC)CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000154732378 521388277 /nfs/dbraw/zinc/38/82/77/521388277.db2.gz KCUVENNUMOMUAZ-UHFFFAOYSA-N 1 0 309.498 3.473 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[C@H]2c2ccccc2)c1 ZINC000156377821 521917638 /nfs/dbraw/zinc/91/76/38/521917638.db2.gz OGXAYCDBPMKBOY-MOPGFXCFSA-N 1 0 308.425 3.282 10 0 DGAERO CC[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1nccs1 ZINC000156680866 522541551 /nfs/dbraw/zinc/54/15/51/522541551.db2.gz JKQLVOPCQGOXFP-AWEZNQCLSA-N 1 0 303.431 3.086 10 0 DGAERO C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@@H]1CCCO1 ZINC000156228692 523216942 /nfs/dbraw/zinc/21/69/42/523216942.db2.gz PAWQWKFABFLFSG-INIZCTEOSA-N 1 0 305.418 3.253 10 0 DGAERO CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccc(F)cc2)n1 ZINC000070456337 523821195 /nfs/dbraw/zinc/82/11/95/523821195.db2.gz FYADDBHLNRGGRI-CYBMUJFWSA-N 1 0 314.408 3.257 10 0 DGAERO CC[C@H](C)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000154595622 523879200 /nfs/dbraw/zinc/87/92/00/523879200.db2.gz VUTUCNLAHIFTEP-HNNXBMFYSA-N 1 0 300.446 3.334 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+]CCN2CCCC[C@@H]2C)cc1 ZINC000156611548 524052523 /nfs/dbraw/zinc/05/25/23/524052523.db2.gz FUGOPIZEFZNQFB-IRXDYDNUSA-N 1 0 320.477 3.237 10 0 DGAERO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000154411427 525106486 /nfs/dbraw/zinc/10/64/86/525106486.db2.gz FJSCVNXMJFKJHS-HUBLWGQQSA-N 1 0 321.852 3.325 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC(=O)Nc1ccccc1 ZINC000193112557 525538611 /nfs/dbraw/zinc/53/86/11/525538611.db2.gz ZGVHIJAMWYNSIE-RYUDHWBXSA-N 1 0 317.414 3.136 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158466599 525944768 /nfs/dbraw/zinc/94/47/68/525944768.db2.gz BOUCAWCDWTVHJQ-UKRRQHHQSA-N 1 0 313.445 3.339 10 0 DGAERO C[C@H](CC(=O)N(C)Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000156057790 526220967 /nfs/dbraw/zinc/22/09/67/526220967.db2.gz IIFAANUENMMHDU-HIFRSBDPSA-N 1 0 308.853 3.324 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCOC1)CC2 ZINC000310735646 526644607 /nfs/dbraw/zinc/64/46/07/526644607.db2.gz YTPKRHHXXYTZKX-NHYWBVRUSA-N 1 0 310.235 3.453 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)cc1 ZINC000468554298 536500198 /nfs/dbraw/zinc/50/01/98/536500198.db2.gz NTLUQWXZUXFOFD-CQSZACIVSA-N 1 0 307.434 3.338 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000154839172 527140122 /nfs/dbraw/zinc/14/01/22/527140122.db2.gz BCLDCSTUIXQQDQ-MRXNPFEDSA-N 1 0 324.509 3.352 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000431119936 527367395 /nfs/dbraw/zinc/36/73/95/527367395.db2.gz SLDRFPKJCCRCQU-UEPHZPRCSA-N 1 0 314.429 3.385 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183220139 527467686 /nfs/dbraw/zinc/46/76/86/527467686.db2.gz ONKVRUHAGXCQFF-LBPRGKRZSA-N 1 0 310.388 3.262 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000157784060 527589280 /nfs/dbraw/zinc/58/92/80/527589280.db2.gz FIQZYFQGMSZIEU-ZFWWWQNUSA-N 1 0 322.497 3.148 10 0 DGAERO O=C(NCCCC1CCCCC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154503496 527639171 /nfs/dbraw/zinc/63/91/71/527639171.db2.gz UXLITAHBHYGGDK-GOSISDBHSA-N 1 0 322.493 3.107 10 0 DGAERO CC1(C)SC[C@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000309814635 527822817 /nfs/dbraw/zinc/82/28/17/527822817.db2.gz VAZDOOIBGCGVRG-LLVKDONJSA-N 1 0 302.237 3.138 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C/C=C/c1cccc(F)c1 ZINC000177790935 527894038 /nfs/dbraw/zinc/89/40/38/527894038.db2.gz DBOCVXSSNUWUDR-RYECEPHISA-N 1 0 316.420 3.314 10 0 DGAERO CC1(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCC1 ZINC000176637442 527948287 /nfs/dbraw/zinc/94/82/87/527948287.db2.gz BIBIJOFTDBOLIY-UHFFFAOYSA-N 1 0 315.461 3.094 10 0 DGAERO CCCOc1cccc(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)c1 ZINC000434460673 528750471 /nfs/dbraw/zinc/75/04/71/528750471.db2.gz QKTLRKQKIWTKLC-SFHVURJKSA-N 1 0 318.461 3.009 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@@H](c2cccnc2)C(C)C)CC1 ZINC000435456550 528965237 /nfs/dbraw/zinc/96/52/37/528965237.db2.gz AYVRAFVOOABIFE-GOSISDBHSA-N 1 0 317.477 3.059 10 0 DGAERO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000444663179 529288596 /nfs/dbraw/zinc/28/85/96/529288596.db2.gz KBOMRSBXLWZFSM-UKRRQHHQSA-N 1 0 318.417 3.254 10 0 DGAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)CS1 ZINC000488441325 535084786 /nfs/dbraw/zinc/08/47/86/535084786.db2.gz RXDMUIQXHVJDGK-BMFZPTHFSA-N 1 0 318.486 3.302 10 0 DGAERO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)n1 ZINC000451417253 535126544 /nfs/dbraw/zinc/12/65/44/535126544.db2.gz KXTJYNNYMKOZLM-YJNKXOJESA-N 1 0 307.438 3.099 10 0 DGAERO CCCCc1noc([C@H](C)[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)n1 ZINC000451616052 535128288 /nfs/dbraw/zinc/12/82/88/535128288.db2.gz QUJJJNHBWSYOEG-LZWOXQAQSA-N 1 0 311.470 3.352 10 0 DGAERO CC(C)[C@H](O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451575087 535149938 /nfs/dbraw/zinc/14/99/38/535149938.db2.gz WVQKSNCIZYBUCI-DZGCQCFKSA-N 1 0 312.251 3.255 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](OC)C2)[C@H]1Sc1ccccc1 ZINC000459495742 535515670 /nfs/dbraw/zinc/51/56/70/535515670.db2.gz MVEXDSDBQRRMFG-AGTSVGGPSA-N 1 0 321.486 3.482 10 0 DGAERO CN(C(=O)NCC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000458999608 536025015 /nfs/dbraw/zinc/02/50/15/536025015.db2.gz AYOXOSAJINDKCZ-SJPCQFCGSA-N 1 0 307.482 3.223 10 0 DGAERO COc1ccc(C)cc1C1(C[NH2+]C[C@H]2C[C@H]2C)CCOCC1 ZINC000488402734 536795771 /nfs/dbraw/zinc/79/57/71/536795771.db2.gz CEOGTCOAUPGRTC-HZPDHXFCSA-N 1 0 303.446 3.297 10 0 DGAERO COc1cccc([C@H]2C[C@H]([N@H+](C)C[C@H](O)CC(F)(F)F)C2)c1 ZINC000452018041 536905106 /nfs/dbraw/zinc/90/51/06/536905106.db2.gz NZNJHHCKRSXNGU-MGPQQGTHSA-N 1 0 317.351 3.186 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000076962922 545739902 /nfs/dbraw/zinc/73/99/02/545739902.db2.gz KXXOXGXECSZVMV-RYQLBKOJSA-N 1 0 302.462 3.191 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1c(Cl)ccc(F)c1Cl ZINC000079927324 545761521 /nfs/dbraw/zinc/76/15/21/545761521.db2.gz WPPHMANKBUZCDX-SFYZADRCSA-N 1 0 305.180 3.062 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)s1 ZINC000087617585 545806045 /nfs/dbraw/zinc/80/60/45/545806045.db2.gz JXWGYPOEXUCQEA-ZWNOBZJWSA-N 1 0 320.845 3.466 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000089454579 545814764 /nfs/dbraw/zinc/81/47/64/545814764.db2.gz HQAFNGGYSXNGAT-OCCSQVGLSA-N 1 0 301.415 3.124 10 0 DGAERO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000089741276 545818966 /nfs/dbraw/zinc/81/89/66/545818966.db2.gz KDVIZHVVEIPNNG-NXEZZACHSA-N 1 0 301.217 3.170 10 0 DGAERO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000089746510 545819613 /nfs/dbraw/zinc/81/96/13/545819613.db2.gz CPBZUHDMRUMATD-ZJUUUORDSA-N 1 0 301.217 3.170 10 0 DGAERO NC(=O)N1CCC([NH2+]CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000090468721 545828602 /nfs/dbraw/zinc/82/86/02/545828602.db2.gz QQYNMRXBMNCNBD-UHFFFAOYSA-N 1 0 323.440 3.029 10 0 DGAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000092100035 545843638 /nfs/dbraw/zinc/84/36/38/545843638.db2.gz SOIUWWXRHVALBU-HNNXBMFYSA-N 1 0 318.804 3.310 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC000093585401 545858555 /nfs/dbraw/zinc/85/85/55/545858555.db2.gz CNBGVRGAXHHOLU-PBHICJAKSA-N 1 0 317.458 3.265 10 0 DGAERO C[C@H](NC(=O)NCC[NH+](C)C)c1ccc(-c2ccccc2)cc1 ZINC000133340402 545967502 /nfs/dbraw/zinc/96/75/02/545967502.db2.gz GAQAXJVLYNSLPF-HNNXBMFYSA-N 1 0 311.429 3.275 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000136396068 545981550 /nfs/dbraw/zinc/98/15/50/545981550.db2.gz OHGQCLGZZGMUGW-ZDUSSCGKSA-N 1 0 303.233 3.325 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000136350038 545981664 /nfs/dbraw/zinc/98/16/64/545981664.db2.gz QDUQRGWCNWAXRK-OLZOCXBDSA-N 1 0 312.866 3.367 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000136433503 545982036 /nfs/dbraw/zinc/98/20/36/545982036.db2.gz JTIQRJQCOSJMJS-CYBMUJFWSA-N 1 0 302.340 3.037 10 0 DGAERO CSc1ccc(OCC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000173528878 546104451 /nfs/dbraw/zinc/10/44/51/546104451.db2.gz OWJARAVQFZIGKT-HUUCEWRRSA-N 1 0 308.491 3.202 10 0 DGAERO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000180327449 546143252 /nfs/dbraw/zinc/14/32/52/546143252.db2.gz VXOTZFDSIQMGJC-QAPCUYQASA-N 1 0 312.461 3.423 10 0 DGAERO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000181400218 546156942 /nfs/dbraw/zinc/15/69/42/546156942.db2.gz GKMBRYRVECGHAQ-LSDHHAIUSA-N 1 0 306.450 3.287 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccc2ccccc2c1 ZINC000181486796 546157194 /nfs/dbraw/zinc/15/71/94/546157194.db2.gz GSPBOMMKPQZMFX-CYBMUJFWSA-N 1 0 318.380 3.027 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1)CS(C)(=O)=O ZINC000181504032 546157719 /nfs/dbraw/zinc/15/77/19/546157719.db2.gz GVEGDJULDGIDFR-KBPBESRZSA-N 1 0 305.443 3.171 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000181608407 546158007 /nfs/dbraw/zinc/15/80/07/546158007.db2.gz QPCVPZDQEZYBSW-WDEREUQCSA-N 1 0 323.380 3.037 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CCCOc2ccc3c(c2)OCO3)o1 ZINC000182566606 546165691 /nfs/dbraw/zinc/16/56/91/546165691.db2.gz VMPCCVZESPQAOH-ZDUSSCGKSA-N 1 0 303.358 3.436 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000182561434 546165898 /nfs/dbraw/zinc/16/58/98/546165898.db2.gz OMXGDAKSJPGOJH-WDEREUQCSA-N 1 0 320.380 3.200 10 0 DGAERO COc1ccc(-c2cnc(C[NH2+][C@H](C)[C@@H]3CCCO3)o2)cc1 ZINC000183122825 546172184 /nfs/dbraw/zinc/17/21/84/546172184.db2.gz MSFYZYOJJYOHGJ-DOMZBBRYSA-N 1 0 302.374 3.007 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](CCC(N)=O)C1 ZINC000185293424 546187384 /nfs/dbraw/zinc/18/73/84/546187384.db2.gz AGWNJEORLUTSIA-HNNXBMFYSA-N 1 0 311.429 3.334 10 0 DGAERO Cc1n[nH]cc1[C@@H](C)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188003660 546202597 /nfs/dbraw/zinc/20/25/97/546202597.db2.gz YLTVBDMNYNCHAX-GFCCVEGCSA-N 1 0 318.852 3.080 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1Cl ZINC000188413957 546205400 /nfs/dbraw/zinc/20/54/00/546205400.db2.gz SBRYCEWRYCYRLC-AWEZNQCLSA-N 1 0 305.809 3.210 10 0 DGAERO CC(C)([NH2+]Cc1cncnc1)c1ccc(OC(F)(F)F)cc1 ZINC000188901642 546208969 /nfs/dbraw/zinc/20/89/69/546208969.db2.gz CHSXZUAMUPMVON-UHFFFAOYSA-N 1 0 311.307 3.400 10 0 DGAERO OC1CCC(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000227654611 546268730 /nfs/dbraw/zinc/26/87/30/546268730.db2.gz ISPGGBUACCXRCX-UHFFFAOYSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1cc(C[NH2+]C(C)(C)C(C)(C)O)ccc1Br ZINC000229029928 546270888 /nfs/dbraw/zinc/27/08/88/546270888.db2.gz MQVVDYWKOQQGSX-UHFFFAOYSA-N 1 0 300.240 3.397 10 0 DGAERO CC1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000232882655 546276857 /nfs/dbraw/zinc/27/68/57/546276857.db2.gz CKFKEYKVHBAPGW-SNVBAGLBSA-N 1 0 304.217 3.123 10 0 DGAERO Clc1cc(Br)cnc1NC[C@H]1CCCC[NH2+]1 ZINC000236052344 546279736 /nfs/dbraw/zinc/27/97/36/546279736.db2.gz LUMSQHQIOBBFTR-SECBINFHSA-N 1 0 304.619 3.052 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)NCCC[NH+](CC)CC)cc1 ZINC000244170612 546296138 /nfs/dbraw/zinc/29/61/38/546296138.db2.gz VDHKFFDOPPXBIL-HNNXBMFYSA-N 1 0 305.466 3.341 10 0 DGAERO CC(C)CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245640745 546298221 /nfs/dbraw/zinc/29/82/21/546298221.db2.gz KMTXCOHJJJQCLK-SJORKVTESA-N 1 0 303.450 3.119 10 0 DGAERO O=C(NC1CC1)[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000247558201 546311399 /nfs/dbraw/zinc/31/13/99/546311399.db2.gz RGNBVWLUZKQFNI-MISYRCLQSA-N 1 0 320.436 3.400 10 0 DGAERO CC[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CC[C@H]1[NH3+] ZINC000251677255 546330201 /nfs/dbraw/zinc/33/02/01/546330201.db2.gz HTRFRLOCTKUCRX-LDYMZIIASA-N 1 0 307.747 3.317 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cc3ccccc3s2)C1 ZINC000252818598 546331946 /nfs/dbraw/zinc/33/19/46/546331946.db2.gz ZTZFJLMYAXENBF-HIFRSBDPSA-N 1 0 304.459 3.273 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cc(Br)cs1 ZINC000300234600 546435223 /nfs/dbraw/zinc/43/52/23/546435223.db2.gz OLIBZEYSYFLTLV-GDPRMGEGSA-N 1 0 304.253 3.465 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncnc2c1CCCC2 ZINC000309885287 546451642 /nfs/dbraw/zinc/45/16/42/546451642.db2.gz LAHYEWDCNGKCCS-HNNXBMFYSA-N 1 0 310.445 3.288 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]C1CSC1 ZINC000309926637 546451802 /nfs/dbraw/zinc/45/18/02/546451802.db2.gz VNJHEOBZHPSCJW-QMMMGPOBSA-N 1 0 302.237 3.224 10 0 DGAERO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312606345 546453303 /nfs/dbraw/zinc/45/33/03/546453303.db2.gz RJMKYNDXRWLNAS-VGDKGRGNSA-N 1 0 300.276 3.302 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000389848584 546753284 /nfs/dbraw/zinc/75/32/84/546753284.db2.gz SKVRRUKMANVRMS-GQWLDOHISA-N 1 0 321.468 3.366 10 0 DGAERO Cc1cncc(CC[NH2+]Cc2cc(Br)ccc2F)n1 ZINC000402787881 546765783 /nfs/dbraw/zinc/76/57/83/546765783.db2.gz QIUIGQHVWJYMTG-UHFFFAOYSA-N 1 0 324.197 3.019 10 0 DGAERO c1nc(C2CC2)c(C[NH2+]CC[C@H]2COc3ccccc3O2)s1 ZINC000487283541 546917620 /nfs/dbraw/zinc/91/76/20/546917620.db2.gz YDSFWFQXDQPDAF-ZDUSSCGKSA-N 1 0 316.426 3.340 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCOC1)CS2 ZINC000494456927 546934382 /nfs/dbraw/zinc/93/43/82/546934382.db2.gz PFBDOFKULGESOW-JQWIXIFHSA-N 1 0 314.248 3.365 10 0 DGAERO c1ccc(C[C@@H]([NH2+]C[C@H]2COCCO2)C2CCCCC2)cc1 ZINC000532448340 546980273 /nfs/dbraw/zinc/98/02/73/546980273.db2.gz DRPYSTXYEKGYLH-RBUKOAKNSA-N 1 0 303.446 3.183 10 0 DGAERO Cc1cccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1F ZINC000675055368 548148840 /nfs/dbraw/zinc/14/88/40/548148840.db2.gz ROONSBRGLIPHRP-TZMCWYRMSA-N 1 0 308.397 3.452 10 0 DGAERO CN1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C(C)(C)C1 ZINC000675075143 548150012 /nfs/dbraw/zinc/15/00/12/548150012.db2.gz LJLCQBAOZKBEHE-ZDUSSCGKSA-N 1 0 315.230 3.018 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(Br)cn1 ZINC000684553813 549657329 /nfs/dbraw/zinc/65/73/29/549657329.db2.gz VKTDXTYOSCKBHK-MJVIPROJSA-N 1 0 313.239 3.046 10 0 DGAERO CCCCCCOCC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000730773734 574535753 /nfs/dbraw/zinc/53/57/53/574535753.db2.gz VLKXUPFFMZFZFI-UHFFFAOYSA-N 1 0 312.498 3.162 10 0 DGAERO C/C(=C\C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000730785852 574535927 /nfs/dbraw/zinc/53/59/27/574535927.db2.gz KPYAXVUKTNZGLL-MHYRICRISA-N 1 0 300.446 3.469 10 0 DGAERO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000228932009 574536362 /nfs/dbraw/zinc/53/63/62/574536362.db2.gz OTDRXRZOAQSPBN-MNOVXSKESA-N 1 0 302.340 3.269 10 0 DGAERO C[C@@H](CNC(=O)CC/C=C/c1ccccc1)[NH+]1CCCCC1 ZINC000737811650 574537875 /nfs/dbraw/zinc/53/78/75/574537875.db2.gz SXRUZOYTTSOZBN-NIUUYTMRSA-N 1 0 300.446 3.471 10 0 DGAERO COc1cccc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675053628 563860627 /nfs/dbraw/zinc/86/06/27/563860627.db2.gz JNWAQFWLTCFZGU-HIFRSBDPSA-N 1 0 306.406 3.013 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cc(F)cc(F)c1 ZINC000675054408 563861792 /nfs/dbraw/zinc/86/17/92/563861792.db2.gz NKHBPCSLKOFGEG-KBPBESRZSA-N 1 0 312.360 3.364 10 0 DGAERO C/C(=C\C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC000732063314 574565629 /nfs/dbraw/zinc/56/56/29/574565629.db2.gz UNWCXQADZBTGIN-RBFDBLARSA-N 1 0 318.436 3.466 10 0 DGAERO C/C(=C/C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccc(F)c1 ZINC000732064849 574565884 /nfs/dbraw/zinc/56/58/84/574565884.db2.gz HEPPWCDJAWPZGJ-NZHZHZHDSA-N 1 0 316.420 3.316 10 0 DGAERO C/C(=C/C(=O)NC[C@H](C)[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732059375 574566132 /nfs/dbraw/zinc/56/61/32/574566132.db2.gz FDKUEGVMZODYQZ-SZGZABIGSA-N 1 0 304.409 3.220 10 0 DGAERO COc1ccc2[nH]cc(CC[NH2+]Cc3cnn4ccccc34)c2c1 ZINC000733326694 574616209 /nfs/dbraw/zinc/61/62/09/574616209.db2.gz UFJTWJVRIPKGHC-UHFFFAOYSA-N 1 0 320.396 3.157 10 0 DGAERO C[C@H](C(=O)Nc1ccc2c(c1)CCCN2C)[NH+]1CCCCCC1 ZINC000733925591 574645152 /nfs/dbraw/zinc/64/51/52/574645152.db2.gz OIBVYRJTDLTJIY-OAHLLOKOSA-N 1 0 315.461 3.272 10 0 DGAERO C[C@@H](C(=O)OCCOc1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741023849 574948988 /nfs/dbraw/zinc/94/89/88/574948988.db2.gz XZNGWTCCDUIVGK-MJBXVCDLSA-N 1 0 309.381 3.009 10 0 DGAERO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[NH+]1CCCCC1 ZINC000741670881 574965949 /nfs/dbraw/zinc/96/59/49/574965949.db2.gz DPEUCQSQCLLGHR-XNRPHZJLSA-N 1 0 322.399 3.059 10 0 DGAERO C[NH+](C)CC(C)(C)CNC(=S)N1CCC2(C1)CCCCC2 ZINC000741869102 574973900 /nfs/dbraw/zinc/97/39/00/574973900.db2.gz ZEHUWOIYYNAISG-UHFFFAOYSA-N 1 0 311.539 3.105 10 0 DGAERO O=C1CC2(CCCCC2)C(=O)N1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000742165774 574983455 /nfs/dbraw/zinc/98/34/55/574983455.db2.gz LCEZALSILQSCSC-UHFFFAOYSA-N 1 0 318.461 3.310 10 0 DGAERO Cc1cn2c([nH+]1)N[C@H]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000236043889 575839404 /nfs/dbraw/zinc/83/94/04/575839404.db2.gz SHLMSQSJERUWKQ-KBPBESRZSA-N 1 0 320.437 3.023 10 0 DGAERO C[NH+](C)CC(C)(C)CNC(=S)N1CC2(CC2)c2ccccc21 ZINC000739443658 575919156 /nfs/dbraw/zinc/91/91/56/575919156.db2.gz KQRKNXNMOYEGCO-UHFFFAOYSA-N 1 0 317.502 3.001 10 0 DGAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398155213 575960545 /nfs/dbraw/zinc/96/05/45/575960545.db2.gz ZQPOPKGGIQHJCC-FZCLSBEQSA-N 1 0 304.503 3.381 10 0 DGAERO Cc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)cc(C)c1Br ZINC000232036297 576163904 /nfs/dbraw/zinc/16/39/04/576163904.db2.gz OHJPFGKEHACMJO-GFCCVEGCSA-N 1 0 313.239 3.378 10 0 DGAERO COc1ccccc1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053519 576215156 /nfs/dbraw/zinc/21/51/56/576215156.db2.gz IKYPRTLGACFVLA-TZMCWYRMSA-N 1 0 306.406 3.013 10 0 DGAERO Clc1cc(C[NH+]2CCC3(CC2)OCCO3)c2ccccc2n1 ZINC000154610952 620693106 /nfs/dbraw/zinc/69/31/06/620693106.db2.gz FBZHEJNXVYEKOW-UHFFFAOYSA-N 1 0 318.804 3.227 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)C(C)C ZINC000300202496 617635817 /nfs/dbraw/zinc/63/58/17/617635817.db2.gz FCMLPSKSTSTJFD-KKUMJFAQSA-N 1 0 314.470 3.035 10 0 DGAERO CC(=O)CCCCCCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000153676221 620592453 /nfs/dbraw/zinc/59/24/53/620592453.db2.gz KOPHNGJLCTZJFA-SFHVURJKSA-N 1 0 322.493 3.393 10 0 DGAERO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cscn1 ZINC000114990219 621071223 /nfs/dbraw/zinc/07/12/23/621071223.db2.gz QQGGVYZDDATAMS-HNNXBMFYSA-N 1 0 316.426 3.212 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cn3c4ccccc4oc3=S)C2)cn1 ZINC000116258758 621214485 /nfs/dbraw/zinc/21/44/85/621214485.db2.gz OLQUALKWDFMLKA-LBPRGKRZSA-N 1 0 314.414 3.144 10 0 DGAERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000117101415 621351551 /nfs/dbraw/zinc/35/15/51/621351551.db2.gz HLVNHAGJKYAKLO-HNNXBMFYSA-N 1 0 317.335 3.396 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000119713546 621718205 /nfs/dbraw/zinc/71/82/05/621718205.db2.gz MTFIAABFJBZVNV-HNNXBMFYSA-N 1 0 308.397 3.317 10 0 DGAERO O=C(Cc1ccoc1)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000125870289 623579193 /nfs/dbraw/zinc/57/91/93/623579193.db2.gz KNOZYHVKCFGDSE-SFHVURJKSA-N 1 0 313.397 3.278 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc1Cl ZINC000126424455 623832798 /nfs/dbraw/zinc/83/27/98/623832798.db2.gz DACKPEWGFMTJIF-RISCZKNCSA-N 1 0 310.825 3.454 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1 ZINC000024276491 625136465 /nfs/dbraw/zinc/13/64/65/625136465.db2.gz SFFVAHQWHMEAEO-IENJSVCTSA-N 1 0 312.388 3.258 10 0 DGAERO S=C1OCCN1C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000130812061 625906686 /nfs/dbraw/zinc/90/66/86/625906686.db2.gz QRJMJTKKIPAOFT-INIZCTEOSA-N 1 0 304.459 3.048 10 0 DGAERO CC1(CO)CC[NH+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000131588532 626656693 /nfs/dbraw/zinc/65/66/93/626656693.db2.gz GBNSIWIYJDEWAK-UHFFFAOYSA-N 1 0 304.821 3.483 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000132047160 626696382 /nfs/dbraw/zinc/69/63/82/626696382.db2.gz CRPTXRHQLBBIBL-OALUTQOASA-N 1 0 311.425 3.266 10 0 DGAERO CCN(CC)c1ccc([C@@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000757185682 626753891 /nfs/dbraw/zinc/75/38/91/626753891.db2.gz YXLNFSIXAZVJEA-DLBZAZTESA-N 1 0 318.461 3.178 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@@H](C(F)(F)F)C2 ZINC000757187432 626753981 /nfs/dbraw/zinc/75/39/81/626753981.db2.gz ZSBOPRBBDJQJHZ-SUNKGSAMSA-N 1 0 307.356 3.286 10 0 DGAERO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000219406091 627146581 /nfs/dbraw/zinc/14/65/81/627146581.db2.gz LXGGPSYFANAKBZ-LSDHHAIUSA-N 1 0 310.438 3.058 10 0 DGAERO C[C@H](O)C[N@H+](C[C@H](O)c1ccccc1Cl)C1CCCCC1 ZINC000104683852 630507674 /nfs/dbraw/zinc/50/76/74/630507674.db2.gz UWJKXAJFABJMRT-GUYCJALGSA-N 1 0 311.853 3.389 10 0 DGAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)o1 ZINC000105433660 630710044 /nfs/dbraw/zinc/71/00/44/630710044.db2.gz PXFVQEHUIBHBOS-TZMCWYRMSA-N 1 0 308.422 3.407 10 0 DGAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000109520277 632221917 /nfs/dbraw/zinc/22/19/17/632221917.db2.gz GPTOBJBENPKQKA-GFCCVEGCSA-N 1 0 314.216 3.493 10 0 DGAERO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000110119509 632463505 /nfs/dbraw/zinc/46/35/05/632463505.db2.gz JXSURSXXYMCEDK-OAHLLOKOSA-N 1 0 317.335 3.396 10 0 DGAERO CC(C)(C)SCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000073018839 660236456 /nfs/dbraw/zinc/23/64/56/660236456.db2.gz UBSPTFAWULGQSH-MRXNPFEDSA-N 1 0 320.502 3.471 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cncc(F)c1 ZINC000721926976 660443747 /nfs/dbraw/zinc/44/37/47/660443747.db2.gz UWDDTBUWVCTUOB-LALPHHSUSA-N 1 0 323.412 3.127 10 0 DGAERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719606942 662294442 /nfs/dbraw/zinc/29/44/42/662294442.db2.gz IBYOEGSIZKJHIW-LLVKDONJSA-N 1 0 316.239 3.163 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000186750219 660573244 /nfs/dbraw/zinc/57/32/44/660573244.db2.gz HCTUGNCXLYEONH-KOLCDFICSA-N 1 0 308.834 3.283 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000700017803 660608390 /nfs/dbraw/zinc/60/83/90/660608390.db2.gz BFRZRBODCFGWFN-LVQVYYBASA-N 1 0 308.466 3.269 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)C2CCCCC2)[C@H]1C ZINC000700003376 660608926 /nfs/dbraw/zinc/60/89/26/660608926.db2.gz AZPBFNHTJKKLGK-YCPHGPKFSA-N 1 0 301.496 3.148 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000700087363 660612052 /nfs/dbraw/zinc/61/20/52/660612052.db2.gz NAVVFAPFIIGKJQ-QDMKHBRRSA-N 1 0 308.466 3.317 10 0 DGAERO CC(C)(C)OC(=O)NC[C@](C)([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000700105416 660612151 /nfs/dbraw/zinc/61/21/51/660612151.db2.gz HPOLHNOXBWTDOP-AHXJXLJNSA-N 1 0 308.466 3.316 10 0 DGAERO CC(C)(C)CC[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000700260113 660618707 /nfs/dbraw/zinc/61/87/07/660618707.db2.gz ZKDAPYUGHXPUKZ-UHFFFAOYSA-N 1 0 314.470 3.086 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@H]2CC[C@H](C)SC2)CCN1C(=O)OC(C)(C)C ZINC000700753317 660633132 /nfs/dbraw/zinc/63/31/32/660633132.db2.gz HWNHHTBTORFIPP-CRWXNKLISA-N 1 0 314.495 3.258 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cncc(F)c1 ZINC000700746891 660634485 /nfs/dbraw/zinc/63/44/85/660634485.db2.gz VNXRCDWISAQGEU-SLEUVZQESA-N 1 0 323.412 3.269 10 0 DGAERO Clc1cc(C[NH2+]CCOC2CCOCC2)c(Cl)s1 ZINC000701383693 660666340 /nfs/dbraw/zinc/66/63/40/660666340.db2.gz VQVUPWUPBGXESJ-UHFFFAOYSA-N 1 0 310.246 3.340 10 0 DGAERO Cc1ccc(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)o1 ZINC000701924849 660695598 /nfs/dbraw/zinc/69/55/98/660695598.db2.gz OSYABFAAVYKTMP-UHFFFAOYSA-N 1 0 306.406 3.077 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C(C1CC1)C1CC1)C2 ZINC000701924584 660695688 /nfs/dbraw/zinc/69/56/88/660695688.db2.gz OMSZRCKWWATQGN-UHFFFAOYSA-N 1 0 306.450 3.164 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000701995700 660696397 /nfs/dbraw/zinc/69/63/97/660696397.db2.gz YTLAGEUXEKIWQI-ZOBORPQBSA-N 1 0 314.495 3.163 10 0 DGAERO CS[C@H]1CC[C@@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000701986952 660696614 /nfs/dbraw/zinc/69/66/14/660696614.db2.gz OXHUHBJMKPSIQQ-RYUDHWBXSA-N 1 0 302.484 3.163 10 0 DGAERO C[C@@]12CN(C(=O)c3ccccc3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702119102 660708290 /nfs/dbraw/zinc/70/82/90/660708290.db2.gz MPSWESKNNKERCH-PZJWPPBQSA-N 1 0 320.436 3.281 10 0 DGAERO C[C@H]([NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)C1(Cl)CC1 ZINC000702358157 660720415 /nfs/dbraw/zinc/72/04/15/660720415.db2.gz IOHLHKXGZBIDQQ-LBPRGKRZSA-N 1 0 316.873 3.431 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000702395892 660722201 /nfs/dbraw/zinc/72/22/01/660722201.db2.gz YTGRMPBWBNTDCB-JHJVBQTASA-N 1 0 305.365 3.222 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000702395894 660722344 /nfs/dbraw/zinc/72/23/44/660722344.db2.gz YTGRMPBWBNTDCB-RWMBFGLXSA-N 1 0 305.365 3.222 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000702506939 660725762 /nfs/dbraw/zinc/72/57/62/660725762.db2.gz RXFVTDHOTVQUJS-ZDUSSCGKSA-N 1 0 300.418 3.258 10 0 DGAERO C[C@@H]1OC[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@@H]1C ZINC000702902684 660747186 /nfs/dbraw/zinc/74/71/86/660747186.db2.gz CWTAUWMFTUDYOA-RYRKJORJSA-N 1 0 303.446 3.387 10 0 DGAERO CC[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)C1CCCCC1 ZINC000704182067 660804713 /nfs/dbraw/zinc/80/47/13/660804713.db2.gz ULOFXTMXLPVJDW-GOEBONIOSA-N 1 0 301.496 3.292 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]Cc2ccc(C)nc2)CCN1C(=O)OC(C)(C)C ZINC000704616807 660813211 /nfs/dbraw/zinc/81/32/11/660813211.db2.gz QDSADABMYSJWQK-JKSUJKDBSA-N 1 0 319.449 3.268 10 0 DGAERO Cc1ncccc1C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000705529173 660837413 /nfs/dbraw/zinc/83/74/13/660837413.db2.gz AUHXPACRTILJEN-CJNGLKHVSA-N 1 0 319.449 3.125 10 0 DGAERO Cc1cc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCCCC2)on1 ZINC000705569461 660837834 /nfs/dbraw/zinc/83/78/34/660837834.db2.gz XNASEXMJOGKSHF-UHFFFAOYSA-N 1 0 323.437 3.300 10 0 DGAERO C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCCO1 ZINC000705994929 660841300 /nfs/dbraw/zinc/84/13/00/660841300.db2.gz AHGDIOVSUKLJIS-ZBFHGGJFSA-N 1 0 324.465 3.101 10 0 DGAERO C[N@@H+]1C[C@@]2(C)CN(Cc3nc(Cl)ccc3Cl)C[C@@]2(C)C1 ZINC000706232460 660850562 /nfs/dbraw/zinc/85/05/62/660850562.db2.gz AIFXTFCTYGXTIY-GASCZTMLSA-N 1 0 314.260 3.162 10 0 DGAERO COc1nsc(C[NH2+][C@@H](C)C2(C)CC2)c1Br ZINC000706937729 660882060 /nfs/dbraw/zinc/88/20/60/660882060.db2.gz VQPXQEYNABLXQK-ZETCQYMHSA-N 1 0 305.241 3.192 10 0 DGAERO CSC1CC([NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000708289415 660919843 /nfs/dbraw/zinc/91/98/43/660919843.db2.gz QTOCDEPSZXXXAN-FEPKRQSRSA-N 1 0 314.495 3.116 10 0 DGAERO C[NH+](C)C1(C)CCN(Cc2cccc(Br)c2)CC1 ZINC000709894527 660931165 /nfs/dbraw/zinc/93/11/65/660931165.db2.gz YUMKBDSBMKEUAU-UHFFFAOYSA-N 1 0 311.267 3.365 10 0 DGAERO C[C@@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cn(C)cn1 ZINC000709926960 660931693 /nfs/dbraw/zinc/93/16/93/660931693.db2.gz CZZMVKQXGASIQQ-AEFFLSMTSA-N 1 0 312.461 3.125 10 0 DGAERO Cc1c(F)ncnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000710148905 660932181 /nfs/dbraw/zinc/93/21/81/660932181.db2.gz VHDRWSHKAIAXQQ-AWEZNQCLSA-N 1 0 314.408 3.025 10 0 DGAERO CC1(C)C[NH2+]CC[C@@H](NC(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000710466552 660932361 /nfs/dbraw/zinc/93/23/61/660932361.db2.gz ADSNKEAWBQRJBM-DUMNWFOQSA-N 1 0 312.866 3.309 10 0 DGAERO C[C@@H](c1csc(Cl)c1)N1CCc2sc(C[NH3+])nc2C1 ZINC000710165407 660932682 /nfs/dbraw/zinc/93/26/82/660932682.db2.gz DUIXIOBDHZWRMT-QMMMGPOBSA-N 1 0 313.879 3.436 10 0 DGAERO CC1(C)C[NH2+]CC[C@@H](NC(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000710466558 660932812 /nfs/dbraw/zinc/93/28/12/660932812.db2.gz ADSNKEAWBQRJBM-VLWUPBBWSA-N 1 0 312.866 3.309 10 0 DGAERO COC1(OC)CC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000710985660 660939244 /nfs/dbraw/zinc/93/92/44/660939244.db2.gz BZEHKNMUCCSWSU-QGZVFWFLSA-N 1 0 319.445 3.115 10 0 DGAERO CC[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000711000725 660939345 /nfs/dbraw/zinc/93/93/45/660939345.db2.gz PFTMGIGTBOCFJC-WKPIXPDZSA-N 1 0 310.235 3.451 10 0 DGAERO CCC(CC)(C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC000711456218 660954050 /nfs/dbraw/zinc/95/40/50/660954050.db2.gz MRNGHKGDJLBTKT-OKILXGFUSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OCCC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711393152 660949242 /nfs/dbraw/zinc/94/92/42/660949242.db2.gz RRACBQXTLDDCND-UHFFFAOYSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2Cc3ccccc32)C1 ZINC000711393572 660949252 /nfs/dbraw/zinc/94/92/52/660949252.db2.gz SXAJNDDZXKCROH-BMFZPTHFSA-N 1 0 316.445 3.219 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCCCS2)C1 ZINC000711389205 660949283 /nfs/dbraw/zinc/94/92/83/660949283.db2.gz FRKUFGFISQHWRY-HZSPNIEDSA-N 1 0 314.495 3.165 10 0 DGAERO CCSCC[C@H](C)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711391751 660949303 /nfs/dbraw/zinc/94/93/03/660949303.db2.gz MSNVVIPXZMTNPZ-MELADBBJSA-N 1 0 316.511 3.411 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000711404380 660949940 /nfs/dbraw/zinc/94/99/40/660949940.db2.gz LTBKMJIZXLQKPT-IYBDPMFKSA-N 1 0 304.434 3.122 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC2(C3CC3)CCC2)C1 ZINC000711403486 660950036 /nfs/dbraw/zinc/95/00/36/660950036.db2.gz DAPIOYKQPUPDEW-OTVXOJSOSA-N 1 0 308.466 3.460 10 0 DGAERO Cc1ccc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)nc1C ZINC000711446410 660953367 /nfs/dbraw/zinc/95/33/67/660953367.db2.gz DIHORAYDELPOBM-UHFFFAOYSA-N 1 0 319.449 3.091 10 0 DGAERO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccccc1SC(F)F ZINC000711223609 660941849 /nfs/dbraw/zinc/94/18/49/660941849.db2.gz JAQXAQUNJUTIHQ-VIFPVBQESA-N 1 0 300.374 3.185 10 0 DGAERO c1cn(C2CC2)c(CNC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000711773502 660962834 /nfs/dbraw/zinc/96/28/34/660962834.db2.gz SSUULNVMFJPGQU-LJQANCHMSA-N 1 0 324.472 3.362 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@H](C3CCC3)[C@@H]3CCOC3)C2)cc1 ZINC000711830936 660963672 /nfs/dbraw/zinc/96/36/72/660963672.db2.gz FTGRYJGUZRIAOS-HSALFYBXSA-N 1 0 314.473 3.056 10 0 DGAERO COC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000711834241 660963871 /nfs/dbraw/zinc/96/38/71/660963871.db2.gz VKBJJSPYQSOXIT-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3ccccn3)CCC[C@@H]12 ZINC000711637527 660959966 /nfs/dbraw/zinc/95/99/66/660959966.db2.gz AAADQEPHQPOUKI-QAPCUYQASA-N 1 0 317.433 3.103 10 0 DGAERO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 ZINC000700745460 660970749 /nfs/dbraw/zinc/97/07/49/660970749.db2.gz TZILMUXGWWWKPP-XJKSGUPXSA-N 1 0 320.433 3.183 10 0 DGAERO CO[C@]1(C[NH2+]Cc2nc(C(C)(C)C)cs2)CCSC1 ZINC000719313337 660973184 /nfs/dbraw/zinc/97/31/84/660973184.db2.gz HPVFCSOAVPTZDP-AWEZNQCLSA-N 1 0 300.493 3.052 10 0 DGAERO Cc1nn(C)c(C)c1CCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000091537530 655580539 /nfs/dbraw/zinc/58/05/39/655580539.db2.gz BEHPHJRNYLLIFA-UHFFFAOYSA-N 1 0 313.449 3.013 10 0 DGAERO COCOc1ccc(OC)cc1C[NH2+]C/C=C\c1ccccc1 ZINC000255060005 655588432 /nfs/dbraw/zinc/58/84/32/655588432.db2.gz PRQBQJZDTNGDAT-TWGQIWQCSA-N 1 0 313.397 3.481 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cc(C)cc(C)c1 ZINC000247232228 655597950 /nfs/dbraw/zinc/59/79/50/655597950.db2.gz ZJOYWBTWDJLQLG-OALUTQOASA-N 1 0 313.445 3.006 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)/C=C\c1ccnc2ccccc12 ZINC000255102438 655598804 /nfs/dbraw/zinc/59/88/04/655598804.db2.gz CVYQLWGIDSXNFJ-KTKRTIGZSA-N 1 0 311.429 3.096 10 0 DGAERO Cc1cc(C)cc([C@@H](O)C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000160311276 655605614 /nfs/dbraw/zinc/60/56/14/655605614.db2.gz VPQIEWBEUQPBLR-KRWDZBQOSA-N 1 0 316.470 3.221 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CC(=O)N(C)C2)c2ccsc2S1 ZINC000723555525 655699273 /nfs/dbraw/zinc/69/92/73/655699273.db2.gz JWFFHNCPUXVESZ-DMDPSCGWSA-N 1 0 310.488 3.132 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1CC[NH3+] ZINC000723890476 655728987 /nfs/dbraw/zinc/72/89/87/655728987.db2.gz HJJGJGUOSVFRBL-NXEZZACHSA-N 1 0 316.232 3.442 10 0 DGAERO CC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCCOC1 ZINC000724010395 655736154 /nfs/dbraw/zinc/73/61/54/655736154.db2.gz OPUAGNRUNVDVFV-UONOGXRCSA-N 1 0 314.470 3.085 10 0 DGAERO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724055844 655739460 /nfs/dbraw/zinc/73/94/60/655739460.db2.gz BLVNATNROJUSAH-IVZWLZJFSA-N 1 0 321.355 3.199 10 0 DGAERO C[C@@](O)(C[NH2+][C@H](C1CC1)C1CCC1)C(F)(F)C(F)(F)F ZINC000724114567 655743880 /nfs/dbraw/zinc/74/38/80/655743880.db2.gz FDJBHELLUXYRPJ-WDEREUQCSA-N 1 0 301.299 3.103 10 0 DGAERO CSC[C@H]1CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724117400 655744240 /nfs/dbraw/zinc/74/42/40/655744240.db2.gz KVPZAETYMRIDGX-UWVGGRQHSA-N 1 0 321.355 3.010 10 0 DGAERO COCCC(C)(C)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000234647880 655746836 /nfs/dbraw/zinc/74/68/36/655746836.db2.gz ODZIYKOTKJWXCC-CQSZACIVSA-N 1 0 314.470 3.038 10 0 DGAERO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(Cl)c1 ZINC000724620649 655795514 /nfs/dbraw/zinc/79/55/14/655795514.db2.gz JZAMBHQOIIFBST-NFOTXUCKSA-N 1 0 316.228 3.448 10 0 DGAERO [NH2+]=C(NCc1ccc(Br)cc1)NC1CCCCC1 ZINC000052046975 655801264 /nfs/dbraw/zinc/80/12/64/655801264.db2.gz HIEWPFZFESRLIV-UHFFFAOYSA-N 1 0 310.239 3.396 10 0 DGAERO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000712471195 661188479 /nfs/dbraw/zinc/18/84/79/661188479.db2.gz QANNRGQIFVSRGF-ZYHUDNBSSA-N 1 0 300.244 3.241 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)cc1Cl ZINC000724668770 655807090 /nfs/dbraw/zinc/80/70/90/655807090.db2.gz KYKDYMIAVZSQOD-FCIGDQIPSA-N 1 0 316.228 3.448 10 0 DGAERO Cn1cc(C[NH2+]CC2CCCCCC2)c(Br)n1 ZINC000712480270 661188949 /nfs/dbraw/zinc/18/89/49/661188949.db2.gz URXUQAJQVRQOJT-UHFFFAOYSA-N 1 0 300.244 3.243 10 0 DGAERO Clc1ccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)s1 ZINC000712637480 661189451 /nfs/dbraw/zinc/18/94/51/661189451.db2.gz CPSKDUVFTXTKOS-LLVKDONJSA-N 1 0 301.839 3.077 10 0 DGAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000712967219 661189725 /nfs/dbraw/zinc/18/97/25/661189725.db2.gz SCQFGSUYEYWUOT-QKNQBKEWSA-N 1 0 320.436 3.343 10 0 DGAERO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCc1sccc1Br ZINC000713015302 661189788 /nfs/dbraw/zinc/18/97/88/661189788.db2.gz ZKWLJXYRUWJPLE-ATZCPNFKSA-N 1 0 304.253 3.066 10 0 DGAERO CC[C@H]1C[C@@H]([NH2+]CCc2sccc2Br)CO1 ZINC000713047164 661189905 /nfs/dbraw/zinc/18/99/05/661189905.db2.gz XGILBVHBGSDKKF-ZJUUUORDSA-N 1 0 304.253 3.210 10 0 DGAERO Brc1ccsc1CC[NH2+][C@@H]1CCCOCC1 ZINC000713094644 661190242 /nfs/dbraw/zinc/19/02/42/661190242.db2.gz TVWRWBJXNAUDIF-SNVBAGLBSA-N 1 0 304.253 3.212 10 0 DGAERO Cc1cnc(C[NH2+]CCc2sccc2Br)o1 ZINC000713078811 661190246 /nfs/dbraw/zinc/19/02/46/661190246.db2.gz QIZMPCFEMCKOEN-UHFFFAOYSA-N 1 0 301.209 3.139 10 0 DGAERO COC[C@@H]([NH2+]CCc1sccc1Br)C1CC1 ZINC000713081414 661190259 /nfs/dbraw/zinc/19/02/59/661190259.db2.gz JZGAPCZBNSNZTD-LLVKDONJSA-N 1 0 304.253 3.068 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CCc2sccc2Br)CCO1 ZINC000713095506 661190260 /nfs/dbraw/zinc/19/02/60/661190260.db2.gz UOILDQSXVYKLTC-VHSXEESVSA-N 1 0 304.253 3.210 10 0 DGAERO C[C@@H]([NH2+]CCc1sccc1Br)c1nccn1C ZINC000713106198 661190299 /nfs/dbraw/zinc/19/02/99/661190299.db2.gz YQCRUWLDHLDNDU-SECBINFHSA-N 1 0 314.252 3.137 10 0 DGAERO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000724874321 655822675 /nfs/dbraw/zinc/82/26/75/655822675.db2.gz CDHWVNGGNQSVLQ-IVZWLZJFSA-N 1 0 309.353 3.221 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000724967612 655840872 /nfs/dbraw/zinc/84/08/72/655840872.db2.gz WXVQBBMAXMNISS-CJPHDETBSA-N 1 0 322.655 3.167 10 0 DGAERO CC(C)[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1Br ZINC000713817693 661194711 /nfs/dbraw/zinc/19/47/11/661194711.db2.gz QBQBNKSPIJOQGR-GFCCVEGCSA-N 1 0 300.244 3.193 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000714294898 661198061 /nfs/dbraw/zinc/19/80/61/661198061.db2.gz RGTGNESQOMLBLN-WAAGHKOSSA-N 1 0 320.177 3.242 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@]23C[C@H]2CCC3)C1 ZINC000714242066 661198168 /nfs/dbraw/zinc/19/81/68/661198168.db2.gz OAUHNTPLQJOSIM-DAYGRLMNSA-N 1 0 308.466 3.413 10 0 DGAERO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc2ccccc2s1 ZINC000714252992 661198279 /nfs/dbraw/zinc/19/82/79/661198279.db2.gz OAYSHKLRHAKYKH-RAIGVLPGSA-N 1 0 309.456 3.128 10 0 DGAERO CC[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000714366025 661199294 /nfs/dbraw/zinc/19/92/94/661199294.db2.gz NTJRVJONULIQFV-HUUCEWRRSA-N 1 0 315.866 3.348 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(F)c(Cl)c1 ZINC000714367506 661199387 /nfs/dbraw/zinc/19/93/87/661199387.db2.gz TXXMEADJZPHWTG-ZYHUDNBSSA-N 1 0 319.829 3.097 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000714627729 661201266 /nfs/dbraw/zinc/20/12/66/661201266.db2.gz UNMJEUZGOMBQQY-XEGUGMAKSA-N 1 0 310.235 3.451 10 0 DGAERO Clc1nc2sccc2c(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000236083297 655945683 /nfs/dbraw/zinc/94/56/83/655945683.db2.gz OBSQRIVNMNHHNP-SNVBAGLBSA-N 1 0 308.838 3.019 10 0 DGAERO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000721617103 655946981 /nfs/dbraw/zinc/94/69/81/655946981.db2.gz ZGVCELCZAVEJIJ-QYZOEREBSA-N 1 0 316.489 3.444 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000715093678 661208097 /nfs/dbraw/zinc/20/80/97/661208097.db2.gz NPQPVIOBWIPVBC-PNESKVBLSA-N 1 0 318.408 3.315 10 0 DGAERO CC[C@@H](CO)[N@H+](C/C(C)=C\c1ccco1)Cc1ccccn1 ZINC000096767006 655963921 /nfs/dbraw/zinc/96/39/21/655963921.db2.gz RPLNOPIYEIDWIA-HKBKRHGFSA-N 1 0 300.402 3.351 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)o1 ZINC000715436413 661210984 /nfs/dbraw/zinc/21/09/84/661210984.db2.gz CXOOWFCFDPVCDZ-CMPLNLGQSA-N 1 0 300.196 3.089 10 0 DGAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000181512115 656014813 /nfs/dbraw/zinc/01/48/13/656014813.db2.gz FGWDZUCWSXTBNS-AWEZNQCLSA-N 1 0 305.443 3.315 10 0 DGAERO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cscc1Br ZINC000309570747 656025929 /nfs/dbraw/zinc/02/59/29/656025929.db2.gz NOTZKIRKFREPDD-NXEZZACHSA-N 1 0 304.253 3.415 10 0 DGAERO Cc1cc(NC(=O)C23CC[NH+](CC2)C3)cc(C)c1Br ZINC000715853693 661215057 /nfs/dbraw/zinc/21/50/57/661215057.db2.gz HYOPMLKUSUPCCB-UHFFFAOYSA-N 1 0 323.234 3.100 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1ccns1 ZINC000716019583 661216703 /nfs/dbraw/zinc/21/67/03/661216703.db2.gz ISDQUBALRPFIGW-NWDGAFQWSA-N 1 0 313.467 3.487 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccccn1 ZINC000173343439 656050680 /nfs/dbraw/zinc/05/06/80/656050680.db2.gz WQDDJDDWMACUDA-LZWOXQAQSA-N 1 0 319.449 3.426 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccns1 ZINC000715973140 661217570 /nfs/dbraw/zinc/21/75/70/661217570.db2.gz BIIWUTJRNYKJOW-IJEWVQPXSA-N 1 0 301.459 3.457 10 0 DGAERO COC(OC)[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000309779062 656054658 /nfs/dbraw/zinc/05/46/58/656054658.db2.gz DGYRJYQXFAIORB-HNNXBMFYSA-N 1 0 315.413 3.363 10 0 DGAERO COC1(OC)CC[C@@H]1[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000716320238 661221508 /nfs/dbraw/zinc/22/15/08/661221508.db2.gz XTQCNUJRVDKSKH-ZDUSSCGKSA-N 1 0 304.217 3.277 10 0 DGAERO CCC[C@H](C)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000180520122 656093753 /nfs/dbraw/zinc/09/37/53/656093753.db2.gz KYRCBHUZTNIUHP-AWEZNQCLSA-N 1 0 302.418 3.438 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]CC1CCSCC1 ZINC000309897654 656098469 /nfs/dbraw/zinc/09/84/69/656098469.db2.gz OCVYNUOXPFUHJP-NWDGAFQWSA-N 1 0 302.484 3.021 10 0 DGAERO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000309902626 656099546 /nfs/dbraw/zinc/09/95/46/656099546.db2.gz PIKDMBHGYMVRRD-UONOGXRCSA-N 1 0 322.449 3.477 10 0 DGAERO C[C@@H](NC(=O)c1cc(Cl)sc1Cl)C1CC[NH2+]CC1 ZINC000716571669 661224510 /nfs/dbraw/zinc/22/45/10/661224510.db2.gz PDYBSQALDOXWLL-SSDOTTSWSA-N 1 0 307.246 3.173 10 0 DGAERO Brc1ccoc1C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716597815 661224594 /nfs/dbraw/zinc/22/45/94/661224594.db2.gz UYTIWJFHTHDMKR-NSHDSACASA-N 1 0 314.223 3.481 10 0 DGAERO CCOc1cc(C[N@H+](C)CCCF)cc(Br)c1O ZINC000716640782 661226015 /nfs/dbraw/zinc/22/60/15/661226015.db2.gz YSABHGVUJFELAG-UHFFFAOYSA-N 1 0 320.202 3.345 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000309857083 656123070 /nfs/dbraw/zinc/12/30/70/656123070.db2.gz LRJHWJUMLUBPIY-ZNMIVQPWSA-N 1 0 319.449 3.426 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000716862482 661230192 /nfs/dbraw/zinc/23/01/92/661230192.db2.gz SRYUIBGHRHBREP-RNCFNFMXSA-N 1 0 304.203 3.227 10 0 DGAERO CC1(C)C[N@H+](C[C@H](O)c2ccccc2F)CC2(CCCC2)O1 ZINC000190953439 656164931 /nfs/dbraw/zinc/16/49/31/656164931.db2.gz MVNCKSSDNXISMW-INIZCTEOSA-N 1 0 307.409 3.283 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(OC)cc1Br ZINC000716941522 661234484 /nfs/dbraw/zinc/23/44/84/661234484.db2.gz GBUULOYUTOLMEE-PWSUYJOCSA-N 1 0 316.239 3.097 10 0 DGAERO C[C@@H]1CN(c2cc(C(F)(F)F)cc(Cl)n2)C[C@H]1[NH+](C)C ZINC000299905362 656227500 /nfs/dbraw/zinc/22/75/00/656227500.db2.gz UNWAFRSYGADRBI-PSASIEDQSA-N 1 0 307.747 3.140 10 0 DGAERO C[C@H](C1CC1)[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000074766841 656309121 /nfs/dbraw/zinc/30/91/21/656309121.db2.gz KWBNESKJVDUAOB-ZIUDEIKKSA-N 1 0 316.489 3.146 10 0 DGAERO [NH3+][C@@H]1CN(Cc2ccc(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000717147351 661255744 /nfs/dbraw/zinc/25/57/44/661255744.db2.gz GTRNSVOGYGPLIK-ZYHUDNBSSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@@H]1CN(Cc2cc(F)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000717157651 661255895 /nfs/dbraw/zinc/25/58/95/661255895.db2.gz YKCHENVYBZOEEB-ZYHUDNBSSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@@H]1CN(Cc2c(F)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000717156137 661255908 /nfs/dbraw/zinc/25/59/08/661255908.db2.gz UKHLGSGIGGUBBL-JOYOIKCWSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1cscc1C(F)F ZINC000717172121 661256043 /nfs/dbraw/zinc/25/60/43/661256043.db2.gz BJRRTHVTRCCDLS-UHFFFAOYSA-N 1 0 310.369 3.287 10 0 DGAERO [NH3+][C@H]1CN(Cc2c(F)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000717156135 661256046 /nfs/dbraw/zinc/25/60/46/661256046.db2.gz UKHLGSGIGGUBBL-CABZTGNLSA-N 1 0 310.722 3.191 10 0 DGAERO FC(F)(F)c1cscc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000717192843 661256208 /nfs/dbraw/zinc/25/62/08/661256208.db2.gz LSUZOOXGBLIEBQ-ZETCQYMHSA-N 1 0 303.309 3.284 10 0 DGAERO CSCC1CCC([NH2+]C[C@@]2(OC(C)C)CCOC2)CC1 ZINC000722351853 656490500 /nfs/dbraw/zinc/49/05/00/656490500.db2.gz VZHBDIDXMDJSSJ-GPANFISMSA-N 1 0 301.496 3.082 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1F ZINC000723594665 656495969 /nfs/dbraw/zinc/49/59/69/656495969.db2.gz NPWCSMJGANGFLJ-BDAKNGLRSA-N 1 0 319.207 3.261 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000723620720 656496757 /nfs/dbraw/zinc/49/67/57/656496757.db2.gz HREWBVWBRNYKEM-VBSBHUPXSA-N 1 0 316.489 3.302 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1CC[NH3+] ZINC000723890410 656504133 /nfs/dbraw/zinc/50/41/33/656504133.db2.gz GHUWAZZRWMFRNN-NXEZZACHSA-N 1 0 316.232 3.442 10 0 DGAERO CC[C@@H]([NH2+]Cc1cncc(Br)c1)[C@H]1CCCOC1 ZINC000724007168 656505242 /nfs/dbraw/zinc/50/52/42/656505242.db2.gz IQORWECLCYCJNX-GXTWGEPZSA-N 1 0 313.239 3.139 10 0 DGAERO CC(C)O[C@]1(C[NH2+]Cc2cc(Cl)ccc2F)CCOC1 ZINC000722356954 656509813 /nfs/dbraw/zinc/50/98/13/656509813.db2.gz LTVRCUCFWCCOLC-HNNXBMFYSA-N 1 0 301.789 3.153 10 0 DGAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1C ZINC000227687029 656843774 /nfs/dbraw/zinc/84/37/74/656843774.db2.gz XSKZOWAOBGEYNC-NWDGAFQWSA-N 1 0 324.469 3.084 10 0 DGAERO CCN1CCCC[C@H]1C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248511813 657030191 /nfs/dbraw/zinc/03/01/91/657030191.db2.gz BTNFKGWZJFFALV-DOMZBBRYSA-N 1 0 306.362 3.073 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000249882558 657050145 /nfs/dbraw/zinc/05/01/45/657050145.db2.gz HTYBOAQCHUZNKV-TYNCELHUSA-N 1 0 322.453 3.014 10 0 DGAERO C[C@@H](CN1CC[NH2+]C[C@H]1c1cccnc1)c1cccc(Cl)c1 ZINC000261797826 657104927 /nfs/dbraw/zinc/10/49/27/657104927.db2.gz GTKKZJBFYOXCLB-KSSFIOAISA-N 1 0 315.848 3.485 10 0 DGAERO C/C=C(/C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000096681201 657552382 /nfs/dbraw/zinc/55/23/82/657552382.db2.gz FUHFFRXMQGXENY-QRKTZRNBSA-N 1 0 304.409 3.234 10 0 DGAERO CC(C)(C)C[N@@H+]1CCN(C/C=C\c2ccccc2)C[C@@H]1CCO ZINC000096791682 657555332 /nfs/dbraw/zinc/55/53/32/657555332.db2.gz MQJLKFHWELRIHH-KWEPMOPPSA-N 1 0 316.489 3.115 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000304277538 657617894 /nfs/dbraw/zinc/61/78/94/657617894.db2.gz LPVURULRVLOTDE-ZIAGYGMSSA-N 1 0 322.449 3.168 10 0 DGAERO C[C@H](C[NH2+][C@H]1CCCc2cccnc21)N(C)C(=O)OC(C)(C)C ZINC000304304931 657622384 /nfs/dbraw/zinc/62/23/84/657622384.db2.gz PNEOQXWXEUTCMZ-HIFRSBDPSA-N 1 0 319.449 3.304 10 0 DGAERO CC(C)N1CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1=O ZINC000722101958 657644213 /nfs/dbraw/zinc/64/42/13/657644213.db2.gz DAKMBNGUOSOBKZ-CQSZACIVSA-N 1 0 315.244 3.135 10 0 DGAERO CSC1CCC(C[NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000720585068 657937888 /nfs/dbraw/zinc/93/78/88/657937888.db2.gz VDFCFPYXBVTNAA-UHFFFAOYSA-N 1 0 303.422 3.160 10 0 DGAERO CC(C)n1ccc([C@H]2[NH2+]C[C@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC000536959338 658652313 /nfs/dbraw/zinc/65/23/13/658652313.db2.gz JEQMUDVRWVWCKB-QAPCUYQASA-N 1 0 319.449 3.341 10 0 DGAERO CC[C@H](NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)c1nccs1 ZINC000226818867 659139219 /nfs/dbraw/zinc/13/92/19/659139219.db2.gz HRPSFWDCTNLCAN-KWCYVHTRSA-N 1 0 303.431 3.047 10 0 DGAERO CC(C)[C@@H](C)[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000158178676 659149012 /nfs/dbraw/zinc/14/90/12/659149012.db2.gz CRUMIOBMWRUGKF-RBSFLKMASA-N 1 0 314.470 3.035 10 0 DGAERO CC(C)OCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000168887380 659154658 /nfs/dbraw/zinc/15/46/58/659154658.db2.gz OJDFZGZIQQNWAR-CYBMUJFWSA-N 1 0 314.223 3.287 10 0 DGAERO Cc1cc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)cc(C)c1O ZINC000227612074 659159365 /nfs/dbraw/zinc/15/93/65/659159365.db2.gz CQMNRSMBGZGXJI-UHFFFAOYSA-N 1 0 322.449 3.356 10 0 DGAERO C[C@H](CC[NH2+][C@@H]1CCCc2cccnc21)NC(=O)OC(C)(C)C ZINC000227671352 659160149 /nfs/dbraw/zinc/16/01/49/659160149.db2.gz AULWMTIBRGLANQ-UKRRQHHQSA-N 1 0 319.449 3.352 10 0 DGAERO C[C@@H](Cc1ccco1)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227657846 659160704 /nfs/dbraw/zinc/16/07/04/659160704.db2.gz BOWLLKCOJMQRRZ-LSDHHAIUSA-N 1 0 322.449 3.447 10 0 DGAERO Cc1sc(C[NH2+]CC[C@@H]2CCCO2)cc1Br ZINC000227816292 659165775 /nfs/dbraw/zinc/16/57/75/659165775.db2.gz RJDJNFNMYHJMHR-JTQLQIEISA-N 1 0 304.253 3.478 10 0 DGAERO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000229516289 659264964 /nfs/dbraw/zinc/26/49/64/659264964.db2.gz RSLDKZWZQTUDST-BLMOFCDVSA-N 1 0 312.457 3.424 10 0 DGAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC000171573394 659288758 /nfs/dbraw/zinc/28/87/58/659288758.db2.gz RCTWAOWLPWYPCJ-CMPLNLGQSA-N 1 0 314.401 3.087 10 0 DGAERO c1nc(CNC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cs1 ZINC000062426283 659325696 /nfs/dbraw/zinc/32/56/96/659325696.db2.gz YUOWCYSCSIJORD-KRWDZBQOSA-N 1 0 301.459 3.287 10 0 DGAERO CC(C)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000062554702 659334088 /nfs/dbraw/zinc/33/40/88/659334088.db2.gz VPBJBFLSUHIEAV-UHFFFAOYSA-N 1 0 300.446 3.256 10 0 DGAERO COC1CC([NH2+][C@@H](C)c2ccc(F)cc2Br)C1 ZINC000230674469 659345977 /nfs/dbraw/zinc/34/59/77/659345977.db2.gz QEKFNRGFFPBOLR-PUSIOWJLSA-N 1 0 302.187 3.416 10 0 DGAERO C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]1CCCO1 ZINC000230969704 659361883 /nfs/dbraw/zinc/36/18/83/659361883.db2.gz JQCQQNAKQHHXGR-KGLIPLIRSA-N 1 0 314.470 3.179 10 0 DGAERO O=C(NC1CC[NH+](CCCCCCCO)CC1)C1CCCCC1 ZINC000173259716 659377928 /nfs/dbraw/zinc/37/79/28/659377928.db2.gz VMMPIYGIPONUEA-UHFFFAOYSA-N 1 0 324.509 3.090 10 0 DGAERO CC(C)CCCCCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173308520 659379847 /nfs/dbraw/zinc/37/98/47/659379847.db2.gz KQGAZTPPGSZZHO-KRWDZBQOSA-N 1 0 307.482 3.249 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000231721136 659397728 /nfs/dbraw/zinc/39/77/28/659397728.db2.gz KHISQXBCZKSKOR-NWDGAFQWSA-N 1 0 314.813 3.468 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]CCc2ccccc2)C1 ZINC000232008312 659407970 /nfs/dbraw/zinc/40/79/70/659407970.db2.gz DMBYIIMDXHTIEO-QGZVFWFLSA-N 1 0 318.461 3.466 10 0 DGAERO C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000237648840 659934127 /nfs/dbraw/zinc/93/41/27/659934127.db2.gz GPXLJGZBXJZANH-XJKSGUPXSA-N 1 0 320.502 3.256 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C1 ZINC000170868021 659944957 /nfs/dbraw/zinc/94/49/57/659944957.db2.gz AYAFUVFZLRMNQZ-VGMNTSGFSA-N 1 0 300.446 3.160 10 0 DGAERO COCOc1ccc(OC)cc1C[NH2+]C/C=C/c1ccccc1 ZINC000179886123 659945891 /nfs/dbraw/zinc/94/58/91/659945891.db2.gz PRQBQJZDTNGDAT-RMKNXTFCSA-N 1 0 313.397 3.481 10 0 DGAERO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1O ZINC000179944984 659947283 /nfs/dbraw/zinc/94/72/83/659947283.db2.gz LBJFTFCHIFDPFE-OAHLLOKOSA-N 1 0 318.461 3.073 10 0 DGAERO Cc1ccc(-c2ccc(C[NH2+]CCCN3CCOC3=O)o2)cc1 ZINC000170874333 659952974 /nfs/dbraw/zinc/95/29/74/659952974.db2.gz PAJVMLHLJXXDKX-UHFFFAOYSA-N 1 0 314.385 3.187 10 0 DGAERO CCC[C@@H](C)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000180520104 659964666 /nfs/dbraw/zinc/96/46/66/659964666.db2.gz KYRCBHUZTNIUHP-CQSZACIVSA-N 1 0 302.418 3.438 10 0 DGAERO Brc1cc(C[NH2+][C@H]2CCCc3n[nH]cc32)cs1 ZINC000353408641 659974521 /nfs/dbraw/zinc/97/45/21/659974521.db2.gz UKHYBGKMQJCKTF-JTQLQIEISA-N 1 0 312.236 3.401 10 0 DGAERO c1[nH]nc2cc(C[NH2+]C[C@H]3COC4(CCCCCC4)O3)ccc12 ZINC000181096685 659980221 /nfs/dbraw/zinc/98/02/21/659980221.db2.gz MPMVAYGGCVNZFB-INIZCTEOSA-N 1 0 315.417 3.118 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353521759 659995610 /nfs/dbraw/zinc/99/56/10/659995610.db2.gz SLCLPJRTEHGBNW-MNEFBYGVSA-N 1 0 324.472 3.287 10 0 DGAERO c1[nH]nc2c1[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000353590213 660004836 /nfs/dbraw/zinc/00/48/36/660004836.db2.gz IRVIFHNJTQHMMI-WBVHZDCISA-N 1 0 302.466 3.174 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(SC(C)(C)C)c2)C1 ZINC000181606803 660012724 /nfs/dbraw/zinc/01/27/24/660012724.db2.gz ZFNMSQMXEFJFSV-CQSZACIVSA-N 1 0 321.490 3.186 10 0 DGAERO C[C@H]1CN(CCOc2c(Cl)cccc2Cl)C[C@H](C)[NH2+]1 ZINC000070077092 660036806 /nfs/dbraw/zinc/03/68/06/660036806.db2.gz QASPFTVCCCTHRK-QWRGUYRKSA-N 1 0 303.233 3.054 10 0 DGAERO CCCCC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182287637 660041255 /nfs/dbraw/zinc/04/12/55/660041255.db2.gz LDQPRRXPOKWBOG-ZIAGYGMSSA-N 1 0 320.433 3.151 10 0 DGAERO Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1O ZINC000182653762 660069321 /nfs/dbraw/zinc/06/93/21/660069321.db2.gz TUXPGULGTODTSU-GOSISDBHSA-N 1 0 317.816 3.278 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](CN3CCSC3=S)C2)c1 ZINC000182795511 660081339 /nfs/dbraw/zinc/08/13/39/660081339.db2.gz YUISDXFGTLQDEH-CQSZACIVSA-N 1 0 306.500 3.384 10 0 DGAERO CCOC(=O)C[N@@H+](Cc1cccc2cnccc21)CC(C)C ZINC000183115991 660102045 /nfs/dbraw/zinc/10/20/45/660102045.db2.gz XZSZOKNQWZFUCT-UHFFFAOYSA-N 1 0 300.402 3.256 10 0 DGAERO COCCC[C@@H](C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183167166 660103534 /nfs/dbraw/zinc/10/35/34/660103534.db2.gz BALXULJTMCVWNH-AEFFLSMTSA-N 1 0 319.445 3.257 10 0 DGAERO c1cnc2cc(-c3noc([C@@H]4C[C@H]5CCCC[C@H]5[NH2+]4)n3)ccc2n1 ZINC000324960465 660104540 /nfs/dbraw/zinc/10/45/40/660104540.db2.gz WYKFLTXTGXXHQI-KFNAQCHYSA-N 1 0 321.384 3.273 10 0 DGAERO OCC[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)C1CCCCC1 ZINC000183715237 660132973 /nfs/dbraw/zinc/13/29/73/660132973.db2.gz IZIFGJZJTYKRAB-IRXDYDNUSA-N 1 0 311.853 3.294 10 0 DGAERO CC(C)[C@H](C)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000081056318 660152986 /nfs/dbraw/zinc/15/29/86/660152986.db2.gz GGEFMGNBEUYLQJ-RISCZKNCSA-N 1 0 300.240 3.364 10 0 DGAERO C[C@@H]1CC(=O)CC[C@H]1C(=O)OCCC[N@H+](C)Cc1ccccc1 ZINC000184567595 660172919 /nfs/dbraw/zinc/17/29/19/660172919.db2.gz FOPYSWUUDOTKHB-CRAIPNDOSA-N 1 0 317.429 3.057 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000159381355 661886992 /nfs/dbraw/zinc/88/69/92/661886992.db2.gz MXUFEHXBIBXFAK-NHCUHLMSSA-N 1 0 323.436 3.068 10 0 DGAERO CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@@H](O)C(F)(F)F ZINC000189870855 661994723 /nfs/dbraw/zinc/99/47/23/661994723.db2.gz SIRHHIRZRFPOAM-LLVKDONJSA-N 1 0 311.731 3.099 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+]Cc3cccc4c3OCCO4)C2)cc1 ZINC000077327555 662021306 /nfs/dbraw/zinc/02/13/06/662021306.db2.gz YRSIZYANLLVIPW-INIZCTEOSA-N 1 0 324.424 3.074 10 0 DGAERO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2(C)OCCCO2)c1 ZINC000190668830 662040300 /nfs/dbraw/zinc/04/03/00/662040300.db2.gz YLTAOGJRHYJSPI-GFCCVEGCSA-N 1 0 315.360 3.400 10 0 DGAERO CC(C)CCO[C@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000078602013 662078456 /nfs/dbraw/zinc/07/84/56/662078456.db2.gz DWSPMBDAUUSFCN-SJLPKXTDSA-N 1 0 319.445 3.255 10 0 DGAERO Cc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](C3CC3)CC1)[C@H](C)C2 ZINC000192817216 662112140 /nfs/dbraw/zinc/11/21/40/662112140.db2.gz WHHLOUXWIWGMQN-AUUYWEPGSA-N 1 0 312.457 3.219 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccnn1C ZINC000192852988 662112881 /nfs/dbraw/zinc/11/28/81/662112881.db2.gz DRFQACBFGPBVOO-OTYXRUKQSA-N 1 0 314.216 3.111 10 0 DGAERO O=C(OCC1CC1)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000192863604 662113330 /nfs/dbraw/zinc/11/33/30/662113330.db2.gz LCLUDTXTYNJMEQ-UHFFFAOYSA-N 1 0 319.401 3.477 10 0 DGAERO Fc1cccc(F)c1CN1CCC[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194439151 662165588 /nfs/dbraw/zinc/16/55/88/662165588.db2.gz SFVDOVLXZCHJGB-GJZGRUSLSA-N 1 0 322.399 3.212 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000194721360 662172036 /nfs/dbraw/zinc/17/20/36/662172036.db2.gz XBBJPFPRXVWEKN-NSHDSACASA-N 1 0 318.364 3.123 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000195176492 662179472 /nfs/dbraw/zinc/17/94/72/662179472.db2.gz PLDSPHRGJSDNTO-JFRXWTBNSA-N 1 0 321.461 3.015 10 0 DGAERO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc(C(F)(F)F)s1 ZINC000717905371 662197249 /nfs/dbraw/zinc/19/72/49/662197249.db2.gz MJGYEHLVGFXPLM-SECBINFHSA-N 1 0 303.353 3.394 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717937795 662210501 /nfs/dbraw/zinc/21/05/01/662210501.db2.gz MVBYARWBCGCKGV-VIFPVBQESA-N 1 0 308.369 3.332 10 0 DGAERO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C3OCCO3)cc2)CC1 ZINC000718328797 662252679 /nfs/dbraw/zinc/25/26/79/662252679.db2.gz KJCMMYKTJRQGSC-IRXDYDNUSA-N 1 0 305.418 3.169 10 0 DGAERO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000718350433 662253261 /nfs/dbraw/zinc/25/32/61/662253261.db2.gz DNPXPEMPEBSTJG-JSGCOSHPSA-N 1 0 313.239 3.281 10 0 DGAERO Clc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)s1 ZINC000718420966 662254904 /nfs/dbraw/zinc/25/49/04/662254904.db2.gz XBVYYTKEYHANDL-NEPJUHHUSA-N 1 0 302.896 3.071 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000718737363 662261136 /nfs/dbraw/zinc/26/11/36/662261136.db2.gz UPRRTWJFVSMCOG-SOUVJXGZSA-N 1 0 314.470 3.227 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000718845298 662263025 /nfs/dbraw/zinc/26/30/25/662263025.db2.gz VRUIJLNHTNEQRB-YTQUADARSA-N 1 0 304.478 3.444 10 0 DGAERO CCC[C@@H](CCO)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719224547 662271542 /nfs/dbraw/zinc/27/15/42/662271542.db2.gz UREGLGSSSCSWBF-JTQLQIEISA-N 1 0 321.284 3.102 10 0 DGAERO Cc1nc(C[NH2+]CCc2ccns2)sc1Br ZINC000719219378 662271599 /nfs/dbraw/zinc/27/15/99/662271599.db2.gz DLGRLJCWVCSENQ-UHFFFAOYSA-N 1 0 318.265 3.003 10 0 DGAERO CC[NH+](CC)CCCNCc1nc(C)c(Br)s1 ZINC000719222369 662271607 /nfs/dbraw/zinc/27/16/07/662271607.db2.gz XXZPGXSAVZPDNZ-UHFFFAOYSA-N 1 0 320.300 3.036 10 0 DGAERO Cc1nc(CN(C)CC[C@H]([NH3+])C(C)C)sc1Br ZINC000719258413 662272192 /nfs/dbraw/zinc/27/21/92/662272192.db2.gz UIYLRVJVSIVCFB-JTQLQIEISA-N 1 0 320.300 3.019 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CCS[C@@H]2C)sc1Br ZINC000719322234 662274023 /nfs/dbraw/zinc/27/40/23/662274023.db2.gz PMLKGNGGWHGELQ-HTQZYQBOSA-N 1 0 307.282 3.198 10 0 DGAERO CC[C@H](C)NC(=[NH2+])NCc1ccc(-c2ccccc2C#N)cc1 ZINC000090988611 662288605 /nfs/dbraw/zinc/28/86/05/662288605.db2.gz IOYACFYPVZKPPV-AWEZNQCLSA-N 1 0 306.413 3.428 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@H]2CCc3sc(Br)cc32)CCN1C ZINC000719644807 662295153 /nfs/dbraw/zinc/29/51/53/662295153.db2.gz HWRQMGOKXHDEPB-MIMYLULJSA-N 1 0 315.280 3.180 10 0 DGAERO C[NH2+]CCCCc1nc(-c2cc(Br)cs2)no1 ZINC000719685203 662295726 /nfs/dbraw/zinc/29/57/26/662295726.db2.gz BMTVMXIYYPQMHD-UHFFFAOYSA-N 1 0 316.224 3.103 10 0 DGAERO Oc1cccc(C[NH2+]CCOC(F)(F)C(F)(F)F)c1Cl ZINC000720268149 662307481 /nfs/dbraw/zinc/30/74/81/662307481.db2.gz LXUUDAVTRJOSPN-UHFFFAOYSA-N 1 0 319.657 3.307 10 0 DGAERO O[C@H](C[N@H+](C[C@H]1CCCO1)C1CCCC1)c1ccccc1F ZINC000247684331 662327352 /nfs/dbraw/zinc/32/73/52/662327352.db2.gz USQGTVFDOOTAKB-CRAIPNDOSA-N 1 0 307.409 3.283 10 0 DGAERO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000247702162 662327511 /nfs/dbraw/zinc/32/75/11/662327511.db2.gz YCPWCUBWOMDCHV-PVAVHDDUSA-N 1 0 319.445 3.305 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000248508437 662351043 /nfs/dbraw/zinc/35/10/43/662351043.db2.gz YDHHNJAPQLWITA-CUOATXAZSA-N 1 0 304.217 3.184 10 0 DGAERO CC(C)[C@H](C)[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000248606179 662354160 /nfs/dbraw/zinc/35/41/60/662354160.db2.gz CRUMIOBMWRUGKF-ILXRZTDVSA-N 1 0 314.470 3.035 10 0 DGAERO O=C(C[C@H]1CCCOC1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248674253 662357172 /nfs/dbraw/zinc/35/71/72/662357172.db2.gz WTMTXVJAPJAUFQ-QZTJIDSGSA-N 1 0 317.429 3.011 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(COC)cc2)[C@@H](C)C1 ZINC000248755968 662359008 /nfs/dbraw/zinc/35/90/08/662359008.db2.gz WIXZFDBZVPPJDV-WMLDXEAASA-N 1 0 319.449 3.027 10 0 DGAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)C12CCCC2 ZINC000248837132 662360199 /nfs/dbraw/zinc/36/01/99/662360199.db2.gz KHOFYHBNRZEGIH-OWCLPIDISA-N 1 0 321.461 3.142 10 0 DGAERO Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc(C)c1O ZINC000381670058 685158519 /nfs/dbraw/zinc/15/85/19/685158519.db2.gz BTOZULCEAGTRTF-KGLIPLIRSA-N 1 0 322.449 3.400 10 0 DGAERO CSCCCC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000382405589 685163399 /nfs/dbraw/zinc/16/33/99/685163399.db2.gz ANLWEWGDIJVXSL-KBPBESRZSA-N 1 0 316.511 3.413 10 0 DGAERO C[C@@H]1CC[N@H+](CC2(O)CCCCC2)CCN1Cc1ccccc1 ZINC000382654911 685164567 /nfs/dbraw/zinc/16/45/67/685164567.db2.gz HHRJWFUDOONCCI-GOSISDBHSA-N 1 0 316.489 3.278 10 0 DGAERO C[C@H](CCc1ccccc1)[NH2+]Cc1nc(Br)c[nH]1 ZINC000385797918 685174515 /nfs/dbraw/zinc/17/45/15/685174515.db2.gz CFCOGBIXZDIJKR-LLVKDONJSA-N 1 0 308.223 3.283 10 0 DGAERO COc1c(C)cnc(C[NH2+]CCOCc2ccccc2)c1C ZINC000390048181 685198996 /nfs/dbraw/zinc/19/89/96/685198996.db2.gz DWAVJTYODVGGCS-UHFFFAOYSA-N 1 0 300.402 3.013 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccn1 ZINC000391170052 685210124 /nfs/dbraw/zinc/21/01/24/685210124.db2.gz GUKLZSMMROTFSE-XJKSGUPXSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@]1(C[NH2+]C[C@H](O)c2ccccc2)CCCN1Cc1ccccc1 ZINC000398007022 685234265 /nfs/dbraw/zinc/23/42/65/685234265.db2.gz YKWXPIKDHURPLB-LEWJYISDSA-N 1 0 324.468 3.364 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000398107412 685235579 /nfs/dbraw/zinc/23/55/79/685235579.db2.gz BYNXMFKTYCGCKJ-RWMBFGLXSA-N 1 0 318.408 3.457 10 0 DGAERO Oc1ccc(Br)c(C[NH2+]CCCOCC2CC2)c1 ZINC000126288108 1176033478 /nfs/dbraw/zinc/03/34/78/1176033478.db2.gz DTQBUMVVPJOEOR-UHFFFAOYSA-N 1 0 314.223 3.061 10 0 DGAERO Cc1sc(C[NH2+]CCN2CCCC2)cc1Br ZINC000227774297 1176546343 /nfs/dbraw/zinc/54/63/43/1176546343.db2.gz YIZILCXDUNNSID-UHFFFAOYSA-N 1 0 303.269 3.004 10 0 DGAERO Cc1sc(CNCCC[NH+]2CCCC2)cc1Br ZINC000227774412 1176546624 /nfs/dbraw/zinc/54/66/24/1176546624.db2.gz XFBNHGPOKPGPJJ-UHFFFAOYSA-N 1 0 317.296 3.395 10 0 DGAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000393340440 1176603575 /nfs/dbraw/zinc/60/35/75/1176603575.db2.gz ZWHSYGZQSJQAIN-VXGBXAGGSA-N 1 0 314.271 3.487 10 0 DGAERO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1cc(Br)cs1 ZINC000393916121 1176711686 /nfs/dbraw/zinc/71/16/86/1176711686.db2.gz ITZDQYBSWKCKBB-JOYOIKCWSA-N 1 0 303.269 3.035 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2Br)[C@H](C)O1 ZINC000394918962 1176755345 /nfs/dbraw/zinc/75/53/45/1176755345.db2.gz RKPHQBGPCNMJAK-ZDMBXUJBSA-N 1 0 302.187 3.244 10 0 DGAERO CCN(CC[NH2+]Cc1ccc(Br)cc1C)C1CC1 ZINC000395245679 1176759807 /nfs/dbraw/zinc/75/98/07/1176759807.db2.gz WGVRHDVWNSLIBZ-UHFFFAOYSA-N 1 0 311.267 3.331 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1ccc(C)c(Br)c1 ZINC000398474464 1176791852 /nfs/dbraw/zinc/79/18/52/1176791852.db2.gz SCNNOHIZZZTXHA-CYBMUJFWSA-N 1 0 300.240 3.398 10 0 DGAERO C[NH+](C)C1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000397979212 1177014751 /nfs/dbraw/zinc/01/47/51/1177014751.db2.gz KFCUFLSWHJUVHS-UHFFFAOYSA-N 1 0 304.177 3.408 10 0 DGAERO O=[N+]([O-])c1ccccc1N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398419165 1177019294 /nfs/dbraw/zinc/01/92/94/1177019294.db2.gz XPTILJWVLJTDBW-HWWDLCQESA-N 1 0 309.369 3.137 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1ccc(Br)cc1F ZINC000398501427 1177020897 /nfs/dbraw/zinc/02/08/97/1177020897.db2.gz JJLGQAXEBAECRQ-LBPRGKRZSA-N 1 0 304.203 3.229 10 0 DGAERO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)ONC(=O)OC(C)(C)C ZINC000398703131 1177028063 /nfs/dbraw/zinc/02/80/63/1177028063.db2.gz SEKVBYFJFDWSKH-MJBXVCDLSA-N 1 0 300.443 3.246 10 0 DGAERO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1C)ONC(=O)OC(C)(C)C ZINC000398703128 1177028093 /nfs/dbraw/zinc/02/80/93/1177028093.db2.gz SEKVBYFJFDWSKH-MCIONIFRSA-N 1 0 300.443 3.246 10 0 DGAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398711644 1177028155 /nfs/dbraw/zinc/02/81/55/1177028155.db2.gz VPUZOSZUIKGKCK-IHRRRGAJSA-N 1 0 302.459 3.492 10 0 DGAERO CC[C@H](C)[C@@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000381112238 1177336961 /nfs/dbraw/zinc/33/69/61/1177336961.db2.gz CGTTXALLXAOERF-RRFJBIMHSA-N 1 0 316.486 3.331 10 0 DGAERO COc1cc(Br)c(C[NH2+]CCC(F)F)cc1OC ZINC000386583372 1177408329 /nfs/dbraw/zinc/40/83/29/1177408329.db2.gz AVPYVKVKNNWHTL-UHFFFAOYSA-N 1 0 324.165 3.211 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085355647 1177643779 /nfs/dbraw/zinc/64/37/79/1177643779.db2.gz NNSAHVKXMKGTEV-NWDGAFQWSA-N 1 0 311.223 3.214 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1COc2ccccc2C1 ZINC000336896539 1177700620 /nfs/dbraw/zinc/70/06/20/1177700620.db2.gz NYINLQUOYUJNKS-LJQANCHMSA-N 1 0 319.408 3.025 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000085368078 1177712264 /nfs/dbraw/zinc/71/22/64/1177712264.db2.gz SHRGKYKIAHOPCE-CVEARBPZSA-N 1 0 306.837 3.349 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085366843 1177712491 /nfs/dbraw/zinc/71/24/91/1177712491.db2.gz ZYMNAARVWMGPAJ-VXGBXAGGSA-N 1 0 300.855 3.268 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000085374802 1177713406 /nfs/dbraw/zinc/71/34/06/1177713406.db2.gz MIXFAWZTTMWUAZ-MWLCHTKSSA-N 1 0 304.287 3.301 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNCc1cc(F)cc(Br)c1 ZINC000219691120 1178025497 /nfs/dbraw/zinc/02/54/97/1178025497.db2.gz RYKWZGVMXPPRMS-NSHDSACASA-N 1 0 317.246 3.408 10 0 DGAERO CC(=O)c1ccc(NC(=O)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000047409712 1194411609 /nfs/dbraw/zinc/41/16/09/1194411609.db2.gz SAXLEQWFDKAAPJ-UHFFFAOYSA-N 1 0 302.418 3.196 10 0 DGAERO CC(C)(C)c1ncc(C[NH2+]C2CCC3(CC2)OCCO3)s1 ZINC000067975027 1195686728 /nfs/dbraw/zinc/68/67/28/1195686728.db2.gz BKXPAHOKFOFYHU-UHFFFAOYSA-N 1 0 310.463 3.216 10 0 DGAERO c1c(CNCc2ccc(C[NH+]3CCCC3)cc2)nc2ccccn12 ZINC000072980527 1196124894 /nfs/dbraw/zinc/12/48/94/1196124894.db2.gz VXHKJBFXUKKZQI-UHFFFAOYSA-N 1 0 320.440 3.220 10 0 DGAERO O=C(C[NH2+]Cc1csc2ccccc12)NCc1ccccc1 ZINC000075800491 1196423212 /nfs/dbraw/zinc/42/32/12/1196423212.db2.gz HPZJBXKELPVSEG-UHFFFAOYSA-N 1 0 310.422 3.307 10 0 DGAERO COc1cccc(C[NH2+]CCCCNc2ccccn2)c1OC ZINC000078847704 1196802876 /nfs/dbraw/zinc/80/28/76/1196802876.db2.gz QMNUSAMZSRODDA-UHFFFAOYSA-N 1 0 315.417 3.081 10 0 DGAERO C[C@H](CCNCc1cnn2ccccc12)[N@H+](C)Cc1ccccc1 ZINC000080234665 1197050349 /nfs/dbraw/zinc/05/03/49/1197050349.db2.gz IRDAGIOIHASBCD-QGZVFWFLSA-N 1 0 322.456 3.335 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC000081477268 1197224014 /nfs/dbraw/zinc/22/40/14/1197224014.db2.gz SXLDMEJNSPLYPY-UONOGXRCSA-N 1 0 311.495 3.051 10 0 DGAERO c1csc(-c2ncc(C[NH2+]CCCn3ccnc3)s2)c1 ZINC000083446977 1197429143 /nfs/dbraw/zinc/42/91/43/1197429143.db2.gz NNDIJCPHUGBVKH-UHFFFAOYSA-N 1 0 304.444 3.248 10 0 DGAERO Cc1nn(C)c(C)c1C[NH2+]CCc1ccc(Br)cc1 ZINC000388661410 1197695254 /nfs/dbraw/zinc/69/52/54/1197695254.db2.gz OIGVMLRAUWLFEC-UHFFFAOYSA-N 1 0 322.250 3.132 10 0 DGAERO C[C@@H](CCCO)C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000384296961 1197706763 /nfs/dbraw/zinc/70/67/63/1197706763.db2.gz AOTKCORIOXTUHL-AWEZNQCLSA-N 1 0 316.486 3.020 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCOc1ccccc1 ZINC000389860533 1197711537 /nfs/dbraw/zinc/71/15/37/1197711537.db2.gz GRFYEWRNNYMFLE-YLJYHZDGSA-N 1 0 310.441 3.176 10 0 DGAERO c1cn(CCC[NH2+]Cc2cnn3ccccc23)c2ccccc12 ZINC000393496577 1197719575 /nfs/dbraw/zinc/71/95/75/1197719575.db2.gz HBQYWJNTJSJAAG-UHFFFAOYSA-N 1 0 304.397 3.469 10 0 DGAERO COc1ccc2oc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)cc2c1 ZINC000093479945 1198697116 /nfs/dbraw/zinc/69/71/16/1198697116.db2.gz OMXWQFMDZCYUEE-NCNPBXTDSA-N 1 0 301.386 3.034 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]CCn1cc(Br)cn1 ZINC000401509678 1199406463 /nfs/dbraw/zinc/40/64/63/1199406463.db2.gz VADBWUBLZPHSGT-CHWSQXEVSA-N 1 0 314.271 3.452 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403484582 1199499662 /nfs/dbraw/zinc/49/96/62/1199499662.db2.gz SZFFPEFFHYYPFI-FJIDUMEYSA-N 1 0 314.429 3.176 10 0 DGAERO CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404762931 1199583553 /nfs/dbraw/zinc/58/35/53/1199583553.db2.gz JXQNHNIEYGVVEN-UONOGXRCSA-N 1 0 314.470 3.083 10 0 DGAERO COc1ccc(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000304682976 1199668771 /nfs/dbraw/zinc/66/87/71/1199668771.db2.gz YTJJGEODOYXRIR-UHFFFAOYSA-N 1 0 322.449 3.478 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCOc2cccnc2)cc1Cl ZINC000114507406 1199702765 /nfs/dbraw/zinc/70/27/65/1199702765.db2.gz CLVPCPLXRMBYFG-UHFFFAOYSA-N 1 0 318.804 3.468 10 0 DGAERO C[C@@H](C[NH2+]CCn1cc(Br)cn1)C1CCCCC1 ZINC000311192954 1199736074 /nfs/dbraw/zinc/73/60/74/1199736074.db2.gz DISQCAPDADYBEY-LBPRGKRZSA-N 1 0 314.271 3.452 10 0 DGAERO c1ccc2[nH]c(CCC[NH2+]Cc3ccc4c(c3)OCCO4)nc2c1 ZINC000120865684 1200179238 /nfs/dbraw/zinc/17/92/38/1200179238.db2.gz PLWBFIREANAQGS-UHFFFAOYSA-N 1 0 323.396 3.057 10 0 DGAERO CC1(C)[C@H]([NH2+]C2CC(c3ccccc3Br)C2)C[C@@H]1O ZINC000128339950 1200770089 /nfs/dbraw/zinc/77/00/89/1200770089.db2.gz DIJLOZIQTOBPMF-FBDPFYNOSA-N 1 0 324.262 3.444 10 0 DGAERO OCc1ccc(C[NH2+]Cc2ccc(Br)c(F)c2)cc1 ZINC000227459424 1201107476 /nfs/dbraw/zinc/10/74/76/1201107476.db2.gz IRRCNWUCYFXXRR-UHFFFAOYSA-N 1 0 324.193 3.370 10 0 DGAERO c1cncc(-c2cccc(C[NH2+]CCOC[C@H]3CCCO3)c2)c1 ZINC000132757072 1201181670 /nfs/dbraw/zinc/18/16/70/1201181670.db2.gz LRLJVFAQIYUBPN-LJQANCHMSA-N 1 0 312.413 3.034 10 0 DGAERO c1nc(C2CC2)sc1C[NH2+]CCCCNc1ccccn1 ZINC000134276240 1201198779 /nfs/dbraw/zinc/19/87/79/1201198779.db2.gz KUEXHELGSVHFIS-UHFFFAOYSA-N 1 0 302.447 3.397 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000135964624 1201207997 /nfs/dbraw/zinc/20/79/97/1201207997.db2.gz LYIGAQXXOVAEBH-OAHLLOKOSA-N 1 0 310.482 3.153 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000195172608 1201493216 /nfs/dbraw/zinc/49/32/16/1201493216.db2.gz OPNVDUCCEJZXOK-DAYGRLMNSA-N 1 0 308.466 3.365 10 0 DGAERO CN(CC[NH2+]Cc1c[nH]nc1-c1ccccc1)Cc1ccccc1 ZINC000139957550 1202462555 /nfs/dbraw/zinc/46/25/55/1202462555.db2.gz FEXTYZRNFNTKCO-UHFFFAOYSA-N 1 0 320.440 3.298 10 0 DGAERO COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000222029983 1202568088 /nfs/dbraw/zinc/56/80/88/1202568088.db2.gz XGXCMLCHPWBFOP-UHFFFAOYSA-N 1 0 322.449 3.350 10 0 DGAERO c1nc2cnccn2c1C[NH2+]CCOc1cccc2ccccc21 ZINC000156638954 1202601052 /nfs/dbraw/zinc/60/10/52/1202601052.db2.gz ISPAGQFAHPJXOT-UHFFFAOYSA-N 1 0 318.380 3.051 10 0 DGAERO CC1(C[NH2+]Cc2ccc(I)cc2)CC1 ZINC000232936322 1202602164 /nfs/dbraw/zinc/60/21/64/1202602164.db2.gz IOKZCCLTHBFQNC-UHFFFAOYSA-N 1 0 301.171 3.181 10 0 DGAERO c1[nH]nc2cc(C[NH2+]CCCN3CCc4ccccc4C3)ccc12 ZINC000236723109 1202622245 /nfs/dbraw/zinc/62/22/45/1202622245.db2.gz IPODDTOCBBKAHJ-UHFFFAOYSA-N 1 0 320.440 3.101 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1Cl ZINC000236841367 1202627891 /nfs/dbraw/zinc/62/78/91/1202627891.db2.gz NJRVKDLEVKRZHM-HNNXBMFYSA-N 1 0 308.853 3.479 10 0 DGAERO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)C1CCCCC1 ZINC000237887548 1202764549 /nfs/dbraw/zinc/76/45/49/1202764549.db2.gz VMOLAXHREBWART-INMHGKMJSA-N 1 0 322.399 3.092 10 0 DGAERO C[N@@H+](Cc1cc(Br)cs1)CC1CCC(O)CC1 ZINC000258989544 1203128078 /nfs/dbraw/zinc/12/80/78/1203128078.db2.gz VKSUEXNAUAYALZ-UHFFFAOYSA-N 1 0 318.280 3.494 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCOc2ccc3c(c2)OCO3)cc1 ZINC000178505525 1204114440 /nfs/dbraw/zinc/11/44/40/1204114440.db2.gz IQHCPFRMQSKKOS-CYBMUJFWSA-N 1 0 315.369 3.154 10 0 DGAERO CC(C)=CC(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705908214 1081805438 /nfs/dbraw/zinc/80/54/38/1081805438.db2.gz OIRSHMPTDPWKFS-WOJBJXKFSA-N 1 0 312.457 3.323 10 0 DGAERO C[C@@H](C[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)C(C)(C)C ZINC000705914204 1081806145 /nfs/dbraw/zinc/80/61/45/1081806145.db2.gz WVMKCPNFTYOANH-AWEZNQCLSA-N 1 0 316.486 3.142 10 0 DGAERO Cc1cccnc1/C=C\C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000588454984 1082331932 /nfs/dbraw/zinc/33/19/32/1082331932.db2.gz CNNVVTWPQSMPKW-XKTUUDKPSA-N 1 0 315.461 3.030 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)/C=C\c1ccnc(Cl)c1 ZINC000588463484 1082361520 /nfs/dbraw/zinc/36/15/20/1082361520.db2.gz YBHNZHAEFWJHRG-FPLPWBNLSA-N 1 0 323.868 3.329 10 0 DGAERO C/C(=C/C(C)(C)C)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000588497209 1082487208 /nfs/dbraw/zinc/48/72/08/1082487208.db2.gz IVXYVRYOQJLOSC-SQFISAMPSA-N 1 0 300.446 3.153 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCCC2(F)F)C1 ZINC000398148580 1083656410 /nfs/dbraw/zinc/65/64/10/1083656410.db2.gz OTSPYEUGWXOPEE-QWHCGFSZSA-N 1 0 318.408 3.411 10 0 DGAERO Cc1cccc(-c2noc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)n2)c1 ZINC000152823771 1083909826 /nfs/dbraw/zinc/90/98/26/1083909826.db2.gz SFZSOQNCJJBXAA-CVEARBPZSA-N 1 0 313.401 3.046 10 0 DGAERO Brc1cc(C[NH2+]C[C@@H]2C=CCC2)cc2c1OCCO2 ZINC000711705029 1085523234 /nfs/dbraw/zinc/52/32/34/1085523234.db2.gz VKHLZTSPUCOCLK-LLVKDONJSA-N 1 0 324.218 3.276 10 0 DGAERO CC(C)CC1(C[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000712482920 1085737153 /nfs/dbraw/zinc/73/71/53/1085737153.db2.gz QXHMTTZPRIMCRX-UHFFFAOYSA-N 1 0 300.244 3.099 10 0 DGAERO CC(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)=C1CCCC1 ZINC000176569344 1087997506 /nfs/dbraw/zinc/99/75/06/1087997506.db2.gz RXICGNZNOSHOAB-GOSISDBHSA-N 1 0 300.446 3.166 10 0 DGAERO C[C@H](C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000176584421 1088035652 /nfs/dbraw/zinc/03/56/52/1088035652.db2.gz BVFITLOCWBSCNZ-DOTOQJQBSA-N 1 0 301.430 3.488 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]C[C@@H]3CCC=CO3)CCC[C@H]12 ZINC000711640243 1091328915 /nfs/dbraw/zinc/32/89/15/1091328915.db2.gz NWHNVEIKYKCQQX-RLFYNMQTSA-N 1 0 322.449 3.201 10 0 DGAERO CSC1CCC(CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC1 ZINC000720586598 1093416834 /nfs/dbraw/zinc/41/68/34/1093416834.db2.gz AMJWYUGRUBLQIU-RUXDESIVSA-N 1 0 300.512 3.034 10 0 DGAERO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)nn1 ZINC000720616095 1093874195 /nfs/dbraw/zinc/87/41/95/1093874195.db2.gz OLRTXQIMFFUMTO-MGPUTAFESA-N 1 0 324.472 3.094 10 0 DGAERO Cc1nocc1C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400326258 1093885944 /nfs/dbraw/zinc/88/59/44/1093885944.db2.gz CKMBXYVYPVYVCB-GFCCVEGCSA-N 1 0 323.437 3.108 10 0 DGAERO Cc1cnc(C[NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000400716128 1093910219 /nfs/dbraw/zinc/91/02/19/1093910219.db2.gz NIRMTQZIIQXYLK-CYBMUJFWSA-N 1 0 323.437 3.108 10 0 DGAERO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000401666834 1093963147 /nfs/dbraw/zinc/96/31/47/1093963147.db2.gz IHGZTUJPQSKATL-RBSFLKMASA-N 1 0 319.449 3.378 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000401666358 1093963650 /nfs/dbraw/zinc/96/36/50/1093963650.db2.gz HUFPEEKZOALHOK-CJNGLKHVSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]C2CCSCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401707166 1093966489 /nfs/dbraw/zinc/96/64/89/1093966489.db2.gz BREMNNRVEHXNIV-GXTWGEPZSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H]1C[C@H]([NH2+]C2CCSCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401707168 1093966931 /nfs/dbraw/zinc/96/69/31/1093966931.db2.gz BREMNNRVEHXNIV-JSGCOSHPSA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)(C)OC(=O)N(CCC[NH2+]Cc1ccns1)C1CC1 ZINC000404440886 1094258906 /nfs/dbraw/zinc/25/89/06/1094258906.db2.gz WQJNNMWKVULTEM-UHFFFAOYSA-N 1 0 311.451 3.022 10 0 DGAERO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccns1 ZINC000404455612 1094258955 /nfs/dbraw/zinc/25/89/55/1094258955.db2.gz PDZTZXPJGNCOLI-GFCCVEGCSA-N 1 0 313.467 3.172 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CO2)C12CCC2 ZINC000404594584 1094262764 /nfs/dbraw/zinc/26/27/64/1094262764.db2.gz ADDSTLOFEWKQCZ-RBSFLKMASA-N 1 0 322.449 3.105 10 0 DGAERO C[C@@H]1OC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)[C@@H]1C ZINC000405805847 1094437510 /nfs/dbraw/zinc/43/75/10/1094437510.db2.gz WNEPRNOMJJAEFV-VYDRJQSISA-N 1 0 302.462 3.053 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc2c1OCO2 ZINC000316884917 1095197884 /nfs/dbraw/zinc/19/78/84/1095197884.db2.gz AVBYNRVSXKSGQC-OAHLLOKOSA-N 1 0 303.402 3.387 10 0 DGAERO CCC[NH2+][C@H](CNC(=O)c1cscc1C(F)F)C(C)C ZINC000722125195 1098638034 /nfs/dbraw/zinc/63/80/34/1098638034.db2.gz XDPDVOLDQWJZRP-GFCCVEGCSA-N 1 0 304.406 3.440 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+]CC(=O)NCc2ccccc2)s1 ZINC000378865981 1107996124 /nfs/dbraw/zinc/99/61/24/1107996124.db2.gz AQNOMKAIJPCNSU-UHFFFAOYSA-N 1 0 316.470 3.452 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2Br)[C@@H](C)O1 ZINC000384704567 1108304797 /nfs/dbraw/zinc/30/47/97/1108304797.db2.gz FJKYKELXGOMQFT-KBVBSXBZSA-N 1 0 302.187 3.244 10 0 DGAERO CC/C=C/C[NH2+]Cc1cccc(I)c1 ZINC000384745623 1108310472 /nfs/dbraw/zinc/31/04/72/1108310472.db2.gz MWXGCTNDSHAIIX-ONEGZZNKSA-N 1 0 301.171 3.347 10 0 DGAERO C[C@H](CCNCc1ccc(Br)c(F)c1F)[NH+](C)C ZINC000701007972 1108885534 /nfs/dbraw/zinc/88/55/34/1108885534.db2.gz PRIGMJPXUCQVHO-SECBINFHSA-N 1 0 321.209 3.157 10 0 DGAERO N#Cc1ccc(NCC[N@H+]2CC=CCC2)c(F)c1Br ZINC000392777128 1108920095 /nfs/dbraw/zinc/92/00/95/1108920095.db2.gz DQOZQGLGLMMTGR-UHFFFAOYSA-N 1 0 324.197 3.134 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)Oc1ccc(SC)cc1 ZINC000077000491 185065148 /nfs/dbraw/zinc/06/51/48/185065148.db2.gz XCMQGKBBUBTWIM-KGLIPLIRSA-N 1 0 324.490 3.022 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3[nH]c(C)cc3c2)C1 ZINC000062652199 432003744 /nfs/dbraw/zinc/00/37/44/432003744.db2.gz VPLXHGQFMLJYEB-HNNXBMFYSA-N 1 0 300.406 3.082 10 0 DGAERO CCC[NH2+]Cc1sc(-c2cccc(OC)c2)nc1COC ZINC000082446383 185183541 /nfs/dbraw/zinc/18/35/41/185183541.db2.gz VEQAXXQAERCSSG-UHFFFAOYSA-N 1 0 306.431 3.465 10 0 DGAERO COCc1nc(COc2ccccc2)sc1C[NH2+]C(C)C ZINC000082445506 185183663 /nfs/dbraw/zinc/18/36/63/185183663.db2.gz MLYVBGMKAQUIGS-UHFFFAOYSA-N 1 0 306.431 3.367 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1F ZINC000079526563 185173788 /nfs/dbraw/zinc/17/37/88/185173788.db2.gz ZTICXLWSPDIWBA-JTQLQIEISA-N 1 0 320.330 3.305 10 0 DGAERO Cc1cnc([C@H](C)NC2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000323384338 231215072 /nfs/dbraw/zinc/21/50/72/231215072.db2.gz HFYBSNSECJIZOI-INIZCTEOSA-N 1 0 313.445 3.341 10 0 DGAERO c1cnc(N2CCC[C@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)nc1 ZINC000321797003 231204690 /nfs/dbraw/zinc/20/46/90/231204690.db2.gz XIYUSWWIFKANKR-SFHVURJKSA-N 1 0 308.429 3.113 10 0 DGAERO c1nn2ccccc2c1C[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328641477 231276297 /nfs/dbraw/zinc/27/62/97/231276297.db2.gz XYKXZQPWGLHSDG-VQIMIIECSA-N 1 0 307.397 3.202 10 0 DGAERO COc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)c2ccccc12 ZINC000129350279 432004733 /nfs/dbraw/zinc/00/47/33/432004733.db2.gz SMWUCPFRXZWVBB-ZSEKCTLFSA-N 1 0 305.443 3.095 10 0 DGAERO CCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)oc1CC ZINC000162346790 529511104 /nfs/dbraw/zinc/51/11/04/529511104.db2.gz SMBJLJTUQHVNGS-ZFWWWQNUSA-N 1 0 306.450 3.207 10 0 DGAERO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC2(C)CCC2)cc1 ZINC000090219923 185287113 /nfs/dbraw/zinc/28/71/13/185287113.db2.gz LDFJKYDUPPRGLG-CYBMUJFWSA-N 1 0 310.463 3.289 10 0 DGAERO C[NH+](C)CCCc1ccc(-c2c[nH]c(=O)c3cccc(O)c32)cc1 ZINC000090502520 185299369 /nfs/dbraw/zinc/29/93/69/185299369.db2.gz FXXHQUAXNZBQGK-UHFFFAOYSA-N 1 0 322.408 3.395 10 0 DGAERO O=C(N[C@H]1CCC[NH2+][C@@H]1c1ccccc1)OCc1ccccc1 ZINC000090635679 185307666 /nfs/dbraw/zinc/30/76/66/185307666.db2.gz XOUCHQGRBSRRES-ZWKOTPCHSA-N 1 0 310.397 3.406 10 0 DGAERO CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000129542050 432006337 /nfs/dbraw/zinc/00/63/37/432006337.db2.gz LTZWUFAFAVUDCA-VVLHAWIVSA-N 1 0 309.498 3.327 10 0 DGAERO c1ncn(C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)n1 ZINC000092648007 185331296 /nfs/dbraw/zinc/33/12/96/185331296.db2.gz QEWRNVHJEBXPRV-UHFFFAOYSA-N 1 0 319.412 3.177 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000092708250 185335256 /nfs/dbraw/zinc/33/52/56/185335256.db2.gz RBDNAGHUBWKECZ-OAHLLOKOSA-N 1 0 300.402 3.314 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000092708315 185335368 /nfs/dbraw/zinc/33/53/68/185335368.db2.gz RMSKRXDRMRKMLS-KRWDZBQOSA-N 1 0 318.461 3.193 10 0 DGAERO CCn1cc(C[NH+]2CCC(Cc3ccc(OC)cc3)CC2)cn1 ZINC000092781390 185340199 /nfs/dbraw/zinc/34/01/99/185340199.db2.gz MXWZDSOKHYZWGM-UHFFFAOYSA-N 1 0 313.445 3.366 10 0 DGAERO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)o1 ZINC000092788939 185341260 /nfs/dbraw/zinc/34/12/60/185341260.db2.gz MFUXHDGJMBAZEM-LBPRGKRZSA-N 1 0 320.414 3.292 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)cn1 ZINC000092809398 185342811 /nfs/dbraw/zinc/34/28/11/185342811.db2.gz KRROFRZPTCCSEE-UHFFFAOYSA-N 1 0 315.465 3.234 10 0 DGAERO c1cc2c(cccc2C[N@H+]2CC[C@@H](CNc3ccccn3)C2)[nH]1 ZINC000092812943 185343122 /nfs/dbraw/zinc/34/31/22/185343122.db2.gz IVDWTHQMIJQTTR-HNNXBMFYSA-N 1 0 306.413 3.497 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCOC2=O)cc1 ZINC000181406505 199291836 /nfs/dbraw/zinc/29/18/36/199291836.db2.gz AFCNTZOGMWURCJ-GOEBONIOSA-N 1 0 305.418 3.325 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1cccnc1 ZINC000181404171 199291963 /nfs/dbraw/zinc/29/19/63/199291963.db2.gz RDCSSYOZLKEDAU-AWEZNQCLSA-N 1 0 311.429 3.496 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC(C)C)cc1 ZINC000181394887 199290510 /nfs/dbraw/zinc/29/05/10/199290510.db2.gz AMBWQTPQDPVIMW-NVXWUHKLSA-N 1 0 309.450 3.158 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2ccccc2)cc1 ZINC000181426805 199294954 /nfs/dbraw/zinc/29/49/54/199294954.db2.gz PPTTZLLJKSDDPY-OXJNMPFZSA-N 1 0 321.424 3.262 10 0 DGAERO CCc1nc(C)c(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)s1 ZINC000445180007 529727548 /nfs/dbraw/zinc/72/75/48/529727548.db2.gz VRNJXXRDBIVHQF-UHFFFAOYSA-N 1 0 324.494 3.257 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCc2ccccn2)cc1OC ZINC000181485516 199305411 /nfs/dbraw/zinc/30/54/11/199305411.db2.gz QUDVZPSBFMVOKY-AWEZNQCLSA-N 1 0 300.402 3.382 10 0 DGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC1CCCCC1 ZINC000129912477 432010273 /nfs/dbraw/zinc/01/02/73/432010273.db2.gz AUVGCXVNWXZVDK-UHFFFAOYSA-N 1 0 315.866 3.413 10 0 DGAERO c1cnc(Oc2ccc(C[N@@H+]3CCCSCC3)cc2)cn1 ZINC000272736000 210140634 /nfs/dbraw/zinc/14/06/34/210140634.db2.gz HONQZMMVUZQLMY-UHFFFAOYSA-N 1 0 301.415 3.208 10 0 DGAERO CCOC(=O)CCCCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181752372 199346992 /nfs/dbraw/zinc/34/69/92/199346992.db2.gz KIQITDYWOQMIAZ-AWEZNQCLSA-N 1 0 321.417 3.232 10 0 DGAERO CCOC(=O)CCCCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000181752391 199347296 /nfs/dbraw/zinc/34/72/96/199347296.db2.gz KIQITDYWOQMIAZ-CQSZACIVSA-N 1 0 321.417 3.232 10 0 DGAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc2cc(Cl)ccc2o1 ZINC000181936991 199364897 /nfs/dbraw/zinc/36/48/97/199364897.db2.gz GJEBJYNNNYEJJV-GWCFXTLKSA-N 1 0 316.792 3.343 10 0 DGAERO COC(=O)c1ccc(Cl)c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181965463 199367651 /nfs/dbraw/zinc/36/76/51/199367651.db2.gz NMRQCTDZMNJQTI-DOMZBBRYSA-N 1 0 324.852 3.041 10 0 DGAERO C[C@H](Cc1ccccc1F)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130068215 432015041 /nfs/dbraw/zinc/01/50/41/432015041.db2.gz OIGIILXUIFAQJB-HPUBIQBYSA-N 1 0 320.452 3.241 10 0 DGAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391540 432015259 /nfs/dbraw/zinc/01/52/59/432015259.db2.gz PNQBNRBEOAUOFH-DCAQKATOSA-N 1 0 300.805 3.433 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(CC)CCCC2)[C@@H](C)C1 ZINC000130176797 432017181 /nfs/dbraw/zinc/01/71/81/432017181.db2.gz BAXZTDGIAFUFCZ-HOTGVXAUSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@H]([NH2+]Cc1cccs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279667255 215046207 /nfs/dbraw/zinc/04/62/07/215046207.db2.gz FFFMBZZVOOFDCR-QWHCGFSZSA-N 1 0 310.463 3.483 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000279678837 215056678 /nfs/dbraw/zinc/05/66/78/215056678.db2.gz GTCKJTWSWYYKOV-OFQRWUPVSA-N 1 0 319.449 3.378 10 0 DGAERO CC(C)c1csc([C@H]2CCCN(Cc3csnn3)C2)n1 ZINC000130215530 432018090 /nfs/dbraw/zinc/01/80/90/432018090.db2.gz CRAYPBCTLSAINS-NSHDSACASA-N 1 0 308.476 3.498 10 0 DGAERO Cc1ccc(C(C)C)c2c1[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCO2 ZINC000130256910 432019634 /nfs/dbraw/zinc/01/96/34/432019634.db2.gz UZFFJGLPJMKWJZ-GOEBONIOSA-N 1 0 316.445 3.152 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H]2CCc3cc(Br)ccc32)c1 ZINC000123883768 185852325 /nfs/dbraw/zinc/85/23/25/185852325.db2.gz NEBSVOPALUBCPG-OAHLLOKOSA-N 1 0 320.234 3.231 10 0 DGAERO CC(C)[NH+](CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C)C(C)C ZINC000471481794 535067060 /nfs/dbraw/zinc/06/70/60/535067060.db2.gz VZGOJGMHKIVHOV-QWHCGFSZSA-N 1 0 323.403 3.088 10 0 DGAERO CCc1cnc(CC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000130311200 432020548 /nfs/dbraw/zinc/02/05/48/432020548.db2.gz VNAOVZAXZNDDMS-GTJPDFRWSA-N 1 0 322.499 3.336 10 0 DGAERO CCc1cc(N2CCC([NH3+])CC2)nc(-c2cccc(Cl)c2)n1 ZINC000070451868 190894592 /nfs/dbraw/zinc/89/45/92/190894592.db2.gz DNBJMMWUNMIQNQ-UHFFFAOYSA-N 1 0 316.836 3.287 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000080482276 192161115 /nfs/dbraw/zinc/16/11/15/192161115.db2.gz ZHWHOCFLXNQKJT-AWEZNQCLSA-N 1 0 321.490 3.275 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(F)c2Cl)[C@H](C)C1 ZINC000080448671 192158446 /nfs/dbraw/zinc/15/84/46/192158446.db2.gz WEKHLOPEALKZPR-BXUZGUMPSA-N 1 0 312.816 3.281 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](c2nc(-c3cccc(Br)c3)no2)C1 ZINC000070557321 190906796 /nfs/dbraw/zinc/90/67/96/190906796.db2.gz DEIPUPFINLKYJF-PWSUYJOCSA-N 1 0 322.206 3.484 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[NH+](C)C ZINC000130351260 432022038 /nfs/dbraw/zinc/02/20/38/432022038.db2.gz QXXYELXTEOTADU-LBPRGKRZSA-N 1 0 310.348 3.169 10 0 DGAERO CCc1cnc(CC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)s1 ZINC000130372138 432022662 /nfs/dbraw/zinc/02/26/62/432022662.db2.gz VZAXEOIGWNJBAQ-NSHDSACASA-N 1 0 304.415 3.328 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000084063083 192398553 /nfs/dbraw/zinc/39/85/53/192398553.db2.gz ANFYORAWUAASFP-CMPLNLGQSA-N 1 0 309.479 3.020 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000084062888 192399701 /nfs/dbraw/zinc/39/97/01/192399701.db2.gz WRRDGIJUXLRSAZ-KOLCDFICSA-N 1 0 301.217 3.265 10 0 DGAERO CCC[N@H+](CCC(=O)Nc1ccccc1F)C[C@H]1CCCCO1 ZINC000106866181 432023620 /nfs/dbraw/zinc/02/36/20/432023620.db2.gz VPARKURGMUPROG-OAHLLOKOSA-N 1 0 322.424 3.435 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000170858096 197838390 /nfs/dbraw/zinc/83/83/90/197838390.db2.gz HLWMZHWRICMMMP-AWEZNQCLSA-N 1 0 318.417 3.330 10 0 DGAERO Cc1nc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)nc2ccccc12 ZINC000140419302 186026719 /nfs/dbraw/zinc/02/67/19/186026719.db2.gz HDHGTCPOFJWKIQ-BEFAXECRSA-N 1 0 311.429 3.065 10 0 DGAERO CCC(=CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC ZINC000130426088 432024507 /nfs/dbraw/zinc/02/45/07/432024507.db2.gz IMKLOHCWTMGMKY-MAUKXSAKSA-N 1 0 315.461 3.155 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)N2CCC[N@@H+](C3CC3)CC2)c1C ZINC000148999782 186046844 /nfs/dbraw/zinc/04/68/44/186046844.db2.gz IBIWYYFXLVXHJU-UHFFFAOYSA-N 1 0 311.429 3.095 10 0 DGAERO C[NH+](C)CCSCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000072261502 191089427 /nfs/dbraw/zinc/08/94/27/191089427.db2.gz ZBCTXFHLLXTJFJ-UHFFFAOYSA-N 1 0 321.471 3.043 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)c2ccccc21 ZINC000130444468 432024980 /nfs/dbraw/zinc/02/49/80/432024980.db2.gz VZNQHLBWZBCBFP-IIDMSEBBSA-N 1 0 315.461 3.218 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000164269211 186153655 /nfs/dbraw/zinc/15/36/55/186153655.db2.gz VOZAXUSULWUZAZ-ONGXEEELSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2csc(-c3ccoc3)n2)C1 ZINC000187988548 186239929 /nfs/dbraw/zinc/23/99/29/186239929.db2.gz PWZYUFXFJZGVFH-BLLLJJGKSA-N 1 0 306.431 3.386 10 0 DGAERO OCCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000194215810 186269722 /nfs/dbraw/zinc/26/97/22/186269722.db2.gz LREKKXRWAPDCSO-CYBMUJFWSA-N 1 0 314.223 3.025 10 0 DGAERO C[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000188030128 186245915 /nfs/dbraw/zinc/24/59/15/186245915.db2.gz SCGCMHVPVRUXLJ-GOEBONIOSA-N 1 0 304.434 3.443 10 0 DGAERO Cc1ccc(CN(C)C(=O)NCCC[NH+](C(C)C)C(C)C)o1 ZINC000194293915 186278045 /nfs/dbraw/zinc/27/80/45/186278045.db2.gz YNVDUHQJTKOWSR-UHFFFAOYSA-N 1 0 309.454 3.238 10 0 DGAERO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)s1 ZINC000237444301 186289838 /nfs/dbraw/zinc/28/98/38/186289838.db2.gz RHNMUWRPNZSBLJ-YIBTVLSRSA-N 1 0 312.866 3.246 10 0 DGAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000237447564 186290712 /nfs/dbraw/zinc/29/07/12/186290712.db2.gz OLIVGEHBIOHLSS-WFASDCNBSA-N 1 0 316.376 3.428 10 0 DGAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000237488597 186296797 /nfs/dbraw/zinc/29/67/97/186296797.db2.gz ZYKWCRUHAHVRPJ-NHYWBVRUSA-N 1 0 314.351 3.272 10 0 DGAERO CCCCOc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171891379 198002054 /nfs/dbraw/zinc/00/20/54/198002054.db2.gz ZUFDDFRIZSDRPE-MRXNPFEDSA-N 1 0 317.433 3.177 10 0 DGAERO CC(C)COc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171890496 198002179 /nfs/dbraw/zinc/00/21/79/198002179.db2.gz QUDKNUNYEIFMCT-MRXNPFEDSA-N 1 0 317.433 3.033 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000172242057 198063730 /nfs/dbraw/zinc/06/37/30/198063730.db2.gz PJBIKNSMHFJFAJ-OLMNPRSZSA-N 1 0 313.445 3.016 10 0 DGAERO O=C(c1cccc2ncccc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172421879 198095161 /nfs/dbraw/zinc/09/51/61/198095161.db2.gz FORKBDPZVWXWBL-UHFFFAOYSA-N 1 0 323.440 3.325 10 0 DGAERO Cc1ccc(NC(=O)N2CCCC2(C)C)c(OCC[NH+](C)C)c1 ZINC000172501081 198106789 /nfs/dbraw/zinc/10/67/89/198106789.db2.gz GWYSWUMZHIMMAS-UHFFFAOYSA-N 1 0 319.449 3.342 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3ccccc3)[nH]2)CC[N@@H+]1C ZINC000172618696 198125564 /nfs/dbraw/zinc/12/55/64/198125564.db2.gz UPNUPUPXOSVCJF-ZBFHGGJFSA-N 1 0 311.429 3.236 10 0 DGAERO C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000172703449 198139271 /nfs/dbraw/zinc/13/92/71/198139271.db2.gz UBOYYCIKALWXPZ-KSSFIOAISA-N 1 0 314.404 3.348 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2sc(C)nc2C)C1 ZINC000172794302 198150016 /nfs/dbraw/zinc/15/00/16/198150016.db2.gz FITRFMMBGANPRT-AWEZNQCLSA-N 1 0 304.463 3.356 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2sc(C)nc2C)C1 ZINC000172794294 198150382 /nfs/dbraw/zinc/15/03/82/198150382.db2.gz FITRFMMBGANPRT-CQSZACIVSA-N 1 0 304.463 3.356 10 0 DGAERO CC(C)OC(=O)CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000072688368 191215237 /nfs/dbraw/zinc/21/52/37/191215237.db2.gz XXWMYKQCHVGFBW-UHFFFAOYSA-N 1 0 308.397 3.044 10 0 DGAERO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000072793870 191228151 /nfs/dbraw/zinc/22/81/51/191228151.db2.gz HMHHZGGPVVOZQZ-UHFFFAOYSA-N 1 0 321.424 3.196 10 0 DGAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1nnc2n1CCCC2 ZINC000130757665 432029636 /nfs/dbraw/zinc/02/96/36/432029636.db2.gz YEEGFKRRUWGXQO-PQJKGVAHSA-N 1 0 300.450 3.090 10 0 DGAERO CC(C)(C)NC(=O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000072824851 191234745 /nfs/dbraw/zinc/23/47/45/191234745.db2.gz OMCGHJLTNGTLGV-GOSISDBHSA-N 1 0 310.441 3.475 10 0 DGAERO CC(C)CC(=O)N1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182058906 199380655 /nfs/dbraw/zinc/38/06/55/199380655.db2.gz WWZAMWSNQLITFV-KRWDZBQOSA-N 1 0 316.489 3.492 10 0 DGAERO CCOc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107526050 432033033 /nfs/dbraw/zinc/03/30/33/432033033.db2.gz GCZDMZYGYTWTAS-KRWDZBQOSA-N 1 0 316.445 3.176 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000174361421 198324800 /nfs/dbraw/zinc/32/48/00/198324800.db2.gz FXAFWJWWZSJYJT-ZYHUDNBSSA-N 1 0 313.804 3.426 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000174393857 198330119 /nfs/dbraw/zinc/33/01/19/198330119.db2.gz YEHVDHIJIJQYKH-JQWIXIFHSA-N 1 0 313.804 3.426 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1c[nH]c2ccccc12 ZINC000174536682 198348647 /nfs/dbraw/zinc/34/86/47/198348647.db2.gz TYANPTBWHVXYIW-INIZCTEOSA-N 1 0 313.445 3.043 10 0 DGAERO CC(C)(CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000067612432 432033788 /nfs/dbraw/zinc/03/37/88/432033788.db2.gz AEGVQUXJKVRRRN-UHFFFAOYSA-N 1 0 314.473 3.441 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000174608320 198358192 /nfs/dbraw/zinc/35/81/92/198358192.db2.gz UVQVENBHUZUNSK-ZYHUDNBSSA-N 1 0 313.804 3.426 10 0 DGAERO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000182122965 199389181 /nfs/dbraw/zinc/38/91/81/199389181.db2.gz ZIOIGXFWZRTPRP-CXAGYDPISA-N 1 0 310.388 3.262 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)o1 ZINC000067707750 432035972 /nfs/dbraw/zinc/03/59/72/432035972.db2.gz QFPUANAZHXSRND-DZGCQCFKSA-N 1 0 307.438 3.069 10 0 DGAERO CN1CC[C@H]([NH2+]CC2=Cc3ccccc3OC2)[C@@H]1c1ccccc1 ZINC000179045553 432036215 /nfs/dbraw/zinc/03/62/15/432036215.db2.gz JMXKZJWTCHSJNI-FPOVZHCZSA-N 1 0 320.436 3.497 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000236773637 202003113 /nfs/dbraw/zinc/00/31/13/202003113.db2.gz PQNSWEFQUQUJCR-MRXNPFEDSA-N 1 0 302.462 3.244 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)c1ccccc1 ZINC000131467203 432037933 /nfs/dbraw/zinc/03/79/33/432037933.db2.gz PHUSQMQADNFNOH-IRXDYDNUSA-N 1 0 310.441 3.427 10 0 DGAERO Fc1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1Cl ZINC000163767573 432041280 /nfs/dbraw/zinc/04/12/80/432041280.db2.gz PPSDZXDMHRVONH-LBPRGKRZSA-N 1 0 307.752 3.409 10 0 DGAERO CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2COc3ccccc3O2)CS1 ZINC000488412279 535268622 /nfs/dbraw/zinc/26/86/22/535268622.db2.gz LIMNRRIWSMKJEB-CPUCHLNUSA-N 1 0 307.459 3.336 10 0 DGAERO CC[C@@H](CSC)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000163868634 432043460 /nfs/dbraw/zinc/04/34/60/432043460.db2.gz IVHVBYWOILHITN-KGLIPLIRSA-N 1 0 316.511 3.365 10 0 DGAERO CCC(CC)(C[NH3+])NC(=O)c1sc(C2CCCC2)nc1C ZINC000236812297 202021588 /nfs/dbraw/zinc/02/15/88/202021588.db2.gz KCJVMIMAEDDQHA-UHFFFAOYSA-N 1 0 309.479 3.356 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1 ZINC000179138248 432045066 /nfs/dbraw/zinc/04/50/66/432045066.db2.gz WGGJFKLTYOGSKP-LJQANCHMSA-N 1 0 324.424 3.017 10 0 DGAERO CCc1nc(-c2ccccc2F)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073685150 191341484 /nfs/dbraw/zinc/34/14/84/191341484.db2.gz CPFSOWBCQVQGSO-CYBMUJFWSA-N 1 0 314.408 3.317 10 0 DGAERO CC1CCC(N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000074791594 191361967 /nfs/dbraw/zinc/36/19/67/191361967.db2.gz RZHAQDFDSAUCNJ-QLQQRZLESA-N 1 0 307.482 3.222 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c(s2)CCCC3)C1 ZINC000246511784 283094030 /nfs/dbraw/zinc/09/40/30/283094030.db2.gz FKCAQEPXFBJQAK-LSDHHAIUSA-N 1 0 318.486 3.183 10 0 DGAERO CCOCCN1CC[N@H+](C[C@@H](C)Cc2ccccc2)C[C@@H]1CC ZINC000132327320 432047978 /nfs/dbraw/zinc/04/79/78/432047978.db2.gz PYPVJMJVPDOYQC-ICSRJNTNSA-N 1 0 318.505 3.298 10 0 DGAERO Cc1ccc(CCCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000164554290 432049132 /nfs/dbraw/zinc/04/91/32/432049132.db2.gz BQVWERRLDVILRB-RTBURBONSA-N 1 0 314.473 3.260 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC=CCC2)[C@@H]1c1ccccc1 ZINC000179276203 432052688 /nfs/dbraw/zinc/05/26/88/432052688.db2.gz SPLIEMRYOCEJHX-SZMVWBNQSA-N 1 0 313.445 3.087 10 0 DGAERO c1ccc(Cn2n[n+](Cc3ccccc3)c3ccccc32)cc1 ZINC000005482930 181248641 /nfs/dbraw/zinc/24/86/41/181248641.db2.gz DDYZIANBAKJYSJ-UHFFFAOYSA-N 1 0 300.385 3.420 10 0 DGAERO [NH3+]CCCCCCN1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000005514369 181252619 /nfs/dbraw/zinc/25/26/19/181252619.db2.gz CDCHNRSTNXJDNZ-UHFFFAOYSA-N 1 0 322.408 3.054 10 0 DGAERO CC[C@@H](CC(=O)NC[C@H](C)[NH+](CC)CC)c1ccc(OC)cc1 ZINC000132900252 432054586 /nfs/dbraw/zinc/05/45/86/432054586.db2.gz MSGDXZIQCJYRDE-HOTGVXAUSA-N 1 0 320.477 3.425 10 0 DGAERO CC(C)Sc1ccc([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000165354162 432055355 /nfs/dbraw/zinc/05/53/55/432055355.db2.gz YFNZOVZQUYHGHI-ZDUSSCGKSA-N 1 0 321.490 3.381 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000081333039 192252470 /nfs/dbraw/zinc/25/24/70/192252470.db2.gz GOIKIDJGUAHSNP-HNNXBMFYSA-N 1 0 318.436 3.048 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)ccc1F ZINC000179407129 432057163 /nfs/dbraw/zinc/05/71/63/432057163.db2.gz STTXQROZIIJPRU-DPZKZMLUSA-N 1 0 301.361 3.143 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)ccc1F ZINC000179407053 432057191 /nfs/dbraw/zinc/05/71/91/432057191.db2.gz STTXQROZIIJPRU-SDDDUWNISA-N 1 0 301.361 3.143 10 0 DGAERO Cc1cccc2[nH]cc(CC[NH2+]Cc3cccc4nccn43)c21 ZINC000179423167 432057729 /nfs/dbraw/zinc/05/77/29/432057729.db2.gz AQRFHVQXGPIIPI-UHFFFAOYSA-N 1 0 304.397 3.456 10 0 DGAERO C[C@H]1CCC[N@H+](CCNC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000081543569 192287143 /nfs/dbraw/zinc/28/71/43/192287143.db2.gz SRFCUAOGHLHDAC-IJJSQOHJSA-N 1 0 304.409 3.077 10 0 DGAERO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CCCC1 ZINC000179469698 432059303 /nfs/dbraw/zinc/05/93/03/432059303.db2.gz JCOWRECZSLEHHT-QZTJIDSGSA-N 1 0 315.461 3.406 10 0 DGAERO COC[C@](C)(CCO)[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000133268478 432059446 /nfs/dbraw/zinc/05/94/46/432059446.db2.gz LFWNTHZZOGFWAZ-IBGZPJMESA-N 1 0 315.413 3.356 10 0 DGAERO CC(C)N(CCc1nccs1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000133272767 432059873 /nfs/dbraw/zinc/05/98/73/432059873.db2.gz QNOJAMRJYWBZJH-OAHLLOKOSA-N 1 0 323.506 3.187 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCC[C@H](C)[NH+]2CCCCC2)o1 ZINC000184730507 199757705 /nfs/dbraw/zinc/75/77/05/199757705.db2.gz HLFBBTGEAIRAQP-ZFWWWQNUSA-N 1 0 307.438 3.213 10 0 DGAERO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236926396 202075500 /nfs/dbraw/zinc/07/55/00/202075500.db2.gz QKWDZLLRTLVHKP-NEPJUHHUSA-N 1 0 315.244 3.469 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000236975702 202102814 /nfs/dbraw/zinc/10/28/14/202102814.db2.gz AYTRHNRCXLYFLS-NJAFHUGGSA-N 1 0 300.446 3.264 10 0 DGAERO CCc1ccc(-c2csc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000236990039 202111215 /nfs/dbraw/zinc/11/12/15/202111215.db2.gz NSQDAWZIYOUGON-ZIAGYGMSSA-N 1 0 315.442 3.438 10 0 DGAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c(C)s1 ZINC000166475390 432060802 /nfs/dbraw/zinc/06/08/02/432060802.db2.gz AMSUOVZBRSNYPF-DZGCQCFKSA-N 1 0 318.490 3.418 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)CC1 ZINC000237077492 202145056 /nfs/dbraw/zinc/14/50/56/202145056.db2.gz PHWFVXLKYXMJTH-OAHLLOKOSA-N 1 0 318.461 3.096 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000237095700 202152290 /nfs/dbraw/zinc/15/22/90/202152290.db2.gz XPZICDSMDCOYMG-KRWDZBQOSA-N 1 0 314.429 3.147 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000237095016 202152321 /nfs/dbraw/zinc/15/23/21/202152321.db2.gz SRXWQRWOQBEUKS-UHFFFAOYSA-N 1 0 318.364 3.123 10 0 DGAERO CCCCOc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000179549073 432061915 /nfs/dbraw/zinc/06/19/15/432061915.db2.gz JJUXNBFDIPIGGT-QGZVFWFLSA-N 1 0 318.461 3.154 10 0 DGAERO CCC[C@@H](C(=O)N(C)Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000179546737 432062075 /nfs/dbraw/zinc/06/20/75/432062075.db2.gz VJBDXHOGSYQERK-AWEZNQCLSA-N 1 0 316.367 3.394 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)Nc1c(C)onc1CC ZINC000133371822 432062137 /nfs/dbraw/zinc/06/21/37/432062137.db2.gz QBHSWGYNSPMZKX-UHFFFAOYSA-N 1 0 310.442 3.131 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000237167443 202172972 /nfs/dbraw/zinc/17/29/72/202172972.db2.gz XIOLFUYYLMYECV-MOPGFXCFSA-N 1 0 308.425 3.154 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1sccc1Br ZINC000166880498 432062642 /nfs/dbraw/zinc/06/26/42/432062642.db2.gz PDUSRFMBTXTORB-UWVGGRQHSA-N 1 0 303.269 3.255 10 0 DGAERO CC(C)([NH2+]CC(=O)Nc1ccncc1)c1cccc(Cl)c1 ZINC000179604632 432064747 /nfs/dbraw/zinc/06/47/47/432064747.db2.gz GYTSVXFMCGEHQF-UHFFFAOYSA-N 1 0 303.793 3.198 10 0 DGAERO C[C@H](CC(=O)N1CCCC[C@@H]1c1nccs1)C1CC[NH2+]CC1 ZINC000167106126 432064110 /nfs/dbraw/zinc/06/41/10/432064110.db2.gz ODNGYWDPZRNLLY-UKRRQHHQSA-N 1 0 321.490 3.223 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1cncc(F)c1 ZINC000167497630 432065319 /nfs/dbraw/zinc/06/53/19/432065319.db2.gz NRYFCIBKMMJNSD-FZMZJTMJSA-N 1 0 321.346 3.428 10 0 DGAERO O=C(Nc1cccc2c1C[NH2+]CC2)c1cc(Cl)ccc1F ZINC000167371026 432065332 /nfs/dbraw/zinc/06/53/32/432065332.db2.gz ODZVJUDHCWJXPM-UHFFFAOYSA-N 1 0 304.752 3.377 10 0 DGAERO C[C@H](c1cccc(F)c1)N1CC[NH+](CCc2cccnc2)CC1 ZINC000179631496 432066056 /nfs/dbraw/zinc/06/60/56/432066056.db2.gz SEJNYAAGOCUQNE-MRXNPFEDSA-N 1 0 313.420 3.142 10 0 DGAERO CCC[C@H](C)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000179674660 432067424 /nfs/dbraw/zinc/06/74/24/432067424.db2.gz APNCCARBYQXZKC-HNNXBMFYSA-N 1 0 306.425 3.410 10 0 DGAERO Cn1nc(-c2ccccc2)c(C[NH+]2CCC(C)(O)CC2)c1Cl ZINC000179726975 432068320 /nfs/dbraw/zinc/06/83/20/432068320.db2.gz HFTMFLKWGGPBSJ-UHFFFAOYSA-N 1 0 319.836 3.087 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C)cc1NC(C)=O ZINC000178434413 198866920 /nfs/dbraw/zinc/86/69/20/198866920.db2.gz AQZUFISROBHWRH-SWLSCSKDSA-N 1 0 322.449 3.101 10 0 DGAERO COCCC[C@H](C)[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000178508817 198879348 /nfs/dbraw/zinc/87/93/48/198879348.db2.gz VRUJQRXDEJGEMT-HNNXBMFYSA-N 1 0 304.434 3.108 10 0 DGAERO COCc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000179221137 199000557 /nfs/dbraw/zinc/00/05/57/199000557.db2.gz WSVGBBLTSFJQNI-SFHVURJKSA-N 1 0 311.429 3.162 10 0 DGAERO COc1ccccc1N1CCC([NH2+][C@H](C)c2nccs2)CC1 ZINC000179417290 199032117 /nfs/dbraw/zinc/03/21/17/199032117.db2.gz NDVDPFCKNHHVNY-CYBMUJFWSA-N 1 0 317.458 3.471 10 0 DGAERO CCC[C@@H](C(=O)Nc1cccc(-c2ccnc(C)n2)c1)[NH+](C)C ZINC000179487058 199044790 /nfs/dbraw/zinc/04/47/90/199044790.db2.gz YYQDXOJBAJIMOS-KRWDZBQOSA-N 1 0 312.417 3.121 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000179523709 199050483 /nfs/dbraw/zinc/05/04/83/199050483.db2.gz KDMSQICCGUKGJN-AFAVFJNCSA-N 1 0 312.404 3.115 10 0 DGAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C)cc1 ZINC000179533578 199051880 /nfs/dbraw/zinc/05/18/80/199051880.db2.gz NELQOTUKOHEYIC-ZBFHGGJFSA-N 1 0 309.450 3.300 10 0 DGAERO Cc1cnn([C@H]2CCCN(Cc3c[nH]c(-c4ccccc4)n3)C2)c1 ZINC000179544068 199052103 /nfs/dbraw/zinc/05/21/03/199052103.db2.gz ZKXJAVIJDAGXBJ-SFHVURJKSA-N 1 0 321.428 3.419 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179644470 199069669 /nfs/dbraw/zinc/06/96/69/199069669.db2.gz ZGPZIXIPKPSXQX-SFHVURJKSA-N 1 0 310.445 3.137 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3cnn(C(C)C)c3)CC2)cn1 ZINC000179848148 199087545 /nfs/dbraw/zinc/08/75/45/199087545.db2.gz AMNOSPCLMJWWQV-UHFFFAOYSA-N 1 0 301.438 3.060 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000180004601 199105626 /nfs/dbraw/zinc/10/56/26/199105626.db2.gz SJOMHVAERNIOIC-MRXNPFEDSA-N 1 0 312.461 3.240 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@@H]1c1ccccc1 ZINC000180172219 199126578 /nfs/dbraw/zinc/12/65/78/199126578.db2.gz LTZJGMIAFVDPGD-CVEARBPZSA-N 1 0 322.399 3.374 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000180190487 199129035 /nfs/dbraw/zinc/12/90/35/199129035.db2.gz KLHHKTWKUFMLDL-JKSUJKDBSA-N 1 0 321.852 3.185 10 0 DGAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393336181 293830553 /nfs/dbraw/zinc/83/05/53/293830553.db2.gz FPLBNRXNIAGJFC-WCQYABFASA-N 1 0 314.271 3.487 10 0 DGAERO CSc1ccc(CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000237319937 202229097 /nfs/dbraw/zinc/22/90/97/202229097.db2.gz LLUVLWNHYVOZPB-DZGCQCFKSA-N 1 0 306.475 3.051 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000180527681 199171352 /nfs/dbraw/zinc/17/13/52/199171352.db2.gz XABSWMJDLUWMIV-ZFWWWQNUSA-N 1 0 314.433 3.076 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)CC2 ZINC000180504687 199168213 /nfs/dbraw/zinc/16/82/13/199168213.db2.gz SITKIPPUYRPWGI-NWDGAFQWSA-N 1 0 320.387 3.345 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@@H]2CCc3ncnn3C2)c2ccccc2)cc1 ZINC000180852958 199219294 /nfs/dbraw/zinc/21/92/94/199219294.db2.gz TUMKUEJIFJYXKC-QUCCMNQESA-N 1 0 318.424 3.281 10 0 DGAERO COC[C@@H](O)CC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000181038411 199243990 /nfs/dbraw/zinc/24/39/90/199243990.db2.gz HRHJPSLSPBTBNR-ICSRJNTNSA-N 1 0 313.441 3.380 10 0 DGAERO C[C@H]1COCCN1CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180091286 432078299 /nfs/dbraw/zinc/07/82/99/432078299.db2.gz HSACYUOOZQJTLP-SUMWQHHRSA-N 1 0 308.853 3.101 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H]1c1ccccc1 ZINC000180139600 432079160 /nfs/dbraw/zinc/07/91/60/432079160.db2.gz QQKIOHTZZKOGAZ-HKUYNNGSSA-N 1 0 319.408 3.343 10 0 DGAERO Fc1ccccc1[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C1CCCC1 ZINC000180167087 432080403 /nfs/dbraw/zinc/08/04/03/432080403.db2.gz FGWGOCYYXPNCBU-KSSFIOAISA-N 1 0 314.408 3.253 10 0 DGAERO CS[C@H]1CCCC[N@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000134599737 432080601 /nfs/dbraw/zinc/08/06/01/432080601.db2.gz MFQAOFFPCWCCNH-HNNXBMFYSA-N 1 0 316.474 3.200 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000186102625 199916586 /nfs/dbraw/zinc/91/65/86/199916586.db2.gz WPOKBSSGCVBOIU-LBPRGKRZSA-N 1 0 310.463 3.054 10 0 DGAERO Cc1cccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180188675 432081352 /nfs/dbraw/zinc/08/13/52/432081352.db2.gz TVGDGBUCXBCQFR-UYAOXDASSA-N 1 0 308.425 3.099 10 0 DGAERO C[C@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@@H]1N1CCOCC1 ZINC000180227005 432081633 /nfs/dbraw/zinc/08/16/33/432081633.db2.gz XBNXXBJDPKWLKD-YOEHRIQHSA-N 1 0 316.470 3.054 10 0 DGAERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000170829206 432083041 /nfs/dbraw/zinc/08/30/41/432083041.db2.gz RZAZMCBLNLKNKK-HUUCEWRRSA-N 1 0 309.841 3.137 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000186684954 199990775 /nfs/dbraw/zinc/99/07/75/199990775.db2.gz MWMYFPZAUOCXLB-OXQOHEQNSA-N 1 0 322.452 3.323 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000186775623 200008307 /nfs/dbraw/zinc/00/83/07/200008307.db2.gz IXWWEEJMYZQACJ-KXBFYZLASA-N 1 0 308.425 3.005 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000186790188 200010941 /nfs/dbraw/zinc/01/09/41/200010941.db2.gz MFPVPJZKLOIROI-DOMZBBRYSA-N 1 0 308.853 3.023 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CCN1C ZINC000186830722 200017747 /nfs/dbraw/zinc/01/77/47/200017747.db2.gz FVRMYQRMFFCRSK-YOEHRIQHSA-N 1 0 318.461 3.246 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000186750464 200003211 /nfs/dbraw/zinc/00/32/11/200003211.db2.gz GCHMSWBIKKAUSM-CABZTGNLSA-N 1 0 318.364 3.026 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000186751507 200004185 /nfs/dbraw/zinc/00/41/85/200004185.db2.gz GCHMSWBIKKAUSM-JOYOIKCWSA-N 1 0 318.364 3.026 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000089732829 192852747 /nfs/dbraw/zinc/85/27/47/192852747.db2.gz OWMRHTIZPQNJAP-AEFFLSMTSA-N 1 0 310.445 3.413 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000186862990 200023438 /nfs/dbraw/zinc/02/34/38/200023438.db2.gz SZOQQGIQABGNTH-SMDDNHRTSA-N 1 0 318.804 3.328 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2scnc2C2CC2)C1 ZINC000089751392 192857555 /nfs/dbraw/zinc/85/75/55/192857555.db2.gz ZAEXFJYRPLRSAZ-CHWSQXEVSA-N 1 0 321.490 3.118 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000187041650 200051319 /nfs/dbraw/zinc/05/13/19/200051319.db2.gz JVCJYISYXTTYFY-SWLSCSKDSA-N 1 0 324.494 3.028 10 0 DGAERO CC(F)(F)c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000186956280 200037180 /nfs/dbraw/zinc/03/71/80/200037180.db2.gz NIJRQZKOQZSPST-AWEZNQCLSA-N 1 0 309.360 3.110 10 0 DGAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2)c1 ZINC000237855809 283458618 /nfs/dbraw/zinc/45/86/18/283458618.db2.gz YLZYJQJZXXRHGP-SFHVURJKSA-N 1 0 324.424 3.219 10 0 DGAERO CCCc1cccc(C[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000187177971 200072414 /nfs/dbraw/zinc/07/24/14/200072414.db2.gz NNVDRHMDIFFNGS-KRWDZBQOSA-N 1 0 312.461 3.459 10 0 DGAERO CCCc1cccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000187117139 200064279 /nfs/dbraw/zinc/06/42/79/200064279.db2.gz GXTWKCYIGNRZCQ-UHFFFAOYSA-N 1 0 302.462 3.376 10 0 DGAERO CC(C)[C@@H](SCc1ccccc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868467 432084705 /nfs/dbraw/zinc/08/47/05/432084705.db2.gz PKCIBMCXYKFJGT-IAGOWNOFSA-N 1 0 320.502 3.107 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000170858921 432085064 /nfs/dbraw/zinc/08/50/64/432085064.db2.gz HHCDTSKHNCACGK-GFCCVEGCSA-N 1 0 318.804 3.376 10 0 DGAERO C[C@@H]1CCN(C(=O)c2coc(C[NH3+])c2)[C@H]1c1cccc(F)c1 ZINC000187928940 200178264 /nfs/dbraw/zinc/17/82/64/200178264.db2.gz BXFKSIWQXKKDOE-BDJLRTHQSA-N 1 0 302.349 3.101 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2cc(-c3cccs3)on2)C1 ZINC000187938641 200179799 /nfs/dbraw/zinc/17/97/99/200179799.db2.gz WGDOPPNITDJERD-WBMJQRKESA-N 1 0 306.431 3.386 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000237522508 202270878 /nfs/dbraw/zinc/27/08/78/202270878.db2.gz WBTKNZOOMBNTKN-VHRBIJSZSA-N 1 0 314.351 3.400 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2nccnc2C)cc1OC ZINC000187982142 200186003 /nfs/dbraw/zinc/18/60/03/200186003.db2.gz KQCKTNYIORKGEO-TZMCWYRMSA-N 1 0 315.417 3.084 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2cccnc2Cl)C[C@H]1c1ccsc1 ZINC000188090247 200192041 /nfs/dbraw/zinc/19/20/41/200192041.db2.gz SZWNHFKWGOULHZ-KBPBESRZSA-N 1 0 308.834 3.004 10 0 DGAERO Cc1cc(Cl)ccc1OCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237613394 202304569 /nfs/dbraw/zinc/30/45/69/202304569.db2.gz QQLNSZUDJMELIS-ZFWWWQNUSA-N 1 0 324.852 3.051 10 0 DGAERO Cc1c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cccc1OCC(F)(F)F ZINC000237631844 202310517 /nfs/dbraw/zinc/31/05/17/202310517.db2.gz IZFGCOJZMVPMHB-QWRGUYRKSA-N 1 0 316.323 3.002 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCO[C@@H](C)C2)o1 ZINC000237648213 202317230 /nfs/dbraw/zinc/31/72/30/202317230.db2.gz WHMGEFFXNYGODU-HOCLYGCPSA-N 1 0 320.458 3.201 10 0 DGAERO C[C@@H](Cc1ccccc1F)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000188259126 200218024 /nfs/dbraw/zinc/21/80/24/200218024.db2.gz HCFOBSKXWJOYGE-JTQLQIEISA-N 1 0 315.314 3.299 10 0 DGAERO Cc1ccc(CCC2CCN(C(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000237704418 202332824 /nfs/dbraw/zinc/33/28/24/202332824.db2.gz BVKUMGAINCLDKT-OALUTQOASA-N 1 0 314.473 3.294 10 0 DGAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000237857368 202371778 /nfs/dbraw/zinc/37/17/78/202371778.db2.gz MRMDJERZWPKPHN-OALUTQOASA-N 1 0 324.424 3.009 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)NC2(c3ccc(F)cc3)CCCC2)C1 ZINC000238038216 202426149 /nfs/dbraw/zinc/42/61/49/202426149.db2.gz WJHNQNSXXBOIDO-BBRMVZONSA-N 1 0 304.409 3.229 10 0 DGAERO CCc1ccc2c(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)cc(=O)oc2c1 ZINC000189275473 200374241 /nfs/dbraw/zinc/37/42/41/200374241.db2.gz MSIIWFRUWYMMTR-SCLBCKFNSA-N 1 0 315.413 3.212 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189278393 200375255 /nfs/dbraw/zinc/37/52/55/200375255.db2.gz YTMNPDJUBWETBK-KURKYZTESA-N 1 0 310.445 3.422 10 0 DGAERO [NH3+]Cc1cc(Cl)cc(Cl)c1I ZINC000098095780 283526758 /nfs/dbraw/zinc/52/67/58/283526758.db2.gz NSLVGOZHXKTKAB-UHFFFAOYSA-N 1 0 301.942 3.057 10 0 DGAERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccccc2SC)CC[C@@H]1C ZINC000189333841 200383972 /nfs/dbraw/zinc/38/39/72/200383972.db2.gz RMXPAWWCIACWIU-ZFWWWQNUSA-N 1 0 322.474 3.094 10 0 DGAERO Fc1ccc(Cn2cc(C[NH2+]CCCc3ccccn3)cn2)cc1 ZINC000189347817 200385801 /nfs/dbraw/zinc/38/58/01/200385801.db2.gz YJAWXPOLRLEEQN-UHFFFAOYSA-N 1 0 324.403 3.188 10 0 DGAERO CC[C@@H]1C[N@@H+]([C@@H](C)CCc2ccccc2)CCN1CCOC ZINC000170940346 432088720 /nfs/dbraw/zinc/08/87/20/432088720.db2.gz MEGFDDSMNMZDID-PKOBYXMFSA-N 1 0 304.478 3.050 10 0 DGAERO CCC[N@@H+](Cc1cc(F)cc2c1OCOC2)C[C@H]1CCCCO1 ZINC000170958187 432088977 /nfs/dbraw/zinc/08/89/77/432088977.db2.gz ZNMFWFNEMDKMKC-QGZVFWFLSA-N 1 0 323.408 3.473 10 0 DGAERO CCC[N@@H+](Cc1cc(F)cc2c1OCOC2)C[C@@H]1CCCCO1 ZINC000170958186 432089467 /nfs/dbraw/zinc/08/94/67/432089467.db2.gz ZNMFWFNEMDKMKC-KRWDZBQOSA-N 1 0 323.408 3.473 10 0 DGAERO c1ccc(CN2CCSC[C@@H]2C[NH2+][C@@H]2CCCSC2)cc1 ZINC000428534542 238024549 /nfs/dbraw/zinc/02/45/49/238024549.db2.gz KDYNLPNDJGFLSW-SJORKVTESA-N 1 0 322.543 3.089 10 0 DGAERO CCCCC[C@H](CC)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000180570144 432089971 /nfs/dbraw/zinc/08/99/71/432089971.db2.gz FUALIMSHLPYBBS-SJORKVTESA-N 1 0 324.509 3.305 10 0 DGAERO COC(C)(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000170968106 432090424 /nfs/dbraw/zinc/09/04/24/432090424.db2.gz FOGOTYFSQXUAMW-CQSZACIVSA-N 1 0 324.490 3.062 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)sc1C)CC2 ZINC000180609509 432090889 /nfs/dbraw/zinc/09/08/89/432090889.db2.gz KKDGQQVTXBXVKX-WCQYABFASA-N 1 0 304.463 3.184 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(Cl)c(C)c1 ZINC000246060088 432091111 /nfs/dbraw/zinc/09/11/11/432091111.db2.gz RDCRTJLJMLVFTR-KBPBESRZSA-N 1 0 322.840 3.134 10 0 DGAERO O=C(C[C@H]1CCCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000170976849 432091485 /nfs/dbraw/zinc/09/14/85/432091485.db2.gz IGWUOMZNVULYJC-MRXNPFEDSA-N 1 0 312.457 3.240 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000191142805 200632805 /nfs/dbraw/zinc/63/28/05/200632805.db2.gz GCQBXNLTPQNVOT-VXGBXAGGSA-N 1 0 317.351 3.318 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)sc1C)CC2 ZINC000180609526 432092045 /nfs/dbraw/zinc/09/20/45/432092045.db2.gz KKDGQQVTXBXVKX-AAEUAGOBSA-N 1 0 304.463 3.184 10 0 DGAERO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C3CC3)cc1)C[C@@H](C)O2 ZINC000459498355 291239527 /nfs/dbraw/zinc/23/95/27/291239527.db2.gz BSJSODNJDNVQME-CLCXKQKWSA-N 1 0 301.430 3.332 10 0 DGAERO c1cn(-c2csc(C[NH2+]C[C@H]3CCCCN3C3CC3)c2)cn1 ZINC000434788241 238244926 /nfs/dbraw/zinc/24/49/26/238244926.db2.gz SWQJMMGKCOSQIS-OAHLLOKOSA-N 1 0 316.474 3.040 10 0 DGAERO CCC[C@@H](C(=O)NCc1c(OC)ccc2ccccc21)[NH+](C)C ZINC000134975860 432093630 /nfs/dbraw/zinc/09/36/30/432093630.db2.gz TWOYUEHEFCLSEB-KRWDZBQOSA-N 1 0 314.429 3.195 10 0 DGAERO Cc1ccc([C@H](C[NH2+][C@@H](C)C2CCC2)N2CCOCC2)s1 ZINC000180659046 432094521 /nfs/dbraw/zinc/09/45/21/432094521.db2.gz RXRAXDSUZBFKGJ-HOCLYGCPSA-N 1 0 308.491 3.208 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246106633 432094345 /nfs/dbraw/zinc/09/43/45/432094345.db2.gz XAUGANAGLPKREL-XHDPSFHLSA-N 1 0 311.376 3.159 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(F)cc1Cl ZINC000134991522 432094985 /nfs/dbraw/zinc/09/49/85/432094985.db2.gz MHWQYFOYVIXHNG-LBPRGKRZSA-N 1 0 312.816 3.012 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000193193716 201005711 /nfs/dbraw/zinc/00/57/11/201005711.db2.gz KVOFQQIGNJNJMT-HTQZYQBOSA-N 1 0 307.196 3.437 10 0 DGAERO COc1ccc([C@@H]2CCCCCN2C(=O)CC[C@H](C)[NH3+])cc1 ZINC000193183096 201003555 /nfs/dbraw/zinc/00/35/55/201003555.db2.gz VIAGOVDJKFQWDQ-YOEHRIQHSA-N 1 0 304.434 3.266 10 0 DGAERO CCOc1cccc2cc([C@@H](C)NC(=O)CC[C@H](C)[NH3+])oc21 ZINC000193181572 201003945 /nfs/dbraw/zinc/00/39/45/201003945.db2.gz BUPQNXFCLKGMOR-NWDGAFQWSA-N 1 0 304.390 3.136 10 0 DGAERO Cc1ccccc1C1(CNC(=O)CC[C@H](C)[NH3+])CCCCC1 ZINC000193233707 201011161 /nfs/dbraw/zinc/01/11/61/201011161.db2.gz QELPEONHYIXTOK-INIZCTEOSA-N 1 0 302.462 3.441 10 0 DGAERO CCCCCOc1cc(C)ccc1CNC(=O)CC[C@@H](C)[NH3+] ZINC000193279063 201018765 /nfs/dbraw/zinc/01/87/65/201018765.db2.gz FVCIFNPOMCJBQU-OAHLLOKOSA-N 1 0 306.450 3.308 10 0 DGAERO CCCCCOc1cc(C)ccc1CNC(=O)CC[C@H](C)[NH3+] ZINC000193279078 201019078 /nfs/dbraw/zinc/01/90/78/201019078.db2.gz FVCIFNPOMCJBQU-HNNXBMFYSA-N 1 0 306.450 3.308 10 0 DGAERO Cc1ccc([C@@H]([NH2+]CCS(C)(=O)=O)c2ccccc2)c(C)c1 ZINC000193845817 201133033 /nfs/dbraw/zinc/13/30/33/201133033.db2.gz IFNRGLLUFAEQBR-SFHVURJKSA-N 1 0 317.454 3.027 10 0 DGAERO C[C@](O)(CC[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000189846785 432097103 /nfs/dbraw/zinc/09/71/03/432097103.db2.gz SANUQPUBMFRVBB-FQEVSTJZSA-N 1 0 321.424 3.464 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+]CCSCc1ccccc1 ZINC000193903473 201142481 /nfs/dbraw/zinc/14/24/81/201142481.db2.gz JKKDXXPYNWIILH-KRWDZBQOSA-N 1 0 317.454 3.252 10 0 DGAERO c1csc(CN2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000135070345 432096992 /nfs/dbraw/zinc/09/69/92/432096992.db2.gz RIPDLNVJYNFWMN-UHFFFAOYSA-N 1 0 313.470 3.418 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)ccc1Cl ZINC000246126447 432099171 /nfs/dbraw/zinc/09/91/71/432099171.db2.gz KPOAOSVKFGEJDD-JQWIXIFHSA-N 1 0 311.788 3.180 10 0 DGAERO Clc1cccc2c1CCN(CC[NH2+]Cc1ccccc1)C2 ZINC000442989908 239160752 /nfs/dbraw/zinc/16/07/52/239160752.db2.gz KNXPEPASARWVFG-UHFFFAOYSA-N 1 0 300.833 3.488 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000443235485 239186297 /nfs/dbraw/zinc/18/62/97/239186297.db2.gz CHHCIKZSIOXILD-JKSUJKDBSA-N 1 0 319.493 3.374 10 0 DGAERO C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443625304 239219258 /nfs/dbraw/zinc/21/92/58/239219258.db2.gz JUGSTOHMUJBWBY-MBNYWOFBSA-N 1 0 301.352 3.339 10 0 DGAERO CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246159156 432099912 /nfs/dbraw/zinc/09/99/12/432099912.db2.gz KPTCILBLECJYEV-CGTJXYLNSA-N 1 0 317.477 3.132 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000171075423 432100826 /nfs/dbraw/zinc/10/08/26/432100826.db2.gz QPAWYCZMNIBZES-OAHLLOKOSA-N 1 0 317.433 3.176 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000245931265 202554534 /nfs/dbraw/zinc/55/45/34/202554534.db2.gz QHOWBFKVWWWZRE-AYOQOUSVSA-N 1 0 308.425 3.106 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000171084945 432101503 /nfs/dbraw/zinc/10/15/03/432101503.db2.gz SUFHEFUTKJRFNA-JTQLQIEISA-N 1 0 319.302 3.012 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C1CCCC1)CC2 ZINC000246172382 432103741 /nfs/dbraw/zinc/10/37/41/432103741.db2.gz LHPMVAFVZPSXNN-UAGQMJEPSA-N 1 0 307.482 3.222 10 0 DGAERO CC(C)[NH+](CCCNC(=O)C1(c2ccc(F)cc2)CC1)C(C)C ZINC000074333142 283795456 /nfs/dbraw/zinc/79/54/56/283795456.db2.gz JYUQPNYPINEICY-UHFFFAOYSA-N 1 0 320.452 3.482 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1cccs1 ZINC000171111145 432104309 /nfs/dbraw/zinc/10/43/09/432104309.db2.gz BHPQUQWXTCXQTK-CHWSQXEVSA-N 1 0 300.427 3.377 10 0 DGAERO c1cnn(-c2ccccc2C[NH2+]Cc2ccnn2C2CCCC2)c1 ZINC000449106236 240019870 /nfs/dbraw/zinc/01/98/70/240019870.db2.gz LGLCTSDUMPTYTL-UHFFFAOYSA-N 1 0 321.428 3.474 10 0 DGAERO CC1(C)C[N@H+](Cc2cccc3ccoc32)C[C@@]2(CCOC2)O1 ZINC000449297658 240117685 /nfs/dbraw/zinc/11/76/85/240117685.db2.gz HCGYQEJAYDYVLD-GOSISDBHSA-N 1 0 301.386 3.203 10 0 DGAERO OCC1(c2ccccc2)CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449342147 240143900 /nfs/dbraw/zinc/14/39/00/240143900.db2.gz ZKNUCEOOKOAWCW-UHFFFAOYSA-N 1 0 322.408 3.354 10 0 DGAERO c1nc2ccccc2n1-c1ccc(C[NH2+]CC2=CCOCC2)cc1 ZINC000449403738 240180096 /nfs/dbraw/zinc/18/00/96/240180096.db2.gz RJCBOAJFSQDWLM-UHFFFAOYSA-N 1 0 319.408 3.462 10 0 DGAERO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2ccccc2)c(OC)c1 ZINC000449465878 240222127 /nfs/dbraw/zinc/22/21/27/240222127.db2.gz CJHLUJBBPYDNMN-CQSZACIVSA-N 1 0 315.413 3.433 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c(OC)c1 ZINC000449467949 240224891 /nfs/dbraw/zinc/22/48/91/240224891.db2.gz NQXUHWWQVCGRNX-HZSPNIEDSA-N 1 0 307.434 3.422 10 0 DGAERO Cc1ccc(-c2n[nH]cc2CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246198486 432105139 /nfs/dbraw/zinc/10/51/39/432105139.db2.gz LQXMFAUTSWLWIF-PKOBYXMFSA-N 1 0 324.472 3.301 10 0 DGAERO CCc1ccccc1CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000189940193 432105274 /nfs/dbraw/zinc/10/52/74/432105274.db2.gz XFTZYJAVWGIPFT-IBGZPJMESA-N 1 0 310.441 3.211 10 0 DGAERO c1ncn(-c2ccc(C[N@@H+]3CCCc4ccccc4CC3)cc2)n1 ZINC000449552012 240282965 /nfs/dbraw/zinc/28/29/65/240282965.db2.gz HXMAROOZDIBVHL-UHFFFAOYSA-N 1 0 318.424 3.258 10 0 DGAERO c1cnn(-c2ccc(C[N@@H+]3CCOCC34CCCCC4)cc2)c1 ZINC000449622767 240323577 /nfs/dbraw/zinc/32/35/77/240323577.db2.gz FQAQJNJVUBCPPF-UHFFFAOYSA-N 1 0 311.429 3.407 10 0 DGAERO CC[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1Cl ZINC000246197889 432105771 /nfs/dbraw/zinc/10/57/71/432105771.db2.gz DRDQFGXSIJHRCP-BFHYXJOUSA-N 1 0 324.852 3.131 10 0 DGAERO O=C1Nc2ccccc2[C@@H]1CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000171130884 432106037 /nfs/dbraw/zinc/10/60/37/432106037.db2.gz NQWLQWBBJSJBNH-INIZCTEOSA-N 1 0 305.381 3.384 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000077204226 283847024 /nfs/dbraw/zinc/84/70/24/283847024.db2.gz CYBMTWCUUBWPRS-DGCLKSJQSA-N 1 0 303.324 3.226 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@@]2(CC[NH2+]C2)C1 ZINC000091303093 193035054 /nfs/dbraw/zinc/03/50/54/193035054.db2.gz SZRJUSMARDPBID-MAUKXSAKSA-N 1 0 302.418 3.001 10 0 DGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@@H](c3ccccc3)C3CC3)C2)cn1 ZINC000091347356 193044669 /nfs/dbraw/zinc/04/46/69/193044669.db2.gz BISNPUNRNSQZMO-MJGOQNOKSA-N 1 0 310.445 3.130 10 0 DGAERO CC(C)[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000091374840 193047324 /nfs/dbraw/zinc/04/73/24/193047324.db2.gz ZMPONICRQHWZOO-MJGOQNOKSA-N 1 0 310.445 3.432 10 0 DGAERO c1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000091374853 193047594 /nfs/dbraw/zinc/04/75/94/193047594.db2.gz ASFQAXLVHVXSMK-IEBWSBKVSA-N 1 0 308.429 3.186 10 0 DGAERO CC(C)[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1Cl ZINC000091401779 193050212 /nfs/dbraw/zinc/05/02/12/193050212.db2.gz DXBDXYWDVISQSK-MRXNPFEDSA-N 1 0 311.853 3.416 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@H]2[NH2+]Cc1ccccc1 ZINC000091680911 193090249 /nfs/dbraw/zinc/09/02/49/193090249.db2.gz HFIAICRLCXYAAE-BZUAXINKSA-N 1 0 302.418 3.174 10 0 DGAERO Cc1c(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cccc1C(F)(F)F ZINC000135235985 432107134 /nfs/dbraw/zinc/10/71/34/432107134.db2.gz RACKSJOVOQUIIR-LLVKDONJSA-N 1 0 315.339 3.182 10 0 DGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000078691175 283868924 /nfs/dbraw/zinc/86/89/24/283868924.db2.gz FZCXCRUHPIIPRS-CHWSQXEVSA-N 1 0 310.413 3.180 10 0 DGAERO CC(C)(O)C[N@H+](Cc1ccc(Br)c(F)c1)C1CC1 ZINC000189973246 432108613 /nfs/dbraw/zinc/10/86/13/432108613.db2.gz SRDWVXICKSZSQW-UHFFFAOYSA-N 1 0 316.214 3.324 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCC12CCCC2)COc1ccccc1Cl ZINC000451465339 241131570 /nfs/dbraw/zinc/13/15/70/241131570.db2.gz GMKPZDKNBWCYFT-CZUORRHYSA-N 1 0 309.837 3.392 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCC12CCCC2)COc1ccccc1Cl ZINC000451465337 241131948 /nfs/dbraw/zinc/13/19/48/241131948.db2.gz GMKPZDKNBWCYFT-BBRMVZONSA-N 1 0 309.837 3.392 10 0 DGAERO Clc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000246217521 432109048 /nfs/dbraw/zinc/10/90/48/432109048.db2.gz AXGIMPQACLVKLN-AWEZNQCLSA-N 1 0 301.821 3.168 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451807122 241240645 /nfs/dbraw/zinc/24/06/45/241240645.db2.gz GXRYEFSTCVKUEJ-CQSZACIVSA-N 1 0 314.429 3.142 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000171165133 432109235 /nfs/dbraw/zinc/10/92/35/432109235.db2.gz BDVMNOPOTXODPV-QGZVFWFLSA-N 1 0 303.450 3.091 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000246232109 432110015 /nfs/dbraw/zinc/11/00/15/432110015.db2.gz UHWQZKROAFMZKY-RHSMWYFYSA-N 1 0 302.443 3.230 10 0 DGAERO CC(C)[NH2+]C[C@@H](O)COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000215993266 201476183 /nfs/dbraw/zinc/47/61/83/201476183.db2.gz NACJSVRGPPMZRS-BVIKNXMNSA-N 1 0 303.446 3.328 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000171173005 432110234 /nfs/dbraw/zinc/11/02/34/432110234.db2.gz BSKRHUHLQQASDK-OAHLLOKOSA-N 1 0 319.449 3.247 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)CCC2CC2)cc1 ZINC000135286262 432110542 /nfs/dbraw/zinc/11/05/42/432110542.db2.gz YNMNBAYYYGFEGA-SFHVURJKSA-N 1 0 316.445 3.091 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000246263020 432113495 /nfs/dbraw/zinc/11/34/95/432113495.db2.gz OUJLHMPGEUTLHU-CEXWTWQISA-N 1 0 308.425 3.106 10 0 DGAERO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(OCc2ccccc2)cc1 ZINC000261561763 283963709 /nfs/dbraw/zinc/96/37/09/283963709.db2.gz VUEXLPBGWUFWNI-GOSISDBHSA-N 1 0 324.424 3.138 10 0 DGAERO C[C@@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1F ZINC000171208210 432113014 /nfs/dbraw/zinc/11/30/14/432113014.db2.gz BYJUAAJOOZFMPW-AWEZNQCLSA-N 1 0 304.409 3.016 10 0 DGAERO Fc1ccccc1-c1nc(CN2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000246262799 432113036 /nfs/dbraw/zinc/11/30/36/432113036.db2.gz GLUNYZKEJWIIRM-AWEZNQCLSA-N 1 0 317.433 3.229 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732901 283960984 /nfs/dbraw/zinc/96/09/84/283960984.db2.gz XEVGKLFDWIPJGG-MOPGFXCFSA-N 1 0 324.472 3.365 10 0 DGAERO Cc1cc2cc(NC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)ccc2[nH]1 ZINC000246267117 432113198 /nfs/dbraw/zinc/11/31/98/432113198.db2.gz ADWOMVFJFDENJI-SJKOYZFVSA-N 1 0 314.433 3.327 10 0 DGAERO O=C(NC1CC[NH+](C2CCCC2)CC1)c1scnc1C1CC1 ZINC000089847768 283969439 /nfs/dbraw/zinc/96/94/39/283969439.db2.gz RNKOJFZDRBKSBI-UHFFFAOYSA-N 1 0 319.474 3.157 10 0 DGAERO NC(=O)c1csc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000092121481 193164968 /nfs/dbraw/zinc/16/49/68/193164968.db2.gz SGIOQUXTVABSAC-OAHLLOKOSA-N 1 0 318.417 3.193 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000090938219 283996027 /nfs/dbraw/zinc/99/60/27/283996027.db2.gz CRLGQHDKIBQIEZ-HOTGVXAUSA-N 1 0 321.424 3.444 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000090938667 283996168 /nfs/dbraw/zinc/99/61/68/283996168.db2.gz YENKNEDKAGKUBN-CVEARBPZSA-N 1 0 321.424 3.444 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000091553535 284001709 /nfs/dbraw/zinc/00/17/09/284001709.db2.gz ABXNNXXLYYAYRK-SFHVURJKSA-N 1 0 301.409 3.386 10 0 DGAERO CC(C)c1ccc(/C=C\CC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000457386889 242742664 /nfs/dbraw/zinc/74/26/64/242742664.db2.gz UGMZYIXPPNTLGW-ARJAWSKDSA-N 1 0 300.446 3.329 10 0 DGAERO Cn1cc(C[N@H+](C)CCc2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000092162147 193168923 /nfs/dbraw/zinc/16/89/23/193168923.db2.gz IMEQEHGQCODZCD-UHFFFAOYSA-N 1 0 324.403 3.296 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccccc1)C(C)C ZINC000101786742 284019752 /nfs/dbraw/zinc/01/97/52/284019752.db2.gz FPERQVCQDODFNT-MRXNPFEDSA-N 1 0 305.466 3.337 10 0 DGAERO O=C(N[C@@H]1CCCC(F)(F)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000488971291 284022354 /nfs/dbraw/zinc/02/23/54/284022354.db2.gz DWSKTJDTKRAZPR-UONOGXRCSA-N 1 0 314.420 3.335 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C)c2)cc1F ZINC000102698662 284023356 /nfs/dbraw/zinc/02/33/56/284023356.db2.gz JHFKZBDZLRGDTO-ZDUSSCGKSA-N 1 0 316.376 3.432 10 0 DGAERO CCCOc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000092228012 193176076 /nfs/dbraw/zinc/17/60/76/193176076.db2.gz GQNYMVFLORVKAM-GOEBONIOSA-N 1 0 317.433 3.176 10 0 DGAERO CC(C)COC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000092223340 193176799 /nfs/dbraw/zinc/17/67/99/193176799.db2.gz RRXQXOCWHYHZHY-UHFFFAOYSA-N 1 0 314.433 3.109 10 0 DGAERO Cc1sc2ncnc(N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2c1C ZINC000103994897 284033715 /nfs/dbraw/zinc/03/37/15/284033715.db2.gz IRIIKBAMDRJAAE-FUNVUKJBSA-N 1 0 302.447 3.027 10 0 DGAERO Cc1cc(NC(=O)Cn2ncc3ccccc32)ccc1C[NH+](C)C ZINC000458283122 243018606 /nfs/dbraw/zinc/01/86/06/243018606.db2.gz MCWIXGRXMRFWNG-UHFFFAOYSA-N 1 0 322.412 3.045 10 0 DGAERO CCOC[C@H](C)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000104355087 284035623 /nfs/dbraw/zinc/03/56/23/284035623.db2.gz IZOBFRIINVBSDA-NHYWBVRUSA-N 1 0 312.251 3.321 10 0 DGAERO O=C(NCc1cccc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105204184 284038838 /nfs/dbraw/zinc/03/88/38/284038838.db2.gz UIXWKOCEXLVMNB-SFHVURJKSA-N 1 0 323.440 3.220 10 0 DGAERO C[NH+](C)CC(C)(C)NC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000458732533 243141737 /nfs/dbraw/zinc/14/17/37/243141737.db2.gz LYJHOFJCSKLSFZ-CTYIDZIISA-N 1 0 323.868 3.225 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C/C=C/c1ccc(C)cc1 ZINC000246301659 432117559 /nfs/dbraw/zinc/11/75/59/432117559.db2.gz BECMNVKHFMJRST-MPTZACGUSA-N 1 0 312.457 3.484 10 0 DGAERO Cc1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000107723619 284057088 /nfs/dbraw/zinc/05/70/88/284057088.db2.gz DFXMFMKUANKABR-SFHVURJKSA-N 1 0 315.461 3.155 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000108335495 284059681 /nfs/dbraw/zinc/05/96/81/284059681.db2.gz ZGZUBBMBOCKFSB-NSHDSACASA-N 1 0 306.793 3.158 10 0 DGAERO CCn1nncc1CN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000459278717 243312634 /nfs/dbraw/zinc/31/26/34/243312634.db2.gz KKSKXTDWKPGMRF-LRDDRELGSA-N 1 0 300.406 3.179 10 0 DGAERO CCC[N@H+](Cc1cnnn1CC)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000459349637 243345180 /nfs/dbraw/zinc/34/51/80/243345180.db2.gz XWTGOZQDCKCNHP-IRXDYDNUSA-N 1 0 320.481 3.248 10 0 DGAERO Clc1ccc(COCC[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459463120 243380268 /nfs/dbraw/zinc/38/02/68/243380268.db2.gz VLAATQMDLQLRNB-UHFFFAOYSA-N 1 0 317.820 3.314 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(-c2ccco2)n1 ZINC000246310838 432117893 /nfs/dbraw/zinc/11/78/93/432117893.db2.gz QSLONTALJSRXEO-GJZGRUSLSA-N 1 0 317.458 3.462 10 0 DGAERO O[C@H]1[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)CCC12CCOCC2 ZINC000459537328 243407111 /nfs/dbraw/zinc/40/71/11/243407111.db2.gz HXJKOAZHBOGMNI-MOPGFXCFSA-N 1 0 315.457 3.221 10 0 DGAERO CCc1ccc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)s1 ZINC000246319263 432118200 /nfs/dbraw/zinc/11/82/00/432118200.db2.gz NWOFEZKTLAWWPM-ZIAGYGMSSA-N 1 0 321.490 3.079 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)N1CCCC(C)(C)C1)c1ccccc1 ZINC000112739830 284095498 /nfs/dbraw/zinc/09/54/98/284095498.db2.gz NTDVHKJTPSWJAZ-INIZCTEOSA-N 1 0 303.450 3.121 10 0 DGAERO CC1CC[NH+](CCCNC(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000465615029 243846451 /nfs/dbraw/zinc/84/64/51/243846451.db2.gz GLLXXZFRCIXOMF-UHFFFAOYSA-N 1 0 321.509 3.474 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114582238 284109356 /nfs/dbraw/zinc/10/93/56/284109356.db2.gz OHXBXGHSAUPVJC-SFHVURJKSA-N 1 0 307.482 3.250 10 0 DGAERO CC(C)(C)[NH+]1CCC(Nc2ccc(N3CCC3=O)cc2)CC1 ZINC000467538868 243999708 /nfs/dbraw/zinc/99/97/08/243999708.db2.gz YUHGHQMIWDKXHZ-UHFFFAOYSA-N 1 0 301.434 3.098 10 0 DGAERO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)s1 ZINC000468893306 244071275 /nfs/dbraw/zinc/07/12/75/244071275.db2.gz GATAGNZLCDVVJU-KGLIPLIRSA-N 1 0 313.488 3.210 10 0 DGAERO O[C@H](C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)CC(F)(F)F ZINC000469579193 244113134 /nfs/dbraw/zinc/11/31/34/244113134.db2.gz TYKHIDPIDYTWGP-CABCVRRESA-N 1 0 301.352 3.397 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000093076522 193200590 /nfs/dbraw/zinc/20/05/90/193200590.db2.gz AGZMXFGPSXWKMO-LJQANCHMSA-N 1 0 315.461 3.364 10 0 DGAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)O1 ZINC000261924949 203154614 /nfs/dbraw/zinc/15/46/14/203154614.db2.gz ZBYYJKPEFOPFHU-WBMJQRKESA-N 1 0 310.353 3.031 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C(C)C)C(F)(F)F)C[C@@H]1C ZINC000470455281 244172324 /nfs/dbraw/zinc/17/23/24/244172324.db2.gz HEFZLQIMZLKPMH-XQQFMLRXSA-N 1 0 323.403 3.088 10 0 DGAERO C[N@H+](Cc1cccc2[nH]ccc21)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093104792 193204761 /nfs/dbraw/zinc/20/47/61/193204761.db2.gz OLVMSXSFPUHIDC-LJQANCHMSA-N 1 0 319.408 3.405 10 0 DGAERO COc1c(Br)cccc1C[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC000471823771 244255540 /nfs/dbraw/zinc/25/55/40/244255540.db2.gz ZELBKSXWVAXTDT-VXGBXAGGSA-N 1 0 314.223 3.115 10 0 DGAERO C[C@H]1Cc2ccccc2N1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119067818 284133489 /nfs/dbraw/zinc/13/34/89/284133489.db2.gz ZOEQXLMIVXZQTF-UQPPLGOBSA-N 1 0 315.461 3.268 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CCC(C)(C)CC3)CC[C@H]21 ZINC000119109733 284134624 /nfs/dbraw/zinc/13/46/24/284134624.db2.gz IAMMIHHBBGMELT-GDBMZVCRSA-N 1 0 307.482 3.081 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ncccc1C ZINC000093170645 193210947 /nfs/dbraw/zinc/21/09/47/193210947.db2.gz CQSRGGNUZVLPNW-INIZCTEOSA-N 1 0 312.413 3.201 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473649751 244344550 /nfs/dbraw/zinc/34/45/50/244344550.db2.gz FFKRLLZIHYHEGW-KBAYOESNSA-N 1 0 318.436 3.452 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000119459063 284143699 /nfs/dbraw/zinc/14/36/99/284143699.db2.gz CBAWRHBZPIRGQD-LDCOFTPGSA-N 1 0 304.821 3.096 10 0 DGAERO CCCC[C@@H](COC)[NH2+][C@H]1CCN(c2ccccc2OC)C1 ZINC000119683287 284148741 /nfs/dbraw/zinc/14/87/41/284148741.db2.gz HCCKYJBNENYDRP-HOTGVXAUSA-N 1 0 306.450 3.069 10 0 DGAERO CCn1nc(C)c([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1C ZINC000119805382 284152732 /nfs/dbraw/zinc/15/27/32/284152732.db2.gz NJDYZENCYRTWDP-LBPRGKRZSA-N 1 0 324.469 3.085 10 0 DGAERO Cc1cccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1C ZINC000093272546 193222641 /nfs/dbraw/zinc/22/26/41/193222641.db2.gz OURXMGYKTPDQCZ-UHFFFAOYSA-N 1 0 310.445 3.194 10 0 DGAERO Cc1cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)ccc1F ZINC000093272555 193222788 /nfs/dbraw/zinc/22/27/88/193222788.db2.gz BULIOMYEDHIXIB-UHFFFAOYSA-N 1 0 314.408 3.025 10 0 DGAERO CCc1cc(C)c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)o1 ZINC000120213930 284163441 /nfs/dbraw/zinc/16/34/41/284163441.db2.gz XRBPJWNUQIFXEI-HNNXBMFYSA-N 1 0 304.434 3.241 10 0 DGAERO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387351 193242141 /nfs/dbraw/zinc/24/21/41/193242141.db2.gz DRBHWHTYEIYGAY-MRXNPFEDSA-N 1 0 321.428 3.488 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)Cc2cc(C(N)=O)cs2)cc1 ZINC000093535146 193266300 /nfs/dbraw/zinc/26/63/00/193266300.db2.gz PWCMFKYJUMTPGO-ZDUSSCGKSA-N 1 0 302.443 3.218 10 0 DGAERO COc1c(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c(C)nn1C ZINC000093561757 193267957 /nfs/dbraw/zinc/26/79/57/193267957.db2.gz LJUKDZFHHBXSCQ-WFASDCNBSA-N 1 0 317.408 3.254 10 0 DGAERO COc1c(C[N@@H+]2C[C@H](c3ccccc3C)C[C@H]2C)c(C)nn1C ZINC000093563008 193268674 /nfs/dbraw/zinc/26/86/74/193268674.db2.gz YUKHYJSFQFSJQF-GDBMZVCRSA-N 1 0 313.445 3.424 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)s1 ZINC000093691935 193290533 /nfs/dbraw/zinc/29/05/33/193290533.db2.gz BBMANMVAXYFUNP-HNNXBMFYSA-N 1 0 317.458 3.390 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccccc1OCCOC ZINC000093764646 193301086 /nfs/dbraw/zinc/30/10/86/193301086.db2.gz JDEDWFCSEYWASA-UHFFFAOYSA-N 1 0 320.458 3.233 10 0 DGAERO Cc1cc(C)cc(CCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246354704 432120890 /nfs/dbraw/zinc/12/08/90/432120890.db2.gz XGFJOSKXTOQKEW-FUHWJXTLSA-N 1 0 302.462 3.177 10 0 DGAERO COCCCOc1cccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000093645074 193280793 /nfs/dbraw/zinc/28/07/93/193280793.db2.gz SBYXPBFAMKTUII-WMZOPIPTSA-N 1 0 320.477 3.016 10 0 DGAERO CCc1nn(C)c(CC)c1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000093666283 193286929 /nfs/dbraw/zinc/28/69/29/193286929.db2.gz LCVQIHHSJRPCKY-MRXNPFEDSA-N 1 0 319.493 3.469 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3cccnc3C)C2)c1 ZINC000093838096 193315163 /nfs/dbraw/zinc/31/51/63/193315163.db2.gz OOHROMWZXXAOFS-INIZCTEOSA-N 1 0 312.413 3.397 10 0 DGAERO COc1cc(C[N@@H+]2CCS[C@@H](C(C)C)C2)cc2c1OCCO2 ZINC000093869158 193321091 /nfs/dbraw/zinc/32/10/91/193321091.db2.gz DFWQHCNTKAYOFR-MRXNPFEDSA-N 1 0 323.458 3.040 10 0 DGAERO CCC[C@H](C(=O)Nc1cc(Br)ccc1F)[NH+](C)C ZINC000094034092 193340127 /nfs/dbraw/zinc/34/01/27/193340127.db2.gz QQHPLLOAXGTDQO-GFCCVEGCSA-N 1 0 317.202 3.257 10 0 DGAERO c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCC[C@H]1C1=CCCCC1)CC2 ZINC000246344740 432121295 /nfs/dbraw/zinc/12/12/95/432121295.db2.gz HBPLICGAQCYVLS-YESZJQIVSA-N 1 0 300.450 3.242 10 0 DGAERO CSC[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000135469025 432121297 /nfs/dbraw/zinc/12/12/97/432121297.db2.gz IGEWTCZIOJMXNX-CQSZACIVSA-N 1 0 303.431 3.372 10 0 DGAERO CC[NH2+]CCC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095091567 193422555 /nfs/dbraw/zinc/42/25/55/193422555.db2.gz AODDWJUXXVDXLE-MRXNPFEDSA-N 1 0 304.434 3.425 10 0 DGAERO CC(C)C1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000121283389 284193210 /nfs/dbraw/zinc/19/32/10/284193210.db2.gz AKJARCAEZOKSBB-VXLLPVPCSA-N 1 0 309.498 3.325 10 0 DGAERO CC[C@H](C[NH2+]Cc1c(Br)cnn1C)c1ccccc1 ZINC000486962996 245005625 /nfs/dbraw/zinc/00/56/25/245005625.db2.gz FWBVDXBACQYAJF-GFCCVEGCSA-N 1 0 322.250 3.466 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cc(F)ccc2Cl)[C@@H](C)C1 ZINC000122412525 284219012 /nfs/dbraw/zinc/21/90/12/284219012.db2.gz JHMJDNUSTFFGCU-HZMBPMFUSA-N 1 0 313.804 3.329 10 0 DGAERO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2c(Br)cnn2C)C1 ZINC000487280820 245042183 /nfs/dbraw/zinc/04/21/83/245042183.db2.gz QXLLUODOADYGSV-NEPJUHHUSA-N 1 0 314.271 3.487 10 0 DGAERO Cc1cccc([C@H](C)C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000487274729 245042838 /nfs/dbraw/zinc/04/28/38/245042838.db2.gz GUBFLERGXDGALU-GFCCVEGCSA-N 1 0 322.250 3.384 10 0 DGAERO C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1c(Br)cnn1C ZINC000487309824 245046267 /nfs/dbraw/zinc/04/62/67/245046267.db2.gz OYEITHAJGCKZCK-VXGBXAGGSA-N 1 0 314.271 3.489 10 0 DGAERO O=C(Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171316997 432122813 /nfs/dbraw/zinc/12/28/13/432122813.db2.gz TWUAAGYBLSTNFR-LJQANCHMSA-N 1 0 314.473 3.344 10 0 DGAERO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@@H]1C)CCC2 ZINC000181285191 432122828 /nfs/dbraw/zinc/12/28/28/432122828.db2.gz NGTKLGLFTXHCMY-GZBFAFLISA-N 1 0 307.507 3.401 10 0 DGAERO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000181301724 432122751 /nfs/dbraw/zinc/12/27/51/432122751.db2.gz PHUSQMQADNFNOH-DLBZAZTESA-N 1 0 310.441 3.427 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c(OC)c1 ZINC000123110784 284232418 /nfs/dbraw/zinc/23/24/18/284232418.db2.gz ICCNKEHKDBMDMF-LSDHHAIUSA-N 1 0 308.466 3.331 10 0 DGAERO CC(C)OCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181307481 432122970 /nfs/dbraw/zinc/12/29/70/432122970.db2.gz LUIJYIVGQGHPAI-MRXNPFEDSA-N 1 0 314.433 3.076 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000123393167 284237639 /nfs/dbraw/zinc/23/76/39/284237639.db2.gz STJZRGMAOIJNJD-NEPJUHHUSA-N 1 0 317.260 3.365 10 0 DGAERO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3)C2=O)CS1 ZINC000488441326 245191173 /nfs/dbraw/zinc/19/11/73/245191173.db2.gz RXDMUIQXHVJDGK-BPUTZDHNSA-N 1 0 318.486 3.302 10 0 DGAERO CC(C)(C)OCC[NH2+]Cc1cc(F)ccc1Br ZINC000123721002 284244273 /nfs/dbraw/zinc/24/42/73/284244273.db2.gz IMXAZCXTJZWEHT-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000488748544 245230182 /nfs/dbraw/zinc/23/01/82/245230182.db2.gz CAADMJYXPZXORB-LPHOPBHVSA-N 1 0 311.425 3.468 10 0 DGAERO CCN(C)C(=O)CC[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000245693335 284268080 /nfs/dbraw/zinc/26/80/80/284268080.db2.gz QMRRDUBVEFVCPL-YOEHRIQHSA-N 1 0 306.475 3.033 10 0 DGAERO CCCCc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000125491775 284277144 /nfs/dbraw/zinc/27/71/44/284277144.db2.gz ZRWLADUMWHBEPE-LPHOPBHVSA-N 1 0 305.462 3.469 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccsc2Br)[C@H]2CCO[C@@H]21 ZINC000282489825 217034083 /nfs/dbraw/zinc/03/40/83/217034083.db2.gz QZBGYXOAERMGAQ-MXWKQRLJSA-N 1 0 316.264 3.414 10 0 DGAERO Cc1ncsc1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246381619 432125281 /nfs/dbraw/zinc/12/52/81/432125281.db2.gz ADVKTKICNMPYCC-ZIAGYGMSSA-N 1 0 306.431 3.175 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000126650786 284312569 /nfs/dbraw/zinc/31/25/69/284312569.db2.gz QXGMHKQDRAEKNQ-CABCVRRESA-N 1 0 313.445 3.387 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246397770 432126203 /nfs/dbraw/zinc/12/62/03/432126203.db2.gz BHSPHESUPVDFGQ-NVXWUHKLSA-N 1 0 301.386 3.376 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000246395375 432126956 /nfs/dbraw/zinc/12/69/56/432126956.db2.gz PPMMTLPVWNEZDZ-DZKIICNBSA-N 1 0 307.482 3.079 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C)n2)cc1 ZINC000127237233 284331995 /nfs/dbraw/zinc/33/19/95/284331995.db2.gz NEGLUYHLJSJSAS-HNNXBMFYSA-N 1 0 300.402 3.266 10 0 DGAERO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000127315423 284335155 /nfs/dbraw/zinc/33/51/55/284335155.db2.gz IOKQGTTYFOTBPU-RDJZCZTQSA-N 1 0 316.445 3.485 10 0 DGAERO O=C(Nc1cccc2[nH]ccc21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171542380 284353812 /nfs/dbraw/zinc/35/38/12/284353812.db2.gz WETXLCZQRJNGMD-CQSZACIVSA-N 1 0 312.417 3.260 10 0 DGAERO Cc1cccc([C@H]2CCCN2Cc2nnc(C3CCC3)n2C)n1 ZINC000181431722 432128275 /nfs/dbraw/zinc/12/82/75/432128275.db2.gz OJEVMHYWMXXMNH-MRXNPFEDSA-N 1 0 311.433 3.123 10 0 DGAERO CCc1cc(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)oc1CC ZINC000128521667 284378383 /nfs/dbraw/zinc/37/83/83/284378383.db2.gz VDOUCBMEMAGFDW-AWEZNQCLSA-N 1 0 306.450 3.208 10 0 DGAERO C[C@H]1CN(CCCO)CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000019365868 182119074 /nfs/dbraw/zinc/11/90/74/182119074.db2.gz NHRVCUIUGOAMRQ-SFHVURJKSA-N 1 0 324.468 3.165 10 0 DGAERO C[C@@H]1SCC[N@H+](C[C@@H](O)COC(C)(C)C)[C@@H]1c1ccccc1 ZINC000246433578 432130621 /nfs/dbraw/zinc/13/06/21/432130621.db2.gz TZCKSLHRJNXOIG-UAGQMJEPSA-N 1 0 323.502 3.341 10 0 DGAERO [NH3+][C@@H](c1ccc(Br)cc1)[C@@H]1Cc2ccccc2O1 ZINC000019477145 182124554 /nfs/dbraw/zinc/12/45/54/182124554.db2.gz PPZFKDBYDCHVPD-GJZGRUSLSA-N 1 0 304.187 3.453 10 0 DGAERO CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1nnc(C2CCC2)n1C ZINC000181507484 432131159 /nfs/dbraw/zinc/13/11/59/432131159.db2.gz DRPJIZJIPWUYOC-GJZGRUSLSA-N 1 0 320.481 3.108 10 0 DGAERO CC1CCN([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)CC1 ZINC000019997860 182175913 /nfs/dbraw/zinc/17/59/13/182175913.db2.gz UUJYBHCLGNDESS-AWEZNQCLSA-N 1 0 302.340 3.317 10 0 DGAERO NC(=[NH2+])CCN(Cc1cccnc1)c1ncc(Cl)cc1Cl ZINC000020016587 182178296 /nfs/dbraw/zinc/17/82/96/182178296.db2.gz GMEYPYPAYRPHJC-UHFFFAOYSA-N 1 0 324.215 3.116 10 0 DGAERO CCc1oc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1C ZINC000129713895 284421156 /nfs/dbraw/zinc/42/11/56/284421156.db2.gz HHGUEMQFWNGPKV-MRXNPFEDSA-N 1 0 314.429 3.053 10 0 DGAERO COc1cccc([C@H](C[NH3+])N(C)Cc2ccc(Cl)cc2)c1 ZINC000020225815 182198495 /nfs/dbraw/zinc/19/84/95/182198495.db2.gz WDAAWZJJLSSRCD-KRWDZBQOSA-N 1 0 304.821 3.480 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000190206019 432132280 /nfs/dbraw/zinc/13/22/80/432132280.db2.gz MZEIWTGNIGVCPI-YJBOKZPZSA-N 1 0 317.477 3.212 10 0 DGAERO COc1ccc(CN(C)[C@@H](C[NH3+])c2ccccc2Cl)cc1 ZINC000020225920 182198679 /nfs/dbraw/zinc/19/86/79/182198679.db2.gz BEYOLWCNJKTZPW-KRWDZBQOSA-N 1 0 304.821 3.480 10 0 DGAERO COc1ccccc1CN(C)[C@@H](C[NH3+])c1ccccc1Cl ZINC000020225916 182198824 /nfs/dbraw/zinc/19/88/24/182198824.db2.gz JJNNXGGORAXRJV-INIZCTEOSA-N 1 0 304.821 3.480 10 0 DGAERO COc1ccccc1[C@@H](C[NH3+])N(C)Cc1ccccc1Cl ZINC000020225760 182198857 /nfs/dbraw/zinc/19/88/57/182198857.db2.gz HLVMWLBOJDSYBD-MRXNPFEDSA-N 1 0 304.821 3.480 10 0 DGAERO CSc1ccsc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130042179 284430812 /nfs/dbraw/zinc/43/08/12/284430812.db2.gz ODKKMROOSZTDLQ-UHFFFAOYSA-N 1 0 312.504 3.320 10 0 DGAERO CC(C)[N@H+](C)CCC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000020552010 182230861 /nfs/dbraw/zinc/23/08/61/182230861.db2.gz ORQFEZIVGVYNRY-UHFFFAOYSA-N 1 0 304.221 3.244 10 0 DGAERO Cc1cc(-c2ccc(C[NH2+]C[C@@H](C)O)o2)ccc1Br ZINC000020875770 182251318 /nfs/dbraw/zinc/25/13/18/182251318.db2.gz DDHSUSNHJIXKHC-LLVKDONJSA-N 1 0 324.218 3.488 10 0 DGAERO CCCOc1c(Cl)cc(Cl)cc1CNCCC[NH2+]C ZINC000020967931 182256948 /nfs/dbraw/zinc/25/69/48/182256948.db2.gz OEHYFMODLQFKGF-UHFFFAOYSA-N 1 0 305.249 3.481 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000130366866 284440236 /nfs/dbraw/zinc/44/02/36/284440236.db2.gz CDBYPTOUOKEMKG-QZTJIDSGSA-N 1 0 302.462 3.273 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C/C=C/c1cccc(F)c1 ZINC000246460086 432133624 /nfs/dbraw/zinc/13/36/24/432133624.db2.gz MZLKZXBSISJTML-UHZVSMRUSA-N 1 0 304.409 3.028 10 0 DGAERO c1[nH]c2ccccc2c1C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000022027827 182304721 /nfs/dbraw/zinc/30/47/21/182304721.db2.gz IDIXRJMDVPQZIV-GOSISDBHSA-N 1 0 305.425 3.184 10 0 DGAERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(Cl)cc1F ZINC000246456962 432134217 /nfs/dbraw/zinc/13/42/17/432134217.db2.gz LWIYKHFPGMQGKO-NEPJUHHUSA-N 1 0 310.800 3.096 10 0 DGAERO CN(CCc1ccccc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000494387026 246142992 /nfs/dbraw/zinc/14/29/92/246142992.db2.gz QVLNUZBYCKTXAE-UHFFFAOYSA-N 1 0 302.462 3.200 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1F)c1ccco1 ZINC000246459523 432134261 /nfs/dbraw/zinc/13/42/61/432134261.db2.gz FQVZDSVJPZHIDO-XKQJLSEDSA-N 1 0 319.376 3.040 10 0 DGAERO Cc1noc(-c2cccs2)c1C(=O)NCC(C)(C)C[NH+](C)C ZINC000022336741 182319002 /nfs/dbraw/zinc/31/90/02/182319002.db2.gz QSGFMKOZVDKHKY-UHFFFAOYSA-N 1 0 321.446 3.029 10 0 DGAERO CCc1cc(C)c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000135096765 284461192 /nfs/dbraw/zinc/46/11/92/284461192.db2.gz UQZKTCBCGMGTGT-UHFFFAOYSA-N 1 0 316.401 3.343 10 0 DGAERO CCCOc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000246469767 432135260 /nfs/dbraw/zinc/13/52/60/432135260.db2.gz CRFAXUMPQFSDCC-NXHRZFHOSA-N 1 0 316.445 3.012 10 0 DGAERO Cc1noc(C)c1C[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000181548744 432136170 /nfs/dbraw/zinc/13/61/70/432136170.db2.gz VHNVCKYGZUFTQT-UHFFFAOYSA-N 1 0 301.390 3.038 10 0 DGAERO C[C@]12CC[C@@H]3c4ccc(OCC[NH3+])cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000098095926 193785477 /nfs/dbraw/zinc/78/54/77/193785477.db2.gz CMRRRUCMFIWSCT-LXZJYRNTSA-N 1 0 313.441 3.449 10 0 DGAERO C[C@@]1(C(=O)NCCc2ccc(Cl)cc2Cl)CCCC[NH2+]1 ZINC000136134674 284495424 /nfs/dbraw/zinc/49/54/24/284495424.db2.gz ABSXQDZIPQPABH-HNNXBMFYSA-N 1 0 315.244 3.184 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(Cc2ccccc2)CC1 ZINC000137110869 284514430 /nfs/dbraw/zinc/51/44/30/284514430.db2.gz SLMFJCJDQATMJX-KRWDZBQOSA-N 1 0 302.462 3.102 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)CC(C)C)[C@@H](C)C1 ZINC000246492393 432137668 /nfs/dbraw/zinc/13/76/68/432137668.db2.gz RUOAXGOPJKAVQE-JKSUJKDBSA-N 1 0 311.514 3.430 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cnccc2C)C12CCOCC2 ZINC000274406296 211587112 /nfs/dbraw/zinc/58/71/12/211587112.db2.gz FYZWHFNZUVGAPX-HYVNUMGLSA-N 1 0 304.434 3.015 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246508696 432138954 /nfs/dbraw/zinc/13/89/54/432138954.db2.gz WYGVNDMPDCNIPN-BQFCYCMXSA-N 1 0 317.477 3.489 10 0 DGAERO COc1c(C)ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000171517724 432140128 /nfs/dbraw/zinc/14/01/28/432140128.db2.gz RVOKMIZWXIQWSK-OAHLLOKOSA-N 1 0 317.433 3.014 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246514253 432140459 /nfs/dbraw/zinc/14/04/59/432140459.db2.gz OCEVBTUKRKSUHL-VSZNYVQBSA-N 1 0 304.478 3.288 10 0 DGAERO Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000181658962 432140826 /nfs/dbraw/zinc/14/08/26/432140826.db2.gz HMCBVIDLXUIMDS-ZBFHGGJFSA-N 1 0 315.461 3.081 10 0 DGAERO Cc1oncc1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000181698107 432142132 /nfs/dbraw/zinc/14/21/32/432142132.db2.gz YDKSHZWCLIBKGY-UHFFFAOYSA-N 1 0 311.429 3.258 10 0 DGAERO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1C[C@H]1C1CC1 ZINC000246546120 432142685 /nfs/dbraw/zinc/14/26/85/432142685.db2.gz QOPIUHYLQYKHPM-HLKUOHOZSA-N 1 0 324.468 3.344 10 0 DGAERO CCN(C(C)C)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000037081801 182866212 /nfs/dbraw/zinc/86/62/12/182866212.db2.gz ZYMMGJORLLJSEF-ZDUSSCGKSA-N 1 0 303.219 3.318 10 0 DGAERO CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246551962 432143338 /nfs/dbraw/zinc/14/33/38/432143338.db2.gz TZNCBNXGSWWUIR-RCCFBDPRSA-N 1 0 302.462 3.374 10 0 DGAERO Fc1ccc(-c2nc(CC[NH2+]Cc3cncs3)co2)cc1 ZINC000136062468 432143781 /nfs/dbraw/zinc/14/37/81/432143781.db2.gz ATPOFDRONOYYFJ-UHFFFAOYSA-N 1 0 303.362 3.270 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2ccco2)n1 ZINC000136073582 432143826 /nfs/dbraw/zinc/14/38/26/432143826.db2.gz QSLONTALJSRXEO-LSDHHAIUSA-N 1 0 317.458 3.462 10 0 DGAERO O=C(c1ccc2ncccc2c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107526011 296242791 /nfs/dbraw/zinc/24/27/91/296242791.db2.gz BWPYBNMKQBBCDV-GOSISDBHSA-N 1 0 323.440 3.325 10 0 DGAERO CC1(C)CCC[C@@H]([NH2+]CC(=O)N2CCc3sccc3C2)C1 ZINC000136063352 432144569 /nfs/dbraw/zinc/14/45/69/432144569.db2.gz LZOCBUNTJXVWKV-CQSZACIVSA-N 1 0 306.475 3.191 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000246579159 432144783 /nfs/dbraw/zinc/14/47/83/432144783.db2.gz RZIRUMACJKVAPQ-ZVZYQTTQSA-N 1 0 319.493 3.223 10 0 DGAERO O[C@@H](CN1CCO[C@@H](c2ccc(F)cc2)C1)C1CCCCC1 ZINC000190370519 432147891 /nfs/dbraw/zinc/14/78/91/432147891.db2.gz ZSTNGWFURCPLOT-ZWKOTPCHSA-N 1 0 307.409 3.140 10 0 DGAERO CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C[NH3+])cc1 ZINC000037808701 182928146 /nfs/dbraw/zinc/92/81/46/182928146.db2.gz JPEJLWKIVPDQPS-UHFFFAOYSA-N 1 0 302.805 3.461 10 0 DGAERO CSCc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246602220 432148905 /nfs/dbraw/zinc/14/89/05/432148905.db2.gz ZRWHVONNJASAMD-CZUORRHYSA-N 1 0 321.490 3.400 10 0 DGAERO Cc1ccc2c(c1)[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)[C@@H](C)C2 ZINC000181899640 432149189 /nfs/dbraw/zinc/14/91/89/432149189.db2.gz PDWLIENMTFRCOT-MAUKXSAKSA-N 1 0 317.477 3.210 10 0 DGAERO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527691758 295116181 /nfs/dbraw/zinc/11/61/81/295116181.db2.gz NVNQTPMJXLVDNS-OQPBUACISA-N 1 0 320.177 3.384 10 0 DGAERO O=C(Nc1cccnc1SCC[NH+]1CCCC1)C1CCCC1 ZINC000040455677 183067973 /nfs/dbraw/zinc/06/79/73/183067973.db2.gz WCPPQRKXCBHIMZ-UHFFFAOYSA-N 1 0 319.474 3.398 10 0 DGAERO C[C@H](C[N@H+](C1CC1)[C@H]1CCCc2ccccc21)CS(C)(=O)=O ZINC000246638878 432149785 /nfs/dbraw/zinc/14/97/85/432149785.db2.gz UGEMGWCOIWHENY-KDOFPFPSSA-N 1 0 321.486 3.209 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nc(CC)nc32)C1(C)C ZINC000181882205 432149763 /nfs/dbraw/zinc/14/97/63/432149763.db2.gz JRRZDXPTNJCCQO-RBSFLKMASA-N 1 0 320.481 3.249 10 0 DGAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1 ZINC000153269097 284664658 /nfs/dbraw/zinc/66/46/58/284664658.db2.gz AQBPRLZDRVUTTH-IAGOWNOFSA-N 1 0 320.477 3.093 10 0 DGAERO CCCN(CC[NH2+]C)Cc1ccc(Br)cc1F ZINC000042404271 183264472 /nfs/dbraw/zinc/26/44/72/183264472.db2.gz PXCHEKOWAIPSTM-UHFFFAOYSA-N 1 0 303.219 3.020 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000042481477 183275690 /nfs/dbraw/zinc/27/56/90/183275690.db2.gz HSSSJZWTMIDQDK-MRXNPFEDSA-N 1 0 318.461 3.113 10 0 DGAERO Cc1c(C[NH2+]C2CC2)cnn1-c1cccc(Br)c1 ZINC000042355860 183257261 /nfs/dbraw/zinc/25/72/61/183257261.db2.gz ZBWHSJRLLKAVND-UHFFFAOYSA-N 1 0 306.207 3.195 10 0 DGAERO CCN(CC[NH2+]C(C)C)Cc1ccc(F)cc1Br ZINC000042387044 183262536 /nfs/dbraw/zinc/26/25/36/183262536.db2.gz SKFWUKURUBNQCV-UHFFFAOYSA-N 1 0 317.246 3.408 10 0 DGAERO CC(C)CN(C(C)C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042579245 183287035 /nfs/dbraw/zinc/28/70/35/183287035.db2.gz YYSKGULBDXTKTJ-NSHDSACASA-N 1 0 303.244 3.408 10 0 DGAERO C[C@@H]([NH3+])[C@H](OC1CCOCC1)c1ccc(Br)cc1 ZINC000042958464 183323564 /nfs/dbraw/zinc/32/35/64/183323564.db2.gz UMLQDMKBQYCSKT-YGRLFVJLSA-N 1 0 314.223 3.033 10 0 DGAERO Cc1cnc(S[C@@H](C[NH3+])c2ccc(Br)cc2)nc1 ZINC000042959913 183323708 /nfs/dbraw/zinc/32/37/08/183323708.db2.gz SYZBBOUVIZQCAG-LBPRGKRZSA-N 1 0 324.247 3.340 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)n1cc(Br)cn1 ZINC000042973236 183324473 /nfs/dbraw/zinc/32/44/73/183324473.db2.gz JGGUUKYIOOBVOI-OLZOCXBDSA-N 1 0 312.186 3.111 10 0 DGAERO [NH3+]C[C@H](c1cccc(Br)c1)n1cnc2ccccc21 ZINC000043022089 183329437 /nfs/dbraw/zinc/32/94/37/183329437.db2.gz XSJRQKLCILSPRO-OAHLLOKOSA-N 1 0 316.202 3.347 10 0 DGAERO CCc1nccn1[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022266 183329785 /nfs/dbraw/zinc/32/97/85/183329785.db2.gz LHKKZSSQTVDHCZ-IINYFYTJSA-N 1 0 308.223 3.145 10 0 DGAERO CC(C)OCCO[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043023048 183330536 /nfs/dbraw/zinc/33/05/36/183330536.db2.gz CYGLEOBFWBNWOB-SMDDNHRTSA-N 1 0 316.239 3.279 10 0 DGAERO Cc1cc(C)n([C@H](c2ccccc2Br)[C@@H](C)[NH3+])n1 ZINC000043093700 183336732 /nfs/dbraw/zinc/33/67/32/183336732.db2.gz JYVULIVAWLUMPM-RISCZKNCSA-N 1 0 308.223 3.199 10 0 DGAERO C[C@@H]([NH3+])[C@@H](Sc1ncccn1)c1ccccc1Br ZINC000043096028 183337351 /nfs/dbraw/zinc/33/73/51/183337351.db2.gz SMOPZMVXXCPENU-BXKDBHETSA-N 1 0 324.247 3.420 10 0 DGAERO C[C@@H]([NH3+])[C@H](Sc1ncccn1)c1ccccc1Br ZINC000043096024 183337491 /nfs/dbraw/zinc/33/74/91/183337491.db2.gz SMOPZMVXXCPENU-SKDRFNHKSA-N 1 0 324.247 3.420 10 0 DGAERO C[C@H]1CC[C@H](C[NH3+])CN1Cc1cc(Br)cs1 ZINC000043687683 183381509 /nfs/dbraw/zinc/38/15/09/183381509.db2.gz CERFMAVPNZKVQP-VHSXEESVSA-N 1 0 303.269 3.070 10 0 DGAERO c1cc(-c2noc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)no1 ZINC000274066259 211326063 /nfs/dbraw/zinc/32/60/63/211326063.db2.gz WHSBAFKSNNGONQ-AWEZNQCLSA-N 1 0 310.357 3.104 10 0 DGAERO Cn1ccnc1[C@H]([NH2+]Cc1cccc2[nH]ccc21)C1CCOCC1 ZINC000284429982 218023831 /nfs/dbraw/zinc/02/38/31/218023831.db2.gz FOIHDLIHGKZWOJ-GOSISDBHSA-N 1 0 324.428 3.159 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000104383953 194004607 /nfs/dbraw/zinc/00/46/07/194004607.db2.gz CNYIYZJQLDOBSU-HNNXBMFYSA-N 1 0 321.490 3.032 10 0 DGAERO CCCOc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104980390 194061013 /nfs/dbraw/zinc/06/10/13/194061013.db2.gz GWRYHYDUZKGTEK-HNNXBMFYSA-N 1 0 317.433 3.177 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1F ZINC000105802341 194132413 /nfs/dbraw/zinc/13/24/13/194132413.db2.gz DOLQBZUVTARRMZ-TZMCWYRMSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1Cl ZINC000105872246 194151103 /nfs/dbraw/zinc/15/11/03/194151103.db2.gz CSSAHICVKOQVGC-ONGXEEELSA-N 1 0 311.216 3.251 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)CC2 ZINC000105874365 194152999 /nfs/dbraw/zinc/15/29/99/194152999.db2.gz MGVRVKSJZPQDKE-YPMHNXCESA-N 1 0 320.387 3.345 10 0 DGAERO c1cnn(CC2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000105886038 194156527 /nfs/dbraw/zinc/15/65/27/194156527.db2.gz FKTXIHIIBAIAGJ-UHFFFAOYSA-N 1 0 322.412 3.450 10 0 DGAERO c1cnn(CC2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000105886720 194156583 /nfs/dbraw/zinc/15/65/83/194156583.db2.gz SKTLBHFQSLCKCZ-UHFFFAOYSA-N 1 0 306.413 3.344 10 0 DGAERO FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105883744 194157219 /nfs/dbraw/zinc/15/72/19/194157219.db2.gz AKRACBRGLANCCH-AWEZNQCLSA-N 1 0 324.350 3.209 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000105897757 194161993 /nfs/dbraw/zinc/16/19/93/194161993.db2.gz HGQCCSRAVDRZAZ-ZDUSSCGKSA-N 1 0 319.371 3.051 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)c3ccc(Cl)cc3)C2)c1 ZINC000105901148 194165712 /nfs/dbraw/zinc/16/57/12/194165712.db2.gz GDNMPTGFUBNOJO-IRXDYDNUSA-N 1 0 319.836 3.215 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000154627863 284764518 /nfs/dbraw/zinc/76/45/18/284764518.db2.gz HVBGSGCIWUUICO-DOTOQJQBSA-N 1 0 320.477 3.389 10 0 DGAERO CCOc1ccc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1F ZINC000106290325 194193879 /nfs/dbraw/zinc/19/38/79/194193879.db2.gz WAGWBZIYTFKGGY-HZSPNIEDSA-N 1 0 322.424 3.102 10 0 DGAERO Cc1ccc(N2CCC[N@H+](Cc3cccc(Cl)c3)CC2)nn1 ZINC000106071721 194184271 /nfs/dbraw/zinc/18/42/71/194184271.db2.gz HXQLKYNKFJWBRJ-UHFFFAOYSA-N 1 0 316.836 3.151 10 0 DGAERO CC[C@H](c1ccccc1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000106154640 194189277 /nfs/dbraw/zinc/18/92/77/194189277.db2.gz ZTCCXAVSVOKSNW-LJQANCHMSA-N 1 0 312.461 3.079 10 0 DGAERO CC[C@@H](c1ccccc1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000106154637 194189675 /nfs/dbraw/zinc/18/96/75/194189675.db2.gz ZTCCXAVSVOKSNW-IBGZPJMESA-N 1 0 312.461 3.079 10 0 DGAERO CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106424275 194212045 /nfs/dbraw/zinc/21/20/45/194212045.db2.gz OZOPSNUEQYRHPQ-GOSISDBHSA-N 1 0 312.413 3.197 10 0 DGAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212730063 284785206 /nfs/dbraw/zinc/78/52/06/284785206.db2.gz LJTWUIVZOWBKAH-MNOVXSKESA-N 1 0 300.805 3.435 10 0 DGAERO Brc1ccsc1COCC[C@@H]1CCC[NH2+]C1 ZINC000051918189 183841852 /nfs/dbraw/zinc/84/18/52/183841852.db2.gz OMTCWAIWQXMODE-JTQLQIEISA-N 1 0 304.253 3.417 10 0 DGAERO Fc1ccc(N2CC[C@H](C[NH2+]C3CC3)C2)c(Br)c1 ZINC000053013093 183883439 /nfs/dbraw/zinc/88/34/39/183883439.db2.gz MMRDUDYRUSKCJH-SNVBAGLBSA-N 1 0 313.214 3.167 10 0 DGAERO Brc1cccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000268861315 207029668 /nfs/dbraw/zinc/02/96/68/207029668.db2.gz SCJHVZSWUGWSTQ-CYBMUJFWSA-N 1 0 306.207 3.339 10 0 DGAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000110791839 194359176 /nfs/dbraw/zinc/35/91/76/194359176.db2.gz FAYCYHHWHOUWDZ-SNVBAGLBSA-N 1 0 301.217 3.113 10 0 DGAERO O=C(Cc1ccc(Cl)c(Cl)c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000110791783 194359441 /nfs/dbraw/zinc/35/94/41/194359441.db2.gz KIJCNHXMCQTELS-NSHDSACASA-N 1 0 315.244 3.042 10 0 DGAERO CC[C@H](C[NH2+]CCOC)Cc1cccc(Br)c1 ZINC000054663489 183947710 /nfs/dbraw/zinc/94/77/10/183947710.db2.gz UBNRLKFAHNRJBG-LBPRGKRZSA-N 1 0 300.240 3.254 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000246445602 284897122 /nfs/dbraw/zinc/89/71/22/284897122.db2.gz LDSXOOLRVMFPAA-LJISPDSOSA-N 1 0 322.399 3.057 10 0 DGAERO [NH3+][C@@H](Cc1ccncc1)Cc1cc(Br)ccc1F ZINC000060708699 184154448 /nfs/dbraw/zinc/15/44/48/184154448.db2.gz FIAATHJCAKTFRS-ZDUSSCGKSA-N 1 0 309.182 3.096 10 0 DGAERO C[NH2+][C@H](Cc1ccc(Br)s1)Cc1ccncc1 ZINC000060709089 184154505 /nfs/dbraw/zinc/15/45/05/184154505.db2.gz AFEIXXMPZAVRSR-NSHDSACASA-N 1 0 311.248 3.279 10 0 DGAERO CC[NH2+]C[C@H](C)C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000061235902 184166583 /nfs/dbraw/zinc/16/65/83/184166583.db2.gz NHPRCAGCQZCFQI-JTQLQIEISA-N 1 0 303.233 3.197 10 0 DGAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000061294653 184167787 /nfs/dbraw/zinc/16/77/87/184167787.db2.gz GJNFHRVKTSWDJK-UHFFFAOYSA-N 1 0 303.233 3.340 10 0 DGAERO O=C(c1cc(Cl)ccc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605931 184177241 /nfs/dbraw/zinc/17/72/41/184177241.db2.gz JZLJRVXMJKRVLY-UHFFFAOYSA-N 1 0 313.228 3.304 10 0 DGAERO CC(C)OCCOc1ccc([C@H](C)[NH3+])cc1Br ZINC000061698908 184183924 /nfs/dbraw/zinc/18/39/24/184183924.db2.gz PAWNBSWHCZHULY-JTQLQIEISA-N 1 0 302.212 3.273 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000246496383 284902457 /nfs/dbraw/zinc/90/24/57/284902457.db2.gz RSLLPARXEMAKDT-FGTMMUONSA-N 1 0 314.473 3.486 10 0 DGAERO CCO[C@H](C[NH3+])CCn1cc(Br)c2ccccc21 ZINC000062741481 184252244 /nfs/dbraw/zinc/25/22/44/184252244.db2.gz NRBZCGOUZBHQAU-NSHDSACASA-N 1 0 311.223 3.158 10 0 DGAERO CCC[C@]1(c2nc3cc(Br)cnc3[nH]2)CCC[NH2+]C1 ZINC000062869238 184257315 /nfs/dbraw/zinc/25/73/15/184257315.db2.gz PJYULKGWHRMYER-AWEZNQCLSA-N 1 0 323.238 3.142 10 0 DGAERO C[C@H](CC(N)=S)[N@H+](C)Cc1cc(Br)ccc1F ZINC000063089040 184269997 /nfs/dbraw/zinc/26/99/97/184269997.db2.gz VEEJVBVZKMDPIS-MRVPVSSYSA-N 1 0 319.243 3.085 10 0 DGAERO [NH3+]Cc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000063191018 184277125 /nfs/dbraw/zinc/27/71/25/184277125.db2.gz RJQLSTOQSZUONR-UHFFFAOYSA-N 1 0 305.175 3.160 10 0 DGAERO Cc1cc(N2CCC[N@@H+]3CCC[C@H]3C2)nc(-c2ccccc2)n1 ZINC000065381015 184331973 /nfs/dbraw/zinc/33/19/73/184331973.db2.gz NRGZPHHBQQIGLU-KRWDZBQOSA-N 1 0 308.429 3.127 10 0 DGAERO Cc1cccc([C@@H]2C[C@@H]2C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000065565815 184366946 /nfs/dbraw/zinc/36/69/46/184366946.db2.gz IEDFKNPCNUGWQL-OALUTQOASA-N 1 0 314.473 3.430 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000248411783 284994432 /nfs/dbraw/zinc/99/44/32/284994432.db2.gz ZRAWFVFTRKGPHU-JTOWHCCKSA-N 1 0 313.445 3.199 10 0 DGAERO CC[C@@H]1CN(CCCc2ccccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000248466758 285000215 /nfs/dbraw/zinc/00/02/15/285000215.db2.gz SNEJRNLYZJEYEN-DOTOQJQBSA-N 1 0 324.896 3.050 10 0 DGAERO Fc1cccc(C[C@@H]2CCC[N@@H+]2CCO[C@H]2CCCCO2)c1 ZINC000248541576 285003814 /nfs/dbraw/zinc/00/38/14/285003814.db2.gz BRFSQGJHYDEEQM-ROUUACIJSA-N 1 0 307.409 3.376 10 0 DGAERO CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H](C)c1cccnc1 ZINC000085367104 252596897 /nfs/dbraw/zinc/59/68/97/252596897.db2.gz XBZNMXVUMCHACM-CABCVRRESA-N 1 0 320.481 3.150 10 0 DGAERO CC(C)[NH+](CCCNC(=O)c1cccc2ncccc21)C(C)C ZINC000173606618 252660510 /nfs/dbraw/zinc/66/05/10/252660510.db2.gz WFPJXDRKHVKJNB-UHFFFAOYSA-N 1 0 313.445 3.474 10 0 DGAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000248651877 285014514 /nfs/dbraw/zinc/01/45/14/285014514.db2.gz NIPBEVZHMQBYGZ-TZMCWYRMSA-N 1 0 301.377 3.135 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000248656158 285015163 /nfs/dbraw/zinc/01/51/63/285015163.db2.gz RDWOOGHGHOAIDZ-ZTFGCOKTSA-N 1 0 309.425 3.386 10 0 DGAERO CCCCOC[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000248661246 285015836 /nfs/dbraw/zinc/01/58/36/285015836.db2.gz WYMWJYBMGHWXFB-ROUUACIJSA-N 1 0 321.461 3.016 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(C)oc2ccccc21 ZINC000248642217 285013278 /nfs/dbraw/zinc/01/32/78/285013278.db2.gz YATNKBFGTJSVCQ-GJZGRUSLSA-N 1 0 312.413 3.440 10 0 DGAERO C[C@H]1C[C@H](NC(=O)c2ccccc2COc2ccccc2)CC[NH2+]1 ZINC000262814221 207682474 /nfs/dbraw/zinc/68/24/74/207682474.db2.gz GFFZLKXPBONEPZ-DOTOQJQBSA-N 1 0 324.424 3.136 10 0 DGAERO CN(C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000178976789 252740962 /nfs/dbraw/zinc/74/09/62/252740962.db2.gz RKYCUZUSRCGUMD-UHFFFAOYSA-N 1 0 307.413 3.092 10 0 DGAERO CC(C)[N@H+](Cc1nccn1Cc1ccccc1)C1CCOCC1 ZINC000119610010 195001867 /nfs/dbraw/zinc/00/18/67/195001867.db2.gz CWEQNHCAKOFEBP-UHFFFAOYSA-N 1 0 313.445 3.321 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000163382147 285038847 /nfs/dbraw/zinc/03/88/47/285038847.db2.gz OHMUENHMWYYTJB-JSGCOSHPSA-N 1 0 314.832 3.241 10 0 DGAERO O[C@@H](CC1CCCC1)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000249068168 285051823 /nfs/dbraw/zinc/05/18/23/285051823.db2.gz KKSVDMDVQYDFCO-PMACEKPBSA-N 1 0 317.473 3.466 10 0 DGAERO Cc1noc([C@H](C)N2CC[NH+](C[C@@H]3C(C)=CCC[C@@H]3C)CC2)n1 ZINC000249110142 285056743 /nfs/dbraw/zinc/05/67/43/285056743.db2.gz RESUDGBHMAOXAI-YQQAZPJKSA-N 1 0 318.465 3.049 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)ccc1OC(C)C ZINC000249223786 285064623 /nfs/dbraw/zinc/06/46/23/285064623.db2.gz USDABHSBQLMEPP-RDTXWAMCSA-N 1 0 307.434 3.339 10 0 DGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000249176857 285061507 /nfs/dbraw/zinc/06/15/07/285061507.db2.gz FSBXXRAOKIIFHE-WXSAJPJJSA-N 1 0 300.446 3.083 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](COC)C2CCOCC2)C1(C)C ZINC000249190477 285062636 /nfs/dbraw/zinc/06/26/36/285062636.db2.gz NSNAIKVTTQVKJV-BRWVUGGUSA-N 1 0 313.482 3.001 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249429432 285073441 /nfs/dbraw/zinc/07/34/41/285073441.db2.gz JKRGDXWIGATXCU-VQIMIIECSA-N 1 0 314.473 3.103 10 0 DGAERO c1ccc(COc2cccc(C[NH2+]Cc3cncnc3)c2)cc1 ZINC000336715197 252998523 /nfs/dbraw/zinc/99/85/23/252998523.db2.gz OSRAVVMSWGQDLI-UHFFFAOYSA-N 1 0 305.381 3.345 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000249486939 285076155 /nfs/dbraw/zinc/07/61/55/285076155.db2.gz YKZKFURPIQOYPF-QUCCMNQESA-N 1 0 316.489 3.052 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249567214 285081059 /nfs/dbraw/zinc/08/10/59/285081059.db2.gz NIOUUFPHIBVOMV-BFUOFWGJSA-N 1 0 314.429 3.142 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000336896230 253019161 /nfs/dbraw/zinc/01/91/61/253019161.db2.gz NTFQIHWDVOSWCC-LBPRGKRZSA-N 1 0 302.187 3.245 10 0 DGAERO C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCCC[C@H]1O ZINC000249746575 285086934 /nfs/dbraw/zinc/08/69/34/285086934.db2.gz NXMAUXABVGLRNF-GXFFZTMASA-N 1 0 318.280 3.494 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2c2cccc(F)c2)C1 ZINC000249772152 285088086 /nfs/dbraw/zinc/08/80/86/285088086.db2.gz TUWDVEGPGZKHDA-IRXDYDNUSA-N 1 0 319.424 3.157 10 0 DGAERO COC[C@H](C)C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000249771418 285088227 /nfs/dbraw/zinc/08/82/27/285088227.db2.gz JNRQEASORRZWSD-IUODEOHRSA-N 1 0 317.351 3.361 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000249860890 285090499 /nfs/dbraw/zinc/09/04/99/285090499.db2.gz QLHJGWORENRRMO-CVEARBPZSA-N 1 0 321.852 3.185 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)CC[C@H]1C ZINC000252009949 285101282 /nfs/dbraw/zinc/10/12/82/285101282.db2.gz XMLQKGFMKVGGNT-UMVBOHGHSA-N 1 0 301.390 3.154 10 0 DGAERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1 ZINC000159175806 197333164 /nfs/dbraw/zinc/33/31/64/197333164.db2.gz YZSMEYXTEZGMRV-KSSFIOAISA-N 1 0 314.404 3.176 10 0 DGAERO COc1cccc([C@@H](C)[NH+]2CCC(N3CCCCC3=O)CC2)c1 ZINC000120208504 195119684 /nfs/dbraw/zinc/11/96/84/195119684.db2.gz JWGGHHSYVIVJDN-OAHLLOKOSA-N 1 0 316.445 3.233 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)s1 ZINC000159037688 197320516 /nfs/dbraw/zinc/32/05/16/197320516.db2.gz WHCNWWBWLNCNBC-HOCLYGCPSA-N 1 0 316.470 3.407 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255137764 285133993 /nfs/dbraw/zinc/13/39/93/285133993.db2.gz LJSRJVMXWYEBMA-BBLCHGJFSA-N 1 0 300.446 3.471 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)CCn2cccn2)c1 ZINC000158581292 197285425 /nfs/dbraw/zinc/28/54/25/197285425.db2.gz GOVADHQDLQXOEX-KGLIPLIRSA-N 1 0 303.406 3.030 10 0 DGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)C1CCCC1 ZINC000176518642 533111106 /nfs/dbraw/zinc/11/11/06/533111106.db2.gz SAKTXKHMVGFSBX-CQSZACIVSA-N 1 0 323.506 3.400 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1(C)C ZINC000342809033 254055810 /nfs/dbraw/zinc/05/58/10/254055810.db2.gz GEKTVWIOXYBFHH-QZTJIDSGSA-N 1 0 313.445 3.225 10 0 DGAERO c1cn(Cc2ccccc2)c(C[NH2+]C[C@H]2CCCCS2)n1 ZINC000344297668 254253032 /nfs/dbraw/zinc/25/30/32/254253032.db2.gz CJNDSYPNJZBRKS-MRXNPFEDSA-N 1 0 301.459 3.307 10 0 DGAERO c1cn(-c2csc(C[NH2+][C@H]3CCOC4(CCC4)C3)c2)cn1 ZINC000344331088 254257938 /nfs/dbraw/zinc/25/79/38/254257938.db2.gz ADTXGRXKSMCTRN-ZDUSSCGKSA-N 1 0 303.431 3.125 10 0 DGAERO CC[C@@H]1CN(C/C=C\c2ccc(Cl)cc2)CC[N@@H+]1C[C@H](C)O ZINC000255906613 285186787 /nfs/dbraw/zinc/18/67/87/285186787.db2.gz VBSGVCRTQSFCSH-UGZKAYFTSA-N 1 0 322.880 3.130 10 0 DGAERO c1cn(Cc2ccccc2)c(C[NH2+][C@@H]2CCOC3(CCC3)C2)n1 ZINC000344798119 254306297 /nfs/dbraw/zinc/30/62/97/254306297.db2.gz SYNVIIXVSXDLES-QGZVFWFLSA-N 1 0 311.429 3.123 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CC[C@@H]2SC)cc1OC(F)F ZINC000344956681 254319224 /nfs/dbraw/zinc/31/92/24/254319224.db2.gz QVNJKYMFJBFZRM-GWCFXTLKSA-N 1 0 303.374 3.280 10 0 DGAERO Cc1ccc2cc(CN3CC[NH2+]C[C@@H]3c3cccnc3)ccc2n1 ZINC000261819193 285192896 /nfs/dbraw/zinc/19/28/96/285192896.db2.gz IFEWZCHRZGNPIJ-HXUWFJFHSA-N 1 0 318.424 3.085 10 0 DGAERO [NH3+]C1(c2noc(-c3sccc3SC(F)F)n2)CCC1 ZINC000261820621 285193396 /nfs/dbraw/zinc/19/33/96/285193396.db2.gz QMYBWFMJBJYDSH-UHFFFAOYSA-N 1 0 303.359 3.451 10 0 DGAERO CC1(C)CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c2ccccc21 ZINC000261821411 285193469 /nfs/dbraw/zinc/19/34/69/285193469.db2.gz SRRUCGGUXBMTLZ-CPUCHLNUSA-N 1 0 300.446 3.290 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(F)c1Br)[C@H]1CCCO1 ZINC000156698243 197133772 /nfs/dbraw/zinc/13/37/72/197133772.db2.gz ZKYXMOXBWHTPKP-JOYOIKCWSA-N 1 0 302.187 3.245 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC000155628235 197073410 /nfs/dbraw/zinc/07/34/10/197073410.db2.gz IFVLSDFMKGTNFW-WOPDTQHZSA-N 1 0 314.882 3.350 10 0 DGAERO Cc1c2ccccc2oc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155481428 197059547 /nfs/dbraw/zinc/05/95/47/197059547.db2.gz NBWTZOKCSFEORB-WFASDCNBSA-N 1 0 300.402 3.200 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1Br ZINC000294698795 224176886 /nfs/dbraw/zinc/17/68/86/224176886.db2.gz AROLFSHQJUZMND-GIPNMCIBSA-N 1 0 314.223 3.113 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)CCc1c[nH]c2c1cccc2C ZINC000120419119 195163519 /nfs/dbraw/zinc/16/35/19/195163519.db2.gz DHDDOGSBCUYBEN-OAHLLOKOSA-N 1 0 315.461 3.255 10 0 DGAERO Cc1cccc(-c2noc(C[N@H+](C)CCC3CCOCC3)n2)c1 ZINC000120731775 195226914 /nfs/dbraw/zinc/22/69/14/195226914.db2.gz JXPZXRLADZPKCW-UHFFFAOYSA-N 1 0 315.417 3.294 10 0 DGAERO CCC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCCCO1 ZINC000120732365 195227007 /nfs/dbraw/zinc/22/70/07/195227007.db2.gz NNMWBPWIIJKFII-GOSISDBHSA-N 1 0 304.434 3.426 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1 ZINC000120713885 195222103 /nfs/dbraw/zinc/22/21/03/195222103.db2.gz USRZNMCEPCRAJD-STQMWFEESA-N 1 0 301.434 3.327 10 0 DGAERO Cc1ccc(OCCCC(=O)N2CCC([NH+](C)C)CC2)c(C)c1 ZINC000120841571 195248774 /nfs/dbraw/zinc/24/87/74/195248774.db2.gz VJXOTPDIVXXEHQ-UHFFFAOYSA-N 1 0 318.461 3.015 10 0 DGAERO c1cncc(-c2cccc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)c2)c1 ZINC000289677384 221148500 /nfs/dbraw/zinc/14/85/00/221148500.db2.gz ZMCUGDAIXRTJGB-FQEVSTJZSA-N 1 0 324.424 3.130 10 0 DGAERO O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2cccc(F)c2)C1 ZINC000120936488 195267353 /nfs/dbraw/zinc/26/73/53/195267353.db2.gz OLVLJUFGXKZIEC-WMLDXEAASA-N 1 0 307.315 3.412 10 0 DGAERO O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000249083417 285326126 /nfs/dbraw/zinc/32/61/26/285326126.db2.gz MWUVXXVEEYRBLE-FDQGKXFDSA-N 1 0 301.430 3.140 10 0 DGAERO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CCOCC2)s1 ZINC000248134607 257108171 /nfs/dbraw/zinc/10/81/71/257108171.db2.gz ZZQVKAIIYDUJJZ-MSOLQXFVSA-N 1 0 320.502 3.132 10 0 DGAERO O[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000245505067 285343205 /nfs/dbraw/zinc/34/32/05/285343205.db2.gz FOUKKUZUQKXSKG-KGLIPLIRSA-N 1 0 303.299 3.202 10 0 DGAERO Cc1cccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1C ZINC000071790599 184841868 /nfs/dbraw/zinc/84/18/68/184841868.db2.gz OGMAOOMLKCWPRL-HOTGVXAUSA-N 1 0 304.434 3.355 10 0 DGAERO COc1ccc([C@@H]2CCCN2Cc2cncs2)c(OC)c1 ZINC000120997492 195277114 /nfs/dbraw/zinc/27/71/14/195277114.db2.gz YIQRHIDEUFNROG-HNNXBMFYSA-N 1 0 304.415 3.497 10 0 DGAERO CCn1c(C[N@H+](C)CCc2ccncc2)nc2cc(F)ccc21 ZINC000121592078 195312847 /nfs/dbraw/zinc/31/28/47/195312847.db2.gz HLPVJOWFSYWPKH-UHFFFAOYSA-N 1 0 312.392 3.265 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1F ZINC000121566191 195307428 /nfs/dbraw/zinc/30/74/28/195307428.db2.gz ZDSFKQQDVZFQTO-MJBXVCDLSA-N 1 0 322.424 3.274 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCC3)[C@H](C)C1 ZINC000122232548 195422750 /nfs/dbraw/zinc/42/27/50/195422750.db2.gz FQNOIVPDWFLVNM-TZMCWYRMSA-N 1 0 306.475 3.039 10 0 DGAERO C[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1 ZINC000124743451 195673671 /nfs/dbraw/zinc/67/36/71/195673671.db2.gz HANKDABYYWFZES-AWEZNQCLSA-N 1 0 314.404 3.307 10 0 DGAERO c1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2nc3c(s2)CCC3)ccn1 ZINC000299741564 285445671 /nfs/dbraw/zinc/44/56/71/285445671.db2.gz GJUIBVNHGZFPGH-WMLDXEAASA-N 1 0 315.442 3.037 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000163859057 132123618 /nfs/dbraw/zinc/12/36/18/132123618.db2.gz STFHTDUDLVOOSC-RKDXNWHRSA-N 1 0 301.217 3.026 10 0 DGAERO [NH3+]Cc1ccc(Br)cc1N1CCc2ccccc2C1 ZINC000036670672 134696327 /nfs/dbraw/zinc/69/63/27/134696327.db2.gz SVDZKIBUTRFNPJ-UHFFFAOYSA-N 1 0 317.230 3.471 10 0 DGAERO C[NH2+][C@H]1CCN(c2ccc(F)cc2Br)[C@H](C)C1 ZINC000049712523 134758120 /nfs/dbraw/zinc/75/81/20/134758120.db2.gz CQXYKZKJVGFILQ-KOLCDFICSA-N 1 0 301.203 3.165 10 0 DGAERO Clc1cnc(N2CCCC[C@H]2C[NH2+]C2CC2)c(Cl)c1 ZINC000053699777 134770345 /nfs/dbraw/zinc/77/03/45/134770345.db2.gz PFXRUYOSYJLRQF-LBPRGKRZSA-N 1 0 300.233 3.499 10 0 DGAERO COC1([C@@H](C)[NH2+]CC(C)(C)c2ccccc2F)CCOCC1 ZINC000453098087 292133676 /nfs/dbraw/zinc/13/36/76/292133676.db2.gz ZBRPHFRFGKXOFH-CQSZACIVSA-N 1 0 309.425 3.277 10 0 DGAERO c1ccc(OCCCCN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000584693166 400088687 /nfs/dbraw/zinc/08/86/87/400088687.db2.gz OZBJWIDEVBMYNE-UHFFFAOYSA-N 1 0 302.462 3.406 10 0 DGAERO c1cnc2c(c1)cccc2CSCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000600588206 400101357 /nfs/dbraw/zinc/10/13/57/400101357.db2.gz AKQIOMXBZHIYRG-CALCHBBNSA-N 1 0 314.454 3.331 10 0 DGAERO COC(=O)c1ccc([C@H]2CCC[NH2+]2)nc1CCCc1ccccc1 ZINC000616579990 400177099 /nfs/dbraw/zinc/17/70/99/400177099.db2.gz SONGYQIRRPIHSY-GOSISDBHSA-N 1 0 324.424 3.468 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2cccc3cccnc32)cc1 ZINC000616635233 400188957 /nfs/dbraw/zinc/18/89/57/400188957.db2.gz GCVPRMBGFNJJFE-IBGZPJMESA-N 1 0 303.409 3.381 10 0 DGAERO [NH3+]CCN1C[C@H](c2cncc3ccccc32)Cc2ccccc21 ZINC000616593920 400180124 /nfs/dbraw/zinc/18/01/24/400180124.db2.gz RJNXDQWLBOTYLW-QGZVFWFLSA-N 1 0 303.409 3.340 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccnc2ccccc21 ZINC000616602529 400181044 /nfs/dbraw/zinc/18/10/44/400181044.db2.gz KZEYRVOORMUTMZ-MRXNPFEDSA-N 1 0 313.401 3.116 10 0 DGAERO O=C(Nc1ccc(N2CC[NH2+]CC2)cc1)c1ccc(Cl)cc1 ZINC000011570342 400145224 /nfs/dbraw/zinc/14/52/24/400145224.db2.gz IAGQUTLPQWNFTE-UHFFFAOYSA-N 1 0 315.804 3.002 10 0 DGAERO CCOC1CC(C[NH2+][C@H](c2ccccc2)C(C)(C)C(=O)OC)C1 ZINC000586768971 400152280 /nfs/dbraw/zinc/15/22/80/400152280.db2.gz HRYFCOUSWLLCJI-BDVYOWHSSA-N 1 0 319.445 3.332 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(CSC)cc2)C1 ZINC000067352577 400163211 /nfs/dbraw/zinc/16/32/11/400163211.db2.gz ZMQCPTSCZQWFIJ-HNNXBMFYSA-N 1 0 307.463 3.155 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2ccc3cccnc3c2)cc1 ZINC000616635223 400189395 /nfs/dbraw/zinc/18/93/95/400189395.db2.gz FWPGPPRDEBLKTP-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CCc1nnc([C@@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000601067093 400219994 /nfs/dbraw/zinc/21/99/94/400219994.db2.gz INNRWXZYDHLWNE-CVEARBPZSA-N 1 0 320.481 3.281 10 0 DGAERO CCc1nnc([C@@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000601067095 400220456 /nfs/dbraw/zinc/22/04/56/400220456.db2.gz INNRWXZYDHLWNE-HZPDHXFCSA-N 1 0 320.481 3.281 10 0 DGAERO O=C(NCC[NH+]1CCCCCC1)c1c[nH]c2cc(Cl)ccc12 ZINC000588921204 400244489 /nfs/dbraw/zinc/24/44/89/400244489.db2.gz MLIOJGJQAPBSGU-UHFFFAOYSA-N 1 0 319.836 3.427 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccc2cnccc2c1 ZINC000616636299 400190053 /nfs/dbraw/zinc/19/00/53/400190053.db2.gz IDBWGZZMJRFADS-MRXNPFEDSA-N 1 0 313.401 3.116 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc2ccncc2c1 ZINC000616635676 400190142 /nfs/dbraw/zinc/19/01/42/400190142.db2.gz KBMSYUSVVMGUPD-INIZCTEOSA-N 1 0 313.401 3.116 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1COCCN1C ZINC000616641751 400191444 /nfs/dbraw/zinc/19/14/44/400191444.db2.gz OQVRPINDODDETA-HNNXBMFYSA-N 1 0 306.406 3.061 10 0 DGAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000616637932 400191568 /nfs/dbraw/zinc/19/15/68/400191568.db2.gz SOSQJWIYSHEWRT-MRXNPFEDSA-N 1 0 319.449 3.388 10 0 DGAERO CCN1CC[NH2+]C[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC000616638355 400191603 /nfs/dbraw/zinc/19/16/03/400191603.db2.gz XLXAGJYWDSMGDA-MRXNPFEDSA-N 1 0 319.449 3.024 10 0 DGAERO C[N@@H+]1CCOCC[C@H]1c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000616659465 400195639 /nfs/dbraw/zinc/19/56/39/400195639.db2.gz SOGUSBSTUXPMBM-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO CCOC(=O)c1ccc([C@H]2COCC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616658246 400195690 /nfs/dbraw/zinc/19/56/90/400195690.db2.gz CHVHYXFMVMLGOE-MRXNPFEDSA-N 1 0 305.418 3.078 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1cc2ccccc2cn1 ZINC000616679703 400200300 /nfs/dbraw/zinc/20/03/00/400200300.db2.gz ZBJNWAWCVDIAFB-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccnc2ccccc21 ZINC000616679070 400200629 /nfs/dbraw/zinc/20/06/29/400200629.db2.gz QKSQCADCIXIOPQ-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccc2cccnc2c1 ZINC000616691048 400205314 /nfs/dbraw/zinc/20/53/14/400205314.db2.gz CSLXGOYNTLTVND-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cc3ccccc3cn2)Nc2ccccc21 ZINC000616693731 400206834 /nfs/dbraw/zinc/20/68/34/400206834.db2.gz XBVSBAWPBCHDLX-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccnc3ccccc32)Nc2ccccc21 ZINC000616692655 400206972 /nfs/dbraw/zinc/20/69/72/400206972.db2.gz KFAJORZFFKKVTI-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO Cc1ccc(C(=O)N(CC[NH+](C)C)C2CCCCC2)c(C)n1 ZINC000067869761 400212869 /nfs/dbraw/zinc/21/28/69/400212869.db2.gz YAVDZJUGSXDWAV-UHFFFAOYSA-N 1 0 303.450 3.035 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616998426 400264793 /nfs/dbraw/zinc/26/47/93/400264793.db2.gz NTIUCWOEKGILMM-HOCLYGCPSA-N 1 0 310.482 3.009 10 0 DGAERO CC(C)(C)OC(=O)CC[NH2+]Cc1ccsc1Br ZINC000388505542 400267574 /nfs/dbraw/zinc/26/75/74/400267574.db2.gz LJZSQUVCYWYWAJ-UHFFFAOYSA-N 1 0 320.252 3.332 10 0 DGAERO [NH3+]C[C@@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000401783602 400291314 /nfs/dbraw/zinc/29/13/14/400291314.db2.gz RSNUJIBZIPPEFJ-MRVPVSSYSA-N 1 0 316.110 3.005 10 0 DGAERO C[C@H](NCc1ccns1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000404431141 400295460 /nfs/dbraw/zinc/29/54/60/400295460.db2.gz MQUBMPBCBTVNRM-HOCLYGCPSA-N 1 0 301.459 3.143 10 0 DGAERO CN(C(=O)OC(C)(C)C)[C@H](C(=[NH2+])NO)c1cccc(Cl)c1 ZINC000409438643 400301473 /nfs/dbraw/zinc/30/14/73/400301473.db2.gz DJZIZWCJAOWVLX-NSHDSACASA-N 1 0 313.785 3.204 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H](C)c1ccccc1F ZINC000102637807 400302134 /nfs/dbraw/zinc/30/21/34/400302134.db2.gz MFJWQGBCXIOCPZ-GJZGRUSLSA-N 1 0 308.441 3.412 10 0 DGAERO CCc1nc(OC)c2n1CC[NH2+][C@@H]2CCc1ccc(C)c(C)c1 ZINC000114154194 400385021 /nfs/dbraw/zinc/38/50/21/400385021.db2.gz QDLBAINMYBMHBE-MRXNPFEDSA-N 1 0 313.445 3.348 10 0 DGAERO CC(C)[NH2+]CCC(=O)N[C@H](C)c1ccccc1Br ZINC000037618515 400394667 /nfs/dbraw/zinc/39/46/67/400394667.db2.gz ZSSYAFDONCUNNG-LLVKDONJSA-N 1 0 313.239 3.014 10 0 DGAERO C[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)C(C)(C)C ZINC000114474894 400387540 /nfs/dbraw/zinc/38/75/40/400387540.db2.gz KASSOLDMDQVSTE-LLVKDONJSA-N 1 0 317.458 3.433 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000037622985 400394935 /nfs/dbraw/zinc/39/49/35/400394935.db2.gz IERKQYXESAPPOI-UHFFFAOYSA-N 1 0 302.296 3.041 10 0 DGAERO Cc1ccc([C@@H]([NH2+]C[C@@H]2CN(C)CCO2)c2ccccc2)cc1 ZINC000106388097 400326537 /nfs/dbraw/zinc/32/65/37/400326537.db2.gz QXKUEQWFHUEKKS-UXHICEINSA-N 1 0 310.441 3.005 10 0 DGAERO Nc1ccccc1[C@H](O)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000114957904 400392085 /nfs/dbraw/zinc/39/20/85/400392085.db2.gz PNIDFRGYSJHRLV-OAHLLOKOSA-N 1 0 311.212 3.399 10 0 DGAERO COC(=O)[C@@H](N)CCCc1ccc(OCc2ccccc2)cc1 ZINC000038259617 400395128 /nfs/dbraw/zinc/39/51/28/400395128.db2.gz QNJIAUUZJROOCD-SFHVURJKSA-N 1 0 313.397 3.089 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C(C)(C)C)c1ccco1 ZINC000112446989 400373445 /nfs/dbraw/zinc/37/34/45/400373445.db2.gz NGSSUVBQTJWQDP-KGLIPLIRSA-N 1 0 309.454 3.396 10 0 DGAERO C[C@@H]1CCC[N@@H+]1CCCOc1ccc(N2CCCCC2=O)cc1 ZINC000117075982 400414171 /nfs/dbraw/zinc/41/41/71/400414171.db2.gz HPXLQELZQPHGRU-MRXNPFEDSA-N 1 0 316.445 3.457 10 0 DGAERO CCC[C@H]([NH3+])C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000040855213 400403089 /nfs/dbraw/zinc/40/30/89/400403089.db2.gz GWADOGZDSXEZSF-ZFWWWQNUSA-N 1 0 306.406 3.220 10 0 DGAERO CCc1ccc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000117725191 400420819 /nfs/dbraw/zinc/42/08/19/400420819.db2.gz NSNSDZGBWCBNNK-GOSISDBHSA-N 1 0 310.397 3.162 10 0 DGAERO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1cc(Cl)ccn1 ZINC000117726222 400421035 /nfs/dbraw/zinc/42/10/35/400421035.db2.gz RSLLGABDWQMWBJ-LBPRGKRZSA-N 1 0 301.777 3.064 10 0 DGAERO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1ccc(Cl)nc1 ZINC000117728081 400421069 /nfs/dbraw/zinc/42/10/69/400421069.db2.gz VJXDMPFZIUROQE-GFCCVEGCSA-N 1 0 301.777 3.064 10 0 DGAERO O[C@@H](C[NH2+]CCc1ccccc1)c1ccc(Br)cc1 ZINC000118570374 400429145 /nfs/dbraw/zinc/42/91/45/400429145.db2.gz GPTSCRQCKYZFLT-INIZCTEOSA-N 1 0 320.230 3.315 10 0 DGAERO C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1cccs1 ZINC000043038017 400450541 /nfs/dbraw/zinc/45/05/41/400450541.db2.gz AWIUEIPLHVOGAC-CYBMUJFWSA-N 1 0 309.479 3.421 10 0 DGAERO O=C(C[N@@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccccc1F ZINC000124275391 400474872 /nfs/dbraw/zinc/47/48/72/400474872.db2.gz LWGYHUSJGUCVNS-MRXNPFEDSA-N 1 0 312.388 3.329 10 0 DGAERO CC(C)c1cccc(OCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000124403344 400475425 /nfs/dbraw/zinc/47/54/25/400475425.db2.gz ULOSTVRLLJEZFH-RDJZCZTQSA-N 1 0 318.461 3.130 10 0 DGAERO CCOC(=O)c1ncc(C[N@@H+]2CCCC[C@@H](SC)C2)s1 ZINC000602800137 400577108 /nfs/dbraw/zinc/57/71/08/400577108.db2.gz VKFIGXJQVNFNKV-LLVKDONJSA-N 1 0 314.476 3.037 10 0 DGAERO CSCCCC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000129412304 400525882 /nfs/dbraw/zinc/52/58/82/400525882.db2.gz PLDFBIWOIHSEFD-HNNXBMFYSA-N 1 0 300.512 3.002 10 0 DGAERO Ic1cc2c(s1)CCC[C@H]2[NH2+]C1CC1 ZINC000132218979 400556774 /nfs/dbraw/zinc/55/67/74/400556774.db2.gz CXKWHXHOBAUIQZ-SECBINFHSA-N 1 0 319.211 3.482 10 0 DGAERO Ic1cc2c(s1)CCC[C@@H]2[NH2+]C1CC1 ZINC000132218801 400557262 /nfs/dbraw/zinc/55/72/62/400557262.db2.gz CXKWHXHOBAUIQZ-VIFPVBQESA-N 1 0 319.211 3.482 10 0 DGAERO CCC[NH+]1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1 ZINC000143310933 400634006 /nfs/dbraw/zinc/63/40/06/400634006.db2.gz HDZQYZWOKMOKNW-ZHACJKMWSA-N 1 0 308.425 3.407 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@@H]1CCOC1)CCCC2 ZINC000358009350 285943135 /nfs/dbraw/zinc/94/31/35/285943135.db2.gz VNSUQMAUJRTCME-KBXCAEBGSA-N 1 0 301.430 3.405 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135161835 400584840 /nfs/dbraw/zinc/58/48/40/400584840.db2.gz IACUYHDPOBKCQX-NWDGAFQWSA-N 1 0 318.642 3.496 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[NH2+][C@@H]2c2ccccc2)CC1 ZINC000144575419 400641491 /nfs/dbraw/zinc/64/14/91/400641491.db2.gz XADFLPGUIOSWMA-OAHLLOKOSA-N 1 0 302.418 3.348 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1cc(Cl)cs1 ZINC000076585189 400663187 /nfs/dbraw/zinc/66/31/87/400663187.db2.gz YYRXVRBWYGCZED-ZDUSSCGKSA-N 1 0 316.898 3.427 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000076996893 400685238 /nfs/dbraw/zinc/68/52/38/400685238.db2.gz YHXYEXAESDYQHX-RTBURBONSA-N 1 0 314.473 3.466 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000157678121 400718318 /nfs/dbraw/zinc/71/83/18/400718318.db2.gz NTFNQQAQEVCBRZ-AWEZNQCLSA-N 1 0 307.438 3.070 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000157645275 400718685 /nfs/dbraw/zinc/71/86/85/400718685.db2.gz PVMUDGFXSUYABV-UHFFFAOYSA-N 1 0 319.449 3.247 10 0 DGAERO CC(C)[N@@H+](CCOc1c(Cl)cccc1Cl)C[C@H](C)O ZINC000592976295 400723373 /nfs/dbraw/zinc/72/33/73/400723373.db2.gz HWJCOJZAOSMNJW-NSHDSACASA-N 1 0 306.233 3.463 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+]Cc1cccn1CCC(C)C ZINC000161586766 400741593 /nfs/dbraw/zinc/74/15/93/400741593.db2.gz IKXIPORCDAPICZ-UHFFFAOYSA-N 1 0 302.466 3.217 10 0 DGAERO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](C)C(C)(C)C)c1 ZINC000163281587 400747986 /nfs/dbraw/zinc/74/79/86/400747986.db2.gz YOKIBXJOLHZIRD-CHWSQXEVSA-N 1 0 322.449 3.445 10 0 DGAERO C[C@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)CCS1 ZINC000077281906 400703644 /nfs/dbraw/zinc/70/36/44/400703644.db2.gz YPXQDGKGRLGZPY-NSHDSACASA-N 1 0 323.849 3.370 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000054307251 400817578 /nfs/dbraw/zinc/81/75/78/400817578.db2.gz WZLDYASKOXJGTP-FZMZJTMJSA-N 1 0 324.877 3.383 10 0 DGAERO CC(C)Oc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000054307374 400817618 /nfs/dbraw/zinc/81/76/18/400817618.db2.gz DYVDXBQYVCQEDQ-GFCCVEGCSA-N 1 0 310.825 3.455 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cccc(-c2nccs2)c1 ZINC000054307605 400817628 /nfs/dbraw/zinc/81/76/28/400817628.db2.gz AAWNHDZMIZSWNK-LBPRGKRZSA-N 1 0 301.415 3.138 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307681 400817795 /nfs/dbraw/zinc/81/77/95/400817795.db2.gz AWSFIXFYLVFAMD-NSHDSACASA-N 1 0 315.244 3.342 10 0 DGAERO CC(C)Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170862327 400777928 /nfs/dbraw/zinc/77/79/28/400777928.db2.gz MELGZRPALXLNAO-MAUKXSAKSA-N 1 0 317.477 3.292 10 0 DGAERO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170865344 400777941 /nfs/dbraw/zinc/77/79/41/400777941.db2.gz LVIFJGYVGUXDLF-HZPDHXFCSA-N 1 0 318.461 3.048 10 0 DGAERO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170865433 400778059 /nfs/dbraw/zinc/77/80/59/400778059.db2.gz KYWVBGTWRJZQJB-DOTOQJQBSA-N 1 0 318.461 3.048 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)NCC[NH+]2CCCCC2)c1 ZINC000171172074 400788346 /nfs/dbraw/zinc/78/83/46/400788346.db2.gz HYDCXQWGYLHVMZ-AWEZNQCLSA-N 1 0 305.422 3.001 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC1(c2ccccc2)CCC1 ZINC000171425933 400799794 /nfs/dbraw/zinc/79/97/94/400799794.db2.gz LACZLLYTTWPCNR-HNNXBMFYSA-N 1 0 303.450 3.095 10 0 DGAERO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)C(C)C)CC1 ZINC000172507223 400830615 /nfs/dbraw/zinc/83/06/15/400830615.db2.gz CXHJIWRUKQHVIP-MRXNPFEDSA-N 1 0 311.514 3.432 10 0 DGAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccc(Br)cc1 ZINC000054686271 400834972 /nfs/dbraw/zinc/83/49/72/400834972.db2.gz ZJTALAYYEJWHLM-HUUCEWRRSA-N 1 0 306.203 3.053 10 0 DGAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccccc1Br ZINC000054685596 400835327 /nfs/dbraw/zinc/83/53/27/400835327.db2.gz SVQRXVUBJQPARW-HUUCEWRRSA-N 1 0 306.203 3.053 10 0 DGAERO CC(C)[C@@H](C)C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000172673578 400836716 /nfs/dbraw/zinc/83/67/16/400836716.db2.gz YNAHQYMCPNJSCD-INIZCTEOSA-N 1 0 318.461 3.070 10 0 DGAERO CCOc1cccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000054820315 400839632 /nfs/dbraw/zinc/83/96/32/400839632.db2.gz UVLPZTAIVHZGHZ-GOSISDBHSA-N 1 0 312.413 3.118 10 0 DGAERO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000606658991 400941284 /nfs/dbraw/zinc/94/12/84/400941284.db2.gz HIMVCVFTWWLEJY-JKSUJKDBSA-N 1 0 305.466 3.128 10 0 DGAERO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000606658990 400941939 /nfs/dbraw/zinc/94/19/39/400941939.db2.gz HIMVCVFTWWLEJY-HZPDHXFCSA-N 1 0 305.466 3.128 10 0 DGAERO CC(C)[C@H]1CN(c2cnc3cccc(C(F)(F)F)c3n2)CC[NH2+]1 ZINC000217838043 400950739 /nfs/dbraw/zinc/95/07/39/400950739.db2.gz ZQAVRCXNXFDDHB-CYBMUJFWSA-N 1 0 324.350 3.083 10 0 DGAERO CC(C)[C@@H]1CN(c2cnc3cc(C(F)(F)F)ccc3n2)CC[NH2+]1 ZINC000217813094 400951065 /nfs/dbraw/zinc/95/10/65/400951065.db2.gz IRPRMTVDLKKCDP-AWEZNQCLSA-N 1 0 324.350 3.083 10 0 DGAERO O=C(Nc1ccc(F)cc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000056325148 400920830 /nfs/dbraw/zinc/92/08/30/400920830.db2.gz BSQAKYWQCZZMAM-UHFFFAOYSA-N 1 0 323.387 3.305 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000606561488 400928331 /nfs/dbraw/zinc/92/83/31/400928331.db2.gz JEOWJTLVTFERLF-SJORKVTESA-N 1 0 317.477 3.128 10 0 DGAERO C[C@@H](CNC(=O)c1ccccc1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000057712615 401021026 /nfs/dbraw/zinc/02/10/26/401021026.db2.gz BSVGSAJYTYUVGC-INIZCTEOSA-N 1 0 322.452 3.490 10 0 DGAERO CC(C)C(=O)N[C@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000080975757 401011623 /nfs/dbraw/zinc/01/16/23/401011623.db2.gz RSYFXDMKLWLHSE-AWEZNQCLSA-N 1 0 315.392 3.115 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620932708 401014520 /nfs/dbraw/zinc/01/45/20/401014520.db2.gz FPCDENKUBNZQJJ-HNNXBMFYSA-N 1 0 322.493 3.010 10 0 DGAERO c1nocc1-c1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC000629734314 401066474 /nfs/dbraw/zinc/06/64/74/401066474.db2.gz PEMGLHUDHIRDIM-UHFFFAOYSA-N 1 0 319.408 3.414 10 0 DGAERO c1ccc(OCCCCNc2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000629661527 401026019 /nfs/dbraw/zinc/02/60/19/401026019.db2.gz CLVQOJLAMHVFAK-UHFFFAOYSA-N 1 0 312.413 3.440 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000247166149 401047378 /nfs/dbraw/zinc/04/73/78/401047378.db2.gz ZTQPKHFIRBBSOU-AYOQOUSVSA-N 1 0 314.473 3.372 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000257353788 401109959 /nfs/dbraw/zinc/10/99/59/401109959.db2.gz TYDYHDVNDQAIRX-KBPBESRZSA-N 1 0 307.438 3.455 10 0 DGAERO CC(=O)O[C@H]1[C@H](c2ccccc2)C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000257354386 401110223 /nfs/dbraw/zinc/11/02/23/401110223.db2.gz XLBMAPKTUAGXGL-ACDBMABISA-N 1 0 309.409 3.431 10 0 DGAERO c1ccc(OCCOCC[NH+]2CCc3ccccc3CC2)cc1 ZINC000261476005 401113485 /nfs/dbraw/zinc/11/34/85/401113485.db2.gz ZSYHVQYHADMTPU-UHFFFAOYSA-N 1 0 311.425 3.183 10 0 DGAERO C[C@H]1CC[C@H](O)CN1Cc1ccc(Br)c(F)c1F ZINC000625482112 401140011 /nfs/dbraw/zinc/14/00/11/401140011.db2.gz MVHHTWLXLAVUAB-WPRPVWTQSA-N 1 0 320.177 3.073 10 0 DGAERO O=C(Cc1csc2ccccc12)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594642101 401140989 /nfs/dbraw/zinc/14/09/89/401140989.db2.gz KGEGYSGEGUZITK-OAHLLOKOSA-N 1 0 314.454 3.044 10 0 DGAERO COC[C@H]1CCCC[N@H+](Cc2ccncc2Br)C1 ZINC000625326801 401099849 /nfs/dbraw/zinc/09/98/49/401099849.db2.gz DIIGVTRYZCVELY-LBPRGKRZSA-N 1 0 313.239 3.093 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000358237099 286007141 /nfs/dbraw/zinc/00/71/41/286007141.db2.gz MHZKPLWEGQLNPQ-OAHLLOKOSA-N 1 0 304.434 3.006 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)C2)cc1 ZINC000630074822 401178518 /nfs/dbraw/zinc/17/85/18/401178518.db2.gz SOTLWTSICACMAP-UXPWSPDFSA-N 1 0 314.473 3.450 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)[nH]n1 ZINC000358317089 286030047 /nfs/dbraw/zinc/03/00/47/286030047.db2.gz KFNPRJJCGCSRNW-GMBSWORKSA-N 1 0 313.445 3.407 10 0 DGAERO c1ccc(-c2noc(N3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000608079911 401181799 /nfs/dbraw/zinc/18/17/99/401181799.db2.gz NXSFQGFUFUTHJN-UHFFFAOYSA-N 1 0 312.417 3.049 10 0 DGAERO C[C@H]1CC[C@@H](Nc2ncc(Cl)cc2Br)C[NH2+]1 ZINC000630093401 401182751 /nfs/dbraw/zinc/18/27/51/401182751.db2.gz NSJIGJGRUCANPE-IONNQARKSA-N 1 0 304.619 3.050 10 0 DGAERO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)ncn1 ZINC000089652008 401233870 /nfs/dbraw/zinc/23/38/70/401233870.db2.gz ASKRXVDKOZWQJD-GDBMZVCRSA-N 1 0 302.809 3.296 10 0 DGAERO C[N@H+](CCOc1c(Cl)cccc1Cl)C[C@H]1C[C@@H](O)C1 ZINC000626042572 401287405 /nfs/dbraw/zinc/28/74/05/401287405.db2.gz LQPYYLZTWAVRLD-PHIMTYICSA-N 1 0 304.217 3.075 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2C)cc1 ZINC000358377464 286045122 /nfs/dbraw/zinc/04/51/22/286045122.db2.gz AYCPODBEEOLETP-AWEZNQCLSA-N 1 0 302.418 3.482 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)c2ccccc21 ZINC000621760000 401296204 /nfs/dbraw/zinc/29/62/04/401296204.db2.gz CVGLDKVAPHSTLK-ZBFHGGJFSA-N 1 0 302.418 3.032 10 0 DGAERO c1c(C[C@H]2CC[NH2+]C2)nnn1C1c2ccccc2-c2ccccc21 ZINC000630605449 401296658 /nfs/dbraw/zinc/29/66/58/401296658.db2.gz ZHDUALURGOFBOT-CQSZACIVSA-N 1 0 316.408 3.048 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)n(CC2CCC2)n1 ZINC000631042080 401376344 /nfs/dbraw/zinc/37/63/44/401376344.db2.gz VQNKRXLDJNREKM-GOSISDBHSA-N 1 0 324.472 3.299 10 0 DGAERO c1ccc([C@@H]([NH2+]Cc2ccc3nccnc3c2)[C@@H]2CCOC2)cc1 ZINC000634974704 401392616 /nfs/dbraw/zinc/39/26/16/401392616.db2.gz IOUUSIBZOCRVOA-YLJYHZDGSA-N 1 0 319.408 3.497 10 0 DGAERO CSc1ccc([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634979867 401394311 /nfs/dbraw/zinc/39/43/11/401394311.db2.gz QJGGLXAYIBNJHH-JSGCOSHPSA-N 1 0 313.488 3.026 10 0 DGAERO C[C@H]1CC(C[NH2+]Cc2ccncc2Br)C[C@H](C)O1 ZINC000631125507 401402701 /nfs/dbraw/zinc/40/27/01/401402701.db2.gz ARQMGEYUUFGCQC-QWRGUYRKSA-N 1 0 313.239 3.137 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c2c(c1)COCC2 ZINC000631243402 401435446 /nfs/dbraw/zinc/43/54/46/401435446.db2.gz GJAUNLFMDJVQHE-HHXXYDBFSA-N 1 0 315.457 3.444 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000631252770 401438597 /nfs/dbraw/zinc/43/85/97/401438597.db2.gz CYKPSFNCSAIXAF-RTBURBONSA-N 1 0 311.429 3.310 10 0 DGAERO Cc1nn(C)c(C[NH2+][C@@H](C)CC2CCC2)c1Br ZINC000631252494 401438639 /nfs/dbraw/zinc/43/86/39/401438639.db2.gz YQVQHBJVROLPKR-VIFPVBQESA-N 1 0 300.244 3.159 10 0 DGAERO c1cn(-c2ccccc2)nc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000631256881 401439205 /nfs/dbraw/zinc/43/92/05/401439205.db2.gz YIBSAMOXKLSSKY-MOPGFXCFSA-N 1 0 311.429 3.310 10 0 DGAERO O[C@@H](CC[NH2+][C@H]1CCSc2ccc(Cl)cc21)C(F)F ZINC000631695631 401538378 /nfs/dbraw/zinc/53/83/78/401538378.db2.gz BHEFJZJSFWWUEM-QWRGUYRKSA-N 1 0 307.793 3.483 10 0 DGAERO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1sccc1Br ZINC000631697762 401539107 /nfs/dbraw/zinc/53/91/07/401539107.db2.gz PMOMLOCFILVXJE-SVRRBLITSA-N 1 0 314.195 3.177 10 0 DGAERO c1[nH]nc2cccc(C[NH2+][C@H]3CCOC4(CCSCC4)C3)c12 ZINC000623466739 401524846 /nfs/dbraw/zinc/52/48/46/401524846.db2.gz KICXOOKKXCVCIR-AWEZNQCLSA-N 1 0 317.458 3.097 10 0 DGAERO OC1CCC([NH2+][C@H]2CCCCCN(Cc3ccccc3)C2)CC1 ZINC000631678287 401532587 /nfs/dbraw/zinc/53/25/87/401532587.db2.gz BZDJJUVIQLDIKN-GPJFCIFZSA-N 1 0 316.489 3.324 10 0 DGAERO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cccc(Br)c1 ZINC000631694616 401537878 /nfs/dbraw/zinc/53/78/78/401537878.db2.gz CSTNVJRJIXWHMH-KWQFWETISA-N 1 0 308.166 3.116 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000623744199 401574985 /nfs/dbraw/zinc/57/49/85/401574985.db2.gz QVSKEZSJRYJQNK-DTQAZKPQSA-N 1 0 300.446 3.328 10 0 DGAERO Fc1c(Br)cccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000623754480 401576513 /nfs/dbraw/zinc/57/65/13/401576513.db2.gz OVTLEMAQXSYULX-YPMHNXCESA-N 1 0 314.198 3.245 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000623823870 401583310 /nfs/dbraw/zinc/58/33/10/401583310.db2.gz NQAYXSWFMIOKFL-OWYHZJEWSA-N 1 0 302.462 3.054 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000623823869 401583511 /nfs/dbraw/zinc/58/35/11/401583511.db2.gz NQAYXSWFMIOKFL-GDAAHCPNSA-N 1 0 302.462 3.054 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c2c(c1)COCC2 ZINC000631729093 401545498 /nfs/dbraw/zinc/54/54/98/401545498.db2.gz GTWVOIBRUGKINB-YSIASYRMSA-N 1 0 315.457 3.444 10 0 DGAERO c1cn(-c2ccccc2)c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)n1 ZINC000623602238 401553994 /nfs/dbraw/zinc/55/39/94/401553994.db2.gz HZFXIEFHYKIAAD-IBGZPJMESA-N 1 0 319.408 3.103 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1Cl ZINC000624235647 401642550 /nfs/dbraw/zinc/64/25/50/401642550.db2.gz NQMWUWJLWZETRL-IHRRRGAJSA-N 1 0 304.217 3.184 10 0 DGAERO c1csc(CC2C[NH+](Cc3ccc(N4CCCC4)nc3)C2)c1 ZINC000628478912 401604387 /nfs/dbraw/zinc/60/43/87/401604387.db2.gz UDKIDTDXXNOCOC-UHFFFAOYSA-N 1 0 313.470 3.418 10 0 DGAERO CO[C@](C)(C[NH2+][C@@H](C)[C@H]1CCCCO1)COCc1ccccc1 ZINC000624012407 401612893 /nfs/dbraw/zinc/61/28/93/401612893.db2.gz ZNXOKNAMMNHFRJ-QXAKKESOSA-N 1 0 321.461 3.156 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C2 ZINC000624056108 401619472 /nfs/dbraw/zinc/61/94/72/401619472.db2.gz XWJVSOHUHKOIAV-LWYYNNOASA-N 1 0 315.457 3.313 10 0 DGAERO Cc1scc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000358570553 286096100 /nfs/dbraw/zinc/09/61/00/286096100.db2.gz JISNJOKOLULHFM-JHJVBQTASA-N 1 0 308.491 3.461 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000358559199 286093338 /nfs/dbraw/zinc/09/33/38/286093338.db2.gz PAWAEEAFKSXAIB-MRXNPFEDSA-N 1 0 302.462 3.056 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@H](c2cccs2)C2CC2)CC1 ZINC000358673327 286121082 /nfs/dbraw/zinc/12/10/82/286121082.db2.gz XSNBAPVCVYZSTC-INIZCTEOSA-N 1 0 319.474 3.150 10 0 DGAERO CCOc1ccccc1-c1nnc(SC[C@H](C)[NH+](C)C)o1 ZINC000358855153 286170141 /nfs/dbraw/zinc/17/01/41/286170141.db2.gz QLYAVJMWXQNEKQ-NSHDSACASA-N 1 0 307.419 3.178 10 0 DGAERO C[C@H](CSc1nnc(-c2ccccc2Cl)n1C)[NH+](C)C ZINC000358850874 286169226 /nfs/dbraw/zinc/16/92/26/286169226.db2.gz GXWYNDXCISWPDU-SNVBAGLBSA-N 1 0 310.854 3.178 10 0 DGAERO C[C@@H](CSc1nnc(-c2c[nH]c3ccccc32)o1)[NH+](C)C ZINC000358861087 286171667 /nfs/dbraw/zinc/17/16/67/286171667.db2.gz LUVPAJOWYFHKRF-JTQLQIEISA-N 1 0 302.403 3.260 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C12CCOCC2 ZINC000186311344 286288330 /nfs/dbraw/zinc/28/83/30/286288330.db2.gz YDROHSORIMDZFX-RRFJBIMHSA-N 1 0 315.523 3.470 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C12CCOCC2 ZINC000248652293 286291960 /nfs/dbraw/zinc/29/19/60/286291960.db2.gz YDROHSORIMDZFX-RBSFLKMASA-N 1 0 315.523 3.470 10 0 DGAERO Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261714846 292268528 /nfs/dbraw/zinc/26/85/28/292268528.db2.gz JNSSPWZXNDMOEU-NCXUSEDFSA-N 1 0 314.473 3.465 10 0 DGAERO c1ccc(CN2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)nc1 ZINC000359608751 286346205 /nfs/dbraw/zinc/34/62/05/286346205.db2.gz JBIBSQKLJRUHAC-GOSISDBHSA-N 1 0 321.468 3.004 10 0 DGAERO C[C@H]1CC[N@H+](CCC(=O)N2CCCCC2)[C@H](c2ccco2)C1 ZINC000359614456 286347181 /nfs/dbraw/zinc/34/71/81/286347181.db2.gz ZABUFPMTRKPJIV-HOTGVXAUSA-N 1 0 304.434 3.455 10 0 DGAERO CC(C)N(C)c1ccc(C[NH2+]C2(CCO)CCCCC2)cn1 ZINC000359746119 286372993 /nfs/dbraw/zinc/37/29/93/286372993.db2.gz HNSBBPZPZBTZGK-UHFFFAOYSA-N 1 0 305.466 3.101 10 0 DGAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ncc(Br)s2)C1(C)C ZINC000359931529 286390859 /nfs/dbraw/zinc/39/08/59/286390859.db2.gz KQFPUYSJCXOLNU-AVPPRXQKSA-N 1 0 319.268 3.055 10 0 DGAERO Brc1cnc(C[NH2+][C@@H]2CCOC3(CCC3)C2)s1 ZINC000359934358 286391516 /nfs/dbraw/zinc/39/15/16/286391516.db2.gz RTAIJYVSCOQHTI-SECBINFHSA-N 1 0 317.252 3.097 10 0 DGAERO Cc1noc(C)c1CC[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000359996834 286405246 /nfs/dbraw/zinc/40/52/46/286405246.db2.gz RZVPUSPSIWGWIU-HNNXBMFYSA-N 1 0 317.364 3.036 10 0 DGAERO c1ccc([C@H]2C[C@@H]2C[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000361377987 286663976 /nfs/dbraw/zinc/66/39/76/286663976.db2.gz JWBOSNWSLHPJPU-SJLPKXTDSA-N 1 0 309.413 3.124 10 0 DGAERO CCO[C@H]1C[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1(CC)CC ZINC000362941975 286879169 /nfs/dbraw/zinc/87/91/69/286879169.db2.gz RALSHGTUZKHPGI-IRXDYDNUSA-N 1 0 324.509 3.161 10 0 DGAERO Cc1ccc([C@@H](O)C[NH+]2CCC(c3nccc(C)n3)CC2)cc1 ZINC000363799551 286960167 /nfs/dbraw/zinc/96/01/67/286960167.db2.gz ZMMRFYDZTAFBSZ-SFHVURJKSA-N 1 0 311.429 3.006 10 0 DGAERO c1nn2ccccc2c1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000363887791 286968445 /nfs/dbraw/zinc/96/84/45/286968445.db2.gz LXTISCLPACWLBM-UHFFFAOYSA-N 1 0 306.413 3.184 10 0 DGAERO c1ccc(NCCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)nc1 ZINC000364385823 287020704 /nfs/dbraw/zinc/02/07/04/287020704.db2.gz LWZWXQYTNRAPHO-RCCFBDPRSA-N 1 0 317.477 3.459 10 0 DGAERO CCOCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000364438819 287026641 /nfs/dbraw/zinc/02/66/41/287026641.db2.gz BVWJGPCPHATPLR-MJGOQNOKSA-N 1 0 304.478 3.303 10 0 DGAERO [NH3+]C[C@H]1CCCCN1CCOc1ccc(Cl)cc1Cl ZINC000044557651 164552404 /nfs/dbraw/zinc/55/24/04/164552404.db2.gz UMLXDYJDWPXTHG-GFCCVEGCSA-N 1 0 303.233 3.185 10 0 DGAERO Cc1cc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c(C)s1 ZINC000166475609 164602120 /nfs/dbraw/zinc/60/21/20/164602120.db2.gz AMSUOVZBRSNYPF-ZFWWWQNUSA-N 1 0 318.490 3.418 10 0 DGAERO Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1F ZINC000170839293 164617059 /nfs/dbraw/zinc/61/70/59/164617059.db2.gz MGFDSFSHUWYQNO-UHFFFAOYSA-N 1 0 304.409 3.082 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ncc(-c2cccs2)o1 ZINC000175338965 164755018 /nfs/dbraw/zinc/75/50/18/164755018.db2.gz SGHIUDPARPBYKE-ZDUSSCGKSA-N 1 0 305.447 3.319 10 0 DGAERO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])c(C)n1[C@@H](C)c1ccccc1 ZINC000178652359 164844773 /nfs/dbraw/zinc/84/47/73/164844773.db2.gz UZHWLAOXSVMWFZ-HIFRSBDPSA-N 1 0 313.445 3.181 10 0 DGAERO CCCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000178901860 164849265 /nfs/dbraw/zinc/84/92/65/164849265.db2.gz OVJSNBNWFRSJFU-BZUAXINKSA-N 1 0 306.837 3.044 10 0 DGAERO C[NH2+]C1CCN(C(=O)CCCCCc2ccc(OC)cc2)CC1 ZINC000179137027 164853269 /nfs/dbraw/zinc/85/32/69/164853269.db2.gz ZCARPFUVIOIJKM-UHFFFAOYSA-N 1 0 318.461 3.009 10 0 DGAERO CC(C)(C[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000180079573 164873392 /nfs/dbraw/zinc/87/33/92/164873392.db2.gz QIDGUYDSTVWGPI-UHFFFAOYSA-N 1 0 310.445 3.331 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3cnn(C)c3)C1)[C@H](C)C2 ZINC000180636884 164890865 /nfs/dbraw/zinc/89/08/65/164890865.db2.gz LTUFMCPDTQDYFB-WRWLIDTKSA-N 1 0 324.472 3.220 10 0 DGAERO CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000180776124 164894098 /nfs/dbraw/zinc/89/40/98/164894098.db2.gz IMALZCIPESKWRU-QZTJIDSGSA-N 1 0 323.502 3.182 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000185250949 164997541 /nfs/dbraw/zinc/99/75/41/164997541.db2.gz PJKYLVPAXUKSLJ-IAGOWNOFSA-N 1 0 307.482 3.151 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)c2ccc(F)cc2C1 ZINC000185350943 165001694 /nfs/dbraw/zinc/00/16/94/165001694.db2.gz JNUYUQRQLOZCHO-LJQANCHMSA-N 1 0 312.388 3.409 10 0 DGAERO Cc1cccc2c(NC[C@]3(CCO)CCOC3)c(C)c[nH+]c12 ZINC000185351560 165002047 /nfs/dbraw/zinc/00/20/47/165002047.db2.gz REBCLTZXXBSHAD-SFHVURJKSA-N 1 0 300.402 3.053 10 0 DGAERO OCCC1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000186175301 165031006 /nfs/dbraw/zinc/03/10/06/165031006.db2.gz NGFDKBRJONQNAJ-UHFFFAOYSA-N 1 0 300.377 3.140 10 0 DGAERO CCC[C@H](C(=O)N1CC[C@H](c2c(F)cccc2F)C1)[NH+](C)C ZINC000186185976 165032345 /nfs/dbraw/zinc/03/23/45/165032345.db2.gz KIIBJCMOWADPPI-SWLSCSKDSA-N 1 0 310.388 3.011 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)C12CCOCC2 ZINC000186389218 165040732 /nfs/dbraw/zinc/04/07/32/165040732.db2.gz ROWIPJQMSHYFDA-JKSUJKDBSA-N 1 0 311.372 3.029 10 0 DGAERO CN(CC[N@H+](C)C1CC1)C(=O)c1ccccc1Cc1ccccc1 ZINC000186753195 165058360 /nfs/dbraw/zinc/05/83/60/165058360.db2.gz GPCRAHZGIHGPRL-UHFFFAOYSA-N 1 0 322.452 3.444 10 0 DGAERO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)C1CCSCC1 ZINC000186976508 165069886 /nfs/dbraw/zinc/06/98/86/165069886.db2.gz DNUFATQONAIAFE-CQSZACIVSA-N 1 0 301.459 3.494 10 0 DGAERO CCc1cnccc1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000187378724 165088759 /nfs/dbraw/zinc/08/87/59/165088759.db2.gz MBBZYPUPNWGNDM-UHFFFAOYSA-N 1 0 317.477 3.419 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(C)n1 ZINC000187379475 165089325 /nfs/dbraw/zinc/08/93/25/165089325.db2.gz HVOHORKDKCJJEE-INIZCTEOSA-N 1 0 311.433 3.074 10 0 DGAERO CSCc1cc(C(=O)N(C)CC2([NH+](C)C)CCC2)ccc1F ZINC000188000493 165109019 /nfs/dbraw/zinc/10/90/19/165109019.db2.gz WDELXKWADHTEEE-UHFFFAOYSA-N 1 0 324.465 3.245 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3ccccc3F)o2)C1 ZINC000188029264 165109437 /nfs/dbraw/zinc/10/94/37/165109437.db2.gz DTQBCXJRVLEORZ-ACJLOTCBSA-N 1 0 318.392 3.464 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)cc1 ZINC000188128606 165114492 /nfs/dbraw/zinc/11/44/92/165114492.db2.gz BQDDYHIGJRVHJZ-KRWDZBQOSA-N 1 0 311.381 3.395 10 0 DGAERO CO[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1C ZINC000188300783 165119916 /nfs/dbraw/zinc/11/99/16/165119916.db2.gz VOYPKVUONCSXOC-OCCSQVGLSA-N 1 0 305.447 3.005 10 0 DGAERO Cc1c2ccccc2oc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188764674 165135724 /nfs/dbraw/zinc/13/57/24/165135724.db2.gz RDFLCVQLICFAOQ-UHFFFAOYSA-N 1 0 306.365 3.274 10 0 DGAERO O=C(c1ccccc1Oc1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000188840982 165139818 /nfs/dbraw/zinc/13/98/18/165139818.db2.gz YUGBLLDWNVNFTE-UHFFFAOYSA-N 1 0 322.408 3.399 10 0 DGAERO CN1CC[C@H]([NH2+]Cc2ccc(F)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000189170261 165152835 /nfs/dbraw/zinc/15/28/35/165152835.db2.gz OUJWCRXPZDJLTN-RDJZCZTQSA-N 1 0 319.811 3.409 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(F)nc1)c1ccccc1 ZINC000189443380 165162211 /nfs/dbraw/zinc/16/22/11/165162211.db2.gz HKPUVAWMYUTFKQ-DLBZAZTESA-N 1 0 300.377 3.309 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000190126945 165190172 /nfs/dbraw/zinc/19/01/72/165190172.db2.gz QTPHWEQASFPIQY-UONOGXRCSA-N 1 0 321.465 3.032 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000190163046 165191624 /nfs/dbraw/zinc/19/16/24/165191624.db2.gz QMZOHGHXZJRMBD-AWEZNQCLSA-N 1 0 323.506 3.110 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1oc(CC(C)C)nc1C ZINC000190169770 165191741 /nfs/dbraw/zinc/19/17/41/165191741.db2.gz HQUWMDHLNIQDOT-CQSZACIVSA-N 1 0 323.481 3.422 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000190183276 165191754 /nfs/dbraw/zinc/19/17/54/165191754.db2.gz KVJREVDMWKZGIL-LBPRGKRZSA-N 1 0 321.490 3.008 10 0 DGAERO CCC(=O)CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000190329110 165198516 /nfs/dbraw/zinc/19/85/16/165198516.db2.gz DRXBXCONWFPQNM-HNNXBMFYSA-N 1 0 312.417 3.020 10 0 DGAERO CCCc1nc(CN2CCC(c3n[nH]c(CC)n3)CC2)cs1 ZINC000190671291 165211926 /nfs/dbraw/zinc/21/19/26/165211926.db2.gz DMNSYEAQIYVMKA-UHFFFAOYSA-N 1 0 319.478 3.156 10 0 DGAERO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000190693443 165212645 /nfs/dbraw/zinc/21/26/45/165212645.db2.gz AMUZZZOOAZXBIK-BBWFWOEESA-N 1 0 307.434 3.109 10 0 DGAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]CCC(C)C)C2)c1 ZINC000190782163 165215358 /nfs/dbraw/zinc/21/53/58/165215358.db2.gz LZXSTOCNCJTSMM-HNNXBMFYSA-N 1 0 306.450 3.166 10 0 DGAERO CCC[NH+]1CCC(C[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190955055 165222194 /nfs/dbraw/zinc/22/21/94/165222194.db2.gz LIDDTYUZGAAKQJ-UHFFFAOYSA-N 1 0 312.461 3.084 10 0 DGAERO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)CC1CCCC1 ZINC000191036363 165226242 /nfs/dbraw/zinc/22/62/42/165226242.db2.gz PXDDXNBALKVYDV-VQIMIIECSA-N 1 0 305.462 3.201 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000191061924 165228487 /nfs/dbraw/zinc/22/84/87/165228487.db2.gz RCFXDWDAQNKCIE-WMZOPIPTSA-N 1 0 317.477 3.047 10 0 DGAERO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000191063138 165229285 /nfs/dbraw/zinc/22/92/85/165229285.db2.gz NBMFAODBZVHLJB-RDJZCZTQSA-N 1 0 300.402 3.030 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCCSC2)c(-n2cc(Cl)cn2)n1 ZINC000191527090 165256821 /nfs/dbraw/zinc/25/68/21/165256821.db2.gz RWLUJBFDRLHDCS-CQSZACIVSA-N 1 0 322.865 3.214 10 0 DGAERO COc1cccc(-c2noc([C@H](C)[NH2+][C@@H]3CCCSC3)n2)c1 ZINC000191563626 165259143 /nfs/dbraw/zinc/25/91/43/165259143.db2.gz AWLXZKJQSHWSNZ-WCQYABFASA-N 1 0 319.430 3.291 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191596430 165260927 /nfs/dbraw/zinc/26/09/27/165260927.db2.gz UXKUUMHSTDBGJR-SFHVURJKSA-N 1 0 315.461 3.190 10 0 DGAERO CC(C)[N@H+](C)CC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000191938395 165275166 /nfs/dbraw/zinc/27/51/66/165275166.db2.gz WNOZUSPLFFHEEE-UHFFFAOYSA-N 1 0 316.367 3.308 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)C2)n1 ZINC000191977735 165276674 /nfs/dbraw/zinc/27/66/74/165276674.db2.gz FJHXXFZTWNGTRX-KBPBESRZSA-N 1 0 320.458 3.117 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@@H+]([C@@H](C)c3nnnn3C3CC3)C2)c1 ZINC000192175449 165284720 /nfs/dbraw/zinc/28/47/20/165284720.db2.gz PWRNYQCSUGOGFP-GJZGRUSLSA-N 1 0 311.433 3.175 10 0 DGAERO Cc1c[nH+]ccc1NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000192614075 165297794 /nfs/dbraw/zinc/29/77/94/165297794.db2.gz PHQBZEMVGGQOGZ-UHFFFAOYSA-N 1 0 309.413 3.354 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC23CCC3)C1 ZINC000365195343 287108692 /nfs/dbraw/zinc/10/86/92/287108692.db2.gz GLJWQVFKEWSEKK-MRXNPFEDSA-N 1 0 307.482 3.083 10 0 DGAERO CCn1c(C)cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000192771509 165306541 /nfs/dbraw/zinc/30/65/41/165306541.db2.gz RAIFIHYRRNHGGF-UHFFFAOYSA-N 1 0 317.477 3.073 10 0 DGAERO CSc1ccccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000193523200 165327197 /nfs/dbraw/zinc/32/71/97/165327197.db2.gz NEQNDFKWNMTPEH-UHFFFAOYSA-N 1 0 304.459 3.109 10 0 DGAERO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000194235283 165341613 /nfs/dbraw/zinc/34/16/13/165341613.db2.gz XQDOIWQLQILJGC-UHFFFAOYSA-N 1 0 314.454 3.451 10 0 DGAERO CC(C)N(C(=O)[C@@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2)C(C)C ZINC000194515320 165347991 /nfs/dbraw/zinc/34/79/91/165347991.db2.gz IWUCSCVPJIGPGS-CQSZACIVSA-N 1 0 303.450 3.078 10 0 DGAERO CC[C@H]1CCCCN1C(=O)[C@@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194518785 165348097 /nfs/dbraw/zinc/34/80/97/165348097.db2.gz SNQHNNZVBMSILM-KDOFPFPSSA-N 1 0 315.461 3.224 10 0 DGAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)NC1CCC(C)CC1 ZINC000194510221 165348836 /nfs/dbraw/zinc/34/88/36/165348836.db2.gz KXVKLAQUVSFBFH-XOYHFGRZSA-N 1 0 315.461 3.127 10 0 DGAERO CCCCc1noc([C@H](C)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000194733873 165354283 /nfs/dbraw/zinc/35/42/83/165354283.db2.gz RDNPTRNDMLTSIH-HNNXBMFYSA-N 1 0 320.481 3.281 10 0 DGAERO CC(C)Oc1ccc(Cl)cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195337416 165364891 /nfs/dbraw/zinc/36/48/91/165364891.db2.gz DIEMGCFKWNNUIN-AWEZNQCLSA-N 1 0 322.836 3.047 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](CCOCC(F)(F)F)C2)n1 ZINC000195336965 165365717 /nfs/dbraw/zinc/36/57/17/165365717.db2.gz UJDWEUQKYLVSTM-LLVKDONJSA-N 1 0 308.369 3.210 10 0 DGAERO CCCc1noc(CN2CCC[C@H](c3nc(C)cs3)C2)n1 ZINC000195323849 165365938 /nfs/dbraw/zinc/36/59/38/165365938.db2.gz RXBILSXWWUFFMJ-LBPRGKRZSA-N 1 0 306.435 3.167 10 0 DGAERO c1csc([C@H]2CCC[N@@H+](Cc3cccc4c3OCCO4)C2)n1 ZINC000195357935 165366713 /nfs/dbraw/zinc/36/67/13/165366713.db2.gz UQMWQMHDAGQHTE-AWEZNQCLSA-N 1 0 316.426 3.294 10 0 DGAERO Fc1ccc(-c2cnc(CN3CCC[N@@H+](C4CC4)CC3)o2)cc1 ZINC000195337836 165367504 /nfs/dbraw/zinc/36/75/04/165367504.db2.gz PRTNMTHNLJFFCQ-UHFFFAOYSA-N 1 0 315.392 3.151 10 0 DGAERO Clc1ccccc1OCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506577 165372476 /nfs/dbraw/zinc/37/24/76/165372476.db2.gz QTFNJXOVSORHHS-UHFFFAOYSA-N 1 0 305.809 3.322 10 0 DGAERO CN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000221144489 165379477 /nfs/dbraw/zinc/37/94/77/165379477.db2.gz FYWBKQIKFPTVDZ-LBPRGKRZSA-N 1 0 304.768 3.125 10 0 DGAERO OCC[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000227570359 165386857 /nfs/dbraw/zinc/38/68/57/165386857.db2.gz QTIQUDQKNYALBH-LBPRGKRZSA-N 1 0 306.793 3.199 10 0 DGAERO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](CCO)C3)cs2)cc1 ZINC000227569667 165387229 /nfs/dbraw/zinc/38/72/29/165387229.db2.gz PZIFFZVOCXVVQE-CQSZACIVSA-N 1 0 302.443 3.323 10 0 DGAERO CCCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1 ZINC000246104398 165503115 /nfs/dbraw/zinc/50/31/15/165503115.db2.gz JLBPFXMOQYXMDQ-QXAKKESOSA-N 1 0 319.445 3.244 10 0 DGAERO C/C(=C\C(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000365409322 287128973 /nfs/dbraw/zinc/12/89/73/287128973.db2.gz IFRWBYGMOZBKEJ-GXDHUFHOSA-N 1 0 316.420 3.362 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1ccccc1Cl ZINC000251502992 165691149 /nfs/dbraw/zinc/69/11/49/165691149.db2.gz FQPTVMLUSDDBCL-BRWVUGGUSA-N 1 0 319.836 3.343 10 0 DGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2C[C@@H]2c2ccco2)C1 ZINC000255079105 165707537 /nfs/dbraw/zinc/70/75/37/165707537.db2.gz LVGUAELAFVGCCA-ILXRZTDVSA-N 1 0 304.434 3.010 10 0 DGAERO Nc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000261630073 165726073 /nfs/dbraw/zinc/72/60/73/165726073.db2.gz DMPHWHROEOUVRK-LBPRGKRZSA-N 1 0 324.350 3.390 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1ncc(-c2ccccc2)o1 ZINC000261780430 165747313 /nfs/dbraw/zinc/74/73/13/165747313.db2.gz PHCQOKLXPBPWEV-UHFFFAOYSA-N 1 0 321.424 3.345 10 0 DGAERO C[C@H]1CCN(C(=O)c2cccc(OC3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000261875946 165759269 /nfs/dbraw/zinc/75/92/69/165759269.db2.gz SURYSBOBCHALFS-GOEBONIOSA-N 1 0 316.445 3.207 10 0 DGAERO CCN(CCc1cccs1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000261954177 165770306 /nfs/dbraw/zinc/77/03/06/165770306.db2.gz QKHSLPSVUGTQJK-BPUTZDHNSA-N 1 0 306.475 3.060 10 0 DGAERO C[C@H]1CCN(Cc2coc(-c3cccc(F)c3)n2)[C@@H](C[NH3+])C1 ZINC000262458223 165804582 /nfs/dbraw/zinc/80/45/82/165804582.db2.gz IHBKKTXVJSSIFJ-BLLLJJGKSA-N 1 0 303.381 3.040 10 0 DGAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262491925 165805292 /nfs/dbraw/zinc/80/52/92/165805292.db2.gz HSBXOBHYCATSKE-ZKUYNTJRSA-N 1 0 306.494 3.471 10 0 DGAERO C[C@@H](C(=O)Nc1nc(/C=C/c2ccccc2)cs1)C1C[NH2+]C1 ZINC000262507160 165806153 /nfs/dbraw/zinc/80/61/53/165806153.db2.gz JFRSXMDBWCBQSW-ABZNLYFFSA-N 1 0 313.426 3.108 10 0 DGAERO CC1(C)CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000262511834 165806370 /nfs/dbraw/zinc/80/63/70/165806370.db2.gz NAUWCNDHOKHOOC-GFCCVEGCSA-N 1 0 318.314 3.044 10 0 DGAERO CC(C)(CCc1ccccc1)NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000262518024 165807815 /nfs/dbraw/zinc/80/78/15/165807815.db2.gz NSLKTGZPPSICSR-IAGOWNOFSA-N 1 0 302.462 3.422 10 0 DGAERO Cc1ccc(Oc2ccccc2CNC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000262534965 165808991 /nfs/dbraw/zinc/80/89/91/165808991.db2.gz MLITYUGGXZOXBX-OAHLLOKOSA-N 1 0 324.424 3.259 10 0 DGAERO C[C@H](C(=O)Nc1c(F)cccc1Oc1ccccc1)C1C[NH2+]C1 ZINC000262595460 165811886 /nfs/dbraw/zinc/81/18/86/165811886.db2.gz WXQPFJFYTCFXTE-LBPRGKRZSA-N 1 0 314.360 3.412 10 0 DGAERO Cc1c[nH]nc1C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000365625638 287155378 /nfs/dbraw/zinc/15/53/78/287155378.db2.gz VNCKTNIVBOSVQC-LBPRGKRZSA-N 1 0 314.364 3.378 10 0 DGAERO c1cnc(Oc2ccc(C[N@@H+]3CCC34CCOCC4)cc2)cn1 ZINC000365822651 287176012 /nfs/dbraw/zinc/17/60/12/287176012.db2.gz BGUDVUUUYPQVKI-UHFFFAOYSA-N 1 0 311.385 3.024 10 0 DGAERO COc1cc(C)cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000365872106 287182903 /nfs/dbraw/zinc/18/29/03/287182903.db2.gz KBNMFECWLHATAU-HNNXBMFYSA-N 1 0 319.449 3.260 10 0 DGAERO c1cnn(-c2ccccc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000366021930 287201244 /nfs/dbraw/zinc/20/12/44/287201244.db2.gz HLCNXENCLXYYPQ-UHFFFAOYSA-N 1 0 319.368 3.145 10 0 DGAERO CCCCNC(=O)[C@@H](C)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000128923326 196004638 /nfs/dbraw/zinc/00/46/38/196004638.db2.gz IAWRHHZUZUZSBT-CQSZACIVSA-N 1 0 321.440 3.007 10 0 DGAERO Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H](n4cncn4)C3)on2)cc1 ZINC000171619160 432151425 /nfs/dbraw/zinc/15/14/25/432151425.db2.gz LHRGMTXRYSICON-INIZCTEOSA-N 1 0 323.400 3.079 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCSC[C@H](C)C1 ZINC000190461863 432159916 /nfs/dbraw/zinc/15/99/16/432159916.db2.gz FQGYGFYPWGLSJB-CQSZACIVSA-N 1 0 320.502 3.435 10 0 DGAERO C[C@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CCS1 ZINC000171688080 432160565 /nfs/dbraw/zinc/16/05/65/432160565.db2.gz PRLGIKDIRYRHEY-HNNXBMFYSA-N 1 0 318.486 3.250 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000171693686 432160786 /nfs/dbraw/zinc/16/07/86/432160786.db2.gz KLDOKEIYUYTYAI-CVEARBPZSA-N 1 0 320.502 3.249 10 0 DGAERO Cc1nc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)nc2ccccc12 ZINC000246749444 432161908 /nfs/dbraw/zinc/16/19/08/432161908.db2.gz HDHGTCPOFJWKIQ-HNAYVOBHSA-N 1 0 311.429 3.065 10 0 DGAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000182029821 432154118 /nfs/dbraw/zinc/15/41/18/432154118.db2.gz HBCHRAATUDGMBQ-CRAIPNDOSA-N 1 0 311.466 3.125 10 0 DGAERO Cc1ccccc1C1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000171629022 432154791 /nfs/dbraw/zinc/15/47/91/432154791.db2.gz HTMMUKKMJVROCV-QGZVFWFLSA-N 1 0 305.462 3.350 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000246700912 432155035 /nfs/dbraw/zinc/15/50/35/432155035.db2.gz JJDTTXPSUWDGHB-QZTJIDSGSA-N 1 0 313.445 3.124 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](Cc1cnc(CC(C)C)s1)C1CC1 ZINC000182069101 432157014 /nfs/dbraw/zinc/15/70/14/432157014.db2.gz KHPIINKQWQFHKF-LBPRGKRZSA-N 1 0 310.463 3.115 10 0 DGAERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000190461479 432158737 /nfs/dbraw/zinc/15/87/37/432158737.db2.gz LPMRNKZDSHSFOZ-AWEZNQCLSA-N 1 0 321.515 3.467 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000246736709 432159267 /nfs/dbraw/zinc/15/92/67/432159267.db2.gz ATTQZPSHEPLLLM-LKFCYVNXSA-N 1 0 316.779 3.077 10 0 DGAERO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000190560797 432171988 /nfs/dbraw/zinc/17/19/88/432171988.db2.gz SUCXPPCJQJQHAM-QGZVFWFLSA-N 1 0 313.507 3.414 10 0 DGAERO O=C(NCc1ccc2ccccc2c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000171700375 432162743 /nfs/dbraw/zinc/16/27/43/432162743.db2.gz DOJROCJYQBQFEF-UHFFFAOYSA-N 1 0 323.440 3.220 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000182150730 432162898 /nfs/dbraw/zinc/16/28/98/432162898.db2.gz HBSJJPPVYAQMSW-GLJUWKHASA-N 1 0 303.450 3.024 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000246775650 432164195 /nfs/dbraw/zinc/16/41/95/432164195.db2.gz CFUAXBXQWLCTCN-OLMNPRSZSA-N 1 0 315.461 3.166 10 0 DGAERO FC(F)(F)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246774034 432165066 /nfs/dbraw/zinc/16/50/66/432165066.db2.gz IELLFDWHYZKQPC-KGLIPLIRSA-N 1 0 317.376 3.412 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)C[C@H]1CCCO1 ZINC000137029848 432168627 /nfs/dbraw/zinc/16/86/27/432168627.db2.gz IGMAIELAXWWKRT-MRXNPFEDSA-N 1 0 304.434 3.133 10 0 DGAERO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)[C@H]1C=CCCC1 ZINC000171746471 432169152 /nfs/dbraw/zinc/16/91/52/432169152.db2.gz DNHVJCUFYITLBL-JKSUJKDBSA-N 1 0 306.475 3.162 10 0 DGAERO Cc1ccccc1C1(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000137101088 432169728 /nfs/dbraw/zinc/16/97/28/432169728.db2.gz QBIKRGXGGSVSOA-INIZCTEOSA-N 1 0 302.462 3.119 10 0 DGAERO C[N@@H+]1CCN(C[C@@H](O)c2cccc(Cl)c2)C2(CCCCC2)C1 ZINC000246887598 432178625 /nfs/dbraw/zinc/17/86/25/432178625.db2.gz DWOXLLBIBMCRBA-QGZVFWFLSA-N 1 0 322.880 3.324 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2OC)n1 ZINC000171859769 432179148 /nfs/dbraw/zinc/17/91/48/432179148.db2.gz TUTLJFFNIAFQGP-QGZVFWFLSA-N 1 0 312.413 3.306 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cccc(C)c1 ZINC000246935389 432183528 /nfs/dbraw/zinc/18/35/28/432183528.db2.gz KESQNKMTJGYIFN-MSOLQXFVSA-N 1 0 300.446 3.013 10 0 DGAERO CCCc1nc(C)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)s1 ZINC000246954711 432184429 /nfs/dbraw/zinc/18/44/29/432184429.db2.gz MDPXBAUVCDIMTK-KGLIPLIRSA-N 1 0 321.490 3.103 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000246962534 432185342 /nfs/dbraw/zinc/18/53/42/432185342.db2.gz MSVVEPAVNJAGRI-OLZOCXBDSA-N 1 0 315.392 3.006 10 0 DGAERO CCCc1nc(CN(C)[C@@H]2C[C@@H](OCC)C23CCCC3)no1 ZINC000246985631 432187931 /nfs/dbraw/zinc/18/79/31/432187931.db2.gz MGCBYPDDKSCVAC-ZIAGYGMSSA-N 1 0 307.438 3.192 10 0 DGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000150771013 432190679 /nfs/dbraw/zinc/19/06/79/432190679.db2.gz JRPXOPAIVUBPFU-WFASDCNBSA-N 1 0 302.418 3.482 10 0 DGAERO CC1(C)[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000247069012 432198600 /nfs/dbraw/zinc/19/86/00/432198600.db2.gz MWMPYKAPBYQGNS-IPMKNSEASA-N 1 0 314.473 3.449 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)cc21 ZINC000247022314 432192705 /nfs/dbraw/zinc/19/27/05/432192705.db2.gz HLOZXLYXSPROAY-SJKOYZFVSA-N 1 0 317.408 3.074 10 0 DGAERO c1ccc(COCCC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000182476962 432194430 /nfs/dbraw/zinc/19/44/30/432194430.db2.gz KZOQGVMZJXUTOF-LJQANCHMSA-N 1 0 312.413 3.142 10 0 DGAERO CCOCCC1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCCC1 ZINC000247035566 432194459 /nfs/dbraw/zinc/19/44/59/432194459.db2.gz ZZMZOONSCWJSFM-BBWFWOEESA-N 1 0 322.493 3.010 10 0 DGAERO CC(C)[N@H+]1C[C@H](Nc2cnc3cc(F)c(F)cc3n2)[C@@H](C)C1 ZINC000129787485 196076016 /nfs/dbraw/zinc/07/60/16/196076016.db2.gz SIGHDPOUFRMKQP-BONVTDFDSA-N 1 0 306.360 3.049 10 0 DGAERO C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000247049419 432195707 /nfs/dbraw/zinc/19/57/07/432195707.db2.gz NDPJMYSYTUSSBT-JKSUJKDBSA-N 1 0 318.461 3.373 10 0 DGAERO C[C@@H]([NH2+]CCCOc1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000150864676 432196788 /nfs/dbraw/zinc/19/67/88/432196788.db2.gz JFXOQEZXCXJFBM-MRXNPFEDSA-N 1 0 322.412 3.387 10 0 DGAERO O=C(NCCC[NH+]1CCCCC1)N1CCC[C@@H]1c1ccco1 ZINC000172171634 432201486 /nfs/dbraw/zinc/20/14/86/432201486.db2.gz SAPBKJDTISGRAI-OAHLLOKOSA-N 1 0 305.422 3.002 10 0 DGAERO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCCCS(=O)(=O)CC ZINC000190925524 432201744 /nfs/dbraw/zinc/20/17/44/432201744.db2.gz MBEFAOJXNBPPHS-HNNXBMFYSA-N 1 0 303.512 3.492 10 0 DGAERO CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)CC)cn1 ZINC000131275370 196156731 /nfs/dbraw/zinc/15/67/31/196156731.db2.gz LCLCHEKXQFNQNC-SFHVURJKSA-N 1 0 301.434 3.066 10 0 DGAERO Cc1ccccc1[C@@H](C)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000172287062 432206579 /nfs/dbraw/zinc/20/65/79/432206579.db2.gz AHHFKCNJZJRHSF-INIZCTEOSA-N 1 0 300.446 3.185 10 0 DGAERO CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000182576807 432206986 /nfs/dbraw/zinc/20/69/86/432206986.db2.gz PHHRTCIJILLOIE-GJZGRUSLSA-N 1 0 319.401 3.077 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(C(C)C)n2)[C@@H](C)C1 ZINC000247151870 432207660 /nfs/dbraw/zinc/20/76/60/432207660.db2.gz ACQQXNJDINSIDO-GXTWGEPZSA-N 1 0 309.479 3.069 10 0 DGAERO CSCCC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000150983376 432208160 /nfs/dbraw/zinc/20/81/60/432208160.db2.gz CNSFIUQELAHITN-HUUCEWRRSA-N 1 0 320.502 3.012 10 0 DGAERO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1C[C@H]1C ZINC000247178961 432208760 /nfs/dbraw/zinc/20/87/60/432208760.db2.gz ZCBFGRSHALIMLU-BREBYQMCSA-N 1 0 300.324 3.421 10 0 DGAERO Cc1ccc2cccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2n1 ZINC000247190084 432210032 /nfs/dbraw/zinc/21/00/32/432210032.db2.gz BKZGCXUSWYFVNV-GOEBONIOSA-N 1 0 311.429 3.098 10 0 DGAERO CS[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247216179 432211701 /nfs/dbraw/zinc/21/17/01/432211701.db2.gz CKHZDTWTAHDBBA-IMJJTQAJSA-N 1 0 306.475 3.032 10 0 DGAERO COc1ccc(OC)c([C@@H](C)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000247107109 432203961 /nfs/dbraw/zinc/20/39/61/432203961.db2.gz QHYUXOBKRREOKN-LSDHHAIUSA-N 1 0 306.450 3.229 10 0 DGAERO c1cc([C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)n[nH]1 ZINC000190939384 432204152 /nfs/dbraw/zinc/20/41/52/432204152.db2.gz UEJXFNZDGMCOOO-HOTGVXAUSA-N 1 0 303.450 3.471 10 0 DGAERO Cc1cccc(N2CCC(NC(=O)[C@@H](C)c3ccccc3)CC2)n1 ZINC000182746193 432224786 /nfs/dbraw/zinc/22/47/86/432224786.db2.gz CXIALRADPHCIEA-INIZCTEOSA-N 1 0 323.440 3.279 10 0 DGAERO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@@H](C)CC[C@@H]2C)C1 ZINC000247363752 432224812 /nfs/dbraw/zinc/22/48/12/432224812.db2.gz CKDSYKRBJOOLBX-IKGGRYGDSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC000191137566 432224962 /nfs/dbraw/zinc/22/49/62/432224962.db2.gz PUGHPOFGYMSCAT-CHWSQXEVSA-N 1 0 322.474 3.194 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247351811 432225035 /nfs/dbraw/zinc/22/50/35/432225035.db2.gz JSNBXIRDMLLTIP-IKGGRYGDSA-N 1 0 302.462 3.430 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000172619700 432226333 /nfs/dbraw/zinc/22/63/33/432226333.db2.gz RCTYHXFPEMTVPU-UHFFFAOYSA-N 1 0 322.368 3.051 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000247400478 432226737 /nfs/dbraw/zinc/22/67/37/432226737.db2.gz PJBIKNSMHFJFAJ-FHLIZLRMSA-N 1 0 313.445 3.016 10 0 DGAERO CCCOc1cccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000247394701 432227598 /nfs/dbraw/zinc/22/75/98/432227598.db2.gz MFWUKUVRXYKOPC-QAPCUYQASA-N 1 0 318.461 3.278 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000247254021 432216302 /nfs/dbraw/zinc/21/63/02/432216302.db2.gz UTXSAOYVQSKXFV-HOCLYGCPSA-N 1 0 316.445 3.173 10 0 DGAERO CC[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1nccs1 ZINC000247259399 432217003 /nfs/dbraw/zinc/21/70/03/432217003.db2.gz AYSABWCAJWPOCE-ZIAGYGMSSA-N 1 0 324.494 3.158 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)C)n2C)C1(CC)CC ZINC000191071344 432217566 /nfs/dbraw/zinc/21/75/66/432217566.db2.gz PCVAGHYQDAGPKU-KBPBESRZSA-N 1 0 308.470 3.012 10 0 DGAERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000247282481 432217900 /nfs/dbraw/zinc/21/79/00/432217900.db2.gz FYYRBZPDBBLJRR-LSDHHAIUSA-N 1 0 311.429 3.098 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1C ZINC000247287614 432218077 /nfs/dbraw/zinc/21/80/77/432218077.db2.gz YYIXQMGPNHQABI-HZPDHXFCSA-N 1 0 307.459 3.018 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)C1 ZINC000247282048 432219000 /nfs/dbraw/zinc/21/90/00/432219000.db2.gz KIYRWWMOTAFNAA-XYVMCAHJSA-N 1 0 315.461 3.118 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000182686937 432219466 /nfs/dbraw/zinc/21/94/66/432219466.db2.gz QTAFXZSIIUIROU-HUUCEWRRSA-N 1 0 307.434 3.302 10 0 DGAERO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000172536981 432220213 /nfs/dbraw/zinc/22/02/13/432220213.db2.gz BCVHKAGUCLURBO-DNVCBOLYSA-N 1 0 320.452 3.462 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000247291756 432220371 /nfs/dbraw/zinc/22/03/71/432220371.db2.gz GLDIBDDRNGFXHU-KBAYOESNSA-N 1 0 314.473 3.438 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C/C=C/c2cccc(F)c2)C1 ZINC000247314701 432221818 /nfs/dbraw/zinc/22/18/18/432221818.db2.gz RPGHNZGOJRKOHX-HIBMMOJTSA-N 1 0 316.420 3.172 10 0 DGAERO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2cccs2)cc1 ZINC000172603922 432223159 /nfs/dbraw/zinc/22/31/59/432223159.db2.gz WKTQDTAEPKFHOD-ZIAGYGMSSA-N 1 0 302.443 3.412 10 0 DGAERO CCc1csc([C@@H]2CCC[N@H+](CCCn3ccnc3)C2)n1 ZINC000182744163 432224033 /nfs/dbraw/zinc/22/40/33/432224033.db2.gz XCRJOJYDAQKBLI-CQSZACIVSA-N 1 0 304.463 3.172 10 0 DGAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000182735654 432224580 /nfs/dbraw/zinc/22/45/80/432224580.db2.gz WKBANRQKMPZPLB-UPJWGTAASA-N 1 0 320.399 3.202 10 0 DGAERO CCc1csc([C@H]2CCCN(CC[NH+]3CCCCC3)C2)n1 ZINC000132256477 196239477 /nfs/dbraw/zinc/23/94/77/196239477.db2.gz PRLDOELJAHRPGW-HNNXBMFYSA-N 1 0 307.507 3.371 10 0 DGAERO CCOC(=O)CCCC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000132610356 196270911 /nfs/dbraw/zinc/27/09/11/196270911.db2.gz PRWHJGSFJVJCIB-UHFFFAOYSA-N 1 0 305.418 3.263 10 0 DGAERO Cc1cccc(F)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000134043877 196356982 /nfs/dbraw/zinc/35/69/82/196356982.db2.gz IHXOJMQXFNHCFD-AGUYFDCRSA-N 1 0 305.397 3.271 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](O)COc1cc(C)cc(C)c1)c1nccs1 ZINC000134237643 196372501 /nfs/dbraw/zinc/37/25/01/196372501.db2.gz FUSOJSXSMIJEGI-GDBMZVCRSA-N 1 0 320.458 3.241 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cccc(F)c1Cl ZINC000134528704 196398998 /nfs/dbraw/zinc/39/89/98/196398998.db2.gz NQYHZQYARCGBIT-UHFFFAOYSA-N 1 0 304.752 3.012 10 0 DGAERO CC[C@@H]1C[C@H](CN2CC[NH2+]C[C@H]2c2ccccc2Cl)CCO1 ZINC000261702915 287303415 /nfs/dbraw/zinc/30/34/15/287303415.db2.gz LRQNOPJURHIDNR-RKVPGOIHSA-N 1 0 322.880 3.492 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151271669 196657203 /nfs/dbraw/zinc/65/72/03/196657203.db2.gz IUWVPHGKAURIBR-CVEARBPZSA-N 1 0 316.445 3.239 10 0 DGAERO c1c(C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)nc2ncccn12 ZINC000297363932 227068685 /nfs/dbraw/zinc/06/86/85/227068685.db2.gz HAHSEZKJPBCEHN-SJLPKXTDSA-N 1 0 306.413 3.403 10 0 DGAERO c1c(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)nc2ncccn12 ZINC000298053022 227810298 /nfs/dbraw/zinc/81/02/98/227810298.db2.gz IYPSLIFWYGVWQW-IRXDYDNUSA-N 1 0 306.413 3.230 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1)N(C)C1CC1 ZINC000158024623 228236126 /nfs/dbraw/zinc/23/61/26/228236126.db2.gz QDWDSULUMBTKJC-JTQLQIEISA-N 1 0 315.230 3.161 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000172170121 228274764 /nfs/dbraw/zinc/27/47/64/228274764.db2.gz PREMBCXLWKLQQL-CVEARBPZSA-N 1 0 302.462 3.211 10 0 DGAERO Cc1nc(C)c(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)s1 ZINC000172794151 228277513 /nfs/dbraw/zinc/27/75/13/228277513.db2.gz VRQZESNJOYVWGX-AWEZNQCLSA-N 1 0 304.463 3.447 10 0 DGAERO O=C1NCC[C@@H]1[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000179049692 228349382 /nfs/dbraw/zinc/34/93/82/228349382.db2.gz UHGCCGDYVHJYIE-JKSUJKDBSA-N 1 0 306.837 3.440 10 0 DGAERO CCn1cnnc1C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000179458523 228351523 /nfs/dbraw/zinc/35/15/23/228351523.db2.gz BDWNHKTUEKKDOG-UHFFFAOYSA-N 1 0 302.397 3.125 10 0 DGAERO COC[C@H]([NH2+]Cc1ccccc1OC(C)C)C1CCOCC1 ZINC000187807840 228441734 /nfs/dbraw/zinc/44/17/34/228441734.db2.gz CLMIEUMTELKHDS-KRWDZBQOSA-N 1 0 307.434 3.005 10 0 DGAERO CSc1ccc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)nn1 ZINC000302021735 230041627 /nfs/dbraw/zinc/04/16/27/230041627.db2.gz OGCFTOLYPCJFJG-ZDUSSCGKSA-N 1 0 302.447 3.131 10 0 DGAERO CCc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)oc1CC ZINC000131206228 292649421 /nfs/dbraw/zinc/64/94/21/292649421.db2.gz UZSPSXUEXMPZOW-CYBMUJFWSA-N 1 0 320.458 3.499 10 0 DGAERO Cc1csc2nc(C)nc(N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)c12 ZINC000302294682 230210440 /nfs/dbraw/zinc/21/04/40/230210440.db2.gz OGEQDKGHQIOXHN-GWCFXTLKSA-N 1 0 304.463 3.449 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)C1CCSCC1)NC(=O)OC(C)(C)C ZINC000187324424 263672495 /nfs/dbraw/zinc/67/24/95/263672495.db2.gz OFSGZNCJVLOKGO-OLZOCXBDSA-N 1 0 316.511 3.411 10 0 DGAERO COc1cc2c(c(C[NH2+]C[C@H]3CCC(C)(C)O3)c1)O[C@H](C)C2 ZINC000189721057 263725075 /nfs/dbraw/zinc/72/50/75/263725075.db2.gz UAHKYCFGPIOORP-IUODEOHRSA-N 1 0 305.418 3.066 10 0 DGAERO CCCn1c(C(=O)N2CCC([NH+](C)C)CC2)cc2ccccc21 ZINC000191428779 263754786 /nfs/dbraw/zinc/75/47/86/263754786.db2.gz XTCDWJQKWIVOFE-UHFFFAOYSA-N 1 0 313.445 3.218 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000191574691 263757554 /nfs/dbraw/zinc/75/75/54/263757554.db2.gz MNWCGGXVTAJOBP-LJQANCHMSA-N 1 0 313.441 3.399 10 0 DGAERO c1ccc(OCCN2CC[NH+](CC34CCC(CC3)C4)CC2)cc1 ZINC000347732272 264275054 /nfs/dbraw/zinc/27/50/54/264275054.db2.gz FNWPKMDXIHQXKF-UHFFFAOYSA-N 1 0 314.473 3.263 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)CN1CCn2ncnc2C1 ZINC000348185323 264360056 /nfs/dbraw/zinc/36/00/56/264360056.db2.gz JXWIKRICQKXXHY-GHXNOFRVSA-N 1 0 322.334 3.216 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000348204694 264364751 /nfs/dbraw/zinc/36/47/51/264364751.db2.gz HUYQCNMYRHDBFS-GOSISDBHSA-N 1 0 314.473 3.483 10 0 DGAERO C[N@H+](Cc1ccc(Br)cc1Cl)[C@H]1CCC[C@H]1O ZINC000352669651 265122605 /nfs/dbraw/zinc/12/26/05/265122605.db2.gz BJNVYRLQUHNRHP-QWHCGFSZSA-N 1 0 318.642 3.448 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1(CCO)CC1 ZINC000352933378 265236879 /nfs/dbraw/zinc/23/68/79/265236879.db2.gz GOMWHYVNTLOJGB-RAXLEYEMSA-N 1 0 311.372 3.444 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc2ccccc21 ZINC000247407810 432229134 /nfs/dbraw/zinc/22/91/34/432229134.db2.gz PWMNEBGNOPNNDN-YJBOKZPZSA-N 1 0 323.440 3.218 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc2ccccc21 ZINC000247407807 432229251 /nfs/dbraw/zinc/22/92/51/432229251.db2.gz PWMNEBGNOPNNDN-QAPCUYQASA-N 1 0 323.440 3.218 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000355227959 266006922 /nfs/dbraw/zinc/00/69/22/266006922.db2.gz VIIZEQXXZUQMCL-DZKIICNBSA-N 1 0 322.474 3.243 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000172749627 432233520 /nfs/dbraw/zinc/23/35/20/432233520.db2.gz NPNQINMAGSHKKF-AWEZNQCLSA-N 1 0 304.434 3.453 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2C(F)(F)F)C1 ZINC000247503060 432236461 /nfs/dbraw/zinc/23/64/61/432236461.db2.gz XSXXMFFREGKBTJ-SMDDNHRTSA-N 1 0 314.351 3.164 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC000247503865 432235513 /nfs/dbraw/zinc/23/55/13/432235513.db2.gz XRXDXPOIDJKEQK-FAHTYWLASA-N 1 0 307.482 3.126 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000247506590 432237932 /nfs/dbraw/zinc/23/79/32/432237932.db2.gz VIORGONASKKPIU-SWLSCSKDSA-N 1 0 324.852 3.151 10 0 DGAERO O=C(N[C@H](c1ccccc1)C1CCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247507671 432238114 /nfs/dbraw/zinc/23/81/14/432238114.db2.gz OXYAPISTHSNIFU-ZWKOTPCHSA-N 1 0 313.445 3.017 10 0 DGAERO CC[NH+](CC)CCSc1cc(C)nc(-c2ccncc2)n1 ZINC000172821180 432238720 /nfs/dbraw/zinc/23/87/20/432238720.db2.gz NZUQDMGIWREAQL-UHFFFAOYSA-N 1 0 302.447 3.281 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2coc3ccccc23)[C@@H](C)C1 ZINC000247539841 432239165 /nfs/dbraw/zinc/23/91/65/432239165.db2.gz XXYRKTYJAHGDDR-BBRMVZONSA-N 1 0 300.402 3.235 10 0 DGAERO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247565430 432241045 /nfs/dbraw/zinc/24/10/45/432241045.db2.gz RFNNGAJBMDCZIA-ZBFHGGJFSA-N 1 0 324.415 3.213 10 0 DGAERO O[C@@H](COCc1ccccc1F)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247567507 432241240 /nfs/dbraw/zinc/24/12/40/432241240.db2.gz VZHHAVWEENWVJY-WBVHZDCISA-N 1 0 319.376 3.133 10 0 DGAERO Cc1cc(C)n(-c2ccc(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)cc2)n1 ZINC000247553426 432242171 /nfs/dbraw/zinc/24/21/71/432242171.db2.gz ZLXIIFDJVOEVEF-YLJYHZDGSA-N 1 0 324.472 3.158 10 0 DGAERO C[C@H](CCc1ccccc1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247588745 432242529 /nfs/dbraw/zinc/24/25/29/432242529.db2.gz JIUKWLYUCDZSAK-MJGOQNOKSA-N 1 0 324.472 3.399 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2NCc1ccc(OCC2CC2)cc1 ZINC000191297642 432247625 /nfs/dbraw/zinc/24/76/25/432247625.db2.gz BDIOEBGPOHLRNQ-KRWDZBQOSA-N 1 0 312.417 3.000 10 0 DGAERO CCOC(=O)c1cnccc1N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000359868588 271004799 /nfs/dbraw/zinc/00/47/99/271004799.db2.gz DRKNVIPQNPFILG-MWLCHTKSSA-N 1 0 302.296 3.035 10 0 DGAERO Brc1ccc2[nH]c(CN3CCC34CCC4)nc2c1 ZINC000359870298 271004983 /nfs/dbraw/zinc/00/49/83/271004983.db2.gz FDIIIUZRYGGLHV-UHFFFAOYSA-N 1 0 306.207 3.454 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cccc(-c3cccnc3)c1)CC2 ZINC000368088325 271132025 /nfs/dbraw/zinc/13/20/25/271132025.db2.gz GLOQJMOLJXYRHQ-KRWDZBQOSA-N 1 0 304.397 3.119 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+]Cc1cccc(-c3cccnc3)c1)CC2 ZINC000368088326 271132081 /nfs/dbraw/zinc/13/20/81/271132081.db2.gz GLOQJMOLJXYRHQ-QGZVFWFLSA-N 1 0 304.397 3.119 10 0 DGAERO FC(F)(F)Sc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000368610872 271181263 /nfs/dbraw/zinc/18/12/63/271181263.db2.gz BLKJMRCNGQBEHE-XYYAHUGASA-N 1 0 303.349 3.281 10 0 DGAERO COCC[C@H]1CCCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000368654940 271187622 /nfs/dbraw/zinc/18/76/22/271187622.db2.gz FDIONKOSGYXZRE-CQSZACIVSA-N 1 0 318.465 3.129 10 0 DGAERO Cc1nccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000370561530 271369879 /nfs/dbraw/zinc/36/98/79/271369879.db2.gz MNOBFMNMGIBHMX-IAGOWNOFSA-N 1 0 315.417 3.246 10 0 DGAERO CC[NH+](CC)CCNC(=O)c1sc(C2CCCC2)nc1C ZINC000173007623 432251390 /nfs/dbraw/zinc/25/13/90/432251390.db2.gz OJFCDMUUKNSOII-UHFFFAOYSA-N 1 0 309.479 3.181 10 0 DGAERO O=C(CC[N@@H+]1CCCC12CCC2)N1CCc2sccc2C1 ZINC000373101248 271594706 /nfs/dbraw/zinc/59/47/06/271594706.db2.gz VMMNPMAJGLRCAC-UHFFFAOYSA-N 1 0 304.459 3.041 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@H]2CCCc3ccccc32)cn1 ZINC000151532706 432253598 /nfs/dbraw/zinc/25/35/98/432253598.db2.gz ZJFAZTABJVHVDQ-SFHVURJKSA-N 1 0 304.397 3.435 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@@H]2CCCOc3ccccc32)cn1 ZINC000151520700 432254019 /nfs/dbraw/zinc/25/40/19/432254019.db2.gz MWCJQGRYQGWSOJ-QGZVFWFLSA-N 1 0 320.396 3.271 10 0 DGAERO C[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000247924458 432255251 /nfs/dbraw/zinc/25/52/51/432255251.db2.gz CLTMQEFHPYXOEX-UBDQQSCGSA-N 1 0 300.446 3.374 10 0 DGAERO Brc1ccc(C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000286027538 273473065 /nfs/dbraw/zinc/47/30/65/273473065.db2.gz HQRRDJDBQXEHRA-OAHLLOKOSA-N 1 0 310.235 3.417 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1-n1cncn1 ZINC000247101449 273547463 /nfs/dbraw/zinc/54/74/63/273547463.db2.gz QBBVCEXQLCLRQN-PVAVHDDUSA-N 1 0 313.449 3.213 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1nc3cc(F)ccc3o1)CC2 ZINC000247968927 432257494 /nfs/dbraw/zinc/25/74/94/432257494.db2.gz HBIIFUOJWMYJAO-SJCJKPOMSA-N 1 0 304.365 3.094 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2F)cc1F ZINC000102698846 274117626 /nfs/dbraw/zinc/11/76/26/274117626.db2.gz VWZRXOIDPSSNCE-NSHDSACASA-N 1 0 320.339 3.263 10 0 DGAERO C[C@@H]1CCCN(c2ncc(Br)cc2Cl)[C@H]1C[NH3+] ZINC000261540363 274292282 /nfs/dbraw/zinc/29/22/82/274292282.db2.gz GGDNOLDROYSGEV-KCJUWKMLSA-N 1 0 318.646 3.061 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccccc1-n1cccn1 ZINC000177286428 274515290 /nfs/dbraw/zinc/51/52/90/274515290.db2.gz BFWVMACJVKUZFL-KXBFYZLASA-N 1 0 313.445 3.464 10 0 DGAERO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H](C)c3ccncc3)C2=O)c(C)c1 ZINC000191081588 274684195 /nfs/dbraw/zinc/68/41/95/274684195.db2.gz NWLBFOJDHRCHHS-FUHWJXTLSA-N 1 0 323.440 3.463 10 0 DGAERO CC[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1nccn1C ZINC000183105460 432259119 /nfs/dbraw/zinc/25/91/19/432259119.db2.gz SDAQDRWDGKGNKR-CQSZACIVSA-N 1 0 304.463 3.191 10 0 DGAERO CSc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)o1 ZINC000247987671 432259402 /nfs/dbraw/zinc/25/94/02/432259402.db2.gz IQCWGUJFBOBYNC-CZUORRHYSA-N 1 0 316.426 3.177 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191396893 432259552 /nfs/dbraw/zinc/25/95/52/432259552.db2.gz SRCULRANRLEXKU-AEFFLSMTSA-N 1 0 318.509 3.088 10 0 DGAERO O=C(N[C@@H]1CCCc2sccc21)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000250175007 274984739 /nfs/dbraw/zinc/98/47/39/274984739.db2.gz NQKCCZHRSOCQON-BEAPCOKYSA-N 1 0 304.459 3.162 10 0 DGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccc(Cl)cc21 ZINC000178091595 275006655 /nfs/dbraw/zinc/00/66/55/275006655.db2.gz QOROPTYUSRVNAT-QEJZJMRPSA-N 1 0 304.821 3.150 10 0 DGAERO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCc2c(Cl)cccc2C1 ZINC000159306124 275006945 /nfs/dbraw/zinc/00/69/45/275006945.db2.gz PTWIFYGJVALLAM-DQYPLSBCSA-N 1 0 318.848 3.145 10 0 DGAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2ccc(Cl)cc21 ZINC000246774510 275006973 /nfs/dbraw/zinc/00/69/73/275006973.db2.gz QOROPTYUSRVNAT-YUELXQCFSA-N 1 0 304.821 3.150 10 0 DGAERO Brc1cc2c(s1)CC[C@H]2[NH2+][C@H]1CCCOC1 ZINC000293592253 275368468 /nfs/dbraw/zinc/36/84/68/275368468.db2.gz FNHGRYWYFCEGMY-WCBMZHEXSA-N 1 0 302.237 3.267 10 0 DGAERO Clc1ccc(Cc2nnc(NCC[NH+]3CCCC3)s2)cc1 ZINC000489390705 429235094 /nfs/dbraw/zinc/23/50/94/429235094.db2.gz QHURDFGPBJJTED-UHFFFAOYSA-N 1 0 322.865 3.290 10 0 DGAERO COc1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCCO3)co2)cc1 ZINC000183103784 432260627 /nfs/dbraw/zinc/26/06/27/432260627.db2.gz ITTWYBZXLCONHU-MLGOLLRUSA-N 1 0 302.374 3.007 10 0 DGAERO CCC1(CC)[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@H](C)[C@@H]1OC ZINC000191403733 432260864 /nfs/dbraw/zinc/26/08/64/432260864.db2.gz JFHVBSIOVLQHPO-MAZHCROVSA-N 1 0 320.481 3.012 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000173138017 432260894 /nfs/dbraw/zinc/26/08/94/432260894.db2.gz OVISGUKPCFYCJG-ZDUSSCGKSA-N 1 0 321.490 3.181 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000190227220 275625981 /nfs/dbraw/zinc/62/59/81/275625981.db2.gz JWJOKLIBYQFUIZ-QGZVFWFLSA-N 1 0 316.445 3.006 10 0 DGAERO CC1(C)CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])c2cccc(Cl)c21 ZINC000261718912 275839278 /nfs/dbraw/zinc/83/92/78/275839278.db2.gz JVUPRFFYRQAQFC-VXGBXAGGSA-N 1 0 306.837 3.339 10 0 DGAERO CC1CC[NH+](CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000127210702 275938147 /nfs/dbraw/zinc/93/81/47/275938147.db2.gz BLVNVYIPGBCPTO-INIZCTEOSA-N 1 0 316.445 3.137 10 0 DGAERO CC(C)[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000170917351 275979307 /nfs/dbraw/zinc/97/93/07/275979307.db2.gz HPAUWLGRWJUYOD-AEFFLSMTSA-N 1 0 316.445 3.137 10 0 DGAERO CCC[C@]1(COC)CCC[N@@H+]1Cc1cnc2nc(C)cc(C)n12 ZINC000195198902 276053958 /nfs/dbraw/zinc/05/39/58/276053958.db2.gz ZVBJWRAWZHKACZ-GOSISDBHSA-N 1 0 316.449 3.127 10 0 DGAERO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)CCC2 ZINC000333532805 276058629 /nfs/dbraw/zinc/05/86/29/276058629.db2.gz IFLKTVNLXIUFBA-KKXDTOCCSA-N 1 0 315.461 3.319 10 0 DGAERO CCN(C)C(=O)CC[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000245693331 276065676 /nfs/dbraw/zinc/06/56/76/276065676.db2.gz QMRRDUBVEFVCPL-PBHICJAKSA-N 1 0 306.475 3.033 10 0 DGAERO CC[N@H+](CCNC(=O)N[C@H]1CCc2cc(Cl)ccc21)C1CC1 ZINC000101996048 276128357 /nfs/dbraw/zinc/12/83/57/276128357.db2.gz CQKXXXUHEMSRJH-INIZCTEOSA-N 1 0 321.852 3.111 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000174311159 276185900 /nfs/dbraw/zinc/18/59/00/276185900.db2.gz JRRISWKUOLCVMP-GOEBONIOSA-N 1 0 321.852 3.111 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)c2nc(C)nc3scc(C)c32)[C@H](C)C1 ZINC000125439376 276214613 /nfs/dbraw/zinc/21/46/13/276214613.db2.gz BPLATFRLDFOOQE-BXUZGUMPSA-N 1 0 318.490 3.475 10 0 DGAERO CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CC(F)(F)F)C1(C)C ZINC000469718652 276238394 /nfs/dbraw/zinc/23/83/94/276238394.db2.gz VMEJBWOFVPQDAR-RWMBFGLXSA-N 1 0 311.388 3.215 10 0 DGAERO CC[N@H+](CCNC(=O)N1CCC[C@@]2(CC=CCC2)C1)C1CC1 ZINC000114526898 276345841 /nfs/dbraw/zinc/34/58/41/276345841.db2.gz SRPPSOQGQLHSEN-SFHVURJKSA-N 1 0 305.466 3.003 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCc3occc32)C12CCOCC2 ZINC000248920730 276354885 /nfs/dbraw/zinc/35/48/85/276354885.db2.gz FAJAOZDDYVESPT-BHYGNILZSA-N 1 0 305.418 3.221 10 0 DGAERO CC[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000155935896 276434853 /nfs/dbraw/zinc/43/48/53/276434853.db2.gz HDCIOKFCOTYLAA-QGZVFWFLSA-N 1 0 302.466 3.394 10 0 DGAERO CC[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000123022976 276514383 /nfs/dbraw/zinc/51/43/83/276514383.db2.gz LBRQANMGJBWEOI-GOSISDBHSA-N 1 0 318.436 3.406 10 0 DGAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000245740594 276588669 /nfs/dbraw/zinc/58/86/69/276588669.db2.gz GCQJNWIMQPZURK-XLMAVXFVSA-N 1 0 304.482 3.193 10 0 DGAERO C[N@@H+]1CC[C@@H]2CCN(Cc3cc4ccccc4nc3Cl)[C@H]2C1 ZINC000245894777 277146024 /nfs/dbraw/zinc/14/60/24/277146024.db2.gz CVJLSYOXMDGYOA-DYVFJYSZSA-N 1 0 315.848 3.414 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H]1c1ccccc1 ZINC000180171132 277169257 /nfs/dbraw/zinc/16/92/57/277169257.db2.gz HWJAJBNUUQEWQB-OALUTQOASA-N 1 0 319.408 3.343 10 0 DGAERO CN1C[C@@H]2C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000011760928 277200040 /nfs/dbraw/zinc/20/00/40/277200040.db2.gz PSQTYWWLSZGJAT-DZKIICNBSA-N 1 0 324.346 3.073 10 0 DGAERO C[NH2+]CC(=O)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000193136652 277264747 /nfs/dbraw/zinc/26/47/47/277264747.db2.gz CBBVQETVYHIWHU-UYAOXDASSA-N 1 0 308.425 3.183 10 0 DGAERO CC(C)(C)c1cnc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000333137943 277271409 /nfs/dbraw/zinc/27/14/09/277271409.db2.gz KLOPTXTXBKMCJJ-UHFFFAOYSA-N 1 0 322.478 3.048 10 0 DGAERO CC(C)(C)n1cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000092785888 277284446 /nfs/dbraw/zinc/28/44/46/277284446.db2.gz JWKRICMITXHCCY-QGZVFWFLSA-N 1 0 304.482 3.088 10 0 DGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000097466681 277378006 /nfs/dbraw/zinc/37/80/06/277378006.db2.gz WEBUPLSRMUYVOO-CHWSQXEVSA-N 1 0 308.388 3.011 10 0 DGAERO COCC[C@@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000081705859 277544927 /nfs/dbraw/zinc/54/49/27/277544927.db2.gz OULBOJYLXDMFPT-MFKMUULPSA-N 1 0 314.223 3.287 10 0 DGAERO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C1CCCC1 ZINC000172168260 277624998 /nfs/dbraw/zinc/62/49/98/277624998.db2.gz MEGHMKKYDZXIEO-SJKOYZFVSA-N 1 0 304.409 3.314 10 0 DGAERO C[C@@H]1CCC[C@@H](C)C1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178961229 277701827 /nfs/dbraw/zinc/70/18/27/277701827.db2.gz WZFTZOJTFLMTCD-WXLSXGNJSA-N 1 0 309.498 3.231 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3nccs3)C2)c1 ZINC000091726239 278016035 /nfs/dbraw/zinc/01/60/35/278016035.db2.gz DQWQQOIMNYQBCF-KGLIPLIRSA-N 1 0 317.458 3.471 10 0 DGAERO CC(C)c1ccc(C2(C[NH2+][C@@H]3CCNC3=O)CCCC2)cc1 ZINC000179067289 278033944 /nfs/dbraw/zinc/03/39/44/278033944.db2.gz GAGGIOWBXNODCQ-QGZVFWFLSA-N 1 0 300.446 3.100 10 0 DGAERO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1CCCC1 ZINC000172591364 278238065 /nfs/dbraw/zinc/23/80/65/278238065.db2.gz QYJIQFLNHNEVFT-HNNXBMFYSA-N 1 0 307.482 3.225 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)c1cn[nH]c1 ZINC000222453980 278374893 /nfs/dbraw/zinc/37/48/93/278374893.db2.gz BBQTWRVZZCIKNW-MEBBXXQBSA-N 1 0 320.234 3.380 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000068222780 431115640 /nfs/dbraw/zinc/11/56/40/431115640.db2.gz ZPNNYVRMNSJMHB-CQSZACIVSA-N 1 0 305.397 3.013 10 0 DGAERO CC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H](C)C(C)C ZINC000246565943 279050436 /nfs/dbraw/zinc/05/04/36/279050436.db2.gz DRLQCULYFMIMQD-OLZOCXBDSA-N 1 0 308.388 3.154 10 0 DGAERO CC(C)C[C@H](C)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000185122631 279082278 /nfs/dbraw/zinc/08/22/78/279082278.db2.gz MUBWSABKEXDWLN-HNNXBMFYSA-N 1 0 306.450 3.385 10 0 DGAERO C[C@H](CC[NH2+][C@@H]1CCSc2c(F)cccc21)[S@](C)=O ZINC000163531500 279267642 /nfs/dbraw/zinc/26/76/42/279267642.db2.gz LHERANMJIHRIOW-NMLGDKRHSA-N 1 0 301.452 3.109 10 0 DGAERO Cc1sc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)nc1-c1ccc(C)cc1 ZINC000237795220 279284690 /nfs/dbraw/zinc/28/46/90/279284690.db2.gz FJGXZTUXQYWYSO-UONOGXRCSA-N 1 0 315.442 3.493 10 0 DGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CCCCc4ccccc43)C2)cn1 ZINC000245473817 279339640 /nfs/dbraw/zinc/33/96/40/279339640.db2.gz QGBFKUUWUJUQDM-XLIONFOSSA-N 1 0 324.472 3.446 10 0 DGAERO CCc1cccc2c(CC(=O)NCC[N@@H+](C)[C@@H](C)CC)c[nH]c21 ZINC000109270376 431176518 /nfs/dbraw/zinc/17/65/18/431176518.db2.gz GTOPSZAMMIISJG-AWEZNQCLSA-N 1 0 315.461 3.119 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(N(C)C(C)C)c2)C1 ZINC000069372669 431179364 /nfs/dbraw/zinc/17/93/64/431179364.db2.gz ZZGISYXXKOJNQX-MRXNPFEDSA-N 1 0 318.465 3.137 10 0 DGAERO Cc1ccc(OCC[N@@H+](C)Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000110105708 431183457 /nfs/dbraw/zinc/18/34/57/431183457.db2.gz QPDMVILARJDHDX-UHFFFAOYSA-N 1 0 322.408 3.347 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)C1CCCC1 ZINC000184643503 279461074 /nfs/dbraw/zinc/46/10/74/279461074.db2.gz HYGUYALHFGIQRD-NSHDSACASA-N 1 0 303.431 3.403 10 0 DGAERO CCOc1ccc(CC(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000068906049 431150924 /nfs/dbraw/zinc/15/09/24/431150924.db2.gz XMXVKPBMFNXYCV-UHFFFAOYSA-N 1 0 318.461 3.009 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000111229464 431201025 /nfs/dbraw/zinc/20/10/25/431201025.db2.gz SVXYWSQYJYJNTC-QGZVFWFLSA-N 1 0 311.429 3.218 10 0 DGAERO C[C@@H](O)C1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000111286791 431207542 /nfs/dbraw/zinc/20/75/42/431207542.db2.gz KWBRHFWRHDGCOI-GFCCVEGCSA-N 1 0 317.351 3.177 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](Cc2cccnc2)CC1 ZINC000111307471 431210193 /nfs/dbraw/zinc/21/01/93/431210193.db2.gz ZAZFXVOQUKUPKU-UHFFFAOYSA-N 1 0 307.441 3.356 10 0 DGAERO C[NH+](C)CCc1nc2ccccc2c(Nc2ccc(O)cc2)n1 ZINC000001316759 431219236 /nfs/dbraw/zinc/21/92/36/431219236.db2.gz YIHNZMYIXLKMDT-UHFFFAOYSA-N 1 0 308.385 3.183 10 0 DGAERO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000070091152 431240222 /nfs/dbraw/zinc/24/02/22/431240222.db2.gz WWNGCYVOTAPULG-KGLIPLIRSA-N 1 0 302.447 3.166 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000070575665 431251484 /nfs/dbraw/zinc/25/14/84/431251484.db2.gz HFQXEEZDDFFWIC-MNOVXSKESA-N 1 0 303.793 3.344 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070575882 431251514 /nfs/dbraw/zinc/25/15/14/431251514.db2.gz QREWCWQJHMYXGG-JQWIXIFHSA-N 1 0 315.244 3.469 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000070575457 431253082 /nfs/dbraw/zinc/25/30/82/431253082.db2.gz ORHFVGOVIOHDRY-MNOVXSKESA-N 1 0 303.793 3.344 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000070557361 431253301 /nfs/dbraw/zinc/25/33/01/431253301.db2.gz OHUASINLDJUPTF-PWSUYJOCSA-N 1 0 322.206 3.484 10 0 DGAERO Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000112470308 431277947 /nfs/dbraw/zinc/27/79/47/431277947.db2.gz OYUNRECOMFPUOL-FUHWJXTLSA-N 1 0 317.477 3.428 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1cccnc1 ZINC000112534416 431282592 /nfs/dbraw/zinc/28/25/92/431282592.db2.gz BWTMTKMPBXJPLB-OAHLLOKOSA-N 1 0 309.413 3.449 10 0 DGAERO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000112549841 431282699 /nfs/dbraw/zinc/28/26/99/431282699.db2.gz YXIYNRMYJCBOKA-WMZOPIPTSA-N 1 0 308.429 3.113 10 0 DGAERO CCCCCOc1c(Br)cc(C[NH3+])cc1OC ZINC000004227566 431298151 /nfs/dbraw/zinc/29/81/51/431298151.db2.gz YRGUKLTTWZLNOS-UHFFFAOYSA-N 1 0 302.212 3.485 10 0 DGAERO C[C@H]1C[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112373794 431271134 /nfs/dbraw/zinc/27/11/34/431271134.db2.gz RUGVRDLIHBJQAS-JOYOIKCWSA-N 1 0 306.207 3.337 10 0 DGAERO Cn1ccnc1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000071273219 431275240 /nfs/dbraw/zinc/27/52/40/431275240.db2.gz CCNZLJUTTJRYFJ-UHFFFAOYSA-N 1 0 320.234 3.218 10 0 DGAERO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2nnc(C(C)C)n2C)cc1 ZINC000113263882 431340510 /nfs/dbraw/zinc/34/05/10/431340510.db2.gz QPZAQSHNOHMHQB-QGZVFWFLSA-N 1 0 312.461 3.454 10 0 DGAERO CC[C@@H](CC1CCCCC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000072564079 431340767 /nfs/dbraw/zinc/34/07/67/431340767.db2.gz LWXCYJCKOBPPKC-SFHVURJKSA-N 1 0 324.509 3.212 10 0 DGAERO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)N1CCC[C@H](C(F)(F)F)C1 ZINC000072693440 431346711 /nfs/dbraw/zinc/34/67/11/431346711.db2.gz FPQCGOMILKDNQA-MELADBBJSA-N 1 0 318.383 3.052 10 0 DGAERO CC(C)C1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000072717392 431348636 /nfs/dbraw/zinc/34/86/36/431348636.db2.gz PVGCUBFDENCZTC-AWEZNQCLSA-N 1 0 320.399 3.155 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000007816941 431364269 /nfs/dbraw/zinc/36/42/69/431364269.db2.gz LKECODNOBJRPBA-LBPRGKRZSA-N 1 0 308.834 3.434 10 0 DGAERO CC(C)Oc1cccc([C@H](C)NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000261637918 279730370 /nfs/dbraw/zinc/73/03/70/279730370.db2.gz DPGZTGPNFKSJOZ-WMLDXEAASA-N 1 0 318.461 3.429 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000074001976 431393706 /nfs/dbraw/zinc/39/37/06/431393706.db2.gz IVUUOUTWBIRMDL-IKGGRYGDSA-N 1 0 309.498 3.327 10 0 DGAERO CC1CCC(C)(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000074098887 431397152 /nfs/dbraw/zinc/39/71/52/431397152.db2.gz PLHYKJLYQZJBPE-IHNMNCEXSA-N 1 0 307.482 3.270 10 0 DGAERO CCC(CC)CN(CC)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075314928 431469145 /nfs/dbraw/zinc/46/91/45/431469145.db2.gz JETRWPAORDVSJK-ALOPSCKCSA-N 1 0 309.498 3.469 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](c1ncccc1C)C(C)C ZINC000115796932 431471889 /nfs/dbraw/zinc/47/18/89/431471889.db2.gz JTZXKOBUECMDIF-CVEARBPZSA-N 1 0 320.481 3.117 10 0 DGAERO CCC[C@@H](CC)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115812823 431475725 /nfs/dbraw/zinc/47/57/25/431475725.db2.gz HVUQYSPXJHGDDP-OAHLLOKOSA-N 1 0 309.429 3.265 10 0 DGAERO CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H](C)C(C)C ZINC000115844914 431476804 /nfs/dbraw/zinc/47/68/04/431476804.db2.gz ABAPOVXYQIFVBP-AWEZNQCLSA-N 1 0 323.456 3.463 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000116546202 431518547 /nfs/dbraw/zinc/51/85/47/431518547.db2.gz RXJMTKIUQZGKNN-JKSUJKDBSA-N 1 0 319.449 3.247 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)cc21 ZINC000116766132 431525804 /nfs/dbraw/zinc/52/58/04/431525804.db2.gz REHXQPFGUUPLTO-ZDUSSCGKSA-N 1 0 317.408 3.029 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000076149866 431530343 /nfs/dbraw/zinc/53/03/43/431530343.db2.gz HWJNRBAOUXXFAK-KGLIPLIRSA-N 1 0 306.475 3.143 10 0 DGAERO COc1cccc(C[NH3+])c1Oc1cc(-c2ccccc2)ncn1 ZINC000011849466 431485104 /nfs/dbraw/zinc/48/51/04/431485104.db2.gz DPDOHXVBIAXAHH-UHFFFAOYSA-N 1 0 307.353 3.403 10 0 DGAERO CC(C)[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1Cl ZINC000180167541 279914351 /nfs/dbraw/zinc/91/43/51/279914351.db2.gz LASGDMGVVCJHEF-BLLLJJGKSA-N 1 0 304.825 3.233 10 0 DGAERO C[C@@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000116189225 431491260 /nfs/dbraw/zinc/49/12/60/431491260.db2.gz GQCHWBGGEXUUBU-HNNXBMFYSA-N 1 0 318.436 3.406 10 0 DGAERO CCC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116242857 431496135 /nfs/dbraw/zinc/49/61/35/431496135.db2.gz QVCYPOGYWFYHSA-XYJFISCASA-N 1 0 317.477 3.235 10 0 DGAERO Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116252999 431496893 /nfs/dbraw/zinc/49/68/93/431496893.db2.gz XZCGJTVVHMYBRU-LPHOPBHVSA-N 1 0 323.440 3.030 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](CCc3c(F)cccc3Cl)C2)cn1 ZINC000116317091 431501945 /nfs/dbraw/zinc/50/19/45/431501945.db2.gz ZFUGXZLUEVELCQ-LBPRGKRZSA-N 1 0 307.800 3.245 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)C2)cn1 ZINC000116318484 431502266 /nfs/dbraw/zinc/50/22/66/431502266.db2.gz MESSROBTRVLZOU-LBPRGKRZSA-N 1 0 314.414 3.126 10 0 DGAERO CC(C)(CNC(=O)N1CCC[C@H]1c1ccco1)[NH+]1CCCCC1 ZINC000116414670 431508771 /nfs/dbraw/zinc/50/87/71/431508771.db2.gz MLVHHLCWPXKLOQ-HNNXBMFYSA-N 1 0 319.449 3.391 10 0 DGAERO C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)C(C)(C)C ZINC000116439628 431513085 /nfs/dbraw/zinc/51/30/85/431513085.db2.gz FPBRNPJKXFDOOT-GOEBONIOSA-N 1 0 321.465 3.493 10 0 DGAERO C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)C(C)(C)C ZINC000116439624 431513835 /nfs/dbraw/zinc/51/38/35/431513835.db2.gz FPBRNPJKXFDOOT-GDBMZVCRSA-N 1 0 321.465 3.493 10 0 DGAERO CCCn1cc(C[NH2+]C[C@@H](c2ccco2)N(CC)CC)cn1 ZINC000116915346 431537914 /nfs/dbraw/zinc/53/79/14/431537914.db2.gz UYJBBXLVPVRGOE-INIZCTEOSA-N 1 0 304.438 3.059 10 0 DGAERO CCCn1cc(C[NH2+]C[C@H](c2ccccc2)N(CC)CC)cn1 ZINC000116911990 431538007 /nfs/dbraw/zinc/53/80/07/431538007.db2.gz IMSIDYSOQAGEEY-LJQANCHMSA-N 1 0 314.477 3.466 10 0 DGAERO CCCn1cc(C[NH2+]C[C@@H](c2ccccc2)N(CC)CC)cn1 ZINC000116911987 431538084 /nfs/dbraw/zinc/53/80/84/431538084.db2.gz IMSIDYSOQAGEEY-IBGZPJMESA-N 1 0 314.477 3.466 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000076489012 431551728 /nfs/dbraw/zinc/55/17/28/431551728.db2.gz OSTNDNPLROQWAJ-DOMZBBRYSA-N 1 0 324.852 3.151 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cccc(F)c2F)[C@H](C)C1 ZINC000076478186 431552058 /nfs/dbraw/zinc/55/20/58/431552058.db2.gz DTRMAVVJLXDMSI-CJNGLKHVSA-N 1 0 324.415 3.086 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000249365146 280026567 /nfs/dbraw/zinc/02/65/67/280026567.db2.gz URDAUSSEHOHCII-JLSDUUJJSA-N 1 0 315.461 3.015 10 0 DGAERO CCOc1ccc(Br)cc1C[NH2+]CCCCCO ZINC000013727074 431565854 /nfs/dbraw/zinc/56/58/54/431565854.db2.gz JPFHHCPGRKLVDB-UHFFFAOYSA-N 1 0 316.239 3.100 10 0 DGAERO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186769258 280128911 /nfs/dbraw/zinc/12/89/11/280128911.db2.gz AKFVCWSQTYVFPD-HUUCEWRRSA-N 1 0 318.461 3.231 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000077455711 431598012 /nfs/dbraw/zinc/59/80/12/431598012.db2.gz ZRAZJCFQKBSMTI-GOSISDBHSA-N 1 0 319.424 3.493 10 0 DGAERO CN(Cc1coc(-c2ccc(F)cc2)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842146 431621579 /nfs/dbraw/zinc/62/15/79/431621579.db2.gz TYLPSCVGEIAAKD-AWEZNQCLSA-N 1 0 317.408 3.254 10 0 DGAERO CC(C)c1ccc(NC(=O)CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000118842515 431621751 /nfs/dbraw/zinc/62/17/51/431621751.db2.gz LNRXYCBRZOKOCB-MRXNPFEDSA-N 1 0 317.477 3.022 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)cc1F ZINC000119087232 431643712 /nfs/dbraw/zinc/64/37/12/431643712.db2.gz QHWKIBLOUISQIV-HNNXBMFYSA-N 1 0 314.404 3.443 10 0 DGAERO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1F ZINC000119474158 431695097 /nfs/dbraw/zinc/69/50/97/431695097.db2.gz QHTGURQPDSLUFU-LLVKDONJSA-N 1 0 310.800 3.002 10 0 DGAERO CCn1c(C)cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1C ZINC000119527518 431703319 /nfs/dbraw/zinc/70/33/19/431703319.db2.gz MWXFEXQOESIIDD-GOSISDBHSA-N 1 0 313.445 3.158 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H](C)c1ccccc1 ZINC000079495378 431725314 /nfs/dbraw/zinc/72/53/14/431725314.db2.gz FBAVEWWXXHYFAP-NVXWUHKLSA-N 1 0 305.466 3.365 10 0 DGAERO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCC1CCOCC1)c1ccccc1 ZINC000120469407 431727585 /nfs/dbraw/zinc/72/75/85/431727585.db2.gz FFYIMLQQHKIVPI-HZPDHXFCSA-N 1 0 318.461 3.001 10 0 DGAERO Cc1ccc(CCCC(=O)NCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000079531290 431728485 /nfs/dbraw/zinc/72/84/85/431728485.db2.gz WVDZZRCOBSKZCK-AWEZNQCLSA-N 1 0 308.491 3.370 10 0 DGAERO C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000079822318 431747633 /nfs/dbraw/zinc/74/76/33/431747633.db2.gz KTPLVETXFNUNLT-OAHLLOKOSA-N 1 0 318.436 3.091 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000079982246 431757333 /nfs/dbraw/zinc/75/73/33/431757333.db2.gz LTPLDKAMLJVWRX-KBPBESRZSA-N 1 0 309.429 3.258 10 0 DGAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cc(Cl)ccc1Cl ZINC000121260505 431762818 /nfs/dbraw/zinc/76/28/18/431762818.db2.gz WHORRGQSGCMXOS-SECBINFHSA-N 1 0 316.232 3.187 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000121488347 431791854 /nfs/dbraw/zinc/79/18/54/431791854.db2.gz VAVVBELVBQTCCS-OAHLLOKOSA-N 1 0 324.415 3.088 10 0 DGAERO C[C@H](CNC(=O)C/C=C/c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000081595556 431795311 /nfs/dbraw/zinc/79/53/11/431795311.db2.gz SRWSWVWSOBJMKH-QDLOVBKTSA-N 1 0 318.436 3.466 10 0 DGAERO Cc1cc2cc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)oc2cc1C ZINC000261871209 280691782 /nfs/dbraw/zinc/69/17/82/280691782.db2.gz ODQIMNMUWJYWOH-INIZCTEOSA-N 1 0 300.402 3.249 10 0 DGAERO OC1(C[NH2+]Cc2ccc(Br)c(F)c2)CCCCC1 ZINC000083477181 431809850 /nfs/dbraw/zinc/80/98/50/431809850.db2.gz PIMKXPJNJUQAST-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO c1cnn(CC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1 ZINC000122066352 431809985 /nfs/dbraw/zinc/80/99/85/431809985.db2.gz UMIVTHBDUCWGEI-UHFFFAOYSA-N 1 0 321.428 3.185 10 0 DGAERO C[C@H](O)C1CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000084075752 431814349 /nfs/dbraw/zinc/81/43/49/431814349.db2.gz KANCPWMPLFPPOV-ZDUSSCGKSA-N 1 0 322.474 3.053 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095540 431782939 /nfs/dbraw/zinc/78/29/39/431782939.db2.gz MXLVIVNATDGOCG-KDOFPFPSSA-N 1 0 312.461 3.100 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCCC3)[C@H](C)C1 ZINC000122632827 431840350 /nfs/dbraw/zinc/84/03/50/431840350.db2.gz WRABJKXYFAPBHD-BEFAXECRSA-N 1 0 314.473 3.368 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccccc2F)CC[N@@H+]1C ZINC000122703853 431843134 /nfs/dbraw/zinc/84/31/34/431843134.db2.gz SCTSPTOOMLJWPU-KGLIPLIRSA-N 1 0 306.425 3.044 10 0 DGAERO CCCC[C@H](CC)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037219385 431844663 /nfs/dbraw/zinc/84/46/63/431844663.db2.gz FMSIVFQDXZABEZ-KGLIPLIRSA-N 1 0 312.479 3.201 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3ccccc3)CCCC2)CC[N@@H+]1C ZINC000122876607 431846762 /nfs/dbraw/zinc/84/67/62/431846762.db2.gz OCWGZJLRJMAKBQ-AEFFLSMTSA-N 1 0 314.473 3.440 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CC3)CC2)cc1F ZINC000087032686 431848471 /nfs/dbraw/zinc/84/84/71/431848471.db2.gz FBICDNNRHFQURI-ZDUSSCGKSA-N 1 0 319.424 3.121 10 0 DGAERO C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000122944604 431849393 /nfs/dbraw/zinc/84/93/93/431849393.db2.gz BCQJGBZJAZXHFS-CKEIUWERSA-N 1 0 306.425 3.260 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000087087183 431849563 /nfs/dbraw/zinc/84/95/63/431849563.db2.gz DMAYVNWLRFFNKI-KBPBESRZSA-N 1 0 309.429 3.225 10 0 DGAERO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000037847921 431850421 /nfs/dbraw/zinc/85/04/21/431850421.db2.gz KIYFKCAABLJBJT-XOKHGSTOSA-N 1 0 311.853 3.386 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCC([NH3+])CC1 ZINC000037799195 431850495 /nfs/dbraw/zinc/85/04/95/431850495.db2.gz BTRRTCXRXOUNOS-UHFFFAOYSA-N 1 0 315.244 3.469 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000087133750 431850926 /nfs/dbraw/zinc/85/09/26/431850926.db2.gz KQYDTRSGQFTAGH-UONOGXRCSA-N 1 0 309.429 3.225 10 0 DGAERO CO[C@]1(C[NH2+]Cc2ccc(-c3ccccc3)s2)CCOC1 ZINC000122975076 431851077 /nfs/dbraw/zinc/85/10/77/431851077.db2.gz CAXIVKGAYSBTTP-KRWDZBQOSA-N 1 0 303.427 3.310 10 0 DGAERO Brc1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916204 431851399 /nfs/dbraw/zinc/85/13/99/431851399.db2.gz WBHQONHIBCSBPY-HOCLYGCPSA-N 1 0 323.278 3.413 10 0 DGAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccs2)c(C)c1 ZINC000037890201 431851787 /nfs/dbraw/zinc/85/17/87/431851787.db2.gz ADUSENXGVJRSCH-LSDHHAIUSA-N 1 0 305.443 3.455 10 0 DGAERO Fc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1Br ZINC000037988731 431852673 /nfs/dbraw/zinc/85/26/73/431852673.db2.gz WWBPIQJHHDMIAU-LLVKDONJSA-N 1 0 302.187 3.247 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000087283144 431852850 /nfs/dbraw/zinc/85/28/50/431852850.db2.gz LCDAKIAIDFPNSF-IMJJTQAJSA-N 1 0 321.440 3.367 10 0 DGAERO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000038012548 431853136 /nfs/dbraw/zinc/85/31/36/431853136.db2.gz JWADFZFWTRVTGS-WDEREUQCSA-N 1 0 313.239 3.014 10 0 DGAERO CCc1ccc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1F ZINC000123730847 431873423 /nfs/dbraw/zinc/87/34/23/431873423.db2.gz PFRACEDOPFZNDQ-QGZVFWFLSA-N 1 0 322.424 3.120 10 0 DGAERO Cc1ccc(C)c(SCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123085436 431854151 /nfs/dbraw/zinc/85/41/51/431854151.db2.gz SVTCHRFOQKIWCQ-CVEARBPZSA-N 1 0 320.502 3.337 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1nc(Cl)ccc1Cl ZINC000038103312 431854720 /nfs/dbraw/zinc/85/47/20/431854720.db2.gz NTNWJTMCTKUIPJ-JTQLQIEISA-N 1 0 318.248 3.095 10 0 DGAERO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)s1 ZINC000088564021 431858640 /nfs/dbraw/zinc/85/86/40/431858640.db2.gz UAZAJEJKPYMJAI-UHFFFAOYSA-N 1 0 307.419 3.245 10 0 DGAERO O[C@H]1CCC[C@H]1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000089160311 431860469 /nfs/dbraw/zinc/86/04/69/431860469.db2.gz LVFJJTKREKVYTO-QTISTPMNSA-N 1 0 324.262 3.446 10 0 DGAERO Cc1nn(C)c(C[NH2+][C@H]2CCC[C@@H](C)C2)c1Br ZINC000089231811 431861917 /nfs/dbraw/zinc/86/19/17/431861917.db2.gz GCCFHIIZGSHODX-KOLCDFICSA-N 1 0 300.244 3.159 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C)cc2SC)C1 ZINC000123361929 431862676 /nfs/dbraw/zinc/86/26/76/431862676.db2.gz DGJILUULTZMPKR-OAHLLOKOSA-N 1 0 321.490 3.000 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CCCC3)CC[N@@H+]1C ZINC000123402555 431864050 /nfs/dbraw/zinc/86/40/50/431864050.db2.gz XWHQWQUOMANUJW-JSGCOSHPSA-N 1 0 306.475 3.182 10 0 DGAERO CC[C@@H]([NH2+]CCc1nc(C)no1)c1ccccc1OC(F)F ZINC000089517699 431868561 /nfs/dbraw/zinc/86/85/61/431868561.db2.gz NVXWYFPRAWMNAG-GFCCVEGCSA-N 1 0 311.332 3.263 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2ccccc2Br)n1 ZINC000089518317 431869065 /nfs/dbraw/zinc/86/90/65/431869065.db2.gz XKTFSOZGQIEWLS-SECBINFHSA-N 1 0 310.195 3.034 10 0 DGAERO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1cc(F)cc(F)c1 ZINC000089641481 431873912 /nfs/dbraw/zinc/87/39/12/431873912.db2.gz XDVUUBVUZOSBDW-NSHDSACASA-N 1 0 324.396 3.497 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)c1scnc1C1CC1)c1cccs1 ZINC000089596447 431871425 /nfs/dbraw/zinc/87/14/25/431871425.db2.gz MZXSRQZVFLDNMQ-LLVKDONJSA-N 1 0 321.471 3.115 10 0 DGAERO OC1([C@H](CN2CC[NH2+]CC2)c2cccc(Cl)c2)CCCCC1 ZINC000034525607 431820393 /nfs/dbraw/zinc/82/03/93/431820393.db2.gz PZQVDLYPNAADGQ-QGZVFWFLSA-N 1 0 322.880 3.024 10 0 in-vitro DGAERO Cc1ccc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c(Br)c1 ZINC000164120134 280814069 /nfs/dbraw/zinc/81/40/69/280814069.db2.gz GFTPAUPFHVAWSO-DOMZBBRYSA-N 1 0 311.267 3.317 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000122308007 431825691 /nfs/dbraw/zinc/82/56/91/431825691.db2.gz MJKLQMCSDFWHOG-ABAIWWIYSA-N 1 0 312.816 3.281 10 0 DGAERO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000122353874 431830082 /nfs/dbraw/zinc/83/00/82/431830082.db2.gz MLPYVEYHMQBQHR-HOCLYGCPSA-N 1 0 306.475 3.158 10 0 DGAERO C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000085290402 431838379 /nfs/dbraw/zinc/83/83/79/431838379.db2.gz ATOZEDOGZUCOBM-PSKZRQQASA-N 1 0 306.425 3.322 10 0 DGAERO CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H](C)c1cccnc1 ZINC000085367107 431839134 /nfs/dbraw/zinc/83/91/34/431839134.db2.gz XBZNMXVUMCHACM-HUUCEWRRSA-N 1 0 320.481 3.150 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000092708493 431910919 /nfs/dbraw/zinc/91/09/19/431910919.db2.gz AWHHSPUPRZBXST-ZVVFDCPKSA-N 1 0 304.409 3.220 10 0 DGAERO CCc1nn(C)c(CC)c1C[N@H+](C)CCc1ccccc1OC ZINC000093105394 431913056 /nfs/dbraw/zinc/91/30/56/431913056.db2.gz PQTKNCUFPNZVIV-UHFFFAOYSA-N 1 0 315.461 3.228 10 0 DGAERO C[C@@H](CCCO)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000094942604 431920431 /nfs/dbraw/zinc/92/04/31/431920431.db2.gz JHSYKMQOUXHUCV-STQMWFEESA-N 1 0 301.377 3.360 10 0 DGAERO CCc1cc(N2CC[C@](O)(C(F)(F)F)C2)c2ccccc2[nH+]1 ZINC000125435375 431924819 /nfs/dbraw/zinc/92/48/19/431924819.db2.gz UCBOUARRWXEMTR-OAHLLOKOSA-N 1 0 310.319 3.301 10 0 DGAERO [NH3+]C[C@H]1CCCCN1CCOc1c(Cl)cccc1Cl ZINC000044557393 431875610 /nfs/dbraw/zinc/87/56/10/431875610.db2.gz WTOHPVWBRRAARP-LLVKDONJSA-N 1 0 303.233 3.185 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000123861405 431876998 /nfs/dbraw/zinc/87/69/98/431876998.db2.gz DPUPMNHHJTXWJX-GHMZBOCLSA-N 1 0 317.296 3.425 10 0 DGAERO CN1CC[C@@H]([NH2+]CC2=CCCOC2)[C@@H]1c1ccc(Cl)cc1 ZINC000089808529 431880769 /nfs/dbraw/zinc/88/07/69/431880769.db2.gz LQBKOOPZSRWXRQ-SJORKVTESA-N 1 0 306.837 3.022 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cccc3)cc2)CC[N@@H+]1C ZINC000124172411 431885476 /nfs/dbraw/zinc/88/54/76/431885476.db2.gz TWOAXIHTZHVRLM-YJBOKZPZSA-N 1 0 311.429 3.032 10 0 DGAERO CC(C)C1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000090230505 431890592 /nfs/dbraw/zinc/89/05/92/431890592.db2.gz BEARQMSFFMBGAK-AWEZNQCLSA-N 1 0 324.490 3.024 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000124329369 431890816 /nfs/dbraw/zinc/89/08/16/431890816.db2.gz FSJPYLPYPYWALP-MRXNPFEDSA-N 1 0 321.428 3.226 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)CCSc2ccccc2F)CC[N@@H+]1C ZINC000124433944 431893538 /nfs/dbraw/zinc/89/35/38/431893538.db2.gz OVEYYLJDCVZMQD-KGLIPLIRSA-N 1 0 324.465 3.249 10 0 DGAERO Cc1ccc(SCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124496318 431895366 /nfs/dbraw/zinc/89/53/66/431895366.db2.gz FDNGBRROWGXZOV-HUUCEWRRSA-N 1 0 306.475 3.028 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000124515853 431896171 /nfs/dbraw/zinc/89/61/71/431896171.db2.gz JZNISBORSLVAFR-VXGBXAGGSA-N 1 0 314.351 3.260 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(N(C)C)n1)CCCO2 ZINC000090852281 431896999 /nfs/dbraw/zinc/89/69/99/431896999.db2.gz BZGMRSSWUYFCRC-KRWDZBQOSA-N 1 0 311.429 3.460 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(F)cc1Br ZINC000090940249 431898792 /nfs/dbraw/zinc/89/87/92/431898792.db2.gz SLQYTUQZULQZIZ-RWEMILLDSA-N 1 0 302.187 3.416 10 0 DGAERO CCn1cnnc1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000124661504 431900815 /nfs/dbraw/zinc/90/08/15/431900815.db2.gz IDDLGGONKQVUQA-UHFFFAOYSA-N 1 0 321.428 3.226 10 0 DGAERO COC(=O)CC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000091100384 431902890 /nfs/dbraw/zinc/90/28/90/431902890.db2.gz NCZPTAPBHLLGNK-UHFFFAOYSA-N 1 0 315.335 3.448 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000124781935 431904049 /nfs/dbraw/zinc/90/40/49/431904049.db2.gz SCFFVLLHMXHNDQ-ZFWWWQNUSA-N 1 0 308.853 3.214 10 0 DGAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3nccs3)CC2)nc1 ZINC000091727819 431905335 /nfs/dbraw/zinc/90/53/35/431905335.db2.gz YFMCLTPCPOTWKQ-ZDUSSCGKSA-N 1 0 302.447 3.166 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000124812694 431905474 /nfs/dbraw/zinc/90/54/74/431905474.db2.gz NEFSOJWZVDWZEG-SMDDNHRTSA-N 1 0 314.351 3.260 10 0 DGAERO Fc1cc(C[NH2+]C[C@H]2CCCCO2)ccc1Br ZINC000127422310 431971489 /nfs/dbraw/zinc/97/14/89/431971489.db2.gz SGMZGSUKMZRRMQ-LLVKDONJSA-N 1 0 302.187 3.247 10 0 DGAERO C[N@@H+]1CCCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000097617894 431972457 /nfs/dbraw/zinc/97/24/57/431972457.db2.gz APIPDILTAUQNEX-UHFFFAOYSA-N 1 0 308.425 3.055 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127512211 431974464 /nfs/dbraw/zinc/97/44/64/431974464.db2.gz WLOHBJIMNKEQKQ-HNNXBMFYSA-N 1 0 307.409 3.091 10 0 DGAERO C[C@H]1C[C@H](NC(=O)CCCc2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000127584542 431975669 /nfs/dbraw/zinc/97/56/69/431975669.db2.gz SJQZLGRXZJOPOG-JSGCOSHPSA-N 1 0 322.399 3.029 10 0 DGAERO C[C@@H]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000098032529 431975953 /nfs/dbraw/zinc/97/59/53/431975953.db2.gz JUEJKZHUPVWPJW-CVEARBPZSA-N 1 0 307.482 3.083 10 0 DGAERO Fc1ccc(C[N@@H+](Cc2ccncc2)C[C@@H]2CCCO2)cc1 ZINC000055073370 431976182 /nfs/dbraw/zinc/97/61/82/431976182.db2.gz SNFCPCRQFGSAMY-SFHVURJKSA-N 1 0 300.377 3.402 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127716882 431979450 /nfs/dbraw/zinc/97/94/50/431979450.db2.gz QIBULLDWAODBRB-AWEZNQCLSA-N 1 0 323.506 3.361 10 0 DGAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000095944478 431927080 /nfs/dbraw/zinc/92/70/80/431927080.db2.gz GJPDRAYPGFFTGY-MSOLQXFVSA-N 1 0 313.372 3.214 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Cl)cc1Cl ZINC000125649180 431931586 /nfs/dbraw/zinc/93/15/86/431931586.db2.gz NHQHKECVPHMXCY-XHDPSFHLSA-N 1 0 318.244 3.433 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccccc1C(F)(F)F ZINC000125646014 431932239 /nfs/dbraw/zinc/93/22/39/431932239.db2.gz JYRLBPUOHYIZCJ-IUODEOHRSA-N 1 0 317.351 3.145 10 0 DGAERO CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@]1(CCO)CCOC1 ZINC000125735431 431934541 /nfs/dbraw/zinc/93/45/41/431934541.db2.gz QVACDXORSQQAIH-OALUTQOASA-N 1 0 305.462 3.023 10 0 DGAERO CN(C)c1ccccc1CN1CCO[C@H](c2ccsc2)C1 ZINC000125918228 431938097 /nfs/dbraw/zinc/93/80/97/431938097.db2.gz RAAZIIDJTIDFNX-KRWDZBQOSA-N 1 0 302.443 3.388 10 0 DGAERO COc1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1F ZINC000125933487 431938866 /nfs/dbraw/zinc/93/88/66/431938866.db2.gz XDNJZQIOJQGSGI-INIZCTEOSA-N 1 0 307.390 3.469 10 0 DGAERO CCOc1c(Br)cc(C[N@H+](C)CC)cc1OC ZINC000126255799 431946220 /nfs/dbraw/zinc/94/62/20/431946220.db2.gz VWMPJXLZNHUYLP-UHFFFAOYSA-N 1 0 302.212 3.308 10 0 DGAERO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NCc1ccco1 ZINC000050273469 431947700 /nfs/dbraw/zinc/94/77/00/431947700.db2.gz UCEKDOPVCZOHPI-QGZVFWFLSA-N 1 0 318.804 3.290 10 0 DGAERO C[C@@H]([NH2+]CCCn1ccnn1)c1cc(F)c(Cl)cc1Cl ZINC000126542148 431952172 /nfs/dbraw/zinc/95/21/72/431952172.db2.gz VDZKQXHTIQKNJZ-SECBINFHSA-N 1 0 317.195 3.465 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000052499093 431956410 /nfs/dbraw/zinc/95/64/10/431956410.db2.gz KKVYJOKMZOBRNY-SWLSCSKDSA-N 1 0 309.841 3.185 10 0 DGAERO C[NH2+][C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000053203800 431961506 /nfs/dbraw/zinc/96/15/06/431961506.db2.gz MFGDINCZLUTOHL-LLVKDONJSA-N 1 0 303.233 3.056 10 0 DGAERO CCc1noc(C)c1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000127033574 431962651 /nfs/dbraw/zinc/96/26/51/431962651.db2.gz ZHGPWTXKJIHPMW-ZDUSSCGKSA-N 1 0 305.422 3.139 10 0 DGAERO C[N@@H+](Cc1csc(Br)c1)C[C@H]1CCC[C@@H]1O ZINC000053923740 431966089 /nfs/dbraw/zinc/96/60/89/431966089.db2.gz NAGGKCIENNMOKR-MNOVXSKESA-N 1 0 304.253 3.103 10 0 DGAERO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC2=CCCOC2)C3)cc1 ZINC000127201769 431967107 /nfs/dbraw/zinc/96/71/07/431967107.db2.gz KDQWDTXQQWCJQT-IHWFROFDSA-N 1 0 312.457 3.118 10 0 DGAERO CC(C)C[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC(C)C ZINC000097489718 431969574 /nfs/dbraw/zinc/96/95/74/431969574.db2.gz WGZMDAGCUYOLND-CQSZACIVSA-N 1 0 322.415 3.401 10 0 DGAERO OC1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CCC1 ZINC000127355654 431970049 /nfs/dbraw/zinc/97/00/49/431970049.db2.gz OVTAZZQCCDSFMI-UHFFFAOYSA-N 1 0 310.235 3.200 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000054322190 431970082 /nfs/dbraw/zinc/97/00/82/431970082.db2.gz ONRGCYGXHAZHEI-IXDOHACOSA-N 1 0 324.509 3.016 10 0 DGAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127360944 431970148 /nfs/dbraw/zinc/97/01/48/431970148.db2.gz DJNCGMYCPBTXJL-LBPRGKRZSA-N 1 0 315.230 3.162 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@@H]1CCOC1 ZINC000127333508 431970207 /nfs/dbraw/zinc/97/02/07/431970207.db2.gz CWBAHFSFHWIEAZ-GXSJLCMTSA-N 1 0 302.187 3.103 10 0 DGAERO COC(=O)c1cc(C[NH+]2CCC(OCC(C)C)CC2)oc1C ZINC000097504743 431970506 /nfs/dbraw/zinc/97/05/06/431970506.db2.gz YSGPKAOFPPAIHX-UHFFFAOYSA-N 1 0 309.406 3.012 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000127884588 431982928 /nfs/dbraw/zinc/98/29/28/431982928.db2.gz HFVSVZHWFIXGKJ-DOMZBBRYSA-N 1 0 313.445 3.339 10 0 DGAERO CCOc1cc(C[N@H+](C)C[C@H]2CCCO2)cc(Cl)c1OC ZINC000127977941 431985293 /nfs/dbraw/zinc/98/52/93/431985293.db2.gz BODQCXRSIFCFAH-CYBMUJFWSA-N 1 0 313.825 3.358 10 0 DGAERO Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000127990461 431985324 /nfs/dbraw/zinc/98/53/24/431985324.db2.gz IIKHFJMNGFFFLF-IAGOWNOFSA-N 1 0 310.445 3.447 10 0 DGAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCc2ccccc2)CC1 ZINC000101549580 431985635 /nfs/dbraw/zinc/98/56/35/431985635.db2.gz IGNNAFRJKHRPOX-INIZCTEOSA-N 1 0 302.462 3.102 10 0 DGAERO CCC1(CO)CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000128171160 431988658 /nfs/dbraw/zinc/98/86/58/431988658.db2.gz LTBTVICMFDDCIR-CQSZACIVSA-N 1 0 315.417 3.282 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(s1)CCCC2 ZINC000175038093 281191258 /nfs/dbraw/zinc/19/12/58/281191258.db2.gz MGIWNVUKCGLUOY-LSDHHAIUSA-N 1 0 318.486 3.326 10 0 DGAERO Cc1cccc2[nH]cc(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c21 ZINC000103432229 281263558 /nfs/dbraw/zinc/26/35/58/281263558.db2.gz YDFMREKXLBRWNA-INIZCTEOSA-N 1 0 315.461 3.111 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(C)nc2scc(C)c21 ZINC000126403703 288313893 /nfs/dbraw/zinc/31/38/93/288313893.db2.gz FMTDKGHHRQQTDD-UONOGXRCSA-N 1 0 316.474 3.371 10 0 DGAERO c1cnn(CCCCC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128318479 431992220 /nfs/dbraw/zinc/99/22/20/431992220.db2.gz ICIPTBVHEHXEFE-IAGOWNOFSA-N 1 0 301.438 3.023 10 0 DGAERO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000183205365 432269518 /nfs/dbraw/zinc/26/95/18/432269518.db2.gz MZKOBMOXKPOWEW-HIFRSBDPSA-N 1 0 321.490 3.087 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCSc3ccc(OC)cc32)C1 ZINC000191499730 432270571 /nfs/dbraw/zinc/27/05/71/432270571.db2.gz TUOIQSMVWWKFSD-CZUORRHYSA-N 1 0 306.475 3.306 10 0 DGAERO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCCO3)co2)cc1 ZINC000183234428 432273070 /nfs/dbraw/zinc/27/30/70/432273070.db2.gz GFKUAHYGYHQZAW-SUMWQHHRSA-N 1 0 316.401 3.397 10 0 DGAERO CSC[C@](C)(O)C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000248170566 432273599 /nfs/dbraw/zinc/27/35/99/432273599.db2.gz URJSNYNCAIGLEV-HWWQOWPSSA-N 1 0 324.515 3.492 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCCc3cccs3)CC[C@H]21 ZINC000248183702 432275087 /nfs/dbraw/zinc/27/50/87/432275087.db2.gz WXNNQFNLZTYBBJ-GDBMZVCRSA-N 1 0 306.475 3.014 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000248175573 432275130 /nfs/dbraw/zinc/27/51/30/432275130.db2.gz VNZBPRFHYWTBLX-SJLPKXTDSA-N 1 0 313.445 3.123 10 0 DGAERO CCOC(=O)c1csc(C2CC[NH+](C3CCCC3)CC2)n1 ZINC000191568619 432277084 /nfs/dbraw/zinc/27/70/84/432277084.db2.gz YZTIIAKZGDXYBE-UHFFFAOYSA-N 1 0 308.447 3.442 10 0 DGAERO CC(C)C[C@H](C)OCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000151841931 432281194 /nfs/dbraw/zinc/28/11/94/432281194.db2.gz KPKAFXFTXIQHOT-WMZOPIPTSA-N 1 0 320.477 3.247 10 0 DGAERO COC(=O)COc1ccccc1[C@H](C)[NH2+]CCc1ccsc1 ZINC000183325635 432281831 /nfs/dbraw/zinc/28/18/31/432281831.db2.gz LRGKQVRLGBDFJM-ZDUSSCGKSA-N 1 0 319.426 3.193 10 0 DGAERO C[C@@H]1CCN(C(=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000173508404 432281898 /nfs/dbraw/zinc/28/18/98/432281898.db2.gz HNHRAZZKOSEOPM-GOSISDBHSA-N 1 0 322.452 3.352 10 0 DGAERO C[C@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248388875 432283582 /nfs/dbraw/zinc/28/35/82/432283582.db2.gz AHWVKZJUAMFKPE-QZWWFDLISA-N 1 0 321.509 3.469 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1scnc1C1CCCC1 ZINC000248430808 432290736 /nfs/dbraw/zinc/29/07/36/432290736.db2.gz SKTLDMQODFYLDF-JSGCOSHPSA-N 1 0 319.474 3.109 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1scnc1C1CCCC1 ZINC000248430810 432290788 /nfs/dbraw/zinc/29/07/88/432290788.db2.gz SKTLDMQODFYLDF-OCCSQVGLSA-N 1 0 319.474 3.109 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000248437481 432290952 /nfs/dbraw/zinc/29/09/52/432290952.db2.gz HBSJJPPVYAQMSW-SUNYJGFJSA-N 1 0 303.450 3.024 10 0 DGAERO C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]2CCCC[C@H]21 ZINC000248441096 432292075 /nfs/dbraw/zinc/29/20/75/432292075.db2.gz UYBKCUNPANAFGI-ZTJXHEDMSA-N 1 0 321.509 3.327 10 0 DGAERO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000248442839 432292453 /nfs/dbraw/zinc/29/24/53/432292453.db2.gz VOECSDGDQAEIAE-HOTGVXAUSA-N 1 0 321.465 3.152 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000183460129 432295551 /nfs/dbraw/zinc/29/55/51/432295551.db2.gz ONLZELZNDIRNDQ-UHFFFAOYSA-N 1 0 323.440 3.243 10 0 DGAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000248474016 432296464 /nfs/dbraw/zinc/29/64/64/432296464.db2.gz WYNXKKPMNVFGDP-HUUCEWRRSA-N 1 0 323.433 3.289 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)C2CCCC2)CC[N@@H+]1C ZINC000152024791 432297944 /nfs/dbraw/zinc/29/79/44/432297944.db2.gz ZUNQGNBUXZFSSV-GDBMZVCRSA-N 1 0 309.498 3.327 10 0 DGAERO CCOc1cccc([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)c1 ZINC000183544183 432301682 /nfs/dbraw/zinc/30/16/82/432301682.db2.gz MBCMXNXGHABGMS-CYBMUJFWSA-N 1 0 313.401 3.037 10 0 DGAERO COc1ccc2oc(C[N@@H+]3CC[C@H](c4cnn(C)c4)C3)cc2c1 ZINC000128552604 431996619 /nfs/dbraw/zinc/99/66/19/431996619.db2.gz UMFRTALTJUGJFM-ZDUSSCGKSA-N 1 0 311.385 3.164 10 0 DGAERO Fc1ccccc1OCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128557473 431996669 /nfs/dbraw/zinc/99/66/69/431996669.db2.gz CFMXNYCAFSCOMR-CVEARBPZSA-N 1 0 303.381 3.175 10 0 DGAERO COc1ccccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000102694716 431996927 /nfs/dbraw/zinc/99/69/27/431996927.db2.gz DXOOFVSXFOAKNZ-UHFFFAOYSA-N 1 0 322.412 3.118 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000102683536 431997411 /nfs/dbraw/zinc/99/74/11/431997411.db2.gz BVVPCPNDKFLANW-INIZCTEOSA-N 1 0 308.425 3.231 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)nc2ccccc12 ZINC000128655914 431997695 /nfs/dbraw/zinc/99/76/95/431997695.db2.gz NMGWRGDITDOXHA-ZWKOTPCHSA-N 1 0 321.428 3.408 10 0 DGAERO c1cnn([C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(-c3ccccc3)o2)c1 ZINC000128679669 431998779 /nfs/dbraw/zinc/99/87/79/431998779.db2.gz OYHRYOSATIUMJJ-HZPDHXFCSA-N 1 0 323.400 3.207 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc3ccccc32)C1 ZINC000060565095 432000161 /nfs/dbraw/zinc/00/01/61/432000161.db2.gz QNEDOJSXZJPCQA-KRWDZBQOSA-N 1 0 311.429 3.123 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000102888841 432000175 /nfs/dbraw/zinc/00/01/75/432000175.db2.gz GHSOESXSXIJDOI-OAHLLOKOSA-N 1 0 322.330 3.137 10 0 DGAERO Fc1cccc(-c2nc(CN3CCC[N@@H+](C4CC4)CC3)co2)c1 ZINC000061041225 432001227 /nfs/dbraw/zinc/00/12/27/432001227.db2.gz DREOCXHHNGUJRR-UHFFFAOYSA-N 1 0 315.392 3.151 10 0 DGAERO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc2c(c1)CCO2 ZINC000248003085 432261229 /nfs/dbraw/zinc/26/12/29/432261229.db2.gz KOZZEJFWMHFKMB-CWLKWCNXSA-N 1 0 301.430 3.476 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1SCCc2ccccc21 ZINC000173833448 432302934 /nfs/dbraw/zinc/30/29/34/432302934.db2.gz XGICXXXPCMPSLC-WBVHZDCISA-N 1 0 320.502 3.110 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2cccs2)[C@H]1c1ccccc1 ZINC000248041945 432264154 /nfs/dbraw/zinc/26/41/54/432264154.db2.gz MFDUSAZSRHVTKF-JBMMNVDBSA-N 1 0 312.438 3.323 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)CCc2cccs2)[C@H]1c1ccccc1 ZINC000248067274 432265331 /nfs/dbraw/zinc/26/53/31/432265331.db2.gz PXYNTXWQRPVWJQ-FUHWJXTLSA-N 1 0 314.454 3.242 10 0 DGAERO CCCCC[C@@H](C)CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000173252672 432266555 /nfs/dbraw/zinc/26/65/55/432266555.db2.gz JMLNYWJZDWXPER-IAGOWNOFSA-N 1 0 324.509 3.305 10 0 DGAERO CC[NH+](CC)CCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000173262717 432268674 /nfs/dbraw/zinc/26/86/74/432268674.db2.gz RSIRDYIPKBAANV-OAHLLOKOSA-N 1 0 307.438 3.166 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000248742285 432316887 /nfs/dbraw/zinc/31/68/87/432316887.db2.gz RHYZNMRZJJXFCL-FUHIMQAGSA-N 1 0 324.472 3.346 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000248761742 432317380 /nfs/dbraw/zinc/31/73/80/432317380.db2.gz YHKJZEVSEFBDRO-NSHDSACASA-N 1 0 319.396 3.140 10 0 DGAERO [NH3+]CCCCCCC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000152251547 432317452 /nfs/dbraw/zinc/31/74/52/432317452.db2.gz QOIRDGRYTUEDTH-QGZVFWFLSA-N 1 0 306.425 3.268 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000152250976 432317517 /nfs/dbraw/zinc/31/75/17/432317517.db2.gz WJQAETLYTMSWKZ-SFHVURJKSA-N 1 0 319.424 3.493 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248814103 432321109 /nfs/dbraw/zinc/32/11/09/432321109.db2.gz KTXXFFZPHAEDIX-UYHISHBKSA-N 1 0 302.418 3.253 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2CCOc2ccc(Cl)c(F)c2)cn1 ZINC000191991973 432321590 /nfs/dbraw/zinc/32/15/90/432321590.db2.gz GAUCORZUKOUPLF-INIZCTEOSA-N 1 0 323.799 3.429 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1(c2ccccc2F)CC1 ZINC000152296073 432321886 /nfs/dbraw/zinc/32/18/86/432321886.db2.gz CHNIKXHBWRLGRH-AWEZNQCLSA-N 1 0 321.440 3.090 10 0 DGAERO CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)C1 ZINC000248830043 432322998 /nfs/dbraw/zinc/32/29/98/432322998.db2.gz HVOGGRLJMZWWPR-QXSJWSMHSA-N 1 0 307.438 3.356 10 0 DGAERO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(CCC3)C(=O)O2)o1 ZINC000248846915 432323640 /nfs/dbraw/zinc/32/36/40/432323640.db2.gz NLBNGDVKNQBLNY-CABCVRRESA-N 1 0 319.401 3.049 10 0 DGAERO c1csc(CN2CCC[C@@H](C[NH2+]C[C@H]3CCC=CO3)C2)c1 ZINC000248882101 432326214 /nfs/dbraw/zinc/32/62/14/432326214.db2.gz KZRKEPVJVKQAKF-JKSUJKDBSA-N 1 0 306.475 3.242 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc2c(c1)OCCCO2 ZINC000248866180 432326327 /nfs/dbraw/zinc/32/63/27/432326327.db2.gz QCWZFAMUUQNEOR-FDQGKXFDSA-N 1 0 317.429 3.456 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248910607 432329095 /nfs/dbraw/zinc/32/90/95/432329095.db2.gz QTPHWEQASFPIQY-KGLIPLIRSA-N 1 0 321.465 3.032 10 0 DGAERO CN(C(=O)NCC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174201041 432329400 /nfs/dbraw/zinc/32/94/00/432329400.db2.gz ILWWKYHRDKZMGZ-KRWDZBQOSA-N 1 0 317.477 3.339 10 0 DGAERO Cc1nc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)nc2ccccc12 ZINC000174226309 432329827 /nfs/dbraw/zinc/32/98/27/432329827.db2.gz ICUYCEOZCXHMDV-SJORKVTESA-N 1 0 324.472 3.385 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000192071283 432330969 /nfs/dbraw/zinc/33/09/69/432330969.db2.gz IBJQDHHDIATKRE-CJNGLKHVSA-N 1 0 305.418 3.157 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](C[C@H]3CC[C@@H](C)O3)C2)c1 ZINC000248957557 432331267 /nfs/dbraw/zinc/33/12/67/432331267.db2.gz OXMXKSPJUBMPPX-IIAWOOMASA-N 1 0 305.418 3.061 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2ccc(C)o2)C1 ZINC000174231891 432331800 /nfs/dbraw/zinc/33/18/00/432331800.db2.gz NDNZVWBKCJDWJZ-HZPDHXFCSA-N 1 0 319.449 3.309 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccsc3Cl)CC[C@H]21 ZINC000249008829 432332630 /nfs/dbraw/zinc/33/26/30/432332630.db2.gz WCYBIJUTSUSYJC-ZYHUDNBSSA-N 1 0 313.854 3.350 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccco2)C12CCOCC2 ZINC000249010200 432332925 /nfs/dbraw/zinc/33/29/25/432332925.db2.gz OLGNZGYITZQMLO-HYVNUMGLSA-N 1 0 307.434 3.165 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2csc(CC)n2)C12CCOCC2 ZINC000248978886 432333026 /nfs/dbraw/zinc/33/30/26/432333026.db2.gz IHYQLIUIBOQDCQ-VHDGCEQUSA-N 1 0 324.490 3.330 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2OC)C12CCOCC2 ZINC000249018097 432334626 /nfs/dbraw/zinc/33/46/26/432334626.db2.gz QAPIHYVTPCINEK-FHLIZLRMSA-N 1 0 319.445 3.320 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000192127819 432335841 /nfs/dbraw/zinc/33/58/41/432335841.db2.gz AMONHIGUOKOMBC-BXKDBHETSA-N 1 0 305.752 3.456 10 0 DGAERO FC(F)Oc1ccccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000249060952 432335933 /nfs/dbraw/zinc/33/59/33/432335933.db2.gz POFLBPHTRYQIAU-NUEKZKHPSA-N 1 0 323.383 3.378 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1C ZINC000249111329 432339831 /nfs/dbraw/zinc/33/98/31/432339831.db2.gz APSIYVMPCBTSFC-BLLLJJGKSA-N 1 0 303.381 3.073 10 0 DGAERO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@@H](O)CC1CCCC1 ZINC000249122848 432339889 /nfs/dbraw/zinc/33/98/89/432339889.db2.gz TUMFVCAUOKVJSH-AOSWFRPUSA-N 1 0 323.502 3.358 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000249163621 432341115 /nfs/dbraw/zinc/34/11/15/432341115.db2.gz ZZDKVQDLNYPQOY-BHIYHBOVSA-N 1 0 302.462 3.056 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000249207969 432342024 /nfs/dbraw/zinc/34/20/24/432342024.db2.gz CBJTXISSSNSLIU-KBXCAEBGSA-N 1 0 315.461 3.092 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000249283222 432343258 /nfs/dbraw/zinc/34/32/58/432343258.db2.gz HJDDDAASLMTZMO-SQNIBIBYSA-N 1 0 300.446 3.059 10 0 DGAERO CC[C@H]1CN(c2ccccc2)CCN1Cc1nccn1C(F)F ZINC000184006467 432344087 /nfs/dbraw/zinc/34/40/87/432344087.db2.gz PCQIKUIFTLXULG-AWEZNQCLSA-N 1 0 320.387 3.379 10 0 DGAERO COC(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)OC ZINC000249300381 432344531 /nfs/dbraw/zinc/34/45/31/432344531.db2.gz CBLUSKKTBSCTOM-ZIAGYGMSSA-N 1 0 313.463 3.035 10 0 DGAERO CC[C@H]1CN(c2ccccc2)CCN1Cc1nc(C(C)C)no1 ZINC000184022108 432346051 /nfs/dbraw/zinc/34/60/51/432346051.db2.gz YMPYYLWXJRXLTR-HNNXBMFYSA-N 1 0 314.433 3.294 10 0 DGAERO O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249378263 432346311 /nfs/dbraw/zinc/34/63/11/432346311.db2.gz NBFYIMKCENYJKI-WQVCFCJDSA-N 1 0 311.385 3.201 10 0 DGAERO Fc1cc(F)c(CN2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000152690356 432347607 /nfs/dbraw/zinc/34/76/07/432347607.db2.gz VEPLBYPGZCOWOL-UHFFFAOYSA-N 1 0 312.379 3.412 10 0 DGAERO Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cc2ccccc2)cs1 ZINC000249438692 432348126 /nfs/dbraw/zinc/34/81/26/432348126.db2.gz JCQSLBVVSXCPGI-RDJZCZTQSA-N 1 0 302.443 3.192 10 0 DGAERO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](O)Cc2ccccc2)cs1 ZINC000249438690 432348147 /nfs/dbraw/zinc/34/81/47/432348147.db2.gz JCQSLBVVSXCPGI-DOTOQJQBSA-N 1 0 302.443 3.192 10 0 DGAERO CSC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000249478184 432349184 /nfs/dbraw/zinc/34/91/84/432349184.db2.gz UTKSCOVZQCTWGL-CHWSQXEVSA-N 1 0 314.520 3.170 10 0 DGAERO COc1ccc2cc(C[NH2+]CC3(C)OCCCO3)ccc2c1 ZINC000192251336 432350611 /nfs/dbraw/zinc/35/06/11/432350611.db2.gz NJCSDRXKSJOXMK-UHFFFAOYSA-N 1 0 301.386 3.091 10 0 DGAERO C[C@H](c1ccc(F)cc1)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000249685413 432353588 /nfs/dbraw/zinc/35/35/88/432353588.db2.gz GHWSDVPEYGFVQG-LSDHHAIUSA-N 1 0 306.425 3.072 10 0 DGAERO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000248604650 432305424 /nfs/dbraw/zinc/30/54/24/432305424.db2.gz OTULKKJESLHDSN-YQQAZPJKSA-N 1 0 318.461 3.034 10 0 DGAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC(C)(C)C1 ZINC000248622170 432307201 /nfs/dbraw/zinc/30/72/01/432307201.db2.gz YFQSJDCENONGHG-LTIDMASMSA-N 1 0 306.494 3.392 10 0 DGAERO CCCC[C@H](CC)C[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000183614388 432308563 /nfs/dbraw/zinc/30/85/63/432308563.db2.gz AYSMTVQBHKVUQI-HOCLYGCPSA-N 1 0 308.470 3.273 10 0 DGAERO CC[NH+](CC)CC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173917020 432308833 /nfs/dbraw/zinc/30/88/33/432308833.db2.gz BMEORGIBSCJKIT-CQSZACIVSA-N 1 0 323.506 3.314 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCCCC2CCCCC2)CC[N@@H+]1C ZINC000173916628 432309150 /nfs/dbraw/zinc/30/91/50/432309150.db2.gz JSYKFZMDYDEPSL-RDJZCZTQSA-N 1 0 309.498 3.471 10 0 DGAERO CCc1csc([C@H]2CCC[N@@H+]([C@H](C)c3cnccn3)C2)n1 ZINC000248639861 432309707 /nfs/dbraw/zinc/30/97/07/432309707.db2.gz XUEIJMCNSNNPQV-OLZOCXBDSA-N 1 0 302.447 3.436 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)s1 ZINC000183616685 432310007 /nfs/dbraw/zinc/31/00/07/432310007.db2.gz WLCJKIJTKRBSEA-JTQLQIEISA-N 1 0 308.369 3.206 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)c2ncnc3c(C)csc32)[C@@H](C)C1 ZINC000248666488 432311561 /nfs/dbraw/zinc/31/15/61/432311561.db2.gz OBHSSHQLKFLSDR-AAEUAGOBSA-N 1 0 304.463 3.166 10 0 DGAERO CC1(C)OCc2cc(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)ccc2O1 ZINC000248690536 432311961 /nfs/dbraw/zinc/31/19/61/432311961.db2.gz ASYSNDGNYNTOHS-JZXOWHBKSA-N 1 0 317.429 3.379 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000183672275 432315042 /nfs/dbraw/zinc/31/50/42/432315042.db2.gz OPKVXYFZWHALFW-CQSZACIVSA-N 1 0 303.450 3.436 10 0 DGAERO C=Cn1cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000248756001 432315668 /nfs/dbraw/zinc/31/56/68/432315668.db2.gz CRFYHCNRIALURO-DLBZAZTESA-N 1 0 316.836 3.172 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)CC2 ZINC000174029816 432315842 /nfs/dbraw/zinc/31/58/42/432315842.db2.gz OQAVYYAYKYTZJQ-WFASDCNBSA-N 1 0 302.397 3.206 10 0 DGAERO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000251872736 432372386 /nfs/dbraw/zinc/37/23/86/432372386.db2.gz QRBLLEAPCOAFNC-LVQVYYBASA-N 1 0 301.496 3.148 10 0 DGAERO CCc1ccc([C@H]2CCCCN2C(=O)C[N@@H+](CC)C2CC2)o1 ZINC000152962578 432372384 /nfs/dbraw/zinc/37/23/84/432372384.db2.gz ZXDLBSDLLNOKRQ-MRXNPFEDSA-N 1 0 304.434 3.380 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3ncsc3c2)CC[N@@H+]1C ZINC000174959806 432383873 /nfs/dbraw/zinc/38/38/73/432383873.db2.gz DIJZVNUUVQQFDI-DGCLKSJQSA-N 1 0 318.446 3.243 10 0 DGAERO Cc1cccc(-c2n[nH]cc2CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000252802913 432388114 /nfs/dbraw/zinc/38/81/14/432388114.db2.gz VTENVOIZIJGESL-PKOBYXMFSA-N 1 0 324.472 3.301 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1OC ZINC000175005671 432388334 /nfs/dbraw/zinc/38/83/34/432388334.db2.gz XOVASWKLFPHPHQ-ZIAGYGMSSA-N 1 0 322.836 3.047 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000175007024 432388766 /nfs/dbraw/zinc/38/87/66/432388766.db2.gz YSMNWXYRKCOWMZ-ZBLKQVMWSA-N 1 0 316.489 3.288 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2CCSCc2ccccc2)cn1 ZINC000192571247 432389374 /nfs/dbraw/zinc/38/93/74/432389374.db2.gz AMRFXZLLBCRLML-QGZVFWFLSA-N 1 0 301.459 3.490 10 0 DGAERO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000192587627 432391073 /nfs/dbraw/zinc/39/10/73/432391073.db2.gz ZSYBXYSBYOCICR-KBPBESRZSA-N 1 0 302.443 3.412 10 0 DGAERO Cc1cc(C)cc([C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)c1 ZINC000184440906 432392446 /nfs/dbraw/zinc/39/24/46/432392446.db2.gz IAJUDVBAEBOQLS-MRXNPFEDSA-N 1 0 323.440 3.394 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@@H]2CCCNc3ccccc32)cn1 ZINC000192654341 432396832 /nfs/dbraw/zinc/39/68/32/432396832.db2.gz WOZSOIGHRJLTMH-GOSISDBHSA-N 1 0 319.412 3.304 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192650801 432396960 /nfs/dbraw/zinc/39/69/60/432396960.db2.gz FMCRDIFJCHFUEV-SFHVURJKSA-N 1 0 315.461 3.170 10 0 DGAERO CCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000175098126 432396989 /nfs/dbraw/zinc/39/69/89/432396989.db2.gz MMQOFQMBAXDATI-QAPCUYQASA-N 1 0 317.477 3.088 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(SC)cc2OC)C1 ZINC000192650507 432396977 /nfs/dbraw/zinc/39/69/77/432396977.db2.gz TXXQQFBPASZMPS-LBPRGKRZSA-N 1 0 323.462 3.023 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000153348234 432400946 /nfs/dbraw/zinc/40/09/46/432400946.db2.gz KUGCHVAIALPBGJ-GOSISDBHSA-N 1 0 309.457 3.078 10 0 DGAERO Cn1c2ccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)cc2sc1=O ZINC000192695333 432402293 /nfs/dbraw/zinc/40/22/93/432402293.db2.gz JAGGNFJAHZGJIH-AWEZNQCLSA-N 1 0 320.458 3.036 10 0 DGAERO C[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC2)[C@@H]1c1cccc(F)c1 ZINC000175148014 432402315 /nfs/dbraw/zinc/40/23/15/432402315.db2.gz WDKSLKLNRCVPCF-ACJLOTCBSA-N 1 0 304.409 3.077 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000175152793 432404362 /nfs/dbraw/zinc/40/43/62/432404362.db2.gz HBWDYLFZJLJRFJ-GDBMZVCRSA-N 1 0 319.449 3.420 10 0 DGAERO C[NH+](C)[C@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175163061 432405581 /nfs/dbraw/zinc/40/55/81/432405581.db2.gz SCJKGTGJAGUJBU-HNNXBMFYSA-N 1 0 303.381 3.007 10 0 DGAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000249780951 432357794 /nfs/dbraw/zinc/35/77/94/432357794.db2.gz PNQBNRBEOAUOFH-AXFHLTTASA-N 1 0 300.805 3.433 10 0 DGAERO CCCN(CCc1cccs1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000184130838 432357863 /nfs/dbraw/zinc/35/78/63/432357863.db2.gz CCTBHRTWJMHLAM-OAHLLOKOSA-N 1 0 323.506 3.197 10 0 DGAERO CC1CCC(Oc2cc(CNCc3cocn3)ccn2)CC1 ZINC000192313310 432358813 /nfs/dbraw/zinc/35/88/13/432358813.db2.gz PAQSCNBPMODQHH-UHFFFAOYSA-N 1 0 301.390 3.317 10 0 DGAERO CCc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)CC)C2)n1 ZINC000249885191 432359169 /nfs/dbraw/zinc/35/91/69/432359169.db2.gz OVSYLVNJKCXGPA-BFHYXJOUSA-N 1 0 323.506 3.188 10 0 DGAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1ccccc1F ZINC000249877383 432359770 /nfs/dbraw/zinc/35/97/70/432359770.db2.gz MEOZGGBGVVZEOA-DOMZBBRYSA-N 1 0 306.406 3.195 10 0 DGAERO CCc1cnc(CC[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)s1 ZINC000174624800 432360345 /nfs/dbraw/zinc/36/03/45/432360345.db2.gz OFNJKLYKCJNGJH-UHFFFAOYSA-N 1 0 316.430 3.329 10 0 DGAERO CCSc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccn1 ZINC000249983513 432361724 /nfs/dbraw/zinc/36/17/24/432361724.db2.gz LNESFQBUODCLEA-NUEKZKHPSA-N 1 0 306.475 3.487 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c3ccc(C)cc23)C1 ZINC000174645869 432361817 /nfs/dbraw/zinc/36/18/17/432361817.db2.gz MXJHXQFAGKEIJY-MRXNPFEDSA-N 1 0 313.445 3.009 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000249912544 432362589 /nfs/dbraw/zinc/36/25/89/432362589.db2.gz WJRCQQUEEVFPHO-ZIAGYGMSSA-N 1 0 321.490 3.078 10 0 DGAERO COc1cccc(F)c1[C@@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184209177 432366675 /nfs/dbraw/zinc/36/66/75/432366675.db2.gz DRXGLCJBIRYPCW-CYBMUJFWSA-N 1 0 322.424 3.311 10 0 DGAERO Cc1cc(C)nc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000184220979 432368362 /nfs/dbraw/zinc/36/83/62/432368362.db2.gz BGXZLTBCZMVCLA-MRXNPFEDSA-N 1 0 312.417 3.123 10 0 DGAERO CC(C)c1cnc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000192395236 432369399 /nfs/dbraw/zinc/36/93/99/432369399.db2.gz JXOJDTVEEPJBMG-RYUDHWBXSA-N 1 0 310.467 3.213 10 0 DGAERO CC(C)c1cnc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000192395231 432369488 /nfs/dbraw/zinc/36/94/88/432369488.db2.gz JXOJDTVEEPJBMG-NWDGAFQWSA-N 1 0 310.467 3.213 10 0 DGAERO CCCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCc2ccccc2C1 ZINC000152940438 432369962 /nfs/dbraw/zinc/36/99/62/432369962.db2.gz YEICWHMURJJFDJ-QYZOEREBSA-N 1 0 314.473 3.300 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)cc1 ZINC000192936031 432429832 /nfs/dbraw/zinc/42/98/32/432429832.db2.gz SCHBAYXPSVJYQV-IPELMVKDSA-N 1 0 321.461 3.017 10 0 DGAERO C[NH2+]C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000261610082 432432106 /nfs/dbraw/zinc/43/21/06/432432106.db2.gz SEWZNLHGMLXHHG-UHFFFAOYSA-N 1 0 303.233 3.056 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(F)cc(Cl)c1 ZINC000261599746 432433218 /nfs/dbraw/zinc/43/32/18/432433218.db2.gz AWWCTDCWLSOQGD-SEGBCRLWSA-N 1 0 310.800 3.115 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000261626166 432435268 /nfs/dbraw/zinc/43/52/68/432435268.db2.gz COWWCXQASFLYRT-XOKHGSTOSA-N 1 0 315.392 3.040 10 0 DGAERO CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCC[N@H+](C)C1 ZINC000153723441 432435446 /nfs/dbraw/zinc/43/54/46/432435446.db2.gz RPHVJRWLWULKQS-OAHLLOKOSA-N 1 0 316.376 3.252 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000153720668 432435904 /nfs/dbraw/zinc/43/59/04/432435904.db2.gz NTRNOSZQWNHTCM-LBPRGKRZSA-N 1 0 316.376 3.147 10 0 DGAERO Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000175436715 432435986 /nfs/dbraw/zinc/43/59/86/432435986.db2.gz CTEUKJROFPBAJX-AYHJJNSGSA-N 1 0 315.461 3.118 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)cc1OC ZINC000153728037 432438272 /nfs/dbraw/zinc/43/82/72/432438272.db2.gz GMAFAUQUFQEAQE-SQWLQELKSA-N 1 0 307.434 3.214 10 0 DGAERO Clc1cccc(Cl)c1OCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261667135 432438918 /nfs/dbraw/zinc/43/89/18/432438918.db2.gz FOLBGOTXDWDXAD-RISCZKNCSA-N 1 0 315.244 3.056 10 0 DGAERO CC(C)[C@H](Sc1ccccc1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261673296 432440719 /nfs/dbraw/zinc/44/07/19/432440719.db2.gz AFCHABPSTGLCHC-RDJZCZTQSA-N 1 0 306.475 3.001 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C1(c2ccccc2)CCC1 ZINC000261682583 432441405 /nfs/dbraw/zinc/44/14/05/432441405.db2.gz QUVUQNIDTGQEPD-BXXOZEPKSA-N 1 0 312.457 3.131 10 0 DGAERO COc1cc(C)ccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000175490379 432441616 /nfs/dbraw/zinc/44/16/16/432441616.db2.gz WLCQFBKOILDQHN-GOOCMWNKSA-N 1 0 317.433 3.140 10 0 DGAERO CC(C)C[C@H](C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000184894229 432442517 /nfs/dbraw/zinc/44/25/17/432442517.db2.gz GZFXVWKYOGJDLP-JKSUJKDBSA-N 1 0 317.477 3.405 10 0 DGAERO C[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1cccs1 ZINC000261717118 432444552 /nfs/dbraw/zinc/44/45/52/432444552.db2.gz LFLRWVOMVMVUGC-SNVBAGLBSA-N 1 0 304.390 3.275 10 0 DGAERO C[NH2+][C@H](C)Cc1noc(CSc2ccc3c(c2)CCC3)n1 ZINC000261742988 432446096 /nfs/dbraw/zinc/44/60/96/432446096.db2.gz LGBOHTBCDPNDCN-LLVKDONJSA-N 1 0 303.431 3.001 10 0 DGAERO Cc1ncsc1CC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000175536845 432446921 /nfs/dbraw/zinc/44/69/21/432446921.db2.gz ITNBZNUWAPXRTE-UHFFFAOYSA-N 1 0 307.488 3.461 10 0 DGAERO CCOc1c(Cl)cccc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261764459 432448860 /nfs/dbraw/zinc/44/88/60/432448860.db2.gz DGEJFPGYPQYOGL-YIONKMFJSA-N 1 0 308.853 3.454 10 0 DGAERO Fc1c(Cl)cccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261763111 432449137 /nfs/dbraw/zinc/44/91/37/432449137.db2.gz RHVZTIJHLHDOLC-OAHLLOKOSA-N 1 0 305.784 3.021 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)NC(=O)Nc1ccccc1 ZINC000193112595 432449954 /nfs/dbraw/zinc/44/99/54/432449954.db2.gz ZGVHIJAMWYNSIE-VXGBXAGGSA-N 1 0 317.414 3.136 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2scnc2C2CCCC2)CC[N@@H+]1C ZINC000184976769 432452268 /nfs/dbraw/zinc/45/22/68/432452268.db2.gz IDHLPPFZUHFAME-JSGCOSHPSA-N 1 0 321.490 3.355 10 0 DGAERO CCC[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1cccnc1 ZINC000184982614 432452645 /nfs/dbraw/zinc/45/26/45/432452645.db2.gz OOEZTCRNUGJSLZ-KRWDZBQOSA-N 1 0 303.450 3.159 10 0 DGAERO COCCOCC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000175737710 432459690 /nfs/dbraw/zinc/45/96/90/432459690.db2.gz ATVMPEDSCAVLJP-AWEZNQCLSA-N 1 0 312.479 3.109 10 0 DGAERO Fc1cc2cccnc2c(CN2CC[NH2+]CC23CCCCC3)c1 ZINC000261844404 432454472 /nfs/dbraw/zinc/45/44/72/432454472.db2.gz ZCPKBCPCTSIAHH-UHFFFAOYSA-N 1 0 313.420 3.482 10 0 DGAERO CSc1cccc(C)c1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000185019299 432455687 /nfs/dbraw/zinc/45/56/87/432455687.db2.gz OTZNRPMMNPCKIT-UONOGXRCSA-N 1 0 319.474 3.417 10 0 DGAERO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000193218914 432458390 /nfs/dbraw/zinc/45/83/90/432458390.db2.gz PHNGARAXYQZUHL-OLZOCXBDSA-N 1 0 318.442 3.112 10 0 DGAERO Fc1cccc(-c2cnc(C[N@@H+]3CC[C@]4(CCOC4)C3)o2)c1 ZINC000153469107 432410982 /nfs/dbraw/zinc/41/09/82/432410982.db2.gz ZXDVKNIMJYGSMT-KRWDZBQOSA-N 1 0 302.349 3.093 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1COc2ccccc21 ZINC000175197193 432410977 /nfs/dbraw/zinc/41/09/77/432410977.db2.gz QRWNHVORHXOEQW-GOSISDBHSA-N 1 0 322.408 3.397 10 0 DGAERO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184630639 432414786 /nfs/dbraw/zinc/41/47/86/432414786.db2.gz VOGIMNVONHLOGL-GFCCVEGCSA-N 1 0 324.852 3.133 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1F ZINC000192811968 432415977 /nfs/dbraw/zinc/41/59/77/432415977.db2.gz RSSBTXITCORJHG-TZMCWYRMSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(Cl)cc1 ZINC000192811569 432416296 /nfs/dbraw/zinc/41/62/96/432416296.db2.gz ZFOZQWCBJGERDJ-CZUORRHYSA-N 1 0 316.836 3.450 10 0 DGAERO COc1ccc(C[NH2+][C@@H](C)c2ccnn2C)cc1Br ZINC000192802138 432417050 /nfs/dbraw/zinc/41/70/50/432417050.db2.gz PJYUXUZVRCUDGA-JTQLQIEISA-N 1 0 324.222 3.042 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(Cl)c1F)CC2 ZINC000184657195 432417532 /nfs/dbraw/zinc/41/75/32/432417532.db2.gz ZNJUKCHUFNAYGS-GHMZBOCLSA-N 1 0 322.815 3.299 10 0 DGAERO CN(CCC(Cl)(Cl)Cl)[C@H]1CCCc2c1cnn2C ZINC000184682986 432420283 /nfs/dbraw/zinc/42/02/83/432420283.db2.gz JPGPJSMEZAKHBH-JTQLQIEISA-N 1 0 310.656 3.490 10 0 DGAERO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)CCC2 ZINC000192861678 432423691 /nfs/dbraw/zinc/42/36/91/432423691.db2.gz DYHMACPSYKXNEQ-MCIONIFRSA-N 1 0 321.417 3.035 10 0 DGAERO CC[C@H]1C[N@H+](CCSc2ccccc2)CCN1CC(F)F ZINC000153595204 432423703 /nfs/dbraw/zinc/42/37/03/432423703.db2.gz HOAAKMIMSGQUBR-AWEZNQCLSA-N 1 0 314.445 3.440 10 0 DGAERO Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000192866182 432423961 /nfs/dbraw/zinc/42/39/61/432423961.db2.gz DNKNTBNRSHAZSY-AWEZNQCLSA-N 1 0 302.443 3.366 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1cccs1 ZINC000192870570 432423992 /nfs/dbraw/zinc/42/39/92/432423992.db2.gz NTUPPZTWGOYLJP-GFCCVEGCSA-N 1 0 322.861 3.411 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1ccccc1Cl ZINC000175336235 432425298 /nfs/dbraw/zinc/42/52/98/432425298.db2.gz PDUZMENPLCQTJY-CQSZACIVSA-N 1 0 323.868 3.085 10 0 DGAERO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000257351751 432426624 /nfs/dbraw/zinc/42/66/24/432426624.db2.gz GWWDLUTYLMMKFE-KBPBESRZSA-N 1 0 305.422 3.132 10 0 DGAERO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000257351752 432427417 /nfs/dbraw/zinc/42/74/17/432427417.db2.gz GWWDLUTYLMMKFE-KGLIPLIRSA-N 1 0 305.422 3.132 10 0 DGAERO C[C@@](CO)([NH2+]Cc1nc2cc(F)ccc2o1)C1CCCCC1 ZINC000154118751 432473336 /nfs/dbraw/zinc/47/33/36/432473336.db2.gz WGPMCKDCQIRPET-KRWDZBQOSA-N 1 0 306.381 3.388 10 0 DGAERO Cc1cc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)on1 ZINC000262127936 432476006 /nfs/dbraw/zinc/47/60/06/432476006.db2.gz NHYWETKXDUYCAB-INIZCTEOSA-N 1 0 317.458 3.189 10 0 DGAERO C[C@H]([NH2+]Cc1ccnc(N)c1)c1cccc(Br)c1 ZINC000193477552 432476197 /nfs/dbraw/zinc/47/61/97/432476197.db2.gz FERAWBKSGKCPST-JTQLQIEISA-N 1 0 306.207 3.277 10 0 DGAERO CCC1(NC(=O)NCc2ccnc(N3CCCCC3)c2)CCC1 ZINC000175915152 432477641 /nfs/dbraw/zinc/47/76/41/432477641.db2.gz FTOIDBYAUVANMJ-UHFFFAOYSA-N 1 0 316.449 3.204 10 0 DGAERO C[C@H](C[NH3+])C(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000262261489 432480336 /nfs/dbraw/zinc/48/03/36/432480336.db2.gz ULRILOACROWJQB-OAHLLOKOSA-N 1 0 324.424 3.140 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1)[NH+](C)C ZINC000154197524 432480755 /nfs/dbraw/zinc/48/07/55/432480755.db2.gz FHTIITPZRIFXCB-OAHLLOKOSA-N 1 0 316.405 3.179 10 0 DGAERO CCCC[N@H+](C)CC1CCN(C(=O)c2c[nH]nc2C(C)C)CC1 ZINC000193595954 432482725 /nfs/dbraw/zinc/48/27/25/432482725.db2.gz VJWQEAPLVCAWFZ-UHFFFAOYSA-N 1 0 320.481 3.117 10 0 DGAERO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000175991286 432483395 /nfs/dbraw/zinc/48/33/95/432483395.db2.gz LBCXYPZLBWJWNQ-AWEZNQCLSA-N 1 0 309.417 3.008 10 0 DGAERO CCC1(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CCC1 ZINC000175982866 432483596 /nfs/dbraw/zinc/48/35/96/432483596.db2.gz RLDQGHOKWDRJAO-HNNXBMFYSA-N 1 0 307.413 3.060 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000262458956 432485764 /nfs/dbraw/zinc/48/57/64/432485764.db2.gz IKNHFJQFUURXOR-DZGCQCFKSA-N 1 0 322.449 3.257 10 0 DGAERO CC(C)COc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000193631135 432486243 /nfs/dbraw/zinc/48/62/43/432486243.db2.gz SKOCOBNHPYNPMU-UHFFFAOYSA-N 1 0 319.449 3.279 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(C)(C)SC)cc1NC(C)=O ZINC000154289662 432487468 /nfs/dbraw/zinc/48/74/68/432487468.db2.gz FYPCWHMLXUFFQV-NSHDSACASA-N 1 0 310.463 3.446 10 0 DGAERO Cc1csc2c1ncnc2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192611491 281744849 /nfs/dbraw/zinc/74/48/49/281744849.db2.gz BAJOMIARTRRMEY-AWEZNQCLSA-N 1 0 316.474 3.454 10 0 DGAERO C[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000262531172 432490110 /nfs/dbraw/zinc/49/01/10/432490110.db2.gz IJXNVNWBZCJXED-JVPBZIDWSA-N 1 0 308.425 3.311 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)C ZINC000185325797 432490724 /nfs/dbraw/zinc/49/07/24/432490724.db2.gz SSSBFRRHVHLHCK-MRXNPFEDSA-N 1 0 320.477 3.396 10 0 DGAERO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)CCCCCC[NH3+])cc1 ZINC000262633813 432495767 /nfs/dbraw/zinc/49/57/67/432495767.db2.gz OFMQGGCVLQCNSV-MJGOQNOKSA-N 1 0 318.461 3.241 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000262715722 432499702 /nfs/dbraw/zinc/49/97/02/432499702.db2.gz VFRSFSNXSWBBSH-KDOFPFPSSA-N 1 0 321.465 3.029 10 0 DGAERO CSc1ccc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000193815560 432500486 /nfs/dbraw/zinc/50/04/86/432500486.db2.gz MOKWPARQDXYVRP-HNNXBMFYSA-N 1 0 323.506 3.184 10 0 DGAERO CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000193815160 432500537 /nfs/dbraw/zinc/50/05/37/432500537.db2.gz FTKJAQIOQRKOCL-OAHLLOKOSA-N 1 0 317.477 3.163 10 0 DGAERO C[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1cc2ccccc2o1 ZINC000176213139 432501197 /nfs/dbraw/zinc/50/11/97/432501197.db2.gz KOOONHKQRWXZBB-AWEZNQCLSA-N 1 0 312.413 3.233 10 0 DGAERO C[NH+](C)C1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000193810768 432501385 /nfs/dbraw/zinc/50/13/85/432501385.db2.gz UTPNJEODGBHNQB-UHFFFAOYSA-N 1 0 303.381 3.007 10 0 DGAERO Cc1cc(NC(=O)[C@H](C)CC(C)C)n(-c2cc(C)nc(C)n2)n1 ZINC000185462702 432502875 /nfs/dbraw/zinc/50/28/75/432502875.db2.gz KHCREULHJIIAPY-LLVKDONJSA-N 1 0 315.421 3.208 10 0 DGAERO C[C@H](CNC(=O)C/C=C/c1cccc(F)c1)[NH+]1CCC(C)CC1 ZINC000176223892 432503235 /nfs/dbraw/zinc/50/32/35/432503235.db2.gz YEYLNAFIROJDPT-MQDFFIGUSA-N 1 0 318.436 3.466 10 0 DGAERO CCCCN(C(=O)C[C@@H](C[NH3+])OC)[C@@H](CC)c1ccccc1 ZINC000262854468 432506120 /nfs/dbraw/zinc/50/61/20/432506120.db2.gz KKIJMCPZJLLEPD-IRXDYDNUSA-N 1 0 306.450 3.130 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1OC(C)C ZINC000176300687 432509024 /nfs/dbraw/zinc/50/90/24/432509024.db2.gz GKDXHODBHRMLKY-HNNXBMFYSA-N 1 0 319.449 3.422 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000176305142 432510150 /nfs/dbraw/zinc/51/01/50/432510150.db2.gz FVVIMIZQBNGCHN-MRXNPFEDSA-N 1 0 319.449 3.422 10 0 DGAERO CCOc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000176313411 432510807 /nfs/dbraw/zinc/51/08/07/432510807.db2.gz XVDFJEVBBLHAIR-HNNXBMFYSA-N 1 0 305.422 3.033 10 0 DGAERO CCOC[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000176329007 432511372 /nfs/dbraw/zinc/51/13/72/432511372.db2.gz GYWVMDCLPLYWKR-KBPBESRZSA-N 1 0 301.390 3.156 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC2(c3cccc(Cl)c3)CC2)C1 ZINC000153971977 432460827 /nfs/dbraw/zinc/46/08/27/432460827.db2.gz QLDHUQUMGXTCQH-OAHLLOKOSA-N 1 0 321.852 3.113 10 0 DGAERO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)Cc1ccccc1 ZINC000261933475 432460993 /nfs/dbraw/zinc/46/09/93/432460993.db2.gz LYQDDXIDYUKNFN-OTWHNJEPSA-N 1 0 316.489 3.002 10 0 DGAERO CN(Cc1ccc(Br)c(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261927884 432461762 /nfs/dbraw/zinc/46/17/62/432461762.db2.gz CIWRJGPQQFVAPR-CQSZACIVSA-N 1 0 315.230 3.020 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000185067338 432462748 /nfs/dbraw/zinc/46/27/48/432462748.db2.gz VGMYAZIFNGPWCE-HZPDHXFCSA-N 1 0 306.425 3.008 10 0 DGAERO CC(C)c1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261959539 432463615 /nfs/dbraw/zinc/46/36/15/432463615.db2.gz XLNCRWHKVOTTAF-FRQCXROJSA-N 1 0 316.445 3.281 10 0 DGAERO c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261979877 432466461 /nfs/dbraw/zinc/46/64/61/432466461.db2.gz RLLZHKBMHPCWQJ-NJYVYQBISA-N 1 0 324.468 3.129 10 0 DGAERO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000262013200 432468640 /nfs/dbraw/zinc/46/86/40/432468640.db2.gz VTBDDYUVWYEMDA-IPMKNSEASA-N 1 0 316.489 3.019 10 0 DGAERO CCOc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1C ZINC000175824109 432468876 /nfs/dbraw/zinc/46/88/76/432468876.db2.gz NUXBMDOHYGJKKE-AWEZNQCLSA-N 1 0 306.450 3.100 10 0 DGAERO CC(C)Cc1ccc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000262042125 432469291 /nfs/dbraw/zinc/46/92/91/432469291.db2.gz UDCMZACDDZSYOH-DFNIBXOVSA-N 1 0 314.473 3.169 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000262021600 432470088 /nfs/dbraw/zinc/47/00/88/432470088.db2.gz XSGFQOBWUNSSPQ-UAGQMJEPSA-N 1 0 300.446 3.001 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000155502607 432558125 /nfs/dbraw/zinc/55/81/25/432558125.db2.gz NDOKLDILZBLQPF-OKILXGFUSA-N 1 0 304.434 3.029 10 0 DGAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCOC[C@H]2C)c1 ZINC000193988620 432515468 /nfs/dbraw/zinc/51/54/68/432515468.db2.gz JMUYARCOEUPHMN-PBHICJAKSA-N 1 0 304.434 3.140 10 0 DGAERO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1C ZINC000193997967 432515748 /nfs/dbraw/zinc/51/57/48/432515748.db2.gz LZYILDFABFPZRM-MSOLQXFVSA-N 1 0 302.462 3.451 10 0 DGAERO Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCCc2ccc(F)cc2)o1 ZINC000194022126 432517345 /nfs/dbraw/zinc/51/73/45/432517345.db2.gz CVONHRCKILULKE-ZIAGYGMSSA-N 1 0 318.392 3.125 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C12CCOCC2 ZINC000185654400 432520757 /nfs/dbraw/zinc/52/07/57/432520757.db2.gz JUGRQIAEKKGWDA-QZTJIDSGSA-N 1 0 303.446 3.367 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cccnc1OC ZINC000176458509 432525208 /nfs/dbraw/zinc/52/52/08/432525208.db2.gz KGRXKLZWNMWKFI-QGZVFWFLSA-N 1 0 312.413 3.306 10 0 DGAERO C[C@H]1CCC[N@@H+]1C1CCN(c2ccnc(C(C)(C)C)n2)CC1 ZINC000154909994 432529252 /nfs/dbraw/zinc/52/92/52/432529252.db2.gz XIOOCKUFZKJCIN-AWEZNQCLSA-N 1 0 302.466 3.227 10 0 DGAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000263275248 432530406 /nfs/dbraw/zinc/53/04/06/432530406.db2.gz ITHUYVYOXPXEGC-GFCCVEGCSA-N 1 0 314.360 3.015 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1scnc1C(C)(C)C ZINC000176558946 432534160 /nfs/dbraw/zinc/53/41/60/432534160.db2.gz CWYZIXXNYPKCNO-LBPRGKRZSA-N 1 0 309.479 3.045 10 0 DGAERO Cn1c(C[NH2+]C2(Cc3ccccc3)CCCC2)nnc1C1CC1 ZINC000185828105 432536303 /nfs/dbraw/zinc/53/63/03/432536303.db2.gz YBEULHPCULMSTD-UHFFFAOYSA-N 1 0 310.445 3.338 10 0 DGAERO C[NH+](C)CC1(CNC(=O)Nc2ccc3cc[nH]c3c2)CCCC1 ZINC000194296392 432538312 /nfs/dbraw/zinc/53/83/12/432538312.db2.gz HMEFPSXJBLBAQO-UHFFFAOYSA-N 1 0 314.433 3.411 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000194314204 432540807 /nfs/dbraw/zinc/54/08/07/432540807.db2.gz JRTMMZSFRXIYAE-ZDUSSCGKSA-N 1 0 315.339 3.311 10 0 DGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000176909211 432564889 /nfs/dbraw/zinc/56/48/89/432564889.db2.gz ARELIVVDJPHFQX-CVEARBPZSA-N 1 0 301.434 3.298 10 0 DGAERO CC[C@@H](C)N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000194358733 432544102 /nfs/dbraw/zinc/54/41/02/432544102.db2.gz WJPMYGOKUOIDSD-OAHLLOKOSA-N 1 0 303.450 3.222 10 0 DGAERO CN(C(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1ccc(F)cc1 ZINC000194364061 432545426 /nfs/dbraw/zinc/54/54/26/432545426.db2.gz LDZQWUWAMSQCBI-QGZVFWFLSA-N 1 0 315.392 3.274 10 0 DGAERO CC(C)C(CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C(C)C ZINC000194378009 432546779 /nfs/dbraw/zinc/54/67/79/432546779.db2.gz OEICLGBOASOUEM-UHFFFAOYSA-N 1 0 323.525 3.432 10 0 DGAERO CCc1noc(C)c1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000155299650 432548590 /nfs/dbraw/zinc/54/85/90/432548590.db2.gz NNPGKIPLAVAMIO-GFCCVEGCSA-N 1 0 322.453 3.177 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000156771199 432606673 /nfs/dbraw/zinc/60/66/73/432606673.db2.gz OFTYVVAZMNFMBG-ZWNOBZJWSA-N 1 0 316.214 3.229 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000177294811 432608534 /nfs/dbraw/zinc/60/85/34/432608534.db2.gz LTGXUIGBBGSWBM-WMZOPIPTSA-N 1 0 317.477 3.133 10 0 DGAERO CCCCOC[C@@H](O)CN(C)Cc1ccc(F)cc1Cl ZINC000195176055 432610679 /nfs/dbraw/zinc/61/06/79/432610679.db2.gz PJBAOFLBVMQOFC-AWEZNQCLSA-N 1 0 303.805 3.089 10 0 DGAERO CCc1nnc(C[N@@H+](CC)C[C@H](CC)c2ccccc2)n1C ZINC000186611076 432613907 /nfs/dbraw/zinc/61/39/07/432613907.db2.gz YYIPHKLNSAEVMD-HNNXBMFYSA-N 1 0 300.450 3.393 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157170167 432615542 /nfs/dbraw/zinc/61/55/42/432615542.db2.gz UUHXVIOVUGSRCH-GJZGRUSLSA-N 1 0 320.481 3.378 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000194732248 432572590 /nfs/dbraw/zinc/57/25/90/432572590.db2.gz IWZDJIAJFBPXSO-IBGZPJMESA-N 1 0 322.452 3.419 10 0 DGAERO CCc1noc(C)c1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000155784302 432572978 /nfs/dbraw/zinc/57/29/78/432572978.db2.gz UDQDYAHCXBJYLZ-CYBMUJFWSA-N 1 0 322.453 3.179 10 0 DGAERO CCC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1cccnc1 ZINC000186293068 432579572 /nfs/dbraw/zinc/57/95/72/432579572.db2.gz DLHIMTPOFIBUEV-CVEARBPZSA-N 1 0 313.449 3.242 10 0 DGAERO CCc1cccc(C)c1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177084961 432583450 /nfs/dbraw/zinc/58/34/50/432583450.db2.gz HSDFGQSLSWXDFW-GOEBONIOSA-N 1 0 301.434 3.258 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186346701 432584641 /nfs/dbraw/zinc/58/46/41/432584641.db2.gz AVDBYHFEKHIVMK-WMLDXEAASA-N 1 0 316.445 3.000 10 0 DGAERO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(Cl)c1 ZINC000177087279 432585048 /nfs/dbraw/zinc/58/50/48/432585048.db2.gz OSCKWPVGDGESSK-QWHCGFSZSA-N 1 0 307.825 3.349 10 0 DGAERO CCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)c1 ZINC000177142427 432591392 /nfs/dbraw/zinc/59/13/92/432591392.db2.gz QXAVUIRZBSJLBI-GJZGRUSLSA-N 1 0 317.433 3.094 10 0 DGAERO Cn1c(CN2CC=C(c3ccc(F)cc3)CC2)nnc1C1CC1 ZINC000195041336 432596206 /nfs/dbraw/zinc/59/62/06/432596206.db2.gz CETOFPSONWTJPW-UHFFFAOYSA-N 1 0 312.392 3.121 10 0 DGAERO O=C(CCc1ccc2ccccc2c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195050083 432598509 /nfs/dbraw/zinc/59/85/09/432598509.db2.gz BWEKIZNPZXUPRM-HXUWFJFHSA-N 1 0 322.452 3.469 10 0 DGAERO Cn1c(C[N@@H+]2CCC[C@H]2CCc2ccccc2)nnc1C1CC1 ZINC000195091341 432602117 /nfs/dbraw/zinc/60/21/17/432602117.db2.gz OBVUKFJRNQLDTB-KRWDZBQOSA-N 1 0 310.445 3.290 10 0 DGAERO CCC[N@H+](Cc1nnc(C2CC2)n1C)[C@H]1CCc2ccccc2C1 ZINC000195108067 432603457 /nfs/dbraw/zinc/60/34/57/432603457.db2.gz JMPZLBZHSSNERL-SFHVURJKSA-N 1 0 324.472 3.462 10 0 DGAERO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000157315031 432619422 /nfs/dbraw/zinc/61/94/22/432619422.db2.gz KYDKGBHUMFKTAL-LBPRGKRZSA-N 1 0 313.353 3.053 10 0 DGAERO COCCCCC[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000177418975 432622016 /nfs/dbraw/zinc/62/20/16/432622016.db2.gz PARWJBDZZVNPNL-HNNXBMFYSA-N 1 0 307.434 3.310 10 0 DGAERO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505982 432625348 /nfs/dbraw/zinc/62/53/48/432625348.db2.gz PRTWSZKDKMQUMI-CYBMUJFWSA-N 1 0 323.400 3.400 10 0 DGAERO C[C@@H](CC1CC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177509474 432631651 /nfs/dbraw/zinc/63/16/51/432631651.db2.gz ZKULXXKYBBZTIY-AWEZNQCLSA-N 1 0 307.482 3.271 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)CCS2 ZINC000186966449 432639424 /nfs/dbraw/zinc/63/94/24/432639424.db2.gz QEGLOVINHHYLLO-WBVHZDCISA-N 1 0 320.502 3.151 10 0 DGAERO Cc1cccc(-c2cccc(C[NH2+]C3CCN(C(N)=O)CC3)c2)c1 ZINC000158525147 432648203 /nfs/dbraw/zinc/64/82/03/432648203.db2.gz HRBORZSLWCLAKI-UHFFFAOYSA-N 1 0 323.440 3.295 10 0 DGAERO C[C@H](O)[C@@H]1CCCCN1Cc1csc(Br)c1 ZINC000264385754 432641169 /nfs/dbraw/zinc/64/11/69/432641169.db2.gz DVCLUCHQKOSUKF-ONGXEEELSA-N 1 0 304.253 3.246 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)c1ccccc1F ZINC000158291426 432641818 /nfs/dbraw/zinc/64/18/18/432641818.db2.gz OTXHRSAYMQZHRP-CQSZACIVSA-N 1 0 308.441 3.196 10 0 DGAERO CSCc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1F ZINC000177609906 432642088 /nfs/dbraw/zinc/64/20/88/432642088.db2.gz GUTZXLXINQRAQX-HUUCEWRRSA-N 1 0 324.465 3.291 10 0 DGAERO CCOc1cc(Cl)ccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177659370 432647216 /nfs/dbraw/zinc/64/72/16/432647216.db2.gz YHBYEYBJIAAFPD-ZDUSSCGKSA-N 1 0 323.824 3.051 10 0 DGAERO CC[C@@]1(CO)CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000187530655 432669474 /nfs/dbraw/zinc/66/94/74/432669474.db2.gz LXSSXBNILMAYDV-GOSISDBHSA-N 1 0 318.392 3.465 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cccnc1 ZINC000158562045 432649948 /nfs/dbraw/zinc/64/99/48/432649948.db2.gz BOXFTPHMXQWYPQ-BXWFABGCSA-N 1 0 310.445 3.038 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cn1)NC(=O)OC(C)(C)C ZINC000221970090 432669557 /nfs/dbraw/zinc/66/95/57/432669557.db2.gz WJPFKZYKLUHYTL-NEPJUHHUSA-N 1 0 311.401 3.175 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000177748016 432656944 /nfs/dbraw/zinc/65/69/44/432656944.db2.gz NPBHEMDONHEHEH-AWEZNQCLSA-N 1 0 308.429 3.478 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000158764927 432657458 /nfs/dbraw/zinc/65/74/58/432657458.db2.gz YUXHJDHEPCNGFI-DLBZAZTESA-N 1 0 310.441 3.160 10 0 DGAERO CC[N@H+](C[C@@H](C)COC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187411585 432662229 /nfs/dbraw/zinc/66/22/29/432662229.db2.gz BHRZTNYQMKSWKE-MJGOQNOKSA-N 1 0 304.478 3.113 10 0 DGAERO COC[C@H](C)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000187412217 432663337 /nfs/dbraw/zinc/66/33/37/432663337.db2.gz QFXPENCNDJQCRY-LLVKDONJSA-N 1 0 306.233 3.070 10 0 DGAERO Cc1cc(C)cc(OCCC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000177814023 432665365 /nfs/dbraw/zinc/66/53/65/432665365.db2.gz ZMKJDDGGJKOYLG-MSOLQXFVSA-N 1 0 304.478 3.487 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1nc3ccccc3s1)CC2 ZINC000220411535 432666757 /nfs/dbraw/zinc/66/67/57/432666757.db2.gz XERVCVPVQGQZRK-GUYCJALGSA-N 1 0 302.443 3.423 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000187909731 432692381 /nfs/dbraw/zinc/69/23/81/432692381.db2.gz PQJPDPBHKWOHBN-ACJLOTCBSA-N 1 0 318.392 3.464 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1C ZINC000178191133 432704339 /nfs/dbraw/zinc/70/43/39/432704339.db2.gz CTWWMQVEHDTTCI-DLBZAZTESA-N 1 0 310.445 3.413 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCSC1 ZINC000226380378 432704826 /nfs/dbraw/zinc/70/48/26/432704826.db2.gz GSLSGEJYBWLUPW-CYBMUJFWSA-N 1 0 316.511 3.413 10 0 DGAERO c1c(C[NH+]2CCC([C@H]3CCCO3)CC2)[nH]nc1-c1ccccc1 ZINC000188247848 432714914 /nfs/dbraw/zinc/71/49/14/432714914.db2.gz YWYFQMJGPHTPQU-LJQANCHMSA-N 1 0 311.429 3.468 10 0 DGAERO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227854833 432715093 /nfs/dbraw/zinc/71/50/93/432715093.db2.gz YOILMXWSVSOMIP-ZCFIWIBFSA-N 1 0 312.660 3.413 10 0 DGAERO C[C@H](CCSc1ccccc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000178302561 432717165 /nfs/dbraw/zinc/71/71/65/432717165.db2.gz OMNAMJJAGRWBCP-CVEARBPZSA-N 1 0 316.474 3.486 10 0 DGAERO Clc1ccc(I)c([C@H]2CCC[NH2+]2)c1 ZINC000229299585 432722170 /nfs/dbraw/zinc/72/21/70/432722170.db2.gz KNEDQKMGBKVDGQ-SNVBAGLBSA-N 1 0 307.562 3.369 10 0 DGAERO CCc1nc2c(s1)[C@H]([NH2+][C@H]1Cc3ccccc3[C@@H]1O)CCC2 ZINC000178358199 432725193 /nfs/dbraw/zinc/72/51/93/432725193.db2.gz CPTNFRWEKYTYGL-KMFMINBZSA-N 1 0 314.454 3.331 10 0 DGAERO COc1cccc([C@H]2CN(CCc3scnc3C)CCO2)c1 ZINC000177917606 432673432 /nfs/dbraw/zinc/67/34/32/432673432.db2.gz IUMIDNWTGQJGFB-MRXNPFEDSA-N 1 0 318.442 3.076 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccn(-c2ccccc2Cl)n1)[NH+](C)C ZINC000159209060 432673516 /nfs/dbraw/zinc/67/35/16/432673516.db2.gz FENOXUJUHINRLD-AWEZNQCLSA-N 1 0 320.824 3.195 10 0 DGAERO C[C@@H]([NH2+]CC1(O)CCOCC1)c1cccc(Cl)c1Cl ZINC000223115854 432675252 /nfs/dbraw/zinc/67/52/52/432675252.db2.gz DULVQIOMMQIWQS-SNVBAGLBSA-N 1 0 304.217 3.186 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c(F)c1 ZINC000178353406 432725480 /nfs/dbraw/zinc/72/54/80/432725480.db2.gz YCUUBNNDRGUJGR-NBHSMZAVSA-N 1 0 301.361 3.143 10 0 DGAERO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1C ZINC000178057824 432689560 /nfs/dbraw/zinc/68/95/60/432689560.db2.gz PAJCDVTXZDWMNZ-INIZCTEOSA-N 1 0 321.428 3.438 10 0 DGAERO C[N@H+](Cc1cc2ccccc2o1)[C@H]1CCCN(c2cccnn2)C1 ZINC000178529304 432749228 /nfs/dbraw/zinc/74/92/28/432749228.db2.gz JHDWOWYCEMQCCF-INIZCTEOSA-N 1 0 322.412 3.324 10 0 DGAERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178538970 432750043 /nfs/dbraw/zinc/75/00/43/432750043.db2.gz UPKIOBFGGVAKKM-ZDUSSCGKSA-N 1 0 317.820 3.050 10 0 DGAERO CC(C)(C)c1ccc(CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000236585164 432750312 /nfs/dbraw/zinc/75/03/12/432750312.db2.gz HJLRHVOQHPBGQS-NVXWUHKLSA-N 1 0 302.462 3.160 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2F)C1 ZINC000178535482 432751157 /nfs/dbraw/zinc/75/11/57/432751157.db2.gz SSBZPXPXZSZBLC-OCCSQVGLSA-N 1 0 310.388 3.059 10 0 DGAERO O[C@H]1C[C@@H](c2cc(F)ccc2F)N(c2ccncc2Cl)C1 ZINC000178559807 432751951 /nfs/dbraw/zinc/75/19/51/432751951.db2.gz WZEWILJQNGQIHY-BONVTDFDSA-N 1 0 310.731 3.326 10 0 DGAERO CCc1ccccc1C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000188961677 432755569 /nfs/dbraw/zinc/75/55/69/432755569.db2.gz HCTLSWHLAHSSEZ-QGZVFWFLSA-N 1 0 312.461 3.370 10 0 DGAERO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cnc(CC(C)C)s2)c1 ZINC000189016488 432759367 /nfs/dbraw/zinc/75/93/67/432759367.db2.gz KDZHMFLMFUXSQB-INIZCTEOSA-N 1 0 318.486 3.343 10 0 DGAERO Cn1nccc1C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189037439 432760507 /nfs/dbraw/zinc/76/05/07/432760507.db2.gz CFAOOWWUOMVRCN-UHFFFAOYSA-N 1 0 303.715 3.382 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cccc(OC(F)F)c1)CC2 ZINC000178690687 432766084 /nfs/dbraw/zinc/76/60/84/432766084.db2.gz INAJKMNPXICMBD-RHSMWYFYSA-N 1 0 311.372 3.415 10 0 DGAERO CCc1cccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000189205190 432770742 /nfs/dbraw/zinc/77/07/42/432770742.db2.gz NQKVGWYNDKFKNM-LJQANCHMSA-N 1 0 312.461 3.370 10 0 DGAERO Cc1ccc2ncc(C[NH2+]C[C@H]3CCO[C@@H]3C(C)(C)C)n2c1 ZINC000189238186 432771081 /nfs/dbraw/zinc/77/10/81/432771081.db2.gz UBFCTBPXAUSORE-PBHICJAKSA-N 1 0 301.434 3.184 10 0 DGAERO CSCCCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189222070 432772523 /nfs/dbraw/zinc/77/25/23/432772523.db2.gz WTPSDHGVPNFZPF-UHFFFAOYSA-N 1 0 307.438 3.303 10 0 DGAERO CCc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc1CC ZINC000134427687 292669181 /nfs/dbraw/zinc/66/91/81/292669181.db2.gz OLVSWFVUOCJFRP-UHFFFAOYSA-N 1 0 306.450 3.443 10 0 DGAERO CO[C@@H]1CN(Cc2sc(C)nc2C(F)(F)F)CC[C@@H]1C ZINC000189287320 432774938 /nfs/dbraw/zinc/77/49/38/432774938.db2.gz WIHUBDUJYCYNIF-WCBMZHEXSA-N 1 0 308.369 3.327 10 0 DGAERO Cc1ccc(NC(=O)c2cn3ccnc3s2)c(C[NH+](C)C)c1 ZINC000188497487 432729014 /nfs/dbraw/zinc/72/90/14/432729014.db2.gz XNWUSHSBDIIKMX-UHFFFAOYSA-N 1 0 314.414 3.018 10 0 DGAERO CC[N@@H+]1CCC[C@@H](Nc2nc(-c3cccnc3)nc(C)c2C)C1 ZINC000178399142 432732011 /nfs/dbraw/zinc/73/20/11/432732011.db2.gz KGYTYZPHEIXZHY-MRXNPFEDSA-N 1 0 311.433 3.052 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183579699 292670635 /nfs/dbraw/zinc/67/06/35/292670635.db2.gz JIFDIRASGRUAJN-JKSUJKDBSA-N 1 0 323.440 3.474 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)cc1NC(C)=O ZINC000178434446 432734887 /nfs/dbraw/zinc/73/48/87/432734887.db2.gz AQZUFISROBHWRH-DOMZBBRYSA-N 1 0 322.449 3.101 10 0 DGAERO CC(C)C[C@@H](C[NH3+])Nc1ncc(Br)cc1Cl ZINC000232610334 432735667 /nfs/dbraw/zinc/73/56/67/432735667.db2.gz DQUPWEGHAJYDEF-VIFPVBQESA-N 1 0 306.635 3.283 10 0 DGAERO CCOC(=O)COCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000232435823 432736388 /nfs/dbraw/zinc/73/63/88/432736388.db2.gz RMBYKHIVUFCZGK-SNVBAGLBSA-N 1 0 320.216 3.224 10 0 DGAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)C3CCC3)C2)c1 ZINC000178443185 432737170 /nfs/dbraw/zinc/73/71/70/432737170.db2.gz CKVXTZAFTHJGES-HUUCEWRRSA-N 1 0 318.461 3.308 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000275681016 432740687 /nfs/dbraw/zinc/74/06/87/432740687.db2.gz WGNCESWMGYPPKA-WQQJMYJYSA-N 1 0 311.429 3.333 10 0 DGAERO C[C@@H]([NH2+]CCC1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178509077 432744788 /nfs/dbraw/zinc/74/47/88/432744788.db2.gz UNVVBMBLHJFOIN-CYBMUJFWSA-N 1 0 310.463 3.289 10 0 DGAERO Fc1cccc(C[NH2+]CC[C@H]2CCOC2)c1Br ZINC000236186217 432745814 /nfs/dbraw/zinc/74/58/14/432745814.db2.gz WMVRUKZKJTXRPL-JTQLQIEISA-N 1 0 302.187 3.104 10 0 DGAERO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)n1 ZINC000178517677 432746551 /nfs/dbraw/zinc/74/65/51/432746551.db2.gz NAUCUNPKRCBJTQ-LBPRGKRZSA-N 1 0 317.389 3.205 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)O1 ZINC000189739864 432815939 /nfs/dbraw/zinc/81/59/39/432815939.db2.gz JVAMHSJUUVWJBD-GFCCVEGCSA-N 1 0 311.809 3.158 10 0 DGAERO C[NH+](C)C1CCN(C(=O)C2(Cc3ccccc3Cl)CC2)CC1 ZINC000189762681 432818101 /nfs/dbraw/zinc/81/81/01/432818101.db2.gz MUXCVJIEQASXFY-UHFFFAOYSA-N 1 0 320.864 3.215 10 0 DGAERO C[C@H](C(=O)N1CCC[C@H](C(F)(F)F)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203580 432825007 /nfs/dbraw/zinc/82/50/07/432825007.db2.gz SSXBXWWFIGPTBJ-XQHKEYJVSA-N 1 0 306.372 3.049 10 0 DGAERO CC(C)c1ccc(C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000162615293 432828845 /nfs/dbraw/zinc/82/88/45/432828845.db2.gz YHPZFMXOULCXKU-OAHLLOKOSA-N 1 0 323.502 3.455 10 0 DGAERO CCc1ccccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000245439659 432830369 /nfs/dbraw/zinc/83/03/69/432830369.db2.gz ZYJVUYQRIMEIDS-CVEARBPZSA-N 1 0 301.434 3.340 10 0 DGAERO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)N1CCC[C@@H](C(F)(F)F)C1 ZINC000245438875 432831051 /nfs/dbraw/zinc/83/10/51/432831051.db2.gz FPQCGOMILKDNQA-MJBXVCDLSA-N 1 0 318.383 3.052 10 0 DGAERO C[C@H](C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)CS(C)(=O)=O ZINC000162728019 432832400 /nfs/dbraw/zinc/83/24/00/432832400.db2.gz ZAXVRRXWDUEFQI-NEPJUHHUSA-N 1 0 303.855 3.014 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000162693919 432832595 /nfs/dbraw/zinc/83/25/95/432832595.db2.gz HUVGJQYJIAGGIS-SMDDNHRTSA-N 1 0 303.855 3.061 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1c(F)cccc1Br ZINC000277280223 432833819 /nfs/dbraw/zinc/83/38/19/432833819.db2.gz BCURPDCWGNGWMP-RNCFNFMXSA-N 1 0 302.187 3.103 10 0 DGAERO CO[C@@H](C)c1nc(CN2CCC[C@@H](n3cc(C)cn3)C2)cs1 ZINC000245460821 432834738 /nfs/dbraw/zinc/83/47/38/432834738.db2.gz FKJPYXGNZCGXLA-DZGCQCFKSA-N 1 0 320.462 3.193 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000245471205 432835240 /nfs/dbraw/zinc/83/52/40/432835240.db2.gz NRKAMFBAAPQLCP-CHWSQXEVSA-N 1 0 320.462 3.275 10 0 DGAERO C[C@@H]1CCC[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000245497285 432836633 /nfs/dbraw/zinc/83/66/33/432836633.db2.gz TXIKBNKEROHSRB-YDZMOUMUSA-N 1 0 307.482 3.222 10 0 DGAERO CC(C)c1noc([C@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000245495238 432837208 /nfs/dbraw/zinc/83/72/08/432837208.db2.gz PBWAUPDOZGHSLB-ZNMIVQPWSA-N 1 0 306.454 3.201 10 0 DGAERO O=C(NCCC1=CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178864368 432783107 /nfs/dbraw/zinc/78/31/07/432783107.db2.gz PXQQTXBLTRQAPX-UHFFFAOYSA-N 1 0 305.466 3.147 10 0 DGAERO Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@H](n3cncn3)C1)CCC2 ZINC000245504958 432838219 /nfs/dbraw/zinc/83/82/19/432838219.db2.gz FLUNDCKGSOQQSF-WBVHZDCISA-N 1 0 300.381 3.132 10 0 DGAERO CC(C)c1ncc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000161560547 432786511 /nfs/dbraw/zinc/78/65/11/432786511.db2.gz JJQHMXSXARXFSZ-UHFFFAOYSA-N 1 0 321.490 3.215 10 0 DGAERO CC(C)C(C)(C)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000189446866 432786888 /nfs/dbraw/zinc/78/68/88/432786888.db2.gz ADIPTUXBXFRRFB-UHFFFAOYSA-N 1 0 306.450 3.039 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000178952094 432790786 /nfs/dbraw/zinc/79/07/86/432790786.db2.gz IMJPCAKOXCURGX-IEBWSBKVSA-N 1 0 322.456 3.421 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1cccc(Cl)c1 ZINC000189512388 432795143 /nfs/dbraw/zinc/79/51/43/432795143.db2.gz SQADMSHMKVHKNG-GJZGRUSLSA-N 1 0 318.852 3.447 10 0 DGAERO NC(=O)N1CCC([NH2+][C@H](CC2CCCC2)c2ccccc2)CC1 ZINC000179023963 432796720 /nfs/dbraw/zinc/79/67/20/432796720.db2.gz KVZBAHMFACZDOB-GOSISDBHSA-N 1 0 315.461 3.441 10 0 DGAERO CC[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc(Cl)c1F ZINC000161772324 432797267 /nfs/dbraw/zinc/79/72/67/432797267.db2.gz XEUBBSZJRCVZDY-GDBMZVCRSA-N 1 0 315.816 3.309 10 0 DGAERO [NH3+]CCC(=O)NC(CCc1ccccc1)CCc1ccccc1 ZINC000237852521 432801726 /nfs/dbraw/zinc/80/17/26/432801726.db2.gz CNDDOBCZGRJGSF-UHFFFAOYSA-N 1 0 310.441 3.086 10 0 DGAERO Cc1cc(-c2csc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)n2)c(C)o1 ZINC000237881355 432802759 /nfs/dbraw/zinc/80/27/59/432802759.db2.gz LIEDUARGKGCFCF-MNOVXSKESA-N 1 0 305.403 3.086 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2(c3c(F)cccc3F)CCCC2)C1 ZINC000237892096 432803405 /nfs/dbraw/zinc/80/34/05/432803405.db2.gz NEIUVWHQDLTPAE-STQMWFEESA-N 1 0 322.399 3.020 10 0 DGAERO Cc1cccc(CN(Cc2ccccn2)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237940656 432805298 /nfs/dbraw/zinc/80/52/98/432805298.db2.gz RCUJXWISFYMUNF-QZTJIDSGSA-N 1 0 323.440 3.046 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000237941535 432806027 /nfs/dbraw/zinc/80/60/27/432806027.db2.gz GCWZAAMSWSXYBS-SJLPKXTDSA-N 1 0 324.424 3.009 10 0 DGAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cc1ccccc1 ZINC000237966509 432807216 /nfs/dbraw/zinc/80/72/16/432807216.db2.gz GZSLDHWFAMZQQP-DFNIBXOVSA-N 1 0 320.436 3.290 10 0 DGAERO C[C@@H](c1cccc(F)c1)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189740606 432815666 /nfs/dbraw/zinc/81/56/66/432815666.db2.gz OUFBGPZORLWOBV-YJBOKZPZSA-N 1 0 306.425 3.073 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C(C)=C/c2ccccc2)C[C@H]1C ZINC000245745645 432860259 /nfs/dbraw/zinc/86/02/59/432860259.db2.gz MPMYVZHZRUJYEM-UWXVCKHVSA-N 1 0 302.462 3.133 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245754120 432861199 /nfs/dbraw/zinc/86/11/99/432861199.db2.gz HJRFEQHXJNBWOZ-ZFWWWQNUSA-N 1 0 324.900 3.113 10 0 DGAERO Cc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)ccc1Oc1cccnc1 ZINC000245788508 432862750 /nfs/dbraw/zinc/86/27/50/432862750.db2.gz VSIMUVGQGWDQBW-SFHVURJKSA-N 1 0 323.440 3.462 10 0 DGAERO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCO[C@H]21 ZINC000245841730 432865737 /nfs/dbraw/zinc/86/57/37/432865737.db2.gz DOKZCEZLKBZALX-NUEKZKHPSA-N 1 0 322.836 3.072 10 0 DGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000245869067 432866221 /nfs/dbraw/zinc/86/62/21/432866221.db2.gz IZRKQNDLRNQESW-RRFJBIMHSA-N 1 0 320.481 3.105 10 0 DGAERO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000245940929 432871732 /nfs/dbraw/zinc/87/17/32/432871732.db2.gz UJSJVXFVDVEVNW-YJBOKZPZSA-N 1 0 313.445 3.468 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2C)[C@@H](C)C1 ZINC000245957726 432872164 /nfs/dbraw/zinc/87/21/64/432872164.db2.gz CGEYGUDCGGXWEI-BBRMVZONSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245963480 432873402 /nfs/dbraw/zinc/87/34/02/432873402.db2.gz YBHFEHZDHIEOCS-UYTYNIKBSA-N 1 0 304.478 3.288 10 0 DGAERO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CCCC[C@H]1O ZINC000245990978 432873796 /nfs/dbraw/zinc/87/37/96/432873796.db2.gz QRSOFXQRVDKUBH-WMLDXEAASA-N 1 0 317.408 3.199 10 0 DGAERO CCCCC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000245545215 432841390 /nfs/dbraw/zinc/84/13/90/432841390.db2.gz LQZNGUHAELWXHX-MJGOQNOKSA-N 1 0 316.445 3.279 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCc3cccc(C)c3)[C@@H]2C1 ZINC000245552783 432842822 /nfs/dbraw/zinc/84/28/22/432842822.db2.gz QSAFRUPXEJVFNM-QRVBRYPASA-N 1 0 303.446 3.196 10 0 DGAERO c1csc(Cn2cccc2CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000245564763 432844363 /nfs/dbraw/zinc/84/43/63/432844363.db2.gz QXEZSOIAFDGDJC-INIZCTEOSA-N 1 0 315.486 3.268 10 0 DGAERO c1nc(C2CCCC2)sc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245557243 432844636 /nfs/dbraw/zinc/84/46/36/432844636.db2.gz JPWBAXRTPDNTAG-HNNXBMFYSA-N 1 0 305.491 3.471 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245568049 432846251 /nfs/dbraw/zinc/84/62/51/432846251.db2.gz YASDNJFXFPEJIM-YCPHGPKFSA-N 1 0 322.880 3.460 10 0 DGAERO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1n1ccnc1 ZINC000245597782 432848906 /nfs/dbraw/zinc/84/89/06/432848906.db2.gz LVQBNVFFONXJJH-KBRIMQKVSA-N 1 0 319.836 3.153 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCOCC(C)C)cc1NC(C)=O ZINC000163302098 432850051 /nfs/dbraw/zinc/85/00/51/432850051.db2.gz BXEXMFRXMBJBIA-CQSZACIVSA-N 1 0 322.449 3.367 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000245637864 432851110 /nfs/dbraw/zinc/85/11/10/432851110.db2.gz JXFMIORKDUYYMQ-IAGOWNOFSA-N 1 0 313.376 3.393 10 0 DGAERO C[C@H](CCCc1ccccc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245636629 432851515 /nfs/dbraw/zinc/85/15/15/432851515.db2.gz CEMUECHZWLMEOX-LMMKCTJWSA-N 1 0 314.473 3.341 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ncc(Br)s2)C1 ZINC000245656255 432852769 /nfs/dbraw/zinc/85/27/69/432852769.db2.gz LJLSSZXYDSHESB-NXEZZACHSA-N 1 0 318.284 3.041 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H]1c1ccccc1 ZINC000245647927 432852842 /nfs/dbraw/zinc/85/28/42/432852842.db2.gz MBBMSJIBOLLPDC-IAGOWNOFSA-N 1 0 301.434 3.064 10 0 DGAERO CCCCC[C@H](CC)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000245645595 432853161 /nfs/dbraw/zinc/85/31/61/432853161.db2.gz FUALIMSHLPYBBS-IRXDYDNUSA-N 1 0 324.509 3.305 10 0 DGAERO Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245673601 432854492 /nfs/dbraw/zinc/85/44/92/432854492.db2.gz SQSIYTYLYXBAAC-OALUTQOASA-N 1 0 323.440 3.240 10 0 DGAERO CSc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000163527788 432855061 /nfs/dbraw/zinc/85/50/61/432855061.db2.gz PLOYHWJVGIPQLG-DGCLKSJQSA-N 1 0 310.438 3.102 10 0 DGAERO COCc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000245683514 432855946 /nfs/dbraw/zinc/85/59/46/432855946.db2.gz AEWONYLCHWKTKE-MOPGFXCFSA-N 1 0 302.462 3.280 10 0 DGAERO COc1cccc(CCC[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000245704068 432856858 /nfs/dbraw/zinc/85/68/58/432856858.db2.gz RUMHCWWVQIUBKW-VQIMIIECSA-N 1 0 313.445 3.407 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)c1c(F)cccc1F ZINC000245713193 432858260 /nfs/dbraw/zinc/85/82/60/432858260.db2.gz UFVORTINKYSUQV-MJBXVCDLSA-N 1 0 322.399 3.154 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000296820628 432927980 /nfs/dbraw/zinc/92/79/80/432927980.db2.gz NIDGSFJKQPNTPL-BXKDBHETSA-N 1 0 302.187 3.103 10 0 DGAERO CCCC[C@@H](NC1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC000154836720 292691164 /nfs/dbraw/zinc/69/11/64/292691164.db2.gz UXVNBLKFKQMOMK-MRXNPFEDSA-N 1 0 312.498 3.349 10 0 DGAERO CC(C)c1nccnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000349512151 432970413 /nfs/dbraw/zinc/97/04/13/432970413.db2.gz WSLLKQOLZZGTBZ-UHFFFAOYSA-N 1 0 310.445 3.677 10 0 DGAERO c1c(C[NH2+]CC2(Cc3ccccc3)CCC2)nc2ncccn12 ZINC000297285744 432987416 /nfs/dbraw/zinc/98/74/16/432987416.db2.gz ACFDKNQNNGYJMG-UHFFFAOYSA-N 1 0 306.413 3.232 10 0 DGAERO C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CCCCN1C1CC1 ZINC000341387737 433044661 /nfs/dbraw/zinc/04/46/61/433044661.db2.gz YTKBYIPMZMKPSL-VXNCWWDNSA-N 1 0 306.494 3.188 10 0 DGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3csc4ccccc34)C[C@@H]12 ZINC000333116830 433033700 /nfs/dbraw/zinc/03/37/00/433033700.db2.gz FYNSDNOMQAXEPM-CYZMBNFOSA-N 1 0 301.415 3.102 10 0 DGAERO O=C(Nc1csc2ccccc12)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333123151 433035001 /nfs/dbraw/zinc/03/50/01/433035001.db2.gz GWEFYNPJHUVDTD-RWMBFGLXSA-N 1 0 315.442 3.411 10 0 DGAERO Cc1nc(CC(C)C)c(NC(=O)N(C)[C@H]2CCC[NH2+]CC2)s1 ZINC000333181515 433037542 /nfs/dbraw/zinc/03/75/42/433037542.db2.gz RZOSLYLDQMSNKC-ZDUSSCGKSA-N 1 0 324.494 3.256 10 0 DGAERO CCCC1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000155283273 292703490 /nfs/dbraw/zinc/70/34/90/292703490.db2.gz XBEXDGDHLFIACK-UHFFFAOYSA-N 1 0 321.509 3.474 10 0 DGAERO Cc1ccc(C)c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000155303956 292703960 /nfs/dbraw/zinc/70/39/60/292703960.db2.gz SIAJYYMJYIEFRS-SFHVURJKSA-N 1 0 310.441 3.206 10 0 DGAERO CC(C)Sc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000155547711 292709680 /nfs/dbraw/zinc/70/96/80/292709680.db2.gz FHJQNJJVXXMKLF-KBPBESRZSA-N 1 0 306.475 3.352 10 0 DGAERO COC[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)C1CCCC1 ZINC000446745131 433099613 /nfs/dbraw/zinc/09/96/13/433099613.db2.gz LVIMGVIEZDWDKT-LJQANCHMSA-N 1 0 313.445 3.226 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CN1Cc1ccccc1 ZINC000341472941 433078599 /nfs/dbraw/zinc/07/85/99/433078599.db2.gz AXWLSKOTBURNBW-TVKQPGBESA-N 1 0 316.489 3.443 10 0 DGAERO CC(C)[C@@H]1C[C@@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)c2ccccc21 ZINC000333702394 433089756 /nfs/dbraw/zinc/08/97/56/433089756.db2.gz DNHMWGRCCKECKN-USJZOSNVSA-N 1 0 315.461 3.045 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)[C@H](C)O ZINC000453331330 433093432 /nfs/dbraw/zinc/09/34/32/433093432.db2.gz TXHCRVDZMNCNOB-WFBYXXMGSA-N 1 0 302.340 3.227 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2O)c2ccccc2C1 ZINC000373120420 433097763 /nfs/dbraw/zinc/09/77/63/433097763.db2.gz GCSANBHNHGOWJN-IBGZPJMESA-N 1 0 324.424 3.018 10 0 DGAERO COc1cc(C)cc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1C ZINC000373219299 433134329 /nfs/dbraw/zinc/13/43/29/433134329.db2.gz JXYFIMUKZNEESB-HNNXBMFYSA-N 1 0 317.433 3.014 10 0 DGAERO O[C@H]1C[C@@H]([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000453382078 433139558 /nfs/dbraw/zinc/13/95/58/433139558.db2.gz YZSQUDCHNHJIJX-BBWFWOEESA-N 1 0 302.805 3.132 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(Cl)cc(Cl)c1 ZINC000453387142 433145809 /nfs/dbraw/zinc/14/58/09/433145809.db2.gz AXUFLEOBKGKWEU-LKFCYVNXSA-N 1 0 301.217 3.313 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@]4(CCSC4)C3)C2)cc1 ZINC000453343174 433110311 /nfs/dbraw/zinc/11/03/11/433110311.db2.gz DNKYHPQHRQJOIO-RBUKOAKNSA-N 1 0 316.514 3.480 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)[C@H]1c1ccccc1 ZINC000373172321 433112808 /nfs/dbraw/zinc/11/28/08/433112808.db2.gz BJMGBPUMSBGTKP-HNAYVOBHSA-N 1 0 304.397 3.460 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298376717 433114036 /nfs/dbraw/zinc/11/40/36/433114036.db2.gz VIAVKGUACCEJML-JKSUJKDBSA-N 1 0 309.356 3.245 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)ccc2F)C[C@@H]1C ZINC000447135959 433164367 /nfs/dbraw/zinc/16/43/67/433164367.db2.gz KKIAWZKNQALCBR-STQMWFEESA-N 1 0 323.412 3.171 10 0 DGAERO c1ccc(COc2cccnc2N2CC[NH+](C3CCC3)CC2)cc1 ZINC000354583367 433165311 /nfs/dbraw/zinc/16/53/11/433165311.db2.gz VKMWGOGFZTYGGT-UHFFFAOYSA-N 1 0 323.440 3.335 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000361456007 433182636 /nfs/dbraw/zinc/18/26/36/433182636.db2.gz HFIIUECUOKBNCX-DSLXNQLJSA-N 1 0 302.462 3.197 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H](O)CC1CCCC1)CC2 ZINC000354670143 433211698 /nfs/dbraw/zinc/21/16/98/433211698.db2.gz VAMWDATXENFWMO-HXUWFJFHSA-N 1 0 315.457 3.231 10 0 DGAERO C[C@H]1C[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000290984658 433214908 /nfs/dbraw/zinc/21/49/08/433214908.db2.gz YYTPGTRQQGDTFV-WKEGUHRASA-N 1 0 320.028 3.105 10 0 DGAERO CS[C@@H]1CN(C(=O)[C@H]2CCCCC2(C)C)C[C@H]1[NH+]1CCCC1 ZINC000447531868 433216198 /nfs/dbraw/zinc/21/61/98/433216198.db2.gz TYCGPWCITFWUER-BZUAXINKSA-N 1 0 324.534 3.241 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]CC1(C2CCC2)CCC1 ZINC000453584279 433218079 /nfs/dbraw/zinc/21/80/79/433218079.db2.gz LSKXMDSBTLKSKI-UHFFFAOYSA-N 1 0 310.445 3.386 10 0 DGAERO CCC(CC)n1ccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)n1 ZINC000361510319 433218321 /nfs/dbraw/zinc/21/83/21/433218321.db2.gz HFZHTLTZQWJOKN-GOSISDBHSA-N 1 0 321.465 3.014 10 0 DGAERO c1ccc(-c2ccc(CN3CC[C@H]([NH+]4CCCCC4)C3)cn2)nc1 ZINC000425398859 433222408 /nfs/dbraw/zinc/22/24/08/433222408.db2.gz CRMDETQRWFIMJI-SFHVURJKSA-N 1 0 322.456 3.204 10 0 DGAERO CC1(C)C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@]2(CCOC2)O1 ZINC000361530554 433227805 /nfs/dbraw/zinc/22/78/05/433227805.db2.gz YZQIIDNUYARDMZ-AEFFLSMTSA-N 1 0 305.393 3.083 10 0 DGAERO CO[C@H]1CC[C@@H]([NH2+]Cc2sc(C)cc2Br)C1 ZINC000453610082 433232846 /nfs/dbraw/zinc/23/28/46/433232846.db2.gz QOWLMZSCFBJOFV-ZJUUUORDSA-N 1 0 304.253 3.476 10 0 DGAERO c1cn(-c2ccccc2)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)n1 ZINC000361548195 433241750 /nfs/dbraw/zinc/24/17/50/433241750.db2.gz IPEXEEYFUQNWCX-IBGZPJMESA-N 1 0 311.429 3.265 10 0 DGAERO Brc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)o1 ZINC000361554815 433245541 /nfs/dbraw/zinc/24/55/41/433245541.db2.gz VNGJECVXRBSMMQ-PWSUYJOCSA-N 1 0 300.196 3.043 10 0 DGAERO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)O1 ZINC000453629166 433249960 /nfs/dbraw/zinc/24/99/60/433249960.db2.gz LBHALAZFSGKLSK-BBRMVZONSA-N 1 0 305.418 3.299 10 0 DGAERO O[C@@H]1[C@H](C[NH2+][C@H]2CCCc3sccc32)CCC12CCOCC2 ZINC000374749867 433271654 /nfs/dbraw/zinc/27/16/54/433271654.db2.gz JTIITASVNHGLQU-JLJPHGGASA-N 1 0 321.486 3.283 10 0 DGAERO c1cc(C[NH2+]CCCOc2ccccc2)n(-c2ccccc2)n1 ZINC000447929834 433325828 /nfs/dbraw/zinc/32/58/28/433325828.db2.gz JJCRDBKTOTZCHT-UHFFFAOYSA-N 1 0 307.397 3.431 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000361749498 433370496 /nfs/dbraw/zinc/37/04/96/433370496.db2.gz FHUXOXPEJNZODU-CABCVRRESA-N 1 0 312.413 3.017 10 0 DGAERO c1nc(-c2ccccc2)sc1CN1CCO[C@@H](C2CC2)C1 ZINC000375322101 433426955 /nfs/dbraw/zinc/42/69/55/433426955.db2.gz ZBDGFKNIZPANJB-MRXNPFEDSA-N 1 0 300.427 3.421 10 0 DGAERO c1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)n(-c2ccccc2)n1 ZINC000448338333 433386005 /nfs/dbraw/zinc/38/60/05/433386005.db2.gz AUXOSDJKCLMPGZ-IBGZPJMESA-N 1 0 311.429 3.263 10 0 DGAERO c1ccc2c(c1)CO[C@@]21CCCN(CCC[NH+]2CCCCC2)C1 ZINC000375253174 433396572 /nfs/dbraw/zinc/39/65/72/433396572.db2.gz REMAHYAFBWNBCQ-HXUWFJFHSA-N 1 0 314.473 3.384 10 0 DGAERO c1coc(-c2ncc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)s2)c1 ZINC000375301064 433418361 /nfs/dbraw/zinc/41/83/61/433418361.db2.gz DUDHDVOXKYQVIS-MRXNPFEDSA-N 1 0 304.415 3.406 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Cl)cc(Cl)c1 ZINC000361929467 433455668 /nfs/dbraw/zinc/45/56/68/433455668.db2.gz NJABEVFKPSDBEF-VIFPVBQESA-N 1 0 324.211 3.338 10 0 DGAERO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375414667 433457894 /nfs/dbraw/zinc/45/78/94/433457894.db2.gz MQWUQXKFYILZIN-CQSZACIVSA-N 1 0 301.365 3.384 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)NCCC1CC[NH+](C)CC1 ZINC000159109679 292784273 /nfs/dbraw/zinc/78/42/73/292784273.db2.gz STDNZPSSRHYNGX-UHFFFAOYSA-N 1 0 313.445 3.246 10 0 DGAERO c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000355108527 433467280 /nfs/dbraw/zinc/46/72/80/433467280.db2.gz ODCSYCLZTSMAEJ-BBRMVZONSA-N 1 0 315.442 3.206 10 0 DGAERO CC1CCC([NH+]2CCN(c3ncnc4ccccc43)CC2)CC1 ZINC000301251180 433473099 /nfs/dbraw/zinc/47/30/99/433473099.db2.gz CEJUCWQMHJUDHP-UHFFFAOYSA-N 1 0 310.445 3.331 10 0 DGAERO C[C@H]1CC(NC(=O)N2CCC([NH+]3CCCC3)CC2)C[C@H](C)C1 ZINC000172515009 290344729 /nfs/dbraw/zinc/34/47/29/290344729.db2.gz FXHFJXOIPHTSQM-HUUCEWRRSA-N 1 0 307.482 3.081 10 0 DGAERO Cc1ccc2ncnc(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000301355239 433522684 /nfs/dbraw/zinc/52/26/84/433522684.db2.gz KGGCYROSIDTKSA-UHFFFAOYSA-N 1 0 310.445 3.250 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C)c(Cl)c2Cl)C1 ZINC000448761044 433534569 /nfs/dbraw/zinc/53/45/69/433534569.db2.gz IDBDSPOYMFJFBT-NSHDSACASA-N 1 0 315.244 3.373 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](CCc3ccccn3)C2)n2c1CCCC2 ZINC000282083893 433491465 /nfs/dbraw/zinc/49/14/65/433491465.db2.gz OEZJZWQSHGXBMO-MRXNPFEDSA-N 1 0 310.445 3.037 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](CCc3ccccn3)C2)n2c1CCCC2 ZINC000282083889 433492861 /nfs/dbraw/zinc/49/28/61/433492861.db2.gz OEZJZWQSHGXBMO-INIZCTEOSA-N 1 0 310.445 3.037 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCc1nnc[nH]1 ZINC000342156271 433505311 /nfs/dbraw/zinc/50/53/11/433505311.db2.gz DPUBNXBVUQXSIG-YRNVUSSQSA-N 1 0 310.323 3.059 10 0 DGAERO C[N@H+](CCNc1c(F)c(F)nc(F)c1F)C1CCCCC1 ZINC000301606528 433632358 /nfs/dbraw/zinc/63/23/58/433632358.db2.gz NFIPDHWTMNCRRE-UHFFFAOYSA-N 1 0 305.319 3.314 10 0 DGAERO CCC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1Cl)[NH+](C)C ZINC000161898966 292843360 /nfs/dbraw/zinc/84/33/60/292843360.db2.gz DUABPZDRSYFFBA-QMTHXVAHSA-N 1 0 300.805 3.387 10 0 DGAERO c1ncn(-c2ccc(C[NH2+][C@@H]3C[C@@H](c4ccccc4)C3)cc2)n1 ZINC000376001985 433636930 /nfs/dbraw/zinc/63/69/30/433636930.db2.gz AHUUKOMKDPMJEX-IYARVYRRSA-N 1 0 304.397 3.303 10 0 DGAERO CN(C)c1ncc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)cn1 ZINC000376002608 433639022 /nfs/dbraw/zinc/63/90/22/433639022.db2.gz DFCRLPLECBQHNQ-KOMQPUFPSA-N 1 0 316.836 3.232 10 0 DGAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000309541748 292888032 /nfs/dbraw/zinc/88/80/32/292888032.db2.gz MEMIBJOEJHAMSJ-NVXWUHKLSA-N 1 0 300.446 3.203 10 0 DGAERO Cc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000376058393 433656713 /nfs/dbraw/zinc/65/67/13/433656713.db2.gz PPZNUXSRBJYHRB-BEFAXECRSA-N 1 0 313.445 3.026 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449017103 433664584 /nfs/dbraw/zinc/66/45/84/433664584.db2.gz GYBSYEDYIDUNDW-CABCVRRESA-N 1 0 309.475 3.316 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000342414733 433672206 /nfs/dbraw/zinc/67/22/06/433672206.db2.gz JWIYUOPUVPUYPY-OAHLLOKOSA-N 1 0 305.381 3.343 10 0 DGAERO Cc1cc(NC[C@H](C)[N@@H+]2CCOC[C@H]2C)c2cccc(F)c2n1 ZINC000301695485 433684278 /nfs/dbraw/zinc/68/42/78/433684278.db2.gz YOHLOXDFUBYXMX-UONOGXRCSA-N 1 0 317.408 3.203 10 0 DGAERO c1c(C[NH2+]C[C@H]2COc3ccccc32)[nH]nc1-c1ccccc1 ZINC000342425259 433684900 /nfs/dbraw/zinc/68/49/00/433684900.db2.gz GSDGDUSAMQFTQO-HNNXBMFYSA-N 1 0 305.381 3.343 10 0 DGAERO COc1ccc([C@H](CNc2nnc(C3CC3)s2)[NH+](C)C)cc1 ZINC000301713760 433692285 /nfs/dbraw/zinc/69/22/85/433692285.db2.gz ZBNQWLZOINUAFT-AWEZNQCLSA-N 1 0 318.446 3.139 10 0 DGAERO CCC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)C1CCCCC1 ZINC000367413905 293069132 /nfs/dbraw/zinc/06/91/32/293069132.db2.gz XLFPSQLLMAQDTJ-MSOLQXFVSA-N 1 0 322.493 3.105 10 0 DGAERO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000376216218 433694280 /nfs/dbraw/zinc/69/42/80/433694280.db2.gz QRKDDBYPNXZJTP-OAHLLOKOSA-N 1 0 322.412 3.054 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2COc3ccccc32)n(-c2ccccc2)n1 ZINC000342451909 433699997 /nfs/dbraw/zinc/69/99/97/433699997.db2.gz PSQANALSPNXGEZ-OAHLLOKOSA-N 1 0 305.381 3.138 10 0 DGAERO c1cn(-c2ccccc2)nc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000370719238 293185778 /nfs/dbraw/zinc/18/57/78/293185778.db2.gz JSTAMYGJMMBQLW-SFHVURJKSA-N 1 0 318.424 3.332 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCCC[C@H]2[C@H](C)[NH3+])s1 ZINC000262244654 293204081 /nfs/dbraw/zinc/20/40/81/293204081.db2.gz WLASILAHWOADCI-WPRPVWTQSA-N 1 0 307.385 3.172 10 0 DGAERO c1ccc2c(c1)C=C(C[N@H+]1CC[C@H](Cc3ccncc3)C1)CO2 ZINC000371681603 293223574 /nfs/dbraw/zinc/22/35/74/293223574.db2.gz RVIBRLNLRLHZSY-QGZVFWFLSA-N 1 0 306.409 3.422 10 0 DGAERO CCCc1occc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374061006 293348426 /nfs/dbraw/zinc/34/84/26/293348426.db2.gz JGLBCTCJJLAXID-UHFFFAOYSA-N 1 0 304.434 3.180 10 0 DGAERO O=C(CC/C=C/c1ccccc1)N1CCN[C@H](c2ccncc2)C1 ZINC000374383093 293391914 /nfs/dbraw/zinc/39/19/14/293391914.db2.gz CXRQUMBDDWLDII-AMGQUURNSA-N 1 0 321.424 3.048 10 0 DGAERO Brc1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cs1 ZINC000374387214 293393767 /nfs/dbraw/zinc/39/37/67/293393767.db2.gz AWZWZDWHMPXJPN-VXGBXAGGSA-N 1 0 316.264 3.369 10 0 DGAERO CCCc1cc(N[C@@H]2CCN(C(=O)OC)C2)c2ccccc2[nH+]1 ZINC000301781784 433718628 /nfs/dbraw/zinc/71/86/28/433718628.db2.gz JDIFBPSVKZSPMM-CQSZACIVSA-N 1 0 313.401 3.440 10 0 DGAERO c1cn2c(cccc2C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)n1 ZINC000374498380 293408672 /nfs/dbraw/zinc/40/86/72/293408672.db2.gz VCLVZARTTLWZQA-VQIMIIECSA-N 1 0 307.397 3.202 10 0 DGAERO c1cc(CN2CCOCC2)ccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000449063934 433720320 /nfs/dbraw/zinc/72/03/20/433720320.db2.gz RYQPXSHUCWGREW-IBGZPJMESA-N 1 0 314.473 3.331 10 0 DGAERO Cc1nc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC000283460055 433727024 /nfs/dbraw/zinc/72/70/24/433727024.db2.gz VIFMMNMLGSXJMC-GHMZBOCLSA-N 1 0 313.467 3.358 10 0 DGAERO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)N(CC)CC)o1 ZINC000362454088 433729588 /nfs/dbraw/zinc/72/95/88/433729588.db2.gz YTDIEOGFTLXVLA-ZBFHGGJFSA-N 1 0 306.450 3.483 10 0 DGAERO CCc1nc2sccc2c(N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)n1 ZINC000301828367 433743152 /nfs/dbraw/zinc/74/31/52/433743152.db2.gz GFHSPHQGIRBYGW-TZMCWYRMSA-N 1 0 318.490 3.420 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374792742 293446730 /nfs/dbraw/zinc/44/67/30/293446730.db2.gz KXTNSUYEUOOOJX-CAMMJAKZSA-N 1 0 317.473 3.336 10 0 DGAERO COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@]2(C1)CCCOC2 ZINC000376473272 433747874 /nfs/dbraw/zinc/74/78/74/433747874.db2.gz HICWLQHKRPAHNS-GOSISDBHSA-N 1 0 316.376 3.389 10 0 DGAERO COc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1OC ZINC000356900116 433757077 /nfs/dbraw/zinc/75/70/77/433757077.db2.gz OKOFXHMZYORQKF-GOEBONIOSA-N 1 0 307.434 3.041 10 0 DGAERO Fc1ccc(CC[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1F ZINC000376532805 433765306 /nfs/dbraw/zinc/76/53/06/433765306.db2.gz NQYHLMMOHWTWHV-MRXNPFEDSA-N 1 0 318.367 3.193 10 0 DGAERO c1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)n(-c2ccccc2)n1 ZINC000293559177 433783166 /nfs/dbraw/zinc/78/31/66/433783166.db2.gz FVXCMSIOUTVBOX-IBGZPJMESA-N 1 0 323.440 3.263 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000376627250 433790757 /nfs/dbraw/zinc/79/07/57/433790757.db2.gz NGBMQAJLEQHUMG-HZSPNIEDSA-N 1 0 303.450 3.333 10 0 DGAERO Cc1nc(N2CCC([NH+]3CCCC3)CC2)ccc1Br ZINC000301979090 433806938 /nfs/dbraw/zinc/80/69/38/433806938.db2.gz FNTCSAIFMRQSQX-UHFFFAOYSA-N 1 0 324.266 3.217 10 0 DGAERO COc1cccc(N(CC(C)C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC000362663538 433812226 /nfs/dbraw/zinc/81/22/26/433812226.db2.gz KSFNSVDRXFLZRJ-UHFFFAOYSA-N 1 0 318.461 3.416 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000293675871 433826345 /nfs/dbraw/zinc/82/63/45/433826345.db2.gz KBDKHNKSVQAAMW-ZDUSSCGKSA-N 1 0 314.223 3.115 10 0 DGAERO C[NH+]1CCC(CC(=O)N(C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000362738072 433841361 /nfs/dbraw/zinc/84/13/61/433841361.db2.gz SJZTUTAQFKCHCC-IBGZPJMESA-N 1 0 312.457 3.397 10 0 DGAERO CC[N@H+](C)[C@@H]1CCN(c2nc(C(F)F)nc3ccccc32)C1 ZINC000302778715 433861390 /nfs/dbraw/zinc/86/13/90/433861390.db2.gz QGEABTGNNRNIKP-LLVKDONJSA-N 1 0 306.360 3.098 10 0 DGAERO O=C(C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)NC1CCCCC1 ZINC000436229427 433911035 /nfs/dbraw/zinc/91/10/35/433911035.db2.gz FALUGUVINWIYGY-PKOBYXMFSA-N 1 0 314.473 3.436 10 0 DGAERO O=C1CCCCN1CCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436236365 433911432 /nfs/dbraw/zinc/91/14/32/433911432.db2.gz FGZWJXIDRMIUCB-ZWKOTPCHSA-N 1 0 300.446 3.315 10 0 DGAERO CC1(C)CN(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC000436243653 433915625 /nfs/dbraw/zinc/91/56/25/433915625.db2.gz XWVBLKLBEBKPFQ-MSOLQXFVSA-N 1 0 302.462 3.023 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000377415017 433878786 /nfs/dbraw/zinc/87/87/86/433878786.db2.gz WYSWNCATUAWSNR-DYVFJYSZSA-N 1 0 309.413 3.303 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000377415525 433879573 /nfs/dbraw/zinc/87/95/73/433879573.db2.gz YODKIEPXRXXUEX-DOTOQJQBSA-N 1 0 323.440 3.259 10 0 DGAERO CCC[C@H](OC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000449937707 433881265 /nfs/dbraw/zinc/88/12/65/433881265.db2.gz ZJLZXAYUWUCVCR-OFQRWUPVSA-N 1 0 324.490 3.062 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc3cnccc3c2)CC1 ZINC000449951057 433888848 /nfs/dbraw/zinc/88/88/48/433888848.db2.gz SGQYOFXLFPBRLG-UHFFFAOYSA-N 1 0 311.429 3.087 10 0 DGAERO c1cc(-c2ccccc2)oc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000378419820 293791878 /nfs/dbraw/zinc/79/18/78/293791878.db2.gz FZHYXQMUTSDWRX-LPHOPBHVSA-N 1 0 313.397 3.374 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NCc1cc(Cl)ccc1Br ZINC000414952704 433936898 /nfs/dbraw/zinc/93/68/98/433936898.db2.gz IRDYJQAJBRXDSJ-TVQRCGJNSA-N 1 0 317.658 3.190 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000363250039 434004412 /nfs/dbraw/zinc/00/44/12/434004412.db2.gz IGACCSSDCONZMJ-KBAYOESNSA-N 1 0 315.461 3.025 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000363250038 434005232 /nfs/dbraw/zinc/00/52/32/434005232.db2.gz IGACCSSDCONZMJ-BPQIPLTHSA-N 1 0 315.461 3.025 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000394306278 293833892 /nfs/dbraw/zinc/83/38/92/293833892.db2.gz XFUJYRMCWLZHNG-YMTOWFKASA-N 1 0 316.232 3.442 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000340258373 434020790 /nfs/dbraw/zinc/02/07/90/434020790.db2.gz NBGHBGJBIITUNU-XYJFISCASA-N 1 0 304.478 3.443 10 0 DGAERO Brc1cccc2c1CC[C@H]2[NH2+]CC1=CCOCC1 ZINC000397853172 293848966 /nfs/dbraw/zinc/84/89/66/293848966.db2.gz BDWFOCFKFPSQPG-OAHLLOKOSA-N 1 0 308.219 3.373 10 0 DGAERO C[N@H+](CCCCNC(=O)CC/C=C\c1ccccc1)C1CC1 ZINC000457176975 434035186 /nfs/dbraw/zinc/03/51/86/434035186.db2.gz BIDHWDJJKHIKIX-WZUFQYTHSA-N 1 0 300.446 3.471 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000357475638 434035438 /nfs/dbraw/zinc/03/54/38/434035438.db2.gz ABNXZBYJUZGYFD-SJORKVTESA-N 1 0 304.409 3.194 10 0 DGAERO CC[C@](C)(C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)OC ZINC000400432596 293864091 /nfs/dbraw/zinc/86/40/91/293864091.db2.gz LOVSNJUVPYFBCT-JKIFEVAISA-N 1 0 314.470 3.037 10 0 DGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(Cc2ccccc2)CC1 ZINC000378053233 434065871 /nfs/dbraw/zinc/06/58/71/434065871.db2.gz WDYOZPRSYYYQMV-MSOLQXFVSA-N 1 0 312.457 3.095 10 0 DGAERO CCCC[N@@H+](Cc1ccccc1F)C[C@@H]1CCNC(=O)CC1 ZINC000450322542 434100125 /nfs/dbraw/zinc/10/01/25/434100125.db2.gz ZKHNWVPKCVQJAQ-HNNXBMFYSA-N 1 0 306.425 3.344 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCn2ccnc21 ZINC000294276809 434069049 /nfs/dbraw/zinc/06/90/49/434069049.db2.gz YFSZNGGKLQDHKI-RISCZKNCSA-N 1 0 320.234 3.311 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000340356608 434084000 /nfs/dbraw/zinc/08/40/00/434084000.db2.gz QMPISCYQHQLHND-PKOBYXMFSA-N 1 0 302.462 3.198 10 0 DGAERO CC(C)[N@@H+](Cc1ccc(Br)cc1F)C[C@@H](C)O ZINC000353383496 434096276 /nfs/dbraw/zinc/09/62/76/434096276.db2.gz FRGQWGHTGOXNLU-SNVBAGLBSA-N 1 0 304.203 3.179 10 0 DGAERO CCn1nncc1C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000459385726 293970056 /nfs/dbraw/zinc/97/00/56/293970056.db2.gz ADAYSENONFFUIS-KRWDZBQOSA-N 1 0 302.397 3.458 10 0 DGAERO C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCC[C@@H](O)C1 ZINC000310158566 434105350 /nfs/dbraw/zinc/10/53/50/434105350.db2.gz QRMKEVCXABCWHV-CMPLNLGQSA-N 1 0 318.280 3.494 10 0 DGAERO O=C(CC[NH2+]C1CC1)NCc1ccccc1OCc1ccccc1 ZINC000310378113 434107837 /nfs/dbraw/zinc/10/78/37/434107837.db2.gz AUNIFYRGHQLCIG-UHFFFAOYSA-N 1 0 324.424 3.024 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000313055278 434116875 /nfs/dbraw/zinc/11/68/75/434116875.db2.gz DGAUSNQFRKTTNG-GFCCVEGCSA-N 1 0 305.752 3.456 10 0 DGAERO CC(C)c1ccc(/C=C/CC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000457358345 434121579 /nfs/dbraw/zinc/12/15/79/434121579.db2.gz BYBJZLKECPULGF-NJELEJDNSA-N 1 0 300.446 3.411 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497121730 294004092 /nfs/dbraw/zinc/00/40/92/294004092.db2.gz AHQSWOXQUDCTDP-TUUVXOQKSA-N 1 0 308.466 3.268 10 0 DGAERO CC[N@@H+]1C[C@H](C)N(C(=O)CC/C=C/c2ccccc2)C[C@@H]1C ZINC000498566477 294063943 /nfs/dbraw/zinc/06/39/43/294063943.db2.gz GGBKHZMYJSTBAW-MVIRQZGPSA-N 1 0 300.446 3.421 10 0 DGAERO CC1(C)C[C@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000507466336 294299545 /nfs/dbraw/zinc/29/95/45/294299545.db2.gz HZWBZVSCYNQLGC-HUUCEWRRSA-N 1 0 322.399 3.059 10 0 DGAERO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000509668899 294361108 /nfs/dbraw/zinc/36/11/08/294361108.db2.gz FDSLTTWOIQYDRJ-ROUUACIJSA-N 1 0 319.445 3.113 10 0 DGAERO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510701318 294390219 /nfs/dbraw/zinc/39/02/19/294390219.db2.gz HJHCUEIRAHIQQN-DLBZAZTESA-N 1 0 302.418 3.192 10 0 DGAERO C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc(F)cc1N(C)C ZINC000511020005 294398950 /nfs/dbraw/zinc/39/89/50/294398950.db2.gz VCUTZVBUIUZJME-CZUORRHYSA-N 1 0 308.441 3.484 10 0 DGAERO O=C1[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)CCCN1C1CCCCC1 ZINC000511032571 294399474 /nfs/dbraw/zinc/39/94/74/294399474.db2.gz SSWOGSOKHOTHHG-KZNAEPCWSA-N 1 0 304.478 3.478 10 0 DGAERO CCCn1cc(C[NH2+]CCc2cccc(Br)c2)cn1 ZINC000313747604 434133904 /nfs/dbraw/zinc/13/39/04/434133904.db2.gz ZMJPXLIAMQYLJP-UHFFFAOYSA-N 1 0 322.250 3.388 10 0 DGAERO C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C1(C)CC1 ZINC000340460623 434144624 /nfs/dbraw/zinc/14/46/24/434144624.db2.gz NRDTXELTHCPVBS-VIFPVBQESA-N 1 0 312.207 3.456 10 0 DGAERO CC(=O)Nc1cccc(C[NH+]2CCC(c3nccc(C)n3)CC2)c1 ZINC000363788321 434149304 /nfs/dbraw/zinc/14/93/04/434149304.db2.gz BVBUACWQTBJNMI-UHFFFAOYSA-N 1 0 324.428 3.123 10 0 DGAERO C(CC1CCN(c2nc(C3CCC3)no2)CC1)C[NH+]1CCCC1 ZINC000450409919 434157648 /nfs/dbraw/zinc/15/76/48/434157648.db2.gz VAPLWDGSWPEQFS-UHFFFAOYSA-N 1 0 318.465 3.430 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H](C)CN1CCCC1=O ZINC000512995984 294458112 /nfs/dbraw/zinc/45/81/12/294458112.db2.gz ATNFRXPNXJQDAW-ZVHGMHCTSA-N 1 0 306.837 3.344 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)COCC(C)C ZINC000513014681 294458688 /nfs/dbraw/zinc/45/86/88/294458688.db2.gz LQTLCESPXILLSX-XMCSSRMMSA-N 1 0 311.853 3.366 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1(C(N)=O)CCCC1 ZINC000513488159 294474558 /nfs/dbraw/zinc/47/45/58/294474558.db2.gz PZFHFJQJNURRQN-JLHYYAGUSA-N 1 0 306.837 3.379 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000357801735 434192242 /nfs/dbraw/zinc/19/22/42/434192242.db2.gz XRZRCHMUOHFACC-GOEBONIOSA-N 1 0 306.450 3.034 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCOCC[C@@H]2C)c(C)c1 ZINC000378462141 434192675 /nfs/dbraw/zinc/19/26/75/434192675.db2.gz LZEYTCMOYLXXRT-KRWDZBQOSA-N 1 0 318.461 3.441 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCOCC34CCCC4)c2)cn1 ZINC000346210766 434202581 /nfs/dbraw/zinc/20/25/81/434202581.db2.gz WBCJOMKSLWXKOA-UHFFFAOYSA-N 1 0 303.431 3.079 10 0 DGAERO Cc1cccnc1CC[NH2+]Cc1cc(O)ccc1Br ZINC000295125219 434213186 /nfs/dbraw/zinc/21/31/86/434213186.db2.gz XVABCIIERMJRDD-UHFFFAOYSA-N 1 0 321.218 3.190 10 0 DGAERO CCOC1(C)CC[NH+](Cc2ccccc2-c2ccnn2C)CC1 ZINC000353585129 434250048 /nfs/dbraw/zinc/25/00/48/434250048.db2.gz PCUBOSFTSRPSEY-UHFFFAOYSA-N 1 0 313.445 3.478 10 0 DGAERO c1c(C[NH2+]C2CC2)nnn1Cc1ccc(-c2ccccc2)cc1 ZINC000321356685 434251004 /nfs/dbraw/zinc/25/10/04/434251004.db2.gz DFNKRYLUHDKDCZ-UHFFFAOYSA-N 1 0 304.397 3.245 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000437384061 434259431 /nfs/dbraw/zinc/25/94/31/434259431.db2.gz KBSZOSFIHUKSHW-APHBMKBZSA-N 1 0 324.827 3.326 10 0 DGAERO COC[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000379647190 434261187 /nfs/dbraw/zinc/26/11/87/434261187.db2.gz KDWAFSKEZFCTBU-RTBURBONSA-N 1 0 304.478 3.302 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000379652156 434261848 /nfs/dbraw/zinc/26/18/48/434261848.db2.gz WABJVZUNCITJFD-AQNXPRMDSA-N 1 0 316.489 3.446 10 0 DGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1c(F)ccc(I)c1F ZINC000380172699 434265894 /nfs/dbraw/zinc/26/58/94/434265894.db2.gz DUUYURMYRPIKOX-LDWIPMOCSA-N 1 0 323.124 3.067 10 0 DGAERO CCC1CCC([N@H+](C)C[C@H](O)COCc2ccccc2)CC1 ZINC000381634117 434269960 /nfs/dbraw/zinc/26/99/60/434269960.db2.gz TVBGXMNOUWPNEP-KVZIAJEVSA-N 1 0 305.462 3.465 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000324302298 434270245 /nfs/dbraw/zinc/27/02/45/434270245.db2.gz DDEUIMQEHYTREE-LLVKDONJSA-N 1 0 322.193 3.224 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)CC2 ZINC000353615103 434271527 /nfs/dbraw/zinc/27/15/27/434271527.db2.gz XXWBMDJFWYGTFM-KYJSFNMBSA-N 1 0 311.429 3.025 10 0 DGAERO C[C@@H]([NH3+])[C@H](C)Nc1ncc(Br)c2ccsc21 ZINC000381647074 434271695 /nfs/dbraw/zinc/27/16/95/434271695.db2.gz XYQBPOZXEOPOQD-RQJHMYQMSA-N 1 0 300.225 3.206 10 0 DGAERO C[C@H]1CCN(Cc2ccnc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000383112893 434284250 /nfs/dbraw/zinc/28/42/50/434284250.db2.gz QOKGBJVSLFWMJP-KRWDZBQOSA-N 1 0 320.440 3.050 10 0 DGAERO CO[C@@H]([C@H](C)[NH2+]Cc1ccc(Br)c(F)c1)C1CC1 ZINC000388233837 434333589 /nfs/dbraw/zinc/33/35/89/434333589.db2.gz NOUHAQQICNRABV-XPTSAGLGSA-N 1 0 316.214 3.491 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000450627203 434302005 /nfs/dbraw/zinc/30/20/05/434302005.db2.gz TZZMKXQYRSRMDX-KFWWJZLASA-N 1 0 322.415 3.027 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000295315873 434304955 /nfs/dbraw/zinc/30/49/55/434304955.db2.gz YRVVCMUPULBWBR-OUJBWJOFSA-N 1 0 314.223 3.113 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000295315864 434306179 /nfs/dbraw/zinc/30/61/79/434306179.db2.gz YRVVCMUPULBWBR-GBIKHYSHSA-N 1 0 314.223 3.113 10 0 DGAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000386219740 434307857 /nfs/dbraw/zinc/30/78/57/434307857.db2.gz FJOLJLRYJDASRV-GHMZBOCLSA-N 1 0 304.217 3.075 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccsc1Br ZINC000388767948 434334119 /nfs/dbraw/zinc/33/41/19/434334119.db2.gz ZGMVXGCGERBGMQ-QWRGUYRKSA-N 1 0 304.253 3.103 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000450658578 434318088 /nfs/dbraw/zinc/31/80/88/434318088.db2.gz DKZAXWNVNOLUJV-FUXBKTLASA-N 1 0 308.180 3.123 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000450670097 434329460 /nfs/dbraw/zinc/32/94/60/434329460.db2.gz VRCLEDNQZOQLRX-AUUYWEPGSA-N 1 0 313.397 3.470 10 0 DGAERO C[C@@H]1CCC[C@@H](CC[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)C1 ZINC000329127604 434363076 /nfs/dbraw/zinc/36/30/76/434363076.db2.gz NBBZYTOTIQSDCY-WTTBNOFXSA-N 1 0 318.465 3.187 10 0 DGAERO CC1=CCN(CC[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000358173317 434364431 /nfs/dbraw/zinc/36/44/31/434364431.db2.gz WGHLCBQGTWIYNB-ICSRJNTNSA-N 1 0 313.489 3.064 10 0 DGAERO c1ccc2c(c1)COC[C@@H]2[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000417369587 434369575 /nfs/dbraw/zinc/36/95/75/434369575.db2.gz SJKNHZVFPRTWMH-BVYOLEPJSA-N 1 0 301.430 3.443 10 0 DGAERO CC[C@@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccc(C)cc1 ZINC000358179626 434369541 /nfs/dbraw/zinc/36/95/41/434369541.db2.gz AWHRFCISERLCOR-GOSISDBHSA-N 1 0 315.461 3.397 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2csc(Br)c2)CC1 ZINC000358177282 434371559 /nfs/dbraw/zinc/37/15/59/434371559.db2.gz XQNCYVZUYVBEDN-UHFFFAOYSA-N 1 0 315.280 3.252 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1F ZINC000358197297 434379622 /nfs/dbraw/zinc/37/96/22/434379622.db2.gz VZXCFSGYDRERGW-HNNXBMFYSA-N 1 0 319.424 3.146 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC000358126705 434342163 /nfs/dbraw/zinc/34/21/63/434342163.db2.gz BHXNLLPRPLMTRE-UHFFFAOYSA-N 1 0 310.388 3.072 10 0 DGAERO CC[N@@H+]1CC[C@@H](N[C@H](C)c2ccc(F)cc2Br)C1 ZINC000389273439 434346229 /nfs/dbraw/zinc/34/62/29/434346229.db2.gz ROUXOZHFDITYQM-ZYHUDNBSSA-N 1 0 315.230 3.333 10 0 DGAERO CC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(F)cc2Br)C1 ZINC000389273438 434347796 /nfs/dbraw/zinc/34/77/96/434347796.db2.gz ROUXOZHFDITYQM-PWSUYJOCSA-N 1 0 315.230 3.333 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2sccc2Br)C1 ZINC000389167643 434349115 /nfs/dbraw/zinc/34/91/15/434349115.db2.gz MXTROQOJVPOFIF-VHSXEESVSA-N 1 0 303.269 3.255 10 0 DGAERO COC[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000389868531 434351291 /nfs/dbraw/zinc/35/12/91/434351291.db2.gz NKWJXMDXFGGNRA-QMMLZNLJSA-N 1 0 324.468 3.484 10 0 DGAERO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393323167 434391248 /nfs/dbraw/zinc/39/12/48/434391248.db2.gz QUKDLBCFVZOYRD-ONGXEEELSA-N 1 0 300.244 3.097 10 0 DGAERO CCn1ccnc1CNC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397889608 434445949 /nfs/dbraw/zinc/44/59/49/434445949.db2.gz FNXIUIYGLIUJCN-LJQANCHMSA-N 1 0 312.461 3.047 10 0 DGAERO C([NH+]1CCC(c2nnc3n2CCCC3)CC1)C12CCC(CC1)C2 ZINC000450761113 434392181 /nfs/dbraw/zinc/39/21/81/434392181.db2.gz FZHUSTBSSUIGRE-UHFFFAOYSA-N 1 0 314.477 3.374 10 0 DGAERO c1ccc(OCCCC[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000438072113 434395003 /nfs/dbraw/zinc/39/50/03/434395003.db2.gz AKLUKXABQFNHQE-KRWDZBQOSA-N 1 0 313.397 3.275 10 0 DGAERO Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1F ZINC000329635001 434447796 /nfs/dbraw/zinc/44/77/96/434447796.db2.gz XTDXERXAFFHYCL-DYVFJYSZSA-N 1 0 317.364 3.110 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]3COCC[C@H]32)cs1 ZINC000438105255 434410299 /nfs/dbraw/zinc/41/02/99/434410299.db2.gz ZQHYCXHDRDNLFP-SWLSCSKDSA-N 1 0 303.431 3.139 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000394967210 434410791 /nfs/dbraw/zinc/41/07/91/434410791.db2.gz MCLXXPLGCRXFHM-GHMZBOCLSA-N 1 0 302.187 3.245 10 0 DGAERO Fc1c(Br)cccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000394954444 434411399 /nfs/dbraw/zinc/41/13/99/434411399.db2.gz FOOVGZWCXTXPBR-SNVBAGLBSA-N 1 0 302.187 3.104 10 0 DGAERO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)NC1CCCCC1 ZINC000359142454 434413181 /nfs/dbraw/zinc/41/31/81/434413181.db2.gz QZHFRVXNRYHNKC-GOSISDBHSA-N 1 0 315.461 3.283 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366480353 434430185 /nfs/dbraw/zinc/43/01/85/434430185.db2.gz HDLYJRJCBQHYSO-WMZOPIPTSA-N 1 0 322.493 3.106 10 0 DGAERO CC(C)[NH2+]CCCNc1ncc(Cl)cc1Br ZINC000520551121 294833095 /nfs/dbraw/zinc/83/30/95/294833095.db2.gz JYFKBGOAMCKKJS-UHFFFAOYSA-N 1 0 306.635 3.298 10 0 DGAERO Cc1cccc2ncc(C[NH2+]C[C@@](C)(O)C3CCCCC3)n21 ZINC000359821224 434434650 /nfs/dbraw/zinc/43/46/50/434434650.db2.gz WWCDZSHEQFZTAA-GOSISDBHSA-N 1 0 301.434 3.064 10 0 DGAERO C[C@@H]1C[C@H](C)N(C(=O)c2cc3sccc3s2)C[C@@H]1C[NH3+] ZINC000397480636 434434784 /nfs/dbraw/zinc/43/47/84/434434784.db2.gz NCPGYJDAABJIGU-VWYCJHECSA-N 1 0 308.472 3.408 10 0 DGAERO Cc1nc2ccccn2c1C[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000359820204 434434760 /nfs/dbraw/zinc/43/47/60/434434760.db2.gz SKPLAPLBNYIFBL-GOSISDBHSA-N 1 0 301.434 3.064 10 0 DGAERO c1ccc(-c2nnc(NC3CC([NH+]4CCCCC4)C3)s2)cc1 ZINC000366490866 434436284 /nfs/dbraw/zinc/43/62/84/434436284.db2.gz JWWZLKGCFWGYTO-UHFFFAOYSA-N 1 0 314.458 3.634 10 0 DGAERO C[C@H](CCC1CCCC1)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360028373 434481392 /nfs/dbraw/zinc/48/13/92/434481392.db2.gz DXLNSBDCTIPQTN-MRXNPFEDSA-N 1 0 317.477 3.367 10 0 DGAERO Cc1scc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1C ZINC000399831415 434482163 /nfs/dbraw/zinc/48/21/63/434482163.db2.gz YUJUWQXVAUAXCK-UHFFFAOYSA-N 1 0 309.456 3.058 10 0 DGAERO c1cn2c(n1)CC[C@@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000360023380 434482833 /nfs/dbraw/zinc/48/28/33/434482833.db2.gz ZAVQCCQXBSYOII-SJLPKXTDSA-N 1 0 323.440 3.190 10 0 DGAERO C[C@@H]([NH2+]C(C1CC1)C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400533046 434484954 /nfs/dbraw/zinc/48/49/54/434484954.db2.gz SEXLKPNZYZOENG-IUODEOHRSA-N 1 0 308.466 3.410 10 0 DGAERO Cc1nn(C)c(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br ZINC000403667456 434505438 /nfs/dbraw/zinc/50/54/38/434505438.db2.gz UJQZLZRPDFTHHF-UTUOFQBUSA-N 1 0 312.255 3.017 10 0 DGAERO CC[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)OC ZINC000400432593 434487035 /nfs/dbraw/zinc/48/70/35/434487035.db2.gz LOVSNJUVPYFBCT-JJRVBVJISA-N 1 0 314.470 3.037 10 0 DGAERO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCCn3ncnc32)C1 ZINC000329851496 434491330 /nfs/dbraw/zinc/49/13/30/434491330.db2.gz TUPDYOYDLMLGOA-PMPSAXMXSA-N 1 0 311.433 3.132 10 0 DGAERO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCn3ncnc32)C1 ZINC000329851495 434492690 /nfs/dbraw/zinc/49/26/90/434492690.db2.gz TUPDYOYDLMLGOA-OWCLPIDISA-N 1 0 311.433 3.132 10 0 DGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc(Cl)sc1Cl ZINC000401605609 434495618 /nfs/dbraw/zinc/49/56/18/434495618.db2.gz HAVZHDNOXAKHRZ-VIFPVBQESA-N 1 0 319.257 3.459 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)CO1 ZINC000402014455 434497359 /nfs/dbraw/zinc/49/73/59/434497359.db2.gz TUVUHFGHFCGOSU-XWIASGKRSA-N 1 0 312.207 3.040 10 0 DGAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000423640446 434504255 /nfs/dbraw/zinc/50/42/55/434504255.db2.gz KEICUUVSNKONME-SMDDNHRTSA-N 1 0 312.866 3.160 10 0 DGAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000398015083 434449882 /nfs/dbraw/zinc/44/98/82/434449882.db2.gz FYFQHVJZKTXLBD-ZWKOTPCHSA-N 1 0 306.494 3.140 10 0 DGAERO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Cl)sc1Cl ZINC000404159990 434506787 /nfs/dbraw/zinc/50/67/87/434506787.db2.gz AZDBWDRHMPZEJJ-PELKAZGASA-N 1 0 310.246 3.247 10 0 DGAERO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000404190498 434507886 /nfs/dbraw/zinc/50/78/86/434507886.db2.gz IXCYAPFGIIBAMS-IINYFYTJSA-N 1 0 304.217 3.186 10 0 DGAERO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Cl)sc1Cl ZINC000404159994 434508681 /nfs/dbraw/zinc/50/86/81/434508681.db2.gz AZDBWDRHMPZEJJ-UFBFGSQYSA-N 1 0 310.246 3.247 10 0 DGAERO CCCc1occc1C(=O)Nc1nc2c(s1)CN(CC)CC2 ZINC000366820501 434517616 /nfs/dbraw/zinc/51/76/16/434517616.db2.gz OJPZSBAVTJUMHS-UHFFFAOYSA-N 1 0 319.430 3.319 10 0 DGAERO Clc1cccc(Cl)c1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404626070 434519970 /nfs/dbraw/zinc/51/99/70/434519970.db2.gz RIFMLBLYYRYAOY-JTQLQIEISA-N 1 0 311.216 3.100 10 0 DGAERO C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000523444268 294947550 /nfs/dbraw/zinc/94/75/50/294947550.db2.gz RCYAJULNXBTTON-DLBZAZTESA-N 1 0 324.509 3.305 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000408186011 434550123 /nfs/dbraw/zinc/55/01/23/434550123.db2.gz OUABDQKNQGDZJI-YOEHRIQHSA-N 1 0 324.428 3.382 10 0 DGAERO C[C@@H](O)CC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000451065689 434552814 /nfs/dbraw/zinc/55/28/14/434552814.db2.gz RVJUJXRTDSJDDL-TZMCWYRMSA-N 1 0 312.251 3.084 10 0 DGAERO CCn1nncc1CN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000459317164 434566821 /nfs/dbraw/zinc/56/68/21/434566821.db2.gz ZEZSAERYKUJCPF-FQEVSTJZSA-N 1 0 318.424 3.446 10 0 DGAERO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC000525737325 295029508 /nfs/dbraw/zinc/02/95/08/295029508.db2.gz QZLIKWKXMFYNIB-DZKIICNBSA-N 1 0 304.434 3.093 10 0 DGAERO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@H](O)CC(F)(F)F)c1 ZINC000526058491 295054188 /nfs/dbraw/zinc/05/41/88/295054188.db2.gz DMWLWLSDKGKUIW-ZIAGYGMSSA-N 1 0 317.351 3.015 10 0 DGAERO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000526932468 295063386 /nfs/dbraw/zinc/06/33/86/295063386.db2.gz PJAKEJWKWLLVQN-TZMCWYRMSA-N 1 0 320.399 3.440 10 0 DGAERO c1ccc([C@H]2CC[C@@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)cc1 ZINC000527109774 295078896 /nfs/dbraw/zinc/07/88/96/295078896.db2.gz MSQBQFRKZNBIDT-DLBZAZTESA-N 1 0 319.412 3.088 10 0 DGAERO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C2CC2)CCOCC1 ZINC000481539139 295104148 /nfs/dbraw/zinc/10/41/48/295104148.db2.gz CQJSUSBCRRNAAD-HNNXBMFYSA-N 1 0 303.446 3.440 10 0 DGAERO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000527663688 295112118 /nfs/dbraw/zinc/11/21/18/295112118.db2.gz BRUHMHNMBNGZMM-NWDGAFQWSA-N 1 0 311.438 3.003 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)CCO1 ZINC000527688658 295115886 /nfs/dbraw/zinc/11/58/86/295115886.db2.gz RVBKRHJOASFNNV-PSASIEDQSA-N 1 0 320.177 3.384 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527715597 295120028 /nfs/dbraw/zinc/12/00/28/295120028.db2.gz GRLYVMDEQWHJLX-JTQLQIEISA-N 1 0 320.177 3.242 10 0 DGAERO c1ccc(N2CCOCC2)c(C[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000527789870 295130819 /nfs/dbraw/zinc/13/08/19/295130819.db2.gz OWQRIMZLRHGWQD-QGZVFWFLSA-N 1 0 300.446 3.359 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000527807349 295133752 /nfs/dbraw/zinc/13/37/52/295133752.db2.gz ZIKKPMGYLRKQEI-RZGXBDKHSA-N 1 0 314.223 3.056 10 0 DGAERO c1cn(-c2csc(C[NH2+]C[C@@H]3CCN3C3CCCC3)c2)cn1 ZINC000527806944 295134170 /nfs/dbraw/zinc/13/41/70/295134170.db2.gz GOZWWODQBQOZTR-HNNXBMFYSA-N 1 0 316.474 3.040 10 0 DGAERO c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527808043 295134344 /nfs/dbraw/zinc/13/43/44/295134344.db2.gz PIPBIWFDGQXRIG-RDJZCZTQSA-N 1 0 300.446 3.159 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1sccc1Br ZINC000527807417 295134515 /nfs/dbraw/zinc/13/45/15/295134515.db2.gz ZRYLWMCBRWVTQK-SREGZZRCSA-N 1 0 304.253 3.412 10 0 DGAERO Brc1cccc(-c2ccc(C[NH2+]CC3COC3)o2)c1 ZINC000527821697 295136268 /nfs/dbraw/zinc/13/62/68/295136268.db2.gz YDUFNNRWOLVHEL-UHFFFAOYSA-N 1 0 322.202 3.445 10 0 DGAERO Cc1noc([C@H]2C[C@H](O)C[N@@H+]2CC2CCC(C(C)(C)C)CC2)n1 ZINC000408388327 434568840 /nfs/dbraw/zinc/56/88/40/434568840.db2.gz BZUYIXDTCYKPGS-SSHXOBKSSA-N 1 0 321.465 3.338 10 0 DGAERO O[C@@H]1[C@@H](C[NH2+]CCc2ccc(Cl)cc2)CCC12CCOCC2 ZINC000459551129 434604283 /nfs/dbraw/zinc/60/42/83/434604283.db2.gz ZQYGEMZCQDXCHF-NVXWUHKLSA-N 1 0 323.864 3.040 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H](C)OC)[C@H]1Sc1ccccc1 ZINC000459560022 434606602 /nfs/dbraw/zinc/60/66/02/434606602.db2.gz JGIGVQRMHPICJB-IMPMIVQMSA-N 1 0 309.475 3.338 10 0 DGAERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000452722532 434692831 /nfs/dbraw/zinc/69/28/31/434692831.db2.gz KIHCILUIAXEREO-RYUDHWBXSA-N 1 0 324.827 3.237 10 0 DGAERO CN(CC1CC1)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459679677 434662137 /nfs/dbraw/zinc/66/21/37/434662137.db2.gz UJUVKTUAGLMXFV-MSOLQXFVSA-N 1 0 300.446 3.123 10 0 DGAERO c1nc2ccccn2c1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360665171 434662618 /nfs/dbraw/zinc/66/26/18/434662618.db2.gz UONLPONWNOIGMQ-FQEVSTJZSA-N 1 0 319.408 3.356 10 0 DGAERO c1ccc(OC2CCCC2)c(CN2CC[NH+]3CCC2CC3)c1 ZINC000349303875 434665753 /nfs/dbraw/zinc/66/57/53/434665753.db2.gz ZGBKBSNAVHZXFM-UHFFFAOYSA-N 1 0 300.446 3.288 10 0 DGAERO O[C@@H](CC[NH2+]Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000349316781 434671077 /nfs/dbraw/zinc/67/10/77/434671077.db2.gz ORRKLIGFPDFDIX-JTQLQIEISA-N 1 0 302.123 3.396 10 0 DGAERO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2cncs2)CC1 ZINC000371334475 434671906 /nfs/dbraw/zinc/67/19/06/434671906.db2.gz YPKGEHSWMSAFOQ-QGZVFWFLSA-N 1 0 321.490 3.146 10 0 DGAERO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2cncs2)CC1 ZINC000371334474 434672785 /nfs/dbraw/zinc/67/27/85/434672785.db2.gz YPKGEHSWMSAFOQ-KRWDZBQOSA-N 1 0 321.490 3.146 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC(OCC2CC2)CC1 ZINC000371337348 434673339 /nfs/dbraw/zinc/67/33/39/434673339.db2.gz UFLHYIYDQGJITH-UHFFFAOYSA-N 1 0 311.429 3.468 10 0 DGAERO C([NH2+][C@H](C1CCC1)C1CCCCC1)c1nnc2n1CCCC2 ZINC000424276829 434676329 /nfs/dbraw/zinc/67/63/29/434676329.db2.gz FQIXWBYIWWROCB-SFHVURJKSA-N 1 0 302.466 3.453 10 0 DGAERO c1csc([C@@H](Cc2ccncc2)[NH2+]CC[C@@H]2CCOC2)c1 ZINC000424282554 434676602 /nfs/dbraw/zinc/67/66/02/434676602.db2.gz QJTZLVSUYMCOPG-HZPDHXFCSA-N 1 0 302.443 3.443 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc2c1OCO2 ZINC000360964738 434746587 /nfs/dbraw/zinc/74/65/87/434746587.db2.gz XIOIPABCHUVFGG-ARFHVFGLSA-N 1 0 303.402 3.100 10 0 DGAERO CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000460214522 434747249 /nfs/dbraw/zinc/74/72/49/434747249.db2.gz LBBOHSOWFXFXPY-IAGOWNOFSA-N 1 0 307.482 3.249 10 0 DGAERO CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000460214523 434747736 /nfs/dbraw/zinc/74/77/36/434747736.db2.gz LBBOHSOWFXFXPY-IRXDYDNUSA-N 1 0 307.482 3.249 10 0 DGAERO c1cc([C@@H]2CCC[N@H+]2CCOCC2CCC2)cc2c1OCO2 ZINC000419196036 434748474 /nfs/dbraw/zinc/74/84/74/434748474.db2.gz AKNBCSBHSXFQOQ-INIZCTEOSA-N 1 0 303.402 3.369 10 0 DGAERO CC[C@@H](C)[C@H](C)N(C(=O)NCC[N@H+]1CC=C(C)CC1)C1CC1 ZINC000460226322 434748507 /nfs/dbraw/zinc/74/85/07/434748507.db2.gz IOEHHBDSPKTVLX-CVEARBPZSA-N 1 0 307.482 3.247 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000460230316 434750436 /nfs/dbraw/zinc/75/04/36/434750436.db2.gz PZNYXRQDGLSNDZ-IXDOHACOSA-N 1 0 305.466 3.001 10 0 DGAERO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360975711 434751548 /nfs/dbraw/zinc/75/15/48/434751548.db2.gz PXCWQSMDUBYAIL-CQSZACIVSA-N 1 0 315.417 3.017 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000440888099 434751804 /nfs/dbraw/zinc/75/18/04/434751804.db2.gz CIOKKCHVEARDCC-UHFFFAOYSA-N 1 0 324.852 3.262 10 0 DGAERO Cc1ccnc(C2CC[NH+](Cc3cnc4cccc(C)n34)CC2)n1 ZINC000371887807 434767282 /nfs/dbraw/zinc/76/72/82/434767282.db2.gz JUNNDKIPSOLTHS-UHFFFAOYSA-N 1 0 321.428 3.121 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000278493888 297146278 /nfs/dbraw/zinc/14/62/78/297146278.db2.gz LDUWMHMHNSDCIN-XFBWCDHKSA-N 1 0 324.262 3.321 10 0 DGAERO CCc1ccccc1CC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000444602536 434787058 /nfs/dbraw/zinc/78/70/58/434787058.db2.gz KGORWHCSDWPVJA-FQEVSTJZSA-N 1 0 322.452 3.355 10 0 DGAERO CCn1ccnc1[C@H](C)[NH2+]CCOCc1ccc(Cl)cc1 ZINC000453172293 434822155 /nfs/dbraw/zinc/82/21/55/434822155.db2.gz MQJLRNJEGHJJST-ZDUSSCGKSA-N 1 0 307.825 3.424 10 0 DGAERO CCC[C@@H]([NH2+]CCc1nc(C(=O)OCC)cs1)C1CCC1 ZINC000453210511 434828948 /nfs/dbraw/zinc/82/89/48/434828948.db2.gz CUBWMTCHEPAXPE-CYBMUJFWSA-N 1 0 310.463 3.421 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2c(F)cccc2SC)CCOCC1 ZINC000453221667 434833241 /nfs/dbraw/zinc/83/32/41/434833241.db2.gz YFAIMGNMNXOOHG-GFCCVEGCSA-N 1 0 313.438 3.221 10 0 DGAERO c1nnc([C@H]([NH2+]CCCC2CCOCC2)C2CCCCC2)[nH]1 ZINC000453243731 434838172 /nfs/dbraw/zinc/83/81/72/434838172.db2.gz ZQDAUVGMWNCTFZ-MRXNPFEDSA-N 1 0 306.454 3.223 10 0 DGAERO O=C(C1CCSCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000372624991 434844331 /nfs/dbraw/zinc/84/43/31/434844331.db2.gz KYYQLHWKAIHPJF-INIZCTEOSA-N 1 0 324.534 3.244 10 0 DGAERO C[N@H+](CCNC(=O)Cc1csc2ccccc12)C1CCCC1 ZINC000521484337 434886170 /nfs/dbraw/zinc/88/61/70/434886170.db2.gz VFXJGBPENFKROC-UHFFFAOYSA-N 1 0 316.470 3.434 10 0 DGAERO Fc1ccc(OCC[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000553385048 434889497 /nfs/dbraw/zinc/88/94/97/434889497.db2.gz DGDQJDFDQBURSZ-UHFFFAOYSA-N 1 0 315.344 3.212 10 0 DGAERO CCOc1cccc(CC[NH2+][C@H](COC)Cc2ccccc2)c1 ZINC000552580273 434867976 /nfs/dbraw/zinc/86/79/76/434867976.db2.gz XOYARHCGQZPZCS-IBGZPJMESA-N 1 0 313.441 3.475 10 0 DGAERO CC[N@H+](CCC1CCN(C(=O)N[C@H](C)C2CC2)CC1)CC1CC1 ZINC000552775241 434869944 /nfs/dbraw/zinc/86/99/44/434869944.db2.gz AKJHPYJEVBTYCV-OAHLLOKOSA-N 1 0 321.509 3.329 10 0 DGAERO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC2(CC2)c2ccccc21 ZINC000463062155 434942514 /nfs/dbraw/zinc/94/25/14/434942514.db2.gz NOMJBBBQSVXPLU-HNNXBMFYSA-N 1 0 315.461 3.368 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462784652 434927603 /nfs/dbraw/zinc/92/76/03/434927603.db2.gz FTNDJHYRSGUWQF-OAHLLOKOSA-N 1 0 320.477 3.462 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)Cc1ccccc1 ZINC000522676587 434928185 /nfs/dbraw/zinc/92/81/85/434928185.db2.gz HCFTVPUCPHLOCH-KRWDZBQOSA-N 1 0 302.462 3.246 10 0 DGAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]3CCOC3)C1)O2 ZINC000462796875 434929731 /nfs/dbraw/zinc/92/97/31/434929731.db2.gz YJZWPCVTBUCLIA-DZJNRPSUSA-N 1 0 301.430 3.175 10 0 DGAERO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462791123 434929760 /nfs/dbraw/zinc/92/97/60/434929760.db2.gz QIXBVVQKMPDDJZ-GOSISDBHSA-N 1 0 307.434 3.139 10 0 DGAERO Cc1nc2c(cc(-c3ccnc(NCC[NH3+])n3)cc2C)n1C(C)C ZINC000575310429 435030082 /nfs/dbraw/zinc/03/00/82/435030082.db2.gz YSNYKQDKJIKAHS-UHFFFAOYSA-N 1 0 324.432 3.062 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]2c2ccccc2)CC1 ZINC000466094801 435061416 /nfs/dbraw/zinc/06/14/16/435061416.db2.gz NBDIDMIIFVKAPU-GOSISDBHSA-N 1 0 315.461 3.265 10 0 DGAERO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000492815172 435055821 /nfs/dbraw/zinc/05/58/21/435055821.db2.gz CXNGIAABWQGTLY-ZFWWWQNUSA-N 1 0 318.417 3.302 10 0 DGAERO CC[C@@H]1CCC[C@@H](NC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000465988924 435056068 /nfs/dbraw/zinc/05/60/68/435056068.db2.gz ZZQRIJXQMIZHCY-NVXWUHKLSA-N 1 0 309.498 3.376 10 0 DGAERO COc1ccc(F)c(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000531519578 435100286 /nfs/dbraw/zinc/10/02/86/435100286.db2.gz PIQWRYDEYFDBEC-UHFFFAOYSA-N 1 0 323.412 3.172 10 0 DGAERO Cc1nn(C)c(C[NH2+]C2CCC3(CC3)CC2)c1Br ZINC000579821956 435184843 /nfs/dbraw/zinc/18/48/43/435184843.db2.gz VTLHJFZKCMPQDJ-UHFFFAOYSA-N 1 0 312.255 3.303 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(OC)c1 ZINC000475287696 435187438 /nfs/dbraw/zinc/18/74/38/435187438.db2.gz OOGLZQZWJXQNLK-ZWNOBZJWSA-N 1 0 303.324 3.477 10 0 DGAERO c1ccc(N2CCC(C[NH2+]Cc3cccc4c3OCO4)CC2)cc1 ZINC000475283344 435188406 /nfs/dbraw/zinc/18/84/06/435188406.db2.gz VMYMOEKIKRGSHD-UHFFFAOYSA-N 1 0 324.424 3.422 10 0 DGAERO Cc1csc(NC(=O)C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000495395931 435203334 /nfs/dbraw/zinc/20/33/34/435203334.db2.gz KAHGOBXEZHELAJ-KWCYVHTRSA-N 1 0 309.479 3.440 10 0 DGAERO COC(C)(C)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000532340219 435159859 /nfs/dbraw/zinc/15/98/59/435159859.db2.gz ZHPVRBDPUFWXHI-UHFFFAOYSA-N 1 0 304.203 3.445 10 0 DGAERO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000532484865 435169760 /nfs/dbraw/zinc/16/97/60/435169760.db2.gz BNCXBLUTTCAUFK-NWDGAFQWSA-N 1 0 317.260 3.365 10 0 DGAERO c1ccc(-c2ncc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)cn2)cc1 ZINC000532647241 435182392 /nfs/dbraw/zinc/18/23/92/435182392.db2.gz NMOFFNVILCLJAG-ZWKOTPCHSA-N 1 0 309.413 3.145 10 0 DGAERO CC(C)[NH2+]CCCNc1ccnc2cc(Br)cnc21 ZINC000561264004 435208552 /nfs/dbraw/zinc/20/85/52/435208552.db2.gz DHBSQDVWCFKJIQ-UHFFFAOYSA-N 1 0 323.238 3.192 10 0 DGAERO Cc1ccncc1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000533346691 435227940 /nfs/dbraw/zinc/22/79/40/435227940.db2.gz NILFHKLBFJGSPM-HNNXBMFYSA-N 1 0 304.434 3.334 10 0 DGAERO C[C@H]1C[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000533739849 435255185 /nfs/dbraw/zinc/25/51/85/435255185.db2.gz GZSRWGRVHMIUDO-UWVGGRQHSA-N 1 0 311.216 3.320 10 0 DGAERO C[C@@](CO)([NH2+]Cc1ccn(C2CCCC2)n1)C1CCCCC1 ZINC000477291249 435264357 /nfs/dbraw/zinc/26/43/57/435264357.db2.gz LBKRTHFTFUVJPF-SFHVURJKSA-N 1 0 305.466 3.419 10 0 DGAERO Cc1cc(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)on1 ZINC000584009834 435266734 /nfs/dbraw/zinc/26/67/34/435266734.db2.gz JNEPBUWEDFYZKO-UHFFFAOYSA-N 1 0 322.792 3.130 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000478513915 435303428 /nfs/dbraw/zinc/30/34/28/435303428.db2.gz CZWDWJQTZFOOII-GJZGRUSLSA-N 1 0 309.498 3.232 10 0 DGAERO COc1cccc(OC)c1C[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000511764660 435333293 /nfs/dbraw/zinc/33/32/93/435333293.db2.gz HSHRJPIQBWNGPF-GOSISDBHSA-N 1 0 307.434 3.125 10 0 DGAERO c1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)[C@H]3CCOC[C@@H]23)cc1 ZINC000511793942 435333535 /nfs/dbraw/zinc/33/35/35/435333535.db2.gz CRCPQWPRNQYRCK-MUGJNUQGSA-N 1 0 315.457 3.450 10 0 DGAERO OC[C@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccccc1 ZINC000512036402 435341842 /nfs/dbraw/zinc/34/18/42/435341842.db2.gz HYSXADKZMAZYBN-APHBUQMISA-N 1 0 303.352 3.344 10 0 DGAERO CCCC1CCC([NH2+]Cc2cccc(N3CCOCC3)n2)CC1 ZINC000479595466 435342771 /nfs/dbraw/zinc/34/27/71/435342771.db2.gz UXZFAQMRFURYJJ-UHFFFAOYSA-N 1 0 317.477 3.367 10 0 DGAERO CCOc1cc(C[N@H+](C)C2CCOCC2)cc(Cl)c1OC ZINC000535803743 435354736 /nfs/dbraw/zinc/35/47/36/435354736.db2.gz DTBUTCXYHKSWJH-UHFFFAOYSA-N 1 0 313.825 3.358 10 0 DGAERO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000514244715 435418042 /nfs/dbraw/zinc/41/80/42/435418042.db2.gz MGSKBRVSZCMJPH-PIIMJCKOSA-N 1 0 314.473 3.449 10 0 DGAERO c1cnc(N[C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3)C2)nc1 ZINC000567905445 435368026 /nfs/dbraw/zinc/36/80/26/435368026.db2.gz ZXVSKIGEMKCCCD-GOSISDBHSA-N 1 0 304.397 3.316 10 0 DGAERO Cc1cccc(CCC[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000480682058 435391897 /nfs/dbraw/zinc/39/18/97/435391897.db2.gz RBIYYXPWXWRJEF-HXUWFJFHSA-N 1 0 322.452 3.491 10 0 DGAERO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480766549 435392897 /nfs/dbraw/zinc/39/28/97/435392897.db2.gz RNKJCWPICIQANC-QZTJIDSGSA-N 1 0 317.477 3.223 10 0 DGAERO CC(C)CC(CC(C)C)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480773409 435394698 /nfs/dbraw/zinc/39/46/98/435394698.db2.gz YUODVKDEKWOHAW-UHFFFAOYSA-N 1 0 319.493 3.469 10 0 DGAERO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2C[C@@H](C)CC2(C)C)cc1 ZINC000537624021 435457014 /nfs/dbraw/zinc/45/70/14/435457014.db2.gz GJZKVLFTDRWRNT-KBPBESRZSA-N 1 0 305.418 3.247 10 0 DGAERO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000568350218 435427198 /nfs/dbraw/zinc/42/71/98/435427198.db2.gz UGJMUPKALWKMJM-AWEZNQCLSA-N 1 0 307.397 3.127 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccccc2)C1(CC)CC ZINC000537293170 435435866 /nfs/dbraw/zinc/43/58/66/435435866.db2.gz XMRVJXYKTWOTQW-FGTMMUONSA-N 1 0 305.462 3.336 10 0 DGAERO Cc1ncccc1C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000538826971 435526181 /nfs/dbraw/zinc/52/61/81/435526181.db2.gz CLDDOGVCNSXEBH-OAHLLOKOSA-N 1 0 304.434 3.334 10 0 DGAERO c1ccc2c(c1)O[C@H](C[NH2+][C@H]1CCCC13CCOCC3)CS2 ZINC000515383258 435481870 /nfs/dbraw/zinc/48/18/70/435481870.db2.gz ZMGLOYJVJFZQJP-PBHICJAKSA-N 1 0 319.470 3.479 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccccc2)C1(C)C ZINC000538394417 435498303 /nfs/dbraw/zinc/49/83/03/435498303.db2.gz ZESGBRDWRVYBOV-KZNAEPCWSA-N 1 0 305.462 3.336 10 0 DGAERO OC[C@H]1CC[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000539980284 435583118 /nfs/dbraw/zinc/58/31/18/435583118.db2.gz YLWJSJUBWDZGIT-CTYIDZIISA-N 1 0 302.443 3.451 10 0 DGAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)Cc1ccccc1 ZINC000485985395 435586342 /nfs/dbraw/zinc/58/63/42/435586342.db2.gz PESXFCTXIPJVAS-MHORFTMASA-N 1 0 316.489 3.348 10 0 DGAERO O[C@H](C[NH2+][C@@H]1C[C@H]1C1CC1)COc1ccc(Cl)cc1Cl ZINC000570082371 435587857 /nfs/dbraw/zinc/58/78/57/435587857.db2.gz JUHRDBXOCUYAGV-MBNYWOFBSA-N 1 0 316.228 3.121 10 0 DGAERO c1nc(C2CC[NH+](Cc3conc3Cc3ccccc3)CC2)c[nH]1 ZINC000570113294 435590505 /nfs/dbraw/zinc/59/05/05/435590505.db2.gz OUIYBXCRSAPHDT-UHFFFAOYSA-N 1 0 322.412 3.368 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(CSC)c2)C1 ZINC000518334915 435634111 /nfs/dbraw/zinc/63/41/11/435634111.db2.gz LHBBEPOUZSECCW-AWEZNQCLSA-N 1 0 307.463 3.013 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000540516765 435606629 /nfs/dbraw/zinc/60/66/29/435606629.db2.gz YFRAOGCIMSQKNP-UHFFFAOYSA-N 1 0 304.478 3.327 10 0 DGAERO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H]3CC[C@@H]3C3CCC3)n2)c1 ZINC000570698547 435641709 /nfs/dbraw/zinc/64/17/09/435641709.db2.gz JERRKZRGQPHKJE-CFVMTHIKSA-N 1 0 311.433 3.404 10 0 DGAERO c1cnc(N2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCCC4)C2)nc1 ZINC000490506446 435659334 /nfs/dbraw/zinc/65/93/34/435659334.db2.gz BPSSTAZYRGVYNY-IBGZPJMESA-N 1 0 322.456 3.114 10 0 DGAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]C/C=C\c2ccc(F)cc2)cn1 ZINC000548020581 435660897 /nfs/dbraw/zinc/66/08/97/435660897.db2.gz LVIZJASGPBTEOR-IMQXRCJOSA-N 1 0 315.392 3.082 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)NCCCCCc1ccc(F)cc1 ZINC000548005357 435661680 /nfs/dbraw/zinc/66/16/80/435661680.db2.gz NLZKPQBWZHIUGO-UHFFFAOYSA-N 1 0 323.456 3.132 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000490750156 435676970 /nfs/dbraw/zinc/67/69/70/435676970.db2.gz GRZNOOHBBDVCPI-UHFFFAOYSA-N 1 0 317.396 3.098 10 0 DGAERO c1ccc(-c2nnc(CN3CCOC[C@@H]3CC3CCC3)o2)cc1 ZINC000571228588 435689291 /nfs/dbraw/zinc/68/92/91/435689291.db2.gz CEPWZZSMIMFOFA-INIZCTEOSA-N 1 0 313.401 3.128 10 0 DGAERO c1csc(-c2noc(CCC[N@@H+]3CC[C@H](C4CC4)C3)n2)c1 ZINC000491107918 435705106 /nfs/dbraw/zinc/70/51/06/435705106.db2.gz FFGVKYFJLRVMJJ-ZDUSSCGKSA-N 1 0 303.431 3.463 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000572193995 435792248 /nfs/dbraw/zinc/79/22/48/435792248.db2.gz AJJXZYRMTDLFSF-IBGZPJMESA-N 1 0 314.473 3.188 10 0 DGAERO c1ccc(OCCCC[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000552147246 435886571 /nfs/dbraw/zinc/88/65/71/435886571.db2.gz VASZXZBBXQNMGW-RBUKOAKNSA-N 1 0 301.430 3.489 10 0 DGAERO Brc1cccnc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656608854 435983299 /nfs/dbraw/zinc/98/32/99/435983299.db2.gz NRKKXQVPOYPQOP-CYBMUJFWSA-N 1 0 324.266 3.060 10 0 DGAERO Cc1cc(C)[nH+]c(NC[C@@H]2CCCO[C@H]2c2nccn2C)c1 ZINC000656768327 436034659 /nfs/dbraw/zinc/03/46/59/436034659.db2.gz JAJZHGFFQOQKDP-GOEBONIOSA-N 1 0 300.406 3.012 10 0 DGAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662037511 436253669 /nfs/dbraw/zinc/25/36/69/436253669.db2.gz IEDFIKJXZQTOHK-RTBURBONSA-N 1 0 303.446 3.076 10 0 DGAERO Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261714845 301825861 /nfs/dbraw/zinc/82/58/61/301825861.db2.gz JNSSPWZXNDMOEU-MKXGPGLRSA-N 1 0 314.473 3.465 10 0 DGAERO Cc1ccccc1[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000112214425 302193776 /nfs/dbraw/zinc/19/37/76/302193776.db2.gz WAGDETZHORWLOD-DOTOQJQBSA-N 1 0 303.450 3.086 10 0 DGAERO CCc1cc(C)c(C(=O)N2CCC(CCC[NH+](C)C)CC2)o1 ZINC000133615452 312672315 /nfs/dbraw/zinc/67/23/15/312672315.db2.gz JNKBQLGQHUUHGI-UHFFFAOYSA-N 1 0 306.450 3.344 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000170788661 312702139 /nfs/dbraw/zinc/70/21/39/312702139.db2.gz WQMOXQOCAYBZEL-IRXDYDNUSA-N 1 0 310.482 3.059 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000172505605 312749810 /nfs/dbraw/zinc/74/98/10/312749810.db2.gz TWSBOACPHDJUCL-ZWKOTPCHSA-N 1 0 323.525 3.432 10 0 DGAERO CC(C)[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000172503517 312750063 /nfs/dbraw/zinc/75/00/63/312750063.db2.gz LOFOVJXJVTWNEE-MRXNPFEDSA-N 1 0 305.466 3.052 10 0 DGAERO Cc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H](C(N)=O)C3)o2)cc1 ZINC000172633616 312752569 /nfs/dbraw/zinc/75/25/69/312752569.db2.gz ISWJAYSPEHVIBV-CVEARBPZSA-N 1 0 312.413 3.389 10 0 DGAERO COc1cccc(OCC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000178528914 312790769 /nfs/dbraw/zinc/79/07/69/312790769.db2.gz NSURMUPMESGTQC-ZDUSSCGKSA-N 1 0 315.369 3.154 10 0 DGAERO CCC[C@H](C)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000179612215 312810885 /nfs/dbraw/zinc/81/08/85/312810885.db2.gz BQLVVWAAAJUGTH-INIZCTEOSA-N 1 0 302.462 3.451 10 0 DGAERO CCC(CC)[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000179791376 312816722 /nfs/dbraw/zinc/81/67/22/312816722.db2.gz OFUOBLPRLXLKAT-WMLDXEAASA-N 1 0 311.491 3.434 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3N[C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218279 313341611 /nfs/dbraw/zinc/34/16/11/313341611.db2.gz INKKFMDKJQQLLJ-IEBWSBKVSA-N 1 0 312.457 3.263 10 0 DGAERO c1ccc([C@H](C[C@H]2CCOC2)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222789 313342486 /nfs/dbraw/zinc/34/24/86/313342486.db2.gz RQQKYVTUCRAZRX-NJAFHUGGSA-N 1 0 300.446 3.029 10 0 DGAERO CC(C)CC[NH+]1CCC(CNC(=O)NCCCC2CC2)CC1 ZINC000530952074 313419950 /nfs/dbraw/zinc/41/99/50/313419950.db2.gz HADXITIGQPDNKT-UHFFFAOYSA-N 1 0 309.498 3.234 10 0 DGAERO c1ccc2nc(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)ccc2c1 ZINC000531911758 313502080 /nfs/dbraw/zinc/50/20/80/313502080.db2.gz GDAVYLTULOBTFR-MSOLQXFVSA-N 1 0 311.429 3.290 10 0 DGAERO c1cnc2c(c1)cccc2C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000535192360 313704468 /nfs/dbraw/zinc/70/44/68/313704468.db2.gz WFROMHDRWMTOBS-UHFFFAOYSA-N 1 0 304.397 3.235 10 0 DGAERO CC(C)CC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)C(C)(C)C ZINC000537289176 313806094 /nfs/dbraw/zinc/80/60/94/313806094.db2.gz CIENQTSWWPUWEZ-HNNXBMFYSA-N 1 0 303.512 3.252 10 0 DGAERO CC(C)NC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000537969369 313842651 /nfs/dbraw/zinc/84/26/51/313842651.db2.gz WMPSCXTXECYWHA-SFHVURJKSA-N 1 0 302.462 3.292 10 0 DGAERO Cc1ccc2c(CC(=O)N(C)CCC[NH+](C)C)coc2c1C ZINC000538315434 313856358 /nfs/dbraw/zinc/85/63/58/313856358.db2.gz ZVVCOPTWVOOTPL-UHFFFAOYSA-N 1 0 302.418 3.002 10 0 DGAERO COC[C@H]([NH2+]CCOc1cccc(C)c1)c1ccc(F)cc1 ZINC000539379516 313909812 /nfs/dbraw/zinc/90/98/12/313909812.db2.gz FDTAQZOROLCVSF-SFHVURJKSA-N 1 0 303.377 3.490 10 0 DGAERO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000540162968 313950083 /nfs/dbraw/zinc/95/00/83/313950083.db2.gz HKBMAOOTGZUHCQ-HOCLYGCPSA-N 1 0 324.415 3.291 10 0 DGAERO c1c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)[nH]nc1-c1cccnc1 ZINC000540625620 313969450 /nfs/dbraw/zinc/96/94/50/313969450.db2.gz VBDQMJNUALKARM-OAHLLOKOSA-N 1 0 312.417 3.053 10 0 DGAERO COc1ccc(C)cc1NC(=O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000541318004 314007101 /nfs/dbraw/zinc/00/71/01/314007101.db2.gz IPFQAZKWFSNLSI-HNNXBMFYSA-N 1 0 302.418 3.230 10 0 DGAERO C[N@H+](C[C@@H]1CC=CCC1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000541313471 314007029 /nfs/dbraw/zinc/00/70/29/314007029.db2.gz LXFCROYAQNRBIU-CZUORRHYSA-N 1 0 320.383 3.358 10 0 DGAERO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@H]1CC=CCC1 ZINC000541316630 314007155 /nfs/dbraw/zinc/00/71/55/314007155.db2.gz XGSXKVSLQJUMSO-HNNXBMFYSA-N 1 0 306.837 3.244 10 0 DGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000541341081 314010213 /nfs/dbraw/zinc/01/02/13/314010213.db2.gz DLHVLLWXHXUIKD-SJORKVTESA-N 1 0 321.509 3.495 10 0 DGAERO C[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)C[C@@H]1CC=CCC1 ZINC000541554544 314022253 /nfs/dbraw/zinc/02/22/53/314022253.db2.gz JXOHGDGWHHRVGZ-CQSZACIVSA-N 1 0 300.381 3.195 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000541714973 314032950 /nfs/dbraw/zinc/03/29/50/314032950.db2.gz DXSPFEKKBYRUSQ-UHFFFAOYSA-N 1 0 320.824 3.304 10 0 DGAERO C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1CCOCC1 ZINC000541773359 314037667 /nfs/dbraw/zinc/03/76/67/314037667.db2.gz YAHCHNWMTBSREZ-UHFFFAOYSA-N 1 0 321.314 3.378 10 0 DGAERO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000542249306 314064685 /nfs/dbraw/zinc/06/46/85/314064685.db2.gz KRBGLMGVQPZBNB-ZWKOTPCHSA-N 1 0 303.446 3.331 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000542425785 314075102 /nfs/dbraw/zinc/07/51/02/314075102.db2.gz AIWPTSUVLKBZAK-IRXDYDNUSA-N 1 0 304.478 3.456 10 0 DGAERO COC(=O)c1ccc(-c2nc(C[N@@H+]3C[C@@H](C)C[C@@H]3C)co2)cc1 ZINC000542933197 314107250 /nfs/dbraw/zinc/10/72/50/314107250.db2.gz XOLIZOFPUMYPIW-STQMWFEESA-N 1 0 314.385 3.359 10 0 DGAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CC=CCC1 ZINC000543299859 314126350 /nfs/dbraw/zinc/12/63/50/314126350.db2.gz DUKXSSKRKKPMEI-XDNAFOTISA-N 1 0 321.509 3.351 10 0 DGAERO CC1CC[NH+](CCCNC(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000543305955 314126487 /nfs/dbraw/zinc/12/64/87/314126487.db2.gz DGECLRFOLSVSQS-KRWDZBQOSA-N 1 0 307.482 3.106 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000543340668 314128309 /nfs/dbraw/zinc/12/83/09/314128309.db2.gz YYRLVTTYBUMMRK-MSOLQXFVSA-N 1 0 321.509 3.352 10 0 DGAERO OC[C@@H]([NH2+]CCc1ccccc1)c1ccc(Br)cc1 ZINC000543840158 314159859 /nfs/dbraw/zinc/15/98/59/314159859.db2.gz PJXHJKRXAVSSOB-MRXNPFEDSA-N 1 0 320.230 3.315 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000544254243 314182577 /nfs/dbraw/zinc/18/25/77/314182577.db2.gz OZZDKOJRDFGIMT-FUHWJXTLSA-N 1 0 315.461 3.287 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545154468 314228797 /nfs/dbraw/zinc/22/87/97/314228797.db2.gz MNUXXTLCEGMCOM-UHFFFAOYSA-N 1 0 307.825 3.422 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc2c1OCO2 ZINC000545199373 314232339 /nfs/dbraw/zinc/23/23/39/314232339.db2.gz YSUWFZVROCJOCN-BRWVUGGUSA-N 1 0 317.429 3.143 10 0 DGAERO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC12CCC2 ZINC000546049597 314288369 /nfs/dbraw/zinc/28/83/69/314288369.db2.gz HERFBRGFLQYZQQ-GFCCVEGCSA-N 1 0 316.228 3.362 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)C[C@@H](C)c2ccccc2)CC1 ZINC000546565412 314311136 /nfs/dbraw/zinc/31/11/36/314311136.db2.gz ANIRMWYXJJLDBS-QGZVFWFLSA-N 1 0 315.461 3.084 10 0 DGAERO Cc1ccc(C[NH2+]CCOCC2CCC2)c(-c2cnn(C)c2)c1 ZINC000549247635 314501176 /nfs/dbraw/zinc/50/11/76/314501176.db2.gz YXLPOWZXWNJSFZ-UHFFFAOYSA-N 1 0 313.445 3.302 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]CCOCC2CCC2)c(C)c1OC ZINC000552280325 314609133 /nfs/dbraw/zinc/60/91/33/314609133.db2.gz DIFXMFOHYJETFT-CQSZACIVSA-N 1 0 321.461 3.350 10 0 DGAERO c1ccc(C2CC(C[NH2+]Cc3cnc(N4CCCC4)nc3)C2)cc1 ZINC000554921993 314705690 /nfs/dbraw/zinc/70/56/90/314705690.db2.gz GSUOIMWWOKRBDC-UHFFFAOYSA-N 1 0 322.456 3.360 10 0 DGAERO COc1nc2ccccc2cc1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000555340923 314720565 /nfs/dbraw/zinc/72/05/65/314720565.db2.gz XQWSGBMKTJQNBU-QGZVFWFLSA-N 1 0 322.412 3.144 10 0 DGAERO c1cc(-c2noc(-c3cccc(C[NH+]4CCCCC4)c3)n2)no1 ZINC000562843346 315056946 /nfs/dbraw/zinc/05/69/46/315056946.db2.gz JBJNXBIWZUWQNR-UHFFFAOYSA-N 1 0 310.357 3.378 10 0 DGAERO C[C@@H](F)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000564076122 315155420 /nfs/dbraw/zinc/15/54/20/315155420.db2.gz HWTOXMDHKWBXTA-ZJUUUORDSA-N 1 0 310.196 3.071 10 0 DGAERO CO[C@H](C)CC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000564340462 315170867 /nfs/dbraw/zinc/17/08/67/315170867.db2.gz LMRAGOXEFYHDIL-MLGOLLRUSA-N 1 0 307.825 3.178 10 0 DGAERO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCOCC2CCC2)c(C)c1 ZINC000564654034 315189315 /nfs/dbraw/zinc/18/93/15/315189315.db2.gz GFTNMDVSAOENHN-INIZCTEOSA-N 1 0 318.461 3.427 10 0 DGAERO Fc1ccc(/C=C\CN2CC[NH2+]C[C@H]2c2cccnc2)c(F)c1 ZINC000564973339 315216372 /nfs/dbraw/zinc/21/63/72/315216372.db2.gz AFJFOVFGEPEDBN-VEXQSBSHSA-N 1 0 315.367 3.020 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000565658518 315277797 /nfs/dbraw/zinc/27/77/97/315277797.db2.gz PKGBWQWFBBDAEK-ROUUACIJSA-N 1 0 310.445 3.183 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000565658519 315277974 /nfs/dbraw/zinc/27/79/74/315277974.db2.gz PKGBWQWFBBDAEK-ZWKOTPCHSA-N 1 0 310.445 3.183 10 0 DGAERO Brc1cc2c(c(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)c1)OCC2 ZINC000568782842 315536393 /nfs/dbraw/zinc/53/63/93/315536393.db2.gz GEJYTOMROKXSHS-WDNDVIMCSA-N 1 0 308.219 3.272 10 0 DGAERO c1csc(-c2noc(CN3CCOCC34CCCCC4)n2)c1 ZINC000575989799 316083175 /nfs/dbraw/zinc/08/31/75/316083175.db2.gz VQZLZGYBUPJYDL-UHFFFAOYSA-N 1 0 319.430 3.333 10 0 DGAERO C[C@@](O)(C[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000578063483 316299519 /nfs/dbraw/zinc/29/95/19/316299519.db2.gz XAPSREFIIGBHGG-SHARSMKWSA-N 1 0 323.399 3.143 10 0 DGAERO CCn1c(C[NH2+][C@H](C)C2CCOCC2)nc2cc(F)ccc21 ZINC000179851712 323215815 /nfs/dbraw/zinc/21/58/15/323215815.db2.gz DHULPUMDNCIKML-GFCCVEGCSA-N 1 0 305.397 3.100 10 0 DGAERO Cc1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1F ZINC000179987104 323219230 /nfs/dbraw/zinc/21/92/30/323219230.db2.gz IYRXQQNYYWUDRM-UHFFFAOYSA-N 1 0 307.413 3.376 10 0 DGAERO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)o1 ZINC000180138334 323221980 /nfs/dbraw/zinc/22/19/80/323221980.db2.gz IUYBBKIRBKMQLI-IAGOWNOFSA-N 1 0 312.413 3.326 10 0 DGAERO CCC[C@H](C[N@@H+]1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000180129044 323222181 /nfs/dbraw/zinc/22/21/81/323222181.db2.gz CEOJTWMGLNIKTQ-MOPGFXCFSA-N 1 0 313.445 3.168 10 0 DGAERO Cc1cccc(CCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180144085 323222665 /nfs/dbraw/zinc/22/26/65/323222665.db2.gz FLNYXJRQLOYNJU-PZJWPPBQSA-N 1 0 322.452 3.489 10 0 DGAERO CCCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180491305 323230454 /nfs/dbraw/zinc/23/04/54/323230454.db2.gz VCMDHHADSMCUKI-LPHOPBHVSA-N 1 0 320.477 3.237 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180488866 323230888 /nfs/dbraw/zinc/23/08/88/323230888.db2.gz YKYKUWLEQODWIK-LPHOPBHVSA-N 1 0 320.477 3.093 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+]C1C3CC4CC(C3)CC1C4)CC2 ZINC000180516612 323231269 /nfs/dbraw/zinc/23/12/69/323231269.db2.gz IKJWYVPHSXOIRI-STWSTGMMSA-N 1 0 314.477 3.131 10 0 DGAERO CCC[C@@H]([NH2+][C@H]1CCc2nc(CC)nn2C1)C1CCCCC1 ZINC000180620569 323234067 /nfs/dbraw/zinc/23/40/67/323234067.db2.gz FAPSSKFHNDCITP-JKSUJKDBSA-N 1 0 304.482 3.494 10 0 DGAERO CCCc1cnc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)s1 ZINC000180804830 323238739 /nfs/dbraw/zinc/23/87/39/323238739.db2.gz HKUFEVAERPMDSR-STQMWFEESA-N 1 0 322.478 3.186 10 0 DGAERO CC(C)[NH+](CCNC(=O)c1c[nH]c2cc(F)ccc12)C(C)C ZINC000181043887 323244916 /nfs/dbraw/zinc/24/49/16/323244916.db2.gz YYMPGTGVUMRPMI-UHFFFAOYSA-N 1 0 305.397 3.156 10 0 DGAERO CCn1c2ccccc2nc1NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000181168809 323248041 /nfs/dbraw/zinc/24/80/41/323248041.db2.gz SDFSNJYALHVGNL-KGLIPLIRSA-N 1 0 314.433 3.292 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000181184942 323248062 /nfs/dbraw/zinc/24/80/62/323248062.db2.gz KCGQIWUGXJDJQY-UHFFFAOYSA-N 1 0 317.408 3.301 10 0 DGAERO Fc1cccc(C[C@@H]2CCC[N@@H+]2CCO[C@@H]2CCCCO2)c1 ZINC000181661798 323263219 /nfs/dbraw/zinc/26/32/19/323263219.db2.gz BRFSQGJHYDEEQM-ZWKOTPCHSA-N 1 0 307.409 3.376 10 0 DGAERO CCC[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1ccc(F)cc1F ZINC000181675176 323264279 /nfs/dbraw/zinc/26/42/79/323264279.db2.gz WZSXKUOGQNWEOL-IAQYHMDHSA-N 1 0 319.417 3.076 10 0 DGAERO CC[C@H](NC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1nccs1 ZINC000181807304 323270263 /nfs/dbraw/zinc/27/02/63/323270263.db2.gz VCDACSNBOQVAQW-KGLIPLIRSA-N 1 0 324.494 3.158 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)C1(C)C ZINC000181891733 323273989 /nfs/dbraw/zinc/27/39/89/323273989.db2.gz GMUQXQGHEFQPBD-VHDGCEQUSA-N 1 0 323.868 3.107 10 0 DGAERO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000181928889 323275270 /nfs/dbraw/zinc/27/52/70/323275270.db2.gz GIKDOZLQLXPVRC-GJZGRUSLSA-N 1 0 316.445 3.285 10 0 DGAERO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182035816 323280481 /nfs/dbraw/zinc/28/04/81/323280481.db2.gz OXEQZKJRFVKUSC-FUHWJXTLSA-N 1 0 302.462 3.103 10 0 DGAERO CCNC(=O)c1ccc(C[NH2+]C[C@H](C)Cc2ccccc2)cc1 ZINC000182053404 323281002 /nfs/dbraw/zinc/28/10/02/323281002.db2.gz IQTHBJPWMUVFPR-MRXNPFEDSA-N 1 0 310.441 3.405 10 0 DGAERO CCC[C@H]1C[N@H+](C[C@@H](C)Cc2ccccc2)CCN1CCOC ZINC000182044163 323281006 /nfs/dbraw/zinc/28/10/06/323281006.db2.gz KCPJZDXPHPOMHO-ICSRJNTNSA-N 1 0 318.505 3.298 10 0 DGAERO CCNC(=O)c1cccc(C[NH2+]C[C@H](C)Cc2ccccc2)c1 ZINC000182054979 323282234 /nfs/dbraw/zinc/28/22/34/323282234.db2.gz WHLJOLISUTXVKN-MRXNPFEDSA-N 1 0 310.441 3.405 10 0 DGAERO Cc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000182278257 323290084 /nfs/dbraw/zinc/29/00/84/323290084.db2.gz WDHHTOLXEUYNIZ-CYBMUJFWSA-N 1 0 312.369 3.013 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ccccn3)C1)CCCO2 ZINC000182389840 323296851 /nfs/dbraw/zinc/29/68/51/323296851.db2.gz UAOZOCIPFLFZDU-SJLPKXTDSA-N 1 0 323.440 3.472 10 0 DGAERO CCC[C@H](C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)[NH+](C)C ZINC000182451973 323299944 /nfs/dbraw/zinc/29/99/44/323299944.db2.gz YEVWCANVOMDURI-HUUCEWRRSA-N 1 0 324.852 3.400 10 0 DGAERO CCc1cnccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000182510845 323302219 /nfs/dbraw/zinc/30/22/19/323302219.db2.gz QHIDUQKDMGRVCW-UHFFFAOYSA-N 1 0 323.440 3.170 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000182869024 323314384 /nfs/dbraw/zinc/31/43/84/323314384.db2.gz MSBMSGHBIWUKHW-JTQLQIEISA-N 1 0 317.767 3.224 10 0 DGAERO CCc1cccc(CC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183169231 323328605 /nfs/dbraw/zinc/32/86/05/323328605.db2.gz PJOMXTPHFTZUPO-INIZCTEOSA-N 1 0 302.462 3.172 10 0 DGAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000183201781 323329460 /nfs/dbraw/zinc/32/94/60/323329460.db2.gz HVSQULLOLJSQLB-WBVHZDCISA-N 1 0 305.462 3.466 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)c1 ZINC000183472415 323339237 /nfs/dbraw/zinc/33/92/37/323339237.db2.gz OVZMISMVIVONDX-INIZCTEOSA-N 1 0 312.413 3.002 10 0 DGAERO CCC(CC)(C[NH2+][C@H](C)c1ccc(F)c(OC)c1)C(=O)OC ZINC000183880558 323348753 /nfs/dbraw/zinc/34/87/53/323348753.db2.gz DQMMSNXHLZCAGZ-GFCCVEGCSA-N 1 0 311.397 3.464 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCn2ccnn2)c2ccccc12 ZINC000184263134 323360437 /nfs/dbraw/zinc/36/04/37/323360437.db2.gz QRGFNBYBQWXUHW-AWEZNQCLSA-N 1 0 310.401 3.181 10 0 DGAERO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCC2CCCC2)cc1 ZINC000184920809 323377696 /nfs/dbraw/zinc/37/76/96/323377696.db2.gz IJPCCUUGKPFWJB-HNNXBMFYSA-N 1 0 309.475 3.327 10 0 DGAERO CC[C@H](NCC(=O)Nc1cc(F)ccc1F)c1nccs1 ZINC000185042804 323379178 /nfs/dbraw/zinc/37/91/78/323379178.db2.gz MRZSFUUYQZUTBI-NSHDSACASA-N 1 0 311.357 3.101 10 0 DGAERO CC[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1nccs1 ZINC000185042820 323379726 /nfs/dbraw/zinc/37/97/26/323379726.db2.gz MRZSFUUYQZUTBI-LLVKDONJSA-N 1 0 311.357 3.101 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000185316412 323386781 /nfs/dbraw/zinc/38/67/81/323386781.db2.gz VXECEIKWLHKEFS-HNNXBMFYSA-N 1 0 306.381 3.320 10 0 DGAERO CCOc1c(F)cccc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185884831 323397426 /nfs/dbraw/zinc/39/74/26/323397426.db2.gz HIHOFYPZCYGFFF-UHFFFAOYSA-N 1 0 322.424 3.076 10 0 DGAERO COC[C@H](C)CNc1cc(C[NH+]2CCSCC2)ccc1C ZINC000187584533 323416829 /nfs/dbraw/zinc/41/68/29/323416829.db2.gz WZAGQQSZQFNNLD-CQSZACIVSA-N 1 0 308.491 3.238 10 0 DGAERO COC[C@H](C)C[NH2+][C@H](C)COc1ccccc1C(F)(F)F ZINC000187707628 323417779 /nfs/dbraw/zinc/41/77/79/323417779.db2.gz LJOHFFCLQZFVCI-VXGBXAGGSA-N 1 0 305.340 3.345 10 0 DGAERO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1cccc(O)c1 ZINC000192551871 323453860 /nfs/dbraw/zinc/45/38/60/323453860.db2.gz VHFVFUHCUKXKNO-NSHDSACASA-N 1 0 314.410 3.156 10 0 DGAERO Cn1ncc(Br)c1C[NH2+]CC(C)(C)C(C)(C)C ZINC000379929076 323610767 /nfs/dbraw/zinc/61/07/67/323610767.db2.gz UAHGTUBCXQZBAH-UHFFFAOYSA-N 1 0 302.260 3.345 10 0 DGAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncc(Cl)cc2Br)C1 ZINC000382433389 323621808 /nfs/dbraw/zinc/62/18/08/323621808.db2.gz SPCZXTACLLHWBJ-IONNQARKSA-N 1 0 304.619 3.037 10 0 DGAERO OC[C@H]([NH2+]Cc1ccsc1Br)C1CCCC1 ZINC000388728916 323654663 /nfs/dbraw/zinc/65/46/63/323654663.db2.gz CNHRMUFATXICMN-NSHDSACASA-N 1 0 304.253 3.151 10 0 DGAERO CC1(C)C[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C(C)(C)O1 ZINC000389900552 323664227 /nfs/dbraw/zinc/66/42/27/323664227.db2.gz BNYSKIZXVRUDOE-QGZVFWFLSA-N 1 0 313.445 3.367 10 0 DGAERO c1nc(-c2ccncc2)sc1CN1CCOC[C@H]1C1CCC1 ZINC000582421225 324227731 /nfs/dbraw/zinc/22/77/31/324227731.db2.gz JWYDJKQSJXFFQM-INIZCTEOSA-N 1 0 315.442 3.206 10 0 DGAERO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414969 324350798 /nfs/dbraw/zinc/35/07/98/324350798.db2.gz KTRAKWHWOPWKAP-VQIMIIECSA-N 1 0 302.462 3.228 10 0 DGAERO C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000583438611 324353897 /nfs/dbraw/zinc/35/38/97/324353897.db2.gz UPYYPHQSRHHNKW-LSDHHAIUSA-N 1 0 305.422 3.118 10 0 DGAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2CC(C(C)(C)C)C2)c1 ZINC000583495398 324361964 /nfs/dbraw/zinc/36/19/64/324361964.db2.gz CJXLSDDJALEVCU-JCYILVPMSA-N 1 0 319.445 3.043 10 0 DGAERO CC[NH+](CC)CCOc1c(Cl)cc(NC(C)=O)cc1OC ZINC000584591060 337373479 /nfs/dbraw/zinc/37/34/79/337373479.db2.gz CFOXRHQTMLDDAI-UHFFFAOYSA-N 1 0 314.813 3.028 10 0 DGAERO C[NH2+]Cc1cc(OC)c(OC)cc1[C@@H](O)c1ccc(Cl)cc1 ZINC000584595952 337374125 /nfs/dbraw/zinc/37/41/25/337374125.db2.gz CWMIARPWDHGIGN-KRWDZBQOSA-N 1 0 321.804 3.158 10 0 DGAERO [NH3+][C@H]1CCc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C1 ZINC000584626235 337376087 /nfs/dbraw/zinc/37/60/87/337376087.db2.gz VLVYKDADOVQHLC-HNNXBMFYSA-N 1 0 300.789 3.408 10 0 DGAERO O=C(Oc1ccccc1)c1cc2cc(N3CC[NH2+]CC3)ccc2o1 ZINC000584656600 337378074 /nfs/dbraw/zinc/37/80/74/337378074.db2.gz IYDAASNBLFLRFG-UHFFFAOYSA-N 1 0 322.364 3.062 10 0 DGAERO CCC[N@@H+]1C[C@@H](C(=O)OC)CC2=C1CCc1c(OC)cccc12 ZINC000584660394 337378315 /nfs/dbraw/zinc/37/83/15/337378315.db2.gz YEVGAPOOKUASJR-ZDUSSCGKSA-N 1 0 315.413 3.257 10 0 DGAERO CO[C@H]1C[C@@H]([NH2+]Cc2ccsc2Br)C1(C)C ZINC000388885217 1176983200 /nfs/dbraw/zinc/98/32/00/1176983200.db2.gz KMHNGWNVESMLFX-ZJUUUORDSA-N 1 0 304.253 3.414 10 0 DGAERO Cc1nccn1CC[NH2+]Cc1ccc(C)cc1Br ZINC000385078684 1177154071 /nfs/dbraw/zinc/15/40/71/1177154071.db2.gz WBMRDRVZVANTGG-UHFFFAOYSA-N 1 0 308.223 3.052 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(C(C)(C)C)n1 ZINC000245441676 500741670 /nfs/dbraw/zinc/74/16/70/500741670.db2.gz VPXQMZVDCCXOSA-GJZGRUSLSA-N 1 0 307.507 3.499 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)o1 ZINC000328625613 533746494 /nfs/dbraw/zinc/74/64/94/533746494.db2.gz DIVNEAFRONVWAD-BLBBIFAFSA-N 1 0 315.417 3.146 10 0 DGAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)C2CCCC2)o1 ZINC000172233973 533882936 /nfs/dbraw/zinc/88/29/36/533882936.db2.gz KIRYUZYGJZVUIE-HNNXBMFYSA-N 1 0 321.465 3.240 10 0 DGAERO C[C@H](CC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)[S@](C)=O ZINC000158122304 533941415 /nfs/dbraw/zinc/94/14/15/533941415.db2.gz APQCYJZNNAYJDS-GSDQLPOLSA-N 1 0 311.344 3.091 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1cc2ccccc2s1)N1CCOCC1 ZINC000187728835 534126773 /nfs/dbraw/zinc/12/67/73/534126773.db2.gz PHLFBVASOUSFPO-ZIAGYGMSSA-N 1 0 304.459 3.273 10 0 DGAERO Cc1nc(CC[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)cs1 ZINC000299743153 534329813 /nfs/dbraw/zinc/32/98/13/534329813.db2.gz MDCLVWYOXMOJQD-OAHLLOKOSA-N 1 0 316.474 3.016 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cn1 ZINC000156023377 519981994 /nfs/dbraw/zinc/98/19/94/519981994.db2.gz OOKZJUVZZVLYSY-UAGQMJEPSA-N 1 0 301.438 3.495 10 0 DGAERO CCN(CC(=O)NC(C)C)c1cc(C)[nH+]c2ccc(F)cc21 ZINC000152967160 520325727 /nfs/dbraw/zinc/32/57/27/520325727.db2.gz NMGRMPGWIKJKGN-UHFFFAOYSA-N 1 0 303.381 3.033 10 0 DGAERO Cc1ccc2[nH+]ccc(N3CCN(Cc4ccccn4)CC3)c2c1 ZINC000302142154 534521618 /nfs/dbraw/zinc/52/16/18/534521618.db2.gz FMKSNTGSYVBXAO-UHFFFAOYSA-N 1 0 318.424 3.260 10 0 DGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157574882 521049982 /nfs/dbraw/zinc/04/99/82/521049982.db2.gz AYKTWDLIQXJDBG-KCQAQPDRSA-N 1 0 322.497 3.290 10 0 DGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157699446 521592172 /nfs/dbraw/zinc/59/21/72/521592172.db2.gz OUCYZQUIRUJIIR-JSGCOSHPSA-N 1 0 322.497 3.290 10 0 DGAERO Cc1nc2c(c(NC3CCC(C[NH+](C)C)CC3)n1)CCCC2 ZINC000302094832 534622460 /nfs/dbraw/zinc/62/24/60/534622460.db2.gz NPJYSYOSFLSUNS-UHFFFAOYSA-N 1 0 302.466 3.196 10 0 DGAERO [NH3+]CCN(Cc1ccccc1)Cc1cc(F)cc2cccnc21 ZINC000303620097 534627557 /nfs/dbraw/zinc/62/75/57/534627557.db2.gz QHZLTDOEDMXDNH-UHFFFAOYSA-N 1 0 309.388 3.335 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccs1 ZINC000089732124 522713734 /nfs/dbraw/zinc/71/37/34/522713734.db2.gz IWQMXEGDTGGERG-KGLIPLIRSA-N 1 0 302.447 3.248 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000103291976 523901213 /nfs/dbraw/zinc/90/12/13/523901213.db2.gz GLOBAMYKUBFYGH-CQSZACIVSA-N 1 0 319.449 3.247 10 0 DGAERO CC(C)(C)OC(=O)CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493813164 534745179 /nfs/dbraw/zinc/74/51/79/534745179.db2.gz FQMHDWUMMUHVDL-UHFFFAOYSA-N 1 0 305.418 3.056 10 0 DGAERO Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2coc3ccccc23)CCO1 ZINC000328657068 534815956 /nfs/dbraw/zinc/81/59/56/534815956.db2.gz ZYMOJRIMEPIOIB-RDTXWAMCSA-N 1 0 311.385 3.176 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCC(=O)OC(C)C)c1 ZINC000157450784 524914732 /nfs/dbraw/zinc/91/47/32/524914732.db2.gz XBSBEYVUWUNKRT-MRXNPFEDSA-N 1 0 321.417 3.182 10 0 DGAERO C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1cccc(Cl)c1 ZINC000156721268 525335577 /nfs/dbraw/zinc/33/55/77/525335577.db2.gz DUBNMWFNUATTSH-LLVKDONJSA-N 1 0 300.789 3.434 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(F)cc1N(C)C ZINC000154789467 525543986 /nfs/dbraw/zinc/54/39/86/525543986.db2.gz YOQJPCJGONNCTG-CYBMUJFWSA-N 1 0 316.424 3.204 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000152409786 525617102 /nfs/dbraw/zinc/61/71/02/525617102.db2.gz KYFGDEWAHOCVMC-RYRKJORJSA-N 1 0 310.445 3.038 10 0 DGAERO c1[nH]c2c(ncnc2NCC2CC[NH2+]CC2)c1-c1ccccc1 ZINC000073737706 526393405 /nfs/dbraw/zinc/39/34/05/526393405.db2.gz FOVZVCDKHLXYGQ-UHFFFAOYSA-N 1 0 307.401 3.036 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3C)C2)n1 ZINC000156987069 526442271 /nfs/dbraw/zinc/44/22/71/526442271.db2.gz QGCUHOSNYGFHNW-AWEZNQCLSA-N 1 0 304.463 3.181 10 0 DGAERO O=C(c1ccc(Cl)c(F)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154700729 526672806 /nfs/dbraw/zinc/67/28/06/526672806.db2.gz ROSKLDKTWMMLSQ-UHFFFAOYSA-N 1 0 324.827 3.427 10 0 DGAERO Clc1ccc(CCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000158068876 526941355 /nfs/dbraw/zinc/94/13/55/526941355.db2.gz BPYJQBFILFJRPP-MRXNPFEDSA-N 1 0 318.852 3.276 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000432493462 527139055 /nfs/dbraw/zinc/13/90/55/527139055.db2.gz BMFDFMNCVYJLTC-MRXNPFEDSA-N 1 0 324.509 3.495 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000154789417 527142893 /nfs/dbraw/zinc/14/28/93/527142893.db2.gz QLOZRNAOUKRATQ-JKSUJKDBSA-N 1 0 310.482 3.010 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000155063291 527143454 /nfs/dbraw/zinc/14/34/54/527143454.db2.gz DVXFUCBAAVDIGT-NVXWUHKLSA-N 1 0 310.482 3.009 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC(C)=C[C@H](C)C2)cc1 ZINC000430287333 527296525 /nfs/dbraw/zinc/29/65/25/527296525.db2.gz XDFIZMCJNDGJOM-ZDUSSCGKSA-N 1 0 300.402 3.116 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000415455906 527302186 /nfs/dbraw/zinc/30/21/86/527302186.db2.gz SDTPQIAXBSCJQL-PWSUYJOCSA-N 1 0 323.824 3.134 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000433007548 527398911 /nfs/dbraw/zinc/39/89/11/527398911.db2.gz VKDRRSRCOCRABS-UZFJHYNOSA-N 1 0 314.429 3.385 10 0 DGAERO O=c1cc(C[NH+]2CCCCC2)nc(-c2ccc(Cl)cc2)[nH]1 ZINC000073637700 527475936 /nfs/dbraw/zinc/47/59/36/527475936.db2.gz BOXZULOLTCXXJV-UHFFFAOYSA-N 1 0 303.793 3.076 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000328206643 527810891 /nfs/dbraw/zinc/81/08/91/527810891.db2.gz AMRGMFBBWUFPEX-LLVKDONJSA-N 1 0 302.187 3.245 10 0 DGAERO CCOc1c(F)cccc1C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000175232708 528179986 /nfs/dbraw/zinc/17/99/86/528179986.db2.gz MXPXSDIQTPRCDT-CJNGLKHVSA-N 1 0 322.424 3.027 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2nc(CC)c(C)s2)CC1 ZINC000174335777 528187247 /nfs/dbraw/zinc/18/72/47/528187247.db2.gz LSPWEZATQNZBOP-UHFFFAOYSA-N 1 0 324.494 3.257 10 0 DGAERO CC(C)Oc1nccnc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000302226347 528287335 /nfs/dbraw/zinc/28/73/35/528287335.db2.gz PLTMRQUYOOAAAJ-MRXNPFEDSA-N 1 0 318.465 3.109 10 0 DGAERO CCCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000174848918 528762241 /nfs/dbraw/zinc/76/22/41/528762241.db2.gz SMEWSCXGTHLGTA-GDBMZVCRSA-N 1 0 319.449 3.422 10 0 DGAERO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cnc(N(C)C)nc1 ZINC000443858927 528763756 /nfs/dbraw/zinc/76/37/56/528763756.db2.gz XJSZVPXSUZHKTA-UHFFFAOYSA-N 1 0 309.417 3.046 10 0 DGAERO CC[N@H+](Cc1ccc(F)c(Br)c1)[C@H]1CCOC1 ZINC000310551334 528786625 /nfs/dbraw/zinc/78/66/25/528786625.db2.gz UOUZBNYBUOGDDC-NSHDSACASA-N 1 0 302.187 3.199 10 0 DGAERO CCC(CC)[C@H](CNC(=O)N1CCC12CCC2)[NH+]1CCCC1 ZINC000435575265 528853040 /nfs/dbraw/zinc/85/30/40/528853040.db2.gz CNBYFXQLAOYKCO-INIZCTEOSA-N 1 0 307.482 3.225 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NCC(C(C)C)C(C)C)CC1 ZINC000446203789 528963313 /nfs/dbraw/zinc/96/33/13/528963313.db2.gz AKZWQPIQHCSJMW-UHFFFAOYSA-N 1 0 311.514 3.336 10 0 DGAERO CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000184653229 529035856 /nfs/dbraw/zinc/03/58/56/529035856.db2.gz DGCYUYSHCAECFO-HNNXBMFYSA-N 1 0 318.461 3.008 10 0 DGAERO CC[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443617383 529220279 /nfs/dbraw/zinc/22/02/79/529220279.db2.gz WLFPHNQTEOQJNJ-KBPBESRZSA-N 1 0 301.352 3.483 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCCC[C@@H]2C)CC1 ZINC000465709396 535448289 /nfs/dbraw/zinc/44/82/89/535448289.db2.gz CUMOSZLTTLTWCP-DOTOQJQBSA-N 1 0 309.498 3.234 10 0 DGAERO CC[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cccs1 ZINC000449086366 535806195 /nfs/dbraw/zinc/80/61/95/535806195.db2.gz RCVDUPZBIJMUAM-CQSZACIVSA-N 1 0 309.456 3.393 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000041110971 545676260 /nfs/dbraw/zinc/67/62/60/545676260.db2.gz UORAOQANLCSKJQ-WMLDXEAASA-N 1 0 308.441 3.412 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(-c2nccs2)cc1 ZINC000054307543 545700639 /nfs/dbraw/zinc/70/06/39/545700639.db2.gz HCZPCGBXYQUYLX-LBPRGKRZSA-N 1 0 301.415 3.138 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000079927799 545761327 /nfs/dbraw/zinc/76/13/27/545761327.db2.gz NTDWGCDPULJEEG-GWCFXTLKSA-N 1 0 301.217 3.313 10 0 DGAERO CC(C)c1csc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)n1 ZINC000087618751 545805981 /nfs/dbraw/zinc/80/59/81/545805981.db2.gz AYDYZVQQFSNYNV-CYBMUJFWSA-N 1 0 301.415 3.092 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000088083754 545807218 /nfs/dbraw/zinc/80/72/18/545807218.db2.gz KONUNJHGLCOVRC-UHFFFAOYSA-N 1 0 315.186 3.044 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000089462078 545814564 /nfs/dbraw/zinc/81/45/64/545814564.db2.gz OJNULHXVOBNUME-WPRPVWTQSA-N 1 0 304.287 3.158 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089454037 545814829 /nfs/dbraw/zinc/81/48/29/545814829.db2.gz REHFKUTVIMFXQE-PWSUYJOCSA-N 1 0 311.223 3.071 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000089741388 545819886 /nfs/dbraw/zinc/81/98/86/545819886.db2.gz YHKMRTZUOOSLPI-MRVPVSSYSA-N 1 0 306.715 3.297 10 0 DGAERO Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)s1 ZINC000090880079 545831494 /nfs/dbraw/zinc/83/14/94/545831494.db2.gz NICCRBUZARPASH-NEPJUHHUSA-N 1 0 313.430 3.444 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1C ZINC000093585430 545858701 /nfs/dbraw/zinc/85/87/01/545858701.db2.gz PIAKNELEDLRWPZ-MJGOQNOKSA-N 1 0 303.446 3.439 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000127370678 545929419 /nfs/dbraw/zinc/92/94/19/545929419.db2.gz MIFWFYQIVXFJEL-PBHICJAKSA-N 1 0 317.433 3.081 10 0 DGAERO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000129476597 545942193 /nfs/dbraw/zinc/94/21/93/545942193.db2.gz WYGPGCTXDZTGEH-INIZCTEOSA-N 1 0 316.836 3.197 10 0 DGAERO CC[NH+](CC)C[C@H](C)NCc1ccc(Br)c(F)c1 ZINC000135057434 545976015 /nfs/dbraw/zinc/97/60/15/545976015.db2.gz NFKVTJUSYINLNX-NSHDSACASA-N 1 0 317.246 3.408 10 0 DGAERO CN1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000149746902 545988350 /nfs/dbraw/zinc/98/83/50/545988350.db2.gz VILTXQVGLGVKJP-LBPRGKRZSA-N 1 0 317.658 3.286 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000152970740 546006373 /nfs/dbraw/zinc/00/63/73/546006373.db2.gz MXIMREYJUVOPKY-KXBFYZLASA-N 1 0 312.461 3.423 10 0 DGAERO Cc1cccc(S(=O)(=O)CCC[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1 ZINC000155293244 546026022 /nfs/dbraw/zinc/02/60/22/546026022.db2.gz FCAJBNYOIUIJEZ-HOTGVXAUSA-N 1 0 309.475 3.279 10 0 DGAERO CC[N@H+](CCOc1ccccc1OC)CCc1nccs1 ZINC000159299494 546052836 /nfs/dbraw/zinc/05/28/36/546052836.db2.gz QUCXPLZCOVBJHA-UHFFFAOYSA-N 1 0 306.431 3.095 10 0 DGAERO O=C(c1cccc(F)c1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000165335362 546092084 /nfs/dbraw/zinc/09/20/84/546092084.db2.gz GYPZEZOUSZLRST-BXUZGUMPSA-N 1 0 310.800 3.083 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc2[nH]ccc21 ZINC000179715313 546138170 /nfs/dbraw/zinc/13/81/70/546138170.db2.gz ISYTWQLKJWSOFG-HNNXBMFYSA-N 1 0 321.424 3.418 10 0 DGAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000180035563 546140974 /nfs/dbraw/zinc/14/09/74/546140974.db2.gz ZVALXTHGZGYPGS-MRXNPFEDSA-N 1 0 313.401 3.048 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000180803837 546148957 /nfs/dbraw/zinc/14/89/57/546148957.db2.gz XCJDLRIBQXCJLA-NSHDSACASA-N 1 0 314.364 3.406 10 0 DGAERO CCCN(C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000181052304 546151822 /nfs/dbraw/zinc/15/18/22/546151822.db2.gz IMSDLACAWMXKMC-HNNXBMFYSA-N 1 0 303.450 3.091 10 0 DGAERO CC(C)CN(C(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000181631517 546159615 /nfs/dbraw/zinc/15/96/15/546159615.db2.gz MCHWFVGVJOAWFX-GFCCVEGCSA-N 1 0 310.388 3.262 10 0 DGAERO CCC[NH+]1CCC(NCc2nc3ccccc3n2C2CC2)CC1 ZINC000184408098 546182792 /nfs/dbraw/zinc/18/27/92/546182792.db2.gz QFKKCLTZMSQXAG-UHFFFAOYSA-N 1 0 312.461 3.335 10 0 DGAERO C[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC000185234863 546186928 /nfs/dbraw/zinc/18/69/28/546186928.db2.gz RVPAEGDUOYGPHG-OAHLLOKOSA-N 1 0 313.445 3.494 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185871488 546190873 /nfs/dbraw/zinc/19/08/73/546190873.db2.gz DHHDMZODMSZRJC-GUYCJALGSA-N 1 0 316.832 3.396 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCc2ccc(CC)cc2)C12CCOCC2 ZINC000186346112 546194302 /nfs/dbraw/zinc/19/43/02/546194302.db2.gz RFYFYJGSGJNZHQ-OALUTQOASA-N 1 0 317.473 3.355 10 0 DGAERO c1coc(-c2ncc(C[N@H+]3CCC[C@@H]3Cn3ccnc3)s2)c1 ZINC000194482380 546247815 /nfs/dbraw/zinc/24/78/15/546247815.db2.gz JJWGNPJVJQTEGZ-CYBMUJFWSA-N 1 0 314.414 3.264 10 0 DGAERO CC1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000232902926 546275986 /nfs/dbraw/zinc/27/59/86/546275986.db2.gz CKFKEYKVHBAPGW-JTQLQIEISA-N 1 0 304.217 3.123 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000246150000 546302138 /nfs/dbraw/zinc/30/21/38/546302138.db2.gz GWCATSCBYRFCNH-VNHYZAJKSA-N 1 0 319.424 3.120 10 0 DGAERO CCOCC[N@@H+]1CCN(CCCc2ccccc2Cl)C[C@H]1C ZINC000248448403 546317575 /nfs/dbraw/zinc/31/75/75/546317575.db2.gz HTUGELBGIVRBCO-MRXNPFEDSA-N 1 0 324.896 3.315 10 0 DGAERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c(Cl)c1 ZINC000248572478 546318980 /nfs/dbraw/zinc/31/89/80/546318980.db2.gz GKYPLMSSCTVWCY-TYNCELHUSA-N 1 0 310.825 3.133 10 0 DGAERO FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000248566715 546318998 /nfs/dbraw/zinc/31/89/98/546318998.db2.gz PCNFWFLEUWKLLM-STQMWFEESA-N 1 0 314.351 3.053 10 0 DGAERO Cc1c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccn1C ZINC000248666282 546319989 /nfs/dbraw/zinc/31/99/89/546319989.db2.gz NOLICQYUWHAWDM-WBVHZDCISA-N 1 0 317.477 3.060 10 0 DGAERO CC(C)(C)c1csc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000250373206 546328580 /nfs/dbraw/zinc/32/85/80/546328580.db2.gz WZOAHQILMXEQCO-ZIAGYGMSSA-N 1 0 307.507 3.405 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1(c2cccs2)CCCCC1 ZINC000261670443 546337762 /nfs/dbraw/zinc/33/77/62/546337762.db2.gz FXLFDKYPFNFXNW-HUUCEWRRSA-N 1 0 320.502 3.441 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000261799611 546338481 /nfs/dbraw/zinc/33/84/81/546338481.db2.gz QWCSWDGMHPIXEI-JDGDGYACSA-N 1 0 314.473 3.452 10 0 DGAERO CCCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCc2ccccc2C1 ZINC000261843436 546339260 /nfs/dbraw/zinc/33/92/60/546339260.db2.gz VCSGXZMQRUOFNO-CEXWTWQISA-N 1 0 314.473 3.158 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000262119088 546339891 /nfs/dbraw/zinc/33/98/91/546339891.db2.gz LTBWCPALOJVNDC-WPRPVWTQSA-N 1 0 307.385 3.030 10 0 DGAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCCC2 ZINC000262481116 546340681 /nfs/dbraw/zinc/34/06/81/546340681.db2.gz JZOIFAVFVFHINK-RDTXWAMCSA-N 1 0 300.446 3.275 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cscc2Br)C1 ZINC000304608968 546440779 /nfs/dbraw/zinc/44/07/79/546440779.db2.gz NJQNZKLGIUYWSW-MWLCHTKSSA-N 1 0 304.253 3.151 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000312268196 546453432 /nfs/dbraw/zinc/45/34/32/546453432.db2.gz HOKJQJZUAYHUSK-AWEZNQCLSA-N 1 0 315.230 3.162 10 0 DGAERO c1c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085869 546469200 /nfs/dbraw/zinc/46/92/00/546469200.db2.gz SRTXMYDOGPAWPE-FUHWJXTLSA-N 1 0 311.429 3.306 10 0 DGAERO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc4cc[nH]c4c3)n1)OC2 ZINC000329588512 546487581 /nfs/dbraw/zinc/48/75/81/546487581.db2.gz NAEMKOHOXUJPRA-QAPCUYQASA-N 1 0 324.384 3.144 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CC2CCC(O)CC2)CCN1Cc1ccccc1 ZINC000379628618 546735165 /nfs/dbraw/zinc/73/51/65/546735165.db2.gz NUCDRHZRTOIHRK-AILXTGBUSA-N 1 0 316.489 3.180 10 0 DGAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388587707 546749526 /nfs/dbraw/zinc/74/95/26/546749526.db2.gz HJOQQJRVPMXCNZ-VAMGGRTRSA-N 1 0 316.489 3.134 10 0 DGAERO c1cnn(-c2ccccc2C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000390151048 546753124 /nfs/dbraw/zinc/75/31/24/546753124.db2.gz JDTRJIDTRGOQQB-KRWDZBQOSA-N 1 0 304.397 3.435 10 0 DGAERO CC[C@H](Cc1ccccc1Br)[NH2+]C1CSC1 ZINC000390591354 546754563 /nfs/dbraw/zinc/75/45/63/546754563.db2.gz ZLDWWPTZWBOITE-LLVKDONJSA-N 1 0 300.265 3.475 10 0 DGAERO COc1ccc(C[NH2+][C@H]2COC(C)(C)C2)c(Br)c1 ZINC000396628740 546762343 /nfs/dbraw/zinc/76/23/43/546762343.db2.gz FVABPYOOIHACBU-LLVKDONJSA-N 1 0 314.223 3.115 10 0 DGAERO [NH3+]C1(CC(=O)N(Cc2cccs2)Cc2cccs2)CC1 ZINC000398184458 546763397 /nfs/dbraw/zinc/76/33/97/546763397.db2.gz PJRCFYBXQWNAPW-UHFFFAOYSA-N 1 0 306.456 3.220 10 0 DGAERO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc(C)cc(OC)c1C ZINC000489732249 546926585 /nfs/dbraw/zinc/92/65/85/546926585.db2.gz DMRFVTFAWAUKQK-ZDUSSCGKSA-N 1 0 307.438 3.164 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCOC1)CS2 ZINC000494456929 546934490 /nfs/dbraw/zinc/93/44/90/546934490.db2.gz PFBDOFKULGESOW-ZYHUDNBSSA-N 1 0 314.248 3.365 10 0 DGAERO Cc1ccccc1[C@@]1(C)C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055496 548148631 /nfs/dbraw/zinc/14/86/31/548148631.db2.gz UGEMAKQNNWEWGU-RDTXWAMCSA-N 1 0 304.434 3.487 10 0 DGAERO Cc1ccc(F)cc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055080 548148719 /nfs/dbraw/zinc/14/87/19/548148719.db2.gz PZGNYDNNFGKKJN-DZGCQCFKSA-N 1 0 308.397 3.452 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)nc2C)C12CCOCC2 ZINC000681139505 549167011 /nfs/dbraw/zinc/16/70/11/549167011.db2.gz WBUALCFBTWKHGA-BPQIPLTHSA-N 1 0 318.461 3.323 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)nc2C)C12CCOCC2 ZINC000681139509 549167264 /nfs/dbraw/zinc/16/72/64/549167264.db2.gz WBUALCFBTWKHGA-RYQLBKOJSA-N 1 0 318.461 3.323 10 0 DGAERO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2ccoc21 ZINC000725242766 549811141 /nfs/dbraw/zinc/81/11/41/549811141.db2.gz RSYJSELJPBBFJA-SUMWQHHRSA-N 1 0 308.422 3.190 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([C@]2(C)[NH2+]CCc3ccsc32)C1 ZINC000712515568 563320071 /nfs/dbraw/zinc/32/00/71/563320071.db2.gz NOHISLPIJGMNJN-DYVFJYSZSA-N 1 0 322.474 3.366 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@]2(C1)[NH2+]CCc1ccoc12 ZINC000724101378 563496209 /nfs/dbraw/zinc/49/62/09/563496209.db2.gz PQDXFTILJZNLPK-SUMWQHHRSA-N 1 0 306.406 3.088 10 0 DGAERO CCCCCCOCC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000730773908 574535868 /nfs/dbraw/zinc/53/58/68/574535868.db2.gz LGAHCQBTMMUVGK-BRWVUGGUSA-N 1 0 312.498 3.066 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)ccc1Br ZINC000725269643 563575183 /nfs/dbraw/zinc/57/51/83/563575183.db2.gz OVBCPNLTSVESKA-UKRRQHHQSA-N 1 0 310.235 3.272 10 0 DGAERO CCCC[N@H+](CC)Cn1cc(C(=O)OCC)c(C(F)(F)F)n1 ZINC000731494850 574550849 /nfs/dbraw/zinc/55/08/49/574550849.db2.gz LPRIZFDPQUBQLX-UHFFFAOYSA-N 1 0 321.343 3.158 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1c(F)cccc1F ZINC000675052719 563855480 /nfs/dbraw/zinc/85/54/80/563855480.db2.gz DEXCPAUDZOPDLA-GWCFXTLKSA-N 1 0 312.360 3.364 10 0 DGAERO Cc1cc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)ccc1F ZINC000675052816 563855972 /nfs/dbraw/zinc/85/59/72/563855972.db2.gz FQPGXERFAQVCBI-DZGCQCFKSA-N 1 0 308.397 3.452 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)cc(F)c1 ZINC000675054412 563861994 /nfs/dbraw/zinc/86/19/94/563861994.db2.gz NKHBPCSLKOFGEG-ZIAGYGMSSA-N 1 0 312.360 3.364 10 0 DGAERO CC[C@@H](NC(=S)NC[C@@H]1CC[N@H+](CC)C1)c1cccs1 ZINC000734375677 574658214 /nfs/dbraw/zinc/65/82/14/574658214.db2.gz UPCFEMVWENXIGE-QWHCGFSZSA-N 1 0 311.520 3.005 10 0 DGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)/C=C(/C)c1cccc(F)c1 ZINC000736101584 574730490 /nfs/dbraw/zinc/73/04/90/574730490.db2.gz LFEWKGDOHLDSKT-IFCKCIONSA-N 1 0 304.409 3.220 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@]2(CC1)[NH2+]CCc1ccoc12 ZINC000704097832 568414248 /nfs/dbraw/zinc/41/42/48/568414248.db2.gz VYENUAPLVLXXEO-QGZVFWFLSA-N 1 0 306.406 3.042 10 0 DGAERO C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740882332 574945012 /nfs/dbraw/zinc/94/50/12/574945012.db2.gz LXDPIIYJFMQAAJ-NVXWUHKLSA-N 1 0 318.461 3.464 10 0 DGAERO C[C@H](C(=O)OCCOc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000741023847 574948906 /nfs/dbraw/zinc/94/89/06/574948906.db2.gz XZNGWTCCDUIVGK-MGPQQGTHSA-N 1 0 309.381 3.009 10 0 DGAERO CC(C)C[C@@]1(C)CC(=O)N(C[N@@H+]2CCC3(C2)CCCCC3)C1=O ZINC000742165017 574983475 /nfs/dbraw/zinc/98/34/75/574983475.db2.gz JOAOSDYSKMFMDR-SFHVURJKSA-N 1 0 320.477 3.411 10 0 DGAERO C/C(=C\C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C(C)(C)C ZINC000742567747 575006413 /nfs/dbraw/zinc/00/64/13/575006413.db2.gz TZAUWOSSWMGTRA-OKACTXMXSA-N 1 0 302.462 3.268 10 0 DGAERO CCc1ccc([C@H]2C[C@@H](C)CCN2C(=S)NCC[NH+](C)C)o1 ZINC000743040458 575032552 /nfs/dbraw/zinc/03/25/52/575032552.db2.gz YDGKEAWCNFSFQQ-DZGCQCFKSA-N 1 0 323.506 3.051 10 0 DGAERO C[C@@H]1CCN(C(=S)NC2CC[NH+](C)CC2)[C@@H](c2ccco2)C1 ZINC000743067019 575034332 /nfs/dbraw/zinc/03/43/32/575034332.db2.gz QKKWATJMWRYSJZ-UKRRQHHQSA-N 1 0 321.490 3.021 10 0 DGAERO CCC[N@H+](CCSC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729543346 575255182 /nfs/dbraw/zinc/25/51/82/575255182.db2.gz PGIROCPXVZBNAF-ZDUSSCGKSA-N 1 0 302.484 3.071 10 0 DGAERO Cc1cn2c([nH+]1)NCC[C@H]2[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000236046198 575839417 /nfs/dbraw/zinc/83/94/17/575839417.db2.gz AXGKVERTLDCJIB-KBPBESRZSA-N 1 0 320.437 3.195 10 0 DGAERO C/C(=C\C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)c1cccc(F)c1 ZINC000737742051 575900356 /nfs/dbraw/zinc/90/03/56/575900356.db2.gz CZSGEYMBZUDURW-SHRNQRGKSA-N 1 0 304.409 3.028 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)C(C)(C)O ZINC000393970968 575935982 /nfs/dbraw/zinc/93/59/82/575935982.db2.gz MMGOAAZBHXCALD-DTWKUNHWSA-N 1 0 304.203 3.398 10 0 DGAERO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000709176004 575944042 /nfs/dbraw/zinc/94/40/42/575944042.db2.gz IIYRFJDMFCQBDL-SJKOYZFVSA-N 1 0 322.474 3.366 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cncs1 ZINC000398111530 575960830 /nfs/dbraw/zinc/96/08/30/575960830.db2.gz NYOKRQZPXYRHQY-RHSMWYFYSA-N 1 0 301.459 3.143 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000238853274 575998978 /nfs/dbraw/zinc/99/89/78/575998978.db2.gz IWJGXWXLGKKCJJ-ZFWWWQNUSA-N 1 0 308.397 3.125 10 0 DGAERO CC[N@H+](CCNC(=O)c1c[nH]c2cc(Cl)ccc12)C(C)C ZINC000726984376 576091811 /nfs/dbraw/zinc/09/18/11/576091811.db2.gz OXAOEOXWFFRVRX-UHFFFAOYSA-N 1 0 307.825 3.281 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727065042 576100006 /nfs/dbraw/zinc/10/00/06/576100006.db2.gz RBGSJMCBEVXZFI-UHFFFAOYSA-N 1 0 321.534 3.359 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)ccc1F ZINC000154163569 620644285 /nfs/dbraw/zinc/64/42/85/620644285.db2.gz JCBVSZTXHFMZMZ-LLVKDONJSA-N 1 0 324.396 3.104 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@@H]2CSCCS2)ccc1F ZINC000154182333 620645647 /nfs/dbraw/zinc/64/56/47/620645647.db2.gz FUEBVSOGOZZFLK-CMPLNLGQSA-N 1 0 301.452 3.334 10 0 DGAERO Cc1cccc(NC(=[NH2+])NC[C@@](C)(O)c2ccccc2Cl)c1 ZINC000154569738 620688104 /nfs/dbraw/zinc/68/81/04/620688104.db2.gz JERMQURRVRZGMH-QGZVFWFLSA-N 1 0 317.820 3.283 10 0 DGAERO CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)[N@H+](CCc2cccc(C)c2)C1 ZINC000888102838 618626339 /nfs/dbraw/zinc/62/63/39/618626339.db2.gz QBICXNJLAZDARW-MSOLQXFVSA-N 1 0 313.445 3.339 10 0 DGAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccsc1 ZINC000238850868 618654934 /nfs/dbraw/zinc/65/49/34/618654934.db2.gz DBXUSEYXIHEMLD-HOTGVXAUSA-N 1 0 301.411 3.137 10 0 DGAERO CC(=O)CC[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152615988 620515002 /nfs/dbraw/zinc/51/50/02/620515002.db2.gz VNKRBXKQBCDSRI-UHFFFAOYSA-N 1 0 310.235 3.392 10 0 DGAERO c1cnn(CC2CC[NH+](Cn3cc(-c4ccccc4)cn3)CC2)c1 ZINC000152747795 620519778 /nfs/dbraw/zinc/51/97/78/620519778.db2.gz AEUBBQMXHCQJON-UHFFFAOYSA-N 1 0 321.428 3.116 10 0 DGAERO COc1cc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)ccc1F ZINC000153846839 620617315 /nfs/dbraw/zinc/61/73/15/620617315.db2.gz IUCFQMDJKARHSJ-PRWKNARSSA-N 1 0 301.427 3.032 10 0 DGAERO CCOCCCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989961 621071584 /nfs/dbraw/zinc/07/15/84/621071584.db2.gz HSGDVBHWDQNLRG-SFHVURJKSA-N 1 0 319.445 3.259 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)N2CCCCCCC2)ccc1F ZINC000115695304 621128069 /nfs/dbraw/zinc/12/80/69/621128069.db2.gz UDMRAABKRRUTHI-UHFFFAOYSA-N 1 0 321.440 3.363 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C/c1ccnc2ccccc12 ZINC000117799386 621451987 /nfs/dbraw/zinc/45/19/87/621451987.db2.gz FGYAOHLJAKSSEQ-DVQDXYAYSA-N 1 0 323.440 3.239 10 0 DGAERO CCCCCCOc1cccc(C[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000119923975 621753987 /nfs/dbraw/zinc/75/39/87/621753987.db2.gz WLYIHFDBINDYKR-KRWDZBQOSA-N 1 0 318.461 3.356 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CSC(C)(C)C ZINC000120055838 621768878 /nfs/dbraw/zinc/76/88/78/621768878.db2.gz XIOMRQSTPFURIW-HOCLYGCPSA-N 1 0 320.502 3.155 10 0 DGAERO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000122113579 622233873 /nfs/dbraw/zinc/23/38/73/622233873.db2.gz RUODDXBUOCRYBV-GOSISDBHSA-N 1 0 317.429 3.011 10 0 DGAERO CCC[N@@H+](Cc1ccc(OC(C)=O)cc1)C[C@H]1CCCCO1 ZINC000123119088 622465103 /nfs/dbraw/zinc/46/51/03/622465103.db2.gz UEFBKMDRHSUPPY-GOSISDBHSA-N 1 0 305.418 3.393 10 0 DGAERO C[C@H]1CC[C@H](C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000123231696 622488683 /nfs/dbraw/zinc/48/86/83/622488683.db2.gz JTMWILIVOPSUTL-MAUKXSAKSA-N 1 0 317.429 3.009 10 0 DGAERO C/C(=C/C(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(F)c1 ZINC000129438515 625627725 /nfs/dbraw/zinc/62/77/25/625627725.db2.gz DASYPEIKHXEAKV-KAMYIIQDSA-N 1 0 318.436 3.466 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1Cl ZINC000126809694 624112635 /nfs/dbraw/zinc/11/26/35/624112635.db2.gz CALYSLHQHAHVEW-GXSJLCMTSA-N 1 0 322.257 3.221 10 0 DGAERO Cc1cncc(C(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000132318648 626713427 /nfs/dbraw/zinc/71/34/27/626713427.db2.gz XEWLZLXTQIJMHO-SFHVURJKSA-N 1 0 324.424 3.459 10 0 DGAERO Cc1cc(C[C@@H]([NH3+])[C@@H](C)NC(=O)OC(C)(C)C)ccc1Cl ZINC000757147244 626751665 /nfs/dbraw/zinc/75/16/65/626751665.db2.gz SZTIPXWTPDFKDG-BXUZGUMPSA-N 1 0 312.841 3.431 10 0 DGAERO CC(C)(C)OC(=O)C1(c2ccc(C(F)(F)F)cc2)CC([NH3+])C1 ZINC000757176865 626753290 /nfs/dbraw/zinc/75/32/90/626753290.db2.gz JFXUAVVRNMEERC-UHFFFAOYSA-N 1 0 315.335 3.406 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cccc(F)n2)cc1 ZINC000134000363 626849236 /nfs/dbraw/zinc/84/92/36/626849236.db2.gz DGUUMEWDWVHTQW-GFCCVEGCSA-N 1 0 324.359 3.206 10 0 DGAERO CC(=O)CC[N@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000134045649 626852522 /nfs/dbraw/zinc/85/25/22/626852522.db2.gz RAAYRUGRWVWYBM-NRFANRHFSA-N 1 0 323.436 3.302 10 0 DGAERO CC[N@H+](CCc1nccs1)Cn1cnc2cc(F)c(F)cc21 ZINC000134055636 626853125 /nfs/dbraw/zinc/85/31/25/626853125.db2.gz AQKPNLXWXQNMLN-UHFFFAOYSA-N 1 0 322.384 3.293 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCCSC1)c1ccc(C(F)(F)F)cc1 ZINC000136371909 627062492 /nfs/dbraw/zinc/06/24/92/627062492.db2.gz MEZKCQXTMQMJBT-STQMWFEESA-N 1 0 305.365 3.224 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000220947462 627212228 /nfs/dbraw/zinc/21/22/28/627212228.db2.gz OKNNUOPQDVIJHI-MJBXVCDLSA-N 1 0 323.437 3.327 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000300399627 627266192 /nfs/dbraw/zinc/26/61/92/627266192.db2.gz ZUOXFOABRGNMKW-IHRRRGAJSA-N 1 0 323.437 3.470 10 0 DGAERO CCC[N@H+](C[C@H]1CCCCO1)Cn1nccc1-c1cccnc1 ZINC000106856163 631475407 /nfs/dbraw/zinc/47/54/07/631475407.db2.gz KTCUNKIWZSCNMB-QGZVFWFLSA-N 1 0 314.433 3.184 10 0 DGAERO CCC[N@H+](C[C@H](O)c1c(F)cccc1F)C[C@@H]1CCCCO1 ZINC000106866127 631476223 /nfs/dbraw/zinc/47/62/23/631476223.db2.gz SFKOFICGHBOWAB-BBRMVZONSA-N 1 0 313.388 3.279 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000721873273 658314967 /nfs/dbraw/zinc/31/49/67/658314967.db2.gz MGOQQGSVVGEMDD-SNVBAGLBSA-N 1 0 304.253 3.103 10 0 DGAERO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)CC(C)C)c1O ZINC000185341474 660215547 /nfs/dbraw/zinc/21/55/47/660215547.db2.gz WFAPWTVOBRWJJF-CQSZACIVSA-N 1 0 313.825 3.087 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000185371063 660219652 /nfs/dbraw/zinc/21/96/52/660219652.db2.gz NDLLNAAZDOTUNY-QGZVFWFLSA-N 1 0 306.450 3.087 10 0 DGAERO O=C(C[N@@H+]1CCC2(CCCC2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000173820944 659401992 /nfs/dbraw/zinc/40/19/92/659401992.db2.gz SYFFYNLUCAKFID-ZDUSSCGKSA-N 1 0 318.383 3.053 10 0 DGAERO CCCC[N@H+](C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000091708849 660458681 /nfs/dbraw/zinc/45/86/81/660458681.db2.gz OGWTTXGEFPRFRG-UHFFFAOYSA-N 1 0 319.493 3.403 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)c2sc3ccccc3c2Cl)C[NH2+]1 ZINC000700335311 660621685 /nfs/dbraw/zinc/62/16/85/660621685.db2.gz OQIBUUJUJICZAE-NXEZZACHSA-N 1 0 308.834 3.425 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000700784548 660634832 /nfs/dbraw/zinc/63/48/32/660634832.db2.gz RDPBCBHTKPXMJA-HIFRSBDPSA-N 1 0 323.412 3.004 10 0 DGAERO CCOC1CCC([NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000701122035 660656567 /nfs/dbraw/zinc/65/65/67/660656567.db2.gz HDRYNUVVNNCFSF-ZUJMUWTESA-N 1 0 314.470 3.225 10 0 DGAERO O=C(/C=C/c1ccc(Cl)s1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000701171264 660659391 /nfs/dbraw/zinc/65/93/91/660659391.db2.gz CTAYHHGSJSZTMT-FVOPLDGLSA-N 1 0 310.850 3.206 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000701934099 660691940 /nfs/dbraw/zinc/69/19/40/660691940.db2.gz FSYKGLIABUQLEL-CYBMUJFWSA-N 1 0 318.408 3.268 10 0 DGAERO Cc1ccoc1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701925045 660695519 /nfs/dbraw/zinc/69/55/19/660695519.db2.gz ROHXMNMLTPWEBF-UHFFFAOYSA-N 1 0 306.406 3.077 10 0 DGAERO CCSCCC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701921299 660695539 /nfs/dbraw/zinc/69/55/39/660695539.db2.gz VVVFIWQRUZJSTQ-UHFFFAOYSA-N 1 0 314.495 3.119 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)CN1C(=O)OC(C)(C)C ZINC000701953789 660693448 /nfs/dbraw/zinc/69/34/48/660693448.db2.gz ZGTPLPBZZASBFD-AGIUHOORSA-N 1 0 318.408 3.409 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000701992216 660696409 /nfs/dbraw/zinc/69/64/09/660696409.db2.gz GQLVBRXEYJWWCG-XDQVBPFNSA-N 1 0 314.495 3.306 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000701995699 660696506 /nfs/dbraw/zinc/69/65/06/660696506.db2.gz YTLAGEUXEKIWQI-YIYPIFLZSA-N 1 0 314.495 3.163 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000702506934 660725839 /nfs/dbraw/zinc/72/58/39/660725839.db2.gz RXFVTDHOTVQUJS-CYBMUJFWSA-N 1 0 300.418 3.258 10 0 DGAERO CCc1nnc(C[NH2+][C@@H](C)CCOCc2ccccc2)s1 ZINC000702675947 660734975 /nfs/dbraw/zinc/73/49/75/660734975.db2.gz GJZNCNDTPXGYCU-ZDUSSCGKSA-N 1 0 305.447 3.186 10 0 DGAERO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000702902686 660747091 /nfs/dbraw/zinc/74/70/91/660747091.db2.gz CWTAUWMFTUDYOA-XYJFISCASA-N 1 0 303.446 3.387 10 0 DGAERO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000704059373 660801559 /nfs/dbraw/zinc/80/15/59/660801559.db2.gz NHIRFZWKKJMDLW-NPJQDHAYSA-N 1 0 308.466 3.410 10 0 DGAERO COC1CC(C[N@H+](C)Cc2csc(Br)c2)C1 ZINC000704321959 660807744 /nfs/dbraw/zinc/80/77/44/660807744.db2.gz JJZQJHRZXIRIGQ-UHFFFAOYSA-N 1 0 304.253 3.367 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]Cc2cnccc2C)CCN1C(=O)OC(C)(C)C ZINC000704618316 660813398 /nfs/dbraw/zinc/81/33/98/660813398.db2.gz VQZUTLSOMDLNLW-JKSUJKDBSA-N 1 0 319.449 3.268 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@H](C)C(C)(C)OC)CCN1C(=O)OC(C)(C)C ZINC000704646035 660813931 /nfs/dbraw/zinc/81/39/31/660813931.db2.gz RJLCKTJOWSPKFB-HZSPNIEDSA-N 1 0 314.470 3.178 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@@H]2CSC[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000704625682 660813985 /nfs/dbraw/zinc/81/39/85/660813985.db2.gz ZCBSZIVJLVFYDE-IGQOVBAYSA-N 1 0 314.495 3.116 10 0 DGAERO Oc1ccc(Br)c(C[NH2+]CC[C@H]2CCSC2)c1 ZINC000704865859 660823086 /nfs/dbraw/zinc/82/30/86/660823086.db2.gz HZIPPGSPYQSGHE-JTQLQIEISA-N 1 0 316.264 3.388 10 0 DGAERO CC(C)C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705930605 660839912 /nfs/dbraw/zinc/83/99/12/660839912.db2.gz AZZVEBPRJYLWIS-RTBURBONSA-N 1 0 300.446 3.013 10 0 DGAERO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)ccn1 ZINC000705947627 660840171 /nfs/dbraw/zinc/84/01/71/660840171.db2.gz WDPYHMWGTCDBFI-WKILWMFISA-N 1 0 319.449 3.316 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@H]1CCCC13CC3)C2 ZINC000706530433 660864765 /nfs/dbraw/zinc/86/47/65/660864765.db2.gz RBMPAKVQBUBUNS-FVRSWCFKSA-N 1 0 306.450 3.308 10 0 DGAERO Cc1conc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000708293409 660919834 /nfs/dbraw/zinc/91/98/34/660919834.db2.gz STZRDGOLMAHYQY-KBPBESRZSA-N 1 0 323.437 3.108 10 0 DGAERO CSC1CC([NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000708289417 660919900 /nfs/dbraw/zinc/91/99/00/660919900.db2.gz QTOCDEPSZXXXAN-IWMBGFJWSA-N 1 0 314.495 3.116 10 0 DGAERO CSC1CC([NH2+]Cc2cccc(O)c2Br)C1 ZINC000708282448 660919917 /nfs/dbraw/zinc/91/99/17/660919917.db2.gz LAPCENPSAPVPNR-UHFFFAOYSA-N 1 0 302.237 3.138 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000709405420 660928144 /nfs/dbraw/zinc/92/81/44/660928144.db2.gz LBRHPJZUNIPCON-GEONZQJFSA-N 1 0 308.466 3.409 10 0 DGAERO C[N@@H+](Cc1cscc1Br)C[C@H]1CCC[C@@H](O)C1 ZINC000709789144 660930616 /nfs/dbraw/zinc/93/06/16/660930616.db2.gz HTMOCBMGCJKXOA-CMPLNLGQSA-N 1 0 318.280 3.494 10 0 DGAERO C[NH+](C)C1(C)CCN(Cc2ccccc2Br)CC1 ZINC000709892645 660931124 /nfs/dbraw/zinc/93/11/24/660931124.db2.gz KWRKYWMYKTZXPX-UHFFFAOYSA-N 1 0 311.267 3.365 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000710926157 660938911 /nfs/dbraw/zinc/93/89/11/660938911.db2.gz OXTDOJHHENNPTO-UHFFFAOYSA-N 1 0 318.461 3.421 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]Cc2cccc(F)c2)C1 ZINC000711454089 660954081 /nfs/dbraw/zinc/95/40/81/660954081.db2.gz AEJYXVUKTJNFGU-UHFFFAOYSA-N 1 0 308.397 3.219 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCCC23CC3)C1 ZINC000711405226 660950480 /nfs/dbraw/zinc/95/04/80/660950480.db2.gz FDCCSQCIACDZTG-KFWWJZLASA-N 1 0 308.466 3.460 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000187101063 660951505 /nfs/dbraw/zinc/95/15/05/660951505.db2.gz VZLOEAYSFQANPZ-ABAIWWIYSA-N 1 0 306.793 3.128 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nc1C ZINC000711417923 660951551 /nfs/dbraw/zinc/95/15/51/660951551.db2.gz DIHORAYDELPOBM-FZNQNYSPSA-N 1 0 319.449 3.091 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000711437901 660952338 /nfs/dbraw/zinc/95/23/38/660952338.db2.gz AYBZZFMXOWOKEZ-SUJAAXHWSA-N 1 0 308.466 3.316 10 0 DGAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000711448483 660953350 /nfs/dbraw/zinc/95/33/50/660953350.db2.gz RNSDTQYOKONQTA-OPFPJEHXSA-N 1 0 305.422 3.036 10 0 DGAERO CCC(C)(C)OCC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711443589 660953396 /nfs/dbraw/zinc/95/33/96/660953396.db2.gz VTYGCAFWEILYFA-UHFFFAOYSA-N 1 0 314.470 3.085 10 0 DGAERO CSCCCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711459667 660954016 /nfs/dbraw/zinc/95/40/16/660954016.db2.gz NLOXTDVNHAXQMG-BETUJISGSA-N 1 0 302.484 3.023 10 0 DGAERO CC[C@@](C)(O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000087011587 660964195 /nfs/dbraw/zinc/96/41/95/660964195.db2.gz AMHOMFXLWMBBMP-GXTWGEPZSA-N 1 0 314.223 3.023 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)o1 ZINC000711485060 660954988 /nfs/dbraw/zinc/95/49/88/660954988.db2.gz VZDDZHAJNMLUGX-NSHDSACASA-N 1 0 300.196 3.233 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000711486805 660955140 /nfs/dbraw/zinc/95/51/40/660955140.db2.gz XXJOHVDXXJQQME-BEBHXBEKSA-N 1 0 308.466 3.316 10 0 DGAERO C[C@@H](C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000711492812 660955474 /nfs/dbraw/zinc/95/54/74/660955474.db2.gz UIBTZSIXJTVZDZ-NFOMZHRRSA-N 1 0 319.449 3.078 10 0 DGAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cccc(O)c1 ZINC000711502562 660955541 /nfs/dbraw/zinc/95/55/41/660955541.db2.gz BKRXFRQWWJBOMT-OPFPJEHXSA-N 1 0 320.433 3.346 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cncs3)CCC[C@H]12 ZINC000711630444 660959908 /nfs/dbraw/zinc/95/99/08/660959908.db2.gz QLNRTVLDYDKKJA-XJKSGUPXSA-N 1 0 323.462 3.165 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3nccs3)CCC[C@H]12 ZINC000711631880 660959978 /nfs/dbraw/zinc/95/99/78/660959978.db2.gz UQVZBVAAVCJHCT-BLLLJJGKSA-N 1 0 323.462 3.165 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000120214284 655537101 /nfs/dbraw/zinc/53/71/01/655537101.db2.gz STZAZQOXVJEPRV-SECBINFHSA-N 1 0 306.237 3.028 10 0 DGAERO COCCCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000044657936 655622091 /nfs/dbraw/zinc/62/20/91/655622091.db2.gz ISYLVAGMJRXFKZ-ZDUSSCGKSA-N 1 0 314.223 3.289 10 0 DGAERO C[C@@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc(Cl)cc1Cl ZINC000721022499 655626047 /nfs/dbraw/zinc/62/60/47/655626047.db2.gz OIYKUPMJJTWVCN-XFOOOJQKSA-N 1 0 313.228 3.026 10 0 DGAERO C[C@H]1CC[C@@H]([NH2+]Cc2ncc(Br)s2)CS1 ZINC000713638876 655641869 /nfs/dbraw/zinc/64/18/69/655641869.db2.gz VFDPMYFGQCGQCL-JGVFFNPUSA-N 1 0 307.282 3.279 10 0 DGAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089390827 655671958 /nfs/dbraw/zinc/67/19/58/655671958.db2.gz HLDDWELVUICEHX-VXGBXAGGSA-N 1 0 312.816 3.203 10 0 DGAERO C[C@](O)(C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccsc1 ZINC000175998500 655691364 /nfs/dbraw/zinc/69/13/64/655691364.db2.gz PPMQGYZMPXUEAP-KRWDZBQOSA-N 1 0 313.426 3.136 10 0 DGAERO C/C(=C/C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000255311588 655697451 /nfs/dbraw/zinc/69/74/51/655697451.db2.gz RLRYQDXZNSSOIM-IVOILVROSA-N 1 0 304.821 3.050 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000176079727 655732127 /nfs/dbraw/zinc/73/21/27/655732127.db2.gz CUIDHHZWVJSLIM-GOSISDBHSA-N 1 0 321.428 3.177 10 0 DGAERO C[C@H](Cc1ccsc1)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724058296 655739653 /nfs/dbraw/zinc/73/96/53/655739653.db2.gz MKCYWGZKHNPGMJ-PSASIEDQSA-N 1 0 317.323 3.217 10 0 DGAERO CSCC1CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724078088 655740203 /nfs/dbraw/zinc/74/02/03/655740203.db2.gz KFKVWPRDNBROBZ-JTQLQIEISA-N 1 0 321.355 3.010 10 0 DGAERO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccsc1 ZINC000724105351 655741983 /nfs/dbraw/zinc/74/19/83/655741983.db2.gz AVGFZBIDQSBHHQ-VXNVDRBHSA-N 1 0 303.296 3.347 10 0 DGAERO CSC[C@@H]1CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724117402 655744126 /nfs/dbraw/zinc/74/41/26/655744126.db2.gz KVPZAETYMRIDGX-ZJUUUORDSA-N 1 0 321.355 3.010 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000176221411 655745000 /nfs/dbraw/zinc/74/50/00/655745000.db2.gz AYUBIRYKOOGZDJ-NTCAYCPXSA-N 1 0 318.436 3.466 10 0 DGAERO CSCCCC[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000235029068 655774176 /nfs/dbraw/zinc/77/41/76/655774176.db2.gz UCUMZOMKLRDGCO-ZDUSSCGKSA-N 1 0 302.484 3.119 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C(/C)c1ccccc1OC ZINC000255515701 655783911 /nfs/dbraw/zinc/78/39/11/655783911.db2.gz HQZJPYWZHUCQJJ-UGEDRFTOSA-N 1 0 316.445 3.041 10 0 DGAERO CCOCCCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000121826329 655785966 /nfs/dbraw/zinc/78/59/66/655785966.db2.gz ZQSLKNHYJLEELR-UHFFFAOYSA-N 1 0 319.445 3.259 10 0 DGAERO O=C(Oc1ccc(OCC[NH+]2CCCCC2)cc1)C1CCC1 ZINC000121838002 655789284 /nfs/dbraw/zinc/78/92/84/655789284.db2.gz LUEWDYVWCZTQDH-UHFFFAOYSA-N 1 0 303.402 3.257 10 0 DGAERO C[C@@H]1CCC[C@H](C[NH2+]Cc2cn(C)nc2Br)C1 ZINC000712477026 661188673 /nfs/dbraw/zinc/18/86/73/661188673.db2.gz PWJIWGMVRGPSNB-MNOVXSKESA-N 1 0 300.244 3.099 10 0 DGAERO Cn1cc(C[NH2+]C2CCCCCCC2)c(Br)n1 ZINC000712477134 661189022 /nfs/dbraw/zinc/18/90/22/661189022.db2.gz RWULAIDYLJZTJO-UHFFFAOYSA-N 1 0 300.244 3.385 10 0 DGAERO C[C@H]([NH2+]Cc1cn(C)nc1Br)[C@@]12C[C@@H]1CCCC2 ZINC000712491114 661189039 /nfs/dbraw/zinc/18/90/39/661189039.db2.gz LVYROEJMDQQWRX-VHRBIJSZSA-N 1 0 312.255 3.241 10 0 DGAERO CCN1CC[C@H]1C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000712574847 661189598 /nfs/dbraw/zinc/18/95/98/661189598.db2.gz XIPYYCGYTPETNQ-KOLCDFICSA-N 1 0 303.269 3.255 10 0 DGAERO CC(C)C[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000156646031 655814137 /nfs/dbraw/zinc/81/41/37/655814137.db2.gz GKIWHESDCWRVIN-NSHDSACASA-N 1 0 304.203 3.085 10 0 DGAERO C[C@@H]([NH2+]CCc1sccc1Br)[C@H]1CCCO1 ZINC000713082882 661190169 /nfs/dbraw/zinc/19/01/69/661190169.db2.gz WAJIYLZFSSUHTF-MWLCHTKSSA-N 1 0 304.253 3.210 10 0 DGAERO C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000255577281 655823059 /nfs/dbraw/zinc/82/30/59/655823059.db2.gz FWJOVUGIVKSBFO-QBFSEMIESA-N 1 0 306.837 3.296 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)/C=C/c1cccs1)c1ccccc1 ZINC000052555943 655825101 /nfs/dbraw/zinc/82/51/01/655825101.db2.gz PNGNXESWNRMTRN-SIFUEBAJSA-N 1 0 300.427 3.180 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]Cc2ncc(Br)s2)CS1 ZINC000713638879 661192946 /nfs/dbraw/zinc/19/29/46/661192946.db2.gz VFDPMYFGQCGQCL-SFYZADRCSA-N 1 0 307.282 3.279 10 0 DGAERO CCc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000052966172 655848627 /nfs/dbraw/zinc/84/86/27/655848627.db2.gz DQXWXPZTJSQEIV-OAHLLOKOSA-N 1 0 302.443 3.343 10 0 DGAERO Cn1cc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c(Br)n1 ZINC000713860505 661194853 /nfs/dbraw/zinc/19/48/53/661194853.db2.gz PTCCZLLGSJCTGD-NSHDSACASA-N 1 0 300.244 3.051 10 0 DGAERO CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2Br)CC1 ZINC000713858168 661195164 /nfs/dbraw/zinc/19/51/64/661195164.db2.gz DTHMMFRZSJMGKI-LLVKDONJSA-N 1 0 300.244 3.195 10 0 DGAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cn(C)nc2Br)C1 ZINC000713859881 661195199 /nfs/dbraw/zinc/19/51/99/661195199.db2.gz PGMNHNVBNNKIPF-OUAUKWLOSA-N 1 0 300.244 3.049 10 0 DGAERO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cn(C)nc1Br ZINC000713860513 661195233 /nfs/dbraw/zinc/19/52/33/661195233.db2.gz QDEAXOPLKKGDJM-CMPLNLGQSA-N 1 0 300.244 3.193 10 0 DGAERO CSCc1ccc(C[NH2+]C[C@H](C)CC2(C)OCCO2)cc1 ZINC000725123531 655861263 /nfs/dbraw/zinc/86/12/63/655861263.db2.gz OAVCBKYOIMDDMH-CQSZACIVSA-N 1 0 309.475 3.428 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714361605 661198654 /nfs/dbraw/zinc/19/86/54/661198654.db2.gz SIPCBGQWKWVTSV-RRFJBIMHSA-N 1 0 301.496 3.148 10 0 DGAERO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000714335105 661198775 /nfs/dbraw/zinc/19/87/75/661198775.db2.gz PFVFPGPXLBWBRV-NSHDSACASA-N 1 0 322.257 3.050 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000714448458 661200931 /nfs/dbraw/zinc/20/09/31/661200931.db2.gz LUVLSECYDWGVPO-WVSHTKLVSA-N 1 0 302.187 3.103 10 0 DGAERO C#CC[N@H+](CCOCCOc1ccccc1)C1CCCCC1 ZINC000065960176 655922031 /nfs/dbraw/zinc/92/20/31/655922031.db2.gz PHAWJKRCCPDQLL-UHFFFAOYSA-N 1 0 301.430 3.350 10 0 DGAERO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccccc1-n1cccn1 ZINC000177339395 655922046 /nfs/dbraw/zinc/92/20/46/655922046.db2.gz FONPODMKNRMNEO-UZLBHIALSA-N 1 0 321.424 3.431 10 0 DGAERO c1nn(-c2ccccc2)nc1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065967514 655922119 /nfs/dbraw/zinc/92/21/19/655922119.db2.gz CQJQRZIKQMKDMW-JOUKPKRSSA-N 1 0 308.429 3.278 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C(\C)c1cccc(OC)c1 ZINC000177532057 655930803 /nfs/dbraw/zinc/93/08/03/655930803.db2.gz PUAZNKPMYGBDPO-VMEIHUARSA-N 1 0 316.445 3.041 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)cc1Br ZINC000719642636 655948907 /nfs/dbraw/zinc/94/89/07/655948907.db2.gz CQYSSQVXBUWVKD-PRHODGIISA-N 1 0 303.269 3.001 10 0 DGAERO CCCCCCOCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180194487 655958866 /nfs/dbraw/zinc/95/88/66/655958866.db2.gz OMXHMBQWEKWMFZ-PKOBYXMFSA-N 1 0 318.461 3.145 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000309369295 655958902 /nfs/dbraw/zinc/95/89/02/655958902.db2.gz PCCLPDCWRSLFTF-WDEREUQCSA-N 1 0 304.253 3.210 10 0 DGAERO C[C@H](C[NH2+]C[C@]1(C)CCCS1)N(C)C(=O)OC(C)(C)C ZINC000327719687 655980403 /nfs/dbraw/zinc/98/04/03/655980403.db2.gz DPRMZBNDYBXFLZ-DOMZBBRYSA-N 1 0 302.484 3.117 10 0 DGAERO Cc1nc(C)c(CNCc2ccc(Br)cc2F)o1 ZINC000311740886 656012521 /nfs/dbraw/zinc/01/25/21/656012521.db2.gz GLJRMIAPGPPGPN-UHFFFAOYSA-N 1 0 313.170 3.483 10 0 DGAERO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cscc1Br ZINC000309570749 656025689 /nfs/dbraw/zinc/02/56/89/656025689.db2.gz NOTZKIRKFREPDD-VHSXEESVSA-N 1 0 304.253 3.415 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccnc2ccccc12)CC1(C)OCCO1 ZINC000715922230 661216019 /nfs/dbraw/zinc/21/60/19/661216019.db2.gz PXBYRBRMRNBFQO-CQSZACIVSA-N 1 0 300.402 3.114 10 0 DGAERO CC(C)[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000716143818 661218812 /nfs/dbraw/zinc/21/88/12/661218812.db2.gz WHEXADUWFLZGCP-YMAMQOFZSA-N 1 0 315.866 3.202 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000177068999 656074631 /nfs/dbraw/zinc/07/46/31/656074631.db2.gz XWVVDJCNIPBSPI-HASJVIIQSA-N 1 0 312.866 3.260 10 0 DGAERO COC1(OC)CC[C@H]1[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000716320234 661221625 /nfs/dbraw/zinc/22/16/25/661221625.db2.gz XTQCNUJRVDKSKH-CYBMUJFWSA-N 1 0 304.217 3.277 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]CC1CCSCC1 ZINC000309897662 656098405 /nfs/dbraw/zinc/09/84/05/656098405.db2.gz OCVYNUOXPFUHJP-VXGBXAGGSA-N 1 0 302.484 3.021 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]CC1CCSCC1 ZINC000309897659 656098429 /nfs/dbraw/zinc/09/84/29/656098429.db2.gz OCVYNUOXPFUHJP-RYUDHWBXSA-N 1 0 302.484 3.021 10 0 DGAERO Cc1cc(C[NH2+]Cc2ccc(C)c(Br)c2C)[nH]n1 ZINC000716470973 661224180 /nfs/dbraw/zinc/22/41/80/661224180.db2.gz RHCQKPKWPGUBDZ-UHFFFAOYSA-N 1 0 308.223 3.387 10 0 DGAERO O=S1(=O)CCC([NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000037269839 661224435 /nfs/dbraw/zinc/22/44/35/661224435.db2.gz AEPPZKWEFJYPPX-UHFFFAOYSA-N 1 0 321.467 3.082 10 0 DGAERO Brc1ccoc1C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716597811 661224609 /nfs/dbraw/zinc/22/46/09/661224609.db2.gz UYTIWJFHTHDMKR-LLVKDONJSA-N 1 0 314.223 3.481 10 0 DGAERO CSC[C@@H](C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183201558 656111145 /nfs/dbraw/zinc/11/11/45/656111145.db2.gz QVDWBYCHMLZVMI-GDBMZVCRSA-N 1 0 307.459 3.193 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716620433 661225167 /nfs/dbraw/zinc/22/51/67/661225167.db2.gz BBAQGURIIJPHTJ-VDERGJSUSA-N 1 0 308.466 3.268 10 0 DGAERO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189139723 656152496 /nfs/dbraw/zinc/15/24/96/656152496.db2.gz RMAFOWRWAJJAIK-RBUKOAKNSA-N 1 0 303.446 3.228 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(F)cc1Br ZINC000716885680 661230152 /nfs/dbraw/zinc/23/01/52/661230152.db2.gz NXKUBDLSOYIHFB-SKDRFNHKSA-N 1 0 304.203 3.227 10 0 DGAERO COc1ccc2c(c1)C(=O)N(C[N@H+](C1CC1)C1CCCC1)C2 ZINC000189707224 656156896 /nfs/dbraw/zinc/15/68/96/656156896.db2.gz CGRKWEDIVPFPKO-UHFFFAOYSA-N 1 0 300.402 3.016 10 0 DGAERO CCc1nn(C)c(Cl)c1C[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000190390729 656160698 /nfs/dbraw/zinc/16/06/98/656160698.db2.gz LVBMJYSKZSTWBX-UHFFFAOYSA-N 1 0 321.852 3.291 10 0 DGAERO CC[C@](C)(C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC000319431421 656188634 /nfs/dbraw/zinc/18/86/34/656188634.db2.gz JXRQAIOTYLESGC-JKIFEVAISA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]CC2(C)CC2)C1 ZINC000716994107 661236718 /nfs/dbraw/zinc/23/67/18/661236718.db2.gz AYENTJRJNMQKHY-GFCCVEGCSA-N 1 0 318.408 3.268 10 0 DGAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2(C)OCCCO2)c1 ZINC000190668848 656223944 /nfs/dbraw/zinc/22/39/44/656223944.db2.gz YLTAOGJRHYJSPI-LBPRGKRZSA-N 1 0 315.360 3.400 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000312963517 656247556 /nfs/dbraw/zinc/24/75/56/656247556.db2.gz CSLASQSVGFAFFT-SNVBAGLBSA-N 1 0 304.253 3.068 10 0 DGAERO [NH3+][C@H]1CN(c2nc3ccccc3s2)CC[C@H]1C(F)(F)F ZINC000717088890 661247373 /nfs/dbraw/zinc/24/73/73/661247373.db2.gz FOQWKBKGPMOFCN-BDAKNGLRSA-N 1 0 301.337 3.012 10 0 DGAERO [NH3+][C@H]1CN(Cc2cc(F)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000717157648 661256002 /nfs/dbraw/zinc/25/60/02/661256002.db2.gz YKCHENVYBZOEEB-PWSUYJOCSA-N 1 0 310.722 3.191 10 0 DGAERO CC1(C)CC[C@@H](CNC(=O)c2cscc2C(F)F)[NH2+]C1 ZINC000717222403 661257560 /nfs/dbraw/zinc/25/75/60/661257560.db2.gz WJKACZZNAARWHV-VIFPVBQESA-N 1 0 302.390 3.194 10 0 DGAERO CC1(C)CO[C@@H](C[NH2+]Cc2cccc(O)c2Br)C1 ZINC000717609778 661266259 /nfs/dbraw/zinc/26/62/59/661266259.db2.gz RYNTWTKSSDWUSS-LLVKDONJSA-N 1 0 314.223 3.059 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)C2)cc1 ZINC000723633507 656496812 /nfs/dbraw/zinc/49/68/12/656496812.db2.gz PAXZWKKDXHQEDO-WTGUMLROSA-N 1 0 314.473 3.056 10 0 DGAERO c1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1 ZINC000723650860 656498168 /nfs/dbraw/zinc/49/81/68/656498168.db2.gz LDLXFYMQCZOFMO-VNTMZGSJSA-N 1 0 314.473 3.056 10 0 DGAERO c1cc(C2OCCO2)ccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723650183 656498374 /nfs/dbraw/zinc/49/83/74/656498374.db2.gz KUFLCTGHOANTGI-RCCFBDPRSA-N 1 0 317.429 3.027 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccn1 ZINC000723832603 656501314 /nfs/dbraw/zinc/50/13/14/656501314.db2.gz OEQZSDFNTSHZET-RBSFLKMASA-N 1 0 319.449 3.235 10 0 DGAERO O=C(C[NH2+]C1(C2CC2)CCC1)Nc1ccccc1Br ZINC000717850253 661270416 /nfs/dbraw/zinc/27/04/16/661270416.db2.gz LKJVFBLKLTUWBG-UHFFFAOYSA-N 1 0 323.234 3.310 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1)c1ccc(Cl)c(Cl)c1 ZINC000724599000 656522325 /nfs/dbraw/zinc/52/23/25/656522325.db2.gz JZAMBHQOIIFBST-AVNXNWIJSA-N 1 0 316.228 3.448 10 0 DGAERO CSC[C@H](C)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067002530 656800097 /nfs/dbraw/zinc/80/00/97/656800097.db2.gz NPHWQCVEUZVOOG-HNNXBMFYSA-N 1 0 321.486 3.441 10 0 DGAERO CSC[C@@H](C)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067002533 656801132 /nfs/dbraw/zinc/80/11/32/656801132.db2.gz NPHWQCVEUZVOOG-OAHLLOKOSA-N 1 0 321.486 3.441 10 0 DGAERO Cc1cccc([C@@H](C)C(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000261687279 656968419 /nfs/dbraw/zinc/96/84/19/656968419.db2.gz IBJRDMDITAWSHN-QGZVFWFLSA-N 1 0 310.441 3.129 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000248654325 657032269 /nfs/dbraw/zinc/03/22/69/657032269.db2.gz PLDSPHRGJSDNTO-PSBWJHGTSA-N 1 0 321.461 3.015 10 0 DGAERO C[C@@H](c1ccccc1Cl)N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261889429 657164095 /nfs/dbraw/zinc/16/40/95/657164095.db2.gz SOBBPLLGZPIJCD-MAUKXSAKSA-N 1 0 321.896 3.018 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000721802266 657387337 /nfs/dbraw/zinc/38/73/37/657387337.db2.gz ASTATMVRYDKFTQ-VIFPVBQESA-N 1 0 304.253 3.103 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nc(Cl)ccc1Cl ZINC000094446034 657396857 /nfs/dbraw/zinc/39/68/57/657396857.db2.gz HTLFSEXRIAPFCP-NWDGAFQWSA-N 1 0 314.260 3.447 10 0 DGAERO CCC[NH+]1CCN(c2nc(CC)nc3sc(CC)cc32)CC1 ZINC000096205056 657512862 /nfs/dbraw/zinc/51/28/62/657512862.db2.gz AQMBPGOMYUSXOQ-UHFFFAOYSA-N 1 0 318.490 3.348 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nc(Cl)ccc1Cl ZINC000251679890 657528152 /nfs/dbraw/zinc/52/81/52/657528152.db2.gz HTLFSEXRIAPFCP-RYUDHWBXSA-N 1 0 314.260 3.447 10 0 DGAERO CC[C@]1(CO)CCC[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000251794105 657535768 /nfs/dbraw/zinc/53/57/68/657535768.db2.gz LZFMSYHLCHTMGC-NVXWUHKLSA-N 1 0 322.836 3.070 10 0 DGAERO COCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000304235749 657610900 /nfs/dbraw/zinc/61/09/00/657610900.db2.gz BYYOCCYFXPFIGK-AWEZNQCLSA-N 1 0 322.449 3.178 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000304277520 657617943 /nfs/dbraw/zinc/61/79/43/657617943.db2.gz LPVURULRVLOTDE-KBPBESRZSA-N 1 0 322.449 3.168 10 0 DGAERO CSc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)cc1 ZINC000720408804 657696972 /nfs/dbraw/zinc/69/69/72/657696972.db2.gz DIZIBKFJESJITO-HOTGVXAUSA-N 1 0 308.516 3.078 10 0 DGAERO Brc1ccccc1-c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000054301575 657761728 /nfs/dbraw/zinc/76/17/28/657761728.db2.gz CMNVMTWBWNLNHO-JTQLQIEISA-N 1 0 322.206 3.041 10 0 DGAERO CSC1CCC(C[NH2+]Cc2c(C)nn(C)c2Cl)CC1 ZINC000720540143 657877661 /nfs/dbraw/zinc/87/76/61/657877661.db2.gz KJUAXJOLWLJBTO-UHFFFAOYSA-N 1 0 301.887 3.393 10 0 DGAERO Cn1cc(C[NH2+][C@@H]2CCCC23CCCC3)c(Br)n1 ZINC000720652210 658053460 /nfs/dbraw/zinc/05/34/60/658053460.db2.gz JLHVIHKBJZUTSF-GFCCVEGCSA-N 1 0 312.255 3.385 10 0 DGAERO CC1(C)CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000720774957 658118748 /nfs/dbraw/zinc/11/87/48/658118748.db2.gz OICCDJWNLIDQDK-NSHDSACASA-N 1 0 302.205 3.194 10 0 DGAERO Cc1ccc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000720844697 658148402 /nfs/dbraw/zinc/14/84/02/658148402.db2.gz MORMUTVYPFAJPZ-VXGBXAGGSA-N 1 0 306.759 3.217 10 0 DGAERO Cc1ccc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000720844696 658148802 /nfs/dbraw/zinc/14/88/02/658148802.db2.gz MORMUTVYPFAJPZ-RYUDHWBXSA-N 1 0 306.759 3.217 10 0 DGAERO C[C@H](c1cccc(Cl)c1)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878790 658155097 /nfs/dbraw/zinc/15/50/97/658155097.db2.gz UDGICWMWFZCLTN-SUZMYJTESA-N 1 0 306.759 3.470 10 0 DGAERO C[C@@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)C(=O)NC(C)(C)C ZINC000722135607 658251241 /nfs/dbraw/zinc/25/12/41/658251241.db2.gz MPKWTCDSAGKRHA-SNVBAGLBSA-N 1 0 317.260 3.429 10 0 DGAERO C[C@H](CC[NH2+]CCc1cc(Cl)cc(Cl)c1)[S@](C)=O ZINC000722145549 658277881 /nfs/dbraw/zinc/27/78/81/658277881.db2.gz UKVCPRBOISAWIP-MGNBDDOMSA-N 1 0 308.274 3.283 10 0 DGAERO C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccccn1 ZINC000721877031 658327585 /nfs/dbraw/zinc/32/75/85/658327585.db2.gz XPSLYTXGTPXOPR-ZFWWWQNUSA-N 1 0 319.449 3.378 10 0 DGAERO CCO[C@@H]1CCC[C@H]([NH2+]C/C=C\CNC(=O)OC(C)(C)C)C1 ZINC000721193618 658646031 /nfs/dbraw/zinc/64/60/31/658646031.db2.gz JHUUCTNGIVSUOT-NHQLZKDQSA-N 1 0 312.454 3.005 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2cnc3ccsc3c2)no1 ZINC000163585735 658838281 /nfs/dbraw/zinc/83/82/81/658838281.db2.gz YTEZMTKTPGKHQP-KOLCDFICSA-N 1 0 300.387 3.189 10 0 DGAERO Nc1cc(N)[nH+]c(SCc2cc(Cl)nc3ccccc23)n1 ZINC000156805142 658947554 /nfs/dbraw/zinc/94/75/54/658947554.db2.gz LGMWIDNEOGXVMY-UHFFFAOYSA-N 1 0 317.805 3.135 10 0 DGAERO Cc1c2ccccc2oc1C(=O)NCC1(C[NH+]2CCCC2)CC1 ZINC000223544104 658988248 /nfs/dbraw/zinc/98/82/48/658988248.db2.gz MWJAMIQSWIYLPF-UHFFFAOYSA-N 1 0 312.413 3.347 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCCSC1)c1cccc(C(F)(F)F)c1 ZINC000167462000 659091368 /nfs/dbraw/zinc/09/13/68/659091368.db2.gz VXXLVQHQIXWOOD-STQMWFEESA-N 1 0 305.365 3.224 10 0 DGAERO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)CC1 ZINC000157939207 659128680 /nfs/dbraw/zinc/12/86/80/659128680.db2.gz GEKGNYSHTTVKNQ-OAHLLOKOSA-N 1 0 323.440 3.410 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000227579597 659159422 /nfs/dbraw/zinc/15/94/22/659159422.db2.gz FVUANCGSVKLWLY-ZEPSKSRBSA-N 1 0 320.408 3.458 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1Br ZINC000227825976 659165177 /nfs/dbraw/zinc/16/51/77/659165177.db2.gz QZFHLSRABRWCLU-NEPJUHHUSA-N 1 0 304.253 3.212 10 0 DGAERO Cc1cccnc1C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000229095063 659236588 /nfs/dbraw/zinc/23/65/88/659236588.db2.gz AYMMNCKAJXBMAC-CABCVRRESA-N 1 0 319.449 3.173 10 0 DGAERO Cc1ccc(C[N@@H+](C)Cn2cnc3c2ncnc3NC(C)C)cc1 ZINC000170902245 659245750 /nfs/dbraw/zinc/24/57/50/659245750.db2.gz MRJYXMFOXSDRLP-UHFFFAOYSA-N 1 0 324.432 3.045 10 0 DGAERO C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C ZINC000229809071 659282058 /nfs/dbraw/zinc/28/20/58/659282058.db2.gz VYKKUIZTVAPXDQ-LLVKDONJSA-N 1 0 314.376 3.358 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCOC1 ZINC000230259854 659322390 /nfs/dbraw/zinc/32/23/90/659322390.db2.gz SLFIFPQSLRSKGD-GOEBONIOSA-N 1 0 318.417 3.399 10 0 DGAERO COC1CC([NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000230675169 659345867 /nfs/dbraw/zinc/34/58/67/659345867.db2.gz XGYYECKZMUFSKM-PUSIOWJLSA-N 1 0 302.187 3.416 10 0 DGAERO Cc1ccoc1C[NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000230660495 659345967 /nfs/dbraw/zinc/34/59/67/659345967.db2.gz QRSJWXPXWLEOQQ-CQSZACIVSA-N 1 0 308.422 3.467 10 0 DGAERO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(C(C)(C)C)cc1 ZINC000173380915 659383282 /nfs/dbraw/zinc/38/32/82/659383282.db2.gz WHHKRLGZTFSJTM-AWEZNQCLSA-N 1 0 304.434 3.477 10 0 DGAERO C[C@@H]([NH2+]CC1(O)CCCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000174331760 659428353 /nfs/dbraw/zinc/42/83/53/659428353.db2.gz IUQYPKRZPYOKIX-GFCCVEGCSA-N 1 0 319.380 3.222 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCc1ccsc1 ZINC000232504480 659434630 /nfs/dbraw/zinc/43/46/30/659434630.db2.gz UNJNPUAFHDRITG-AWEZNQCLSA-N 1 0 310.463 3.280 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC3(CCCC3)C2)CC1 ZINC000174520958 659437311 /nfs/dbraw/zinc/43/73/11/659437311.db2.gz NFXSPJFOTDZTRE-UHFFFAOYSA-N 1 0 307.482 3.084 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000174705713 659520582 /nfs/dbraw/zinc/52/05/82/659520582.db2.gz DYGMGAXZIQHWDM-XHDPSFHLSA-N 1 0 319.788 3.453 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000174705690 659520597 /nfs/dbraw/zinc/52/05/97/659520597.db2.gz DYGMGAXZIQHWDM-NHYWBVRUSA-N 1 0 319.788 3.453 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(C(C)(C)C)cc1 ZINC000170832092 659916908 /nfs/dbraw/zinc/91/69/08/659916908.db2.gz TWCFNCCYRHPTAC-YOEHRIQHSA-N 1 0 317.477 3.391 10 0 DGAERO CCCCCCOc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170862117 659942223 /nfs/dbraw/zinc/94/22/23/659942223.db2.gz CGUHHYVRSHWWQL-QGZVFWFLSA-N 1 0 318.461 3.422 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000179932468 659946688 /nfs/dbraw/zinc/94/66/88/659946688.db2.gz CXYSYOMNTKLRFL-HNNXBMFYSA-N 1 0 324.852 3.235 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000238015633 659952906 /nfs/dbraw/zinc/95/29/06/659952906.db2.gz QSZIVGYZDYAOFG-ONGXEEELSA-N 1 0 308.834 3.412 10 0 DGAERO CSCCCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000180577998 659965989 /nfs/dbraw/zinc/96/59/89/659965989.db2.gz GVDGMKULZNOHGH-KGLIPLIRSA-N 1 0 316.511 3.365 10 0 DGAERO CSCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000068994633 659972242 /nfs/dbraw/zinc/97/22/42/659972242.db2.gz UEIZKHGVOQAGKR-LLVKDONJSA-N 1 0 302.237 3.225 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(Cl)n1)c1ccc(-n2ccnn2)cc1 ZINC000182022636 660030567 /nfs/dbraw/zinc/03/05/67/660030567.db2.gz WVDZKZWYJLJLAJ-GFCCVEGCSA-N 1 0 313.792 3.167 10 0 DGAERO C[C@H]([NH2+]Cc1cnc(Cl)s1)c1ccc(-n2ccnn2)cc1 ZINC000182030430 660031272 /nfs/dbraw/zinc/03/12/72/660031272.db2.gz BHOYDGWKYQTNCL-JTQLQIEISA-N 1 0 319.821 3.228 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)/C=C/c1cccs1 ZINC000182088149 660033466 /nfs/dbraw/zinc/03/34/66/660033466.db2.gz DEVISZFNLIEJMB-NKSUMMKUSA-N 1 0 314.454 3.398 10 0 DGAERO CC(C)(C)OCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000182127776 660034731 /nfs/dbraw/zinc/03/47/31/660034731.db2.gz UFZDCXGYVUTSAF-KRWDZBQOSA-N 1 0 319.445 3.257 10 0 DGAERO CC[C@@H]1C[C@@H](C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000183158573 660103008 /nfs/dbraw/zinc/10/30/08/660103008.db2.gz LTBQFZKLACABAQ-RCCFBDPRSA-N 1 0 317.429 3.009 10 0 DGAERO Cc1ncccc1C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183195041 660104028 /nfs/dbraw/zinc/10/40/28/660104028.db2.gz JXNLJWXIMXTEPP-QGZVFWFLSA-N 1 0 310.397 3.211 10 0 DGAERO CC[C@H]1CN(Cc2cccc(F)c2Br)CC[C@@H]1[NH3+] ZINC000157022391 661865546 /nfs/dbraw/zinc/86/55/46/661865546.db2.gz QGKUFONNBNZBHD-GWCFXTLKSA-N 1 0 315.230 3.147 10 0 DGAERO CCCCCCNC(=O)C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157820786 661869125 /nfs/dbraw/zinc/86/91/25/661869125.db2.gz WLWRXVMGFACBBN-CQSZACIVSA-N 1 0 322.497 3.294 10 0 DGAERO COc1ccc2c(c1)C(=O)N(CN(Cc1ccccc1)C1CC1)C2 ZINC000189703375 661988117 /nfs/dbraw/zinc/98/81/17/661988117.db2.gz CWBKUMFVDHSROO-UHFFFAOYSA-N 1 0 322.408 3.273 10 0 DGAERO C([C@@H]1CCCO1)[N@H+](CC1CCC2(CC1)OCCO2)C1CCCC1 ZINC000190251616 662024651 /nfs/dbraw/zinc/02/46/51/662024651.db2.gz MPFUWRBVQUHYTB-SFHVURJKSA-N 1 0 323.477 3.343 10 0 DGAERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccccc1Br ZINC000190656506 662039872 /nfs/dbraw/zinc/03/98/72/662039872.db2.gz NBGILLGBEHWOES-LLVKDONJSA-N 1 0 314.223 3.253 10 0 DGAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000191659305 662076434 /nfs/dbraw/zinc/07/64/34/662076434.db2.gz URWLLAUAHUJHGV-DLBZAZTESA-N 1 0 311.853 3.246 10 0 DGAERO C[C@]1(c2nc(Cc3ccc(Br)cc3)no2)CCC[NH2+]1 ZINC000079484948 662111461 /nfs/dbraw/zinc/11/14/61/662111461.db2.gz ITBITUCLRFDVAD-CQSZACIVSA-N 1 0 322.206 3.022 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CSCCS1 ZINC000193633029 662142459 /nfs/dbraw/zinc/14/24/59/662142459.db2.gz RMUIEOZLCFDTKM-OAHLLOKOSA-N 1 0 322.499 3.070 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C[C@@H]2CCC=CO2)C2CC2)c1 ZINC000193691960 662145729 /nfs/dbraw/zinc/14/57/29/662145729.db2.gz XGODTMPPCDFHDP-KRWDZBQOSA-N 1 0 303.402 3.361 10 0 DGAERO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717934518 662207058 /nfs/dbraw/zinc/20/70/58/662207058.db2.gz FCNMNHHZXAEJSZ-DTWKUNHWSA-N 1 0 308.369 3.284 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(C(F)(F)F)s1 ZINC000717985005 662213261 /nfs/dbraw/zinc/21/32/61/662213261.db2.gz VILKMGHFFALDRO-LDYMZIIASA-N 1 0 311.394 3.286 10 0 DGAERO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(C(F)(F)F)s2)n1 ZINC000717966169 662213465 /nfs/dbraw/zinc/21/34/65/662213465.db2.gz BZTUUYQYNJKKIM-ZETCQYMHSA-N 1 0 304.341 3.087 10 0 DGAERO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717960927 662213501 /nfs/dbraw/zinc/21/35/01/662213501.db2.gz GGCFXCHLDJXFHS-QMMMGPOBSA-N 1 0 310.341 3.116 10 0 DGAERO CO[C@@](C)(C[NH2+]Cc1cc(C)co1)COCc1ccccc1 ZINC000718091140 662221841 /nfs/dbraw/zinc/22/18/41/662221841.db2.gz BFDGPPMTVLEXJJ-SFHVURJKSA-N 1 0 303.402 3.300 10 0 DGAERO CN(Cc1ccccc1)[C@H](C[NH2+]C1CCC(C)(O)CC1)C1CC1 ZINC000718081308 662222073 /nfs/dbraw/zinc/22/20/73/662222073.db2.gz ZGLCRDTVSOHZLS-IOJLRTSASA-N 1 0 316.489 3.180 10 0 DGAERO Cc1coc(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000718135812 662231688 /nfs/dbraw/zinc/23/16/88/662231688.db2.gz QULKXWMUYKOQSX-UHFFFAOYSA-N 1 0 308.422 3.373 10 0 DGAERO Cc1cc(C)cc([C@H](O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000245418752 662232794 /nfs/dbraw/zinc/23/27/94/662232794.db2.gz ANLKOCUUNRHHGL-HSALFYBXSA-N 1 0 316.489 3.284 10 0 DGAERO CCCCC[C@H](C)NC(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245481101 662233864 /nfs/dbraw/zinc/23/38/64/662233864.db2.gz CAWWZKZEHVNHRA-KSZLIROESA-N 1 0 323.525 3.019 10 0 DGAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089390830 662242884 /nfs/dbraw/zinc/24/28/84/662242884.db2.gz HLDDWELVUICEHX-NEPJUHHUSA-N 1 0 312.816 3.203 10 0 DGAERO FC(F)(F)c1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)cs1 ZINC000718187606 662249442 /nfs/dbraw/zinc/24/94/42/662249442.db2.gz XQUPLHTXVFBFQP-ZETCQYMHSA-N 1 0 303.309 3.284 10 0 DGAERO CCC[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C[C@H]1CCCCO1 ZINC000246398062 662257943 /nfs/dbraw/zinc/25/79/43/662257943.db2.gz XHPOTLDYLOBRQK-RHSMWYFYSA-N 1 0 313.388 3.279 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1)c1ccccc1 ZINC000246459480 662260204 /nfs/dbraw/zinc/26/02/04/662260204.db2.gz LZUXUKFVTPMMJV-WOJBJXKFSA-N 1 0 311.425 3.142 10 0 DGAERO COCC(C)(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000718710785 662260259 /nfs/dbraw/zinc/26/02/59/662260259.db2.gz UNJCJDOGLDQHRN-WMZOPIPTSA-N 1 0 304.478 3.302 10 0 DGAERO COCC(C)(C)CC[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000718709889 662260348 /nfs/dbraw/zinc/26/03/48/662260348.db2.gz RVZOUHLWTZFEKQ-AEFFLSMTSA-N 1 0 304.478 3.302 10 0 DGAERO CO[C@H]1CCC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000718738565 662260932 /nfs/dbraw/zinc/26/09/32/662260932.db2.gz ZBNQMJCQKBERJB-GJZGRUSLSA-N 1 0 314.470 3.181 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(Cl)s1 ZINC000090467031 662264552 /nfs/dbraw/zinc/26/45/52/662264552.db2.gz XAOQFUCXQIBGTM-VHSXEESVSA-N 1 0 307.868 3.019 10 0 DGAERO CCC[C@H](CCO)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719224553 662271635 /nfs/dbraw/zinc/27/16/35/662271635.db2.gz UREGLGSSSCSWBF-SNVBAGLBSA-N 1 0 321.284 3.102 10 0 DGAERO Cc1nc(C[NH2+]C[C@H]2CCC[C@H](C)O2)sc1Br ZINC000719259587 662272303 /nfs/dbraw/zinc/27/23/03/662272303.db2.gz TZNGPLOIURXXDJ-WCBMZHEXSA-N 1 0 319.268 3.261 10 0 DGAERO Cc1nc(C[NH2+]C[C@@]2(C)CC2(F)F)sc1Br ZINC000719257350 662272308 /nfs/dbraw/zinc/27/23/08/662272308.db2.gz AYZQTKMJDRQCLA-SECBINFHSA-N 1 0 311.195 3.349 10 0 DGAERO Cc1nc(C[NH2+]CCc2cscn2)sc1Br ZINC000719286600 662272753 /nfs/dbraw/zinc/27/27/53/662272753.db2.gz GTFBGVWNPUBNNY-UHFFFAOYSA-N 1 0 318.265 3.003 10 0 DGAERO CC[C@H](CSC)[NH2+]Cc1nc(C)c(Br)s1 ZINC000719326882 662274137 /nfs/dbraw/zinc/27/41/37/662274137.db2.gz JRIUJVHMAHAENY-MRVPVSSYSA-N 1 0 309.298 3.445 10 0 DGAERO Cc1ccc(C[NH2+]Cc2ccnn2C)c(C)c1Br ZINC000719543758 662291603 /nfs/dbraw/zinc/29/16/03/662291603.db2.gz FZCDDRRXHWVUDF-UHFFFAOYSA-N 1 0 308.223 3.089 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)sc1C ZINC000719560624 662292571 /nfs/dbraw/zinc/29/25/71/662292571.db2.gz BOQROOPVTUZANO-CYBMUJFWSA-N 1 0 312.504 3.294 10 0 DGAERO Cc1ccc(C[NH2+]C2CCN(C)CC2)c(C)c1Br ZINC000719561026 662292630 /nfs/dbraw/zinc/29/26/30/662292630.db2.gz FSCZPYCEUBHOCG-UHFFFAOYSA-N 1 0 311.267 3.250 10 0 DGAERO C[C@H]1[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)CCN1C ZINC000719649525 662295525 /nfs/dbraw/zinc/29/55/25/662295525.db2.gz UKAJAZFIEVBRLN-OIBJUYFYSA-N 1 0 323.687 3.346 10 0 DGAERO C[C@H]([NH2+]CC1CCCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091288684 662299727 /nfs/dbraw/zinc/29/97/27/662299727.db2.gz CLRSKBCYBSNXJR-AWEZNQCLSA-N 1 0 324.490 3.345 10 0 DGAERO COCc1cc([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)ccc1OC ZINC000247180643 662302534 /nfs/dbraw/zinc/30/25/34/662302534.db2.gz VEFLGJUYUXFAAR-HZPDHXFCSA-N 1 0 320.477 3.367 10 0 DGAERO C[C@H]1C[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCS1 ZINC000247273634 662305321 /nfs/dbraw/zinc/30/53/21/662305321.db2.gz YFHOAQHJHCBWLA-SMDDNHRTSA-N 1 0 310.850 3.270 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000720162980 662305768 /nfs/dbraw/zinc/30/57/68/662305768.db2.gz CGESSHTUVAQAEU-VHSXEESVSA-N 1 0 301.228 3.308 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000720161882 662305817 /nfs/dbraw/zinc/30/58/17/662305817.db2.gz ZDRYXRWWNBWBCC-VHSXEESVSA-N 1 0 301.228 3.308 10 0 DGAERO FC(F)(F)C(F)(F)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000720244960 662306441 /nfs/dbraw/zinc/30/64/41/662306441.db2.gz QCLPUFZMZHKZHZ-CBLAIPOGSA-N 1 0 305.312 3.174 10 0 DGAERO C[C@H](Cc1ccsc1)[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720246084 662306506 /nfs/dbraw/zinc/30/65/06/662306506.db2.gz ZDMSUSWNWLXNFM-MRVPVSSYSA-N 1 0 303.296 3.440 10 0 DGAERO Cc1cc(C)cc([C@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247482150 662322149 /nfs/dbraw/zinc/32/21/49/662322149.db2.gz KEOFDYLLZCBISA-AZUAARDMSA-N 1 0 316.489 3.145 10 0 DGAERO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000247976698 662331797 /nfs/dbraw/zinc/33/17/97/662331797.db2.gz GPYQAYLWMGULTP-WBVHZDCISA-N 1 0 314.454 3.486 10 0 DGAERO C[C@@H]1CC[C@@H](C(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000248170081 662336045 /nfs/dbraw/zinc/33/60/45/662336045.db2.gz JBOZZIFXXPNLPL-NJAFHUGGSA-N 1 0 317.429 3.009 10 0 DGAERO Cc1cnccc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721848505 685276202 /nfs/dbraw/zinc/27/62/02/685276202.db2.gz NEYARDPZUUMHQS-HNNXBMFYSA-N 1 0 319.449 3.125 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(Cl)nc1)c1ccccc1 ZINC000145647325 685086992 /nfs/dbraw/zinc/08/69/92/685086992.db2.gz FCVJQLQZHWDEKA-CQSZACIVSA-N 1 0 318.808 3.159 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379654777 685149023 /nfs/dbraw/zinc/14/90/23/685149023.db2.gz JPIKEASACYKFMY-WZGPROSRSA-N 1 0 302.462 3.197 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CCO1 ZINC000379627908 685149376 /nfs/dbraw/zinc/14/93/76/685149376.db2.gz NBOJPAKEADLIFO-NEWSRXKRSA-N 1 0 302.462 3.198 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379654778 685149398 /nfs/dbraw/zinc/14/93/98/685149398.db2.gz JPIKEASACYKFMY-XGXHKWSGSA-N 1 0 302.462 3.197 10 0 DGAERO c1ccc(COc2ccc(C[NH2+]Cc3cncnc3)cc2)cc1 ZINC000380913670 685153910 /nfs/dbraw/zinc/15/39/10/685153910.db2.gz OVOQYGAFINGKOV-UHFFFAOYSA-N 1 0 305.381 3.345 10 0 DGAERO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1Br ZINC000381055725 685155113 /nfs/dbraw/zinc/15/51/13/685155113.db2.gz LJWBHOAJVAXUET-VMIOKAOGSA-N 1 0 321.262 3.096 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)o1 ZINC000381727166 685158620 /nfs/dbraw/zinc/15/86/20/685158620.db2.gz NMRFLSAFPCDVJL-PLNGDYQASA-N 1 0 300.786 3.104 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)C1(C)C ZINC000381778674 685160144 /nfs/dbraw/zinc/16/01/44/685160144.db2.gz XOFZIILQLUEDQQ-YIYPIFLZSA-N 1 0 314.470 3.081 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1(C)C ZINC000381778672 685160209 /nfs/dbraw/zinc/16/02/09/685160209.db2.gz XOFZIILQLUEDQQ-XDQVBPFNSA-N 1 0 314.470 3.081 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000382043915 685161581 /nfs/dbraw/zinc/16/15/81/685161581.db2.gz VCCQULCVLULABC-KNIAUWFNSA-N 1 0 308.466 3.412 10 0 DGAERO CC[C@@H](C[NH2+]C[C@@]1(C)CCCS1)NC(=O)OC(C)(C)C ZINC000382014944 685161724 /nfs/dbraw/zinc/16/17/24/685161724.db2.gz NXPLHNAYMDPORM-SWLSCSKDSA-N 1 0 302.484 3.165 10 0 DGAERO C[C@@]1(CNC(=O)c2cccc(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000383393589 685166057 /nfs/dbraw/zinc/16/60/57/685166057.db2.gz LMHFQOYVKQUIQR-FQEVSTJZSA-N 1 0 324.424 3.034 10 0 DGAERO CC(C)S(=O)(=O)CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000383702212 685168437 /nfs/dbraw/zinc/16/84/37/685168437.db2.gz OAWSKUQECPBGNC-HNNXBMFYSA-N 1 0 315.866 3.204 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CS1 ZINC000389808699 685196680 /nfs/dbraw/zinc/19/66/80/685196680.db2.gz DMHLSAUYBKZJGE-YIYPIFLZSA-N 1 0 314.495 3.116 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@@H]1C ZINC000390053046 685199168 /nfs/dbraw/zinc/19/91/68/685199168.db2.gz GZDRGFJRJBSBIS-APIJFGDWSA-N 1 0 308.466 3.410 10 0 DGAERO [NH2+]=C(NCc1ccn(Cc2ccccc2)n1)Nc1ccccc1 ZINC000390246058 685199573 /nfs/dbraw/zinc/19/95/73/685199573.db2.gz GQPIIUMJFFDYSM-UHFFFAOYSA-N 1 0 305.385 3.068 10 0 DGAERO N#Cc1ccc([C@@H](O)C[NH2+]CCCCOCc2ccccc2)cc1 ZINC000390656305 685203417 /nfs/dbraw/zinc/20/34/17/685203417.db2.gz HLKJNAJFXJJZRB-FQEVSTJZSA-N 1 0 324.424 3.178 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000390810616 685206254 /nfs/dbraw/zinc/20/62/54/685206254.db2.gz TWRCCEKFOSJKKE-LZWOXQAQSA-N 1 0 319.449 3.426 10 0 DGAERO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C#N ZINC000391117759 685208948 /nfs/dbraw/zinc/20/89/48/685208948.db2.gz PMARHKGZLJVXJU-UHFFFAOYSA-N 1 0 311.341 3.073 10 0 DGAERO CC1(C)SC[C@@H]1[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000393845236 685218758 /nfs/dbraw/zinc/21/87/58/685218758.db2.gz CWNSDGNWWIZHHX-NEPJUHHUSA-N 1 0 305.365 3.222 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000395552642 685225915 /nfs/dbraw/zinc/22/59/15/685225915.db2.gz AIWDIWVDADROJZ-QLFBSQMISA-N 1 0 314.470 3.179 10 0 DGAERO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]C3CSC3)cc2C1 ZINC000396465009 685227191 /nfs/dbraw/zinc/22/71/91/685227191.db2.gz VWLWJWCCELJHDW-UHFFFAOYSA-N 1 0 320.458 3.142 10 0 DGAERO C[C@@H](CCc1ccco1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000397606037 685230722 /nfs/dbraw/zinc/23/07/22/685230722.db2.gz AEKNFSNUKVITRS-ZDUSSCGKSA-N 1 0 308.422 3.057 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000397797112 685232425 /nfs/dbraw/zinc/23/24/25/685232425.db2.gz CZIYPENHWCOOCN-QGZVFWFLSA-N 1 0 316.445 3.000 10 0 DGAERO CC1=C[C@H](C)C[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000397859692 685233384 /nfs/dbraw/zinc/23/33/84/685233384.db2.gz WXBKRGJQQMDXLI-ZFWWWQNUSA-N 1 0 308.466 3.435 10 0 DGAERO CC(C)CCC[NH2+]C[C@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398770380 1176020452 /nfs/dbraw/zinc/02/04/52/1176020452.db2.gz CDKSEDFLHUBWJT-AWEZNQCLSA-N 1 0 302.459 3.493 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](ONC(=O)OC(C)(C)C)C(C)C)C1CC1 ZINC000398867744 1176094354 /nfs/dbraw/zinc/09/43/54/1176094354.db2.gz NZKXIYVMHWAQDS-UONOGXRCSA-N 1 0 300.443 3.246 10 0 DGAERO Ic1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000083849118 1176158159 /nfs/dbraw/zinc/15/81/59/1176158159.db2.gz VZILUPHAJYLEGY-UHFFFAOYSA-N 1 0 313.138 3.174 10 0 DGAERO CCc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)cc(Cl)n1 ZINC000228081709 1176801988 /nfs/dbraw/zinc/80/19/88/1176801988.db2.gz SHYYTCLTAJHWNI-UHFFFAOYSA-N 1 0 311.857 3.146 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2cnc[nH]2)cc1 ZINC000227585926 1176916594 /nfs/dbraw/zinc/91/65/94/1176916594.db2.gz JJMZYLDSMHLNAJ-UHFFFAOYSA-N 1 0 302.378 3.047 10 0 DGAERO C[C@H](Cc1ccsc1)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000251293742 1176998393 /nfs/dbraw/zinc/99/83/93/1176998393.db2.gz DFDDUKXPOSIOBN-BVUBDWEXSA-N 1 0 306.475 3.106 10 0 DGAERO COCc1cccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC000397870217 1177013076 /nfs/dbraw/zinc/01/30/76/1177013076.db2.gz SHVPLBWSIMWIOA-UHFFFAOYSA-N 1 0 322.449 3.228 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+]C[C@]1(C)CCCS1 ZINC000397977197 1177014686 /nfs/dbraw/zinc/01/46/86/1177014686.db2.gz PMGKMUBXFSQVDL-HNNXBMFYSA-N 1 0 302.484 3.167 10 0 DGAERO CCCCNC(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398137020 1177016398 /nfs/dbraw/zinc/01/63/98/1177016398.db2.gz HOVFHAIPIRCHGN-KRWDZBQOSA-N 1 0 305.466 3.242 10 0 DGAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CC1CCC(O)CC1 ZINC000398133819 1177016633 /nfs/dbraw/zinc/01/66/33/1177016633.db2.gz KKQIIFSPMNLIIW-UUKMXZOPSA-N 1 0 318.505 3.284 10 0 DGAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000398116446 1177016672 /nfs/dbraw/zinc/01/66/72/1177016672.db2.gz FXFBNWSGLCTMIG-HSALFYBXSA-N 1 0 318.505 3.284 10 0 DGAERO CCC[C@@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)OC ZINC000382106067 1177027833 /nfs/dbraw/zinc/02/78/33/1177027833.db2.gz IKAHLAXDDOSDGC-AWEZNQCLSA-N 1 0 316.486 3.427 10 0 DGAERO CC/C=C\C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000385031478 1177152573 /nfs/dbraw/zinc/15/25/73/1177152573.db2.gz PVRIAGMLVCDDLE-CLTKARDFSA-N 1 0 302.418 3.343 10 0 DGAERO CCn1ccnc1C[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC000385179937 1177156662 /nfs/dbraw/zinc/15/66/62/1177156662.db2.gz LXJKTVXAZQDUMK-AWEZNQCLSA-N 1 0 324.469 3.076 10 0 DGAERO CC(C)C[C@H](C)[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000129912903 1177313227 /nfs/dbraw/zinc/31/32/27/1177313227.db2.gz KPRYJFKRWMUKPB-NSHDSACASA-N 1 0 303.855 3.268 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]CCn2cc(Br)cn2)CC1 ZINC000310304416 1177644135 /nfs/dbraw/zinc/64/41/35/1177644135.db2.gz RFPUYJWDIOTAOZ-YPMHNXCESA-N 1 0 300.244 3.204 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085366567 1177712784 /nfs/dbraw/zinc/71/27/84/1177712784.db2.gz AMISVWHGBKXFHL-WCQYABFASA-N 1 0 315.244 3.469 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000085371542 1177713423 /nfs/dbraw/zinc/71/34/23/1177713423.db2.gz HBKJUANTHIOPLD-ONGXEEELSA-N 1 0 318.751 3.397 10 0 DGAERO CN1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000044562150 1194286999 /nfs/dbraw/zinc/28/69/99/1194286999.db2.gz OQHCIBIELOFJTP-CYBMUJFWSA-N 1 0 315.230 3.162 10 0 DGAERO CC[C@@H](C)[NH+]1CCN(Cc2cc(Br)cs2)CC1 ZINC000055069241 1194795519 /nfs/dbraw/zinc/79/55/19/1194795519.db2.gz ROBFDPXAGNTLDC-LLVKDONJSA-N 1 0 317.296 3.427 10 0 DGAERO CC(C)(C)OC(=O)CC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000064795209 1195369219 /nfs/dbraw/zinc/36/92/19/1195369219.db2.gz YGYJBZDCWLJLJL-UHFFFAOYSA-N 1 0 305.418 3.262 10 0 DGAERO c1cc2c(cc1C[NH2+]CCCOC1CCCCC1)OCCO2 ZINC000066236624 1195511923 /nfs/dbraw/zinc/51/19/23/1195511923.db2.gz PNHCAIHNCJDIJH-UHFFFAOYSA-N 1 0 305.418 3.287 10 0 DGAERO COc1ccc(OCC[NH2+]Cc2cc(C)ccc2OC)cc1 ZINC000070755854 1195899425 /nfs/dbraw/zinc/89/94/25/1195899425.db2.gz LOVQQHCNTHLSCX-UHFFFAOYSA-N 1 0 301.386 3.181 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)Cc2ccsc2)CC1 ZINC000081457501 1197221703 /nfs/dbraw/zinc/22/17/03/1197221703.db2.gz UNQJLGCFNAGLEK-AWEZNQCLSA-N 1 0 308.491 3.258 10 0 DGAERO CC[C@@H]([NH2+]C1CC(c2ccccc2Br)C1)[C@@H](C)O ZINC000386739922 1197708197 /nfs/dbraw/zinc/70/81/97/1197708197.db2.gz XXHNYLBVGDZHPP-TVRADYJESA-N 1 0 312.251 3.444 10 0 DGAERO CC[C@@](C)(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000322522638 1197687961 /nfs/dbraw/zinc/68/79/61/1197687961.db2.gz MMBNEBZUWCXIRA-BBRMVZONSA-N 1 0 302.459 3.085 10 0 DGAERO CC[C@@](C)(C[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)OC ZINC000322953451 1197688905 /nfs/dbraw/zinc/68/89/05/1197688905.db2.gz SFBDULNLOKTRQE-PBHICJAKSA-N 1 0 316.486 3.475 10 0 DGAERO CCC1([NH2+]Cc2ccc(I)cc2)CC1 ZINC000379721525 1197703396 /nfs/dbraw/zinc/70/33/96/1197703396.db2.gz GJFACTXSMSGWNC-UHFFFAOYSA-N 1 0 301.171 3.323 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1sccc1Br ZINC000380977083 1197703494 /nfs/dbraw/zinc/70/34/94/1197703494.db2.gz AFQONIXJHQOPRC-UHFFFAOYSA-N 1 0 306.269 3.399 10 0 DGAERO Cc1nc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000379655791 1197704117 /nfs/dbraw/zinc/70/41/17/1197704117.db2.gz NBENNXULFMKXRI-IBGZPJMESA-N 1 0 320.440 3.150 10 0 DGAERO CCCn1cncc1C[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000390603836 1197713447 /nfs/dbraw/zinc/71/34/47/1197713447.db2.gz ZLPYWTDXWVFKFF-GOSISDBHSA-N 1 0 312.461 3.047 10 0 DGAERO CC(C)(C)C[C@@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000393455147 1197719264 /nfs/dbraw/zinc/71/92/64/1197719264.db2.gz BKDQSVVYZKXGSF-NSHDSACASA-N 1 0 318.230 3.475 10 0 DGAERO CC(C)(C)C[C@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000393455146 1197719653 /nfs/dbraw/zinc/71/96/53/1197719653.db2.gz BKDQSVVYZKXGSF-LLVKDONJSA-N 1 0 318.230 3.475 10 0 DGAERO CC(C)[C@H](CO)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000092393915 1198567173 /nfs/dbraw/zinc/56/71/73/1198567173.db2.gz INGCFMSEJIIDGJ-WFASDCNBSA-N 1 0 301.377 3.216 10 0 DGAERO Fc1ccc(C[NH2+]CCN2CCc3ccccc3C2)c(F)c1 ZINC000097206027 1199102692 /nfs/dbraw/zinc/10/26/92/1199102692.db2.gz SCUASANJCKUVGR-UHFFFAOYSA-N 1 0 302.368 3.113 10 0 DGAERO CCC[C@H](C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)OC ZINC000401725367 1199416742 /nfs/dbraw/zinc/41/67/42/1199416742.db2.gz PWAXRDWCFQJSOK-QLFBSQMISA-N 1 0 314.470 3.037 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)(C)C ZINC000401972367 1199428428 /nfs/dbraw/zinc/42/84/28/1199428428.db2.gz OETXVFPPMVXRGO-ZBFHGGJFSA-N 1 0 304.434 3.422 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403622926 1199510550 /nfs/dbraw/zinc/51/05/50/1199510550.db2.gz HTSFQUNTZSJBLK-AGUYFDCRSA-N 1 0 314.495 3.308 10 0 DGAERO CCC[C@H](C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)OC ZINC000404567908 1199570452 /nfs/dbraw/zinc/57/04/52/1199570452.db2.gz FADGQQYPKNTNND-CQSZACIVSA-N 1 0 314.470 3.086 10 0 DGAERO CO[C@](C)(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1CC1 ZINC000309875618 1199711192 /nfs/dbraw/zinc/71/11/92/1199711192.db2.gz VOEWJLYLYQIUKM-CXAGYDPISA-N 1 0 314.470 3.085 10 0 DGAERO Oc1ccc(Br)c(C[NH2+]CCOC2CCCC2)c1 ZINC000315053256 1199799264 /nfs/dbraw/zinc/79/92/64/1199799264.db2.gz SVPYKXOFDCBRDF-UHFFFAOYSA-N 1 0 314.223 3.204 10 0 DGAERO C=CCOc1ccc(C[NH2+]CC(C)(C)C(=O)NCC)cc1Cl ZINC000120867784 1200179226 /nfs/dbraw/zinc/17/92/26/1200179226.db2.gz PJUUNKJPICVDTJ-UHFFFAOYSA-N 1 0 324.852 3.157 10 0 DGAERO c1sc2ccccc2c1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000123671723 1200286646 /nfs/dbraw/zinc/28/66/46/1200286646.db2.gz DACNHAHWVWPMSI-CQSZACIVSA-N 1 0 305.443 3.434 10 0 DGAERO c1ccc(OCC2CC2)c(C[NH2+]C[C@H]2CSCCS2)c1 ZINC000151113890 1201057538 /nfs/dbraw/zinc/05/75/38/1201057538.db2.gz IXOMTXAADZXRAS-HNNXBMFYSA-N 1 0 309.500 3.414 10 0 DGAERO CCCC(=O)N[C@H]1CCCN(Cc2cccc(C(C)C)n2)C1 ZINC000131020325 1201093743 /nfs/dbraw/zinc/09/37/43/1201093743.db2.gz UVHFCBGIMPGVRC-INIZCTEOSA-N 1 0 303.450 3.086 10 0 DGAERO C=CCOc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)cc1Cl ZINC000133354050 1201190921 /nfs/dbraw/zinc/19/09/21/1201190921.db2.gz NGBVGDNLVXBSMJ-ODXCJYRJSA-N 1 0 315.866 3.152 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000135965837 1201207492 /nfs/dbraw/zinc/20/74/92/1201207492.db2.gz ZVJVGTCYYRHUEM-HOTGVXAUSA-N 1 0 324.509 3.256 10 0 DGAERO c1nc(C2CCCC2)sc1C[NH2+]CCCOC1CCOCC1 ZINC000136212631 1201211085 /nfs/dbraw/zinc/21/10/85/1201211085.db2.gz CTGITDODTOIFBE-UHFFFAOYSA-N 1 0 324.490 3.476 10 0 DGAERO c1cc(-c2ncc(C[NH2+]CCCO[C@@H]3CCOC3)s2)cs1 ZINC000152958602 1202595577 /nfs/dbraw/zinc/59/55/77/1202595577.db2.gz HCRQJMDZESSZLZ-CYBMUJFWSA-N 1 0 324.471 3.157 10 0 DGAERO c1cn(CCC[NH2+]Cc2cnc3ccccn23)c2ccccc12 ZINC000236718467 1202622041 /nfs/dbraw/zinc/62/20/41/1202622041.db2.gz LTAYSEYOIMWOSE-UHFFFAOYSA-N 1 0 304.397 3.469 10 0 DGAERO C=CC[NH+]1CCC(NCc2c(C)nn(CCCC)c2Cl)CC1 ZINC000236737789 1202622644 /nfs/dbraw/zinc/62/26/44/1202622644.db2.gz CRZNFOQNEBRXRW-UHFFFAOYSA-N 1 0 324.900 3.385 10 0 DGAERO c1cnn(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)c1 ZINC000236758219 1202623281 /nfs/dbraw/zinc/62/32/81/1202623281.db2.gz WSFFZTACBWDHET-UHFFFAOYSA-N 1 0 307.397 3.252 10 0 DGAERO Cc1ccc(Cl)cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248837164 1203810201 /nfs/dbraw/zinc/81/02/01/1203810201.db2.gz MTYFGDHILNUDEL-XJKSGUPXSA-N 1 0 323.868 3.273 10 0 DGAERO CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1OCC ZINC000172100617 1203861364 /nfs/dbraw/zinc/86/13/64/1203861364.db2.gz JPTFOFLCKCIWJI-MCPYQZEQSA-N 1 0 319.445 3.077 10 0 DGAERO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261876328 1204298599 /nfs/dbraw/zinc/29/85/99/1204298599.db2.gz ZSFDVTPUCQCFTB-VHSXEESVSA-N 1 0 314.216 3.067 10 0 DGAERO O=C(Nc1ccnc(Cl)c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000181863923 1204339577 /nfs/dbraw/zinc/33/95/77/1204339577.db2.gz WANDJGCJHYXUFQ-CQSZACIVSA-N 1 0 322.840 3.121 10 0 DGAERO CC(C)C1CC([NH2+]C2CN(C(=O)OCc3ccccc3)C2)C1 ZINC000397263254 1081820983 /nfs/dbraw/zinc/82/09/83/1081820983.db2.gz KTVSIILDDATMOE-UHFFFAOYSA-N 1 0 302.418 3.032 10 0 DGAERO C/C(=C/c1ccc(C)cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000588401005 1082142250 /nfs/dbraw/zinc/14/22/50/1082142250.db2.gz FHAQTMJVAVOZPU-GUTJPQFXSA-N 1 0 312.457 3.341 10 0 DGAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\C(C)(C)C)[C@@H](C)C1 ZINC000588498027 1082493546 /nfs/dbraw/zinc/49/35/46/1082493546.db2.gz YKYMIRREICJLFB-CUMWXBBOSA-N 1 0 324.509 3.232 10 0 DGAERO CN1C(=O)CCc2cc(C[NH2+]C/C=C\c3ccccc3)ccc21 ZINC000588512374 1082521318 /nfs/dbraw/zinc/52/13/18/1082521318.db2.gz YUZVSPQWTJXILQ-YVMONPNESA-N 1 0 306.409 3.399 10 0 DGAERO CCN1CC[C@H]1C[NH2+]Cc1cc(Br)c(C)s1 ZINC000712571623 1085756332 /nfs/dbraw/zinc/75/63/32/1085756332.db2.gz KAHTWQKZKMVZCP-JTQLQIEISA-N 1 0 303.269 3.003 10 0 DGAERO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1-c1ccccc1 ZINC000051383509 1089144077 /nfs/dbraw/zinc/14/40/77/1089144077.db2.gz AXBMUPXNTYHXMU-KRWDZBQOSA-N 1 0 324.424 3.186 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]Cc1cccc(Br)c1F ZINC000720289573 1090903300 /nfs/dbraw/zinc/90/33/00/1090903300.db2.gz RYYBAPLVJSVEMW-VIFPVBQESA-N 1 0 304.203 3.491 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]C[C@H]3CCC=CO3)CCC[C@@H]12 ZINC000711640242 1091328127 /nfs/dbraw/zinc/32/81/27/1091328127.db2.gz NWHNVEIKYKCQQX-IIDMSEBBSA-N 1 0 322.449 3.201 10 0 DGAERO CCSCC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400633738 1091800440 /nfs/dbraw/zinc/80/04/40/1091800440.db2.gz HOUYOBZTCSBICS-ZDUSSCGKSA-N 1 0 316.511 3.365 10 0 DGAERO CSCCCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401750322 1092193313 /nfs/dbraw/zinc/19/33/13/1092193313.db2.gz XIZVGKMVDRFIPY-KBPBESRZSA-N 1 0 316.511 3.365 10 0 DGAERO Cc1noc([C@H]([NH2+]CCCOCCc2ccccc2)C(C)C)n1 ZINC000179883727 1093820037 /nfs/dbraw/zinc/82/00/37/1093820037.db2.gz YWOQJHZCSYLJOX-QGZVFWFLSA-N 1 0 317.433 3.314 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ncc[nH]1 ZINC000400446082 1093895264 /nfs/dbraw/zinc/89/52/64/1093895264.db2.gz AUPQARDWEDCWIZ-STQMWFEESA-N 1 0 322.453 3.096 10 0 DGAERO Cc1cc(C[NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC000400504985 1093900377 /nfs/dbraw/zinc/90/03/77/1093900377.db2.gz CYPYRPOUBVTGSS-ZDUSSCGKSA-N 1 0 323.437 3.108 10 0 DGAERO C[C@H]1SCC[C@H]1[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401708636 1093966906 /nfs/dbraw/zinc/96/69/06/1093966906.db2.gz CPKNANMLQNVRGT-YIYPIFLZSA-N 1 0 314.495 3.116 10 0 DGAERO CC(C)OCCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401832008 1093973864 /nfs/dbraw/zinc/97/38/64/1093973864.db2.gz JVTPSHXITXFVJB-GJZGRUSLSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)OCCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401832004 1093973917 /nfs/dbraw/zinc/97/39/17/1093973917.db2.gz JVTPSHXITXFVJB-CABCVRRESA-N 1 0 314.470 3.037 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CO1 ZINC000401962087 1093982496 /nfs/dbraw/zinc/98/24/96/1093982496.db2.gz XVSWODCBCKICAR-KFWWJZLASA-N 1 0 324.465 3.076 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403560622 1094142837 /nfs/dbraw/zinc/14/28/37/1094142837.db2.gz KYPHVSZMJIGAIF-PJIALRRASA-N 1 0 314.495 3.304 10 0 DGAERO CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccns1 ZINC000404420829 1094256992 /nfs/dbraw/zinc/25/69/92/1094256992.db2.gz COZVAKIFFHCORG-GFCCVEGCSA-N 1 0 313.467 3.316 10 0 DGAERO C[C@@H]1CSC[C@H]1[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404667427 1094263860 /nfs/dbraw/zinc/26/38/60/1094263860.db2.gz AYLYXSXPFWLUHD-CHWSQXEVSA-N 1 0 314.495 3.023 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCC(C)(F)F)C12CCC2 ZINC000405236180 1094311068 /nfs/dbraw/zinc/31/10/68/1094311068.db2.gz SROQOALTOATJEC-VXGBXAGGSA-N 1 0 318.408 3.457 10 0 DGAERO COC[C@@H](C[NH2+]Cc1cccc(Br)c1)C(C)C ZINC000721987073 1098261995 /nfs/dbraw/zinc/26/19/95/1098261995.db2.gz QEJFJLNJPYWZKT-CYBMUJFWSA-N 1 0 300.240 3.457 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000722505628 1100299891 /nfs/dbraw/zinc/29/98/91/1100299891.db2.gz LKPNAIHPYJYYCJ-ZYHUDNBSSA-N 1 0 315.244 3.197 10 0 DGAERO C[C@H]1[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CCN1C ZINC000719597836 1104957148 /nfs/dbraw/zinc/95/71/48/1104957148.db2.gz FWBPJKUONUXSKY-SXSDBLRQSA-N 1 0 323.278 3.377 10 0 DGAERO Cc1cnc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000724056595 1106600114 /nfs/dbraw/zinc/60/01/14/1106600114.db2.gz FKEBILKLZXUHON-CBAPKCEASA-N 1 0 318.311 3.051 10 0 DGAERO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000724120564 1106629482 /nfs/dbraw/zinc/62/94/82/1106629482.db2.gz MFRWNTOTUQXVIW-QWHCGFSZSA-N 1 0 302.187 3.197 10 0 DGAERO CCCCNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386592645 1108446469 /nfs/dbraw/zinc/44/64/69/1108446469.db2.gz XACWBZBGVOFDJB-UHFFFAOYSA-N 1 0 303.450 3.140 10 0 DGAERO Fc1ccc(SCCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000076680221 185030613 /nfs/dbraw/zinc/03/06/13/185030613.db2.gz ZLZQMHXIOXAUDG-UHFFFAOYSA-N 1 0 308.466 3.478 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183728045 282100678 /nfs/dbraw/zinc/10/06/78/282100678.db2.gz CBUDMVADCVZFDZ-BPCQOVAHSA-N 1 0 316.371 3.380 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000081829836 192329957 /nfs/dbraw/zinc/32/99/57/192329957.db2.gz RCAQCCSTDQYBMS-ROHVMALMSA-N 1 0 304.409 3.028 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000181282436 199275599 /nfs/dbraw/zinc/27/55/99/199275599.db2.gz NUVRQDBDZRMOML-UHFFFAOYSA-N 1 0 321.490 3.229 10 0 DGAERO CCC[C@H]1C[NH2+]CCN1Cc1cc(Br)cs1 ZINC000082926822 185209617 /nfs/dbraw/zinc/20/96/17/185209617.db2.gz ANZGBBVAOLVIKC-NSHDSACASA-N 1 0 303.269 3.085 10 0 DGAERO C[C@H](N[C@H]1CCC(=O)NC12CCC2)c1nc(C(C)(C)C)no1 ZINC000328725586 231321608 /nfs/dbraw/zinc/32/16/08/231321608.db2.gz ZCSGUAJKVPMBFU-QWRGUYRKSA-N 1 0 306.410 3.059 10 0 DGAERO CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1 ZINC000103230656 432005612 /nfs/dbraw/zinc/00/56/12/432005612.db2.gz IEHAIEJKDKWRJP-INIZCTEOSA-N 1 0 315.417 3.231 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)[C@H]2CSc3ccccc32)CC1 ZINC000129465158 432005748 /nfs/dbraw/zinc/00/57/48/432005748.db2.gz OVLUZGKHSOCZOR-XUJLQICISA-N 1 0 318.486 3.113 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000090227920 185287943 /nfs/dbraw/zinc/28/79/43/185287943.db2.gz XFRAIQLFXFJNNL-ROUUACIJSA-N 1 0 310.445 3.341 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)C(C)C ZINC000090453859 185297467 /nfs/dbraw/zinc/29/74/67/185297467.db2.gz MHOHXAOOMIEGLQ-SJLPKXTDSA-N 1 0 313.445 3.133 10 0 DGAERO Cc1c(Br)cccc1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000090548812 185302468 /nfs/dbraw/zinc/30/24/68/185302468.db2.gz KOULTQRWYWNKLP-GFCCVEGCSA-N 1 0 312.251 3.350 10 0 DGAERO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2cc[nH]c2)CC1 ZINC000092453553 185319727 /nfs/dbraw/zinc/31/97/27/185319727.db2.gz BBXAHFXSAGGORM-UHFFFAOYSA-N 1 0 317.820 3.016 10 0 DGAERO CCCOc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1OC ZINC000092616162 185329501 /nfs/dbraw/zinc/32/95/01/185329501.db2.gz JARXGDXYKNHZMJ-QGZVFWFLSA-N 1 0 318.461 3.154 10 0 DGAERO CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092789044 185341133 /nfs/dbraw/zinc/34/11/33/185341133.db2.gz SVRCWWXFZNDDNT-CYBMUJFWSA-N 1 0 318.490 3.381 10 0 DGAERO CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788925 185341275 /nfs/dbraw/zinc/34/12/75/185341275.db2.gz LIZTUGFZAMEDRL-HNNXBMFYSA-N 1 0 315.442 3.481 10 0 DGAERO CCc1csc([C@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)n1 ZINC000092789060 185341299 /nfs/dbraw/zinc/34/12/99/185341299.db2.gz JJTQJNJHAPGJHQ-ZDUSSCGKSA-N 1 0 304.463 3.127 10 0 DGAERO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cn1 ZINC000092788995 185341355 /nfs/dbraw/zinc/34/13/55/185341355.db2.gz WKXNBJZMTMLTIC-AWEZNQCLSA-N 1 0 304.463 3.474 10 0 DGAERO CCc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)o1 ZINC000092754801 185338328 /nfs/dbraw/zinc/33/83/28/185338328.db2.gz WNEDMCLGQIYLFV-AWEZNQCLSA-N 1 0 306.450 3.215 10 0 DGAERO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812783 185343380 /nfs/dbraw/zinc/34/33/80/185343380.db2.gz KAUUCLFZUNVETO-AWEZNQCLSA-N 1 0 313.449 3.036 10 0 DGAERO c1ccc(NC[C@@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)nc1 ZINC000092812685 185343489 /nfs/dbraw/zinc/34/34/89/185343489.db2.gz VWZKDRSMAAFRDS-INIZCTEOSA-N 1 0 321.424 3.291 10 0 DGAERO Cc1nn(C)c(C[NH2+]C2C(C)(C)C2(C)C)c1Br ZINC000092817094 185343965 /nfs/dbraw/zinc/34/39/65/185343965.db2.gz GQQFECXDGYAKMP-UHFFFAOYSA-N 1 0 300.244 3.015 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093945889 282263194 /nfs/dbraw/zinc/26/31/94/282263194.db2.gz MQDLAZGZOSFWKI-UONOGXRCSA-N 1 0 314.477 3.385 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3cnc4c(C)cccn34)CC2)cn1 ZINC000092809290 185342769 /nfs/dbraw/zinc/34/27/69/185342769.db2.gz AOBVWIFDMNGGML-UHFFFAOYSA-N 1 0 323.444 3.239 10 0 DGAERO CCCCS[C@@H](C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129608710 432006901 /nfs/dbraw/zinc/00/69/01/432006901.db2.gz FYHLGKBHZCHMDC-NFOMZHRRSA-N 1 0 300.512 3.145 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000092929545 185349521 /nfs/dbraw/zinc/34/95/21/185349521.db2.gz GBHTYWGKZIHJAN-QWHCGFSZSA-N 1 0 307.825 3.349 10 0 DGAERO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccncc1 ZINC000181394248 199290348 /nfs/dbraw/zinc/29/03/48/199290348.db2.gz LMTJBIXRRGJTGW-XHDPSFHLSA-N 1 0 321.218 3.228 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCc2ccccn2)cc1OC ZINC000181485537 199304726 /nfs/dbraw/zinc/30/47/26/199304726.db2.gz QUDVZPSBFMVOKY-CQSZACIVSA-N 1 0 300.402 3.382 10 0 DGAERO Cc1ccc(O)c(C[NH2+]Cc2ccc(Br)cc2)n1 ZINC000103344212 432007398 /nfs/dbraw/zinc/00/73/98/432007398.db2.gz DGSZWHDYWACDCM-UHFFFAOYSA-N 1 0 307.191 3.148 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)s1 ZINC000181580065 199321711 /nfs/dbraw/zinc/32/17/11/199321711.db2.gz BANOQZCQKSPDNJ-SSDOTTSWSA-N 1 0 318.368 3.363 10 0 DGAERO CC(C)C[C@@H](C)OCCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129641284 432007746 /nfs/dbraw/zinc/00/77/46/432007746.db2.gz DNEBPIAVZWWXQF-KLAILNCOSA-N 1 0 312.498 3.064 10 0 DGAERO COC[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000103382325 432007852 /nfs/dbraw/zinc/00/78/52/432007852.db2.gz USZUFBQAGYBUIH-GJZGRUSLSA-N 1 0 304.434 3.282 10 0 DGAERO CN1C[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)CCC1=O ZINC000180238725 529821373 /nfs/dbraw/zinc/82/13/73/529821373.db2.gz RJGUQQADAFMBNT-SFHVURJKSA-N 1 0 308.425 3.029 10 0 DGAERO COC[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000103382323 432008102 /nfs/dbraw/zinc/00/81/02/432008102.db2.gz USZUFBQAGYBUIH-LSDHHAIUSA-N 1 0 304.434 3.282 10 0 DGAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000190580681 529840421 /nfs/dbraw/zinc/84/04/21/529840421.db2.gz HFHGFIBDLJFYPZ-MRXNPFEDSA-N 1 0 322.493 3.081 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000097093717 185408569 /nfs/dbraw/zinc/40/85/69/185408569.db2.gz HQKWSIBRDGKURL-RKDXNWHRSA-N 1 0 304.337 3.364 10 0 DGAERO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435139495 529880465 /nfs/dbraw/zinc/88/04/65/529880465.db2.gz WQQRNHHOODDTQK-UHFFFAOYSA-N 1 0 319.405 3.223 10 0 DGAERO Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1F ZINC000129715202 432008760 /nfs/dbraw/zinc/00/87/60/432008760.db2.gz WDDNZRHUPMFKAG-INIZCTEOSA-N 1 0 314.404 3.037 10 0 DGAERO C[C@@H]([NH3+])Cc1cc(Br)ccc1OCc1cccnc1 ZINC000037725183 190665090 /nfs/dbraw/zinc/66/50/90/190665090.db2.gz JJPTVTRQMHVJLR-LLVKDONJSA-N 1 0 321.218 3.313 10 0 DGAERO COC[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000103430846 185451107 /nfs/dbraw/zinc/45/11/07/185451107.db2.gz RYZSSTIUSRIMQA-OAHLLOKOSA-N 1 0 304.434 3.140 10 0 DGAERO C[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1F ZINC000108973488 185544419 /nfs/dbraw/zinc/54/44/19/185544419.db2.gz BNDYIZSPKBVLGM-HOTGVXAUSA-N 1 0 318.436 3.406 10 0 DGAERO COCCOc1ccccc1C[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000083470164 192370758 /nfs/dbraw/zinc/37/07/58/192370758.db2.gz WWDVZVAUBWXYBR-AEFFLSMTSA-N 1 0 321.461 3.253 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000277811861 213787008 /nfs/dbraw/zinc/78/70/08/213787008.db2.gz YYZXDKJNQNHGED-APEZIOSESA-N 1 0 324.472 3.390 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000104149712 432014446 /nfs/dbraw/zinc/01/44/46/432014446.db2.gz RAFLKLSGZHHTMP-CQSZACIVSA-N 1 0 320.824 3.040 10 0 DGAERO C[C@@H](NC(=O)CC[NH2+]C1CC1)c1ccc(Cl)cc1Cl ZINC000037612073 545672716 /nfs/dbraw/zinc/67/27/16/545672716.db2.gz AHDMYTILWNXIGX-SECBINFHSA-N 1 0 301.217 3.313 10 0 DGAERO Cc1cc(N2CCC([NH3+])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000070451886 190895104 /nfs/dbraw/zinc/89/51/04/190895104.db2.gz CNAOKYKMHMEXSW-UHFFFAOYSA-N 1 0 302.809 3.033 10 0 DGAERO CC(C)c1ccc(-c2cc3c(N4CC[C@H]([NH3+])C4)nccn3n2)cc1 ZINC000070459334 190897750 /nfs/dbraw/zinc/89/77/50/190897750.db2.gz KMMLSYVJSXXZDX-INIZCTEOSA-N 1 0 321.428 3.057 10 0 DGAERO CCC[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000140128589 186025399 /nfs/dbraw/zinc/02/53/99/186025399.db2.gz LUERLDZCUPUNRH-GOSISDBHSA-N 1 0 315.461 3.408 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000130403231 432024367 /nfs/dbraw/zinc/02/43/67/432024367.db2.gz KLKZZBNPKGNJKA-UHFFFAOYSA-N 1 0 312.816 3.329 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000150756210 186063934 /nfs/dbraw/zinc/06/39/34/186063934.db2.gz UDGANQXDQWWTTH-ZWNOBZJWSA-N 1 0 310.488 3.477 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000150756232 186064048 /nfs/dbraw/zinc/06/40/48/186064048.db2.gz UDGANQXDQWWTTH-GXFFZTMASA-N 1 0 310.488 3.477 10 0 DGAERO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000152399098 186068802 /nfs/dbraw/zinc/06/88/02/186068802.db2.gz KZVQDMHKAGOFQW-YPMHNXCESA-N 1 0 310.825 3.010 10 0 DGAERO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000245472517 282697347 /nfs/dbraw/zinc/69/73/47/282697347.db2.gz ZECVWHFPHSDDIL-PIIMJCKOSA-N 1 0 316.445 3.139 10 0 DGAERO CSc1ccc(C)c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155667734 186101078 /nfs/dbraw/zinc/10/10/78/186101078.db2.gz DDWNSYAMFCZLCG-XJKSGUPXSA-N 1 0 306.475 3.175 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000173302217 186174449 /nfs/dbraw/zinc/17/44/49/186174449.db2.gz SFGATZNMTWRMJE-CJNGLKHVSA-N 1 0 323.868 3.007 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc2cccnc21 ZINC000173332538 186177891 /nfs/dbraw/zinc/17/78/91/186177891.db2.gz BHJOKQPUQGNDLM-JKSUJKDBSA-N 1 0 324.428 3.325 10 0 DGAERO COCc1cccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000186062974 186237398 /nfs/dbraw/zinc/23/73/98/186237398.db2.gz HQGDXGSYIXCVJG-OAHLLOKOSA-N 1 0 319.449 3.219 10 0 DGAERO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000189953387 186254663 /nfs/dbraw/zinc/25/46/63/186254663.db2.gz AMGLHFFQJZFQEO-FZMZJTMJSA-N 1 0 316.214 3.229 10 0 DGAERO CC1CC[NH+](CCNC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194282571 186276844 /nfs/dbraw/zinc/27/68/44/186276844.db2.gz ZQEVXGNONBGORQ-UHFFFAOYSA-N 1 0 300.406 3.021 10 0 DGAERO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000237492856 186297352 /nfs/dbraw/zinc/29/73/52/186297352.db2.gz HIODMMKTDFORHP-CQSZACIVSA-N 1 0 309.413 3.197 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000106912581 432025826 /nfs/dbraw/zinc/02/58/26/432025826.db2.gz WGRHKKPRVYFOJE-VQTJNVASSA-N 1 0 322.452 3.175 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(F)cc1F)CC2 ZINC000171981158 198020485 /nfs/dbraw/zinc/02/04/85/198020485.db2.gz MOSTXPKVPBVFPF-DGCLKSJQSA-N 1 0 320.387 3.345 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3ccccc3OC(F)F)C2)cn1 ZINC000172057984 198031811 /nfs/dbraw/zinc/03/18/11/198031811.db2.gz WTKGEAFGQCRPNY-LBPRGKRZSA-N 1 0 307.344 3.011 10 0 DGAERO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000172056383 198032578 /nfs/dbraw/zinc/03/25/78/198032578.db2.gz PTAPYDLBFIDVAP-GFCCVEGCSA-N 1 0 305.809 3.072 10 0 DGAERO Cc1c(F)cccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000072604558 191200167 /nfs/dbraw/zinc/20/01/67/191200167.db2.gz SVCKLYXVHYFLSP-AGUYFDCRSA-N 1 0 305.397 3.271 10 0 DGAERO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172803012 198150730 /nfs/dbraw/zinc/15/07/30/198150730.db2.gz QAWBACCISXFBKM-CQSZACIVSA-N 1 0 317.458 3.382 10 0 DGAERO CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000172993049 198174699 /nfs/dbraw/zinc/17/46/99/198174699.db2.gz WMJIRIUWROOGIQ-HUUCEWRRSA-N 1 0 313.445 3.216 10 0 DGAERO CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000172993054 198174973 /nfs/dbraw/zinc/17/49/73/198174973.db2.gz WMJIRIUWROOGIQ-CABCVRRESA-N 1 0 313.445 3.216 10 0 DGAERO O=C(c1cccc2cc[nH]c21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000173129648 198187352 /nfs/dbraw/zinc/18/73/52/198187352.db2.gz BYKMYXNESUQWJT-MRXNPFEDSA-N 1 0 311.429 3.258 10 0 DGAERO CCCC[C@@H](CCC)CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000130807532 432030253 /nfs/dbraw/zinc/03/02/53/432030253.db2.gz GDMSGVMFLAMYOE-SJORKVTESA-N 1 0 307.482 3.249 10 0 DGAERO CSc1ccsc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000107358298 432031235 /nfs/dbraw/zinc/03/12/35/432031235.db2.gz YOAFCJMFYCFSCZ-UHFFFAOYSA-N 1 0 324.515 3.418 10 0 DGAERO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C2CCC2)c1 ZINC000173782307 198251777 /nfs/dbraw/zinc/25/17/77/198251777.db2.gz CWGJWGAVVAZGGQ-UHFFFAOYSA-N 1 0 303.450 3.222 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccc(-n2cncn2)cc1)Cc1ccccc1 ZINC000182067347 199381702 /nfs/dbraw/zinc/38/17/02/199381702.db2.gz YTQWYUAVRZKOFN-MRXNPFEDSA-N 1 0 306.413 3.236 10 0 DGAERO C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2nnc(C3CC3)n2C)C1 ZINC000173923288 198269268 /nfs/dbraw/zinc/26/92/68/198269268.db2.gz DQYHCTKWMZINFV-LRDDRELGSA-N 1 0 314.408 3.415 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000173999588 198279481 /nfs/dbraw/zinc/27/94/81/198279481.db2.gz SRGDJCYZMLGVGA-GOOCMWNKSA-N 1 0 321.490 3.213 10 0 DGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H](C)c1cccnc1 ZINC000174087443 198289794 /nfs/dbraw/zinc/28/97/94/198289794.db2.gz HZVLBKPZSSBOQC-MRXNPFEDSA-N 1 0 305.466 3.012 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)C(C)(C)c2ccccc2F)CC1 ZINC000174126376 198294478 /nfs/dbraw/zinc/29/44/78/198294478.db2.gz IXFXLCTZTLGQEI-UHFFFAOYSA-N 1 0 320.452 3.342 10 0 DGAERO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000174246234 198309768 /nfs/dbraw/zinc/30/97/68/198309768.db2.gz RWXCCXBYVMDLKA-INIZCTEOSA-N 1 0 323.440 3.462 10 0 DGAERO CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174537926 198348922 /nfs/dbraw/zinc/34/89/22/198348922.db2.gz LJQACKYXBNFKTH-MQVJKMGUSA-N 1 0 301.434 3.386 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000174785646 198385801 /nfs/dbraw/zinc/38/58/01/198385801.db2.gz JJDTTXPSUWDGHB-MSOLQXFVSA-N 1 0 313.445 3.124 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1OCCC(C)C ZINC000236778587 202003865 /nfs/dbraw/zinc/00/38/65/202003865.db2.gz RTEWWFHDOHSUJE-CABCVRRESA-N 1 0 304.434 3.486 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000236779206 202004510 /nfs/dbraw/zinc/00/45/10/202004510.db2.gz IIOFMSYCBRULGW-UHFFFAOYSA-N 1 0 318.436 3.308 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000107693335 432037875 /nfs/dbraw/zinc/03/78/75/432037875.db2.gz PUAPEEBQUMRHJW-HNNXBMFYSA-N 1 0 304.434 3.107 10 0 DGAERO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCC3)CCO2 ZINC000248735392 283007517 /nfs/dbraw/zinc/00/75/17/283007517.db2.gz PNORJRHTPNISSJ-WNOSKKOXSA-N 1 0 303.377 3.197 10 0 DGAERO CCn1cnnc1C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182762261 199487115 /nfs/dbraw/zinc/48/71/15/199487115.db2.gz KVPMSJSVNFBMOS-UHFFFAOYSA-N 1 0 316.424 3.249 10 0 DGAERO OCC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000067825629 432042489 /nfs/dbraw/zinc/04/24/89/432042489.db2.gz LSOHKJUAPARCIM-MRXNPFEDSA-N 1 0 304.365 3.218 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000173799713 283059834 /nfs/dbraw/zinc/05/98/34/283059834.db2.gz QYAPNRBHTHBECT-CGTJXYLNSA-N 1 0 306.494 3.393 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000163911606 432044143 /nfs/dbraw/zinc/04/41/43/432044143.db2.gz IYAGGYZAIVNIDQ-UHFFFAOYSA-N 1 0 313.445 3.389 10 0 DGAERO Clc1nc2c3ccccc3oc2c(N[C@H]2CCC[NH2+]C2)n1 ZINC000073736301 191349163 /nfs/dbraw/zinc/34/91/63/191349163.db2.gz MEEMJTNHSCUOEC-VIFPVBQESA-N 1 0 302.765 3.193 10 0 DGAERO Clc1nc2c3ccccc3[nH]c2c(NC[C@H]2CCC[NH2+]C2)n1 ZINC000073736431 191349514 /nfs/dbraw/zinc/34/95/14/191349514.db2.gz MRGVUMHPWZWBRX-JTQLQIEISA-N 1 0 315.808 3.176 10 0 DGAERO CC(C)CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000074792006 191361975 /nfs/dbraw/zinc/36/19/75/191361975.db2.gz NAOLXWAUYCCKLK-ZXFUBFMLSA-N 1 0 307.482 3.222 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)SCC[NH+](C)C ZINC000179170048 432046997 /nfs/dbraw/zinc/04/69/97/432046997.db2.gz IQLMRYBDEBADCN-OAHLLOKOSA-N 1 0 308.491 3.107 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000164320239 432047592 /nfs/dbraw/zinc/04/75/92/432047592.db2.gz HOXHNYQZSONTGM-XHDPSFHLSA-N 1 0 309.841 3.499 10 0 DGAERO COc1cccc(F)c1[C@H](C)[NH2+]CCCCn1ccnc1C ZINC000164627851 432050020 /nfs/dbraw/zinc/05/00/20/432050020.db2.gz KJLIDYIVONGSAO-ZDUSSCGKSA-N 1 0 305.397 3.470 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000179212365 432050416 /nfs/dbraw/zinc/05/04/16/432050416.db2.gz YAUMJTPDBCSICD-OAHLLOKOSA-N 1 0 320.234 3.231 10 0 DGAERO CC(C)Cn1ccnc1CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000164817754 432051773 /nfs/dbraw/zinc/05/17/73/432051773.db2.gz BJFJNLQJGWPNSI-JLCFBVMHSA-N 1 0 319.474 3.127 10 0 DGAERO CC[C@H](C)CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179275756 432052364 /nfs/dbraw/zinc/05/23/64/432052364.db2.gz CRNHYTZGKTUAQI-USXIJHARSA-N 1 0 303.450 3.119 10 0 DGAERO COc1ccc(/C=C/C(=O)O[C@H]2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000005524618 181253097 /nfs/dbraw/zinc/25/30/97/181253097.db2.gz YFCDMEJSQRDGGK-BSECCWRJSA-N 1 0 317.429 3.372 10 0 DGAERO CCCC[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(OC)cc1 ZINC000165029937 432053587 /nfs/dbraw/zinc/05/35/87/432053587.db2.gz HZXIWSNVEHGZEJ-KRWDZBQOSA-N 1 0 319.449 3.059 10 0 DGAERO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000080715879 192184929 /nfs/dbraw/zinc/18/49/29/192184929.db2.gz LSJFZRBXVHPQIO-RJCAOGMDSA-N 1 0 304.409 3.061 10 0 DGAERO CCOCCCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000165136288 432054554 /nfs/dbraw/zinc/05/45/54/432054554.db2.gz PMSCWPCRXSRRKK-ZDUSSCGKSA-N 1 0 308.422 3.121 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000081334327 192252557 /nfs/dbraw/zinc/25/25/57/192252557.db2.gz YQDAOQMUHDAZAT-HNNXBMFYSA-N 1 0 320.452 3.294 10 0 DGAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccnc1-n1cncn1 ZINC000179400703 432056243 /nfs/dbraw/zinc/05/62/43/432056243.db2.gz PGAQUDYNESPIGM-PBHICJAKSA-N 1 0 319.412 3.309 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000133035248 432057549 /nfs/dbraw/zinc/05/75/49/432057549.db2.gz PGKIJZMNCQRUSB-MAUKXSAKSA-N 1 0 312.461 3.316 10 0 DGAERO CCN(CC)[C@@H](C[NH2+]Cc1ccc2c[nH]nc2c1)c1ccco1 ZINC000236856329 202038727 /nfs/dbraw/zinc/03/87/27/202038727.db2.gz DDOHVZHLOFQKFK-KRWDZBQOSA-N 1 0 312.417 3.329 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000133237628 432059277 /nfs/dbraw/zinc/05/92/77/432059277.db2.gz XACZOCUEWWPEGA-OAHLLOKOSA-N 1 0 309.454 3.412 10 0 DGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000236992975 202111900 /nfs/dbraw/zinc/11/19/00/202111900.db2.gz BINZYNNKTOWKOV-RNCFNFMXSA-N 1 0 307.394 3.261 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000237010250 202119682 /nfs/dbraw/zinc/11/96/82/202119682.db2.gz FBXMNBFUPMMWPG-MEBBXXQBSA-N 1 0 320.824 3.146 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CCC(=O)c1cccs1 ZINC000237029840 202128995 /nfs/dbraw/zinc/12/89/95/202128995.db2.gz YUFIQXSIVYZUDR-UHFFFAOYSA-N 1 0 316.426 3.459 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000237022896 202126280 /nfs/dbraw/zinc/12/62/80/202126280.db2.gz BINZYNNKTOWKOV-NOZJJQNGSA-N 1 0 307.394 3.261 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1cc(C(C)(C)C)[nH]n1 ZINC000237086450 202148316 /nfs/dbraw/zinc/14/83/16/202148316.db2.gz MTNSYFAECRUNHH-UHFFFAOYSA-N 1 0 300.406 3.069 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000237078693 202143971 /nfs/dbraw/zinc/14/39/71/202143971.db2.gz UQRSYJFKFXDSDK-LLVKDONJSA-N 1 0 312.866 3.031 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)CC1 ZINC000237095744 202152273 /nfs/dbraw/zinc/15/22/73/202152273.db2.gz DIPIQDAJABHROR-HNNXBMFYSA-N 1 0 317.477 3.275 10 0 DGAERO C[NH2+]C1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC1 ZINC000237107212 202156140 /nfs/dbraw/zinc/15/61/40/202156140.db2.gz XJSFLNDVGOYDLT-UHFFFAOYSA-N 1 0 318.436 3.238 10 0 DGAERO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166539208 432062138 /nfs/dbraw/zinc/06/21/38/432062138.db2.gz IBZUPKICJBLBSF-KBPBESRZSA-N 1 0 304.463 3.110 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1cnn(C)c1 ZINC000167463491 432065922 /nfs/dbraw/zinc/06/59/22/432065922.db2.gz DQQFZQBZWKLZQS-XJKSGUPXSA-N 1 0 320.387 3.018 10 0 DGAERO CCC[C@@H](C)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000179675155 432067671 /nfs/dbraw/zinc/06/76/71/432067671.db2.gz XGBZKSDZWTZRKX-OAHLLOKOSA-N 1 0 306.425 3.410 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000567663771 315438873 /nfs/dbraw/zinc/43/88/73/315438873.db2.gz GCISXQCNBKROHK-ZJUUUORDSA-N 1 0 301.217 3.127 10 0 DGAERO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CCN(c2cccs2)CC1 ZINC000168468594 432068992 /nfs/dbraw/zinc/06/89/92/432068992.db2.gz WPWMEGOSLFXLAB-HNNXBMFYSA-N 1 0 316.474 3.118 10 0 DGAERO c1cc([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)n[nH]1 ZINC000179854304 432073102 /nfs/dbraw/zinc/07/31/02/432073102.db2.gz KGVWDWLUVWXBRU-OAHLLOKOSA-N 1 0 307.401 3.179 10 0 DGAERO COCCC[C@@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179455030 199038433 /nfs/dbraw/zinc/03/84/33/199038433.db2.gz CEIRAVYFMBQGTC-CYBMUJFWSA-N 1 0 306.381 3.428 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(-c2ccncc2)n1 ZINC000179623389 199065818 /nfs/dbraw/zinc/06/58/18/199065818.db2.gz YJVGSPNOVWGZDA-AWEZNQCLSA-N 1 0 324.350 3.256 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(F)F)c1 ZINC000179818594 199084047 /nfs/dbraw/zinc/08/40/47/199084047.db2.gz BQRDPGYGOYHSDI-BXUZGUMPSA-N 1 0 309.360 3.325 10 0 DGAERO Cc1ccc(F)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180099407 199116939 /nfs/dbraw/zinc/11/69/39/199116939.db2.gz AJJNUVSQMOHREB-ZWKOTPCHSA-N 1 0 312.388 3.309 10 0 DGAERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000180107482 199117875 /nfs/dbraw/zinc/11/78/75/199117875.db2.gz RKGJOLJBQHOZHY-QFMLELGNSA-N 1 0 314.473 3.339 10 0 DGAERO CC[N@H+](CCC(=O)c1ccc(F)cc1)CCc1nccs1 ZINC000180163980 199125059 /nfs/dbraw/zinc/12/50/59/199125059.db2.gz LUGRTMHUYGFUEV-UHFFFAOYSA-N 1 0 306.406 3.420 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2c(C3CC3)nc3sccn23)CC[N@@H+]1C ZINC000180423142 199157588 /nfs/dbraw/zinc/15/75/88/199157588.db2.gz SXSVARFTDXMOAN-JSGCOSHPSA-N 1 0 318.490 3.188 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@@H]1CCCO1 ZINC000180457004 199160913 /nfs/dbraw/zinc/16/09/13/199160913.db2.gz CPVMLZWOPSBPEJ-DOMZBBRYSA-N 1 0 308.447 3.117 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Cl)sc1Cl ZINC000180488909 199166518 /nfs/dbraw/zinc/16/65/18/199166518.db2.gz PYRCDSMXZFMESB-RKDXNWHRSA-N 1 0 309.262 3.036 10 0 DGAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Cl)sc1Cl ZINC000180586646 199180746 /nfs/dbraw/zinc/18/07/46/199180746.db2.gz LKEWRFKHXLBQPM-YUMQZZPRSA-N 1 0 317.245 3.312 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(Cl)c1Cl ZINC000180599650 199182200 /nfs/dbraw/zinc/18/22/00/199182200.db2.gz UEFNCLSFSLEYEH-ZJUUUORDSA-N 1 0 311.216 3.251 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000179956404 432075885 /nfs/dbraw/zinc/07/58/85/432075885.db2.gz DKUKIJHLWHJIGX-INIZCTEOSA-N 1 0 312.461 3.240 10 0 DGAERO C[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CCOCC1 ZINC000179995389 432076749 /nfs/dbraw/zinc/07/67/49/432076749.db2.gz AVKRHFQKDFFDCT-GUYCJALGSA-N 1 0 308.853 3.101 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccccc1F ZINC000180903010 199225654 /nfs/dbraw/zinc/22/56/54/199225654.db2.gz QKEMFQZMRKOMRE-RHSMWYFYSA-N 1 0 314.408 3.325 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1 ZINC000180041902 432076986 /nfs/dbraw/zinc/07/69/86/432076986.db2.gz ANHAELONCWJAGA-RXVVDRJESA-N 1 0 324.468 3.395 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000180041876 432077236 /nfs/dbraw/zinc/07/72/36/432077236.db2.gz ANHAELONCWJAGA-NQIIRXRSSA-N 1 0 324.468 3.395 10 0 DGAERO CCC[C@@H]1C[C@@H](C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000180111728 432077986 /nfs/dbraw/zinc/07/79/86/432077986.db2.gz OVLVSMLKHJFKDU-OKZBNKHCSA-N 1 0 322.493 3.059 10 0 DGAERO Cc1nnc([C@H]2CN(Cc3ccc(C(C)(C)C)s3)CCO2)[nH]1 ZINC000180114086 432078343 /nfs/dbraw/zinc/07/83/43/432078343.db2.gz MWUOEGMYTCMFAY-CYBMUJFWSA-N 1 0 320.462 3.046 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc2nccn21 ZINC000180135994 432079403 /nfs/dbraw/zinc/07/94/03/432079403.db2.gz PDOSCKHSILURDX-MRXNPFEDSA-N 1 0 309.417 3.022 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000185559186 199865857 /nfs/dbraw/zinc/86/58/57/199865857.db2.gz GTJUJLIILXRRCO-OAHLLOKOSA-N 1 0 303.450 3.096 10 0 DGAERO CS[C@H]1CCCC[N@H+](Cc2nc3oc(C)c(C)c3c(N)n2)C1 ZINC000134591486 432080539 /nfs/dbraw/zinc/08/05/39/432080539.db2.gz LDACNGJLKOIUTJ-LBPRGKRZSA-N 1 0 320.462 3.139 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(O)c2)C12CCOCC2 ZINC000186321944 199943309 /nfs/dbraw/zinc/94/33/09/199943309.db2.gz YOUBMGXJCYEZAR-RRQGHBQHSA-N 1 0 305.418 3.017 10 0 DGAERO CC[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000170827803 432083036 /nfs/dbraw/zinc/08/30/36/432083036.db2.gz IFZJXIBSIFXSBJ-LSDHHAIUSA-N 1 0 309.841 3.137 10 0 DGAERO CCCn1cc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)cn1 ZINC000180283496 432083042 /nfs/dbraw/zinc/08/30/42/432083042.db2.gz UBMCLRPPJGPZDI-PEBXRYMYSA-N 1 0 319.474 3.224 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000186835388 200019293 /nfs/dbraw/zinc/01/92/93/200019293.db2.gz SXXRLWUQYWESFY-DNVCBOLYSA-N 1 0 308.425 3.010 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CCN1C ZINC000186830683 200018482 /nfs/dbraw/zinc/01/84/82/200018482.db2.gz FVRMYQRMFFCRSK-WMLDXEAASA-N 1 0 318.461 3.246 10 0 DGAERO COc1cc(C)c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000186758306 200004755 /nfs/dbraw/zinc/00/47/55/200004755.db2.gz VGABQSZBTNLNBN-CHWSQXEVSA-N 1 0 323.412 3.089 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000186771390 200006829 /nfs/dbraw/zinc/00/68/29/200006829.db2.gz WSZWNBPYQOTNKD-BBRMVZONSA-N 1 0 320.864 3.266 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ncc(Br)cc1F ZINC000186994733 200043976 /nfs/dbraw/zinc/04/39/76/200043976.db2.gz XGXRLFMQASLZRI-AUTRQRHGSA-N 1 0 317.202 3.201 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187041687 200051908 /nfs/dbraw/zinc/05/19/08/200051908.db2.gz JVCJYISYXTTYFY-WFASDCNBSA-N 1 0 324.494 3.028 10 0 DGAERO COc1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)ccc1F ZINC000187070462 200056644 /nfs/dbraw/zinc/05/66/44/200056644.db2.gz AQJRVTLNQOUNLD-UHFFFAOYSA-N 1 0 323.412 3.076 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+]C[C@H](C)Cc1ccccc1)CC2 ZINC000187281078 200088201 /nfs/dbraw/zinc/08/82/01/200088201.db2.gz JJKVNZWKFRBJIW-NVXWUHKLSA-N 1 0 312.461 3.185 10 0 DGAERO CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000187816519 200160450 /nfs/dbraw/zinc/16/04/50/200160450.db2.gz UWYLHCIVLNBKGV-OCCSQVGLSA-N 1 0 324.852 3.213 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC[C@H]2c3ccccc3NC2=O)cc1 ZINC000180398942 432085152 /nfs/dbraw/zinc/08/51/52/432085152.db2.gz GRRJFBDATZSQTN-GUYCJALGSA-N 1 0 310.397 3.472 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2coc(-c3cccs3)n2)C1 ZINC000187948410 200181323 /nfs/dbraw/zinc/18/13/23/200181323.db2.gz PEVDKBMPHCQSTJ-LRDDRELGSA-N 1 0 306.431 3.386 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000188091644 200191983 /nfs/dbraw/zinc/19/19/83/200191983.db2.gz FHRCAWHCROMCAG-DZGCQCFKSA-N 1 0 307.401 3.383 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000188091671 200192077 /nfs/dbraw/zinc/19/20/77/200192077.db2.gz FHRCAWHCROMCAG-ZFWWWQNUSA-N 1 0 307.401 3.383 10 0 DGAERO Cc1ncc([C@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)s1 ZINC000180401403 432085541 /nfs/dbraw/zinc/08/55/41/432085541.db2.gz RUGVLVMTECNZCG-GWCFXTLKSA-N 1 0 301.415 3.228 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+]CC[C@@H]1c2ccccc2NC1=O ZINC000180382300 432085527 /nfs/dbraw/zinc/08/55/27/432085527.db2.gz RSCXLMCRLMWTLS-XJKSGUPXSA-N 1 0 310.397 3.472 10 0 DGAERO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000237627445 202310659 /nfs/dbraw/zinc/31/06/59/202310659.db2.gz GPXLJGZBXJZANH-CZUORRHYSA-N 1 0 320.502 3.256 10 0 DGAERO CC[N@@H+]1CCC[C@@H](Nc2cc(-c3nc(C(C)C)no3)ccn2)C1 ZINC000180422146 432085817 /nfs/dbraw/zinc/08/58/17/432085817.db2.gz ZCYKAXWTPBVGOA-CQSZACIVSA-N 1 0 315.421 3.151 10 0 DGAERO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000281133592 216100632 /nfs/dbraw/zinc/10/06/32/216100632.db2.gz DERKUSCKVVSSCV-SMDDFHAHSA-N 1 0 321.408 3.335 10 0 DGAERO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000281133590 216101706 /nfs/dbraw/zinc/10/17/06/216101706.db2.gz DERKUSCKVVSSCV-JWCBKOKGSA-N 1 0 321.408 3.335 10 0 DGAERO COCc1ccsc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000180418381 432086646 /nfs/dbraw/zinc/08/66/46/432086646.db2.gz HIXNDMZXBIQHCX-OAHLLOKOSA-N 1 0 324.490 3.135 10 0 DGAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188727039 200296252 /nfs/dbraw/zinc/29/62/52/200296252.db2.gz INHBEYRSLVWZFY-RTBURBONSA-N 1 0 306.409 3.018 10 0 DGAERO CC(C)[NH+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C(C)C ZINC000180454121 432087326 /nfs/dbraw/zinc/08/73/26/432087326.db2.gz KJGKSSOLZORHOE-UHFFFAOYSA-N 1 0 305.447 3.092 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000188949858 200326389 /nfs/dbraw/zinc/32/63/89/200326389.db2.gz BZWAZUQTKCWIMA-INIZCTEOSA-N 1 0 323.868 3.311 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180505850 432087946 /nfs/dbraw/zinc/08/79/46/432087946.db2.gz DYJYSASMLLYEMT-DGCLKSJQSA-N 1 0 319.478 3.140 10 0 DGAERO COCc1ccsc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000180507481 432088661 /nfs/dbraw/zinc/08/86/61/432088661.db2.gz IRBGVBLNFAODAJ-CQSZACIVSA-N 1 0 324.490 3.279 10 0 DGAERO Cc1cc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c(C)s1 ZINC000170939145 432088694 /nfs/dbraw/zinc/08/86/94/432088694.db2.gz SSICQLJDMJGSKL-UHFFFAOYSA-N 1 0 316.474 3.176 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)CC2 ZINC000180534145 432089120 /nfs/dbraw/zinc/08/91/20/432089120.db2.gz UESZSGWDMWJTRP-SJLPKXTDSA-N 1 0 310.445 3.457 10 0 DGAERO C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000190022625 200476323 /nfs/dbraw/zinc/47/63/23/200476323.db2.gz GTBMNLQFYFRLAW-CRAIPNDOSA-N 1 0 316.445 3.079 10 0 DGAERO CCCN(CCC[NH+](C)C)c1cc(C)nc(-c2cccnc2)n1 ZINC000190398713 200529244 /nfs/dbraw/zinc/52/92/44/200529244.db2.gz KIVDUXZECLITHD-UHFFFAOYSA-N 1 0 313.449 3.015 10 0 DGAERO c1c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)[nH]nc1-c1ccccc1 ZINC000430152301 238068907 /nfs/dbraw/zinc/06/89/07/238068907.db2.gz WIHJKGAVBGQWFM-KRWDZBQOSA-N 1 0 311.429 3.325 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCOC[C@H](C4CCC4)C3)c2)cn1 ZINC000430119580 238067734 /nfs/dbraw/zinc/06/77/34/238067734.db2.gz DOQSINULDFKFSW-OAHLLOKOSA-N 1 0 317.458 3.182 10 0 DGAERO CSCCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000134947865 432092573 /nfs/dbraw/zinc/09/25/73/432092573.db2.gz GFUVKQIAMLLKFT-CVEARBPZSA-N 1 0 312.523 3.243 10 0 DGAERO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C1(C)C ZINC000435133160 238278024 /nfs/dbraw/zinc/27/80/24/238278024.db2.gz PLUIENTUBKNIBV-NVXWUHKLSA-N 1 0 303.406 3.305 10 0 DGAERO c1[nH]nc2cc(CNC[C@H]3CCC[N@@H+]3C3CCCCC3)ccc12 ZINC000435744067 238345448 /nfs/dbraw/zinc/34/54/48/238345448.db2.gz CPSOMFDMUOLIDE-GOSISDBHSA-N 1 0 312.461 3.450 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000192127814 200824836 /nfs/dbraw/zinc/82/48/36/200824836.db2.gz AMONHIGUOKOMBC-CABZTGNLSA-N 1 0 305.752 3.456 10 0 DGAERO CC(C)COC1CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000054324939 283613901 /nfs/dbraw/zinc/61/39/01/283613901.db2.gz UEOQGKFHJFDYOG-INIZCTEOSA-N 1 0 312.498 3.157 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)c1ccnn1C ZINC000192248421 200841758 /nfs/dbraw/zinc/84/17/58/200841758.db2.gz INXROQDVKKTMDI-NWDGAFQWSA-N 1 0 322.250 3.464 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000193193691 201005764 /nfs/dbraw/zinc/00/57/64/201005764.db2.gz KVOFQQIGNJNJMT-SFYZADRCSA-N 1 0 307.196 3.437 10 0 DGAERO COc1cccc([C@H]([NH2+][C@H](C)CO)c2ccccc2Cl)c1 ZINC000180651854 432095953 /nfs/dbraw/zinc/09/59/53/432095953.db2.gz NVRLJWZFQKMJBI-PXAZEXFGSA-N 1 0 305.805 3.408 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCCN(C(=O)C2CC2)CC1 ZINC000275789729 212536752 /nfs/dbraw/zinc/53/67/52/212536752.db2.gz IYCXVSVOIFMNAE-UHFFFAOYSA-N 1 0 323.440 3.300 10 0 DGAERO C[C@H]([NH3+])CCC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000193270121 201016620 /nfs/dbraw/zinc/01/66/20/201016620.db2.gz XGNQFLCSKSORGJ-QFBILLFUSA-N 1 0 310.441 3.257 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000193217226 201008914 /nfs/dbraw/zinc/00/89/14/201008914.db2.gz OJEYIYGQGKLEHW-CYBMUJFWSA-N 1 0 308.853 3.395 10 0 DGAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000193564060 201074673 /nfs/dbraw/zinc/07/46/73/201074673.db2.gz YKLSABZQQZZLEK-BEFAXECRSA-N 1 0 324.424 3.136 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1Cl ZINC000193582873 201080712 /nfs/dbraw/zinc/08/07/12/201080712.db2.gz SEVGQTJUBDBSPX-OAHLLOKOSA-N 1 0 304.825 3.152 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C)cc2C)o1 ZINC000193601515 201083237 /nfs/dbraw/zinc/08/32/37/201083237.db2.gz OFDPMSZHHUZVGF-HZPDHXFCSA-N 1 0 303.402 3.295 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(Cl)s1 ZINC000193714572 201109958 /nfs/dbraw/zinc/10/99/58/201109958.db2.gz ZGPNJEGQFCVHHQ-VXGBXAGGSA-N 1 0 312.866 3.029 10 0 DGAERO Cc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1Cl ZINC000193732644 201113493 /nfs/dbraw/zinc/11/34/93/201113493.db2.gz SIMCGNPYXAUBIQ-UHFFFAOYSA-N 1 0 308.853 3.385 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000281493529 216339285 /nfs/dbraw/zinc/33/92/85/216339285.db2.gz QQLVJQDIGYNQFN-SKDRFNHKSA-N 1 0 302.187 3.103 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)CC2 ZINC000194338536 201206694 /nfs/dbraw/zinc/20/66/94/201206694.db2.gz MAFXACSYNAAAMX-RDJZCZTQSA-N 1 0 312.461 3.500 10 0 DGAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1ccc2ccccc2c1 ZINC000194184295 201192135 /nfs/dbraw/zinc/19/21/35/201192135.db2.gz GSIAACSUSAPJJE-UHFFFAOYSA-N 1 0 304.393 3.441 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c(F)c2)C1 ZINC000246137586 432098113 /nfs/dbraw/zinc/09/81/13/432098113.db2.gz ASCFIXLMGKUETI-HUUCEWRRSA-N 1 0 321.440 3.178 10 0 DGAERO COC[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000246126276 432098388 /nfs/dbraw/zinc/09/83/88/432098388.db2.gz LTVPESMWGZMMRD-HUUCEWRRSA-N 1 0 304.434 3.140 10 0 DGAERO CC(C)(C)C1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000194762005 201283914 /nfs/dbraw/zinc/28/39/14/201283914.db2.gz GOEOXICCZGPTKB-UHFFFAOYSA-N 1 0 321.440 3.495 10 0 DGAERO c1ccc2c(c1)CCC[C@H]2[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000441815082 239073125 /nfs/dbraw/zinc/07/31/25/239073125.db2.gz QAFIOPOQCZMNQF-UYAOXDASSA-N 1 0 314.473 3.251 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)C1 ZINC000442641059 239104459 /nfs/dbraw/zinc/10/44/59/239104459.db2.gz CAXGNZNDKHOOSZ-UONOGXRCSA-N 1 0 320.392 3.065 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1Cl ZINC000195440248 201389328 /nfs/dbraw/zinc/38/93/28/201389328.db2.gz YHNQJBAHCJAJBK-CQSZACIVSA-N 1 0 318.852 3.468 10 0 DGAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000195299511 201375535 /nfs/dbraw/zinc/37/55/35/201375535.db2.gz MCLAMEAKUDSNCJ-LJQANCHMSA-N 1 0 301.478 3.416 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(C)(C)c3ccccc3)[C@H]2C1 ZINC000180779383 432100083 /nfs/dbraw/zinc/10/00/83/432100083.db2.gz RPSVJHADYMABRD-FGTMMUONSA-N 1 0 303.446 3.233 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cn1 ZINC000090880027 192940420 /nfs/dbraw/zinc/94/04/20/192940420.db2.gz SGHZPHLQPHQGBQ-CABCVRRESA-N 1 0 324.432 3.457 10 0 DGAERO O=C(C[N@@H+]1CCCC12CCC2)Nc1ccc(Br)cc1 ZINC000444793153 239359240 /nfs/dbraw/zinc/35/92/40/239359240.db2.gz RCOFRSYFISNIOL-UHFFFAOYSA-N 1 0 323.234 3.406 10 0 DGAERO CCc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245957883 202556641 /nfs/dbraw/zinc/55/66/41/202556641.db2.gz CHVNLLKUDQTKRB-PBHICJAKSA-N 1 0 303.450 3.443 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718828 283758632 /nfs/dbraw/zinc/75/86/32/283758632.db2.gz BCEISUCHFASNSZ-LSDHHAIUSA-N 1 0 320.481 3.236 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000073503262 283775250 /nfs/dbraw/zinc/77/52/50/283775250.db2.gz WXJMXPRKIFMORU-CQSZACIVSA-N 1 0 307.438 3.070 10 0 DGAERO CC(C)(C)C1CCC(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000248597484 202749166 /nfs/dbraw/zinc/74/91/66/202749166.db2.gz IKDMZTWFTVDBLN-SSNHOHEISA-N 1 0 306.494 3.425 10 0 DGAERO Cn1cncc1[C@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)CCO1 ZINC000275470377 212353869 /nfs/dbraw/zinc/35/38/69/212353869.db2.gz HQFKMVYRBSYRHS-TYZWSJGGSA-N 1 0 315.392 3.082 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CC[C@H](C)C2)cc(Br)c1O ZINC000135172393 432104188 /nfs/dbraw/zinc/10/41/88/432104188.db2.gz RECZYCXODYVORO-GXSJLCMTSA-N 1 0 314.223 3.442 10 0 DGAERO Cc1cc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)ccc1Cl ZINC000449237401 240083507 /nfs/dbraw/zinc/08/35/07/240083507.db2.gz NXNZFNQZPXFFGX-UHFFFAOYSA-N 1 0 323.845 3.342 10 0 DGAERO c1ccc([C@H]([NH2+][C@H]2CCOC3(CCC3)C2)[C@H]2CCOC2)cc1 ZINC000449201869 240066966 /nfs/dbraw/zinc/06/69/66/240066966.db2.gz HPNQURZDXOIILR-BZSNNMDCSA-N 1 0 301.430 3.456 10 0 DGAERO c1c2cccnc2oc1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449295287 240115697 /nfs/dbraw/zinc/11/56/97/240115697.db2.gz RFLOQKGWKXVWAP-QGZVFWFLSA-N 1 0 321.424 3.440 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]CC[C@@H]3CCc4ccccc43)cc2)n1 ZINC000449375531 240164501 /nfs/dbraw/zinc/16/45/01/240164501.db2.gz ITZOQYZLWMQQFU-SFHVURJKSA-N 1 0 318.424 3.477 10 0 DGAERO c1nc(CCc2ccccc2)sc1C[NH2+]CC1=CCOCC1 ZINC000449401055 240177621 /nfs/dbraw/zinc/17/76/21/240177621.db2.gz FFYNLSONYPDNHU-UHFFFAOYSA-N 1 0 314.454 3.365 10 0 DGAERO CCO[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@@H]1C ZINC000449492279 240244645 /nfs/dbraw/zinc/24/46/45/240244645.db2.gz IWKMCMDAPARKKJ-XJKSGUPXSA-N 1 0 317.458 3.452 10 0 DGAERO COc1ccc(OC)c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000449471981 240227330 /nfs/dbraw/zinc/22/73/30/240227330.db2.gz DSDIKTKNMUQAOY-AWEZNQCLSA-N 1 0 305.418 3.143 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)n(-c2ccccc2)n1 ZINC000449478715 240234266 /nfs/dbraw/zinc/23/42/66/240234266.db2.gz KTDJZESZAXBIAN-INIZCTEOSA-N 1 0 311.429 3.311 10 0 DGAERO C[C@H]([N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1)C1(C)CC1 ZINC000246193529 432105800 /nfs/dbraw/zinc/10/58/00/432105800.db2.gz VXLOUHHBRZCDNS-XJKSGUPXSA-N 1 0 311.853 3.338 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000449695465 240373995 /nfs/dbraw/zinc/37/39/95/240373995.db2.gz FDBBSFYDPMLLLK-RDTXWAMCSA-N 1 0 311.429 3.162 10 0 DGAERO CC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1nccs1 ZINC000189930868 432106568 /nfs/dbraw/zinc/10/65/68/432106568.db2.gz VFSPXRGXNMKXQM-QMMMGPOBSA-N 1 0 318.311 3.398 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](C)c1nc2ccccc2n1C ZINC000091403659 193052499 /nfs/dbraw/zinc/05/24/99/193052499.db2.gz QGAUKVUZOHUVCD-HZPDHXFCSA-N 1 0 314.477 3.344 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000246205399 432106849 /nfs/dbraw/zinc/10/68/49/432106849.db2.gz JQIFQLDIOZRESC-KEYYUXOJSA-N 1 0 321.440 3.177 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000091667356 193088060 /nfs/dbraw/zinc/08/80/60/193088060.db2.gz KIVBNVUINCXBAB-IUODEOHRSA-N 1 0 317.260 3.365 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(F)c(Cl)cc1Cl ZINC000091666978 193088296 /nfs/dbraw/zinc/08/82/96/193088296.db2.gz QNNWFXJDDNBSDV-NXEZZACHSA-N 1 0 321.223 3.114 10 0 DGAERO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)n1 ZINC000091685480 193091714 /nfs/dbraw/zinc/09/17/14/193091714.db2.gz KQQQWYMWYIPKSB-IRXDYDNUSA-N 1 0 313.445 3.397 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1nccs1 ZINC000091736254 193098971 /nfs/dbraw/zinc/09/89/71/193098971.db2.gz WMTRVTUMEGMZCS-QWRGUYRKSA-N 1 0 308.838 3.121 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cccc(Cl)c1Cl ZINC000282469746 299357990 /nfs/dbraw/zinc/35/79/90/299357990.db2.gz WFUZPWAMQUKOHB-YGOYTEALSA-N 1 0 301.217 3.311 10 0 DGAERO C[C@H](O)CCC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000450698444 240823369 /nfs/dbraw/zinc/82/33/69/240823369.db2.gz BGDGPQOUJIGPBA-NSHDSACASA-N 1 0 320.355 3.008 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000079253992 283876703 /nfs/dbraw/zinc/87/67/03/283876703.db2.gz LSXCODZLXINLCL-INIZCTEOSA-N 1 0 305.466 3.257 10 0 DGAERO CC1(C)[C@@H]([NH2+]CCCN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000181007021 432109663 /nfs/dbraw/zinc/10/96/63/432109663.db2.gz YEXFEQOSCFHPAX-IRXDYDNUSA-N 1 0 300.446 3.171 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000171178212 432109681 /nfs/dbraw/zinc/10/96/81/432109681.db2.gz AZEFUQPDHRJEMH-UONOGXRCSA-N 1 0 307.438 3.246 10 0 DGAERO O=C([C@H](c1ccccc1)C1CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000134146503 296090443 /nfs/dbraw/zinc/09/04/43/296090443.db2.gz PBYUGGCVBCICPD-LJQANCHMSA-N 1 0 312.457 3.267 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000171178404 432110037 /nfs/dbraw/zinc/11/00/37/432110037.db2.gz NMFNHAUGELVYBI-AWEZNQCLSA-N 1 0 319.449 3.388 10 0 DGAERO COCc1cccc(C[N@H+]2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)c1 ZINC000246229002 432110249 /nfs/dbraw/zinc/11/02/49/432110249.db2.gz QZNHZKUCGDIESZ-SQNIBIBYSA-N 1 0 317.429 3.139 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246235544 432110651 /nfs/dbraw/zinc/11/06/51/432110651.db2.gz HWNPFVXYDLBOLR-XUVXKRRUSA-N 1 0 320.436 3.250 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)CCOCC1 ZINC000453108780 241629519 /nfs/dbraw/zinc/62/95/19/241629519.db2.gz LSYWAEXBVMVRAH-HRCADAONSA-N 1 0 313.482 3.001 10 0 DGAERO C[N@H+](CCCn1ccnc1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000181060460 432111736 /nfs/dbraw/zinc/11/17/36/432111736.db2.gz FWSXEQVAIGDEDB-UHFFFAOYSA-N 1 0 314.364 3.199 10 0 DGAERO CC(C)(CNC(=O)c1scnc1C1CC1)[NH+]1CCCCC1 ZINC000089589708 283952554 /nfs/dbraw/zinc/95/25/54/283952554.db2.gz LNZFSZXTPCKBGU-UHFFFAOYSA-N 1 0 307.463 3.015 10 0 DGAERO O=C(NCCC[NH+]1CCCCCC1)c1scnc1C1CC1 ZINC000089593459 283953341 /nfs/dbraw/zinc/95/33/41/283953341.db2.gz JAXHTVUBBZTNBU-UHFFFAOYSA-N 1 0 307.463 3.016 10 0 DGAERO COc1cc(C)cc(NC(=O)NCCCC[N@H+](C)C2CC2)c1C ZINC000455287373 242157605 /nfs/dbraw/zinc/15/76/05/242157605.db2.gz ZESRXHCHLLNAAE-UHFFFAOYSA-N 1 0 319.449 3.308 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C1CCCCC1 ZINC000089732475 283960902 /nfs/dbraw/zinc/96/09/02/283960902.db2.gz WPFIUSNTVQHPHA-IAGOWNOFSA-N 1 0 302.466 3.394 10 0 DGAERO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC ZINC000190016414 432112586 /nfs/dbraw/zinc/11/25/86/432112586.db2.gz LKWTTYXHVGTQCM-GDBMZVCRSA-N 1 0 322.474 3.288 10 0 DGAERO Cc1nocc1CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000293101454 223396921 /nfs/dbraw/zinc/39/69/21/223396921.db2.gz XTMFNNLIDHFVML-SFHVURJKSA-N 1 0 313.445 3.375 10 0 DGAERO C[C@@H](CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1F ZINC000171206458 432113621 /nfs/dbraw/zinc/11/36/21/432113621.db2.gz YFQKMPBXGFDYHS-LSDHHAIUSA-N 1 0 304.409 3.016 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000246258416 432113675 /nfs/dbraw/zinc/11/36/75/432113675.db2.gz KPQROIDXCYSKTO-FVQBIDKESA-N 1 0 306.837 3.425 10 0 DGAERO C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000456168163 242367600 /nfs/dbraw/zinc/36/76/00/242367600.db2.gz KZLFUTDTUZDNAP-DZGCQCFKSA-N 1 0 324.415 3.305 10 0 DGAERO CCSCc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000455848886 242296455 /nfs/dbraw/zinc/29/64/55/242296455.db2.gz AHGUORZLBKGCSC-HNNXBMFYSA-N 1 0 321.490 3.403 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(Cl)c2F)C1 ZINC000246286519 432114609 /nfs/dbraw/zinc/11/46/09/432114609.db2.gz CBEQGSMYFFEBDL-ZWNOBZJWSA-N 1 0 313.804 3.329 10 0 DGAERO COc1cccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1F ZINC000090191416 283984470 /nfs/dbraw/zinc/98/44/70/283984470.db2.gz GETRNAWSMASHIB-HNNXBMFYSA-N 1 0 322.424 3.075 10 0 DGAERO COc1ccc(F)cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000092106499 193160859 /nfs/dbraw/zinc/16/08/59/193160859.db2.gz VBGQHEPBIUBHOT-UHFFFAOYSA-N 1 0 323.412 3.076 10 0 DGAERO C[C@@H]([NH2+]CCCCC1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091349395 284000436 /nfs/dbraw/zinc/00/04/36/284000436.db2.gz OVEZWCBRKHNFPX-CQSZACIVSA-N 1 0 324.490 3.345 10 0 DGAERO CCN1CC[C@H]([NH2+][C@@H](C)COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091414121 284001064 /nfs/dbraw/zinc/00/10/64/284001064.db2.gz LDDFIZXFXQIIPG-UVBJJODRSA-N 1 0 314.832 3.239 10 0 DGAERO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C)n2)s1 ZINC000092740078 284008132 /nfs/dbraw/zinc/00/81/32/284008132.db2.gz UHMNOKHIJBNCRT-GFCCVEGCSA-N 1 0 305.447 3.195 10 0 DGAERO c1cnn(-c2cccc(CN3CCCC[C@@H]([NH+]4CCCC4)C3)c2)c1 ZINC000092785528 284008273 /nfs/dbraw/zinc/00/82/73/284008273.db2.gz AZRYFQMNXXVDGN-HXUWFJFHSA-N 1 0 324.472 3.323 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093742110 284014079 /nfs/dbraw/zinc/01/40/79/284014079.db2.gz RPXGBUBPVKYNGL-QGZVFWFLSA-N 1 0 304.478 3.476 10 0 DGAERO O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261907144 284025358 /nfs/dbraw/zinc/02/53/58/284025358.db2.gz FWHXMFIBFJOLEJ-OKZBNKHCSA-N 1 0 312.457 3.219 10 0 DGAERO COC(=O)c1ccccc1C[NH+]1CCC(OCC(C)C)CC1 ZINC000092222955 193176694 /nfs/dbraw/zinc/17/66/94/193176694.db2.gz NIRYGIITIBWJEQ-UHFFFAOYSA-N 1 0 305.418 3.110 10 0 DGAERO O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261704022 284034053 /nfs/dbraw/zinc/03/40/53/284034053.db2.gz OMUSLZISZIBPMX-BJJPWKGXSA-N 1 0 318.383 3.144 10 0 DGAERO CCC[C@@H](NC(=O)NCCC1CC[NH+](CC)CC1)C1CCC1 ZINC000458470054 243067456 /nfs/dbraw/zinc/06/74/56/243067456.db2.gz VSZOKWQFNRVRGE-QGZVFWFLSA-N 1 0 309.498 3.376 10 0 DGAERO CC[NH+](CC)[C@@H](C(=O)NCc1cccc(C)n1)c1ccccc1 ZINC000104856249 284037689 /nfs/dbraw/zinc/03/76/89/284037689.db2.gz AJCOZLORBFAUKM-GOSISDBHSA-N 1 0 311.429 3.089 10 0 DGAERO CCC[C@H](NC(=O)NCCC1CC[NH+](CC)CC1)C1CCC1 ZINC000458470053 243068380 /nfs/dbraw/zinc/06/83/80/243068380.db2.gz VSZOKWQFNRVRGE-KRWDZBQOSA-N 1 0 309.498 3.376 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCc3cccc(C)c3)[C@H]2C1 ZINC000181191952 432117374 /nfs/dbraw/zinc/11/73/74/432117374.db2.gz QSAFRUPXEJVFNM-CEXWTWQISA-N 1 0 303.446 3.196 10 0 DGAERO CCC[NH+]1CCC(N(C)C(=O)NCC2CCCCCC2)CC1 ZINC000459008407 243226155 /nfs/dbraw/zinc/22/61/55/243226155.db2.gz IEYMNVYCDJMAFG-UHFFFAOYSA-N 1 0 309.498 3.473 10 0 DGAERO O=C(NCC1CCCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000459035597 243232093 /nfs/dbraw/zinc/23/20/93/243232093.db2.gz WLPXYECMRFBRNF-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000108343595 284059724 /nfs/dbraw/zinc/05/97/24/284059724.db2.gz HNOXFGDKJNILHM-CYBMUJFWSA-N 1 0 316.376 3.157 10 0 DGAERO Cc1cc(C)c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)c1 ZINC000246318393 432117876 /nfs/dbraw/zinc/11/78/76/432117876.db2.gz AIDQSYUBGQOEMF-CVEARBPZSA-N 1 0 301.434 3.312 10 0 DGAERO Cn1cccc1[C@H]1CCCCN1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459361605 243348706 /nfs/dbraw/zinc/34/87/06/243348706.db2.gz PKUWTFQZVWDEQR-MRXNPFEDSA-N 1 0 312.417 3.125 10 0 DGAERO CC[N@H+](CC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1)C1CC1 ZINC000246313273 432117769 /nfs/dbraw/zinc/11/77/69/432117769.db2.gz QXZXSLHSCUVJHC-UGSOOPFHSA-N 1 0 304.409 3.220 10 0 DGAERO O[C@H]1[C@H](C[NH2+]CCc2ccc(Cl)cc2)CCC12CCOCC2 ZINC000459551130 243410488 /nfs/dbraw/zinc/41/04/88/243410488.db2.gz ZQYGEMZCQDXCHF-RDJZCZTQSA-N 1 0 323.864 3.040 10 0 DGAERO COCC[N@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000111192771 284076301 /nfs/dbraw/zinc/07/63/01/284076301.db2.gz SXFVCLOBSZOYAK-UHFFFAOYSA-N 1 0 322.408 3.177 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000111748778 284081504 /nfs/dbraw/zinc/08/15/04/284081504.db2.gz FRHZBHUYWHGJSQ-CQSZACIVSA-N 1 0 319.449 3.388 10 0 DGAERO CCOc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1C ZINC000113414500 284102343 /nfs/dbraw/zinc/10/23/43/284102343.db2.gz DTVMEWSXLPCKRT-UHFFFAOYSA-N 1 0 318.461 3.433 10 0 DGAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1cccc(Cl)c1 ZINC000113579541 284103202 /nfs/dbraw/zinc/10/32/02/284103202.db2.gz PQCZEBIDJVFWHB-DVOMOZLQSA-N 1 0 321.852 3.279 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(CC)CCCC2)[C@H](C)C1 ZINC000246309354 432118884 /nfs/dbraw/zinc/11/88/84/432118884.db2.gz BAXZTDGIAFUFCZ-HZPDHXFCSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000246333679 432119456 /nfs/dbraw/zinc/11/94/56/432119456.db2.gz BOZYHQSNMVKLER-PWSUYJOCSA-N 1 0 311.788 3.180 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000469901298 244132991 /nfs/dbraw/zinc/13/29/91/244132991.db2.gz ZHENWDBTLVQRMH-SFHVURJKSA-N 1 0 302.462 3.343 10 0 DGAERO COC(=O)c1ccccc1CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470942423 244196777 /nfs/dbraw/zinc/19/67/77/244196777.db2.gz ALWGXGWTXIFJBP-BXUZGUMPSA-N 1 0 315.335 3.288 10 0 DGAERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)NCC1CCCCC1 ZINC000470957002 244198846 /nfs/dbraw/zinc/19/88/46/244198846.db2.gz VDXMGKCYVAKKIO-OCCSQVGLSA-N 1 0 320.399 3.346 10 0 DGAERO COCc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000093104459 193204012 /nfs/dbraw/zinc/20/40/12/193204012.db2.gz HGWVTPBKVIETFK-IBGZPJMESA-N 1 0 324.424 3.070 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000471827366 244254367 /nfs/dbraw/zinc/25/43/67/244254367.db2.gz QDTVBCVDFKVWOX-JKSUJKDBSA-N 1 0 305.418 3.299 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CC[C@H](OC)C2)cc1OCC(C)C ZINC000471820571 244255251 /nfs/dbraw/zinc/25/52/51/244255251.db2.gz NJDYHVIMFZATGE-HOTGVXAUSA-N 1 0 307.434 3.387 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000471826260 244255549 /nfs/dbraw/zinc/25/55/49/244255549.db2.gz XQDILMGKNOCVNN-QZTJIDSGSA-N 1 0 312.413 3.318 10 0 DGAERO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1C[C@@H]1C ZINC000471604711 244222066 /nfs/dbraw/zinc/22/20/66/244222066.db2.gz KEPZINICXRVNBR-ZNMIVQPWSA-N 1 0 314.429 3.087 10 0 DGAERO CCC[N@@H+](Cc1ccc(OCCOC)cc1)C[C@@H]1CCCCO1 ZINC000093132494 193205410 /nfs/dbraw/zinc/20/54/10/193205410.db2.gz HXIKPTRIUXQANV-IBGZPJMESA-N 1 0 321.461 3.493 10 0 DGAERO CCC[N@@H+](Cc1ccc(OCCOC)cc1)C[C@H]1CCCCO1 ZINC000093132495 193205700 /nfs/dbraw/zinc/20/57/00/193205700.db2.gz HXIKPTRIUXQANV-LJQANCHMSA-N 1 0 321.461 3.493 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000262157811 203215379 /nfs/dbraw/zinc/21/53/79/203215379.db2.gz UBNPNHAGNLZFKS-UKRRQHHQSA-N 1 0 316.367 3.184 10 0 DGAERO O=C(CCCc1ccc(F)c(F)c1)NCC[NH+]1CCCCCC1 ZINC000119105707 284134825 /nfs/dbraw/zinc/13/48/25/284134825.db2.gz FJWDLFOWODWWIQ-UHFFFAOYSA-N 1 0 324.415 3.280 10 0 DGAERO CC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@@H]1c1ccccc1 ZINC000472234962 244292145 /nfs/dbraw/zinc/29/21/45/244292145.db2.gz ZIMAFSOMSYHDIW-MJGOQNOKSA-N 1 0 314.473 3.371 10 0 DGAERO C[C@H]1C[C@@H](C(=O)Nc2cc(Cc3ccccc3)ccc2O)CC[NH2+]1 ZINC000262333860 203266308 /nfs/dbraw/zinc/26/63/08/203266308.db2.gz FVFIRJBRSKEPQF-YOEHRIQHSA-N 1 0 324.424 3.310 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000474265653 244382866 /nfs/dbraw/zinc/38/28/66/244382866.db2.gz LDBYBJRFSCZICW-QZTJIDSGSA-N 1 0 302.462 3.417 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246331962 432120378 /nfs/dbraw/zinc/12/03/78/432120378.db2.gz BNKUFQFJXHCLDR-UGUYLWEFSA-N 1 0 309.498 3.325 10 0 DGAERO CCC1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000119586974 284146326 /nfs/dbraw/zinc/14/63/26/284146326.db2.gz WMJYSSGLWJTMFV-UHFFFAOYSA-N 1 0 321.465 3.322 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](C)C1 ZINC000119875856 284154559 /nfs/dbraw/zinc/15/45/59/284154559.db2.gz UXUDASVLPAFTRX-AXRJEEMOSA-N 1 0 309.498 3.231 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000093272478 193222851 /nfs/dbraw/zinc/22/28/51/193222851.db2.gz OSFGWQFFDKGZEU-UHFFFAOYSA-N 1 0 322.412 3.324 10 0 DGAERO c1coc([C@@H]2CCC[N@H+]2Cc2ccccc2N2CCOCC2)c1 ZINC000093335346 193233456 /nfs/dbraw/zinc/23/34/56/193233456.db2.gz MVMOUZNKZQGHBG-SFHVURJKSA-N 1 0 312.413 3.453 10 0 DGAERO CCCOc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1OC ZINC000093437576 193251283 /nfs/dbraw/zinc/25/12/83/193251283.db2.gz NPBABROVHGWVSR-DOTOQJQBSA-N 1 0 318.461 3.153 10 0 DGAERO CC(C)Cc1ncc(CN2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000093604636 193272986 /nfs/dbraw/zinc/27/29/86/193272986.db2.gz MOMUTFOSFHJKTH-OAHLLOKOSA-N 1 0 307.507 3.259 10 0 DGAERO COc1cc(C[N@H+](C)CCc2cccs2)cc2c1OCCO2 ZINC000093685395 193288925 /nfs/dbraw/zinc/28/89/25/193288925.db2.gz RKLOQAPZKHYDRL-UHFFFAOYSA-N 1 0 319.426 3.202 10 0 DGAERO CCN(CC)c1ncc(C[N@H+](C)CCc2ncc(C)s2)s1 ZINC000093773439 193304904 /nfs/dbraw/zinc/30/49/04/193304904.db2.gz OXYSAQNFQBYMPK-UHFFFAOYSA-N 1 0 324.519 3.429 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCNC(=O)C(C)C ZINC000120451443 284169722 /nfs/dbraw/zinc/16/97/22/284169722.db2.gz KOYWASKEGBUUFK-SDNWHVSQSA-N 1 0 308.853 3.495 10 0 DGAERO COc1ccc2ccccc2c1CN(C)CC(=O)NC(C)(C)C ZINC000120651817 284174988 /nfs/dbraw/zinc/17/49/88/284174988.db2.gz LOQACQZNTNDDMN-UHFFFAOYSA-N 1 0 314.429 3.195 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(-n2cccn2)c(Cl)c1)[NH+](C)C ZINC000094099069 193344665 /nfs/dbraw/zinc/34/46/65/193344665.db2.gz VIHJGQAWOABXRI-OAHLLOKOSA-N 1 0 320.824 3.195 10 0 DGAERO CCOc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC000120795707 284178662 /nfs/dbraw/zinc/17/86/62/284178662.db2.gz SYJAWRSTJJNIFN-WMLDXEAASA-N 1 0 319.449 3.244 10 0 DGAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094670439 193391054 /nfs/dbraw/zinc/39/10/54/193391054.db2.gz MHNBRPQALLJUPT-KCJUWKMLSA-N 1 0 317.614 3.168 10 0 DGAERO Clc1nc2ccccc2nc1OCCC[C@H]1CCC[NH2+]C1 ZINC000095070481 193415138 /nfs/dbraw/zinc/41/51/38/193415138.db2.gz AXZHFSSFGLYWOQ-GFCCVEGCSA-N 1 0 305.809 3.442 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(Cl)c2)nc1 ZINC000094760152 193395656 /nfs/dbraw/zinc/39/56/56/193395656.db2.gz RZGOCDBVVZPMGN-LLVKDONJSA-N 1 0 304.777 3.372 10 0 DGAERO Brc1ccc(COCCC[C@@H]2CCC[NH2+]C2)cn1 ZINC000095092446 193422926 /nfs/dbraw/zinc/42/29/26/193422926.db2.gz CFEFQVNWEKKYID-LBPRGKRZSA-N 1 0 313.239 3.141 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N([C@@H](C)C(C)C)C2CC2)CC1 ZINC000121942340 284209378 /nfs/dbraw/zinc/20/93/78/284209378.db2.gz DMHQYXDDDNDUIZ-HNNXBMFYSA-N 1 0 309.498 3.327 10 0 DGAERO CCOc1c(Cl)cccc1C[NH2+][C@@H](C)Cc1cc(C)n[nH]1 ZINC000487278464 245043335 /nfs/dbraw/zinc/04/33/35/245043335.db2.gz NXLZQAXPVJNYBN-NSHDSACASA-N 1 0 307.825 3.491 10 0 DGAERO C[C@H]1CCCC[C@H]1CC[NH2+]Cc1c(Br)cnn1C ZINC000487309822 245047581 /nfs/dbraw/zinc/04/75/81/245047581.db2.gz OYEITHAJGCKZCK-RYUDHWBXSA-N 1 0 314.271 3.489 10 0 DGAERO Cc1cncc(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000123213783 284234291 /nfs/dbraw/zinc/23/42/91/284234291.db2.gz OIMFZFNAEJPVSO-OAHLLOKOSA-N 1 0 319.449 3.127 10 0 DGAERO CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H]2COc3ccccc3O2)CS1 ZINC000488412284 245186953 /nfs/dbraw/zinc/18/69/53/245186953.db2.gz LIMNRRIWSMKJEB-ZQIUZPCESA-N 1 0 307.459 3.336 10 0 DGAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000488748546 245229155 /nfs/dbraw/zinc/22/91/55/245229155.db2.gz CAADMJYXPZXORB-VQIMIIECSA-N 1 0 311.425 3.468 10 0 DGAERO O=C(N[C@@H]1CCCC(F)(F)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000488984887 245259173 /nfs/dbraw/zinc/25/91/73/245259173.db2.gz QLCRGEMYASXZMX-HZPDHXFCSA-N 1 0 322.399 3.345 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2CCCS2)C1 ZINC000123960098 284249549 /nfs/dbraw/zinc/24/95/49/284249549.db2.gz YGDPFERUMYWPLO-KGLIPLIRSA-N 1 0 314.495 3.119 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@H]2CCCS2)C1 ZINC000123960802 284250120 /nfs/dbraw/zinc/25/01/20/284250120.db2.gz YGDPFERUMYWPLO-UONOGXRCSA-N 1 0 314.495 3.119 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000135496704 432123487 /nfs/dbraw/zinc/12/34/87/432123487.db2.gz YQVBRBWNNTYSMO-CZUORRHYSA-N 1 0 320.864 3.313 10 0 DGAERO COc1cc(C)cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1C ZINC000489718781 245339434 /nfs/dbraw/zinc/33/94/34/245339434.db2.gz SDEIOWSLUKJTPV-MRXNPFEDSA-N 1 0 319.449 3.116 10 0 DGAERO COc1cc(C)cc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1C ZINC000489718765 245339496 /nfs/dbraw/zinc/33/94/96/245339496.db2.gz SDEIOWSLUKJTPV-INIZCTEOSA-N 1 0 319.449 3.116 10 0 DGAERO C[C@@H](c1ccco1)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125211470 284271419 /nfs/dbraw/zinc/27/14/19/284271419.db2.gz CGUHXPKQGQDTII-NFOMZHRRSA-N 1 0 307.438 3.102 10 0 DGAERO CCC[C@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125232668 284271674 /nfs/dbraw/zinc/27/16/74/284271674.db2.gz AVXOIEJJFXMOAZ-GTPINHCMSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000282518594 217055876 /nfs/dbraw/zinc/05/58/76/217055876.db2.gz ZNYOLIRYJDYTBU-XDTLVQLUSA-N 1 0 310.850 3.134 10 0 DGAERO CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246377004 432125472 /nfs/dbraw/zinc/12/54/72/432125472.db2.gz QNAFNDWFRLPAKL-NCOADZHNSA-N 1 0 309.498 3.325 10 0 DGAERO CCc1noc(C)c1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000127036984 284325333 /nfs/dbraw/zinc/32/53/33/284325333.db2.gz AUVBAHXWEXZXRQ-UHFFFAOYSA-N 1 0 313.401 3.394 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000127131061 284328177 /nfs/dbraw/zinc/32/81/77/284328177.db2.gz BGRVWYGKCJKZQQ-LBPRGKRZSA-N 1 0 320.742 3.183 10 0 DGAERO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127478143 284341367 /nfs/dbraw/zinc/34/13/67/284341367.db2.gz IJTAOCJDFFFABO-RISCZKNCSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H]1CCCN(C(=O)CN2CC[C@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000190178187 432129797 /nfs/dbraw/zinc/12/97/97/432129797.db2.gz UMMQLVWHHWYTPD-STQMWFEESA-N 1 0 320.399 3.155 10 0 DGAERO NC(=[NH2+])c1ccc(OCc2cccc(Br)c2)cc1 ZINC000019479039 182125136 /nfs/dbraw/zinc/12/51/36/182125136.db2.gz RVHFELDBHJZFDG-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO Oc1ccc(C[NH2+]C[C@H]2NCCc3ccccc32)cc1Cl ZINC000019848671 182156625 /nfs/dbraw/zinc/15/66/25/182156625.db2.gz ZCBFSXWXWXKMRX-MRXNPFEDSA-N 1 0 302.805 3.022 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccccc1Br ZINC000019946808 182169577 /nfs/dbraw/zinc/16/95/77/182169577.db2.gz HYUOMEYEBYSUMG-IAQYHMDHSA-N 1 0 309.251 3.194 10 0 DGAERO [NH3+]C[C@@H](c1ccccc1OC(F)(F)F)N1CCCCCC1 ZINC000019984441 182173851 /nfs/dbraw/zinc/17/38/51/182173851.db2.gz ZXSKFDKVWUWRBL-ZDUSSCGKSA-N 1 0 302.340 3.461 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1c(C)cc(Br)cc1C ZINC000020033021 182182192 /nfs/dbraw/zinc/18/21/92/182182192.db2.gz JTUPEDIIOGOWNF-PRHODGIISA-N 1 0 313.239 3.378 10 0 DGAERO CC(C)[C@@H](CNCc1cc(Br)ccc1F)[NH+](C)C ZINC000020145387 182192270 /nfs/dbraw/zinc/19/22/70/182192270.db2.gz UADCNODKFSDKIQ-CQSZACIVSA-N 1 0 317.246 3.264 10 0 DGAERO CC(C)[C@H](CNCc1ccc(Br)s1)[NH+](C)C ZINC000020145850 182192475 /nfs/dbraw/zinc/19/24/75/182192475.db2.gz IFQDXCMELFTFOD-NSHDSACASA-N 1 0 305.285 3.186 10 0 DGAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1cc(OC)ccc1OC ZINC000020226442 182198658 /nfs/dbraw/zinc/19/86/58/182198658.db2.gz FVXIKCDMPJTYIO-SFHVURJKSA-N 1 0 314.429 3.226 10 0 DGAERO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000020269857 182201574 /nfs/dbraw/zinc/20/15/74/182201574.db2.gz MWGSFROPHJWYTM-MRVPVSSYSA-N 1 0 306.715 3.297 10 0 DGAERO Cc1cc(-c2ccc(C[NH2+]C[C@H](C)O)o2)ccc1Br ZINC000020875772 182251515 /nfs/dbraw/zinc/25/15/15/182251515.db2.gz DDHSUSNHJIXKHC-NSHDSACASA-N 1 0 324.218 3.488 10 0 DGAERO CCCOc1c(Cl)cc(C[NH2+]CCN(C)C)cc1OCC ZINC000020968121 182256742 /nfs/dbraw/zinc/25/67/42/182256742.db2.gz AADSRPCGKYFBDG-UHFFFAOYSA-N 1 0 314.857 3.179 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000246462919 432133767 /nfs/dbraw/zinc/13/37/67/432133767.db2.gz PXTZHMFLHBVSMY-LZQZEXGQSA-N 1 0 322.468 3.092 10 0 DGAERO CC1CCN(CC[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493929836 246097324 /nfs/dbraw/zinc/09/73/24/246097324.db2.gz ZXGKQYVXYATFLX-UHFFFAOYSA-N 1 0 302.462 3.056 10 0 DGAERO c1ccc(COC2CC([NH2+]C[C@H]3Cc4ccccc4O3)C2)cc1 ZINC000493942832 246099036 /nfs/dbraw/zinc/09/90/36/246099036.db2.gz BMZXTGJAHRRIHJ-CTWPCTMYSA-N 1 0 309.409 3.328 10 0 DGAERO COCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000494027590 246105868 /nfs/dbraw/zinc/10/58/68/246105868.db2.gz MYNWFEXESJNUQZ-YQQQUEKLSA-N 1 0 316.489 3.444 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]Cc1cc(C(N)=O)co1 ZINC000494452001 246149025 /nfs/dbraw/zinc/14/90/25/246149025.db2.gz IEAGUFGHOHBHIB-IZZDOVSWSA-N 1 0 304.777 3.225 10 0 DGAERO OCC1(Nc2ccccc2)CC[NH+](CCc2cccs2)CC1 ZINC000022006983 182303996 /nfs/dbraw/zinc/30/39/96/182303996.db2.gz QXWYCZZCKVKIHV-UHFFFAOYSA-N 1 0 316.470 3.230 10 0 DGAERO C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1c(F)cccc1F ZINC000134928636 284455089 /nfs/dbraw/zinc/45/50/89/284455089.db2.gz GYDSVINIDOEJSY-HSBZDZAISA-N 1 0 324.415 3.305 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)N(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267481752 206099370 /nfs/dbraw/zinc/09/93/70/206099370.db2.gz CIIZYHBEODMVRB-RDJZCZTQSA-N 1 0 315.461 3.233 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C(F)F)cc1 ZINC000190238407 432135367 /nfs/dbraw/zinc/13/53/67/432135367.db2.gz UTEYUGNTKDLSCM-UHFFFAOYSA-N 1 0 313.392 3.107 10 0 DGAERO C[C@H]([NH2+]C1CC(F)(F)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495905159 246326010 /nfs/dbraw/zinc/32/60/10/246326010.db2.gz LNKGLCVLLNTRHN-RYUDHWBXSA-N 1 0 318.408 3.409 10 0 DGAERO Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000496151782 246359924 /nfs/dbraw/zinc/35/99/24/246359924.db2.gz NWYMGRDLNFEKQS-CABCVRRESA-N 1 0 322.449 3.366 10 0 DGAERO C[C@]12CC[C@H]3c4ccc(OCC[NH3+])cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000098095928 193785066 /nfs/dbraw/zinc/78/50/66/193785066.db2.gz CMRRRUCMFIWSCT-JPLJXNOCSA-N 1 0 313.441 3.449 10 0 DGAERO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@H](C)CS(C)(=O)=O)cc1 ZINC000246475415 432136441 /nfs/dbraw/zinc/13/64/41/432136441.db2.gz HAHPTDUYTRXQQT-BQFCYCMXSA-N 1 0 323.502 3.449 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000136244855 284498114 /nfs/dbraw/zinc/49/81/14/284498114.db2.gz AHAWLHBHORKTQG-RNCFNFMXSA-N 1 0 318.642 3.353 10 0 DGAERO CCC1CCC(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246508617 432138594 /nfs/dbraw/zinc/13/85/94/432138594.db2.gz WYCBBQYTUYANIA-ZGRYLRDCSA-N 1 0 309.498 3.327 10 0 DGAERO CC[C@H](Oc1ccccc1C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246495922 432138662 /nfs/dbraw/zinc/13/86/62/432138662.db2.gz RONCXVVEEQSDPT-ULQDDVLXSA-N 1 0 318.461 3.094 10 0 DGAERO CC[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1nccs1 ZINC000150920206 284541397 /nfs/dbraw/zinc/54/13/97/284541397.db2.gz ARZWGIYIDHXJHX-AWEZNQCLSA-N 1 0 324.494 3.110 10 0 DGAERO CCC(=O)c1ccc(OC[C@H](O)C[NH+](C(C)C)C(C)C)cc1 ZINC000033852205 182723782 /nfs/dbraw/zinc/72/37/82/182723782.db2.gz XHMRUVYUHYNDCM-MRXNPFEDSA-N 1 0 307.434 3.138 10 0 DGAERO C[C@H]1CN([C@H](C[NH2+]C(C2CC2)C2CC2)c2cccs2)CCO1 ZINC000246517036 432140627 /nfs/dbraw/zinc/14/06/27/432140627.db2.gz UKSDAIGSEDHBSG-XJKSGUPXSA-N 1 0 320.502 3.288 10 0 DGAERO Fc1ccc(OC2CC[NH+](CCO[C@H]3CCCCO3)CC2)cc1 ZINC000181706649 432141805 /nfs/dbraw/zinc/14/18/05/432141805.db2.gz AWJKQUKOHNCEQW-SFHVURJKSA-N 1 0 323.408 3.212 10 0 DGAERO Cn1nccc1C1CC[NH+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000181653397 432141926 /nfs/dbraw/zinc/14/19/26/432141926.db2.gz CLFJOSFHPCQJJE-UHFFFAOYSA-N 1 0 321.465 3.112 10 0 DGAERO C[C@H](CNC(=O)C/C=C/c1cccc(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246540864 432141956 /nfs/dbraw/zinc/14/19/56/432141956.db2.gz XTZJORSYJDCPJD-DUIXZTDISA-N 1 0 318.436 3.466 10 0 DGAERO Cc1cccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1Cl ZINC000246535612 432142179 /nfs/dbraw/zinc/14/21/79/432142179.db2.gz VBUKAGWZAJPXQS-TZMCWYRMSA-N 1 0 309.841 3.499 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccccc1OC ZINC000181702226 432142430 /nfs/dbraw/zinc/14/24/30/432142430.db2.gz UYWPIDGLTLFCAJ-DOTOQJQBSA-N 1 0 311.429 3.410 10 0 DGAERO C[C@H](C[N@@H+]1CCCC2(CCCCC2)CC1)CS(C)(=O)=O ZINC000190325239 432143013 /nfs/dbraw/zinc/14/30/13/432143013.db2.gz XDUZJDQLOQCXFN-OAHLLOKOSA-N 1 0 301.496 3.104 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)C1(C)C ZINC000181766160 432143196 /nfs/dbraw/zinc/14/31/96/432143196.db2.gz PIGPBTDYVJXFLL-IAGOWNOFSA-N 1 0 317.477 3.152 10 0 DGAERO C[NH+](C)CCCN[C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037213729 182873055 /nfs/dbraw/zinc/87/30/55/182873055.db2.gz RERIJYKBGALWRI-ZDUSSCGKSA-N 1 0 303.233 3.358 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246575557 432145389 /nfs/dbraw/zinc/14/53/89/432145389.db2.gz CELRXXMGJSNHLT-BBWFWOEESA-N 1 0 324.509 3.256 10 0 DGAERO CCc1cccc(CC(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000152052968 284597794 /nfs/dbraw/zinc/59/77/94/284597794.db2.gz CTOLFQRBUVFEGU-UHFFFAOYSA-N 1 0 310.441 3.170 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000246593148 432147695 /nfs/dbraw/zinc/14/76/95/432147695.db2.gz YYSKYLRECWZCNO-QMTHXVAHSA-N 1 0 313.804 3.329 10 0 DGAERO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](C)CS(C)(=O)=O)c1C ZINC000246592750 432147792 /nfs/dbraw/zinc/14/77/92/432147792.db2.gz PTSWOQUHNZWKCL-GUYCJALGSA-N 1 0 309.475 3.121 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(Cl)c2F)C1 ZINC000246600326 432147344 /nfs/dbraw/zinc/14/73/44/432147344.db2.gz IYWWLJXGAFWASW-SMDDNHRTSA-N 1 0 310.800 3.035 10 0 DGAERO C[C@@H](C[NH2+][C@@H]1CCN(c2ncccc2F)C1)Cc1ccccc1 ZINC000152780968 284640980 /nfs/dbraw/zinc/64/09/80/284640980.db2.gz YHQIYIIKDFJHJH-NVXWUHKLSA-N 1 0 313.420 3.268 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000101976884 193852879 /nfs/dbraw/zinc/85/28/79/193852879.db2.gz FIGFOAKEDOQENG-QGZVFWFLSA-N 1 0 315.417 3.008 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1OC ZINC000246606845 432149284 /nfs/dbraw/zinc/14/92/84/432149284.db2.gz RETXYYBSHTUKKW-KGLIPLIRSA-N 1 0 322.836 3.047 10 0 DGAERO O=C(c1cc(Cl)ccc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000040453998 183068103 /nfs/dbraw/zinc/06/81/03/183068103.db2.gz MLMYEDFCMZFYGP-UHFFFAOYSA-N 1 0 310.800 3.180 10 0 DGAERO C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000040463760 183072015 /nfs/dbraw/zinc/07/20/15/183072015.db2.gz VFXDLLTYSVLXPN-JOYOIKCWSA-N 1 0 302.340 3.256 10 0 DGAERO Cc1ccc(Cl)cc1Nc1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040705026 183120713 /nfs/dbraw/zinc/12/07/13/183120713.db2.gz ZYURNWQVYHAUCC-UHFFFAOYSA-N 1 0 320.828 3.479 10 0 DGAERO CC(C)(C)NNc1[nH+]cnc(NCc2ccc(Cl)cc2)c1N ZINC000040784048 183133582 /nfs/dbraw/zinc/13/35/82/183133582.db2.gz DQFHOBTUYMITGS-UHFFFAOYSA-N 1 0 320.828 3.039 10 0 DGAERO CC(C)[NH2+]CCC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000040854549 183141897 /nfs/dbraw/zinc/14/18/97/183141897.db2.gz ICCWULOVQRAZHB-LLVKDONJSA-N 1 0 313.239 3.014 10 0 DGAERO [NH3+][C@@H](CC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000040853441 183142148 /nfs/dbraw/zinc/14/21/48/183142148.db2.gz CASQRERAAVHVKB-INIZCTEOSA-N 1 0 302.805 3.089 10 0 DGAERO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000040852219 183142327 /nfs/dbraw/zinc/14/23/27/183142327.db2.gz LVZVBVPRXGINJC-WBMJQRKESA-N 1 0 302.805 3.087 10 0 DGAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000153166173 284659956 /nfs/dbraw/zinc/65/99/56/284659956.db2.gz MWDLPEFCCKIIPB-ZBFHGGJFSA-N 1 0 316.445 3.360 10 0 DGAERO CC1(C)CC(NC(=O)C2(c3ccc(F)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000041508977 183195276 /nfs/dbraw/zinc/19/52/76/183195276.db2.gz VISQDKONKAHOHD-UHFFFAOYSA-N 1 0 318.436 3.283 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccccc21 ZINC000153227092 284663054 /nfs/dbraw/zinc/66/30/54/284663054.db2.gz DULNXHGCGMYTCR-VKJFTORMSA-N 1 0 315.461 3.361 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc2cc(Cl)ccc2o1 ZINC000181928785 432149988 /nfs/dbraw/zinc/14/99/88/432149988.db2.gz RNDKHKCIJPUEPT-FZMZJTMJSA-N 1 0 308.809 3.067 10 0 DGAERO CCO[C@@H]1CCC[N@H+](Cc2ccc(N)cc2Br)C1 ZINC000042408556 183265406 /nfs/dbraw/zinc/26/54/06/183265406.db2.gz FIRITEBRJXFFHB-CYBMUJFWSA-N 1 0 313.239 3.032 10 0 DGAERO CC[N@@H+](Cc1ccc(Br)cc1)C[C@@H](C)C(N)=S ZINC000042444611 183271259 /nfs/dbraw/zinc/27/12/59/183271259.db2.gz CFVJGMAUZILZKW-SNVBAGLBSA-N 1 0 315.280 3.193 10 0 DGAERO COc1c(C)cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1C ZINC000151409906 196675871 /nfs/dbraw/zinc/67/58/71/196675871.db2.gz MMKXSOHVGVZLES-FUHWJXTLSA-N 1 0 321.486 3.456 10 0 DGAERO C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccccc1Br ZINC000042336557 183255972 /nfs/dbraw/zinc/25/59/72/183255972.db2.gz BVYHPROSJAKHNQ-LJRHVDQYSA-N 1 0 316.264 3.011 10 0 DGAERO CC[NH2+]CCN(CC)Cc1ccc(F)c(Br)c1 ZINC000042367971 183259735 /nfs/dbraw/zinc/25/97/35/183259735.db2.gz NTXURGYPKHFBTG-UHFFFAOYSA-N 1 0 303.219 3.020 10 0 DGAERO CC[NH2+]CCN(CC)Cc1ccc(Br)cc1F ZINC000042367765 183260218 /nfs/dbraw/zinc/26/02/18/183260218.db2.gz OKHLMTKRNXBUMW-UHFFFAOYSA-N 1 0 303.219 3.020 10 0 DGAERO Cc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246634451 432150326 /nfs/dbraw/zinc/15/03/26/432150326.db2.gz HWQHOLFAPXEKBC-UONOGXRCSA-N 1 0 323.868 3.001 10 0 DGAERO CC[C@H]([NH2+]CC(=O)Nc1ccccc1Br)C(C)C ZINC000042589272 183288685 /nfs/dbraw/zinc/28/86/85/183288685.db2.gz IQRADMXTOYFORH-LBPRGKRZSA-N 1 0 313.239 3.412 10 0 DGAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000042743140 183304827 /nfs/dbraw/zinc/30/48/27/183304827.db2.gz CNYWSDWKJKGSRT-YGRLFVJLSA-N 1 0 305.249 3.350 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)n1cc(Br)cn1 ZINC000042915950 183318407 /nfs/dbraw/zinc/31/84/07/183318407.db2.gz MDOYNWXRYWSHAN-KGLIPLIRSA-N 1 0 308.223 3.281 10 0 DGAERO [NH3+]C[C@@H](OCCc1ccccn1)c1ccc(Br)cc1 ZINC000042958054 183323748 /nfs/dbraw/zinc/32/37/48/183323748.db2.gz MFUXSGREWQMAAL-OAHLLOKOSA-N 1 0 321.218 3.103 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)n1cc(Br)cn1 ZINC000042967833 183324340 /nfs/dbraw/zinc/32/43/40/183324340.db2.gz VCZSUESEFYLOPU-UONOGXRCSA-N 1 0 308.223 3.281 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1cccc(C)c1)n1cc(Br)cn1 ZINC000042967836 183324601 /nfs/dbraw/zinc/32/46/01/183324601.db2.gz VCZSUESEFYLOPU-KGLIPLIRSA-N 1 0 308.223 3.281 10 0 DGAERO CCOCCO[C@H](c1cccc(Br)c1)[C@@H]([NH3+])CC ZINC000043022852 183330299 /nfs/dbraw/zinc/33/02/99/183330299.db2.gz SZHIXFUVHMVWOI-UONOGXRCSA-N 1 0 316.239 3.281 10 0 DGAERO CCOCCO[C@@H](c1cccc(Br)c1)[C@@H]([NH3+])CC ZINC000043022858 183330472 /nfs/dbraw/zinc/33/04/72/183330472.db2.gz SZHIXFUVHMVWOI-KBPBESRZSA-N 1 0 316.239 3.281 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1ccccc1F)n1cc(Br)cn1 ZINC000043046331 183331865 /nfs/dbraw/zinc/33/18/65/183331865.db2.gz WTLLRKNJMBDXOR-QWHCGFSZSA-N 1 0 312.186 3.111 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1ccccc1F)n1cc(Br)cn1 ZINC000043046339 183332092 /nfs/dbraw/zinc/33/20/92/183332092.db2.gz WTLLRKNJMBDXOR-OLZOCXBDSA-N 1 0 312.186 3.111 10 0 DGAERO CCN(CC[NH2+]C(C)C)Cc1sccc1Br ZINC000043675801 183379367 /nfs/dbraw/zinc/37/93/67/183379367.db2.gz ASGMZOAWFASVOV-UHFFFAOYSA-N 1 0 305.285 3.331 10 0 DGAERO NC(=S)CC[N@H+](Cc1cc(Br)cs1)C1CC1 ZINC000043687175 183379867 /nfs/dbraw/zinc/37/98/67/183379867.db2.gz GXZAUJCTVSZJNL-UHFFFAOYSA-N 1 0 319.293 3.151 10 0 DGAERO CC[N@@H+](Cc1cc(Br)cs1)C[C@H](C)C(N)=S ZINC000043687163 183380407 /nfs/dbraw/zinc/38/04/07/183380407.db2.gz KLGSEEZFAFJNKC-QMMMGPOBSA-N 1 0 321.309 3.255 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])C[C@@H](c2cc(F)cc(F)c2)C1 ZINC000044136156 183395392 /nfs/dbraw/zinc/39/53/92/183395392.db2.gz XDCABODMRMVTBG-RISCZKNCSA-N 1 0 312.360 3.017 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H](c2cc(F)cc(F)c2)C[C@H]([NH3+])C1 ZINC000044136159 183395449 /nfs/dbraw/zinc/39/54/49/183395449.db2.gz XDCABODMRMVTBG-FZMZJTMJSA-N 1 0 312.360 3.017 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC([NH+](C)C)CC1 ZINC000153717919 284687208 /nfs/dbraw/zinc/68/72/08/284687208.db2.gz HYTFHHOPOVXYAA-CYBMUJFWSA-N 1 0 308.853 3.071 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000173582013 284693381 /nfs/dbraw/zinc/69/33/81/284693381.db2.gz KKIKZHKTHOXQDG-CGTJXYLNSA-N 1 0 306.494 3.393 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)ccc1F ZINC000154006024 284705676 /nfs/dbraw/zinc/70/56/76/284705676.db2.gz IRAKNGASRFFAMA-RYUDHWBXSA-N 1 0 319.424 3.466 10 0 DGAERO COc1ccccc1CC[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000104711431 194029738 /nfs/dbraw/zinc/02/97/38/194029738.db2.gz YATADTOKFBEZIO-UHFFFAOYSA-N 1 0 312.413 3.328 10 0 DGAERO COc1ccccc1CC[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000104709692 194030035 /nfs/dbraw/zinc/03/00/35/194030035.db2.gz BVCQSYHWGYIHPT-UHFFFAOYSA-N 1 0 312.413 3.198 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000105080490 194070440 /nfs/dbraw/zinc/07/04/40/194070440.db2.gz GOVCITIKHKMGSF-DOMZBBRYSA-N 1 0 309.841 3.137 10 0 DGAERO C[C@@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)Cc1ccc(Cl)cc1 ZINC000179905609 284736962 /nfs/dbraw/zinc/73/69/62/284736962.db2.gz CJQVHCSHAOMMRM-CZUORRHYSA-N 1 0 308.853 3.071 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC000105087093 194072039 /nfs/dbraw/zinc/07/20/39/194072039.db2.gz NPZKMJFPIDXAAY-CABCVRRESA-N 1 0 307.438 3.069 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@H]2CCCCC(F)(F)C2)CCOCC1 ZINC000453227126 284741346 /nfs/dbraw/zinc/74/13/46/284741346.db2.gz COAHGQZDFLRYMD-KGLIPLIRSA-N 1 0 305.409 3.376 10 0 DGAERO Cc1nc2cc(NC(=O)NCC[N@@H+](C)C3CCCC3)ccc2o1 ZINC000105294699 194094541 /nfs/dbraw/zinc/09/45/41/194094541.db2.gz XDRYACJAQSUNDD-UHFFFAOYSA-N 1 0 316.405 3.132 10 0 DGAERO Brc1cccc2c1CC[C@H]2[NH2+]Cc1cncnc1 ZINC000105491700 194105836 /nfs/dbraw/zinc/10/58/36/194105836.db2.gz HTVRMUQRJRHSMP-CQSZACIVSA-N 1 0 304.191 3.016 10 0 DGAERO Cc1noc(CC[NH2+]Cc2ccc(SC(F)(F)F)cc2)n1 ZINC000105469779 194106503 /nfs/dbraw/zinc/10/65/03/194106503.db2.gz LJJKBRVAPWHDQC-UHFFFAOYSA-N 1 0 317.336 3.322 10 0 DGAERO C[C@H](c1cccc(F)c1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105807285 194133965 /nfs/dbraw/zinc/13/39/65/194133965.db2.gz PFLXLMBAMHGRBM-CQSZACIVSA-N 1 0 314.408 3.278 10 0 DGAERO C[C@H](c1ccccc1F)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805710 194134311 /nfs/dbraw/zinc/13/43/11/194134311.db2.gz TUJORXWNOZKWSL-CYBMUJFWSA-N 1 0 300.381 3.253 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)CC2 ZINC000105874335 194153448 /nfs/dbraw/zinc/15/34/48/194153448.db2.gz HVFZBUSZOMHGCG-DOMZBBRYSA-N 1 0 302.397 3.206 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1F ZINC000105899488 194165180 /nfs/dbraw/zinc/16/51/80/194165180.db2.gz FHPOKHLBIPJAOC-HNNXBMFYSA-N 1 0 303.381 3.176 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000105928628 194173105 /nfs/dbraw/zinc/17/31/05/194173105.db2.gz UGARMNGAYKNWSE-CYBMUJFWSA-N 1 0 302.397 3.378 10 0 DGAERO C[N@H+](Cc1ccccc1Cl)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106079792 194184097 /nfs/dbraw/zinc/18/40/97/194184097.db2.gz YPSSTQQYCAEVCK-OAHLLOKOSA-N 1 0 316.836 3.231 10 0 DGAERO c1ccc2c(c1)CCC[C@H]2[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080656 194184229 /nfs/dbraw/zinc/18/42/29/194184229.db2.gz ADNOVCSZMFRDLQ-GOSISDBHSA-N 1 0 308.429 3.431 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCOc1ccccc1F ZINC000106210664 194190159 /nfs/dbraw/zinc/19/01/59/194190159.db2.gz TXILPMXGOZORLO-INIZCTEOSA-N 1 0 317.408 3.392 10 0 DGAERO COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000106615563 194238031 /nfs/dbraw/zinc/23/80/31/194238031.db2.gz CCOAAMAFUQYZGH-OALUTQOASA-N 1 0 324.424 3.499 10 0 DGAERO C[NH2+][C@@H](Cc1ccc(F)c(Br)c1)C[C@@H]1CCCO1 ZINC000049599410 183747027 /nfs/dbraw/zinc/74/70/27/183747027.db2.gz UYZDSZJWRIVSPR-RYUDHWBXSA-N 1 0 316.214 3.288 10 0 DGAERO CSc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000107524523 194255954 /nfs/dbraw/zinc/25/59/54/194255954.db2.gz IURLZNYPBTXYEI-INIZCTEOSA-N 1 0 318.486 3.499 10 0 DGAERO Brc1ccc(C2CC([NH2+][C@H]3CCCOC3)C2)cc1 ZINC000109544846 194273260 /nfs/dbraw/zinc/27/32/60/194273260.db2.gz IPWICGUHEKLOTQ-BLZCZZARSA-N 1 0 310.235 3.464 10 0 DGAERO CN(Cc1cc(Br)cs1)c1cccc(C[NH3+])n1 ZINC000051397537 183826414 /nfs/dbraw/zinc/82/64/14/183826414.db2.gz LFMSBPCACLMNIP-UHFFFAOYSA-N 1 0 312.236 3.001 10 0 DGAERO CCC[NH2+][C@H](CCc1cccc(Br)c1)COC ZINC000051696380 183834618 /nfs/dbraw/zinc/83/46/18/183834618.db2.gz JYNUHDDZHCTMBX-CQSZACIVSA-N 1 0 300.240 3.396 10 0 DGAERO CC(C)[NH2+]C[C@@H](c1ccccc1)n1cc(Br)cn1 ZINC000052577621 183865424 /nfs/dbraw/zinc/86/54/24/183865424.db2.gz SEKDWMODTRLOBA-AWEZNQCLSA-N 1 0 308.223 3.233 10 0 DGAERO C[C@H]1COCCN1CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000245989216 284860170 /nfs/dbraw/zinc/86/01/70/284860170.db2.gz HSACYUOOZQJTLP-GUYCJALGSA-N 1 0 308.853 3.101 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000057751588 184051408 /nfs/dbraw/zinc/05/14/08/184051408.db2.gz JPJVPHNQYAAKAV-FRRDWIJNSA-N 1 0 323.403 3.137 10 0 DGAERO c1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c2c(c1)OCCO2 ZINC000268966632 207131443 /nfs/dbraw/zinc/13/14/43/207131443.db2.gz KYFYVBANWGOGDS-INIZCTEOSA-N 1 0 317.429 3.429 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2cnn(-c3ccccc3)c2)s1 ZINC000157740480 197211386 /nfs/dbraw/zinc/21/13/86/197211386.db2.gz HWBQKIOLENIEBW-UHFFFAOYSA-N 1 0 312.442 3.312 10 0 DGAERO O=C(c1c(F)cccc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000058911278 184131074 /nfs/dbraw/zinc/13/10/74/184131074.db2.gz MYTNJTQNACVEMJ-UHFFFAOYSA-N 1 0 310.800 3.180 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000058525625 184121596 /nfs/dbraw/zinc/12/15/96/184121596.db2.gz GBMMJMMJSQUWCD-SFHVURJKSA-N 1 0 324.424 3.001 10 0 DGAERO C[NH2+][C@H](Cc1sccc1Br)Cc1cccnc1 ZINC000060708008 184154431 /nfs/dbraw/zinc/15/44/31/184154431.db2.gz CGNFZHUNHMAZIJ-NSHDSACASA-N 1 0 311.248 3.279 10 0 DGAERO FC(F)n1c2ccccc2nc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000061040971 184160253 /nfs/dbraw/zinc/16/02/53/184160253.db2.gz XKPCUUSSHDACGM-UHFFFAOYSA-N 1 0 320.387 3.102 10 0 DGAERO COc1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1Cl ZINC000061610679 184178099 /nfs/dbraw/zinc/17/80/99/184178099.db2.gz ZNNRYOVRQSJUQR-ZDUSSCGKSA-N 1 0 304.777 3.030 10 0 DGAERO C[NH+](C)C[C@H]1CCCN1Cc1ccc(F)c(Br)c1 ZINC000061652237 184181081 /nfs/dbraw/zinc/18/10/81/184181081.db2.gz WQIJISBOBKDROG-GFCCVEGCSA-N 1 0 315.230 3.114 10 0 DGAERO C[NH+](C)C[C@H]1CCCN1Cc1sccc1Br ZINC000061652239 184181144 /nfs/dbraw/zinc/18/11/44/184181144.db2.gz MVRLGJRFWFTLCN-SNVBAGLBSA-N 1 0 303.269 3.037 10 0 DGAERO Fc1ccc(-c2c[nH]c(C[C@H]3CCC[NH2+]3)n2)cc1Br ZINC000061689869 184182900 /nfs/dbraw/zinc/18/29/00/184182900.db2.gz MUEHDHNXIDLCEY-SNVBAGLBSA-N 1 0 324.197 3.273 10 0 DGAERO CC[NH2+][C@@H](C)c1ccc(OCCOC)c(Br)c1 ZINC000061698997 184183887 /nfs/dbraw/zinc/18/38/87/184183887.db2.gz VTDNYNLTXGEGJS-JTQLQIEISA-N 1 0 302.212 3.145 10 0 DGAERO Cc1nnc(Sc2ccc([C@@H](C)[NH3+])cc2Br)o1 ZINC000061700413 184184010 /nfs/dbraw/zinc/18/40/10/184184010.db2.gz YKCHHPRPOANERD-ZCFIWIBFSA-N 1 0 314.208 3.311 10 0 DGAERO COC(=O)C[C@H](C)C[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000061829950 184188909 /nfs/dbraw/zinc/18/89/09/184188909.db2.gz BYRWXQYNRDAULH-BXKDBHETSA-N 1 0 300.196 3.038 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@@H]1COc2ccc(Cl)cc2[C@@H]1O ZINC000062175500 184211782 /nfs/dbraw/zinc/21/17/82/184211782.db2.gz CQVVHMUTJLRXLQ-WBVHZDCISA-N 1 0 303.789 3.266 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000246667278 284914551 /nfs/dbraw/zinc/91/45/51/284914551.db2.gz WUZJWNOBJXLWGV-KBAYOESNSA-N 1 0 321.509 3.471 10 0 DGAERO CC[C@@H]([NH3+])Cc1nccn1Cc1sccc1Br ZINC000062803192 184253567 /nfs/dbraw/zinc/25/35/67/184253567.db2.gz MJTXHYTXGWWJHB-SECBINFHSA-N 1 0 314.252 3.035 10 0 DGAERO Brc1ccc(CN2CC[NH2+]Cc3ccccc32)o1 ZINC000062818181 184253898 /nfs/dbraw/zinc/25/38/98/184253898.db2.gz PIFICPGBLFJOOS-UHFFFAOYSA-N 1 0 307.191 3.152 10 0 DGAERO CC[C@]1(c2nc3cc(Br)ccc3n2C)CCC[NH2+]C1 ZINC000062869090 184257566 /nfs/dbraw/zinc/25/75/66/184257566.db2.gz CTNWRAGGBOWBSZ-HNNXBMFYSA-N 1 0 322.250 3.367 10 0 DGAERO CCn1c2ccc(Br)cc2nc1[C@@]1(CC)CC[NH2+]C1 ZINC000062915018 184259874 /nfs/dbraw/zinc/25/98/74/184259874.db2.gz ULWIGABKUPPUAQ-HNNXBMFYSA-N 1 0 322.250 3.460 10 0 DGAERO CC(C)[NH2+][C@@H](CCSc1cc(Cl)ccc1Cl)C(N)=O ZINC000062598379 184245016 /nfs/dbraw/zinc/24/50/16/184245016.db2.gz OIKGOFOEQKOJOS-NSHDSACASA-N 1 0 321.273 3.328 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000246757852 284919591 /nfs/dbraw/zinc/91/95/91/284919591.db2.gz QIXVXKIVUXFBMI-MGPQQGTHSA-N 1 0 309.479 3.181 10 0 DGAERO C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247182998 284948610 /nfs/dbraw/zinc/94/86/10/284948610.db2.gz UUHXVIOVUGSRCH-HUUCEWRRSA-N 1 0 320.481 3.378 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2ccccc2n1C(F)F ZINC000113518393 194600103 /nfs/dbraw/zinc/60/01/03/194600103.db2.gz MBHDXPOWTZZTLL-CHWSQXEVSA-N 1 0 320.387 3.100 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248411781 284994097 /nfs/dbraw/zinc/99/40/97/284994097.db2.gz ZRAWFVFTRKGPHU-ATNYBXOESA-N 1 0 313.445 3.199 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000248549886 285004813 /nfs/dbraw/zinc/00/48/13/285004813.db2.gz GDELQFYRKROQOQ-HKUYNNGSSA-N 1 0 319.445 3.245 10 0 DGAERO COC[C@](C)(CCO)[NH2+]CCCSc1ccccc1Cl ZINC000085903378 252599043 /nfs/dbraw/zinc/59/90/43/252599043.db2.gz HWDNKVUHMWDPTP-HNNXBMFYSA-N 1 0 317.882 3.199 10 0 DGAERO CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248581871 285007921 /nfs/dbraw/zinc/00/79/21/285007921.db2.gz OXEQZKJRFVKUSC-AEFFLSMTSA-N 1 0 302.462 3.103 10 0 DGAERO CCC(CC)(CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000093962743 252620300 /nfs/dbraw/zinc/62/03/00/252620300.db2.gz VHHVSCVAXPXQHG-UHFFFAOYSA-N 1 0 304.203 3.229 10 0 DGAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000098123311 252624872 /nfs/dbraw/zinc/62/48/72/252624872.db2.gz ZAFXFSIVVGTDAL-WDEREUQCSA-N 1 0 300.805 3.435 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000248647975 285014059 /nfs/dbraw/zinc/01/40/59/285014059.db2.gz JAWRBHOHCYFBPH-DAYGRLMNSA-N 1 0 309.425 3.386 10 0 DGAERO CN1CC[C@H](C[NH2+]Cc2cocn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248680390 285017388 /nfs/dbraw/zinc/01/73/88/285017388.db2.gz VYFBGRQOXZOKAX-MLGOLLRUSA-N 1 0 323.799 3.250 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000248644450 285013421 /nfs/dbraw/zinc/01/34/21/285013421.db2.gz FLCNEXLANFBCLW-MSOLQXFVSA-N 1 0 323.502 3.263 10 0 DGAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000248644809 285013455 /nfs/dbraw/zinc/01/34/55/285013455.db2.gz FOGHIZPVVCHDHZ-OTWHNJEPSA-N 1 0 305.462 3.165 10 0 DGAERO C[C@@H]1CC[C@H](C)CN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000176016451 252698914 /nfs/dbraw/zinc/69/89/14/252698914.db2.gz PJBKYYDIJMJIDK-JKSUJKDBSA-N 1 0 321.509 3.471 10 0 DGAERO CCS[C@@H]1CC[C@@H](N(C)C(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000246374793 207668750 /nfs/dbraw/zinc/66/87/50/207668750.db2.gz JLKSJKBDXUOOPH-RBSFLKMASA-N 1 0 315.527 3.032 10 0 DGAERO FC(F)(F)c1cnc(N2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000248740099 285021619 /nfs/dbraw/zinc/02/16/19/285021619.db2.gz ASADKEDBPLBVBP-JTQLQIEISA-N 1 0 305.731 3.038 10 0 DGAERO CSc1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nn1 ZINC000301368194 532984113 /nfs/dbraw/zinc/98/41/13/532984113.db2.gz TVMCFNLQAXOYMW-HNNXBMFYSA-N 1 0 314.458 3.448 10 0 DGAERO Cc1ccccc1SCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177551433 252720687 /nfs/dbraw/zinc/72/06/87/252720687.db2.gz DJNFKJUGVUVVRB-CABCVRRESA-N 1 0 306.475 3.076 10 0 DGAERO c1nc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)co1 ZINC000248846401 285030803 /nfs/dbraw/zinc/03/08/03/285030803.db2.gz ARDYPIDIYGIXFZ-IEBWSBKVSA-N 1 0 311.429 3.161 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2cc(F)ccc12 ZINC000248848117 285031329 /nfs/dbraw/zinc/03/13/29/285031329.db2.gz IOPCNYSOAWIGCF-KBPBESRZSA-N 1 0 315.392 3.006 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248852908 285032132 /nfs/dbraw/zinc/03/21/32/285032132.db2.gz COSIFPHMNXUIIG-QWHCGFSZSA-N 1 0 320.399 3.298 10 0 DGAERO COC[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000119698131 195019424 /nfs/dbraw/zinc/01/94/24/195019424.db2.gz KHYAUSIJHWSIII-OALUTQOASA-N 1 0 302.462 3.056 10 0 DGAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CCN(C)CC1 ZINC000119713004 195023930 /nfs/dbraw/zinc/02/39/30/195023930.db2.gz HOYOHGDPOJCKBO-ZDUSSCGKSA-N 1 0 312.404 3.293 10 0 DGAERO Cc1ccc(C)c([C@@H]2CN(CCOCC(F)F)[C@@H](C)CO2)c1 ZINC000248933909 285040018 /nfs/dbraw/zinc/04/00/18/285040018.db2.gz BSBVEZRBEFRNHB-HOCLYGCPSA-N 1 0 313.388 3.347 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000119668392 195012981 /nfs/dbraw/zinc/01/29/81/195012981.db2.gz CAMAEQXVWAHNTH-UHOSZYNNSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000249040584 285048698 /nfs/dbraw/zinc/04/86/98/285048698.db2.gz GQMLVHIWYXHKHG-AYOQOUSVSA-N 1 0 303.446 3.390 10 0 DGAERO CC[NH+](CC)CCN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000119865548 195051133 /nfs/dbraw/zinc/05/11/33/195051133.db2.gz LZFKAWBYCFDYTE-INIZCTEOSA-N 1 0 306.450 3.183 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119870813 195051853 /nfs/dbraw/zinc/05/18/53/195051853.db2.gz FPUSEHWSLZVFMD-MJGOQNOKSA-N 1 0 324.509 3.042 10 0 DGAERO CC[NH+](CC)CCN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000119897243 195058034 /nfs/dbraw/zinc/05/80/34/195058034.db2.gz UJAGODBTSUAJKV-UHFFFAOYSA-N 1 0 300.450 3.084 10 0 DGAERO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000249040586 285048602 /nfs/dbraw/zinc/04/86/02/285048602.db2.gz GQMLVHIWYXHKHG-MNEFBYGVSA-N 1 0 303.446 3.390 10 0 DGAERO C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000119955260 195068986 /nfs/dbraw/zinc/06/89/86/195068986.db2.gz LWOKCXWORMEDDN-MRXNPFEDSA-N 1 0 300.446 3.125 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000249082484 285052852 /nfs/dbraw/zinc/05/28/52/285052852.db2.gz MTKMWENJELSMQW-BPLDGKMQSA-N 1 0 313.388 3.360 10 0 DGAERO CCC1(CC)C[N@H+](C[C@H](C)c2ccc(OC)cc2)CC[S@@]1=O ZINC000249059694 285050946 /nfs/dbraw/zinc/05/09/46/285050946.db2.gz YHNYMSNJEZDHGT-NYHFZMIOSA-N 1 0 323.502 3.422 10 0 DGAERO CC[C@@](C)(CCO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000119929775 195065454 /nfs/dbraw/zinc/06/54/54/195065454.db2.gz MWHCSFXRZDHRNJ-ZDUSSCGKSA-N 1 0 304.203 3.229 10 0 DGAERO Cc1noc([C@@H](C)N2CC[NH+](C[C@H]3C(C)=CCC[C@@H]3C)CC2)n1 ZINC000249110138 285056882 /nfs/dbraw/zinc/05/68/82/285056882.db2.gz RESUDGBHMAOXAI-UXLLHSPISA-N 1 0 318.465 3.049 10 0 DGAERO Cc1noc([C@H](C)N2CC[NH+](C[C@H]3C(C)=CCC[C@@H]3C)CC2)n1 ZINC000249110151 285056908 /nfs/dbraw/zinc/05/69/08/285056908.db2.gz RESUDGBHMAOXAI-ZOBUZTSGSA-N 1 0 318.465 3.049 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)on1 ZINC000120097553 195096273 /nfs/dbraw/zinc/09/62/73/195096273.db2.gz PURAFABKNJSFML-AWEZNQCLSA-N 1 0 315.417 3.471 10 0 DGAERO CSC[C@](C)(O)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312602191 252908612 /nfs/dbraw/zinc/90/86/12/252908612.db2.gz NDHGMRYRNMCMBR-SNVBAGLBSA-N 1 0 300.276 3.259 10 0 DGAERO COC[C@H](C)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249176702 285061536 /nfs/dbraw/zinc/06/15/36/285061536.db2.gz FMAMWYDQLFHUNJ-DFKRKDTASA-N 1 0 318.244 3.166 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000336789066 253001410 /nfs/dbraw/zinc/00/14/10/253001410.db2.gz RQYARKZRQUSDIM-GXFFZTMASA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000249455023 285074911 /nfs/dbraw/zinc/07/49/11/285074911.db2.gz PGYCDCSBYOYBEW-MJGOQNOKSA-N 1 0 316.489 3.349 10 0 DGAERO CC(=O)N(c1nc(C[NH2+]CCC2=CCCC2)cs1)C1CC1 ZINC000120150708 195106233 /nfs/dbraw/zinc/10/62/33/195106233.db2.gz FPKCFXDQUWUGNJ-UHFFFAOYSA-N 1 0 305.447 3.248 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)s1 ZINC000249604053 285082237 /nfs/dbraw/zinc/08/22/37/285082237.db2.gz ZCWDBBZBZCOHGL-RNCFNFMXSA-N 1 0 322.396 3.453 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(OC)cc1 ZINC000249707363 285084880 /nfs/dbraw/zinc/08/48/80/285084880.db2.gz BLHZDTJSZKQYGJ-OIISXLGYSA-N 1 0 303.402 3.001 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000249753601 285086954 /nfs/dbraw/zinc/08/69/54/285086954.db2.gz FRZRWXFMAXNOAO-IUODEOHRSA-N 1 0 309.841 3.185 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCSc3ccccc32)C1 ZINC000249811645 285089346 /nfs/dbraw/zinc/08/93/46/285089346.db2.gz ZNHVGKAHSVDWJU-ZFWWWQNUSA-N 1 0 319.474 3.007 10 0 DGAERO COC[C@H](C)CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000249894283 285091157 /nfs/dbraw/zinc/09/11/57/285091157.db2.gz RGPBAMLWAOZDPP-CHWSQXEVSA-N 1 0 312.479 3.096 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(Br)ccc1F ZINC000251793949 285098834 /nfs/dbraw/zinc/09/88/34/285098834.db2.gz WSKKFKRVDXDDLB-PKFCDNJMSA-N 1 0 316.214 3.400 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)CC[C@H]1C ZINC000252040339 285102087 /nfs/dbraw/zinc/10/20/87/285102087.db2.gz ZKNNBDYDLBGQSN-KUHUBIRLSA-N 1 0 313.445 3.346 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000338202060 253241475 /nfs/dbraw/zinc/24/14/75/253241475.db2.gz YVWCZJXFWKQXGJ-JIIJFUIFSA-N 1 0 309.837 3.120 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000252656449 285103556 /nfs/dbraw/zinc/10/35/56/285103556.db2.gz GKPPSLXGFWNQCW-OAGGEKHMSA-N 1 0 310.482 3.009 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000159286012 197342093 /nfs/dbraw/zinc/34/20/93/197342093.db2.gz GOGQJBZTUUYQLT-UHFFFAOYSA-N 1 0 322.405 3.133 10 0 DGAERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1 ZINC000159176198 197332842 /nfs/dbraw/zinc/33/28/42/197332842.db2.gz YZSMEYXTEZGMRV-RDTXWAMCSA-N 1 0 314.404 3.176 10 0 DGAERO c1coc([C@@H](CNc2ccnc3cccnc32)[NH+]2CCCCC2)c1 ZINC000338630742 253323031 /nfs/dbraw/zinc/32/30/31/253323031.db2.gz BDWDWUUXTWNIEK-QGZVFWFLSA-N 1 0 322.412 3.284 10 0 DGAERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccs1 ZINC000159066492 197323845 /nfs/dbraw/zinc/32/38/45/197323845.db2.gz IQESBZLZNKERBY-ZFWWWQNUSA-N 1 0 302.443 3.098 10 0 DGAERO C[N@H+](CCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000254987981 285117703 /nfs/dbraw/zinc/11/77/03/285117703.db2.gz XLRVUHNDEYPDFO-ROUUACIJSA-N 1 0 318.436 3.310 10 0 DGAERO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000120222763 195122479 /nfs/dbraw/zinc/12/24/79/195122479.db2.gz QNEWOFAAEGMJRZ-KRWDZBQOSA-N 1 0 314.408 3.025 10 0 DGAERO c1cc(-c2ccccc2)sc1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000338964128 253380467 /nfs/dbraw/zinc/38/04/67/253380467.db2.gz RXROIKUOPVEPQG-GASCZTMLSA-N 1 0 301.411 3.015 10 0 DGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000339985182 253550242 /nfs/dbraw/zinc/55/02/42/253550242.db2.gz KKQWDILIASAKIP-BCXHYRKLSA-N 1 0 319.445 3.043 10 0 DGAERO Cc1cc(C)c(C[NH+]2CCC(Nc3cccnn3)CC2)cc1C ZINC000120271609 195133663 /nfs/dbraw/zinc/13/36/63/195133663.db2.gz QAXBEEVTQAEGHH-UHFFFAOYSA-N 1 0 310.445 3.478 10 0 DGAERO CN(C)C(=O)C1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000255397313 285153504 /nfs/dbraw/zinc/15/35/04/285153504.db2.gz NSTPRKLLWIPMMG-ARJAWSKDSA-N 1 0 306.837 3.153 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C=C\c2ccc(Cl)cc2)C[C@@H]1C ZINC000255486253 285157876 /nfs/dbraw/zinc/15/78/76/285157876.db2.gz NMNWKITWJSQHAS-AWFCHZOYSA-N 1 0 322.880 3.396 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)C(=O)N(C)C ZINC000342120979 253930373 /nfs/dbraw/zinc/93/03/73/253930373.db2.gz AXZYOYVVPDROKL-JATZPVMKSA-N 1 0 314.351 3.175 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)ccc1F ZINC000152831994 533112736 /nfs/dbraw/zinc/11/27/36/533112736.db2.gz ZHDMJTWGRJFISV-CYBMUJFWSA-N 1 0 322.424 3.132 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1cccc(-n2ccnc2)c1 ZINC000157923730 197227389 /nfs/dbraw/zinc/22/73/89/197227389.db2.gz DZIWNPVXZJOXFV-JKSUJKDBSA-N 1 0 309.417 3.198 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)no1 ZINC000120299587 195138835 /nfs/dbraw/zinc/13/88/35/195138835.db2.gz YFNMCXWZTJHMSM-CQSZACIVSA-N 1 0 315.417 3.471 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000255576539 285166004 /nfs/dbraw/zinc/16/60/04/285166004.db2.gz WHWAMASRDCYMBV-OOFWQKGWSA-N 1 0 300.446 3.197 10 0 DGAERO CC[C@H]1CN(C/C(C)=C\c2ccccc2)CC[N@@H+]1CCOC ZINC000255589956 285167234 /nfs/dbraw/zinc/16/72/34/285167234.db2.gz MRUAHIVPMRZPPK-FCUDFIOSSA-N 1 0 302.462 3.133 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+]C(C3CC3)C3CC3)C2)c1 ZINC000157494223 197192100 /nfs/dbraw/zinc/19/21/00/197192100.db2.gz GCUXFJPWMOBPJV-CQSZACIVSA-N 1 0 300.446 3.300 10 0 DGAERO CCCC[C@@H](COC)[NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000157543527 197195264 /nfs/dbraw/zinc/19/52/64/197195264.db2.gz CWQRWBDTAXIXOS-SJORKVTESA-N 1 0 320.477 3.316 10 0 DGAERO Cc1[nH+]ccc(NCc2ccn(Cc3ccccc3)n2)c1Cl ZINC000343138396 254104924 /nfs/dbraw/zinc/10/49/24/254104924.db2.gz HJRBDFIGXWQDSE-UHFFFAOYSA-N 1 0 312.804 3.322 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2ccc(-n3cccn3)cc2)s1 ZINC000157446635 197187820 /nfs/dbraw/zinc/18/78/20/197187820.db2.gz DHXFGZZPTUXKSN-UHFFFAOYSA-N 1 0 312.442 3.312 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+][C@H]1COc2ccccc2C1 ZINC000343769183 254186494 /nfs/dbraw/zinc/18/64/94/254186494.db2.gz SNKVCESBCNDOGE-OAHLLOKOSA-N 1 0 323.421 3.298 10 0 DGAERO Cc1noc([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccc(C)c3)C2)n1 ZINC000344837581 254309889 /nfs/dbraw/zinc/30/98/89/254309889.db2.gz WVAQWABINGFLGL-OAHLLOKOSA-N 1 0 323.400 3.066 10 0 DGAERO CC1(C)CN(C(=O)CSc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261819109 285192889 /nfs/dbraw/zinc/19/28/89/285192889.db2.gz HTLRDLPNSRKFIW-ZDUSSCGKSA-N 1 0 312.866 3.018 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000262755305 285196669 /nfs/dbraw/zinc/19/66/69/285196669.db2.gz OLIVGEHBIOHLSS-IUODEOHRSA-N 1 0 316.376 3.428 10 0 DGAERO CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262490686 285195631 /nfs/dbraw/zinc/19/56/31/285195631.db2.gz XEDYCPCLEMUEST-RBZJEDDUSA-N 1 0 310.507 3.040 10 0 DGAERO CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000156766596 197139032 /nfs/dbraw/zinc/13/90/32/197139032.db2.gz YMQBCTDOFINAMF-IAGOWNOFSA-N 1 0 320.481 3.150 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000156031369 197082183 /nfs/dbraw/zinc/08/21/83/197082183.db2.gz OLPAPZCCPAGLNH-IAQYHMDHSA-N 1 0 312.816 3.281 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000155200520 197032583 /nfs/dbraw/zinc/03/25/83/197032583.db2.gz SWZGSQKAXXEXKY-OIKLOGQESA-N 1 0 300.855 3.499 10 0 DGAERO C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000155076478 197019919 /nfs/dbraw/zinc/01/99/19/197019919.db2.gz HSUAYCRXSHPQBP-IPYPFGDCSA-N 1 0 324.415 3.400 10 0 DGAERO Cc1cc(Br)cnc1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286396239 285237309 /nfs/dbraw/zinc/23/73/09/285237309.db2.gz NZDCQRXSBYLDKB-PBWFPOADSA-N 1 0 324.266 3.214 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2(C)C)CCN1Cc1ccccc1 ZINC000294678413 224162770 /nfs/dbraw/zinc/16/27/70/224162770.db2.gz IAAQYAKIMFBRNJ-NXHRZFHOSA-N 1 0 302.462 3.197 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C)c2C)[C@H](C)C1 ZINC000120369131 195153570 /nfs/dbraw/zinc/15/35/70/195153570.db2.gz SHRRUJPTXWWMBK-RHSMWYFYSA-N 1 0 303.450 3.497 10 0 DGAERO C[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000120425446 195163987 /nfs/dbraw/zinc/16/39/87/195163987.db2.gz FLTSWWIAUTZEEE-QFBILLFUSA-N 1 0 310.441 3.079 10 0 DGAERO OCC[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000437955398 285266476 /nfs/dbraw/zinc/26/64/76/285266476.db2.gz QAJXCBJAOOIGCX-QYZOEREBSA-N 1 0 303.446 3.090 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c(F)c1 ZINC000120495936 195178018 /nfs/dbraw/zinc/17/80/18/195178018.db2.gz ZJBQSNQAYJYRFL-RYUDHWBXSA-N 1 0 319.424 3.466 10 0 DGAERO COc1ccc(Cl)c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000120509298 195180462 /nfs/dbraw/zinc/18/04/62/195180462.db2.gz OFOBGVYBHCFELG-VXGBXAGGSA-N 1 0 323.824 3.049 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)c(F)c2)[C@H](C)C1 ZINC000120529458 195184157 /nfs/dbraw/zinc/18/41/57/195184157.db2.gz HSXYGZXHUVSFKK-DOMZBBRYSA-N 1 0 323.412 3.028 10 0 DGAERO CCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000120561845 195191658 /nfs/dbraw/zinc/19/16/58/195191658.db2.gz OLNJBEYEUGUBOT-RHSMWYFYSA-N 1 0 319.449 3.279 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]1)NCc1ccccc1OCc1ccccc1 ZINC000152247649 196794634 /nfs/dbraw/zinc/79/46/34/196794634.db2.gz UIHDPJNQTJVUEY-GOSISDBHSA-N 1 0 324.424 3.024 10 0 DGAERO Cn1nccc1C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000152216110 196789143 /nfs/dbraw/zinc/78/91/43/196789143.db2.gz CZHGXOWHUQZRKJ-CQSZACIVSA-N 1 0 311.307 3.096 10 0 DGAERO Cc1cccc(C2(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)CCCCC2)c1 ZINC000152089380 196770144 /nfs/dbraw/zinc/77/01/44/196770144.db2.gz JIIGQVHOTOXCDY-SJLPKXTDSA-N 1 0 314.473 3.441 10 0 DGAERO Cc1cccnc1CC[NH2+]Cc1cccc(Br)c1 ZINC000294925889 224315610 /nfs/dbraw/zinc/31/56/10/224315610.db2.gz FWUZQBOYGSVLOS-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO Cc1nccc([C@@H]2C[C@H]3CC[N@H+](Cc4ccsc4)C[C@@H]3O2)n1 ZINC000247973550 257113289 /nfs/dbraw/zinc/11/32/89/257113289.db2.gz UFQJPTOBGCWOTG-PVAVHDDUSA-N 1 0 315.442 3.199 10 0 DGAERO c1csc(C[N@H+]2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)c1 ZINC000247894888 257115417 /nfs/dbraw/zinc/11/54/17/257115417.db2.gz UQOWGYIJVJDZDZ-XIRDDKMYSA-N 1 0 307.459 3.297 10 0 DGAERO CC[C@H]1CN(C/C(C)=C/c2ccccc2)CC[N@@H+]1CCOC ZINC000120947540 195270155 /nfs/dbraw/zinc/27/01/55/195270155.db2.gz MRUAHIVPMRZPPK-FLXZHSAZSA-N 1 0 302.462 3.133 10 0 DGAERO C[C@@H]1CCC[C@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000121030631 195283143 /nfs/dbraw/zinc/28/31/43/195283143.db2.gz ANIFLDJHSXTZPG-HIFRSBDPSA-N 1 0 306.425 3.330 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000121652805 195324321 /nfs/dbraw/zinc/32/43/21/195324321.db2.gz YUZYIZUYSOXKIN-GJZGRUSLSA-N 1 0 321.465 3.491 10 0 DGAERO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccnn1C ZINC000121889641 195369246 /nfs/dbraw/zinc/36/92/46/195369246.db2.gz HXQNWJILMWAATE-OAHLLOKOSA-N 1 0 305.809 3.385 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc(C)c3C)C2)n1 ZINC000121951946 195380015 /nfs/dbraw/zinc/38/00/15/195380015.db2.gz FQECYZNDDZNTLB-SFHVURJKSA-N 1 0 312.461 3.424 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(-c2cccnc2)cc1 ZINC000121965302 195383427 /nfs/dbraw/zinc/38/34/27/195383427.db2.gz IZUHUJBVAUICGR-ABAIWWIYSA-N 1 0 310.319 3.322 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCn2nc(COC)nc21)C1CCCCC1 ZINC000125394196 195744939 /nfs/dbraw/zinc/74/49/39/195744939.db2.gz XGOPJPGOGBDLPF-HUUCEWRRSA-N 1 0 306.454 3.208 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]Cc1cc(C(N)=O)co1 ZINC000494452002 533381312 /nfs/dbraw/zinc/38/13/12/533381312.db2.gz IEAGUFGHOHBHIB-WDZFZDKYSA-N 1 0 304.777 3.225 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)s1 ZINC000154538197 533418642 /nfs/dbraw/zinc/41/86/42/533418642.db2.gz ZJUGVBHHVDJJPI-ZJUUUORDSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CCCC1 ZINC000172234065 533588026 /nfs/dbraw/zinc/58/80/26/533588026.db2.gz CNNYQEXLEMYUQB-RDJZCZTQSA-N 1 0 307.482 3.225 10 0 DGAERO C[C@@H](CCCO)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000294845245 533559865 /nfs/dbraw/zinc/55/98/65/533559865.db2.gz RNEYOPUSVUSWLM-JTQLQIEISA-N 1 0 304.203 3.086 10 0 DGAERO c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000315445049 285459879 /nfs/dbraw/zinc/45/98/79/285459879.db2.gz VUXDZNJNFOPETG-DZGCQCFKSA-N 1 0 314.458 3.174 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCc3n[nH]cc3C1)CCCO2 ZINC000090454350 292010370 /nfs/dbraw/zinc/01/03/70/292010370.db2.gz MWPPPULYPODDNZ-MAUKXSAKSA-N 1 0 311.429 3.387 10 0 DGAERO COC1([C@@H](C)[NH2+]CCCO[C@H](C)c2ccccc2)CCOCC1 ZINC000453088679 292134991 /nfs/dbraw/zinc/13/49/91/292134991.db2.gz OLRICYFYWKBJQD-IAGOWNOFSA-N 1 0 321.461 3.328 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCCC2CC2)C1 ZINC000608690330 400103699 /nfs/dbraw/zinc/10/36/99/400103699.db2.gz XJPPOSAVDOCKIX-GOSISDBHSA-N 1 0 315.461 3.093 10 0 DGAERO CCn1c2ccccc2c2cc(C[N@H+](C)CCNC(C)=O)ccc21 ZINC000584854541 400116737 /nfs/dbraw/zinc/11/67/37/400116737.db2.gz QDCUVGJHGVVXES-UHFFFAOYSA-N 1 0 323.440 3.382 10 0 DGAERO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCn2ccccc2=O)o1 ZINC000608510973 400083893 /nfs/dbraw/zinc/08/38/93/400083893.db2.gz UROZYDYMITYEJN-WBVHZDCISA-N 1 0 314.429 3.477 10 0 DGAERO c1ccc(C[N@@H+]2CCOC[C@@H](c3cnnc4ccccc43)C2)cc1 ZINC000616596902 400180363 /nfs/dbraw/zinc/18/03/63/400180363.db2.gz DQVIZVWAVKABPJ-KRWDZBQOSA-N 1 0 319.408 3.246 10 0 DGAERO CC(=O)Nc1ccc([C@@H]2CCc3ccccc3N2CC[NH3+])cc1 ZINC000616592755 400180458 /nfs/dbraw/zinc/18/04/58/400180458.db2.gz HNYXZHDLKLGUMA-IBGZPJMESA-N 1 0 309.413 3.098 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2cccc3ccncc32)cc1 ZINC000616602566 400181448 /nfs/dbraw/zinc/18/14/48/400181448.db2.gz LOMXLBGJJCURIL-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2ccc3cnccc3c2)cc1 ZINC000616602726 400181772 /nfs/dbraw/zinc/18/17/72/400181772.db2.gz AXEJSKUUJWPOHG-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CCOC(=O)c1ccccc1[C@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616597193 400182060 /nfs/dbraw/zinc/18/20/60/400182060.db2.gz BLMYRBZBCDBTLB-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO CC(=O)N(C[C@H]1CCC[N@H+]1Cc1cccc(C(C)C)n1)C1CC1 ZINC000328629727 400182377 /nfs/dbraw/zinc/18/23/77/400182377.db2.gz IOURBXIFSJNKNU-GOSISDBHSA-N 1 0 315.461 3.180 10 0 DGAERO C[N@@H+](Cc1cccc(Cl)c1F)C[C@@H]1CCc2nccn2C1 ZINC000328656602 400184232 /nfs/dbraw/zinc/18/42/32/400184232.db2.gz ZMBFNWLNOGSSEJ-LBPRGKRZSA-N 1 0 307.800 3.370 10 0 DGAERO CNc1cccc([C@H]2CC[N@H+](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000616612031 400184685 /nfs/dbraw/zinc/18/46/85/400184685.db2.gz KAGDUFPGFKXRCA-HNNXBMFYSA-N 1 0 319.449 3.042 10 0 DGAERO C[C@@H]1Cc2ccsc2[C@@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000584883857 400121055 /nfs/dbraw/zinc/12/10/55/400121055.db2.gz SEERTPPSSYVTKR-BZNIZROVSA-N 1 0 308.447 3.118 10 0 DGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000091480054 400122577 /nfs/dbraw/zinc/12/25/77/400122577.db2.gz AVMFBAKIRRWUKW-NSHDSACASA-N 1 0 300.324 3.342 10 0 DGAERO C[C@H]1CS[C@@H](c2cccc(I)c2)[NH2+]1 ZINC000306651874 400125593 /nfs/dbraw/zinc/12/55/93/400125593.db2.gz SLYPUXZZJUPEAC-XVKPBYJWSA-N 1 0 305.184 3.015 10 0 DGAERO CC(C)(C[NH+]1CCCC1)Nc1ncc(Br)cc1F ZINC000308663569 400130022 /nfs/dbraw/zinc/13/00/22/400130022.db2.gz DUOHSFFQESBDKO-UHFFFAOYSA-N 1 0 316.218 3.270 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856494 400138791 /nfs/dbraw/zinc/13/87/91/400138791.db2.gz FORLJMICWXVJKG-WMZOPIPTSA-N 1 0 319.470 3.182 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](C(F)(F)F)C1 ZINC000616627481 400187586 /nfs/dbraw/zinc/18/75/86/400187586.db2.gz HDUFUMUIUKGBFW-LLVKDONJSA-N 1 0 310.360 3.176 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cc(C)ccn1)c1ccccc1 ZINC000616771625 400222471 /nfs/dbraw/zinc/22/24/71/400222471.db2.gz NAOWWJPECMZHNY-QGZVFWFLSA-N 1 0 312.413 3.420 10 0 DGAERO c1ccc([C@H]2OCC[C@@H]2C[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000093076843 400224525 /nfs/dbraw/zinc/22/45/25/400224525.db2.gz OOVYBKPGPMZVAB-RDTXWAMCSA-N 1 0 314.454 3.499 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2C[N@H+](C)CCCO2)cc1 ZINC000616651564 400192531 /nfs/dbraw/zinc/19/25/31/400192531.db2.gz NIXPDDCBAZYYMX-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1COCCC[NH2+]1 ZINC000616645790 400192703 /nfs/dbraw/zinc/19/27/03/400192703.db2.gz AVQCLAVMAHMLPN-AWEZNQCLSA-N 1 0 306.406 3.109 10 0 DGAERO OCCc1cccc([C@@H]2COCCC[N@@H+]2Cc2ccccc2)c1 ZINC000616647931 400193264 /nfs/dbraw/zinc/19/32/64/400193264.db2.gz PCDOCWDUOMJTRD-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO C[N@@H+]1CCCOC[C@H]1c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000616649568 400193305 /nfs/dbraw/zinc/19/33/05/400193305.db2.gz KXSQZNREDUFGBS-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO Brc1cnccc1CSCC1CC[NH2+]CC1 ZINC000600966052 400195847 /nfs/dbraw/zinc/19/58/47/400195847.db2.gz GKSBUKFMOMNIIK-UHFFFAOYSA-N 1 0 301.253 3.077 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1ccc2nnccc2c1 ZINC000616667591 400196788 /nfs/dbraw/zinc/19/67/88/400196788.db2.gz DWRVZPPSJWCGMO-LJQANCHMSA-N 1 0 304.397 3.082 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1cnc2ccccc2c1 ZINC000616679280 400200490 /nfs/dbraw/zinc/20/04/90/400200490.db2.gz SNHMQPFOHPYZNL-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO CCOC(=O)c1cccc([C@@H]2CCN(CC[NH3+])c3ccccc32)c1 ZINC000616676052 400200528 /nfs/dbraw/zinc/20/05/28/400200528.db2.gz WICFJRKTGAFLHU-KRWDZBQOSA-N 1 0 324.424 3.164 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cccc2ccncc21 ZINC000616682243 400201862 /nfs/dbraw/zinc/20/18/62/400201862.db2.gz HGWMVGOKIULZBR-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccc3ccccc3n2)Nc2ccccc21 ZINC000616682508 400203388 /nfs/dbraw/zinc/20/33/88/400203388.db2.gz CCHUVGPUBQXXFZ-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO C[NH+](C)CC(C)(C)CNCc1ccsc1Br ZINC000388971596 400267915 /nfs/dbraw/zinc/26/79/15/400267915.db2.gz KEGGBAWSDJDOIU-UHFFFAOYSA-N 1 0 305.285 3.188 10 0 DGAERO C[C@]1(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCS1 ZINC000392896285 400278653 /nfs/dbraw/zinc/27/86/53/400278653.db2.gz LTCIIULRKOHCCO-QZTJIDSGSA-N 1 0 304.503 3.384 10 0 DGAERO Cc1noc(C)c1C[N@@H+]1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000097941078 400287533 /nfs/dbraw/zinc/28/75/33/400287533.db2.gz LKOUGKNOJJMMKW-HNNXBMFYSA-N 1 0 324.384 3.331 10 0 DGAERO C[C@H]1C[C@H](NCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000404428540 400295572 /nfs/dbraw/zinc/29/55/72/400295572.db2.gz GFCKRWUEIBKBKE-GOEBONIOSA-N 1 0 301.459 3.286 10 0 DGAERO COc1ccc(C[NH2+]Cc2ccns2)cc1Br ZINC000404257665 400295944 /nfs/dbraw/zinc/29/59/44/400295944.db2.gz BOYFJSYEYQOYBM-UHFFFAOYSA-N 1 0 313.220 3.204 10 0 DGAERO Cc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1ccccc1C ZINC000102683830 400303011 /nfs/dbraw/zinc/30/30/11/400303011.db2.gz ICURLLSHWJLFKU-QGZVFWFLSA-N 1 0 310.441 3.313 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccncc1 ZINC000610831176 400312396 /nfs/dbraw/zinc/31/23/96/400312396.db2.gz ICPAHZASZVQICE-HKZYLEAXSA-N 1 0 302.443 3.273 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc([S@](C)=O)cc1 ZINC000610831177 400312433 /nfs/dbraw/zinc/31/24/33/400312433.db2.gz ICPAHZASZVQICE-LKBUQDJMSA-N 1 0 302.443 3.273 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]CCN1CCCCC1)c1ccccc1 ZINC000611404837 400394669 /nfs/dbraw/zinc/39/46/69/400394669.db2.gz RVOJIQJCIHIXPN-QGZVFWFLSA-N 1 0 318.461 3.002 10 0 DGAERO NC(=[NH2+])c1cccnc1Oc1ccc(Br)cc1F ZINC000034957339 400386659 /nfs/dbraw/zinc/38/66/59/400386659.db2.gz IDDNESNJXXTPAR-UHFFFAOYSA-N 1 0 310.126 3.060 10 0 DGAERO O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917455 400394824 /nfs/dbraw/zinc/39/48/24/400394824.db2.gz LFDGSTUSHLJPNP-SWLSCSKDSA-N 1 0 307.825 3.336 10 0 DGAERO [NH3+]C1CCC(C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000037623288 400394875 /nfs/dbraw/zinc/39/48/75/400394875.db2.gz AEMQNBKMOJNEJX-UHFFFAOYSA-N 1 0 315.244 3.170 10 0 DGAERO Cc1ccc([C@@H]([NH2+]C[C@H]2CN(C)CCO2)c2ccccc2)cc1 ZINC000106388102 400326548 /nfs/dbraw/zinc/32/65/48/400326548.db2.gz QXKUEQWFHUEKKS-PMACEKPBSA-N 1 0 310.441 3.005 10 0 DGAERO CC(C)Oc1cc(CN2CCC([NH3+])CC2)cc(OC(C)C)c1 ZINC000116993989 400414247 /nfs/dbraw/zinc/41/42/47/400414247.db2.gz FNDZQTXBVKWIGL-UHFFFAOYSA-N 1 0 306.450 3.184 10 0 DGAERO c1nc(CN2CC[NH2+]Cc3cc(-c4ccccc4)ccc32)c[nH]1 ZINC000039004130 400397410 /nfs/dbraw/zinc/39/74/10/400397410.db2.gz BSFGONOQGHCRGP-UHFFFAOYSA-N 1 0 304.397 3.187 10 0 DGAERO CC[C@H](C)[C@H](N)C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000039130074 400397555 /nfs/dbraw/zinc/39/75/55/400397555.db2.gz LYHNXPARYPKJTB-ILRDRHFLSA-N 1 0 304.478 3.365 10 0 DGAERO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cccc(Cl)c1 ZINC000117714473 400420720 /nfs/dbraw/zinc/42/07/20/400420720.db2.gz MQSOIIOESHSLCV-INIZCTEOSA-N 1 0 316.788 3.253 10 0 DGAERO CC1([NH2+]Cc2ccc(I)o2)CCCC1 ZINC000042176923 400425642 /nfs/dbraw/zinc/42/56/42/400425642.db2.gz OOPSWJMLGLLEDE-UHFFFAOYSA-N 1 0 305.159 3.307 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)CSC)c1ccccc1Cl ZINC000041949075 400418472 /nfs/dbraw/zinc/41/84/72/400418472.db2.gz BHKQRWHIEYDBNN-CQSZACIVSA-N 1 0 314.882 3.202 10 0 DGAERO C[C@@H](O)CN1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C[C@H]1C ZINC000119143766 400433969 /nfs/dbraw/zinc/43/39/69/400433969.db2.gz UEXTWGFSMHNSHG-MRLCAUJQSA-N 1 0 310.526 3.226 10 0 DGAERO Cc1noc([C@@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000590819090 400441985 /nfs/dbraw/zinc/44/19/85/400441985.db2.gz JBWRAKHTXPSJSJ-GDBMZVCRSA-N 1 0 306.454 3.027 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ncccn2)cc1 ZINC000073387221 400447893 /nfs/dbraw/zinc/44/78/93/400447893.db2.gz LGSPMVLHNBHDEA-KBPBESRZSA-N 1 0 312.417 3.278 10 0 DGAERO Cc1ncccc1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000590881319 400453606 /nfs/dbraw/zinc/45/36/06/400453606.db2.gz KKOBLHRZNCJENC-LJQANCHMSA-N 1 0 312.413 3.238 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)C(C)(C)C ZINC000074318255 400504952 /nfs/dbraw/zinc/50/49/52/400504952.db2.gz UMFULYINXBEJBU-SNVBAGLBSA-N 1 0 300.349 3.251 10 0 DGAERO CSCCCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000128203058 400512139 /nfs/dbraw/zinc/51/21/39/400512139.db2.gz QIMDJARDRBNLJP-AWEZNQCLSA-N 1 0 310.463 3.066 10 0 DGAERO CN(C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000073903212 400477573 /nfs/dbraw/zinc/47/75/73/400477573.db2.gz HYKBAZGWJHGLPS-QGZVFWFLSA-N 1 0 315.461 3.093 10 0 DGAERO CCOC(=O)c1ncc(C[N@@H+]2CCCC[C@H](SC)C2)s1 ZINC000602800143 400576879 /nfs/dbraw/zinc/57/68/79/400576879.db2.gz VKFIGXJQVNFNKV-NSHDSACASA-N 1 0 314.476 3.037 10 0 DGAERO CCc1cnc(CC[NH2+][C@@H](COC)Cc2ccccc2)s1 ZINC000130288036 400536412 /nfs/dbraw/zinc/53/64/12/400536412.db2.gz OWTBZFMUVOUVBK-OAHLLOKOSA-N 1 0 304.459 3.095 10 0 DGAERO C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000074792594 400537859 /nfs/dbraw/zinc/53/78/59/400537859.db2.gz MGSNSCNUXPOACF-WZYMTQMTSA-N 1 0 313.445 3.335 10 0 DGAERO C[NH+]1CCC([C@@H](O)c2ncccc2CCc2ccccc2)CC1 ZINC000143763856 400637908 /nfs/dbraw/zinc/63/79/08/400637908.db2.gz FLRYTDWPOBHMTR-HXUWFJFHSA-N 1 0 310.441 3.242 10 0 DGAERO Cc1cc(Br)c(NCCC[NH3+])c(Br)c1 ZINC000135268413 400584971 /nfs/dbraw/zinc/58/49/71/400584971.db2.gz HHGURXZXGBENGP-UHFFFAOYSA-N 1 0 322.044 3.281 10 0 DGAERO CCOC(=O)c1ncc(C[NH2+][C@H]2CCC[C@H]2SCC)s1 ZINC000602829466 400585833 /nfs/dbraw/zinc/58/58/33/400585833.db2.gz IYSPNYDGNLDNSB-NWDGAFQWSA-N 1 0 314.476 3.084 10 0 DGAERO CCOC(=O)C[C@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000137196856 400594427 /nfs/dbraw/zinc/59/44/27/400594427.db2.gz ZMZLNHZMWFCZBI-JTQLQIEISA-N 1 0 306.587 3.056 10 0 DGAERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282714652 296592233 /nfs/dbraw/zinc/59/22/33/296592233.db2.gz LQUYKOOUVFRMJP-GDBMZVCRSA-N 1 0 302.418 3.104 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000157655006 400718700 /nfs/dbraw/zinc/71/87/00/400718700.db2.gz KFQYKWWXXUYWDJ-UHFFFAOYSA-N 1 0 315.461 3.419 10 0 DGAERO CN(Cc1ccc(Cl)nc1Cl)C[C@@H](O)CC(F)(F)F ZINC000166572217 400754016 /nfs/dbraw/zinc/75/40/16/400754016.db2.gz YCGXAIHQKIOCGQ-QMMMGPOBSA-N 1 0 317.138 3.134 10 0 DGAERO CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)c1nccs1 ZINC000159121720 400728792 /nfs/dbraw/zinc/72/87/92/400728792.db2.gz VVBWERQSVBKKSB-ZIAGYGMSSA-N 1 0 324.494 3.014 10 0 DGAERO [NH2+]=C1NC[C@H](c2ccc(F)c(Cl)c2)N1Cc1ccccc1 ZINC000164709940 400750359 /nfs/dbraw/zinc/75/03/59/400750359.db2.gz XIZWJAKBAALUMY-OAHLLOKOSA-N 1 0 303.768 3.351 10 0 DGAERO Cc1ccc(NC(=O)N[C@@H](C)C(C)C)c(OCC[NH+](C)C)c1 ZINC000154671464 400696835 /nfs/dbraw/zinc/69/68/35/400696835.db2.gz MZRICPNQYCOARI-AWEZNQCLSA-N 1 0 307.438 3.101 10 0 DGAERO C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1cccs1 ZINC000156732174 400713362 /nfs/dbraw/zinc/71/33/62/400713362.db2.gz ZMLODIQCRXNKPB-ZBFHGGJFSA-N 1 0 316.470 3.141 10 0 DGAERO CCc1ccc(CC[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000604383695 400771484 /nfs/dbraw/zinc/77/14/84/400771484.db2.gz DKKOHEGGCFQCJW-FQEVSTJZSA-N 1 0 322.452 3.355 10 0 DGAERO c1ccc2cc(OCCCN3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000170777343 400773803 /nfs/dbraw/zinc/77/38/03/400773803.db2.gz CADNDPRDJGMJQQ-UHFFFAOYSA-N 1 0 310.441 3.389 10 0 DGAERO CCc1nnc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)n1C ZINC000170835582 400776276 /nfs/dbraw/zinc/77/62/76/400776276.db2.gz GUOGDPDOFBHGLL-QLFDAEIZSA-N 1 0 302.466 3.072 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000170835184 400776786 /nfs/dbraw/zinc/77/67/86/400776786.db2.gz LZVBUKKOTXMQLB-RHSMWYFYSA-N 1 0 315.461 3.145 10 0 DGAERO c1cc2c(s1)CC[N@@H+](CCNc1ncnc3ccccc31)C2 ZINC000053580126 400791581 /nfs/dbraw/zinc/79/15/81/400791581.db2.gz DZKFAGNHGYOYNB-UHFFFAOYSA-N 1 0 310.426 3.162 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000605690336 400883425 /nfs/dbraw/zinc/88/34/25/400883425.db2.gz MLXGRBPHDRGYTQ-QGPMSJSTSA-N 1 0 318.436 3.405 10 0 DGAERO CC(C)[C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000172500422 400830901 /nfs/dbraw/zinc/83/09/01/400830901.db2.gz VVCUUDKIIOLPEE-QGZVFWFLSA-N 1 0 317.477 3.196 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000172685296 400837088 /nfs/dbraw/zinc/83/70/88/400837088.db2.gz BFZUEEJPHWLGHO-MRXNPFEDSA-N 1 0 309.841 3.265 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000606646089 400937958 /nfs/dbraw/zinc/93/79/58/400937958.db2.gz PRSGRKUDEQZZPY-IRXDYDNUSA-N 1 0 317.477 3.130 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000606700875 400949748 /nfs/dbraw/zinc/94/97/48/400949748.db2.gz RIAWGCOBGDWWSB-HZPDHXFCSA-N 1 0 317.477 3.128 10 0 DGAERO CCc1nc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)sc1C ZINC000181994746 400891286 /nfs/dbraw/zinc/89/12/86/400891286.db2.gz NCXQNIRUAILDER-STQMWFEESA-N 1 0 322.478 3.104 10 0 DGAERO C[NH+](C)C1(CNC(=O)CC/C=C\c2ccccc2)CCCC1 ZINC000606353229 400901448 /nfs/dbraw/zinc/90/14/48/400901448.db2.gz SKVUVAZTZSMDIB-SDQBBNPISA-N 1 0 300.446 3.471 10 0 DGAERO COc1ccc(CC[NH2+]Cc2nc3ccccc3o2)cc1OC ZINC000606374735 400904535 /nfs/dbraw/zinc/90/45/35/400904535.db2.gz MZVNHLWULDHWLY-UHFFFAOYSA-N 1 0 312.369 3.177 10 0 DGAERO c1cncc([C@H]([NH2+]CCCO[C@@H]2CCOC2)C2CCCCC2)c1 ZINC000606432916 400910036 /nfs/dbraw/zinc/91/00/36/400910036.db2.gz XOOXQFPTYBHJFH-RTBURBONSA-N 1 0 318.461 3.488 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)C[C@@H]2C=CCC2)CC1 ZINC000198210936 400929072 /nfs/dbraw/zinc/92/90/72/400929072.db2.gz VJTOXCIXGCSABH-MRXNPFEDSA-N 1 0 313.445 3.123 10 0 DGAERO CC[NH+](CC)CCCNC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000606619191 400934040 /nfs/dbraw/zinc/93/40/40/400934040.db2.gz OWCKLGHBYXDKED-INIZCTEOSA-N 1 0 305.466 3.130 10 0 DGAERO CCCC(=O)N[C@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000080984443 401012941 /nfs/dbraw/zinc/01/29/41/401012941.db2.gz PTSAQKSBAZSNKC-AWEZNQCLSA-N 1 0 315.392 3.259 10 0 DGAERO Cc1cc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)c(C)[nH]1 ZINC000606814993 400963091 /nfs/dbraw/zinc/96/30/91/400963091.db2.gz JWBDOTBPQNGIET-UHFFFAOYSA-N 1 0 311.429 3.374 10 0 DGAERO Cc1ccccc1[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000247320916 401051173 /nfs/dbraw/zinc/05/11/73/401051173.db2.gz IAEVLBIPNMCWJG-WBVHZDCISA-N 1 0 303.450 3.038 10 0 DGAERO Cc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)N2CCCCCC2)cc1 ZINC000248040579 401064825 /nfs/dbraw/zinc/06/48/25/401064825.db2.gz VLHHVPDHFXCILG-KRWDZBQOSA-N 1 0 318.461 3.097 10 0 DGAERO CCCC[N@H+](C[C@H](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000248606328 401073153 /nfs/dbraw/zinc/07/31/53/401073153.db2.gz WITIXLBGHAXWMQ-AEFFLSMTSA-N 1 0 323.502 3.154 10 0 DGAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000248997152 401080745 /nfs/dbraw/zinc/08/07/45/401080745.db2.gz PJLJJDJYFDMVHF-OIISXLGYSA-N 1 0 302.462 3.100 10 0 DGAERO c1ccc(CC[C@@H]2CCC[N@H+]2CCOC2CCOCC2)cc1 ZINC000625088744 401028497 /nfs/dbraw/zinc/02/84/97/401028497.db2.gz FMKXCKYIVDONNZ-SFHVURJKSA-N 1 0 303.446 3.279 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000246527310 401031068 /nfs/dbraw/zinc/03/10/68/401031068.db2.gz XQOYSTNLXRZQSR-AEFFLSMTSA-N 1 0 317.477 3.052 10 0 DGAERO C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@@H](C)C1 ZINC000246925125 401040428 /nfs/dbraw/zinc/04/04/28/401040428.db2.gz NCUWQWLWLLNNIO-VQFNDLOPSA-N 1 0 321.509 3.329 10 0 DGAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000607660444 401102688 /nfs/dbraw/zinc/10/26/88/401102688.db2.gz NLRWBYKUTCIHQP-MEDUHNTESA-N 1 0 319.836 3.234 10 0 DGAERO CCO[C@H](CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CCCC1 ZINC000262458154 401116705 /nfs/dbraw/zinc/11/67/05/401116705.db2.gz JARSECBOYZYHRF-VSZNYVQBSA-N 1 0 322.493 3.009 10 0 DGAERO CCS[C@@H]1CCCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262472804 401117535 /nfs/dbraw/zinc/11/75/35/401117535.db2.gz OPZCQDMBACGCIC-FPCVCCKLSA-N 1 0 310.507 3.041 10 0 DGAERO C[C@H](O)CN(Cc1ccc(Br)c(F)c1F)C1CC1 ZINC000625519469 401147866 /nfs/dbraw/zinc/14/78/66/401147866.db2.gz OFYPQAHWFUOXSC-QMMMGPOBSA-N 1 0 320.177 3.073 10 0 DGAERO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000059581097 401094491 /nfs/dbraw/zinc/09/44/91/401094491.db2.gz IBJVGRQUNXINSR-SFHVURJKSA-N 1 0 310.397 3.187 10 0 DGAERO C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccco1 ZINC000607643220 401099057 /nfs/dbraw/zinc/09/90/57/401099057.db2.gz UUWRKIOFSRLISX-IAGOWNOFSA-N 1 0 318.461 3.498 10 0 DGAERO COC[C@@H]1CCCC[N@H+](Cc2ccncc2Br)C1 ZINC000625326800 401100218 /nfs/dbraw/zinc/10/02/18/401100218.db2.gz DIIGVTRYZCVELY-GFCCVEGCSA-N 1 0 313.239 3.093 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)Cc2cc3ccccc3o2)CC1 ZINC000607924251 401150631 /nfs/dbraw/zinc/15/06/31/401150631.db2.gz FSRMNGULRMNGGI-UHFFFAOYSA-N 1 0 314.429 3.214 10 0 DGAERO c1csc(CCC[NH2+]Cc2cnc(-c3ccccn3)s2)n1 ZINC000084663714 401152835 /nfs/dbraw/zinc/15/28/35/401152835.db2.gz XLBTWZIUJRNEPO-UHFFFAOYSA-N 1 0 316.455 3.384 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCC[NH+]1CCCC1 ZINC000358256573 286012811 /nfs/dbraw/zinc/01/28/11/286012811.db2.gz UFKNEXPAEKQAQQ-QGZVFWFLSA-N 1 0 318.461 3.179 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000630077533 401178020 /nfs/dbraw/zinc/17/80/20/401178020.db2.gz RVPLLGKNAUTULU-OXQOHEQNSA-N 1 0 314.473 3.308 10 0 DGAERO c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000630073114 401176346 /nfs/dbraw/zinc/17/63/46/401176346.db2.gz RCLWEWLVENQYOB-JQHSSLGASA-N 1 0 302.487 3.483 10 0 DGAERO COc1ccc(C[NH2+]CC[C@H]2CC2(F)F)c(Cl)c1OC ZINC000621378032 401192781 /nfs/dbraw/zinc/19/27/81/401192781.db2.gz MCQXZISQQAOQTI-JTQLQIEISA-N 1 0 305.752 3.492 10 0 DGAERO Cc1sc2ncnc(NCC[N@H+]3CC=C(C)CC3)c2c1C ZINC000358334364 286034911 /nfs/dbraw/zinc/03/49/11/286034911.db2.gz WZXAKXQPEHFYST-UHFFFAOYSA-N 1 0 302.447 3.372 10 0 DGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCSCC(F)(F)F)c1C ZINC000358329053 286033079 /nfs/dbraw/zinc/03/30/79/286033079.db2.gz NCBIOVYAJBHKIA-SECBINFHSA-N 1 0 309.401 3.466 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC000625830605 401228619 /nfs/dbraw/zinc/22/86/19/401228619.db2.gz NFZZOIMQXUHFEY-LDYMZIIASA-N 1 0 302.205 3.255 10 0 DGAERO C[C@H](O)[C@@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000089931739 401245790 /nfs/dbraw/zinc/24/57/90/401245790.db2.gz ZDNIONZFWKTYHN-NWDGAFQWSA-N 1 0 318.244 3.465 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](CC(C)C)CN(C)C)c2ccccc21 ZINC000621751591 401294529 /nfs/dbraw/zinc/29/45/29/401294529.db2.gz JMJJMXTVJBGZSM-FUHWJXTLSA-N 1 0 317.477 3.050 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2)[C@@H](C)O)c2ccccc21 ZINC000621764666 401297844 /nfs/dbraw/zinc/29/78/44/401297844.db2.gz KPKAFXPDUPOVQL-HEFCMCLBSA-N 1 0 324.424 3.196 10 0 DGAERO Brc1cnccc1CNc1cc2c(c[nH+]1)CCC2 ZINC000631145883 401407861 /nfs/dbraw/zinc/40/78/61/401407861.db2.gz SNFYCCRLDMUDDX-UHFFFAOYSA-N 1 0 304.191 3.340 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)n(CC2CCC2)n1 ZINC000631184120 401418895 /nfs/dbraw/zinc/41/88/95/401418895.db2.gz ISPWTQOMHLRAPF-MOPGFXCFSA-N 1 0 311.429 3.303 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000631222916 401429733 /nfs/dbraw/zinc/42/97/33/401429733.db2.gz WLQZUOWEJVRXRS-ILXRZTDVSA-N 1 0 303.203 3.205 10 0 DGAERO c1cc(-c2ccc(C[NH2+]CC3([C@H]4CCCCO4)CCC3)o2)n[nH]1 ZINC000631245472 401436596 /nfs/dbraw/zinc/43/65/96/401436596.db2.gz MKCPYFOVZQFKTM-QGZVFWFLSA-N 1 0 315.417 3.499 10 0 DGAERO Brc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)o1 ZINC000631252737 401438410 /nfs/dbraw/zinc/43/84/10/401438410.db2.gz CECBGTCNWXKWGV-OCCSQVGLSA-N 1 0 314.223 3.479 10 0 DGAERO C([NH2+][C@H](C1CCC1)[C@H]1CCCO1)c1nc2c(s1)CCCC2 ZINC000631256732 401438829 /nfs/dbraw/zinc/43/88/29/401438829.db2.gz WMWXKHSKRPUHDL-RHSMWYFYSA-N 1 0 306.475 3.459 10 0 DGAERO c1cc2c(nc(C3CC3)nc2N2CCC(c3ccncn3)CC2)[nH]1 ZINC000631299276 401447735 /nfs/dbraw/zinc/44/77/35/401447735.db2.gz SNZVZSVXAPZFAI-UHFFFAOYSA-N 1 0 320.400 3.009 10 0 DGAERO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC12CC[NH2+]CC2 ZINC000623056331 401459483 /nfs/dbraw/zinc/45/94/83/401459483.db2.gz WTEKBUJHLUNBBC-UHFFFAOYSA-N 1 0 314.216 3.353 10 0 DGAERO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1sccc1Br ZINC000631697763 401539072 /nfs/dbraw/zinc/53/90/72/401539072.db2.gz PMOMLOCFILVXJE-XPUUQOCRSA-N 1 0 314.195 3.177 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CCSC1 ZINC000631701174 401539494 /nfs/dbraw/zinc/53/94/94/401539494.db2.gz VUVLGAFCRPAQKO-ZZVYKPCYSA-N 1 0 310.260 3.182 10 0 DGAERO c1cn2c(n1)[C@@H](N[C@H]1CCCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000631679019 401532396 /nfs/dbraw/zinc/53/23/96/401532396.db2.gz HQPKAOZUFRAOKU-OALUTQOASA-N 1 0 324.472 3.362 10 0 DGAERO Cc1ncc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000628264436 401563569 /nfs/dbraw/zinc/56/35/69/401563569.db2.gz NTCVSZGZZRAVMM-SFHVURJKSA-N 1 0 313.445 3.373 10 0 DGAERO Brc1ccc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000631885901 401564051 /nfs/dbraw/zinc/56/40/51/401564051.db2.gz CLCVEJYMMABAMK-ZYHUDNBSSA-N 1 0 315.280 3.085 10 0 DGAERO CC[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)CO1 ZINC000623702070 401569889 /nfs/dbraw/zinc/56/98/89/401569889.db2.gz BLDQUHNTIKFEME-UWVGGRQHSA-N 1 0 320.177 3.384 10 0 DGAERO Fc1cccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1Br ZINC000623755134 401576536 /nfs/dbraw/zinc/57/65/36/401576536.db2.gz ZRKKNLSRQYPEHG-DGCLKSJQSA-N 1 0 314.198 3.245 10 0 DGAERO Fc1cccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1Br ZINC000623755135 401576755 /nfs/dbraw/zinc/57/67/55/401576755.db2.gz ZRKKNLSRQYPEHG-WCQYABFASA-N 1 0 314.198 3.245 10 0 DGAERO FC(F)(F)c1cc(C[NH2+]Cc2cnc3n2CCC3)cs1 ZINC000623777853 401578619 /nfs/dbraw/zinc/57/86/19/401578619.db2.gz UGYWSGMROJZSDA-UHFFFAOYSA-N 1 0 301.337 3.199 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000623824114 401583538 /nfs/dbraw/zinc/58/35/38/401583538.db2.gz YEHWXVKKUBWDLY-JGZJWPJOSA-N 1 0 302.187 3.103 10 0 DGAERO CC(=O)N(c1nc(C[NH2+]C[C@@H]2CCCC23CC3)cs1)C1CC1 ZINC000623824562 401583919 /nfs/dbraw/zinc/58/39/19/401583919.db2.gz JHDQBMJLVBCGSJ-ZDUSSCGKSA-N 1 0 319.474 3.328 10 0 DGAERO Cc1nn(C)c(C[NH2+]C[C@H]2CCCC23CC3)c1Br ZINC000623825466 401584067 /nfs/dbraw/zinc/58/40/67/401584067.db2.gz CQYFHVWBCCXWGQ-LLVKDONJSA-N 1 0 312.255 3.161 10 0 DGAERO FC(F)(F)c1cc(C[NH2+]CCO[C@@H]2CC2(F)F)cs1 ZINC000623564511 401547660 /nfs/dbraw/zinc/54/76/60/401547660.db2.gz GPHIXLBOIMSDNX-MRVPVSSYSA-N 1 0 301.280 3.281 10 0 DGAERO CSCc1ccccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358481865 286073536 /nfs/dbraw/zinc/07/35/36/286073536.db2.gz QIIZMYLNPWUFOZ-UHFFFAOYSA-N 1 0 319.474 3.323 10 0 DGAERO c1n[nH]nc1CNCc1cccc(OCCCc2ccccc2)c1 ZINC000623578135 401549734 /nfs/dbraw/zinc/54/97/34/401549734.db2.gz WKFVIVCGQVZSID-UHFFFAOYSA-N 1 0 322.412 3.106 10 0 DGAERO Cc1scc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000358570552 286096081 /nfs/dbraw/zinc/09/60/81/286096081.db2.gz JISNJOKOLULHFM-FRRDWIJNSA-N 1 0 308.491 3.461 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@H]2CCc3ncnn3C2)C2CCCC2)cc1 ZINC000188182480 292206057 /nfs/dbraw/zinc/20/60/57/292206057.db2.gz LIRVILHDFIKKDK-HKUYNNGSSA-N 1 0 310.445 3.422 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@H]1CCN(C2CC2)C1 ZINC000358758775 286145505 /nfs/dbraw/zinc/14/55/05/286145505.db2.gz YTOOAJZBLOKRKQ-KXBFYZLASA-N 1 0 322.456 3.076 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000358758772 286145582 /nfs/dbraw/zinc/14/55/82/286145582.db2.gz YTOOAJZBLOKRKQ-DNVCBOLYSA-N 1 0 322.456 3.076 10 0 DGAERO CC(C)n1c(SC[C@H](C)[NH+](C)C)nc2ccccc2c1=O ZINC000358851513 286169541 /nfs/dbraw/zinc/16/95/41/286169541.db2.gz CLKYDDLSADNFNZ-LBPRGKRZSA-N 1 0 305.447 3.020 10 0 DGAERO C[C@@H](CSc1nnc(C2CC2)n1-c1ccccc1)[NH+](C)C ZINC000358861158 286171748 /nfs/dbraw/zinc/17/17/48/286171748.db2.gz MTFZUQGHRJIZIQ-LBPRGKRZSA-N 1 0 302.447 3.187 10 0 DGAERO CCO[C@@H](CC[NH2+][C@H](C)C1(OC)CCOCC1)C1CCCC1 ZINC000453127383 286200376 /nfs/dbraw/zinc/20/03/76/286200376.db2.gz IYOJKFRQDXKGBT-WBVHZDCISA-N 1 0 313.482 3.146 10 0 DGAERO Cn1ccc([C@@H]([NH2+][C@H]2CCOC(C)(C)C2)c2ccc(F)cc2)n1 ZINC000359209210 286261548 /nfs/dbraw/zinc/26/15/48/286261548.db2.gz ILOFHPPOQCYYEX-RDJZCZTQSA-N 1 0 317.408 3.196 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000359389919 286298366 /nfs/dbraw/zinc/29/83/66/286298366.db2.gz OAMJJXJMKRTGIS-AXOLYNHLSA-N 1 0 308.853 3.308 10 0 DGAERO CCCN1CCC[C@@H]1C(=O)Nc1ncc(-c2ccccn2)s1 ZINC000359385659 286297404 /nfs/dbraw/zinc/29/74/04/286297404.db2.gz IMORDTXELZYDBZ-CYBMUJFWSA-N 1 0 316.430 3.018 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@H]2CCC(=O)N(C)C2)C2CCCC2)cc1 ZINC000188043578 292261066 /nfs/dbraw/zinc/26/10/66/292261066.db2.gz GPFRAUJQLYFUEC-PKOBYXMFSA-N 1 0 300.446 3.437 10 0 DGAERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1ccsc1C)c1ccco1 ZINC000359535447 286329422 /nfs/dbraw/zinc/32/94/22/286329422.db2.gz DAHWDHVNCIKIRA-DOMZBBRYSA-N 1 0 320.458 3.438 10 0 DGAERO C[C@@H]1CC[N@H+](CCC(=O)N2CCCCC2)[C@@H](c2ccco2)C1 ZINC000359614457 286347255 /nfs/dbraw/zinc/34/72/55/286347255.db2.gz ZABUFPMTRKPJIV-HZPDHXFCSA-N 1 0 304.434 3.455 10 0 DGAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ncc(Br)s2)C1(C)C ZINC000359931531 286390897 /nfs/dbraw/zinc/39/08/97/286390897.db2.gz KQFPUYSJCXOLNU-PPKCKEKNSA-N 1 0 319.268 3.055 10 0 DGAERO c1sc(C2CC2)nc1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000360273513 286453001 /nfs/dbraw/zinc/45/30/01/286453001.db2.gz HYURYLCUFUZRMD-CQSZACIVSA-N 1 0 316.426 3.340 10 0 DGAERO CCOc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171503843 286579107 /nfs/dbraw/zinc/57/91/07/286579107.db2.gz ZUEGLIWEIWLDHZ-HNNXBMFYSA-N 1 0 317.433 3.177 10 0 DGAERO CCS[C@H](C)c1noc(C[NH2+]C2(CCO)CCCCC2)n1 ZINC000362380164 286807860 /nfs/dbraw/zinc/80/78/60/286807860.db2.gz XJGZAFWWJWHZCO-GFCCVEGCSA-N 1 0 313.467 3.059 10 0 DGAERO CN1CCC[C@H](C[NH2+]C[C@H]2CCSC2)[C@H]1c1cccs1 ZINC000373301646 165936806 /nfs/dbraw/zinc/93/68/06/165936806.db2.gz UYCBYXAKRNDBRR-FMKPAKJESA-N 1 0 310.532 3.474 10 0 DGAERO C[NH+]1CCC(CC(=O)N2CC3(CCC3)c3c2cccc3F)CC1 ZINC000362713669 286853136 /nfs/dbraw/zinc/85/31/36/286853136.db2.gz FFULEYSCOPTROQ-UHFFFAOYSA-N 1 0 316.420 3.326 10 0 DGAERO C[C@@H]([NH2+]CC(C)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000497030735 287016990 /nfs/dbraw/zinc/01/69/90/287016990.db2.gz WADGDJVOBONYHH-NEPJUHHUSA-N 1 0 306.397 3.267 10 0 DGAERO C/C(=C\C(C)(C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000364388643 287021083 /nfs/dbraw/zinc/02/10/83/287021083.db2.gz VCRLZOPMCGVVCG-DVINNUGASA-N 1 0 304.478 3.454 10 0 DGAERO C[C@@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1nccn1C ZINC000182677917 287037588 /nfs/dbraw/zinc/03/75/88/287037588.db2.gz HJSFILWISUJUIF-SJLPKXTDSA-N 1 0 312.461 3.125 10 0 DGAERO COC1(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000364594965 287042515 /nfs/dbraw/zinc/04/25/15/287042515.db2.gz YDBHGSRJOJSQBI-QGZVFWFLSA-N 1 0 322.493 3.060 10 0 DGAERO CN(C(=O)Cc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000364648618 287048742 /nfs/dbraw/zinc/04/87/42/287048742.db2.gz RKBGRWGQCWHQKS-NSHDSACASA-N 1 0 315.244 3.136 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)CC2 ZINC000364767204 287059796 /nfs/dbraw/zinc/05/97/96/287059796.db2.gz FTHIHDSSQPADTH-MCIONIFRSA-N 1 0 303.450 3.333 10 0 DGAERO O=C1Nc2ccccc2[C@H]1CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000171130889 164621999 /nfs/dbraw/zinc/62/19/99/164621999.db2.gz NQWLQWBBJSJBNH-MRXNPFEDSA-N 1 0 305.381 3.384 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccncc1 ZINC000156760181 287069713 /nfs/dbraw/zinc/06/97/13/287069713.db2.gz DSTAQCPKPJJUQC-OCCSQVGLSA-N 1 0 303.356 3.289 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1ccccc1 ZINC000174988086 164745288 /nfs/dbraw/zinc/74/52/88/164745288.db2.gz SGRAMTWTBPGMPW-QZTJIDSGSA-N 1 0 300.446 3.095 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175282620 164752715 /nfs/dbraw/zinc/75/27/15/164752715.db2.gz BMCBCIZTRKWDJC-MRXNPFEDSA-N 1 0 317.408 3.397 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000180634397 164890594 /nfs/dbraw/zinc/89/05/94/164890594.db2.gz QYQSKXAWXXZTKJ-KGLIPLIRSA-N 1 0 314.433 3.076 10 0 DGAERO CCCc1cnc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000180829465 164895393 /nfs/dbraw/zinc/89/53/93/164895393.db2.gz PFDOFVWFCZYNOX-ZDUSSCGKSA-N 1 0 322.478 3.188 10 0 DGAERO COc1cc(Br)ccc1C[NH2+]C1(C)CCOCC1 ZINC000180972384 164900104 /nfs/dbraw/zinc/90/01/04/164900104.db2.gz RBBRGZYYSKFSMM-UHFFFAOYSA-N 1 0 314.223 3.116 10 0 DGAERO COCCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181304988 164909605 /nfs/dbraw/zinc/90/96/05/164909605.db2.gz IPWXMPMRDXWQOC-MRXNPFEDSA-N 1 0 314.433 3.078 10 0 DGAERO Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@H](CO)CC(C)C)cc2)n1 ZINC000185335511 165000908 /nfs/dbraw/zinc/00/09/08/165000908.db2.gz VGSWBWXAERVIJK-IBGZPJMESA-N 1 0 315.461 3.328 10 0 DGAERO C[C@H]([NH2+]CCCOCC(F)(F)F)[C@@H]1COc2ccccc21 ZINC000185562784 165007981 /nfs/dbraw/zinc/00/79/81/165007981.db2.gz LZZJEGCRJVCWFS-AAEUAGOBSA-N 1 0 303.324 3.110 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ncc(C(C)C)s2)C12CCOCC2 ZINC000185657097 165012432 /nfs/dbraw/zinc/01/24/32/165012432.db2.gz FXNAEBIWMONRHM-GJZGRUSLSA-N 1 0 324.490 3.330 10 0 DGAERO O=C(/C=C/c1ccc(Cl)s1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186509195 165046982 /nfs/dbraw/zinc/04/69/82/165046982.db2.gz LFWNYQCLPNUVPQ-LXSSAFMLSA-N 1 0 310.850 3.158 10 0 DGAERO Cc1c2cccc(C)c2oc1C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186534372 165048580 /nfs/dbraw/zinc/04/85/80/165048580.db2.gz XIBICRTZRCTLCX-CQSZACIVSA-N 1 0 312.413 3.406 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCSCC1)c1ccc(-n2cncn2)cc1 ZINC000186936877 165067563 /nfs/dbraw/zinc/06/75/63/165067563.db2.gz PYQJWJQAVUEAQE-ZIAGYGMSSA-N 1 0 316.474 3.450 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)N(C)CC1([NH+](C)C)CCC1 ZINC000186987973 165071550 /nfs/dbraw/zinc/07/15/50/165071550.db2.gz RGQGKYLWMVFCHZ-AWEZNQCLSA-N 1 0 314.433 3.214 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(c3ccsc3)CC2)C1 ZINC000186990095 165071637 /nfs/dbraw/zinc/07/16/37/165071637.db2.gz XMHILYRMCKPSLY-MRXNPFEDSA-N 1 0 321.490 3.121 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000187074629 165075103 /nfs/dbraw/zinc/07/51/03/165075103.db2.gz WPMNIGXSRZAZRL-OKDNKWQNSA-N 1 0 314.429 3.032 10 0 DGAERO Cc1nc([C@@H]2CCCN2C(=O)[C@H](C)[NH+]2CCCCCC2)cs1 ZINC000187137508 165079297 /nfs/dbraw/zinc/07/92/97/165079297.db2.gz KOLSAXXPAARFLY-BBRMVZONSA-N 1 0 321.490 3.380 10 0 DGAERO CC1(C)CC[C@@H](C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)O1 ZINC000187214631 165081539 /nfs/dbraw/zinc/08/15/39/165081539.db2.gz PUKIBKBZZZHPHS-KRWDZBQOSA-N 1 0 322.493 3.105 10 0 DGAERO CC(C)[C@@](C)(O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000187258655 165082435 /nfs/dbraw/zinc/08/24/35/165082435.db2.gz IPQNFLSFRHPZOB-SFHVURJKSA-N 1 0 301.434 3.149 10 0 DGAERO c1ccc(COCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000365053912 287091933 /nfs/dbraw/zinc/09/19/33/287091933.db2.gz LAAUOVMQGFVWFF-IPMKNSEASA-N 1 0 303.446 3.388 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccccc1)C(C)C)CC2 ZINC000187328731 165087743 /nfs/dbraw/zinc/08/77/43/165087743.db2.gz YRHVPEVCZOUOHC-SJORKVTESA-N 1 0 312.461 3.012 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C1CCSCC1 ZINC000187401255 165088523 /nfs/dbraw/zinc/08/85/23/165088523.db2.gz BAQFFOHXIGEHIF-UONOGXRCSA-N 1 0 316.474 3.450 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)c1cnn(C)c1 ZINC000187702868 165100788 /nfs/dbraw/zinc/10/07/88/165100788.db2.gz WKDFFPDJSZCOHX-VQIMIIECSA-N 1 0 312.461 3.125 10 0 DGAERO CCc1noc(C2CCC([NH2+]C[C@@H]3CCC(C)(C)O3)CC2)n1 ZINC000187843427 165103341 /nfs/dbraw/zinc/10/33/41/165103341.db2.gz VJXKDQKESUBINO-RUXDESIVSA-N 1 0 307.438 3.205 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000187966004 165106630 /nfs/dbraw/zinc/10/66/30/165106630.db2.gz ORRJAJYZSVKMBO-FZKQIMNGSA-N 1 0 318.392 3.464 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000188091067 165113599 /nfs/dbraw/zinc/11/35/99/165113599.db2.gz SFRKGFXQWRTSSM-ZIAGYGMSSA-N 1 0 321.490 3.007 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[C@@](C)(c3ccccc3)C1)CC2 ZINC000188183297 165115340 /nfs/dbraw/zinc/11/53/40/165115340.db2.gz TYWSBBBHYMNELU-MBOZVWFJSA-N 1 0 324.472 3.255 10 0 DGAERO CCc1ccc(-c2csc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)n2)cc1 ZINC000188205826 165116664 /nfs/dbraw/zinc/11/66/64/165116664.db2.gz HRQALHLFXWPKIK-QWHCGFSZSA-N 1 0 319.405 3.011 10 0 DGAERO O=C(CCCc1ccc2ccccc2c1)N1CC[NH+]2CCC1CC2 ZINC000188671933 165132803 /nfs/dbraw/zinc/13/28/03/165132803.db2.gz ZTMYUKHACUXHFO-UHFFFAOYSA-N 1 0 322.452 3.469 10 0 DGAERO Cc1cccc2nc(C3CC[NH+](Cc4cncnc4)CC3)oc21 ZINC000188885943 165141751 /nfs/dbraw/zinc/14/17/51/165141751.db2.gz CLEVDSGZYGXQAO-UHFFFAOYSA-N 1 0 308.385 3.306 10 0 DGAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000188949734 165143632 /nfs/dbraw/zinc/14/36/32/165143632.db2.gz LQWAYLJXMUZXPT-KRWDZBQOSA-N 1 0 320.396 3.394 10 0 DGAERO CC(C)CC[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189058547 165147733 /nfs/dbraw/zinc/14/77/33/165147733.db2.gz IBWXNKVLQNJSTN-YOEHRIQHSA-N 1 0 306.425 3.341 10 0 DGAERO CC(C)c1n[nH]cc1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000189214699 165154341 /nfs/dbraw/zinc/15/43/41/165154341.db2.gz DNQLRTKHZBXTBY-OKILXGFUSA-N 1 0 320.481 3.019 10 0 DGAERO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000189354588 165159246 /nfs/dbraw/zinc/15/92/46/165159246.db2.gz LJTJQVUULAIIRM-DLBZAZTESA-N 1 0 300.377 3.137 10 0 DGAERO Cn1cc(C[NH2+]C[C@H]2CCC(C)(C)O2)c(-c2cccs2)n1 ZINC000189714134 165174277 /nfs/dbraw/zinc/17/42/77/165174277.db2.gz DHPKHUWPOKBCCJ-CYBMUJFWSA-N 1 0 305.447 3.196 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC000189716205 165174861 /nfs/dbraw/zinc/17/48/61/165174861.db2.gz NWNIZUHVFDZOFZ-LLVKDONJSA-N 1 0 318.314 3.059 10 0 DGAERO Cc1nc([C@@H]2CCCN2CC(=O)NC2CCC(C)CC2)cs1 ZINC000189851206 165180358 /nfs/dbraw/zinc/18/03/58/165180358.db2.gz PSJDQRAZEOYJJS-PXCJXSSVSA-N 1 0 321.490 3.283 10 0 DGAERO c1csc(NC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)n1 ZINC000189953312 165183933 /nfs/dbraw/zinc/18/39/33/165183933.db2.gz DBJJJOWBUXBXNA-UHFFFAOYSA-N 1 0 315.442 3.155 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1O ZINC000190064829 165187858 /nfs/dbraw/zinc/18/78/58/165187858.db2.gz XHODKWSLUBWGEC-UGSOOPFHSA-N 1 0 300.377 3.090 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000190272310 165195166 /nfs/dbraw/zinc/19/51/66/165195166.db2.gz SYOAVECPZLNRQB-AWEZNQCLSA-N 1 0 323.506 3.110 10 0 DGAERO Cc1cc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)ccc1F ZINC000190291782 165197502 /nfs/dbraw/zinc/19/75/02/165197502.db2.gz FSQCSIKRDQHKEW-HOTGVXAUSA-N 1 0 305.418 3.404 10 0 DGAERO FC(F)SCc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)o1 ZINC000190337902 165199039 /nfs/dbraw/zinc/19/90/39/165199039.db2.gz ZREXMNJMDJLLQT-JHJVBQTASA-N 1 0 303.374 3.393 10 0 DGAERO CC[NH+](CC)CCCNC(=O)NCc1ccc(C2CC2)cc1 ZINC000190329670 165199261 /nfs/dbraw/zinc/19/92/61/165199261.db2.gz HXLXZSRVZPSRFN-UHFFFAOYSA-N 1 0 303.450 3.095 10 0 DGAERO CC[C@H]1CCC[C@@H](C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)C1 ZINC000190421219 165202843 /nfs/dbraw/zinc/20/28/43/165202843.db2.gz HVOGGRLJMZWWPR-XUWVNRHRSA-N 1 0 307.438 3.356 10 0 DGAERO COc1ccnc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1OC ZINC000190602248 165207740 /nfs/dbraw/zinc/20/77/40/165207740.db2.gz ANVFLIHUFSABNW-HNNXBMFYSA-N 1 0 320.433 3.022 10 0 DGAERO COc1ccnc(C[N@H+](CCc2nccs2)C(C)C)c1OC ZINC000190955883 165221897 /nfs/dbraw/zinc/22/18/97/165221897.db2.gz KOELMAIOIWPCMF-UHFFFAOYSA-N 1 0 321.446 3.008 10 0 DGAERO CCC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccsc1 ZINC000191204142 165235823 /nfs/dbraw/zinc/23/58/23/165235823.db2.gz CCLCXSCLHXTVHX-OAHLLOKOSA-N 1 0 313.430 3.355 10 0 DGAERO C[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@@H]1CO ZINC000191185091 165235923 /nfs/dbraw/zinc/23/59/23/165235923.db2.gz NZFIPUPRXXDRKI-SCLBCKFNSA-N 1 0 300.377 3.090 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@H](O)CC2CCCC2)c(OC)c1 ZINC000191226577 165238205 /nfs/dbraw/zinc/23/82/05/165238205.db2.gz ITRNEEXQFGOCMO-MRXNPFEDSA-N 1 0 307.434 3.077 10 0 DGAERO CC(C)(C)n1cc(CN2CCC[C@@H]2Cc2cccc(F)c2)nn1 ZINC000191260167 165240386 /nfs/dbraw/zinc/24/03/86/165240386.db2.gz SUFLJALNMLKDQF-QGZVFWFLSA-N 1 0 316.424 3.379 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1csc(Cl)c1)CC2 ZINC000191357487 165246278 /nfs/dbraw/zinc/24/62/78/165246278.db2.gz DZJMMLJUHNDAFP-MWLCHTKSSA-N 1 0 310.854 3.221 10 0 DGAERO CC[C@@H](C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)[NH+](C)C ZINC000191530260 165257680 /nfs/dbraw/zinc/25/76/80/165257680.db2.gz OUAMIYBNBFDXNV-LRDDRELGSA-N 1 0 310.388 3.011 10 0 DGAERO CC(C)(C)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685489 165265552 /nfs/dbraw/zinc/26/55/52/165265552.db2.gz HCKDVKXFDATJIR-UHFFFAOYSA-N 1 0 322.400 3.115 10 0 DGAERO Cc1c[nH+]ccc1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000192498874 165295327 /nfs/dbraw/zinc/29/53/27/165295327.db2.gz UAUJNHTYRDNPGF-GJZGRUSLSA-N 1 0 312.417 3.011 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+]([C@@H](C)c3nc(C)cc(=O)[nH]3)C2)n1 ZINC000192562464 165296773 /nfs/dbraw/zinc/29/67/73/165296773.db2.gz IYJWRLKFWAIRER-STQMWFEESA-N 1 0 318.446 3.196 10 0 DGAERO COc1cccc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)c1F ZINC000192704237 165302600 /nfs/dbraw/zinc/30/26/00/165302600.db2.gz FICIUWYPDQNMHO-IUODEOHRSA-N 1 0 301.361 3.489 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C2CCC2)c2ccc(F)cc2C1 ZINC000192735945 165303870 /nfs/dbraw/zinc/30/38/70/165303870.db2.gz MFUHRGNOZFRHJE-KPZWWZAWSA-N 1 0 304.409 3.397 10 0 DGAERO O=C1NCCCC[C@H]1[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000192802169 165306403 /nfs/dbraw/zinc/30/64/03/165306403.db2.gz LNNDAIZJZRWVLD-GOSISDBHSA-N 1 0 311.429 3.016 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccc(Cl)s1 ZINC000193114055 165318198 /nfs/dbraw/zinc/31/81/98/165318198.db2.gz XXAPJQBZKBNZJG-NSHDSACASA-N 1 0 300.855 3.311 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)s1 ZINC000193112330 165318276 /nfs/dbraw/zinc/31/82/76/165318276.db2.gz VBGUIFSPJOKWSP-MNOVXSKESA-N 1 0 300.855 3.311 10 0 DGAERO CC(C)(C)SCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193799373 165330648 /nfs/dbraw/zinc/33/06/48/165330648.db2.gz AIECKLVKXRIOLO-MRXNPFEDSA-N 1 0 320.502 3.156 10 0 DGAERO C[C@](O)(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(Cl)c1 ZINC000194178363 165339794 /nfs/dbraw/zinc/33/97/94/165339794.db2.gz TTYWRHDHQGUHCD-VQHPVUNQSA-N 1 0 321.848 3.095 10 0 DGAERO COC(=O)c1ccc(CN2CCC(c3nc(C)cs3)CC2)o1 ZINC000195320968 165364680 /nfs/dbraw/zinc/36/46/80/165364680.db2.gz HXDDRPKJVOHAHQ-UHFFFAOYSA-N 1 0 320.414 3.211 10 0 DGAERO Cc1csc([C@H]2CCCN(Cc3nccn3C(F)F)C2)n1 ZINC000195323193 165364836 /nfs/dbraw/zinc/36/48/36/165364836.db2.gz COHBCPZFQKMHIK-NSHDSACASA-N 1 0 312.389 3.423 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000195332632 165365213 /nfs/dbraw/zinc/36/52/13/165365213.db2.gz WJRCQQUEEVFPHO-KBPBESRZSA-N 1 0 321.490 3.078 10 0 DGAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)sc2cccc(F)c12 ZINC000195319102 165365327 /nfs/dbraw/zinc/36/53/27/165365327.db2.gz DCMNUMZRSRJXMJ-LBPRGKRZSA-N 1 0 318.417 3.269 10 0 DGAERO CCc1csc([C@@H]2CCCN(Cc3nnc(C)n3CC)C2)n1 ZINC000195384510 165368488 /nfs/dbraw/zinc/36/84/88/165368488.db2.gz IJEPKBKEMVRNBI-CYBMUJFWSA-N 1 0 319.478 3.005 10 0 DGAERO CC(C)(C)c1csc([C@@H]2CN(C[C@@H]3CCCCO3)CCO2)n1 ZINC000195400844 165368729 /nfs/dbraw/zinc/36/87/29/165368729.db2.gz WGNCLTQLJNSSHL-KBPBESRZSA-N 1 0 324.490 3.383 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC[C@@H]3C)C2)n1 ZINC000195441168 165370705 /nfs/dbraw/zinc/37/07/05/165370705.db2.gz RSPGFILZHSUSQX-LSDHHAIUSA-N 1 0 321.490 3.032 10 0 DGAERO CN1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000225264613 165382206 /nfs/dbraw/zinc/38/22/06/165382206.db2.gz JTCWZVKQLNFREO-LBPRGKRZSA-N 1 0 317.658 3.286 10 0 DGAERO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CCO)C3)cs2)cc1 ZINC000227569659 165387462 /nfs/dbraw/zinc/38/74/62/165387462.db2.gz PZIFFZVOCXVVQE-AWEZNQCLSA-N 1 0 302.443 3.323 10 0 DGAERO Cc1cccc(CN(Cc2ccccn2)C(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000237940856 165444148 /nfs/dbraw/zinc/44/41/48/165444148.db2.gz RCUJXWISFYMUNF-ROUUACIJSA-N 1 0 323.440 3.046 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)[C@@H]2CCO[C@H]21 ZINC000249390988 165673163 /nfs/dbraw/zinc/67/31/63/165673163.db2.gz FXFBTYFMPCLIJH-RCCFBDPRSA-N 1 0 301.430 3.379 10 0 DGAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000261845666 165755745 /nfs/dbraw/zinc/75/57/45/165755745.db2.gz PZUOXWXAVRAVHK-BQDHKBFISA-N 1 0 306.837 3.029 10 0 DGAERO Cc1ccc([C@@H]2CCCN2C(=O)CC[C@H]2CC[NH2+]C2)cc1C ZINC000261869257 165758932 /nfs/dbraw/zinc/75/89/32/165758932.db2.gz QJTCYNSSCOMPRM-WMZOPIPTSA-N 1 0 300.446 3.357 10 0 DGAERO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261876322 165759263 /nfs/dbraw/zinc/75/92/63/165759263.db2.gz ZSFDVTPUCQCFTB-NXEZZACHSA-N 1 0 314.216 3.067 10 0 DGAERO C[C@@H]1CCN(C(=O)c2cnc(-c3ccsc3)s2)[C@@H](C[NH3+])C1 ZINC000261905307 165763335 /nfs/dbraw/zinc/76/33/35/165763335.db2.gz WTEXZGRFJSMHNU-ZYHUDNBSSA-N 1 0 321.471 3.071 10 0 DGAERO CN(c1ccccc1)c1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cn1 ZINC000261991228 165774336 /nfs/dbraw/zinc/77/43/36/165774336.db2.gz SJEWLOIDBQNKFH-IBGZPJMESA-N 1 0 322.456 3.176 10 0 DGAERO CCc1ccc(C(C)(C)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261992901 165774992 /nfs/dbraw/zinc/77/49/92/165774992.db2.gz MXPJOSJUQYGGFT-MRXNPFEDSA-N 1 0 302.462 3.112 10 0 DGAERO CC1(C)CN(C(=O)CCc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000262022376 165777195 /nfs/dbraw/zinc/77/71/95/165777195.db2.gz OWEYTVOASWCIIF-SFHVURJKSA-N 1 0 310.441 3.358 10 0 DGAERO COc1ccccc1C1(c2nc(-c3ccc(C[NH3+])cc3)no2)CC1 ZINC000262066040 165783847 /nfs/dbraw/zinc/78/38/47/165783847.db2.gz RQFOBBFXDKRSFV-UHFFFAOYSA-N 1 0 321.380 3.284 10 0 DGAERO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262564395 165810809 /nfs/dbraw/zinc/81/08/09/165810809.db2.gz RIQLFOKSAWAYNE-JTQLQIEISA-N 1 0 315.244 3.197 10 0 DGAERO C[C@]1(c2ccccc2)CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263228922 165846660 /nfs/dbraw/zinc/84/66/60/165846660.db2.gz NCTDMHZIXPPKKL-YTQUADARSA-N 1 0 300.446 3.084 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)C1 ZINC000355422467 165918479 /nfs/dbraw/zinc/91/84/79/165918479.db2.gz ODEZELDONBSGMP-QNDJGXFYSA-N 1 0 300.446 3.027 10 0 DGAERO FC(F)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000365990708 287196426 /nfs/dbraw/zinc/19/64/26/287196426.db2.gz SJQOITMHEABTDG-GFCCVEGCSA-N 1 0 314.380 3.100 10 0 DGAERO C[C@H](CC[NH2+]Cc1nc(-c2ccccc2)cs1)[S@](C)=O ZINC000129337809 196040031 /nfs/dbraw/zinc/04/00/31/196040031.db2.gz LHIYYYKYNGDRDW-MPBGBICISA-N 1 0 308.472 3.057 10 0 DGAERO COC(=O)c1sccc1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000389664353 685195129 /nfs/dbraw/zinc/19/51/29/685195129.db2.gz CPBKIQIOHOUJMI-NSHDSACASA-N 1 0 303.374 3.450 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](C)c1ccc(F)cc1F ZINC000246657802 432152051 /nfs/dbraw/zinc/15/20/51/432152051.db2.gz KOKOCBJKCCDEMR-ZFWWWQNUSA-N 1 0 324.415 3.401 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000246672526 432152709 /nfs/dbraw/zinc/15/27/09/432152709.db2.gz YSMNWXYRKCOWMZ-KQCPESONSA-N 1 0 316.489 3.288 10 0 DGAERO Cc1oc2nc(C[N@H+]3CC[C@H](C)C[C@@H](C)C3)nc(N)c2c1C ZINC000246635476 432150671 /nfs/dbraw/zinc/15/06/71/432150671.db2.gz JHMKRTPAPIVDIO-WDEREUQCSA-N 1 0 302.422 3.290 10 0 DGAERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Cl)cc1F ZINC000246637027 432150812 /nfs/dbraw/zinc/15/08/12/432150812.db2.gz WMEABIKXSLJMCP-IAQYHMDHSA-N 1 0 312.816 3.200 10 0 DGAERO CC[N@H+](Cc1cn2cccnc2n1)Cc1c[nH]c2ccccc12 ZINC000190451526 432159775 /nfs/dbraw/zinc/15/97/75/432159775.db2.gz IBVVXZXTETYMGJ-UHFFFAOYSA-N 1 0 305.385 3.233 10 0 DGAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(SC(F)F)cc1 ZINC000129435526 196048181 /nfs/dbraw/zinc/04/81/81/196048181.db2.gz XJZGICSOOWBZBL-FOSCPWQOSA-N 1 0 312.385 3.014 10 0 DGAERO CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000190420637 432155741 /nfs/dbraw/zinc/15/57/41/432155741.db2.gz LLAKKQKJJCXYBI-OCCSQVGLSA-N 1 0 322.415 3.054 10 0 DGAERO CC[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccs1 ZINC000171653355 432156099 /nfs/dbraw/zinc/15/60/99/432156099.db2.gz UZVUYYKQBSBSDE-LSDHHAIUSA-N 1 0 321.490 3.469 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2ccccc2)n1C ZINC000246718311 432156915 /nfs/dbraw/zinc/15/69/15/432156915.db2.gz LFFGVJYGLFBEOV-WBVHZDCISA-N 1 0 323.440 3.001 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1c[nH]nc1C ZINC000190441893 432157351 /nfs/dbraw/zinc/15/73/51/432157351.db2.gz WNSDVNMQCYPVGU-JTQLQIEISA-N 1 0 324.222 3.340 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)s1 ZINC000246769347 432163145 /nfs/dbraw/zinc/16/31/45/432163145.db2.gz CBVSMXPVKMWGKD-CJNGLKHVSA-N 1 0 308.491 3.224 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(F)c2)[C@@H](C)C1 ZINC000246766119 432163846 /nfs/dbraw/zinc/16/38/46/432163846.db2.gz LMISUXBUVBTBJM-VBQJREDUSA-N 1 0 306.425 3.118 10 0 DGAERO CCc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000129533863 196056593 /nfs/dbraw/zinc/05/65/93/196056593.db2.gz XOJFLAICQNIVNT-YJBOKZPZSA-N 1 0 317.477 3.121 10 0 DGAERO CCCC[N@H+](C[C@@H](O)Cn1cccn1)[C@H](CC)c1ccccc1 ZINC000246807979 432166249 /nfs/dbraw/zinc/16/62/49/432166249.db2.gz UKTGKUHIVDNWKN-RTBURBONSA-N 1 0 315.461 3.497 10 0 DGAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1Cl ZINC000246821280 432168854 /nfs/dbraw/zinc/16/88/54/432168854.db2.gz CLNSCBISSHOCQR-RDBSUJKOSA-N 1 0 321.852 3.279 10 0 DGAERO Clc1ccc(C[NH2+][C@H]2CCCOC2)cc1Br ZINC000137079615 432170721 /nfs/dbraw/zinc/17/07/21/432170721.db2.gz BBCVHYHMGONPGU-JTQLQIEISA-N 1 0 304.615 3.371 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc2ccc(C)nc21 ZINC000246878827 432176921 /nfs/dbraw/zinc/17/69/21/432176921.db2.gz FREAHXWDYWDIAM-IRXDYDNUSA-N 1 0 323.440 3.242 10 0 DGAERO CC[C@H]([NH2+]Cc1nc(-c2cccc(C)c2)no1)[C@@H]1CCCO1 ZINC000182309253 432177262 /nfs/dbraw/zinc/17/72/62/432177262.db2.gz ZWPCWVZMSYQFJZ-GJZGRUSLSA-N 1 0 301.390 3.092 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190658668 432180178 /nfs/dbraw/zinc/18/01/78/432180178.db2.gz COSIFPHMNXUIIG-STQMWFEESA-N 1 0 320.399 3.298 10 0 DGAERO CC1(C)[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)[C@@H]2CCCO[C@H]21 ZINC000246922986 432181255 /nfs/dbraw/zinc/18/12/55/432181255.db2.gz GCMFOGAQLFPKMU-LBRJOISOSA-N 1 0 305.393 3.443 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000246919662 432181582 /nfs/dbraw/zinc/18/15/82/432181582.db2.gz GQTNRYOZXKIDBO-OWCLPIDISA-N 1 0 302.466 3.250 10 0 DGAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000171899758 432181931 /nfs/dbraw/zinc/18/19/31/432181931.db2.gz ACZXEDCTCYLVMN-HZPDHXFCSA-N 1 0 321.852 3.281 10 0 DGAERO Cc1cc2cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)oc2cc1C ZINC000246930485 432181954 /nfs/dbraw/zinc/18/19/54/432181954.db2.gz RGUKBTFYHRXNQK-GDBMZVCRSA-N 1 0 312.413 3.358 10 0 DGAERO CC(C)(C)[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171901325 432182080 /nfs/dbraw/zinc/18/20/80/432182080.db2.gz UULOVKNHNUXLGQ-IAGOWNOFSA-N 1 0 315.461 3.263 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3)CC[C@H]21 ZINC000246855049 432173263 /nfs/dbraw/zinc/17/32/63/432173263.db2.gz CRJHNUGXYDBIAM-IUODEOHRSA-N 1 0 307.825 3.288 10 0 DGAERO CS[C@@H]1CCCC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000246936248 432183311 /nfs/dbraw/zinc/18/33/11/432183311.db2.gz TZBSRGFOGMKWHM-IUODEOHRSA-N 1 0 301.402 3.216 10 0 DGAERO C[C@@H](c1cccc(O)c1)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000171939371 432184039 /nfs/dbraw/zinc/18/40/39/432184039.db2.gz RWWJCYLCYPCKEN-NSHDSACASA-N 1 0 320.339 3.302 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(s1)CCCC2 ZINC000246955265 432184955 /nfs/dbraw/zinc/18/49/55/432184955.db2.gz MGIWNVUKCGLUOY-CABCVRRESA-N 1 0 318.486 3.326 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cccnc1 ZINC000171979804 432187173 /nfs/dbraw/zinc/18/71/73/432187173.db2.gz KMQJMKGCWKLPLG-INIZCTEOSA-N 1 0 319.408 3.142 10 0 DGAERO CC[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000246980217 432187286 /nfs/dbraw/zinc/18/72/86/432187286.db2.gz FKONXLBDKFGISM-ZIAGYGMSSA-N 1 0 320.399 3.299 10 0 DGAERO C[C@@H]1C[N@H+](CCc2cccnc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000247024729 432192488 /nfs/dbraw/zinc/19/24/88/432192488.db2.gz USFLBTZCTZJNLK-KDOFPFPSSA-N 1 0 300.377 3.225 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1Cc1cc(=O)n2c(C)csc2n1 ZINC000150748992 432187978 /nfs/dbraw/zinc/18/79/78/432187978.db2.gz YDLKTBPZGRVMLC-AWEZNQCLSA-N 1 0 305.447 3.219 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2csc([C@H](C)OC)n2)[C@H](C)C1 ZINC000246985208 432189045 /nfs/dbraw/zinc/18/90/45/432189045.db2.gz JUTXZZBGCVKYLV-IPYPFGDCSA-N 1 0 311.495 3.013 10 0 DGAERO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)Sc1ccccc1 ZINC000246938139 432182720 /nfs/dbraw/zinc/18/27/20/432182720.db2.gz WTLLADXXZRGQRQ-JHNDHUHGSA-N 1 0 318.486 3.204 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000172058185 432192988 /nfs/dbraw/zinc/19/29/88/432192988.db2.gz BFILLKWMLRMSNH-BPQIPLTHSA-N 1 0 312.457 3.192 10 0 DGAERO Cc1ccc(CCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)c1 ZINC000247033675 432194650 /nfs/dbraw/zinc/19/46/50/432194650.db2.gz HVAGOVRCAFZJQD-AEFFLSMTSA-N 1 0 302.462 3.081 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCc2cccnc2)c1 ZINC000172071461 432194798 /nfs/dbraw/zinc/19/47/98/432194798.db2.gz KGYGHEVVRCGRAD-SFHVURJKSA-N 1 0 312.413 3.478 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)C1CCCC1 ZINC000247046470 432196967 /nfs/dbraw/zinc/19/69/67/432196967.db2.gz SEWBHWWFSJLJLJ-OAGGEKHMSA-N 1 0 302.462 3.463 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)[C@H](C)CCc2ccccc2F)[C@@H](C)C1 ZINC000247056001 432198267 /nfs/dbraw/zinc/19/82/67/432198267.db2.gz IKONWYDMTGIEBC-VKJFTORMSA-N 1 0 320.452 3.239 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000247088803 432202043 /nfs/dbraw/zinc/20/20/43/432202043.db2.gz PRLXFVOQWQQFDZ-CJNGLKHVSA-N 1 0 305.393 3.477 10 0 DGAERO C[NH+]1CCC(CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1 ZINC000172184366 432202303 /nfs/dbraw/zinc/20/23/03/432202303.db2.gz GDFBHGNGUJMWIE-UHFFFAOYSA-N 1 0 309.498 3.186 10 0 DGAERO C[C@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)O1 ZINC000130571128 196092613 /nfs/dbraw/zinc/09/26/13/196092613.db2.gz XAAOLDXXQPWJKO-WMLDXEAASA-N 1 0 302.418 3.179 10 0 DGAERO COC(=O)c1coc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000130724765 196104357 /nfs/dbraw/zinc/10/43/57/196104357.db2.gz VKZRIGFYIHOXCL-WDEREUQCSA-N 1 0 305.296 3.277 10 0 DGAERO C([C@@H]1CCC2(CCCCC2)O1)N1CCC([NH+]2CCCC2)CC1 ZINC000190938127 432203481 /nfs/dbraw/zinc/20/34/81/432203481.db2.gz MDZDCJVUMBPZGC-SFHVURJKSA-N 1 0 306.494 3.429 10 0 DGAERO CCc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)COCC(C)C)o1 ZINC000130974523 196128972 /nfs/dbraw/zinc/12/89/72/196128972.db2.gz GKFSZSCYNQNYJW-RDJZCZTQSA-N 1 0 309.450 3.403 10 0 DGAERO c1cc([C@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)n[nH]1 ZINC000131261010 196155747 /nfs/dbraw/zinc/15/57/47/196155747.db2.gz ZUCSLZRGYQMXIX-KRWDZBQOSA-N 1 0 310.445 3.042 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)no1 ZINC000172288929 432207202 /nfs/dbraw/zinc/20/72/02/432207202.db2.gz CTUIRMGHDKUCOJ-OAHLLOKOSA-N 1 0 311.429 3.321 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc2cccnc21 ZINC000247179571 432209625 /nfs/dbraw/zinc/20/96/25/432209625.db2.gz BHJOKQPUQGNDLM-HOTGVXAUSA-N 1 0 324.428 3.325 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000151063382 432215713 /nfs/dbraw/zinc/21/57/13/432215713.db2.gz ZKCBOLJLCLVQAO-GFCCVEGCSA-N 1 0 306.475 3.146 10 0 DGAERO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1CCCC1 ZINC000172220883 432204013 /nfs/dbraw/zinc/20/40/13/432204013.db2.gz RNGBTVCHESOKJU-YOEHRIQHSA-N 1 0 303.450 3.167 10 0 DGAERO O[C@@H](C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)C1CCCCC1 ZINC000190951382 432204833 /nfs/dbraw/zinc/20/48/33/432204833.db2.gz WSZSFJUSFNEETI-VQTJNVASSA-N 1 0 315.457 3.102 10 0 DGAERO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247129406 432204870 /nfs/dbraw/zinc/20/48/70/432204870.db2.gz KGEBKLPIFKTQLJ-QWHCGFSZSA-N 1 0 306.360 3.030 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCCN2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000247129025 432205322 /nfs/dbraw/zinc/20/53/22/432205322.db2.gz NLKCIBOTSLRUMP-QAPCUYQASA-N 1 0 318.461 3.325 10 0 DGAERO CCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000172271295 432205920 /nfs/dbraw/zinc/20/59/20/432205920.db2.gz DDOZCAAZYRFEGT-GOSISDBHSA-N 1 0 315.417 3.414 10 0 DGAERO CC(C)Oc1ccccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247348188 432225303 /nfs/dbraw/zinc/22/53/03/432225303.db2.gz XXVBTAGZSWWZQA-WBVHZDCISA-N 1 0 307.459 3.180 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CCc1cccc(OC(F)(F)F)c1 ZINC000191139670 432225386 /nfs/dbraw/zinc/22/53/86/432225386.db2.gz CJIHJDXBWMEDAO-RYUDHWBXSA-N 1 0 317.351 3.361 10 0 DGAERO Cc1ccc(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000247373087 432226117 /nfs/dbraw/zinc/22/61/17/432226117.db2.gz KYTIBGQRTPLCOZ-IRXDYDNUSA-N 1 0 318.461 3.013 10 0 DGAERO Cc1cccc(C)c1OCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247399955 432227988 /nfs/dbraw/zinc/22/79/88/432227988.db2.gz MOFWJTHKACBAOE-DLBZAZTESA-N 1 0 318.461 3.013 10 0 DGAERO Cc1cc(C)cc(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247406088 432228248 /nfs/dbraw/zinc/22/82/48/432228248.db2.gz MXVVRDGQIRJXCR-IRXDYDNUSA-N 1 0 318.461 3.013 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](CCn3ccnc3)C2)n1 ZINC000131468640 196171715 /nfs/dbraw/zinc/17/17/15/196171715.db2.gz HKMVQTXONLVLDR-CQSZACIVSA-N 1 0 304.463 3.343 10 0 DGAERO C[C@@H]1C[C@H](C[NH3+])CN1CCOc1c(Cl)cccc1Cl ZINC000131466601 196171826 /nfs/dbraw/zinc/17/18/26/196171826.db2.gz HVPICAIXJYCLQV-GHMZBOCLSA-N 1 0 303.233 3.041 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191067076 432217847 /nfs/dbraw/zinc/21/78/47/432217847.db2.gz VEAYIKQHJBNRKH-KSZLIROESA-N 1 0 314.477 3.370 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247290696 432218181 /nfs/dbraw/zinc/21/81/81/432218181.db2.gz GZULBYKRJSDUFY-CABCVRRESA-N 1 0 317.433 3.174 10 0 DGAERO CCCN1Cc2cccc(NC(=O)[C@H]3CCCO[C@@H]3C)c2C1 ZINC000191125224 432223339 /nfs/dbraw/zinc/22/33/39/432223339.db2.gz YXTQXECPIRRHPN-HIFRSBDPSA-N 1 0 302.418 3.166 10 0 DGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000132706511 196277692 /nfs/dbraw/zinc/27/76/92/196277692.db2.gz BTFSGTTVJOMRBE-KRWDZBQOSA-N 1 0 314.473 3.342 10 0 DGAERO C[C@H](C[NH2+]Cc1ccnc(-n2cccn2)c1)Cc1ccccc1 ZINC000132970080 196300006 /nfs/dbraw/zinc/30/00/06/196300006.db2.gz VLEKYARGZMIXMD-INIZCTEOSA-N 1 0 306.413 3.236 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(-c2ccccc2)cc1 ZINC000132981558 196302347 /nfs/dbraw/zinc/30/23/47/196302347.db2.gz QOMZITAGAKIFFS-LSDHHAIUSA-N 1 0 317.454 3.437 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)C(c1ccccc1)c1ccccc1 ZINC000133011360 196304215 /nfs/dbraw/zinc/30/42/15/196304215.db2.gz MOXKJQCFWITRQP-QFBILLFUSA-N 1 0 322.452 3.417 10 0 DGAERO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1)C1CC1 ZINC000133112707 196312324 /nfs/dbraw/zinc/31/23/24/196312324.db2.gz YOLZHGDFILIXFY-HNNXBMFYSA-N 1 0 323.440 3.410 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)ccc1F ZINC000134526369 196399097 /nfs/dbraw/zinc/39/90/97/196399097.db2.gz YIPKAVMOAPAIOG-UHFFFAOYSA-N 1 0 304.752 3.012 10 0 DGAERO CC1(C)CCC[C@H]([NH2+]CC(=O)N2CCc3sccc3C2)C1 ZINC000136063321 196518044 /nfs/dbraw/zinc/51/80/44/196518044.db2.gz LZOCBUNTJXVWKV-AWEZNQCLSA-N 1 0 306.475 3.191 10 0 DGAERO CC[C@@H]1C[C@H](CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)CCO1 ZINC000261908889 287303086 /nfs/dbraw/zinc/30/30/86/287303086.db2.gz XHUQIVIKXOFFDZ-ZTFGCOKTSA-N 1 0 322.880 3.492 10 0 DGAERO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000111246003 545872010 /nfs/dbraw/zinc/87/20/10/545872010.db2.gz SIKMJDLQENVEMU-ZANVPECISA-N 1 0 320.742 3.059 10 0 DGAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2nnc(C(C)(C)C)s2)CC1 ZINC000154934552 287368315 /nfs/dbraw/zinc/36/83/15/287368315.db2.gz LFBDYJHMUXXKFX-GFCCVEGCSA-N 1 0 308.495 3.289 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000152315221 227071546 /nfs/dbraw/zinc/07/15/46/227071546.db2.gz WFICQSBEHZFVCR-IINYFYTJSA-N 1 0 316.214 3.229 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[N@@H+](C)CC1(CO)CC1 ZINC000290992900 222054954 /nfs/dbraw/zinc/05/49/54/222054954.db2.gz ADFWOMFJNJKNRL-UKTHLTGXSA-N 1 0 311.372 3.396 10 0 DGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000178189799 228337616 /nfs/dbraw/zinc/33/76/16/228337616.db2.gz ZNVKTRCHONZKFW-FUHWJXTLSA-N 1 0 310.445 3.413 10 0 DGAERO CN(C(=O)NC1CCC(C[NH+](C)C)CC1)C1CCCCCC1 ZINC000178977566 228348950 /nfs/dbraw/zinc/34/89/50/228348950.db2.gz FWDQWURQJFDSEB-UHFFFAOYSA-N 1 0 309.498 3.471 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)ccc1F ZINC000179394676 228350792 /nfs/dbraw/zinc/35/07/92/228350792.db2.gz XHRBJVHKDWQHBW-ZFWWWQNUSA-N 1 0 311.397 3.071 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccccc1Br ZINC000310807201 292630860 /nfs/dbraw/zinc/63/08/60/292630860.db2.gz HXQXCJRIWFQOIN-RYUDHWBXSA-N 1 0 316.239 3.151 10 0 DGAERO Cc1ccsc1CNC(=O)C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000181343808 228361961 /nfs/dbraw/zinc/36/19/61/228361961.db2.gz QXJFOSNMMOJUQD-CYBMUJFWSA-N 1 0 320.433 3.471 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]CCCn1ccnn1)CCS2 ZINC000187540451 228434387 /nfs/dbraw/zinc/43/43/87/228434387.db2.gz HQENKHHPRPRQBB-OAHLLOKOSA-N 1 0 302.447 3.112 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000248969918 228632027 /nfs/dbraw/zinc/63/20/27/228632027.db2.gz RYTODXZOHHOMCX-DLBZAZTESA-N 1 0 305.466 3.115 10 0 DGAERO CC[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000130428067 292634610 /nfs/dbraw/zinc/63/46/10/292634610.db2.gz VIADGZUVTWSOFM-VMWRSERWSA-N 1 0 302.462 3.417 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2cccc3ncccc32)CC1 ZINC000130418480 292634137 /nfs/dbraw/zinc/63/41/37/292634137.db2.gz DKXXAYZRZXKDOR-UHFFFAOYSA-N 1 0 311.429 3.085 10 0 DGAERO Cc1cc(CN2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)no1 ZINC000302179345 230144598 /nfs/dbraw/zinc/14/45/98/230144598.db2.gz YQOMWXUKPGRAML-UHFFFAOYSA-N 1 0 322.412 3.162 10 0 DGAERO CCc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)oc1CC ZINC000131283658 292651244 /nfs/dbraw/zinc/65/12/44/292651244.db2.gz HBQGYJMQGATIML-UHFFFAOYSA-N 1 0 301.390 3.113 10 0 DGAERO CCc1nc2n(n1)C[C@@H](Nc1c(C)c[nH+]c3c(C)cccc13)CC2 ZINC000185299045 263632099 /nfs/dbraw/zinc/63/20/99/263632099.db2.gz JJWAZGOGTHVZKS-AWEZNQCLSA-N 1 0 321.428 3.432 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(-c4nc5cccnc5s4)n3)cc12 ZINC000347196205 264173765 /nfs/dbraw/zinc/17/37/65/264173765.db2.gz KRPGNFFIDIALBR-UHFFFAOYSA-N 1 0 320.337 3.056 10 0 DGAERO c1nn(-c2ccccc2)c2c1C[N@H+](CC[C@H]1CCCCO1)CC2 ZINC000347397458 264214363 /nfs/dbraw/zinc/21/43/63/264214363.db2.gz YPQXQJOPYXRREW-GOSISDBHSA-N 1 0 311.429 3.190 10 0 DGAERO c1ccc(COC[C@H]2CC[N@@H+](CC[C@H]3CCCCO3)C2)cc1 ZINC000347449687 264223626 /nfs/dbraw/zinc/22/36/26/264223626.db2.gz XNNLHKKQYSBNID-RBUKOAKNSA-N 1 0 303.446 3.484 10 0 DGAERO c1ccc(OC2CC2)c(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000347715123 264272681 /nfs/dbraw/zinc/27/26/81/264272681.db2.gz FOKHNFAIHIOBRG-UHFFFAOYSA-N 1 0 300.446 3.288 10 0 DGAERO c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000347919683 264305452 /nfs/dbraw/zinc/30/54/52/264305452.db2.gz KHNNBZITGBYSCX-RHSMWYFYSA-N 1 0 310.397 3.363 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1c(F)cccc1Br ZINC000352890699 265217039 /nfs/dbraw/zinc/21/70/39/265217039.db2.gz FCVIERMBLIHYRW-CYBMUJFWSA-N 1 0 304.203 3.085 10 0 DGAERO c1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)OCCO2 ZINC000353280619 265374039 /nfs/dbraw/zinc/37/40/39/265374039.db2.gz VYVMVDFCTRJHLV-IXDOHACOSA-N 1 0 317.429 3.143 10 0 DGAERO COc1cc(-c2noc([C@H](C)[NH+]3CCCCCC3)n2)ccn1 ZINC000191173753 432231098 /nfs/dbraw/zinc/23/10/98/432231098.db2.gz CEHYTFKGILBAJE-LBPRGKRZSA-N 1 0 302.378 3.077 10 0 DGAERO c1cnn(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)cc2)c1 ZINC000355224527 266006599 /nfs/dbraw/zinc/00/65/99/266006599.db2.gz QMPFPTOSKDTNKJ-ROUUACIJSA-N 1 0 311.429 3.121 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000355901959 266224777 /nfs/dbraw/zinc/22/47/77/266224777.db2.gz AOYQEBRZBXCPAN-AQNXPRMDSA-N 1 0 314.473 3.009 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000247455928 432232804 /nfs/dbraw/zinc/23/28/04/432232804.db2.gz QQJGBCFULNTJEV-XJKSGUPXSA-N 1 0 308.853 3.451 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000191191563 432232859 /nfs/dbraw/zinc/23/28/59/432232859.db2.gz OIICOEXXQZRWCP-RYUDHWBXSA-N 1 0 304.365 3.214 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000247484942 432233416 /nfs/dbraw/zinc/23/34/16/432233416.db2.gz TWFFBOQTQOCKPI-BQFCYCMXSA-N 1 0 302.462 3.054 10 0 DGAERO Cc1c2ccccc2oc1[C@H](C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151271728 432234691 /nfs/dbraw/zinc/23/46/91/432234691.db2.gz IUWVPHGKAURIBR-HOTGVXAUSA-N 1 0 316.445 3.239 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC000247503882 432235587 /nfs/dbraw/zinc/23/55/87/432235587.db2.gz XRXDXPOIDJKEQK-ICAOIODUSA-N 1 0 307.482 3.126 10 0 DGAERO C[C@@H]1CC[C@@H](NC[C@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000151315059 432235726 /nfs/dbraw/zinc/23/57/26/432235726.db2.gz RHYMDQLUDFDRFZ-JTDSTZFVSA-N 1 0 302.462 3.061 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000247497356 432236093 /nfs/dbraw/zinc/23/60/93/432236093.db2.gz WUFDJHOBAZDKMO-BRWVUGGUSA-N 1 0 309.498 3.471 10 0 DGAERO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000247545241 432239671 /nfs/dbraw/zinc/23/96/71/432239671.db2.gz RKVRHBXQAYITJL-WMZOPIPTSA-N 1 0 315.413 3.473 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000247546561 432240116 /nfs/dbraw/zinc/24/01/16/432240116.db2.gz YLONFLIRPOJKOV-JZXOWHBKSA-N 1 0 302.462 3.369 10 0 DGAERO CSCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247547544 432240169 /nfs/dbraw/zinc/24/01/69/432240169.db2.gz YMVNIHSCANBYPM-WFASDCNBSA-N 1 0 312.504 3.000 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)[C@H](C)c2ccccc2F)C1 ZINC000247528163 432240399 /nfs/dbraw/zinc/24/03/99/432240399.db2.gz ZORNYDJYRSALTC-CKEIUWERSA-N 1 0 321.440 3.257 10 0 DGAERO CN1CCN([C@H]2CCCC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000182891520 432240535 /nfs/dbraw/zinc/24/05/35/432240535.db2.gz QXIPYXGTCHOJOL-IBGZPJMESA-N 1 0 321.553 3.305 10 0 DGAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000172862671 432240637 /nfs/dbraw/zinc/24/06/37/432240637.db2.gz PWZCQZILJXHEFY-ZWKOTPCHSA-N 1 0 304.478 3.193 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)c1cccs1 ZINC000172870547 432242268 /nfs/dbraw/zinc/24/22/68/432242268.db2.gz AKLRROZKZUFGMW-KGLIPLIRSA-N 1 0 314.454 3.372 10 0 DGAERO C[C@@H](NC(=O)N1CCCC1(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938848 432243251 /nfs/dbraw/zinc/24/32/51/432243251.db2.gz LLUPYHNTYYJQMQ-HUUCEWRRSA-N 1 0 307.482 3.223 10 0 DGAERO C[C@@H](CCc1ccccc1F)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000172921140 432245275 /nfs/dbraw/zinc/24/52/75/432245275.db2.gz XDMRDXUQRKAMDI-HNNXBMFYSA-N 1 0 318.436 3.091 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000247674509 432245633 /nfs/dbraw/zinc/24/56/33/432245633.db2.gz YYCSZQZLKXCHFQ-QLFBSQMISA-N 1 0 302.418 3.028 10 0 DGAERO CC[C@H]1C[N@H+](CCCc2cccc(F)c2)CCN1CC(F)F ZINC000182976111 432247635 /nfs/dbraw/zinc/24/76/35/432247635.db2.gz FPVVNFNUYSWBJF-INIZCTEOSA-N 1 0 314.395 3.420 10 0 DGAERO O[C@@H](CC1CCCC1)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000191319721 432249675 /nfs/dbraw/zinc/24/96/75/432249675.db2.gz XNDZGQLHCUAPNW-IBGZPJMESA-N 1 0 308.510 3.126 10 0 DGAERO c1csc([C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)N2CCCC2)c1 ZINC000367620682 271054401 /nfs/dbraw/zinc/05/44/01/271054401.db2.gz QSLMINPXMNFXNY-GOEBONIOSA-N 1 0 316.474 3.275 10 0 DGAERO Cc1cc(CC[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)on1 ZINC000367699073 271066553 /nfs/dbraw/zinc/06/65/53/271066553.db2.gz RLOSFPNBSALWQI-ZWKOTPCHSA-N 1 0 314.429 3.499 10 0 DGAERO CC(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368436149 271158327 /nfs/dbraw/zinc/15/83/27/271158327.db2.gz WTHGVUOVBCSRIW-GVDBMIGSSA-N 1 0 300.446 3.059 10 0 DGAERO c1csc(-c2ncc(C[NH2+][C@H]3CCc4nc[nH]c4C3)s2)c1 ZINC000368687552 271193412 /nfs/dbraw/zinc/19/34/12/271193412.db2.gz LBASQNYOCYWROD-JTQLQIEISA-N 1 0 316.455 3.242 10 0 DGAERO Cc1csc(NC(=O)CN2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000369028744 271233358 /nfs/dbraw/zinc/23/33/58/271233358.db2.gz YOUWVIYSKYNPFM-CYBMUJFWSA-N 1 0 319.405 3.019 10 0 DGAERO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000369226545 271253281 /nfs/dbraw/zinc/25/32/81/271253281.db2.gz MDADPWISKMFWRQ-HNNXBMFYSA-N 1 0 320.396 3.050 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(F)ccc1F ZINC000151485211 432250873 /nfs/dbraw/zinc/25/08/73/432250873.db2.gz LPQSIQPCLRIIIB-GFCCVEGCSA-N 1 0 314.339 3.396 10 0 DGAERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)CC3CCCC3)C2)n1 ZINC000191324987 432251681 /nfs/dbraw/zinc/25/16/81/432251681.db2.gz DPXVSAYXTFZRPF-ZWKOTPCHSA-N 1 0 317.477 3.065 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cccnc1 ZINC000247880327 432252668 /nfs/dbraw/zinc/25/26/68/432252668.db2.gz BOXFTPHMXQWYPQ-JTDSTZFVSA-N 1 0 310.445 3.038 10 0 DGAERO Brc1cc2c(s1)CC[C@H]2N[C@@H]1CCCC[NH2+]C1 ZINC000423571517 273473077 /nfs/dbraw/zinc/47/30/77/273473077.db2.gz XQNGHLANPLEKGY-MWLCHTKSSA-N 1 0 315.280 3.230 10 0 DGAERO Brc1cccc2c1CC[C@@H]2N[C@@H]1CCCC[NH2+]C1 ZINC000423553643 273475732 /nfs/dbraw/zinc/47/57/32/273475732.db2.gz KOXHZBHFDBIEDF-ABAIWWIYSA-N 1 0 309.251 3.168 10 0 DGAERO CC[C@@H](C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21)[NH+](C)C ZINC000129862365 273713584 /nfs/dbraw/zinc/71/35/84/273713584.db2.gz PHPXASVUGUYADG-CVEARBPZSA-N 1 0 316.445 3.279 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1nccn1C ZINC000183100935 432257499 /nfs/dbraw/zinc/25/74/99/432257499.db2.gz PWOVGFHMIOYMPK-DOMZBBRYSA-N 1 0 320.387 3.018 10 0 DGAERO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183094411 432258251 /nfs/dbraw/zinc/25/82/51/432258251.db2.gz HJKOUIUSFALZGM-DOMZBBRYSA-N 1 0 317.385 3.267 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)CCc2ccccc2)[C@H]1c1ccccc1 ZINC000247984213 432258260 /nfs/dbraw/zinc/25/82/60/432258260.db2.gz HZMUNDDQIZAOGN-AZUAARDMSA-N 1 0 308.425 3.181 10 0 DGAERO CSCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447396162 274175621 /nfs/dbraw/zinc/17/56/21/274175621.db2.gz VGTSVPPPIOZQGA-CQSZACIVSA-N 1 0 301.459 3.108 10 0 DGAERO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000154273055 274184313 /nfs/dbraw/zinc/18/43/13/274184313.db2.gz JGJXSKIJRVUVMC-JLJPHGGASA-N 1 0 309.475 3.219 10 0 DGAERO C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1COc2ccccc21 ZINC000190208584 274246300 /nfs/dbraw/zinc/24/63/00/274246300.db2.gz OCLAHHFLTYBXMA-RHSMWYFYSA-N 1 0 317.429 3.074 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)C(C)(C)c1ccccc1 ZINC000178048682 274253272 /nfs/dbraw/zinc/25/32/72/274253272.db2.gz ORUJEQCLSUBKQO-OAHLLOKOSA-N 1 0 321.428 3.118 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1Cl ZINC000192812675 274261747 /nfs/dbraw/zinc/26/17/47/274261747.db2.gz WNBRWVQFXFCQJD-KGLIPLIRSA-N 1 0 316.836 3.450 10 0 DGAERO C[C@@H]1C[N@H+](CCn2cnc3ccccc3c2=O)[C@H]1c1ccccc1 ZINC000245439043 274349801 /nfs/dbraw/zinc/34/98/01/274349801.db2.gz SNGFZJJHABPDTL-DNVCBOLYSA-N 1 0 319.408 3.090 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173098306 432258697 /nfs/dbraw/zinc/25/86/97/432258697.db2.gz PRQYEHOZVPFORK-CQSZACIVSA-N 1 0 319.474 3.029 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)C1CCCC1 ZINC000184612452 274510744 /nfs/dbraw/zinc/51/07/44/274510744.db2.gz JXQLMEVRUIHMMY-ZDUSSCGKSA-N 1 0 304.459 3.294 10 0 DGAERO C[C@H]1CCN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000261663659 274558268 /nfs/dbraw/zinc/55/82/68/274558268.db2.gz CEWKWMCSMYXIAF-QWRGUYRKSA-N 1 0 315.244 3.122 10 0 DGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCc2ccc(Cl)cc21 ZINC000246774495 275006774 /nfs/dbraw/zinc/00/67/74/275006774.db2.gz QOROPTYUSRVNAT-CFVMTHIKSA-N 1 0 304.821 3.150 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000247951646 275057552 /nfs/dbraw/zinc/05/75/52/275057552.db2.gz FBQFXCVRGXLXQS-OIISXLGYSA-N 1 0 309.837 3.000 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091345673 275566080 /nfs/dbraw/zinc/56/60/80/275566080.db2.gz OYXFLVFNQFGIDS-KDOFPFPSSA-N 1 0 303.450 3.411 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ncc(-c3ccccc3)o1)CC2 ZINC000248022289 432260985 /nfs/dbraw/zinc/26/09/85/432260985.db2.gz NXAXJYKLKWNMAY-QFBILLFUSA-N 1 0 312.413 3.469 10 0 DGAERO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000126541400 275946887 /nfs/dbraw/zinc/94/68/87/275946887.db2.gz VAJWKUKCCTVSEZ-UKRRQHHQSA-N 1 0 320.408 3.028 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473649749 276007428 /nfs/dbraw/zinc/00/74/28/276007428.db2.gz FFKRLLZIHYHEGW-BPQIPLTHSA-N 1 0 318.436 3.452 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)[NH+](C)C ZINC000157663900 276021345 /nfs/dbraw/zinc/02/13/45/276021345.db2.gz UMEDGPZCDKHFFE-KBPBESRZSA-N 1 0 316.367 3.007 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000079114912 276097203 /nfs/dbraw/zinc/09/72/03/276097203.db2.gz ZLJIIRZHKDMMKJ-QWHCGFSZSA-N 1 0 323.403 3.139 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167101336 276167601 /nfs/dbraw/zinc/16/76/01/276167601.db2.gz FMIGICUMUWYXIE-CYBMUJFWSA-N 1 0 304.331 3.418 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000245439112 276169146 /nfs/dbraw/zinc/16/91/46/276169146.db2.gz ZCLYTKKWSZHKCL-MGPQQGTHSA-N 1 0 322.399 3.011 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1SCCc2sccc21 ZINC000245433851 276181124 /nfs/dbraw/zinc/18/11/24/276181124.db2.gz QKCWXDDYYBUEPY-SWLSCSKDSA-N 1 0 324.515 3.021 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(Cl)cc1C ZINC000175341858 276182956 /nfs/dbraw/zinc/18/29/56/276182956.db2.gz BGBYQAAQTWNBTH-HNNXBMFYSA-N 1 0 323.868 3.003 10 0 DGAERO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000461801275 276231683 /nfs/dbraw/zinc/23/16/83/276231683.db2.gz LRXNWIQEERUCLC-YNEHKIRRSA-N 1 0 323.403 3.089 10 0 DGAERO CCOC(C[N@@H+]1C[C@H](c2ccc(OC)cc2)C[C@H]1C)OCC ZINC000248403374 276307664 /nfs/dbraw/zinc/30/76/64/276307664.db2.gz XUOLLJHUZDCCHR-GDBMZVCRSA-N 1 0 307.434 3.272 10 0 DGAERO CCN(Cc1nccn1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000101907595 276355204 /nfs/dbraw/zinc/35/52/04/276355204.db2.gz LCIPZGWXFNMUMY-WMZOPIPTSA-N 1 0 312.461 3.078 10 0 DGAERO CCOc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)cc1 ZINC000177496580 276374611 /nfs/dbraw/zinc/37/46/11/276374611.db2.gz AEHQTXJHQISRFQ-HZPDHXFCSA-N 1 0 317.433 3.176 10 0 DGAERO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732102 276430360 /nfs/dbraw/zinc/43/03/60/276430360.db2.gz QCLMWCXOZUYVQM-ROUUACIJSA-N 1 0 310.445 3.056 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nc(CC)nc32)C1(CC)CC ZINC000245866869 276475035 /nfs/dbraw/zinc/47/50/35/276475035.db2.gz IUGUABIVCNRFSI-RBSFLKMASA-N 1 0 320.481 3.249 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[C@H](C)c3ccccc31)CC2 ZINC000180625105 276695742 /nfs/dbraw/zinc/69/57/42/276695742.db2.gz PNZLALHQCVMZGL-VBQJREDUSA-N 1 0 310.445 3.384 10 0 DGAERO CN1CC[C@H]([NH2+]CC2=CCCOC2)[C@@H]1c1ccc(Cl)cc1 ZINC000089808528 276964296 /nfs/dbraw/zinc/96/42/96/276964296.db2.gz LQBKOOPZSRWXRQ-IRXDYDNUSA-N 1 0 306.837 3.022 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000248433626 277083591 /nfs/dbraw/zinc/08/35/91/277083591.db2.gz DIQDZIAYZZFYRX-BIMQEMHKSA-N 1 0 302.418 3.253 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@H]2CCCc3ccccc32)CCOCC1 ZINC000453081721 277190231 /nfs/dbraw/zinc/19/02/31/277190231.db2.gz UQJKXGJDCZUHSY-NVXWUHKLSA-N 1 0 303.446 3.280 10 0 DGAERO C[N@H+]1Cc2c(Cl)nc(Cl)nc2[C@H](c2ccc(F)cc2)C1 ZINC000091691413 277207696 /nfs/dbraw/zinc/20/76/96/277207696.db2.gz LJSXWMIZZJBENZ-JTQLQIEISA-N 1 0 312.175 3.500 10 0 DGAERO CNC(=O)[C@H]([NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)C(C)C ZINC000183211754 277250390 /nfs/dbraw/zinc/25/03/90/277250390.db2.gz ORPLVWGFQMLFGU-LALPHHSUSA-N 1 0 319.474 3.149 10 0 DGAERO C[NH2+][C@@H](C)CNC(=O)c1sc(-c2ccc(C)cc2C)nc1C ZINC000261802199 277293651 /nfs/dbraw/zinc/29/36/51/277293651.db2.gz RWBVNRPFXWAOKS-LBPRGKRZSA-N 1 0 317.458 3.073 10 0 DGAERO C[NH2+][C@H](C)CNC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000261794304 277297480 /nfs/dbraw/zinc/29/74/80/277297480.db2.gz RDJYRIDIRRTEIH-MRXNPFEDSA-N 1 0 302.462 3.294 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246342869 277326421 /nfs/dbraw/zinc/32/64/21/277326421.db2.gz HECKKOUWGZKBKN-CKEIUWERSA-N 1 0 319.449 3.244 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119291026 277566405 /nfs/dbraw/zinc/56/64/05/277566405.db2.gz OSVBSOJHRQTLIA-KRWDZBQOSA-N 1 0 321.440 3.185 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000114515807 277583903 /nfs/dbraw/zinc/58/39/03/277583903.db2.gz HKMCKWQXXJLGJS-LJQANCHMSA-N 1 0 319.493 3.391 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000189089575 277628495 /nfs/dbraw/zinc/62/84/95/277628495.db2.gz ZJNYWGJRKFBOSD-CZUORRHYSA-N 1 0 307.459 3.464 10 0 DGAERO COc1cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)ccc1O ZINC000178012537 277820040 /nfs/dbraw/zinc/82/00/40/277820040.db2.gz PXRZFYLEMAMFAZ-AWEZNQCLSA-N 1 0 303.333 3.153 10 0 DGAERO COc1cccc2c1CC[N@H+](Cc1ccccc1N(C)C)CC2 ZINC000489433046 278029436 /nfs/dbraw/zinc/02/94/36/278029436.db2.gz IGOPNHFEEVIORW-UHFFFAOYSA-N 1 0 310.441 3.362 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000262458961 278220955 /nfs/dbraw/zinc/22/09/55/278220955.db2.gz IKNHFJQFUURXOR-UKRRQHHQSA-N 1 0 322.449 3.257 10 0 DGAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc2c1CCO2 ZINC000333194026 278255274 /nfs/dbraw/zinc/25/52/74/278255274.db2.gz WOTLSYLSQSGENJ-AWEZNQCLSA-N 1 0 317.433 3.008 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)[C@@H](C)c1ccccc1 ZINC000089733269 278271230 /nfs/dbraw/zinc/27/12/30/278271230.db2.gz JPTCZVRAUHYTPK-SOLBZPMBSA-N 1 0 310.445 3.227 10 0 DGAERO C[C@@H](CNC(=O)N[C@H]1CCc2cc(Cl)ccc21)[N@H+](C)C1CC1 ZINC000105185761 278277730 /nfs/dbraw/zinc/27/77/30/278277730.db2.gz JIAVXJSZYHOZFU-ZBEGNZNMSA-N 1 0 321.852 3.109 10 0 DGAERO C[C@H]1CCCN(c2ncc(Br)cc2Cl)[C@@H]1C[NH3+] ZINC000235649551 278344650 /nfs/dbraw/zinc/34/46/50/278344650.db2.gz GGDNOLDROYSGEV-GZMMTYOYSA-N 1 0 318.646 3.061 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)[C@@H]1CCCO1 ZINC000091284688 278365792 /nfs/dbraw/zinc/36/57/92/278365792.db2.gz AFXDXNLDLKVQAW-ZETOZRRWSA-N 1 0 307.825 3.445 10 0 DGAERO CC[C@H]([NH2+]CCc1nc(C)no1)c1cccc(Br)c1 ZINC000089518834 288042616 /nfs/dbraw/zinc/04/26/16/288042616.db2.gz GIIVKLVQOFIYSB-ZDUSSCGKSA-N 1 0 324.222 3.424 10 0 DGAERO C[C@H](C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1C[NH2+]C1 ZINC000262199224 279212858 /nfs/dbraw/zinc/21/28/58/279212858.db2.gz MWVDEEPGTJNXHK-MGPUTAFESA-N 1 0 320.436 3.016 10 0 DGAERO C[C@H](CC[NH2+][C@H]1CCSc2c(F)cccc21)[S@](C)=O ZINC000252730411 279268224 /nfs/dbraw/zinc/26/82/24/279268224.db2.gz LHERANMJIHRIOW-KRDDEPHXSA-N 1 0 301.452 3.109 10 0 DGAERO C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1F ZINC000109022984 431166887 /nfs/dbraw/zinc/16/68/87/431166887.db2.gz NESUVVJDASOTIR-HNNXBMFYSA-N 1 0 318.436 3.264 10 0 DGAERO O=C(NCC[NH+]1CCCCCC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109085998 431170293 /nfs/dbraw/zinc/17/02/93/431170293.db2.gz AZENLZQIJDBSIF-GJZGRUSLSA-N 1 0 322.399 3.061 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000109168374 431171412 /nfs/dbraw/zinc/17/14/12/431171412.db2.gz VGYXKPHPGQTECL-GOEBONIOSA-N 1 0 321.465 3.071 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000491490777 279432093 /nfs/dbraw/zinc/43/20/93/279432093.db2.gz OOKYWWYXEYKWGP-JKSUJKDBSA-N 1 0 307.482 3.083 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000111229417 431200308 /nfs/dbraw/zinc/20/03/08/431200308.db2.gz HQFXUNJXCOBAHM-QGZVFWFLSA-N 1 0 311.429 3.309 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000068894655 431151351 /nfs/dbraw/zinc/15/13/51/431151351.db2.gz FIJNJUODMXSVCK-WMLDXEAASA-N 1 0 308.441 3.097 10 0 DGAERO CC1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCC1 ZINC000108932849 431159823 /nfs/dbraw/zinc/15/98/23/431159823.db2.gz PBCMSZGZNKZWEH-UHFFFAOYSA-N 1 0 307.482 3.084 10 0 DGAERO C[C@H](O)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000111287857 431208173 /nfs/dbraw/zinc/20/81/73/431208173.db2.gz HPKFWVZXWBFOJR-NSHDSACASA-N 1 0 303.324 3.178 10 0 DGAERO C[C@H]1CCCN(Cc2csc(Br)c2)[C@@H]1C[NH3+] ZINC000069727198 431217462 /nfs/dbraw/zinc/21/74/62/431217462.db2.gz RHDPVUGDMHCRIQ-GXSJLCMTSA-N 1 0 303.269 3.070 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000070575666 431253321 /nfs/dbraw/zinc/25/33/21/431253321.db2.gz HFQXEEZDDFFWIC-QWRGUYRKSA-N 1 0 303.793 3.344 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccccc2Br)c1 ZINC000112552234 431280592 /nfs/dbraw/zinc/28/05/92/431280592.db2.gz UQLQITWTPJWEFV-LBPRGKRZSA-N 1 0 308.223 3.305 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1Cl ZINC000112549879 431283018 /nfs/dbraw/zinc/28/30/18/431283018.db2.gz GFFMELBDTZVZLU-KGLIPLIRSA-N 1 0 316.836 3.450 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H](Nc1cc[nH+]c3ccccc13)CC2 ZINC000112557178 431286116 /nfs/dbraw/zinc/28/61/16/431286116.db2.gz VSWUYHIFCNKTJH-CYBMUJFWSA-N 1 0 307.401 3.377 10 0 DGAERO CCc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC000071790586 431286624 /nfs/dbraw/zinc/28/66/24/431286624.db2.gz HWCYYBUXMLERQY-HZPDHXFCSA-N 1 0 304.434 3.301 10 0 DGAERO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000408222025 279597390 /nfs/dbraw/zinc/59/73/90/279597390.db2.gz NPNYGFNXWZGHEZ-KFWWJZLASA-N 1 0 310.482 3.006 10 0 DGAERO C[C@H](c1cccc(F)c1)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000091980385 279605449 /nfs/dbraw/zinc/60/54/49/279605449.db2.gz SHNKXFJLPCTIKZ-QAPCUYQASA-N 1 0 306.425 3.073 10 0 DGAERO CCn1c(C[N@@H+]2CCC[C@H](COC)C2)nc2cc(F)ccc21 ZINC000112989150 431322578 /nfs/dbraw/zinc/32/25/78/431322578.db2.gz KCNBPZMTZLTUMT-ZDUSSCGKSA-N 1 0 305.397 3.054 10 0 DGAERO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1Cl ZINC000113367211 431346200 /nfs/dbraw/zinc/34/62/00/431346200.db2.gz SWSBHFUZWVFAFZ-GXTWGEPZSA-N 1 0 307.825 3.349 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2ccco2)n1 ZINC000113518458 431351492 /nfs/dbraw/zinc/35/14/92/431351492.db2.gz HVAGRYPWIIICIY-TZMCWYRMSA-N 1 0 303.431 3.072 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000072825899 431352407 /nfs/dbraw/zinc/35/24/07/431352407.db2.gz CEAPYDVVTUFUSD-INIZCTEOSA-N 1 0 313.445 3.009 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000007816659 431364419 /nfs/dbraw/zinc/36/44/19/431364419.db2.gz NFNQYURKCPANRG-KRWDZBQOSA-N 1 0 316.832 3.302 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000007816459 431364614 /nfs/dbraw/zinc/36/46/14/431364614.db2.gz MAHXGOBADMQJJL-MRXNPFEDSA-N 1 0 302.805 3.373 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000007816943 431366013 /nfs/dbraw/zinc/36/60/13/431366013.db2.gz LKECODNOBJRPBA-GFCCVEGCSA-N 1 0 308.834 3.434 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000114851208 431416441 /nfs/dbraw/zinc/41/64/41/431416441.db2.gz GQIYHTUQVXKHJL-ILXRZTDVSA-N 1 0 324.490 3.201 10 0 DGAERO COc1ccc(OCCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114201139 431374903 /nfs/dbraw/zinc/37/49/03/431374903.db2.gz DWKQUHTUMGPLQP-SFHVURJKSA-N 1 0 315.417 3.414 10 0 DGAERO COc1ccc(OCCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114201136 431375668 /nfs/dbraw/zinc/37/56/68/431375668.db2.gz DWKQUHTUMGPLQP-GOSISDBHSA-N 1 0 315.417 3.414 10 0 DGAERO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc2cc(F)ccc2n1CC ZINC000114459822 431391861 /nfs/dbraw/zinc/39/18/61/431391861.db2.gz UMLQAXBJNLEJOS-DLBZAZTESA-N 1 0 319.424 3.321 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494306 431394735 /nfs/dbraw/zinc/39/47/35/431394735.db2.gz SOCJKMYNSZTCBX-IBGZPJMESA-N 1 0 314.429 3.456 10 0 DGAERO CCOc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000011754631 431480327 /nfs/dbraw/zinc/48/03/27/431480327.db2.gz NLXKOZDDIGMFRE-KRWDZBQOSA-N 1 0 323.396 3.075 10 0 DGAERO CC[C@H]1CCCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792864 431438247 /nfs/dbraw/zinc/43/82/47/431438247.db2.gz SQZIIMBOQNDNBM-YNBOMUFVSA-N 1 0 307.482 3.366 10 0 DGAERO CC[C@@H]1CCCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792862 431438272 /nfs/dbraw/zinc/43/82/72/431438272.db2.gz SQZIIMBOQNDNBM-IFFAKLHKSA-N 1 0 307.482 3.366 10 0 DGAERO Cc1cccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1C ZINC000011754672 431480757 /nfs/dbraw/zinc/48/07/57/431480757.db2.gz QXBGEYOGQVKTTC-INIZCTEOSA-N 1 0 307.397 3.293 10 0 DGAERO CCOc1c(C[NH2+]C2CC2)cc(Br)cc1OC ZINC000010475287 431462857 /nfs/dbraw/zinc/46/28/57/431462857.db2.gz GASJBTULAVKAKO-UHFFFAOYSA-N 1 0 300.196 3.108 10 0 DGAERO C[C@@H](c1ccccc1)N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075313411 431469282 /nfs/dbraw/zinc/46/92/82/431469282.db2.gz ABIPAGGCZZHBRD-MIGBEJBISA-N 1 0 315.461 3.404 10 0 DGAERO CC[C@@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000115696462 431471341 /nfs/dbraw/zinc/47/13/41/431471341.db2.gz GHISUUVIPHLHLD-CQSZACIVSA-N 1 0 321.440 3.219 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2OC(C)(C)C)C1 ZINC000115776906 431472699 /nfs/dbraw/zinc/47/26/99/431472699.db2.gz IOCIJVXFQXBDKB-AWEZNQCLSA-N 1 0 319.449 3.470 10 0 DGAERO CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1CCCC1 ZINC000115844928 431475687 /nfs/dbraw/zinc/47/56/87/431475687.db2.gz JCTYAHMVDMXLPY-UHFFFAOYSA-N 1 0 321.440 3.361 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1CCOCC(F)(F)F)c1ccccc1 ZINC000076076013 431524468 /nfs/dbraw/zinc/52/44/68/431524468.db2.gz WGFOSWOCYJSOMB-HUUCEWRRSA-N 1 0 317.351 3.153 10 0 DGAERO C[NH+](C)CC[C@@H](NC(=O)c1cccc2ncccc21)C(C)(C)C ZINC000116125601 431486637 /nfs/dbraw/zinc/48/66/37/431486637.db2.gz ADZRTMIJTGJRGO-QGZVFWFLSA-N 1 0 313.445 3.331 10 0 DGAERO Cc1ccc(C)c([C@H]2C[N@H+](CC3CCOCC3)[C@H](C)CO2)c1 ZINC000075836718 431500314 /nfs/dbraw/zinc/50/03/14/431500314.db2.gz KLUPGRDMKVEBNY-VQIMIIECSA-N 1 0 303.446 3.492 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000116310838 431501773 /nfs/dbraw/zinc/50/17/73/431501773.db2.gz QZUCPRSUSNYHAE-CYBMUJFWSA-N 1 0 309.335 3.428 10 0 DGAERO Cc1ccc(C)c([C@@H]2C[N@H+](CC3CCOCC3)[C@H](C)CO2)c1 ZINC000075836717 431501808 /nfs/dbraw/zinc/50/18/08/431501808.db2.gz KLUPGRDMKVEBNY-APWZRJJASA-N 1 0 303.446 3.492 10 0 DGAERO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116298301 431501970 /nfs/dbraw/zinc/50/19/70/431501970.db2.gz RIKPEWUYRPYTIK-DLBZAZTESA-N 1 0 315.413 3.473 10 0 DGAERO C[NH+](C)C1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000075873476 431503261 /nfs/dbraw/zinc/50/32/61/431503261.db2.gz KUXFAXMYUXYHAP-UHFFFAOYSA-N 1 0 304.478 3.146 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](CCSc3ccc(F)cc3)C2)cn1 ZINC000116407618 431509246 /nfs/dbraw/zinc/50/92/46/431509246.db2.gz KWLBDLSJHPESLR-ZDUSSCGKSA-N 1 0 305.422 3.141 10 0 DGAERO CC1(C)CC(NC(=O)N2CCC[C@@H]2c2ccco2)CC(C)(C)[NH2+]1 ZINC000116416158 431509333 /nfs/dbraw/zinc/50/93/33/431509333.db2.gz KMAYLORUQOSMKZ-CQSZACIVSA-N 1 0 319.449 3.435 10 0 DGAERO CC(C)[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012474948 431510476 /nfs/dbraw/zinc/51/04/76/431510476.db2.gz IFUWRLJCEAGZIX-SFHVURJKSA-N 1 0 322.399 3.188 10 0 DGAERO CCOc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000107525564 279952381 /nfs/dbraw/zinc/95/23/81/279952381.db2.gz WKSNULYRGGSFEY-QGZVFWFLSA-N 1 0 316.445 3.176 10 0 DGAERO CCOc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000170931711 279958665 /nfs/dbraw/zinc/95/86/65/279958665.db2.gz QFEGYWTWKZZPSR-INIZCTEOSA-N 1 0 317.433 3.177 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@@H](C)c3ccccc3)CCO2)n1 ZINC000116878918 431535437 /nfs/dbraw/zinc/53/54/37/431535437.db2.gz FDMMISLREWSVDQ-BEFAXECRSA-N 1 0 313.445 3.004 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000076425136 431548265 /nfs/dbraw/zinc/54/82/65/431548265.db2.gz UATUNBAQDKIVMU-MAUKXSAKSA-N 1 0 315.461 3.126 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000076426881 431550754 /nfs/dbraw/zinc/55/07/54/431550754.db2.gz COVXAAJEQKQFRX-MAUKXSAKSA-N 1 0 316.445 3.091 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1[C@@H]1C[C@H]2CN(C)C(=O)[C@]23CCC[N@@H+]13 ZINC000011764272 280262649 /nfs/dbraw/zinc/26/26/49/280262649.db2.gz YAAMTCOMWJBOPZ-VHFSOBRXSA-N 1 0 323.440 3.152 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H]1CCOc2ccccc21 ZINC000117767823 431576697 /nfs/dbraw/zinc/57/66/97/431576697.db2.gz WSIFNPNZJVOIFC-CVEARBPZSA-N 1 0 318.461 3.035 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000077455708 431598431 /nfs/dbraw/zinc/59/84/31/431598431.db2.gz ZRAZJCFQKBSMTI-SFHVURJKSA-N 1 0 319.424 3.493 10 0 DGAERO C[C@@H](CNC(=O)N1CCCC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000077516255 431603792 /nfs/dbraw/zinc/60/37/92/431603792.db2.gz UAVQPYXLIGORNR-HNNXBMFYSA-N 1 0 315.461 3.017 10 0 DGAERO Cn1nccc1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000117876592 431581813 /nfs/dbraw/zinc/58/18/13/431581813.db2.gz QHYZKLOFNBRLCW-UHFFFAOYSA-N 1 0 301.459 3.392 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000117877227 431583479 /nfs/dbraw/zinc/58/34/79/431583479.db2.gz XDYXPATVTHLJOX-OAHLLOKOSA-N 1 0 306.475 3.159 10 0 DGAERO CSc1cccc(NC(=O)C[N@H+](C(C)C)C2CCOCC2)c1 ZINC000077323787 431585894 /nfs/dbraw/zinc/58/58/94/431585894.db2.gz FQKLOTUXIZXBRA-UHFFFAOYSA-N 1 0 322.474 3.236 10 0 DGAERO COc1ccc([C@H](NC(=O)C[N@@H+]2CCCC2(C)C)C2CC2)cc1 ZINC000077382872 431592524 /nfs/dbraw/zinc/59/25/24/431592524.db2.gz AUQFNCIPFAEYGZ-GOSISDBHSA-N 1 0 316.445 3.137 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1c[nH]c2ccccc12 ZINC000077730111 431620410 /nfs/dbraw/zinc/62/04/10/431620410.db2.gz OSADLSFVWVUGSX-MRXNPFEDSA-N 1 0 315.461 3.193 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1NC(C)=O ZINC000119328660 431675763 /nfs/dbraw/zinc/67/57/63/431675763.db2.gz XZIZDPDGEYFSNR-WFASDCNBSA-N 1 0 320.433 3.262 10 0 DGAERO Cc1cc(F)ccc1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000071790674 280535882 /nfs/dbraw/zinc/53/58/82/280535882.db2.gz AJCHJTNWRNMVBL-HUUCEWRRSA-N 1 0 308.397 3.186 10 0 DGAERO Cc1c2ccccc2oc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000078614384 431687163 /nfs/dbraw/zinc/68/71/63/431687163.db2.gz PCKRZGIQWJMAFG-AWEZNQCLSA-N 1 0 302.418 3.447 10 0 DGAERO Fc1ccc(CC[N@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)cc1 ZINC000078617167 431688814 /nfs/dbraw/zinc/68/88/14/431688814.db2.gz WRXUKTRDLUTVLM-HDICACEKSA-N 1 0 307.409 3.028 10 0 DGAERO O=C(C(c1ccccc1)c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932668 431698407 /nfs/dbraw/zinc/69/84/07/431698407.db2.gz WWPNEJYEOVXXNA-LJQANCHMSA-N 1 0 320.436 3.125 10 0 DGAERO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000079489284 431726456 /nfs/dbraw/zinc/72/64/56/431726456.db2.gz GHWSDVPEYGFVQG-GJZGRUSLSA-N 1 0 306.425 3.072 10 0 DGAERO CCO[C@@H]1C[C@@H](N(C)Cc2nc(CC(C)C)no2)C12CCCC2 ZINC000121196038 431753072 /nfs/dbraw/zinc/75/30/72/431753072.db2.gz LJKRWZMYTJFKKJ-HUUCEWRRSA-N 1 0 321.465 3.438 10 0 DGAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(C)nn(C)c2C)C12CCCC2 ZINC000121224394 431755466 /nfs/dbraw/zinc/75/54/66/431755466.db2.gz WVQPPASRMNTCEW-DLBZAZTESA-N 1 0 305.466 3.207 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119870665 431717815 /nfs/dbraw/zinc/71/78/15/431717815.db2.gz FPUSEHWSLZVFMD-IEBWSBKVSA-N 1 0 324.509 3.042 10 0 DGAERO CCOc1c(F)cccc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000079295031 431718275 /nfs/dbraw/zinc/71/82/75/431718275.db2.gz JRYSWLYRHCYVRM-UHFFFAOYSA-N 1 0 322.424 3.219 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000079291584 431720000 /nfs/dbraw/zinc/72/00/00/431720000.db2.gz LVKHRNQRHKOYCS-CQSZACIVSA-N 1 0 323.868 3.356 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCO[C@@H]1CCOC1)CCCO2 ZINC000119111415 280676820 /nfs/dbraw/zinc/67/68/20/280676820.db2.gz CNILYSSHAAHWQF-AEFFLSMTSA-N 1 0 319.445 3.302 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc2[nH]ccc21 ZINC000081564815 431793633 /nfs/dbraw/zinc/79/36/33/431793633.db2.gz FMPGYBWVJCDEFX-INIZCTEOSA-N 1 0 321.424 3.071 10 0 DGAERO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000121543332 431800956 /nfs/dbraw/zinc/80/09/56/431800956.db2.gz FMGPLKUHZFMKJX-ZFWWWQNUSA-N 1 0 321.367 3.364 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000033222964 431810049 /nfs/dbraw/zinc/81/00/49/431810049.db2.gz UOCOIJLSUVRSSR-GOSISDBHSA-N 1 0 307.397 3.201 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1c3ccccc3C[C@@H]1C)CC2 ZINC000180535236 280732849 /nfs/dbraw/zinc/73/28/49/280732849.db2.gz YOZOBWZBVHOYBO-JOQOYGCGSA-N 1 0 310.445 3.239 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](C[C@H](O)C(F)(F)F)C2)n1 ZINC000121373372 431778976 /nfs/dbraw/zinc/77/89/76/431778976.db2.gz IUWOQFHEHAQGNV-JQWIXIFHSA-N 1 0 322.396 3.369 10 0 DGAERO COc1ccc(CN(C)[C@H](C)c2nc(C(C)(C)C)no2)cc1O ZINC000080985484 431780617 /nfs/dbraw/zinc/78/06/17/431780617.db2.gz UFRJDEYKFRGAIJ-LLVKDONJSA-N 1 0 319.405 3.274 10 0 DGAERO [NH3+]Cc1ccc(C(=O)Nc2cc(Br)ccc2F)cc1 ZINC000036752446 431841063 /nfs/dbraw/zinc/84/10/63/431841063.db2.gz YJYICJWKUVWXJT-UHFFFAOYSA-N 1 0 323.165 3.299 10 0 DGAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000036959734 431843106 /nfs/dbraw/zinc/84/31/06/431843106.db2.gz OXZQJSMHOJOTEY-QWRGUYRKSA-N 1 0 313.239 3.014 10 0 DGAERO CC[C@@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000122859077 431847118 /nfs/dbraw/zinc/84/71/18/431847118.db2.gz BZKUBSFLLSUNSU-RISCZKNCSA-N 1 0 317.260 3.431 10 0 DGAERO CC(C)[NH2+]CCC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000037618453 431849095 /nfs/dbraw/zinc/84/90/95/431849095.db2.gz MGXCQIUYTHZEGC-LLVKDONJSA-N 1 0 313.239 3.014 10 0 DGAERO Cc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(C)c1F ZINC000122965692 431850412 /nfs/dbraw/zinc/85/04/12/431850412.db2.gz YYKBWTLRRXLKCJ-MQVJKMGUSA-N 1 0 304.409 3.188 10 0 DGAERO O=C(c1ccc(F)cc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916898 431851718 /nfs/dbraw/zinc/85/17/18/431851718.db2.gz FOJBVZKTZGFBCN-IAQYHMDHSA-N 1 0 310.800 3.083 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c(F)c2)C1 ZINC000087292377 431853066 /nfs/dbraw/zinc/85/30/66/431853066.db2.gz UINOBEMOQFUESU-GDBMZVCRSA-N 1 0 321.440 3.321 10 0 DGAERO CCOC(=O)CC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000038012414 431853261 /nfs/dbraw/zinc/85/32/61/431853261.db2.gz OVURDXPGVYSSJC-SNVBAGLBSA-N 1 0 300.196 3.053 10 0 DGAERO CC1(C)CC(NC(=O)c2scnc2C2CC2)CC(C)(C)[NH2+]1 ZINC000089648257 431873522 /nfs/dbraw/zinc/87/35/22/431873522.db2.gz RUIHMTYXCFGRKA-UHFFFAOYSA-N 1 0 307.463 3.060 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000089129688 431860133 /nfs/dbraw/zinc/86/01/33/431860133.db2.gz YSTRKTFBCOPCEM-DOMZBBRYSA-N 1 0 324.490 3.005 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000089640629 431873642 /nfs/dbraw/zinc/87/36/42/431873642.db2.gz MNPPPBPNHGLKRX-CXAGYDPISA-N 1 0 314.454 3.391 10 0 DGAERO Cc1cc(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000089236628 431862123 /nfs/dbraw/zinc/86/21/23/431862123.db2.gz HYQVXCFEPGQTQJ-ALOPSCKCSA-N 1 0 300.446 3.357 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc(C)n1-c1ccccc1 ZINC000123410655 431863771 /nfs/dbraw/zinc/86/37/71/431863771.db2.gz NHQDVAIVSLTMGC-SFHVURJKSA-N 1 0 312.461 3.097 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)n1 ZINC000089518979 431868471 /nfs/dbraw/zinc/86/84/71/431868471.db2.gz QZQGGPQQRRKGIY-QMMMGPOBSA-N 1 0 315.295 3.012 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000123602848 431869412 /nfs/dbraw/zinc/86/94/12/431869412.db2.gz DIBTYGKONUVWQN-JSGCOSHPSA-N 1 0 316.367 3.500 10 0 DGAERO CCCCSCCC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000122174876 431818838 /nfs/dbraw/zinc/81/88/38/431818838.db2.gz DHMXNPQOBIVHLB-GJZGRUSLSA-N 1 0 300.512 3.099 10 0 DGAERO COc1cccc(N(C(C)=O)C2CC[NH+](CC(C)C)CC2)c1 ZINC000034683133 431819283 /nfs/dbraw/zinc/81/92/83/431819283.db2.gz BUPHXUFOBDOWJP-UHFFFAOYSA-N 1 0 304.434 3.169 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCC3)[C@H](C)C1 ZINC000122232335 431822967 /nfs/dbraw/zinc/82/29/67/431822967.db2.gz FQNOIVPDWFLVNM-OCCSQVGLSA-N 1 0 306.475 3.039 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(C(N)=O)c1)CCCO2 ZINC000122253990 431823008 /nfs/dbraw/zinc/82/30/08/431823008.db2.gz HAYROCDNDPTGJL-GOSISDBHSA-N 1 0 324.424 3.406 10 0 DGAERO CCC[C@H](C(=O)Nc1cccc(CC(F)(F)F)c1)[NH+](C)C ZINC000122430919 431832796 /nfs/dbraw/zinc/83/27/96/431832796.db2.gz CEWHYZHZHIRYGV-CYBMUJFWSA-N 1 0 302.340 3.460 10 0 DGAERO CC(C)CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036095544 431836060 /nfs/dbraw/zinc/83/60/60/431836060.db2.gz FQSYNHJOWVCJPO-SFHVURJKSA-N 1 0 311.441 3.460 10 0 DGAERO Cc1ccc(C[N@H+](C[C@H](O)COCc2ccco2)C2CC2)s1 ZINC000036101277 431836066 /nfs/dbraw/zinc/83/60/66/431836066.db2.gz UCCIJVZPCXWLQK-HNNXBMFYSA-N 1 0 321.442 3.192 10 0 DGAERO Cc1ccc(CCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000036191516 431836382 /nfs/dbraw/zinc/83/63/82/431836382.db2.gz KSGQFBNOPRXUPV-LJQANCHMSA-N 1 0 310.441 3.347 10 0 DGAERO CCCN(CC[NH+](CC)CC)Cc1nc(C2CCCC2)no1 ZINC000122618558 431839707 /nfs/dbraw/zinc/83/97/07/431839707.db2.gz RKUSGXKUTBLCED-UHFFFAOYSA-N 1 0 308.470 3.281 10 0 DGAERO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000047297101 431907986 /nfs/dbraw/zinc/90/79/86/431907986.db2.gz XJZNVSDHJRDHPU-UHFFFAOYSA-N 1 0 324.424 3.368 10 0 DGAERO CCN(CC)[C@@H](C)C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092560480 431909445 /nfs/dbraw/zinc/90/94/45/431909445.db2.gz LNYYVMZJQAVVAE-FHERZECASA-N 1 0 312.498 3.207 10 0 DGAERO C[C@H]1CCCCN1CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092561312 431910034 /nfs/dbraw/zinc/91/00/34/431910034.db2.gz JTPWDOWSHWEAIH-GTPINHCMSA-N 1 0 324.509 3.351 10 0 DGAERO CC(C)(C)[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(F)cc1 ZINC000124973067 431910079 /nfs/dbraw/zinc/91/00/79/431910079.db2.gz UKKLSYNBMPWXCN-OAHLLOKOSA-N 1 0 307.413 3.046 10 0 DGAERO CC(C)[C@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000047684911 431914883 /nfs/dbraw/zinc/91/48/83/431914883.db2.gz BOMFOYBAIWZBAA-HNNXBMFYSA-N 1 0 305.466 3.371 10 0 DGAERO O=C(NCCC1CCCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047883223 431916112 /nfs/dbraw/zinc/91/61/12/431916112.db2.gz VLGKWASUGOFEJV-MRXNPFEDSA-N 1 0 319.449 3.296 10 0 DGAERO c1ccc2nc(OCC[C@@H]3CCCC[NH2+]3)c(NC3CC3)nc2c1 ZINC000095092476 431921917 /nfs/dbraw/zinc/92/19/17/431921917.db2.gz RCTFEBRHCQVVPI-ZDUSSCGKSA-N 1 0 312.417 3.115 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3cccnn3)C1)CC2 ZINC000089732470 431876388 /nfs/dbraw/zinc/87/63/88/431876388.db2.gz JRMPAWZOBPNEPC-SJLPKXTDSA-N 1 0 308.429 3.031 10 0 DGAERO CC(C)[C@H](O)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000123883642 431876773 /nfs/dbraw/zinc/87/67/73/431876773.db2.gz QVOZPDAKGSRSKL-IUODEOHRSA-N 1 0 301.377 3.216 10 0 DGAERO C[NH+](C)C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000123972987 431879670 /nfs/dbraw/zinc/87/96/70/431879670.db2.gz NSQFSBGYCUUIKC-UHFFFAOYSA-N 1 0 316.367 3.154 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000090186938 431889874 /nfs/dbraw/zinc/88/98/74/431889874.db2.gz VYHQDYSVUQSBPQ-IINYFYTJSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)CCSc2ccccc2F)CC[N@@H+]1C ZINC000124434147 431893748 /nfs/dbraw/zinc/89/37/48/431893748.db2.gz OVEYYLJDCVZMQD-KBPBESRZSA-N 1 0 324.465 3.249 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000046279647 431896367 /nfs/dbraw/zinc/89/63/67/431896367.db2.gz XCBBGHFTRHTQSF-LBPRGKRZSA-N 1 0 311.401 3.076 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000046279071 431896534 /nfs/dbraw/zinc/89/65/34/431896534.db2.gz VUDMXSAUZGMPMU-YOEHRIQHSA-N 1 0 303.450 3.046 10 0 DGAERO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)[C@H]1CCCO1 ZINC000090858694 431896873 /nfs/dbraw/zinc/89/68/73/431896873.db2.gz JUFLAILRTRWZQU-XLWVJDPXSA-N 1 0 320.433 3.262 10 0 DGAERO Cc1ncc(CN2CC[NH+](CCc3ccc(C)cc3)CC2)s1 ZINC000124582977 431897971 /nfs/dbraw/zinc/89/79/71/431897971.db2.gz MVYNRVICICKUNM-UHFFFAOYSA-N 1 0 315.486 3.120 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000091060992 431901234 /nfs/dbraw/zinc/90/12/34/431901234.db2.gz HNCOVVKFTRZGJA-SFHVURJKSA-N 1 0 301.434 3.149 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000124763330 431903487 /nfs/dbraw/zinc/90/34/87/431903487.db2.gz MFQFJWWXMVLFID-KSSFIOAISA-N 1 0 300.446 3.120 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1nc2ccccc2n1C ZINC000091403657 431903878 /nfs/dbraw/zinc/90/38/78/431903878.db2.gz QGAUKVUZOHUVCD-JKSUJKDBSA-N 1 0 314.477 3.344 10 0 DGAERO O=C(c1cccc(Cl)c1F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000124828755 431905976 /nfs/dbraw/zinc/90/59/76/431905976.db2.gz SHEOYGAKYAQBQA-BXUZGUMPSA-N 1 0 310.800 3.083 10 0 DGAERO CCOC(C[NH+]1CCC(Nc2ccc(F)cc2)CC1)OCC ZINC000124893541 431907408 /nfs/dbraw/zinc/90/74/08/431907408.db2.gz WRJIEDCOFXRMPY-UHFFFAOYSA-N 1 0 310.413 3.101 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNCc2ccc(Br)c(F)c2)C1 ZINC000127403091 431971286 /nfs/dbraw/zinc/97/12/86/431971286.db2.gz UVZWOMAGJQFVKI-LBPRGKRZSA-N 1 0 315.230 3.020 10 0 DGAERO CC[N@@H+]1CC[C@H](CNCc2ccc(Br)c(F)c2)C1 ZINC000127402840 431971965 /nfs/dbraw/zinc/97/19/65/431971965.db2.gz UVZWOMAGJQFVKI-GFCCVEGCSA-N 1 0 315.230 3.020 10 0 DGAERO CSc1ccc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000127523701 431974383 /nfs/dbraw/zinc/97/43/83/431974383.db2.gz ASVBAQVEKUJWNI-ZIAGYGMSSA-N 1 0 306.475 3.272 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)n1 ZINC000127697062 431978079 /nfs/dbraw/zinc/97/80/79/431978079.db2.gz OSFQBQLFDUBWCX-CYBMUJFWSA-N 1 0 321.490 3.067 10 0 DGAERO CC[C@H](C)[N@H+](Cc1ccncc1)CC(C)(C)CN1CCOCC1 ZINC000055211697 431978235 /nfs/dbraw/zinc/97/82/35/431978235.db2.gz ZHQPHXIKECHBBW-KRWDZBQOSA-N 1 0 319.493 3.041 10 0 DGAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@]1(CCO)CCOC1 ZINC000125519632 431928655 /nfs/dbraw/zinc/92/86/55/431928655.db2.gz BNGQBPHDFQVILV-LRDDRELGSA-N 1 0 312.479 3.015 10 0 DGAERO CCCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000125703380 431933522 /nfs/dbraw/zinc/93/35/22/431933522.db2.gz LPMSDHNEYXHHTB-CQSZACIVSA-N 1 0 323.412 3.220 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(Cl)ccc1Cl ZINC000125801345 431936139 /nfs/dbraw/zinc/93/61/39/431936139.db2.gz LJSCXRLGXIAZKT-XHDPSFHLSA-N 1 0 318.244 3.433 10 0 DGAERO O=C(c1ccc(Cl)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073840 431936514 /nfs/dbraw/zinc/93/65/14/431936514.db2.gz IQLVJJJUNOLFHC-UHFFFAOYSA-N 1 0 306.837 3.288 10 0 DGAERO Cc1sc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)nc(N)c2c1C ZINC000049933638 431944885 /nfs/dbraw/zinc/94/48/85/431944885.db2.gz XWJDSXOXRYEGCA-UWVGGRQHSA-N 1 0 304.463 3.368 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1 ZINC000050395104 431947033 /nfs/dbraw/zinc/94/70/33/431947033.db2.gz HWXKAIBPZMLVOZ-QWHCGFSZSA-N 1 0 301.217 3.313 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000126562237 431953470 /nfs/dbraw/zinc/95/34/70/431953470.db2.gz VTNYASANPBNMIR-LVQVYYBASA-N 1 0 318.486 3.245 10 0 DGAERO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1F ZINC000126851662 431959454 /nfs/dbraw/zinc/95/94/54/431959454.db2.gz SYUHQIMXSHSDHS-HNNXBMFYSA-N 1 0 318.436 3.048 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3cc(Br)cs3)no2)C1 ZINC000097068430 431959461 /nfs/dbraw/zinc/95/94/61/431959461.db2.gz GXLCEZUFESGPTD-HTRCEHHLSA-N 1 0 314.208 3.155 10 0 DGAERO CC(C)COC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000054328538 431969357 /nfs/dbraw/zinc/96/93/57/431969357.db2.gz PJJCMBVRWUMZLI-UHFFFAOYSA-N 1 0 322.424 3.291 10 0 DGAERO CC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000097491327 431970002 /nfs/dbraw/zinc/97/00/02/431970002.db2.gz JPKLINWSDXEKBE-LBPRGKRZSA-N 1 0 306.372 3.052 10 0 DGAERO Fc1cc(-c2ccncc2)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000127883385 431983124 /nfs/dbraw/zinc/98/31/24/431983124.db2.gz QTSFIPWUNHNGOJ-UHFFFAOYSA-N 1 0 311.404 3.168 10 0 DGAERO COc1ccc(CC[NH2+][C@@H](c2nccn2C)C2CC2)c(Cl)c1 ZINC000127801621 431981864 /nfs/dbraw/zinc/98/18/64/431981864.db2.gz DOTWVYAXACLKNC-MRXNPFEDSA-N 1 0 319.836 3.366 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)[C@H](C)C2 ZINC000180076828 281116329 /nfs/dbraw/zinc/11/63/29/281116329.db2.gz WOTPOLDBKWXBMZ-DNVCBOLYSA-N 1 0 314.473 3.465 10 0 DGAERO Cc1ccccc1[C@@H](C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000128005438 431985366 /nfs/dbraw/zinc/98/53/66/431985366.db2.gz AEIMGMGQWIXZPK-MRXNPFEDSA-N 1 0 310.445 3.447 10 0 DGAERO CCCCOc1cc(C[N@H+](C)C[C@H]2CCCO2)ccc1OC ZINC000128043443 431986728 /nfs/dbraw/zinc/98/67/28/431986728.db2.gz VBOZPYKRAFMJOU-MRXNPFEDSA-N 1 0 307.434 3.485 10 0 DGAERO CC[NH+](CC)[C@H](C)CNCc1csc(Br)c1 ZINC000128203450 431989559 /nfs/dbraw/zinc/98/95/59/431989559.db2.gz UJIHHKYQJZZODB-SNVBAGLBSA-N 1 0 305.285 3.331 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000056941477 431989758 /nfs/dbraw/zinc/98/97/58/431989758.db2.gz SWIFMSSXKFPKED-GDBMZVCRSA-N 1 0 321.852 3.111 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000056941476 431989970 /nfs/dbraw/zinc/98/99/70/431989970.db2.gz SWIFMSSXKFPKED-GOEBONIOSA-N 1 0 321.852 3.111 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(F)c(Cl)c1 ZINC000102046075 431990983 /nfs/dbraw/zinc/99/09/83/431990983.db2.gz KWAQZEFYUWTJSP-LLVKDONJSA-N 1 0 315.820 3.009 10 0 DGAERO Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000128270832 431991157 /nfs/dbraw/zinc/99/11/57/431991157.db2.gz KRQZWMYXWOPMHL-MRXNPFEDSA-N 1 0 321.428 3.200 10 0 DGAERO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)C1CC1 ZINC000128282515 431991344 /nfs/dbraw/zinc/99/13/44/431991344.db2.gz SZNWPOYTBSYQPE-YJBOKZPZSA-N 1 0 310.445 3.085 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)cn1 ZINC000128426953 431993474 /nfs/dbraw/zinc/99/34/74/431993474.db2.gz XDKOJCTXSXNEGK-HNNXBMFYSA-N 1 0 311.429 3.123 10 0 DGAERO COc1ccc(CC2CC[NH+](Cc3cnoc3C)CC2)cc1 ZINC000128426037 431993499 /nfs/dbraw/zinc/99/34/99/431993499.db2.gz CQWOHOGKVZTNPA-UHFFFAOYSA-N 1 0 300.402 3.446 10 0 DGAERO CCc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000128414243 431993514 /nfs/dbraw/zinc/99/35/14/431993514.db2.gz WSLYYIBSMBCEOW-XJKSGUPXSA-N 1 0 323.506 3.182 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(Cl)c3F)CC[C@H]21 ZINC000248118426 432268925 /nfs/dbraw/zinc/26/89/25/432268925.db2.gz NATKVTHZJMZWGE-SMDDNHRTSA-N 1 0 310.800 3.035 10 0 DGAERO Cc1ccc2c(C[NH2+][C@H](C)[C@@H]3CCCO3)cc(=O)oc2c1C ZINC000183224884 432270032 /nfs/dbraw/zinc/27/00/32/432270032.db2.gz JFCDZLRNTXAVQE-CJNGLKHVSA-N 1 0 301.386 3.067 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000248143553 432270905 /nfs/dbraw/zinc/27/09/05/432270905.db2.gz PXIMCVSRNLABAN-QLFBSQMISA-N 1 0 315.335 3.466 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1 ZINC000173332982 432272143 /nfs/dbraw/zinc/27/21/43/432272143.db2.gz PCRZVYJEZUQYDG-HUUCEWRRSA-N 1 0 307.825 3.431 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1Cl ZINC000248168633 432274377 /nfs/dbraw/zinc/27/43/77/432274377.db2.gz UHFWAHRSMDZRDT-XYPHTWIQSA-N 1 0 309.837 3.000 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000248217872 432275250 /nfs/dbraw/zinc/27/52/50/432275250.db2.gz ZZJWBXFJQRADGL-XDNAFOTISA-N 1 0 321.436 3.176 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248201548 432275873 /nfs/dbraw/zinc/27/58/73/432275873.db2.gz YXBIZZIRGGIAJA-DYVFJYSZSA-N 1 0 313.445 3.243 10 0 DGAERO Cc1cccc2[nH]cc(CC[NH2+][C@@H](c3nccn3C)C3CC3)c21 ZINC000183268749 432276754 /nfs/dbraw/zinc/27/67/54/432276754.db2.gz PIMHSPSXXMAVAK-GOSISDBHSA-N 1 0 308.429 3.493 10 0 DGAERO CCOCCN1CC[N@@H+]([C@@H](C)CCc2cccc(F)c2)C[C@@H]1C ZINC000183277351 432277871 /nfs/dbraw/zinc/27/78/71/432277871.db2.gz IOAIRCBSKYGTSK-IRXDYDNUSA-N 1 0 322.468 3.189 10 0 DGAERO Nc1cc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)ccn1 ZINC000191590560 432281233 /nfs/dbraw/zinc/28/12/33/432281233.db2.gz AUBVSUYHIBKFGG-INIZCTEOSA-N 1 0 313.376 3.040 10 0 DGAERO Cc1nc(C[N@H+]2CCC[C@]2(CO)CC(C)C)nc2ccccc12 ZINC000191650482 432287603 /nfs/dbraw/zinc/28/76/03/432287603.db2.gz CHEKEGOXAHSINT-LJQANCHMSA-N 1 0 313.445 3.311 10 0 DGAERO C[C@H](CCNC(=O)Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000173594388 432289480 /nfs/dbraw/zinc/28/94/80/432289480.db2.gz RMTCZLHCCQUDEM-QGZVFWFLSA-N 1 0 310.441 3.256 10 0 DGAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000183405567 432289824 /nfs/dbraw/zinc/28/98/24/432289824.db2.gz TVGAVCVHJCJROT-ABAIWWIYSA-N 1 0 319.417 3.075 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000151930071 432291207 /nfs/dbraw/zinc/29/12/07/432291207.db2.gz IHTRYPJWQZAIPW-BZSNNMDCSA-N 1 0 300.446 3.124 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCCC(=O)OC(C)(C)C ZINC000248447866 432293043 /nfs/dbraw/zinc/29/30/43/432293043.db2.gz HOJQBSXJWJVTJY-HOTGVXAUSA-N 1 0 310.482 3.057 10 0 DGAERO CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000183456514 432294180 /nfs/dbraw/zinc/29/41/80/432294180.db2.gz CLUXDNSOTJJJJX-INIZCTEOSA-N 1 0 306.475 3.202 10 0 DGAERO C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000173713515 432295543 /nfs/dbraw/zinc/29/55/43/432295543.db2.gz HXSZNLFBNGCRSM-OAHLLOKOSA-N 1 0 318.436 3.264 10 0 DGAERO CC[C@@H]1CCC[C@H](C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000248490863 432295953 /nfs/dbraw/zinc/29/59/53/432295953.db2.gz NQNMQRKODDXUOH-HSALFYBXSA-N 1 0 321.553 3.305 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC(c2ccccc2)CC1 ZINC000183494067 432297574 /nfs/dbraw/zinc/29/75/74/432297574.db2.gz FRJBJSOKFQBIML-UHFFFAOYSA-N 1 0 309.413 3.167 10 0 DGAERO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248551623 432300067 /nfs/dbraw/zinc/30/00/67/432300067.db2.gz KQFBTHSGIDRBQQ-UIBIWLFHSA-N 1 0 317.477 3.090 10 0 DGAERO CCOc1cccc([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)c1 ZINC000183544199 432301667 /nfs/dbraw/zinc/30/16/67/432301667.db2.gz MBCMXNXGHABGMS-ZDUSSCGKSA-N 1 0 313.401 3.037 10 0 DGAERO CCC[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)OCC ZINC000173838286 432302344 /nfs/dbraw/zinc/30/23/44/432302344.db2.gz ZHSZNSSTOREJFL-SFHVURJKSA-N 1 0 318.461 3.104 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C)cc2C)[C@H](C)C1 ZINC000128508983 431995295 /nfs/dbraw/zinc/99/52/95/431995295.db2.gz RCWMKJOGMZQRHH-SJLPKXTDSA-N 1 0 317.477 3.175 10 0 DGAERO CC[NH+](CC)CCCN1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000191794817 432302771 /nfs/dbraw/zinc/30/27/71/432302771.db2.gz UUFPUTKUQGWCDO-YJBOKZPZSA-N 1 0 308.441 3.319 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000102888836 432000102 /nfs/dbraw/zinc/00/01/02/432000102.db2.gz GHSOESXSXIJDOI-HNNXBMFYSA-N 1 0 322.330 3.137 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CC[NH+](CC(C)C)CC2)s1 ZINC000183561407 432302837 /nfs/dbraw/zinc/30/28/37/432302837.db2.gz SWFNZQUTSILIKF-UHFFFAOYSA-N 1 0 321.412 3.244 10 0 DGAERO O=C(N[C@@H]1CCCc2sccc21)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000061365753 432001577 /nfs/dbraw/zinc/00/15/77/432001577.db2.gz NQKCCZHRSOCQON-MHEUCROKSA-N 1 0 304.459 3.162 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ncc(-c3ccccc3)o1)CC2 ZINC000248022286 432261539 /nfs/dbraw/zinc/26/15/39/432261539.db2.gz NXAXJYKLKWNMAY-LPHOPBHVSA-N 1 0 312.413 3.469 10 0 DGAERO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1SC ZINC000248014550 432261669 /nfs/dbraw/zinc/26/16/69/432261669.db2.gz LPRIFHLXEZUBLG-HZPDHXFCSA-N 1 0 320.502 3.333 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)NCc2nc(C3CC3)no2)cc1 ZINC000183142115 432262559 /nfs/dbraw/zinc/26/25/59/432262559.db2.gz IBLHWMYEKBOUCA-GFCCVEGCSA-N 1 0 323.400 3.292 10 0 DGAERO COc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248029172 432264501 /nfs/dbraw/zinc/26/45/01/432264501.db2.gz QAIIZULDVQVWCK-WMLDXEAASA-N 1 0 309.837 3.476 10 0 DGAERO Cc1cccc(NC[C@@H]2CCN(c3nc4ccccc4[nH]3)C2)[nH+]1 ZINC000270602703 432264623 /nfs/dbraw/zinc/26/46/23/432264623.db2.gz WEPDKAOWALIVJQ-AWEZNQCLSA-N 1 0 307.401 3.205 10 0 DGAERO CCOC(=O)CCCC[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183164115 432264690 /nfs/dbraw/zinc/26/46/90/432264690.db2.gz VWQLOBKWSUWRJI-OAHLLOKOSA-N 1 0 315.417 3.256 10 0 DGAERO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000248072712 432266087 /nfs/dbraw/zinc/26/60/87/432266087.db2.gz BHXOXQNZYZBVBI-UHFFFAOYSA-N 1 0 318.392 3.403 10 0 DGAERO CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248081095 432267201 /nfs/dbraw/zinc/26/72/01/432267201.db2.gz RVAYDFGJXPYQHK-CVEARBPZSA-N 1 0 303.450 3.310 10 0 DGAERO COc1ccc(CC[N@@H+](Cc2cocn2)CC(C)C)cc1OC ZINC000191943997 432317015 /nfs/dbraw/zinc/31/70/15/432317015.db2.gz ZRRPWOGTBVWMKU-UHFFFAOYSA-N 1 0 318.417 3.393 10 0 DGAERO COc1cc(C[N@H+](C)[C@H](C)c2ccncc2)cc2c1OCCO2 ZINC000183711515 432319215 /nfs/dbraw/zinc/31/92/15/432319215.db2.gz SFYCDQDIQZKGTB-CYBMUJFWSA-N 1 0 314.385 3.054 10 0 DGAERO O[C@H](CNC1c2ccccc2-c2ccccc21)C[NH+]1CCCCC1 ZINC000183714117 432319488 /nfs/dbraw/zinc/31/94/88/432319488.db2.gz QWXUDODNRBHSTE-MRXNPFEDSA-N 1 0 322.452 3.193 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000248813192 432320116 /nfs/dbraw/zinc/32/01/16/432320116.db2.gz DAXXNBQLVOXXNJ-YJBOKZPZSA-N 1 0 315.486 3.389 10 0 DGAERO CSCc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1F ZINC000174111691 432321341 /nfs/dbraw/zinc/32/13/41/432321341.db2.gz USCLPXLLJZHIBI-ZDUSSCGKSA-N 1 0 324.465 3.150 10 0 DGAERO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248834312 432322419 /nfs/dbraw/zinc/32/24/19/432322419.db2.gz ZWHYAANUAHDCMA-NWDGAFQWSA-N 1 0 308.388 3.152 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000248857408 432324382 /nfs/dbraw/zinc/32/43/82/432324382.db2.gz AIPPDRYBPXRVQA-IAGOWNOFSA-N 1 0 305.466 3.115 10 0 DGAERO COc1ccc(Cl)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000192029245 432325251 /nfs/dbraw/zinc/32/52/51/432325251.db2.gz QBILXHKJLYYBKY-LBPRGKRZSA-N 1 0 305.809 3.072 10 0 DGAERO C=Cn1cc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000248880376 432326097 /nfs/dbraw/zinc/32/60/97/432326097.db2.gz KPEGRTYNJVIUFG-SJORKVTESA-N 1 0 302.466 3.070 10 0 DGAERO COc1ccc(-c2nc(C[N@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)co2)cc1 ZINC000248892988 432327862 /nfs/dbraw/zinc/32/78/62/432327862.db2.gz BFARNNHMMBOFHT-YWVIFJGQSA-N 1 0 316.401 3.084 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(F)c(CSC)c1 ZINC000174228636 432330823 /nfs/dbraw/zinc/33/08/23/432330823.db2.gz AJHNUCLJFLTHPM-LBPRGKRZSA-N 1 0 312.454 3.149 10 0 DGAERO c1nnc([C@H]2CCC[N@@H+](Cc3nc4ccccc4o3)C2)n1C1CC1 ZINC000152435145 432332437 /nfs/dbraw/zinc/33/24/37/432332437.db2.gz XPNOHYYANSSCQH-ZDUSSCGKSA-N 1 0 323.400 3.134 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccsc2)[C@H]1c1ccccc1 ZINC000249009970 432333018 /nfs/dbraw/zinc/33/30/18/432333018.db2.gz INIAVSOLHHHGRU-LSDHHAIUSA-N 1 0 301.415 3.315 10 0 DGAERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000183913654 432333409 /nfs/dbraw/zinc/33/34/09/432333409.db2.gz UYNXQNCCZBMEEL-ZDUSSCGKSA-N 1 0 307.438 3.208 10 0 DGAERO CCCC1CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000174286214 432334135 /nfs/dbraw/zinc/33/41/35/432334135.db2.gz FYTAQODCWDXWMC-JCYILVPMSA-N 1 0 305.466 3.001 10 0 DGAERO Cc1cnc(C(C)(C)[NH2+]C[C@H](O)c2cc(F)ccc2F)s1 ZINC000183927325 432334605 /nfs/dbraw/zinc/33/46/05/432334605.db2.gz SHZHFWXGWAJMOG-ZDUSSCGKSA-N 1 0 312.385 3.288 10 0 DGAERO CSCc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1F ZINC000174283898 432335513 /nfs/dbraw/zinc/33/55/13/432335513.db2.gz DEFYAUPEZCOTES-LRDDRELGSA-N 1 0 324.465 3.101 10 0 DGAERO C[C@H](c1cccc(F)c1)N1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000249067164 432336253 /nfs/dbraw/zinc/33/62/53/432336253.db2.gz KJBBAZPQGKNARC-RKVPGOIHSA-N 1 0 306.425 3.072 10 0 DGAERO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[C@@H]3OCC[C@H]31)C2 ZINC000249104462 432339940 /nfs/dbraw/zinc/33/99/40/432339940.db2.gz VCUZJSFIFDJDKP-RMRDIRSESA-N 1 0 301.430 3.100 10 0 DGAERO c1csc([C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)c2ncc[nH]2)c1 ZINC000249112110 432340172 /nfs/dbraw/zinc/34/01/72/432340172.db2.gz RFCPWLYMZHXYJP-GUTXKFCHSA-N 1 0 303.431 3.108 10 0 DGAERO O=C1OCC[C@@H]1CC[N@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000249119199 432340565 /nfs/dbraw/zinc/34/05/65/432340565.db2.gz SKPFABBKDPQWMU-STQMWFEESA-N 1 0 309.356 3.097 10 0 DGAERO FC(F)(F)c1ccccc1[C@H]1CN(C[C@@H]2CCCO2)CCO1 ZINC000184004542 432344606 /nfs/dbraw/zinc/34/46/06/432344606.db2.gz SPCOYCCMBMNHCL-SWLSCSKDSA-N 1 0 315.335 3.258 10 0 DGAERO CCC(=O)c1cccc(NC(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000152650822 432345581 /nfs/dbraw/zinc/34/55/81/432345581.db2.gz GQDZYESNNCPCIW-ZDUSSCGKSA-N 1 0 305.422 3.131 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(Cl)s1 ZINC000249460489 432348455 /nfs/dbraw/zinc/34/84/55/432348455.db2.gz ZGPNJEGQFCVHHQ-NEPJUHHUSA-N 1 0 312.866 3.029 10 0 DGAERO COc1cc(Cl)c(C[NH2+]CC2(C)OCCCO2)cc1Cl ZINC000192250895 432349574 /nfs/dbraw/zinc/34/95/74/432349574.db2.gz SHBLOYNKXQWLLY-UHFFFAOYSA-N 1 0 320.216 3.245 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CC1(C)OCCCO1 ZINC000192249324 432350688 /nfs/dbraw/zinc/35/06/88/432350688.db2.gz ISCWCICSSIJVMO-UHFFFAOYSA-N 1 0 314.223 3.000 10 0 DGAERO COc1cccc(F)c1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000174495483 432351977 /nfs/dbraw/zinc/35/19/77/432351977.db2.gz MUUOYBBUUHHOTP-KGLIPLIRSA-N 1 0 322.424 3.276 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000152737640 432352647 /nfs/dbraw/zinc/35/26/47/432352647.db2.gz ODTYBWYVNXQLPE-HNNXBMFYSA-N 1 0 311.429 3.095 10 0 DGAERO CC(C)COC1CC[NH+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000249687244 432354057 /nfs/dbraw/zinc/35/40/57/432354057.db2.gz KLVUNDHVMGABBV-BBWFWOEESA-N 1 0 324.509 3.301 10 0 DGAERO CC[NH+](CC)CCCN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000191811479 432304517 /nfs/dbraw/zinc/30/45/17/432304517.db2.gz FQIILENJZHKQDG-UHFFFAOYSA-N 1 0 303.425 3.397 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@@H](CSc2ccccc2)C1)C(F)(F)F ZINC000248600034 432305506 /nfs/dbraw/zinc/30/55/06/432305506.db2.gz UVDLAUDRIWQHEN-DGCLKSJQSA-N 1 0 305.365 3.024 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN(C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000183589254 432306934 /nfs/dbraw/zinc/30/69/34/432306934.db2.gz MQNRHYGNJGWRTP-NSHDSACASA-N 1 0 321.412 3.244 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000270951119 432307634 /nfs/dbraw/zinc/30/76/34/432307634.db2.gz OZPLJXFACSGHNF-BUYIWHAFSA-N 1 0 318.436 3.418 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(Cc2sc(C)nc2C(F)(F)F)C1 ZINC000183603115 432308233 /nfs/dbraw/zinc/30/82/33/432308233.db2.gz ZROAUERSJPSWQP-LLVKDONJSA-N 1 0 321.412 3.244 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)C1 ZINC000183621568 432309333 /nfs/dbraw/zinc/30/93/33/432309333.db2.gz KTGKFNJRWATAFN-ROUUACIJSA-N 1 0 315.461 3.263 10 0 DGAERO CNC(=O)Cc1nc(C[NH2+][C@@H]2CCC[C@H]2CCC(C)C)cs1 ZINC000191879908 432310602 /nfs/dbraw/zinc/31/06/02/432310602.db2.gz VZNJSBUBHCBRIR-DZGCQCFKSA-N 1 0 323.506 3.126 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)C2CCOCC2)s1 ZINC000183644420 432313175 /nfs/dbraw/zinc/31/31/75/432313175.db2.gz NAXHTYJPGBIEHH-MRVPVSSYSA-N 1 0 308.369 3.375 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC2(C1)CCCCC2 ZINC000173995771 432313812 /nfs/dbraw/zinc/31/38/12/432313812.db2.gz ZHWPHIHMNUOJGG-SFHVURJKSA-N 1 0 314.473 3.342 10 0 DGAERO COC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(Cl)cc1 ZINC000248732045 432314321 /nfs/dbraw/zinc/31/43/21/432314321.db2.gz LXWZELKOKDYVKT-CAOSSQGBSA-N 1 0 309.837 3.431 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000248742291 432315605 /nfs/dbraw/zinc/31/56/05/432315605.db2.gz RHYZNMRZJJXFCL-UWVAXJGDSA-N 1 0 324.472 3.346 10 0 DGAERO Cc1nc(CC(C)C)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000153036040 432378723 /nfs/dbraw/zinc/37/87/23/432378723.db2.gz OUIOGYMEGDXHHR-OCCSQVGLSA-N 1 0 323.506 3.205 10 0 DGAERO C[C@@]([NH3+])(C(=O)NCc1ccccc1OC1CCC1)c1ccccc1 ZINC000192490291 432380067 /nfs/dbraw/zinc/38/00/67/432380067.db2.gz ZFLOYGGDBCIWGR-FQEVSTJZSA-N 1 0 324.424 3.108 10 0 DGAERO Cc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1Cl ZINC000174932824 432380685 /nfs/dbraw/zinc/38/06/85/432380685.db2.gz OVEAETBTFYUGDU-CYBMUJFWSA-N 1 0 307.825 3.350 10 0 DGAERO CN(CCc1ccccn1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000153083271 432382286 /nfs/dbraw/zinc/38/22/86/432382286.db2.gz CJVBJHWHSOEBCI-UHFFFAOYSA-N 1 0 310.376 3.081 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3ncsc3c2)CC[N@@H+]1C ZINC000174959869 432383338 /nfs/dbraw/zinc/38/33/38/432383338.db2.gz DIJZVNUUVQQFDI-AAEUAGOBSA-N 1 0 318.446 3.243 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3ncsc3c2)CC[N@@H+]1C ZINC000174959827 432383926 /nfs/dbraw/zinc/38/39/26/432383926.db2.gz DIJZVNUUVQQFDI-WCQYABFASA-N 1 0 318.446 3.243 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000184388148 432386443 /nfs/dbraw/zinc/38/64/43/432386443.db2.gz ALGKGADZDOEJEX-UKRRQHHQSA-N 1 0 316.836 3.368 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccccc1Br ZINC000252729935 432386397 /nfs/dbraw/zinc/38/63/97/432386397.db2.gz IZXQQHKOCDVVDE-DINDLPBHSA-N 1 0 318.280 3.257 10 0 DGAERO O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@]2(CC=CCC2)C1 ZINC000192553154 432387337 /nfs/dbraw/zinc/38/73/37/432387337.db2.gz VOKDIEQXJRMXQS-LJQANCHMSA-N 1 0 302.462 3.210 10 0 DGAERO O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000192553167 432387466 /nfs/dbraw/zinc/38/74/66/432387466.db2.gz VOKDIEQXJRMXQS-IBGZPJMESA-N 1 0 302.462 3.210 10 0 DGAERO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C2CCC2)CC1 ZINC000175011038 432388106 /nfs/dbraw/zinc/38/81/06/432388106.db2.gz LZKAKGIYOJMAFR-OAHLLOKOSA-N 1 0 315.461 3.406 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1C ZINC000175003689 432388139 /nfs/dbraw/zinc/38/81/39/432388139.db2.gz DKZYGTOHQAHMPE-DLBZAZTESA-N 1 0 313.445 3.020 10 0 DGAERO C[C@@H]1CCC[N@H+](CCNC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000255112468 432407349 /nfs/dbraw/zinc/40/73/49/432407349.db2.gz SRFCUAOGHLHDAC-ZSQCLPQSSA-N 1 0 304.409 3.077 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1Cl ZINC000175027761 432390100 /nfs/dbraw/zinc/39/01/00/432390100.db2.gz RKFFSCPESDGCAM-QWHCGFSZSA-N 1 0 310.800 3.178 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000175030872 432391365 /nfs/dbraw/zinc/39/13/65/432391365.db2.gz CFWHTGCMHBFJPM-HZPDHXFCSA-N 1 0 311.429 3.175 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000153218826 432392483 /nfs/dbraw/zinc/39/24/83/432392483.db2.gz ANCAPFMNIISJFF-GJZGRUSLSA-N 1 0 307.401 3.383 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(CC(C)C)n1 ZINC000175046144 432393323 /nfs/dbraw/zinc/39/33/23/432393323.db2.gz OOPPOJKUJXZNNI-UONOGXRCSA-N 1 0 321.490 3.040 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)Cc1ccccc1F ZINC000253549592 432400621 /nfs/dbraw/zinc/40/06/21/432400621.db2.gz UBNFWLQNIPOAKT-OIISXLGYSA-N 1 0 318.436 3.090 10 0 DGAERO CC(C)=C(F)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000153354952 432403417 /nfs/dbraw/zinc/40/34/17/432403417.db2.gz KSXVLBGPGBJCGH-ZDUSSCGKSA-N 1 0 310.438 3.340 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccnn1C ZINC000192709475 432403799 /nfs/dbraw/zinc/40/37/99/432403799.db2.gz XKABQMNWKPGNEP-SECBINFHSA-N 1 0 312.186 3.173 10 0 DGAERO OCc1ccc(C[NH2+][C@@H]2CCCNc3ccccc32)cc1F ZINC000192724593 432404684 /nfs/dbraw/zinc/40/46/84/432404684.db2.gz BMKLEHUVMUOBIA-GOSISDBHSA-N 1 0 300.377 3.355 10 0 DGAERO CCSc1cc(Cl)ccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184115679 432357365 /nfs/dbraw/zinc/35/73/65/432357365.db2.gz RXBWGZKHMLLYMH-CYBMUJFWSA-N 1 0 324.877 3.372 10 0 DGAERO Cc1ccc2cc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)ccc2n1 ZINC000249773963 432357966 /nfs/dbraw/zinc/35/79/66/432357966.db2.gz JZQIVNYWGZCVEP-MSOLQXFVSA-N 1 0 314.454 3.250 10 0 DGAERO COc1cc([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)ccc1F ZINC000152801013 432358122 /nfs/dbraw/zinc/35/81/22/432358122.db2.gz YALQGCHSCLZTNK-NSHDSACASA-N 1 0 317.364 3.176 10 0 DGAERO Cc1cc(C[N@@H+]2C[C@@H](CO)[C@@H](c3ccsc3)C2)ccc1F ZINC000249838661 432360283 /nfs/dbraw/zinc/36/02/83/432360283.db2.gz FSQCSIKRDQHKEW-JKSUJKDBSA-N 1 0 305.418 3.404 10 0 DGAERO CC[NH+](CC)CCOc1cc(NCc2cocn2)ccc1OC ZINC000192330105 432360835 /nfs/dbraw/zinc/36/08/35/432360835.db2.gz GDGUPJQPBMDSHD-UHFFFAOYSA-N 1 0 319.405 3.016 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1nccs1 ZINC000153415099 432406855 /nfs/dbraw/zinc/40/68/55/432406855.db2.gz WVIKURNPRVLDNO-DZKIICNBSA-N 1 0 316.474 3.099 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000250099728 432364411 /nfs/dbraw/zinc/36/44/11/432364411.db2.gz FMQRPTRHRHDXFN-TUKIKUTGSA-N 1 0 310.235 3.187 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000152931443 432368205 /nfs/dbraw/zinc/36/82/05/432368205.db2.gz WISUDWYDWJKRRE-LJQANCHMSA-N 1 0 323.440 3.239 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(Cl)cc1 ZINC000251504273 432369767 /nfs/dbraw/zinc/36/97/67/432369767.db2.gz FWDMQINLPDTWBA-IXDOHACOSA-N 1 0 319.836 3.343 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000175361535 432428286 /nfs/dbraw/zinc/42/82/86/432428286.db2.gz ASEWKNDWAVBNMC-CABCVRRESA-N 1 0 319.449 3.340 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1F ZINC000192935458 432431310 /nfs/dbraw/zinc/43/13/10/432431310.db2.gz QHDASNNDTZLQAU-LSDHHAIUSA-N 1 0 303.377 3.225 10 0 DGAERO COc1ccc(CC[NH2+]Cc2cccc3c2NCC3)cc1OC ZINC000261615854 432435337 /nfs/dbraw/zinc/43/53/37/432435337.db2.gz ABNAUWFPUOTINM-UHFFFAOYSA-N 1 0 312.413 3.004 10 0 DGAERO Cc1cc(Cl)cc(C)c1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261634758 432436185 /nfs/dbraw/zinc/43/61/85/432436185.db2.gz FSKOMPKZZORKEB-GOSISDBHSA-N 1 0 315.848 3.498 10 0 DGAERO c1cc2c(c(C[N@@H+]3CCC[C@H](c4noc(C5CC5)n4)C3)c1)NCC2 ZINC000261642279 432437092 /nfs/dbraw/zinc/43/70/92/432437092.db2.gz AIMXMNOMSOPVFR-INIZCTEOSA-N 1 0 324.428 3.295 10 0 DGAERO CCC1(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCC1 ZINC000175466494 432438612 /nfs/dbraw/zinc/43/86/12/432438612.db2.gz PRTLKGMRGZVFMS-INIZCTEOSA-N 1 0 318.436 3.487 10 0 DGAERO Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000153742828 432439027 /nfs/dbraw/zinc/43/90/27/432439027.db2.gz YZFVCOIXPLVQED-GUYCJALGSA-N 1 0 316.836 3.331 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000184878728 432441088 /nfs/dbraw/zinc/44/10/88/432441088.db2.gz GYAPVHSOSHIEMX-CVEARBPZSA-N 1 0 315.461 3.423 10 0 DGAERO O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261907145 432459416 /nfs/dbraw/zinc/45/94/16/432459416.db2.gz FWHXMFIBFJOLEJ-RCCFBDPRSA-N 1 0 312.457 3.219 10 0 DGAERO C[NH2+][C@H](C)Cc1noc(-c2ccccc2Cc2ccccc2)n1 ZINC000261730928 432443897 /nfs/dbraw/zinc/44/38/97/432443897.db2.gz KDVXYDQMXYJCDB-CQSZACIVSA-N 1 0 307.397 3.478 10 0 DGAERO Cc1ccc2oc(C(=O)N(CC[NH3+])CCc3ccccc3)cc2c1 ZINC000261749731 432445957 /nfs/dbraw/zinc/44/59/57/432445957.db2.gz PDICLONHKAJKJL-UHFFFAOYSA-N 1 0 322.408 3.385 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000184931516 432446978 /nfs/dbraw/zinc/44/69/78/432446978.db2.gz KOFFRNQPFXCJDJ-KSZLIROESA-N 1 0 300.446 3.232 10 0 DGAERO CC(C)c1ccc(NC(=O)CN2CC[NH2+]Cc3ccccc32)cc1 ZINC000261770519 432448344 /nfs/dbraw/zinc/44/83/44/432448344.db2.gz WSWGPRYYGCWNEL-UHFFFAOYSA-N 1 0 323.440 3.358 10 0 DGAERO C[C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1F ZINC000261754762 432448917 /nfs/dbraw/zinc/44/89/17/432448917.db2.gz PRIRFERTSHZRJI-NSHDSACASA-N 1 0 316.351 3.353 10 0 DGAERO C[C@@H]([NH2+]CCO[C@H]1CCCCO1)c1cccc(-n2ccnc2)c1 ZINC000193115883 432450029 /nfs/dbraw/zinc/45/00/29/432450029.db2.gz QHSNRUFDXJDSDT-QAPCUYQASA-N 1 0 315.417 3.066 10 0 DGAERO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184969917 432450879 /nfs/dbraw/zinc/45/08/79/432450879.db2.gz QRTOTNXECWJARI-LBPRGKRZSA-N 1 0 314.364 3.407 10 0 DGAERO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C(C)C)cc1 ZINC000184963984 432451421 /nfs/dbraw/zinc/45/14/21/432451421.db2.gz PJFNSPSYWHVSLV-MSOLQXFVSA-N 1 0 302.462 3.437 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCO[C@@H]1CCCCO1 ZINC000193122362 432451697 /nfs/dbraw/zinc/45/16/97/432451697.db2.gz PBXHLZRKYQCCRQ-CZUORRHYSA-N 1 0 309.454 3.140 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OCCC(C)C)cc2)C1 ZINC000153901128 432453837 /nfs/dbraw/zinc/45/38/37/432453837.db2.gz XOPBDOFQYLFPNS-GOSISDBHSA-N 1 0 318.461 3.212 10 0 DGAERO c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261839502 432454071 /nfs/dbraw/zinc/45/40/71/432454071.db2.gz AGMVJKNWNBLLJN-BBWFWOEESA-N 1 0 316.470 3.148 10 0 DGAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000261844008 432454220 /nfs/dbraw/zinc/45/42/20/432454220.db2.gz CUIFOPFAUIAWJX-BLLLJJGKSA-N 1 0 303.381 3.182 10 0 DGAERO C[C@H]([NH3+])[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832056 432454820 /nfs/dbraw/zinc/45/48/20/432454820.db2.gz BUHSMVIEOWCLLQ-GXTWGEPZSA-N 1 0 303.381 3.040 10 0 DGAERO CCCOc1cccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261839508 432455247 /nfs/dbraw/zinc/45/52/47/432455247.db2.gz OZIZBXNOIZIIMD-LJQANCHMSA-N 1 0 311.429 3.017 10 0 DGAERO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185021169 432457419 /nfs/dbraw/zinc/45/74/19/432457419.db2.gz ZHTOYOVTQKXWNM-KBXCAEBGSA-N 1 0 322.412 3.453 10 0 DGAERO COC(=O)C1(C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000192752074 432408467 /nfs/dbraw/zinc/40/84/67/432408467.db2.gz VKKWPQHNJJMCSI-RYUDHWBXSA-N 1 0 318.442 3.331 10 0 DGAERO Cc1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1Cl ZINC000153445728 432409293 /nfs/dbraw/zinc/40/92/93/432409293.db2.gz AZDPJXMHDXLMBS-STQMWFEESA-N 1 0 307.825 3.349 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(Cl)(Cl)Cl ZINC000184601842 432411568 /nfs/dbraw/zinc/41/15/68/432411568.db2.gz VLHRZEUUIZBMAC-NSHDSACASA-N 1 0 310.656 3.416 10 0 DGAERO CC1CC[NH+](CCNC(=O)C/C=C\c2cccc(F)c2)CC1 ZINC000255658133 432412557 /nfs/dbraw/zinc/41/25/57/432412557.db2.gz GTKRTASYIVUJHX-HYXAFXHYSA-N 1 0 304.409 3.077 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCC(Cl)(Cl)Cl)CC2 ZINC000184624143 432412583 /nfs/dbraw/zinc/41/25/83/432412583.db2.gz HKAUYXKIPPEXGU-WDEREUQCSA-N 1 0 300.657 3.374 10 0 DGAERO Cc1cccc([C@@H](NCc2nc(N(C)C)no2)C(C)(C)C)c1 ZINC000192784769 432413599 /nfs/dbraw/zinc/41/35/99/432413599.db2.gz BCEZZYSDKIOZSH-OAHLLOKOSA-N 1 0 302.422 3.321 10 0 DGAERO Cc1ccc(N[C@H]2CCCSC2)cc1NC(=O)CC[NH+](C)C ZINC000184658115 432417438 /nfs/dbraw/zinc/41/74/38/432417438.db2.gz ZZBVOZUGGNPHQM-HNNXBMFYSA-N 1 0 321.490 3.193 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000153531242 432417530 /nfs/dbraw/zinc/41/75/30/432417530.db2.gz AGIBBRDATWYWBP-DZGCQCFKSA-N 1 0 324.490 3.253 10 0 DGAERO Cc1ccc(N[C@@H]2CCCSC2)cc1NC(=O)CC[NH+](C)C ZINC000184658095 432417977 /nfs/dbraw/zinc/41/79/77/432417977.db2.gz ZZBVOZUGGNPHQM-OAHLLOKOSA-N 1 0 321.490 3.193 10 0 DGAERO Cc1cc(Br)c2c(c1)CN(C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261880820 432458787 /nfs/dbraw/zinc/45/87/87/432458787.db2.gz QXSFFMRCEPQDSH-MRXNPFEDSA-N 1 0 323.278 3.115 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1 ZINC000192815313 432419443 /nfs/dbraw/zinc/41/94/43/432419443.db2.gz QTAXDVCYDFSSOO-SJORKVTESA-N 1 0 314.408 3.325 10 0 DGAERO C[C@H](c1cccc(F)c1)N1CCN([C@H](C)c2cnccn2)CC1 ZINC000184684339 432420118 /nfs/dbraw/zinc/42/01/18/432420118.db2.gz ZMRAGONVJWVIEE-HUUCEWRRSA-N 1 0 314.408 3.056 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccncc1 ZINC000175278690 432420539 /nfs/dbraw/zinc/42/05/39/432420539.db2.gz OKLHKZHKSGJGPC-MLGOLLRUSA-N 1 0 315.804 3.191 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1csc(-c2ccoc2)n1 ZINC000175338769 432426195 /nfs/dbraw/zinc/42/61/95/432426195.db2.gz BCNGPQLUJHTIES-OAHLLOKOSA-N 1 0 305.447 3.319 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000193372875 432471185 /nfs/dbraw/zinc/47/11/85/432471185.db2.gz ZTNHPYFAWRZGCZ-QZTJIDSGSA-N 1 0 309.425 3.010 10 0 DGAERO CC(C)c1nc(-c2nc(-c3ccc(C[NH3+])cc3)no2)cs1 ZINC000262057897 432471340 /nfs/dbraw/zinc/47/13/40/432471340.db2.gz QXAKMSMCBTYMEZ-UHFFFAOYSA-N 1 0 300.387 3.442 10 0 DGAERO C[NH2+]CCC1CCN(C(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000262050081 432472083 /nfs/dbraw/zinc/47/20/83/432472083.db2.gz MLXMYUXGPBWRMY-SFHVURJKSA-N 1 0 314.473 3.345 10 0 DGAERO Fc1ccccc1OCc1noc([C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000262093977 432472736 /nfs/dbraw/zinc/47/27/36/432472736.db2.gz VAXRVMRMLYACSO-UBHSHLNASA-N 1 0 317.364 3.381 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000262122050 432475155 /nfs/dbraw/zinc/47/51/55/432475155.db2.gz MGZKAXXMSRAVJG-HBNTYKKESA-N 1 0 319.396 3.030 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](CCCc2ccccc2C)C1 ZINC000175902579 432475268 /nfs/dbraw/zinc/47/52/68/432475268.db2.gz ANARJDLTTBPRJG-SFHVURJKSA-N 1 0 312.461 3.419 10 0 DGAERO CCc1c(C)[nH+]c2ccccc2c1N[C@@H]1CCc2ncnn2C1 ZINC000272282046 432475994 /nfs/dbraw/zinc/47/59/94/432475994.db2.gz YITANEQBSMPOJC-CYBMUJFWSA-N 1 0 307.401 3.124 10 0 DGAERO CCc1oc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000154143776 432477491 /nfs/dbraw/zinc/47/74/91/432477491.db2.gz USAHMOXEDSWART-OAHLLOKOSA-N 1 0 304.434 3.241 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185231119 432481739 /nfs/dbraw/zinc/48/17/39/432481739.db2.gz FQDWLJPUTWQYPV-ZLIFDBKOSA-N 1 0 307.482 3.150 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccccc1CN1CCSCC1 ZINC000185243037 432482220 /nfs/dbraw/zinc/48/22/20/432482220.db2.gz PHOZQITZPYXAFU-CVEARBPZSA-N 1 0 318.486 3.466 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)C/C=C/c1cccc(F)c1 ZINC000175968769 432482368 /nfs/dbraw/zinc/48/23/68/432482368.db2.gz AOEVNRUGEZVDCF-VFADXPBXSA-N 1 0 304.409 3.220 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccccc1CN1CCSCC1 ZINC000185243054 432482636 /nfs/dbraw/zinc/48/26/36/432482636.db2.gz PHOZQITZPYXAFU-JKSUJKDBSA-N 1 0 318.486 3.466 10 0 DGAERO COc1ccc(C[C@H](C)C[NH+]2CCC([C@@H](C)O)CC2)cc1F ZINC000185244993 432482867 /nfs/dbraw/zinc/48/28/67/432482867.db2.gz HTGLPUSBZIQQSI-UONOGXRCSA-N 1 0 309.425 3.106 10 0 DGAERO COc1ccc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c(OC)c1 ZINC000154213299 432483308 /nfs/dbraw/zinc/48/33/08/432483308.db2.gz JTZWVYXHJUYDFW-KEYYUXOJSA-N 1 0 306.450 3.083 10 0 DGAERO CCSc1ccc([C@@H](C)NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262385771 432483970 /nfs/dbraw/zinc/48/39/70/432483970.db2.gz MAOXWIRFWRCNMW-GUTXKFCHSA-N 1 0 306.475 3.364 10 0 DGAERO CCC1(CC)C[N@H+](CCCSCC(C)C)CC[S@]1=O ZINC000185259805 432485077 /nfs/dbraw/zinc/48/50/77/432485077.db2.gz TUIVOXZTELZERL-LJQANCHMSA-N 1 0 305.553 3.389 10 0 DGAERO C[C@H](c1cccc(Br)c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193606626 432485227 /nfs/dbraw/zinc/48/52/27/432485227.db2.gz JVMBIIMITYZCDV-BNOWGMLFSA-N 1 0 309.251 3.004 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C/C=C/c1cccc(F)c1 ZINC000175993786 432485694 /nfs/dbraw/zinc/48/56/94/432485694.db2.gz YJMRHWGTWXYYQT-PXTSUWAFSA-N 1 0 304.409 3.220 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC[NH2+]1 ZINC000262445950 432485723 /nfs/dbraw/zinc/48/57/23/432485723.db2.gz UDMKHAGIRXNOLS-HZUKXOBISA-N 1 0 306.837 3.295 10 0 DGAERO Cc1ccc(CCCC(=O)N2CCC([NH+]3CCCC3)CC2)s1 ZINC000176020600 432487207 /nfs/dbraw/zinc/48/72/07/432487207.db2.gz CJFQSVMQYLCTJZ-UHFFFAOYSA-N 1 0 320.502 3.466 10 0 DGAERO Cc1ccc([C@H](C)NCC(=O)NCc2ccc(Cl)cc2)o1 ZINC000193634748 432487398 /nfs/dbraw/zinc/48/73/98/432487398.db2.gz GJNZGUDIBDBPPW-LBPRGKRZSA-N 1 0 306.793 3.208 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2noc(C3CCCCC3)n2)CC[N@@H+]1C ZINC000154295235 432489642 /nfs/dbraw/zinc/48/96/42/432489642.db2.gz YLUOGLDIPXVMHW-ZFWWWQNUSA-N 1 0 306.454 3.032 10 0 DGAERO CC1CCC(OC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)CC1 ZINC000262523648 432490136 /nfs/dbraw/zinc/49/01/36/432490136.db2.gz JOAULQJAUNZQNW-UHFFFAOYSA-N 1 0 322.493 3.234 10 0 DGAERO COCCOC[C@@H]1CCN(c2c(C)c[nH+]c3c(C)cccc32)C1 ZINC000185328867 432490553 /nfs/dbraw/zinc/49/05/53/432490553.db2.gz SCNNKMCFWLDZJY-MRXNPFEDSA-N 1 0 314.429 3.341 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000262551110 432491679 /nfs/dbraw/zinc/49/16/79/432491679.db2.gz SKCRZXJKDKAFNS-PZSREKOKSA-N 1 0 322.836 3.119 10 0 DGAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(C)c(CC)c2)C1(C)C ZINC000262556665 432491900 /nfs/dbraw/zinc/49/19/00/432491900.db2.gz UHMUQEUBZWBJSN-MAUKXSAKSA-N 1 0 304.434 3.028 10 0 DGAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000193700018 432492177 /nfs/dbraw/zinc/49/21/77/432492177.db2.gz KYJLHHVWWZXBHZ-HZSPNIEDSA-N 1 0 320.399 3.298 10 0 DGAERO CN(Cc1nc2ccccc2s1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000262580269 432493381 /nfs/dbraw/zinc/49/33/81/432493381.db2.gz YUQDAFHBIWLGLY-OAHLLOKOSA-N 1 0 317.458 3.033 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000185367423 432494371 /nfs/dbraw/zinc/49/43/71/432494371.db2.gz LDMWXIAMAONDDC-OAHLLOKOSA-N 1 0 306.450 3.087 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccccc1C ZINC000176127852 432494487 /nfs/dbraw/zinc/49/44/87/432494487.db2.gz NMRSKNKLWFPVCZ-HOTGVXAUSA-N 1 0 303.450 3.182 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000185370220 432496003 /nfs/dbraw/zinc/49/60/03/432496003.db2.gz WCYBHUKMNRZRIH-CQSZACIVSA-N 1 0 319.367 3.467 10 0 DGAERO O=C(c1c(Cl)cccc1Cl)N1CCN2CCCC[C@@H]2C1 ZINC000176136358 432496565 /nfs/dbraw/zinc/49/65/65/432496565.db2.gz MSMZAPRGBALUDF-LLVKDONJSA-N 1 0 313.228 3.304 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(-c2ccncc2)cc1 ZINC000262674226 432497709 /nfs/dbraw/zinc/49/77/09/432497709.db2.gz QNSMUASLCNIMNT-VHSSKADRSA-N 1 0 309.413 3.053 10 0 DGAERO C[NH+](C)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000193806501 432499308 /nfs/dbraw/zinc/49/93/08/432499308.db2.gz YEXIQKKGGLUDDA-UHFFFAOYSA-N 1 0 317.260 3.398 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000262818214 432504386 /nfs/dbraw/zinc/50/43/86/432504386.db2.gz PHGQJPGHDMQSES-PBHICJAKSA-N 1 0 318.436 3.142 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(C)(C)CCCc1ccccc1 ZINC000262835025 432505707 /nfs/dbraw/zinc/50/57/07/432505707.db2.gz QTOCPTSMIGDOCD-WBVHZDCISA-N 1 0 302.462 3.150 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000176315692 432510553 /nfs/dbraw/zinc/51/05/53/432510553.db2.gz GATDXPWQTVPLLV-AWEZNQCLSA-N 1 0 314.385 3.286 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(F)cc1OC(F)F ZINC000154635314 432510576 /nfs/dbraw/zinc/51/05/76/432510576.db2.gz YRDAVNBTDGVMAN-PWSUYJOCSA-N 1 0 302.340 3.172 10 0 DGAERO O=C(CC12CC3CC(CC(C3)C1)C2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261913755 432460347 /nfs/dbraw/zinc/46/03/47/432460347.db2.gz XWADPJKEEMNCGS-ZTXKGSLASA-N 1 0 316.489 3.051 10 0 DGAERO FC(F)c1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261927668 432461911 /nfs/dbraw/zinc/46/19/11/432461911.db2.gz LEAKZCGTHPCHGX-INIZCTEOSA-N 1 0 303.356 3.166 10 0 DGAERO Cn1cc(-c2cc(C[NH2+][C@H](Cc3ccccc3)C3CC3)on2)cn1 ZINC000185057410 432461977 /nfs/dbraw/zinc/46/19/77/432461977.db2.gz SMIFCJKCWYZASK-GOSISDBHSA-N 1 0 322.412 3.186 10 0 DGAERO CC1(C)CCC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000185072082 432463667 /nfs/dbraw/zinc/46/36/67/432463667.db2.gz OHIMOPZRSVKMRO-HNNXBMFYSA-N 1 0 321.440 3.116 10 0 DGAERO c1ccc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)ccc2c1 ZINC000261995603 432467651 /nfs/dbraw/zinc/46/76/51/432467651.db2.gz UAOSPGKHRKNMHH-VAMGGRTRSA-N 1 0 310.441 3.087 10 0 DGAERO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000262005656 432468349 /nfs/dbraw/zinc/46/83/49/432468349.db2.gz UZZGLSLMTPFSND-GUDVDZBRSA-N 1 0 316.489 3.019 10 0 DGAERO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000262024258 432469487 /nfs/dbraw/zinc/46/94/87/432469487.db2.gz AUJVAUQKPDSJPD-MEDUHNTESA-N 1 0 316.430 3.051 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000175840156 432470243 /nfs/dbraw/zinc/47/02/43/432470243.db2.gz OOHGMDFSACFNHY-DOMZBBRYSA-N 1 0 300.406 3.114 10 0 DGAERO CCCOc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000262025399 432470322 /nfs/dbraw/zinc/47/03/22/432470322.db2.gz YDOXCXVBZXXRPG-XKQJLSEDSA-N 1 0 302.418 3.335 10 0 DGAERO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2c1 ZINC000176751008 432549397 /nfs/dbraw/zinc/54/93/97/432549397.db2.gz ZWBNMRUHXLNBLD-HNNXBMFYSA-N 1 0 323.440 3.197 10 0 DGAERO O=C(Nc1nc(C2CC2)cs1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000194440562 432551379 /nfs/dbraw/zinc/55/13/79/432551379.db2.gz PCBUURRQPCEPMA-ZDUSSCGKSA-N 1 0 320.462 3.113 10 0 DGAERO CCC[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000194508437 432557170 /nfs/dbraw/zinc/55/71/70/432557170.db2.gz FKXOZFIYWIURFJ-SFHVURJKSA-N 1 0 300.446 3.267 10 0 DGAERO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCCN1CCCC1=O ZINC000186085257 432557362 /nfs/dbraw/zinc/55/73/62/432557362.db2.gz VZPMEILJNCQDSK-QGZVFWFLSA-N 1 0 300.446 3.283 10 0 DGAERO C=Cn1cc(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C)cn1 ZINC000194545999 432559645 /nfs/dbraw/zinc/55/96/45/432559645.db2.gz GGBCZDASKOLBHN-QGZVFWFLSA-N 1 0 322.453 3.013 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000155665585 432565297 /nfs/dbraw/zinc/56/52/97/432565297.db2.gz QMPXXKKIYGWRML-BBRMVZONSA-N 1 0 308.853 3.118 10 0 DGAERO CC[C@H](CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000155563919 432560975 /nfs/dbraw/zinc/56/09/75/432560975.db2.gz KLRVPBBTGHHBNE-LZLYRXPVSA-N 1 0 302.462 3.415 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000176870039 432561657 /nfs/dbraw/zinc/56/16/57/432561657.db2.gz YJWBVEFLQGDPCL-RGCHEUQESA-N 1 0 304.409 3.170 10 0 DGAERO C[C@H](CC1CCCCC1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000194626784 432563720 /nfs/dbraw/zinc/56/37/20/432563720.db2.gz XIBNYSMXZDNHLS-VYDXJSESSA-N 1 0 309.498 3.469 10 0 DGAERO CCC[C@@H](C(=O)NCC1(Sc2ccccc2)CC1)[NH+](C)C ZINC000154654754 432513368 /nfs/dbraw/zinc/51/33/68/432513368.db2.gz VFDOXHUWGGFTDZ-HNNXBMFYSA-N 1 0 306.475 3.158 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176346717 432513470 /nfs/dbraw/zinc/51/34/70/432513470.db2.gz RCDHNQPYSQFVEG-INIZCTEOSA-N 1 0 314.433 3.424 10 0 DGAERO C[C@H]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC2)c2ccccc21 ZINC000185595141 432514043 /nfs/dbraw/zinc/51/40/43/432514043.db2.gz YONTYQUPATWFPA-KSSFIOAISA-N 1 0 315.461 3.361 10 0 DGAERO Cc1ccc([C@H](C)N[C@H](C)C(=O)NCCc2ccc(F)cc2)o1 ZINC000194022140 432517649 /nfs/dbraw/zinc/51/76/49/432517649.db2.gz CVONHRCKILULKE-UONOGXRCSA-N 1 0 318.392 3.125 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)cc1F ZINC000154745727 432517735 /nfs/dbraw/zinc/51/77/35/432517735.db2.gz BHXDOPNABUDZSL-GFCCVEGCSA-N 1 0 303.381 3.146 10 0 DGAERO COc1ccc(CN(Cc2nnc(C)n2C2CC2)C2CC2)cc1 ZINC000154743466 432517975 /nfs/dbraw/zinc/51/79/75/432517975.db2.gz XWCOOVMICPVLKA-UHFFFAOYSA-N 1 0 312.417 3.095 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](C[C@@H]3CCC=CO3)C2)c1 ZINC000194045227 432518594 /nfs/dbraw/zinc/51/85/94/432518594.db2.gz CMYGJTPSWYRUGE-ZBFHGGJFSA-N 1 0 303.402 3.186 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000176422845 432520986 /nfs/dbraw/zinc/52/09/86/432520986.db2.gz CFUAXBXQWLCTCN-JLSDUUJJSA-N 1 0 315.461 3.166 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C12CCOCC2 ZINC000185654368 432521009 /nfs/dbraw/zinc/52/10/09/432521009.db2.gz JUGRQIAEKKGWDA-ZWKOTPCHSA-N 1 0 303.446 3.367 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](O)COC2CCOCC2)cc1 ZINC000176420261 432521411 /nfs/dbraw/zinc/52/14/11/432521411.db2.gz NNFGLYIUCPXRBY-YJBOKZPZSA-N 1 0 321.461 3.017 10 0 DGAERO COC[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000194112231 432526154 /nfs/dbraw/zinc/52/61/54/432526154.db2.gz AYGUGMMIHIMCRB-COXVUDFISA-N 1 0 310.869 3.346 10 0 DGAERO CC(C)C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000194173457 432530540 /nfs/dbraw/zinc/53/05/40/432530540.db2.gz DHTPOLDCHBXUDB-ZDUSSCGKSA-N 1 0 308.388 3.154 10 0 DGAERO CC(C)[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000176520048 432530849 /nfs/dbraw/zinc/53/08/49/432530849.db2.gz ZMLCZWLFHKELQU-SJORKVTESA-N 1 0 320.864 3.386 10 0 DGAERO CC(C)[C@H](C)CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194193506 432531734 /nfs/dbraw/zinc/53/17/34/432531734.db2.gz MMXGFEQVQKJGHB-SJLPKXTDSA-N 1 0 317.477 3.100 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cccnc1C ZINC000154960518 432532745 /nfs/dbraw/zinc/53/27/45/432532745.db2.gz XAIUTHAOMQSQES-OAHLLOKOSA-N 1 0 312.413 3.201 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000185795266 432533958 /nfs/dbraw/zinc/53/39/58/432533958.db2.gz FBZIOXRHFMPCPT-MSOLQXFVSA-N 1 0 306.494 3.393 10 0 DGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000176909194 432564738 /nfs/dbraw/zinc/56/47/38/432564738.db2.gz ARELIVVDJPHFQX-HZPDHXFCSA-N 1 0 301.434 3.298 10 0 DGAERO Cc1ccc(CN(C)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000194289311 432537704 /nfs/dbraw/zinc/53/77/04/432537704.db2.gz KFXMZQCZAXFNLC-ZNMIVQPWSA-N 1 0 321.465 3.096 10 0 DGAERO Cc1cc(CCCC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c(C)s1 ZINC000155099423 432538549 /nfs/dbraw/zinc/53/85/49/432538549.db2.gz RDGNSCLZHQHEOT-CHWSQXEVSA-N 1 0 308.491 3.239 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000194306534 432539890 /nfs/dbraw/zinc/53/98/90/432539890.db2.gz NSDKIWWHQDFNIZ-AWEZNQCLSA-N 1 0 314.433 3.364 10 0 DGAERO c1coc(-c2ncc(CN3CC[N@@H+]4CCCC[C@@H]4C3)s2)c1 ZINC000194360383 432544247 /nfs/dbraw/zinc/54/42/47/432544247.db2.gz GYAAUINBJIMHNL-CYBMUJFWSA-N 1 0 303.431 3.073 10 0 DGAERO Cc1ccc2c(CC[NH2+]Cc3cnn4ccccc34)cn(C)c2c1 ZINC000186545540 432604955 /nfs/dbraw/zinc/60/49/55/432604955.db2.gz TYUWDEAWAYBSDT-UHFFFAOYSA-N 1 0 318.424 3.467 10 0 DGAERO Cc1ccc2c(CC[NH2+]Cc3cccc4nccn43)cn(C)c2c1 ZINC000186544612 432606373 /nfs/dbraw/zinc/60/63/73/432606373.db2.gz UCMOIPBTFIVSJY-UHFFFAOYSA-N 1 0 318.424 3.467 10 0 DGAERO Cc1cc2occ(C(=O)N3[C@H](C)C[N@@H+](C)C[C@@H]3C)c2cc1C ZINC000186649153 432617840 /nfs/dbraw/zinc/61/78/40/432617840.db2.gz SVFIBSJOXYOQSB-OKILXGFUSA-N 1 0 300.402 3.214 10 0 DGAERO CCC[C@@H]1CCCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000186571428 432608918 /nfs/dbraw/zinc/60/89/18/432608918.db2.gz QVJYYRWIEIYCRG-OFLPRAFFSA-N 1 0 309.498 3.471 10 0 DGAERO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000177312634 432611146 /nfs/dbraw/zinc/61/11/46/432611146.db2.gz QHURESQFFXQNNN-HIFRSBDPSA-N 1 0 314.433 3.076 10 0 DGAERO CCCCOC[C@@H](O)C[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000195214073 432612238 /nfs/dbraw/zinc/61/22/38/432612238.db2.gz UEMSDEWVEPSFJN-XJKSGUPXSA-N 1 0 301.377 3.183 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)Nc2nc(C)c(C)s2)CC1 ZINC000195224690 432613159 /nfs/dbraw/zinc/61/31/59/432613159.db2.gz MCVIPPKUVNQZBJ-UHFFFAOYSA-N 1 0 310.467 3.146 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1cccc2ccccc21)CN1CCOCC1 ZINC000177357663 432615682 /nfs/dbraw/zinc/61/56/82/432615682.db2.gz LPQITOQCYGDMPV-IAGOWNOFSA-N 1 0 312.457 3.459 10 0 DGAERO O=C(Cc1ccc(-c2ccccc2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195314654 432616590 /nfs/dbraw/zinc/61/65/90/432616590.db2.gz UYWSZUKUEHREDE-FQEVSTJZSA-N 1 0 320.436 3.203 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000194659978 432565475 /nfs/dbraw/zinc/56/54/75/432565475.db2.gz LGVHZHMQBXSSIU-CQSZACIVSA-N 1 0 315.442 3.024 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000186178012 432566871 /nfs/dbraw/zinc/56/68/71/432566871.db2.gz XIMLGHPODLJDDH-CMPLNLGQSA-N 1 0 307.463 3.389 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)C[C@@H](C)c2cccc(F)c2)[C@@H](C)C1 ZINC000155700248 432567323 /nfs/dbraw/zinc/56/73/23/432567323.db2.gz LCTLBKNDERUKCD-KEYYUXOJSA-N 1 0 306.425 3.164 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C12CCOCC2 ZINC000186199161 432568129 /nfs/dbraw/zinc/56/81/29/432568129.db2.gz UQFWQZRHMBLWGW-DLBZAZTESA-N 1 0 323.864 3.446 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000186211772 432569101 /nfs/dbraw/zinc/56/91/01/432569101.db2.gz DAOXNNXVGAMZJJ-NSHDSACASA-N 1 0 324.471 3.289 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000176979096 432572132 /nfs/dbraw/zinc/57/21/32/432572132.db2.gz GWQYPUJRJPQYHO-OAHLLOKOSA-N 1 0 313.445 3.341 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2ccccc2nc1C ZINC000176989099 432573153 /nfs/dbraw/zinc/57/31/53/432573153.db2.gz POCPZKSZFZCEFY-MRXNPFEDSA-N 1 0 311.429 3.100 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(OCC2CC2)cc1 ZINC000176995103 432573531 /nfs/dbraw/zinc/57/35/31/432573531.db2.gz PSUUHGLZMFGXNM-QGZVFWFLSA-N 1 0 316.445 3.032 10 0 DGAERO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)cc1 ZINC000186276716 432575795 /nfs/dbraw/zinc/57/57/95/432575795.db2.gz PTMZTSPKMHLSGF-QZTJIDSGSA-N 1 0 319.445 3.149 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2sc(C)nc2C)C12CCOCC2 ZINC000186264366 432576591 /nfs/dbraw/zinc/57/65/91/432576591.db2.gz RMKGXVCOOOQKMZ-AEGPPILISA-N 1 0 324.490 3.385 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000194809336 432577642 /nfs/dbraw/zinc/57/76/42/432577642.db2.gz VHRNCKSTWJLKDB-KBPBESRZSA-N 1 0 322.449 3.001 10 0 DGAERO FCCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186289106 432578246 /nfs/dbraw/zinc/57/82/46/432578246.db2.gz XPGQVBFMJGFAQN-AWEZNQCLSA-N 1 0 324.197 3.278 10 0 DGAERO Cc1cc(C)cc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000155874177 432578769 /nfs/dbraw/zinc/57/87/69/432578769.db2.gz PZGCGAPDAVUQAD-INIZCTEOSA-N 1 0 310.445 3.413 10 0 DGAERO COc1cccc2c1CCC[C@H]2[NH2+]CCNC(=O)c1ccccc1 ZINC000194872286 432583265 /nfs/dbraw/zinc/58/32/65/432583265.db2.gz PLQBBOOZAIJRMK-GOSISDBHSA-N 1 0 324.424 3.092 10 0 DGAERO CCc1cccc(C)c1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177084945 432583549 /nfs/dbraw/zinc/58/35/49/432583549.db2.gz HSDFGQSLSWXDFW-HOCLYGCPSA-N 1 0 301.434 3.258 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000177086485 432584736 /nfs/dbraw/zinc/58/47/36/432584736.db2.gz GSPVAWVXBSGEKQ-JSGCOSHPSA-N 1 0 307.825 3.349 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2C)C12CCOCC2 ZINC000186379698 432590080 /nfs/dbraw/zinc/59/00/80/432590080.db2.gz KDVWBWRDPHHEPU-QZTJIDSGSA-N 1 0 321.436 3.240 10 0 DGAERO CC(C)c1nnc(CN2CC=C(c3ccc(F)cc3)CC2)n1C ZINC000195041380 432595690 /nfs/dbraw/zinc/59/56/90/432595690.db2.gz HVIOUQWPFFHJPZ-UHFFFAOYSA-N 1 0 314.408 3.367 10 0 DGAERO COC(=O)c1ccccc1CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000186458104 432596564 /nfs/dbraw/zinc/59/65/64/432596564.db2.gz BSOALXHCMMVZRR-CYBMUJFWSA-N 1 0 315.335 3.290 10 0 DGAERO O=C(c1ccc(Cl)c(Cl)c1)N1CCN2CCCC[C@@H]2C1 ZINC000195075565 432599888 /nfs/dbraw/zinc/59/98/88/432599888.db2.gz FJOWZBQTLNYXMN-GFCCVEGCSA-N 1 0 313.228 3.304 10 0 DGAERO CN(CC1CC1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157392524 432619202 /nfs/dbraw/zinc/61/92/02/432619202.db2.gz UVTCZLQLCLKJQQ-IBGZPJMESA-N 1 0 315.461 3.093 10 0 DGAERO O=C(c1ccccc1Oc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195315054 432619442 /nfs/dbraw/zinc/61/94/42/432619442.db2.gz AWIPOHCPGALWJS-MRXNPFEDSA-N 1 0 322.408 3.399 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(OC)c(OC(C)C)c1)[NH+](C)C ZINC000186672287 432621386 /nfs/dbraw/zinc/62/13/86/432621386.db2.gz YABGMWZNENOIBW-AWEZNQCLSA-N 1 0 308.422 3.151 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](CCCOC(C)C)C2)c1 ZINC000177421684 432624123 /nfs/dbraw/zinc/62/41/23/432624123.db2.gz ZFVYEGYRBYLBCE-OAHLLOKOSA-N 1 0 307.434 3.308 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000177451041 432624689 /nfs/dbraw/zinc/62/46/89/432624689.db2.gz LFUACXCKMIEFIC-APWZRJJASA-N 1 0 308.425 3.008 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000186717890 432625379 /nfs/dbraw/zinc/62/53/79/432625379.db2.gz WRPZTGITIOOPDI-KSSFIOAISA-N 1 0 310.397 3.207 10 0 DGAERO CC(C)(C)OC(=O)NCCN1CCCC[C@@H]1c1nccs1 ZINC000177488817 432628967 /nfs/dbraw/zinc/62/89/67/432628967.db2.gz VTUJKRWPUXEKKY-GFCCVEGCSA-N 1 0 311.451 3.195 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CCC2 ZINC000177510095 432631685 /nfs/dbraw/zinc/63/16/85/432631685.db2.gz ITSSJDHURSNBLX-ZWKOTPCHSA-N 1 0 313.445 3.266 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000177547803 432636706 /nfs/dbraw/zinc/63/67/06/432636706.db2.gz YRLJSQFLNAAKOH-LSDHHAIUSA-N 1 0 323.506 3.052 10 0 DGAERO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCCc2ccccc21 ZINC000159177040 281986339 /nfs/dbraw/zinc/98/63/39/281986339.db2.gz LDBYXJKUNKULKA-PMACEKPBSA-N 1 0 322.452 3.353 10 0 DGAERO Cc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000212102691 432641061 /nfs/dbraw/zinc/64/10/61/432641061.db2.gz CESCDVJNEHGMOZ-CZUORRHYSA-N 1 0 306.837 3.253 10 0 DGAERO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(Cl)c(F)c1 ZINC000212247090 432641384 /nfs/dbraw/zinc/64/13/84/432641384.db2.gz PCVMVASQHJCCSU-GFCCVEGCSA-N 1 0 314.832 3.241 10 0 DGAERO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)cs1 ZINC000177608225 432642214 /nfs/dbraw/zinc/64/22/14/432642214.db2.gz FDMOOIBJFAZQOK-CYBMUJFWSA-N 1 0 323.506 3.080 10 0 DGAERO c1ccc(CCCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000187096215 432644457 /nfs/dbraw/zinc/64/44/57/432644457.db2.gz RXTJYMBCOAUWJM-FQEVSTJZSA-N 1 0 316.489 3.196 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000158464287 432645763 /nfs/dbraw/zinc/64/57/63/432645763.db2.gz FMYBEHANNAHNAE-QGZVFWFLSA-N 1 0 319.445 3.379 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000177379335 432618192 /nfs/dbraw/zinc/61/81/92/432618192.db2.gz ACCQXEUWEHFXGS-DOTOQJQBSA-N 1 0 303.450 3.182 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)COCc1ccccc1OC ZINC000157329287 432618667 /nfs/dbraw/zinc/61/86/67/432618667.db2.gz VMEUFTPHZNSPRC-ROUUACIJSA-N 1 0 321.461 3.227 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(Cc3nc(C(C)(C)C)cs3)CC[C@@H]21 ZINC000158534664 432649848 /nfs/dbraw/zinc/64/98/48/432649848.db2.gz QDFQZRGXPFNSOK-KGLIPLIRSA-N 1 0 307.507 3.357 10 0 DGAERO CCC[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccccn1 ZINC000158597865 432652044 /nfs/dbraw/zinc/65/20/44/432652044.db2.gz KGWVLYPFMQBLBG-QGZVFWFLSA-N 1 0 303.450 3.159 10 0 DGAERO CCc1oc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1C ZINC000177705584 432652116 /nfs/dbraw/zinc/65/21/16/432652116.db2.gz OTTDFCXOHVROPH-UHFFFAOYSA-N 1 0 304.434 3.241 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+]([C@@H]3CCCN(C(C)C)C3=O)C2)n1 ZINC000177697352 432652331 /nfs/dbraw/zinc/65/23/31/432652331.db2.gz RCXHJVQQESHRET-HUUCEWRRSA-N 1 0 321.490 3.030 10 0 DGAERO Cc1csc(C2CC[NH+]([C@H]3CCCN(C(C)C)C3=O)CC2)n1 ZINC000177697335 432652382 /nfs/dbraw/zinc/65/23/82/432652382.db2.gz SLECCNZGPQVQSF-HNNXBMFYSA-N 1 0 321.490 3.030 10 0 DGAERO C[C@H]([NH2+]CCc1ccsc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000177727216 432656236 /nfs/dbraw/zinc/65/62/36/432656236.db2.gz JXSKAGYYWTXGTM-LBPRGKRZSA-N 1 0 324.471 3.013 10 0 DGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1c(C)nn(C)c1C ZINC000177747520 432657224 /nfs/dbraw/zinc/65/72/24/432657224.db2.gz ZZAUBTKJUPUKPI-IBGZPJMESA-N 1 0 313.445 3.255 10 0 DGAERO FC(F)n1c2ccccc2nc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177757911 432657478 /nfs/dbraw/zinc/65/74/78/432657478.db2.gz RISUAXUFVWJRDI-CYBMUJFWSA-N 1 0 320.387 3.102 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1Br ZINC000218114913 432658274 /nfs/dbraw/zinc/65/82/74/432658274.db2.gz BTLXPPNNPWVDAD-HIFRSBDPSA-N 1 0 312.251 3.398 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000158978982 432663985 /nfs/dbraw/zinc/66/39/85/432663985.db2.gz NFKRHNBPVHNPAY-RCDICMHDSA-N 1 0 317.454 3.326 10 0 DGAERO CCc1nc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)sc1C ZINC000177869054 432669877 /nfs/dbraw/zinc/66/98/77/432669877.db2.gz OYYGGLIIZJKBIL-FZMZJTMJSA-N 1 0 324.494 3.208 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C(C)C)cs2)[C@H](C)C1 ZINC000177858040 432667790 /nfs/dbraw/zinc/66/77/90/432667790.db2.gz ZFEZWGPEMVQFGE-OCCSQVGLSA-N 1 0 324.494 3.461 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccoc1 ZINC000178086176 432693209 /nfs/dbraw/zinc/69/32/09/432693209.db2.gz BNFRTWXSGSCQRT-ZNMIVQPWSA-N 1 0 315.417 3.139 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187911243 432693631 /nfs/dbraw/zinc/69/36/31/432693631.db2.gz ZOYLABRGIOSAON-SJCJKPOMSA-N 1 0 324.852 3.070 10 0 DGAERO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187915699 432694101 /nfs/dbraw/zinc/69/41/01/432694101.db2.gz DRBUIFVSBMHUFM-IFXJQAMLSA-N 1 0 319.445 3.271 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2csc(Br)c2)C1 ZINC000187939712 432694847 /nfs/dbraw/zinc/69/48/47/432694847.db2.gz PZHWXUAMZZDPQL-GXFFZTMASA-N 1 0 318.280 3.494 10 0 DGAERO C[C@H](O)C1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000225790331 432696984 /nfs/dbraw/zinc/69/69/84/432696984.db2.gz PAOVPFYQYWNRFR-JTQLQIEISA-N 1 0 316.214 3.181 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000188005454 432699189 /nfs/dbraw/zinc/69/91/89/432699189.db2.gz LCHOAFPJDVFOOW-FZKQIMNGSA-N 1 0 318.392 3.464 10 0 DGAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000178194472 432706085 /nfs/dbraw/zinc/70/60/85/432706085.db2.gz CVLIVIVFTZUVRY-CRAIPNDOSA-N 1 0 322.456 3.458 10 0 DGAERO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCSC1 ZINC000226402818 432707211 /nfs/dbraw/zinc/70/72/11/432707211.db2.gz FNQKUXGWYUFJJP-CZUORRHYSA-N 1 0 316.511 3.269 10 0 DGAERO Cc1nc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)oc1C ZINC000274816087 432711958 /nfs/dbraw/zinc/71/19/58/432711958.db2.gz IYFRXAUWLZGUCS-KDOFPFPSSA-N 1 0 313.445 3.292 10 0 DGAERO C[C@H]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000188224203 432712754 /nfs/dbraw/zinc/71/27/54/432712754.db2.gz ZCHHWAXSFIYQDD-ORBLRFAASA-N 1 0 309.498 3.375 10 0 DGAERO CSC[C@@H](O)C[NH2+][C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000188222779 432712962 /nfs/dbraw/zinc/71/29/62/432712962.db2.gz FKNBJEZLZNIEAN-ZBFHGGJFSA-N 1 0 311.491 3.486 10 0 DGAERO CCCCOCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658530 432714109 /nfs/dbraw/zinc/71/41/09/432714109.db2.gz AKYZELLJKBISME-HNNXBMFYSA-N 1 0 314.470 3.040 10 0 DGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(-n2cccn2)cc1 ZINC000178358539 432726507 /nfs/dbraw/zinc/72/65/07/432726507.db2.gz YVGGGLGQDCKNRI-GKCIPKSASA-N 1 0 319.408 3.181 10 0 DGAERO C[C@H](CCSc1ccccc1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000178283263 432714904 /nfs/dbraw/zinc/71/49/04/432714904.db2.gz AQYGXHIXCCHGKV-OAHLLOKOSA-N 1 0 320.502 3.358 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227839239 432716081 /nfs/dbraw/zinc/71/60/81/432716081.db2.gz BZFADRPWWJXHEH-OIBJUYFYSA-N 1 0 324.671 3.415 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000178288121 432717445 /nfs/dbraw/zinc/71/74/45/432717445.db2.gz ASZXDNYKUAEVCR-GOSISDBHSA-N 1 0 306.413 3.404 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000178316756 432719716 /nfs/dbraw/zinc/71/97/16/432719716.db2.gz GWVCFBABZXQVJJ-IBGZPJMESA-N 1 0 321.428 3.042 10 0 DGAERO CCc1ccccc1CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000188338763 432719870 /nfs/dbraw/zinc/71/98/70/432719870.db2.gz VNNXELZYHWGIOR-IBGZPJMESA-N 1 0 314.473 3.268 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC)C[C@@H]1C ZINC000187597463 432673057 /nfs/dbraw/zinc/67/30/57/432673057.db2.gz NRUSJKAIAKNSPR-APHBMKBZSA-N 1 0 323.408 3.292 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000159201483 432673857 /nfs/dbraw/zinc/67/38/57/432673857.db2.gz LIYLDCXWIAZWNE-LPHOPBHVSA-N 1 0 310.441 3.345 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000177953168 432677722 /nfs/dbraw/zinc/67/77/22/432677722.db2.gz OKTDAMPDBDOIKM-LRDDRELGSA-N 1 0 315.465 3.408 10 0 DGAERO COC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000187715797 432679685 /nfs/dbraw/zinc/67/96/85/432679685.db2.gz NNHJITQZQHUHCN-HNNXBMFYSA-N 1 0 317.351 3.237 10 0 DGAERO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187721517 432680586 /nfs/dbraw/zinc/68/05/86/432680586.db2.gz ROGFDVIWXYHMQN-ZDUSSCGKSA-N 1 0 300.402 3.225 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000224471779 432683465 /nfs/dbraw/zinc/68/34/65/432683465.db2.gz VDDZDJNVUWIVLM-UHFFFAOYSA-N 1 0 310.397 3.303 10 0 DGAERO CCN(Cc1nnc(C)n1C1CC1)[C@@H](C)Cc1ccsc1 ZINC000187784452 432684588 /nfs/dbraw/zinc/68/45/88/432684588.db2.gz ZGBDMCURGZFEKX-LBPRGKRZSA-N 1 0 304.463 3.436 10 0 DGAERO COC[C@@H](C)C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000187789463 432685010 /nfs/dbraw/zinc/68/50/10/432685010.db2.gz LVJMLHHNNKPLAK-AWEZNQCLSA-N 1 0 305.418 3.099 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)C(C)(C)c1ccccc1 ZINC000178048673 432687830 /nfs/dbraw/zinc/68/78/30/432687830.db2.gz ORUJEQCLSUBKQO-HNNXBMFYSA-N 1 0 321.428 3.118 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1OC ZINC000187844144 432688139 /nfs/dbraw/zinc/68/81/39/432688139.db2.gz GURWQJUJYXBOSA-ZFWWWQNUSA-N 1 0 307.434 3.182 10 0 DGAERO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)cc1 ZINC000178055977 432689615 /nfs/dbraw/zinc/68/96/15/432689615.db2.gz OIQBFGNONBJXCY-INIZCTEOSA-N 1 0 311.364 3.042 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc2c(c1)CCC2 ZINC000178050759 432689653 /nfs/dbraw/zinc/68/96/53/432689653.db2.gz MHCUGUDUUPHOQQ-CQSZACIVSA-N 1 0 319.412 3.002 10 0 DGAERO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)s1 ZINC000187854293 432689746 /nfs/dbraw/zinc/68/97/46/432689746.db2.gz YWSJWGVRULCMFS-DGCLKSJQSA-N 1 0 312.479 3.249 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)CCCO2 ZINC000187854168 432689967 /nfs/dbraw/zinc/68/99/67/432689967.db2.gz ZOWSEHQHNZWLBI-ZBFHGGJFSA-N 1 0 305.418 3.456 10 0 DGAERO COC[C@H](C)C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000187908602 432691410 /nfs/dbraw/zinc/69/14/10/432691410.db2.gz AUJBSUODNRYKDJ-CYBMUJFWSA-N 1 0 305.447 3.010 10 0 DGAERO COC[C@@H](C)C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000187908572 432691966 /nfs/dbraw/zinc/69/19/66/432691966.db2.gz AUJBSUODNRYKDJ-ZDUSSCGKSA-N 1 0 305.447 3.010 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)cc1 ZINC000178516962 432746705 /nfs/dbraw/zinc/74/67/05/432746705.db2.gz OAQXPPYSIVOCBI-ZDUSSCGKSA-N 1 0 303.406 3.485 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000188798284 432747153 /nfs/dbraw/zinc/74/71/53/432747153.db2.gz PANKLGLJHWGFPZ-CHWSQXEVSA-N 1 0 313.401 3.460 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c(OC)c1 ZINC000178566249 432753242 /nfs/dbraw/zinc/75/32/42/432753242.db2.gz BCNWQFVHAUGYHY-GFCCVEGCSA-N 1 0 319.376 3.186 10 0 DGAERO CC(C)N(C)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236696503 432758166 /nfs/dbraw/zinc/75/81/66/432758166.db2.gz OAQGOQFTTDCGPA-WBAXXEDZSA-N 1 0 315.461 3.390 10 0 DGAERO CCc1ccc([C@@H]2CCCCN2C(=O)NC2CC[NH+](C)CC2)o1 ZINC000173389072 288551024 /nfs/dbraw/zinc/55/10/24/288551024.db2.gz OTISLDZCOZGYQF-INIZCTEOSA-N 1 0 319.449 3.173 10 0 DGAERO COc1ccccc1CC[N@H+](C)CCOCC(F)(F)C(F)F ZINC000189117116 432764737 /nfs/dbraw/zinc/76/47/37/432764737.db2.gz NPZYCOHCDQOUGB-UHFFFAOYSA-N 1 0 323.330 3.087 10 0 DGAERO Fc1ccc2oc(C[NH+]3CCC([C@H]4CCCO4)CC3)nc2c1 ZINC000189144846 432766510 /nfs/dbraw/zinc/76/65/10/432766510.db2.gz JUUFOZIAHDDCMC-OAHLLOKOSA-N 1 0 304.365 3.358 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000188543280 432730839 /nfs/dbraw/zinc/73/08/39/432730839.db2.gz HMKYXWAGJYQRHV-DOMZBBRYSA-N 1 0 318.383 3.180 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1Br ZINC000231361576 432731996 /nfs/dbraw/zinc/73/19/96/432731996.db2.gz YBEBVBAWJANQDG-LBPRGKRZSA-N 1 0 317.658 3.286 10 0 DGAERO CCc1ccccc1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000188550609 432732919 /nfs/dbraw/zinc/73/29/19/432732919.db2.gz ZWYHWRUNTAHSTR-PZJWPPBQSA-N 1 0 322.452 3.353 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cncc(F)c1 ZINC000188628393 432735194 /nfs/dbraw/zinc/73/51/94/432735194.db2.gz QEBSFHMODSDPEX-VHRBIJSZSA-N 1 0 320.330 3.355 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]CCCO[C@H]1CCOC1)C(C)C ZINC000178441254 432736613 /nfs/dbraw/zinc/73/66/13/432736613.db2.gz YTBATQYVXHQXSW-ROUUACIJSA-N 1 0 321.461 3.048 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)Cn1c(C)nc2ccccc21 ZINC000178437153 432737020 /nfs/dbraw/zinc/73/70/20/432737020.db2.gz SARIVPHUIAUTCR-UHFFFAOYSA-N 1 0 322.412 3.093 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)cc1F ZINC000178444983 432737908 /nfs/dbraw/zinc/73/79/08/432737908.db2.gz AZQXZSBQCKKCCK-WBMJQRKESA-N 1 0 319.376 3.227 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccccc1OC)CC2 ZINC000178445017 432738190 /nfs/dbraw/zinc/73/81/90/432738190.db2.gz RLHGBXKJQJWJKH-MSOLQXFVSA-N 1 0 313.397 3.014 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000188796200 432745985 /nfs/dbraw/zinc/74/59/85/432745985.db2.gz BUQUOXUCSLPNNM-RYUDHWBXSA-N 1 0 300.358 3.231 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)O1 ZINC000189737158 432816129 /nfs/dbraw/zinc/81/61/29/432816129.db2.gz GSKGZRHZSUFART-LLVKDONJSA-N 1 0 303.324 3.474 10 0 DGAERO Cc1cccc(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000243529421 432819844 /nfs/dbraw/zinc/81/98/44/432819844.db2.gz OCMKICMSJXEYFW-UHFFFAOYSA-N 1 0 308.425 3.060 10 0 DGAERO Cc1occc1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162362532 432821329 /nfs/dbraw/zinc/82/13/29/432821329.db2.gz WXCLMHIDSAHIMK-IBGZPJMESA-N 1 0 312.413 3.373 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1C ZINC000245424767 432829125 /nfs/dbraw/zinc/82/91/25/432829125.db2.gz CYHGKUQLVHPZOO-CVEARBPZSA-N 1 0 301.434 3.394 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(SC)cc1 ZINC000245430672 432829691 /nfs/dbraw/zinc/82/96/91/432829691.db2.gz LZMGVWHHBVFRGW-GJZGRUSLSA-N 1 0 319.474 3.499 10 0 DGAERO CN(C)C(=O)C1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000162625521 432830128 /nfs/dbraw/zinc/83/01/28/432830128.db2.gz LMOBENOHALWDNB-UHFFFAOYSA-N 1 0 315.244 3.294 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1F ZINC000245436874 432830232 /nfs/dbraw/zinc/83/02/32/432830232.db2.gz VRMNZVXDUFMKQY-KBPBESRZSA-N 1 0 305.397 3.225 10 0 DGAERO CCOc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245438256 432830919 /nfs/dbraw/zinc/83/09/19/432830919.db2.gz XQRJGBYFIBWXJR-CABCVRRESA-N 1 0 317.433 3.176 10 0 DGAERO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000162727777 432831810 /nfs/dbraw/zinc/83/18/10/432831810.db2.gz ASWHJLYYCAYXIU-QMMMGPOBSA-N 1 0 306.631 3.352 10 0 DGAERO COc1ccc([C@H]2CCCN2CCC[NH+]2CCCC2)cc1OC ZINC000162729911 432831883 /nfs/dbraw/zinc/83/18/83/432831883.db2.gz WUYPLNKNKKBVSF-QGZVFWFLSA-N 1 0 318.461 3.327 10 0 DGAERO Cc1nn(-c2ccccc2)c(C)c1[C@H](C)[NH2+][C@H](CO)C(C)C ZINC000162739089 432833300 /nfs/dbraw/zinc/83/33/00/432833300.db2.gz FMFNZVUKZCIWLU-SUMWQHHRSA-N 1 0 301.434 3.157 10 0 DGAERO C[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000245462428 432834561 /nfs/dbraw/zinc/83/45/61/432834561.db2.gz NTZPGALYERMCPF-BZUAXINKSA-N 1 0 317.477 3.058 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000245465290 432834710 /nfs/dbraw/zinc/83/47/10/432834710.db2.gz IMUNWEKWEXOYIM-GDBMZVCRSA-N 1 0 314.433 3.214 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000245477159 432835692 /nfs/dbraw/zinc/83/56/92/432835692.db2.gz UFXVYYKFOUZSAA-IAGOWNOFSA-N 1 0 317.477 3.047 10 0 DGAERO COc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1Cl ZINC000178988525 432794275 /nfs/dbraw/zinc/79/42/75/432794275.db2.gz IDPBHCBWVPYXPT-UHFFFAOYSA-N 1 0 319.836 3.462 10 0 DGAERO Cc1csc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000179011882 432795284 /nfs/dbraw/zinc/79/52/84/432795284.db2.gz QIMHLJSNWXLOQO-ZIAGYGMSSA-N 1 0 316.430 3.018 10 0 DGAERO CCOc1ccc(OCC[N@H+](CC)CCc2nccs2)cc1 ZINC000179040193 432797435 /nfs/dbraw/zinc/79/74/35/432797435.db2.gz JWSUNPIETPEKNU-UHFFFAOYSA-N 1 0 320.458 3.485 10 0 DGAERO C[NH+](C)CCN(Cc1c[nH]c(-c2ccccc2)n1)C1CCCC1 ZINC000189584196 432801777 /nfs/dbraw/zinc/80/17/77/432801777.db2.gz BVCPHIFBURLHAU-UHFFFAOYSA-N 1 0 312.461 3.383 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2(c3cccc(F)c3)CCCCC2)C1 ZINC000237892649 432802701 /nfs/dbraw/zinc/80/27/01/432802701.db2.gz DGFKOQLILOMXDF-YOEHRIQHSA-N 1 0 318.436 3.271 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3c(F)cccc3F)CCCC2)C1 ZINC000237938487 432805892 /nfs/dbraw/zinc/80/58/92/432805892.db2.gz NEIUVWHQDLTPAE-CHWSQXEVSA-N 1 0 322.399 3.020 10 0 DGAERO CCC[C@@H](C(=O)Nc1nc(-c2ccc(O)cc2)cs1)[NH+](C)C ZINC000162027101 432808545 /nfs/dbraw/zinc/80/85/45/432808545.db2.gz KORVYQIAUYVSKQ-AWEZNQCLSA-N 1 0 319.430 3.185 10 0 DGAERO CCOc1cc(Cl)ccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245513328 432838908 /nfs/dbraw/zinc/83/89/08/432838908.db2.gz ADAQPIJZNQQLNP-JSGCOSHPSA-N 1 0 324.852 3.293 10 0 DGAERO C[C@@H](C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccccc1 ZINC000189704523 432812504 /nfs/dbraw/zinc/81/25/04/432812504.db2.gz DYHHAABTSFRHOX-HNNXBMFYSA-N 1 0 310.445 3.213 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000245749981 432861076 /nfs/dbraw/zinc/86/10/76/432861076.db2.gz NQIVXNAKJRLAHZ-ZBEGNZNMSA-N 1 0 300.368 3.266 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2c(F)cccc2F)[C@H](C)C1 ZINC000245781367 432863251 /nfs/dbraw/zinc/86/32/51/432863251.db2.gz MFIVDYJPQUJGEK-IOASZLSFSA-N 1 0 324.415 3.257 10 0 DGAERO COc1ccc2oc(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cc2c1 ZINC000245814175 432864292 /nfs/dbraw/zinc/86/42/92/432864292.db2.gz ZWSYSJCRJHFCOB-ZFWWWQNUSA-N 1 0 300.402 3.110 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H]2CCCO[C@H]21 ZINC000245899082 432867804 /nfs/dbraw/zinc/86/78/04/432867804.db2.gz NQMGLHVUBWAOBE-BMGDILEWSA-N 1 0 317.429 3.141 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245913070 432869181 /nfs/dbraw/zinc/86/91/81/432869181.db2.gz DXVUZHIWKSNDMU-KFWWJZLASA-N 1 0 308.491 3.253 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2sccc2C)[C@@H](C)C1 ZINC000245925228 432870720 /nfs/dbraw/zinc/87/07/20/432870720.db2.gz HOVAGRNTFLRQJF-JJXSEGSLSA-N 1 0 320.502 3.349 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246020712 432874764 /nfs/dbraw/zinc/87/47/64/432874764.db2.gz LCCRUYHEBZSWJV-VHDGCEQUSA-N 1 0 322.399 3.059 10 0 DGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000246040636 432875193 /nfs/dbraw/zinc/87/51/93/432875193.db2.gz XAWBDFFEGVILLD-PWRODBHTSA-N 1 0 316.404 3.419 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000246047351 432875328 /nfs/dbraw/zinc/87/53/28/432875328.db2.gz BXTLYHIHPSVFHT-WQGACYEGSA-N 1 0 301.434 3.474 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2C)[C@@H](C)C1 ZINC000246034167 432875403 /nfs/dbraw/zinc/87/54/03/432875403.db2.gz OCCGZWOJTFKUPE-RDJZCZTQSA-N 1 0 303.450 3.497 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000277811863 432876840 /nfs/dbraw/zinc/87/68/40/432876840.db2.gz YYZXDKJNQNHGED-BAILOTOSSA-N 1 0 324.472 3.390 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000245537283 432840802 /nfs/dbraw/zinc/84/08/02/432840802.db2.gz ISNVMHUVOAXIIF-BZUAXINKSA-N 1 0 313.445 3.201 10 0 DGAERO Cc1cccc(-c2cncc(C(=O)N3CCC([NH+](C)C)CC3)c2)c1 ZINC000163078476 432842550 /nfs/dbraw/zinc/84/25/50/432842550.db2.gz UMNDTNUGWREMOW-UHFFFAOYSA-N 1 0 323.440 3.223 10 0 DGAERO CCCn1c2ccccc2nc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245560163 432845334 /nfs/dbraw/zinc/84/53/34/432845334.db2.gz MKUDUUZTRNDXDR-INIZCTEOSA-N 1 0 312.461 3.116 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245568046 432846676 /nfs/dbraw/zinc/84/66/76/432846676.db2.gz YASDNJFXFPEJIM-FMKPAKJESA-N 1 0 322.880 3.460 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)c1ccccc1C ZINC000245583797 432848030 /nfs/dbraw/zinc/84/80/30/432848030.db2.gz ABJAYSNDFQRUQZ-ZACQAIPSSA-N 1 0 315.461 3.324 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000245600293 432849046 /nfs/dbraw/zinc/84/90/46/432849046.db2.gz OODWPQWTLGNXCL-IGNZVWTISA-N 1 0 317.383 3.456 10 0 DGAERO CC[C@H](C)CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245614898 432850686 /nfs/dbraw/zinc/85/06/86/432850686.db2.gz CRNHYTZGKTUAQI-XIRDDKMYSA-N 1 0 303.450 3.119 10 0 DGAERO C[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000163366755 432851512 /nfs/dbraw/zinc/85/15/12/432851512.db2.gz KCQLCABDTJGBEZ-DNVCBOLYSA-N 1 0 300.446 3.203 10 0 DGAERO CCC[C@@H](C[N@@H+]1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000245636662 432851604 /nfs/dbraw/zinc/85/16/04/432851604.db2.gz CEOJTWMGLNIKTQ-RBUKOAKNSA-N 1 0 313.445 3.168 10 0 DGAERO CCC[C@H](C[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000245643946 432853182 /nfs/dbraw/zinc/85/31/82/432853182.db2.gz FDMSBRNWTHATFO-IAGOWNOFSA-N 1 0 314.433 3.070 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000245702335 432857154 /nfs/dbraw/zinc/85/71/54/432857154.db2.gz ZPCZBUFHBZGNKS-GXTWGEPZSA-N 1 0 302.409 3.001 10 0 DGAERO C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279838987 432994504 /nfs/dbraw/zinc/99/45/04/432994504.db2.gz ZRVMCSXXAIYBTK-GXTWGEPZSA-N 1 0 310.463 3.483 10 0 DGAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000076988589 292706864 /nfs/dbraw/zinc/70/68/64/292706864.db2.gz BCXHMWPQSLHYDR-RTBURBONSA-N 1 0 312.457 3.185 10 0 DGAERO O=C(Nc1scnc1C1CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333091152 433031863 /nfs/dbraw/zinc/03/18/63/433031863.db2.gz CLFZCOITBGOSIX-ZDUSSCGKSA-N 1 0 320.462 3.016 10 0 DGAERO Cc1nc(CC(C)C)c(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000333181157 433037633 /nfs/dbraw/zinc/03/76/33/433037633.db2.gz RZOSLYLDQMSNKC-CYBMUJFWSA-N 1 0 324.494 3.256 10 0 DGAERO c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)nc1 ZINC000341410987 433052211 /nfs/dbraw/zinc/05/22/11/433052211.db2.gz VTRIBYHTPFHVNY-BRWVUGGUSA-N 1 0 303.450 3.069 10 0 DGAERO Cc1coc2ccc(NC(=O)N3CCC4(CC[NH2+]C4)CC3)cc12 ZINC000333306784 433047046 /nfs/dbraw/zinc/04/70/46/433047046.db2.gz LAIMHTUUMAVWQO-UHFFFAOYSA-N 1 0 313.401 3.349 10 0 DGAERO C[C@@]1(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1(Cl)Cl ZINC000172423827 289127336 /nfs/dbraw/zinc/12/73/36/289127336.db2.gz MZYFQNNPKFQSRH-AWEZNQCLSA-N 1 0 319.276 3.047 10 0 DGAERO CC(=O)c1ccc(OC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000290515917 433075255 /nfs/dbraw/zinc/07/52/55/433075255.db2.gz NHQKETDZTUQTBG-KRWDZBQOSA-N 1 0 307.365 3.007 10 0 DGAERO C[C@H](NC(=O)Nc1cccc2c1CCCC2)[C@H]1CCC[NH2+]C1 ZINC000333944728 433130574 /nfs/dbraw/zinc/13/05/74/433130574.db2.gz SGEIWRAHCMXGLZ-ZFWWWQNUSA-N 1 0 301.434 3.075 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC000446977788 433139014 /nfs/dbraw/zinc/13/90/14/433139014.db2.gz RQABJHNDYFQFTR-CRAIPNDOSA-N 1 0 302.462 3.233 10 0 DGAERO O=C(NC1CCC(c2ccccc2)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333844508 433114249 /nfs/dbraw/zinc/11/42/49/433114249.db2.gz VUSKZGOIJBHJFS-DAWZGUTISA-N 1 0 315.461 3.154 10 0 DGAERO CC[C@H]1C[C@@H](C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)CCO1 ZINC000425369558 433207319 /nfs/dbraw/zinc/20/73/19/433207319.db2.gz MJYLEVPFKYLHPS-KBPBESRZSA-N 1 0 324.852 3.382 10 0 DGAERO CCOc1ccc(CN(C)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000361495797 433208285 /nfs/dbraw/zinc/20/82/85/433208285.db2.gz HENVGGRALOLITB-UHFFFAOYSA-N 1 0 302.422 3.064 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)ccc2F)C[C@H]1C ZINC000447135956 433166125 /nfs/dbraw/zinc/16/61/25/433166125.db2.gz KKIAWZKNQALCBR-CHWSQXEVSA-N 1 0 323.412 3.171 10 0 DGAERO CC[N@H+](Cc1ccc(Br)cc1F)[C@@H]1CCOC1 ZINC000336686469 433181672 /nfs/dbraw/zinc/18/16/72/433181672.db2.gz GGLJUTJLXSNVBN-GFCCVEGCSA-N 1 0 302.187 3.199 10 0 DGAERO c1[nH]nc2cc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)ccc12 ZINC000374472326 433201128 /nfs/dbraw/zinc/20/11/28/433201128.db2.gz PRGUWNKDUUEGIH-HKUYNNGSSA-N 1 0 307.397 3.430 10 0 DGAERO CC(=O)c1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1C ZINC000447459440 433201911 /nfs/dbraw/zinc/20/19/11/433201911.db2.gz IYRZGSCBPDDBRM-HUUCEWRRSA-N 1 0 316.445 3.190 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNCc2sc(C)cc2Br)C1 ZINC000453591255 433217943 /nfs/dbraw/zinc/21/79/43/433217943.db2.gz PTCTXLTWSZCXSC-NSHDSACASA-N 1 0 317.296 3.250 10 0 DGAERO COCC[C@@H](c1ccccc1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000361523914 433228120 /nfs/dbraw/zinc/22/81/20/433228120.db2.gz HHSJASZAYIMXOI-HKUYNNGSSA-N 1 0 319.445 3.034 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)C1 ZINC000447583942 433236466 /nfs/dbraw/zinc/23/64/66/433236466.db2.gz DISKHSGUWCGAKB-WBAXXEDZSA-N 1 0 315.461 3.264 10 0 DGAERO CC(C)C1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000374677260 433252990 /nfs/dbraw/zinc/25/29/90/433252990.db2.gz RELYDHYDHADSCY-JYSRZZCRSA-N 1 0 309.494 3.359 10 0 DGAERO COCC[N@H+](Cc1cc(OC)ccc1OC)[C@@H]1CC[C@H](C)C1 ZINC000361639477 433303456 /nfs/dbraw/zinc/30/34/56/433303456.db2.gz OUDFCDQYOHPJQM-GOEBONIOSA-N 1 0 307.434 3.341 10 0 DGAERO COCC[N@H+](Cc1cc(OC)ccc1OC)[C@H]1CC[C@@H](C)C1 ZINC000361639479 433304766 /nfs/dbraw/zinc/30/47/66/433304766.db2.gz OUDFCDQYOHPJQM-ZBFHGGJFSA-N 1 0 307.434 3.341 10 0 DGAERO CC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000421097565 433430378 /nfs/dbraw/zinc/43/03/78/433430378.db2.gz WUHIKLQJFJXPSI-ZDUSSCGKSA-N 1 0 323.824 3.101 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000300422687 433394331 /nfs/dbraw/zinc/39/43/31/433394331.db2.gz RVJOMEBOHLLCKU-OSAQELSMSA-N 1 0 312.251 3.131 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C3CCC3)c2)C1 ZINC000361807917 433398376 /nfs/dbraw/zinc/39/83/76/433398376.db2.gz LAFZZSZUZVSGGW-AWEZNQCLSA-N 1 0 301.434 3.417 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000246948216 289913500 /nfs/dbraw/zinc/91/35/00/289913500.db2.gz OTZUWFPUEWLDNE-TVYUQYBPSA-N 1 0 300.324 3.010 10 0 DGAERO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)C2)cc1 ZINC000375276163 433406552 /nfs/dbraw/zinc/40/65/52/433406552.db2.gz RMXYDAPMYKMFCK-VNTMZGSJSA-N 1 0 315.457 3.326 10 0 DGAERO C[C@@H]1CC[N@H+](CCC(=O)Nc2cccnc2)[C@@H](c2ccco2)C1 ZINC000361834830 433411237 /nfs/dbraw/zinc/41/12/37/433411237.db2.gz XCPAKMWOAMDUCU-GDBMZVCRSA-N 1 0 313.401 3.476 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](CCc3ccncc3)C2)n2c1CCCC2 ZINC000281883263 433418304 /nfs/dbraw/zinc/41/83/04/433418304.db2.gz ALZLCFAPBSDKHQ-KRWDZBQOSA-N 1 0 310.445 3.037 10 0 DGAERO COc1cccc(CC[NH2+][C@H]2CCCOc3cc(C)ccc32)n1 ZINC000361926560 433452932 /nfs/dbraw/zinc/45/29/32/433452932.db2.gz KOOJBFKSQQGUFV-KRWDZBQOSA-N 1 0 312.413 3.445 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2ccc(OC)c(OC)c2)n1 ZINC000361924367 433453011 /nfs/dbraw/zinc/45/30/11/433453011.db2.gz NERPUZUFVMYALG-CYBMUJFWSA-N 1 0 316.401 3.001 10 0 DGAERO COc1cccc(CC[NH2+][C@@H]2CCCc3nc(C)sc32)n1 ZINC000361924359 433453776 /nfs/dbraw/zinc/45/37/76/433453776.db2.gz NEPAZOAHQPEQAB-CYBMUJFWSA-N 1 0 303.431 3.065 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1N(C)C ZINC000245865568 290033733 /nfs/dbraw/zinc/03/37/33/290033733.db2.gz JSYRSXSAGDQPDN-PAYONLEZSA-N 1 0 300.446 3.361 10 0 DGAERO C[C@@H]([NH2+]CCc1csc(N2CCCC2)n1)c1ccccn1 ZINC000159169731 292785751 /nfs/dbraw/zinc/78/57/51/292785751.db2.gz BAFQJYYMIGAIFS-CYBMUJFWSA-N 1 0 302.447 3.032 10 0 DGAERO C[C@H](c1ccc(C(F)(F)F)cc1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000245904804 290224237 /nfs/dbraw/zinc/22/42/37/290224237.db2.gz HJGKZIPTAWJKSS-DOMZBBRYSA-N 1 0 316.367 3.029 10 0 DGAERO c1onc(Cc2ccccc2)c1C[NH2+]CCCc1ccccn1 ZINC000339322473 433513073 /nfs/dbraw/zinc/51/30/73/433513073.db2.gz LNEXYNHSTDXQOQ-UHFFFAOYSA-N 1 0 307.397 3.383 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@H]3CC34CCSCC4)o2)n[nH]1 ZINC000421371828 433513773 /nfs/dbraw/zinc/51/37/73/433513773.db2.gz DXIKMDLLYTYFCB-GFCCVEGCSA-N 1 0 303.431 3.293 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@@H]3CC34CCSCC4)o2)n[nH]1 ZINC000421371830 433515104 /nfs/dbraw/zinc/51/51/04/433515104.db2.gz DXIKMDLLYTYFCB-LBPRGKRZSA-N 1 0 303.431 3.293 10 0 DGAERO Cc1ccnc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000301358485 433522554 /nfs/dbraw/zinc/52/25/54/433522554.db2.gz ZGIUPCXFBAVLLC-DFNIBXOVSA-N 1 0 322.456 3.417 10 0 DGAERO CSc1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nn1 ZINC000301368195 433526202 /nfs/dbraw/zinc/52/62/02/433526202.db2.gz TVMCFNLQAXOYMW-OAHLLOKOSA-N 1 0 314.458 3.448 10 0 DGAERO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000355207619 433535813 /nfs/dbraw/zinc/53/58/13/433535813.db2.gz FSIVZXCZLQJXAV-ZIAGYGMSSA-N 1 0 317.458 3.387 10 0 DGAERO c1ccc(COc2cccc(C[N@@H+]3CC[C@]34CCOC4)c2)nc1 ZINC000421391374 433537915 /nfs/dbraw/zinc/53/79/15/433537915.db2.gz ALSYAOIBWJFRPD-LJQANCHMSA-N 1 0 310.397 3.025 10 0 DGAERO c1cn(-c2ccc(C[NH2+]C[C@@H]3CC34CCSCC4)cc2)cn1 ZINC000421347592 433488481 /nfs/dbraw/zinc/48/84/81/433488481.db2.gz FTLXIYMTMWQJPN-INIZCTEOSA-N 1 0 313.470 3.495 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CC23CCSCC3)c2c(c1)OCCO2 ZINC000421345299 433488874 /nfs/dbraw/zinc/48/88/74/433488874.db2.gz AJOHMQNDHNFCOP-AWEZNQCLSA-N 1 0 305.443 3.081 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000355139801 433488948 /nfs/dbraw/zinc/48/89/48/433488948.db2.gz UMMLJERLUKZPIM-GDBMZVCRSA-N 1 0 315.442 3.206 10 0 DGAERO c1c[nH]c([C@H]2CCC[N@H+]2CCOCCOc2ccccc2)c1 ZINC000339289487 433498921 /nfs/dbraw/zinc/49/89/21/433498921.db2.gz KCWLSCKGRLKFOB-GOSISDBHSA-N 1 0 300.402 3.247 10 0 DGAERO c1nc(NCCCC[NH+]2CCOCC2)sc1-c1ccccc1 ZINC000301452101 433560427 /nfs/dbraw/zinc/56/04/27/433560427.db2.gz ULBBXJIZUGFZJE-UHFFFAOYSA-N 1 0 317.458 3.334 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]Cc1ccc(OC3CCCC3)nc1)CCC2 ZINC000375794301 433564711 /nfs/dbraw/zinc/56/47/11/433564711.db2.gz VHLPEBUOICGCDV-INIZCTEOSA-N 1 0 312.417 3.293 10 0 DGAERO CCS[C@@H]1CC[C@]1(O)CNc1cc[nH+]c2cc(F)ccc12 ZINC000301493319 433580971 /nfs/dbraw/zinc/58/09/71/433580971.db2.gz QHNJCQNQKAAHEA-CVEARBPZSA-N 1 0 306.406 3.432 10 0 DGAERO C[NH+](C)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000301595510 433629340 /nfs/dbraw/zinc/62/93/40/433629340.db2.gz FSLYRPMBGDPLLX-UHFFFAOYSA-N 1 0 305.422 3.480 10 0 DGAERO CC(C)CCn1cccc1C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000161618642 292838738 /nfs/dbraw/zinc/83/87/38/292838738.db2.gz GPLKSDARZLTCIM-UHFFFAOYSA-N 1 0 319.493 3.271 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000162693500 292857763 /nfs/dbraw/zinc/85/77/63/292857763.db2.gz HUVGJQYJIAGGIS-RISCZKNCSA-N 1 0 303.855 3.061 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000162693637 292857792 /nfs/dbraw/zinc/85/77/92/292857792.db2.gz HUVGJQYJIAGGIS-BXUZGUMPSA-N 1 0 303.855 3.061 10 0 DGAERO c1c(C2CC2)[nH]nc1N1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000426792302 433600454 /nfs/dbraw/zinc/60/04/54/433600454.db2.gz IUIKMCJMSRYKSH-IBGZPJMESA-N 1 0 322.456 3.487 10 0 DGAERO c1ccc(-c2noc(C[N@@H+]3CC[C@H](Cc4ccncc4)C3)n2)cc1 ZINC000375867262 433600689 /nfs/dbraw/zinc/60/06/89/433600689.db2.gz CTUNPXPRCORKFD-MRXNPFEDSA-N 1 0 320.396 3.196 10 0 DGAERO C[C@H](F)CC[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000339486688 433618502 /nfs/dbraw/zinc/61/85/02/433618502.db2.gz UINKAGOQENWLQJ-QMMMGPOBSA-N 1 0 304.159 3.016 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000342414724 433672505 /nfs/dbraw/zinc/67/25/05/433672505.db2.gz COBFYBWOZITANU-CQSZACIVSA-N 1 0 323.421 3.471 10 0 DGAERO COCCOC[C@H]1CCN(c2cc[nH+]c3c(C)cccc23)C1 ZINC000301686999 433679561 /nfs/dbraw/zinc/67/95/61/433679561.db2.gz UVRLASMYNDMECX-HNNXBMFYSA-N 1 0 300.402 3.033 10 0 DGAERO COCCOC[C@@H]1CCN(c2cc[nH+]c3c(C)cccc23)C1 ZINC000301687000 433679779 /nfs/dbraw/zinc/67/97/79/433679779.db2.gz UVRLASMYNDMECX-OAHLLOKOSA-N 1 0 300.402 3.033 10 0 DGAERO COc1cc(C)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000449031708 433693260 /nfs/dbraw/zinc/69/32/60/433693260.db2.gz VWEIQFLDPRCISG-DZGCQCFKSA-N 1 0 317.351 3.281 10 0 DGAERO Cc1cccn2c(CN3CCCC[C@H]3c3ccnn3C)cnc12 ZINC000366949402 293007703 /nfs/dbraw/zinc/00/77/03/293007703.db2.gz AVFHWDMKYWJXBV-KRWDZBQOSA-N 1 0 309.417 3.103 10 0 DGAERO Cc1cccn2c(CN3CCCC[C@@H]3c3ccnn3C)cnc12 ZINC000366949403 293007775 /nfs/dbraw/zinc/00/77/75/293007775.db2.gz AVFHWDMKYWJXBV-QGZVFWFLSA-N 1 0 309.417 3.103 10 0 DGAERO c1cn(Cc2ccccc2)c(CNc2cc3c(c[nH+]2)CCC3)n1 ZINC000339554550 433651735 /nfs/dbraw/zinc/65/17/35/433651735.db2.gz LNYAGNWSGXOJLQ-UHFFFAOYSA-N 1 0 304.397 3.427 10 0 DGAERO Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000367025556 293014686 /nfs/dbraw/zinc/01/46/86/293014686.db2.gz BKKMSGZEROELML-AWEZNQCLSA-N 1 0 315.421 3.022 10 0 DGAERO Clc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC000367423647 293070154 /nfs/dbraw/zinc/07/01/54/293070154.db2.gz WACDAACCWKUOJZ-DOMZBBRYSA-N 1 0 316.228 3.421 10 0 DGAERO c1csc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)co2)c1 ZINC000368499610 293127984 /nfs/dbraw/zinc/12/79/84/293127984.db2.gz RCKCYITZMCNBPK-MRXNPFEDSA-N 1 0 304.415 3.406 10 0 DGAERO Brc1cscc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370204429 293162928 /nfs/dbraw/zinc/16/29/28/293162928.db2.gz PZVOMOUQVQZNRA-NEPJUHHUSA-N 1 0 315.280 3.227 10 0 DGAERO c1cc2c(cc1C[N@@H+]1CCC[C@@H]3COCC[C@H]31)OCCCCO2 ZINC000449049846 433706838 /nfs/dbraw/zinc/70/68/38/433706838.db2.gz SJMGSWDVAIORPK-IAGOWNOFSA-N 1 0 317.429 3.239 10 0 DGAERO COc1cc(C)cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000373292536 293257871 /nfs/dbraw/zinc/25/78/71/293257871.db2.gz PMCRKLNEIKEEKV-HUUCEWRRSA-N 1 0 317.433 3.060 10 0 DGAERO CC(C)c1nc([C@H]2CCC[N@H+](C[C@H]3CCC(C)(C)O3)C2)no1 ZINC000373490598 293282120 /nfs/dbraw/zinc/28/21/20/293282120.db2.gz SMCHXCHJOSVPFZ-UONOGXRCSA-N 1 0 307.438 3.330 10 0 DGAERO Cn1ccnc1[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)C1CC1 ZINC000373544228 293288180 /nfs/dbraw/zinc/28/81/80/293288180.db2.gz BODYHRLFPXNINQ-IBGZPJMESA-N 1 0 324.472 3.377 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)ccc1OC ZINC000247225370 293301112 /nfs/dbraw/zinc/30/11/12/293301112.db2.gz WPCAFJNMXIUGBI-CKNFYHOISA-N 1 0 319.445 3.450 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)CC(C)(F)F)[C@@H]1c1cccs1 ZINC000373775961 293315502 /nfs/dbraw/zinc/31/55/02/293315502.db2.gz QVRMHVWYVGUWRR-SMDDNHRTSA-N 1 0 316.417 3.293 10 0 DGAERO CC(=O)CC[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000374022547 293343444 /nfs/dbraw/zinc/34/34/44/293343444.db2.gz RTXWQCJMYGLFDA-MRXNPFEDSA-N 1 0 324.465 3.077 10 0 DGAERO COc1ccc(OC)c(C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000374132329 293355637 /nfs/dbraw/zinc/35/56/37/293355637.db2.gz QNDXUHWPGQGTON-UHFFFAOYSA-N 1 0 305.418 3.095 10 0 DGAERO c1[nH]c2ccccc2c1C[C@H]1COCC[N@H+]1CCc1cccnc1 ZINC000374147292 293358443 /nfs/dbraw/zinc/35/84/43/293358443.db2.gz HVMRMLWWIPAASO-SFHVURJKSA-N 1 0 321.424 3.049 10 0 DGAERO CCCCc1noc([C@@H](C)N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374170906 293361093 /nfs/dbraw/zinc/36/10/93/293361093.db2.gz BHFMLFJSGAMLIL-OAHLLOKOSA-N 1 0 320.481 3.281 10 0 DGAERO Clc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1Cl ZINC000374290010 293378239 /nfs/dbraw/zinc/37/82/39/293378239.db2.gz XTLBPUJNIGSUIG-IUODEOHRSA-N 1 0 316.228 3.421 10 0 DGAERO O[C@H]1[C@@H](C[NH2+]Cc2sccc2Cl)CCC12CCOCC2 ZINC000374684697 293434958 /nfs/dbraw/zinc/43/49/58/293434958.db2.gz BBFVJXWHDNIJDK-RISCZKNCSA-N 1 0 315.866 3.059 10 0 DGAERO CC[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000362533093 433743255 /nfs/dbraw/zinc/74/32/55/433743255.db2.gz DVTBAZMAZWZTKB-KURKYZTESA-N 1 0 322.493 3.059 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421823465 433747657 /nfs/dbraw/zinc/74/76/57/433747657.db2.gz ZRPPLZBDLRMPDF-GOSISDBHSA-N 1 0 318.424 3.305 10 0 DGAERO OC[C@@H]([C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C1CC1)C1CC1 ZINC000449503104 433748141 /nfs/dbraw/zinc/74/81/41/433748141.db2.gz HLHXWMPVXDSCCO-AWRGBYNESA-N 1 0 303.421 3.458 10 0 DGAERO CC(C)[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)C1(CO)CCC1 ZINC000339728716 433750321 /nfs/dbraw/zinc/75/03/21/433750321.db2.gz AHHWELQNUKZDOH-GFCCVEGCSA-N 1 0 322.396 3.439 10 0 DGAERO CCc1nc2sccc2c(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000301857694 433760347 /nfs/dbraw/zinc/76/03/47/433760347.db2.gz ZUPSYYWACPQRSE-WCQYABFASA-N 1 0 304.463 3.394 10 0 DGAERO c1cn(C2CCCC2)nc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421845672 433766060 /nfs/dbraw/zinc/76/60/60/433766060.db2.gz QNYCAUVALVDNIY-INIZCTEOSA-N 1 0 310.445 3.430 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000430251754 433788892 /nfs/dbraw/zinc/78/88/92/433788892.db2.gz OXDCXNMLGWHJEA-IBGZPJMESA-N 1 0 310.445 3.481 10 0 DGAERO C1CC2(C1)[C@H]([NH2+][C@H]1CCC[C@@H]([C@H]3CCOC3)C1)[C@@H]1CCO[C@@H]12 ZINC000343455682 433803684 /nfs/dbraw/zinc/80/36/84/433803684.db2.gz MGSMDZOGUFPRDV-CJNLHWCBSA-N 1 0 305.462 3.129 10 0 DGAERO Cc1cc(NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)cc[nH+]1 ZINC000302212343 433815227 /nfs/dbraw/zinc/81/52/27/433815227.db2.gz DUDRQYIICRCERY-HOCLYGCPSA-N 1 0 317.458 3.325 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Br)ccc1F ZINC000376056675 293607892 /nfs/dbraw/zinc/60/78/92/293607892.db2.gz LHJPLJBVUSLZPQ-STRQVWJDSA-N 1 0 314.198 3.131 10 0 DGAERO COc1ccc2c(c1)N(C(=O)CC1CC[NH+](C)CC1)CCCC2 ZINC000362893549 433899003 /nfs/dbraw/zinc/89/90/03/433899003.db2.gz QPUATRBCSCPKAR-UHFFFAOYSA-N 1 0 316.445 3.096 10 0 DGAERO CC(C)(C)N1C[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1=O ZINC000436250736 433915614 /nfs/dbraw/zinc/91/56/14/433915614.db2.gz WPHHHAHVZKBKBM-IXDOHACOSA-N 1 0 300.446 3.312 10 0 DGAERO c1cncc([C@@H]([NH2+]Cc2cccc3c2OCCCO3)C2CC2)c1 ZINC000340103181 433922017 /nfs/dbraw/zinc/92/20/17/433922017.db2.gz DPGLYMIXXIMPBR-SFHVURJKSA-N 1 0 310.397 3.484 10 0 DGAERO C[C@@H]1CN(CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000436278900 433926875 /nfs/dbraw/zinc/92/68/75/433926875.db2.gz GTCIULZDAZYPKO-HNBVOPMISA-N 1 0 316.489 3.412 10 0 DGAERO CN(C)[C@]1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCSC1 ZINC000436288666 433928426 /nfs/dbraw/zinc/92/84/26/433928426.db2.gz GKCRZGCRCOSNOF-KSZLIROESA-N 1 0 304.503 3.350 10 0 DGAERO C[C@@H](CNC(=O)NC1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000303487946 433943596 /nfs/dbraw/zinc/94/35/96/433943596.db2.gz RNLJNEJVKPPXCQ-HNNXBMFYSA-N 1 0 303.450 3.139 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CC/C=C/c2ccccc2)C1 ZINC000457122523 434006051 /nfs/dbraw/zinc/00/60/51/434006051.db2.gz OTCWRDXNYQUYRD-DBEXCURXSA-N 1 0 300.446 3.421 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000304531667 434015236 /nfs/dbraw/zinc/01/52/36/434015236.db2.gz BUUJEMXJRLJUDJ-KOLCDFICSA-N 1 0 304.253 3.151 10 0 DGAERO CCCC1(C[NH2+]Cc2c(Br)cnn2C)CCC1 ZINC000391923237 293828404 /nfs/dbraw/zinc/82/84/04/293828404.db2.gz CLIRAONOCUEYKE-UHFFFAOYSA-N 1 0 300.244 3.243 10 0 DGAERO c1ccc(OC2CC2)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000450264931 434066488 /nfs/dbraw/zinc/06/64/88/434066488.db2.gz HQLCIHBWKZGAPE-KRWDZBQOSA-N 1 0 300.446 3.288 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000340356605 434083000 /nfs/dbraw/zinc/08/30/00/434083000.db2.gz QMPISCYQHQLHND-HKUYNNGSSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(I)c1 ZINC000306346848 434083849 /nfs/dbraw/zinc/08/38/49/434083849.db2.gz CKCLIKMZRGQZJB-CABZTGNLSA-N 1 0 301.171 3.179 10 0 DGAERO c1csc(CCN2CC[NH+](CC34CCC(CC3)C4)CC2)c1 ZINC000450292614 434085150 /nfs/dbraw/zinc/08/51/50/434085150.db2.gz ZWAQAMJCGJKHTL-UHFFFAOYSA-N 1 0 304.503 3.489 10 0 DGAERO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(F)cccc1Br ZINC000357614995 434099379 /nfs/dbraw/zinc/09/93/79/434099379.db2.gz NGXQUWRPCJTPNT-QWRGUYRKSA-N 1 0 315.230 3.113 10 0 DGAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449705394 293949289 /nfs/dbraw/zinc/94/92/89/293949289.db2.gz KLRLUKHANBFCDT-GFCCVEGCSA-N 1 0 314.385 3.392 10 0 DGAERO CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000451460850 293954276 /nfs/dbraw/zinc/95/42/76/293954276.db2.gz AGCHDRFWUAIMLO-MAUKXSAKSA-N 1 0 319.445 3.137 10 0 DGAERO C[C@H](c1cc(Br)cs1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310266469 434107764 /nfs/dbraw/zinc/10/77/64/434107764.db2.gz HICJIAMPWKQUDN-GIPNMCIBSA-N 1 0 317.296 3.488 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000313048937 434116907 /nfs/dbraw/zinc/11/69/07/434116907.db2.gz ZBFSAMLLLUHZFU-NSHDSACASA-N 1 0 302.187 3.103 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000313062151 434119857 /nfs/dbraw/zinc/11/98/57/434119857.db2.gz JKLGXNRYGFBLAG-GFCCVEGCSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1sc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)nc1-c1ccc(C)cc1 ZINC000237794611 294077611 /nfs/dbraw/zinc/07/76/11/294077611.db2.gz FJGXZTUXQYWYSO-ZIAGYGMSSA-N 1 0 315.442 3.493 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000506900882 294277714 /nfs/dbraw/zinc/27/77/14/294277714.db2.gz HFVGGVCJUGTSBE-OWCLPIDISA-N 1 0 307.482 3.081 10 0 DGAERO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000509668897 294361025 /nfs/dbraw/zinc/36/10/25/294361025.db2.gz FDSLTTWOIQYDRJ-MSOLQXFVSA-N 1 0 319.445 3.113 10 0 DGAERO COc1cc(OC)c(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c(OC)c1 ZINC000510671545 294389182 /nfs/dbraw/zinc/38/91/82/294389182.db2.gz QCIWSWPFUFLGDY-NVXWUHKLSA-N 1 0 319.445 3.423 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](CO)CC2CCCC2)c(OC)c1 ZINC000511038322 294399580 /nfs/dbraw/zinc/39/95/80/294399580.db2.gz PNMOULRHQHBPTJ-ZFWWWQNUSA-N 1 0 307.434 3.296 10 0 DGAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](CO)CC2CCCC2)c1 ZINC000511038325 294399772 /nfs/dbraw/zinc/39/97/72/294399772.db2.gz PPOUCEHDACFYNI-UKRRQHHQSA-N 1 0 307.434 3.296 10 0 DGAERO c1csc(-c2cc(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084178 434158979 /nfs/dbraw/zinc/15/89/79/434158979.db2.gz KVRYVZJCRBGTGE-DZGCQCFKSA-N 1 0 317.458 3.367 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)Cc2ccc(Cl)cc2)C1 ZINC000457450537 434176537 /nfs/dbraw/zinc/17/65/37/434176537.db2.gz HPMNHOTUVAJIGX-OAHLLOKOSA-N 1 0 322.880 3.367 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC3(C2)CCCCC3)CC1 ZINC000363899055 434179278 /nfs/dbraw/zinc/17/92/78/434179278.db2.gz SHSWFPKRAINUOT-UHFFFAOYSA-N 1 0 307.482 3.084 10 0 DGAERO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000357793585 434185195 /nfs/dbraw/zinc/18/51/95/434185195.db2.gz LQXHVIMIHHZPSK-INIZCTEOSA-N 1 0 306.413 3.486 10 0 DGAERO c1cc(C[NH2+]C[C@H]2OCCc3ccccc32)n(-c2ccccc2)n1 ZINC000363936798 434186149 /nfs/dbraw/zinc/18/61/49/434186149.db2.gz KQSMYOGUANHBCQ-HXUWFJFHSA-N 1 0 319.408 3.276 10 0 DGAERO C[C@@H]1CCOCCN1Cc1ccc(Br)cc1F ZINC000378490187 434200840 /nfs/dbraw/zinc/20/08/40/434200840.db2.gz IHXUCFMIXOQKHO-SNVBAGLBSA-N 1 0 302.187 3.199 10 0 DGAERO C[C@@H](Oc1cccc2ccccc21)C(=O)N(C)CCC[NH+](C)C ZINC000514650859 294506511 /nfs/dbraw/zinc/50/65/11/294506511.db2.gz AHZSYICNPMDAEU-OAHLLOKOSA-N 1 0 314.429 3.017 10 0 DGAERO O=C(c1cc(Cl)sc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000364134582 434240374 /nfs/dbraw/zinc/24/03/74/434240374.db2.gz OAOMJFKAXMCUGU-SECBINFHSA-N 1 0 319.257 3.365 10 0 DGAERO c1ccc(COCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000382006870 434276197 /nfs/dbraw/zinc/27/61/97/434276197.db2.gz SNEJAVHUUBAREM-UHFFFAOYSA-N 1 0 310.441 3.416 10 0 DGAERO COC[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000379647188 434258139 /nfs/dbraw/zinc/25/81/39/434258139.db2.gz KDWAFSKEZFCTBU-OALUTQOASA-N 1 0 304.478 3.302 10 0 DGAERO CC(C)[C@H](C)[NH2+]Cc1cccc(I)c1 ZINC000379483362 434260681 /nfs/dbraw/zinc/26/06/81/434260681.db2.gz FMZXFACENOIUCP-JTQLQIEISA-N 1 0 303.187 3.425 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000379651957 434260714 /nfs/dbraw/zinc/26/07/14/434260714.db2.gz VMYSWFLREZQJLO-ZWKOTPCHSA-N 1 0 304.503 3.384 10 0 DGAERO CN(C)C(C)(C)C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000379872014 434264671 /nfs/dbraw/zinc/26/46/71/434264671.db2.gz QAEIKRBWPSKQDG-SNVBAGLBSA-N 1 0 317.296 3.428 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000437445663 434264778 /nfs/dbraw/zinc/26/47/78/434264778.db2.gz GUDZQRRGIDCMAG-XIRDDKMYSA-N 1 0 304.409 3.062 10 0 DGAERO Brc1ccc(C[NH2+]CCOCC2CCC2)s1 ZINC000381438822 434271154 /nfs/dbraw/zinc/27/11/54/434271154.db2.gz YQTFQWRRLSGEGR-UHFFFAOYSA-N 1 0 304.253 3.417 10 0 DGAERO CCC[N@H+](C)CC(=O)N1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000437492648 434272610 /nfs/dbraw/zinc/27/26/10/434272610.db2.gz RNVDUMOHFMLGSP-GOEBONIOSA-N 1 0 306.450 3.483 10 0 DGAERO c1cncc(CNCCC[NH2+][C@@H](c2cccnc2)C2CCC2)c1 ZINC000423187143 434273626 /nfs/dbraw/zinc/27/36/26/434273626.db2.gz LYCNGBFMTYXFOR-LJQANCHMSA-N 1 0 310.445 3.087 10 0 DGAERO Cc1cccnc1CC[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000295137488 434224742 /nfs/dbraw/zinc/22/47/42/434224742.db2.gz ZIDYCHNNZCRTGH-HKUYNNGSSA-N 1 0 309.457 3.185 10 0 DGAERO CC1(C)[C@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000364077221 434226819 /nfs/dbraw/zinc/22/68/19/434226819.db2.gz YDZNWLZDLBWKLS-YOHUBWIESA-N 1 0 301.430 3.137 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450501510 434228465 /nfs/dbraw/zinc/22/84/65/434228465.db2.gz QBCUVCKDFJBPAI-QINHECLXSA-N 1 0 313.441 3.420 10 0 DGAERO c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCNCc1cccnc1 ZINC000423190862 434275863 /nfs/dbraw/zinc/27/58/63/434275863.db2.gz RVGZZTRVSUXZPE-SFHVURJKSA-N 1 0 311.429 3.065 10 0 DGAERO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000383338542 434283743 /nfs/dbraw/zinc/28/37/43/434283743.db2.gz PXZZKVFNTDLICJ-OKYOBFRVSA-N 1 0 312.457 3.013 10 0 DGAERO C[C@H]([N@H+](C)CCOc1c(Cl)cccc1Cl)C(C)(C)O ZINC000382780041 434284931 /nfs/dbraw/zinc/28/49/31/434284931.db2.gz FBJRLHINENIENL-JTQLQIEISA-N 1 0 306.233 3.463 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000383565740 434286482 /nfs/dbraw/zinc/28/64/82/434286482.db2.gz AZYORYJUHJABAO-PWSUYJOCSA-N 1 0 300.244 3.241 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000383813198 434286830 /nfs/dbraw/zinc/28/68/30/434286830.db2.gz QAIMCAFWDYPKHZ-IQJOONFLSA-N 1 0 316.264 3.391 10 0 DGAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000383565742 434287184 /nfs/dbraw/zinc/28/71/84/434287184.db2.gz AZYORYJUHJABAO-ZYHUDNBSSA-N 1 0 300.244 3.241 10 0 DGAERO c1ccc(OC2CC2)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000450605287 434289495 /nfs/dbraw/zinc/28/94/95/434289495.db2.gz ZDHIINHAFAYCRC-RDJZCZTQSA-N 1 0 301.430 3.476 10 0 DGAERO C[C@@H](O)CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000450606024 434292890 /nfs/dbraw/zinc/29/28/90/434292890.db2.gz BWOUUDLGIREVHJ-MRXNPFEDSA-N 1 0 322.452 3.145 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000384225484 434292958 /nfs/dbraw/zinc/29/29/58/434292958.db2.gz FZQDYYFPHAGQOY-JQWIXIFHSA-N 1 0 315.244 3.340 10 0 DGAERO c1c(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)[nH]nc1-c1ccccc1 ZINC000516866993 294635845 /nfs/dbraw/zinc/63/58/45/294635845.db2.gz CYYKKNIQXGUMER-PKOBYXMFSA-N 1 0 310.445 3.183 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cs1 ZINC000385816905 434302182 /nfs/dbraw/zinc/30/21/82/434302182.db2.gz QZQZDXGPONJBLF-CABZTGNLSA-N 1 0 304.253 3.103 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cs1 ZINC000385816902 434303010 /nfs/dbraw/zinc/30/30/10/434303010.db2.gz QZQZDXGPONJBLF-BXKDBHETSA-N 1 0 304.253 3.103 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000385862569 434303568 /nfs/dbraw/zinc/30/35/68/434303568.db2.gz ZWDYBMSYMYYXQM-SMDDNHRTSA-N 1 0 308.472 3.464 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Br)s1 ZINC000385809955 434305170 /nfs/dbraw/zinc/30/51/70/434305170.db2.gz QBKXQMSSZAHJAE-ONGXEEELSA-N 1 0 304.253 3.103 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000450658579 434318556 /nfs/dbraw/zinc/31/85/56/434318556.db2.gz DKZAXWNVNOLUJV-UHLUBPPHSA-N 1 0 308.180 3.123 10 0 DGAERO C[C@@H]1CN([C@@H]2CCc3c2cccc3Br)C[C@@]1(C)C[NH3+] ZINC000388297440 434332667 /nfs/dbraw/zinc/33/26/67/434332667.db2.gz ZHPAXPYRQBHXIU-HFBAOOFYSA-N 1 0 323.278 3.353 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000390532417 434362186 /nfs/dbraw/zinc/36/21/86/434362186.db2.gz IYLHTWOSYUCLJN-CHWSQXEVSA-N 1 0 300.265 3.475 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000450722445 434368078 /nfs/dbraw/zinc/36/80/78/434368078.db2.gz BSLOPYRVTINUKC-PIGZYNQJSA-N 1 0 318.442 3.109 10 0 DGAERO c1ccc2c(c1)COC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000417370449 434370567 /nfs/dbraw/zinc/37/05/67/434370567.db2.gz UHJZYSSPVCCNOQ-ISARSNTHSA-N 1 0 301.430 3.443 10 0 DGAERO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC[C@@H](C)O ZINC000450751705 434387978 /nfs/dbraw/zinc/38/79/78/434387978.db2.gz BRGPBZWZZDETJV-OCCSQVGLSA-N 1 0 314.267 3.473 10 0 DGAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393323158 434392020 /nfs/dbraw/zinc/39/20/20/434392020.db2.gz QUKDLBCFVZOYRD-KOLCDFICSA-N 1 0 300.244 3.097 10 0 DGAERO CO[C@@H]1CN(Cc2ccsc2Br)CC[C@@H]1C ZINC000388987891 434340222 /nfs/dbraw/zinc/34/02/22/434340222.db2.gz XJVGGULYUKSRJJ-GXSJLCMTSA-N 1 0 304.253 3.367 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000389844647 434353749 /nfs/dbraw/zinc/35/37/49/434353749.db2.gz PYZDJVQDCOZNLH-PRHODGIISA-N 1 0 302.205 3.113 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000358164157 434360224 /nfs/dbraw/zinc/36/02/24/434360224.db2.gz NFFGEAJISQBWME-UHFFFAOYSA-N 1 0 310.445 3.127 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)COc1ccc(Cl)cc1Cl ZINC000397743960 434442932 /nfs/dbraw/zinc/44/29/32/434442932.db2.gz IJMGLABKWUVSCX-LFSVMHDDSA-N 1 0 316.228 3.121 10 0 DGAERO c1nnc(C[NH2+]CCCCOc2ccccc2)n1-c1ccccc1 ZINC000438084481 434399970 /nfs/dbraw/zinc/39/99/70/434399970.db2.gz ZAQJYNOXWNZGAT-UHFFFAOYSA-N 1 0 322.412 3.216 10 0 DGAERO [NH3+]CC[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(F)F ZINC000394816409 434407666 /nfs/dbraw/zinc/40/76/66/434407666.db2.gz RJFMNAVTXQBCSU-ZETCQYMHSA-N 1 0 303.662 3.148 10 0 DGAERO CO[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000394967212 434410169 /nfs/dbraw/zinc/41/01/69/434410169.db2.gz MCLXXPLGCRXFHM-MNOVXSKESA-N 1 0 302.187 3.245 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)COc1cc(Cl)ccc1Cl ZINC000397790214 434441096 /nfs/dbraw/zinc/44/10/96/434441096.db2.gz SGVIYJYDXJQSPB-LFSVMHDDSA-N 1 0 316.228 3.121 10 0 DGAERO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC12CCC2 ZINC000438344021 434461762 /nfs/dbraw/zinc/46/17/62/434461762.db2.gz FAWMFWJELYRGNB-INIZCTEOSA-N 1 0 305.466 3.122 10 0 DGAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Br)c3)C[C@@H]2C1 ZINC000398753762 434464097 /nfs/dbraw/zinc/46/40/97/434464097.db2.gz XHLXJVCSXDXNKV-KCQAQPDRSA-N 1 0 310.235 3.042 10 0 DGAERO Cc1cc[nH]c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000366635856 434471063 /nfs/dbraw/zinc/47/10/63/434471063.db2.gz RHRNQBLZFJJQCJ-BBRMVZONSA-N 1 0 317.458 3.198 10 0 DGAERO Cc1scc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1C ZINC000399956196 434482185 /nfs/dbraw/zinc/48/21/85/434482185.db2.gz VESMNFHWYGHXJJ-UHFFFAOYSA-N 1 0 306.397 3.481 10 0 DGAERO CC(=O)N(c1nc(C[NH2+]CCCC(C)(F)F)cs1)C1CC1 ZINC000296023755 434484120 /nfs/dbraw/zinc/48/41/20/434484120.db2.gz MQEBRGVUIGEEOD-UHFFFAOYSA-N 1 0 317.405 3.183 10 0 DGAERO Cc1ccncc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400349289 434486010 /nfs/dbraw/zinc/48/60/10/434486010.db2.gz JGVYDEXDWMSRIN-HUUCEWRRSA-N 1 0 319.449 3.125 10 0 DGAERO CCN(C(C)=O)c1nc(C[NH2+]CCCC(C)(F)F)cs1 ZINC000296040250 434487945 /nfs/dbraw/zinc/48/79/45/434487945.db2.gz NVTLFYBFVILJJE-UHFFFAOYSA-N 1 0 305.394 3.041 10 0 DGAERO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000438480736 434488957 /nfs/dbraw/zinc/48/89/57/434488957.db2.gz WBWFCQBNDFBRAZ-CQSZACIVSA-N 1 0 312.339 3.334 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(C)C)C1 ZINC000438494872 434493713 /nfs/dbraw/zinc/49/37/13/434493713.db2.gz XLQQGQPWAOCCAQ-ZFWWWQNUSA-N 1 0 302.418 3.194 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(C)C)C2)c1 ZINC000438493074 434495260 /nfs/dbraw/zinc/49/52/60/434495260.db2.gz QBZXZWZGMHNCOA-BBRMVZONSA-N 1 0 302.418 3.194 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(C)C)C2)cc1 ZINC000438505969 434498723 /nfs/dbraw/zinc/49/87/23/434498723.db2.gz RGHDTSVKOQGUHV-CJNGLKHVSA-N 1 0 302.418 3.194 10 0 DGAERO c1ccc(CC[C@H]2C[N@H+](CC[C@H]3CCCCO3)CCO2)cc1 ZINC000348803568 434500223 /nfs/dbraw/zinc/50/02/23/434500223.db2.gz BWPFENRRCKICKS-MOPGFXCFSA-N 1 0 303.446 3.279 10 0 DGAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000423648156 434503375 /nfs/dbraw/zinc/50/33/75/434503375.db2.gz RJFBRLDUQCCSNL-LDYMZIIASA-N 1 0 319.257 3.034 10 0 DGAERO CC(C)(C)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398058784 434452383 /nfs/dbraw/zinc/45/23/83/434452383.db2.gz JDDANFHHUVXXLF-SFHVURJKSA-N 1 0 303.450 3.139 10 0 DGAERO C[C@@]1(CNC(=O)NC2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398105634 434454111 /nfs/dbraw/zinc/45/41/11/434454111.db2.gz OWCLCAYYYZVPBX-IBGZPJMESA-N 1 0 315.461 3.283 10 0 DGAERO C[C@H]1C[C@@H](Nc2ccnc3cccnc32)C[N@@H+]1Cc1ccccc1 ZINC000398093207 434455051 /nfs/dbraw/zinc/45/50/51/434455051.db2.gz WSGXDGZKWFDYRW-DOTOQJQBSA-N 1 0 318.424 3.127 10 0 DGAERO CCc1ccc([C@@H](CNC(=O)NCCCC2CC2)[NH+](C)C)cc1 ZINC000522990331 294933932 /nfs/dbraw/zinc/93/39/32/294933932.db2.gz VRAMVFULQGZUCZ-GOSISDBHSA-N 1 0 317.477 3.341 10 0 DGAERO c1c([C@H]2CCC[NH2+]C2)nnn1C1c2ccccc2-c2ccccc21 ZINC000404822300 434522744 /nfs/dbraw/zinc/52/27/44/434522744.db2.gz DWKFLNPVOIAXFI-AWEZNQCLSA-N 1 0 316.408 3.363 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000523472428 294948463 /nfs/dbraw/zinc/94/84/63/294948463.db2.gz QYXNEYJFNULTCH-KRWDZBQOSA-N 1 0 317.477 3.082 10 0 DGAERO COc1ccc([C@@H]2CCCN2Cc2ccnc(C)n2)c(OC)c1 ZINC000366880015 434528644 /nfs/dbraw/zinc/52/86/44/434528644.db2.gz OYIGKSJPXMHVRC-KRWDZBQOSA-N 1 0 313.401 3.139 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1Br ZINC000407252997 434529171 /nfs/dbraw/zinc/52/91/71/434529171.db2.gz GJECDHMBFPNZQN-KBPBESRZSA-N 1 0 323.234 3.227 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCCC[NH+]2CCCC2)cc1Cl ZINC000341071647 434531031 /nfs/dbraw/zinc/53/10/31/434531031.db2.gz NFXQKZHWFWFOHQ-UHFFFAOYSA-N 1 0 323.824 3.150 10 0 DGAERO CC(=O)c1ccc(NC(=O)N(C)CC[NH+]2CCCC2)cc1Cl ZINC000341078508 434534180 /nfs/dbraw/zinc/53/41/80/434534180.db2.gz PAYQKDBJNREEAQ-UHFFFAOYSA-N 1 0 323.824 3.102 10 0 DGAERO CC[NH+]1CCC(N(C)C(=O)CC/C=C/c2ccccc2)CC1 ZINC000524112285 294968086 /nfs/dbraw/zinc/96/80/86/294968086.db2.gz SUBRIMFMTDZOMD-YRNVUSSQSA-N 1 0 300.446 3.423 10 0 DGAERO COc1cc(C)ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171530879 294969167 /nfs/dbraw/zinc/96/91/67/294969167.db2.gz OMSQXZSQWPIQCR-OAHLLOKOSA-N 1 0 317.433 3.096 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1Cl ZINC000408206614 434552525 /nfs/dbraw/zinc/55/25/25/434552525.db2.gz BWGCBLSOUCMKKK-MNOVXSKESA-N 1 0 323.824 3.099 10 0 DGAERO Cn1cncc1CC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000459373064 434567731 /nfs/dbraw/zinc/56/77/31/434567731.db2.gz MFIUPUHANUDNKS-UHFFFAOYSA-N 1 0 301.821 3.405 10 0 DGAERO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114493698 295099360 /nfs/dbraw/zinc/09/93/60/295099360.db2.gz VMKJZGBHEBXUIG-AEFFLSMTSA-N 1 0 302.393 3.174 10 0 DGAERO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527691759 295116226 /nfs/dbraw/zinc/11/62/26/295116226.db2.gz NVNQTPMJXLVDNS-SDBXPKJASA-N 1 0 320.177 3.384 10 0 DGAERO Brc1cnc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000527732566 295122051 /nfs/dbraw/zinc/12/20/51/295122051.db2.gz AVIWHTJSYLNDCN-BBBLOLIVSA-N 1 0 301.253 3.431 10 0 DGAERO COc1cc(C[NH2+]CC2CC=CC2)cc(Br)c1O ZINC000527750556 295125461 /nfs/dbraw/zinc/12/54/61/295125461.db2.gz NFGBPCOHEZFFMZ-UHFFFAOYSA-N 1 0 312.207 3.219 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000527800728 295132352 /nfs/dbraw/zinc/13/23/52/295132352.db2.gz DUAOFOXVMGBOEZ-UOKLYIGXSA-N 1 0 304.253 3.412 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000527800975 295132413 /nfs/dbraw/zinc/13/24/13/295132413.db2.gz GHJZLKBTOAIFIA-JXVAYASWSA-N 1 0 304.253 3.412 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000527800727 295132748 /nfs/dbraw/zinc/13/27/48/295132748.db2.gz DUAOFOXVMGBOEZ-SREGZZRCSA-N 1 0 304.253 3.412 10 0 DGAERO Brc1ccnc(NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528207436 295186793 /nfs/dbraw/zinc/18/67/93/295186793.db2.gz GWJIGLUHBDYLSH-CYBMUJFWSA-N 1 0 310.239 3.273 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(OC)c1 ZINC000248767384 295238020 /nfs/dbraw/zinc/23/80/20/295238020.db2.gz XJSGYYUEJYIFBC-HZZDSMARSA-N 1 0 317.429 3.312 10 0 DGAERO C=Cn1cc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)cn1 ZINC000418094862 434586445 /nfs/dbraw/zinc/58/64/45/434586445.db2.gz KYHSCRXXMQOBEW-INIZCTEOSA-N 1 0 303.356 3.469 10 0 DGAERO Brc1cccc(-c2c[nH]c(C[NH2+][C@H]3CC34CC4)n2)c1 ZINC000424185598 434648969 /nfs/dbraw/zinc/64/89/69/434648969.db2.gz PZHLNNNZNLURLI-ZDUSSCGKSA-N 1 0 318.218 3.481 10 0 DGAERO Cc1ncc(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)o1 ZINC000459669565 434656423 /nfs/dbraw/zinc/65/64/23/434656423.db2.gz DMPLUWNVXNUYLZ-GFCCVEGCSA-N 1 0 321.218 3.393 10 0 DGAERO CN(CC1CC1)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459680011 434663079 /nfs/dbraw/zinc/66/30/79/434663079.db2.gz UJUVKTUAGLMXFV-ROUUACIJSA-N 1 0 300.446 3.123 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2sccc2Br)CC1 ZINC000360710978 434676577 /nfs/dbraw/zinc/67/65/77/434676577.db2.gz CUDKUZSXZLLNHH-UHFFFAOYSA-N 1 0 315.280 3.252 10 0 DGAERO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]([C@@H]3CCOC3)C1)OCCO2 ZINC000360966242 434746812 /nfs/dbraw/zinc/74/68/12/434746812.db2.gz MSCWKMNJPVVPJL-BRWVUGGUSA-N 1 0 317.429 3.143 10 0 DGAERO COc1ccc(F)cc1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000360973538 434750939 /nfs/dbraw/zinc/75/09/39/434750939.db2.gz KGNJSDVKGFNQDR-HNNXBMFYSA-N 1 0 317.360 3.154 10 0 DGAERO COC[C@@H](O)C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000360985065 434753824 /nfs/dbraw/zinc/75/38/24/434753824.db2.gz OOPDKLIXHWRYOX-ZDUSSCGKSA-N 1 0 316.228 3.090 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCCn2cccn2)cc1 ZINC000360987550 434754100 /nfs/dbraw/zinc/75/41/00/434754100.db2.gz QVLROLBYUCDOIL-UHFFFAOYSA-N 1 0 315.417 3.018 10 0 DGAERO CC(=Cc1ccccc1Cl)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000371446470 434704762 /nfs/dbraw/zinc/70/47/62/434704762.db2.gz DOJDESDOJPSMEK-RUNBWSAHSA-N 1 0 315.804 3.140 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000459771391 434713740 /nfs/dbraw/zinc/71/37/40/434713740.db2.gz NKJAJDSYCJLPDZ-CYBMUJFWSA-N 1 0 323.433 3.113 10 0 DGAERO COC(=O)[C@@H]1CCCN(c2cc(C)nc3c(F)cccc23)C1 ZINC000360873241 434716343 /nfs/dbraw/zinc/71/63/43/434716343.db2.gz PHGPSUULPQANIS-GFCCVEGCSA-N 1 0 302.349 3.072 10 0 DGAERO O=C1C[C@H](c2ccccc2)[N@H+](CCCc2ccsc2)CCN1 ZINC000360919003 434730862 /nfs/dbraw/zinc/73/08/62/434730862.db2.gz NJVGEUWVXHJAEP-QGZVFWFLSA-N 1 0 314.454 3.244 10 0 DGAERO CCCOc1ccc(Br)cc1C[N@H+](C)CCCO ZINC000440967826 434759438 /nfs/dbraw/zinc/75/94/38/434759438.db2.gz XOAWHPIOXZAXBU-UHFFFAOYSA-N 1 0 316.239 3.052 10 0 DGAERO Cc1ccc(-n2cc(C[N@H+](C)CCCO)c(C(C)(C)C)n2)cc1 ZINC000442959903 434772477 /nfs/dbraw/zinc/77/24/77/434772477.db2.gz AIVXINCDDDUIRQ-UHFFFAOYSA-N 1 0 315.461 3.292 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000177145485 297281345 /nfs/dbraw/zinc/28/13/45/297281345.db2.gz SZGHTPGDXCKPBX-AKCHCHLHSA-N 1 0 312.457 3.022 10 0 DGAERO c1ncc(CC[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)s1 ZINC000411555509 434801234 /nfs/dbraw/zinc/80/12/34/434801234.db2.gz HBXUNSQEGYDSHF-KRWDZBQOSA-N 1 0 300.427 3.207 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2oc3ccccc3c2C)CCOCC1 ZINC000453109913 434803207 /nfs/dbraw/zinc/80/32/07/434803207.db2.gz BLTOBZCWOJETKL-CQSZACIVSA-N 1 0 303.402 3.415 10 0 DGAERO c1ccc(-c2noc(CC[NH2+][C@H](c3cccnc3)C3CC3)n2)cc1 ZINC000411507711 434791870 /nfs/dbraw/zinc/79/18/70/434791870.db2.gz SKFQOBCWMXMIRJ-SFHVURJKSA-N 1 0 320.396 3.415 10 0 DGAERO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)C2(OC)CCOCC2)cc1 ZINC000453114091 434804836 /nfs/dbraw/zinc/80/48/36/434804836.db2.gz GCXBALPDLAUDHO-HOTGVXAUSA-N 1 0 321.461 3.363 10 0 DGAERO COC1([C@H](C)[NH2+]CC2(Sc3ccccc3)CC2)CCOCC1 ZINC000453123546 434807327 /nfs/dbraw/zinc/80/73/27/434807327.db2.gz ZCXLDPCNCKYUHB-HNNXBMFYSA-N 1 0 321.486 3.485 10 0 DGAERO COC1([C@H](C)[NH2+]CC(C)(C)Cc2ccccc2)CCOCC1 ZINC000453145032 434816074 /nfs/dbraw/zinc/81/60/74/434816074.db2.gz NCVBNEQKHLPVLM-INIZCTEOSA-N 1 0 305.462 3.429 10 0 DGAERO CCOc1cccc(CC[NH2+][C@@H](Cn2cccn2)C(C)C)c1 ZINC000453156944 434819354 /nfs/dbraw/zinc/81/93/54/434819354.db2.gz FEEZKQHXPPZIGX-SFHVURJKSA-N 1 0 301.434 3.139 10 0 DGAERO COCCC1(C[NH2+][C@@H](C)C2(OC)CCOCC2)CCCCC1 ZINC000453203155 434827291 /nfs/dbraw/zinc/82/72/91/434827291.db2.gz QACYSTXFZVFLTD-INIZCTEOSA-N 1 0 313.482 3.147 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc3n[nH]cc3c1)CC2 ZINC000372437978 434828265 /nfs/dbraw/zinc/82/82/65/434828265.db2.gz DWYCPXOIHVHOKV-NSHDSACASA-N 1 0 323.400 3.153 10 0 DGAERO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000491852330 434870326 /nfs/dbraw/zinc/87/03/26/434870326.db2.gz ODLCSXQEFQUJGA-MNEFBYGVSA-N 1 0 324.424 3.158 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000552891649 434872942 /nfs/dbraw/zinc/87/29/42/434872942.db2.gz GCFCCKYICACCMI-YOEHRIQHSA-N 1 0 324.896 3.426 10 0 DGAERO c1cnc(N[C@H]2CC[N@@H+](Cc3cccc4ccccc43)C2)nc1 ZINC000573093932 434873385 /nfs/dbraw/zinc/87/33/85/434873385.db2.gz VQVSNLGQIYDETK-KRWDZBQOSA-N 1 0 304.397 3.316 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000461209505 434874180 /nfs/dbraw/zinc/87/41/80/434874180.db2.gz BCBVUTXTPFULFU-UHFFFAOYSA-N 1 0 314.473 3.417 10 0 DGAERO c1cnc(N[C@@H]2CC[N@@H+](Cc3cccc4ccccc43)C2)nc1 ZINC000573093939 434874726 /nfs/dbraw/zinc/87/47/26/434874726.db2.gz VQVSNLGQIYDETK-QGZVFWFLSA-N 1 0 304.397 3.316 10 0 DGAERO COc1cccc2c1CC[N@H+](C[C@H](OC)c1ccccc1)CC2 ZINC000555004486 434956760 /nfs/dbraw/zinc/95/67/60/434956760.db2.gz HEZKSVUEIPCBCA-FQEVSTJZSA-N 1 0 311.425 3.484 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000522344470 434923114 /nfs/dbraw/zinc/92/31/14/434923114.db2.gz BHRRUXBXCOQXKE-QZTJIDSGSA-N 1 0 315.461 3.233 10 0 DGAERO CC(C)[C@@H](CO)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000554377383 434924870 /nfs/dbraw/zinc/92/48/70/434924870.db2.gz NQKLCARDOYKLFM-RHSMWYFYSA-N 1 0 321.852 3.017 10 0 DGAERO CC(C)[NH+](CCNC(=O)N1CCC2(C1)CCCCC2)C(C)C ZINC000465459176 435029491 /nfs/dbraw/zinc/02/94/91/435029491.db2.gz OYNRXOHJXFVTCA-UHFFFAOYSA-N 1 0 309.498 3.471 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)N1CCC12CCC2)c1ccc(Cl)cc1 ZINC000531201080 435077647 /nfs/dbraw/zinc/07/76/47/435077647.db2.gz VDIWKSGCJHYZGZ-OAHLLOKOSA-N 1 0 321.852 3.281 10 0 DGAERO Cc1cc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2C)on1 ZINC000556920126 435038829 /nfs/dbraw/zinc/03/88/29/435038829.db2.gz KICWBDBJKKWSBR-AWEZNQCLSA-N 1 0 315.417 3.149 10 0 DGAERO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000557102027 435045108 /nfs/dbraw/zinc/04/51/08/435045108.db2.gz VXTBZRXOGDVFME-OAHLLOKOSA-N 1 0 315.461 3.091 10 0 DGAERO Cc1cc(CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)no1 ZINC000560126790 435149146 /nfs/dbraw/zinc/14/91/46/435149146.db2.gz HUKHBAUBECBYOY-OAHLLOKOSA-N 1 0 313.445 3.168 10 0 DGAERO CCCCn1ncc(NC(=O)N(C)CCC[NH+](C)C)c1C(C)C ZINC000558885174 435115541 /nfs/dbraw/zinc/11/55/41/435115541.db2.gz UICDHZYPXCNMQA-UHFFFAOYSA-N 1 0 323.485 3.222 10 0 DGAERO CC[C@@H](O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000559234249 435124921 /nfs/dbraw/zinc/12/49/21/435124921.db2.gz KPQJLERNXGGTAW-QGZVFWFLSA-N 1 0 301.455 3.488 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000471824814 435138833 /nfs/dbraw/zinc/13/88/33/435138833.db2.gz UPGZMWXNUKBWGH-XGXHKWSGSA-N 1 0 302.462 3.054 10 0 DGAERO CC(=O)c1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C ZINC000579371605 435150598 /nfs/dbraw/zinc/15/05/98/435150598.db2.gz SFAWYBAAMYJWQI-BBRMVZONSA-N 1 0 317.433 3.144 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]CC3=CCCOC3)CC23CC3)cc1 ZINC000579836373 435186125 /nfs/dbraw/zinc/18/61/25/435186125.db2.gz HRCLSTIGQRNPHD-LJQANCHMSA-N 1 0 312.457 3.120 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 ZINC000474661508 435155345 /nfs/dbraw/zinc/15/53/45/435155345.db2.gz YBQRBPWPZZKNPC-RDTXWAMCSA-N 1 0 318.417 3.397 10 0 DGAERO COc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000532582595 435179807 /nfs/dbraw/zinc/17/98/07/435179807.db2.gz LKYDVJZYAKEPQZ-UHFFFAOYSA-N 1 0 302.418 3.290 10 0 DGAERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000532648475 435181924 /nfs/dbraw/zinc/18/19/24/435181924.db2.gz WWHGJYKMQRUXJC-MRXNPFEDSA-N 1 0 304.434 3.068 10 0 DGAERO COC(=O)[C@](C)(C[NH2+][C@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000580349555 435225422 /nfs/dbraw/zinc/22/54/22/435225422.db2.gz JOASERXXTHFPOI-ZIFCJYIRSA-N 1 0 301.430 3.286 10 0 DGAERO C(C[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1)[C@@H]1CCOC1 ZINC000561972054 435243061 /nfs/dbraw/zinc/24/30/61/435243061.db2.gz ZYBFIEGRPRKMSX-HIFRSBDPSA-N 1 0 305.422 3.291 10 0 DGAERO C[C@H]([NH2+]C1CC(F)(F)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496759820 435250122 /nfs/dbraw/zinc/25/01/22/435250122.db2.gz RCOXZJGWTCUQQL-QWRGUYRKSA-N 1 0 304.381 3.019 10 0 DGAERO C1CCC([N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)C1 ZINC000583621776 435244108 /nfs/dbraw/zinc/24/41/08/435244108.db2.gz MYUGSZDUWMHGJP-OAHLLOKOSA-N 1 0 305.422 3.433 10 0 DGAERO C[C@](CO)([NH2+]Cc1ccn(C2CCCC2)n1)C1CCCCC1 ZINC000477291248 435264842 /nfs/dbraw/zinc/26/48/42/435264842.db2.gz LBKRTHFTFUVJPF-GOSISDBHSA-N 1 0 305.466 3.419 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000534912684 435305552 /nfs/dbraw/zinc/30/55/52/435305552.db2.gz IQYVINPILNUQMO-MOPGFXCFSA-N 1 0 314.473 3.188 10 0 DGAERO O=C(C[NH2+]C/C=C\c1ccc(F)c(F)c1)NC1CCCCC1 ZINC000512020848 435339824 /nfs/dbraw/zinc/33/98/24/435339824.db2.gz AHSXNAUAZPVTNY-PLNGDYQASA-N 1 0 308.372 3.017 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)ccn1 ZINC000535668539 435340735 /nfs/dbraw/zinc/34/07/35/435340735.db2.gz ORPNLPXCLRSVAX-CQSZACIVSA-N 1 0 320.433 3.034 10 0 DGAERO CCC[C@@H]([NH2+]Cc1ccc(OCCOC)nc1)c1ccccn1 ZINC000535041488 435313384 /nfs/dbraw/zinc/31/33/84/435313384.db2.gz SUXSMILBZYBGJJ-MRXNPFEDSA-N 1 0 315.417 3.133 10 0 DGAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2cc[nH]n2)oc1C ZINC000643926389 435384737 /nfs/dbraw/zinc/38/47/37/435384737.db2.gz DZDIYKFLYPYBOJ-HACGYAERSA-N 1 0 303.406 3.438 10 0 DGAERO C[N@H+](CC1CC1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000480685376 435391702 /nfs/dbraw/zinc/39/17/02/435391702.db2.gz QUYODFPVPCXVHW-AWEZNQCLSA-N 1 0 313.228 3.441 10 0 DGAERO C[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC1CC1 ZINC000537864121 435470393 /nfs/dbraw/zinc/47/03/93/435470393.db2.gz NDEHSETTXABWDP-UHFFFAOYSA-N 1 0 316.474 3.037 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000481585279 435434425 /nfs/dbraw/zinc/43/44/25/435434425.db2.gz MQOHQRGQKTUUOF-DJIMGWMZSA-N 1 0 304.409 3.062 10 0 DGAERO COC[C@@H]([NH2+]CCc1ccccc1Br)C(C)C ZINC000481711126 435439033 /nfs/dbraw/zinc/43/90/33/435439033.db2.gz DKMAVPNMNKQZPW-CQSZACIVSA-N 1 0 300.240 3.252 10 0 DGAERO CC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)ccc1C ZINC000569119345 435506542 /nfs/dbraw/zinc/50/65/42/435506542.db2.gz WNBJPDGMTUDEGT-JQFCIGGWSA-N 1 0 300.402 3.057 10 0 DGAERO CC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)ccc1C ZINC000569119347 435506974 /nfs/dbraw/zinc/50/69/74/435506974.db2.gz WNBJPDGMTUDEGT-XKQJLSEDSA-N 1 0 300.402 3.057 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000538751644 435520169 /nfs/dbraw/zinc/52/01/69/435520169.db2.gz FTASYBXLJGQNBA-AEFFLSMTSA-N 1 0 301.430 3.334 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000483619367 435524102 /nfs/dbraw/zinc/52/41/02/435524102.db2.gz FRMMVUMUSRLFOF-AWEZNQCLSA-N 1 0 303.377 3.473 10 0 DGAERO Cc1ncccc1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000538826970 435525324 /nfs/dbraw/zinc/52/53/24/435525324.db2.gz CLDDOGVCNSXEBH-HNNXBMFYSA-N 1 0 304.434 3.334 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000538204230 435484524 /nfs/dbraw/zinc/48/45/24/435484524.db2.gz CEOLZJOABUWGPU-SECBINFHSA-N 1 0 317.767 3.082 10 0 DGAERO COc1cc(Cl)c(Cl)cc1C(=O)N(C)CCC[NH+](C)C ZINC000538315011 435492266 /nfs/dbraw/zinc/49/22/66/435492266.db2.gz CABBCGCZUSMBLN-UHFFFAOYSA-N 1 0 319.232 3.026 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]Cc3cccnc3)CC23CC3)cc1 ZINC000569603982 435546904 /nfs/dbraw/zinc/54/69/04/435546904.db2.gz HBFJMZARLCCRIZ-LJQANCHMSA-N 1 0 307.441 3.368 10 0 DGAERO c1ccc(-c2nc([C@H]3CCCO3)no2)c(CC2CC[NH2+]CC2)c1 ZINC000570061018 435586467 /nfs/dbraw/zinc/58/64/67/435586467.db2.gz GPZLPHPTRNNNHH-MRXNPFEDSA-N 1 0 313.401 3.130 10 0 DGAERO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1C[C@H]1C ZINC000540118615 435587854 /nfs/dbraw/zinc/58/78/54/435587854.db2.gz PIRRWDHDBWUIMM-UMVBOHGHSA-N 1 0 308.853 3.323 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc3c(s2)CCCC3)C1 ZINC000540156100 435591294 /nfs/dbraw/zinc/59/12/94/435591294.db2.gz FWTQDWVPAPJZEG-TZMCWYRMSA-N 1 0 321.490 3.081 10 0 DGAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCC2CC2)c1 ZINC000539073323 435537941 /nfs/dbraw/zinc/53/79/41/435537941.db2.gz PPNVVMUACDZDIO-ZDUSSCGKSA-N 1 0 320.433 3.201 10 0 DGAERO C[C@H](Cc1cccs1)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037291813 298919804 /nfs/dbraw/zinc/91/98/04/298919804.db2.gz XXQSUPHLMDZLGH-IUODEOHRSA-N 1 0 300.427 3.377 10 0 DGAERO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000486796851 435614907 /nfs/dbraw/zinc/61/49/07/435614907.db2.gz VGNGFFMGVDLYED-ZFWWWQNUSA-N 1 0 318.417 3.254 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@H](COC)c1ccc(F)cc1 ZINC000548195099 435679399 /nfs/dbraw/zinc/67/93/99/435679399.db2.gz PHZLCAFFMIGJBE-RBUKOAKNSA-N 1 0 317.404 3.361 10 0 DGAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1ccc(S(C)(=O)=O)cc1 ZINC000655701021 435738104 /nfs/dbraw/zinc/73/81/04/435738104.db2.gz OWJQTYKNUOMXHI-DYEKYZERSA-N 1 0 313.488 3.025 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000491490775 435760328 /nfs/dbraw/zinc/76/03/28/435760328.db2.gz OOKYWWYXEYKWGP-HOTGVXAUSA-N 1 0 307.482 3.083 10 0 DGAERO c1csc([C@H](Cc2ccncc2)[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000520795562 435773110 /nfs/dbraw/zinc/77/31/10/435773110.db2.gz JBLDQRNGKXOHPI-YOEHRIQHSA-N 1 0 324.453 3.297 10 0 DGAERO Brc1cnccc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656609561 435983725 /nfs/dbraw/zinc/98/37/25/435983725.db2.gz QGCGPLLZVKZRIY-CYBMUJFWSA-N 1 0 324.266 3.060 10 0 DGAERO Cc1ncc(C[NH2+][C@@H](C)c2cccc(Br)c2)n1C ZINC000657298930 436122380 /nfs/dbraw/zinc/12/23/80/436122380.db2.gz QIKWGEFYXXHQFC-JTQLQIEISA-N 1 0 308.223 3.342 10 0 DGAERO [NH3+]C1CCC(C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000647958504 436158496 /nfs/dbraw/zinc/15/84/96/436158496.db2.gz DEEZRZYPWSDDHN-UHFFFAOYSA-N 1 0 301.217 3.127 10 0 DGAERO CN1C[C@@H](C[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)CC1=O ZINC000657698279 436281852 /nfs/dbraw/zinc/28/18/52/436281852.db2.gz UHQACORVOSUAJN-MRVPVSSYSA-N 1 0 321.635 3.215 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000180851578 302136659 /nfs/dbraw/zinc/13/66/59/302136659.db2.gz DHQSQTQCLLWPDH-XLIONFOSSA-N 1 0 318.424 3.281 10 0 DGAERO Cc1ccccc1[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000175754659 302191841 /nfs/dbraw/zinc/19/18/41/302191841.db2.gz KOIIIDNJZZMUKM-RDJZCZTQSA-N 1 0 317.477 3.428 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000261789128 303425124 /nfs/dbraw/zinc/42/51/24/303425124.db2.gz QABPQJTVTVLMHQ-QZTJIDSGSA-N 1 0 300.446 3.190 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cc1NC(C)=O ZINC000168701257 312695978 /nfs/dbraw/zinc/69/59/78/312695978.db2.gz HGVMCKQOKOOJAV-RISCZKNCSA-N 1 0 308.447 3.200 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCc2ccccc2[C@H]1C ZINC000171711299 312728837 /nfs/dbraw/zinc/72/88/37/312728837.db2.gz NPOAYFSCEHDBOD-HUUCEWRRSA-N 1 0 303.450 3.046 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]CCCO[C@H]1CCOC1)C(C)C ZINC000178441242 312789992 /nfs/dbraw/zinc/78/99/92/312789992.db2.gz YTBATQYVXHQXSW-ZWKOTPCHSA-N 1 0 321.461 3.048 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179593056 312810374 /nfs/dbraw/zinc/81/03/74/312810374.db2.gz VQIWRLPJFQVHAL-LLVKDONJSA-N 1 0 314.376 3.243 10 0 DGAERO COCCSCCC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000377094697 313015944 /nfs/dbraw/zinc/01/59/44/313015944.db2.gz OWXAJBLUBQCCHD-DOTOQJQBSA-N 1 0 309.475 3.218 10 0 DGAERO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000377221705 313029714 /nfs/dbraw/zinc/02/97/14/313029714.db2.gz KCJRHKQVLWLGSL-DLBZAZTESA-N 1 0 319.836 3.334 10 0 DGAERO c1cc(CCC[NH2+]C[C@H]2CCN2C2CCCC2)cc2c1OCC2 ZINC000529669328 313251202 /nfs/dbraw/zinc/25/12/02/313251202.db2.gz LRWZAORZLISPLW-LJQANCHMSA-N 1 0 314.473 3.161 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)NCCCC1CC1)c1ccc(Cl)cc1 ZINC000530602241 313387901 /nfs/dbraw/zinc/38/79/01/313387901.db2.gz HOIXVGWXXNPQQZ-MRXNPFEDSA-N 1 0 323.868 3.432 10 0 DGAERO COc1cc2c(cc1C[NH2+]C1(CCO)CCCCC1)O[C@@H](C)C2 ZINC000531429855 313460122 /nfs/dbraw/zinc/46/01/22/313460122.db2.gz ARNWJOHMTQHEJL-AWEZNQCLSA-N 1 0 319.445 3.194 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3ccccc3)C1=O)CC2 ZINC000532538883 313559430 /nfs/dbraw/zinc/55/94/30/313559430.db2.gz VCZJFFYQRPFYHA-OALUTQOASA-N 1 0 306.409 3.377 10 0 DGAERO c1ccc([C@H]2C[C@H]2C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000537227984 313803438 /nfs/dbraw/zinc/80/34/38/313803438.db2.gz AVFKWNPBMLAAOS-PKOBYXMFSA-N 1 0 307.441 3.444 10 0 DGAERO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[C@@H]1C ZINC000537916968 313839228 /nfs/dbraw/zinc/83/92/28/313839228.db2.gz DPRJNAGTPRGNQZ-GZBFAFLISA-N 1 0 308.853 3.323 10 0 DGAERO CC(C)NC(=O)C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000537969368 313842486 /nfs/dbraw/zinc/84/24/86/313842486.db2.gz WMPSCXTXECYWHA-GOSISDBHSA-N 1 0 302.462 3.292 10 0 DGAERO Brc1ccc([C@H]([NH2+]CCN2CCC2)C2CC2)cc1 ZINC000540316022 313956003 /nfs/dbraw/zinc/95/60/03/313956003.db2.gz MIPDHGQMKQIHPX-OAHLLOKOSA-N 1 0 309.251 3.196 10 0 DGAERO C[C@@H]1CC([NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000540507127 313963631 /nfs/dbraw/zinc/96/36/31/313963631.db2.gz UBERLMHATFMMGN-VFVRVIDISA-N 1 0 317.408 3.194 10 0 DGAERO C[C@@H](Sc1ccccc1Cl)C(=O)N(C)CCC[NH+](C)C ZINC000540518023 313964502 /nfs/dbraw/zinc/96/45/02/313964502.db2.gz RIXQYZNCKFLXGD-GFCCVEGCSA-N 1 0 314.882 3.231 10 0 DGAERO Fc1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000540596058 313967633 /nfs/dbraw/zinc/96/76/33/313967633.db2.gz MMVLUUBPNPSFAO-BBWFWOEESA-N 1 0 305.393 3.142 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000541492272 314018278 /nfs/dbraw/zinc/01/82/78/314018278.db2.gz BKBCMCAOKYHGSW-AEFFLSMTSA-N 1 0 321.509 3.495 10 0 DGAERO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000541696406 314031941 /nfs/dbraw/zinc/03/19/41/314031941.db2.gz DSYJYYRUJZVCPQ-MAUKXSAKSA-N 1 0 302.462 3.062 10 0 DGAERO CC[C@@H](C)n1ncc(NC(=O)N(C)CCC[NH+](C)C)c1C1CC1 ZINC000542696000 314091773 /nfs/dbraw/zinc/09/17/73/314091773.db2.gz QNASYHUMTASRFB-CYBMUJFWSA-N 1 0 321.469 3.147 10 0 DGAERO C[C@H](NC(=O)NCCCC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542829875 314101817 /nfs/dbraw/zinc/10/18/17/314101817.db2.gz DLIAVHIKLPDAQY-HOCLYGCPSA-N 1 0 307.482 3.129 10 0 DGAERO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000543351686 314128556 /nfs/dbraw/zinc/12/85/56/314128556.db2.gz YKFVGCXPZDRYPP-ROUUACIJSA-N 1 0 321.509 3.496 10 0 DGAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000543351685 314128568 /nfs/dbraw/zinc/12/85/68/314128568.db2.gz YKFVGCXPZDRYPP-QZTJIDSGSA-N 1 0 321.509 3.496 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000543591174 314143320 /nfs/dbraw/zinc/14/33/20/314143320.db2.gz FIAWWZRULKGCQM-MXSMSXNCSA-N 1 0 321.486 3.326 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000544254913 314182512 /nfs/dbraw/zinc/18/25/12/314182512.db2.gz ZHEWHHHOEUIQGQ-CABCVRRESA-N 1 0 321.490 3.349 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000544384859 314189316 /nfs/dbraw/zinc/18/93/16/314189316.db2.gz FYSKFWXKISOCKR-RRFJBIMHSA-N 1 0 301.496 3.148 10 0 DGAERO C[C@H](c1noc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1)C1CC1 ZINC000545107405 314226677 /nfs/dbraw/zinc/22/66/77/314226677.db2.gz VLQZRDNPSHKPGB-BBRMVZONSA-N 1 0 312.417 3.358 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2cc(F)ccc2Cl)CC1 ZINC000545870811 314271117 /nfs/dbraw/zinc/27/11/17/314271117.db2.gz XUSJCNYDJPWQAK-UHFFFAOYSA-N 1 0 311.788 3.253 10 0 DGAERO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000545950358 314278424 /nfs/dbraw/zinc/27/84/24/314278424.db2.gz YEZKOAFREHZOTB-WBVHZDCISA-N 1 0 317.429 3.457 10 0 DGAERO C([NH2+][C@H]1CCCC12CCOCC2)c1nc(C2CCCC2)no1 ZINC000548798823 314475764 /nfs/dbraw/zinc/47/57/64/314475764.db2.gz ISSFXEFNDISHGF-AWEZNQCLSA-N 1 0 305.422 3.166 10 0 DGAERO c1ccc([C@H]([NH2+][C@@H]2CCC23CCOCC3)[C@@H]2CCOC2)cc1 ZINC000548858109 314479873 /nfs/dbraw/zinc/47/98/73/314479873.db2.gz HDRBSVFUHDZHEO-KURKYZTESA-N 1 0 301.430 3.313 10 0 DGAERO COC[C@H](O)C[NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000553831018 314656539 /nfs/dbraw/zinc/65/65/39/314656539.db2.gz RSQVYAJFOBVARV-VQIMIIECSA-N 1 0 311.381 3.119 10 0 DGAERO COc1cc(C)ccc1[C@@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000554391681 314678818 /nfs/dbraw/zinc/67/88/18/314678818.db2.gz XFHYVCBZKJDKFU-IUDNXUCKSA-N 1 0 304.434 3.102 10 0 DGAERO c1nc(C2CC2)sc1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000561566654 314974441 /nfs/dbraw/zinc/97/44/41/314974441.db2.gz DGYNRJCBMFUOAX-CYBMUJFWSA-N 1 0 316.426 3.340 10 0 DGAERO Cc1ccc2[nH]c(C[NH2+][C@H]3CCC[C@@H](c4ccnn4C)C3)nc2c1 ZINC000562616587 315036549 /nfs/dbraw/zinc/03/65/49/315036549.db2.gz DAPLZGHCHMRODH-CABCVRRESA-N 1 0 323.444 3.421 10 0 DGAERO c1ccc(OCCCCN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562836892 315056279 /nfs/dbraw/zinc/05/62/79/315056279.db2.gz BODIDVWJEKDGIF-MOPGFXCFSA-N 1 0 302.462 3.452 10 0 DGAERO CCCCO[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCCCC2)C1(C)C ZINC000563720508 315134199 /nfs/dbraw/zinc/13/41/99/315134199.db2.gz BNQQUQHNJJTBQK-CVEARBPZSA-N 1 0 310.482 3.009 10 0 DGAERO CC(C)[C@@H]1CC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000563840301 315141079 /nfs/dbraw/zinc/14/10/79/315141079.db2.gz FOKFVPVVJSILPE-ZFWWWQNUSA-N 1 0 301.352 3.339 10 0 DGAERO CC(C)[C@H]1CC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000563839864 315141241 /nfs/dbraw/zinc/14/12/41/315141241.db2.gz FOKFVPVVJSILPE-DZGCQCFKSA-N 1 0 301.352 3.339 10 0 DGAERO Brc1cnn(CCCC[NH2+][C@H]2CCCC23CC3)c1 ZINC000565550484 315270066 /nfs/dbraw/zinc/27/00/66/315270066.db2.gz QLJHTSYMCYRSKH-ZDUSSCGKSA-N 1 0 312.255 3.348 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCSC3)CC23CC3)cc1 ZINC000566215447 315322950 /nfs/dbraw/zinc/32/29/50/315322950.db2.gz DUJVGPIYSXURCN-DLBZAZTESA-N 1 0 302.487 3.279 10 0 DGAERO c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CCC13CCOCC3)CS2 ZINC000566221957 315323206 /nfs/dbraw/zinc/32/32/06/315323206.db2.gz XGVRETICJACYLN-CZUORRHYSA-N 1 0 305.443 3.089 10 0 DGAERO c1ccc2c(c1)O[C@@H](C[NH2+][C@@H]1CCC13CCOCC3)CS2 ZINC000566221959 315323596 /nfs/dbraw/zinc/32/35/96/315323596.db2.gz XGVRETICJACYLN-XJKSGUPXSA-N 1 0 305.443 3.089 10 0 DGAERO c1ccc(-c2nc([C@@H]3CCCO3)no2)c(CC2CC[NH2+]CC2)c1 ZINC000570061017 315622710 /nfs/dbraw/zinc/62/27/10/315622710.db2.gz GPZLPHPTRNNNHH-INIZCTEOSA-N 1 0 313.401 3.130 10 0 DGAERO COc1cc(C[NH2+]CCOCC2CCC2)ccc1OC(F)F ZINC000574950461 316018437 /nfs/dbraw/zinc/01/84/37/316018437.db2.gz BLJZVEVSTIUGKI-UHFFFAOYSA-N 1 0 315.360 3.203 10 0 DGAERO CC(=O)c1cc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])ccc1C ZINC000576291979 316115667 /nfs/dbraw/zinc/11/56/67/316115667.db2.gz YHZKZJJPDDAQTN-RDJZCZTQSA-N 1 0 302.418 3.434 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1Br ZINC000328425878 533702685 /nfs/dbraw/zinc/70/26/85/533702685.db2.gz LMXJFOQBQILOJW-ZDUSSCGKSA-N 1 0 314.223 3.115 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C(C)(C)c1ccccc1 ZINC000180006173 323219680 /nfs/dbraw/zinc/21/96/80/323219680.db2.gz FHJGETCONYCCSI-ZBFHGGJFSA-N 1 0 311.491 3.013 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)CCN1C ZINC000180424574 323229458 /nfs/dbraw/zinc/22/94/58/323229458.db2.gz HDLXIQXGOPXOAA-QAPCUYQASA-N 1 0 312.461 3.002 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+]C1C3CC4CC(C3)CC1C4)CC2 ZINC000180516594 323231327 /nfs/dbraw/zinc/23/13/27/323231327.db2.gz IKJWYVPHSXOIRI-PKSOCPPESA-N 1 0 314.477 3.131 10 0 DGAERO CCCc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(CC)nn3C2)cc1 ZINC000180611989 323234028 /nfs/dbraw/zinc/23/40/28/323234028.db2.gz APWANWQIIWRDQM-PBHICJAKSA-N 1 0 312.461 3.459 10 0 DGAERO Cc1ccc([C@H](C[NH2+][C@H](C)C(C)(C)C)N2CCOCC2)s1 ZINC000180655976 323234680 /nfs/dbraw/zinc/23/46/80/323234680.db2.gz NASNBMABGIIDJY-CABCVRRESA-N 1 0 310.507 3.454 10 0 DGAERO CCC[C@H](C)C[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000180693414 323236007 /nfs/dbraw/zinc/23/60/07/323236007.db2.gz DGASFSSDZFNGBM-ZDUSSCGKSA-N 1 0 308.422 3.010 10 0 DGAERO CCn1c2ccccc2nc1NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000181168869 323247940 /nfs/dbraw/zinc/24/79/40/323247940.db2.gz SDFSNJYALHVGNL-UONOGXRCSA-N 1 0 314.433 3.292 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000181664405 323263614 /nfs/dbraw/zinc/26/36/14/323263614.db2.gz GDELQFYRKROQOQ-IEBWSBKVSA-N 1 0 319.445 3.245 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181883378 323273004 /nfs/dbraw/zinc/27/30/04/323273004.db2.gz XRJFGMIRMZMXFC-HNNXBMFYSA-N 1 0 317.477 3.242 10 0 DGAERO Cc1[nH+]c2ccccc2c(N2CC[C@@](O)(C(F)(F)F)C2)c1C ZINC000181919118 323274670 /nfs/dbraw/zinc/27/46/70/323274670.db2.gz CPNQFLKLSVWFFQ-HNNXBMFYSA-N 1 0 310.319 3.355 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)cc(F)c1 ZINC000182079284 323282863 /nfs/dbraw/zinc/28/28/63/323282863.db2.gz CBLXXVZUDJWSAF-JKSUJKDBSA-N 1 0 305.397 3.225 10 0 DGAERO Cc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182267214 323289337 /nfs/dbraw/zinc/28/93/37/323289337.db2.gz FWOKUHYGSJRHJK-CYBMUJFWSA-N 1 0 312.369 3.013 10 0 DGAERO CCc1cnccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000182499162 323302260 /nfs/dbraw/zinc/30/22/60/323302260.db2.gz AUTCSBYIHZLKCM-UHFFFAOYSA-N 1 0 323.440 3.170 10 0 DGAERO CCc1cnccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000182499449 323302660 /nfs/dbraw/zinc/30/26/60/323302660.db2.gz QBDWYLMPFPCUJO-UHFFFAOYSA-N 1 0 323.440 3.170 10 0 DGAERO C[NH+](C)C[C@@H]1CCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000183114523 323326174 /nfs/dbraw/zinc/32/61/74/323326174.db2.gz UDTCPEHMTJDCMO-MOKVOYLWSA-N 1 0 320.399 3.155 10 0 DGAERO C[C@@H](CCNC(=O)C(C)(C)c1ccccc1F)[NH+]1CCCCC1 ZINC000183172889 323328333 /nfs/dbraw/zinc/32/83/33/323328333.db2.gz GQHCDDKTVHFFKU-HNNXBMFYSA-N 1 0 320.452 3.484 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183213021 323330343 /nfs/dbraw/zinc/33/03/43/323330343.db2.gz IULJGAHRJUKQKV-VTXSZYRJSA-N 1 0 320.399 3.296 10 0 DGAERO CC[N@@H+]1CCC[C@H](N[C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183391716 323336037 /nfs/dbraw/zinc/33/60/37/323336037.db2.gz LTALOXJVFUALGP-HKUYNNGSSA-N 1 0 313.420 3.384 10 0 DGAERO CCC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1ccccn1 ZINC000183488124 323339945 /nfs/dbraw/zinc/33/99/45/323339945.db2.gz RAHGZVLMIIZHGI-KRWDZBQOSA-N 1 0 300.450 3.496 10 0 DGAERO Fc1ccc([C@@H]([NH2+]CCCn2ccnn2)C2CCCC2)cc1 ZINC000184264543 323360432 /nfs/dbraw/zinc/36/04/32/323360432.db2.gz HQBSHYHQAKQKET-KRWDZBQOSA-N 1 0 302.397 3.328 10 0 DGAERO CC[C@H](NCC(=O)N(CC)C1CCCCC1)c1nccs1 ZINC000185040285 323379398 /nfs/dbraw/zinc/37/93/98/323379398.db2.gz WAHKPHWMCVKHMT-AWEZNQCLSA-N 1 0 309.479 3.365 10 0 DGAERO C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)[C@@H](C)C1CCCCC1 ZINC000185520171 323390338 /nfs/dbraw/zinc/39/03/38/323390338.db2.gz ADVNEVVVOCHYAB-CABCVRRESA-N 1 0 313.445 3.389 10 0 DGAERO C[C@H](NCc1cn2ccsc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738682 323394355 /nfs/dbraw/zinc/39/43/55/323394355.db2.gz KUGXNNNCGDUTOR-KBPBESRZSA-N 1 0 318.490 3.138 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000188955480 323431214 /nfs/dbraw/zinc/43/12/14/323431214.db2.gz YWRGMUADJQYHBB-UHFFFAOYSA-N 1 0 301.434 3.199 10 0 DGAERO Cc1ccc(C[C@@H](C)N(C)C(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000192581286 323455190 /nfs/dbraw/zinc/45/51/90/323455190.db2.gz PGAPNBGUVHPNFF-MRXNPFEDSA-N 1 0 314.473 3.259 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000194941616 323482821 /nfs/dbraw/zinc/48/28/21/323482821.db2.gz KTCNSASNRRTIIS-WBVHZDCISA-N 1 0 309.498 3.329 10 0 DGAERO Cn1ncc(Br)c1C[NH2+]C(C)(C)CC(C)(C)C ZINC000379879280 323611427 /nfs/dbraw/zinc/61/14/27/323611427.db2.gz ANKPBTJZUGTRJY-UHFFFAOYSA-N 1 0 302.260 3.487 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2Br)C1 ZINC000382495826 323622559 /nfs/dbraw/zinc/62/25/59/323622559.db2.gz LLNLEUYYRLLBKI-JQWIXIFHSA-N 1 0 316.214 3.229 10 0 DGAERO COCC[C@H](COC)[NH2+][C@H](C)c1sccc1Br ZINC000384014412 323626924 /nfs/dbraw/zinc/62/69/24/323626924.db2.gz OWJBCGPEEHGFBV-NXEZZACHSA-N 1 0 322.268 3.213 10 0 DGAERO CCC1([NH2+]Cc2c(Br)cnn2C)CCCCC1 ZINC000389484287 323661030 /nfs/dbraw/zinc/66/10/30/323661030.db2.gz QKSAEVPZEKEQOV-UHFFFAOYSA-N 1 0 300.244 3.385 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+][C@](C)(CO)C(C)C ZINC000398609495 323682621 /nfs/dbraw/zinc/68/26/21/323682621.db2.gz ZYTKVXWMOHMYNT-CQSZACIVSA-N 1 0 300.240 3.254 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]Cc2cc3cccnc3o2)c2ccccc21 ZINC000580155123 323964180 /nfs/dbraw/zinc/96/41/80/323964180.db2.gz PMGXLNOUAIHVKT-QGZVFWFLSA-N 1 0 321.380 3.415 10 0 DGAERO c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000580736827 324032690 /nfs/dbraw/zinc/03/26/90/324032690.db2.gz HBZNDZNZRDCWEC-LTIDMASMSA-N 1 0 301.430 3.348 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]CCc3ccccn3)CC23CC3)cc1 ZINC000581369095 324110169 /nfs/dbraw/zinc/11/01/69/324110169.db2.gz DSAKPXALGBAWRT-FQEVSTJZSA-N 1 0 321.468 3.411 10 0 DGAERO CC[C@H]([NH2+]CCc1ccccc1Br)c1ccn(C)n1 ZINC000581576064 324132294 /nfs/dbraw/zinc/13/22/94/324132294.db2.gz PEHQYADQLDZMNY-AWEZNQCLSA-N 1 0 322.250 3.466 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(Br)cn1 ZINC000582521653 324240027 /nfs/dbraw/zinc/24/00/27/324240027.db2.gz UVTSDBLYOZLUCX-MISXGVKJSA-N 1 0 313.239 3.046 10 0 DGAERO COC[C@H]([NH2+]CCOc1cccc(OC)c1)c1ccc(F)cc1 ZINC000582863148 324285455 /nfs/dbraw/zinc/28/54/55/324285455.db2.gz SOLBKPXJCPLGRZ-SFHVURJKSA-N 1 0 319.376 3.190 10 0 DGAERO CC[NH+](CC)CC1=C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2N(C)C1 ZINC000584602385 337371030 /nfs/dbraw/zinc/37/10/30/337371030.db2.gz HRZPOIOCIKJJMX-IEBWSBKVSA-N 1 0 309.457 3.390 10 0 DGAERO CCC[C@@H](CO)[NH2+]CC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000584590860 337373485 /nfs/dbraw/zinc/37/34/85/337373485.db2.gz DHDIFZYYEAYBDP-SFHVURJKSA-N 1 0 318.461 3.423 10 0 DGAERO O=C(NC1CCCC1)c1csc([C@H]2C[C@@H]2[NH2+]C2CCC2)c1 ZINC000584635358 337374800 /nfs/dbraw/zinc/37/48/00/337374800.db2.gz VZSDNHFXEYBWDN-GJZGRUSLSA-N 1 0 304.459 3.419 10 0 DGAERO CCCCOCC/C=C/C[NH2+]CCOc1ccccc1OC ZINC000584627018 337376026 /nfs/dbraw/zinc/37/60/26/337376026.db2.gz DPRRNYJGGZOEBK-VMPITWQZSA-N 1 0 307.434 3.427 10 0 DGAERO O=C(NC1CCCC1)c1cc([C@H]2C[C@@H]2[NH2+]C2CCC2)cs1 ZINC000584630415 337376782 /nfs/dbraw/zinc/37/67/82/337376782.db2.gz WWNDTVLDEKXLOI-CABCVRRESA-N 1 0 304.459 3.419 10 0 DGAERO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000191630337 337825386 /nfs/dbraw/zinc/82/53/86/337825386.db2.gz JYNIQELTCGELNE-MNOVXSKESA-N 1 0 316.239 3.391 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000136191533 518203443 /nfs/dbraw/zinc/20/34/43/518203443.db2.gz BJZWLIPCEOUZQF-SMDDNHRTSA-N 1 0 316.214 3.229 10 0 DGAERO O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333793168 500684562 /nfs/dbraw/zinc/68/45/62/500684562.db2.gz MRJJIYFQCKIRLD-OKZBNKHCSA-N 1 0 315.461 3.154 10 0 DGAERO C[C@@H](C[NH+]1CCCCCC1)Nc1nnc(-c2ccccn2)s1 ZINC000302348223 533825217 /nfs/dbraw/zinc/82/52/17/533825217.db2.gz CXARUHJJRZFYPJ-ZDUSSCGKSA-N 1 0 317.462 3.277 10 0 DGAERO Cc1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc[nH+]1 ZINC000302350308 533998816 /nfs/dbraw/zinc/99/88/16/533998816.db2.gz YFONOJGBDBUQEK-GJZGRUSLSA-N 1 0 312.417 3.011 10 0 DGAERO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000174175233 534061509 /nfs/dbraw/zinc/06/15/09/534061509.db2.gz ZQKRRYUTOVKRDW-MAUKXSAKSA-N 1 0 306.425 3.073 10 0 DGAERO C[C@@H](CSCc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000161537440 534191486 /nfs/dbraw/zinc/19/14/86/534191486.db2.gz NLRMKPQXPAWLHF-HNNXBMFYSA-N 1 0 320.502 3.109 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000157696353 519842953 /nfs/dbraw/zinc/84/29/53/519842953.db2.gz DLBOWFHKMRELGL-UHFFFAOYSA-N 1 0 311.376 3.208 10 0 DGAERO Cc1ccc2[nH+]ccc(N3CCN(C(=O)c4ccco4)CC3)c2c1 ZINC000302154450 534521755 /nfs/dbraw/zinc/52/17/55/534521755.db2.gz LVWVBFMPQQPCPU-UHFFFAOYSA-N 1 0 321.380 3.099 10 0 DGAERO Cc1ccc2[nH+]ccc(NCc3nnc4n3CCCCC4)c2c1 ZINC000302147654 534523424 /nfs/dbraw/zinc/52/34/24/534523424.db2.gz IWBGYVKCZIQXPW-UHFFFAOYSA-N 1 0 307.401 3.473 10 0 DGAERO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)oc1C ZINC000157010936 521839472 /nfs/dbraw/zinc/83/94/72/521839472.db2.gz XTZMMGKYYWTVEX-GFCCVEGCSA-N 1 0 320.414 3.211 10 0 DGAERO [NH3+]CCC[C@H](Nc1ncc(Br)cn1)c1ccccc1 ZINC000312042828 534622032 /nfs/dbraw/zinc/62/20/32/534622032.db2.gz XFVMTTVEPSJPCU-ZDUSSCGKSA-N 1 0 321.222 3.131 10 0 DGAERO COCCC1(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCCC1 ZINC000154144592 523001893 /nfs/dbraw/zinc/00/18/93/523001893.db2.gz VDGMOTHHKYHTKF-KRWDZBQOSA-N 1 0 322.493 3.060 10 0 DGAERO CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C)cc2)n1 ZINC000070456201 523822097 /nfs/dbraw/zinc/82/20/97/523822097.db2.gz OJTBKEHWAQPLAI-OAHLLOKOSA-N 1 0 310.445 3.426 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000450724922 534788630 /nfs/dbraw/zinc/78/86/30/534788630.db2.gz HMARPMQDPQFJEP-WMZOPIPTSA-N 1 0 317.454 3.270 10 0 DGAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC12CCC2 ZINC000435571418 534797959 /nfs/dbraw/zinc/79/79/59/534797959.db2.gz VDEWXEOUAYNGMB-UHFFFAOYSA-N 1 0 305.466 3.122 10 0 DGAERO C[C@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1cccc(Cl)c1 ZINC000156721134 525221005 /nfs/dbraw/zinc/22/10/05/525221005.db2.gz DUBNMWFNUATTSH-NSHDSACASA-N 1 0 300.789 3.434 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449113128 534841745 /nfs/dbraw/zinc/84/17/45/534841745.db2.gz VHQYQFFMJUVIBS-IGEOTXOUSA-N 1 0 314.429 3.401 10 0 DGAERO C[C@@H](OC1CCCCCC1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000154000385 525898690 /nfs/dbraw/zinc/89/86/90/525898690.db2.gz SBEBDFSSZITYDU-MRXNPFEDSA-N 1 0 322.493 3.201 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000157369889 525955953 /nfs/dbraw/zinc/95/59/53/525955953.db2.gz TVDMZHPUPJEWJW-QLGSUFQJSA-N 1 0 312.457 3.341 10 0 DGAERO C[C@H](C(=O)NC1(c2ccc(Cl)cc2)CCCC1)C1C[NH2+]C1 ZINC000262585907 526022169 /nfs/dbraw/zinc/02/21/69/526022169.db2.gz VJLUISZXXSHWNJ-LBPRGKRZSA-N 1 0 306.837 3.081 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CCCOC[C@@H]1CCOC1)CCCO2 ZINC000158216340 526209778 /nfs/dbraw/zinc/20/97/78/526209778.db2.gz QLKPSKMJPNYOCU-FUHWJXTLSA-N 1 0 319.445 3.242 10 0 DGAERO O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000163408061 526561245 /nfs/dbraw/zinc/56/12/45/526561245.db2.gz QEEVZQYQANEFHM-MSOLQXFVSA-N 1 0 304.478 3.290 10 0 DGAERO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccsc3)cc2)[C@H](C)C1 ZINC000444650539 526627498 /nfs/dbraw/zinc/62/74/98/526627498.db2.gz PAIDSKATUPHWGY-CQSZACIVSA-N 1 0 314.454 3.468 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000155063414 527142989 /nfs/dbraw/zinc/14/29/89/527142989.db2.gz DVXFUCBAAVDIGT-WBVHZDCISA-N 1 0 310.482 3.009 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000154914592 527144629 /nfs/dbraw/zinc/14/46/29/527144629.db2.gz KWFJPUPTAHKGEG-MWDXBVQZSA-N 1 0 324.509 3.255 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC2([NH3+])CCCCC2)cc1Cl ZINC000415452207 527307026 /nfs/dbraw/zinc/30/70/26/527307026.db2.gz ODYPICHLBSBUQY-UHFFFAOYSA-N 1 0 323.824 3.326 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441206633 527403167 /nfs/dbraw/zinc/40/31/67/527403167.db2.gz XGZXDTFECQOSHO-IAGOWNOFSA-N 1 0 317.429 3.017 10 0 DGAERO CC(=O)c1cnc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)s1 ZINC000424129968 527419390 /nfs/dbraw/zinc/41/93/90/527419390.db2.gz SMOYPPLTUHSOKE-ZDUSSCGKSA-N 1 0 323.462 3.362 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000328652248 527506997 /nfs/dbraw/zinc/50/69/97/527506997.db2.gz WGNCESWMGYPPKA-FULNVYTMSA-N 1 0 311.429 3.333 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000163667031 527585643 /nfs/dbraw/zinc/58/56/43/527585643.db2.gz YXPMTKRWJNCXOJ-TZMCWYRMSA-N 1 0 320.481 3.044 10 0 DGAERO CCC1CCC([N@H+](CCO)Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000434986296 527843765 /nfs/dbraw/zinc/84/37/65/527843765.db2.gz GIIFXHFLGOHLDD-UHFFFAOYSA-N 1 0 317.433 3.433 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1 ZINC000177765619 528161649 /nfs/dbraw/zinc/16/16/49/528161649.db2.gz RKAPJKLBEWPJMV-CQSZACIVSA-N 1 0 306.450 3.287 10 0 DGAERO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(CCO)CC1 ZINC000188048899 528195387 /nfs/dbraw/zinc/19/53/87/528195387.db2.gz YBWLPCMQGCEGBY-HNNXBMFYSA-N 1 0 318.461 3.279 10 0 DGAERO CCC[N@@H+]1CCCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000302554482 528218376 /nfs/dbraw/zinc/21/83/76/528218376.db2.gz XLTRXQDVIJYOOL-UHFFFAOYSA-N 1 0 305.372 3.435 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc([C@@H](C)OC)c2)C1 ZINC000175962322 528286930 /nfs/dbraw/zinc/28/69/30/528286930.db2.gz WOBCRPYJAWNJNA-PBHICJAKSA-N 1 0 319.449 3.342 10 0 DGAERO CC(C)Oc1nccnc1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000302030397 528290286 /nfs/dbraw/zinc/29/02/86/528290286.db2.gz MVLAYIRRLOCBEQ-HNNXBMFYSA-N 1 0 318.396 3.118 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000175401914 528516372 /nfs/dbraw/zinc/51/63/72/528516372.db2.gz VEWQZUSZIBCLTK-TZMCWYRMSA-N 1 0 323.412 3.171 10 0 DGAERO CCN(Cc1c[nH]c2ccccc12)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000443381460 528760835 /nfs/dbraw/zinc/76/08/35/528760835.db2.gz BXBJBNWYXXNUMU-HUUCEWRRSA-N 1 0 313.445 3.389 10 0 DGAERO CCC(CC)[C@@H](CNC(=O)Nc1cn(C)nc1C(C)C)[NH+](C)C ZINC000435167835 528821216 /nfs/dbraw/zinc/82/12/16/528821216.db2.gz FFOKGOCFUAOECC-OAHLLOKOSA-N 1 0 323.485 3.031 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@H](C(C)C)C2)CC1 ZINC000436218979 528962059 /nfs/dbraw/zinc/96/20/59/528962059.db2.gz JVHPICKZHAAQQP-KRWDZBQOSA-N 1 0 309.498 3.186 10 0 DGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000183129451 529055163 /nfs/dbraw/zinc/05/51/63/529055163.db2.gz BIQASLDIZWHXTM-SFHVURJKSA-N 1 0 300.446 3.302 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCc1ccc(C)s1 ZINC000176075406 529096362 /nfs/dbraw/zinc/09/63/62/529096362.db2.gz NZFFRNRCRNNNFO-HNNXBMFYSA-N 1 0 308.491 3.322 10 0 DGAERO CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000457059037 535075605 /nfs/dbraw/zinc/07/56/05/535075605.db2.gz WKOAPXVVFFHYKA-HIFRSBDPSA-N 1 0 322.399 3.059 10 0 DGAERO CC[NH+](CC)CC1CCN(c2ncnc3cccc(C)c32)CC1 ZINC000484815531 535499015 /nfs/dbraw/zinc/49/90/15/535499015.db2.gz CDPFWHJKUGZIDG-UHFFFAOYSA-N 1 0 312.461 3.496 10 0 DGAERO C[NH+](C)CCOc1cccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000468858543 535913479 /nfs/dbraw/zinc/91/34/79/535913479.db2.gz GPLNNHRXUGTFIV-FVQHAEBGSA-N 1 0 302.418 3.002 10 0 DGAERO CCn1nnc(C)c1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000449349491 535917785 /nfs/dbraw/zinc/91/77/85/535917785.db2.gz JYIMNUKVHRUKHW-HNNXBMFYSA-N 1 0 306.360 3.052 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]Cc2cnc(C3CC3)o2)cc1OC ZINC000449707208 536502656 /nfs/dbraw/zinc/50/26/56/536502656.db2.gz PXCWRXLQWBKMHA-GFCCVEGCSA-N 1 0 316.401 3.290 10 0 DGAERO CO[C@@H]1CC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C[C@@H]1C ZINC000451577668 536685932 /nfs/dbraw/zinc/68/59/32/536685932.db2.gz VXADSPKQNWHJSJ-YVEFUNNKSA-N 1 0 300.402 3.016 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000471776815 536706755 /nfs/dbraw/zinc/70/67/55/536706755.db2.gz YJVTWPXEDWSEJS-RCCFBDPRSA-N 1 0 300.377 3.467 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1sccc1Br ZINC000040673148 545676602 /nfs/dbraw/zinc/67/66/02/545676602.db2.gz NHICDTWJPYDDOL-NXEZZACHSA-N 1 0 303.269 3.255 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccco1 ZINC000046342985 545680560 /nfs/dbraw/zinc/68/05/60/545680560.db2.gz MYICNZREBLEMPL-HNNXBMFYSA-N 1 0 303.402 3.275 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCc1ccc(Cl)cc1Cl ZINC000054305703 545698558 /nfs/dbraw/zinc/69/85/58/545698558.db2.gz CAJRAZONEJMMAY-NSHDSACASA-N 1 0 315.244 3.042 10 0 DGAERO C[NH2+][C@H](C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000054075312 545698693 /nfs/dbraw/zinc/69/86/93/545698693.db2.gz UYUDPCLNTSUPKG-SECBINFHSA-N 1 0 301.217 3.092 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(Cl)c2ncccc12 ZINC000054307419 545698847 /nfs/dbraw/zinc/69/88/47/545698847.db2.gz BXZBVHIFJUOBMY-NSHDSACASA-N 1 0 303.793 3.216 10 0 DGAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000074019390 545720338 /nfs/dbraw/zinc/72/03/38/545720338.db2.gz YRVNUEFHJJTVND-UHFFFAOYSA-N 1 0 315.461 3.368 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1c(Cl)ccc(F)c1Cl ZINC000079927320 545761655 /nfs/dbraw/zinc/76/16/55/545761655.db2.gz WPPHMANKBUZCDX-YUMQZZPRSA-N 1 0 305.180 3.062 10 0 DGAERO C[C@H](NC(=O)NC[C@H]1C[C@@H]1c1ccccc1)C(C)(C)C[NH+](C)C ZINC000085361147 545797274 /nfs/dbraw/zinc/79/72/74/545797274.db2.gz HNYLBDZCWWAJRQ-USXIJHARSA-N 1 0 317.477 3.066 10 0 DGAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000088276812 545808001 /nfs/dbraw/zinc/80/80/01/545808001.db2.gz JLICJKNNCRWOEY-AVGNSLFASA-N 1 0 308.388 3.235 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000089430807 545813633 /nfs/dbraw/zinc/81/36/33/545813633.db2.gz DSBHCFBLKVXNEN-JQWIXIFHSA-N 1 0 322.206 3.342 10 0 DGAERO Clc1c2ccccc2sc1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000090297763 545825438 /nfs/dbraw/zinc/82/54/38/545825438.db2.gz LGBRZNLPVRZHBC-UHFFFAOYSA-N 1 0 318.833 3.447 10 0 DGAERO Cc1ncc([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)s1 ZINC000090403783 545826959 /nfs/dbraw/zinc/82/69/59/545826959.db2.gz LDZOAZDERXLEPC-BBRMVZONSA-N 1 0 303.475 3.275 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091539401 545835545 /nfs/dbraw/zinc/83/55/45/545835545.db2.gz UDGFUAXXCYSNHB-SKDRFNHKSA-N 1 0 301.217 3.079 10 0 DGAERO C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccc(Cl)c(Cl)c1 ZINC000094295003 545860024 /nfs/dbraw/zinc/86/00/24/545860024.db2.gz CVDXEOCMXNXHEB-VIFPVBQESA-N 1 0 301.217 3.442 10 0 DGAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000097067800 545864940 /nfs/dbraw/zinc/86/49/40/545864940.db2.gz IZJCOHNGKCHZBV-KOLCDFICSA-N 1 0 308.179 3.094 10 0 DGAERO Clc1ccc([C@H]2CSCCN2Cc2cncnc2)cc1 ZINC000128337530 545937711 /nfs/dbraw/zinc/93/77/11/545937711.db2.gz OZBKHLGEQQNXSE-OAHLLOKOSA-N 1 0 305.834 3.420 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130801963 545952046 /nfs/dbraw/zinc/95/20/46/545952046.db2.gz CDLNEUNTMOHYJJ-RWMBFGLXSA-N 1 0 308.388 3.344 10 0 DGAERO Fc1ccc2oc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)nc2c1 ZINC000133101593 545966590 /nfs/dbraw/zinc/96/65/90/545966590.db2.gz UXXMBVMYERHRRY-NSHDSACASA-N 1 0 300.337 3.070 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000136375029 545981722 /nfs/dbraw/zinc/98/17/22/545981722.db2.gz PHABWERAAPRCFO-CYBMUJFWSA-N 1 0 303.233 3.325 10 0 DGAERO Fc1ccccc1SCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152240135 546001540 /nfs/dbraw/zinc/00/15/40/546001540.db2.gz DNQOKOPPFRGAQN-HNNXBMFYSA-N 1 0 318.417 3.466 10 0 DGAERO c1ccc(COc2cccc(CC[NH2+]Cc3cncnc3)c2)cc1 ZINC000153844799 546013157 /nfs/dbraw/zinc/01/31/57/546013157.db2.gz HIOVTYAXANOEIR-UHFFFAOYSA-N 1 0 319.408 3.388 10 0 DGAERO CC[C@H](C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1)[NH+](C)C ZINC000156735097 546036008 /nfs/dbraw/zinc/03/60/08/546036008.db2.gz BYQLRKPYHGIKEL-RHSMWYFYSA-N 1 0 306.450 3.239 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000163834609 546084426 /nfs/dbraw/zinc/08/44/26/546084426.db2.gz ULEQAWFJICKLEA-WOJBJXKFSA-N 1 0 312.457 3.137 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000163919138 546085893 /nfs/dbraw/zinc/08/58/93/546085893.db2.gz DLPSBDMQNGMLAC-DOTOQJQBSA-N 1 0 308.491 3.290 10 0 DGAERO Cc1oc2nc(C[N@@H+](CCC(C)C)C3CC3)nc(N)c2c1C ZINC000178394331 546128989 /nfs/dbraw/zinc/12/89/89/546128989.db2.gz FTKHYPIKQSJARD-UHFFFAOYSA-N 1 0 302.422 3.432 10 0 DGAERO CC(C)CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179270438 546134704 /nfs/dbraw/zinc/13/47/04/546134704.db2.gz KMTXCOHJJJQCLK-IAGOWNOFSA-N 1 0 303.450 3.119 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000180184880 546142637 /nfs/dbraw/zinc/14/26/37/546142637.db2.gz OHFMIAXLDAOLNV-QMMMGPOBSA-N 1 0 312.186 3.471 10 0 DGAERO COc1ccc([C@H](C)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000180373789 546144445 /nfs/dbraw/zinc/14/44/45/546144445.db2.gz WXCQFXYWTPRILB-SZVBFZGTSA-N 1 0 303.446 3.426 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1F ZINC000181335665 546155148 /nfs/dbraw/zinc/15/51/48/546155148.db2.gz ZIKHNUWTSSSVHJ-GUTXKFCHSA-N 1 0 306.425 3.289 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccccc32)cc1F ZINC000181361459 546157166 /nfs/dbraw/zinc/15/71/66/546157166.db2.gz HTIMQPQMXHDWLB-AWEZNQCLSA-N 1 0 312.388 3.374 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000181608422 546157800 /nfs/dbraw/zinc/15/78/00/546157800.db2.gz QPCVPZDQEZYBSW-GHMZBOCLSA-N 1 0 323.380 3.037 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000181550137 546158576 /nfs/dbraw/zinc/15/85/76/546158576.db2.gz CPIZZOORIRDXEQ-GJZGRUSLSA-N 1 0 300.446 3.435 10 0 DGAERO C[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000185613248 546188211 /nfs/dbraw/zinc/18/82/11/546188211.db2.gz XMQQXZYCFMURAP-NSHDSACASA-N 1 0 315.820 3.133 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(CC)cc2)C12CCOCC2 ZINC000186346149 546193990 /nfs/dbraw/zinc/19/39/90/546193990.db2.gz RFYFYJGSGJNZHQ-RBUKOAKNSA-N 1 0 317.473 3.355 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188003687 546202482 /nfs/dbraw/zinc/20/24/82/546202482.db2.gz YLTVBDMNYNCHAX-LBPRGKRZSA-N 1 0 318.852 3.080 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)c2ccn(C)c2C)CC1 ZINC000192584671 546234446 /nfs/dbraw/zinc/23/44/46/546234446.db2.gz YIIREKPAECGDRX-UHFFFAOYSA-N 1 0 319.493 3.308 10 0 DGAERO COc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1F ZINC000192664602 546235421 /nfs/dbraw/zinc/23/54/21/546235421.db2.gz GBQCHWVQACXGGB-LLVKDONJSA-N 1 0 303.333 3.414 10 0 DGAERO O=C(c1coc(C2CCC2)n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000194315568 546247048 /nfs/dbraw/zinc/24/70/48/546247048.db2.gz KEOGNBQONOMIFC-HNNXBMFYSA-N 1 0 317.433 3.033 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(F)cc1Br ZINC000222586950 546266787 /nfs/dbraw/zinc/26/67/87/546266787.db2.gz CUULFJNSQMIGEG-PWSUYJOCSA-N 1 0 315.230 3.333 10 0 DGAERO OC1CCC(C[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000227651827 546268565 /nfs/dbraw/zinc/26/85/65/546268565.db2.gz FLQQUGURPKEYAO-UHFFFAOYSA-N 1 0 316.214 3.229 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000227971733 546268621 /nfs/dbraw/zinc/26/86/21/546268621.db2.gz DLPSBDMQNGMLAC-RDJZCZTQSA-N 1 0 308.491 3.290 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)c(Br)c1 ZINC000229195310 546272184 /nfs/dbraw/zinc/27/21/84/546272184.db2.gz IXFHNNDQSRUDBN-DZGCQCFKSA-N 1 0 312.251 3.398 10 0 DGAERO CN1CCC[C@@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000234316826 546278306 /nfs/dbraw/zinc/27/83/06/546278306.db2.gz WMNNLUKGPUKKIF-LLVKDONJSA-N 1 0 317.658 3.286 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000246969058 546307503 /nfs/dbraw/zinc/30/75/03/546307503.db2.gz JHVRNMIICKLCDM-CJNGLKHVSA-N 1 0 324.465 3.063 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc4cnccc43)[C@H]2C1 ZINC000248396237 546316938 /nfs/dbraw/zinc/31/69/38/546316938.db2.gz ZOAPWVYXUPALAW-NEWSRXKRSA-N 1 0 312.413 3.003 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C(F)F)cc1 ZINC000248739186 546320536 /nfs/dbraw/zinc/32/05/36/546320536.db2.gz DYOTXCCUZFOSRQ-WFASDCNBSA-N 1 0 323.387 3.002 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000250204637 546328094 /nfs/dbraw/zinc/32/80/94/546328094.db2.gz UGIQILSEWZWESB-ZENOOKHLSA-N 1 0 306.837 3.379 10 0 DGAERO CC[C@@H]1CN(Cc2ccc(Br)c(F)c2)CC[C@H]1[NH3+] ZINC000251888173 546331138 /nfs/dbraw/zinc/33/11/38/546331138.db2.gz VUMLQGKFBCNGCM-BXUZGUMPSA-N 1 0 315.230 3.147 10 0 DGAERO CC[C@@H]1CN(c2ncc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000253365735 546332841 /nfs/dbraw/zinc/33/28/41/546332841.db2.gz PLVARTXDENQQIK-LDYMZIIASA-N 1 0 318.646 3.061 10 0 DGAERO C[C@@H]1CCC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000255301926 546334899 /nfs/dbraw/zinc/33/48/99/546334899.db2.gz YWIGTTCIQHWBTF-DQIHPLBOSA-N 1 0 307.482 3.127 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000261773359 546338501 /nfs/dbraw/zinc/33/85/01/546338501.db2.gz OPWMEIPMXUGEKR-WNRNVDISSA-N 1 0 300.446 3.347 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000300417114 546435670 /nfs/dbraw/zinc/43/56/70/546435670.db2.gz NJLHUJZQXVJABL-NXEZZACHSA-N 1 0 323.289 3.426 10 0 DGAERO OC[C@]1([NH2+]C2CCCCCC2)CCCN(Cc2ccccc2)C1 ZINC000302908191 546439229 /nfs/dbraw/zinc/43/92/29/546439229.db2.gz CRIFFFTVJDACLK-FQEVSTJZSA-N 1 0 316.489 3.326 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C2CSC2)cc1Br ZINC000309848144 546450778 /nfs/dbraw/zinc/45/07/78/546450778.db2.gz HQDRWPDOWGYFTL-MRVPVSSYSA-N 1 0 302.237 3.224 10 0 DGAERO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312606343 546453520 /nfs/dbraw/zinc/45/35/20/546453520.db2.gz RJMKYNDXRWLNAS-HYORBCNSSA-N 1 0 300.276 3.302 10 0 DGAERO Cc1cc(C[NH3+])cc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1 ZINC000333624844 546509297 /nfs/dbraw/zinc/50/92/97/546509297.db2.gz UVNWXPGPQSJBCJ-YEWFCNIMSA-N 1 0 313.445 3.354 10 0 DGAERO COc1cccc(C[NH2+]C2(CCOCc3ccccc3)CC2)n1 ZINC000359697640 546710661 /nfs/dbraw/zinc/71/06/61/546710661.db2.gz CHGLGDWORBXETH-UHFFFAOYSA-N 1 0 312.413 3.319 10 0 DGAERO COc1ccc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000381802871 546740692 /nfs/dbraw/zinc/74/06/92/546740692.db2.gz UVNVTFSZRTVLQA-RDJZCZTQSA-N 1 0 311.429 3.413 10 0 DGAERO CN(Cc1cccc(F)c1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390788605 546756024 /nfs/dbraw/zinc/75/60/24/546756024.db2.gz DLCHTVMGKQFUPX-QGZVFWFLSA-N 1 0 313.420 3.114 10 0 DGAERO CC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)CCC1 ZINC000390932356 546756358 /nfs/dbraw/zinc/75/63/58/546756358.db2.gz LKHSCNLYGUCLEE-GOSISDBHSA-N 1 0 302.462 3.057 10 0 DGAERO C[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCC[C@H](O)C1 ZINC000394113187 546760571 /nfs/dbraw/zinc/76/05/71/546760571.db2.gz NEGSNASOENJSDB-ZFWWWQNUSA-N 1 0 312.251 3.432 10 0 DGAERO COc1ccc(C[NH2+]C2(CCOCc3ccccc3)CC2)cn1 ZINC000436417722 546823633 /nfs/dbraw/zinc/82/36/33/546823633.db2.gz VXOLNWIRJIBEEV-UHFFFAOYSA-N 1 0 312.413 3.319 10 0 DGAERO COC[C@@H](CCO)[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000484136918 546912929 /nfs/dbraw/zinc/91/29/29/546912929.db2.gz RJGQKHOJKLDQKU-MOPGFXCFSA-N 1 0 305.462 3.165 10 0 DGAERO OCC1([C@H]([NH2+]Cc2cccc(F)c2)c2ccncc2)CCC1 ZINC000606444487 547040077 /nfs/dbraw/zinc/04/00/77/547040077.db2.gz WMRQXIITYBYKAI-QGZVFWFLSA-N 1 0 300.377 3.214 10 0 DGAERO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)C1=COCCC1 ZINC000730776571 574535583 /nfs/dbraw/zinc/53/55/83/574535583.db2.gz IFVDAFOCIFJWJS-GOSISDBHSA-N 1 0 314.429 3.024 10 0 DGAERO Fc1c(Br)cccc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000725269890 563575531 /nfs/dbraw/zinc/57/55/31/563575531.db2.gz RHSUTMSIGCFIRV-DGCLKSJQSA-N 1 0 314.198 3.103 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1c(F)cccc1F ZINC000675052724 563855281 /nfs/dbraw/zinc/85/52/81/563855281.db2.gz DEXCPAUDZOPDLA-ZWNOBZJWSA-N 1 0 312.360 3.364 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1c(F)cccc1F ZINC000675052721 563855564 /nfs/dbraw/zinc/85/55/64/563855564.db2.gz DEXCPAUDZOPDLA-GXFFZTMASA-N 1 0 312.360 3.364 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2ccc(F)c(F)c2)C1 ZINC000675052701 563855854 /nfs/dbraw/zinc/85/58/54/563855854.db2.gz CUDZJSOKBPNEED-SMDDNHRTSA-N 1 0 312.360 3.283 10 0 DGAERO CN1CC[C@H]([NH3+])C[C@H]1c1ccc(Br)c(Cl)c1 ZINC000675053125 563856548 /nfs/dbraw/zinc/85/65/48/563856548.db2.gz GFWOGRRHCBQUOE-CABZTGNLSA-N 1 0 303.631 3.197 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)c(F)c1 ZINC000675053647 563860705 /nfs/dbraw/zinc/86/07/05/563860705.db2.gz JVILABWGJBKQQF-BXUZGUMPSA-N 1 0 312.360 3.364 10 0 DGAERO C/C(=C\C(=O)NCC[N@@H+](C)C1CCCC1)c1cccc(F)c1 ZINC000732074765 574566027 /nfs/dbraw/zinc/56/60/27/574566027.db2.gz UJMQVOFWCHJMIT-WYMLVPIESA-N 1 0 304.409 3.220 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1cccc(F)c1 ZINC000732280931 574570404 /nfs/dbraw/zinc/57/04/04/574570404.db2.gz JVTZRVBKEIYVJI-IDKBZEPQSA-N 1 0 304.409 3.218 10 0 DGAERO CC(C)[NH+]1CCN(C(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC000735582465 574706776 /nfs/dbraw/zinc/70/67/76/574706776.db2.gz IXICMINHRGNGET-UHFFFAOYSA-N 1 0 321.509 3.471 10 0 DGAERO CC[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000738311714 574865688 /nfs/dbraw/zinc/86/56/88/574865688.db2.gz JKMQBNBQTBHHAK-MSOLQXFVSA-N 1 0 322.468 3.301 10 0 DGAERO CC(C)n1c(N(C)C)nn(CN2CCC[C@@H](C)CC2)c1=S ZINC000728900067 575192673 /nfs/dbraw/zinc/19/26/73/575192673.db2.gz BJQHWIRTAXDMTN-CYBMUJFWSA-N 1 0 311.499 3.140 10 0 DGAERO C[C@H](C(=O)OCCOc1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741023844 574948639 /nfs/dbraw/zinc/94/86/39/574948639.db2.gz XZNGWTCCDUIVGK-HZSPNIEDSA-N 1 0 309.381 3.009 10 0 DGAERO C[C@@H](C(=O)OCCOc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000741023845 574949004 /nfs/dbraw/zinc/94/90/04/574949004.db2.gz XZNGWTCCDUIVGK-MCIONIFRSA-N 1 0 309.381 3.009 10 0 DGAERO C/C(=C/C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000742309655 574989995 /nfs/dbraw/zinc/98/99/95/574989995.db2.gz HJRHVOWZUNOVNL-PLFFATQSSA-N 1 0 304.409 3.220 10 0 DGAERO C[C@@H]1CCN(C(=S)NC2CC[NH+](C)CC2)[C@H](c2ccco2)C1 ZINC000743067018 575034223 /nfs/dbraw/zinc/03/42/23/575034223.db2.gz QKKWATJMWRYSJZ-HIFRSBDPSA-N 1 0 321.490 3.021 10 0 DGAERO COc1ccc(C[NH2+]CC[C@@H]2CCCO2)c(Br)c1 ZINC000310684978 575934071 /nfs/dbraw/zinc/93/40/71/575934071.db2.gz OIEQIZLPDZXYER-LBPRGKRZSA-N 1 0 314.223 3.116 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Br)ccc1F ZINC000393970975 575936151 /nfs/dbraw/zinc/93/61/51/575936151.db2.gz MMGOAAZBHXCALD-RKDXNWHRSA-N 1 0 304.203 3.398 10 0 DGAERO c1cc(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)co1 ZINC000727469704 576127999 /nfs/dbraw/zinc/12/79/99/576127999.db2.gz CEEWXMZBZNCWPZ-KRWDZBQOSA-N 1 0 305.381 3.384 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1 ZINC000727829772 576148548 /nfs/dbraw/zinc/14/85/48/576148548.db2.gz NBMMNQDHSGSJFB-IBGZPJMESA-N 1 0 315.413 3.043 10 0 DGAERO COCCc1noc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000154367264 620665557 /nfs/dbraw/zinc/66/55/57/620665557.db2.gz DSDDJRFZCITJNY-ZDUSSCGKSA-N 1 0 317.433 3.407 10 0 DGAERO c1nn(-c2ccccc2)nc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000111398765 620706797 /nfs/dbraw/zinc/70/67/97/620706797.db2.gz DCDHJUZJXXXKBQ-VQIMIIECSA-N 1 0 304.397 3.161 10 0 DGAERO C[C@](O)(C[N@@H+]1CCO[C@](C)(c2ccccc2)C1)c1ccccc1 ZINC000121273110 617941643 /nfs/dbraw/zinc/94/16/43/617941643.db2.gz LZUXUKFVTPMMJV-PMACEKPBSA-N 1 0 311.425 3.142 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ncc[nH]2)c(C)c1 ZINC000888078097 618016577 /nfs/dbraw/zinc/01/65/77/618016577.db2.gz OPCFOCKESHWNHP-GRDNDAEWSA-N 1 0 315.417 3.155 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1coc2ccccc12 ZINC000121280558 618580998 /nfs/dbraw/zinc/58/09/98/618580998.db2.gz VTAGEKXRHOMQPK-UHFFFAOYSA-N 1 0 304.390 3.437 10 0 DGAERO CN(CC1CCCC1)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000129047441 625426896 /nfs/dbraw/zinc/42/68/96/625426896.db2.gz IJACHEJWLUEWSX-UHFFFAOYSA-N 1 0 315.392 3.129 10 0 DGAERO O=C(N(Cc1ccccc1)C1CCCCC1)[C@@]1(F)CC[NH2+]C1 ZINC000151881116 620478502 /nfs/dbraw/zinc/47/85/02/620478502.db2.gz QLBRPSBKWMPBDA-GOSISDBHSA-N 1 0 304.409 3.050 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(N(C)C)c(Cl)c2)C1 ZINC000153852906 620618050 /nfs/dbraw/zinc/61/80/50/620618050.db2.gz WWNYVYHAMYRXHV-CYBMUJFWSA-N 1 0 324.856 3.012 10 0 DGAERO Cn1cccc1C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989919 621071283 /nfs/dbraw/zinc/07/12/83/621071283.db2.gz WKXKYVKIYLDICZ-KRWDZBQOSA-N 1 0 312.413 3.094 10 0 DGAERO COc1ccsc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117094427 621351377 /nfs/dbraw/zinc/35/13/77/621351377.db2.gz PNFPBRZCBXORCE-CQSZACIVSA-N 1 0 317.410 3.188 10 0 DGAERO Cc1nc(C)c(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000117092951 621351664 /nfs/dbraw/zinc/35/16/64/621351664.db2.gz GEWSENOXUBEZOY-OAHLLOKOSA-N 1 0 316.426 3.191 10 0 DGAERO OC1(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCCCC1 ZINC000117432402 621397654 /nfs/dbraw/zinc/39/76/54/621397654.db2.gz DGSSVPADYVTOOJ-UHFFFAOYSA-N 1 0 319.289 3.498 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CSC(C)(C)C ZINC000120055650 621768661 /nfs/dbraw/zinc/76/86/61/621768661.db2.gz XIOMRQSTPFURIW-ZBFHGGJFSA-N 1 0 320.502 3.155 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000120574671 621929892 /nfs/dbraw/zinc/92/98/92/621929892.db2.gz JHWCKJOGZKVBTJ-QWRGUYRKSA-N 1 0 306.841 3.367 10 0 DGAERO Cc1ncsc1C(=O)OCCC[N@@H+](C)Cc1ccccc1 ZINC000129533761 625674472 /nfs/dbraw/zinc/67/44/72/625674472.db2.gz VLXGFYXQZMKZLG-UHFFFAOYSA-N 1 0 304.415 3.130 10 0 DGAERO CCc1ncc(C(=O)OCCC[N@H+](C)Cc2ccccc2)s1 ZINC000129534971 625674512 /nfs/dbraw/zinc/67/45/12/625674512.db2.gz WJHZULYHEMKMIL-UHFFFAOYSA-N 1 0 318.442 3.384 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000126746640 624064690 /nfs/dbraw/zinc/06/46/90/624064690.db2.gz GDPDOFGMFHDIBK-CZUORRHYSA-N 1 0 309.475 3.212 10 0 DGAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127427657 624392805 /nfs/dbraw/zinc/39/28/05/624392805.db2.gz ABJUOVTZYOVDJB-OLZOCXBDSA-N 1 0 302.187 3.245 10 0 DGAERO COCCCOCC[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000129678348 625723236 /nfs/dbraw/zinc/72/32/36/625723236.db2.gz FHFITCFBVPBWNI-UHFFFAOYSA-N 1 0 322.836 3.373 10 0 DGAERO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000130384193 625844563 /nfs/dbraw/zinc/84/45/63/625844563.db2.gz JUSUVNRUAHYNDJ-YBTHPKLGSA-N 1 0 310.850 3.087 10 0 DGAERO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCSC1 ZINC000131452229 626640294 /nfs/dbraw/zinc/64/02/94/626640294.db2.gz SUMCSAATIXTHRQ-UONOGXRCSA-N 1 0 316.511 3.411 10 0 DGAERO C[C@@H]1SCC[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000220649898 627203953 /nfs/dbraw/zinc/20/39/53/627203953.db2.gz PXKFNZPVJMFWET-MELADBBJSA-N 1 0 314.495 3.117 10 0 DGAERO Cc1cnc([C@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)o1 ZINC000220944444 627212315 /nfs/dbraw/zinc/21/23/15/627212315.db2.gz PGQZXWNZARNOLE-HSBZDZAISA-N 1 0 323.437 3.470 10 0 DGAERO CC(C)(C)OC(=O)NC1(C[NH2+]CCc2ccccc2)CCC1 ZINC000221267601 627217134 /nfs/dbraw/zinc/21/71/34/627217134.db2.gz QFAUKFMJNCAFLK-UHFFFAOYSA-N 1 0 304.434 3.266 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC000221259142 627217199 /nfs/dbraw/zinc/21/71/99/627217199.db2.gz KDFGGSHWKPVMJN-INIZCTEOSA-N 1 0 304.434 3.122 10 0 DGAERO COc1ccc(C)cc1C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000222085006 627234284 /nfs/dbraw/zinc/23/42/84/627234284.db2.gz SMINZTXGOLPNTL-CQSZACIVSA-N 1 0 322.449 3.397 10 0 DGAERO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000300053083 627252938 /nfs/dbraw/zinc/25/29/38/627252938.db2.gz MGDWDNGYLLFYAG-ZNMIVQPWSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCOc2ccccc21 ZINC000223127926 627279300 /nfs/dbraw/zinc/27/93/00/627279300.db2.gz PVNNGCRLDBAICC-AWEZNQCLSA-N 1 0 306.406 3.015 10 0 DGAERO Cc1sc(C[NH2+][C@H]2CCOC[C@H]2C)cc1Br ZINC000301041549 627286414 /nfs/dbraw/zinc/28/64/14/627286414.db2.gz WOSYMXSGPJHRQX-PELKAZGASA-N 1 0 304.253 3.334 10 0 DGAERO C[C@H]([NH3+])CCc1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000104054690 630376382 /nfs/dbraw/zinc/37/63/82/630376382.db2.gz QJLDPTPPBLQXFC-QMMMGPOBSA-N 1 0 300.189 3.247 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC000105433691 630710145 /nfs/dbraw/zinc/71/01/45/630710145.db2.gz VHLFCEJYDRFUAV-UHFFFAOYSA-N 1 0 304.390 3.437 10 0 DGAERO CCC[N@H+](C[C@H](O)c1ccc(F)cc1F)C[C@@H]1CCCCO1 ZINC000106866322 631476943 /nfs/dbraw/zinc/47/69/43/631476943.db2.gz TYOYKPOMYJVLML-YOEHRIQHSA-N 1 0 313.388 3.279 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccc(F)cn1 ZINC000721923007 660443062 /nfs/dbraw/zinc/44/30/62/660443062.db2.gz DCRSFCJOLLZVJQ-LALPHHSUSA-N 1 0 323.412 3.127 10 0 DGAERO c1csc([C@H]2C[C@H]([NH2+][C@H]3CCCc4n[nH]cc43)CCO2)c1 ZINC000453418146 660489875 /nfs/dbraw/zinc/48/98/75/660489875.db2.gz IZKXSRMIAYGSSQ-OSAQELSMSA-N 1 0 303.431 3.359 10 0 DGAERO C[C@@H]([NH2+]CCS(=O)(=O)C1CCCCC1)C1CCCCC1 ZINC000700006150 660608867 /nfs/dbraw/zinc/60/88/67/660608867.db2.gz MQRBMHJDCXCXSA-CQSZACIVSA-N 1 0 301.496 3.292 10 0 DGAERO C[C@H]1CC[C@@H](NC(=O)c2sc3ccccc3c2Cl)C[NH2+]1 ZINC000700335313 660621561 /nfs/dbraw/zinc/62/15/61/660621561.db2.gz OQIBUUJUJICZAE-VHSXEESVSA-N 1 0 308.834 3.425 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000700349405 660621658 /nfs/dbraw/zinc/62/16/58/660621658.db2.gz VTXBCNQYAQNNKX-ONGXEEELSA-N 1 0 308.834 3.283 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC000700733251 660634335 /nfs/dbraw/zinc/63/43/35/660634335.db2.gz XIMCZZZBYRQBOE-DOMZBBRYSA-N 1 0 308.397 3.313 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000702395896 660722258 /nfs/dbraw/zinc/72/22/58/660722258.db2.gz YTGRMPBWBNTDCB-YNEHKIRRSA-N 1 0 305.365 3.222 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988297 660752289 /nfs/dbraw/zinc/75/22/89/660752289.db2.gz MFEDBZHZOQSAHF-IHJVYAAUSA-N 1 0 316.489 3.180 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000702894063 660746930 /nfs/dbraw/zinc/74/69/30/660746930.db2.gz CFQCLNVSQGZQEZ-QGZVFWFLSA-N 1 0 303.446 3.388 10 0 DGAERO CCN(CCC[NH2+]Cc1ccnc(C)c1)C(=O)OC(C)(C)C ZINC000703501786 660779824 /nfs/dbraw/zinc/77/98/24/660779824.db2.gz CMBOZVRNFLLNIF-UHFFFAOYSA-N 1 0 307.438 3.127 10 0 DGAERO CC1(C)CCCC[C@@H]1[NH2+]CCS(=O)(=O)C1CCCCC1 ZINC000704181608 660804864 /nfs/dbraw/zinc/80/48/64/660804864.db2.gz RCBODSIADMHJTO-HNNXBMFYSA-N 1 0 301.496 3.292 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)OC(C)(C)C ZINC000704370219 660808604 /nfs/dbraw/zinc/80/86/04/660808604.db2.gz YWAPDEJYUCOEEP-LLVKDONJSA-N 1 0 313.829 3.128 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@H]2CCCSC2)CCN1C(=O)OC(C)(C)C ZINC000704618817 660813177 /nfs/dbraw/zinc/81/31/77/660813177.db2.gz CASOVSDTFMSVEQ-MELADBBJSA-N 1 0 314.495 3.260 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]C[C@H]2CCSC2)CCN1C(=O)OC(C)(C)C ZINC000704620002 660813563 /nfs/dbraw/zinc/81/35/63/660813563.db2.gz HOZHKZGUDKOBQC-HZSPNIEDSA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000704893880 660825825 /nfs/dbraw/zinc/82/58/25/660825825.db2.gz ZTEWUCSCHXFOON-CYBMUJFWSA-N 1 0 314.495 3.119 10 0 DGAERO Cc1ncccc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000705530899 660837730 /nfs/dbraw/zinc/83/77/30/660837730.db2.gz QVSOFONHXZHIHW-ZBFHGGJFSA-N 1 0 319.449 3.125 10 0 DGAERO C[N@@H+]1C[C@@]2(C)CN(Cc3ccc(Cl)nc3Cl)C[C@@]2(C)C1 ZINC000706237919 660850762 /nfs/dbraw/zinc/85/07/62/660850762.db2.gz QSNHKPGCAKZGNK-GASCZTMLSA-N 1 0 314.260 3.162 10 0 DGAERO CCC(CC)C[NH2+]C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000707889062 660915345 /nfs/dbraw/zinc/91/53/45/660915345.db2.gz IACIHIJYJKFNEO-UHFFFAOYSA-N 1 0 314.470 3.086 10 0 DGAERO CS[C@@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707917108 660915673 /nfs/dbraw/zinc/91/56/73/660915673.db2.gz MHMFETSDWCIMQH-XUXIUFHCSA-N 1 0 314.495 3.116 10 0 DGAERO CC1(C)CO[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000708401640 660920940 /nfs/dbraw/zinc/92/09/40/660920940.db2.gz ZXZQJKTXBGGKJO-SFHVURJKSA-N 1 0 302.462 3.056 10 0 DGAERO COc1ccc(C[NH2+]CCc2ccns2)c(Cl)c1OC ZINC000709880955 660931015 /nfs/dbraw/zinc/93/10/15/660931015.db2.gz NBUWVGDEYUNPNX-UHFFFAOYSA-N 1 0 312.822 3.146 10 0 DGAERO C[C@@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn(C)cn1 ZINC000710009848 660931585 /nfs/dbraw/zinc/93/15/85/660931585.db2.gz AXEZBOAHCITAED-VQIMIIECSA-N 1 0 312.461 3.125 10 0 DGAERO Cc1c(F)ncnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000710148907 660932155 /nfs/dbraw/zinc/93/21/55/660932155.db2.gz VHDRWSHKAIAXQQ-CQSZACIVSA-N 1 0 314.408 3.025 10 0 DGAERO CCc1ccc([C@@H](C)N2CCc3sc(C[NH3+])nc3C2)s1 ZINC000710239261 660932723 /nfs/dbraw/zinc/93/27/23/660932723.db2.gz LVDWQPZKXMQCNK-SNVBAGLBSA-N 1 0 307.488 3.345 10 0 DGAERO C[C@@H](c1ccc(Cl)s1)N1CCc2sc(C[NH3+])nc2C1 ZINC000710166746 660932786 /nfs/dbraw/zinc/93/27/86/660932786.db2.gz KSCBWWQBMTXCKS-QMMMGPOBSA-N 1 0 313.879 3.436 10 0 DGAERO C[NH+](C)Cc1cccc(NCC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000710947724 660938843 /nfs/dbraw/zinc/93/88/43/660938843.db2.gz ANHSWZBTKGNGFT-UHFFFAOYSA-N 1 0 319.449 3.027 10 0 DGAERO COC1(OC)CC[C@@H]1[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000710961715 660938898 /nfs/dbraw/zinc/93/88/98/660938898.db2.gz QCARQUJVJBMEDN-MFKMUULPSA-N 1 0 314.223 3.251 10 0 DGAERO COC1(OC)CC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000710985656 660939199 /nfs/dbraw/zinc/93/91/99/660939199.db2.gz BZEHKNMUCCSWSU-KRWDZBQOSA-N 1 0 319.445 3.115 10 0 DGAERO Cc1cc(C)c(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)cn1 ZINC000711475276 660954381 /nfs/dbraw/zinc/95/43/81/660954381.db2.gz IYMZZNXCABZZCS-UHFFFAOYSA-N 1 0 319.449 3.091 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000711408305 660950779 /nfs/dbraw/zinc/95/07/79/660950779.db2.gz ZWJICFZFUMIZOT-HNNXBMFYSA-N 1 0 324.465 3.077 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCC2(F)CCC2)C1 ZINC000711418693 660951503 /nfs/dbraw/zinc/95/15/03/660951503.db2.gz MSNFEOFNELLATG-BETUJISGSA-N 1 0 300.418 3.162 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000711425231 660951561 /nfs/dbraw/zinc/95/15/61/660951561.db2.gz MRKJKWIQKUATST-MOQPWLNLSA-N 1 0 308.466 3.458 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cccnc3)CCC[C@@H]12 ZINC000711637610 660959970 /nfs/dbraw/zinc/95/99/70/660959970.db2.gz BARHSYPVNWXZMF-CRAIPNDOSA-N 1 0 317.433 3.103 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3ccoc3)CCC[C@H]12 ZINC000711628276 660959992 /nfs/dbraw/zinc/95/99/92/660959992.db2.gz XCCMMYIYLOYTDE-YOEHRIQHSA-N 1 0 306.406 3.301 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3ccncc3)CCC[C@@H]12 ZINC000711637725 660960353 /nfs/dbraw/zinc/96/03/53/660960353.db2.gz CACJJPMETOAVDN-QAPCUYQASA-N 1 0 317.433 3.103 10 0 DGAERO C[N@H+](CCNC(=O)/C=C\c1ccnc2ccccc12)C1CCCC1 ZINC000255077719 655592618 /nfs/dbraw/zinc/59/26/18/655592618.db2.gz RYYFRSQKKAIENU-KHPPLWFESA-N 1 0 323.440 3.239 10 0 DGAERO CSc1cc(Br)ccc1C[NH2+][C@H](C)[C@H](C)O ZINC000336688145 655602770 /nfs/dbraw/zinc/60/27/70/655602770.db2.gz JOACBIMZKGUQDN-BDAKNGLRSA-N 1 0 304.253 3.030 10 0 DGAERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000079605624 655611128 /nfs/dbraw/zinc/61/11/28/655611128.db2.gz VOMRCVOMMIATSV-SECBINFHSA-N 1 0 309.353 3.396 10 0 DGAERO Nc1ncc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000261722942 655666009 /nfs/dbraw/zinc/66/60/09/655666009.db2.gz XABMXOWAKXZWMM-JTQLQIEISA-N 1 0 305.369 3.280 10 0 DGAERO Nc1cc(Cl)c(Cl)c(C(=O)OCC[NH+]2CCCCC2)c1 ZINC000723454477 655696260 /nfs/dbraw/zinc/69/62/60/655696260.db2.gz DURZRXOEAILGBV-UHFFFAOYSA-N 1 0 317.216 3.218 10 0 DGAERO COc1ccccc1NC(=O)CSCC[NH+](C(C)C)C(C)C ZINC000161020925 655711890 /nfs/dbraw/zinc/71/18/90/655711890.db2.gz KZDMYBWKHYQURA-UHFFFAOYSA-N 1 0 324.490 3.486 10 0 DGAERO CCCCNC(=[NH2+])NCc1ccc(-c2ccccc2C#N)cc1 ZINC000090989650 655731433 /nfs/dbraw/zinc/73/14/33/655731433.db2.gz MMWLAUWHDXSRCF-UHFFFAOYSA-N 1 0 306.413 3.430 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc(Br)cn1)[C@H]1CCCOC1 ZINC000724005952 655735367 /nfs/dbraw/zinc/73/53/67/655735367.db2.gz BFFRMRKCADPXOB-FZMZJTMJSA-N 1 0 313.239 3.139 10 0 DGAERO C[C@@](O)(C[NH2+]C1(C2CCC2)CCC1)C(F)(F)C(F)(F)F ZINC000724074943 655740176 /nfs/dbraw/zinc/74/01/76/655740176.db2.gz RXBQAZGLAFIDOL-SNVBAGLBSA-N 1 0 301.299 3.247 10 0 DGAERO C[C@](O)(C[NH2+]C1(C2CCC2)CCC1)C(F)(F)C(F)(F)F ZINC000724074942 655740235 /nfs/dbraw/zinc/74/02/35/655740235.db2.gz RXBQAZGLAFIDOL-JTQLQIEISA-N 1 0 301.299 3.247 10 0 DGAERO CCSCC[C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724112798 655742917 /nfs/dbraw/zinc/74/29/17/655742917.db2.gz ZOXYTRBRSKYDMQ-RKDXNWHRSA-N 1 0 309.344 3.056 10 0 DGAERO C[C@](O)(C[NH2+][C@@H](C1CC1)C1CCC1)C(F)(F)C(F)(F)F ZINC000724114565 655744030 /nfs/dbraw/zinc/74/40/30/655744030.db2.gz FDJBHELLUXYRPJ-MNOVXSKESA-N 1 0 301.299 3.103 10 0 DGAERO C[C@@](O)(C[NH2+]CC1(C2CC2)CCC1)C(F)(F)C(F)(F)F ZINC000724114604 655744069 /nfs/dbraw/zinc/74/40/69/655744069.db2.gz NSJNSJMZHYIRSG-SNVBAGLBSA-N 1 0 301.299 3.105 10 0 DGAERO COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000724122381 655745577 /nfs/dbraw/zinc/74/55/77/655745577.db2.gz SRLGGRYOBYEEIJ-GXTWGEPZSA-N 1 0 314.223 3.067 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)s1 ZINC000724313457 655754143 /nfs/dbraw/zinc/75/41/43/655754143.db2.gz BTYSQNFXZYRLID-CRMUJIHISA-N 1 0 313.488 3.069 10 0 DGAERO Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(C)s1 ZINC000724314870 655754369 /nfs/dbraw/zinc/75/43/69/655754369.db2.gz RCTPIEPCZZPCSF-NDNKKMJESA-N 1 0 313.488 3.124 10 0 DGAERO C[C@H](C[NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1F ZINC000161577160 655806507 /nfs/dbraw/zinc/80/65/07/655806507.db2.gz OSATXIROQSCJGL-GFCCVEGCSA-N 1 0 311.372 3.344 10 0 DGAERO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cn(C)nc1Br ZINC000712468795 661188588 /nfs/dbraw/zinc/18/85/88/661188588.db2.gz CRXQENCZKKWHDY-WDEREUQCSA-N 1 0 300.244 3.099 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000712440113 661188603 /nfs/dbraw/zinc/18/86/03/661188603.db2.gz UHILAWDVDFTGLT-ARKGTOAJSA-N 1 0 308.466 3.458 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2Br)[C@H](C)C1 ZINC000712470533 661188605 /nfs/dbraw/zinc/18/86/05/661188605.db2.gz LWOIPVWCWIJQLX-CKYFFXLPSA-N 1 0 300.244 3.097 10 0 DGAERO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000712571578 661189391 /nfs/dbraw/zinc/18/93/91/661189391.db2.gz JMCTYOARHFNMGV-VHSXEESVSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@@H]([NH2+]CCc1sccc1Br)[C@@H]1CCCO1 ZINC000713082880 661190317 /nfs/dbraw/zinc/19/03/17/661190317.db2.gz WAJIYLZFSSUHTF-KOLCDFICSA-N 1 0 304.253 3.210 10 0 DGAERO Brc1ccsc1CC[NH2+]C[C@H]1CCC=CO1 ZINC000713081924 661190319 /nfs/dbraw/zinc/19/03/19/661190319.db2.gz OXWXVQMZWVGDAA-SNVBAGLBSA-N 1 0 302.237 3.335 10 0 DGAERO Brc1cc(CN2CC[NH2+]CCC23CCC3)cs1 ZINC000713170699 661190515 /nfs/dbraw/zinc/19/05/15/661190515.db2.gz VLLOSTPNVPWJGZ-UHFFFAOYSA-N 1 0 315.280 3.229 10 0 DGAERO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cn(C)nc1Br ZINC000713860514 661194998 /nfs/dbraw/zinc/19/49/98/661194998.db2.gz QDEAXOPLKKGDJM-JQWIXIFHSA-N 1 0 300.244 3.193 10 0 DGAERO COCC1CC([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000713976370 661195631 /nfs/dbraw/zinc/19/56/31/661195631.db2.gz DUGIXSQKPNNQDU-UHFFFAOYSA-N 1 0 302.187 3.103 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000309665714 655871359 /nfs/dbraw/zinc/87/13/59/655871359.db2.gz PGUJPAIVWWEFKX-MOPGFXCFSA-N 1 0 314.473 3.342 10 0 DGAERO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc(Cl)c1Cl ZINC000714250679 661198188 /nfs/dbraw/zinc/19/81/88/661198188.db2.gz PDBGHEJRSBIRFJ-OPRDCNLKSA-N 1 0 322.257 3.220 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccc(Cl)s1 ZINC000177025303 655887285 /nfs/dbraw/zinc/88/72/85/655887285.db2.gz QBJDHNRNAQUNRN-YPUOHESYSA-N 1 0 312.866 3.357 10 0 DGAERO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000179346653 655889556 /nfs/dbraw/zinc/88/95/56/655889556.db2.gz ZEWABDIIOFYODI-XJKSGUPXSA-N 1 0 311.385 3.272 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000177044432 655890662 /nfs/dbraw/zinc/89/06/62/655890662.db2.gz GAOHOTPLMCCIMA-UHFFFAOYSA-N 1 0 310.376 3.081 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C(C)=C\c1ccc(F)cc1 ZINC000255838638 655910696 /nfs/dbraw/zinc/91/06/96/655910696.db2.gz XQKBEKRTHOYHCO-BHEFUSTPSA-N 1 0 304.409 3.172 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)Cn1ccc(C(F)(F)F)n1 ZINC000065941940 655920667 /nfs/dbraw/zinc/92/06/67/655920667.db2.gz VIOXNVFZSMFKJW-UHFFFAOYSA-N 1 0 301.287 3.173 10 0 DGAERO Cc1csc([C@@H]2CCCN(CN3C(=O)C(C)(C)C3(C)C)C2)n1 ZINC000177685228 655940013 /nfs/dbraw/zinc/94/00/13/655940013.db2.gz PMRLHYWICUGQGG-CYBMUJFWSA-N 1 0 321.490 3.235 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]CCOC1CC1)CCO2 ZINC000714999289 661206445 /nfs/dbraw/zinc/20/64/45/661206445.db2.gz DOIAMYGGHLWFRM-CYBMUJFWSA-N 1 0 312.207 3.041 10 0 DGAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccc(F)cn1 ZINC000715095103 661208413 /nfs/dbraw/zinc/20/84/13/661208413.db2.gz CZHSCNKJPPRVPT-DCBWTQNWSA-N 1 0 323.412 3.175 10 0 DGAERO CC1CCN(c2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000180980335 656011437 /nfs/dbraw/zinc/01/14/37/656011437.db2.gz OACUSBZDYJRBAB-LJQANCHMSA-N 1 0 315.461 3.394 10 0 DGAERO O[C@]1(C(F)(F)F)CCC[N@H+](CCSC(F)(F)F)CC1 ZINC000311861214 656017625 /nfs/dbraw/zinc/01/76/25/656017625.db2.gz QOLLATWMNVEXNM-MRVPVSSYSA-N 1 0 311.291 3.019 10 0 DGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000037099839 661215255 /nfs/dbraw/zinc/21/52/55/661215255.db2.gz SRLWXEWVSZOXGR-OLZOCXBDSA-N 1 0 307.356 3.383 10 0 DGAERO Cc1ncccc1C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178319102 656051419 /nfs/dbraw/zinc/05/14/19/656051419.db2.gz ZUYRXXSBBFWHFD-UHFFFAOYSA-N 1 0 324.424 3.459 10 0 DGAERO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000309801690 656057989 /nfs/dbraw/zinc/05/79/89/656057989.db2.gz JZQXQPQALQRWLL-DCAQKATOSA-N 1 0 311.426 3.244 10 0 DGAERO c1ccc(CN2CC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000716180158 661219796 /nfs/dbraw/zinc/21/97/96/661219796.db2.gz UYWUKIJQHWSBFB-KCBNDJSGSA-N 1 0 302.487 3.277 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000309870866 656091972 /nfs/dbraw/zinc/09/19/72/656091972.db2.gz REPGFRUYUJGDGQ-BFHYXJOUSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@H](NC(=O)CSC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181515668 656099469 /nfs/dbraw/zinc/09/94/69/656099469.db2.gz FIMWDAPLUPRCEM-KBPBESRZSA-N 1 0 312.523 3.287 10 0 DGAERO C[C@@H](NC(=O)CSC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181515647 656099716 /nfs/dbraw/zinc/09/97/16/656099716.db2.gz FIMWDAPLUPRCEM-ZIAGYGMSSA-N 1 0 312.523 3.287 10 0 DGAERO CCCCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182357029 656105228 /nfs/dbraw/zinc/10/52/28/656105228.db2.gz WYKPZECRKCTPBO-GDBMZVCRSA-N 1 0 320.481 3.172 10 0 DGAERO Cc1cc(-c2noc(CC[C@@H](C)[NH3+])n2)cc(C)c1Br ZINC000228363502 656107468 /nfs/dbraw/zinc/10/74/68/656107468.db2.gz AOOBFTMDIJRFBU-SNVBAGLBSA-N 1 0 324.222 3.396 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000183126863 656110827 /nfs/dbraw/zinc/11/08/27/656110827.db2.gz WQMPKERKKGROMN-NCOADZHNSA-N 1 0 307.434 3.230 10 0 DGAERO CCOCCCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183181660 656111116 /nfs/dbraw/zinc/11/11/16/656111116.db2.gz FRWNLLVKHMCKBK-KRWDZBQOSA-N 1 0 305.418 3.011 10 0 DGAERO CC[C@H](C)OCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183184212 656111285 /nfs/dbraw/zinc/11/12/85/656111285.db2.gz IMDCFBYJNUHELN-RDJZCZTQSA-N 1 0 305.418 3.009 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716655112 661226247 /nfs/dbraw/zinc/22/62/47/661226247.db2.gz BABASUJQGAEFNS-LGFJLYTPSA-N 1 0 308.466 3.171 10 0 DGAERO CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000309902622 656125765 /nfs/dbraw/zinc/12/57/65/656125765.db2.gz PIKDMBHGYMVRRD-KBPBESRZSA-N 1 0 322.449 3.477 10 0 DGAERO C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000716606687 661227125 /nfs/dbraw/zinc/22/71/25/661227125.db2.gz ZMMFXWJQTCIYQU-VIFPVBQESA-N 1 0 301.217 3.111 10 0 DGAERO CCn1ccnc1CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716699230 661227340 /nfs/dbraw/zinc/22/73/40/661227340.db2.gz LQRVPIQIJXJPIR-OTWHNJEPSA-N 1 0 324.472 3.046 10 0 DGAERO NC(=O)C1CC([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000716755530 661228567 /nfs/dbraw/zinc/22/85/67/661228567.db2.gz MZPTXXOQKZZJSC-UHFFFAOYSA-N 1 0 307.608 3.000 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(Br)ccc1F ZINC000716884046 661230056 /nfs/dbraw/zinc/23/00/56/661230056.db2.gz HHSSPDHUCXMSPC-CABZTGNLSA-N 1 0 304.203 3.227 10 0 DGAERO [NH3+][C@@H]1CN(c2ncc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000716986290 661236730 /nfs/dbraw/zinc/23/67/30/661236730.db2.gz MBZFMTXGWMNLGE-IONNQARKSA-N 1 0 314.138 3.104 10 0 DGAERO FC(F)(F)c1cc(Cl)nc(N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000299904760 656227318 /nfs/dbraw/zinc/22/73/18/656227318.db2.gz MTCDIVFPXMNGOH-JTQLQIEISA-N 1 0 305.731 3.038 10 0 DGAERO [NH3+][C@@H]1CN(Cc2cc(F)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000717149656 661255810 /nfs/dbraw/zinc/25/58/10/661255810.db2.gz LEQNGELRYBVQGJ-VXGBXAGGSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000717153424 661255816 /nfs/dbraw/zinc/25/58/16/661255816.db2.gz LWGWVSCNLYPIGP-SKDRFNHKSA-N 1 0 310.722 3.191 10 0 DGAERO OC[C@@H]([NH2+]C1CC(c2ccc(Br)cc2)C1)C1CCC1 ZINC000717615690 661266190 /nfs/dbraw/zinc/26/61/90/661266190.db2.gz JSTBHVVROQCOPD-AVVWSFFYSA-N 1 0 324.262 3.446 10 0 DGAERO C[C@H]([NH2+]Cc1ccnc(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000181889448 656484425 /nfs/dbraw/zinc/48/44/25/656484425.db2.gz WKJDGIAMXOFMNN-LBPRGKRZSA-N 1 0 313.792 3.167 10 0 DGAERO CC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCCOC1 ZINC000723952345 656504593 /nfs/dbraw/zinc/50/45/93/656504593.db2.gz QVKOVOSDVYUNJF-MOPGFXCFSA-N 1 0 313.445 3.226 10 0 DGAERO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000723954208 656505053 /nfs/dbraw/zinc/50/50/53/656505053.db2.gz XENDNMQFPSDPDS-AFYVEPGGSA-N 1 0 316.489 3.444 10 0 DGAERO Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000724017125 656505279 /nfs/dbraw/zinc/50/52/79/656505279.db2.gz ODYWKKKWABDMSZ-LSDHHAIUSA-N 1 0 319.449 3.173 10 0 DGAERO CC(C)O[C@@]1(C[NH2+]Cc2cccc(Cl)c2F)CCOC1 ZINC000722356878 656509517 /nfs/dbraw/zinc/50/95/17/656509517.db2.gz LKNNZAXTTKWKGQ-OAHLLOKOSA-N 1 0 301.789 3.153 10 0 DGAERO C[C@@H](NCc1cc(Br)ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000722376626 656614915 /nfs/dbraw/zinc/61/49/15/656614915.db2.gz JAQRMWDZMDUDCN-NXEZZACHSA-N 1 0 317.658 3.190 10 0 DGAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000178531188 656653195 /nfs/dbraw/zinc/65/31/95/656653195.db2.gz LKOCRCYDAIEUOK-RDJZCZTQSA-N 1 0 319.445 3.000 10 0 DGAERO CC(C)(C)SCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000074102655 656669297 /nfs/dbraw/zinc/66/92/97/656669297.db2.gz QQSRQGNLOOXBSL-INIZCTEOSA-N 1 0 320.502 3.471 10 0 DGAERO CC(C)(C)[C@H]([NH3+])Cc1nc(CSc2ccc(F)cc2)no1 ZINC000097331203 656943491 /nfs/dbraw/zinc/94/34/91/656943491.db2.gz PZEWJKNPWJSTNF-GFCCVEGCSA-N 1 0 309.410 3.417 10 0 DGAERO c1c2ccccc2sc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261674185 656960579 /nfs/dbraw/zinc/96/05/79/656960579.db2.gz JIWWJJCUPUFTFU-KRWDZBQOSA-N 1 0 309.438 3.443 10 0 DGAERO C/C(=C\C(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(F)c1 ZINC000178760479 657041054 /nfs/dbraw/zinc/04/10/54/657041054.db2.gz DASYPEIKHXEAKV-SDNWHVSQSA-N 1 0 318.436 3.466 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000261977925 657269797 /nfs/dbraw/zinc/26/97/97/657269797.db2.gz IYFYFZPTXXFRPP-UHFFFAOYSA-N 1 0 308.347 3.107 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000049183574 657359023 /nfs/dbraw/zinc/35/90/23/657359023.db2.gz WXOSYDYGJFEKEW-LBPRGKRZSA-N 1 0 304.415 3.354 10 0 DGAERO COc1ccccc1/C=C\CN1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000096698241 657552415 /nfs/dbraw/zinc/55/24/15/657552415.db2.gz CPPZMAHGBWDCRC-BSDKJSHOSA-N 1 0 300.446 3.267 10 0 DGAERO [NH3+][C@@H]1CC[C@H](c2nc(Cc3cccc(Br)c3)no2)C1 ZINC000097067882 657591569 /nfs/dbraw/zinc/59/15/69/657591569.db2.gz HOOWGXGIMRDTNS-CMPLNLGQSA-N 1 0 322.206 3.018 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)N(C)C(=O)OC(C)(C)C ZINC000304277532 657617704 /nfs/dbraw/zinc/61/77/04/657617704.db2.gz LPVURULRVLOTDE-UONOGXRCSA-N 1 0 322.449 3.168 10 0 DGAERO CC(C)NC(=O)CC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722114529 657737908 /nfs/dbraw/zinc/73/79/08/657737908.db2.gz QIOUXKURSPBOOL-UHFFFAOYSA-N 1 0 303.233 3.040 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccccc1SC(F)F ZINC000054305572 657765236 /nfs/dbraw/zinc/76/52/36/657765236.db2.gz OOQNQHJEWZYJLA-JTQLQIEISA-N 1 0 300.374 3.330 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(SC(F)F)cc1 ZINC000054306440 657775424 /nfs/dbraw/zinc/77/54/24/657775424.db2.gz DZDGUQNZPSBNMG-SNVBAGLBSA-N 1 0 300.374 3.330 10 0 DGAERO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cn(C)nc1Br ZINC000720667086 658061346 /nfs/dbraw/zinc/06/13/46/658061346.db2.gz ZRLHRDWJZQDUBE-IINYFYTJSA-N 1 0 320.234 3.001 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2F)C[C@@H]1C(F)(F)F ZINC000720841940 658150139 /nfs/dbraw/zinc/15/01/39/658150139.db2.gz AUXQBSFDYICBMA-ONGXEEELSA-N 1 0 310.722 3.048 10 0 DGAERO O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N(Cc1ccccc1)Cc1ccccc1 ZINC000720957053 658258567 /nfs/dbraw/zinc/25/85/67/658258567.db2.gz ZFQISLSEHLUAMY-AABGKKOBSA-N 1 0 320.436 3.071 10 0 DGAERO C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccccn1 ZINC000721877022 658327443 /nfs/dbraw/zinc/32/74/43/658327443.db2.gz XPSLYTXGTPXOPR-HIFRSBDPSA-N 1 0 319.449 3.378 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]CCCc1nc3c(s1)CCCC3)CCC2 ZINC000353499441 658331590 /nfs/dbraw/zinc/33/15/90/658331590.db2.gz UFZNDCKUGWRDNV-CYBMUJFWSA-N 1 0 316.474 3.345 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cccc(O)c1 ZINC000721891603 658758157 /nfs/dbraw/zinc/75/81/57/658758157.db2.gz UETZWCSSSBLMSX-XJKCOSOUSA-N 1 0 320.433 3.298 10 0 DGAERO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C3OCCO3)cc2)CCO1 ZINC000721891497 658801054 /nfs/dbraw/zinc/80/10/54/658801054.db2.gz WFZYLQWVSWGWND-DLBZAZTESA-N 1 0 319.445 3.415 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccc(F)c2Br)C1 ZINC000157010356 658976389 /nfs/dbraw/zinc/97/63/89/658976389.db2.gz VBTQLTOFSSUHCN-MNOVXSKESA-N 1 0 315.230 3.147 10 0 DGAERO CC[S@](=O)CC[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000166053858 659014456 /nfs/dbraw/zinc/01/44/56/659014456.db2.gz MAYBLLCAQPGRPM-GHTZIAJQSA-N 1 0 301.455 3.443 10 0 DGAERO COc1c(C)cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1C ZINC000157774064 659096502 /nfs/dbraw/zinc/09/65/02/659096502.db2.gz WOTBJNGLVHDOBW-LJQANCHMSA-N 1 0 317.404 3.448 10 0 DGAERO C[NH+](C)C[C@H](NCc1occc1Br)c1ccccc1 ZINC000227364985 659154121 /nfs/dbraw/zinc/15/41/21/659154121.db2.gz CXALCBIUYDYMDA-AWEZNQCLSA-N 1 0 323.234 3.435 10 0 DGAERO CCOc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1 ZINC000227755385 659162694 /nfs/dbraw/zinc/16/26/94/659162694.db2.gz ZQMGMCYYGNAAHL-VOTSOKGWSA-N 1 0 320.433 3.256 10 0 DGAERO Cc1sc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1Br ZINC000227839281 659166109 /nfs/dbraw/zinc/16/61/09/659166109.db2.gz GRSRDWNKGZQOST-BXKDBHETSA-N 1 0 304.253 3.070 10 0 DGAERO CC(C)(C)c1csc(C[NH2+]C[C@H]2CSCCS2)n1 ZINC000229604794 659271688 /nfs/dbraw/zinc/27/16/88/659271688.db2.gz NZVQYIMSVATNSI-JTQLQIEISA-N 1 0 302.534 3.379 10 0 DGAERO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CC[C@@]1(O)C1CCOCC1 ZINC000229899805 659290093 /nfs/dbraw/zinc/29/00/93/659290093.db2.gz WWJYUNNJSZDJCA-REAYAIGQSA-N 1 0 315.457 3.199 10 0 DGAERO CC(=O)N[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1c1ccc(C)o1 ZINC000229973940 659293742 /nfs/dbraw/zinc/29/37/42/659293742.db2.gz CUYOAINCYOKQBI-ZHHAWYBESA-N 1 0 324.424 3.205 10 0 DGAERO COCCC[C@@]1(CO)CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000229983778 659295024 /nfs/dbraw/zinc/29/50/24/659295024.db2.gz PQXYDISDEZIBGV-AJWDXOCTSA-N 1 0 303.446 3.201 10 0 DGAERO Brc1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084648 659364071 /nfs/dbraw/zinc/36/40/71/659364071.db2.gz XOQIRBFCKMZBNF-JTQLQIEISA-N 1 0 322.206 3.041 10 0 DGAERO S=c1n(CN(C[C@H]2CCCO2)C2CCCC2)ncn1C1CC1 ZINC000172952243 659367124 /nfs/dbraw/zinc/36/71/24/659367124.db2.gz ASKIHZGWMFKHQE-OAHLLOKOSA-N 1 0 322.478 3.130 10 0 DGAERO CCC[C@@H]1CC(=O)N(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)C1 ZINC000173365600 659383554 /nfs/dbraw/zinc/38/35/54/659383554.db2.gz IAFWQMZRONABKU-WBVHZDCISA-N 1 0 308.466 3.016 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000231528563 659391474 /nfs/dbraw/zinc/39/14/74/659391474.db2.gz IVUUKLVJSRENRB-KBPBESRZSA-N 1 0 323.437 3.423 10 0 DGAERO Cc1noc(C)c1C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000237619215 659932623 /nfs/dbraw/zinc/93/26/23/659932623.db2.gz MPGOXPDHIHUVOP-SFHVURJKSA-N 1 0 313.445 3.436 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000068080027 659937863 /nfs/dbraw/zinc/93/78/63/659937863.db2.gz BOXMADIVADIMJZ-GFCCVEGCSA-N 1 0 319.836 3.348 10 0 DGAERO OC1(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CCCCC1 ZINC000179727286 659939553 /nfs/dbraw/zinc/93/95/53/659939553.db2.gz XXQSFECAHXRDGP-GOSISDBHSA-N 1 0 317.429 3.194 10 0 DGAERO CCCn1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cn1 ZINC000180240906 659956326 /nfs/dbraw/zinc/95/63/26/659956326.db2.gz MBBONDUZJRHTKT-MOPGFXCFSA-N 1 0 313.445 3.381 10 0 DGAERO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1cncnc1)c1ccccc1 ZINC000180510062 659964249 /nfs/dbraw/zinc/96/42/49/659964249.db2.gz QQAPWFPWWJZXDM-RTBURBONSA-N 1 0 311.429 3.345 10 0 DGAERO C[C@H](CC[NH2+][C@@H]1CC(C)(C)OC1(C)C)NC(=O)OC(C)(C)C ZINC000180516893 659964679 /nfs/dbraw/zinc/96/46/79/659964679.db2.gz GWKFIQOCHRFHAT-CHWSQXEVSA-N 1 0 314.470 3.225 10 0 DGAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000251463576 660005385 /nfs/dbraw/zinc/00/53/85/660005385.db2.gz VASDSIPNBLZGDA-MROQNXINSA-N 1 0 306.372 3.131 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(Cl)n1)c1ccc(-n2ccnn2)cc1 ZINC000182022615 660030301 /nfs/dbraw/zinc/03/03/01/660030301.db2.gz WVDZKZWYJLJLAJ-LBPRGKRZSA-N 1 0 313.792 3.167 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1 ZINC000182653431 660069504 /nfs/dbraw/zinc/06/95/04/660069504.db2.gz XJMPSOIRLVJGHB-QRWLVFNGSA-N 1 0 311.425 3.222 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)s1 ZINC000183240875 660105771 /nfs/dbraw/zinc/10/57/71/660105771.db2.gz TVRNDGAWZHSGMP-CQSZACIVSA-N 1 0 324.490 3.317 10 0 DGAERO CO[C@@H](C)CCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183290972 660107516 /nfs/dbraw/zinc/10/75/16/660107516.db2.gz ZNGOAOIVSFFMKH-FUHWJXTLSA-N 1 0 319.445 3.257 10 0 DGAERO CC(C)COc1ccc([C@@H](C)NC(=O)CCCCC[NH3+])cc1 ZINC000155344325 661845354 /nfs/dbraw/zinc/84/53/54/661845354.db2.gz UXJOCHSCZQVEPD-OAHLLOKOSA-N 1 0 306.450 3.418 10 0 DGAERO CNC(NCc1ccc(Oc2ccc(F)cc2)c(C)c1)=[NH+]C ZINC000076105419 661968457 /nfs/dbraw/zinc/96/84/57/661968457.db2.gz HEUVUBNUPQWWCP-UHFFFAOYSA-N 1 0 301.365 3.221 10 0 DGAERO COc1ccc2c(c1)C(=O)N(C[N@H+](C)C1CCC(C)CC1)C2 ZINC000189708465 661988608 /nfs/dbraw/zinc/98/86/08/661988608.db2.gz QFGQNAFIMVDNNR-UHFFFAOYSA-N 1 0 302.418 3.119 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192034649 662086206 /nfs/dbraw/zinc/08/62/06/662086206.db2.gz LYODZWIWBWYECK-RDJZCZTQSA-N 1 0 301.430 3.344 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(COC)cc2)[C@H](C)C1 ZINC000192517207 662102484 /nfs/dbraw/zinc/10/24/84/662102484.db2.gz WIXZFDBZVPPJDV-PBHICJAKSA-N 1 0 319.449 3.027 10 0 DGAERO Cc1cccc(NC[C@@H]2CCN(c3cccc(Cl)n3)C2)[nH+]1 ZINC000192787585 662111105 /nfs/dbraw/zinc/11/11/05/662111105.db2.gz UUYWCMHFWSAGMJ-ZDUSSCGKSA-N 1 0 302.809 3.377 10 0 DGAERO O=C(N[C@@H]1CCCc2cc(F)ccc21)C1CC[NH+](C2CC2)CC1 ZINC000192796185 662111458 /nfs/dbraw/zinc/11/14/58/662111458.db2.gz UICLDHBCDAABMS-GOSISDBHSA-N 1 0 316.420 3.194 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000192951536 662116989 /nfs/dbraw/zinc/11/69/89/662116989.db2.gz OIXVJZVSTYKPFX-KBPBESRZSA-N 1 0 322.449 3.302 10 0 DGAERO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000193370259 662131815 /nfs/dbraw/zinc/13/18/15/662131815.db2.gz WMPPXRHFAPIAMP-KSSFIOAISA-N 1 0 301.430 3.443 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CCC=CO2)cc(COC2CCOCC2)c1 ZINC000194377447 662164502 /nfs/dbraw/zinc/16/45/02/662164502.db2.gz FLJVKTPMMNRWOL-IBGZPJMESA-N 1 0 317.429 3.165 10 0 DGAERO CN1C[C@@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)CCC1=O ZINC000084061455 662198730 /nfs/dbraw/zinc/19/87/30/662198730.db2.gz NUTBTRLNFQRAAM-NSHDSACASA-N 1 0 318.364 3.009 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(C(F)(F)F)s1 ZINC000717924131 662205654 /nfs/dbraw/zinc/20/56/54/662205654.db2.gz SMFZWPSGHGZUNZ-DTWKUNHWSA-N 1 0 306.353 3.038 10 0 DGAERO COC1CC(C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)C1 ZINC000717993299 662213093 /nfs/dbraw/zinc/21/30/93/662213093.db2.gz AOFQWFXMOYRBIQ-HIEASXQVSA-N 1 0 303.446 3.385 10 0 DGAERO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(C(F)(F)F)s1 ZINC000718010088 662214124 /nfs/dbraw/zinc/21/41/24/662214124.db2.gz DCAHLLNBCYVOAW-SECBINFHSA-N 1 0 303.353 3.394 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)CC1CC([NH3+])C1 ZINC000718092195 662221822 /nfs/dbraw/zinc/22/18/22/662221822.db2.gz SMULWSXBFSPLNX-UHFFFAOYSA-N 1 0 301.217 3.079 10 0 DGAERO Cc1coc(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)c1 ZINC000718084028 662221866 /nfs/dbraw/zinc/22/18/66/662221866.db2.gz OZKKUVGJWOHAJF-UHFFFAOYSA-N 1 0 306.406 3.077 10 0 DGAERO COc1cc[nH+]c(NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000089806441 662248354 /nfs/dbraw/zinc/24/83/54/662248354.db2.gz BXYNHJIICKLYEC-CYBMUJFWSA-N 1 0 321.421 3.149 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cnc(Cl)s1 ZINC000718202794 662249790 /nfs/dbraw/zinc/24/97/90/662249790.db2.gz DSTALPHOQZMBOY-UHFFFAOYSA-N 1 0 319.858 3.189 10 0 DGAERO Clc1cc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)ccn1 ZINC000089952182 662250815 /nfs/dbraw/zinc/25/08/15/662250815.db2.gz CCVKGTHWLYPASE-ZIAGYGMSSA-N 1 0 312.866 3.222 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cccc(Cl)c1Cl ZINC000090468170 662264544 /nfs/dbraw/zinc/26/45/44/662264544.db2.gz KEXQPIKWKSPYRW-ZJUUUORDSA-N 1 0 322.257 3.221 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)ccc1OC ZINC000246572361 662265423 /nfs/dbraw/zinc/26/54/23/662265423.db2.gz YAYLDILKCYSZML-RVKKMQEKSA-N 1 0 320.477 3.221 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CS[C@@H](C)C2)sc1Br ZINC000719318919 662273803 /nfs/dbraw/zinc/27/38/03/662273803.db2.gz ZNPKMTNDRUUZDC-POYBYMJQSA-N 1 0 307.282 3.198 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CCS[C@@H]2C)sc1Br ZINC000719322243 662274048 /nfs/dbraw/zinc/27/40/48/662274048.db2.gz PMLKGNGGWHGELQ-SFYZADRCSA-N 1 0 307.282 3.198 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1cccc(Cl)c1 ZINC000038092819 662282811 /nfs/dbraw/zinc/28/28/11/662282811.db2.gz IQJTVQGVPBSDAI-MZGVZZPPSA-N 1 0 306.837 3.438 10 0 DGAERO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](CCc2cccs2)C1 ZINC000246818240 662284363 /nfs/dbraw/zinc/28/43/63/662284363.db2.gz UERKCHYLXBMDAO-WBMJQRKESA-N 1 0 309.381 3.377 10 0 DGAERO C[C@@H](N)c1nc(C(=O)N[C@@H](C)c2cccc(Cl)c2)cs1 ZINC000090951050 662287361 /nfs/dbraw/zinc/28/73/61/662287361.db2.gz QKVFCLRMPLDQLW-BDAKNGLRSA-N 1 0 309.822 3.307 10 0 DGAERO C[C@H](O)C(C)(C)[NH2+]Cc1cccc(Cl)c1Br ZINC000719467494 662288031 /nfs/dbraw/zinc/28/80/31/662288031.db2.gz IQAONKOAFXDGBI-QMMMGPOBSA-N 1 0 306.631 3.352 10 0 DGAERO Clc1cccc(C[NH2+][C@@H]2CCCOC2)c1Br ZINC000719460200 662288324 /nfs/dbraw/zinc/28/83/24/662288324.db2.gz HGNBWVOQYVJTRK-SNVBAGLBSA-N 1 0 304.615 3.371 10 0 DGAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cccc(Cl)c1Br ZINC000719460252 662288834 /nfs/dbraw/zinc/28/88/34/662288834.db2.gz IBPCTSDOOMUIAY-LDYMZIIASA-N 1 0 304.615 3.370 10 0 DGAERO Cc1n[nH]cc1C[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719554514 662291948 /nfs/dbraw/zinc/29/19/48/662291948.db2.gz MGNBNMXWKQGLSK-UHFFFAOYSA-N 1 0 308.223 3.387 10 0 DGAERO C[N@H+](CCCNC(=O)CSC(C)(C)C)C1CCCCC1 ZINC000247960537 662331345 /nfs/dbraw/zinc/33/13/45/662331345.db2.gz FBBOYQIFNPPXOK-UHFFFAOYSA-N 1 0 300.512 3.289 10 0 DGAERO COC(OC)[C@H](C)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137127244 685071854 /nfs/dbraw/zinc/07/18/54/685071854.db2.gz ALFDXHAXCMPEHF-QMMMGPOBSA-N 1 0 322.630 3.200 10 0 DGAERO Cc1ccc(O)cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379965220 685150144 /nfs/dbraw/zinc/15/01/44/685150144.db2.gz LNCGETAAOKPNDD-KRWDZBQOSA-N 1 0 324.424 3.047 10 0 DGAERO CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000381689755 685158679 /nfs/dbraw/zinc/15/86/79/685158679.db2.gz FGDPMFBRCKOVMQ-ZIAGYGMSSA-N 1 0 322.449 3.477 10 0 DGAERO CCOc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000381689753 685159087 /nfs/dbraw/zinc/15/90/87/685159087.db2.gz FGDPMFBRCKOVMQ-KGLIPLIRSA-N 1 0 322.449 3.477 10 0 DGAERO CC[C@H](C[NH2+]C[C@@]1(C)CCCS1)NC(=O)OC(C)(C)C ZINC000382014943 685161386 /nfs/dbraw/zinc/16/13/86/685161386.db2.gz NXPLHNAYMDPORM-IUODEOHRSA-N 1 0 302.484 3.165 10 0 DGAERO C[C@@H](CC[NH2+]C[C@@]1(C)CCCS1)NC(=O)OC(C)(C)C ZINC000381995786 685161674 /nfs/dbraw/zinc/16/16/74/685161674.db2.gz ILYZTXXRUXULTR-SWLSCSKDSA-N 1 0 302.484 3.165 10 0 DGAERO CCN(CC[NH2+]C[C@@]1(C)CCCS1)C(=O)OC(C)(C)C ZINC000382113400 685162652 /nfs/dbraw/zinc/16/26/52/685162652.db2.gz FGOAGHPDDUHCNY-OAHLLOKOSA-N 1 0 302.484 3.119 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)o1 ZINC000382418006 685163713 /nfs/dbraw/zinc/16/37/13/685163713.db2.gz AUHLSXHPFPTZKA-RISCZKNCSA-N 1 0 323.437 3.027 10 0 DGAERO Cc1cc(C)cc([C@@H](O)C[N@H+](C)CCOCc2ccccc2)c1 ZINC000383773662 685168351 /nfs/dbraw/zinc/16/83/51/685168351.db2.gz RJTBQLJHXDHOLE-FQEVSTJZSA-N 1 0 313.441 3.485 10 0 DGAERO C[NH+](C)CCCC(C)(C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000387351963 685183837 /nfs/dbraw/zinc/18/38/37/685183837.db2.gz SHYPQQDJUJMYDJ-UHFFFAOYSA-N 1 0 300.790 3.176 10 0 DGAERO O[C@@H](C[NH2+]CCCCOCc1ccccc1)c1cccc(F)c1 ZINC000390597375 685203449 /nfs/dbraw/zinc/20/34/49/685203449.db2.gz XINBWIACOZDMNJ-IBGZPJMESA-N 1 0 317.404 3.446 10 0 DGAERO Cc1nn(C)c(C[NH2+]CCCCOCc2ccccc2)c1Cl ZINC000390694480 685203978 /nfs/dbraw/zinc/20/39/78/685203978.db2.gz CXYXBAMWQJGXQV-UHFFFAOYSA-N 1 0 321.852 3.469 10 0 DGAERO O=C(C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)NCc1ccccc1 ZINC000390950867 685207772 /nfs/dbraw/zinc/20/77/72/685207772.db2.gz PRLJJWRRHGRYPH-LJQANCHMSA-N 1 0 312.388 3.183 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)ccn1 ZINC000391166141 685209709 /nfs/dbraw/zinc/20/97/09/685209709.db2.gz FLIXUZXJEVISLS-INIZCTEOSA-N 1 0 319.449 3.269 10 0 DGAERO Cc1cc(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)ccn1 ZINC000391183928 685209923 /nfs/dbraw/zinc/20/99/23/685209923.db2.gz MCSSQPSDXHEEFR-UHFFFAOYSA-N 1 0 307.438 3.173 10 0 DGAERO CC1(C)SC[C@@H]1[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000393845239 685219259 /nfs/dbraw/zinc/21/92/59/685219259.db2.gz CWNSDGNWWIZHHX-RYUDHWBXSA-N 1 0 305.365 3.222 10 0 DGAERO CCC[C@H](C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC000395192592 685224604 /nfs/dbraw/zinc/22/46/04/685224604.db2.gz QXEQKEQGPFXPDW-QLFBSQMISA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccccc2Cl)C1 ZINC000397618484 685230738 /nfs/dbraw/zinc/23/07/38/685230738.db2.gz FSOYFANEBWAFRE-UHFFFAOYSA-N 1 0 310.825 3.297 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]CCOC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC000399218531 685240676 /nfs/dbraw/zinc/24/06/76/685240676.db2.gz JWORDGTZBVEZCJ-ZIAGYGMSSA-N 1 0 314.470 3.179 10 0 DGAERO c1cncc(CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000128703223 1176016901 /nfs/dbraw/zinc/01/69/01/1176016901.db2.gz DCNXEBCRTJKRFC-UHFFFAOYSA-N 1 0 319.408 3.388 10 0 DGAERO CC[C@H]([NH2+]C[C@H](ONC(=O)OC(C)(C)C)C(C)C)C1CC1 ZINC000398867740 1176094680 /nfs/dbraw/zinc/09/46/80/1176094680.db2.gz NZKXIYVMHWAQDS-KBPBESRZSA-N 1 0 300.443 3.246 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCN2CCCCC2)cc1Cl ZINC000237695182 1176109794 /nfs/dbraw/zinc/10/97/94/1176109794.db2.gz ROHLYCSARURFPH-UHFFFAOYSA-N 1 0 308.853 3.480 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+][C@H]2CSC2(C)C)CN1C(=O)OC(C)(C)C ZINC000398973969 1176130043 /nfs/dbraw/zinc/13/00/43/1176130043.db2.gz ARYVBMYBDFDELZ-UPJWGTAASA-N 1 0 314.495 3.258 10 0 DGAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC[C@@H]1CCOC1 ZINC000390788013 1176430908 /nfs/dbraw/zinc/43/09/08/1176430908.db2.gz ZZBDJFYTGJPEQZ-HUUCEWRRSA-N 1 0 314.470 3.086 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CS1 ZINC000227662655 1176498887 /nfs/dbraw/zinc/49/88/87/1176498887.db2.gz QNIXFOCIOXZDFO-MELADBBJSA-N 1 0 314.495 3.117 10 0 DGAERO [NH3+][C@H]1CCC[C@H](CNc2ncc(Br)cc2Cl)C1 ZINC000227674698 1176506414 /nfs/dbraw/zinc/50/64/14/1176506414.db2.gz CFVGKTKTFRKSCT-WPRPVWTQSA-N 1 0 318.646 3.427 10 0 DGAERO O=C(Nc1ccc2cc[nH]c2c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000194337447 1176510582 /nfs/dbraw/zinc/51/05/82/1176510582.db2.gz UUVFCVFXSGKCRI-CQSZACIVSA-N 1 0 312.417 3.118 10 0 DGAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CSC1(C)C ZINC000393875751 1176709878 /nfs/dbraw/zinc/70/98/78/1176709878.db2.gz FJONVVRCSKIJEN-STQMWFEESA-N 1 0 316.511 3.267 10 0 DGAERO CC(C)n1cc(CNCCC[N@H+](C)Cc2ccccc2)cn1 ZINC000378969905 1176762477 /nfs/dbraw/zinc/76/24/77/1176762477.db2.gz ZKTZZDQFBZVEJD-UHFFFAOYSA-N 1 0 300.450 3.076 10 0 DGAERO Fc1c(Br)cccc1C[NH2+]CCc1ccncc1 ZINC000394915742 1176771523 /nfs/dbraw/zinc/77/15/23/1176771523.db2.gz ROPWHOXTZRODBP-UHFFFAOYSA-N 1 0 309.182 3.316 10 0 DGAERO Cc1cnccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000395378645 1176788767 /nfs/dbraw/zinc/78/87/67/1176788767.db2.gz QJCCVUDDMHGBHV-GOEBONIOSA-N 1 0 319.449 3.173 10 0 DGAERO CN(CC[NH2+]Cc1cccc2cccnc21)Cc1ccccc1 ZINC000395716045 1176790038 /nfs/dbraw/zinc/79/00/38/1176790038.db2.gz AOUUOZKFUBXXBY-UHFFFAOYSA-N 1 0 305.425 3.456 10 0 DGAERO CCC1CCC(C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000379994038 1176833783 /nfs/dbraw/zinc/83/37/83/1176833783.db2.gz UZBBUZUDULBIAK-UHFFFAOYSA-N 1 0 300.244 3.478 10 0 DGAERO CC1(C)C[C@@H]1[NH2+]Cc1cccc(I)c1 ZINC000307555675 1177017360 /nfs/dbraw/zinc/01/73/60/1177017360.db2.gz YDUJUGIVAVUZHZ-NSHDSACASA-N 1 0 301.171 3.179 10 0 DGAERO CC(C)[C@@H](C[NH2+]C1CC(C(C)C)C1)ONC(=O)OC(C)(C)C ZINC000398722163 1177028533 /nfs/dbraw/zinc/02/85/33/1177028533.db2.gz YYSCOKZXUWQXJB-YMAMQOFZSA-N 1 0 314.470 3.492 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)[C@H](C)O1 ZINC000384655097 1177119309 /nfs/dbraw/zinc/11/93/09/1177119309.db2.gz COOMMGCVWJZLBQ-CJTUPEFNSA-N 1 0 324.262 3.462 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000588545589 1177220745 /nfs/dbraw/zinc/22/07/45/1177220745.db2.gz UTCBYCRSKMIIRQ-SQFISAMPSA-N 1 0 316.445 3.041 10 0 DGAERO O=C(/C=C\c1ccc[nH]1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000588547872 1177221862 /nfs/dbraw/zinc/22/18/62/1177221862.db2.gz ZJRSWNOEKDOZLY-YAINUAMHSA-N 1 0 323.440 3.199 10 0 DGAERO CC(C)(C)[S@@](=O)CC[NH2+]Cc1cc(Br)cs1 ZINC000116920392 1177460696 /nfs/dbraw/zinc/46/06/96/1177460696.db2.gz BJTHMQLHBMSBBE-MRXNPFEDSA-N 1 0 324.309 3.147 10 0 DGAERO CC(C)(C)[S@](=O)CC[NH2+]Cc1cc(Br)cs1 ZINC000116920394 1177460863 /nfs/dbraw/zinc/46/08/63/1177460863.db2.gz BJTHMQLHBMSBBE-INIZCTEOSA-N 1 0 324.309 3.147 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085366565 1177712219 /nfs/dbraw/zinc/71/22/19/1177712219.db2.gz AMISVWHGBKXFHL-DGCLKSJQSA-N 1 0 315.244 3.469 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085367857 1177712585 /nfs/dbraw/zinc/71/25/85/1177712585.db2.gz JPWIAHBCQOEYJF-TZMCWYRMSA-N 1 0 315.244 3.469 10 0 DGAERO CCC[N@H+](CC)CCNc1ncc(Br)cc1F ZINC000218972843 1177833562 /nfs/dbraw/zinc/83/35/62/1177833562.db2.gz JGMOBEDWLYDARY-UHFFFAOYSA-N 1 0 304.207 3.127 10 0 DGAERO FCCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000136517235 1177845618 /nfs/dbraw/zinc/84/56/18/1177845618.db2.gz PAXLSFZOWOSMLR-UHFFFAOYSA-N 1 0 318.186 3.060 10 0 DGAERO CCN(C)CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054109859 1194755625 /nfs/dbraw/zinc/75/56/25/1194755625.db2.gz DJTYVENVXHSLKJ-ZDUSSCGKSA-N 1 0 300.393 3.150 10 0 DGAERO CCN(C)CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054109860 1194755758 /nfs/dbraw/zinc/75/57/58/1194755758.db2.gz DJTYVENVXHSLKJ-CYBMUJFWSA-N 1 0 300.393 3.150 10 0 DGAERO c1cc2c(c(C[NH2+]Cc3ccc(N4CCCC4)cc3)c1)OCO2 ZINC000060975600 1195167643 /nfs/dbraw/zinc/16/76/43/1195167643.db2.gz LUNXXZYCAKWYOE-UHFFFAOYSA-N 1 0 310.397 3.305 10 0 DGAERO CC(=O)Nc1ccc(C[NH2+]CCCOCc2ccccc2)cc1 ZINC000061743960 1195208376 /nfs/dbraw/zinc/20/83/76/1195208376.db2.gz RORJMTHBRRSACC-UHFFFAOYSA-N 1 0 312.413 3.342 10 0 DGAERO c1cn(CCC[NH2+]Cc2csc(-c3ccsc3)n2)cn1 ZINC000066861970 1195572040 /nfs/dbraw/zinc/57/20/40/1195572040.db2.gz VEBLYXOIRPSCBP-UHFFFAOYSA-N 1 0 304.444 3.248 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(C)o1 ZINC000067728673 1195662278 /nfs/dbraw/zinc/66/22/78/1195662278.db2.gz MWPQXAMABGARNI-HIFRSBDPSA-N 1 0 309.454 3.233 10 0 DGAERO c1ccc(OCC[NH2+]Cc2cnc(-c3ccccc3)nc2)cc1 ZINC000069645915 1195807667 /nfs/dbraw/zinc/80/76/67/1195807667.db2.gz YNWCPTYZDKQFMN-UHFFFAOYSA-N 1 0 305.381 3.312 10 0 DGAERO FC(F)(F)COc1ccc(C[NH2+]CCc2ccccn2)cc1 ZINC000078492367 1196734630 /nfs/dbraw/zinc/73/46/30/1196734630.db2.gz COISYVZTYOKPQO-UHFFFAOYSA-N 1 0 310.319 3.355 10 0 DGAERO COc1ccc(OC)c(C[NH2+]CCCCNc2ccccn2)c1 ZINC000078847637 1196803464 /nfs/dbraw/zinc/80/34/64/1196803464.db2.gz QVJHAMMUVJTHRE-UHFFFAOYSA-N 1 0 315.417 3.081 10 0 DGAERO c1cnn(CCC[NH2+]Cc2cnc(-c3cccs3)s2)c1 ZINC000083448832 1197429317 /nfs/dbraw/zinc/42/93/17/1197429317.db2.gz OJQAOJBPKLQCCY-UHFFFAOYSA-N 1 0 304.444 3.248 10 0 DGAERO CC(C)OCCCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000382421093 1197704951 /nfs/dbraw/zinc/70/49/51/1197704951.db2.gz WWZPIVTUCKKLHH-UHFFFAOYSA-N 1 0 304.478 3.446 10 0 DGAERO CC[N@@H+]1CCN(Cc2ccsc2Br)C[C@@H]1C ZINC000388988587 1197709429 /nfs/dbraw/zinc/70/94/29/1197709429.db2.gz YHCVOZKOFYDYKV-JTQLQIEISA-N 1 0 303.269 3.037 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCc1ccsc1 ZINC000389855301 1197711523 /nfs/dbraw/zinc/71/15/23/1197711523.db2.gz ZHQXDDWXMBALDX-MAUKXSAKSA-N 1 0 300.471 3.401 10 0 DGAERO CCOc1ccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)cc1 ZINC000397838167 1197722815 /nfs/dbraw/zinc/72/28/15/1197722815.db2.gz FRFWXKWUEUQWMW-UHFFFAOYSA-N 1 0 322.449 3.480 10 0 DGAERO C[C@@H]1C[NH+](Cc2ccc(I)cc2)C[C@H]1C ZINC000091440265 1198407698 /nfs/dbraw/zinc/40/76/98/1198407698.db2.gz PFVGAJWIRRAMDN-GHMZBOCLSA-N 1 0 315.198 3.379 10 0 DGAERO c1ccc2[nH]c(CCC[NH2+]Cc3nc4c(s3)CCC4)nc2c1 ZINC000093065661 1198649051 /nfs/dbraw/zinc/64/90/51/1198649051.db2.gz JVXIIWXVQKQPDV-UHFFFAOYSA-N 1 0 312.442 3.231 10 0 DGAERO Cn1cc(C[NH2+]CCOCc2ccccc2)c(C(C)(C)C)n1 ZINC000093967144 1198741184 /nfs/dbraw/zinc/74/11/84/1198741184.db2.gz SLTDDXWUSKEGLV-UHFFFAOYSA-N 1 0 301.434 3.024 10 0 DGAERO CC(C)[C@H]([NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000401950557 1199427269 /nfs/dbraw/zinc/42/72/69/1199427269.db2.gz LWULWNJQQMMKJK-MSOLQXFVSA-N 1 0 316.445 3.422 10 0 DGAERO CC(C)SCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404798917 1199586379 /nfs/dbraw/zinc/58/63/79/1199586379.db2.gz JVIOPQZYRLNYJZ-OLZOCXBDSA-N 1 0 316.511 3.409 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccco2)C12CCC2 ZINC000405227074 1199594947 /nfs/dbraw/zinc/59/49/47/1199594947.db2.gz OZIDIGMMEMEIGN-CABCVRRESA-N 1 0 320.433 3.248 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCC(F)F)C12CCC2 ZINC000405360550 1199598080 /nfs/dbraw/zinc/59/80/80/1199598080.db2.gz UAMAXHIPHIRSOT-QWRGUYRKSA-N 1 0 304.381 3.067 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000306737801 1199697078 /nfs/dbraw/zinc/69/70/78/1199697078.db2.gz RRENYFJZKZPAAD-NQIIRXRSSA-N 1 0 324.468 3.313 10 0 DGAERO Ic1ccccc1C[NH2+]CC1CCC1 ZINC000308510914 1199704543 /nfs/dbraw/zinc/70/45/43/1199704543.db2.gz JOODYXLZJAVOIV-UHFFFAOYSA-N 1 0 301.171 3.181 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@H]2CCN(C(C)C)C2=O)cc1Cl ZINC000114775704 1199717654 /nfs/dbraw/zinc/71/76/54/1199717654.db2.gz GOASUDKXUYXIGZ-HNNXBMFYSA-N 1 0 322.836 3.004 10 0 DGAERO Cn1nccc1CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000310346712 1199718033 /nfs/dbraw/zinc/71/80/33/1199718033.db2.gz OFOZRJINHJDITD-UHFFFAOYSA-N 1 0 321.424 3.331 10 0 DGAERO CC(C)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000311437718 1199739465 /nfs/dbraw/zinc/73/94/65/1199739465.db2.gz OPCUKNCJSFYDEE-UHFFFAOYSA-N 1 0 302.249 3.102 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1C ZINC000313596107 1199770451 /nfs/dbraw/zinc/77/04/51/1199770451.db2.gz WKVTVAOTRDVQKV-WFASDCNBSA-N 1 0 312.251 3.350 10 0 DGAERO Cc1ccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)cc1Br ZINC000313749589 1199774073 /nfs/dbraw/zinc/77/40/73/1199774073.db2.gz IBNCDUYGPZDXIS-INIZCTEOSA-N 1 0 323.278 3.284 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000119669946 1200102982 /nfs/dbraw/zinc/10/29/82/1200102982.db2.gz FQXAOFUXESHSEE-KRWDZBQOSA-N 1 0 318.461 3.438 10 0 DGAERO c1ccc(-c2cccc(C[NH2+]CCOC[C@H]3CCCO3)c2)nc1 ZINC000128085982 1200754900 /nfs/dbraw/zinc/75/49/00/1200754900.db2.gz IEIQQSZVVMMGGD-GOSISDBHSA-N 1 0 312.413 3.034 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000131384797 1201151119 /nfs/dbraw/zinc/15/11/19/1201151119.db2.gz FIYXXXVHFWBSIJ-RDTXWAMCSA-N 1 0 310.482 3.009 10 0 DGAERO c1c(CC[NH2+]Cc2ccc3c(c2)OCCO3)[nH]c2ccccc12 ZINC000135930379 1201207214 /nfs/dbraw/zinc/20/72/14/1201207214.db2.gz CPWHKHUISZBLTL-UHFFFAOYSA-N 1 0 308.381 3.271 10 0 DGAERO CCCOc1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1 ZINC000222023226 1202568009 /nfs/dbraw/zinc/56/80/09/1202568009.db2.gz QXEQBCWPQMTLEV-UHFFFAOYSA-N 1 0 322.449 3.480 10 0 DGAERO CC[C@@H]1CN(CCOc2ccccc2C)CCN1CC(F)F ZINC000153393409 1202596273 /nfs/dbraw/zinc/59/62/73/1202596273.db2.gz XRDGWLULFMYMPJ-OAHLLOKOSA-N 1 0 312.404 3.035 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(Cl)c1N ZINC000155863858 1202599447 /nfs/dbraw/zinc/59/94/47/1202599447.db2.gz MSQBLSNFFGXSRI-LBPRGKRZSA-N 1 0 311.857 3.163 10 0 DGAERO Fc1c(Br)cccc1C[NH2+]CCN1CCCCC1 ZINC000236124644 1202605252 /nfs/dbraw/zinc/60/52/52/1202605252.db2.gz COOXZQKOTZEAGZ-UHFFFAOYSA-N 1 0 315.230 3.164 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000236578316 1202612821 /nfs/dbraw/zinc/61/28/21/1202612821.db2.gz YJSVIUQHQOWZQE-UHFFFAOYSA-N 1 0 317.396 3.098 10 0 DGAERO c1cc2c(cc1C[NH2+]CCOC1CCCCCC1)OCCO2 ZINC000236585306 1202613547 /nfs/dbraw/zinc/61/35/47/1202613547.db2.gz FPGKWIXQGKSSAZ-UHFFFAOYSA-N 1 0 305.418 3.287 10 0 DGAERO c1[nH]nc2cc(C[NH2+]CCc3nc4c(s3)CCCC4)ccc12 ZINC000236689160 1202620945 /nfs/dbraw/zinc/62/09/45/1202620945.db2.gz PEJKBJXTDCWLOL-UHFFFAOYSA-N 1 0 312.442 3.231 10 0 DGAERO CCOCCCC[NH2+]Cc1cc(Br)ccc1OC ZINC000236839732 1202627976 /nfs/dbraw/zinc/62/79/76/1202627976.db2.gz WDUPXLCFWAIWMD-UHFFFAOYSA-N 1 0 316.239 3.364 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCCC(=O)NC2CC2)cc1Cl ZINC000237694588 1202689852 /nfs/dbraw/zinc/68/98/52/1202689852.db2.gz NCHLYBGBYPOLDX-UHFFFAOYSA-N 1 0 322.836 3.053 10 0 DGAERO CC(C)OC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000186075249 1202893817 /nfs/dbraw/zinc/89/38/17/1202893817.db2.gz IWTAEXNCOPUEST-MOPGFXCFSA-N 1 0 317.404 3.291 10 0 DGAERO COc1ccnc(C[N@H+](C)[C@H](C)Cc2ccsc2)c1OC ZINC000190631534 1203282080 /nfs/dbraw/zinc/28/20/80/1203282080.db2.gz OITDTLVDSLOXKU-GFCCVEGCSA-N 1 0 306.431 3.223 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192676039 1203289965 /nfs/dbraw/zinc/28/99/65/1203289965.db2.gz WDEUIOSJKJPDRW-CYBMUJFWSA-N 1 0 306.475 3.012 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1csc(Br)c1 ZINC000164668000 1203692971 /nfs/dbraw/zinc/69/29/71/1203692971.db2.gz RPFVLXGGYUALDM-UHFFFAOYSA-N 1 0 306.269 3.399 10 0 DGAERO C[C@H]1CCCN1CC[NH2+]Cc1ccc(Br)s1 ZINC000164912101 1203712253 /nfs/dbraw/zinc/71/22/53/1203712253.db2.gz RYXSHIZJPBKODA-JTQLQIEISA-N 1 0 303.269 3.085 10 0 DGAERO CCOC[C@H]1CC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000247240445 1203770577 /nfs/dbraw/zinc/77/05/77/1203770577.db2.gz WTKQFOOINDQAGE-XJKSGUPXSA-N 1 0 322.836 3.191 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C(\C)c2ccc(OC)cc2)C1 ZINC000176966644 1203944936 /nfs/dbraw/zinc/94/49/36/1203944936.db2.gz LJTFKOFRSDWJQB-LCJXNMAOSA-N 1 0 316.445 3.041 10 0 DGAERO Cc1noc([C@H]([NH2+]CCCOc2cccc(C#N)c2)C(C)C)n1 ZINC000179870122 1204323228 /nfs/dbraw/zinc/32/32/28/1204323228.db2.gz IMPZMNGBQCIRHY-MRXNPFEDSA-N 1 0 314.389 3.006 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]C[C@H]2CCC=CO2)CCCCC1 ZINC000705569431 1081694651 /nfs/dbraw/zinc/69/46/51/1081694651.db2.gz XCDQHYHGPOIHIZ-OAHLLOKOSA-N 1 0 324.465 3.496 10 0 DGAERO C[C@H](C[NH2+][C@H](C)[C@@H]1CCCCO1)CN(C)C(=O)OC(C)(C)C ZINC000705994572 1081855560 /nfs/dbraw/zinc/85/55/60/1081855560.db2.gz QOOQNNVYBIMUJI-KFWWJZLASA-N 1 0 314.470 3.037 10 0 DGAERO C/C(=C/C(C)(C)C)C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000588503526 1082498595 /nfs/dbraw/zinc/49/85/95/1082498595.db2.gz KEAWPOQGNWEIHL-FCFCDCELSA-N 1 0 322.493 3.129 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000588545639 1082596080 /nfs/dbraw/zinc/59/60/80/1082596080.db2.gz DHECCSOLDUDBDO-OWBHPGMISA-N 1 0 304.409 3.172 10 0 DGAERO Fc1nccnc1N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709627577 1083919901 /nfs/dbraw/zinc/91/99/01/1083919901.db2.gz GIYVSSNAZNJENA-MRXNPFEDSA-N 1 0 314.408 3.472 10 0 DGAERO C[N@@H+]1CCN(Cc2cccc(Br)c2)CCC1(C)C ZINC000712636151 1085769641 /nfs/dbraw/zinc/76/96/41/1085769641.db2.gz CRTSHOHTABJLSL-UHFFFAOYSA-N 1 0 311.267 3.365 10 0 DGAERO Cn1cc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)c(Br)n1 ZINC000713828770 1086607089 /nfs/dbraw/zinc/60/70/89/1086607089.db2.gz YCXQVPPZQRVRAY-LLVKDONJSA-N 1 0 314.271 3.441 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]Cc1cccc(F)c1Br ZINC000720281933 1090900520 /nfs/dbraw/zinc/90/05/20/1090900520.db2.gz OVLZDFOGPSPQMR-VIFPVBQESA-N 1 0 304.203 3.491 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCCCF)C[C@@H]2C1 ZINC000400983880 1093930547 /nfs/dbraw/zinc/93/05/47/1093930547.db2.gz UBYNMVWKTHZBOF-RRFJBIMHSA-N 1 0 314.445 3.361 10 0 DGAERO C[C@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000401661405 1093963420 /nfs/dbraw/zinc/96/34/20/1093963420.db2.gz VDUDAYBHIFDMBW-AZUAARDMSA-N 1 0 324.472 3.289 10 0 DGAERO Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401688674 1093965349 /nfs/dbraw/zinc/96/53/49/1093965349.db2.gz YYVNAFODEGNTME-XJKSGUPXSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401788983 1093972569 /nfs/dbraw/zinc/97/25/69/1093972569.db2.gz VJNBGDNCUQPSDP-JHJVBQTASA-N 1 0 318.408 3.409 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000401856885 1093975407 /nfs/dbraw/zinc/97/54/07/1093975407.db2.gz VVWNMQMIVDKHDD-CZUORRHYSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@H]1C[C@H]([NH2+]Cc2ccns2)CCN1C(=O)OC(C)(C)C ZINC000404460246 1094258650 /nfs/dbraw/zinc/25/86/50/1094258650.db2.gz SRAZBDKSGSYVRN-NWDGAFQWSA-N 1 0 311.451 3.021 10 0 DGAERO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccns1 ZINC000404455614 1094258713 /nfs/dbraw/zinc/25/87/13/1094258713.db2.gz PDZTZXPJGNCOLI-LBPRGKRZSA-N 1 0 313.467 3.172 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404570742 1094261218 /nfs/dbraw/zinc/26/12/18/1094261218.db2.gz IGCCMPXVXOGTRE-CYBMUJFWSA-N 1 0 314.470 3.085 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720866889 1096071637 /nfs/dbraw/zinc/07/16/37/1096071637.db2.gz TVOKQYZWRZOYDM-GBESFXJTSA-N 1 0 316.489 3.444 10 0 DGAERO Cc1ccoc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721843821 1098062984 /nfs/dbraw/zinc/06/29/84/1098062984.db2.gz BNDPMGMSPGRWKO-CQSZACIVSA-N 1 0 308.422 3.323 10 0 DGAERO c1cn(CCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)cn1 ZINC000075733848 1099639307 /nfs/dbraw/zinc/63/93/07/1099639307.db2.gz LZFJNOFFYSDRRX-UHFFFAOYSA-N 1 0 322.412 3.037 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2coc3ccccc23)CO1 ZINC000722500571 1100268835 /nfs/dbraw/zinc/26/88/35/1100268835.db2.gz KEPQATYGWCQYGS-CYBMUJFWSA-N 1 0 318.373 3.073 10 0 DGAERO C[C@@H](C[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000722499764 1100269446 /nfs/dbraw/zinc/26/94/46/1100269446.db2.gz CSISMMJAUDBYAY-ZFWWWQNUSA-N 1 0 312.454 3.343 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CO1 ZINC000722501904 1100296770 /nfs/dbraw/zinc/29/67/70/1100296770.db2.gz IEEYDEFLRLMRGV-KFWWJZLASA-N 1 0 310.438 3.096 10 0 DGAERO CC[C@@](C)(O)C[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719532722 1104942450 /nfs/dbraw/zinc/94/24/50/1104942450.db2.gz DXXIDNRLWLHJRI-CQSZACIVSA-N 1 0 300.240 3.317 10 0 DGAERO Cc1cn(C)nc1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000723986846 1106524621 /nfs/dbraw/zinc/52/46/21/1106524621.db2.gz WVXUGCJQFSJYNS-UHFFFAOYSA-N 1 0 313.445 3.205 10 0 DGAERO c1nn2ccccc2c1C[NH2+]CCCCOCc1ccccc1 ZINC000390572510 1108675339 /nfs/dbraw/zinc/67/53/39/1108675339.db2.gz AUYZJDBROWOXPB-UHFFFAOYSA-N 1 0 309.413 3.421 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000392863226 1108934149 /nfs/dbraw/zinc/93/41/49/1108934149.db2.gz QNNAAUCVUVQXGL-HUUCEWRRSA-N 1 0 324.262 3.464 10 0 DGAERO Cc1ccnc(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000392896716 1108937541 /nfs/dbraw/zinc/93/75/41/1108937541.db2.gz ZRYWXFJKZJYASH-HNNXBMFYSA-N 1 0 319.449 3.127 10 0 DGAERO C[C@H](C(=O)NC[C@H]1C[C@@H]1c1ccccc1)[NH+]1CCCCCC1 ZINC000074594364 185000651 /nfs/dbraw/zinc/00/06/51/185000651.db2.gz PQJNMZBUAWTQKK-KBAYOESNSA-N 1 0 300.446 3.171 10 0 DGAERO CSCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000061503243 432002588 /nfs/dbraw/zinc/00/25/88/432002588.db2.gz QYEZHNMDAVJXHS-MRXNPFEDSA-N 1 0 306.475 3.001 10 0 DGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1ccncc1 ZINC000062649206 432003627 /nfs/dbraw/zinc/00/36/27/432003627.db2.gz RZEFFFGLVYWHGG-GOSISDBHSA-N 1 0 324.428 3.258 10 0 DGAERO FCCCC[NH2+]Cc1ccc(I)cc1 ZINC000308556022 231095022 /nfs/dbraw/zinc/09/50/22/231095022.db2.gz ZXKMVPKXEZUIHF-UHFFFAOYSA-N 1 0 307.150 3.131 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(C(F)(F)F)c1F ZINC000079526567 185173930 /nfs/dbraw/zinc/17/39/30/185173930.db2.gz ZTICXLWSPDIWBA-SNVBAGLBSA-N 1 0 320.330 3.305 10 0 DGAERO OCCC1(C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000310099054 231109862 /nfs/dbraw/zinc/10/98/62/231109862.db2.gz MOGMLGJQULGNAS-JTQLQIEISA-N 1 0 316.264 3.250 10 0 DGAERO COCC[C@H](COC)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000310776600 231114702 /nfs/dbraw/zinc/11/47/02/231114702.db2.gz ARIVHVJEBAODQH-BXUZGUMPSA-N 1 0 316.239 3.151 10 0 DGAERO CCC[C@H]1C[NH2+]CCN1Cc1sccc1Br ZINC000082926788 185209593 /nfs/dbraw/zinc/20/95/93/185209593.db2.gz IAHQUCFOTDEBEY-JTQLQIEISA-N 1 0 303.269 3.085 10 0 DGAERO COC(=O)[C@H](C1CC1)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469450232 536646796 /nfs/dbraw/zinc/64/67/96/536646796.db2.gz MKHDGHBRDUPKOI-KRWDZBQOSA-N 1 0 323.383 3.171 10 0 DGAERO [NH3+]Cc1cc2cc(Br)cc(Br)c2o1 ZINC000083161050 185215085 /nfs/dbraw/zinc/21/50/85/185215085.db2.gz TXAAJDAYYURNIF-UHFFFAOYSA-N 1 0 304.969 3.417 10 0 DGAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2coc3ccccc23)cn1 ZINC000328621643 231252075 /nfs/dbraw/zinc/25/20/75/231252075.db2.gz AOMGJHLDZOTQGK-FUHWJXTLSA-N 1 0 311.385 3.176 10 0 DGAERO CCc1c(Cl)nc(C)nc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301346185 529492324 /nfs/dbraw/zinc/49/23/24/529492324.db2.gz HGDZTWZIQVBXLG-UHFFFAOYSA-N 1 0 322.884 3.313 10 0 DGAERO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)N(C)CC1CC1 ZINC000441338451 529539209 /nfs/dbraw/zinc/53/92/09/529539209.db2.gz WUWWXILJFFPLMV-SFHVURJKSA-N 1 0 302.462 3.116 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCCOC1CCOCC1)CCCO2 ZINC000090083665 185281211 /nfs/dbraw/zinc/28/12/11/185281211.db2.gz JBRORDYOMCQNRO-SFHVURJKSA-N 1 0 319.445 3.384 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1OC(F)F ZINC000178294178 282217140 /nfs/dbraw/zinc/21/71/40/282217140.db2.gz HVFKNKFZOLNWFD-OAHLLOKOSA-N 1 0 321.371 3.458 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000090227918 185287892 /nfs/dbraw/zinc/28/78/92/185287892.db2.gz XFRAIQLFXFJNNL-MSOLQXFVSA-N 1 0 310.445 3.341 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccccc1Br)[S@](C)=O ZINC000090515786 185299961 /nfs/dbraw/zinc/29/99/61/185299961.db2.gz IZXQQHKOCDVVDE-VGTOOOLASA-N 1 0 318.280 3.257 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1)[S@](C)=O ZINC000090515744 185300059 /nfs/dbraw/zinc/30/00/59/185300059.db2.gz PGTZPWQRGRJQJD-QZXWKGOOSA-N 1 0 305.390 3.096 10 0 DGAERO CSCc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000092603294 185328693 /nfs/dbraw/zinc/32/86/93/185328693.db2.gz YKGUTGKULURLSV-CZUORRHYSA-N 1 0 319.474 3.250 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000192813329 529707623 /nfs/dbraw/zinc/70/76/23/529707623.db2.gz RIDIRSZSKYRILT-CRAIPNDOSA-N 1 0 310.445 3.359 10 0 DGAERO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)s1 ZINC000092754692 185338256 /nfs/dbraw/zinc/33/82/56/185338256.db2.gz SUZSNJBZLYQVOV-CQSZACIVSA-N 1 0 308.491 3.429 10 0 DGAERO CCC[C@H](C(=O)Nc1cc(C2CCCCC2)nn1C)[NH+](C)C ZINC000092756853 185338365 /nfs/dbraw/zinc/33/83/65/185338365.db2.gz CIMRXJGHBJEQPF-OAHLLOKOSA-N 1 0 306.454 3.137 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]Cc2ccc(OC)c(O)c2)cc1 ZINC000181377440 199288061 /nfs/dbraw/zinc/28/80/61/199288061.db2.gz SZQMDWMFFRKTDG-ZDUSSCGKSA-N 1 0 301.386 3.303 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2ccccc2)cc1 ZINC000181426823 199294925 /nfs/dbraw/zinc/29/49/25/199294925.db2.gz PPTTZLLJKSDDPY-OXQOHEQNSA-N 1 0 321.424 3.262 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1nnc(C(C)C)s1 ZINC000181535648 199312963 /nfs/dbraw/zinc/31/29/63/199312963.db2.gz MSNULGCGEBFNGD-LBPRGKRZSA-N 1 0 318.446 3.259 10 0 DGAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000181481540 199304371 /nfs/dbraw/zinc/30/43/71/199304371.db2.gz VGZBRAINQGFPLC-KANFNMMFSA-N 1 0 314.473 3.306 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2OC)C12CCCC2 ZINC000181550066 199315825 /nfs/dbraw/zinc/31/58/25/199315825.db2.gz QTPQQJRQNNRUHW-CGTJXYLNSA-N 1 0 319.445 3.056 10 0 DGAERO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000434906672 529860398 /nfs/dbraw/zinc/86/03/98/529860398.db2.gz XNQZAJGTPDVEJU-FQEVSTJZSA-N 1 0 314.473 3.200 10 0 DGAERO C[N@H+](C[C@H](O)CC1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309804486 529959583 /nfs/dbraw/zinc/95/95/83/529959583.db2.gz TWNLMWPFONBCII-VQTJNVASSA-N 1 0 316.489 3.134 10 0 DGAERO CCCNC(=O)CC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000129937418 432011621 /nfs/dbraw/zinc/01/16/21/432011621.db2.gz PLGSJJNKVOIAPQ-INIZCTEOSA-N 1 0 304.434 3.023 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000277928725 213863035 /nfs/dbraw/zinc/86/30/35/213863035.db2.gz QJTODAGJBPEAQV-NOZJJQNGSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1F ZINC000108973490 185544286 /nfs/dbraw/zinc/54/42/86/185544286.db2.gz BNDYIZSPKBVLGM-CVEARBPZSA-N 1 0 318.436 3.406 10 0 DGAERO CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CCc1ccc(F)cc1 ZINC000065595480 432012889 /nfs/dbraw/zinc/01/28/89/432012889.db2.gz PSZPYFZFVFYPPP-SFHVURJKSA-N 1 0 314.404 3.130 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(COC(C)C)c1 ZINC000068311693 190760063 /nfs/dbraw/zinc/76/00/63/190760063.db2.gz RMBXQNXBCUQVAJ-HNNXBMFYSA-N 1 0 321.465 3.463 10 0 DGAERO COC(=O)c1ccc(Cl)c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000181965483 199367468 /nfs/dbraw/zinc/36/74/68/199367468.db2.gz NMRQCTDZMNJQTI-WFASDCNBSA-N 1 0 324.852 3.041 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000130066914 432014458 /nfs/dbraw/zinc/01/44/58/432014458.db2.gz MMKZFMGCXNMXNG-DQVOVIAYSA-N 1 0 306.494 3.439 10 0 DGAERO C[C@@H](Cc1ccccc1F)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130068028 432014740 /nfs/dbraw/zinc/01/47/40/432014740.db2.gz OIGIILXUIFAQJB-UQPPLGOBSA-N 1 0 320.452 3.241 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000279676317 215053016 /nfs/dbraw/zinc/05/30/16/215053016.db2.gz IINBPEALHIXKFG-CQSZACIVSA-N 1 0 308.491 3.394 10 0 DGAERO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000126541186 185872328 /nfs/dbraw/zinc/87/23/28/185872328.db2.gz VAJWKUKCCTVSEZ-DZGCQCFKSA-N 1 0 320.408 3.028 10 0 DGAERO CSC[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000066767532 432021103 /nfs/dbraw/zinc/02/11/03/432021103.db2.gz DAORRMUCAGMEQV-DOTOQJQBSA-N 1 0 320.502 3.156 10 0 DGAERO CCc1c(C)nc(-c2ccccc2)nc1NC[C@@H]1CCC[NH2+]C1 ZINC000070456197 190896533 /nfs/dbraw/zinc/89/65/33/190896533.db2.gz VDRWRQCMYUFKNT-OAHLLOKOSA-N 1 0 310.445 3.426 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1sccc1Br ZINC000083550927 192372839 /nfs/dbraw/zinc/37/28/39/192372839.db2.gz GFVGIKZRUABCES-WDEREUQCSA-N 1 0 315.280 3.179 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(Cl)c(C)c1 ZINC000182022912 199375563 /nfs/dbraw/zinc/37/55/63/199375563.db2.gz RDCRTJLJMLVFTR-UONOGXRCSA-N 1 0 322.840 3.134 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000084063086 192398967 /nfs/dbraw/zinc/39/89/67/192398967.db2.gz ANFYORAWUAASFP-JQWIXIFHSA-N 1 0 309.479 3.020 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1Cl ZINC000084061537 192399253 /nfs/dbraw/zinc/39/92/53/192399253.db2.gz VGLKQUMSZIXLIL-ONGXEEELSA-N 1 0 301.217 3.265 10 0 DGAERO CN1C[C@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCC1=O ZINC000084062544 192399582 /nfs/dbraw/zinc/39/95/82/192399582.db2.gz JSTFHLMYMDGKAS-DGCLKSJQSA-N 1 0 310.850 3.087 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000047925019 545686560 /nfs/dbraw/zinc/68/65/60/545686560.db2.gz HISLUTHSASDFNR-RYUDHWBXSA-N 1 0 313.392 3.055 10 0 DGAERO C[C@H](NC(=O)C1([NH3+])Cc2ccccc2C1)c1ccccc1Cl ZINC000150716967 186059921 /nfs/dbraw/zinc/05/99/21/186059921.db2.gz YFHRRLFKFRAWMF-LBPRGKRZSA-N 1 0 314.816 3.014 10 0 DGAERO CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106901554 432024898 /nfs/dbraw/zinc/02/48/98/432024898.db2.gz XSNUNDLCYFWFOF-IBGZPJMESA-N 1 0 310.441 3.208 10 0 DGAERO c1nnc([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1C1CC1 ZINC000152481095 186078031 /nfs/dbraw/zinc/07/80/31/186078031.db2.gz BASXWORLYMRBOK-QGZVFWFLSA-N 1 0 310.445 3.425 10 0 DGAERO CCCCC[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000164047350 186147084 /nfs/dbraw/zinc/14/70/84/186147084.db2.gz TVFGXQNBENEART-KRWDZBQOSA-N 1 0 303.450 3.441 10 0 DGAERO Cc1cccc(C)c1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171504652 186169915 /nfs/dbraw/zinc/16/99/15/186169915.db2.gz ZZNLLKYZVCISIP-INIZCTEOSA-N 1 0 301.434 3.396 10 0 DGAERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(C(F)(F)F)cc1 ZINC000173299055 186173653 /nfs/dbraw/zinc/17/36/53/186173653.db2.gz QCFIJUPHRRRLRC-GFCCVEGCSA-N 1 0 314.351 3.369 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000173302232 186174425 /nfs/dbraw/zinc/17/44/25/186174425.db2.gz SFGATZNMTWRMJE-BBRMVZONSA-N 1 0 323.868 3.007 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000164262072 186153914 /nfs/dbraw/zinc/15/39/14/186153914.db2.gz ANUQWNNBCNNMQC-SKDRFNHKSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@@H](CCNC(=O)N(C)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000175643396 186183933 /nfs/dbraw/zinc/18/39/33/186183933.db2.gz PQPAVERQSSGVJQ-HNNXBMFYSA-N 1 0 303.450 3.091 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc2c(c1)CCO2 ZINC000177910541 186202812 /nfs/dbraw/zinc/20/28/12/186202812.db2.gz HOUOZQIPVAMNAG-AWEZNQCLSA-N 1 0 320.396 3.053 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccccc2Cl)C1 ZINC000187987988 186239720 /nfs/dbraw/zinc/23/97/20/186239720.db2.gz HRXXPSLLLJXOHP-SUMWQHHRSA-N 1 0 324.852 3.152 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000188051270 186249943 /nfs/dbraw/zinc/24/99/43/186249943.db2.gz PBUSPMUYDIDTLR-ZIAGYGMSSA-N 1 0 322.399 3.011 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000130499007 432026344 /nfs/dbraw/zinc/02/63/44/432026344.db2.gz TWSRAAXHWONTEH-SMDDNHRTSA-N 1 0 306.793 3.128 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccnc2)cc1 ZINC000171912664 198007336 /nfs/dbraw/zinc/00/73/36/198007336.db2.gz FDZKFTMVCUWDPS-OAHLLOKOSA-N 1 0 311.429 3.172 10 0 DGAERO CCC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171898313 198004105 /nfs/dbraw/zinc/00/41/05/198004105.db2.gz ONIXHMFMSBNYHI-IAGOWNOFSA-N 1 0 301.434 3.017 10 0 DGAERO CC[C@@H](OC1CCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130576641 432027301 /nfs/dbraw/zinc/02/73/01/432027301.db2.gz QDNDSPPQMLWTHF-LEOMRAHMSA-N 1 0 324.509 3.351 10 0 DGAERO Cc1nc2ccccc2nc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172578468 198117985 /nfs/dbraw/zinc/11/79/85/198117985.db2.gz UKLKKNICVSZPBL-QGZVFWFLSA-N 1 0 324.472 3.389 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1cccs1 ZINC000172603586 198122571 /nfs/dbraw/zinc/12/25/71/198122571.db2.gz SKUQDHOONVZNDI-ZJUUUORDSA-N 1 0 309.822 3.474 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2SC)[C@H](C)C1 ZINC000172608564 198123485 /nfs/dbraw/zinc/12/34/85/198123485.db2.gz SBFNBKSLXXUJBW-HIFRSBDPSA-N 1 0 306.475 3.211 10 0 DGAERO Cc1ccc(CC(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)s1 ZINC000067205542 432027688 /nfs/dbraw/zinc/02/76/88/432027688.db2.gz MHHCDCZUECEHKH-HNNXBMFYSA-N 1 0 314.454 3.119 10 0 DGAERO C/C(=C\C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000172621357 198126974 /nfs/dbraw/zinc/12/69/74/198126974.db2.gz XVBIUVRMECGRSA-MKLFLIHKSA-N 1 0 304.409 3.170 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)c2ccc(-c3ncon3)cc2)c1 ZINC000107110156 432028209 /nfs/dbraw/zinc/02/82/09/432028209.db2.gz OFZDIGHQQIMQJE-UHFFFAOYSA-N 1 0 322.368 3.051 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC2(C3CC3)CC2)C1 ZINC000130714057 432029128 /nfs/dbraw/zinc/02/91/28/432029128.db2.gz FCXMYMNWWZHBNY-AWEZNQCLSA-N 1 0 308.466 3.413 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccc(Cn2cncn2)cc1)Cc1ccccc1 ZINC000182051602 199379400 /nfs/dbraw/zinc/37/94/00/199379400.db2.gz PSMAZBBCWXHLNP-QGZVFWFLSA-N 1 0 320.440 3.295 10 0 DGAERO C[NH+]1CCC(NC(=O)N(Cc2ccoc2)C2CCCCC2)CC1 ZINC000173388974 198208913 /nfs/dbraw/zinc/20/89/13/198208913.db2.gz MEQQNPIYLGXXOJ-UHFFFAOYSA-N 1 0 319.449 3.218 10 0 DGAERO Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000173398362 198209927 /nfs/dbraw/zinc/20/99/27/198209927.db2.gz JVAOWXSRVGUXCK-KRWDZBQOSA-N 1 0 312.417 3.274 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000173709562 198243255 /nfs/dbraw/zinc/24/32/55/198243255.db2.gz UFWZHKHMDORJIC-ZDUSSCGKSA-N 1 0 317.408 3.281 10 0 DGAERO COc1ccc2cc([C@@H](C)[NH2+][C@H]3CCc4ncnn4C3)ccc2c1 ZINC000174084816 198288722 /nfs/dbraw/zinc/28/87/22/198288722.db2.gz VPDDBABNILXFDW-DYVFJYSZSA-N 1 0 322.412 3.106 10 0 DGAERO CC(C)[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Cl)cc1F ZINC000182089269 199385962 /nfs/dbraw/zinc/38/59/62/199385962.db2.gz PIZZADASSYUISK-WBMJQRKESA-N 1 0 312.816 3.387 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1c(F)cc(F)cc1F ZINC000174279414 198314701 /nfs/dbraw/zinc/31/47/01/198314701.db2.gz RERVZGMEFYNOOZ-JTQLQIEISA-N 1 0 315.339 3.100 10 0 DGAERO Cc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1C ZINC000107524611 432033122 /nfs/dbraw/zinc/03/31/22/432033122.db2.gz KDTVOPHUZPUMQN-SFHVURJKSA-N 1 0 300.446 3.394 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000174361458 198324168 /nfs/dbraw/zinc/32/41/68/198324168.db2.gz FXAFWJWWZSJYJT-JQWIXIFHSA-N 1 0 313.804 3.426 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2F)[C@H](C)C1 ZINC000174362893 198325711 /nfs/dbraw/zinc/32/57/11/198325711.db2.gz GFDGVMYZQNNLRM-IAQYHMDHSA-N 1 0 311.376 3.159 10 0 DGAERO O=C(c1cccc(F)c1F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107526278 432033403 /nfs/dbraw/zinc/03/34/03/432033403.db2.gz CPZOORCYOVXMMZ-ZDUSSCGKSA-N 1 0 308.372 3.055 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)c1cccnc1)CC(C)C ZINC000174826319 198390549 /nfs/dbraw/zinc/39/05/49/198390549.db2.gz BAMRKGLNVVYGHZ-NVXWUHKLSA-N 1 0 305.466 3.058 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131434125 432038070 /nfs/dbraw/zinc/03/80/70/432038070.db2.gz GICVDWWWOGEHGN-INIZCTEOSA-N 1 0 324.490 3.092 10 0 DGAERO CCc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)oc1CC ZINC000131489035 432039022 /nfs/dbraw/zinc/03/90/22/432039022.db2.gz HOTUTCVIBQKEKA-LSDHHAIUSA-N 1 0 304.434 3.103 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cnn(C)c2)o1 ZINC000131831090 432039350 /nfs/dbraw/zinc/03/93/50/432039350.db2.gz KLJNNOXTHRFYTJ-HNNXBMFYSA-N 1 0 311.389 3.049 10 0 DGAERO C[C@H](C(=O)OC(C)(C)C)N(C)CC1=Cc2ccccc2OC1 ZINC000131515885 432040468 /nfs/dbraw/zinc/04/04/68/432040468.db2.gz ASMPOEKFKRPHSC-CYBMUJFWSA-N 1 0 303.402 3.124 10 0 DGAERO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cccn2)CS1 ZINC000488417475 535263937 /nfs/dbraw/zinc/26/39/37/535263937.db2.gz DUUNCQSJBPJXPI-DOTOQJQBSA-N 1 0 301.459 3.492 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000107827234 432042181 /nfs/dbraw/zinc/04/21/81/432042181.db2.gz QFNRAKRPJDUPNQ-JKSUJKDBSA-N 1 0 319.449 3.309 10 0 DGAERO C[NH2+]C1CCN(C(=O)CSc2ccc(C(C)(C)C)cc2)CC1 ZINC000179138039 432044496 /nfs/dbraw/zinc/04/44/96/432044496.db2.gz SYITUVSLMFFYQX-UHFFFAOYSA-N 1 0 320.502 3.287 10 0 DGAERO C[NH2+]C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000179142312 432045216 /nfs/dbraw/zinc/04/52/16/432045216.db2.gz JJEKXYSFIFTPBK-UHFFFAOYSA-N 1 0 322.452 3.419 10 0 DGAERO C[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1[NH+]1CCCCC1 ZINC000073655106 191336823 /nfs/dbraw/zinc/33/68/23/191336823.db2.gz YVVMILIUYICIJG-NVXWUHKLSA-N 1 0 302.418 3.382 10 0 DGAERO CC(C)(CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000179183707 432048139 /nfs/dbraw/zinc/04/81/39/432048139.db2.gz QEELSKHYZPGZKI-GOSISDBHSA-N 1 0 314.473 3.441 10 0 DGAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000236822246 202026607 /nfs/dbraw/zinc/02/66/07/202026607.db2.gz SBIAZAFBSDGLDT-CYBMUJFWSA-N 1 0 304.390 3.184 10 0 DGAERO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCCCC1 ZINC000068047993 432049838 /nfs/dbraw/zinc/04/98/38/432049838.db2.gz NLBUPGLWQGHSSI-NSHDSACASA-N 1 0 304.217 3.219 10 0 DGAERO C[C@@H](CNC(=O)c1cccc2ncccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000068084554 432050111 /nfs/dbraw/zinc/05/01/11/432050111.db2.gz YDYGUWIRMZCKKL-CABCVRRESA-N 1 0 311.429 3.085 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000164626474 432050381 /nfs/dbraw/zinc/05/03/81/432050381.db2.gz JIZXJHSHDNGMGJ-SWLSCSKDSA-N 1 0 309.841 3.499 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000164708319 432051297 /nfs/dbraw/zinc/05/12/97/432051297.db2.gz AVTFKRJOACOROF-GUYCJALGSA-N 1 0 301.434 3.026 10 0 DGAERO COc1ccc(Cl)cc1[C@H](C)N[C@H]1CCCn2ncnc21 ZINC000164783254 432051758 /nfs/dbraw/zinc/05/17/58/432051758.db2.gz OOFRYQPOHGWPHW-GWCFXTLKSA-N 1 0 306.797 3.126 10 0 DGAERO CC[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(OC(F)F)cc1 ZINC000164775682 432051861 /nfs/dbraw/zinc/05/18/61/432051861.db2.gz VOJVWHVNTSYETC-ZIAGYGMSSA-N 1 0 322.359 3.455 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000081334328 192252188 /nfs/dbraw/zinc/25/21/88/192252188.db2.gz YQDAOQMUHDAZAT-OAHLLOKOSA-N 1 0 320.452 3.294 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc3ncccc32)C1 ZINC000081332994 192252275 /nfs/dbraw/zinc/25/22/75/192252275.db2.gz NJPLESCCIGUVGH-OAHLLOKOSA-N 1 0 311.429 3.039 10 0 DGAERO Cc1cncc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000184399276 199711990 /nfs/dbraw/zinc/71/19/90/199711990.db2.gz RZPSERHUKWKOEM-KGLIPLIRSA-N 1 0 307.438 3.344 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CCCO1 ZINC000179394436 432056807 /nfs/dbraw/zinc/05/68/07/432056807.db2.gz BZTIJSVNSBTLDY-CQSZACIVSA-N 1 0 300.377 3.499 10 0 DGAERO CCc1cc(C)c(C(=O)NCCC[N@H+](C)Cc2ccccc2)o1 ZINC000133073917 432057572 /nfs/dbraw/zinc/05/75/72/432057572.db2.gz PIQXQHBHNMOMJQ-UHFFFAOYSA-N 1 0 314.429 3.402 10 0 DGAERO CCOC(=O)CCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000081544934 192287545 /nfs/dbraw/zinc/28/75/45/192287545.db2.gz XGJWQBZUQUBHLO-LLVKDONJSA-N 1 0 314.223 3.443 10 0 DGAERO CC(C)CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000179462875 432059551 /nfs/dbraw/zinc/05/95/51/432059551.db2.gz NPTQEGKDAXAQBW-QZTJIDSGSA-N 1 0 315.461 3.262 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000236912723 202067066 /nfs/dbraw/zinc/06/70/66/202067066.db2.gz VLXXVQBTOAOYDJ-IINYFYTJSA-N 1 0 303.431 3.430 10 0 DGAERO C[NH+](C)CCCC1CCN(C(=O)NCCC2CCCC2)CC1 ZINC000179500785 432060303 /nfs/dbraw/zinc/06/03/03/432060303.db2.gz MOHLHKYOCBMLDN-UHFFFAOYSA-N 1 0 309.498 3.330 10 0 DGAERO CCO[C@H]1C[C@H](N(C)C(=O)CCCCCC[NH3+])C12CCCC2 ZINC000236957880 202092776 /nfs/dbraw/zinc/09/27/76/202092776.db2.gz FGQKNXLPVNOSTK-HOTGVXAUSA-N 1 0 310.482 3.092 10 0 DGAERO C[NH2+]C1CCN(C(=O)CCCCOc2cc(C)ccc2C)CC1 ZINC000237061999 202138675 /nfs/dbraw/zinc/13/86/75/202138675.db2.gz VCUXVRSPJAQVTG-UHFFFAOYSA-N 1 0 318.461 3.063 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000237106281 202154936 /nfs/dbraw/zinc/15/49/36/202154936.db2.gz CICSSGZJRITNLZ-LBPRGKRZSA-N 1 0 313.353 3.053 10 0 DGAERO C[NH2+]C1CCN(C(=O)C2(c3cccc(C)c3)CCCC2)CC1 ZINC000237106957 202155324 /nfs/dbraw/zinc/15/53/24/202155324.db2.gz QJSZGQXLODLVCS-UHFFFAOYSA-N 1 0 300.446 3.017 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000237137956 202164157 /nfs/dbraw/zinc/16/41/57/202164157.db2.gz USTVAOIFKDLGOA-UHFFFAOYSA-N 1 0 308.425 3.101 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2sc3ccc(F)cc3c2C)CC1 ZINC000237161951 202171757 /nfs/dbraw/zinc/17/17/57/202171757.db2.gz RUPXQCHPCPRKGJ-UHFFFAOYSA-N 1 0 306.406 3.173 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(c3cnn(C)c3)C1)CCC2 ZINC000166704372 432062287 /nfs/dbraw/zinc/06/22/87/432062287.db2.gz ATWAHYKINTWMFI-XLIONFOSSA-N 1 0 324.472 3.365 10 0 DGAERO Cc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(OC(F)F)cc1C ZINC000179550142 432062022 /nfs/dbraw/zinc/06/20/22/432062022.db2.gz UWILMLOUXRKVSA-OAHLLOKOSA-N 1 0 310.388 3.185 10 0 DGAERO Brc1cncc(C[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000166891382 432062934 /nfs/dbraw/zinc/06/29/34/432062934.db2.gz LMNUHHXBSYSFNE-AWEZNQCLSA-N 1 0 319.202 3.458 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(Nc3ccccc3)nc2)C1 ZINC000166785112 432063424 /nfs/dbraw/zinc/06/34/24/432063424.db2.gz KYUFFXAWNVQSJQ-KBPBESRZSA-N 1 0 310.401 3.281 10 0 DGAERO COc1ccc([C@H](C)NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1F ZINC000237243573 202201531 /nfs/dbraw/zinc/20/15/31/202201531.db2.gz ZIVMOXZJISOYCR-OLZOCXBDSA-N 1 0 322.424 3.037 10 0 DGAERO COc1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000237243784 202204021 /nfs/dbraw/zinc/20/40/21/202204021.db2.gz ULHOOPSGDQLFPF-BLLLJJGKSA-N 1 0 316.376 3.102 10 0 DGAERO COc1ccccc1NC(=O)CNC1(c2cccc(F)c2)CC1 ZINC000179684866 432067576 /nfs/dbraw/zinc/06/75/76/432067576.db2.gz VZKXMGNFILVIAP-UHFFFAOYSA-N 1 0 314.360 3.052 10 0 DGAERO Cc1cc(C)n2c(C[N@H+]3CCC[C@H]3c3cccn3C)cnc2n1 ZINC000179707036 432068159 /nfs/dbraw/zinc/06/81/59/432068159.db2.gz VCBNWPFDONNVCT-KRWDZBQOSA-N 1 0 309.417 3.022 10 0 DGAERO Cc1ccccc1[C@H]([NH2+][C@H](C)C[S@](C)=O)c1ccccc1 ZINC000168530702 432068795 /nfs/dbraw/zinc/06/87/95/432068795.db2.gz WKAJVVYTGMCUQE-FQELHTAISA-N 1 0 301.455 3.441 10 0 DGAERO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000179746275 432069374 /nfs/dbraw/zinc/06/93/74/432069374.db2.gz AFVSCKCTKXRFIB-CQSZACIVSA-N 1 0 310.825 3.010 10 0 DGAERO COc1c(C)ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000179734798 432069501 /nfs/dbraw/zinc/06/95/01/432069501.db2.gz OMEBMYVZQASGFY-DZGCQCFKSA-N 1 0 317.433 3.012 10 0 DGAERO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)NC(C)(C)CC ZINC000179749377 432069693 /nfs/dbraw/zinc/06/96/93/432069693.db2.gz CXZYODLJQYAJRV-OAHLLOKOSA-N 1 0 306.450 3.431 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc1NC(C)=O ZINC000168701168 432070266 /nfs/dbraw/zinc/07/02/66/432070266.db2.gz HGVMCKQOKOOJAV-FZMZJTMJSA-N 1 0 308.447 3.200 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1ccc2[nH]ccc2c1 ZINC000179812187 432071497 /nfs/dbraw/zinc/07/14/97/432071497.db2.gz CJJXITNUXAVZGR-OAHLLOKOSA-N 1 0 313.445 3.091 10 0 DGAERO C[C@H]1CCN(c2ncc(Cl)cc2Br)[C@@H](C[NH3+])C1 ZINC000235626940 290594907 /nfs/dbraw/zinc/59/49/07/290594907.db2.gz GNVXHLUQALGXCS-WCBMZHEXSA-N 1 0 318.646 3.061 10 0 DGAERO CCOCc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1OC ZINC000179902283 432073352 /nfs/dbraw/zinc/07/33/52/432073352.db2.gz RUOKXHCSCJUYOA-CRAIPNDOSA-N 1 0 320.477 3.146 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccccc2)cn1 ZINC000180053282 199112078 /nfs/dbraw/zinc/11/20/78/199112078.db2.gz DQUJAICEJGMGNI-GOSISDBHSA-N 1 0 321.428 3.158 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2F)[C@@H]1c1ccccc1 ZINC000180142924 199121925 /nfs/dbraw/zinc/12/19/25/199121925.db2.gz VZHQPKRBPWKZJI-WBVHZDCISA-N 1 0 316.351 3.140 10 0 DGAERO COc1ccc([C@H](C)C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000180125449 199120319 /nfs/dbraw/zinc/12/03/19/199120319.db2.gz ANFVAZSWKRZXKW-MRXNPFEDSA-N 1 0 313.445 3.407 10 0 DGAERO C[C@H](Oc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180126003 199120466 /nfs/dbraw/zinc/12/04/66/199120466.db2.gz QQJFUNKQZCEOTC-ZYSHUDEJSA-N 1 0 324.424 3.016 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1Cc1cnn2ccccc12)c1ccccc1 ZINC000180241408 199135222 /nfs/dbraw/zinc/13/52/22/199135222.db2.gz JABIISAVDVVWJP-UYAOXDASSA-N 1 0 321.424 3.422 10 0 DGAERO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000185269580 199833108 /nfs/dbraw/zinc/83/31/08/199833108.db2.gz BUGADPPXOSECNT-AWEZNQCLSA-N 1 0 321.440 3.116 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cccc(F)c1F)CC2 ZINC000180504726 199168383 /nfs/dbraw/zinc/16/83/83/199168383.db2.gz SITKIPPUYRPWGI-VXGBXAGGSA-N 1 0 320.387 3.345 10 0 DGAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(-c2ccccc2)o1 ZINC000180581258 199180003 /nfs/dbraw/zinc/18/00/03/199180003.db2.gz JQAWDHISQMTFKA-ZFWWWQNUSA-N 1 0 308.385 3.204 10 0 DGAERO C[C@H]([NH3+])CCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000237413154 202257510 /nfs/dbraw/zinc/25/75/10/202257510.db2.gz RFYTYXAGGYFAQZ-NSHDSACASA-N 1 0 317.414 3.066 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)no1 ZINC000180725482 199201938 /nfs/dbraw/zinc/20/19/38/199201938.db2.gz JRPUNNOFOUSUAJ-VIFPVBQESA-N 1 0 311.744 3.065 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1 ZINC000180041890 432077365 /nfs/dbraw/zinc/07/73/65/432077365.db2.gz ANHAELONCWJAGA-GHTZIAJQSA-N 1 0 324.468 3.395 10 0 DGAERO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000181013434 199241005 /nfs/dbraw/zinc/24/10/05/199241005.db2.gz IWXHFKWZJOUMMJ-KYJSFNMBSA-N 1 0 318.461 3.130 10 0 DGAERO C[C@@H](NC(=O)CCCCN1CCOCC1)c1cccc(Cl)c1 ZINC000170681898 432077557 /nfs/dbraw/zinc/07/75/57/432077557.db2.gz FOLWYQBXQQEHAK-CQSZACIVSA-N 1 0 324.852 3.020 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(Br)c1 ZINC000403442986 293871414 /nfs/dbraw/zinc/87/14/14/293871414.db2.gz DEZDIFDNDSHGQO-PZTHBURQSA-N 1 0 310.235 3.261 10 0 DGAERO Cc1cccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180188695 432081331 /nfs/dbraw/zinc/08/13/31/432081331.db2.gz TVGDGBUCXBCQFR-AZUAARDMSA-N 1 0 308.425 3.099 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cncc(-c2ccccc2)c1 ZINC000134586406 432081354 /nfs/dbraw/zinc/08/13/54/432081354.db2.gz YWDMORODWWEEQY-INIZCTEOSA-N 1 0 323.440 3.353 10 0 DGAERO Cc1ccc([C@@H]([NH2+]CCCOCCO)c2ccccc2)c(C)c1 ZINC000180236024 432081714 /nfs/dbraw/zinc/08/17/14/432081714.db2.gz JGAQWGRHZKVKQW-FQEVSTJZSA-N 1 0 313.441 3.381 10 0 DGAERO CC(C)C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170826268 432083550 /nfs/dbraw/zinc/08/35/50/432083550.db2.gz PDPGBYRDTMBIQU-SJORKVTESA-N 1 0 303.450 3.119 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000186771370 200007097 /nfs/dbraw/zinc/00/70/97/200007097.db2.gz WSZWNBPYQOTNKD-CJNGLKHVSA-N 1 0 320.864 3.266 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000170863563 432084626 /nfs/dbraw/zinc/08/46/26/432084626.db2.gz ZXRSXLDKNNXGJW-MRXNPFEDSA-N 1 0 310.397 3.255 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)CC2 ZINC000187281059 200088369 /nfs/dbraw/zinc/08/83/69/200088369.db2.gz JJKVNZWKFRBJIW-RDJZCZTQSA-N 1 0 312.461 3.185 10 0 DGAERO Cn1ncc(Cl)c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000187441009 200112914 /nfs/dbraw/zinc/11/29/14/200112914.db2.gz BPKOABZIHFAHEJ-YOEHRIQHSA-N 1 0 319.836 3.162 10 0 DGAERO CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000187792297 200157408 /nfs/dbraw/zinc/15/74/08/200157408.db2.gz AYQYVIVAPWMLLC-HOTGVXAUSA-N 1 0 317.477 3.464 10 0 DGAERO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170858628 432085021 /nfs/dbraw/zinc/08/50/21/432085021.db2.gz JOLRYZMRYGRUTJ-GFCCVEGCSA-N 1 0 306.793 3.171 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000187687805 200144777 /nfs/dbraw/zinc/14/47/77/200144777.db2.gz HJAVTUHYSDYUMY-DOMZBBRYSA-N 1 0 302.422 3.380 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187911219 200174976 /nfs/dbraw/zinc/17/49/76/200174976.db2.gz ZOYLABRGIOSAON-YVEFUNNKSA-N 1 0 324.852 3.070 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188116583 200195886 /nfs/dbraw/zinc/19/58/86/200195886.db2.gz JXHYDHQOVUYJIW-AYBZRNKSSA-N 1 0 324.472 3.489 10 0 DGAERO Cc1nc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)sc1C ZINC000188066627 200188441 /nfs/dbraw/zinc/18/84/41/200188441.db2.gz LLRSJEPTHNPTRY-KBPBESRZSA-N 1 0 308.472 3.029 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237615967 202305810 /nfs/dbraw/zinc/30/58/10/202305810.db2.gz NZUAPWHPRGKHOI-CYBMUJFWSA-N 1 0 321.490 3.229 10 0 DGAERO C[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000237580157 202292041 /nfs/dbraw/zinc/29/20/41/202292041.db2.gz BWORAHOAASWTHS-NSHDSACASA-N 1 0 314.351 3.272 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1 ZINC000188203670 200208998 /nfs/dbraw/zinc/20/89/98/200208998.db2.gz BZTJOJYRIMWIII-IAGOWNOFSA-N 1 0 314.408 3.325 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000134803342 432086082 /nfs/dbraw/zinc/08/60/82/432086082.db2.gz DBLCHHYIIBAGBZ-QWHCGFSZSA-N 1 0 310.388 3.011 10 0 DGAERO CCc1cccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000189139140 200354634 /nfs/dbraw/zinc/35/46/34/200354634.db2.gz LDBKEFXWUQSNII-UHFFFAOYSA-N 1 0 310.445 3.140 10 0 DGAERO c1csc([C@H](Cc2ccncc2)[NH2+]CC[C@H]2CCOC2)c1 ZINC000424282553 237889016 /nfs/dbraw/zinc/88/90/16/237889016.db2.gz QJTZLVSUYMCOPG-HOTGVXAUSA-N 1 0 302.443 3.443 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)c2)cn1 ZINC000430119578 238067796 /nfs/dbraw/zinc/06/77/96/238067796.db2.gz DOQSINULDFKFSW-HNNXBMFYSA-N 1 0 317.458 3.182 10 0 DGAERO Cc1cc2cc([C@@H](C)[NH2+][C@H]3CCc4ncnn4C3)oc2cc1C ZINC000180598107 432090961 /nfs/dbraw/zinc/09/09/61/432090961.db2.gz VIUBQZHRCCCQTE-HIFRSBDPSA-N 1 0 310.401 3.307 10 0 DGAERO O=C(C[C@@H]1CCCc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000170979886 432090845 /nfs/dbraw/zinc/09/08/45/432090845.db2.gz BWNVOOCMFIZSJU-KRWDZBQOSA-N 1 0 312.457 3.193 10 0 DGAERO Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180600570 432091713 /nfs/dbraw/zinc/09/17/13/432091713.db2.gz XFZWJIJIJRSITE-RNCFNFMXSA-N 1 0 323.227 3.177 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CCC[C@H]1CCOC1 ZINC000449680420 240367341 /nfs/dbraw/zinc/36/73/41/240367341.db2.gz GRVPVKMGBSAQOR-ZDUSSCGKSA-N 1 0 303.431 3.111 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)CC2 ZINC000180623389 432093427 /nfs/dbraw/zinc/09/34/27/432093427.db2.gz FFTZTFFWCQZKOX-ZYHUDNBSSA-N 1 0 322.815 3.299 10 0 DGAERO Cc1ccccc1OCC[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435122621 238275076 /nfs/dbraw/zinc/27/50/76/238275076.db2.gz BMNSKUXSDNCCOF-UHFFFAOYSA-N 1 0 311.385 3.489 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)c(C)cc1C)CC2 ZINC000180619447 432093321 /nfs/dbraw/zinc/09/33/21/432093321.db2.gz IRPNMOLBWNDWSE-HZPDHXFCSA-N 1 0 312.461 3.431 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1F ZINC000180636667 432094088 /nfs/dbraw/zinc/09/40/88/432094088.db2.gz FDMPQOIOUSMPHB-KDOFPFPSSA-N 1 0 316.424 3.269 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000180651606 432094780 /nfs/dbraw/zinc/09/47/80/432094780.db2.gz VVLVXHXGBAPTBY-HIFRSBDPSA-N 1 0 314.433 3.076 10 0 DGAERO CSc1ccc(CNC(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC000056944312 283635205 /nfs/dbraw/zinc/63/52/05/283635205.db2.gz MOEVCKLZFDVZCU-UHFFFAOYSA-N 1 0 323.506 3.138 10 0 DGAERO COc1ccc(N(Cc2cccs2)C(=O)CC[C@H](C)[NH3+])cc1 ZINC000193178230 201003306 /nfs/dbraw/zinc/00/33/06/201003306.db2.gz BGGLBTFRKMBDKI-ZDUSSCGKSA-N 1 0 318.442 3.417 10 0 DGAERO C[C@H]([NH3+])CCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000193177691 201003375 /nfs/dbraw/zinc/00/33/75/201003375.db2.gz CZCPBTKHQBLFJI-NSHDSACASA-N 1 0 315.442 3.365 10 0 DGAERO C[NH+](C)C1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000193719876 201110066 /nfs/dbraw/zinc/11/00/66/201110066.db2.gz KJWPFEVWMLOVBX-UHFFFAOYSA-N 1 0 303.837 3.414 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000246124617 432096809 /nfs/dbraw/zinc/09/68/09/432096809.db2.gz QWLBHYMSITXNRO-OCCSQVGLSA-N 1 0 320.868 3.362 10 0 DGAERO CCOC(=O)CCC[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000171037278 432096824 /nfs/dbraw/zinc/09/68/24/432096824.db2.gz MVIMRATUODWVOO-CYBMUJFWSA-N 1 0 310.463 3.228 10 0 DGAERO CC[C@H]1C[N@H+](CC[C@@H](C)c2ccccc2)CCN1CCOC ZINC000193900501 201142092 /nfs/dbraw/zinc/14/20/92/201142092.db2.gz NFIXHMDUHIZIQR-MJGOQNOKSA-N 1 0 304.478 3.223 10 0 DGAERO CCc1nc2n(n1)CCC[C@H]2[NH2+]CCSCc1ccccc1 ZINC000193913911 201144178 /nfs/dbraw/zinc/14/41/78/201144178.db2.gz XAVWESNABABUPM-OAHLLOKOSA-N 1 0 316.474 3.198 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000281493516 216338856 /nfs/dbraw/zinc/33/88/56/216338856.db2.gz QQLVJQDIGYNQFN-BXKDBHETSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2cnc(-c3ccco3)s2)CC[N@@H+]1C ZINC000194412840 201221999 /nfs/dbraw/zinc/22/19/99/201221999.db2.gz DEKLYUMNEPOZNT-OLZOCXBDSA-N 1 0 305.447 3.318 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000246134821 432098092 /nfs/dbraw/zinc/09/80/92/432098092.db2.gz ROPKOPPAPJJEBH-SOUVJXGZSA-N 1 0 310.235 3.330 10 0 DGAERO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC(=O)N(C)CC2CC2)cc1 ZINC000441337057 239035418 /nfs/dbraw/zinc/03/54/18/239035418.db2.gz CJQOXRFVEQCTHH-RTBURBONSA-N 1 0 314.473 3.431 10 0 DGAERO CC(C)[C@@H]1C[N@H+](Cc2ccc3c(c2)sc(=O)n3C)CCS1 ZINC000195041437 201330291 /nfs/dbraw/zinc/33/02/91/201330291.db2.gz NXYXIVWSURIYOP-HNNXBMFYSA-N 1 0 322.499 3.173 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000443235477 239186383 /nfs/dbraw/zinc/18/63/83/239186383.db2.gz CHHCIKZSIOXILD-CVEARBPZSA-N 1 0 319.493 3.374 10 0 DGAERO C[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443611074 239216920 /nfs/dbraw/zinc/21/69/20/239216920.db2.gz UBAHWGPOJVTZAA-YRGRVCCFSA-N 1 0 301.352 3.197 10 0 DGAERO Cc1cc(Cl)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000180783559 432100425 /nfs/dbraw/zinc/10/04/25/432100425.db2.gz HWZAPNFVJZQUSG-KBPBESRZSA-N 1 0 306.837 3.266 10 0 DGAERO CCOC(=O)CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000070248016 283736564 /nfs/dbraw/zinc/73/65/64/283736564.db2.gz SIBHSSNUBLRKTC-NSHDSACASA-N 1 0 314.223 3.443 10 0 DGAERO C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246193880 202571761 /nfs/dbraw/zinc/57/17/61/202571761.db2.gz DJXDTGZWXVOOGG-FRRDWIJNSA-N 1 0 317.458 3.333 10 0 DGAERO CC[C@H](C)Oc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000171081369 432101511 /nfs/dbraw/zinc/10/15/11/432101511.db2.gz AAKKRCSSYJQQEM-ZFWWWQNUSA-N 1 0 305.422 3.032 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[C@@H]1C ZINC000247182225 202651226 /nfs/dbraw/zinc/65/12/26/202651226.db2.gz ZFOXVJSKKCWKPI-CWSCBRNRSA-N 1 0 311.223 3.164 10 0 DGAERO Cc1[nH+]c2c(n1[C@@H]1CCN(c3ccnc(C4CC4)n3)C1)CCCC2 ZINC000275505301 212379932 /nfs/dbraw/zinc/37/99/32/212379932.db2.gz WXXYWKFLLVHINT-OAHLLOKOSA-N 1 0 323.444 3.189 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)N(C)C1CCC1)Cc1ccccc1 ZINC000073652682 283778375 /nfs/dbraw/zinc/77/83/75/283778375.db2.gz YCFUGVKAYNCUNK-GOSISDBHSA-N 1 0 317.477 3.133 10 0 DGAERO COc1cc(C[NH2+][C@H]2CC[C@H](C)C2)cc(Br)c1O ZINC000135172353 432103991 /nfs/dbraw/zinc/10/39/91/432103991.db2.gz RECZYCXODYVORO-ONGXEEELSA-N 1 0 314.223 3.442 10 0 DGAERO C[C@@H](C[NH2+]C[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000449173106 240050529 /nfs/dbraw/zinc/05/05/29/240050529.db2.gz NAXRBJGZJYQJPF-XJKSGUPXSA-N 1 0 305.368 3.434 10 0 DGAERO C[C@H](CCc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246174684 432104399 /nfs/dbraw/zinc/10/43/99/432104399.db2.gz LKFTUPHMGYCFJZ-SOLBZPMBSA-N 1 0 317.477 3.132 10 0 DGAERO c1ccc([C@H]([NH2+][C@H]2CCOC3(CCC3)C2)[C@@H]2CCOC2)cc1 ZINC000449201876 240065771 /nfs/dbraw/zinc/06/57/71/240065771.db2.gz HPNQURZDXOIILR-SQNIBIBYSA-N 1 0 301.430 3.456 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449281091 240105589 /nfs/dbraw/zinc/10/55/89/240105589.db2.gz CDLYVLYUAQQYLM-DYESRHJHSA-N 1 0 322.452 3.146 10 0 DGAERO c1cn(-c2csc(C[NH2+]CCCC3CCOCC3)c2)cn1 ZINC000449355018 240152396 /nfs/dbraw/zinc/15/23/96/240152396.db2.gz UJUJXMOWTGZPBP-UHFFFAOYSA-N 1 0 305.447 3.230 10 0 DGAERO CSC1(C[NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000449400483 240176594 /nfs/dbraw/zinc/17/65/94/240176594.db2.gz IUAFBXWEWPRFJL-UHFFFAOYSA-N 1 0 307.282 3.199 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449405819 240182437 /nfs/dbraw/zinc/18/24/37/240182437.db2.gz OKWQIMPUOXUGTM-HZPDHXFCSA-N 1 0 309.475 3.396 10 0 DGAERO c1cc2ccc(C[NH2+]Cc3ccc4c(c3)OCCCCO4)nc2[nH]1 ZINC000449333312 240136387 /nfs/dbraw/zinc/13/63/87/240136387.db2.gz GNBYILIHRNWMNC-UHFFFAOYSA-N 1 0 323.396 3.404 10 0 DGAERO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449452275 240214311 /nfs/dbraw/zinc/21/43/11/240214311.db2.gz UANKOEMBPMLDPH-CYBMUJFWSA-N 1 0 307.434 3.281 10 0 DGAERO CC(C)c1csc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000246197205 432105105 /nfs/dbraw/zinc/10/51/05/432105105.db2.gz ISTRHMRJGZMAAF-NWDGAFQWSA-N 1 0 310.467 3.117 10 0 DGAERO C[C@@H](CC1CCCC1)[NH2+]Cc1nn(C)cc1Br ZINC000449484189 240236247 /nfs/dbraw/zinc/23/62/47/240236247.db2.gz LMTBKOHHVRDZMB-JTQLQIEISA-N 1 0 300.244 3.241 10 0 DGAERO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)C(C)C ZINC000449509528 240256472 /nfs/dbraw/zinc/25/64/72/240256472.db2.gz JEBLTNNHSFHGMA-PBHICJAKSA-N 1 0 305.422 3.048 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000449510566 240258491 /nfs/dbraw/zinc/25/84/91/240258491.db2.gz QJQHKTAHXRYWIH-FUHWJXTLSA-N 1 0 309.450 3.083 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCSC[C@H]3C3CC3)c2)cn1 ZINC000449528738 240268357 /nfs/dbraw/zinc/26/83/57/240268357.db2.gz ROYLYTQHOKCKNL-HNNXBMFYSA-N 1 0 305.472 3.261 10 0 DGAERO c1cnn(-c2cccc(C[N@@H+]3CCOCC34CCCCC4)c2)c1 ZINC000449625696 240327474 /nfs/dbraw/zinc/32/74/74/240327474.db2.gz SVJQZEYFPYPLJE-UHFFFAOYSA-N 1 0 311.429 3.407 10 0 DGAERO Cc1ccc(-c2n[nH]cc2CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246198484 432105730 /nfs/dbraw/zinc/10/57/30/432105730.db2.gz LQXMFAUTSWLWIF-HKUYNNGSSA-N 1 0 324.472 3.301 10 0 DGAERO CCC[C@](C)(CO)[NH2+]Cc1ccc(Br)cc1OC ZINC000180942371 432106098 /nfs/dbraw/zinc/10/60/98/432106098.db2.gz ZIKLBDWFPBZZIU-CQSZACIVSA-N 1 0 316.239 3.098 10 0 DGAERO CC[C@H]1N(C(=O)OCc2ccccc2)CCC[C@@]12CCC[NH2+]2 ZINC000091303095 193035190 /nfs/dbraw/zinc/03/51/90/193035190.db2.gz JRDBKLGLOKKWDZ-AEFFLSMTSA-N 1 0 302.418 3.320 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)C2CC2)cc1 ZINC000091347296 193045384 /nfs/dbraw/zinc/04/53/84/193045384.db2.gz NABDUJWUXMITNA-UYAOXDASSA-N 1 0 324.472 3.438 10 0 DGAERO CCC(CC)(CC)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091377879 193049389 /nfs/dbraw/zinc/04/93/89/193049389.db2.gz ZNZLKLZTFGIWQF-ZDUSSCGKSA-N 1 0 312.479 3.201 10 0 DGAERO CCCOc1ccc(CN2CCC([NH+](C)C)CC2)cc1OC ZINC000091671071 193089028 /nfs/dbraw/zinc/08/90/28/193089028.db2.gz RETXPUCHTAKGHF-UHFFFAOYSA-N 1 0 306.450 3.010 10 0 DGAERO CCCOc1cc(CN2CCC([NH+](C)C)CC2)ccc1OC ZINC000091671184 193089409 /nfs/dbraw/zinc/08/94/09/193089409.db2.gz XLDTUQDGROYDTK-UHFFFAOYSA-N 1 0 306.450 3.010 10 0 DGAERO CCOC[C@H]1CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091675515 193089774 /nfs/dbraw/zinc/08/97/74/193089774.db2.gz WTKQFOOINDQAGE-BBRMVZONSA-N 1 0 322.836 3.191 10 0 DGAERO COCCCCC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000091689682 193091519 /nfs/dbraw/zinc/09/15/19/193091519.db2.gz AZCRKMKXTOHPHL-INIZCTEOSA-N 1 0 308.441 3.321 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1nccs1 ZINC000091735389 193098927 /nfs/dbraw/zinc/09/89/27/193098927.db2.gz KZKYJOHBGRWPQK-MNOVXSKESA-N 1 0 309.385 3.351 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2nccs2)C1 ZINC000091736137 193099027 /nfs/dbraw/zinc/09/90/27/193099027.db2.gz JTHNRWGHKSQQJK-QWHCGFSZSA-N 1 0 303.431 3.081 10 0 DGAERO COc1c(C[N@H+](C)CCCCc2ccccc2)c(C)nn1C ZINC000091955753 193132849 /nfs/dbraw/zinc/13/28/49/193132849.db2.gz BMWWWSRYNJIJQB-UHFFFAOYSA-N 1 0 301.434 3.192 10 0 DGAERO CCOc1c(F)cccc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000079327294 283878533 /nfs/dbraw/zinc/87/85/33/283878533.db2.gz TXDADVBGPQGAEA-UHFFFAOYSA-N 1 0 322.424 3.076 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]1c1ccccc1 ZINC000079253333 283876581 /nfs/dbraw/zinc/87/65/81/283876581.db2.gz DBDUXEPSCHTTMW-RDJZCZTQSA-N 1 0 303.450 3.263 10 0 DGAERO C[C@]1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]1 ZINC000079515135 283882037 /nfs/dbraw/zinc/88/20/37/283882037.db2.gz AQGXDWFFBULFJY-IUODEOHRSA-N 1 0 310.850 3.135 10 0 DGAERO CN(CC1CC1)C(=O)C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451358388 241092787 /nfs/dbraw/zinc/09/27/87/241092787.db2.gz UVUTVLFGHONMCA-KRWDZBQOSA-N 1 0 324.827 3.388 10 0 DGAERO CCC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C ZINC000451433325 241121639 /nfs/dbraw/zinc/12/16/39/241121639.db2.gz GUVATWLHNVQATP-HNNXBMFYSA-N 1 0 306.406 3.158 10 0 DGAERO C[C@H](CNC(=O)c1c[nH]c2cc(F)ccc12)[N@@H+]1CCC[C@H](C)C1 ZINC000246220131 432108519 /nfs/dbraw/zinc/10/85/19/432108519.db2.gz YUQLDOFPFHIFRX-QWHCGFSZSA-N 1 0 317.408 3.157 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(Br)s1 ZINC000216411064 201492899 /nfs/dbraw/zinc/49/28/99/201492899.db2.gz XXVCPWCKOYLJPG-IVZWLZJFSA-N 1 0 304.253 3.465 10 0 DGAERO Cc1sccc1CC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000452342901 241393000 /nfs/dbraw/zinc/39/30/00/241393000.db2.gz JOFBDEOOJMPDQS-INIZCTEOSA-N 1 0 308.491 3.226 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@H](C2CC2)C2CCCC2)n1 ZINC000453236862 241683582 /nfs/dbraw/zinc/68/35/82/241683582.db2.gz ZATNOAAMFHBCPX-INIZCTEOSA-N 1 0 322.474 3.421 10 0 DGAERO Cc1nc(CN2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)cs1 ZINC000275276978 212242748 /nfs/dbraw/zinc/24/27/48/212242748.db2.gz JWZOAOQOGYYYNJ-HNNXBMFYSA-N 1 0 316.474 3.282 10 0 DGAERO Clc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000246271005 432113735 /nfs/dbraw/zinc/11/37/35/432113735.db2.gz AEPKRTZNIGMWBL-GOEBONIOSA-N 1 0 305.853 3.184 10 0 DGAERO C[C@H](c1ccc(C(=O)NCCCC[NH+](C)C)cc1)C(F)(F)F ZINC000455662691 242260814 /nfs/dbraw/zinc/26/08/14/242260814.db2.gz KLHUINWVZWNEGO-GFCCVEGCSA-N 1 0 316.367 3.424 10 0 DGAERO C[C@@](O)(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)c1ccccc1 ZINC000171225332 432114868 /nfs/dbraw/zinc/11/48/68/432114868.db2.gz OTIMFYOEBYCOON-HXUWFJFHSA-N 1 0 309.409 3.389 10 0 DGAERO C[C@@H](C(=O)N1CCC[C@H](C(F)(F)F)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171237522 432114890 /nfs/dbraw/zinc/11/48/90/432114890.db2.gz SSXBXWWFIGPTBJ-RNJOBUHISA-N 1 0 306.372 3.049 10 0 DGAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000092099782 193158875 /nfs/dbraw/zinc/15/88/75/193158875.db2.gz GVZKWQKLWJUMNO-MRXNPFEDSA-N 1 0 300.427 3.126 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2OC)[C@H](C)C1 ZINC000092102011 193158955 /nfs/dbraw/zinc/15/89/55/193158955.db2.gz YUPZWSPJNBLEDJ-DOMZBBRYSA-N 1 0 323.412 3.028 10 0 DGAERO COCc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000092785628 284008728 /nfs/dbraw/zinc/00/87/28/284008728.db2.gz OOKJCPBRMNVQOF-LJQANCHMSA-N 1 0 302.462 3.283 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1ccccc1)C(C)C ZINC000101786737 284019781 /nfs/dbraw/zinc/01/97/81/284019781.db2.gz FPERQVCQDODFNT-INIZCTEOSA-N 1 0 305.466 3.337 10 0 DGAERO CCCc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000092226422 193176772 /nfs/dbraw/zinc/17/67/72/193176772.db2.gz JBKXIOIMYKKVDU-GOEBONIOSA-N 1 0 301.434 3.340 10 0 DGAERO CCOC(=O)c1ccc(C[NH+]2CCC(OCC(C)C)CC2)o1 ZINC000092223367 193176953 /nfs/dbraw/zinc/17/69/53/193176953.db2.gz MKCOCVRGFBTPLC-UHFFFAOYSA-N 1 0 309.406 3.093 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC(C)(C)[C@@H]2C(C)C)CC1 ZINC000458456814 243064859 /nfs/dbraw/zinc/06/48/59/243064859.db2.gz MIRYNORCKNSKJH-INIZCTEOSA-N 1 0 309.498 3.184 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000245603200 299386078 /nfs/dbraw/zinc/38/60/78/299386078.db2.gz PUPSACLOKYRGHH-JFOHDYCDSA-N 1 0 308.853 3.100 10 0 DGAERO CCc1cccc(OCC[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000106184727 284043093 /nfs/dbraw/zinc/04/30/93/284043093.db2.gz MLAOXYAWUAERCC-UHFFFAOYSA-N 1 0 313.445 3.237 10 0 DGAERO O=C(Nc1cccc(Br)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252367993 202834230 /nfs/dbraw/zinc/83/42/30/202834230.db2.gz GKWPAVOWAHSHFX-HONMWMINSA-N 1 0 323.234 3.308 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000107394351 284054727 /nfs/dbraw/zinc/05/47/27/284054727.db2.gz AEMWALJQWIDYAO-FUHWJXTLSA-N 1 0 315.461 3.244 10 0 DGAERO CC[C@@H]1C[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000459032778 243233084 /nfs/dbraw/zinc/23/30/84/243233084.db2.gz UMYKTNZOIFVZNJ-KSZLIROESA-N 1 0 321.509 3.330 10 0 DGAERO c1cc([C@@H]2CCCN2Cc2cnc(C3CC3)nc2)cc2c1OCO2 ZINC000459322603 243334570 /nfs/dbraw/zinc/33/45/70/243334570.db2.gz CQFKQYMBSHEWJK-INIZCTEOSA-N 1 0 323.396 3.420 10 0 DGAERO CCn1nncc1CN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000459484482 243385739 /nfs/dbraw/zinc/38/57/39/243385739.db2.gz CYVDCMTYHGRHHU-OAHLLOKOSA-N 1 0 322.865 3.318 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H](C)OC)[C@H]1Sc1ccccc1 ZINC000459494300 243389673 /nfs/dbraw/zinc/38/96/73/243389673.db2.gz JGIGVQRMHPICJB-UQFXTHDASA-N 1 0 309.475 3.338 10 0 DGAERO OC[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1c(F)cccc1F ZINC000459408397 243360947 /nfs/dbraw/zinc/36/09/47/243360947.db2.gz FUQWWEIEXTXSDN-GRDNDAEWSA-N 1 0 303.352 3.392 10 0 DGAERO Cc1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000459426088 243365887 /nfs/dbraw/zinc/36/58/87/243365887.db2.gz ICHGUJBMCPIZNY-CJNGLKHVSA-N 1 0 305.447 3.217 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000112043474 284084467 /nfs/dbraw/zinc/08/44/67/284084467.db2.gz POTKAWVEFMFQII-XLIONFOSSA-N 1 0 324.468 3.154 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)c1ccccc1Cl ZINC000113232700 284100765 /nfs/dbraw/zinc/10/07/65/284100765.db2.gz KDYBLAFMJZUNKY-ZIAGYGMSSA-N 1 0 320.864 3.313 10 0 DGAERO c1ccc(-c2nc(SCCC[NH+]3CCCCC3)n[nH]2)cc1 ZINC000466453492 243916832 /nfs/dbraw/zinc/91/68/32/243916832.db2.gz GYJHWNWYHVFLES-UHFFFAOYSA-N 1 0 302.447 3.440 10 0 DGAERO CC[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000113582417 284103212 /nfs/dbraw/zinc/10/32/12/284103212.db2.gz QTQROPNGYZOBMY-LZLYRXPVSA-N 1 0 315.461 3.058 10 0 DGAERO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000116397369 284120972 /nfs/dbraw/zinc/12/09/72/284120972.db2.gz FXRLEISAKZOYLV-STQMWFEESA-N 1 0 310.486 3.384 10 0 DGAERO FC(F)(F)C(F)(F)COCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000469722087 244116895 /nfs/dbraw/zinc/11/68/95/244116895.db2.gz VVTLVNKVZOUMGZ-GHMZBOCLSA-N 1 0 301.299 3.323 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000246333630 432119675 /nfs/dbraw/zinc/11/96/75/432119675.db2.gz ONVSTTRGONUWNB-BFYDXBDKSA-N 1 0 303.450 3.119 10 0 DGAERO CCCc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000470173397 244151638 /nfs/dbraw/zinc/15/16/38/244151638.db2.gz KYYMKABQRAXFMA-SFHVURJKSA-N 1 0 300.446 3.386 10 0 DGAERO CC(C)C[C@H](C)[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000470360518 244168418 /nfs/dbraw/zinc/16/84/18/244168418.db2.gz CKNTXGHAGIFAIV-AAEUAGOBSA-N 1 0 303.368 3.279 10 0 DGAERO O=C(CC/C=C\c1ccccc1)NCC1CC[NH+](C2CC2)CC1 ZINC000470341128 244169122 /nfs/dbraw/zinc/16/91/22/244169122.db2.gz WTYFSJLBSKQZGZ-YWEYNIOJSA-N 1 0 312.457 3.471 10 0 DGAERO C[N@H+](Cc1cccc2[nH]ccc21)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104794 193204548 /nfs/dbraw/zinc/20/45/48/193204548.db2.gz OLVMSXSFPUHIDC-IBGZPJMESA-N 1 0 319.408 3.405 10 0 DGAERO CCOC(=O)c1ccc(C[N@H+](C)CCc2ccccc2OC)o1 ZINC000093105336 193204663 /nfs/dbraw/zinc/20/46/63/193204663.db2.gz QIGBRJMVRWRCSY-UHFFFAOYSA-N 1 0 317.385 3.139 10 0 DGAERO COc1ccccc1CC[N@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000093105297 193204235 /nfs/dbraw/zinc/20/42/35/193204235.db2.gz VGUSDGSXPBEDST-UHFFFAOYSA-N 1 0 322.412 3.155 10 0 DGAERO Cc1c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccccc1F ZINC000181241412 432120343 /nfs/dbraw/zinc/12/03/43/432120343.db2.gz JXUIIBFLMKZGQS-TZMCWYRMSA-N 1 0 302.397 3.214 10 0 DGAERO CC[C@@H]1CCCCCN1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000120185535 284162584 /nfs/dbraw/zinc/16/25/84/284162584.db2.gz GXVYDAULQGMSGQ-DLBZAZTESA-N 1 0 309.498 3.471 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)c(-c2cccnc2)n1 ZINC000093335130 193233361 /nfs/dbraw/zinc/23/33/61/193233361.db2.gz OLSPQEMGCCGRPH-MRXNPFEDSA-N 1 0 308.385 3.412 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000120050031 284159689 /nfs/dbraw/zinc/15/96/89/284159689.db2.gz XBGSCSWUWRWORS-OOHWJJMZSA-N 1 0 310.482 3.009 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)c1 ZINC000093398535 193244942 /nfs/dbraw/zinc/24/49/42/193244942.db2.gz WXJWBOCYJBALLM-CQSZACIVSA-N 1 0 324.428 3.248 10 0 DGAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000262717110 203391253 /nfs/dbraw/zinc/39/12/53/203391253.db2.gz WGKLJMNRNMKCDA-MJVIPROJSA-N 1 0 316.367 3.441 10 0 DGAERO COc1c(C)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000093597368 193272301 /nfs/dbraw/zinc/27/23/01/193272301.db2.gz MUIDPDYVVMDJRS-QGZVFWFLSA-N 1 0 302.462 3.230 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)Cc1cccc2c1OCO2 ZINC000093764161 193301602 /nfs/dbraw/zinc/30/16/02/193301602.db2.gz XZHJBNHZRWAKOW-UHFFFAOYSA-N 1 0 304.415 3.325 10 0 DGAERO COc1cccc(C[N@H+](C)CCc2ncc(C)s2)c1OC ZINC000093807259 193309842 /nfs/dbraw/zinc/30/98/42/193309842.db2.gz CMELQSQJVDAJAL-UHFFFAOYSA-N 1 0 306.431 3.143 10 0 DGAERO COCCOc1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000093807369 193309965 /nfs/dbraw/zinc/30/99/65/193309965.db2.gz UIUJXNQXRPBGSW-UHFFFAOYSA-N 1 0 320.458 3.151 10 0 DGAERO CCOC(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)o1 ZINC000093666193 193287082 /nfs/dbraw/zinc/28/70/82/193287082.db2.gz CHQRVGIDTZMPQM-HNNXBMFYSA-N 1 0 321.417 3.380 10 0 DGAERO Fc1ccc(F)c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000094372896 193366608 /nfs/dbraw/zinc/36/66/08/193366608.db2.gz FRLFOXZYXSAPTQ-CQSZACIVSA-N 1 0 313.413 3.499 10 0 DGAERO CCOc1nc2ccccc2nc1OCCC[C@H]1CCC[NH2+]C1 ZINC000095069745 193415564 /nfs/dbraw/zinc/41/55/64/193415564.db2.gz KWZLQYPQOGJPBH-CQSZACIVSA-N 1 0 315.417 3.187 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000246353457 432121939 /nfs/dbraw/zinc/12/19/39/432121939.db2.gz FVGQSOOACNOIDS-AIANPOQGSA-N 1 0 309.498 3.183 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2)cc1F ZINC000122026537 284211847 /nfs/dbraw/zinc/21/18/47/284211847.db2.gz RTNRBXGFVCJTFK-AWEZNQCLSA-N 1 0 300.377 3.101 10 0 DGAERO Cc1ccc(CC[NH2+]Cc2c(Br)cnn2C)c(C)c1 ZINC000486974726 245007414 /nfs/dbraw/zinc/00/74/14/245007414.db2.gz SVDWXUSZYFPIRZ-UHFFFAOYSA-N 1 0 322.250 3.132 10 0 DGAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000487281934 245044534 /nfs/dbraw/zinc/04/45/34/245044534.db2.gz UADYMIWNQFMINT-JQWIXIFHSA-N 1 0 314.271 3.487 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)c(F)cc2Cl)C1 ZINC000487321589 245050441 /nfs/dbraw/zinc/05/04/41/245050441.db2.gz DLBXRMYZSYUZJI-LLVKDONJSA-N 1 0 313.804 3.251 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000123113042 284232401 /nfs/dbraw/zinc/23/24/01/284232401.db2.gz KRGDJDXXODTUFX-LSDHHAIUSA-N 1 0 308.466 3.331 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000123392977 284237643 /nfs/dbraw/zinc/23/76/43/284237643.db2.gz STJZRGMAOIJNJD-RYUDHWBXSA-N 1 0 317.260 3.365 10 0 DGAERO Cc1nn(C)cc1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000123605837 284241990 /nfs/dbraw/zinc/24/19/90/284241990.db2.gz BOJFVVZUKYSXRY-SNVBAGLBSA-N 1 0 308.223 3.342 10 0 DGAERO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H](CO)[C@H]3C)n2)cc1 ZINC000488791238 245235419 /nfs/dbraw/zinc/23/54/19/245235419.db2.gz YBORUIZNPOODHE-CJNGLKHVSA-N 1 0 315.417 3.063 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(C(C)C)s2)[C@@H](C)C1 ZINC000246371619 432123545 /nfs/dbraw/zinc/12/35/45/432123545.db2.gz OAZNMOQAFYZNRW-STQMWFEESA-N 1 0 309.479 3.069 10 0 DGAERO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc(C)cc(OC)c2C)C[C@@H]1C ZINC000489724414 245338952 /nfs/dbraw/zinc/33/89/52/245338952.db2.gz LIEUVOZOUPZDLM-KBPBESRZSA-N 1 0 319.449 3.258 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)c1ccccc1F ZINC000124496552 284259826 /nfs/dbraw/zinc/25/98/26/284259826.db2.gz PXYIKOWXYUVHQZ-HNNXBMFYSA-N 1 0 320.452 3.484 10 0 DGAERO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)[C@@H]1CCCO1 ZINC000246376517 432124339 /nfs/dbraw/zinc/12/43/39/432124339.db2.gz JUFLAILRTRWZQU-MRAWALMUSA-N 1 0 320.433 3.262 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000125092208 284269722 /nfs/dbraw/zinc/26/97/22/284269722.db2.gz WERJHGWDAFGMFO-MYBQVCMBSA-N 1 0 307.482 3.081 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000125213391 284271685 /nfs/dbraw/zinc/27/16/85/284271685.db2.gz SLEVUIHXDHIRBJ-UHFFFAOYSA-N 1 0 317.477 3.257 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000125333304 284273683 /nfs/dbraw/zinc/27/36/83/284273683.db2.gz KPQYISNDGVCJJW-GPANFISMSA-N 1 0 319.449 3.247 10 0 DGAERO CCCCc1ccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000125492169 284277075 /nfs/dbraw/zinc/27/70/75/284277075.db2.gz ZRWLADUMWHBEPE-QFBILLFUSA-N 1 0 305.462 3.469 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000246384023 432125327 /nfs/dbraw/zinc/12/53/27/432125327.db2.gz QSYRJBJVZCUOKJ-CABCVRRESA-N 1 0 307.438 3.022 10 0 DGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000171378244 432126623 /nfs/dbraw/zinc/12/66/23/432126623.db2.gz MWYFPVVYYYFMLU-JQWIXIFHSA-N 1 0 319.371 3.338 10 0 DGAERO CCCCNc1ccccc1C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000127234673 284332104 /nfs/dbraw/zinc/33/21/04/284332104.db2.gz HEIRMDUYJYEHRE-MRXNPFEDSA-N 1 0 317.477 3.455 10 0 DGAERO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000127315646 284335193 /nfs/dbraw/zinc/33/51/93/284335193.db2.gz IOKQGTTYFOTBPU-WBVHZDCISA-N 1 0 316.445 3.485 10 0 DGAERO C[NH+]1CCC(CNC(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000127508802 284342925 /nfs/dbraw/zinc/34/29/25/284342925.db2.gz OJCHMMXHQWYALF-UHFFFAOYSA-N 1 0 322.452 3.349 10 0 DGAERO CCc1cc(C)c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000127864685 284355055 /nfs/dbraw/zinc/35/50/55/284355055.db2.gz IIBHFTVLWLDYGS-OAHLLOKOSA-N 1 0 304.434 3.098 10 0 DGAERO CCC1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000128524730 284378398 /nfs/dbraw/zinc/37/83/98/284378398.db2.gz BAVGZOAERHVGQV-ZGRYLRDCSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190186469 432129396 /nfs/dbraw/zinc/12/93/96/432129396.db2.gz NCLNVVZENSPXLG-QWRGUYRKSA-N 1 0 308.388 3.200 10 0 DGAERO CC[C@H](COC)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246412347 432129443 /nfs/dbraw/zinc/12/94/43/432129443.db2.gz MNEDVGRQHSYCKH-KCXAZCMYSA-N 1 0 314.832 3.239 10 0 DGAERO Cc1nc2cc(NC(=O)c3cccc(C[NH+](C)C)c3)ccc2o1 ZINC000128625740 284381643 /nfs/dbraw/zinc/38/16/43/284381643.db2.gz WCBOPPMCWPZBOA-UHFFFAOYSA-N 1 0 309.369 3.450 10 0 DGAERO C[C@H]([NH2+]CCN(C)C)c1cc2cc(Br)ccc2o1 ZINC000019256135 182112031 /nfs/dbraw/zinc/11/20/31/182112031.db2.gz DKPBVNMUSWXPCC-JTQLQIEISA-N 1 0 311.223 3.408 10 0 DGAERO CCCC1(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CCC1 ZINC000246438884 432130144 /nfs/dbraw/zinc/13/01/44/432130144.db2.gz NITFCTBQPYKOAJ-CVEARBPZSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(Br)s2)C1 ZINC000019404974 182121257 /nfs/dbraw/zinc/12/12/57/182121257.db2.gz WASSBMVYZGAZCH-ZJUUUORDSA-N 1 0 303.269 3.242 10 0 DGAERO COc1cc(OC)cc(O[C@@H](C[NH3+])c2cccc(Cl)c2)c1 ZINC000019671338 182134965 /nfs/dbraw/zinc/13/49/65/182134965.db2.gz MXNCYHCOWNPIAP-INIZCTEOSA-N 1 0 307.777 3.436 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CN2CCC1CC2)c1cccc(Br)c1 ZINC000019946510 182168756 /nfs/dbraw/zinc/16/87/56/182168756.db2.gz AAEQZVYXIKAPBJ-IAQYHMDHSA-N 1 0 309.251 3.194 10 0 DGAERO CC1(C)C[N@H+](CCOCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000190203871 432131714 /nfs/dbraw/zinc/13/17/14/432131714.db2.gz BLTVPXJSGJFQMB-VIFPVBQESA-N 1 0 307.278 3.476 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000190206034 432132068 /nfs/dbraw/zinc/13/20/68/432132068.db2.gz MZEIWTGNIGVCPI-MAUKXSAKSA-N 1 0 317.477 3.212 10 0 DGAERO CC(C)[C@@H](CNCc1ccc(Br)s1)[NH+](C)C ZINC000020145849 182192565 /nfs/dbraw/zinc/19/25/65/182192565.db2.gz IFQDXCMELFTFOD-LLVKDONJSA-N 1 0 305.285 3.186 10 0 DGAERO Cc1ccc(Oc2ncccc2C(N)=[NH2+])c(Br)c1 ZINC000020077908 182185526 /nfs/dbraw/zinc/18/55/26/182185526.db2.gz LQGKNZFDFJPSCR-UHFFFAOYSA-N 1 0 306.163 3.229 10 0 DGAERO CC(C)NC(=O)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020304561 182204304 /nfs/dbraw/zinc/20/43/04/182204304.db2.gz LIMGQJGRPLCERR-SNVBAGLBSA-N 1 0 303.233 3.039 10 0 DGAERO COc1ccc(-c2csc3ncnc(NCCC[NH3+])c23)cc1 ZINC000020322381 182207028 /nfs/dbraw/zinc/20/70/28/182207028.db2.gz OHPYRTUABOLNOP-UHFFFAOYSA-N 1 0 314.414 3.128 10 0 DGAERO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc([S@@](C)=O)cc1 ZINC000181496627 432132548 /nfs/dbraw/zinc/13/25/48/432132548.db2.gz IMTQPLQFYKMEBQ-SPLOXXLWSA-N 1 0 302.443 3.102 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c(Cl)c1 ZINC000020471395 182221902 /nfs/dbraw/zinc/22/19/02/182221902.db2.gz DCXMJWDECUOXBZ-INIZCTEOSA-N 1 0 300.789 3.301 10 0 DGAERO [NH3+][C@@H](Cc1nc2ccccc2o1)c1ccc(Br)o1 ZINC000020427635 182216426 /nfs/dbraw/zinc/21/64/26/182216426.db2.gz FVPTZOHJXNKQQE-QMMMGPOBSA-N 1 0 307.147 3.426 10 0 DGAERO FC(F)C(F)(F)CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000020518534 182226690 /nfs/dbraw/zinc/22/66/90/182226690.db2.gz PXNVWLFQJDFQIR-UHFFFAOYSA-N 1 0 304.331 3.141 10 0 DGAERO COc1c(Cl)cc(C[NH2+]CCCn2ccnc2)cc1Cl ZINC000020928583 182254605 /nfs/dbraw/zinc/25/46/05/182254605.db2.gz SRDQJMZBRFEPQW-UHFFFAOYSA-N 1 0 314.216 3.378 10 0 DGAERO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(Cl)c(F)c1 ZINC000135687928 432134397 /nfs/dbraw/zinc/13/43/97/432134397.db2.gz AJFHJFYFIYGAKB-JTQLQIEISA-N 1 0 300.805 3.435 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 ZINC000022696434 182330901 /nfs/dbraw/zinc/33/09/01/182330901.db2.gz YCIHMHFWUAZNLA-SFHVURJKSA-N 1 0 314.404 3.177 10 0 DGAERO c1coc(-c2ncc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)s2)c1 ZINC000494951644 246214339 /nfs/dbraw/zinc/21/43/39/246214339.db2.gz NUJYBQFVZZYGIU-OCCSQVGLSA-N 1 0 304.415 3.404 10 0 DGAERO COc1ccc(CN(CC2CCCCC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000023247620 182354209 /nfs/dbraw/zinc/35/42/09/182354209.db2.gz VOTBAFQDUCGVJD-GOSISDBHSA-N 1 0 302.462 3.439 10 0 DGAERO Cc1[nH]nc(C(C)C)c1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000135754040 432136339 /nfs/dbraw/zinc/13/63/39/432136339.db2.gz PACIFBPXLSTXSX-UHFFFAOYSA-N 1 0 300.406 3.155 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000136191496 284496719 /nfs/dbraw/zinc/49/67/19/284496719.db2.gz BJZWLIPCEOUZQF-RISCZKNCSA-N 1 0 316.214 3.229 10 0 DGAERO Cn1ccnc1CC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000171502063 432137798 /nfs/dbraw/zinc/13/77/98/432137798.db2.gz ILJHMGZDLHHDQR-UHFFFAOYSA-N 1 0 305.372 3.153 10 0 DGAERO CC(C)C[C@@H](C)OCCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000150867855 284539209 /nfs/dbraw/zinc/53/92/09/284539209.db2.gz XDIBBCZEGJXRQH-QZTJIDSGSA-N 1 0 324.509 3.305 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(O)c(OC)c2)C12CCCC2 ZINC000181613833 432140345 /nfs/dbraw/zinc/14/03/45/432140345.db2.gz FRYXFJORMWFTEA-IRXDYDNUSA-N 1 0 305.418 3.228 10 0 DGAERO c1cc([C@H]2CCC[N@H+]2CCO[C@@H]2CCCCO2)cc2c1OCO2 ZINC000181680755 432141723 /nfs/dbraw/zinc/14/17/23/432141723.db2.gz PACMBHXVUCKSLX-CRAIPNDOSA-N 1 0 319.401 3.095 10 0 DGAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000181652052 432141873 /nfs/dbraw/zinc/14/18/73/432141873.db2.gz CCVSIFGHRGKOGI-CYBMUJFWSA-N 1 0 310.463 3.444 10 0 DGAERO CCC(=O)CCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000190307410 432141681 /nfs/dbraw/zinc/14/16/81/432141681.db2.gz IBDTXZBORYWHQT-HUUCEWRRSA-N 1 0 315.335 3.182 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(C(F)F)c2)C1 ZINC000246542659 432142696 /nfs/dbraw/zinc/14/26/96/432142696.db2.gz VNZSUOXVRMCFGO-SMDDNHRTSA-N 1 0 311.376 3.474 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)s1 ZINC000036932476 182853690 /nfs/dbraw/zinc/85/36/90/182853690.db2.gz MRLVIOSBMVLFOK-CYBMUJFWSA-N 1 0 302.447 3.166 10 0 DGAERO CC(C)[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000037282471 182878051 /nfs/dbraw/zinc/87/80/51/182878051.db2.gz DXRZTYBRNQPRRT-HNNXBMFYSA-N 1 0 309.841 3.170 10 0 DGAERO CC[NH+](CC)CCOc1c(N)cc(Cl)cc1Br ZINC000037288495 182878097 /nfs/dbraw/zinc/87/80/97/182878097.db2.gz SLJYYWLCDBWINW-UHFFFAOYSA-N 1 0 321.646 3.405 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc4ccccc4o3)[C@H]2C1 ZINC000246563460 432143990 /nfs/dbraw/zinc/14/39/90/432143990.db2.gz LSOBWHOXWRCJTE-UWWQBHOKSA-N 1 0 301.386 3.201 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2CCCCC(=O)OC(C)(C)C)cn1 ZINC000181751700 432143837 /nfs/dbraw/zinc/14/38/37/432143837.db2.gz LBPCVGAVVAHXEM-HNNXBMFYSA-N 1 0 307.438 3.069 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000171551993 432144052 /nfs/dbraw/zinc/14/40/52/432144052.db2.gz QLBJVJANAZSMGT-INIZCTEOSA-N 1 0 315.461 3.244 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000246564929 432144283 /nfs/dbraw/zinc/14/42/83/432144283.db2.gz XANCKMASBGJWHL-BLLLJJGKSA-N 1 0 300.406 3.018 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC23CCSCC3)CC1 ZINC000448821224 284582145 /nfs/dbraw/zinc/58/21/45/284582145.db2.gz GORAQWLPKZRGFZ-MRXNPFEDSA-N 1 0 324.534 3.100 10 0 DGAERO COC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000246600088 432147169 /nfs/dbraw/zinc/14/71/69/432147169.db2.gz ANZBUDHRKVKKNS-ZIAGYGMSSA-N 1 0 301.390 3.156 10 0 DGAERO O=C(c1ccc(Cl)cc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917227 182936768 /nfs/dbraw/zinc/93/67/68/182936768.db2.gz XKEWHJWOFJRPES-NHYWBVRUSA-N 1 0 310.800 3.083 10 0 DGAERO CCc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000040173955 183043512 /nfs/dbraw/zinc/04/35/12/183043512.db2.gz KFFBFJFFOUMENA-QGZVFWFLSA-N 1 0 307.397 3.239 10 0 DGAERO Cc1cc(C)cc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)c1 ZINC000040173921 183043674 /nfs/dbraw/zinc/04/36/74/183043674.db2.gz JERNCSFGAVDPEK-QGZVFWFLSA-N 1 0 307.397 3.293 10 0 DGAERO Clc1cccc2nc(C3CC3)n(CCC[NH+]3CCOCC3)c21 ZINC000040405953 183062375 /nfs/dbraw/zinc/06/23/75/183062375.db2.gz HSCWTYGRWUXQNJ-UHFFFAOYSA-N 1 0 319.836 3.289 10 0 DGAERO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000040463761 183071747 /nfs/dbraw/zinc/07/17/47/183071747.db2.gz VFXDLLTYSVLXPN-BXKDBHETSA-N 1 0 302.340 3.256 10 0 DGAERO COc1cc(C[NH2+]CC(C)(C)C)cc(Br)c1O ZINC000040492298 183080401 /nfs/dbraw/zinc/08/04/01/183080401.db2.gz WEPCEJDBBSTWJN-UHFFFAOYSA-N 1 0 302.212 3.299 10 0 DGAERO CCN(c1ccccc1)c1ncnc(Nc2cc[nH+]cc2)c1N ZINC000040679401 183116409 /nfs/dbraw/zinc/11/64/09/183116409.db2.gz VIRISSVLFBLNIQ-UHFFFAOYSA-N 1 0 306.373 3.355 10 0 DGAERO Cc1nc(Nc2ncnc(Nc3cc[nH+]cc3)c2N)sc1C ZINC000040687608 183117821 /nfs/dbraw/zinc/11/78/21/183117821.db2.gz DPVVRKMNTBJUIR-UHFFFAOYSA-N 1 0 313.390 3.014 10 0 DGAERO Cc1ccc(CNc2ncnc(Nc3cc[nH+]cc3)c2N)cc1 ZINC000040687615 183117945 /nfs/dbraw/zinc/11/79/45/183117945.db2.gz OJQZZRAQDKWBTB-UHFFFAOYSA-N 1 0 306.373 3.118 10 0 DGAERO C[C@H](NC(=O)C1([NH3+])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000040807551 183136774 /nfs/dbraw/zinc/13/67/74/183136774.db2.gz JDKINMJNVVBECZ-VIFPVBQESA-N 1 0 301.217 3.442 10 0 DGAERO CC(C)(C)NNc1[nH+]cnc(Nc2cccc3cccnc32)c1N ZINC000040758420 183129735 /nfs/dbraw/zinc/12/97/35/183129735.db2.gz HPYWHHWUGHIYRM-UHFFFAOYSA-N 1 0 323.404 3.066 10 0 DGAERO CCCO[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(Cl)s2)C1 ZINC000042421144 183267747 /nfs/dbraw/zinc/26/77/47/183267747.db2.gz XAXWEQOQLSCIPF-NEPJUHHUSA-N 1 0 302.871 3.292 10 0 DGAERO CC[N@@H+](Cc1ccc(Br)cc1)C[C@H](C)C(N)=S ZINC000042444613 183271415 /nfs/dbraw/zinc/27/14/15/183271415.db2.gz CFVJGMAUZILZKW-JTQLQIEISA-N 1 0 315.280 3.193 10 0 DGAERO Cc1c(C[NH2+]C2CC2)cnn1-c1ccccc1Br ZINC000042355875 183257473 /nfs/dbraw/zinc/25/74/73/183257473.db2.gz FUTGCVOLEIRFQP-UHFFFAOYSA-N 1 0 306.207 3.195 10 0 DGAERO CCOc1ccc(C(C)=O)cc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246638723 432150073 /nfs/dbraw/zinc/15/00/73/432150073.db2.gz IDRLHGRRYKCAII-KSSFIOAISA-N 1 0 318.461 3.202 10 0 DGAERO COc1ccc(C[NH2+]CCc2ccsc2)c(OC)c1OC ZINC000042374020 183260906 /nfs/dbraw/zinc/26/09/06/183260906.db2.gz YUICOUKQMBGHSG-UHFFFAOYSA-N 1 0 307.415 3.106 10 0 DGAERO CCN(CC[NH2+]C(C)C)Cc1ccc(Br)cc1F ZINC000042387165 183262569 /nfs/dbraw/zinc/26/25/69/183262569.db2.gz LSRXOXAYTWXUSS-UHFFFAOYSA-N 1 0 317.246 3.408 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000042539548 183282534 /nfs/dbraw/zinc/28/25/34/183282534.db2.gz VWEIGGPOXSKQHA-OAHLLOKOSA-N 1 0 320.452 3.484 10 0 DGAERO CC[NH+](CC)CCNC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000042845841 183313557 /nfs/dbraw/zinc/31/35/57/183313557.db2.gz RDQSYLBBMFHVAV-QGZVFWFLSA-N 1 0 315.417 3.010 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000136202158 432150373 /nfs/dbraw/zinc/15/03/73/432150373.db2.gz YQNRJWDRAFEBEQ-GOSISDBHSA-N 1 0 301.434 3.354 10 0 DGAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)n1cc(Br)cn1 ZINC000042947577 183320537 /nfs/dbraw/zinc/32/05/37/183320537.db2.gz AFTUSIVLRPMFML-PRHODGIISA-N 1 0 314.614 3.236 10 0 DGAERO CCOC(=O)CS[C@H](c1ccc(Cl)cc1)[C@H]([NH3+])CC ZINC000042951190 183321016 /nfs/dbraw/zinc/32/10/16/183321016.db2.gz HOINUTIOAXEMQS-TZMCWYRMSA-N 1 0 301.839 3.415 10 0 DGAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1cc(Cl)cn1 ZINC000042956047 183322787 /nfs/dbraw/zinc/32/27/87/183322787.db2.gz MOMVHEHLJHCGDM-PELKAZGASA-N 1 0 314.614 3.236 10 0 DGAERO [NH3+]C[C@@H](Sc1ncccn1)c1ccc(Br)cc1 ZINC000042959148 183323580 /nfs/dbraw/zinc/32/35/80/183323580.db2.gz AKWNPVUYVPXUSU-LLVKDONJSA-N 1 0 310.220 3.031 10 0 DGAERO CC[C@H]([NH3+])[C@H](OCCCOC)c1ccc(Br)cc1 ZINC000042958359 183323601 /nfs/dbraw/zinc/32/36/01/183323601.db2.gz WVDYELAQVUKHJH-UONOGXRCSA-N 1 0 316.239 3.281 10 0 DGAERO CCOC(=O)CS[C@@H](c1cccc(Cl)c1)[C@H]([NH3+])CC ZINC000043019562 183328608 /nfs/dbraw/zinc/32/86/08/183328608.db2.gz QREGFLALUNLJKX-OCCSQVGLSA-N 1 0 301.839 3.415 10 0 DGAERO CC[C@H]([NH3+])[C@H](SCCC(=O)OC)c1cccc(Cl)c1 ZINC000043019520 183328647 /nfs/dbraw/zinc/32/86/47/183328647.db2.gz MUOMXCFOUCPYLA-GXTWGEPZSA-N 1 0 301.839 3.415 10 0 DGAERO CC(C)c1nccn1[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043022133 183329493 /nfs/dbraw/zinc/32/94/93/183329493.db2.gz BIXHXYQBSILLDL-CYBMUJFWSA-N 1 0 308.223 3.317 10 0 DGAERO [NH3+]C[C@H](c1ccccc1Br)n1cnc2ccccc21 ZINC000043093713 183336619 /nfs/dbraw/zinc/33/66/19/183336619.db2.gz GLSDYHZQECCZRK-OAHLLOKOSA-N 1 0 316.202 3.347 10 0 DGAERO [NH3+]C[C@@H](OC[C@@H]1CCCCO1)c1ccccc1Br ZINC000043094739 183337261 /nfs/dbraw/zinc/33/72/61/183337261.db2.gz QHISBRAESQYYKC-SMDDNHRTSA-N 1 0 314.223 3.035 10 0 DGAERO CCCCOCCO[C@H](C[NH3+])c1ccccc1Br ZINC000043095031 183337562 /nfs/dbraw/zinc/33/75/62/183337562.db2.gz DUWGWKCIVXJKGZ-CQSZACIVSA-N 1 0 316.239 3.282 10 0 DGAERO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCCCC1 ZINC000043284496 183350809 /nfs/dbraw/zinc/35/08/09/183350809.db2.gz CONTWDQFPCDJSD-JOYOIKCWSA-N 1 0 303.269 3.385 10 0 DGAERO CCOC(=O)CS[C@H](c1ccccc1Cl)[C@H]([NH3+])CC ZINC000043089943 183335454 /nfs/dbraw/zinc/33/54/54/183335454.db2.gz OEYFRRSSBYEUKR-TZMCWYRMSA-N 1 0 301.839 3.415 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1Cc1sccc1Br ZINC000043675806 183379298 /nfs/dbraw/zinc/37/92/98/183379298.db2.gz RKRLUSZVTLWYJZ-SNVBAGLBSA-N 1 0 303.269 3.085 10 0 DGAERO CC(C)N(CCC(N)=[NH2+])Cc1cc(Br)cs1 ZINC000043687520 183381123 /nfs/dbraw/zinc/38/11/23/183381123.db2.gz LGUALUVXVAPVOK-UHFFFAOYSA-N 1 0 304.257 3.047 10 0 DGAERO CCCOc1cccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)c1 ZINC000044204383 183398874 /nfs/dbraw/zinc/39/88/74/183398874.db2.gz QEGHTACZSGAZOL-CQSZACIVSA-N 1 0 307.438 3.327 10 0 DGAERO CC(C)c1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n[nH]1 ZINC000045085932 183480261 /nfs/dbraw/zinc/48/02/61/183480261.db2.gz KZZWBNUZZHEYQR-UHFFFAOYSA-N 1 0 312.417 3.381 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCCNc2ccccn2)ccc1F ZINC000154158922 284715315 /nfs/dbraw/zinc/71/53/15/284715315.db2.gz BDODOHSHOOWQPL-CYBMUJFWSA-N 1 0 303.381 3.382 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000104411567 194006856 /nfs/dbraw/zinc/00/68/56/194006856.db2.gz RBGMZIRSVFXAHA-KRWDZBQOSA-N 1 0 313.445 3.009 10 0 DGAERO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000104711024 194029473 /nfs/dbraw/zinc/02/94/73/194029473.db2.gz MJFDBPCDJSTRCX-HNNXBMFYSA-N 1 0 318.461 3.007 10 0 DGAERO Cc1cc2cc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)ccc2[nH]1 ZINC000105038661 194067080 /nfs/dbraw/zinc/06/70/80/194067080.db2.gz MPKRNGKXAVPYCF-MRXNPFEDSA-N 1 0 312.417 3.178 10 0 DGAERO O=C(Nc1cccc(C(F)F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105030891 194065181 /nfs/dbraw/zinc/06/51/81/194065181.db2.gz YTBBQUUAWAHEPJ-AWEZNQCLSA-N 1 0 309.360 3.326 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000105355528 194100083 /nfs/dbraw/zinc/10/00/83/194100083.db2.gz RSIUVNHQPPUXMO-UHFFFAOYSA-N 1 0 314.433 3.411 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(F)c(F)c1 ZINC000105802366 194131575 /nfs/dbraw/zinc/13/15/75/194131575.db2.gz NTDVCWHWOBYTFE-OCCSQVGLSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)c(F)c1 ZINC000105802361 194132632 /nfs/dbraw/zinc/13/26/32/194132632.db2.gz NTDVCWHWOBYTFE-TZMCWYRMSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1Cl ZINC000105872241 194151354 /nfs/dbraw/zinc/15/13/54/194151354.db2.gz CSSAHICVKOQVGC-GXSJLCMTSA-N 1 0 311.216 3.251 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000105884794 194157111 /nfs/dbraw/zinc/15/71/11/194157111.db2.gz LEZWUHRSFOWCLK-HNNXBMFYSA-N 1 0 318.852 3.461 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ccc([C@H]3C[C@@H]3C)o1)CC2 ZINC000105908040 194166260 /nfs/dbraw/zinc/16/62/60/194166260.db2.gz DFRJSYZJSUCBKB-GUTXKFCHSA-N 1 0 314.433 3.223 10 0 DGAERO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000106079287 194183647 /nfs/dbraw/zinc/18/36/47/194183647.db2.gz ZJNPRAZUWLJGOY-SFHVURJKSA-N 1 0 310.445 3.194 10 0 DGAERO C[N@H+](CCCc1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106076933 194184267 /nfs/dbraw/zinc/18/42/67/194184267.db2.gz XCQFBPJBPCPECV-SFHVURJKSA-N 1 0 310.445 3.010 10 0 DGAERO CN(c1cccnn1)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000106083632 194185554 /nfs/dbraw/zinc/18/55/54/194185554.db2.gz DDNUJJSWIKPVSD-LJQANCHMSA-N 1 0 322.456 3.455 10 0 DGAERO Cc1ccc2oc(N3CC[NH+](CCOC(C)(C)C)CC3)nc2c1 ZINC000106094793 194186376 /nfs/dbraw/zinc/18/63/76/194186376.db2.gz WPOORKITJWXTQR-UHFFFAOYSA-N 1 0 317.433 3.073 10 0 DGAERO FC(F)Oc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000106182359 194189374 /nfs/dbraw/zinc/18/93/74/194189374.db2.gz QBZVPWGMMMGECL-UHFFFAOYSA-N 1 0 321.371 3.397 10 0 DGAERO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106189237 194189926 /nfs/dbraw/zinc/18/99/26/194189926.db2.gz UNGAOSBATNXGBX-JXFKEZNVSA-N 1 0 321.424 3.498 10 0 DGAERO CCc1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000106431909 194213012 /nfs/dbraw/zinc/21/30/12/194213012.db2.gz UAUJRIWKHBXZKF-KRWDZBQOSA-N 1 0 316.470 3.100 10 0 DGAERO Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c(C)c1 ZINC000106457161 194216707 /nfs/dbraw/zinc/21/67/07/194216707.db2.gz RPSDHGVIJJZAHQ-IBGZPJMESA-N 1 0 310.441 3.093 10 0 DGAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(F)cc1Br ZINC000235506487 284786886 /nfs/dbraw/zinc/78/68/86/284786886.db2.gz FHBOWUVGDQUZKA-SILCLGDVSA-N 1 0 302.187 3.010 10 0 DGAERO Cc1ccc(F)c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107522836 194255907 /nfs/dbraw/zinc/25/59/07/194255907.db2.gz VTZPKHGRUAZDTB-OAHLLOKOSA-N 1 0 304.409 3.225 10 0 DGAERO CCN(c1ccc(C(=O)NC[C@@H](C)[NH+](CC)CC)cc1)C(C)C ZINC000109840043 194290831 /nfs/dbraw/zinc/29/08/31/194290831.db2.gz FFBJXOSJSWWHMN-MRXNPFEDSA-N 1 0 319.493 3.381 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)CC3 ZINC000245881977 284850657 /nfs/dbraw/zinc/85/06/57/284850657.db2.gz BEIBEWHEVJLBJC-STXHMFSFSA-N 1 0 312.457 3.474 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000245927331 284855799 /nfs/dbraw/zinc/85/57/99/284855799.db2.gz ZHEUXNWFHSIDFA-JYJNAYRXSA-N 1 0 302.466 3.298 10 0 DGAERO Cc1ccc(CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000057031651 184025370 /nfs/dbraw/zinc/02/53/70/184025370.db2.gz SJMLUVBIKLIPPS-INIZCTEOSA-N 1 0 302.443 3.018 10 0 DGAERO COc1ccc([C@H](C[NH3+])Nc2ccccc2Cl)c(OC)c1 ZINC000057637741 184043665 /nfs/dbraw/zinc/04/36/65/184043665.db2.gz SIKULYLHFOGPJM-HNNXBMFYSA-N 1 0 306.793 3.469 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000057751594 184051423 /nfs/dbraw/zinc/05/14/23/184051423.db2.gz JPJVPHNQYAAKAV-AGIUHOORSA-N 1 0 323.403 3.137 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(O)c(Br)c1)c1ccncc1 ZINC000057987321 184064630 /nfs/dbraw/zinc/06/46/30/184064630.db2.gz WALKJFKZZNEWEA-JTQLQIEISA-N 1 0 307.191 3.401 10 0 DGAERO C[NH2+][C@H](Cc1cc(Br)cs1)Cc1ccncc1 ZINC000060709265 184154444 /nfs/dbraw/zinc/15/44/44/184154444.db2.gz CPOVWNOZAXSRHH-LBPRGKRZSA-N 1 0 311.248 3.279 10 0 DGAERO O=C(N1CCC[N@@H+](C2CC2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000061604858 184177193 /nfs/dbraw/zinc/17/71/93/184177193.db2.gz LLCODCPXRHMJJA-UHFFFAOYSA-N 1 0 318.848 3.068 10 0 DGAERO C[NH2+]CCc1nc(-c2ccc(F)c(Br)c2)cs1 ZINC000061689340 184182917 /nfs/dbraw/zinc/18/29/17/184182917.db2.gz CDRNFDAKTUVNJK-UHFFFAOYSA-N 1 0 315.211 3.474 10 0 DGAERO Fc1ccc(-c2c[nH]c(C[C@@H]3CCC[NH2+]3)n2)cc1Br ZINC000061689868 184183077 /nfs/dbraw/zinc/18/30/77/184183077.db2.gz MUEHDHNXIDLCEY-JTQLQIEISA-N 1 0 324.197 3.273 10 0 DGAERO CCC[NH2+][C@H](C)c1ccc(-n2cncn2)c(Br)c1 ZINC000061698296 184183988 /nfs/dbraw/zinc/18/39/88/184183988.db2.gz SQNJEYTWTCMPNA-SNVBAGLBSA-N 1 0 309.211 3.090 10 0 DGAERO CC(C)C[NH2+]Cc1ccc(Br)cc1-n1ccnc1 ZINC000062738542 184251810 /nfs/dbraw/zinc/25/18/10/184251810.db2.gz MZWCQBUNRFNIOI-UHFFFAOYSA-N 1 0 308.223 3.380 10 0 DGAERO CC[C@]1(C(=O)Nc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000062852472 184256569 /nfs/dbraw/zinc/25/65/69/184256569.db2.gz XLRSNMLOBPLUQZ-AWEZNQCLSA-N 1 0 311.223 3.167 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000112549862 194484976 /nfs/dbraw/zinc/48/49/76/194484976.db2.gz MJDCVXOFTJUWPD-CZUORRHYSA-N 1 0 316.836 3.450 10 0 DGAERO CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000066187235 184395743 /nfs/dbraw/zinc/39/57/43/184395743.db2.gz IJWSFWPQNFSSKQ-UONOGXRCSA-N 1 0 307.463 3.079 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2cccc(F)c2)n1 ZINC000113271563 194577339 /nfs/dbraw/zinc/57/73/39/194577339.db2.gz KXAVOVSDSUVYLG-CXAGYDPISA-N 1 0 315.392 3.149 10 0 DGAERO C[C@H](C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)CS(C)(=O)=O ZINC000248543596 285004431 /nfs/dbraw/zinc/00/44/31/285004431.db2.gz DBSVJSIXGGAZRM-NJAFHUGGSA-N 1 0 323.502 3.058 10 0 DGAERO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248581875 285007935 /nfs/dbraw/zinc/00/79/35/285007935.db2.gz OXEQZKJRFVKUSC-SJLPKXTDSA-N 1 0 302.462 3.103 10 0 DGAERO CSc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000121086592 252631691 /nfs/dbraw/zinc/63/16/91/252631691.db2.gz NDRZIERJBNWEAI-UHFFFAOYSA-N 1 0 304.459 3.109 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000248603901 285009891 /nfs/dbraw/zinc/00/98/91/285009891.db2.gz JNIZKXVLFWZMJY-VIQHNZTISA-N 1 0 309.498 3.183 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000173394536 252656399 /nfs/dbraw/zinc/65/63/99/252656399.db2.gz SLOGMQISDUSNLR-GJZGRUSLSA-N 1 0 308.441 3.241 10 0 DGAERO COC[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000248655064 285015133 /nfs/dbraw/zinc/01/51/33/285015133.db2.gz AYGUGMMIHIMCRB-XYPHTWIQSA-N 1 0 310.869 3.346 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000248657490 285015184 /nfs/dbraw/zinc/01/51/84/285015184.db2.gz SLYTVEDACBXZEJ-OLMNPRSZSA-N 1 0 309.425 3.386 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)Cc1c[nH]c2c1cccc2CC ZINC000174662713 252677914 /nfs/dbraw/zinc/67/79/14/252677914.db2.gz FVGSBGQPHZCENA-UHFFFAOYSA-N 1 0 315.461 3.121 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+]C[C@@H]3CC=CCC3)C2)c1 ZINC000246358540 207666749 /nfs/dbraw/zinc/66/67/49/207666749.db2.gz PUOSASQAFBGIHZ-IAGOWNOFSA-N 1 0 300.446 3.467 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000118816303 194928441 /nfs/dbraw/zinc/92/84/41/194928441.db2.gz NBYSEIJGHMURMY-CABCVRRESA-N 1 0 319.449 3.200 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1ccnn1C ZINC000248754017 285023454 /nfs/dbraw/zinc/02/34/54/285023454.db2.gz CLWZZHIVMDQZCV-NUTKFTJISA-N 1 0 318.852 3.170 10 0 DGAERO CC1(C)C[N@H+](CCO[C@H]2CCCCO2)CC[C@H]1C(F)(F)F ZINC000248753378 285023629 /nfs/dbraw/zinc/02/36/29/285023629.db2.gz HMXUBTOBZONHKL-OLZOCXBDSA-N 1 0 309.372 3.440 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)cnn1C(C)(C)C ZINC000248748131 285023010 /nfs/dbraw/zinc/02/30/10/285023010.db2.gz ZNRWLYANQIIRNQ-JKIFEVAISA-N 1 0 306.498 3.326 10 0 DGAERO CCC1(CC)[C@H]([NH2+]Cc2nc(-c3ccoc3)no2)[C@H](C)[C@H]1OC ZINC000248842491 285030047 /nfs/dbraw/zinc/03/00/47/285030047.db2.gz QGHAJHWLQBNRRN-NILFDRSVSA-N 1 0 319.405 3.259 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)C(C)(C)C[NH+](C)C ZINC000119621837 195004032 /nfs/dbraw/zinc/00/40/32/195004032.db2.gz CUIXOTPNUHQBDM-UONOGXRCSA-N 1 0 307.438 3.102 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2cc(F)ccc12 ZINC000248848120 285031334 /nfs/dbraw/zinc/03/13/34/285031334.db2.gz IOPCNYSOAWIGCF-KGLIPLIRSA-N 1 0 315.392 3.006 10 0 DGAERO CCCCOCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000119617021 195002885 /nfs/dbraw/zinc/00/28/85/195002885.db2.gz BZSXVHQMCPQUKV-ZDUSSCGKSA-N 1 0 308.422 3.121 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000119694985 195019274 /nfs/dbraw/zinc/01/92/74/195019274.db2.gz OMQHMIQJADYOJH-XJKSGUPXSA-N 1 0 315.392 3.159 10 0 DGAERO COC[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000119698591 195020636 /nfs/dbraw/zinc/02/06/36/195020636.db2.gz KHYAUSIJHWSIII-RTBURBONSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CCCO1 ZINC000119663496 195012784 /nfs/dbraw/zinc/01/27/84/195012784.db2.gz OZDHQHYVFYCVMU-CYBMUJFWSA-N 1 0 302.187 3.247 10 0 DGAERO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000119670774 195015142 /nfs/dbraw/zinc/01/51/42/195015142.db2.gz YNCYMZWUBVHVOE-JKSUJKDBSA-N 1 0 318.486 3.247 10 0 DGAERO CCC[C@@H](C(=O)NCc1oc2ccc(F)cc2c1C)[NH+](C)C ZINC000119794187 195037559 /nfs/dbraw/zinc/03/75/59/195037559.db2.gz XSAZQNBDUPNXPK-AWEZNQCLSA-N 1 0 306.381 3.227 10 0 DGAERO CC1(C)C[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)C(C)(C)O1 ZINC000120015316 195080183 /nfs/dbraw/zinc/08/01/83/195080183.db2.gz VAYPAECIALMRCK-JSGCOSHPSA-N 1 0 323.868 3.249 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H](C)CC2)[C@@H](C)C1 ZINC000249105756 285056296 /nfs/dbraw/zinc/05/62/96/285056296.db2.gz QNBSNSMJRCLNQN-TWMKSMIVSA-N 1 0 309.498 3.327 10 0 DGAERO CN(C(=O)Nc1nc(C(C)(C)C)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000333145914 252937752 /nfs/dbraw/zinc/93/77/52/252937752.db2.gz LVFJHJLPKPBNCO-LLVKDONJSA-N 1 0 310.467 3.046 10 0 DGAERO COC[C@H](C)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249250093 285064452 /nfs/dbraw/zinc/06/44/52/285064452.db2.gz BWKXTYPIHNPDON-LYRGGWFBSA-N 1 0 314.832 3.096 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1C ZINC000249232749 285064618 /nfs/dbraw/zinc/06/46/18/285064618.db2.gz VSGKVQVEAZRDKR-QMTHXVAHSA-N 1 0 303.324 3.284 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3)CCCC4)C[C@H]21 ZINC000333280924 252946320 /nfs/dbraw/zinc/94/63/20/252946320.db2.gz HORRPXLOVJQJMF-CGTJXYLNSA-N 1 0 313.445 3.157 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000249282179 285066491 /nfs/dbraw/zinc/06/64/91/285066491.db2.gz GVRLUIGLQJCNOA-OKZBNKHCSA-N 1 0 300.446 3.232 10 0 DGAERO COc1cc(Br)c(C[NH2+][C@@H]2CC[C@H]2C)cc1OC ZINC000336787624 253000951 /nfs/dbraw/zinc/00/09/51/253000951.db2.gz FGNDMBRKNGISKU-BXKDBHETSA-N 1 0 314.223 3.354 10 0 DGAERO COCC1(C[NH2+]Cc2ccc(Br)c(F)c2)CCC1 ZINC000336797045 253001771 /nfs/dbraw/zinc/00/17/71/253001771.db2.gz YDQZIPQDELQPHZ-UHFFFAOYSA-N 1 0 316.214 3.495 10 0 DGAERO CCCn1cc(C[NH2+]C(C)(C)COCc2ccccc2)cn1 ZINC000337266867 253074308 /nfs/dbraw/zinc/07/43/08/253074308.db2.gz VVTYRJVJTSTSJT-UHFFFAOYSA-N 1 0 301.434 3.378 10 0 DGAERO c1cc2c(s1)CC[N@@H+](CCOCCOc1ccccc1)C2 ZINC000337475263 253123392 /nfs/dbraw/zinc/12/33/92/253123392.db2.gz RSTWVWVDCUESDG-UHFFFAOYSA-N 1 0 303.427 3.202 10 0 DGAERO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1OCC ZINC000251792275 285098249 /nfs/dbraw/zinc/09/82/49/285098249.db2.gz LYAXMHSDMJVAFO-KDOFPFPSSA-N 1 0 307.434 3.341 10 0 DGAERO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ncn1 ZINC000337784024 253174851 /nfs/dbraw/zinc/17/48/51/253174851.db2.gz ACXDTQPVSQQZKB-QGZVFWFLSA-N 1 0 310.445 3.498 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](O)C1CCOCC1 ZINC000338202079 253241649 /nfs/dbraw/zinc/24/16/49/253241649.db2.gz YVWCZJXFWKQXGJ-QFSNBGPKSA-N 1 0 309.837 3.120 10 0 DGAERO CS[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000252785037 285105562 /nfs/dbraw/zinc/10/55/62/285105562.db2.gz UNRXNKRFVZEUQT-RDBSUJKOSA-N 1 0 316.511 3.363 10 0 DGAERO c1ccc(C[N@H+]2CCC[C@@H]2CNc2ccnc3cccnc32)cc1 ZINC000338667882 253329972 /nfs/dbraw/zinc/32/99/72/253329972.db2.gz DBQDPKJMFJSGFF-QGZVFWFLSA-N 1 0 318.424 3.128 10 0 DGAERO C[C@@H](CNC(=O)C/C=C\c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000255025591 285121318 /nfs/dbraw/zinc/12/13/18/285121318.db2.gz SRWSWVWSOBJMKH-QGZUEGPWSA-N 1 0 318.436 3.466 10 0 DGAERO c1ccc(-n2nc(C[NH2+][C@@H]3CCCSC3)c3c2CCC3)cc1 ZINC000272893805 210282714 /nfs/dbraw/zinc/28/27/14/210282714.db2.gz TVNMDGBJPPRLAL-CQSZACIVSA-N 1 0 313.470 3.346 10 0 DGAERO COC[C@H]([NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)C1CCOCC1 ZINC000188743108 533099962 /nfs/dbraw/zinc/09/99/62/533099962.db2.gz JFEUZZQZYILQSF-HOJAQTOUSA-N 1 0 317.473 3.429 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2c(F)cccc2F)[C@H](C)C1 ZINC000158416649 197270059 /nfs/dbraw/zinc/27/00/59/197270059.db2.gz MFIVDYJPQUJGEK-WWGRRREGSA-N 1 0 324.415 3.257 10 0 DGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)C1CCCC1 ZINC000172231553 533109926 /nfs/dbraw/zinc/10/99/26/533109926.db2.gz LOTDTIVHFAVCIK-MRXNPFEDSA-N 1 0 317.477 3.339 10 0 DGAERO c1cn2c(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)c(C3CC3)nc2s1 ZINC000342914295 254073691 /nfs/dbraw/zinc/07/36/91/254073691.db2.gz OPSWVHKNRAFWCV-KGLIPLIRSA-N 1 0 317.458 3.274 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342818767 254058588 /nfs/dbraw/zinc/05/85/88/254058588.db2.gz SGOOWQYORBPPAZ-JKSUJKDBSA-N 1 0 315.442 3.349 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342818766 254059273 /nfs/dbraw/zinc/05/92/73/254059273.db2.gz SGOOWQYORBPPAZ-HZPDHXFCSA-N 1 0 315.442 3.349 10 0 DGAERO Cc1ccc(/C=C\CC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000255770216 285179374 /nfs/dbraw/zinc/17/93/74/285179374.db2.gz KEOIEBGJAGSOEW-GPCFVJJQSA-N 1 0 300.446 3.246 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H]1SC ZINC000344949818 254318658 /nfs/dbraw/zinc/31/86/58/254318658.db2.gz AIILXACFHZXHLY-WCQYABFASA-N 1 0 316.264 3.441 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000344957053 254319450 /nfs/dbraw/zinc/31/94/50/254319450.db2.gz NWSIMMAQIFPLNE-UHFFFAOYSA-N 1 0 305.381 3.397 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@@H]2CC[C@H]2SC)c1 ZINC000344964295 254319854 /nfs/dbraw/zinc/31/98/54/254319854.db2.gz ZRVANZKHHKUDCN-CHWSQXEVSA-N 1 0 316.264 3.441 10 0 DGAERO CCC[N@H+](CC)CCN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000156811830 197142269 /nfs/dbraw/zinc/14/22/69/197142269.db2.gz QJQXAHDXTQEAFV-AWEZNQCLSA-N 1 0 321.465 3.036 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(-c2nccs2)cc1)[NH+](C)C ZINC000156825564 197143127 /nfs/dbraw/zinc/14/31/27/197143127.db2.gz MJLSWZOLMNDTQV-AWEZNQCLSA-N 1 0 303.431 3.479 10 0 DGAERO Cc1ccccc1C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262542083 285195564 /nfs/dbraw/zinc/19/55/64/285195564.db2.gz SLHROXUWIUDUIJ-JQHSSLGASA-N 1 0 312.457 3.064 10 0 DGAERO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000155971397 197078401 /nfs/dbraw/zinc/07/84/01/197078401.db2.gz ZUMVDGBMPUHBJI-KGLIPLIRSA-N 1 0 317.385 3.379 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCCc1c[nH]c2ccccc12 ZINC000155607311 197071064 /nfs/dbraw/zinc/07/10/64/197071064.db2.gz RDWBUUXPRRUHDQ-GASCZTMLSA-N 1 0 313.445 3.042 10 0 DGAERO C[N@H+](Cc1nnc(-c2ccccc2)s1)C1CCC(CO)CC1 ZINC000155602365 197070856 /nfs/dbraw/zinc/07/08/56/197070856.db2.gz SYDJZGSOMMFUNY-UHFFFAOYSA-N 1 0 317.458 3.188 10 0 DGAERO COc1c(CN(Cc2ccc(F)cc2)C2CC2)c(C)nn1C ZINC000155234007 197035096 /nfs/dbraw/zinc/03/50/96/197035096.db2.gz DUAMMQNSBVEHTP-UHFFFAOYSA-N 1 0 303.381 3.041 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C/C=C/c3ccc(F)cc3)CC[C@@H]21 ZINC000155117207 197023301 /nfs/dbraw/zinc/02/33/01/197023301.db2.gz GYLYDUCEAJEJLC-DHSOXLPSSA-N 1 0 316.420 3.172 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@H](OC)C(C)(C)C)cc1NC(C)=O ZINC000154969845 197009261 /nfs/dbraw/zinc/00/92/61/197009261.db2.gz ACKOUJGMGCZAKU-PXAZEXFGSA-N 1 0 322.449 3.365 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1Br ZINC000294698802 224176864 /nfs/dbraw/zinc/17/68/64/224176864.db2.gz AROLFSHQJUZMND-OUJBWJOFSA-N 1 0 314.223 3.113 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)ccc2F)[C@H](C)C1 ZINC000120385676 195155256 /nfs/dbraw/zinc/15/52/56/195155256.db2.gz RAQBXJLJGISNCB-IAQYHMDHSA-N 1 0 311.376 3.159 10 0 DGAERO C[N@H+](CCCC1CCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120393140 195156970 /nfs/dbraw/zinc/15/69/70/195156970.db2.gz IHFBZHOQKCHAOV-KRWDZBQOSA-N 1 0 302.466 3.348 10 0 DGAERO C[N@H+](CCCC1CCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120392974 195157286 /nfs/dbraw/zinc/15/72/86/195157286.db2.gz IHFBZHOQKCHAOV-QGZVFWFLSA-N 1 0 302.466 3.348 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000120739004 195228240 /nfs/dbraw/zinc/22/82/40/195228240.db2.gz DVSPITVCMAZLOB-OLZOCXBDSA-N 1 0 303.454 3.096 10 0 DGAERO c1ccc(CN2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)nc1 ZINC000120686768 195216963 /nfs/dbraw/zinc/21/69/63/195216963.db2.gz ZRKCQXSWMRWCOQ-FQEVSTJZSA-N 1 0 321.468 3.193 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCCc1cccs1 ZINC000120776235 195236306 /nfs/dbraw/zinc/23/63/06/195236306.db2.gz LVMABTOFHSIYDW-GJZGRUSLSA-N 1 0 316.470 3.455 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]1)NCc1ccccc1OCc1ccccc1 ZINC000152247564 196794371 /nfs/dbraw/zinc/79/43/71/196794371.db2.gz UIHDPJNQTJVUEY-SFHVURJKSA-N 1 0 324.424 3.024 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(F)c2C)[C@H](C)C1 ZINC000120906340 195262328 /nfs/dbraw/zinc/26/23/28/195262328.db2.gz UYJGVKPGMGNZHN-WBMJQRKESA-N 1 0 307.413 3.328 10 0 DGAERO c1csc([C@@H]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3O2)n1 ZINC000248134498 257107829 /nfs/dbraw/zinc/10/78/29/257107829.db2.gz YQRQIYQQSMDRJZ-PMPSAXMXSA-N 1 0 300.427 3.495 10 0 DGAERO Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@H](c4nc(C)no4)CC[C@@H]32)s1 ZINC000248010874 257112164 /nfs/dbraw/zinc/11/21/64/257112164.db2.gz IZUWLZNLHGCSPZ-KKUMJFAQSA-N 1 0 319.430 3.243 10 0 DGAERO c1ccc(C[N@H+]2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@H]32)cc1 ZINC000247818889 257116938 /nfs/dbraw/zinc/11/69/38/257116938.db2.gz HHBZSQHXEYLFTR-AQNXPRMDSA-N 1 0 324.424 3.030 10 0 DGAERO CCC(C)(CC)NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000121045725 195287431 /nfs/dbraw/zinc/28/74/31/195287431.db2.gz ORKGCBIXZWKSCE-UHFFFAOYSA-N 1 0 321.465 3.005 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000121544532 195305535 /nfs/dbraw/zinc/30/55/35/195305535.db2.gz AOTTXWKDCIEBCG-KBPBESRZSA-N 1 0 318.442 3.054 10 0 DGAERO CCc1oc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000121776953 195346285 /nfs/dbraw/zinc/34/62/85/195346285.db2.gz DXGRRXQSQRHCBU-UHFFFAOYSA-N 1 0 304.434 3.098 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000122647042 195481160 /nfs/dbraw/zinc/48/11/60/195481160.db2.gz XWDQMTZOJDPWNA-CZUORRHYSA-N 1 0 308.853 3.071 10 0 DGAERO Cc1cc(C)c2c(c1)CN(C(=O)CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000356551069 285381920 /nfs/dbraw/zinc/38/19/20/285381920.db2.gz IIXDBYLJJADKGY-GOSISDBHSA-N 1 0 314.473 3.453 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000311139005 533281359 /nfs/dbraw/zinc/28/13/59/533281359.db2.gz YIDKCCDMHNUJAB-FZMZJTMJSA-N 1 0 316.239 3.151 10 0 DGAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000312529282 533288632 /nfs/dbraw/zinc/28/86/32/533288632.db2.gz PMFXPKHRTZNRTB-QWRGUYRKSA-N 1 0 311.834 3.136 10 0 DGAERO COc1ccc2cc([C@@H](C)[NH2+]CCCn3ccnn3)ccc2c1 ZINC000183147305 533335733 /nfs/dbraw/zinc/33/57/33/533335733.db2.gz VQBKTBLIIORXGJ-CQSZACIVSA-N 1 0 310.401 3.181 10 0 DGAERO C[C@@H]([NH2+]CCCn1ccnn1)c1cc(Cl)sc1Cl ZINC000184267285 533392013 /nfs/dbraw/zinc/39/20/13/533392013.db2.gz PPWSNAMSBSYYPO-MRVPVSSYSA-N 1 0 305.234 3.387 10 0 DGAERO COC[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)C1CCOCC1 ZINC000188151960 285414070 /nfs/dbraw/zinc/41/40/70/285414070.db2.gz XBTNWLRPPOMXQM-IRXDYDNUSA-N 1 0 319.445 3.320 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000149374845 288893327 /nfs/dbraw/zinc/89/33/27/288893327.db2.gz PVYFHFRZIFMQLN-VQISRLSMSA-N 1 0 310.235 3.073 10 0 DGAERO COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000086595741 545801593 /nfs/dbraw/zinc/80/15/93/545801593.db2.gz ILZIBFYRQLAMHN-HOCLYGCPSA-N 1 0 308.853 3.313 10 0 DGAERO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCOC3(CCCC3)C1)CO2 ZINC000494593610 285509217 /nfs/dbraw/zinc/50/92/17/285509217.db2.gz YKOUPZMAUFWXRC-SJORKVTESA-N 1 0 301.430 3.462 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000164382285 132160288 /nfs/dbraw/zinc/16/02/88/132160288.db2.gz WLYZITCDWYYVKZ-RKDXNWHRSA-N 1 0 301.217 3.026 10 0 DGAERO c1nc2ccccn2c1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000357344432 285725336 /nfs/dbraw/zinc/72/53/36/285725336.db2.gz MIDNMZANCQLNAF-LPHOPBHVSA-N 1 0 307.397 3.202 10 0 DGAERO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000262013204 292080964 /nfs/dbraw/zinc/08/09/64/292080964.db2.gz VTBDDYUVWYEMDA-QRVBRYPASA-N 1 0 316.489 3.019 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@H](c2ccccc2)C2CC2)CCOCC1 ZINC000453229655 292136067 /nfs/dbraw/zinc/13/60/67/292136067.db2.gz DYCUUADAWUCBCR-CRAIPNDOSA-N 1 0 303.446 3.354 10 0 DGAERO O=C(Nc1ccc(CC2(F)C[NH2+]C2)cc1)c1ccc(Cl)cc1 ZINC000584591988 400086193 /nfs/dbraw/zinc/08/61/93/400086193.db2.gz HXADHNMAFKQCSW-UHFFFAOYSA-N 1 0 318.779 3.446 10 0 DGAERO [NH2+]=C(Nc1cccc(F)c1I)C1CC1 ZINC000300891989 400100343 /nfs/dbraw/zinc/10/03/43/400100343.db2.gz FXJGTLGCYDWCNA-UHFFFAOYSA-N 1 0 304.106 3.229 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000600447964 400080078 /nfs/dbraw/zinc/08/00/78/400080078.db2.gz DMIPWUCIXYROHG-ZDUSSCGKSA-N 1 0 319.836 3.426 10 0 DGAERO CCOC(=O)c1cccc([C@@H]2COCCC[N@@H+]2C(C)(C)C)c1 ZINC000616598428 400181798 /nfs/dbraw/zinc/18/17/98/400181798.db2.gz ZIKCWXDYJBEXRE-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO CCOC(=O)c1ccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000616632879 400189442 /nfs/dbraw/zinc/18/94/42/400189442.db2.gz YGCIWACSTWAFQC-IBGZPJMESA-N 1 0 324.424 3.010 10 0 DGAERO CCn1c(C[N@H+](CCOC)CC(C)C)nc2cc(F)ccc21 ZINC000066829276 400123143 /nfs/dbraw/zinc/12/31/43/400123143.db2.gz GQHMATUCCYBBMD-UHFFFAOYSA-N 1 0 307.413 3.300 10 0 DGAERO CC[C@@](C)([NH3+])c1ncc(Br)cc1Br ZINC000306164135 400124073 /nfs/dbraw/zinc/12/40/73/400124073.db2.gz KWUVEWCBNZILGK-SECBINFHSA-N 1 0 308.017 3.191 10 0 DGAERO C[C@@H]1C[NH2+][C@@H](c2ccc(I)cc2)S1 ZINC000306823468 400127525 /nfs/dbraw/zinc/12/75/25/400127525.db2.gz SXFBRSRYNMDLCJ-GMSGAONNSA-N 1 0 305.184 3.015 10 0 DGAERO Cc1nc([C@]2(N)CC[N@@H+](Cc3ccccc3)[C@H]2C)sc1C ZINC000306843298 400127563 /nfs/dbraw/zinc/12/75/63/400127563.db2.gz GEMBUVACVOYISG-YOEHRIQHSA-N 1 0 301.459 3.208 10 0 DGAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCC[N@H+](CCO)C2)c1 ZINC000616621237 400186019 /nfs/dbraw/zinc/18/60/19/400186019.db2.gz QINSGKOYRMFADT-OAHLLOKOSA-N 1 0 320.433 3.205 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000600717857 400135811 /nfs/dbraw/zinc/13/58/11/400135811.db2.gz COEMJDWXCYTXGP-LJQANCHMSA-N 1 0 314.473 3.330 10 0 DGAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCCN(CC[NH3+])C2)c1 ZINC000616619935 400186557 /nfs/dbraw/zinc/18/65/57/400186557.db2.gz CQQSHMQRWGLJKO-OAHLLOKOSA-N 1 0 319.449 3.172 10 0 DGAERO Cc1ccnc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000616760959 400222386 /nfs/dbraw/zinc/22/23/86/400222386.db2.gz RNKYEWLATJNEFS-HNNXBMFYSA-N 1 0 304.434 3.334 10 0 DGAERO CCN(Cc1cccs1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690007 400223358 /nfs/dbraw/zinc/22/33/58/400223358.db2.gz UYSHTEJFTXORNI-KRWDZBQOSA-N 1 0 318.486 3.063 10 0 DGAERO C[NH+](C)CC(C)(C)CNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000588921763 400243846 /nfs/dbraw/zinc/24/38/46/400243846.db2.gz YKUZVKPHZNGRIL-UHFFFAOYSA-N 1 0 307.825 3.139 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2cnc3ccccc3c2)cc1 ZINC000616636768 400189898 /nfs/dbraw/zinc/18/98/98/400189898.db2.gz YOCFGMNJAAWJLU-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCC[N@@H+]1CCO ZINC000616633545 400190095 /nfs/dbraw/zinc/19/00/95/400190095.db2.gz LVJQGHYYFBXIGG-MRXNPFEDSA-N 1 0 320.433 3.187 10 0 DGAERO CC(=O)Nc1cccc([C@H]2COCCN2Cc2ccccc2)c1 ZINC000616640518 400191392 /nfs/dbraw/zinc/19/13/92/400191392.db2.gz WKQBOVGSWUDWBF-LJQANCHMSA-N 1 0 310.397 3.219 10 0 DGAERO C[N@@H+]1CCCOC[C@H]1c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000616649645 400192780 /nfs/dbraw/zinc/19/27/80/400192780.db2.gz PFLZSQHLFFFMKB-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO CCOC(=O)c1cccc([C@H]2C[N@@H+](C(C)(C)C)CCCO2)c1 ZINC000616652043 400192946 /nfs/dbraw/zinc/19/29/46/400192946.db2.gz CTSBVIHSNQMPDV-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO CCOC(=O)c1cccc([C@H]2COCC[N@@H+](C(C)(C)C)C2)c1 ZINC000616659125 400194990 /nfs/dbraw/zinc/19/49/90/400194990.db2.gz HFXRDUAUEJWXJG-MRXNPFEDSA-N 1 0 305.418 3.078 10 0 DGAERO OCCc1ccc([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000616662850 400196350 /nfs/dbraw/zinc/19/63/50/400196350.db2.gz ASUCZPMZCQNAMJ-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1nccc2ccccc21 ZINC000616678832 400200210 /nfs/dbraw/zinc/20/02/10/400200210.db2.gz NAMZBTJCOBLFOW-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccc2cccnc2c1 ZINC000616683642 400202770 /nfs/dbraw/zinc/20/27/70/400202770.db2.gz SNLQMIHVULXIEB-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO CCOC(=O)c1ccc([C@@H]2CC[N@@H+](C(C)(C)C)CCO2)cc1 ZINC000616687310 400203898 /nfs/dbraw/zinc/20/38/98/400203898.db2.gz TYTBQHYKLOYSAN-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO CC[NH+](CC)C[C@H](C)NCc1ccsc1Br ZINC000388992952 400267722 /nfs/dbraw/zinc/26/77/22/400267722.db2.gz VOPFOMLYJKKCIY-JTQLQIEISA-N 1 0 305.285 3.331 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000389416128 400269593 /nfs/dbraw/zinc/26/95/93/400269593.db2.gz MLIHJLLHEQTOIB-NRUUGDAUSA-N 1 0 304.217 3.121 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+]Cc1cnc2ccccc2n1 ZINC000390569859 400272261 /nfs/dbraw/zinc/27/22/61/400272261.db2.gz BDDPIKFLLVFUQC-OAHLLOKOSA-N 1 0 307.397 3.325 10 0 DGAERO CC[N@H+](CCCCCCO)[C@H]1CCc2cc(OC)ccc2C1 ZINC000028766351 400293092 /nfs/dbraw/zinc/29/30/92/400293092.db2.gz FOAMCKQEKSLNSA-SFHVURJKSA-N 1 0 305.462 3.427 10 0 DGAERO CN(C(=O)OC(C)(C)C)[C@H](C(=[NH2+])NO)c1ccc(Cl)cc1 ZINC000409440654 400301737 /nfs/dbraw/zinc/30/17/37/400301737.db2.gz LXBOKBSAVZHPAQ-NSHDSACASA-N 1 0 313.785 3.204 10 0 DGAERO c1ccc(N2CCC([NH2+]Cc3ccc4cccnc4c3)CC2)nc1 ZINC000589640190 400312752 /nfs/dbraw/zinc/31/27/52/400312752.db2.gz FJKKHTHGMZUNKB-UHFFFAOYSA-N 1 0 318.424 3.388 10 0 DGAERO CCC1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105164084 400320219 /nfs/dbraw/zinc/32/02/19/400320219.db2.gz DEZVNWRFGYFBHE-AQFXKWCLSA-N 1 0 309.498 3.375 10 0 DGAERO COc1cc(N)cc(Cl)c1OCCC[N@@H+]1CCC[C@H](C)C1 ZINC000033882201 400384659 /nfs/dbraw/zinc/38/46/59/400384659.db2.gz LGCOQOVCNSXNJV-LBPRGKRZSA-N 1 0 312.841 3.432 10 0 DGAERO CCc1nc(Cl)c2n1CC[NH2+][C@@H]2CCc1ccc(C#N)cc1 ZINC000114155589 400385369 /nfs/dbraw/zinc/38/53/69/400385369.db2.gz ZOZMMVHLJVVLOO-CQSZACIVSA-N 1 0 314.820 3.248 10 0 DGAERO CCCOc1ccc(Br)cc1C[NH2+][C@H](C)COC ZINC000034991604 400387710 /nfs/dbraw/zinc/38/77/10/400387710.db2.gz RYGHNJRDNPHZFO-LLVKDONJSA-N 1 0 316.239 3.362 10 0 DGAERO c1cnc(-c2ccc3c(c2)CC2(CC[NH+](C4CCC4)CC2)O3)cn1 ZINC000114728663 400389497 /nfs/dbraw/zinc/38/94/97/400389497.db2.gz FRGPOQHZPWSNOF-UHFFFAOYSA-N 1 0 321.424 3.466 10 0 DGAERO [NH3+]CCc1cc(O)c(OCc2ccccc2)c(Br)c1 ZINC000036472928 400390052 /nfs/dbraw/zinc/39/00/52/400390052.db2.gz PNVAXMLBAZITLW-UHFFFAOYSA-N 1 0 322.202 3.235 10 0 DGAERO CCOC(=O)CC[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000611038681 400340517 /nfs/dbraw/zinc/34/05/17/400340517.db2.gz XYMHRPICDNLCQG-HNNXBMFYSA-N 1 0 323.408 3.260 10 0 DGAERO Cc1cc([C@H](C)NC(=O)c2ccccc2CC[NH3+])c(C)s1 ZINC000070551941 400353425 /nfs/dbraw/zinc/35/34/25/400353425.db2.gz XOAKVBOVRLEVFO-LBPRGKRZSA-N 1 0 302.443 3.357 10 0 DGAERO CCC(CC)(CNC(=O)[C@@H](C)COC)[NH2+][C@@H](C)c1ccccc1 ZINC000111634867 400366282 /nfs/dbraw/zinc/36/62/82/400366282.db2.gz KAORJPJIBVSMKV-HOTGVXAUSA-N 1 0 320.477 3.295 10 0 DGAERO O[C@H]1CCC[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000037166163 400393667 /nfs/dbraw/zinc/39/36/67/400393667.db2.gz NMBUTHAPWJSXKN-ZFWWWQNUSA-N 1 0 306.406 3.342 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC/C=C/c2ccccc2)C1 ZINC000112749096 400376560 /nfs/dbraw/zinc/37/65/60/400376560.db2.gz CVZNVJNCLVZQKV-WGLAMXGCSA-N 1 0 315.461 3.119 10 0 DGAERO Cc1nc([C@]2(N)CCC[N@H+](Cc3ccccc3)C2)sc1C ZINC000041182563 400403830 /nfs/dbraw/zinc/40/38/30/400403830.db2.gz UMBKJIRYNXUVOR-KRWDZBQOSA-N 1 0 301.459 3.210 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000041308043 400405557 /nfs/dbraw/zinc/40/55/57/400405557.db2.gz TWFPRXUYXNQARA-VQIMIIECSA-N 1 0 310.441 3.284 10 0 DGAERO Cc1noc([C@@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000590819093 400441853 /nfs/dbraw/zinc/44/18/53/400441853.db2.gz JBWRAKHTXPSJSJ-ZBFHGGJFSA-N 1 0 306.454 3.027 10 0 DGAERO Cc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c(C)n1 ZINC000187516081 292153160 /nfs/dbraw/zinc/15/31/60/292153160.db2.gz LFCQSWZKHDSOIP-AWEZNQCLSA-N 1 0 304.438 3.084 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)C(C)(C)C ZINC000074317151 400504559 /nfs/dbraw/zinc/50/45/59/400504559.db2.gz ZCDPZRPYPCYVKY-SNVBAGLBSA-N 1 0 313.239 3.412 10 0 DGAERO C[C@@]1(CNC(=O)Nc2cccnc2)CCC[N@@H+]1Cc1ccccc1 ZINC000122420851 400461478 /nfs/dbraw/zinc/46/14/78/400461478.db2.gz XGQXSVCBLVANHL-IBGZPJMESA-N 1 0 324.428 3.258 10 0 DGAERO C[C@]1(CNC(=O)Nc2ccncc2)CCC[N@@H+]1Cc1ccccc1 ZINC000122419208 400461964 /nfs/dbraw/zinc/46/19/64/400461964.db2.gz TUKROMZHDVHCOL-LJQANCHMSA-N 1 0 324.428 3.258 10 0 DGAERO C[NH+](C)C[C@@H]1CN(CCCc2cccc3ccccc32)CCO1 ZINC000124658264 400477321 /nfs/dbraw/zinc/47/73/21/400477321.db2.gz XSANXAMRYYZHOU-LJQANCHMSA-N 1 0 312.457 3.035 10 0 DGAERO Cc1ccc(-c2noc(CN3CCC[C@H](n4ccnc4)C3)n2)cc1 ZINC000591082507 400484783 /nfs/dbraw/zinc/48/47/83/400484783.db2.gz HIIILHNRUSCVBM-INIZCTEOSA-N 1 0 323.400 3.079 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4sccc4s3)C[C@H]21 ZINC000125755446 400485165 /nfs/dbraw/zinc/48/51/65/400485165.db2.gz GPICWAIDOQCOPX-HBNTYKKESA-N 1 0 306.456 3.162 10 0 DGAERO CC/C(=C\c1ncc(Br)cc1Br)C[NH3+] ZINC000130206755 400535698 /nfs/dbraw/zinc/53/56/98/400535698.db2.gz VUJKPCGXMQSKSD-XVNBXDOJSA-N 1 0 320.028 3.359 10 0 DGAERO CC(C)[C@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000074793037 400537911 /nfs/dbraw/zinc/53/79/11/400537911.db2.gz ZOUALEBCOADYFY-OOKSDGMUSA-N 1 0 321.509 3.469 10 0 DGAERO COC(=O)c1csc(C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000602697205 400543018 /nfs/dbraw/zinc/54/30/18/400543018.db2.gz DVUMVYLEOUIAPR-UHFFFAOYSA-N 1 0 301.358 3.156 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000141527602 400625671 /nfs/dbraw/zinc/62/56/71/400625671.db2.gz BOFSZWSMPALWFY-DLBZAZTESA-N 1 0 316.445 3.375 10 0 DGAERO c1ccc(N2CCN3Cc4[nH]c5ccccc5c4C[C@@H]3C2)cc1 ZINC000142110410 400628515 /nfs/dbraw/zinc/62/85/15/400628515.db2.gz BKUAQVITXKPPJO-MRXNPFEDSA-N 1 0 303.409 3.415 10 0 DGAERO CCOC(=O)c1nc(C[NH2+]CCCc2ccccc2)sc1C ZINC000142714086 400632518 /nfs/dbraw/zinc/63/25/18/400632518.db2.gz YXVBEHSZYHOJKC-UHFFFAOYSA-N 1 0 318.442 3.351 10 0 DGAERO CCOC(=O)c1ncc(C[NH2+][C@@H]2CCC[C@H]2SCC)s1 ZINC000602829469 400585672 /nfs/dbraw/zinc/58/56/72/400585672.db2.gz IYSPNYDGNLDNSB-VXGBXAGGSA-N 1 0 314.476 3.084 10 0 DGAERO C[NH+](C)CC(C)(C)CN1C(=O)c2cccc3cccc(c32)C1=O ZINC000137768610 400596026 /nfs/dbraw/zinc/59/60/26/400596026.db2.gz YVCVVAMFKSYHAL-UHFFFAOYSA-N 1 0 310.397 3.024 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618664435 400659306 /nfs/dbraw/zinc/65/93/06/400659306.db2.gz SRNANAXCGYFIMA-WBVHZDCISA-N 1 0 322.493 3.295 10 0 DGAERO C[C@@H](CC(=O)N1CCC([NH+](C)C)CC1)Cc1ccc(Cl)cc1 ZINC000092878345 545850873 /nfs/dbraw/zinc/85/08/73/545850873.db2.gz SSSOPDBUXILHNS-CQSZACIVSA-N 1 0 322.880 3.461 10 0 DGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)c(Br)o1 ZINC000052274989 400726393 /nfs/dbraw/zinc/72/63/93/400726393.db2.gz PYTZKIKQYQPJFO-SVGQVSJJSA-N 1 0 309.001 3.303 10 0 DGAERO C[C@H]1C[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H](C)O1 ZINC000077247040 400701830 /nfs/dbraw/zinc/70/18/30/400701830.db2.gz NRXJCPPGYUAGOJ-RYUDHWBXSA-N 1 0 321.808 3.042 10 0 DGAERO CC[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1nccs1 ZINC000155550769 400704197 /nfs/dbraw/zinc/70/41/97/400704197.db2.gz YPDOOGIAEOGLPG-AWEZNQCLSA-N 1 0 324.494 3.015 10 0 DGAERO CCC[N@H+](C)CC(=O)NCc1ccc(-c2csc(C)n2)cc1 ZINC000592828970 400707002 /nfs/dbraw/zinc/70/70/02/400707002.db2.gz BWASBHHHOJHVPF-UHFFFAOYSA-N 1 0 317.458 3.077 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1cccc(Br)c1 ZINC000077897802 400753521 /nfs/dbraw/zinc/75/35/21/400753521.db2.gz WKNHTJNIEZPRLL-SNVBAGLBSA-N 1 0 310.191 3.385 10 0 DGAERO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)c1nccs1 ZINC000157550368 400717124 /nfs/dbraw/zinc/71/71/24/400717124.db2.gz AMPSTJVSPLPTLO-IHRRRGAJSA-N 1 0 324.494 3.014 10 0 DGAERO COc1ccc(OC)c(C[N@H+](CC2CCOCC2)C2CC2)c1 ZINC000171823862 400807496 /nfs/dbraw/zinc/80/74/96/400807496.db2.gz NDFKSKLALVUZKZ-UHFFFAOYSA-N 1 0 305.418 3.095 10 0 DGAERO CN(CCCc1ccccc1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171610210 400802611 /nfs/dbraw/zinc/80/26/11/400802611.db2.gz GZWJUXGHRXUELU-HXUWFJFHSA-N 1 0 324.468 3.251 10 0 DGAERO c1cc2c(ccnc2NC2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000605570389 400875806 /nfs/dbraw/zinc/87/58/06/400875806.db2.gz GJSJCLTYFVWPFL-CYBMUJFWSA-N 1 0 317.458 3.209 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605690337 400883093 /nfs/dbraw/zinc/88/30/93/400883093.db2.gz MLXGRBPHDRGYTQ-QILLFSRXSA-N 1 0 318.436 3.405 10 0 DGAERO CC(C)[C@H](C)CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000172359761 400822974 /nfs/dbraw/zinc/82/29/74/400822974.db2.gz UAEKHPRVRPKCRE-HUUCEWRRSA-N 1 0 307.438 3.008 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000605141140 400841744 /nfs/dbraw/zinc/84/17/44/400841744.db2.gz IIKFXRZYCQQPRN-SJORKVTESA-N 1 0 318.486 3.178 10 0 DGAERO CCOC(=O)[C@](C)(C[NH2+][C@@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000619430717 400847308 /nfs/dbraw/zinc/84/73/08/400847308.db2.gz SRXQDVYXABCZMJ-ZIFCJYIRSA-N 1 0 319.445 3.055 10 0 DGAERO COc1ccccc1-c1ccc(C[NH2+]Cc2ccnn2C)cc1 ZINC000174265048 400855219 /nfs/dbraw/zinc/85/52/19/400855219.db2.gz NGGGYZYPEHZXES-UHFFFAOYSA-N 1 0 307.397 3.386 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000606638880 400936811 /nfs/dbraw/zinc/93/68/11/400936811.db2.gz DXIVJNTZIKTSRK-DLBZAZTESA-N 1 0 317.477 3.272 10 0 DGAERO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000606658989 400941893 /nfs/dbraw/zinc/94/18/93/400941893.db2.gz HIMVCVFTWWLEJY-HOTGVXAUSA-N 1 0 305.466 3.128 10 0 DGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)CC/C=C\c1ccccc1 ZINC000606372838 400904514 /nfs/dbraw/zinc/90/45/14/400904514.db2.gz DTSLJJQUEXSDPX-QPLYDRNXSA-N 1 0 300.446 3.471 10 0 DGAERO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CCCCCC1 ZINC000079932833 400907312 /nfs/dbraw/zinc/90/73/12/400907312.db2.gz UNGKJEKJFLBJET-ZDUSSCGKSA-N 1 0 320.399 3.442 10 0 DGAERO COC[C@H](C)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000189556519 400909417 /nfs/dbraw/zinc/90/94/17/400909417.db2.gz DWSUWZGUAFYWFU-CYBMUJFWSA-N 1 0 310.413 3.147 10 0 DGAERO c1cncc([C@@H]([NH2+]CCCO[C@H]2CCOC2)C2CCCCC2)c1 ZINC000606432914 400910556 /nfs/dbraw/zinc/91/05/56/400910556.db2.gz XOOXQFPTYBHJFH-OALUTQOASA-N 1 0 318.461 3.488 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)C[C@H]2C=CCC2)CC1 ZINC000198210929 400929063 /nfs/dbraw/zinc/92/90/63/400929063.db2.gz VJTOXCIXGCSABH-INIZCTEOSA-N 1 0 313.445 3.123 10 0 DGAERO COc1cc(C[NH2+]CCCC2CC2)cc(Br)c1O ZINC000080203631 400931019 /nfs/dbraw/zinc/93/10/19/400931019.db2.gz CKKYVEVIUVVILL-UHFFFAOYSA-N 1 0 314.223 3.443 10 0 DGAERO Cc1cc(N2CCC[C@H](NC(=O)C(C)C)C2)c2ccccc2[nH+]1 ZINC000080975474 401010854 /nfs/dbraw/zinc/01/08/54/401010854.db2.gz QSHGTJJKNUGVRG-HNNXBMFYSA-N 1 0 311.429 3.284 10 0 DGAERO CC1(Nc2ccc(N)cc2I)CCC1 ZINC000228830470 400965058 /nfs/dbraw/zinc/96/50/58/400965058.db2.gz HACRLZSIBHNVNH-UHFFFAOYSA-N 1 0 302.159 3.228 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cccc(C)c2)[C@@H](C)C1 ZINC000247561059 401057327 /nfs/dbraw/zinc/05/73/27/401057327.db2.gz ZPJOTACOMPJCLJ-WMZOPIPTSA-N 1 0 302.462 3.116 10 0 DGAERO CCCC[N@H+](C[C@@H](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000248606330 401073003 /nfs/dbraw/zinc/07/30/03/401073003.db2.gz WITIXLBGHAXWMQ-WMZOPIPTSA-N 1 0 323.502 3.154 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000246194472 401022094 /nfs/dbraw/zinc/02/20/94/401022094.db2.gz JSKGNNSFNQHZHY-RVKKMQEKSA-N 1 0 315.461 3.269 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000246199517 401023624 /nfs/dbraw/zinc/02/36/24/401023624.db2.gz LEKFKLKLGQVTEY-IIDMSEBBSA-N 1 0 315.461 3.126 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000246199524 401023794 /nfs/dbraw/zinc/02/37/94/401023794.db2.gz LEKFKLKLGQVTEY-RKVPGOIHSA-N 1 0 315.461 3.126 10 0 DGAERO CCc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246453292 401029179 /nfs/dbraw/zinc/02/91/79/401029179.db2.gz OUPUBWUDEUHOTP-QAPCUYQASA-N 1 0 315.461 3.190 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000246618104 401033545 /nfs/dbraw/zinc/03/35/45/401033545.db2.gz MPCLCBRQOZAXPP-SJORKVTESA-N 1 0 302.462 3.246 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000057879637 401034781 /nfs/dbraw/zinc/03/47/81/401034781.db2.gz OBTPEEDIOOUXAJ-ZDUSSCGKSA-N 1 0 319.449 3.085 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000247022340 401043061 /nfs/dbraw/zinc/04/30/61/401043061.db2.gz OQKHTCBVCZWXNP-IAGOWNOFSA-N 1 0 317.477 3.337 10 0 DGAERO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249326752 401083382 /nfs/dbraw/zinc/08/33/82/401083382.db2.gz ULPNXMOPNBYXRP-XJFOESAGSA-N 1 0 320.399 3.439 10 0 DGAERO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000247184945 401047078 /nfs/dbraw/zinc/04/70/78/401047078.db2.gz ZJRBCYZRAFWTDF-GJYPPUQNSA-N 1 0 313.441 3.380 10 0 DGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000607652566 401100757 /nfs/dbraw/zinc/10/07/57/401100757.db2.gz XIXCEAAHAJGJMY-FMKPAKJESA-N 1 0 322.399 3.059 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000254979824 401101889 /nfs/dbraw/zinc/10/18/89/401101889.db2.gz NNIKTQCXJORDGM-TWGQIWQCSA-N 1 0 308.429 3.091 10 0 DGAERO c1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCOC2CCOCC2)cc1 ZINC000625334575 401103416 /nfs/dbraw/zinc/10/34/16/401103416.db2.gz RWNGDIUIPNJQRM-OALUTQOASA-N 1 0 303.446 3.498 10 0 DGAERO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262242327 401115718 /nfs/dbraw/zinc/11/57/18/401115718.db2.gz BQMAMTOCUNLYHF-UXLLHSPISA-N 1 0 318.461 3.306 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000262460828 401117760 /nfs/dbraw/zinc/11/77/60/401117760.db2.gz JTRZTKMORDLBHV-BGTYHANMSA-N 1 0 300.446 3.135 10 0 DGAERO c1ccc([C@@H]2C[N@@H+](CCOC3CCOCC3)CC23CCC3)cc1 ZINC000625470793 401138239 /nfs/dbraw/zinc/13/82/39/401138239.db2.gz LKJVCEMFOOLRCS-IBGZPJMESA-N 1 0 315.457 3.452 10 0 DGAERO C(=C/[C@@H]1CCC[N@H+]1CCOC1CCOCC1)\c1ccccc1 ZINC000625316027 401096692 /nfs/dbraw/zinc/09/66/92/401096692.db2.gz VCQFKRCMWLZDGT-BLGFXRMMSA-N 1 0 301.430 3.360 10 0 DGAERO C(=C\[C@H]1CCC[N@H+]1CCOC1CCOCC1)\c1ccccc1 ZINC000625316028 401096845 /nfs/dbraw/zinc/09/68/45/401096845.db2.gz VCQFKRCMWLZDGT-CNZFZVQHSA-N 1 0 301.430 3.360 10 0 DGAERO Cc1nc2ccccc2n1CC[NH2+]Cc1nc2ccccc2o1 ZINC000607642631 401099421 /nfs/dbraw/zinc/09/94/21/401099421.db2.gz HMVMBUWRIBPXSK-UHFFFAOYSA-N 1 0 306.369 3.276 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@H](C)Cc2cccs2)n1 ZINC000615761608 401149615 /nfs/dbraw/zinc/14/96/15/401149615.db2.gz URMIAFHUZYBXRY-LLVKDONJSA-N 1 0 324.471 3.145 10 0 DGAERO CC1=CCN(CC[NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000358248389 286010390 /nfs/dbraw/zinc/01/03/90/286010390.db2.gz IRXZXZLDZJKFCG-CQSZACIVSA-N 1 0 305.491 3.325 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000615795756 401154533 /nfs/dbraw/zinc/15/45/33/401154533.db2.gz KQJPAGFGHYUJNJ-HOTGVXAUSA-N 1 0 305.418 3.086 10 0 DGAERO c1ccc2c(c1)oc1c2ncnc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594709032 401157313 /nfs/dbraw/zinc/15/73/13/401157313.db2.gz BKXJLPSACDOXMV-CYBMUJFWSA-N 1 0 308.385 3.272 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(C)CC2)[C@@H]1c1cccs1 ZINC000358263540 286014723 /nfs/dbraw/zinc/01/47/23/286014723.db2.gz HIMVTJDADMAHNT-DZGCQCFKSA-N 1 0 321.490 3.230 10 0 DGAERO C[C@H](C(=O)NC[C@H]1C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600005911 401168940 /nfs/dbraw/zinc/16/89/40/401168940.db2.gz FLXVFFYRRGJPQV-GPMSIDNRSA-N 1 0 314.473 3.102 10 0 DGAERO CC1(C)C[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)C(C)(C)O1 ZINC000358287139 286020939 /nfs/dbraw/zinc/02/09/39/286020939.db2.gz IVRXMMCVYQOEOT-CJNGLKHVSA-N 1 0 305.418 3.152 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(F)cn1 ZINC000358302355 286025567 /nfs/dbraw/zinc/02/55/67/286025567.db2.gz QNDZBUUADYPAHS-OCCSQVGLSA-N 1 0 302.349 3.101 10 0 DGAERO COc1nsc(C[NH2+]CC2CC(C)C2)c1Br ZINC000630073299 401176230 /nfs/dbraw/zinc/17/62/30/401176230.db2.gz CTCMDYRIAUXYQW-UHFFFAOYSA-N 1 0 305.241 3.050 10 0 DGAERO CCc1cnc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000608495362 401262796 /nfs/dbraw/zinc/26/27/96/401262796.db2.gz HQUPCRKNPKNMCC-MRXNPFEDSA-N 1 0 305.466 3.325 10 0 DGAERO CN1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000090251085 401264425 /nfs/dbraw/zinc/26/44/25/401264425.db2.gz LARLFNUHTXBVRM-GFCCVEGCSA-N 1 0 317.658 3.286 10 0 DGAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000090773366 401273999 /nfs/dbraw/zinc/27/39/99/401273999.db2.gz KOJLTIQCQYYDKG-ZDPZECHZSA-N 1 0 322.518 3.195 10 0 DGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc(Cl)ccc1Cl)C2 ZINC000634749402 401343570 /nfs/dbraw/zinc/34/35/70/401343570.db2.gz RHBKZHOZMNHZQP-GASCZTMLSA-N 1 0 313.228 3.065 10 0 DGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc(Cl)cc1Cl)C2 ZINC000634749625 401343591 /nfs/dbraw/zinc/34/35/91/401343591.db2.gz AUTPNVLAXXGLOS-GASCZTMLSA-N 1 0 313.228 3.065 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C[NH3+] ZINC000630582134 401291494 /nfs/dbraw/zinc/29/14/94/401291494.db2.gz QTUZXSJSIFWZJX-RKDXNWHRSA-N 1 0 302.205 3.052 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000066176716 401294987 /nfs/dbraw/zinc/29/49/87/401294987.db2.gz UBPRTUGFVGMCOX-RWMBFGLXSA-N 1 0 323.403 3.137 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)c2ccccc21 ZINC000621759999 401296169 /nfs/dbraw/zinc/29/61/69/401296169.db2.gz CVGLDKVAPHSTLK-HOCLYGCPSA-N 1 0 302.418 3.032 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)c2ccccn2)c2ccccc21 ZINC000621764659 401297947 /nfs/dbraw/zinc/29/79/47/401297947.db2.gz KKVRHAGBDROHGH-RDTXWAMCSA-N 1 0 309.413 3.273 10 0 DGAERO c1cc(C[NH2+]CCCCNc2ccccn2)n(CC2CCC2)n1 ZINC000631061775 401381241 /nfs/dbraw/zinc/38/12/41/401381241.db2.gz GOTRMKCQKAZXLG-UHFFFAOYSA-N 1 0 313.449 3.060 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CCOc3ccccc32)n(CC2CCC2)n1 ZINC000631069187 401383024 /nfs/dbraw/zinc/38/30/24/401383024.db2.gz PNJWEDMLPIRSLL-INIZCTEOSA-N 1 0 311.429 3.339 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1cccc(Cl)c1 ZINC000634952893 401387758 /nfs/dbraw/zinc/38/77/58/401387758.db2.gz LQLSHVVRHSYFDI-GJZGRUSLSA-N 1 0 315.866 3.348 10 0 DGAERO c1cnc2cc(C[NH2+]CC3([C@H]4CCCCO4)CCC3)ccc2n1 ZINC000634988954 401396583 /nfs/dbraw/zinc/39/65/83/401396583.db2.gz MQLYYUZFVXHKDU-GOSISDBHSA-N 1 0 311.429 3.459 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@@H]2CCCC23CC3)cs1)C1CC1 ZINC000631190827 401421204 /nfs/dbraw/zinc/42/12/04/401421204.db2.gz CNWOYYILTPGVBY-CQSZACIVSA-N 1 0 305.447 3.081 10 0 DGAERO O[C@H](CC[NH2+]Cc1ccc(OCc2ccccc2)cc1)C(F)F ZINC000631220045 401429291 /nfs/dbraw/zinc/42/92/91/401429291.db2.gz SPFPSDKYVGUQFZ-QGZVFWFLSA-N 1 0 321.367 3.371 10 0 DGAERO Brc1ccc(C[NH2+]Cc2cccc3c2CCOC3)o1 ZINC000631246106 401436072 /nfs/dbraw/zinc/43/60/72/401436072.db2.gz YFFDSNKPPGXXND-UHFFFAOYSA-N 1 0 322.202 3.405 10 0 DGAERO c1nc(C2CC2)ncc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000631244783 401436249 /nfs/dbraw/zinc/43/62/49/401436249.db2.gz DTQJXZWRQZUTQL-MRXNPFEDSA-N 1 0 301.434 3.183 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@H](C)CC2CCC2)cs1)C1CC1 ZINC000631252487 401438235 /nfs/dbraw/zinc/43/82/35/401438235.db2.gz YKMBVLMGPGXBGJ-LLVKDONJSA-N 1 0 307.463 3.327 10 0 DGAERO c1cn(-c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)cc2)cn1 ZINC000631253967 401438694 /nfs/dbraw/zinc/43/86/94/401438694.db2.gz MPVCSUGZZOKSHC-RBUKOAKNSA-N 1 0 311.429 3.310 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)CC[C@@H](C)SC)CC1 ZINC000358428287 286059554 /nfs/dbraw/zinc/05/95/54/286059554.db2.gz OOAGYDFWCFXEAS-CQSZACIVSA-N 1 0 300.512 3.099 10 0 DGAERO c1ccc2nc(CC[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)ccc2c1 ZINC000631578021 401504035 /nfs/dbraw/zinc/50/40/35/401504035.db2.gz VLEDZRBJAQQXGB-WDSOQIARSA-N 1 0 308.425 3.325 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)ccn1 ZINC000623496519 401532549 /nfs/dbraw/zinc/53/25/49/401532549.db2.gz ZNJONGOQPQSKIF-FQEVSTJZSA-N 1 0 309.457 3.390 10 0 DGAERO c1cc(-c2nc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)cs2)cs1 ZINC000631888104 401563543 /nfs/dbraw/zinc/56/35/43/401563543.db2.gz UFKRSUHEEIPZKM-WFASDCNBSA-N 1 0 319.499 3.446 10 0 DGAERO Brc1ccccc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886599 401564058 /nfs/dbraw/zinc/56/40/58/401564058.db2.gz KUBZLAJQYOYJQG-DOMZBBRYSA-N 1 0 309.251 3.023 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1C ZINC000631887007 401564124 /nfs/dbraw/zinc/56/41/24/401564124.db2.gz NTMCRDOUCRKNLP-HKUYNNGSSA-N 1 0 314.473 3.388 10 0 DGAERO Brc1cccc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890330 401564707 /nfs/dbraw/zinc/56/47/07/401564707.db2.gz QWTXORMGFICUOI-DZGCQCFKSA-N 1 0 309.251 3.023 10 0 DGAERO Cc1ncc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000628286861 401567822 /nfs/dbraw/zinc/56/78/22/401567822.db2.gz CPIUPCDJKXUUIO-GOSISDBHSA-N 1 0 313.445 3.375 10 0 DGAERO C(c1nc(C2CCC2)no1)C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000628457311 401599399 /nfs/dbraw/zinc/59/93/99/401599399.db2.gz MNMDLNVLNRHSSU-CQSZACIVSA-N 1 0 321.490 3.345 10 0 DGAERO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)CO1 ZINC000623702072 401569572 /nfs/dbraw/zinc/56/95/72/401569572.db2.gz BLDQUHNTIKFEME-ZJUUUORDSA-N 1 0 320.177 3.384 10 0 DGAERO c1nc2c(s1)CCC[C@H]2[NH2+]C1CCN(c2ccccn2)CC1 ZINC000623863268 401589900 /nfs/dbraw/zinc/58/99/00/401589900.db2.gz NSRCMDXNZDDUNP-CQSZACIVSA-N 1 0 314.458 3.174 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000628422780 401595224 /nfs/dbraw/zinc/59/52/24/401595224.db2.gz KKIZIVANHMCFRS-DYEKYZERSA-N 1 0 310.488 3.465 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000631731696 401546118 /nfs/dbraw/zinc/54/61/18/401546118.db2.gz AVKSYSGZBUIKFQ-MRXNPFEDSA-N 1 0 318.420 3.498 10 0 DGAERO C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1([C@@H]2CCCCO2)CCC1 ZINC000631731714 401546399 /nfs/dbraw/zinc/54/63/99/401546399.db2.gz BHKHTPAVQPVWFA-QAETUUGQSA-N 1 0 305.462 3.273 10 0 DGAERO c1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCN3C3CCCCC3)C2)cc1 ZINC000623614454 401556463 /nfs/dbraw/zinc/55/64/63/401556463.db2.gz HDOSCAURKGUZOW-YLJYHZDGSA-N 1 0 313.489 3.262 10 0 DGAERO O=C(c1cc2sccc2s1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632875104 401634175 /nfs/dbraw/zinc/63/41/75/401634175.db2.gz JGGIAAJJQNRZOK-WDEREUQCSA-N 1 0 306.456 3.177 10 0 DGAERO c1n[nH]cc1C[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000624214245 401639907 /nfs/dbraw/zinc/63/99/07/401639907.db2.gz WKMHTINXFXUADG-UHFFFAOYSA-N 1 0 307.397 3.416 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(Cl)c(Cl)c1Cl ZINC000624235881 401642513 /nfs/dbraw/zinc/64/25/13/401642513.db2.gz RHAOZYMXDXZALU-XROYCOCOSA-N 1 0 324.635 3.447 10 0 DGAERO c1ncn2c1c(NC[C@H]1CCOC3(CCC3)C1)nc1ccccc12 ZINC000624252975 401643735 /nfs/dbraw/zinc/64/37/35/401643735.db2.gz QLENXIVCFULRBR-AWEZNQCLSA-N 1 0 322.412 3.066 10 0 DGAERO c1csc(CC2C[NH+](Cc3ccccc3-n3cncn3)C2)c1 ZINC000628479104 401604280 /nfs/dbraw/zinc/60/42/80/401604280.db2.gz ZWTCHJWQISCMIA-UHFFFAOYSA-N 1 0 310.426 3.003 10 0 DGAERO Cc1c2ccc(F)cc2sc1C(=O)NCCCC[NH+](C)C ZINC000358531129 286085019 /nfs/dbraw/zinc/08/50/19/286085019.db2.gz GRCOSPNJFGXCGR-UHFFFAOYSA-N 1 0 308.422 3.420 10 0 DGAERO Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1C ZINC000261737085 292213035 /nfs/dbraw/zinc/21/30/35/292213035.db2.gz LKSFSSYRGSLWBR-KURKYZTESA-N 1 0 300.446 3.342 10 0 DGAERO C[C@H](CSc1nnc(C2CC2)n1Cc1ccccc1)[NH+](C)C ZINC000358851720 286169545 /nfs/dbraw/zinc/16/95/45/286169545.db2.gz HZVMKTBJEMZGMN-CYBMUJFWSA-N 1 0 316.474 3.246 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@H]1CCCOC1 ZINC000358919879 286187585 /nfs/dbraw/zinc/18/75/85/286187585.db2.gz YQUQZDODJUBWCN-QAPCUYQASA-N 1 0 311.429 3.266 10 0 DGAERO CCO[C@@H](C)c1nc(CN(C)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC000124513222 286193237 /nfs/dbraw/zinc/19/32/37/286193237.db2.gz GYWNFRKRDYRZKS-ZFWWWQNUSA-N 1 0 311.495 3.157 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]Cc1cccnc1 ZINC000358923577 286188489 /nfs/dbraw/zinc/18/84/89/286188489.db2.gz CPZWZPYVZDMQLH-GOSISDBHSA-N 1 0 304.397 3.435 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@H]1CCCOCC1 ZINC000358962612 286199448 /nfs/dbraw/zinc/19/94/48/286199448.db2.gz HSFKZERADJHMFT-YJBOKZPZSA-N 1 0 311.429 3.408 10 0 DGAERO COc1cccc(CC[NH2+][C@@H]2CCCOc3cc(F)ccc32)n1 ZINC000359234683 286266254 /nfs/dbraw/zinc/26/62/54/286266254.db2.gz TXQMYBGFVWQELN-MRXNPFEDSA-N 1 0 316.376 3.275 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CSC(C)(C)C)C12CCOCC2 ZINC000186311310 286395298 /nfs/dbraw/zinc/39/52/98/286395298.db2.gz YDROHSORIMDZFX-SOUVJXGZSA-N 1 0 315.523 3.470 10 0 DGAERO C[NH+](C)CC1CCN(c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000360952095 286561257 /nfs/dbraw/zinc/56/12/57/286561257.db2.gz WMURDPJXGKZKAC-UHFFFAOYSA-N 1 0 320.824 3.168 10 0 DGAERO COc1cccc(CC[NH2+]Cc2cc(Cl)cc3c2OCC3)n1 ZINC000361042822 286583902 /nfs/dbraw/zinc/58/39/02/286583902.db2.gz MNMLJICIHDNZCJ-UHFFFAOYSA-N 1 0 318.804 3.011 10 0 DGAERO C(c1nc(C2CC2)no1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000363473513 286929526 /nfs/dbraw/zinc/92/95/26/286929526.db2.gz CXHHIMOWWMHQAT-HNNXBMFYSA-N 1 0 318.465 3.035 10 0 DGAERO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000364305694 287010403 /nfs/dbraw/zinc/01/04/03/287010403.db2.gz LIHDVOZXXLJOMV-YRPNKDGESA-N 1 0 315.457 3.326 10 0 DGAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[C@H](OC)C1 ZINC000364847738 287067340 /nfs/dbraw/zinc/06/73/40/287067340.db2.gz JXSHMPQMJAWJFJ-MSOLQXFVSA-N 1 0 312.413 3.414 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccs1 ZINC000166532936 164601933 /nfs/dbraw/zinc/60/19/33/164601933.db2.gz ABILCLRHTCXWSG-DZGCQCFKSA-N 1 0 304.463 3.191 10 0 DGAERO Cc1csc(C2CC[NH+]([C@@H]3CCCN(C(C)C)C3=O)CC2)n1 ZINC000177697322 164812791 /nfs/dbraw/zinc/81/27/91/164812791.db2.gz SLECCNZGPQVQSF-OAHLLOKOSA-N 1 0 321.490 3.030 10 0 DGAERO c1c(CN2CCC[C@H]2C[NH+]2CCCC2)[nH]nc1-c1ccccc1 ZINC000179648545 164863311 /nfs/dbraw/zinc/86/33/11/164863311.db2.gz HITQSQFGFRJLCJ-SFHVURJKSA-N 1 0 310.445 3.137 10 0 DGAERO CCc1cnccc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182818284 164944856 /nfs/dbraw/zinc/94/48/56/164944856.db2.gz HCNWSKYDZOYVGD-GDBMZVCRSA-N 1 0 315.461 3.027 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC2CC2)c2ccc(F)cc2C1 ZINC000184531732 164979364 /nfs/dbraw/zinc/97/93/64/164979364.db2.gz FXVCWBLRLSEIRR-KPZWWZAWSA-N 1 0 304.409 3.397 10 0 DGAERO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184948534 164989309 /nfs/dbraw/zinc/98/93/09/164989309.db2.gz FJWPLISEIXIEJV-GOEBONIOSA-N 1 0 323.456 3.362 10 0 DGAERO C[C@H]1CCCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000185443431 165004743 /nfs/dbraw/zinc/00/47/43/165004743.db2.gz GJJUQDBXAQODIX-AWEZNQCLSA-N 1 0 321.440 3.219 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000185472539 165004927 /nfs/dbraw/zinc/00/49/27/165004927.db2.gz RMJQKHSHBJTXBT-UHFFFAOYSA-N 1 0 300.402 3.155 10 0 DGAERO Cc1ccccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185596142 165010316 /nfs/dbraw/zinc/01/03/16/165010316.db2.gz HKVCFTCOIVGYSB-RDJZCZTQSA-N 1 0 324.424 3.478 10 0 DGAERO CCC[C@H](C(=O)N1CC[C@@H](c2c(F)cccc2F)C1)[NH+](C)C ZINC000186186008 165032100 /nfs/dbraw/zinc/03/21/00/165032100.db2.gz KIIBJCMOWADPPI-IUODEOHRSA-N 1 0 310.388 3.011 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000186207533 165033572 /nfs/dbraw/zinc/03/35/72/165033572.db2.gz OHFOUNQKFRWWHV-VXGBXAGGSA-N 1 0 320.462 3.137 10 0 DGAERO COc1ccc(OCC[N@H+](C)Cc2ccc(C)nc2C)cc1 ZINC000186570261 165050727 /nfs/dbraw/zinc/05/07/27/165050727.db2.gz VZRQMHZGDZBYIQ-UHFFFAOYSA-N 1 0 300.402 3.218 10 0 DGAERO Cc1cc(C)c2c(c1)C[N@H+](Cc1cc(-c3cnn(C)c3)no1)CC2 ZINC000186729744 165056162 /nfs/dbraw/zinc/05/61/62/165056162.db2.gz JHWOEGFDFINJGE-UHFFFAOYSA-N 1 0 322.412 3.250 10 0 DGAERO CN(Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000186879587 165063571 /nfs/dbraw/zinc/06/35/71/165063571.db2.gz CMSZYPKFNXXYPA-MSOLQXFVSA-N 1 0 304.503 3.382 10 0 DGAERO Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(C)n1 ZINC000187137963 165079225 /nfs/dbraw/zinc/07/92/25/165079225.db2.gz BRDBLJGMSMSNNN-IBGZPJMESA-N 1 0 318.461 3.249 10 0 DGAERO O=C(CC[NH+]1CCC(n2ccnc2)CC1)c1ccc(F)cc1F ZINC000187138212 165079239 /nfs/dbraw/zinc/07/92/39/165079239.db2.gz VBKROEMLNGNYTN-UHFFFAOYSA-N 1 0 319.355 3.071 10 0 DGAERO CCCCNC(=O)C1([NH2+]Cc2ccc(C)nc2C)CCCCC1 ZINC000187283430 165082942 /nfs/dbraw/zinc/08/29/42/165082942.db2.gz JTOCTPCMLYBJCB-UHFFFAOYSA-N 1 0 317.477 3.407 10 0 DGAERO CC1(C)[C@H]([NH2+]CC2(CCO)CC2)C[C@H]1OCc1ccccc1 ZINC000188062279 165110352 /nfs/dbraw/zinc/11/03/52/165110352.db2.gz NEJAIAYLOMOFBV-IAGOWNOFSA-N 1 0 303.446 3.123 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000188534794 165126271 /nfs/dbraw/zinc/12/62/71/165126271.db2.gz XFRTWKCJSIBRAZ-UHFFFAOYSA-N 1 0 315.417 3.495 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188617681 165131234 /nfs/dbraw/zinc/13/12/34/165131234.db2.gz QAGHZFJHKBSLEW-RBUKOAKNSA-N 1 0 312.457 3.220 10 0 DGAERO CC(C)[C@H](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188957651 165142892 /nfs/dbraw/zinc/14/28/92/165142892.db2.gz ZGSAYKDDKNBYSA-MRRJBJDNSA-N 1 0 324.415 3.209 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000188962988 165143262 /nfs/dbraw/zinc/14/32/62/165143262.db2.gz IULXAPXUGFLPTI-UHFFFAOYSA-N 1 0 321.465 3.128 10 0 DGAERO COCCC1(C[NH2+]C2CCN(C(=O)C(C)C)CC2)CCCCC1 ZINC000189032877 165146493 /nfs/dbraw/zinc/14/64/93/165146493.db2.gz WEHUYSWSKBECLZ-UHFFFAOYSA-N 1 0 324.509 3.210 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](O)CC(F)(F)F)C2)cc1 ZINC000189362741 165159122 /nfs/dbraw/zinc/15/91/22/165159122.db2.gz OWWREHODHYEVNG-MRVWCRGKSA-N 1 0 317.351 3.186 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)NCCC[NH+]1CCCCC1 ZINC000189619522 165169327 /nfs/dbraw/zinc/16/93/27/165169327.db2.gz NQGFTQMRJWMSOZ-UHFFFAOYSA-N 1 0 321.490 3.010 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)O1 ZINC000189733447 165174770 /nfs/dbraw/zinc/17/47/70/165174770.db2.gz OBJBTJZZIMPSTC-HNNXBMFYSA-N 1 0 303.381 3.263 10 0 DGAERO Cc1nc([C@H]2CCCN2C[C@H](O)COc2ccccc2)cs1 ZINC000189779491 165176441 /nfs/dbraw/zinc/17/64/41/165176441.db2.gz KCSPTKGOVQHUPJ-WMLDXEAASA-N 1 0 318.442 3.028 10 0 DGAERO CCc1nnc(C2CC[NH+](CCCc3ccc(C)cc3)CC2)[nH]1 ZINC000190680274 165210802 /nfs/dbraw/zinc/21/08/02/165210802.db2.gz BRVMQTYHAYQWGZ-UHFFFAOYSA-N 1 0 312.461 3.488 10 0 DGAERO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000190693465 165213133 /nfs/dbraw/zinc/21/31/33/165213133.db2.gz AMUZZZOOAZXBIK-BRWVUGGUSA-N 1 0 307.434 3.109 10 0 DGAERO CCc1nnc(C2CC[NH+](CCc3ccccc3Cl)CC2)[nH]1 ZINC000190719804 165213848 /nfs/dbraw/zinc/21/38/48/165213848.db2.gz LSBWGBDWTIIDAL-UHFFFAOYSA-N 1 0 318.852 3.443 10 0 DGAERO C[C@@H](CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1cccc(F)c1 ZINC000190745577 165215543 /nfs/dbraw/zinc/21/55/43/165215543.db2.gz YSTGAPFOEARTFK-BBRMVZONSA-N 1 0 304.409 3.062 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000191058527 165229232 /nfs/dbraw/zinc/22/92/32/165229232.db2.gz HJCRLCBDUSMXKZ-BEFAXECRSA-N 1 0 313.445 3.464 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@@H](O)CC2CCCC2)c(OC)c1 ZINC000191226593 165237716 /nfs/dbraw/zinc/23/77/16/165237716.db2.gz ITRNEEXQFGOCMO-INIZCTEOSA-N 1 0 307.434 3.077 10 0 DGAERO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccccc1Br ZINC000191605131 165260671 /nfs/dbraw/zinc/26/06/71/165260671.db2.gz KPKFNKXIIFCQHX-SNVBAGLBSA-N 1 0 306.207 3.277 10 0 DGAERO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000191603536 165261102 /nfs/dbraw/zinc/26/11/02/165261102.db2.gz XTKDAVNYNJKQFT-UHFFFAOYSA-N 1 0 315.461 3.236 10 0 DGAERO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000192638728 165300884 /nfs/dbraw/zinc/30/08/84/165300884.db2.gz MTODAUIOVAYCQI-GFCCVEGCSA-N 1 0 313.426 3.188 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCC23CCC3)C1 ZINC000365195342 287108704 /nfs/dbraw/zinc/10/87/04/287108704.db2.gz GLJWQVFKEWSEKK-INIZCTEOSA-N 1 0 307.482 3.083 10 0 DGAERO COc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1F ZINC000192948064 165312716 /nfs/dbraw/zinc/31/27/16/165312716.db2.gz JGYOWQRKQYCSFI-CQSZACIVSA-N 1 0 315.392 3.163 10 0 DGAERO CC(C)C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000193124049 165318689 /nfs/dbraw/zinc/31/86/89/165318689.db2.gz UHKVNDSNDHKFBB-SZMVWBNQSA-N 1 0 318.461 3.047 10 0 DGAERO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc(Cl)s2)no1 ZINC000193111240 165318844 /nfs/dbraw/zinc/31/88/44/165318844.db2.gz QFXYBBHAJXRSML-VIFPVBQESA-N 1 0 313.810 3.377 10 0 DGAERO CCc1csc([C@H]2CCC[N@H+](Cc3cccnc3OC)C2)n1 ZINC000193325053 165322692 /nfs/dbraw/zinc/32/26/92/165322692.db2.gz VTOSFXIKOIIABS-AWEZNQCLSA-N 1 0 317.458 3.489 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193818746 165332385 /nfs/dbraw/zinc/33/23/85/165332385.db2.gz XHJISWNLIIUVAL-AEFFLSMTSA-N 1 0 302.462 3.307 10 0 DGAERO CC(C)C[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193818758 165333582 /nfs/dbraw/zinc/33/35/82/165333582.db2.gz XHJISWNLIIUVAL-WMZOPIPTSA-N 1 0 302.462 3.307 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC000194325653 165343042 /nfs/dbraw/zinc/34/30/42/165343042.db2.gz HNWASDLLQNJILL-LJQANCHMSA-N 1 0 308.425 3.208 10 0 DGAERO c1coc(-c2ncc(CN3CCC[N@@H+](C4CC4)CC3)s2)c1 ZINC000194363162 165344906 /nfs/dbraw/zinc/34/49/06/165344906.db2.gz QMMQRYHWJHZDBW-UHFFFAOYSA-N 1 0 303.431 3.073 10 0 DGAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N[C@@H](C)c1ccccc1 ZINC000194516779 165348049 /nfs/dbraw/zinc/34/80/49/165348049.db2.gz YDXRPQCNMLQLQU-LSDHHAIUSA-N 1 0 323.440 3.310 10 0 DGAERO Cc1csc([C@H]2CCCN(CC(=O)NCCC(C)(C)C)C2)n1 ZINC000195337475 165364649 /nfs/dbraw/zinc/36/46/49/165364649.db2.gz ZIJJEKHTZOHQHX-AWEZNQCLSA-N 1 0 323.506 3.183 10 0 DGAERO Cc1csc([C@@H]2CCCN(CC(=O)NCCC(C)(C)C)C2)n1 ZINC000195337467 165365748 /nfs/dbraw/zinc/36/57/48/165365748.db2.gz ZIJJEKHTZOHQHX-CQSZACIVSA-N 1 0 323.506 3.183 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@H](c2nccs2)C1)c1ccccc1F ZINC000195340681 165367677 /nfs/dbraw/zinc/36/76/77/165367677.db2.gz MEOZGGBGVVZEOA-SWLSCSKDSA-N 1 0 306.406 3.195 10 0 DGAERO CCc1csc([C@H]2CCCN(Cc3nc(C4CC4)no3)C2)n1 ZINC000195377499 165369357 /nfs/dbraw/zinc/36/93/57/165369357.db2.gz KIAOFADDXJECAB-LBPRGKRZSA-N 1 0 318.446 3.346 10 0 DGAERO CCCCCNC(=O)CN1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195442903 165370865 /nfs/dbraw/zinc/37/08/65/165370865.db2.gz LUTRFAABODAZCU-AWEZNQCLSA-N 1 0 323.506 3.191 10 0 DGAERO Cc1ccc2nc(C[N@@H+]3CCC[C@H](c4nccs4)C3)cn2c1 ZINC000195442433 165371063 /nfs/dbraw/zinc/37/10/63/165371063.db2.gz LJZJAEVGJDQLGV-AWEZNQCLSA-N 1 0 312.442 3.479 10 0 DGAERO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000230155587 165395048 /nfs/dbraw/zinc/39/50/48/165395048.db2.gz NYCWIZXNXHALQE-RNCFNFMXSA-N 1 0 302.187 3.245 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H]2CCCO[C@H]21 ZINC000245899091 165490122 /nfs/dbraw/zinc/49/01/22/165490122.db2.gz NQMGLHVUBWAOBE-ZTFGCOKTSA-N 1 0 317.429 3.141 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cc1OC ZINC000247962954 165602008 /nfs/dbraw/zinc/60/20/08/165602008.db2.gz GMAFAUQUFQEAQE-DZKIICNBSA-N 1 0 307.434 3.214 10 0 DGAERO Cc1c[nH+]ccc1N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248675116 165643768 /nfs/dbraw/zinc/64/37/68/165643768.db2.gz XTQLFGWQNBSBRY-SOUVJXGZSA-N 1 0 317.433 3.130 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000248725010 165645010 /nfs/dbraw/zinc/64/50/10/165645010.db2.gz MXHSBEBPRNJMDB-IPYPFGDCSA-N 1 0 321.490 3.250 10 0 DGAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000249780956 165685011 /nfs/dbraw/zinc/68/50/11/165685011.db2.gz PNQBNRBEOAUOFH-HBNTYKKESA-N 1 0 300.805 3.433 10 0 DGAERO C[C@H]1CCCN(Cc2ccc(Br)cc2F)[C@H]1C[NH3+] ZINC000251571995 165691430 /nfs/dbraw/zinc/69/14/30/165691430.db2.gz ASAMKTSKYKATQH-HZMBPMFUSA-N 1 0 315.230 3.147 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(Br)c1 ZINC000252728853 165702382 /nfs/dbraw/zinc/70/23/82/165702382.db2.gz DAOVLNSQPPDJTO-DINDLPBHSA-N 1 0 318.280 3.257 10 0 DGAERO Cc1ccc(CCCCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261721410 165740454 /nfs/dbraw/zinc/74/04/54/165740454.db2.gz CKMDZJLOAGWYAR-QGZVFWFLSA-N 1 0 302.462 3.294 10 0 DGAERO CC1(C)CN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000261794166 165750218 /nfs/dbraw/zinc/75/02/18/165750218.db2.gz YCWBVIDKFONASW-ZDUSSCGKSA-N 1 0 304.331 3.404 10 0 DGAERO CC(C)c1ccc(CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261811686 165752098 /nfs/dbraw/zinc/75/20/98/165752098.db2.gz HLEANTCTOGTEJZ-QGZVFWFLSA-N 1 0 302.462 3.328 10 0 DGAERO C[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000261857107 165756371 /nfs/dbraw/zinc/75/63/71/165756371.db2.gz RBKSATJQHVYQFP-JSGCOSHPSA-N 1 0 315.442 3.010 10 0 DGAERO Cc1c2cccc(C)c2oc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261848626 165756622 /nfs/dbraw/zinc/75/66/22/165756622.db2.gz QFGHGXKHYHUFHQ-GASCZTMLSA-N 1 0 312.413 3.121 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc2c(c1)CCCC2 ZINC000261936678 165767521 /nfs/dbraw/zinc/76/75/21/165767521.db2.gz CQKOOMIHYZSART-MORSLUCNSA-N 1 0 300.446 3.118 10 0 DGAERO CCCn1nc(C)c(-c2nc(-c3ccc(C[NH3+])cc3)no2)c1C ZINC000261938612 165767529 /nfs/dbraw/zinc/76/75/29/165767529.db2.gz DLQPVBFIRXYPKR-UHFFFAOYSA-N 1 0 311.389 3.086 10 0 DGAERO C[C@@H](C(=O)N(Cc1ccccc1)C1CCCCC1)C1C[NH2+]C1 ZINC000262031517 165778569 /nfs/dbraw/zinc/77/85/69/165778569.db2.gz FBPNXRPKQOPNDF-OAHLLOKOSA-N 1 0 300.446 3.203 10 0 DGAERO Cc1c2cccc(C)c2oc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262093844 165786899 /nfs/dbraw/zinc/78/68/99/165786899.db2.gz UPQZTTRYIPTCEW-AWEZNQCLSA-N 1 0 300.402 3.249 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262288142 165795979 /nfs/dbraw/zinc/79/59/79/165795979.db2.gz MPRNPXICCATUFB-RPWDUAPESA-N 1 0 312.457 3.190 10 0 DGAERO C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000262331316 165798050 /nfs/dbraw/zinc/79/80/50/165798050.db2.gz SNAWNBGJKOAUEP-VXGBXAGGSA-N 1 0 314.351 3.272 10 0 DGAERO O=C(Nc1ccc(OCC2CC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262485110 165805477 /nfs/dbraw/zinc/80/54/77/165805477.db2.gz TXFANPUJAUSMEM-QGTPRVQTSA-N 1 0 314.429 3.335 10 0 DGAERO c1cc(-c2ccc(C[N@H+]3CC[C@@H](Cc4ccncc4)C3)o2)n[nH]1 ZINC000365528894 287142497 /nfs/dbraw/zinc/14/24/97/287142497.db2.gz NEQAGMADILFCIZ-HNNXBMFYSA-N 1 0 308.385 3.129 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000262920917 165824913 /nfs/dbraw/zinc/82/49/13/165824913.db2.gz ZIZHTUOOECMZQW-TZMCWYRMSA-N 1 0 306.475 3.135 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1OC ZINC000246660599 432152200 /nfs/dbraw/zinc/15/22/00/432152200.db2.gz XOVASWKLFPHPHQ-KGLIPLIRSA-N 1 0 322.836 3.047 10 0 DGAERO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246657348 432152237 /nfs/dbraw/zinc/15/22/37/432152237.db2.gz CXBOHBXYOZWAMC-SJLPKXTDSA-N 1 0 321.486 3.448 10 0 DGAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000181936180 432150913 /nfs/dbraw/zinc/15/09/13/432150913.db2.gz NRYJIZYHIGSVJG-CHWSQXEVSA-N 1 0 310.401 3.252 10 0 DGAERO C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000129417233 196046716 /nfs/dbraw/zinc/04/67/16/196046716.db2.gz QPSWYOQXMVSMKM-GOSISDBHSA-N 1 0 300.377 3.235 10 0 DGAERO C[C@H](CNC(=O)C(C)(C)c1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246732591 432159599 /nfs/dbraw/zinc/15/95/99/432159599.db2.gz HQUXJYXXQUHGMR-ZIAGYGMSSA-N 1 0 308.491 3.262 10 0 DGAERO C[C@H]1CSCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000190460804 432159751 /nfs/dbraw/zinc/15/97/51/432159751.db2.gz DCRCIOOHLJJOGN-CYBMUJFWSA-N 1 0 305.422 3.196 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@@H](O)c3cccc(Cl)c3)C2)c1 ZINC000246739021 432160735 /nfs/dbraw/zinc/16/07/35/432160735.db2.gz NVUKOZYUQXGVDS-DLBZAZTESA-N 1 0 319.836 3.215 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000246748621 432161384 /nfs/dbraw/zinc/16/13/84/432161384.db2.gz ZRUMKBJFHPQBEL-ILZDJORESA-N 1 0 320.436 3.288 10 0 DGAERO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000246742354 432161401 /nfs/dbraw/zinc/16/14/01/432161401.db2.gz GGSFVECKBZQPQM-NXHRZFHOSA-N 1 0 302.462 3.367 10 0 DGAERO Cc1cccc(NC[C@@H]2CC[N@H+](CCOc3ccccc3)C2)n1 ZINC000171652698 432156512 /nfs/dbraw/zinc/15/65/12/432156512.db2.gz JIMFKVLJHQDJNA-KRWDZBQOSA-N 1 0 311.429 3.203 10 0 DGAERO CCSc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000246707706 432157530 /nfs/dbraw/zinc/15/75/30/432157530.db2.gz WTCYMJTUTCTASJ-AEGPPILISA-N 1 0 306.475 3.493 10 0 DGAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000171678801 432158532 /nfs/dbraw/zinc/15/85/32/432158532.db2.gz LRBGNYCFXUTPCV-GJZGRUSLSA-N 1 0 321.490 3.469 10 0 DGAERO CCCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCc2ccccc2C1 ZINC000246729349 432159213 /nfs/dbraw/zinc/15/92/13/432159213.db2.gz YEICWHMURJJFDJ-GUDVDZBRSA-N 1 0 314.473 3.300 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246760904 432162344 /nfs/dbraw/zinc/16/23/44/432162344.db2.gz DNTLJKLTQTTZCS-JSGCOSHPSA-N 1 0 323.412 3.171 10 0 DGAERO CCc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000129533653 196055853 /nfs/dbraw/zinc/05/58/53/196055853.db2.gz XOJFLAICQNIVNT-MAUKXSAKSA-N 1 0 317.477 3.121 10 0 DGAERO CCCC[N@H+](CCCO)Cc1nc(-c2cccc(C)c2)no1 ZINC000182162156 432162666 /nfs/dbraw/zinc/16/26/66/432162666.db2.gz LQMUOBKHUDDLGF-UHFFFAOYSA-N 1 0 303.406 3.030 10 0 DGAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000190489721 432162715 /nfs/dbraw/zinc/16/27/15/432162715.db2.gz ITIUOEIEZNBTDG-IBGZPJMESA-N 1 0 301.478 3.416 10 0 DGAERO CC(C)Oc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246789017 432164128 /nfs/dbraw/zinc/16/41/28/432164128.db2.gz IRDOEAXSWRAVCB-SJORKVTESA-N 1 0 307.459 3.180 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000246775662 432165109 /nfs/dbraw/zinc/16/51/09/432165109.db2.gz CFUAXBXQWLCTCN-ZTFGCOKTSA-N 1 0 315.461 3.166 10 0 DGAERO O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171716519 432165224 /nfs/dbraw/zinc/16/52/24/432165224.db2.gz HWNPFVXYDLBOLR-HSALFYBXSA-N 1 0 320.436 3.250 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000246776552 432165613 /nfs/dbraw/zinc/16/56/13/432165613.db2.gz CHEYDJWKWAHWPM-WMLDXEAASA-N 1 0 318.436 3.092 10 0 DGAERO CC1CC[NH+](CCN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000246804469 432165936 /nfs/dbraw/zinc/16/59/36/432165936.db2.gz RSAFLRIPJYFPFD-QFBILLFUSA-N 1 0 320.452 3.319 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCSc2ccc(F)cc2)C1 ZINC000246802757 432167292 /nfs/dbraw/zinc/16/72/92/432167292.db2.gz DBOYQPPSJJJINE-XJKSGUPXSA-N 1 0 324.465 3.153 10 0 DGAERO FC(F)(F)c1ccccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246822086 432167732 /nfs/dbraw/zinc/16/77/32/432167732.db2.gz JWIZCMOABLMOCY-ZIAGYGMSSA-N 1 0 317.376 3.412 10 0 DGAERO O=C(CCCCCc1cccs1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171744921 432169201 /nfs/dbraw/zinc/16/92/01/432169201.db2.gz LIOLROOWEBMMHY-HNNXBMFYSA-N 1 0 306.475 3.158 10 0 DGAERO CC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)[C@@H]1CCCO1 ZINC000182234626 432170120 /nfs/dbraw/zinc/17/01/20/432170120.db2.gz MEJQUMAATOSIPJ-QEJZJMRPSA-N 1 0 301.390 3.345 10 0 DGAERO CCc1nnc(CN2CCc3ccc(C(C)(C)C)cc3C2)n1C ZINC000182247503 432170592 /nfs/dbraw/zinc/17/05/92/432170592.db2.gz BFDKMADMVTWYPY-UHFFFAOYSA-N 1 0 312.461 3.233 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)cc1Cl ZINC000246877160 432176901 /nfs/dbraw/zinc/17/69/01/432176901.db2.gz CMMXHUAWTRXPDF-JQWIXIFHSA-N 1 0 311.788 3.180 10 0 DGAERO CCOCc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246888997 432177505 /nfs/dbraw/zinc/17/75/05/432177505.db2.gz WZXXIXJWJQEZFE-YOEHRIQHSA-N 1 0 319.449 3.170 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCC[C@H](C)C(C)=O ZINC000246895781 432178160 /nfs/dbraw/zinc/17/81/60/432178160.db2.gz JGUUMEZAQLCQOA-DOTOQJQBSA-N 1 0 310.482 3.153 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2noc(C3CCCCC3)n2)[C@@H](C)C1 ZINC000246893821 432178254 /nfs/dbraw/zinc/17/82/54/432178254.db2.gz RCZOVTYCPYLAQE-HOCLYGCPSA-N 1 0 320.481 3.279 10 0 DGAERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000190646905 432178772 /nfs/dbraw/zinc/17/87/72/432178772.db2.gz WIDLBKMOKZLVJG-NSHDSACASA-N 1 0 319.323 3.389 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000137597707 432179704 /nfs/dbraw/zinc/17/97/04/432179704.db2.gz DNWQAPQMXGKCGK-INIZCTEOSA-N 1 0 301.409 3.464 10 0 DGAERO C[C@H](CC1CC1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171852503 432179731 /nfs/dbraw/zinc/17/97/31/432179731.db2.gz IXKVHOYVTRBFHW-CQSZACIVSA-N 1 0 307.482 3.129 10 0 DGAERO CCn1c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)nc2cc(F)ccc21 ZINC000246923152 432181903 /nfs/dbraw/zinc/18/19/03/432181903.db2.gz WHLYBOMRZVZAPR-GUYCJALGSA-N 1 0 317.408 3.196 10 0 DGAERO CCc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1F ZINC000246856409 432174105 /nfs/dbraw/zinc/17/41/05/432174105.db2.gz SHIXWOADFFAWRX-DOMZBBRYSA-N 1 0 305.397 3.089 10 0 DGAERO CN(C)[C@@H](C(=O)NCCCc1cccc(F)c1)c1ccccc1 ZINC000171938262 432183824 /nfs/dbraw/zinc/18/38/24/432183824.db2.gz AJVYGWZKDARWQY-GOSISDBHSA-N 1 0 314.404 3.177 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000139607532 432184934 /nfs/dbraw/zinc/18/49/34/432184934.db2.gz BDKDKBDRBIJCDN-JKSUJKDBSA-N 1 0 303.450 3.167 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000246977429 432187355 /nfs/dbraw/zinc/18/73/55/432187355.db2.gz QYAPNRBHTHBECT-JQHSSLGASA-N 1 0 306.494 3.393 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000150739937 432187905 /nfs/dbraw/zinc/18/79/05/432187905.db2.gz IVUKZJMUAHCILO-KRWDZBQOSA-N 1 0 302.418 3.482 10 0 DGAERO CC[C@@H]1CCCCCN1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000150769906 432189926 /nfs/dbraw/zinc/18/99/26/432189926.db2.gz ZTSRLBQBBNIENK-IAGOWNOFSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc2ccccc21 ZINC000171898052 432182748 /nfs/dbraw/zinc/18/27/48/432182748.db2.gz FMXYUYCCWOUCSE-NVXWUHKLSA-N 1 0 323.440 3.390 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)c1cccs1 ZINC000246941901 432183221 /nfs/dbraw/zinc/18/32/21/432183221.db2.gz XPVIFYGVKJWWCE-KBPBESRZSA-N 1 0 308.491 3.262 10 0 DGAERO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)C2CCCC2)c1C ZINC000172168303 432200012 /nfs/dbraw/zinc/20/00/12/432200012.db2.gz KXMFQFJARODKPQ-AAEUAGOBSA-N 1 0 320.433 3.158 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000247033323 432193385 /nfs/dbraw/zinc/19/33/85/432193385.db2.gz NREBNEKLXBIUEE-CABCVRRESA-N 1 0 305.422 3.001 10 0 DGAERO CCCOc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)c1 ZINC000247071732 432200096 /nfs/dbraw/zinc/20/00/96/432200096.db2.gz YHZRNHQUPXRGAD-IAGOWNOFSA-N 1 0 316.445 3.174 10 0 DGAERO C[C@H](CCc1ccccc1F)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247043340 432196390 /nfs/dbraw/zinc/19/63/90/432196390.db2.gz YARSKFRFPQBRRT-HLLBOEOZSA-N 1 0 318.436 3.090 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000247045762 432196642 /nfs/dbraw/zinc/19/66/42/432196642.db2.gz IEJMXYKMCMWMGE-CKEIUWERSA-N 1 0 321.440 3.257 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1sc(C)nc1C ZINC000247093695 432202226 /nfs/dbraw/zinc/20/22/26/432202226.db2.gz XQMAQPJNFUFLKB-MJBXVCDLSA-N 1 0 308.447 3.066 10 0 DGAERO CCC(C)(C)[C@H]1CCC[N@@H+]1CCCCCS(=O)(=O)CC ZINC000190925539 432202225 /nfs/dbraw/zinc/20/22/25/432202225.db2.gz MBEFAOJXNBPPHS-OAHLLOKOSA-N 1 0 303.512 3.492 10 0 DGAERO CCc1onc(C)c1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000130723404 196104256 /nfs/dbraw/zinc/10/42/56/196104256.db2.gz HHBUBQKSUQFMQT-ZIAGYGMSSA-N 1 0 321.465 3.033 10 0 DGAERO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000182596492 432208223 /nfs/dbraw/zinc/20/82/23/432208223.db2.gz DVXHWJNUUVQWEU-ZDUSSCGKSA-N 1 0 302.374 3.276 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000190995939 432208746 /nfs/dbraw/zinc/20/87/46/432208746.db2.gz UNOOPRKUYZURTO-BXUZGUMPSA-N 1 0 314.351 3.148 10 0 DGAERO CCCC[C@H](CC)CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000247190707 432208814 /nfs/dbraw/zinc/20/88/14/432208814.db2.gz SMEPDOFZNVLMLM-IRXDYDNUSA-N 1 0 324.509 3.305 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)cc1OC ZINC000247174505 432209124 /nfs/dbraw/zinc/20/91/24/432209124.db2.gz UULUYEUWQNCWSP-IJEWVQPXSA-N 1 0 306.450 3.083 10 0 DGAERO C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000247186322 432209545 /nfs/dbraw/zinc/20/95/45/432209545.db2.gz VMRBKCSDMDGCEB-IAGOWNOFSA-N 1 0 312.461 3.397 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000247213419 432210472 /nfs/dbraw/zinc/21/04/72/432210472.db2.gz MAGYFQLQGNPSDR-VDNDLQMASA-N 1 0 318.848 3.139 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000182623313 432212166 /nfs/dbraw/zinc/21/21/66/432212166.db2.gz MKOWSRGJIXVBIL-MRXNPFEDSA-N 1 0 303.402 3.055 10 0 DGAERO Fc1cccc(F)c1CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000182649632 432212955 /nfs/dbraw/zinc/21/29/55/432212955.db2.gz HNQAYCAWINTXKP-LBPRGKRZSA-N 1 0 318.371 3.271 10 0 DGAERO CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CC)[C@H](C)c1cccnc1 ZINC000247218579 432213353 /nfs/dbraw/zinc/21/33/53/432213353.db2.gz MXSRPCWARCINLQ-WBVHZDCISA-N 1 0 318.465 3.049 10 0 DGAERO Brc1cccc2c1C[N@H+](CCc1ccccn1)CC2 ZINC000172405285 432213746 /nfs/dbraw/zinc/21/37/46/432213746.db2.gz DURQPZMAYBKQHY-UHFFFAOYSA-N 1 0 317.230 3.445 10 0 DGAERO COc1ccc(C[N@@H+]2CCS[C@@H](C)C2)cc1OC(F)F ZINC000131371339 196163020 /nfs/dbraw/zinc/16/30/20/196163020.db2.gz VLAHDYXZAZLBHQ-JTQLQIEISA-N 1 0 303.374 3.234 10 0 DGAERO Cc1ccc(OCCC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1C ZINC000247146283 432204828 /nfs/dbraw/zinc/20/48/28/432204828.db2.gz ZZFBPCWXSZNPEI-ROUUACIJSA-N 1 0 304.478 3.487 10 0 DGAERO CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000182559178 432205911 /nfs/dbraw/zinc/20/59/11/432205911.db2.gz XJHICCICNZIFBV-JKSUJKDBSA-N 1 0 317.477 3.449 10 0 DGAERO Cc1ccc(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000247373068 432225764 /nfs/dbraw/zinc/22/57/64/432225764.db2.gz KYTIBGQRTPLCOZ-DLBZAZTESA-N 1 0 318.461 3.013 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000191138901 432225796 /nfs/dbraw/zinc/22/57/96/432225796.db2.gz UBSHUYZLUIESJW-RYUDHWBXSA-N 1 0 304.365 3.214 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247402620 432227064 /nfs/dbraw/zinc/22/70/64/432227064.db2.gz XNPQYVZBWFKYGC-HUUCEWRRSA-N 1 0 317.433 3.094 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000191067204 432216734 /nfs/dbraw/zinc/21/67/34/432216734.db2.gz JLAFUBLPHLDFRW-RDJZCZTQSA-N 1 0 300.450 3.345 10 0 DGAERO C[C@@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1nccn1C ZINC000182677878 432216895 /nfs/dbraw/zinc/21/68/95/432216895.db2.gz HJSFILWISUJUIF-AEFFLSMTSA-N 1 0 312.461 3.125 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(C3CCC3)n2C)C1(CC)CC ZINC000191073332 432217514 /nfs/dbraw/zinc/21/75/14/432217514.db2.gz VVMBEZGBLLPPQQ-HUUCEWRRSA-N 1 0 320.481 3.156 10 0 DGAERO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000191067283 432218111 /nfs/dbraw/zinc/21/81/11/432218111.db2.gz KJTAGQZKPFMKMX-AEFFLSMTSA-N 1 0 314.477 3.370 10 0 DGAERO COc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247283985 432218216 /nfs/dbraw/zinc/21/82/16/432218216.db2.gz YSUWURWXPDGAPQ-MAUKXSAKSA-N 1 0 300.446 3.144 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(C(C)C)n2C)C1(CC)CC ZINC000191071385 432218200 /nfs/dbraw/zinc/21/82/00/432218200.db2.gz PCVAGHYQDAGPKU-UONOGXRCSA-N 1 0 308.470 3.012 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000151104489 432218746 /nfs/dbraw/zinc/21/87/46/432218746.db2.gz CCTSMYJYSXRKMM-AEFFLSMTSA-N 1 0 314.473 3.244 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247288546 432219051 /nfs/dbraw/zinc/21/90/51/432219051.db2.gz GSPVAWVXBSGEKQ-OCCSQVGLSA-N 1 0 307.825 3.349 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)[C@@H](C)c2cccs2)C1 ZINC000247271000 432219299 /nfs/dbraw/zinc/21/92/99/432219299.db2.gz JWYUSSATXRQKPQ-HZSPNIEDSA-N 1 0 309.479 3.179 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000247296783 432220346 /nfs/dbraw/zinc/22/03/46/432220346.db2.gz GSJIIWAITTXZPH-VDNDLQMASA-N 1 0 320.864 3.385 10 0 DGAERO Cc1ccccc1SCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247296558 432220525 /nfs/dbraw/zinc/22/05/25/432220525.db2.gz GSABPZYIJRIRBC-LSDHHAIUSA-N 1 0 306.475 3.028 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172580728 432220784 /nfs/dbraw/zinc/22/07/84/432220784.db2.gz NYHMQSVNFOUBEG-AWEZNQCLSA-N 1 0 320.481 3.378 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1c(F)cccc1F ZINC000247312604 432221475 /nfs/dbraw/zinc/22/14/75/432221475.db2.gz IISCFCYNJZEBFW-RYUDHWBXSA-N 1 0 309.360 3.055 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247312654 432222184 /nfs/dbraw/zinc/22/21/84/432222184.db2.gz HOTYJVQITXKZPZ-WMZOPIPTSA-N 1 0 302.462 3.259 10 0 DGAERO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000247333335 432223254 /nfs/dbraw/zinc/22/32/54/432223254.db2.gz NCCGQWHAJWSFAS-NJAFHUGGSA-N 1 0 302.462 3.271 10 0 DGAERO CCCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247342708 432223627 /nfs/dbraw/zinc/22/36/27/432223627.db2.gz JGLVXKGLMHVQAF-DOTOQJQBSA-N 1 0 318.461 3.420 10 0 DGAERO Cc1ccc2cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c2n1 ZINC000132019694 196219596 /nfs/dbraw/zinc/21/95/96/196219596.db2.gz JNQWFJQZRVPMAJ-MRXNPFEDSA-N 1 0 313.445 3.249 10 0 DGAERO COCCCOC1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000132387551 196251924 /nfs/dbraw/zinc/25/19/24/196251924.db2.gz WPAROURVLKJUDK-KRWDZBQOSA-N 1 0 305.462 3.383 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(SC(=O)N(C)C)cc1)[NH+](C)C ZINC000132914771 196295919 /nfs/dbraw/zinc/29/59/19/196295919.db2.gz LHPSVERHORYBDC-CQSZACIVSA-N 1 0 323.462 3.129 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000133002132 196304047 /nfs/dbraw/zinc/30/40/47/196304047.db2.gz JEAXBQVORTXHTD-GJZGRUSLSA-N 1 0 306.450 3.147 10 0 DGAERO CN1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CCC1=O ZINC000133024725 196306410 /nfs/dbraw/zinc/30/64/10/196306410.db2.gz SXONPVKFGZFQDZ-IEBWSBKVSA-N 1 0 312.388 3.126 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C)cc1C)c1nccs1 ZINC000134237741 196372336 /nfs/dbraw/zinc/37/23/36/196372336.db2.gz XLOWKIZBCBBCAQ-CABCVRRESA-N 1 0 320.458 3.241 10 0 DGAERO COCCOc1ccccc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136696384 196548411 /nfs/dbraw/zinc/54/84/11/196548411.db2.gz GHARXQDXFXYIHR-KRWDZBQOSA-N 1 0 319.445 3.293 10 0 DGAERO CC[C@@H]1C[C@H](CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)CCO1 ZINC000261908885 287303601 /nfs/dbraw/zinc/30/36/01/287303601.db2.gz XHUQIVIKXOFFDZ-OLMNPRSZSA-N 1 0 322.880 3.492 10 0 DGAERO Cc1ccccc1C1(C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000171131922 292626902 /nfs/dbraw/zinc/62/69/02/292626902.db2.gz HGDBYOLZPVBRLL-UHFFFAOYSA-N 1 0 312.457 3.113 10 0 DGAERO C[C@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000176339802 228312370 /nfs/dbraw/zinc/31/23/70/228312370.db2.gz QWINNVOSCMUMPU-JTQLQIEISA-N 1 0 300.855 3.058 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177184830 228327114 /nfs/dbraw/zinc/32/71/14/228327114.db2.gz RJXAGAGOWCBAKM-WBVHZDCISA-N 1 0 300.446 3.059 10 0 DGAERO C[C@H](C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1)c1ccccc1 ZINC000177406147 228330624 /nfs/dbraw/zinc/33/06/24/228330624.db2.gz QAKBHDVNVVWARO-FZKQIMNGSA-N 1 0 316.832 3.434 10 0 DGAERO C[C@H](Cc1cccs1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178623024 228344384 /nfs/dbraw/zinc/34/43/84/228344384.db2.gz QYCMAAYSPBTIGO-WLYUNCDWSA-N 1 0 323.506 3.099 10 0 DGAERO C[C@H]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000188224160 228454069 /nfs/dbraw/zinc/45/40/69/228454069.db2.gz ZCHHWAXSFIYQDD-SOEBMCCKSA-N 1 0 309.498 3.375 10 0 DGAERO Oc1cccc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)c1 ZINC000191107469 228520286 /nfs/dbraw/zinc/52/02/86/228520286.db2.gz PVFJKUVYYQEHGG-UHFFFAOYSA-N 1 0 316.832 3.194 10 0 DGAERO Cc1cccc(NC[C@H]2CCN(c3nc(C4CC4)ns3)C2)[nH+]1 ZINC000301530316 229724280 /nfs/dbraw/zinc/72/42/80/229724280.db2.gz RNNUFYONZUKSEZ-GFCCVEGCSA-N 1 0 315.446 3.057 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000131080415 292646633 /nfs/dbraw/zinc/64/66/33/292646633.db2.gz HQKTVGBTKJGSJF-AWEZNQCLSA-N 1 0 303.837 3.462 10 0 DGAERO Cc1cccc2c(N[C@@H]3CCCN(c4cnn(C)c4)C3)cc[nH+]c12 ZINC000301676046 229817800 /nfs/dbraw/zinc/81/78/00/229817800.db2.gz QADBXBHNXBSJHK-OAHLLOKOSA-N 1 0 321.428 3.358 10 0 DGAERO Cc1noc(-c2cccnc2N[C@@H](C)C[NH+]2CCCCCC2)n1 ZINC000302476448 230260897 /nfs/dbraw/zinc/26/08/97/230260897.db2.gz XKLGWEKSJQNAAQ-ZDUSSCGKSA-N 1 0 315.421 3.116 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(OC(F)(F)F)cn2)C1 ZINC000302574145 230303515 /nfs/dbraw/zinc/30/35/15/230303515.db2.gz QLSGTWPHSSGRLL-WDEREUQCSA-N 1 0 303.328 3.265 10 0 DGAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000467365450 274076149 /nfs/dbraw/zinc/07/61/49/274076149.db2.gz JHKCXZDRFJUVHA-FIXISWKDSA-N 1 0 312.251 3.319 10 0 DGAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)c2cccs2)c1 ZINC000037890097 263515328 /nfs/dbraw/zinc/51/53/28/263515328.db2.gz ZROQDAWLQKNSOH-LSDHHAIUSA-N 1 0 305.443 3.455 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(C)cc2C)C12CCOCC2 ZINC000186279202 263653572 /nfs/dbraw/zinc/65/35/72/263653572.db2.gz LPAOFMRKFRBTOB-RTBURBONSA-N 1 0 317.473 3.410 10 0 DGAERO Clc1cccc2c1CCN(CC[NH2+][C@@H]1CCCSC1)C2 ZINC000188006823 263686219 /nfs/dbraw/zinc/68/62/19/263686219.db2.gz KNCICIJRXZIGKL-CQSZACIVSA-N 1 0 310.894 3.183 10 0 DGAERO O[C@@H](C[N@@H+]1CCCN(c2ccccc2)CC1)C1CCCCC1 ZINC000191312481 263752244 /nfs/dbraw/zinc/75/22/44/263752244.db2.gz CQMFOPKDNVRIOS-IBGZPJMESA-N 1 0 302.462 3.140 10 0 DGAERO Cc1cc(C)n2c(C[NH2+]C34CC5CC(CC(C5)C3)C4)cnc2n1 ZINC000191441974 263755361 /nfs/dbraw/zinc/75/53/61/263755361.db2.gz DSQFRFXGKVNVOZ-UHFFFAOYSA-N 1 0 310.445 3.405 10 0 DGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000227973931 263840599 /nfs/dbraw/zinc/84/05/99/263840599.db2.gz BGLAHDRJOLDBQM-PVAVHDDUSA-N 1 0 311.491 3.430 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC[C@@H]1CCOC1)CCC2 ZINC000346873529 264112458 /nfs/dbraw/zinc/11/24/58/264112458.db2.gz OMCUAKZBBMIQPC-KDOFPFPSSA-N 1 0 301.430 3.405 10 0 DGAERO c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@H]1CCCCO1 ZINC000347499961 264231495 /nfs/dbraw/zinc/23/14/95/264231495.db2.gz VTIKMJOYLMSMKR-IAGOWNOFSA-N 1 0 313.445 3.460 10 0 DGAERO c1ccc2c(c1)CC[C@@]21C[N@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000347502445 264231571 /nfs/dbraw/zinc/23/15/71/264231571.db2.gz ZMESSSVCPFNALJ-PKOBYXMFSA-N 1 0 301.430 3.120 10 0 DGAERO c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@H]1COc2ccccc2O1 ZINC000347919685 264305623 /nfs/dbraw/zinc/30/56/23/264305623.db2.gz KHNNBZITGBYSCX-WMLDXEAASA-N 1 0 310.397 3.363 10 0 DGAERO C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CC1(C)C ZINC000352604788 265101032 /nfs/dbraw/zinc/10/10/32/265101032.db2.gz CARIBBCHQNSLQV-ZYHUDNBSSA-N 1 0 300.244 3.060 10 0 DGAERO c1cc2c(cc1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)OCCO2 ZINC000353280617 265373515 /nfs/dbraw/zinc/37/35/15/265373515.db2.gz VYVMVDFCTRJHLV-BRWVUGGUSA-N 1 0 317.429 3.143 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000354076962 265653746 /nfs/dbraw/zinc/65/37/46/265653746.db2.gz AZFTUAGAXVCFOE-KGLIPLIRSA-N 1 0 315.442 3.064 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000247449966 432230381 /nfs/dbraw/zinc/23/03/81/432230381.db2.gz YYXVMFGZOPFTDJ-GVDBMIGSSA-N 1 0 305.462 3.349 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ncsc3c2)[C@@H](C)C1 ZINC000247466708 432231645 /nfs/dbraw/zinc/23/16/45/432231645.db2.gz RNUNUBFTLQDOLW-WFASDCNBSA-N 1 0 317.458 3.099 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ncccc3c2)[C@@H](C)C1 ZINC000247466319 432232310 /nfs/dbraw/zinc/23/23/10/432232310.db2.gz RLUOJZGEJLIRBV-KBXCAEBGSA-N 1 0 311.429 3.037 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000355227961 266007162 /nfs/dbraw/zinc/00/71/62/266007162.db2.gz VIIZEQXXZUQMCL-LZWOXQAQSA-N 1 0 322.474 3.243 10 0 DGAERO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355243243 266014179 /nfs/dbraw/zinc/01/41/79/266014179.db2.gz WLUSMKWDFOVIIP-QZTJIDSGSA-N 1 0 311.429 3.121 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC000247482794 432233363 /nfs/dbraw/zinc/23/33/63/432233363.db2.gz WGSUZSGMOFPQCK-JKIFEVAISA-N 1 0 306.425 3.164 10 0 DGAERO CC(C)(C)[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000247475798 432233403 /nfs/dbraw/zinc/23/34/03/432233403.db2.gz IFCBJMUZHAESJZ-DZGCQCFKSA-N 1 0 321.490 3.325 10 0 DGAERO COc1ccccc1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247483102 432233954 /nfs/dbraw/zinc/23/39/54/432233954.db2.gz WIECCECWRYVLHZ-HLLBOEOZSA-N 1 0 318.461 3.034 10 0 DGAERO C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(F)cc1F ZINC000151311059 432236853 /nfs/dbraw/zinc/23/68/53/432236853.db2.gz OONQLWPECKALPC-VNHYZAJKSA-N 1 0 322.399 3.154 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000247497367 432236144 /nfs/dbraw/zinc/23/61/44/432236144.db2.gz WUFDJHOBAZDKMO-ZACQAIPSSA-N 1 0 309.498 3.471 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C(F)F)c2)[C@@H](C)C1 ZINC000247515990 432237859 /nfs/dbraw/zinc/23/78/59/432237859.db2.gz WBLSFABNWPHNIY-SWLSCSKDSA-N 1 0 310.388 3.427 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000247513424 432238019 /nfs/dbraw/zinc/23/80/19/432238019.db2.gz WBULMXDICDNMTQ-JQWIXIFHSA-N 1 0 313.228 3.302 10 0 DGAERO O=C(N[C@@H](c1ccccc1)C1CCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247507662 432238472 /nfs/dbraw/zinc/23/84/72/432238472.db2.gz OXYAPISTHSNIFU-ROUUACIJSA-N 1 0 313.445 3.017 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000247548227 432239918 /nfs/dbraw/zinc/23/99/18/432239918.db2.gz RXJMTKIUQZGKNN-HOTGVXAUSA-N 1 0 319.449 3.247 10 0 DGAERO Cc1cc2oc(=O)cc(C[NH+]3[C@H](C)CC(O)C[C@H]3C)c2cc1C ZINC000191258468 432240072 /nfs/dbraw/zinc/24/00/72/432240072.db2.gz BWCXMVVLEAXJJV-ZIAGYGMSSA-N 1 0 315.413 3.144 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000191262138 432241266 /nfs/dbraw/zinc/24/12/66/432241266.db2.gz DHFJWJGZLDHTLC-VXGBXAGGSA-N 1 0 317.351 3.361 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC[N@@H+]1C ZINC000247565476 432241922 /nfs/dbraw/zinc/24/19/22/432241922.db2.gz ZYRDHLRQKYJJSX-MQYQWHSLSA-N 1 0 322.399 3.009 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC[N@@H+]1C ZINC000247565478 432242235 /nfs/dbraw/zinc/24/22/35/432242235.db2.gz ZYRDHLRQKYJJSX-SYQHCUMBSA-N 1 0 322.399 3.009 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)N1CCc2ccccc2C1 ZINC000172870554 432242829 /nfs/dbraw/zinc/24/28/29/432242829.db2.gz AKLRROZKZUFGMW-UONOGXRCSA-N 1 0 314.454 3.372 10 0 DGAERO CC(C)C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000247654698 432245182 /nfs/dbraw/zinc/24/51/82/432245182.db2.gz XWZFPDDPIGHENL-ROUUACIJSA-N 1 0 315.461 3.263 10 0 DGAERO C[C@H](CCc1ccccc1F)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000172921144 432245240 /nfs/dbraw/zinc/24/52/40/432245240.db2.gz XDMRDXUQRKAMDI-OAHLLOKOSA-N 1 0 318.436 3.091 10 0 DGAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000172933162 432246097 /nfs/dbraw/zinc/24/60/97/432246097.db2.gz RXKWXZBKXWTZNQ-ZIAGYGMSSA-N 1 0 321.440 3.005 10 0 DGAERO C[N@H+]([C@@H]1CCCN(c2cccnn2)C1)[C@H]1CCCc2ccccc21 ZINC000247741370 432249073 /nfs/dbraw/zinc/24/90/73/432249073.db2.gz NSWOPZYVZFGTQF-MJGOQNOKSA-N 1 0 322.456 3.455 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC000367611094 271051093 /nfs/dbraw/zinc/05/10/93/271051093.db2.gz AATCUJUIPIAYFV-GOSISDBHSA-N 1 0 310.445 3.173 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cnc(C3CCCC3)s1)CC2 ZINC000368080378 271131204 /nfs/dbraw/zinc/13/12/04/271131204.db2.gz BWPMAXYHEASZBD-LBPRGKRZSA-N 1 0 302.447 3.171 10 0 DGAERO c1cc([C@@H]2CCC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)ncn1 ZINC000369175381 271248119 /nfs/dbraw/zinc/24/81/19/271248119.db2.gz VXBWMYKQPKGKAL-GOSISDBHSA-N 1 0 323.440 3.224 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000370486516 271363737 /nfs/dbraw/zinc/36/37/37/271363737.db2.gz YHKZRCGLZLQDJT-IXYNUQLISA-N 1 0 303.450 3.407 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCCOc1ccc(F)cc1)CC2 ZINC000247882110 432253056 /nfs/dbraw/zinc/25/30/56/432253056.db2.gz BWCSJNGNRIZBQN-MAUKXSAKSA-N 1 0 307.409 3.222 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@H]2CCCc3sccc32)cn1 ZINC000151524638 432253808 /nfs/dbraw/zinc/25/38/08/432253808.db2.gz ABBYKRZBZXFCKK-HNNXBMFYSA-N 1 0 310.426 3.496 10 0 DGAERO C[C@@]1(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CCCO1 ZINC000270530674 432254910 /nfs/dbraw/zinc/25/49/10/432254910.db2.gz VLUGJXPXGJVMFO-IBGZPJMESA-N 1 0 323.396 3.109 10 0 DGAERO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC000247944218 432255126 /nfs/dbraw/zinc/25/51/26/432255126.db2.gz GYHCYACKEKEKCU-QFBILLFUSA-N 1 0 301.478 3.462 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1 ZINC000247962219 432255666 /nfs/dbraw/zinc/25/56/66/432255666.db2.gz CZXKMQGTINRYQR-IAGOWNOFSA-N 1 0 316.351 3.140 10 0 DGAERO CN(C[C@@H]1CCCC[NH2+]1)c1ncc(C(F)(F)F)cc1Cl ZINC000095070792 273845168 /nfs/dbraw/zinc/84/51/68/273845168.db2.gz MAVYYXXSCWRRPZ-JTQLQIEISA-N 1 0 307.747 3.332 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1nccn1C ZINC000183100995 432258122 /nfs/dbraw/zinc/25/81/22/432258122.db2.gz PWOVGFHMIOYMPK-SWLSCSKDSA-N 1 0 320.387 3.018 10 0 DGAERO C[C@@H]1CCC[C@@H](C)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000255848271 274293667 /nfs/dbraw/zinc/29/36/67/274293667.db2.gz VTUFOAOJYYWQSU-DQIHPLBOSA-N 1 0 307.482 3.222 10 0 DGAERO C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)[C@H](C[NH3+])C1 ZINC000261840215 274299450 /nfs/dbraw/zinc/29/94/50/274299450.db2.gz PLFXUUYFENFVTG-DOMZBBRYSA-N 1 0 316.376 3.285 10 0 DGAERO Cc1cc2sc(NC(=O)N[C@H]3CCCC[NH2+]C3)nc2cc1F ZINC000333271931 274730813 /nfs/dbraw/zinc/73/08/13/274730813.db2.gz GFDREBOAPOLKOT-JTQLQIEISA-N 1 0 322.409 3.007 10 0 DGAERO Fc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1Cl ZINC000162032987 274911392 /nfs/dbraw/zinc/91/13/92/274911392.db2.gz BVDGQFNQVBNQNI-ZDUSSCGKSA-N 1 0 320.799 3.028 10 0 DGAERO NC(=O)C1([NH2+]C(CCc2ccccc2)CCc2ccccc2)CC1 ZINC000483309672 274933674 /nfs/dbraw/zinc/93/36/74/274933674.db2.gz ULMTZSWEKBQYFW-UHFFFAOYSA-N 1 0 322.452 3.228 10 0 DGAERO COc1cccc(CCC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000247988731 432259921 /nfs/dbraw/zinc/25/99/21/432259921.db2.gz JBUPQKNCGGQAIW-HKUYNNGSSA-N 1 0 303.446 3.255 10 0 DGAERO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000330147366 275045176 /nfs/dbraw/zinc/04/51/76/275045176.db2.gz IQGYZWRNQMODMR-WBVHZDCISA-N 1 0 310.401 3.123 10 0 DGAERO O[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000133475753 275059899 /nfs/dbraw/zinc/05/98/99/275059899.db2.gz FOUKKUZUQKXSKG-UONOGXRCSA-N 1 0 303.299 3.202 10 0 DGAERO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128753215 275517434 /nfs/dbraw/zinc/51/74/34/275517434.db2.gz JCIFZCQYPVCEQL-CABCVRRESA-N 1 0 307.438 3.078 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261990220 275535959 /nfs/dbraw/zinc/53/59/59/275535959.db2.gz SPSLXJYTWZRRJX-QRVBRYPASA-N 1 0 316.489 3.231 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC[C@H]21 ZINC000247998976 432260666 /nfs/dbraw/zinc/26/06/66/432260666.db2.gz KFDWREQWRBGSBL-QFBILLFUSA-N 1 0 323.440 3.238 10 0 DGAERO CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000236685892 275602787 /nfs/dbraw/zinc/60/27/87/275602787.db2.gz XAZLYEYLNALCCT-QFBILLFUSA-N 1 0 302.462 3.376 10 0 DGAERO CC(C)N(C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21)C(C)C ZINC000192366921 275605768 /nfs/dbraw/zinc/60/57/68/275605768.db2.gz WMXOBRRNEAMBLW-INIZCTEOSA-N 1 0 304.434 3.005 10 0 DGAERO CC1(C)CN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)CC[C@H]1[NH3+] ZINC000262143620 275842737 /nfs/dbraw/zinc/84/27/37/275842737.db2.gz XHCCEJRYVILTMZ-LJQANCHMSA-N 1 0 320.436 3.457 10 0 DGAERO CCCN(Cc1sc(C)nc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000262179795 276003354 /nfs/dbraw/zinc/00/33/54/276003354.db2.gz WOPBSJZOHWXPTC-UHFFFAOYSA-N 1 0 321.412 3.434 10 0 DGAERO CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000057824848 276078416 /nfs/dbraw/zinc/07/84/16/276078416.db2.gz IXNCLMDMVSJYAN-MJGOQNOKSA-N 1 0 324.424 3.319 10 0 DGAERO CC1(C)OCc2cc(CN3CC[N@@H+]4CCCC[C@@H]4C3)ccc2O1 ZINC000186664399 276157131 /nfs/dbraw/zinc/15/71/31/276157131.db2.gz VLNHFBDUFMUZAT-QGZVFWFLSA-N 1 0 316.445 3.002 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167101223 276178904 /nfs/dbraw/zinc/17/89/04/276178904.db2.gz FMIGICUMUWYXIE-ZDUSSCGKSA-N 1 0 304.331 3.418 10 0 DGAERO CCC[N@@H+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCCCO1 ZINC000111229955 276255494 /nfs/dbraw/zinc/25/54/94/276255494.db2.gz MUFCFQHPMGWIIK-KRWDZBQOSA-N 1 0 314.429 3.309 10 0 DGAERO CC[C@H](C(=O)N[C@H]1CCCOc2c(Cl)cccc21)[NH+](C)C ZINC000179759589 276546671 /nfs/dbraw/zinc/54/66/71/276546671.db2.gz GXMDIEVQWOTMJT-UONOGXRCSA-N 1 0 310.825 3.010 10 0 DGAERO CCc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc1 ZINC000185593700 276669000 /nfs/dbraw/zinc/66/90/00/276669000.db2.gz XDKCXRICDMEVMJ-KBXCAEBGSA-N 1 0 324.424 3.342 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC(C)(C)c3ccccc31)CC2 ZINC000180616583 276703104 /nfs/dbraw/zinc/70/31/04/276703104.db2.gz YNBBMTABJYDMTC-XJKSGUPXSA-N 1 0 310.445 3.168 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CCc2ncccc2C)c2ccccc2C1 ZINC000453317916 277009653 /nfs/dbraw/zinc/00/96/53/277009653.db2.gz ZLHJMGDXUQSAKT-FQEVSTJZSA-N 1 0 323.440 3.016 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4c(s3)CCCC4)CC[C@H]21 ZINC000247931252 277067879 /nfs/dbraw/zinc/06/78/79/277067879.db2.gz CBHQAXOMCWQENI-HUUCEWRRSA-N 1 0 318.486 3.183 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000247236733 277087761 /nfs/dbraw/zinc/08/77/61/277087761.db2.gz XGXQMQPFIKPZKV-BIMQEMHKSA-N 1 0 302.418 3.253 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C)nc1C ZINC000248549576 277108246 /nfs/dbraw/zinc/10/82/46/277108246.db2.gz HKTGHGNJTPEGBZ-OIISXLGYSA-N 1 0 302.418 3.005 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000340355094 277178183 /nfs/dbraw/zinc/17/81/83/277178183.db2.gz FHTXFPIMYOJJNV-LPHOPBHVSA-N 1 0 304.478 3.444 10 0 DGAERO COCC(C)(C)C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000494100680 277196843 /nfs/dbraw/zinc/19/68/43/277196843.db2.gz YOXQJBYQTSTFSC-ZBFHGGJFSA-N 1 0 310.507 3.393 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@H]2CSc3ccccc32)CCOCC1 ZINC000453213435 277472474 /nfs/dbraw/zinc/47/24/74/277472474.db2.gz CAAHFRILBIAXTK-KGLIPLIRSA-N 1 0 307.459 3.050 10 0 DGAERO COCCOCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000129896901 277537420 /nfs/dbraw/zinc/53/74/20/277537420.db2.gz BMRSFJVXQNUDJA-KRWDZBQOSA-N 1 0 319.445 3.466 10 0 DGAERO CC[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1nccs1 ZINC000185005989 287974940 /nfs/dbraw/zinc/97/49/40/287974940.db2.gz BCSCMWOJRJUEKV-ZDUSSCGKSA-N 1 0 324.494 3.015 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C2(Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000132043604 278013877 /nfs/dbraw/zinc/01/38/77/278013877.db2.gz HMHCOHGRLAXOIE-SJLPKXTDSA-N 1 0 314.473 3.341 10 0 DGAERO CC(C)c1ccc(CN(C(=O)[C@@H](C)C2C[NH2+]C2)C2CC2)cc1 ZINC000262300601 278034961 /nfs/dbraw/zinc/03/49/61/278034961.db2.gz ZWAMKORZBSQHDW-AWEZNQCLSA-N 1 0 300.446 3.157 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000175404572 278046381 /nfs/dbraw/zinc/04/63/81/278046381.db2.gz GVTQWKFKSJEZMR-IRXDYDNUSA-N 1 0 300.446 3.124 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)C(C)C ZINC000185886158 278050806 /nfs/dbraw/zinc/05/08/06/278050806.db2.gz DFGZHBUSTHZIGK-OAHLLOKOSA-N 1 0 314.433 3.048 10 0 DGAERO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)CC2 ZINC000188138244 278052015 /nfs/dbraw/zinc/05/20/15/278052015.db2.gz IILHTLAKXFKTJU-WMZOPIPTSA-N 1 0 315.461 3.143 10 0 DGAERO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)c1ccccc1 ZINC000261641644 288016364 /nfs/dbraw/zinc/01/63/64/288016364.db2.gz CRFYRGWGQAOWBA-OIISXLGYSA-N 1 0 302.462 3.234 10 0 DGAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)CCO2 ZINC000186080714 278255293 /nfs/dbraw/zinc/25/52/93/278255293.db2.gz ZNUMOHPEMVAUAZ-AWEZNQCLSA-N 1 0 317.433 3.008 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1cnccn1 ZINC000245579483 278282656 /nfs/dbraw/zinc/28/26/56/278282656.db2.gz GNYOIYUGHSELTG-NUTKFTJISA-N 1 0 316.836 3.226 10 0 DGAERO C[C@H](c1cccc(F)c1)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000091980389 278310416 /nfs/dbraw/zinc/31/04/16/278310416.db2.gz SHNKXFJLPCTIKZ-CRAIPNDOSA-N 1 0 306.425 3.073 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000333303598 278316094 /nfs/dbraw/zinc/31/60/94/278316094.db2.gz KPXPLEBJAHAGFJ-IUODEOHRSA-N 1 0 302.422 3.083 10 0 DGAERO CC1(C)CN(C(=O)c2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000261564952 278319177 /nfs/dbraw/zinc/31/91/77/278319177.db2.gz DWCWVIMOKSEZDY-LLVKDONJSA-N 1 0 301.217 3.193 10 0 DGAERO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccccc1-n1cccn1 ZINC000177194641 278347952 /nfs/dbraw/zinc/34/79/52/278347952.db2.gz DUZARIDIDZOLBZ-GFCCVEGCSA-N 1 0 313.323 3.102 10 0 DGAERO C[C@@H]1CN(CC[NH+]2CCCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000126827457 278750221 /nfs/dbraw/zinc/75/02/21/278750221.db2.gz IQUGJGKQHKVQBZ-CRAIPNDOSA-N 1 0 306.425 3.073 10 0 DGAERO Cc1csc2nc(C)nc(N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c12 ZINC000125446428 279048327 /nfs/dbraw/zinc/04/83/27/279048327.db2.gz GTDCJLSLJQEMAD-DGCLKSJQSA-N 1 0 304.463 3.227 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000046279181 279156082 /nfs/dbraw/zinc/15/60/82/279156082.db2.gz LKVARFMLOJOBRQ-KGLIPLIRSA-N 1 0 309.429 3.258 10 0 DGAERO CCn1c(CN2CCC([NH2+]C(C)C)CC2)nc2cc(F)ccc21 ZINC000108369781 431135435 /nfs/dbraw/zinc/13/54/35/431135435.db2.gz FXGQMAKGHADETI-UHFFFAOYSA-N 1 0 318.440 3.158 10 0 DGAERO CC(C)[NH2+]C1CCN(CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000108371683 431136008 /nfs/dbraw/zinc/13/60/08/431136008.db2.gz BEYMGDKPXZJSSU-UHFFFAOYSA-N 1 0 317.477 3.211 10 0 DGAERO Cc1sc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)nc1-c1ccc(C)cc1 ZINC000237795277 279284504 /nfs/dbraw/zinc/28/45/04/279284504.db2.gz FJGXZTUXQYWYSO-KBPBESRZSA-N 1 0 315.442 3.493 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000176995390 279297133 /nfs/dbraw/zinc/29/71/33/279297133.db2.gz JRCYPBOMEPUOCY-MRXNPFEDSA-N 1 0 320.864 3.314 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@@]2(CC=CCC2)C1)[N@H+](C)C1CC1 ZINC000114595812 279330106 /nfs/dbraw/zinc/33/01/06/279330106.db2.gz BRSQVLBMYKIYDV-QAPCUYQASA-N 1 0 305.466 3.001 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081774 431169745 /nfs/dbraw/zinc/16/97/45/431169745.db2.gz MPIVYNRGGPZOCO-GJZGRUSLSA-N 1 0 322.399 3.057 10 0 DGAERO CC(C)[C@H]([NH3+])Cc1nc(-c2cccc(Br)c2)no1 ZINC000109500652 431178862 /nfs/dbraw/zinc/17/88/62/431178862.db2.gz SGRSCDNLUFPNGQ-LLVKDONJSA-N 1 0 310.195 3.025 10 0 DGAERO COc1cccc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000069070753 431159012 /nfs/dbraw/zinc/15/90/12/431159012.db2.gz DLJLFZIZVLGAOE-UHFFFAOYSA-N 1 0 305.422 3.081 10 0 DGAERO c1ccc(CN2CCC[C@@H]([NH2+]CCOC3CCCC3)C2)cc1 ZINC000108942793 431159411 /nfs/dbraw/zinc/15/94/11/431159411.db2.gz QGFZITVWHQVZLY-GOSISDBHSA-N 1 0 302.462 3.200 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CC2CCC2)cc1 ZINC000111299149 431208810 /nfs/dbraw/zinc/20/88/10/431208810.db2.gz XTFKLCYZEACOQR-GOSISDBHSA-N 1 0 316.445 3.091 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)CC2CCC2)cc1 ZINC000111299151 431210776 /nfs/dbraw/zinc/21/07/76/431210776.db2.gz XTFKLCYZEACOQR-SFHVURJKSA-N 1 0 316.445 3.091 10 0 DGAERO O=C(NCCCCC[NH+]1CCCCC1)NCCc1ccsc1 ZINC000111452576 431221698 /nfs/dbraw/zinc/22/16/98/431221698.db2.gz YHZZDQQDJGQOKI-UHFFFAOYSA-N 1 0 323.506 3.246 10 0 DGAERO CCn1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000112099384 431250304 /nfs/dbraw/zinc/25/03/04/431250304.db2.gz PDXKSGPAIYRETH-IHWFROFDSA-N 1 0 324.472 3.188 10 0 DGAERO COc1cc(C[NH2+][C@H]2CCC[C@H]2C)cc(Br)c1O ZINC000071205770 431276111 /nfs/dbraw/zinc/27/61/11/431276111.db2.gz JYNHLCNXQHOJTG-SKDRFNHKSA-N 1 0 314.223 3.442 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CCn1ccnc1-c1nc(-c2ccccc2)no1 ZINC000071314907 431279746 /nfs/dbraw/zinc/27/97/46/431279746.db2.gz RAPDIODUMRYFNU-OAHLLOKOSA-N 1 0 323.400 3.084 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc(F)cc3cccnc32)cn1 ZINC000071797218 431290191 /nfs/dbraw/zinc/29/01/91/431290191.db2.gz UEFMWJOERKCQRT-QGZVFWFLSA-N 1 0 310.376 3.445 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112719451 431301616 /nfs/dbraw/zinc/30/16/16/431301616.db2.gz QERVSRCIGJDKFV-CRAIPNDOSA-N 1 0 315.461 3.270 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)cc1Br ZINC000112794260 431308054 /nfs/dbraw/zinc/30/80/54/431308054.db2.gz UYZVLXQIQRIXEG-PWSUYJOCSA-N 1 0 314.223 3.287 10 0 DGAERO COCC1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000112354841 431270545 /nfs/dbraw/zinc/27/05/45/431270545.db2.gz KRBUNGRZHVVURF-CYBMUJFWSA-N 1 0 301.390 3.156 10 0 DGAERO CC(C)c1nnc(CN(CCc2cccc(F)c2)C2CC2)n1C ZINC000113940435 431369411 /nfs/dbraw/zinc/36/94/11/431369411.db2.gz LOMFXHOBSXERPQ-UHFFFAOYSA-N 1 0 316.424 3.285 10 0 DGAERO CCOc1cc(C(=O)N(CC[NH+](C)C)CC(C)C)ccc1C ZINC000113172847 431330425 /nfs/dbraw/zinc/33/04/25/431330425.db2.gz DKEDQNNEGSYJDY-UHFFFAOYSA-N 1 0 306.450 3.054 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000113224561 431333514 /nfs/dbraw/zinc/33/35/14/431333514.db2.gz VEHIOWMZXYLPDJ-SWLSCSKDSA-N 1 0 311.429 3.093 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000113227551 431334374 /nfs/dbraw/zinc/33/43/74/431334374.db2.gz PDQFDCNOTWXVNP-BXUZGUMPSA-N 1 0 317.820 3.130 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000113227554 431334562 /nfs/dbraw/zinc/33/45/62/431334562.db2.gz PDQFDCNOTWXVNP-SMDDNHRTSA-N 1 0 317.820 3.130 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccccc1Cl ZINC000113224741 431335402 /nfs/dbraw/zinc/33/54/02/431335402.db2.gz OJNHJWDEMGAXKG-QWHCGFSZSA-N 1 0 324.877 3.127 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2ccoc2)n1 ZINC000113269635 431338276 /nfs/dbraw/zinc/33/82/76/431338276.db2.gz JXGCNMBVGMYWEV-IUODEOHRSA-N 1 0 303.431 3.072 10 0 DGAERO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2nnc(C3CC3)n2C)cc1 ZINC000113264077 431338625 /nfs/dbraw/zinc/33/86/25/431338625.db2.gz PYSJJWADDUENSF-KRWDZBQOSA-N 1 0 310.445 3.208 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(-c2cccs2)on1 ZINC000113270960 431339868 /nfs/dbraw/zinc/33/98/68/431339868.db2.gz WKKIOUFVJSCZSN-TZMCWYRMSA-N 1 0 303.431 3.072 10 0 DGAERO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2OC)C1 ZINC000072838053 431352424 /nfs/dbraw/zinc/35/24/24/431352424.db2.gz VIPLUEGUVWFNHJ-KGLIPLIRSA-N 1 0 322.474 3.240 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@H](C)CC[C@H]2C)cc1 ZINC000072897048 431353736 /nfs/dbraw/zinc/35/37/36/431353736.db2.gz DAZHXRUTCMRGOE-ZIAGYGMSSA-N 1 0 302.418 3.338 10 0 DGAERO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC[C@@H](C)O ZINC000114771893 431414039 /nfs/dbraw/zinc/41/40/39/431414039.db2.gz UNNBFKDCBKKGSZ-GFCCVEGCSA-N 1 0 321.852 3.062 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000073653809 431378525 /nfs/dbraw/zinc/37/85/25/431378525.db2.gz TXNWOXUQXUVLDS-ZMSDIMECSA-N 1 0 303.450 3.119 10 0 DGAERO Cc1cc([C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)o1 ZINC000073901075 431385341 /nfs/dbraw/zinc/38/53/41/431385341.db2.gz KRNFUGVEOUSZDH-WWTUQBGBSA-N 1 0 319.449 3.272 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000114475033 431391621 /nfs/dbraw/zinc/39/16/21/431391621.db2.gz DEJOVAQKHDWWCC-PBHICJAKSA-N 1 0 318.461 3.383 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc3ccc(C)nc32)C1 ZINC000114578923 431396992 /nfs/dbraw/zinc/39/69/92/431396992.db2.gz SQCUXVXYTHXQSN-OAHLLOKOSA-N 1 0 312.417 3.149 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc2ccc(C)nc21 ZINC000114578365 431397916 /nfs/dbraw/zinc/39/79/16/431397916.db2.gz QJEKGBVNHVXRPB-CQSZACIVSA-N 1 0 314.433 3.395 10 0 DGAERO C[NH+](C)Cc1ccccc1CNC(=O)C(C)(C)c1cccs1 ZINC000115320119 431448602 /nfs/dbraw/zinc/44/86/02/431448602.db2.gz CJCQFDIKXWYLLQ-UHFFFAOYSA-N 1 0 316.470 3.404 10 0 DGAERO Cc1ccc(CC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000115417777 431452493 /nfs/dbraw/zinc/45/24/93/431452493.db2.gz LKZKKAFBNPJMGZ-UHFFFAOYSA-N 1 0 320.433 3.116 10 0 DGAERO CC1CCC([NH+]2CCN(c3ccnc(C4CC4)n3)CC2)CC1 ZINC000115520724 431457830 /nfs/dbraw/zinc/45/78/30/431457830.db2.gz MWJNEJQQFWMBEV-UHFFFAOYSA-N 1 0 300.450 3.055 10 0 DGAERO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)s1 ZINC000075415548 431475367 /nfs/dbraw/zinc/47/53/67/431475367.db2.gz PYXDILTYUFVYPU-UHFFFAOYSA-N 1 0 318.446 3.047 10 0 DGAERO C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000115844973 431475592 /nfs/dbraw/zinc/47/55/92/431475592.db2.gz GFHPALWUPPSVKV-KBPBESRZSA-N 1 0 321.440 3.075 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116541339 431517206 /nfs/dbraw/zinc/51/72/06/431517206.db2.gz YQSXYCTWQBAYON-INIZCTEOSA-N 1 0 319.449 3.391 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116529817 431517573 /nfs/dbraw/zinc/51/75/73/431517573.db2.gz KGXSQYVAUJFAEF-GJZGRUSLSA-N 1 0 305.422 3.001 10 0 DGAERO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CCS1 ZINC000076072189 431520326 /nfs/dbraw/zinc/52/03/26/431520326.db2.gz DKARXQAKONAQKG-OFQRWUPVSA-N 1 0 306.475 3.080 10 0 DGAERO CCC[C@H](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116242864 431497108 /nfs/dbraw/zinc/49/71/08/431497108.db2.gz QVCYPOGYWFYHSA-BQFCYCMXSA-N 1 0 317.477 3.235 10 0 DGAERO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116295429 431504563 /nfs/dbraw/zinc/50/45/63/431504563.db2.gz ZVCCMAMKOTZOSU-MRXNPFEDSA-N 1 0 324.380 3.103 10 0 DGAERO Nc1cccc(OCCC[NH2+]C[C@@H]2CCc3ccccc3O2)c1 ZINC000012356086 431504989 /nfs/dbraw/zinc/50/49/89/431504989.db2.gz LZDHUMNPJASCMA-SFHVURJKSA-N 1 0 312.413 3.021 10 0 DGAERO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075968732 431510425 /nfs/dbraw/zinc/51/04/25/431510425.db2.gz RFNNGAJBMDCZIA-GOEBONIOSA-N 1 0 324.415 3.213 10 0 DGAERO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075968733 431511666 /nfs/dbraw/zinc/51/16/66/431511666.db2.gz RFNNGAJBMDCZIA-GDBMZVCRSA-N 1 0 324.415 3.213 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)n1 ZINC000116871831 431535253 /nfs/dbraw/zinc/53/52/53/431535253.db2.gz FUKMSKOWVUCWKM-MRXNPFEDSA-N 1 0 321.428 3.360 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3ccc(C(N)=O)cc3)C2)cc1 ZINC000076391016 431546280 /nfs/dbraw/zinc/54/62/80/431546280.db2.gz MFPCOJUHUKQAQP-KBXCAEBGSA-N 1 0 324.424 3.172 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000076426879 431548951 /nfs/dbraw/zinc/54/89/51/431548951.db2.gz COVXAAJEQKQFRX-CRAIPNDOSA-N 1 0 316.445 3.091 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccccc2C)[C@H](C)C1 ZINC000076485533 431551861 /nfs/dbraw/zinc/55/18/61/431551861.db2.gz HQJUBTPUOYBZTL-CVEARBPZSA-N 1 0 320.502 3.276 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2cccc(F)c2)[C@H](C)C1 ZINC000076478309 431553762 /nfs/dbraw/zinc/55/37/62/431553762.db2.gz SCDJFMBJDORPDD-DAYGRLMNSA-N 1 0 320.452 3.193 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249299809 280023872 /nfs/dbraw/zinc/02/38/72/280023872.db2.gz NSYJMBWALXHISP-BDXSIMOUSA-N 1 0 306.494 3.392 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCCO2)cc1)C(C)C ZINC000076968446 431564828 /nfs/dbraw/zinc/56/48/28/431564828.db2.gz PXONIPVPRFKHNM-SFHVURJKSA-N 1 0 318.461 3.168 10 0 DGAERO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCc1nc2ccccc2n1C ZINC000470939369 280109192 /nfs/dbraw/zinc/10/91/92/280109192.db2.gz DXFLTUGJVPVXLM-NWDGAFQWSA-N 1 0 311.351 3.389 10 0 DGAERO CC(C)[C@H](C)CC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261941625 280196857 /nfs/dbraw/zinc/19/68/57/280196857.db2.gz JKBJAWRLWKWAEN-CJNGLKHVSA-N 1 0 308.853 3.495 10 0 DGAERO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)cc1 ZINC000013991798 431572557 /nfs/dbraw/zinc/57/25/57/431572557.db2.gz VQYIRKDTWAJTGS-HNNXBMFYSA-N 1 0 313.397 3.107 10 0 DGAERO Cc1c2cc(C)cc(I)c2oc1C[NH3+] ZINC000098095795 280261509 /nfs/dbraw/zinc/26/15/09/280261509.db2.gz CPBXIOCYNLVLKC-UHFFFAOYSA-N 1 0 301.127 3.113 10 0 DGAERO C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@@H]1CCCO1 ZINC000077277114 431578913 /nfs/dbraw/zinc/57/89/13/431578913.db2.gz HZLUEDUJEUKXOT-AWEZNQCLSA-N 1 0 321.808 3.043 10 0 DGAERO CC1(C)CCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000077355082 431588253 /nfs/dbraw/zinc/58/82/53/431588253.db2.gz VRDNUBWSORTYIV-INIZCTEOSA-N 1 0 318.436 3.439 10 0 DGAERO CC1(C)CCC[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000077383075 431590090 /nfs/dbraw/zinc/59/00/90/431590090.db2.gz DHXIEJJYLBJXKS-UHFFFAOYSA-N 1 0 315.442 3.283 10 0 DGAERO CC1(C)CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000077382759 431591872 /nfs/dbraw/zinc/59/18/72/431591872.db2.gz XEKQWKJPBDGWHN-UHFFFAOYSA-N 1 0 311.223 3.262 10 0 DGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182083602 280435162 /nfs/dbraw/zinc/43/51/62/280435162.db2.gz LPWZJAFDKQXNKF-ZIFCJYIRSA-N 1 0 313.372 3.287 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Cl)cc1F ZINC000119185129 431656896 /nfs/dbraw/zinc/65/68/96/431656896.db2.gz OYPJHLFMULTGAB-MLGOLLRUSA-N 1 0 324.827 3.344 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000077612492 431612623 /nfs/dbraw/zinc/61/26/23/431612623.db2.gz UFZFROBEPXDVHS-QZTJIDSGSA-N 1 0 300.446 3.124 10 0 DGAERO C[C@H](c1nnc(-c2ccccc2)o1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842327 431621299 /nfs/dbraw/zinc/62/12/99/431621299.db2.gz VHOABNZQJBHUEZ-HUUCEWRRSA-N 1 0 314.433 3.071 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000118816297 431621475 /nfs/dbraw/zinc/62/14/75/431621475.db2.gz NBYSEIJGHMURMY-LSDHHAIUSA-N 1 0 319.449 3.200 10 0 DGAERO CCc1nnc(C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)n1C ZINC000119056449 431639957 /nfs/dbraw/zinc/63/99/57/431639957.db2.gz QDNHGIRROSEKBH-IRXDYDNUSA-N 1 0 312.461 3.269 10 0 DGAERO c1cn(C2CCCC2)nc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422994166 280496979 /nfs/dbraw/zinc/49/69/79/280496979.db2.gz USPBVSJTFYNJPH-GBESFXJTSA-N 1 0 316.493 3.399 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)cc1F ZINC000119087124 431645907 /nfs/dbraw/zinc/64/59/07/431645907.db2.gz QHWKIBLOUISQIV-OAHLLOKOSA-N 1 0 314.404 3.443 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]CCCO[C@@H]1CCOC1)CCCO2 ZINC000119111554 431647787 /nfs/dbraw/zinc/64/77/87/431647787.db2.gz CNILYSSHAAHWQF-SJLPKXTDSA-N 1 0 319.445 3.302 10 0 DGAERO [NH3+][C@@H](CC(=O)N1CCCC[C@H]1c1nccs1)c1ccccc1 ZINC000119623849 431712773 /nfs/dbraw/zinc/71/27/73/431712773.db2.gz GKUGGLTUYQTJRA-GJZGRUSLSA-N 1 0 315.442 3.287 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCc1cc2ccccc2o1 ZINC000119278055 431670049 /nfs/dbraw/zinc/67/00/49/431670049.db2.gz YFQHQKRDHCFCHS-CQSZACIVSA-N 1 0 317.433 3.005 10 0 DGAERO COc1cc(C[C@@H](C)[NH3+])cc(OC)c1OCc1ccccc1 ZINC000027300404 431686598 /nfs/dbraw/zinc/68/65/98/431686598.db2.gz IQKPLBJGFPDASR-CYBMUJFWSA-N 1 0 301.386 3.173 10 0 DGAERO CCO[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC000119436316 431692684 /nfs/dbraw/zinc/69/26/84/431692684.db2.gz YYTCZUAGALWJJX-MSOLQXFVSA-N 1 0 318.461 3.001 10 0 DGAERO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCC1CCOCC1)c1ccccc1 ZINC000120469556 431728413 /nfs/dbraw/zinc/72/84/13/431728413.db2.gz FFYIMLQQHKIVPI-HOTGVXAUSA-N 1 0 318.461 3.001 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(F)c1Cl ZINC000079757432 431745470 /nfs/dbraw/zinc/74/54/70/431745470.db2.gz MCNDIQZPXPPWCP-LLVKDONJSA-N 1 0 300.805 3.185 10 0 DGAERO Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)NC(C)(C)C ZINC000121125007 431746387 /nfs/dbraw/zinc/74/63/87/431746387.db2.gz PTVHHAUZBUEZFL-LBPRGKRZSA-N 1 0 311.495 3.482 10 0 DGAERO CCC(C)(CC)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000121214882 431755136 /nfs/dbraw/zinc/75/51/36/431755136.db2.gz CZDQUMRYQPFJNT-UHFFFAOYSA-N 1 0 309.429 3.265 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000079965839 431757712 /nfs/dbraw/zinc/75/77/12/431757712.db2.gz WLIBYRHISQWDNJ-NSHDSACASA-N 1 0 321.490 3.322 10 0 DGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306327 431720094 /nfs/dbraw/zinc/72/00/94/431720094.db2.gz KPZJGKQNMDVBII-STQMWFEESA-N 1 0 322.449 3.048 10 0 DGAERO COC[C@@H]1CCC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084075988 431813593 /nfs/dbraw/zinc/81/35/93/431813593.db2.gz ABYLATGFPXKQAS-OAHLLOKOSA-N 1 0 322.474 3.319 10 0 DGAERO CCC[N@@H+](Cc1cn2cc(C)ccc2n1)C[C@@H]1CCCCO1 ZINC000084075178 431814283 /nfs/dbraw/zinc/81/42/83/431814283.db2.gz HFIITKOKQCTCLT-KRWDZBQOSA-N 1 0 301.434 3.424 10 0 DGAERO OCC[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000033454412 431814677 /nfs/dbraw/zinc/81/46/77/431814677.db2.gz DNURDKVLMQBYKL-UHFFFAOYSA-N 1 0 309.768 3.140 10 0 DGAERO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000122193595 431817418 /nfs/dbraw/zinc/81/74/18/431817418.db2.gz SXQKLGNTJYUVGO-AWEZNQCLSA-N 1 0 315.442 3.302 10 0 DGAERO COc1cc(C[NH2+]C2CC2)cc(Br)c1OC(C)C ZINC000036815107 431842065 /nfs/dbraw/zinc/84/20/65/431842065.db2.gz GHARKZSCQNQVKZ-UHFFFAOYSA-N 1 0 314.223 3.497 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000085976024 431842382 /nfs/dbraw/zinc/84/23/82/431842382.db2.gz ANJTWBJMHNBQQN-HOCLYGCPSA-N 1 0 302.443 3.451 10 0 DGAERO O=C(Nc1ccc(Cl)cc1F)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000037029102 431842947 /nfs/dbraw/zinc/84/29/47/431842947.db2.gz CUGFYDJLGAQSFC-HNNXBMFYSA-N 1 0 304.752 3.132 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)s1 ZINC000037090180 431843568 /nfs/dbraw/zinc/84/35/68/431843568.db2.gz VSSQRKUSWAPOST-ZIAGYGMSSA-N 1 0 302.447 3.166 10 0 DGAERO COc1cc(C[NH2+]CC2CCCC2)cc(Br)c1O ZINC000037252057 431844667 /nfs/dbraw/zinc/84/46/67/431844667.db2.gz QEZIPUQVRNQVFM-UHFFFAOYSA-N 1 0 314.223 3.443 10 0 DGAERO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037231658 431845317 /nfs/dbraw/zinc/84/53/17/431845317.db2.gz IHXCYWJCOAECDM-KGLIPLIRSA-N 1 0 312.479 3.199 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000122820796 431845419 /nfs/dbraw/zinc/84/54/19/431845419.db2.gz XYCAIWKAKLAVLI-MRXNPFEDSA-N 1 0 315.465 3.326 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc(Cl)c1 ZINC000086485726 431845744 /nfs/dbraw/zinc/84/57/44/431845744.db2.gz DWWAMBHRTJTFMC-UGFHNGPFSA-N 1 0 315.866 3.346 10 0 DGAERO COc1ccc(CC[NH2+][C@H]2CCCc3c2cnn3C)c(Cl)c1 ZINC000122927162 431848751 /nfs/dbraw/zinc/84/87/51/431848751.db2.gz BMIVUBWOWHHULN-INIZCTEOSA-N 1 0 319.836 3.292 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000122920927 431849267 /nfs/dbraw/zinc/84/92/67/431849267.db2.gz UVMUHRWMAMPNGQ-HNNXBMFYSA-N 1 0 315.465 3.303 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2cccc(F)c2)CC[N@@H+]1C ZINC000122950069 431849860 /nfs/dbraw/zinc/84/98/60/431849860.db2.gz JHJXLHNIMTZBIW-CJNGLKHVSA-N 1 0 306.425 3.044 10 0 DGAERO O=C(c1cc(Cl)ccc1F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917237 431851824 /nfs/dbraw/zinc/85/18/24/431851824.db2.gz ZRKRBRWFWXOODJ-XHDPSFHLSA-N 1 0 310.800 3.083 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C)CCCc3ccccc32)CC[N@@H+]1C ZINC000123000626 431851822 /nfs/dbraw/zinc/85/18/22/431851822.db2.gz DKFRWVYDAXGWDD-OXFYSEKESA-N 1 0 314.473 3.222 10 0 DGAERO COc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1Br ZINC000037988698 431852294 /nfs/dbraw/zinc/85/22/94/431852294.db2.gz XSRGDGJKAULCKY-LBPRGKRZSA-N 1 0 314.223 3.116 10 0 DGAERO Cc1ccc(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000123038915 431853737 /nfs/dbraw/zinc/85/37/37/431853737.db2.gz XWHKCJZHJPYDOR-IAGOWNOFSA-N 1 0 318.461 3.013 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)c1 ZINC000123067061 431854143 /nfs/dbraw/zinc/85/41/43/431854143.db2.gz VJKAMROOSTWOPC-HNNXBMFYSA-N 1 0 301.438 3.049 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1COCCO1)c1c(Cl)ccc(F)c1Cl ZINC000038060343 431854552 /nfs/dbraw/zinc/85/45/52/431854552.db2.gz ZRWGFJPJOIDMHF-BDAKNGLRSA-N 1 0 308.180 3.199 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2ncc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000123139361 431856710 /nfs/dbraw/zinc/85/67/10/431856710.db2.gz FOHLXXKNBASKDC-UONOGXRCSA-N 1 0 317.408 3.395 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cc(OC)ccc2F)CC1 ZINC000088407235 431857321 /nfs/dbraw/zinc/85/73/21/431857321.db2.gz VAFBCHNOLRAERB-UHFFFAOYSA-N 1 0 323.412 3.078 10 0 DGAERO Cc1nn(C)c(C[NH2+]CCC2CCCC2)c1Br ZINC000089231922 431861647 /nfs/dbraw/zinc/86/16/47/431861647.db2.gz HRXUHLJKEZNRCS-UHFFFAOYSA-N 1 0 300.244 3.161 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123414343 431863780 /nfs/dbraw/zinc/86/37/80/431863780.db2.gz RTEIQUOCISPGRT-PWSUYJOCSA-N 1 0 317.296 3.425 10 0 DGAERO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1SC ZINC000123407507 431864074 /nfs/dbraw/zinc/86/40/74/431864074.db2.gz QGNMXGKKNVINDN-UKRRQHHQSA-N 1 0 308.491 3.332 10 0 DGAERO CC[C@@](C)(O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000123490321 431866604 /nfs/dbraw/zinc/86/66/04/431866604.db2.gz ISWPYBCZHJKMEQ-GOSISDBHSA-N 1 0 301.434 3.102 10 0 DGAERO CCn1c2cccc(F)c2nc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123534190 431867460 /nfs/dbraw/zinc/86/74/60/431867460.db2.gz PTEIOGDGDBBXAX-ZIAGYGMSSA-N 1 0 318.440 3.110 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1)N1CCOCC1 ZINC000123526329 431867681 /nfs/dbraw/zinc/86/76/81/431867681.db2.gz ZZAXUPDIVKXNRJ-HZPDHXFCSA-N 1 0 314.429 3.318 10 0 DGAERO CCO[C@H](C)c1nc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000123545619 431867862 /nfs/dbraw/zinc/86/78/62/431867862.db2.gz ZNIUMUJFCBJGKQ-UMVBOHGHSA-N 1 0 311.495 3.155 10 0 DGAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2C[C@@H]2c2ccco2)C1 ZINC000123662512 431871776 /nfs/dbraw/zinc/87/17/76/431871776.db2.gz KRNTWBXTOIKSND-OWCLPIDISA-N 1 0 304.434 3.011 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)c(F)cc2Cl)CC[N@@H+]1C ZINC000123705540 431872086 /nfs/dbraw/zinc/87/20/86/431872086.db2.gz JQIDWCQLDIJQOO-VHSXEESVSA-N 1 0 316.779 3.173 10 0 DGAERO O=C(C[NH2+]Cc1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000035099673 431824936 /nfs/dbraw/zinc/82/49/36/431824936.db2.gz PPZGXSDQXKIQFP-UHFFFAOYSA-N 1 0 320.845 3.076 10 0 DGAERO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000122354064 431828912 /nfs/dbraw/zinc/82/89/12/431828912.db2.gz MLPYVEYHMQBQHR-ZBFHGGJFSA-N 1 0 306.475 3.158 10 0 DGAERO C[C@H]([NH2+]CCN1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000035790423 431833443 /nfs/dbraw/zinc/83/34/43/431833443.db2.gz SFGNMWAHUORKKN-JTQLQIEISA-N 1 0 321.223 3.115 10 0 DGAERO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccsc1)C1CC1 ZINC000036031111 431833861 /nfs/dbraw/zinc/83/38/61/431833861.db2.gz SHUDCIZQRSRWQJ-QGZVFWFLSA-N 1 0 317.454 3.461 10 0 DGAERO CCc1ccc([C@@H](CNC(=O)NC2CCCCC2)[NH+](C)C)cc1 ZINC000036097785 431835181 /nfs/dbraw/zinc/83/51/81/431835181.db2.gz FXUBTTPJDVEGEU-GOSISDBHSA-N 1 0 317.477 3.484 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)/C=C/SCc1ccco1 ZINC000084923216 431835517 /nfs/dbraw/zinc/83/55/17/431835517.db2.gz NOAXAPFTHDNOAM-KGXGESDWSA-N 1 0 310.463 3.119 10 0 DGAERO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)C(C)C)cc1 ZINC000036102112 431835619 /nfs/dbraw/zinc/83/56/19/431835619.db2.gz WYEQFYIPLRQTRA-SFHVURJKSA-N 1 0 303.402 3.307 10 0 DGAERO COCC[N@@H+](Cc1ccccc1C)C[C@H](O)Cc1ccccc1 ZINC000036099866 431835972 /nfs/dbraw/zinc/83/59/72/431835972.db2.gz MDZUZGMHECBGGL-HXUWFJFHSA-N 1 0 313.441 3.047 10 0 DGAERO C[C@H](NC(=O)C/C=C/c1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000085289976 431837770 /nfs/dbraw/zinc/83/77/70/431837770.db2.gz WJPXFASDRLTLGG-KGXGESDWSA-N 1 0 306.425 3.322 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000092708453 431911319 /nfs/dbraw/zinc/91/13/19/431911319.db2.gz LJSRJVMXWYEBMA-QCUIPMNBSA-N 1 0 300.446 3.471 10 0 DGAERO Fc1ccc(OCCN2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000125045991 431912283 /nfs/dbraw/zinc/91/22/83/431912283.db2.gz BSJJJYXIQPXKIT-MRXNPFEDSA-N 1 0 307.390 3.340 10 0 DGAERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000093498657 431915695 /nfs/dbraw/zinc/91/56/95/431915695.db2.gz YFLMRFCYZAMYJW-KGLIPLIRSA-N 1 0 321.465 3.072 10 0 DGAERO CCOc1ccc(C(=O)C2CC[NH2+]CC2)c(Br)c1 ZINC000094930718 431919426 /nfs/dbraw/zinc/91/94/26/431919426.db2.gz RXZVVCLVLFZSII-UHFFFAOYSA-N 1 0 312.207 3.030 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1nnc(-c2ccccc2)o1 ZINC000125290342 431920187 /nfs/dbraw/zinc/92/01/87/431920187.db2.gz NGPLZNSSFQAKHF-QWHCGFSZSA-N 1 0 301.390 3.202 10 0 DGAERO CCCOc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000125307198 431920892 /nfs/dbraw/zinc/92/08/92/431920892.db2.gz QTVABYTWSLKFJU-MRXNPFEDSA-N 1 0 317.433 3.177 10 0 DGAERO CC[C@@H](C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1)[NH+](C)C ZINC000125411297 431925019 /nfs/dbraw/zinc/92/50/19/431925019.db2.gz ARUCJFLWPFNMPI-KDOFPFPSSA-N 1 0 311.429 3.266 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc2c(c1)CCC2 ZINC000089732315 431876177 /nfs/dbraw/zinc/87/61/77/431876177.db2.gz IKDJQRWHVBCTPZ-BEFAXECRSA-N 1 0 322.456 3.285 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000089732859 431876362 /nfs/dbraw/zinc/87/63/62/431876362.db2.gz RJGGBEWAJMJHTD-UONOGXRCSA-N 1 0 302.447 3.166 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089733020 431876412 /nfs/dbraw/zinc/87/64/12/431876412.db2.gz FYCNNAONHUCOBT-QAPCUYQASA-N 1 0 310.445 3.359 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(c3cccnn3)C1)CC2 ZINC000089732473 431876488 /nfs/dbraw/zinc/87/64/88/431876488.db2.gz JRMPAWZOBPNEPC-WMZOPIPTSA-N 1 0 308.429 3.031 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2scnc2C2CC2)C1 ZINC000089751389 431876872 /nfs/dbraw/zinc/87/68/72/431876872.db2.gz ZAEXFJYRPLRSAZ-STQMWFEESA-N 1 0 321.490 3.118 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(F)cc(F)c1 ZINC000089733199 431877118 /nfs/dbraw/zinc/87/71/18/431877118.db2.gz NUYGTOVTSDBERB-LRDDRELGSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]1CCC[C@](CNC(=O)c2scnc2C2CC2)([NH+](C)C)C1 ZINC000089772948 431878201 /nfs/dbraw/zinc/87/82/01/431878201.db2.gz CNIMPOJMSYAXJS-PXAZEXFGSA-N 1 0 321.490 3.261 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123940427 431878387 /nfs/dbraw/zinc/87/83/87/431878387.db2.gz WAMCDWQNBQXUBG-TZMCWYRMSA-N 1 0 323.868 3.001 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2coc(-c3cccc(F)c3)n2)CC[N@@H+]1C ZINC000123995514 431880417 /nfs/dbraw/zinc/88/04/17/431880417.db2.gz YCAMOOADMDRDDW-DYVFJYSZSA-N 1 0 317.408 3.395 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000123990177 431880503 /nfs/dbraw/zinc/88/05/03/431880503.db2.gz VVKUWFPWZJTGMX-GUYCJALGSA-N 1 0 317.408 3.395 10 0 DGAERO CCOC(C[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1)OCC ZINC000124050710 431881949 /nfs/dbraw/zinc/88/19/49/431881949.db2.gz BXPWJCHTWCQVHV-CYBMUJFWSA-N 1 0 312.479 3.284 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000124180183 431885105 /nfs/dbraw/zinc/88/51/05/431885105.db2.gz HNCMSNGCNHBKQD-SFHVURJKSA-N 1 0 313.445 3.391 10 0 DGAERO CC(C)Cc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000124179238 431885436 /nfs/dbraw/zinc/88/54/36/431885436.db2.gz YHDXXRGPNSHVQJ-QFBILLFUSA-N 1 0 316.489 3.369 10 0 DGAERO COc1cccc([C@H](C)[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000090003495 431888541 /nfs/dbraw/zinc/88/85/41/431888541.db2.gz CUVRWEZHSDYFHM-JKSUJKDBSA-N 1 0 313.445 3.444 10 0 DGAERO COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000090003496 431888627 /nfs/dbraw/zinc/88/86/27/431888627.db2.gz CUVRWEZHSDYFHM-HZPDHXFCSA-N 1 0 313.445 3.444 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)CCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000124367672 431891818 /nfs/dbraw/zinc/89/18/18/431891818.db2.gz XXMMKYMIJBKELN-HIFRSBDPSA-N 1 0 324.852 3.050 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CSC[C@H]1CCCCO1 ZINC000124531028 431896910 /nfs/dbraw/zinc/89/69/10/431896910.db2.gz ZLFBGAOEEHSNLS-OAHLLOKOSA-N 1 0 322.474 3.037 10 0 DGAERO COc1ccc(OC)c([C@H]2CCCN2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000124738307 431903234 /nfs/dbraw/zinc/90/32/34/431903234.db2.gz NLKCIBOTSLRUMP-CRAIPNDOSA-N 1 0 318.461 3.325 10 0 DGAERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3nccs3)CC2)n1 ZINC000091726110 431904974 /nfs/dbraw/zinc/90/49/74/431904974.db2.gz RAEFTGNFEYHDCR-ZDUSSCGKSA-N 1 0 302.447 3.166 10 0 DGAERO O=C(c1cccc(Cl)c1F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000124828089 431905917 /nfs/dbraw/zinc/90/59/17/431905917.db2.gz SHEOYGAKYAQBQA-FZMZJTMJSA-N 1 0 310.800 3.083 10 0 DGAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(C)cc2)s1 ZINC000092099376 431907389 /nfs/dbraw/zinc/90/73/89/431907389.db2.gz XAUODLSFXZOHBK-INIZCTEOSA-N 1 0 314.454 3.434 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000127371144 431971082 /nfs/dbraw/zinc/97/10/82/431971082.db2.gz MIFWFYQIVXFJEL-RHSMWYFYSA-N 1 0 317.433 3.081 10 0 DGAERO CCc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)oc1CC ZINC000127459251 431972564 /nfs/dbraw/zinc/97/25/64/431972564.db2.gz GDLBVQYSCUZQAF-UHFFFAOYSA-N 1 0 318.461 3.352 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2ncccc21 ZINC000097667772 431973672 /nfs/dbraw/zinc/97/36/72/431973672.db2.gz FIAYYWOHZWDBOM-LSDHHAIUSA-N 1 0 311.429 3.085 10 0 DGAERO C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)CCc1ccc(F)cc1 ZINC000055022584 431975207 /nfs/dbraw/zinc/97/52/07/431975207.db2.gz VLMCNLCJTBANRI-HNNXBMFYSA-N 1 0 314.404 3.005 10 0 DGAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSc1ccc(Cl)cc1)C2 ZINC000100243771 431980988 /nfs/dbraw/zinc/98/09/88/431980988.db2.gz XUJCMFOKNVUYGL-BTTYYORXSA-N 1 0 324.877 3.174 10 0 DGAERO C[NH+](C)C[C@@H]1CCN(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000125461945 431926654 /nfs/dbraw/zinc/92/66/54/431926654.db2.gz QQFMMRNVEZUOLS-HNNXBMFYSA-N 1 0 313.420 3.271 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc(Cl)c1Cl ZINC000125497650 431927683 /nfs/dbraw/zinc/92/76/83/431927683.db2.gz CHBDSRINMXLFOG-NHYWBVRUSA-N 1 0 318.244 3.433 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000125499829 431927734 /nfs/dbraw/zinc/92/77/34/431927734.db2.gz NUHYIOSQEODOAR-SWLSCSKDSA-N 1 0 317.351 3.145 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000125654467 431932401 /nfs/dbraw/zinc/93/24/01/431932401.db2.gz HNUVHTUCNGWZSW-QFBILLFUSA-N 1 0 321.461 3.161 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc(C(F)(F)F)c1 ZINC000125697705 431933276 /nfs/dbraw/zinc/93/32/76/431933276.db2.gz PYESDWBWJQJTTE-IUODEOHRSA-N 1 0 317.351 3.145 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(-c2ccncc2)cc1 ZINC000125774824 431935131 /nfs/dbraw/zinc/93/51/31/431935131.db2.gz DVGKWOCFSHJVRM-CQSZACIVSA-N 1 0 311.429 3.314 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc21 ZINC000126201162 431944520 /nfs/dbraw/zinc/94/45/20/431944520.db2.gz PSQYSSMDHSNVTJ-SJCJKPOMSA-N 1 0 317.408 3.028 10 0 DGAERO Cc1sc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)nc(N)c2c1C ZINC000049933639 431944739 /nfs/dbraw/zinc/94/47/39/431944739.db2.gz XWJDSXOXRYEGCA-NXEZZACHSA-N 1 0 304.463 3.368 10 0 DGAERO CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(C)C ZINC000126420530 431950114 /nfs/dbraw/zinc/95/01/14/431950114.db2.gz FILXHLLCFVHDJQ-IAGOWNOFSA-N 1 0 324.509 3.063 10 0 DGAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccn1Cc1cccs1 ZINC000126543024 431952016 /nfs/dbraw/zinc/95/20/16/431952016.db2.gz IDEDXVXYUMVMHQ-MZBDJJRSSA-N 1 0 302.443 3.086 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCn1ccnn1 ZINC000126544767 431952563 /nfs/dbraw/zinc/95/25/63/431952563.db2.gz VVUZHBIZLRNQLA-NSHDSACASA-N 1 0 307.467 3.081 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(I)cc1 ZINC000052274089 431955406 /nfs/dbraw/zinc/95/54/06/431955406.db2.gz QWIPRRGARJJWLY-VDDIYKPWSA-N 1 0 301.171 3.350 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000052499092 431956419 /nfs/dbraw/zinc/95/64/19/431956419.db2.gz KKVYJOKMZOBRNY-WFASDCNBSA-N 1 0 309.841 3.185 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2cccc(F)c2)C1 ZINC000052593692 431956516 /nfs/dbraw/zinc/95/65/16/431956516.db2.gz TUWDVEGPGZKHDA-IAGOWNOFSA-N 1 0 319.424 3.157 10 0 DGAERO CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000052594033 431957814 /nfs/dbraw/zinc/95/78/14/431957814.db2.gz FPBPGYSCZLXAGV-HIFRSBDPSA-N 1 0 321.490 3.251 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cn1 ZINC000126866901 431959550 /nfs/dbraw/zinc/95/95/50/431959550.db2.gz ZMJLTKZDEBINRK-ZDUSSCGKSA-N 1 0 302.397 3.313 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(Br)cc1F ZINC000127162692 431965983 /nfs/dbraw/zinc/96/59/83/431965983.db2.gz QRSXSABZDXXITA-ONGXEEELSA-N 1 0 302.187 3.418 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@H]1CCOC1 ZINC000127334227 431969950 /nfs/dbraw/zinc/96/99/50/431969950.db2.gz CWBAHFSFHWIEAZ-KOLCDFICSA-N 1 0 302.187 3.103 10 0 DGAERO CC(C)COC1CC[NH+](CC(=O)N(C)CC2CCCCC2)CC1 ZINC000097504823 431970465 /nfs/dbraw/zinc/97/04/65/431970465.db2.gz ZXRFPINPQWWAHI-UHFFFAOYSA-N 1 0 324.509 3.162 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](CCn3cccn3)C2)n1 ZINC000127806395 431981415 /nfs/dbraw/zinc/98/14/15/431981415.db2.gz MNYDUVRMLHKQMZ-CQSZACIVSA-N 1 0 304.463 3.343 10 0 DGAERO CC[C@@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1cccc(O)c1 ZINC000055392774 431981539 /nfs/dbraw/zinc/98/15/39/431981539.db2.gz HVQVOPWETSBBEW-KRWDZBQOSA-N 1 0 303.377 3.304 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](CCn3cccn3)C2)n1 ZINC000127806614 431981847 /nfs/dbraw/zinc/98/18/47/431981847.db2.gz MNYDUVRMLHKQMZ-AWEZNQCLSA-N 1 0 304.463 3.343 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000056786079 431988569 /nfs/dbraw/zinc/98/85/69/431988569.db2.gz HRONSTFIHWHMBZ-YDHLFZDLSA-N 1 0 307.438 3.069 10 0 DGAERO Cc1ccc([C@H](CNC(=O)NC2CCCCC2)[NH+]2CCCC2)o1 ZINC000101763335 431988428 /nfs/dbraw/zinc/98/84/28/431988428.db2.gz CGPPCBZURVSFEY-INIZCTEOSA-N 1 0 319.449 3.357 10 0 DGAERO CC[C@H](O)CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000128230874 431990615 /nfs/dbraw/zinc/99/06/15/431990615.db2.gz RHPQQDUDOSAVBM-OCCSQVGLSA-N 1 0 301.377 3.360 10 0 DGAERO Cc1nccc(N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000128279404 431991469 /nfs/dbraw/zinc/99/14/69/431991469.db2.gz ITKRTCIZGHRRNF-UONOGXRCSA-N 1 0 323.318 3.116 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](n2cncn2)C1 ZINC000185300014 281308084 /nfs/dbraw/zinc/30/80/84/281308084.db2.gz PMIDYNKWOASOHK-OAHLLOKOSA-N 1 0 307.401 3.285 10 0 DGAERO CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1CCCCC1 ZINC000057205979 431991552 /nfs/dbraw/zinc/99/15/52/431991552.db2.gz AYPRZMVORYVHBX-KRWDZBQOSA-N 1 0 317.477 3.133 10 0 DGAERO CC(C)Cn1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cn1 ZINC000183229510 432271238 /nfs/dbraw/zinc/27/12/38/432271238.db2.gz ZCDVLNQFVXWBMS-OAHLLOKOSA-N 1 0 304.463 3.375 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1(C)C ZINC000248157859 432271786 /nfs/dbraw/zinc/27/17/86/432271786.db2.gz RQAITEPSZGNDDX-KBRIMQKVSA-N 1 0 314.433 3.122 10 0 DGAERO CCCn1ccnc1CCC[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000191522059 432272458 /nfs/dbraw/zinc/27/24/58/432272458.db2.gz ASGONEOIDAJNBO-UHFFFAOYSA-N 1 0 303.454 3.135 10 0 DGAERO COc1cccc(OCC[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000151752230 432272620 /nfs/dbraw/zinc/27/26/20/432272620.db2.gz SGEHYLKTECRZPW-CQSZACIVSA-N 1 0 318.442 3.410 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCSC1)c1nc(-c2cccc(F)c2)no1 ZINC000191531065 432274095 /nfs/dbraw/zinc/27/40/95/432274095.db2.gz MMPWUSAPZWGOEK-GXFFZTMASA-N 1 0 307.394 3.422 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(Cc3ncc(-c4ccccc4)o3)CC[C@H]21 ZINC000248217488 432275763 /nfs/dbraw/zinc/27/57/63/432275763.db2.gz ZWXMLXZLNHZMQJ-DLBZAZTESA-N 1 0 311.429 3.258 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(SC)cc1)CC2 ZINC000173397127 432275949 /nfs/dbraw/zinc/27/59/49/432275949.db2.gz CURIIPTZQPYGSX-JSGCOSHPSA-N 1 0 316.474 3.228 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc2c(c1)OCCO2 ZINC000248200246 432275969 /nfs/dbraw/zinc/27/59/69/432275969.db2.gz YLQHJKDFACAJCW-OWCLPIDISA-N 1 0 305.418 3.050 10 0 DGAERO Cn1ccnc1[C@@H]([NH2+]CCCCOCc1ccccc1)C1CC1 ZINC000183263012 432276192 /nfs/dbraw/zinc/27/61/92/432276192.db2.gz NVNCHQUUIDPOTB-SFHVURJKSA-N 1 0 313.445 3.458 10 0 DGAERO CCN(C(=O)CCSC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248272420 432277887 /nfs/dbraw/zinc/27/78/87/432277887.db2.gz WPIIVWMJNVIXGM-WBVHZDCISA-N 1 0 320.502 3.424 10 0 DGAERO CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248320087 432278932 /nfs/dbraw/zinc/27/89/32/432278932.db2.gz RNXRTDFCPBKLFJ-NUJGCVRESA-N 1 0 318.461 3.095 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1F ZINC000183298714 432281033 /nfs/dbraw/zinc/28/10/33/432281033.db2.gz VZKKBTNUMNIPMR-CHWSQXEVSA-N 1 0 318.371 3.074 10 0 DGAERO CC(C)C[C@@H](C)OCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000151842021 432281589 /nfs/dbraw/zinc/28/15/89/432281589.db2.gz KPKAFXFTXIQHOT-SJLPKXTDSA-N 1 0 320.477 3.247 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+]([C@H]3CCCN(C(C)C)C3=O)C2)n1 ZINC000248358741 432282423 /nfs/dbraw/zinc/28/24/23/432282423.db2.gz RCXHJVQQESHRET-GJZGRUSLSA-N 1 0 321.490 3.030 10 0 DGAERO Cc1sc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1C ZINC000173527671 432283879 /nfs/dbraw/zinc/28/38/79/432283879.db2.gz OZRFXXDFYSXMLQ-IAQYHMDHSA-N 1 0 323.506 3.026 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2csc(-c3ccccn3)n2)CC[N@@H+]1C ZINC000173526149 432284458 /nfs/dbraw/zinc/28/44/58/432284458.db2.gz GDYIMJRBGPEKAS-HIFRSBDPSA-N 1 0 316.474 3.120 10 0 DGAERO CCOc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)ccc1OC ZINC000248401099 432284657 /nfs/dbraw/zinc/28/46/57/432284657.db2.gz ROMXFZWSDYNOJB-SJORKVTESA-N 1 0 318.461 3.153 10 0 DGAERO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000191630352 432285415 /nfs/dbraw/zinc/28/54/15/432285415.db2.gz JYNIQELTCGELNE-WDEREUQCSA-N 1 0 316.239 3.391 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC000248392939 432285471 /nfs/dbraw/zinc/28/54/71/432285471.db2.gz LHCCBYQVJLMZBY-OWCLPIDISA-N 1 0 311.372 3.393 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)cc2Cl)[C@H](C)C1 ZINC000191633081 432285499 /nfs/dbraw/zinc/28/54/99/432285499.db2.gz XCIURTIUDJVXCH-CJNGLKHVSA-N 1 0 308.853 3.451 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173590374 432288875 /nfs/dbraw/zinc/28/88/75/432288875.db2.gz YVCIBLSBHQFFDG-LSDHHAIUSA-N 1 0 321.490 3.032 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2Cl)cn1 ZINC000248426277 432290207 /nfs/dbraw/zinc/29/02/07/432290207.db2.gz MOBNAIVLDWXEPM-HZPDHXFCSA-N 1 0 323.799 3.083 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173590391 432290271 /nfs/dbraw/zinc/29/02/71/432290271.db2.gz YVCIBLSBHQFFDG-GJZGRUSLSA-N 1 0 321.490 3.032 10 0 DGAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000173635148 432291511 /nfs/dbraw/zinc/29/15/11/432291511.db2.gz LDGBWXQKRBPBKK-KRWDZBQOSA-N 1 0 324.509 3.064 10 0 DGAERO Cc1ccc(C(C)(C)C[N@H+](C)CC(=O)Nc2ccncc2)cc1 ZINC000173645791 432291963 /nfs/dbraw/zinc/29/19/63/432291963.db2.gz FZNRXOFDTXDPPQ-UHFFFAOYSA-N 1 0 311.429 3.238 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000151963936 432292926 /nfs/dbraw/zinc/29/29/26/432292926.db2.gz MVVCOPFXYJXQEY-AYOQOUSVSA-N 1 0 314.473 3.324 10 0 DGAERO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c(C)n1 ZINC000151999350 432296050 /nfs/dbraw/zinc/29/60/50/432296050.db2.gz AYADCBBKMQKCPM-GOSISDBHSA-N 1 0 311.429 3.252 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)n1C ZINC000173745066 432298683 /nfs/dbraw/zinc/29/86/83/432298683.db2.gz LFFGVJYGLFBEOV-NVXWUHKLSA-N 1 0 323.440 3.001 10 0 DGAERO CC[C@]1(C)CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000173775385 432299314 /nfs/dbraw/zinc/29/93/14/432299314.db2.gz CANSEIMXHXAYKF-DZGCQCFKSA-N 1 0 320.399 3.299 10 0 DGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3Cc3ccccc3)C[C@H]12 ZINC000248585349 432303884 /nfs/dbraw/zinc/30/38/84/432303884.db2.gz GCFRORRILPGTLH-YSIASYRMSA-N 1 0 320.436 3.087 10 0 DGAERO Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000191762206 432299726 /nfs/dbraw/zinc/29/97/26/432299726.db2.gz LLYZBIBYXDEGCN-SFHVURJKSA-N 1 0 312.388 3.025 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C)nc1C ZINC000248549582 432300695 /nfs/dbraw/zinc/30/06/95/432300695.db2.gz HKTGHGNJTPEGBZ-XIRDDKMYSA-N 1 0 302.418 3.005 10 0 DGAERO c1cc(-c2ccccc2)oc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128564839 431996348 /nfs/dbraw/zinc/99/63/48/431996348.db2.gz DDXKHEJVFRLZCJ-INIZCTEOSA-N 1 0 322.412 3.450 10 0 DGAERO CCCCCCC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000102648100 431996494 /nfs/dbraw/zinc/99/64/94/431996494.db2.gz IKHIBKOTRSVINW-CALCHBBNSA-N 1 0 324.509 3.305 10 0 DGAERO CC(C)CCn1cccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128628438 431998066 /nfs/dbraw/zinc/99/80/66/431998066.db2.gz GIQMKFUXQHGVKM-QGZVFWFLSA-N 1 0 315.465 3.038 10 0 DGAERO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCCO1 ZINC000102770485 431998179 /nfs/dbraw/zinc/99/81/79/431998179.db2.gz ZBQSXCOOHNNDID-ZENOOKHLSA-N 1 0 324.852 3.017 10 0 DGAERO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3ccccc3C)CC2)n1 ZINC000128695250 431998526 /nfs/dbraw/zinc/99/85/26/431998526.db2.gz VVZAIBLJRVSQAZ-GJZGRUSLSA-N 1 0 314.433 3.126 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC(=O)OC(C)C)cc1 ZINC000183155426 432263496 /nfs/dbraw/zinc/26/34/96/432263496.db2.gz KKSVVDPGRIQHGY-AWEZNQCLSA-N 1 0 315.417 3.173 10 0 DGAERO C[C@H](N(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1(C)CC1 ZINC000248033238 432264258 /nfs/dbraw/zinc/26/42/58/432264258.db2.gz KQXFGEZBMRXXTR-XIRDDKMYSA-N 1 0 315.461 3.262 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccccn3)CC1)CC2 ZINC000173229411 432264547 /nfs/dbraw/zinc/26/45/47/432264547.db2.gz HDMZEEQNNAVOBD-IBGZPJMESA-N 1 0 323.440 3.336 10 0 DGAERO CCOc1ccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000248054866 432266011 /nfs/dbraw/zinc/26/60/11/432266011.db2.gz XFUOQTNOJHWOPW-LPHOPBHVSA-N 1 0 319.445 3.091 10 0 DGAERO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccs1 ZINC000248067160 432266138 /nfs/dbraw/zinc/26/61/38/432266138.db2.gz PWMFRSWPUMKXPF-QRTARXTBSA-N 1 0 314.454 3.413 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(Cc3csc(-c4ccoc4)n3)CC[C@H]21 ZINC000248072917 432267248 /nfs/dbraw/zinc/26/72/48/432267248.db2.gz MSEWIANXUGRJAN-XJKSGUPXSA-N 1 0 317.458 3.319 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)c1ccccc1C ZINC000173244724 432267571 /nfs/dbraw/zinc/26/75/71/432267571.db2.gz ABJAYSNDFQRUQZ-GVDBMIGSSA-N 1 0 315.461 3.324 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCCCCC2)[C@H]1c1ccccc1 ZINC000248071461 432267496 /nfs/dbraw/zinc/26/74/96/432267496.db2.gz QLVVIDHKHPQXHU-IAGOWNOFSA-N 1 0 301.434 3.017 10 0 DGAERO C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCCO1 ZINC000183196955 432267588 /nfs/dbraw/zinc/26/75/88/432267588.db2.gz PAIGHAZAZFVTRR-ZUZCIYMTSA-N 1 0 308.328 3.277 10 0 DGAERO Cc1ccc(C)c([C@@H]2C[N@H+](CCCn3ccnc3)[C@H](C)CO2)c1 ZINC000183181977 432267943 /nfs/dbraw/zinc/26/79/43/432267943.db2.gz XOLUSWKWPIXWKQ-MJGOQNOKSA-N 1 0 313.445 3.352 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](C[C@H]3CCC=CO3)C2)c1 ZINC000248754081 432315953 /nfs/dbraw/zinc/31/59/53/432315953.db2.gz CMYGJTPSWYRUGE-GDBMZVCRSA-N 1 0 303.402 3.186 10 0 DGAERO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc(F)cc1Cl ZINC000183684894 432316575 /nfs/dbraw/zinc/31/65/75/432316575.db2.gz CYGOEVQXPDLCRQ-JTQLQIEISA-N 1 0 321.783 3.431 10 0 DGAERO CC[C@@H](O)CN1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000174088994 432319519 /nfs/dbraw/zinc/31/95/19/432319519.db2.gz GBIYTKHULQTPNL-DAWZGUTISA-N 1 0 310.526 3.227 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000248811920 432319893 /nfs/dbraw/zinc/31/98/93/432319893.db2.gz COYPPIJUUBWPAI-RTBURBONSA-N 1 0 311.429 3.324 10 0 DGAERO Cc1c[nH+]ccc1NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000191980764 432319983 /nfs/dbraw/zinc/31/99/83/432319983.db2.gz FGBORRVSGOQFSX-ZBFHGGJFSA-N 1 0 317.458 3.325 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cc3ccccc3o2)CC[N@@H+]1C ZINC000174077330 432320198 /nfs/dbraw/zinc/32/01/98/432320198.db2.gz GNWXUIKYLBEPDV-HIFRSBDPSA-N 1 0 315.417 3.057 10 0 DGAERO CC1(C)CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000174123641 432322903 /nfs/dbraw/zinc/32/29/03/432322903.db2.gz WKGTYULQRHCSKQ-UHFFFAOYSA-N 1 0 307.482 3.129 10 0 DGAERO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248836324 432323105 /nfs/dbraw/zinc/32/31/05/432323105.db2.gz JZTVJSAAAWUQDZ-UKPHBRMFSA-N 1 0 317.404 3.489 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000248872633 432324867 /nfs/dbraw/zinc/32/48/67/432324867.db2.gz BHDKASOODHDUND-KGLIPLIRSA-N 1 0 321.465 3.032 10 0 DGAERO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000248877855 432325748 /nfs/dbraw/zinc/32/57/48/432325748.db2.gz JWZYAFLKHAGCSN-DOTOQJQBSA-N 1 0 303.377 3.413 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248871419 432326092 /nfs/dbraw/zinc/32/60/92/432326092.db2.gz JPJVPHNQYAAKAV-JHJVBQTASA-N 1 0 323.403 3.137 10 0 DGAERO CCn1cc([C@@H]2C[N@H+](C[C@H]3C(C)=CCC[C@@H]3C)CCO2)cn1 ZINC000248897962 432327242 /nfs/dbraw/zinc/32/72/42/432327242.db2.gz UNLRJDDXNQJBNI-SZMVWBNQSA-N 1 0 303.450 3.269 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nccn2-c2ccccc2)[C@@H](C)C1 ZINC000248897140 432327274 /nfs/dbraw/zinc/32/72/74/432327274.db2.gz UMKHXVLAYJUOBE-WMZOPIPTSA-N 1 0 312.461 3.034 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248908869 432328242 /nfs/dbraw/zinc/32/82/42/432328242.db2.gz VCCWPVOITNRGMU-UYHISHBKSA-N 1 0 302.418 3.253 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1 ZINC000174198281 432328245 /nfs/dbraw/zinc/32/82/45/432328245.db2.gz OKLIWSKEIQJXRF-WMZOPIPTSA-N 1 0 316.424 3.269 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1 ZINC000174198291 432328309 /nfs/dbraw/zinc/32/83/09/432328309.db2.gz OKLIWSKEIQJXRF-FUHWJXTLSA-N 1 0 316.424 3.269 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)c2nc(C)cs2)C12CCOCC2 ZINC000248904218 432328317 /nfs/dbraw/zinc/32/83/17/432328317.db2.gz ATUDVIOXFQNFJP-NWANDNLSSA-N 1 0 324.490 3.119 10 0 DGAERO O=C1O[C@@H](C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)CC12CCC2 ZINC000248907658 432328531 /nfs/dbraw/zinc/32/85/31/432328531.db2.gz WXWMIHIRFYUANF-DLBZAZTESA-N 1 0 317.404 3.318 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)c(F)c1 ZINC000174197822 432328790 /nfs/dbraw/zinc/32/87/90/432328790.db2.gz FCWHSHKDMSIVGU-GXTWGEPZSA-N 1 0 320.387 3.018 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](C[C@@H]3CC[C@@H](C)O3)C2)c1 ZINC000248957555 432330534 /nfs/dbraw/zinc/33/05/34/432330534.db2.gz OXMXKSPJUBMPPX-FMKPAKJESA-N 1 0 305.418 3.061 10 0 DGAERO CCC[C@H]([NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2)c1ccccn1 ZINC000248977343 432331514 /nfs/dbraw/zinc/33/15/14/432331514.db2.gz HWVSONJHRZVSJF-RCCFBDPRSA-N 1 0 318.461 3.487 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C12CCOCC2 ZINC000249064402 432336400 /nfs/dbraw/zinc/33/64/00/432336400.db2.gz ZDNIMKXVWMZJHO-HUHSQHJXSA-N 1 0 319.445 3.467 10 0 DGAERO COC(=O)c1cc(F)ccc1C[N@H+](C)C[C@H](C)c1nccs1 ZINC000183950570 432338015 /nfs/dbraw/zinc/33/80/15/432338015.db2.gz SBKYMTYGIDMAGM-NSHDSACASA-N 1 0 322.405 3.304 10 0 DGAERO CCCCc1noc([C@H](C)N2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152541395 432339088 /nfs/dbraw/zinc/33/90/88/432339088.db2.gz GQHJXHZOHOEXIT-ZFWWWQNUSA-N 1 0 316.405 3.022 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)CC2 ZINC000249123893 432339550 /nfs/dbraw/zinc/33/95/50/432339550.db2.gz QKLJJJBLLYDPMQ-RCCFBDPRSA-N 1 0 324.472 3.156 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ncc(C(C)C)s1 ZINC000249117919 432339636 /nfs/dbraw/zinc/33/96/36/432339636.db2.gz WNQRPEBISPCTRO-OLZOCXBDSA-N 1 0 322.478 3.357 10 0 DGAERO CCCCc1noc([C@@H](C)N2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152541286 432339815 /nfs/dbraw/zinc/33/98/15/432339815.db2.gz GQHJXHZOHOEXIT-HIFRSBDPSA-N 1 0 316.405 3.022 10 0 DGAERO CC(C)Cc1ccc(CCCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000152569025 432341654 /nfs/dbraw/zinc/34/16/54/432341654.db2.gz FMSXHXMWNVKLKQ-LJQANCHMSA-N 1 0 316.489 3.370 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1C ZINC000249269007 432343245 /nfs/dbraw/zinc/34/32/45/432343245.db2.gz ZVQAZIHCUQINJT-BLLLJJGKSA-N 1 0 303.381 3.073 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000249303286 432344016 /nfs/dbraw/zinc/34/40/16/432344016.db2.gz SPQVOHPQSMLSLR-WCQYABFASA-N 1 0 314.882 3.133 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2Cl)[C@H]1c1ccccc1 ZINC000249314010 432344304 /nfs/dbraw/zinc/34/43/04/432344304.db2.gz PAMSDZSJBNEZOF-ZIAGYGMSSA-N 1 0 304.777 3.108 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N(C)Cc2ccc(Cl)cc2)CC1 ZINC000174408165 432345890 /nfs/dbraw/zinc/34/58/90/432345890.db2.gz ONDLUMWJQQYOPB-UHFFFAOYSA-N 1 0 308.853 3.419 10 0 DGAERO CC[C@H]1CN(c2ccccc2)CCN1Cc1nnc(C(C)C)o1 ZINC000184017582 432346209 /nfs/dbraw/zinc/34/62/09/432346209.db2.gz DUYDNESLIJWXCX-HNNXBMFYSA-N 1 0 314.433 3.294 10 0 DGAERO CCCc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1 ZINC000249419017 432347345 /nfs/dbraw/zinc/34/73/45/432347345.db2.gz HCLJKDBGCZLNDV-GUDVDZBRSA-N 1 0 303.446 3.407 10 0 DGAERO CSC[C@H](O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000249478186 432347966 /nfs/dbraw/zinc/34/79/66/432347966.db2.gz UTKSCOVZQCTWGL-QWHCGFSZSA-N 1 0 314.520 3.170 10 0 DGAERO COCCC1(C[N@@H+]2CCS[C@H]3COCC[C@H]32)CCCCC1 ZINC000249459851 432348119 /nfs/dbraw/zinc/34/81/19/432348119.db2.gz FFDGWTIZDSAUPY-CVEARBPZSA-N 1 0 313.507 3.180 10 0 DGAERO COCCC1(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)CCCCC1 ZINC000249459856 432348482 /nfs/dbraw/zinc/34/84/82/432348482.db2.gz FFDGWTIZDSAUPY-HZPDHXFCSA-N 1 0 313.507 3.180 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H](O)CC(F)(F)F)C2)c1 ZINC000249488053 432349194 /nfs/dbraw/zinc/34/91/94/432349194.db2.gz USLSNVLQEUEABK-ZFWWWQNUSA-N 1 0 301.352 3.406 10 0 DGAERO CCOc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2CC)ccc1OC ZINC000184056306 432350612 /nfs/dbraw/zinc/35/06/12/432350612.db2.gz ROMXFZWSDYNOJB-IAGOWNOFSA-N 1 0 318.461 3.153 10 0 DGAERO Cc1ccc(CC[N@@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)cc1 ZINC000249543439 432350695 /nfs/dbraw/zinc/35/06/95/432350695.db2.gz FPVPAZOULUCNLZ-QZTJIDSGSA-N 1 0 301.455 3.307 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000152756027 432352348 /nfs/dbraw/zinc/35/23/48/432352348.db2.gz VMGTZKUXBATHNE-HNNXBMFYSA-N 1 0 314.404 3.443 10 0 DGAERO CC1CC[NH+](C2CCC(NC(=O)N(C)C3CCC3)CC2)CC1 ZINC000152743909 432352752 /nfs/dbraw/zinc/35/27/52/432352752.db2.gz LHSWRXCRURBLGH-UHFFFAOYSA-N 1 0 307.482 3.223 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000183578486 432304658 /nfs/dbraw/zinc/30/46/58/432304658.db2.gz KHRXBXKZWSODNF-NSHDSACASA-N 1 0 319.396 3.140 10 0 DGAERO C[C@@H]1C[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC(C)(C)C1 ZINC000248592901 432304920 /nfs/dbraw/zinc/30/49/20/432304920.db2.gz SCHXQVLNUAJTOM-QZWWFDLISA-N 1 0 306.494 3.392 10 0 DGAERO CCC[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCO1 ZINC000248608411 432305484 /nfs/dbraw/zinc/30/54/84/432305484.db2.gz VTGULLXXUYAKLH-MHORFTMASA-N 1 0 322.493 3.055 10 0 DGAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCC2=CCCC2)o1 ZINC000152128412 432306306 /nfs/dbraw/zinc/30/63/06/432306306.db2.gz ZFNYEPKQEZTGBX-UHFFFAOYSA-N 1 0 319.449 3.162 10 0 DGAERO O=C(NCCCC1CCCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173916391 432308164 /nfs/dbraw/zinc/30/81/64/432308164.db2.gz LVNITDSONKFYGB-QGZVFWFLSA-N 1 0 305.466 3.003 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000248654173 432310024 /nfs/dbraw/zinc/31/00/24/432310024.db2.gz PFMPBEWVYQOSNV-MOPGFXCFSA-N 1 0 320.477 3.067 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)nc1C ZINC000248650885 432310321 /nfs/dbraw/zinc/31/03/21/432310321.db2.gz MOQKKHXMXADLBO-OLZOCXBDSA-N 1 0 322.840 3.134 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191892394 432312304 /nfs/dbraw/zinc/31/23/04/432312304.db2.gz BZALRDRGIKDUGM-IAGOWNOFSA-N 1 0 302.462 3.292 10 0 DGAERO Cc1ccc(N2CC[C@@H](Nc3ccc4c(c3)C[N@H+](C)C4)C2=O)cc1 ZINC000173990153 432312634 /nfs/dbraw/zinc/31/26/34/432312634.db2.gz RYUULNJQONAGDG-LJQANCHMSA-N 1 0 321.424 3.158 10 0 DGAERO CCOc1ccc([C@@H](CC)[NH2+]Cc2ccnn2C)cc1OCC ZINC000152208637 432313969 /nfs/dbraw/zinc/31/39/69/432313969.db2.gz FCCZKGCMDQPSHR-MRXNPFEDSA-N 1 0 317.433 3.458 10 0 DGAERO COC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(Cl)cc1 ZINC000248732048 432315368 /nfs/dbraw/zinc/31/53/68/432315368.db2.gz LXWZELKOKDYVKT-QKPAOTATSA-N 1 0 309.837 3.431 10 0 DGAERO C[C@@H](C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21)c1cccnc1 ZINC000174032944 432315692 /nfs/dbraw/zinc/31/56/92/432315692.db2.gz KUGDETPAUGMTMV-QAPCUYQASA-N 1 0 321.424 3.196 10 0 DGAERO C[C@@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251890490 432371781 /nfs/dbraw/zinc/37/17/81/432371781.db2.gz VNEMLWUDVSCVQO-ZWNOBZJWSA-N 1 0 303.233 3.041 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)CC[C@H]1C ZINC000251946186 432373780 /nfs/dbraw/zinc/37/37/80/432373780.db2.gz UZLUKEMFQRRDKI-DVOMOZLQSA-N 1 0 322.474 3.092 10 0 DGAERO Cc1ccn(C)c1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000251936435 432373995 /nfs/dbraw/zinc/37/39/95/432373995.db2.gz UHITUGLMAACABU-SJORKVTESA-N 1 0 317.477 3.060 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCCc3ccccc31)CC2 ZINC000174850440 432374119 /nfs/dbraw/zinc/37/41/19/432374119.db2.gz MEEUKPZHTNKDDD-WBVHZDCISA-N 1 0 310.445 3.213 10 0 DGAERO Cc1ccccc1[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000175173323 432407149 /nfs/dbraw/zinc/40/71/49/432407149.db2.gz BVSHJDMSRMKEHK-FXAWDEMLSA-N 1 0 308.425 3.295 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252446648 432376754 /nfs/dbraw/zinc/37/67/54/432376754.db2.gz YOGBDCRRIUXDAE-BMFZPTHFSA-N 1 0 306.837 3.219 10 0 DGAERO CCn1cnnc1C1CC[NH+](CCCSCC(C)C)CC1 ZINC000153022641 432377296 /nfs/dbraw/zinc/37/72/96/432377296.db2.gz QCEDFSNPTQVJPR-UHFFFAOYSA-N 1 0 310.511 3.257 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)c(Cl)c1 ZINC000174979579 432384872 /nfs/dbraw/zinc/38/48/72/432384872.db2.gz RDWXUUXEZQMSMP-HUUCEWRRSA-N 1 0 306.837 3.347 10 0 DGAERO C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000192585821 432391098 /nfs/dbraw/zinc/39/10/98/432391098.db2.gz NLHSDORIYCRONF-OLZOCXBDSA-N 1 0 322.474 3.465 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(C(C)(C)C)n1 ZINC000175054111 432393276 /nfs/dbraw/zinc/39/32/76/432393276.db2.gz VPXQMZVDCCXOSA-HUUCEWRRSA-N 1 0 307.507 3.499 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)c1ccccc1F ZINC000253548155 432398734 /nfs/dbraw/zinc/39/87/34/432398734.db2.gz DPWYWCQVBKCRQN-RBSFLKMASA-N 1 0 304.409 3.014 10 0 DGAERO CCC[N@H+](CCc1cccs1)Cc1nnc(C2CC2)n1C ZINC000184503482 432398771 /nfs/dbraw/zinc/39/87/71/432398771.db2.gz VMSKLVVNCKBNLI-UHFFFAOYSA-N 1 0 304.463 3.209 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000192681635 432399890 /nfs/dbraw/zinc/39/98/90/432399890.db2.gz IPGQVMGFWJMOCC-QMEWPPBRSA-N 1 0 322.452 3.379 10 0 DGAERO CC(C)=C(F)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000153348588 432400407 /nfs/dbraw/zinc/40/04/07/432400407.db2.gz WWDCNWRWEPHMPW-UHFFFAOYSA-N 1 0 310.438 3.340 10 0 DGAERO Cn1c2ccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)cc2sc1=O ZINC000192695348 432401301 /nfs/dbraw/zinc/40/13/01/432401301.db2.gz JAGGNFJAHZGJIH-CQSZACIVSA-N 1 0 320.458 3.036 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000175157617 432404807 /nfs/dbraw/zinc/40/48/07/432404807.db2.gz XEQHIDSDZNMNJF-ZYHUDNBSSA-N 1 0 313.804 3.426 10 0 DGAERO CNC(=O)c1ccc(C[N@H+](C)C/C=C\c2ccccc2OC)cc1 ZINC000255024157 432406287 /nfs/dbraw/zinc/40/62/87/432406287.db2.gz FMARCSFGIDDJKO-VURMDHGXSA-N 1 0 324.424 3.200 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)CCSC)CC1 ZINC000184109348 432357373 /nfs/dbraw/zinc/35/73/73/432357373.db2.gz ZIUSEFZZNKWVJV-UHFFFAOYSA-N 1 0 300.512 3.100 10 0 DGAERO CCc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)CC)C2)n1 ZINC000249885194 432359601 /nfs/dbraw/zinc/35/96/01/432359601.db2.gz OVSYLVNJKCXGPA-MGPQQGTHSA-N 1 0 323.506 3.188 10 0 DGAERO CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249909278 432361729 /nfs/dbraw/zinc/36/17/29/432361729.db2.gz VRYKVLZIIAIOOU-LSDHHAIUSA-N 1 0 323.506 3.326 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000250092044 432363848 /nfs/dbraw/zinc/36/38/48/432363848.db2.gz QGTLSVTYMLYWBQ-MAAHGYRXSA-N 1 0 308.425 3.058 10 0 DGAERO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174678970 432364601 /nfs/dbraw/zinc/36/46/01/432364601.db2.gz UPLLRKUQADPVLY-IKGGRYGDSA-N 1 0 305.466 3.001 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ncc(Br)cc1F ZINC000250132113 432365578 /nfs/dbraw/zinc/36/55/78/432365578.db2.gz XGXRLFMQASLZRI-HOTUBEGUSA-N 1 0 317.202 3.201 10 0 DGAERO C[C@H]1CCc2c(C(=O)N3CCN4CCCC[C@H]4C3)csc2C1 ZINC000250303688 432367238 /nfs/dbraw/zinc/36/72/38/432367238.db2.gz ZEYQFPGLEWKLMA-KBPBESRZSA-N 1 0 318.486 3.183 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000184213443 432367429 /nfs/dbraw/zinc/36/74/29/432367429.db2.gz HDBSLRJOAXKDHP-JTQLQIEISA-N 1 0 320.742 3.183 10 0 DGAERO C[C@H]1C[C@H](NC(=O)NCc2ccc(C(F)F)cc2)C[N@@H+]1C1CC1 ZINC000184226441 432368686 /nfs/dbraw/zinc/36/86/86/432368686.db2.gz VYIYKHDFPBRYFJ-FZMZJTMJSA-N 1 0 323.387 3.049 10 0 DGAERO Cc1csc([C@H]2CCCN(CC[NH+]3CCC(C)CC3)C2)n1 ZINC000153652383 432429639 /nfs/dbraw/zinc/42/96/39/432429639.db2.gz HBBDRZHIBPMKRG-INIZCTEOSA-N 1 0 307.507 3.363 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NCc1ccccc1OCc1ccccc1 ZINC000261557042 432429684 /nfs/dbraw/zinc/42/96/84/432429684.db2.gz WTHAXDLKRNKTJJ-QFBILLFUSA-N 1 0 310.441 3.353 10 0 DGAERO CCC[C@H](C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)[NH+](C)C ZINC000153661863 432430131 /nfs/dbraw/zinc/43/01/31/432430131.db2.gz KVRUUZQKSJPOLN-MAUKXSAKSA-N 1 0 317.477 3.194 10 0 DGAERO Cc1csc(C2CCN(CC[NH+]3CCC(C)CC3)CC2)n1 ZINC000153652000 432430918 /nfs/dbraw/zinc/43/09/18/432430918.db2.gz APFCCKWOFGYPFR-UHFFFAOYSA-N 1 0 307.507 3.363 10 0 DGAERO c1ccc2cc(CN3CC[NH2+]C[C@H]3c3cccnc3)ccc2c1 ZINC000261606853 432432122 /nfs/dbraw/zinc/43/21/22/432432122.db2.gz BHFAWWJPYWDQSM-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)cc1 ZINC000192944111 432432654 /nfs/dbraw/zinc/43/26/54/432432654.db2.gz RUSXEBZCZGJCKK-ZIAGYGMSSA-N 1 0 309.417 3.326 10 0 DGAERO CC(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000184794927 432432853 /nfs/dbraw/zinc/43/28/53/432432853.db2.gz ZKJRXFFZYMNPSN-JZXOWHBKSA-N 1 0 317.477 3.090 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cc(F)ccc12 ZINC000192966806 432435534 /nfs/dbraw/zinc/43/55/34/432435534.db2.gz AUMIXMQOQIBJCX-KGLIPLIRSA-N 1 0 315.392 3.006 10 0 DGAERO CC[NH2+]CC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000261619604 432435825 /nfs/dbraw/zinc/43/58/25/432435825.db2.gz ARGSHYJISLHALF-UHFFFAOYSA-N 1 0 317.408 3.302 10 0 DGAERO CSCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000184814293 432436162 /nfs/dbraw/zinc/43/61/62/432436162.db2.gz VELCRVODTSZZND-DZGCQCFKSA-N 1 0 321.490 3.496 10 0 DGAERO CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@H]1CCC[N@H+](C)C1 ZINC000153726582 432437229 /nfs/dbraw/zinc/43/72/29/432437229.db2.gz POASJZADBLUQIA-ZDUSSCGKSA-N 1 0 306.793 3.252 10 0 DGAERO COc1ccc([C@H](C)NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000261658356 432438648 /nfs/dbraw/zinc/43/86/48/432438648.db2.gz FXNMWNCQUXRDPP-IPYPFGDCSA-N 1 0 322.424 3.037 10 0 DGAERO O=C(Cc1ccccc1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261662886 432438980 /nfs/dbraw/zinc/43/89/80/432438980.db2.gz FUTXFUPGEREGNH-QGZVFWFLSA-N 1 0 314.816 3.056 10 0 DGAERO CCCCOc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(Cl)c1 ZINC000184857444 432439300 /nfs/dbraw/zinc/43/93/00/432439300.db2.gz NSTBFCNJOIHXBT-CYBMUJFWSA-N 1 0 324.852 3.295 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(F)cc1Cl ZINC000261656130 432439461 /nfs/dbraw/zinc/43/94/61/432439461.db2.gz NETOHEHGLWOBQZ-BTOWRCTQSA-N 1 0 310.800 3.115 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175475214 432439906 /nfs/dbraw/zinc/43/99/06/432439906.db2.gz ROVYJUOJTGDFCV-XHSDSOJGSA-N 1 0 303.450 3.228 10 0 DGAERO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261673300 432441248 /nfs/dbraw/zinc/44/12/48/432441248.db2.gz AFCHABPSTGLCHC-WBVHZDCISA-N 1 0 306.475 3.001 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000184878766 432441371 /nfs/dbraw/zinc/44/13/71/432441371.db2.gz GYAPVHSOSHIEMX-HZPDHXFCSA-N 1 0 315.461 3.423 10 0 DGAERO CCc1oc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1C ZINC000261700837 432442461 /nfs/dbraw/zinc/44/24/61/432442461.db2.gz JOBHKMNEXKAPHG-UHFFFAOYSA-N 1 0 302.349 3.188 10 0 DGAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(C)s1 ZINC000261717703 432443499 /nfs/dbraw/zinc/44/34/99/432443499.db2.gz MZONTOWVRHXBSB-MRXNPFEDSA-N 1 0 302.443 3.212 10 0 DGAERO CC(C)[C@@](C)(O)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000184913216 432444359 /nfs/dbraw/zinc/44/43/59/432444359.db2.gz PAINTIVRXJGDOQ-SFHVURJKSA-N 1 0 302.418 3.414 10 0 DGAERO C[NH2+][C@@H](C)Cc1noc(-c2ccccc2Cc2ccccc2)n1 ZINC000261730924 432444744 /nfs/dbraw/zinc/44/47/44/432444744.db2.gz KDVXYDQMXYJCDB-AWEZNQCLSA-N 1 0 307.397 3.478 10 0 DGAERO Cc1ccc(OCCc2nc(C3([NH3+])CCCC3)no2)cc1C ZINC000261750997 432445773 /nfs/dbraw/zinc/44/57/73/432445773.db2.gz LSUWQVHRUMFQAG-UHFFFAOYSA-N 1 0 301.390 3.036 10 0 DGAERO C[NH2+][C@@H](C)Cc1noc(CSc2ccc3c(c2)CCC3)n1 ZINC000261742992 432445832 /nfs/dbraw/zinc/44/58/32/432445832.db2.gz LGBOHTBCDPNDCN-NSHDSACASA-N 1 0 303.431 3.001 10 0 DGAERO COc1cc2c(cc1OC)C[N@H+](Cc1cccc3c1NCC3)CC2 ZINC000261774057 432447592 /nfs/dbraw/zinc/44/75/92/432447592.db2.gz XGRCFJGGUVKBBA-UHFFFAOYSA-N 1 0 324.424 3.230 10 0 DGAERO [NH3+]C1(c2noc([C@H]3Cc4cc(Cl)ccc4O3)n2)CCCC1 ZINC000261776914 432449209 /nfs/dbraw/zinc/44/92/09/432449209.db2.gz NNMGOCNMQXZVOS-GFCCVEGCSA-N 1 0 305.765 3.127 10 0 DGAERO c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261839514 432454444 /nfs/dbraw/zinc/45/44/44/432454444.db2.gz AGMVJKNWNBLLJN-GVDBMIGSSA-N 1 0 316.470 3.148 10 0 DGAERO FC(F)(F)c1cccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261844742 432454987 /nfs/dbraw/zinc/45/49/87/432454987.db2.gz URYIEUOOTVVICF-MRXNPFEDSA-N 1 0 321.346 3.247 10 0 DGAERO CCCOc1ccc([C@H](C)NC(=O)C[C@H](C)[NH3+])cc1OCCC ZINC000261853823 432455876 /nfs/dbraw/zinc/45/58/76/432455876.db2.gz PCOOXSFLPAIOOM-KBPBESRZSA-N 1 0 322.449 3.179 10 0 DGAERO CCC[C@@H](C(=O)NCc1ccc(C)cc1OCC1CC1)[NH+](C)C ZINC000153464088 432412199 /nfs/dbraw/zinc/41/21/99/432412199.db2.gz AAWJCLBJJULFSA-KRWDZBQOSA-N 1 0 318.461 3.130 10 0 DGAERO COc1ccccc1[C@@H](NC(=O)CC[C@@H](C)[NH3+])c1ccccc1 ZINC000193246826 432458647 /nfs/dbraw/zinc/45/86/47/432458647.db2.gz XEBZCSDRXHEOJU-KUHUBIRLSA-N 1 0 312.413 3.028 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc(Cl)c1 ZINC000192812457 432419219 /nfs/dbraw/zinc/41/92/19/432419219.db2.gz UJENWYFSCXGKOQ-CZUORRHYSA-N 1 0 316.836 3.450 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000192813363 432419502 /nfs/dbraw/zinc/41/95/02/432419502.db2.gz RIDIRSZSKYRILT-YJBOKZPZSA-N 1 0 310.445 3.359 10 0 DGAERO C[C@H](c1cccc(F)c1)N1CCN([C@@H](C)c2cnccn2)CC1 ZINC000184684306 432421379 /nfs/dbraw/zinc/42/13/79/432421379.db2.gz ZMRAGONVJWVIEE-CABCVRRESA-N 1 0 314.408 3.056 10 0 DGAERO CC[C@@H]1C[N@H+](CCSc2ccccc2)CCN1CC(F)F ZINC000153595128 432422922 /nfs/dbraw/zinc/42/29/22/432422922.db2.gz HOAAKMIMSGQUBR-CQSZACIVSA-N 1 0 314.445 3.440 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1cccc(Cl)c1C ZINC000175357643 432427170 /nfs/dbraw/zinc/42/71/70/432427170.db2.gz CAOPQLUZYSHOFY-CQSZACIVSA-N 1 0 323.868 3.003 10 0 DGAERO C[C@@H](C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1)C1C[NH2+]C1 ZINC000262059418 432471230 /nfs/dbraw/zinc/47/12/30/432471230.db2.gz IJIHESDCYOOFFS-ACJLOTCBSA-N 1 0 311.429 3.077 10 0 DGAERO COC[C@@](C)(CCO)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000175854255 432472036 /nfs/dbraw/zinc/47/20/36/432472036.db2.gz SVKKFWNNNQBZOM-LJQANCHMSA-N 1 0 315.413 3.356 10 0 DGAERO [NH3+]C1(C(=O)Nc2ccc(SC3CCCC3)cc2)CCOCC1 ZINC000262071686 432473607 /nfs/dbraw/zinc/47/36/07/432473607.db2.gz GDHKOTXFJZDRAB-UHFFFAOYSA-N 1 0 320.458 3.168 10 0 DGAERO Cn1cccc1C(=O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000193436998 432474106 /nfs/dbraw/zinc/47/41/06/432474106.db2.gz KYJAOMVKZFAWPW-INIZCTEOSA-N 1 0 300.377 3.054 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc4ccccc43)CC[C@@H]21 ZINC000154133057 432474535 /nfs/dbraw/zinc/47/45/35/432474535.db2.gz KDTCWYSLLLURPN-APWZRJJASA-N 1 0 308.425 3.396 10 0 DGAERO CCC[C@H]1C[NH2+]CCN1Cc1sc(C)nc1C(F)(F)F ZINC000262116252 432475575 /nfs/dbraw/zinc/47/55/75/432475575.db2.gz LIDWJPOECQEHRG-JTQLQIEISA-N 1 0 307.385 3.044 10 0 DGAERO CCC1(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000175897120 432475734 /nfs/dbraw/zinc/47/57/34/432475734.db2.gz SMBOZWPWUIMGJT-UHFFFAOYSA-N 1 0 315.461 3.414 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3cccnc3)C2)c1 ZINC000154147415 432477475 /nfs/dbraw/zinc/47/74/75/432477475.db2.gz RDWZPOXCSBTRBZ-JKSUJKDBSA-N 1 0 311.429 3.267 10 0 DGAERO CC[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000262245649 432478257 /nfs/dbraw/zinc/47/82/57/432478257.db2.gz RCLJTTOVIXCBFI-SPUZQDLCSA-N 1 0 300.446 3.217 10 0 DGAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000262211077 432478991 /nfs/dbraw/zinc/47/89/91/432478991.db2.gz OCCUYLNHNYKTIQ-HZPDHXFCSA-N 1 0 317.433 3.190 10 0 DGAERO CC(C)c1csc(NC(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC000193519627 432479560 /nfs/dbraw/zinc/47/95/60/432479560.db2.gz SJIMUNBWCWMQED-UHFFFAOYSA-N 1 0 322.478 3.262 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000185244028 432483028 /nfs/dbraw/zinc/48/30/28/432483028.db2.gz BNYDZKBCSRCWIY-OAHLLOKOSA-N 1 0 303.450 3.370 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185266886 432484457 /nfs/dbraw/zinc/48/44/57/432484457.db2.gz YFGYIPRHFXQTBP-WBVHZDCISA-N 1 0 321.440 3.116 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@H]1C(C)C ZINC000185284095 432485880 /nfs/dbraw/zinc/48/58/80/432485880.db2.gz VBJDWHHDOTWLCT-ZWKOTPCHSA-N 1 0 302.462 3.389 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CC[NH2+]1 ZINC000262471803 432487506 /nfs/dbraw/zinc/48/75/06/432487506.db2.gz WXWSZKZMJYWWMT-MCMJNGCASA-N 1 0 304.478 3.049 10 0 DGAERO C[C@@H](C1CC1)N(C(=O)CN1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000193700551 432491100 /nfs/dbraw/zinc/49/11/00/432491100.db2.gz UWCNHUOQSFYXCY-AAEUAGOBSA-N 1 0 318.383 3.050 10 0 DGAERO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)cc12 ZINC000193703319 432491994 /nfs/dbraw/zinc/49/19/94/432491994.db2.gz UJZAIFVHEIYPDH-GFCCVEGCSA-N 1 0 312.339 3.051 10 0 DGAERO CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000262580262 432492785 /nfs/dbraw/zinc/49/27/85/432492785.db2.gz YUQDAFHBIWLGLY-HNNXBMFYSA-N 1 0 317.458 3.033 10 0 DGAERO C[C@@H](CC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)C1CC[NH2+]CC1 ZINC000262599837 432493319 /nfs/dbraw/zinc/49/33/19/432493319.db2.gz BGDSHCDYQMTGJS-MQWKBWCOSA-N 1 0 304.478 3.049 10 0 DGAERO CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262618577 432494044 /nfs/dbraw/zinc/49/40/44/432494044.db2.gz HGWMYHZOCYVHNZ-MGDNZTJNSA-N 1 0 322.493 3.090 10 0 DGAERO [NH3+]C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000262611696 432494130 /nfs/dbraw/zinc/49/41/30/432494130.db2.gz XBUFTXBVZVHEQW-ULQDDVLXSA-N 1 0 320.864 3.467 10 0 DGAERO CCC[C@@H](C(=O)Nc1cccc(-c2nc(C)co2)c1)[NH+](C)C ZINC000154383805 432494501 /nfs/dbraw/zinc/49/45/01/432494501.db2.gz NXLCCFHOSGDNKQ-HNNXBMFYSA-N 1 0 301.390 3.319 10 0 DGAERO O=C(NCCC1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193832980 432502894 /nfs/dbraw/zinc/50/28/94/432502894.db2.gz MHDNBZGDQUBGJB-UHFFFAOYSA-N 1 0 307.482 3.084 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000262818218 432503493 /nfs/dbraw/zinc/50/34/93/432503493.db2.gz PHGQJPGHDMQSES-RHSMWYFYSA-N 1 0 318.436 3.142 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1SC ZINC000176261447 432503704 /nfs/dbraw/zinc/50/37/04/432503704.db2.gz IGTJLGNGUKCSAD-ZDUSSCGKSA-N 1 0 307.463 3.357 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(F)cc(F)c1 ZINC000176272878 432505387 /nfs/dbraw/zinc/50/53/87/432505387.db2.gz GCJTYIPHVFCBNW-LRDDRELGSA-N 1 0 318.371 3.074 10 0 DGAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000262928542 432508967 /nfs/dbraw/zinc/50/89/67/432508967.db2.gz HPHKIXXRLGBRIA-QAPCUYQASA-N 1 0 317.433 3.127 10 0 DGAERO CCCOc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000176290010 432509142 /nfs/dbraw/zinc/50/91/42/432509142.db2.gz OUBPXMKFACJLBI-INIZCTEOSA-N 1 0 319.449 3.423 10 0 DGAERO CCOc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000176313396 432509959 /nfs/dbraw/zinc/50/99/59/432509959.db2.gz XVDFJEVBBLHAIR-OAHLLOKOSA-N 1 0 305.422 3.033 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000154627976 432511620 /nfs/dbraw/zinc/51/16/20/432511620.db2.gz HVBGSGCIWUUICO-NVXWUHKLSA-N 1 0 320.477 3.389 10 0 DGAERO c1ccc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261920692 432462021 /nfs/dbraw/zinc/46/20/21/432462021.db2.gz KGTJTOAGXUWJLU-XUVXKRRUSA-N 1 0 310.441 3.087 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000185067316 432462648 /nfs/dbraw/zinc/46/26/48/432462648.db2.gz VGMYAZIFNGPWCE-JKSUJKDBSA-N 1 0 306.425 3.008 10 0 DGAERO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261948949 432464136 /nfs/dbraw/zinc/46/41/36/432464136.db2.gz NZTWGUVVMJYKAF-BHIYHBOVSA-N 1 0 316.489 3.019 10 0 DGAERO CCN(CCc1cccs1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261954174 432464190 /nfs/dbraw/zinc/46/41/90/432464190.db2.gz QKHSLPSVUGTQJK-BMFZPTHFSA-N 1 0 306.475 3.060 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000262008871 432468222 /nfs/dbraw/zinc/46/82/22/432468222.db2.gz WBTKNZOOMBNTKN-JKOKRWQUSA-N 1 0 314.351 3.400 10 0 DGAERO CCN(Cc1ccccc1Br)C[C@]1(C)CC[NH2+]C1 ZINC000262010830 432468296 /nfs/dbraw/zinc/46/82/96/432468296.db2.gz MFUSUWPCJXFCMH-OAHLLOKOSA-N 1 0 311.267 3.271 10 0 DGAERO CCCCOC[C@@H](O)C[N@H+](CC)Cc1ccc(Cl)s1 ZINC000193367090 432468587 /nfs/dbraw/zinc/46/85/87/432468587.db2.gz MQOLICHPZADOEH-LBPRGKRZSA-N 1 0 305.871 3.401 10 0 DGAERO C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000262017600 432469234 /nfs/dbraw/zinc/46/92/34/432469234.db2.gz XDAHVNBSOTZETN-QWRGUYRKSA-N 1 0 315.339 3.215 10 0 DGAERO CC(C)c1nc([C@H]2CCCCCN2C[C@H]2CCC[NH2+]C2)no1 ZINC000262035863 432470548 /nfs/dbraw/zinc/47/05/48/432470548.db2.gz XSSSPDYSVAISDP-LSDHHAIUSA-N 1 0 306.454 3.110 10 0 DGAERO CCc1nnc(C[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)n1C ZINC000185954608 432549105 /nfs/dbraw/zinc/54/91/05/432549105.db2.gz YBFDWKVOYFDFDF-HNNXBMFYSA-N 1 0 312.461 3.368 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155502965 432557348 /nfs/dbraw/zinc/55/73/48/432557348.db2.gz IBZYYUBBJHYTOJ-RYRKJORJSA-N 1 0 302.462 3.334 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000176850958 432557808 /nfs/dbraw/zinc/55/78/08/432557808.db2.gz SNWMRQSZUGPGKN-NSHDSACASA-N 1 0 318.314 3.059 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000186103690 432558967 /nfs/dbraw/zinc/55/89/67/432558967.db2.gz ISCDXRYOOGWYQJ-GFCCVEGCSA-N 1 0 314.414 3.188 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C/C=C/c2cccc(F)c2)CC[N@@H+]1C ZINC000176869643 432561496 /nfs/dbraw/zinc/56/14/96/432561496.db2.gz LIUSZABXJXSMQE-YCVPZWQRSA-N 1 0 304.409 3.170 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000155595544 432561981 /nfs/dbraw/zinc/56/19/81/432561981.db2.gz BPMPTDYSZUGWMG-FZMZJTMJSA-N 1 0 314.351 3.164 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(F)ccc1Cl ZINC000176342964 432513480 /nfs/dbraw/zinc/51/34/80/432513480.db2.gz RUIZIDMEFCRYNV-LBPRGKRZSA-N 1 0 313.804 3.427 10 0 DGAERO CCC(CC)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000193978262 432514214 /nfs/dbraw/zinc/51/42/14/432514214.db2.gz HQSONNYPQPUZFY-UHFFFAOYSA-N 1 0 303.450 3.203 10 0 DGAERO CC(C)C1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000176358057 432515349 /nfs/dbraw/zinc/51/53/49/432515349.db2.gz MYWDIEFUWOSCOX-INIZCTEOSA-N 1 0 307.482 3.083 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]CCCOC(F)F)C(C)C ZINC000194024832 432517744 /nfs/dbraw/zinc/51/77/44/432517744.db2.gz UXSSJNBFQBBAFJ-CQSZACIVSA-N 1 0 301.377 3.481 10 0 DGAERO Cc1ccc(CN(C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000194070606 432521777 /nfs/dbraw/zinc/52/17/77/432521777.db2.gz QGGNKMXGYXNBAG-OAHLLOKOSA-N 1 0 321.465 3.384 10 0 DGAERO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@@H](c1ccccc1)N(C)C ZINC000185674249 432522634 /nfs/dbraw/zinc/52/26/34/432522634.db2.gz DKASHCIDYHHQOB-LIRRHRJNSA-N 1 0 308.429 3.344 10 0 DGAERO CC(C)[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000176455116 432523588 /nfs/dbraw/zinc/52/35/88/432523588.db2.gz BPWWDEVTBPAJBR-CVEARBPZSA-N 1 0 308.853 3.242 10 0 DGAERO CCCn1cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)cn1 ZINC000185686141 432524295 /nfs/dbraw/zinc/52/42/95/432524295.db2.gz KKUSOPJXRXVNQG-YJBOKZPZSA-N 1 0 300.450 3.074 10 0 DGAERO CC(C)C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000194173473 432529645 /nfs/dbraw/zinc/52/96/45/432529645.db2.gz DHTPOLDCHBXUDB-CYBMUJFWSA-N 1 0 308.388 3.154 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1ccc(F)cc1F)CC2 ZINC000154939553 432529819 /nfs/dbraw/zinc/52/98/19/432529819.db2.gz YIKGROOMVZEJLG-IUODEOHRSA-N 1 0 320.387 3.174 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1scnc1C(C)(C)C ZINC000176558930 432533330 /nfs/dbraw/zinc/53/33/30/432533330.db2.gz CWYZIXXNYPKCNO-GFCCVEGCSA-N 1 0 309.479 3.045 10 0 DGAERO Cc1ccccc1SCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000194219309 432533804 /nfs/dbraw/zinc/53/38/04/432533804.db2.gz UZQVSOHCEFMYFD-UHFFFAOYSA-N 1 0 318.486 3.078 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000194631867 432564681 /nfs/dbraw/zinc/56/46/81/432564681.db2.gz HWDMDAQIGUXTRZ-NSHDSACASA-N 1 0 315.244 3.136 10 0 DGAERO O=C(CN1CCC[C@H](C(F)(F)F)C1)NCCC1=CCCCC1 ZINC000194273865 432536019 /nfs/dbraw/zinc/53/60/19/432536019.db2.gz XGCSQQVIXJNGEF-AWEZNQCLSA-N 1 0 318.383 3.267 10 0 DGAERO [NH3+]C1(C(=O)Nc2cccc(C(F)F)c2)Cc2ccccc2C1 ZINC000155063671 432537563 /nfs/dbraw/zinc/53/75/63/432537563.db2.gz ZRNCYDBNSYHMBB-UHFFFAOYSA-N 1 0 302.324 3.059 10 0 DGAERO Cc1ccc(CN(C)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000194289329 432537916 /nfs/dbraw/zinc/53/79/16/432537916.db2.gz KFXMZQCZAXFNLC-QLFBSQMISA-N 1 0 321.465 3.096 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000155097182 432538194 /nfs/dbraw/zinc/53/81/94/432538194.db2.gz ZAKYOWHQADGILW-HRYATBACSA-N 1 0 322.452 3.494 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000194308052 432540246 /nfs/dbraw/zinc/54/02/46/432540246.db2.gz FMJGEELOLOEIDG-CQSZACIVSA-N 1 0 314.433 3.267 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)ccc1C ZINC000194339537 432542735 /nfs/dbraw/zinc/54/27/35/432542735.db2.gz FRMQTGCTDLQSGZ-ZDUSSCGKSA-N 1 0 301.434 3.075 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000194351081 432543259 /nfs/dbraw/zinc/54/32/59/432543259.db2.gz IKGXLXZEKXIJLF-SWLSCSKDSA-N 1 0 300.406 3.114 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2OC(C)C)C1 ZINC000194341710 432543631 /nfs/dbraw/zinc/54/36/31/432543631.db2.gz MIMOUNFMORRZRI-AWEZNQCLSA-N 1 0 305.422 3.080 10 0 DGAERO Cc1cc(NC(=O)CC[N@@H+](C)[C@H](C)Cc2ccc(C)cc2)no1 ZINC000156839348 432607669 /nfs/dbraw/zinc/60/76/69/432607669.db2.gz ZTAGETWQOZDIGS-CQSZACIVSA-N 1 0 315.417 3.183 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000195180678 432610348 /nfs/dbraw/zinc/61/03/48/432610348.db2.gz RDWOOGHGHOAIDZ-BMGDILEWSA-N 1 0 309.425 3.386 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000177312603 432611135 /nfs/dbraw/zinc/61/11/35/432611135.db2.gz QHURESQFFXQNNN-ZFWWWQNUSA-N 1 0 314.433 3.076 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1cccc(Cl)c1 ZINC000177310482 432611327 /nfs/dbraw/zinc/61/13/27/432611327.db2.gz FNCGHOUJWUGVQA-MRXNPFEDSA-N 1 0 323.868 3.008 10 0 DGAERO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@]1(CCO)CCOC1 ZINC000186195999 432568187 /nfs/dbraw/zinc/56/81/87/432568187.db2.gz QUBHMNDEPGZIJT-PKOBYXMFSA-N 1 0 303.446 3.060 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000176963150 432571269 /nfs/dbraw/zinc/57/12/69/432571269.db2.gz OUHHPACFUFISBM-QFQMRYFISA-N 1 0 323.440 3.191 10 0 DGAERO Cc1ccc(CCCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000155765310 432572452 /nfs/dbraw/zinc/57/24/52/432572452.db2.gz GRULIYIHSMUAJU-RTBURBONSA-N 1 0 314.473 3.260 10 0 DGAERO C[C@@H](c1ccccn1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000176990658 432572497 /nfs/dbraw/zinc/57/24/97/432572497.db2.gz HCHHFMCZIQRESN-AWEZNQCLSA-N 1 0 307.401 3.065 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)Cc1ccccc1 ZINC000177024219 432575454 /nfs/dbraw/zinc/57/54/54/432575454.db2.gz OYITYIXUJXQYBT-QGZVFWFLSA-N 1 0 302.462 3.198 10 0 DGAERO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(CO)c(F)c1 ZINC000194863704 432582006 /nfs/dbraw/zinc/58/20/06/432582006.db2.gz BXEGFIDJGPAZKA-SFHVURJKSA-N 1 0 315.388 3.494 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C12CCOCC2 ZINC000186331249 432582832 /nfs/dbraw/zinc/58/28/32/432582832.db2.gz KJMBWXGKXUIFRG-ZWKOTPCHSA-N 1 0 321.436 3.322 10 0 DGAERO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000177087453 432584383 /nfs/dbraw/zinc/58/43/83/432584383.db2.gz QXSPPLQEEFAEEG-LSDHHAIUSA-N 1 0 303.450 3.015 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCCNc2ccccc2)C12CCOCC2 ZINC000186345913 432584749 /nfs/dbraw/zinc/58/47/49/432584749.db2.gz BDVOQCKTSKGQHV-MSOLQXFVSA-N 1 0 318.461 3.052 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)CC1CCOCC1 ZINC000156135214 432588637 /nfs/dbraw/zinc/58/86/37/432588637.db2.gz AWEWQILBIYVKQS-UHFFFAOYSA-N 1 0 318.461 3.108 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)c2ccc(F)cc2)CC1 ZINC000194943175 432588834 /nfs/dbraw/zinc/58/88/34/432588834.db2.gz AAVGBNYHKQYQAC-UHFFFAOYSA-N 1 0 307.413 3.094 10 0 DGAERO CC(C)COC1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000194968095 432590677 /nfs/dbraw/zinc/59/06/77/432590677.db2.gz CRWATXIOYFAOML-UHFFFAOYSA-N 1 0 305.418 3.095 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)cc(OC)c2)C12CCOCC2 ZINC000186429287 432593861 /nfs/dbraw/zinc/59/38/61/432593861.db2.gz DAENXPODNZSREE-ZWKOTPCHSA-N 1 0 319.445 3.067 10 0 DGAERO CC(C)OCc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000195041366 432596424 /nfs/dbraw/zinc/59/64/24/432596424.db2.gz HOHTZICVFQFJJC-UHFFFAOYSA-N 1 0 319.449 3.170 10 0 DGAERO Cn1c(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)nnc1C1CC1 ZINC000195091328 432602427 /nfs/dbraw/zinc/60/24/27/432602427.db2.gz OBVUKFJRNQLDTB-QGZVFWFLSA-N 1 0 310.445 3.290 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000177419222 432622003 /nfs/dbraw/zinc/62/20/03/432622003.db2.gz FPKSXZIIGUUFSW-FUHWJXTLSA-N 1 0 317.477 3.052 10 0 DGAERO CCc1nnc(C[N@@H+](CC)[C@H](CC)Cc2ccccc2)n1C ZINC000177437343 432623917 /nfs/dbraw/zinc/62/39/17/432623917.db2.gz WXHUXYWTYUNZTN-MRXNPFEDSA-N 1 0 300.450 3.221 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2cn3cc(Cl)ccc3n2)s1 ZINC000157577046 432624367 /nfs/dbraw/zinc/62/43/67/432624367.db2.gz XYAPRJMJTPVANH-UHFFFAOYSA-N 1 0 320.849 3.427 10 0 DGAERO COc1cccc(/C(C)=C/C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000177447971 432624701 /nfs/dbraw/zinc/62/47/01/432624701.db2.gz FWRFQLXUEXMPSH-ZTMPEJBFSA-N 1 0 316.445 3.040 10 0 DGAERO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1nnc(C)n1CC ZINC000177440120 432625206 /nfs/dbraw/zinc/62/52/06/432625206.db2.gz IVQPKZJSPDTYQD-QGZVFWFLSA-N 1 0 300.450 3.450 10 0 DGAERO CCC1CCC(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000157873538 432630105 /nfs/dbraw/zinc/63/01/05/432630105.db2.gz YXZPXSUDWREWJK-AQFXKWCLSA-N 1 0 309.498 3.232 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(SC)c1 ZINC000177497679 432630287 /nfs/dbraw/zinc/63/02/87/432630287.db2.gz LFVXSKLUWSLFHU-HUUCEWRRSA-N 1 0 319.474 3.499 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)ccc1C ZINC000177503108 432631136 /nfs/dbraw/zinc/63/11/36/432631136.db2.gz WMBOYKFZNVPFOB-HUUCEWRRSA-N 1 0 305.397 3.225 10 0 DGAERO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)CC1(CO)CC1 ZINC000186803566 432632550 /nfs/dbraw/zinc/63/25/50/432632550.db2.gz DNBJTNNFVTXKPM-UHFFFAOYSA-N 1 0 317.351 3.179 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC2=CCCCC2)[C@H](C)C1 ZINC000157952286 432634052 /nfs/dbraw/zinc/63/40/52/432634052.db2.gz UYDFMAMZZRTTML-NVXWUHKLSA-N 1 0 307.482 3.249 10 0 DGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000186850329 432634148 /nfs/dbraw/zinc/63/41/48/432634148.db2.gz PYGKYTABSMHPLM-LSDHHAIUSA-N 1 0 303.512 3.396 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000177545974 432636754 /nfs/dbraw/zinc/63/67/54/432636754.db2.gz LDSXOOLRVMFPAA-GBJTYRQASA-N 1 0 322.399 3.057 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)[C@H](C)C1 ZINC000186957887 432639764 /nfs/dbraw/zinc/63/97/64/432639764.db2.gz JNIZKXVLFWZMJY-UTSKFRMZSA-N 1 0 309.498 3.183 10 0 DGAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC000177606903 432640283 /nfs/dbraw/zinc/64/02/83/432640283.db2.gz CNLSCMLNSBZFNK-KGLIPLIRSA-N 1 0 306.425 3.092 10 0 DGAERO c1ccc(COc2ccc(-c3n[nH]c4c3C[NH2+]CC4)cc2)cc1 ZINC000211841763 432640615 /nfs/dbraw/zinc/64/06/15/432640615.db2.gz KHXSAEGJTBVWFO-UHFFFAOYSA-N 1 0 305.381 3.301 10 0 DGAERO COc1cccc([C@@H](C)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000177618893 432643847 /nfs/dbraw/zinc/64/38/47/432643847.db2.gz FNAVYIXLKAOOJJ-RDJZCZTQSA-N 1 0 320.477 3.281 10 0 DGAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000177660455 432646408 /nfs/dbraw/zinc/64/64/08/432646408.db2.gz AHSZLPAMERVXBW-GOSISDBHSA-N 1 0 310.397 3.189 10 0 DGAERO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](C)COC ZINC000187100043 432647220 /nfs/dbraw/zinc/64/72/20/432647220.db2.gz GZADMHWSIYAFGV-RHSMWYFYSA-N 1 0 301.434 3.476 10 0 DGAERO Cc1nc2ccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)cc2s1 ZINC000236004760 282069299 /nfs/dbraw/zinc/06/92/99/282069299.db2.gz OEKAOLXUUDDHGV-CQSZACIVSA-N 1 0 303.431 3.321 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(Cc3nc(C(C)(C)C)cs3)CC[C@H]21 ZINC000158534527 432649178 /nfs/dbraw/zinc/64/91/78/432649178.db2.gz QDFQZRGXPFNSOK-ZIAGYGMSSA-N 1 0 307.507 3.357 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H]3CCc4ccc(F)cc43)C2)no1 ZINC000177698792 432651970 /nfs/dbraw/zinc/65/19/70/432651970.db2.gz VMWCKJRJMNQQRN-CXAGYDPISA-N 1 0 315.392 3.459 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000158647977 432653602 /nfs/dbraw/zinc/65/36/02/432653602.db2.gz DLFJNHZSYNRQFL-KBPBESRZSA-N 1 0 321.490 3.356 10 0 DGAERO C[C@H](C(=O)N1Cc2ccccc2C2(CC2)C1)[NH+]1CCCCCC1 ZINC000187295015 432656161 /nfs/dbraw/zinc/65/61/61/432656161.db2.gz DDSFEJULJCCJMC-MRXNPFEDSA-N 1 0 312.457 3.325 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000177747213 432658092 /nfs/dbraw/zinc/65/80/92/432658092.db2.gz BYJUAVDDGMYOPC-LBPRGKRZSA-N 1 0 318.440 3.135 10 0 DGAERO CCn1c2ccccc2c2cc(CNC(=O)[C@H](C)C[NH3+])ccc21 ZINC000218440043 432658203 /nfs/dbraw/zinc/65/82/03/432658203.db2.gz BUAVGOQRCPGQOM-CYBMUJFWSA-N 1 0 309.413 3.025 10 0 DGAERO Cc1nc(CC(C)C)c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1 ZINC000158835179 432660075 /nfs/dbraw/zinc/66/00/75/432660075.db2.gz RAMLLNFYTXSBGV-SWLSCSKDSA-N 1 0 323.506 3.109 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)cc1NC(C)=O ZINC000177778458 432660556 /nfs/dbraw/zinc/66/05/56/432660556.db2.gz QWKTUPNPVYWLHO-LLVKDONJSA-N 1 0 302.418 3.493 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000158998595 432666090 /nfs/dbraw/zinc/66/60/90/432666090.db2.gz IGLMHYSTZHSXLV-CJNGLKHVSA-N 1 0 320.864 3.217 10 0 DGAERO CCC(CC)NC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159033141 432667153 /nfs/dbraw/zinc/66/71/53/432667153.db2.gz XJYMMVSQDRBXKG-GOSISDBHSA-N 1 0 317.477 3.481 10 0 DGAERO CC[C@@H]1CN(c2ncc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000159680494 432692630 /nfs/dbraw/zinc/69/26/30/432692630.db2.gz PLVARTXDENQQIK-KCJUWKMLSA-N 1 0 318.646 3.061 10 0 DGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C)CC2)cc1 ZINC000188026276 432699897 /nfs/dbraw/zinc/69/98/97/432699897.db2.gz CQJFELNBXHKCKX-DZKIICNBSA-N 1 0 324.490 3.214 10 0 DGAERO COc1cc(OC)c([C@@H](C)[NH2+]CC2(CCO)CC2)cc1Cl ZINC000188072725 432702750 /nfs/dbraw/zinc/70/27/50/432702750.db2.gz LOKNRKXZRBCHJM-LLVKDONJSA-N 1 0 313.825 3.170 10 0 DGAERO COC[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)C1CCOCC1 ZINC000188092953 432704020 /nfs/dbraw/zinc/70/40/20/432704020.db2.gz UTPYRUBNPRHPGY-SJKOYZFVSA-N 1 0 313.388 3.100 10 0 DGAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000178194460 432706128 /nfs/dbraw/zinc/70/61/28/432706128.db2.gz CVLIVIVFTZUVRY-QAPCUYQASA-N 1 0 322.456 3.458 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cn[nH]c1 ZINC000226653767 432708568 /nfs/dbraw/zinc/70/85/68/432708568.db2.gz LCEYWUGCANZGBB-MELADBBJSA-N 1 0 322.453 3.096 10 0 DGAERO Fc1ccc([C@@H]([NH2+]CCCc2ccccn2)c2ncc[nH]2)cc1 ZINC000188250820 432714902 /nfs/dbraw/zinc/71/49/02/432714902.db2.gz CVLXKCFPBBWQKS-QGZVFWFLSA-N 1 0 310.376 3.256 10 0 DGAERO CCCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)ccc1OC ZINC000188331637 432718328 /nfs/dbraw/zinc/71/83/28/432718328.db2.gz XAKDHURTGXBVOL-KBXCAEBGSA-N 1 0 307.434 3.341 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000178316770 432719663 /nfs/dbraw/zinc/71/96/63/432719663.db2.gz GWVCFBABZXQVJJ-LJQANCHMSA-N 1 0 321.428 3.042 10 0 DGAERO Cc1c([C@@H](C)[NH2+][C@H]2CCCOC2)nnn1-c1cccc(Cl)c1 ZINC000177927148 432674224 /nfs/dbraw/zinc/67/42/24/432674224.db2.gz MRAAGCCOWZSVGN-RISCZKNCSA-N 1 0 320.824 3.059 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000131831587 292664148 /nfs/dbraw/zinc/66/41/48/292664148.db2.gz NSVQOWBSUODJEY-UHFFFAOYSA-N 1 0 321.440 3.055 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@H](c1ccccc1OC)N1CCCCC1 ZINC000187689975 432677054 /nfs/dbraw/zinc/67/70/54/432677054.db2.gz UJRWLDMIMFCSKH-FUHWJXTLSA-N 1 0 320.477 3.094 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]Cc2cc(C(N)=O)co2)c2ccccc12 ZINC000187712394 432677353 /nfs/dbraw/zinc/67/73/53/432677353.db2.gz YXPAEQOIPHUNPY-GFCCVEGCSA-N 1 0 324.380 3.391 10 0 DGAERO OCCCCCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000224949197 432684709 /nfs/dbraw/zinc/68/47/09/432684709.db2.gz JWZVZMFFBNMHDJ-UHFFFAOYSA-N 1 0 304.203 3.231 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000187797301 432687125 /nfs/dbraw/zinc/68/71/25/432687125.db2.gz YDCUIOJALPFUBO-HIFRSBDPSA-N 1 0 310.869 3.347 10 0 DGAERO CCC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1 ZINC000178047816 432687987 /nfs/dbraw/zinc/68/79/87/432687987.db2.gz DKJLPPCYQLXJPJ-KRWDZBQOSA-N 1 0 307.401 3.293 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000187907563 432691348 /nfs/dbraw/zinc/69/13/48/432691348.db2.gz FWAWVCVWRUHLDA-ACJLOTCBSA-N 1 0 318.392 3.464 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000187907534 432691463 /nfs/dbraw/zinc/69/14/63/432691463.db2.gz FWAWVCVWRUHLDA-SCLBCKFNSA-N 1 0 318.392 3.464 10 0 DGAERO Cc1cnn(CCCCC[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000178517259 432746881 /nfs/dbraw/zinc/74/68/81/432746881.db2.gz GFKFSKZCMOZBIR-MRXNPFEDSA-N 1 0 321.465 3.025 10 0 DGAERO CC(C)OCc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236602599 432750102 /nfs/dbraw/zinc/75/01/02/432750102.db2.gz ANIQLGOHYIOHPG-NJAFHUGGSA-N 1 0 316.445 3.471 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)[nH]c3ccc(Cl)cc32)C1 ZINC000178535679 432751218 /nfs/dbraw/zinc/75/12/18/432751218.db2.gz LJGOFGLTKCYIGT-ZDUSSCGKSA-N 1 0 319.836 3.344 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000236609087 432751221 /nfs/dbraw/zinc/75/12/21/432751221.db2.gz PGZFUFMKMFSYRF-IEBWSBKVSA-N 1 0 302.462 3.112 10 0 DGAERO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000236656046 432754462 /nfs/dbraw/zinc/75/44/62/432754462.db2.gz ZCDANNUPJQVEQE-KGLIPLIRSA-N 1 0 323.506 3.346 10 0 DGAERO C[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)CC1(CO)CC1 ZINC000188952999 432756106 /nfs/dbraw/zinc/75/61/06/432756106.db2.gz GBAVAGBUPNGQPS-UHFFFAOYSA-N 1 0 307.340 3.429 10 0 DGAERO CCCC(CCC)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189060894 432761918 /nfs/dbraw/zinc/76/19/18/432761918.db2.gz HHTJHRWZBSSZLY-QGZVFWFLSA-N 1 0 306.425 3.485 10 0 DGAERO CO[C@H]1CN(Cc2ccc(Br)s2)CC[C@H]1C ZINC000189295902 432775683 /nfs/dbraw/zinc/77/56/83/432775683.db2.gz OALMECPHVGKMNK-KOLCDFICSA-N 1 0 304.253 3.367 10 0 DGAERO CO[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1C ZINC000189312932 432777356 /nfs/dbraw/zinc/77/73/56/432777356.db2.gz UNIRKHWJTBOWTD-WFASDCNBSA-N 1 0 317.351 3.485 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000188552273 432732882 /nfs/dbraw/zinc/73/28/82/432732882.db2.gz WNRMIVVYPLATQF-QWHCGFSZSA-N 1 0 323.403 3.091 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000178444284 432736317 /nfs/dbraw/zinc/73/63/17/432736317.db2.gz QZENUQWBCYSQBD-BDJLRTHQSA-N 1 0 307.340 3.358 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178462661 432740065 /nfs/dbraw/zinc/74/00/65/432740065.db2.gz UAYFHUKJXIYBDC-CHWSQXEVSA-N 1 0 310.463 3.287 10 0 DGAERO C[C@H]([NH3+])C1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161495476 432781960 /nfs/dbraw/zinc/78/19/60/432781960.db2.gz MQDUVAHAGJUGGN-JTQLQIEISA-N 1 0 315.230 3.147 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1C(F)(F)F ZINC000235703754 432744271 /nfs/dbraw/zinc/74/42/71/432744271.db2.gz PGAJJUXCVIRUQU-QWRGUYRKSA-N 1 0 300.324 3.340 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)cc1 ZINC000178516972 432746301 /nfs/dbraw/zinc/74/63/01/432746301.db2.gz OAQXPPYSIVOCBI-CYBMUJFWSA-N 1 0 303.406 3.485 10 0 DGAERO Cc1cccc(CN(CC[NH+](C)C)c2ccnc(C3CC3)n2)c1 ZINC000162210781 432816244 /nfs/dbraw/zinc/81/62/44/432816244.db2.gz WTZBROXZUXSBSA-UHFFFAOYSA-N 1 0 310.445 3.231 10 0 DGAERO CCC[C@H](C(=O)N1CCC(Nc2cccc(C)c2)CC1)[NH+](C)C ZINC000162266359 432818841 /nfs/dbraw/zinc/81/88/41/432818841.db2.gz UOTOVEGSBWNVOW-GOSISDBHSA-N 1 0 317.477 3.128 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H]1C ZINC000162939527 432839131 /nfs/dbraw/zinc/83/91/31/432839131.db2.gz WBCDHBJRLFYSKI-MQYQWHSLSA-N 1 0 320.399 3.202 10 0 DGAERO CCC[C@H](C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000162302916 432820718 /nfs/dbraw/zinc/82/07/18/432820718.db2.gz ZHTSUMYUUFCHHE-BPQIPLTHSA-N 1 0 302.462 3.369 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000162348562 432821064 /nfs/dbraw/zinc/82/10/64/432821064.db2.gz OQVHTJASDOLWRL-IAQYHMDHSA-N 1 0 312.816 3.281 10 0 DGAERO Cc1cnc([C@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)s1 ZINC000162397689 432822199 /nfs/dbraw/zinc/82/21/99/432822199.db2.gz DJNGVKCBZIKYJS-ZDUSSCGKSA-N 1 0 307.438 3.373 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc2nc(C3CC3)oc2c1)[NH+](C)C ZINC000162432382 432823670 /nfs/dbraw/zinc/82/36/70/432823670.db2.gz SHSKQIMMGDITSL-CQSZACIVSA-N 1 0 301.390 3.374 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245415453 432828704 /nfs/dbraw/zinc/82/87/04/432828704.db2.gz DGNHZVJTDIORNS-DZGCQCFKSA-N 1 0 303.475 3.458 10 0 DGAERO C[C@H]([NH2+]CC1(O)CCOCC1)c1cc(F)c(Cl)cc1Cl ZINC000162601629 432828720 /nfs/dbraw/zinc/82/87/20/432828720.db2.gz XFXWGAYSEJRIAD-VIFPVBQESA-N 1 0 322.207 3.325 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](C)c1ccccc1OC ZINC000245425764 432829245 /nfs/dbraw/zinc/82/92/45/432829245.db2.gz FGFAYVXJTFVTHJ-HOTGVXAUSA-N 1 0 318.461 3.132 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H](C)c1ccccc1OC ZINC000245425765 432829379 /nfs/dbraw/zinc/82/93/79/432829379.db2.gz FGFAYVXJTFVTHJ-JKSUJKDBSA-N 1 0 318.461 3.132 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430388 432829530 /nfs/dbraw/zinc/82/95/30/432829530.db2.gz NOVWRILMTWODKX-ZFWWWQNUSA-N 1 0 312.404 3.450 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1c(C)cccc1C ZINC000245429534 432829794 /nfs/dbraw/zinc/82/97/94/432829794.db2.gz KOLXLBIBVKXGSI-CVEARBPZSA-N 1 0 301.434 3.394 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245432155 432830336 /nfs/dbraw/zinc/83/03/36/432830336.db2.gz BCEISUCHFASNSZ-GJZGRUSLSA-N 1 0 320.481 3.236 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)cc(C)c1 ZINC000245432654 432830362 /nfs/dbraw/zinc/83/03/62/432830362.db2.gz ONSAGCCGHANTFD-SJORKVTESA-N 1 0 301.434 3.394 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000245438840 432830809 /nfs/dbraw/zinc/83/08/09/432830809.db2.gz YOPZQXDWKIYGPW-YOEHRIQHSA-N 1 0 319.449 3.342 10 0 DGAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000162673271 432831224 /nfs/dbraw/zinc/83/12/24/432831224.db2.gz PEIKGOWUECXLOE-IUCAKERBSA-N 1 0 306.631 3.209 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)C1CCC1 ZINC000267339426 432832494 /nfs/dbraw/zinc/83/24/94/432832494.db2.gz GQDYEZVEGSFKTO-MAUKXSAKSA-N 1 0 315.461 3.091 10 0 DGAERO CCc1csc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C2)n1 ZINC000245460904 432834095 /nfs/dbraw/zinc/83/40/95/432834095.db2.gz FODDDYBYMUBPQX-KGLIPLIRSA-N 1 0 323.506 3.140 10 0 DGAERO C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000245462429 432834524 /nfs/dbraw/zinc/83/45/24/432834524.db2.gz NTZPGALYERMCPF-OWCLPIDISA-N 1 0 317.477 3.058 10 0 DGAERO C[C@H]1CCC[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000245497283 432836558 /nfs/dbraw/zinc/83/65/58/432836558.db2.gz TXIKBNKEROHSRB-BWNFHQQQSA-N 1 0 307.482 3.222 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc2oc(C3CC3)nc2c1)[NH+](C)C ZINC000161522113 432783259 /nfs/dbraw/zinc/78/32/59/432783259.db2.gz WVZSMDKQRDDYDF-AWEZNQCLSA-N 1 0 301.390 3.374 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cncn1)CCC2 ZINC000178951751 432790320 /nfs/dbraw/zinc/79/03/20/432790320.db2.gz TVRJGOIAFDGTKR-SFHVURJKSA-N 1 0 319.412 3.138 10 0 DGAERO O=C1NCC[C@@H]1[NH2+][C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000178992460 432793947 /nfs/dbraw/zinc/79/39/47/432793947.db2.gz MEQSQTGWVPJDNV-IRXDYDNUSA-N 1 0 320.864 3.310 10 0 DGAERO Cc1csc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000179011896 432795317 /nfs/dbraw/zinc/79/53/17/432795317.db2.gz QIMHLJSNWXLOQO-UONOGXRCSA-N 1 0 316.430 3.018 10 0 DGAERO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000179013471 432796584 /nfs/dbraw/zinc/79/65/84/432796584.db2.gz GOZZPQWGOQUGGI-RBUKOAKNSA-N 1 0 323.440 3.240 10 0 DGAERO CCC[C@H](C(=O)Nc1cccc(OCC(F)(F)F)c1)[NH+](C)C ZINC000161795131 432798178 /nfs/dbraw/zinc/79/81/78/432798178.db2.gz NIICFUPWZLPHFU-CYBMUJFWSA-N 1 0 318.339 3.297 10 0 DGAERO CC(C)OC1CC([NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000189555237 432799143 /nfs/dbraw/zinc/79/91/43/432799143.db2.gz KOQLVSQFYFANQQ-JOCCRWCTSA-N 1 0 324.415 3.256 10 0 DGAERO C[C@@H](C[N@H+](C)CCN(C)Cc1ccc(F)cc1)c1nccs1 ZINC000161882844 432803450 /nfs/dbraw/zinc/80/34/50/432803450.db2.gz ARCFELQEVAEJBI-AWEZNQCLSA-N 1 0 321.465 3.450 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000237881506 432803566 /nfs/dbraw/zinc/80/35/66/432803566.db2.gz LRRQQDXPFILTBK-YPMHNXCESA-N 1 0 315.348 3.079 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1sccc1Br ZINC000161904054 432803524 /nfs/dbraw/zinc/80/35/24/432803524.db2.gz BZJBLXSYYWBLGD-OMQMVUIESA-N 1 0 324.309 3.318 10 0 DGAERO Cc1cccc(C2(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CCCC2)c1 ZINC000237929611 432804963 /nfs/dbraw/zinc/80/49/63/432804963.db2.gz SRSMIRZFJAHFSI-SJLPKXTDSA-N 1 0 314.473 3.441 10 0 DGAERO Cc1ccccc1[C@H](C)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189630338 432805903 /nfs/dbraw/zinc/80/59/03/432805903.db2.gz IKNMHRWQMVEAGL-HNNXBMFYSA-N 1 0 310.445 3.479 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N2CC3(CCCC3)OC(C)(C)C2)CC1 ZINC000189633822 432806467 /nfs/dbraw/zinc/80/64/67/432806467.db2.gz XHNPORASFLKKCZ-UHFFFAOYSA-N 1 0 322.493 3.057 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)C1 ZINC000237987968 432808021 /nfs/dbraw/zinc/80/80/21/432808021.db2.gz DCXDBZUFXZIVGH-HDMKZQKVSA-N 1 0 311.429 3.349 10 0 DGAERO Cc1ncc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741665 432860234 /nfs/dbraw/zinc/86/02/34/432860234.db2.gz LXVFFFXXDBSYTF-YJBOKZPZSA-N 1 0 312.461 3.095 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245760930 432861819 /nfs/dbraw/zinc/86/18/19/432861819.db2.gz PRZZUFJYEJIVCL-JSGCOSHPSA-N 1 0 311.857 3.198 10 0 DGAERO C[C@H](CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(F)cc1F ZINC000245776240 432861928 /nfs/dbraw/zinc/86/19/28/432861928.db2.gz ATUUZLICRVSWJO-HIFRSBDPSA-N 1 0 322.399 3.155 10 0 DGAERO CC(=O)Nc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000245788618 432862938 /nfs/dbraw/zinc/86/29/38/432862938.db2.gz VTDQDPCSJNXFSA-MOPGFXCFSA-N 1 0 315.461 3.092 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cnc(-c3ccccc3)[nH]1)CC2 ZINC000245808121 432864323 /nfs/dbraw/zinc/86/43/23/432864323.db2.gz YWPVYZDGLOYENC-QFBILLFUSA-N 1 0 311.429 3.204 10 0 DGAERO CC(C)[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245863194 432866314 /nfs/dbraw/zinc/86/63/14/432866314.db2.gz SCUXHPLROXYSAW-ZWKOTPCHSA-N 1 0 300.446 3.123 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1N(C)C ZINC000245865558 432866363 /nfs/dbraw/zinc/86/63/63/432866363.db2.gz JSYRSXSAGDQPDN-NZPGVSJUSA-N 1 0 300.446 3.361 10 0 DGAERO CC[C@H](C)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000245894599 432868276 /nfs/dbraw/zinc/86/82/76/432868276.db2.gz HVMSYTHIBACJSK-YOEHRIQHSA-N 1 0 304.434 3.089 10 0 DGAERO O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245912303 432868780 /nfs/dbraw/zinc/86/87/80/432868780.db2.gz JPNJTMOKMOERTA-FFZOFVMBSA-N 1 0 320.436 3.250 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(F)c(C)c2)[C@@H](C)C1 ZINC000245914791 432869163 /nfs/dbraw/zinc/86/91/63/432869163.db2.gz VXLPWANBNJWYLD-GOEBONIOSA-N 1 0 306.425 3.245 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(CO)c1 ZINC000245939296 432870983 /nfs/dbraw/zinc/87/09/83/432870983.db2.gz YLZMJAQTJUOXKH-OKDNKWQNSA-N 1 0 301.430 3.177 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1 ZINC000245933832 432871600 /nfs/dbraw/zinc/87/16/00/432871600.db2.gz RDERUQLMRXPAAI-KFWWJZLASA-N 1 0 304.434 3.029 10 0 DGAERO COc1ccc([C@@H](C)CN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000245948467 432872836 /nfs/dbraw/zinc/87/28/36/432872836.db2.gz WGFUVCSQOWLFJO-XJKSGUPXSA-N 1 0 318.442 3.329 10 0 DGAERO O=C(C[N@@H+]1CCC[C@H]1C1CCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000245994486 432873833 /nfs/dbraw/zinc/87/38/33/432873833.db2.gz BAYJWSSUSLGNOX-KGLIPLIRSA-N 1 0 318.383 3.052 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)c1c(F)cccc1F ZINC000246024245 432874388 /nfs/dbraw/zinc/87/43/88/432874388.db2.gz QJQKQSLDEPHEMX-RHSMWYFYSA-N 1 0 318.367 3.185 10 0 DGAERO CC(=O)c1ccc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000245539231 432841126 /nfs/dbraw/zinc/84/11/26/432841126.db2.gz ZYXHVKSFQFNFKX-DOTOQJQBSA-N 1 0 315.461 3.375 10 0 DGAERO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc21)C(C)C ZINC000163052001 432841564 /nfs/dbraw/zinc/84/15/64/432841564.db2.gz RHGHMUWRQRBLGD-VYDXJSESSA-N 1 0 318.461 3.175 10 0 DGAERO COc1cccc([C@H]2[C@H](NC(=O)CC(C)C)CC[N@@H+]2C2CC2)c1 ZINC000245552467 432843289 /nfs/dbraw/zinc/84/32/89/432843289.db2.gz QMUFDCNGHGPIOM-MJGOQNOKSA-N 1 0 316.445 3.135 10 0 DGAERO Cn1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(-c2ccccc2)n1 ZINC000245608251 432849349 /nfs/dbraw/zinc/84/93/49/432849349.db2.gz AECJEDOUJUHRND-MSOLQXFVSA-N 1 0 311.429 3.231 10 0 DGAERO CCCc1csc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000245599751 432849521 /nfs/dbraw/zinc/84/95/21/432849521.db2.gz FFVAKEHJEJZBOL-AAEUAGOBSA-N 1 0 310.467 3.042 10 0 DGAERO CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2OC)C(C)C)C1 ZINC000163305915 432849639 /nfs/dbraw/zinc/84/96/39/432849639.db2.gz KFFAMFTZHVYXPA-WMZOPIPTSA-N 1 0 304.478 3.194 10 0 DGAERO CCCc1csc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)n1 ZINC000245613036 432850650 /nfs/dbraw/zinc/85/06/50/432850650.db2.gz LCYMFKWLRPUMKI-ZIAGYGMSSA-N 1 0 322.478 3.186 10 0 DGAERO C[C@]1(CNC(=O)CC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000163486098 432853670 /nfs/dbraw/zinc/85/36/70/432853670.db2.gz MFRQIMUEJKMEDO-OAHLLOKOSA-N 1 0 314.351 3.110 10 0 DGAERO COCCN1CC[N@@H+]([C@H](C)CCSc2ccccc2)C[C@H]1C ZINC000245688925 432854982 /nfs/dbraw/zinc/85/49/82/432854982.db2.gz OGKPPGNAJZZGGW-IAGOWNOFSA-N 1 0 322.518 3.210 10 0 DGAERO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cn1 ZINC000245687470 432855297 /nfs/dbraw/zinc/85/52/97/432855297.db2.gz ALEYOAICLJIKFS-HZPDHXFCSA-N 1 0 303.406 3.145 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)c(F)c(C)c1 ZINC000245680399 432856170 /nfs/dbraw/zinc/85/61/70/432856170.db2.gz MLDGMNCSXVIEJV-HOTGVXAUSA-N 1 0 304.409 3.141 10 0 DGAERO c1c(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)nc2ncccn12 ZINC000298053024 433045067 /nfs/dbraw/zinc/04/50/67/433045067.db2.gz IYPSLIFWYGVWQW-SJORKVTESA-N 1 0 306.413 3.230 10 0 DGAERO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)CCO1 ZINC000341253091 433005273 /nfs/dbraw/zinc/00/52/73/433005273.db2.gz JHPVVEQGMPWDBL-PKOBYXMFSA-N 1 0 313.445 3.225 10 0 DGAERO O=C(Nc1scnc1C1CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333091151 433032145 /nfs/dbraw/zinc/03/21/45/433032145.db2.gz CLFZCOITBGOSIX-CYBMUJFWSA-N 1 0 320.462 3.016 10 0 DGAERO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1csc2ccccc12 ZINC000333120446 433033365 /nfs/dbraw/zinc/03/33/65/433033365.db2.gz GLXLZQJNDRXEJT-AWEZNQCLSA-N 1 0 303.431 3.411 10 0 DGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3csc4ccccc34)C[C@@H]12 ZINC000333116832 433033903 /nfs/dbraw/zinc/03/39/03/433033903.db2.gz FYNSDNOMQAXEPM-RAIGVLPGSA-N 1 0 301.415 3.102 10 0 DGAERO Cc1cc2sc(NC(=O)N[C@@H]3CCCC[NH2+]C3)nc2cc1F ZINC000333271942 433046046 /nfs/dbraw/zinc/04/60/46/433046046.db2.gz GFDREBOAPOLKOT-SNVBAGLBSA-N 1 0 322.409 3.007 10 0 DGAERO CC(C)[C@H]1C[C@H](C[NH2+][C@H]2CC[C@@H](C)C[C@@H]2n2cncn2)CCO1 ZINC000333227454 433042579 /nfs/dbraw/zinc/04/25/79/433042579.db2.gz NJDPKAIGTLRIIX-DFBDCSAJSA-N 1 0 320.481 3.049 10 0 DGAERO C[C@@H]1c2cccc(Br)c2CCN1C[C@H]1CCC[NH2+]C1 ZINC000261825136 289073173 /nfs/dbraw/zinc/07/31/73/289073173.db2.gz IPHHCXBFATXVCP-OLZOCXBDSA-N 1 0 323.278 3.368 10 0 DGAERO Cc1ccc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCCC2)cn1 ZINC000155874184 292719074 /nfs/dbraw/zinc/71/90/74/292719074.db2.gz VCYXHQZQRZQYQN-UHFFFAOYSA-N 1 0 319.449 3.317 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1)N1CCOCC1 ZINC000156746064 292734442 /nfs/dbraw/zinc/73/44/42/292734442.db2.gz ZITXQZZAPDQWME-CVEARBPZSA-N 1 0 320.477 3.235 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH+]3CCC([C@@H]4CCCO4)CC3)C2)cc1 ZINC000298260749 433072706 /nfs/dbraw/zinc/07/27/06/433072706.db2.gz FOQCZAQSHHQKCE-UXHICEINSA-N 1 0 314.473 3.152 10 0 DGAERO CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc2c(c1)OCCO2 ZINC000453306862 433079291 /nfs/dbraw/zinc/07/92/91/433079291.db2.gz JRWJIJLEQNKYQR-OAHLLOKOSA-N 1 0 323.408 3.265 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CCc2ncccc2C)c2ccccc2C1 ZINC000453317917 433087038 /nfs/dbraw/zinc/08/70/38/433087038.db2.gz ZLHJMGDXUQSAKT-HXUWFJFHSA-N 1 0 323.440 3.016 10 0 DGAERO Cc1cc(C)c(NC(=O)N2CCNC[C@H]2c2cccnc2)c(C)c1 ZINC000333944609 433131856 /nfs/dbraw/zinc/13/18/56/433131856.db2.gz SDJADGBCMHQVNS-KRWDZBQOSA-N 1 0 324.428 3.185 10 0 DGAERO Cc1csc([C@H](C)NC(=O)c2sccc2C[NH+](C)C)n1 ZINC000446957065 433136472 /nfs/dbraw/zinc/13/64/72/433136472.db2.gz KJOWLIXZEJVBSB-JTQLQIEISA-N 1 0 309.460 3.066 10 0 DGAERO CN1CCC[C@H](C[NH2+]C[C@H]2CCSC2)[C@@H]1c1cccs1 ZINC000373301650 433148368 /nfs/dbraw/zinc/14/83/68/433148368.db2.gz UYCBYXAKRNDBRR-IIAWOOMASA-N 1 0 310.532 3.474 10 0 DGAERO Cn1ccc([C@@H]([NH2+]CCC[C@@H]2CCOC2)c2ccc(F)cc2)n1 ZINC000453357932 433117516 /nfs/dbraw/zinc/11/75/16/433117516.db2.gz JKAUKJBIFQNDIO-KDOFPFPSSA-N 1 0 317.408 3.055 10 0 DGAERO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333854459 433119027 /nfs/dbraw/zinc/11/90/27/433119027.db2.gz XYIVESFDBKHFCJ-DZGCQCFKSA-N 1 0 319.449 3.043 10 0 DGAERO Brc1ccc([C@H]2C[C@H]([NH2+]Cc3cocn3)C2)cc1 ZINC000291026232 433215297 /nfs/dbraw/zinc/21/52/97/433215297.db2.gz IBHMMCZHKGTKBD-AULYBMBSSA-N 1 0 307.191 3.473 10 0 DGAERO CO[C@H](C[NH2+]Cc1sc(C)cc1Br)C1CC1 ZINC000453593632 433222674 /nfs/dbraw/zinc/22/26/74/433222674.db2.gz JYCGSHKBJZPODM-LLVKDONJSA-N 1 0 304.253 3.334 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)cn2)nc1 ZINC000425420218 433233028 /nfs/dbraw/zinc/23/30/28/433233028.db2.gz MEEWZHNNDITHBF-ROUUACIJSA-N 1 0 323.440 3.392 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)cn2)nc1 ZINC000425427097 433239626 /nfs/dbraw/zinc/23/96/26/433239626.db2.gz UEDBJNWLKOFMMJ-VQIMIIECSA-N 1 0 309.413 3.145 10 0 DGAERO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)O1 ZINC000453629167 433251776 /nfs/dbraw/zinc/25/17/76/433251776.db2.gz LBHALAZFSGKLSK-CJNGLKHVSA-N 1 0 305.418 3.299 10 0 DGAERO CC(C)C1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000374677255 433252904 /nfs/dbraw/zinc/25/29/04/433252904.db2.gz RELYDHYDHADSCY-FPQWYMTMSA-N 1 0 309.494 3.359 10 0 DGAERO CC(C)C1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000374677257 433253070 /nfs/dbraw/zinc/25/30/70/433253070.db2.gz RELYDHYDHADSCY-GPQLOAJWSA-N 1 0 309.494 3.359 10 0 DGAERO C/C(=C\c1ccccc1)C[N@@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425470490 433256914 /nfs/dbraw/zinc/25/69/14/433256914.db2.gz FUSAHQMQTODDRD-VOGRQWBCSA-N 1 0 300.446 3.421 10 0 DGAERO O[C@@H]1[C@H](C[NH2+]Cc2sccc2Cl)CCC12CCOCC2 ZINC000374684863 433257727 /nfs/dbraw/zinc/25/77/27/433257727.db2.gz BBFVJXWHDNIJDK-SMDDNHRTSA-N 1 0 315.866 3.059 10 0 DGAERO OCC[C@@H]1CSCC[N@@H+]1CCCc1c(F)cccc1Cl ZINC000447728785 433266719 /nfs/dbraw/zinc/26/67/19/433266719.db2.gz FMYIODHXNNFULA-GFCCVEGCSA-N 1 0 317.857 3.212 10 0 DGAERO COCC[N@H+](Cc1cc(OC)ccc1OC)[C@@H]1CC[C@@H](C)C1 ZINC000361639475 433304005 /nfs/dbraw/zinc/30/40/05/433304005.db2.gz OUDFCDQYOHPJQM-GDBMZVCRSA-N 1 0 307.434 3.341 10 0 DGAERO Brc1ccccc1CC1([NH2+]Cc2cocn2)CC1 ZINC000291785567 433350262 /nfs/dbraw/zinc/35/02/62/433350262.db2.gz VJJYSGTZRCKXEG-UHFFFAOYSA-N 1 0 307.191 3.302 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000361749509 433370926 /nfs/dbraw/zinc/37/09/26/433370926.db2.gz FHUXOXPEJNZODU-GJZGRUSLSA-N 1 0 312.413 3.017 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2nnc3ccccn32)C[C@@H]1Oc1ccccc1 ZINC000375323524 433426141 /nfs/dbraw/zinc/42/61/41/433426141.db2.gz HIIBVCFTWWNRDT-CVEARBPZSA-N 1 0 322.412 3.065 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)n(-c2ccccc2)n1 ZINC000448339212 433384731 /nfs/dbraw/zinc/38/47/31/433384731.db2.gz KWFYZBUDWMYSMV-IAGOWNOFSA-N 1 0 311.429 3.121 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2nc(C)cs2)C[C@@H]1C ZINC000361775563 433385618 /nfs/dbraw/zinc/38/56/18/433385618.db2.gz WXSVEWCPQRPIRQ-MJBXVCDLSA-N 1 0 324.494 3.027 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000291911271 433389584 /nfs/dbraw/zinc/38/95/84/433389584.db2.gz KBQNOBSXZCEHSO-AZUAARDMSA-N 1 0 318.424 3.047 10 0 DGAERO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000375266063 433404148 /nfs/dbraw/zinc/40/41/48/433404148.db2.gz DGWAKCDTQPUCPL-UHFFFAOYSA-N 1 0 311.389 3.081 10 0 DGAERO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)C2)cc1 ZINC000375276162 433405928 /nfs/dbraw/zinc/40/59/28/433405928.db2.gz RMXYDAPMYKMFCK-MUGJNUQGSA-N 1 0 315.457 3.326 10 0 DGAERO C[C@@H](C[NH2+][C@H](C)C(=O)NCc1ccccc1)Cc1ccccc1 ZINC000158765075 292776870 /nfs/dbraw/zinc/77/68/70/292776870.db2.gz YUXHJDHEPCNGFI-IAGOWNOFSA-N 1 0 310.441 3.160 10 0 DGAERO COc1ccc(Cl)c(C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000361840412 433413997 /nfs/dbraw/zinc/41/39/97/433413997.db2.gz SSHNRAHIYXNMAI-UHFFFAOYSA-N 1 0 305.809 3.451 10 0 DGAERO c1cc(CCC[N@@H+]2CC[C@]3(C2)CCCOC3)cc2c1OCC2 ZINC000375300632 433415613 /nfs/dbraw/zinc/41/56/13/433415613.db2.gz BVTPNQZJSFKACW-IBGZPJMESA-N 1 0 301.430 3.057 10 0 DGAERO COCc1cccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375400634 433451860 /nfs/dbraw/zinc/45/18/60/433451860.db2.gz FZTSHLXKZKHXCS-INIZCTEOSA-N 1 0 313.401 3.083 10 0 DGAERO Fc1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(F)c1 ZINC000375409258 433452630 /nfs/dbraw/zinc/45/26/30/433452630.db2.gz RFDKLCMUOJGIMG-LBPRGKRZSA-N 1 0 305.328 3.215 10 0 DGAERO CC(C)C[NH+]1CCC(Nc2cncc(Br)c2)CC1 ZINC000301215756 433455909 /nfs/dbraw/zinc/45/59/09/433455909.db2.gz ZXFXAYMVJLMQIJ-UHFFFAOYSA-N 1 0 312.255 3.376 10 0 DGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1N(C)C ZINC000247933242 290061547 /nfs/dbraw/zinc/06/15/47/290061547.db2.gz CFHSVOVUHONWQW-OYYNGEPBSA-N 1 0 314.404 3.201 10 0 DGAERO C([NH2+]C1CC2(C1)CCCCC2)C1(N2CCCC2)CCOCC1 ZINC000421320011 433473083 /nfs/dbraw/zinc/47/30/83/433473083.db2.gz BMRDMPCMHDNSIM-UHFFFAOYSA-N 1 0 306.494 3.334 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980144 433478795 /nfs/dbraw/zinc/47/87/95/433478795.db2.gz HOOWNPQGTCMDDM-CMTQZCSUSA-N 1 0 316.489 3.038 10 0 DGAERO COc1cccc(-c2noc(NCC[N@@H+]3CCCC[C@@H]3C)n2)c1 ZINC000301353532 433517750 /nfs/dbraw/zinc/51/77/50/433517750.db2.gz JORUQMCQEWAQQH-ZDUSSCGKSA-N 1 0 316.405 3.032 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c2c(c1)OCCCO2 ZINC000355205783 433537367 /nfs/dbraw/zinc/53/73/67/433537367.db2.gz JUAXQYRHRKGLDY-WBVHZDCISA-N 1 0 317.429 3.096 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncnc2c3ccccc3oc21 ZINC000301465953 433568969 /nfs/dbraw/zinc/56/89/69/433568969.db2.gz HPXHXGZZCFIEPI-CYBMUJFWSA-N 1 0 310.401 3.297 10 0 DGAERO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)C[C@H]2CC=CCC2)c1 ZINC000362189218 433577060 /nfs/dbraw/zinc/57/70/60/433577060.db2.gz JFXNDERNVIQWNZ-KRWDZBQOSA-N 1 0 321.486 3.447 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421402991 433547390 /nfs/dbraw/zinc/54/73/90/433547390.db2.gz WMOQSJKZPRVGGX-IBGZPJMESA-N 1 0 310.397 3.025 10 0 DGAERO CCC[C@H](C(=O)NCCCCOc1ccc(C)cc1)[NH+](C)C ZINC000161630629 292839294 /nfs/dbraw/zinc/83/92/94/292839294.db2.gz OULPJUPPHCEYHD-QGZVFWFLSA-N 1 0 306.450 3.001 10 0 DGAERO O=C1OCC[C@H]1CCN1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000375979653 433634538 /nfs/dbraw/zinc/63/45/38/433634538.db2.gz GAPVCSFJRPMROD-GFCCVEGCSA-N 1 0 318.804 3.064 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(F)cc2cccnc21 ZINC000162770887 292858042 /nfs/dbraw/zinc/85/80/42/292858042.db2.gz ILCBIQUGMYQXTG-OAHLLOKOSA-N 1 0 317.408 3.080 10 0 DGAERO C([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1noc2c1CCCC2 ZINC000342316175 433611497 /nfs/dbraw/zinc/61/14/97/433611497.db2.gz PVLKSOIFMPMYHZ-QLFBSQMISA-N 1 0 304.434 3.238 10 0 DGAERO CCn1nnc(C)c1C[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000449010663 433657926 /nfs/dbraw/zinc/65/79/26/433657926.db2.gz MLHNTKSECYBSQL-CQSZACIVSA-N 1 0 316.449 3.068 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NCC2(CC(C)C)CC2)CC1 ZINC000362383175 433672837 /nfs/dbraw/zinc/67/28/37/433672837.db2.gz ITXRCQKCGRCJED-UHFFFAOYSA-N 1 0 309.498 3.234 10 0 DGAERO c1cn(Cc2ccccc2)c(C[NH2+]C[C@H]2COc3ccccc32)n1 ZINC000342413472 433675276 /nfs/dbraw/zinc/67/52/76/433675276.db2.gz FUAJFNZKZLIXQQ-KRWDZBQOSA-N 1 0 319.408 3.197 10 0 DGAERO CC[N@@H+]1CCc2c(cccc2Nc2cc(C)nc(COC)n2)C1 ZINC000301711204 433690576 /nfs/dbraw/zinc/69/05/76/433690576.db2.gz VCYVJWUFLXHREF-UHFFFAOYSA-N 1 0 312.417 3.053 10 0 DGAERO OCCCC[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000366964655 293008654 /nfs/dbraw/zinc/00/86/54/293008654.db2.gz VZJLBUQBQOPFBH-UHFFFAOYSA-N 1 0 301.455 3.490 10 0 DGAERO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190168809 293018732 /nfs/dbraw/zinc/01/87/32/293018732.db2.gz CUYTYVRPKZIGGD-LLVKDONJSA-N 1 0 322.396 3.129 10 0 DGAERO C[C@@H](O)C[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000367196757 293036407 /nfs/dbraw/zinc/03/64/07/293036407.db2.gz UCHPGALEHBPEIQ-HUUCEWRRSA-N 1 0 321.465 3.143 10 0 DGAERO CC(C)[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000367382308 293065129 /nfs/dbraw/zinc/06/51/29/293065129.db2.gz SELKTOFOGRVQSY-BZUAXINKSA-N 1 0 311.491 3.433 10 0 DGAERO Fc1cc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc(F)c1F ZINC000367477045 293078191 /nfs/dbraw/zinc/07/81/91/293078191.db2.gz MGCUOSOVJMXHQJ-LLVKDONJSA-N 1 0 323.318 3.354 10 0 DGAERO c1cn(-c2cc(C[NH2+]Cc3ccc4occc4c3)ccn2)cn1 ZINC000367523424 293083541 /nfs/dbraw/zinc/08/35/41/293083541.db2.gz OTUOMFXOCAZUDX-UHFFFAOYSA-N 1 0 304.353 3.303 10 0 DGAERO CCc1noc(C)c1C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000368327180 293116265 /nfs/dbraw/zinc/11/62/65/293116265.db2.gz JWMZPDXVONKWGA-UHFFFAOYSA-N 1 0 300.406 3.023 10 0 DGAERO Fc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000369707067 293136776 /nfs/dbraw/zinc/13/67/76/293136776.db2.gz PITZBESHQISCST-WKILWMFISA-N 1 0 322.387 3.442 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1C[C@H]3CCCC[C@@H]3C1)CC2 ZINC000370158789 293159395 /nfs/dbraw/zinc/15/93/95/293159395.db2.gz DYSZABIBUGJCOS-RBSFLKMASA-N 1 0 315.461 3.287 10 0 DGAERO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000370415091 293172925 /nfs/dbraw/zinc/17/29/25/293172925.db2.gz MRRBRXHPBPVOQJ-KRWDZBQOSA-N 1 0 303.381 3.084 10 0 DGAERO c1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](Cc3ccncc3)C1)CO2 ZINC000371681602 293223873 /nfs/dbraw/zinc/22/38/73/293223873.db2.gz RVIBRLNLRLHZSY-KRWDZBQOSA-N 1 0 306.409 3.422 10 0 DGAERO CC(=CC(=O)N[C@H]1CCc2[nH]cnc2C1)c1cccc(Cl)c1 ZINC000372328859 293234985 /nfs/dbraw/zinc/23/49/85/293234985.db2.gz AKIBIVKVWPWZKR-OIOXUXFSSA-N 1 0 315.804 3.140 10 0 DGAERO c1c[nH]c([C@H](NC2CC([NH+]3CCCCC3)C2)c2ccccc2)n1 ZINC000373521813 293285435 /nfs/dbraw/zinc/28/54/35/293285435.db2.gz LOJQMNIDFASYBP-DAWZGUTISA-N 1 0 310.445 3.106 10 0 DGAERO c1[nH]c2ccccc2c1C[C@H]1COCCN1Cc1ccccn1 ZINC000374142963 293357587 /nfs/dbraw/zinc/35/75/87/293357587.db2.gz LGTOLGWHOMIVFG-KRWDZBQOSA-N 1 0 307.397 3.006 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000449057249 433716605 /nfs/dbraw/zinc/71/66/05/433716605.db2.gz BKOTXFOVTWLCCH-UHFFFAOYSA-N 1 0 323.845 3.076 10 0 DGAERO c1csc(-c2cc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)no2)c1 ZINC000362456061 433725988 /nfs/dbraw/zinc/72/59/88/433725988.db2.gz UOGPCDAXESEBGF-TZMCWYRMSA-N 1 0 304.415 3.404 10 0 DGAERO Clc1ccc(C[N@@H+]2CCCC23CCC3)c(-n2cncn2)c1 ZINC000376449247 433739466 /nfs/dbraw/zinc/73/94/66/433739466.db2.gz PUPWZNUUNJBTHM-UHFFFAOYSA-N 1 0 302.809 3.439 10 0 DGAERO CCC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccn1 ZINC000374751836 293443480 /nfs/dbraw/zinc/44/34/80/293443480.db2.gz OFVFHOFAKDOSRZ-SOLBZPMBSA-N 1 0 318.461 3.080 10 0 DGAERO OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000376501650 433758475 /nfs/dbraw/zinc/75/84/75/433758475.db2.gz QYMHCZARUNDZPO-POZUXBRTSA-N 1 0 313.441 3.306 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000301850564 433759207 /nfs/dbraw/zinc/75/92/07/433759207.db2.gz AXMUERYISBEYSC-GOEBONIOSA-N 1 0 321.428 3.280 10 0 DGAERO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000449701463 433762449 /nfs/dbraw/zinc/76/24/49/433762449.db2.gz WNZVBFYUCAZCKU-PBHICJAKSA-N 1 0 311.429 3.477 10 0 DGAERO c1cc(CC[N@@H+]2CCOC[C@@H]2CC2CCC2)cc2c1OCC2 ZINC000339769376 433772792 /nfs/dbraw/zinc/77/27/92/433772792.db2.gz ZUUHKKIBIRFWFG-SFHVURJKSA-N 1 0 301.430 3.055 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)[C@H]1CCC[C@H](C)C1 ZINC000449765373 433777097 /nfs/dbraw/zinc/77/70/97/433777097.db2.gz HZZXBRDPGFSQAS-DZKIICNBSA-N 1 0 309.475 3.395 10 0 DGAERO CCn1nc(C[N@@H+]2CCC[C@@H](COC)CC2)c2ccccc21 ZINC000449774877 433787968 /nfs/dbraw/zinc/78/79/68/433787968.db2.gz LJOOAKNMMIKNSD-OAHLLOKOSA-N 1 0 301.434 3.305 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000449776652 433788318 /nfs/dbraw/zinc/78/83/18/433788318.db2.gz OWGVBSOCXMRKNT-CQSZACIVSA-N 1 0 303.427 3.249 10 0 DGAERO CCC(CC)Oc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000449789310 433802436 /nfs/dbraw/zinc/80/24/36/433802436.db2.gz FXHDYUOYVUJHSD-HNNXBMFYSA-N 1 0 318.461 3.326 10 0 DGAERO CSCC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375840296 293577262 /nfs/dbraw/zinc/57/72/62/293577262.db2.gz OUJNVCIKKILNBR-CQSZACIVSA-N 1 0 319.392 3.360 10 0 DGAERO C[C@@H]1CN(C(=O)c2cccc(O)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000357250729 433926022 /nfs/dbraw/zinc/92/60/22/433926022.db2.gz BMCPUYHNJTXLPZ-CVEARBPZSA-N 1 0 324.424 3.127 10 0 DGAERO C[S@](=O)C1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCC1 ZINC000436304230 433933652 /nfs/dbraw/zinc/93/36/52/433933652.db2.gz XUMBDFPDGPAZRD-JIGPKXGUSA-N 1 0 321.486 3.045 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)CSC2CC2)[C@@H]1c1cccs1 ZINC000449935526 433881015 /nfs/dbraw/zinc/88/10/15/433881015.db2.gz RKVNRTGRAHHORS-MLGOLLRUSA-N 1 0 324.515 3.143 10 0 DGAERO C[S@](=O)C1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCC1 ZINC000436304231 433934971 /nfs/dbraw/zinc/93/49/71/433934971.db2.gz XUMBDFPDGPAZRD-JLDZCNIISA-N 1 0 321.486 3.045 10 0 DGAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1nccc2ccccc21 ZINC000363040670 433958192 /nfs/dbraw/zinc/95/81/92/433958192.db2.gz AMYZNNUGOFZBQD-IRXDYDNUSA-N 1 0 323.440 3.324 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@H](C)C(C)(C)OC)c1 ZINC000340201510 433980028 /nfs/dbraw/zinc/98/00/28/433980028.db2.gz JWQJEDDLLVKZNE-SNVBAGLBSA-N 1 0 316.239 3.361 10 0 DGAERO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1c(F)cccc1Br ZINC000394740910 293834459 /nfs/dbraw/zinc/83/44/59/293834459.db2.gz IMXNUZSBEQERFY-NOZJJQNGSA-N 1 0 302.187 3.245 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000394905941 293835039 /nfs/dbraw/zinc/83/50/39/293835039.db2.gz JMLYRPGIUUVBGT-DGCLKSJQSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400501088 293864795 /nfs/dbraw/zinc/86/47/95/293864795.db2.gz IOZALHGZVNYHTF-ZIAGYGMSSA-N 1 0 308.466 3.412 10 0 DGAERO CSC1(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400731665 293865547 /nfs/dbraw/zinc/86/55/47/293865547.db2.gz QSPPBKDZHMSIHV-QWHCGFSZSA-N 1 0 314.495 3.117 10 0 DGAERO Cn1cncc1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000294099961 433994256 /nfs/dbraw/zinc/99/42/56/433994256.db2.gz JIMWSHFGAOEQAC-SNVBAGLBSA-N 1 0 312.236 3.021 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)CC2 ZINC000377798363 433999572 /nfs/dbraw/zinc/99/95/72/433999572.db2.gz HOADOSIIUVVINM-HNAYVOBHSA-N 1 0 304.397 3.041 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCn2ccnc21 ZINC000294276801 434068629 /nfs/dbraw/zinc/06/86/29/434068629.db2.gz YFSZNGGKLQDHKI-FZMZJTMJSA-N 1 0 320.234 3.311 10 0 DGAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCN(Cc2ccccc2)CC1 ZINC000309682663 434096314 /nfs/dbraw/zinc/09/63/14/434096314.db2.gz AEUWDASGDYTQJG-UYAOXDASSA-N 1 0 316.489 3.134 10 0 DGAERO C[N@@H+]1CCN(Cc2c(F)cccc2Br)C(C)(C)C1 ZINC000357609223 434099711 /nfs/dbraw/zinc/09/97/11/434099711.db2.gz DMKKAYYELHHVGV-UHFFFAOYSA-N 1 0 315.230 3.114 10 0 DGAERO C[N@H+](CCCCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C1CC1 ZINC000457210387 434053980 /nfs/dbraw/zinc/05/39/80/434053980.db2.gz VLYIZBBVYCUELB-ZBFHGGJFSA-N 1 0 322.399 3.059 10 0 DGAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000309811774 434102777 /nfs/dbraw/zinc/10/27/77/434102777.db2.gz MXXXEBYWXJBHHF-GDBMZVCRSA-N 1 0 310.397 3.202 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccccc1OCc1ccccc1 ZINC000309842922 434103300 /nfs/dbraw/zinc/10/33/00/434103300.db2.gz WXACFRPSVJPUEI-INIZCTEOSA-N 1 0 310.397 3.346 10 0 DGAERO Cc1cc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)on1 ZINC000310027231 434109472 /nfs/dbraw/zinc/10/94/72/434109472.db2.gz VXPLIKPTNTTWIM-SFHVURJKSA-N 1 0 313.445 3.375 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1Br ZINC000310611368 434111777 /nfs/dbraw/zinc/11/17/77/434111777.db2.gz AYBHVJNXKZRRHC-UONOGXRCSA-N 1 0 312.251 3.398 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1Br ZINC000310611365 434113857 /nfs/dbraw/zinc/11/38/57/434113857.db2.gz AYBHVJNXKZRRHC-KGLIPLIRSA-N 1 0 312.251 3.398 10 0 DGAERO COC[C@@H](C)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000310948100 434113932 /nfs/dbraw/zinc/11/39/32/434113932.db2.gz LIARYTPWKMCJDU-LBPRGKRZSA-N 1 0 316.239 3.042 10 0 DGAERO CN(Cc1cc(Br)cs1)[C@H]1C[NH+]2CCC1CC2 ZINC000310424914 434114507 /nfs/dbraw/zinc/11/45/07/434114507.db2.gz LSVGMRYCYMSXPG-ZDUSSCGKSA-N 1 0 315.280 3.037 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000313070266 434117854 /nfs/dbraw/zinc/11/78/54/434117854.db2.gz UNBVNCFSIGKFIG-LBPRGKRZSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2COCC2(C)C)CCN1Cc1ccccc1 ZINC000313130041 434123032 /nfs/dbraw/zinc/12/30/32/434123032.db2.gz YAZIGRIPSSCVBH-NXHRZFHOSA-N 1 0 302.462 3.054 10 0 DGAERO C[C@@H]1[C@@H](NC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000309844441 434101952 /nfs/dbraw/zinc/10/19/52/434101952.db2.gz XMCMPADWYFOUTC-QAPCUYQASA-N 1 0 315.461 3.281 10 0 DGAERO C[C@H]([NH2+]CCc1cn(C)cn1)c1cccc(Br)c1 ZINC000313291422 434124988 /nfs/dbraw/zinc/12/49/88/434124988.db2.gz GQBZSCNGHVHAAD-NSHDSACASA-N 1 0 308.223 3.076 10 0 DGAERO CC[C@H]([NH2+]CCc1cn(C)cn1)c1cccc(Br)c1 ZINC000313266067 434128708 /nfs/dbraw/zinc/12/87/08/434128708.db2.gz PUHKNVGETJAXBR-HNNXBMFYSA-N 1 0 322.250 3.466 10 0 DGAERO CC[C@@H]1C[C@@]1(NC(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc(C)c1 ZINC000507298502 294293513 /nfs/dbraw/zinc/29/35/13/294293513.db2.gz UPAWLGPIJZTTLK-SUMDDJOVSA-N 1 0 315.461 3.014 10 0 DGAERO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](CO)CC1CCCC1 ZINC000510930091 294396767 /nfs/dbraw/zinc/39/67/67/294396767.db2.gz FUOBHORYDFJLHI-GUYCJALGSA-N 1 0 322.424 3.074 10 0 DGAERO Brc1ccc(C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000286027528 434138839 /nfs/dbraw/zinc/13/88/39/434138839.db2.gz HQRRDJDBQXEHRA-HNNXBMFYSA-N 1 0 310.235 3.417 10 0 DGAERO C[C@@H]([NH2+]CCCc1cncn1C)c1ccccc1Br ZINC000314181420 434142598 /nfs/dbraw/zinc/14/25/98/434142598.db2.gz QBAOCANLFHJKOS-GFCCVEGCSA-N 1 0 322.250 3.466 10 0 DGAERO C[C@H]([NH2+]CCCc1cncn1C)c1ccccc1Br ZINC000314925461 434153799 /nfs/dbraw/zinc/15/37/99/434153799.db2.gz QBAOCANLFHJKOS-LBPRGKRZSA-N 1 0 322.250 3.466 10 0 DGAERO CSCCCC[NH2+]Cc1cccc(O)c1Br ZINC000315009901 434154993 /nfs/dbraw/zinc/15/49/93/434154993.db2.gz JKKYAVPACHAOGZ-UHFFFAOYSA-N 1 0 304.253 3.388 10 0 DGAERO c1nc2cnccn2c1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000363830572 434157028 /nfs/dbraw/zinc/15/70/28/434157028.db2.gz ISOJKBLQLMOGGT-UHFFFAOYSA-N 1 0 315.380 3.081 10 0 DGAERO OCCC1([NH2+]Cc2ccc(Br)c(F)c2)CCCC1 ZINC000512551080 294445896 /nfs/dbraw/zinc/44/58/96/294445896.db2.gz BGNTWAZPQKCNLL-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC(C)(C)N1CCOCC1 ZINC000513026497 294458796 /nfs/dbraw/zinc/45/87/96/294458796.db2.gz RVEMTJKALCOQCC-NTCAYCPXSA-N 1 0 322.880 3.444 10 0 DGAERO Cn1cc(C[NH+]2CCC(C3CCOCC3)CC2)c(C(C)(C)C)n1 ZINC000378437597 434179445 /nfs/dbraw/zinc/17/94/45/434179445.db2.gz GYVGORDUBNXDLN-UHFFFAOYSA-N 1 0 319.493 3.356 10 0 DGAERO c1sc2ccccc2c1N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423050295 434193842 /nfs/dbraw/zinc/19/38/42/434193842.db2.gz YWNKXQMTYKBYFW-SOUVJXGZSA-N 1 0 302.443 3.470 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCOCC[C@H]2C)c(C)c1 ZINC000378462142 434194460 /nfs/dbraw/zinc/19/44/60/434194460.db2.gz LZEYTCMOYLXXRT-QGZVFWFLSA-N 1 0 318.461 3.441 10 0 DGAERO c1cnn(CCCCC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000378501106 434205023 /nfs/dbraw/zinc/20/50/23/434205023.db2.gz MCHPUBAMOGVPAJ-RTBURBONSA-N 1 0 313.445 3.421 10 0 DGAERO C(=C\c1ccccc1)\CC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000450471863 434206992 /nfs/dbraw/zinc/20/69/92/434206992.db2.gz WNLHIPGPKYKOIU-KYLNKMBASA-N 1 0 301.430 3.360 10 0 DGAERO c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)o2)cc1 ZINC000364044116 434216488 /nfs/dbraw/zinc/21/64/88/434216488.db2.gz IVZAOCVCMFEJJC-INIZCTEOSA-N 1 0 320.396 3.196 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)CCN1Cc1ccccc1 ZINC000379650407 434256610 /nfs/dbraw/zinc/25/66/10/434256610.db2.gz RRGYABXBJLXTDW-SJLPKXTDSA-N 1 0 304.478 3.444 10 0 DGAERO c1ccc2c(c1)O[C@@H](C[NH2+][C@H]1CCOC3(CCC3)C1)CS2 ZINC000515351528 294554118 /nfs/dbraw/zinc/55/41/18/294554118.db2.gz JJYLQYODYYRIPQ-KBPBESRZSA-N 1 0 305.443 3.231 10 0 DGAERO C[C@H]([NH3+])[C@H](C)Nc1ncc(Br)c2ccsc21 ZINC000381647055 434269224 /nfs/dbraw/zinc/26/92/24/434269224.db2.gz XYQBPOZXEOPOQD-BQBZGAKWSA-N 1 0 300.225 3.206 10 0 DGAERO CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 ZINC000437492652 434272274 /nfs/dbraw/zinc/27/22/74/434272274.db2.gz RNVDUMOHFMLGSP-ZBFHGGJFSA-N 1 0 306.450 3.483 10 0 DGAERO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000450501511 434230034 /nfs/dbraw/zinc/23/00/34/434230034.db2.gz QBCUVCKDFJBPAI-RZQQEMMASA-N 1 0 313.441 3.420 10 0 DGAERO c1ccc2c(c1)SCC[C@H]2[NH2+]CCCNCc1cccnc1 ZINC000423192388 434278542 /nfs/dbraw/zinc/27/85/42/434278542.db2.gz VCBQFBGIXKGYTD-QGZVFWFLSA-N 1 0 313.470 3.388 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2Br)C1 ZINC000382495824 434279163 /nfs/dbraw/zinc/27/91/63/434279163.db2.gz LLNLEUYYRLLBKI-CMPLNLGQSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2sc(Br)cc21)C(C)(C)O ZINC000382348903 434280063 /nfs/dbraw/zinc/28/00/63/434280063.db2.gz GEFDABKZOQZOEK-APPZFPTMSA-N 1 0 304.253 3.247 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccnc(C#N)c1 ZINC000383082319 434282232 /nfs/dbraw/zinc/28/22/32/434282232.db2.gz FNNWVABJLZKVIX-QGZVFWFLSA-N 1 0 320.440 3.050 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000384225482 434292555 /nfs/dbraw/zinc/29/25/55/434292555.db2.gz FZQDYYFPHAGQOY-CMPLNLGQSA-N 1 0 315.244 3.340 10 0 DGAERO c1c(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)[nH]nc1-c1ccccc1 ZINC000516866990 294636106 /nfs/dbraw/zinc/63/61/06/294636106.db2.gz CYYKKNIQXGUMER-HKUYNNGSSA-N 1 0 310.445 3.183 10 0 DGAERO c1cc2c(c(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)c1)OCO2 ZINC000353648858 434303041 /nfs/dbraw/zinc/30/30/41/434303041.db2.gz QWLLHZMVNNVMLQ-MRXNPFEDSA-N 1 0 303.402 3.339 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000385862564 434303632 /nfs/dbraw/zinc/30/36/32/434303632.db2.gz ZWDYBMSYMYYXQM-FZMZJTMJSA-N 1 0 308.472 3.464 10 0 DGAERO c1ccc(OC2CCC2)c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358042105 434305298 /nfs/dbraw/zinc/30/52/98/434305298.db2.gz FBLXPYVCSMVUGG-IRXDYDNUSA-N 1 0 300.446 3.334 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000386361070 434307690 /nfs/dbraw/zinc/30/76/90/434307690.db2.gz ZJIHPUBKUUMWFE-FZMZJTMJSA-N 1 0 316.214 3.181 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000386289500 434310091 /nfs/dbraw/zinc/31/00/91/434310091.db2.gz PGBLIVSMRPBOKH-RISCZKNCSA-N 1 0 316.214 3.181 10 0 DGAERO c1nc(CC[NH+]2CC(c3nc4ccccc4s3)C2)cs1 ZINC000450641287 434310530 /nfs/dbraw/zinc/31/05/30/434310530.db2.gz YIXMIFFMCUVLOG-UHFFFAOYSA-N 1 0 301.440 3.395 10 0 DGAERO c1csc(-c2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752936 434315115 /nfs/dbraw/zinc/31/51/15/434315115.db2.gz CLJINYZNRNGBNE-DZGCQCFKSA-N 1 0 317.458 3.367 10 0 DGAERO c1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c2c(c1)OCCO2 ZINC000353663173 434316856 /nfs/dbraw/zinc/31/68/56/434316856.db2.gz CBUFDBFSTRTMGL-KRWDZBQOSA-N 1 0 317.429 3.381 10 0 DGAERO Cc1nc(C[NH2+]C(C2CC2)C2CC2)sc1Br ZINC000517217771 294661898 /nfs/dbraw/zinc/66/18/98/294661898.db2.gz FESWPJTWCWBYIR-UHFFFAOYSA-N 1 0 301.253 3.492 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000382649995 434278241 /nfs/dbraw/zinc/27/82/41/434278241.db2.gz XJDZWKVGUBHWFV-YZGWKJHDSA-N 1 0 316.489 3.134 10 0 DGAERO c1cncc(CNCCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000423190646 434278431 /nfs/dbraw/zinc/27/84/31/434278431.db2.gz RGOAEKHGMBJXAY-UYAOXDASSA-N 1 0 324.472 3.272 10 0 DGAERO CC[C@H](O)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000358169472 434362850 /nfs/dbraw/zinc/36/28/50/434362850.db2.gz PEUOMEZDPMTQGE-NZSAHSFTSA-N 1 0 304.478 3.038 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2c(C3CC3)nc3sccn23)CC1 ZINC000358174695 434364177 /nfs/dbraw/zinc/36/41/77/434364177.db2.gz YPOFDGCXZASWTM-UHFFFAOYSA-N 1 0 316.474 3.015 10 0 DGAERO CC(C)n1cncc1C[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000390676216 434367286 /nfs/dbraw/zinc/36/72/86/434367286.db2.gz VLLYRKSKMQANCW-INIZCTEOSA-N 1 0 300.450 3.074 10 0 DGAERO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000390856421 434371802 /nfs/dbraw/zinc/37/18/02/434371802.db2.gz KRCFLGWDZWBXAW-GUDVDZBRSA-N 1 0 316.489 3.180 10 0 DGAERO CC(C)C[C@H](C)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000358185216 434374985 /nfs/dbraw/zinc/37/49/85/434374985.db2.gz GRKXWMVYUSOBLF-HPBDAGMYSA-N 1 0 300.446 3.168 10 0 DGAERO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC[C@H](C)O)n2)cc1 ZINC000450738295 434379924 /nfs/dbraw/zinc/37/99/24/434379924.db2.gz NYZFGCHNOWSKRI-QWHCGFSZSA-N 1 0 303.406 3.111 10 0 DGAERO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000393323692 434388650 /nfs/dbraw/zinc/38/86/50/434388650.db2.gz TYJFIWOMJBBIFD-CKYFFXLPSA-N 1 0 300.244 3.097 10 0 DGAERO c1nc(CC[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cs1 ZINC000450754380 434388931 /nfs/dbraw/zinc/38/89/31/434388931.db2.gz HMTDQKPKVJNZHD-QGZVFWFLSA-N 1 0 300.427 3.207 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)[C@H](C)O1 ZINC000295389204 434339957 /nfs/dbraw/zinc/33/99/57/434339957.db2.gz LBUHMYHLHNYRTE-CTRAYCPCSA-N 1 0 302.462 3.053 10 0 DGAERO CCN1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000389287454 434345771 /nfs/dbraw/zinc/34/57/71/434345771.db2.gz WLFGFTIZPBRZGV-LLVKDONJSA-N 1 0 317.658 3.286 10 0 DGAERO CCN1CC[C@H]([NH2+][C@@H](C)c2sccc2Br)C1 ZINC000389167642 434346662 /nfs/dbraw/zinc/34/66/62/434346662.db2.gz MXTROQOJVPOFIF-UWVGGRQHSA-N 1 0 303.269 3.255 10 0 DGAERO CCN1CC[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000389191359 434348123 /nfs/dbraw/zinc/34/81/23/434348123.db2.gz VHCSEPYLVCPOJW-QMMMGPOBSA-N 1 0 323.687 3.348 10 0 DGAERO CC(=O)N1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)[C@H](C)C1 ZINC000438102844 434409080 /nfs/dbraw/zinc/40/90/80/434409080.db2.gz WXMOIAUIYFPNSG-LZQZEXGQSA-N 1 0 300.446 3.049 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cs1 ZINC000438119747 434412908 /nfs/dbraw/zinc/41/29/08/434412908.db2.gz KJTUVNBPUXBCDN-KBPBESRZSA-N 1 0 317.458 3.387 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000395253218 434413400 /nfs/dbraw/zinc/41/34/00/434413400.db2.gz ZGTWOLDIDXMSTI-IUODEOHRSA-N 1 0 312.251 3.398 10 0 DGAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccnc(C)n2)C12CCCCC2 ZINC000366425965 434414087 /nfs/dbraw/zinc/41/40/87/434414087.db2.gz DLQQDKAZIGJSKU-SJORKVTESA-N 1 0 303.450 3.345 10 0 DGAERO Cc1ccc(C[NH2+][C@H](C)Cc2ccc(Br)cc2)nn1 ZINC000396550017 434423188 /nfs/dbraw/zinc/42/31/88/434423188.db2.gz OHMFUXJGFGJCSL-GFCCVEGCSA-N 1 0 320.234 3.268 10 0 DGAERO Cc1cccc2ncc(C[NH2+]C[C@](C)(O)C3CCCCC3)n21 ZINC000359821225 434433977 /nfs/dbraw/zinc/43/39/77/434433977.db2.gz WWCDZSHEQFZTAA-SFHVURJKSA-N 1 0 301.434 3.064 10 0 DGAERO Cc1csc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)n1 ZINC000397442053 434434723 /nfs/dbraw/zinc/43/47/23/434434723.db2.gz HGSBPSRAXWRAJI-UHFFFAOYSA-N 1 0 313.467 3.235 10 0 DGAERO CN1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@@H]1c1cccs1 ZINC000438200771 434436375 /nfs/dbraw/zinc/43/63/75/434436375.db2.gz NXFPPXQLKXTOKQ-ZMSDIMECSA-N 1 0 308.491 3.147 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]([NH2+]CC1=CCOCC1)C2 ZINC000397791907 434440802 /nfs/dbraw/zinc/44/08/02/434440802.db2.gz SSNJTJPDWGFPMA-INIZCTEOSA-N 1 0 322.246 3.243 10 0 DGAERO Fc1cc(C[NH2+]CC2=CCOCC2)ccc1Br ZINC000397764905 434442462 /nfs/dbraw/zinc/44/24/62/434442462.db2.gz YAUBINDHGZAZNF-UHFFFAOYSA-N 1 0 300.171 3.025 10 0 DGAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@H]2C1 ZINC000398706490 434463519 /nfs/dbraw/zinc/46/35/19/434463519.db2.gz BGLNRPUSPWYCDH-UMVBOHGHSA-N 1 0 310.235 3.042 10 0 DGAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3csc(Br)c3)C[C@@H]2C1 ZINC000398795904 434465889 /nfs/dbraw/zinc/46/58/89/434465889.db2.gz RIPXTOOVUJBMGK-SDDRHHMPSA-N 1 0 316.264 3.103 10 0 DGAERO Cc1scc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1C ZINC000399941669 434481045 /nfs/dbraw/zinc/48/10/45/434481045.db2.gz PMBINJQSHQTTCU-UHFFFAOYSA-N 1 0 303.353 3.414 10 0 DGAERO Cc1scc(C[NH2+]C[C@H](O)COCc2ccccc2)c1C ZINC000399784617 434481388 /nfs/dbraw/zinc/48/13/88/434481388.db2.gz WDWNQVMAYRXCMR-KRWDZBQOSA-N 1 0 305.443 3.032 10 0 DGAERO CC[C@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)C[C@@H]1O ZINC000400071601 434483165 /nfs/dbraw/zinc/48/31/65/434483165.db2.gz HMDPKQFCXBIXHS-GWCFXTLKSA-N 1 0 304.217 3.075 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438473530 434488093 /nfs/dbraw/zinc/48/80/93/434488093.db2.gz DXYMJMNPKSMTTK-MGPQQGTHSA-N 1 0 320.399 3.346 10 0 DGAERO CCSCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400726825 434490301 /nfs/dbraw/zinc/49/03/01/434490301.db2.gz PPDZKCHWDRPOFA-KBPBESRZSA-N 1 0 316.511 3.365 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](C)Cc3ccccc3)[C@H]2C1 ZINC000521942445 294893700 /nfs/dbraw/zinc/89/37/00/294893700.db2.gz MOHACGWWXLXEEV-KNTRFNDTSA-N 1 0 314.473 3.102 10 0 DGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000401645976 434498578 /nfs/dbraw/zinc/49/85/78/434498578.db2.gz CQDDBTNFIKGSRN-CYBMUJFWSA-N 1 0 313.228 3.398 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)CO1 ZINC000402014452 434500118 /nfs/dbraw/zinc/50/01/18/434500118.db2.gz TUVUHFGHFCGOSU-SUZMYJTESA-N 1 0 312.207 3.040 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCc2cccc(Cl)c2C1 ZINC000458037351 434452898 /nfs/dbraw/zinc/45/28/98/434452898.db2.gz OTHHZTBDDLJZID-INIZCTEOSA-N 1 0 306.837 3.099 10 0 DGAERO CCO[C@@H]1C[C@](CO)([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1(C)C ZINC000438331692 434453495 /nfs/dbraw/zinc/45/34/95/434453495.db2.gz OZXKJJMBNDLYRV-PNYFIKQUSA-N 1 0 317.473 3.478 10 0 DGAERO CC(=O)c1cccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000450961267 434506727 /nfs/dbraw/zinc/50/67/27/434506727.db2.gz OYCRDLIPJWWTGV-INIZCTEOSA-N 1 0 311.385 3.139 10 0 DGAERO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000458196262 434523394 /nfs/dbraw/zinc/52/33/94/434523394.db2.gz DFMGHZMUBDZMCV-ZSHCYNCHSA-N 1 0 306.475 3.075 10 0 DGAERO CC(C)c1nc([C@H]2CCC[N@H+](C[C@@H]3CCO[C@H](C)C3)C2)no1 ZINC000408144814 434544970 /nfs/dbraw/zinc/54/49/70/434544970.db2.gz NRLNYQQFPHYVMA-KFWWJZLASA-N 1 0 307.438 3.188 10 0 DGAERO Cc1ccc(CNC(=O)C[N@@H+]2CCC3(C2)CCCCC3)cc1F ZINC000525637638 295023270 /nfs/dbraw/zinc/02/32/70/295023270.db2.gz VZCZDEMVFIUYLD-UHFFFAOYSA-N 1 0 318.436 3.407 10 0 DGAERO Cc1oc2nc(C[N@@H+]3CCCC(C)(C)CC3)nc(N)c2c1C ZINC000408365919 434567513 /nfs/dbraw/zinc/56/75/13/434567513.db2.gz UNVUPQAONXGMRR-UHFFFAOYSA-N 1 0 302.422 3.434 10 0 DGAERO C[NH+](C)[C@H]1CCC[C@H](NCc2ccsc2Br)C1 ZINC000527670399 295113278 /nfs/dbraw/zinc/11/32/78/295113278.db2.gz OBRHWMMLZSZTQL-RYUDHWBXSA-N 1 0 317.296 3.473 10 0 DGAERO CO[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1F)C1CC1 ZINC000527711573 295118765 /nfs/dbraw/zinc/11/87/65/295118765.db2.gz KJXXRPOIKUIKPF-NSHDSACASA-N 1 0 320.177 3.242 10 0 DGAERO c1nc(N2CCCC2)ncc1C[NH2+]CC(C1CCC1)C1CCC1 ZINC000527735829 295122835 /nfs/dbraw/zinc/12/28/35/295122835.db2.gz MQGVRLYNUVXXNL-UHFFFAOYSA-N 1 0 314.477 3.383 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000527807346 295133873 /nfs/dbraw/zinc/13/38/73/295133873.db2.gz ZIKKPMGYLRKQEI-QOBXEIRBSA-N 1 0 314.223 3.056 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000527807315 295133903 /nfs/dbraw/zinc/13/39/03/295133903.db2.gz ZFNMBTGXWXUOHT-SREGZZRCSA-N 1 0 304.253 3.412 10 0 DGAERO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000408391534 434568891 /nfs/dbraw/zinc/56/88/91/434568891.db2.gz CRPJZHBPIJWLSZ-OAHLLOKOSA-N 1 0 300.406 3.116 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000527998657 295162713 /nfs/dbraw/zinc/16/27/13/295162713.db2.gz BTYKYZWWLBTZEM-AEXBHSQCSA-N 1 0 302.462 3.053 10 0 DGAERO c1cn(-c2csc(C[NH+]3CCC(OC4CCC4)CC3)c2)cn1 ZINC000418087695 434583201 /nfs/dbraw/zinc/58/32/01/434583201.db2.gz DAYXEEIZRRRZRN-UHFFFAOYSA-N 1 0 317.458 3.467 10 0 DGAERO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1CCCC12CCC2 ZINC000444778273 295380455 /nfs/dbraw/zinc/38/04/55/295380455.db2.gz VQWMHUXGYGVYLM-OAHLLOKOSA-N 1 0 316.445 3.233 10 0 DGAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@H]1CC=CCC1 ZINC000333964236 295415362 /nfs/dbraw/zinc/41/53/62/295415362.db2.gz OTZBQHHHEWDUAR-ZVZYQTTQSA-N 1 0 314.429 3.042 10 0 DGAERO COCCC1(C)C[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000459638297 434641708 /nfs/dbraw/zinc/64/17/08/434641708.db2.gz YVHJIRVTHIYQNV-SFHVURJKSA-N 1 0 319.445 3.103 10 0 DGAERO Brc1ccc(-c2c[nH]c(C[NH2+][C@@H]3CC34CC4)n2)cc1 ZINC000424182076 434649549 /nfs/dbraw/zinc/64/95/49/434649549.db2.gz FSPAFDGOFXWCCP-CYBMUJFWSA-N 1 0 318.218 3.481 10 0 DGAERO O[C@@H](CC[NH2+]Cc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000349310642 434666844 /nfs/dbraw/zinc/66/68/44/434666844.db2.gz BDZJDYIYMRUMRU-JTQLQIEISA-N 1 0 301.230 3.108 10 0 DGAERO c1ncn(-c2ccc(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)cc2)n1 ZINC000371397998 434689961 /nfs/dbraw/zinc/68/99/61/434689961.db2.gz GQILHLNVQIDFCG-SJORKVTESA-N 1 0 314.458 3.127 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1)C(=O)OC(C)(C)C ZINC000459770409 434709091 /nfs/dbraw/zinc/70/90/91/434709091.db2.gz NBHAMDCFSRIVLP-LBPRGKRZSA-N 1 0 319.405 3.079 10 0 DGAERO c1c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)[nH]nc1-c1ccccc1 ZINC000354378961 434742025 /nfs/dbraw/zinc/74/20/25/434742025.db2.gz DAYSEJRDWFLVJI-IBGZPJMESA-N 1 0 323.440 3.468 10 0 DGAERO CC(=O)Nc1ccccc1C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000371899943 434768546 /nfs/dbraw/zinc/76/85/46/434768546.db2.gz SSMRXHILUYHDAF-UHFFFAOYSA-N 1 0 324.428 3.123 10 0 DGAERO C[C@H](CSc1nnc(-c2ccc(Cl)cc2)n1C)[NH+](C)C ZINC000460447005 434758315 /nfs/dbraw/zinc/75/83/15/434758315.db2.gz CXPHNSWBMZMKMO-SNVBAGLBSA-N 1 0 310.854 3.178 10 0 DGAERO Cc1cc2nnc(SC[C@@H](C)[NH+](C)C)n2c2ccccc12 ZINC000460440275 434758825 /nfs/dbraw/zinc/75/88/25/434758825.db2.gz XQCONUQNAMATMF-GFCCVEGCSA-N 1 0 300.431 3.233 10 0 DGAERO COC1([C@H](C)[NH2+]CCCn2ccc3ccccc32)CCOCC1 ZINC000453065983 434789444 /nfs/dbraw/zinc/78/94/44/434789444.db2.gz XYNOXWQAYONTBO-INIZCTEOSA-N 1 0 316.445 3.205 10 0 DGAERO COC1([C@@H](C)[NH2+]CCOc2ccc(C(C)C)cc2)CCOCC1 ZINC000453094207 434799007 /nfs/dbraw/zinc/79/90/07/434799007.db2.gz SCXWJVIQYGCAGW-MRXNPFEDSA-N 1 0 321.461 3.363 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453104481 434803650 /nfs/dbraw/zinc/80/36/50/434803650.db2.gz UENOBBSDHPLOOV-FUMNGEBKSA-N 1 0 314.473 3.198 10 0 DGAERO COC1([C@@H](C)[NH2+]CCCSc2ccccc2)CCOCC1 ZINC000453075195 434792098 /nfs/dbraw/zinc/79/20/98/434792098.db2.gz GYUGSOFTNYJVPG-OAHLLOKOSA-N 1 0 309.475 3.343 10 0 DGAERO c1ccc2c(c1)CO[C@@]21CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000361092673 434795555 /nfs/dbraw/zinc/79/55/55/434795555.db2.gz NGHIQQQZSJLTNT-HXUWFJFHSA-N 1 0 323.392 3.437 10 0 DGAERO CCC(CC)c1cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)on1 ZINC000453126729 434808592 /nfs/dbraw/zinc/80/85/92/434808592.db2.gz YNQJLSHFTYARCT-ZDUSSCGKSA-N 1 0 310.438 3.252 10 0 DGAERO CCCOc1cc(C)ccc1C[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453124952 434810209 /nfs/dbraw/zinc/81/02/09/434810209.db2.gz JACWYMSEUZUNTR-INIZCTEOSA-N 1 0 321.461 3.458 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccsc1 ZINC000453209471 434830321 /nfs/dbraw/zinc/83/03/21/434830321.db2.gz ILJXDJAJGNEQHG-KBMXLJTQSA-N 1 0 309.475 3.357 10 0 DGAERO C[C@@H](CCO)CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453224927 434832418 /nfs/dbraw/zinc/83/24/18/434832418.db2.gz CECTWJNKWGFJEL-BXUZGUMPSA-N 1 0 316.367 3.476 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000461311718 434876697 /nfs/dbraw/zinc/87/66/97/434876697.db2.gz ZSOMSPUPTBVLHB-FUHWJXTLSA-N 1 0 302.462 3.225 10 0 DGAERO CO[C@@]1(C)CCC[N@H+](Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000573151450 434877703 /nfs/dbraw/zinc/87/77/03/434877703.db2.gz JXKIOMVEEZZJMT-SFHVURJKSA-N 1 0 315.417 3.436 10 0 DGAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C2CCC(C)(C)CC2)c1 ZINC000573438510 434899936 /nfs/dbraw/zinc/89/99/36/434899936.db2.gz GUZDGLYCIBOISO-QGZVFWFLSA-N 1 0 319.445 3.187 10 0 DGAERO C=Cc1ccc(CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000462565175 434919601 /nfs/dbraw/zinc/91/96/01/434919601.db2.gz KRTULXGEKKIJSY-SFHVURJKSA-N 1 0 300.446 3.253 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000461217702 434874149 /nfs/dbraw/zinc/87/41/49/434874149.db2.gz NJSKQBJRUVRXOF-INIZCTEOSA-N 1 0 302.462 3.337 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCCC2CC2)C1 ZINC000522907447 434935429 /nfs/dbraw/zinc/93/54/29/434935429.db2.gz FBBCEHXCXZNMBA-GJZGRUSLSA-N 1 0 309.498 3.232 10 0 DGAERO COc1ccccc1/C=C\C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000523297497 434943012 /nfs/dbraw/zinc/94/30/12/434943012.db2.gz WAABFFLVUFRPHW-HWYHOQROSA-N 1 0 300.402 3.194 10 0 DGAERO Fc1ccc(OCC[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000523438827 434947440 /nfs/dbraw/zinc/94/74/40/434947440.db2.gz RWXDIBMILPPNDZ-AWEZNQCLSA-N 1 0 321.314 3.248 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000522344472 434922012 /nfs/dbraw/zinc/92/20/12/434922012.db2.gz BHRRUXBXCOQXKE-ZWKOTPCHSA-N 1 0 315.461 3.233 10 0 DGAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462792255 434930349 /nfs/dbraw/zinc/93/03/49/434930349.db2.gz DWQMCYBSHMTTJY-KRWDZBQOSA-N 1 0 318.461 3.216 10 0 DGAERO CC[NH+](CC)CCNC(=O)N1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000465447638 435029985 /nfs/dbraw/zinc/02/99/85/435029985.db2.gz ZARJLHLZYPEYMO-GOEBONIOSA-N 1 0 321.465 3.412 10 0 DGAERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C1CCC(F)(F)CC1 ZINC000555727809 434985874 /nfs/dbraw/zinc/98/58/74/434985874.db2.gz QOCITCXINCHEJA-CQSZACIVSA-N 1 0 302.409 3.145 10 0 DGAERO C[C@@H](O)CN(Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000524971693 435000031 /nfs/dbraw/zinc/00/00/31/435000031.db2.gz UYDOTEOCMCECNA-OAHLLOKOSA-N 1 0 323.396 3.120 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC2(C)C)[C@H]1c1cccs1 ZINC000531106646 435072304 /nfs/dbraw/zinc/07/23/04/435072304.db2.gz MYTLCTBHEQGBJG-HIFRSBDPSA-N 1 0 321.490 3.325 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCC3(C2)CCCCC3)C1 ZINC000531246056 435081974 /nfs/dbraw/zinc/08/19/74/435081974.db2.gz CNKQHSVYSATSNT-MRXNPFEDSA-N 1 0 307.482 3.083 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000465745996 435041432 /nfs/dbraw/zinc/04/14/32/435041432.db2.gz FESNOASUMRAGEW-WBVHZDCISA-N 1 0 309.498 3.234 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC2(C1)CCCCC2 ZINC000465760543 435043434 /nfs/dbraw/zinc/04/34/34/435043434.db2.gz ROOGNFRMIQTSNO-IRXDYDNUSA-N 1 0 321.509 3.473 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000465910834 435050184 /nfs/dbraw/zinc/05/01/84/435050184.db2.gz OWRCUXFXCIMLFF-YQQAZPJKSA-N 1 0 309.498 3.232 10 0 DGAERO CC[C@@H]1CCC[C@H](NC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000465988926 435055435 /nfs/dbraw/zinc/05/54/35/435055435.db2.gz ZZQRIJXQMIZHCY-WBVHZDCISA-N 1 0 309.498 3.376 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000465983145 435055982 /nfs/dbraw/zinc/05/59/82/435055982.db2.gz BRGHFMTWOGYNHI-QLPKVWCKSA-N 1 0 309.498 3.232 10 0 DGAERO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531614791 435104373 /nfs/dbraw/zinc/10/43/73/435104373.db2.gz CTIMXFCHPBLDLE-AWEZNQCLSA-N 1 0 308.422 3.235 10 0 DGAERO CCCc1occc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000467070367 435107607 /nfs/dbraw/zinc/10/76/07/435107607.db2.gz VOCANUHWZWVSBX-MRXNPFEDSA-N 1 0 306.450 3.472 10 0 DGAERO C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000579034340 435127323 /nfs/dbraw/zinc/12/73/23/435127323.db2.gz DPXMMVLLCFJFJF-LSDHHAIUSA-N 1 0 317.433 3.228 10 0 DGAERO CC(C)[N@H+](Cc1ccccc1)Cc1cnc(N2CCCC2)nc1 ZINC000532932540 435200271 /nfs/dbraw/zinc/20/02/71/435200271.db2.gz YTLQSQNRWXLTEI-UHFFFAOYSA-N 1 0 310.445 3.487 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475626899 435206166 /nfs/dbraw/zinc/20/61/66/435206166.db2.gz PUQJJNATFHWGDI-HNAYVOBHSA-N 1 0 321.436 3.417 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)C1CCCCC1)CC2 ZINC000474939332 435168175 /nfs/dbraw/zinc/16/81/75/435168175.db2.gz BEDIHVRMJKAGNI-HXUWFJFHSA-N 1 0 315.457 3.231 10 0 DGAERO CCN(C(=O)N[C@@H](C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475009343 435170525 /nfs/dbraw/zinc/17/05/25/435170525.db2.gz XZFFUSJJMZUNOW-MAUKXSAKSA-N 1 0 315.461 3.091 10 0 DGAERO C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532647366 435182127 /nfs/dbraw/zinc/18/21/27/435182127.db2.gz HUELUFJINOIEOM-IAGOWNOFSA-N 1 0 324.509 3.305 10 0 DGAERO C[C@H](C(=O)N([C@@H](C)c1ccccc1Cl)C1CC1)C1C[NH2+]C1 ZINC000262173860 298000869 /nfs/dbraw/zinc/00/08/69/298000869.db2.gz KKZJDLFBCNLWOP-RYUDHWBXSA-N 1 0 306.837 3.248 10 0 DGAERO c1csc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583871464 435251375 /nfs/dbraw/zinc/25/13/75/435251375.db2.gz JILINVTYZBJQFJ-INIZCTEOSA-N 1 0 313.470 3.430 10 0 DGAERO C[C@H](CC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)C1CC[NH2+]CC1 ZINC000262599834 298285780 /nfs/dbraw/zinc/28/57/80/298285780.db2.gz BGDSHCDYQMTGJS-ITMUERHQSA-N 1 0 304.478 3.049 10 0 DGAERO CC[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)C1(C(=O)OC)CCC1 ZINC000477850798 435280878 /nfs/dbraw/zinc/28/08/78/435280878.db2.gz DAESYNZPQMZFGK-WBVHZDCISA-N 1 0 311.466 3.029 10 0 DGAERO C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000477849855 435282280 /nfs/dbraw/zinc/28/22/80/435282280.db2.gz BMGATEUWTZRQHM-SCLBCKFNSA-N 1 0 305.418 3.397 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000478513917 435303361 /nfs/dbraw/zinc/30/33/61/435303361.db2.gz CZWDWJQTZFOOII-QLPKVWCKSA-N 1 0 309.498 3.232 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCC(C)(C)C2)CC1 ZINC000511380306 435321522 /nfs/dbraw/zinc/32/15/22/435321522.db2.gz RDQZZHKFXHKACP-INIZCTEOSA-N 1 0 309.498 3.329 10 0 DGAERO c1cnc2ccc(C[NH2+]CCc3cnc(C4CC4)nc3)cc2c1 ZINC000535186823 435322915 /nfs/dbraw/zinc/32/29/15/435322915.db2.gz RRWAQDHPYDEIOY-UHFFFAOYSA-N 1 0 304.397 3.235 10 0 DGAERO COCC[N@H+](CCCc1ccccc1)Cc1cnn2ccccc12 ZINC000512200771 435348419 /nfs/dbraw/zinc/34/84/19/435348419.db2.gz XZKYJFCDZXGONU-UHFFFAOYSA-N 1 0 323.440 3.416 10 0 DGAERO O=C(NC[C@@H]1CC[NH2+]C1)c1sc2cc(F)ccc2c1Cl ZINC000644109376 435413401 /nfs/dbraw/zinc/41/34/01/435413401.db2.gz WTZHXPYZRIQDTB-MRVPVSSYSA-N 1 0 312.797 3.033 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC(=O)NCC(F)(F)F ZINC000512999702 435375140 /nfs/dbraw/zinc/37/51/40/435375140.db2.gz TZUCISAGEDICLH-UXBLZVDNSA-N 1 0 320.742 3.011 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2ccccc2)C[C@@H]1C ZINC000513326152 435384170 /nfs/dbraw/zinc/38/41/70/435384170.db2.gz MUBNNDINZDJITK-XYJFISCASA-N 1 0 302.462 3.196 10 0 DGAERO COC(=O)[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC1 ZINC000513443610 435390404 /nfs/dbraw/zinc/39/04/04/435390404.db2.gz OLVDDBGTNCEYHR-GOSISDBHSA-N 1 0 316.445 3.079 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)CNc1ccn(CC[NH+](C)C)n1 ZINC000513514381 435391033 /nfs/dbraw/zinc/39/10/33/435391033.db2.gz WZBPQSGUHNMNSG-OWBHPGMISA-N 1 0 318.852 3.035 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC000513524032 435391219 /nfs/dbraw/zinc/39/12/19/435391219.db2.gz DNOFSEAWOQAMJB-RQPMMQJISA-N 1 0 306.837 3.342 10 0 DGAERO CC1(C)CCC[C@H](C[N@@H+]2CCCN(c3cccnn3)CC2)C1 ZINC000536656689 435397981 /nfs/dbraw/zinc/39/79/81/435397981.db2.gz ZXABPEHEMFCMDE-INIZCTEOSA-N 1 0 302.466 3.205 10 0 DGAERO CC(C)c1nn(C)cc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482086127 435450620 /nfs/dbraw/zinc/45/06/20/435450620.db2.gz CUBBFIKNVBTOHB-WBVHZDCISA-N 1 0 312.461 3.476 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc2c1OCC2 ZINC000482154124 435454433 /nfs/dbraw/zinc/45/44/33/435454433.db2.gz DUOFQOLYHBLOJB-HXUWFJFHSA-N 1 0 315.457 3.447 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc2c1OCC2 ZINC000482165804 435454743 /nfs/dbraw/zinc/45/47/43/435454743.db2.gz BZSVEJCYHBBZKC-QZTJIDSGSA-N 1 0 301.430 3.055 10 0 DGAERO COC(=O)[C@@H](C1CC1)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000481836063 435443353 /nfs/dbraw/zinc/44/33/53/435443353.db2.gz MUBJWENVWVWGQX-MRXNPFEDSA-N 1 0 307.821 3.471 10 0 DGAERO Cn1cc([C@H]([NH2+]CCOCC2CCC2)c2cccc(F)c2)cn1 ZINC000569418973 435530318 /nfs/dbraw/zinc/53/03/18/435530318.db2.gz HJKHZLMKODPNTE-GOSISDBHSA-N 1 0 317.408 3.055 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CC[C@H](c4cccnc4)C3)c2)cn1 ZINC000516470251 435534259 /nfs/dbraw/zinc/53/42/59/435534259.db2.gz KWCZJEMVPGBBSV-HNNXBMFYSA-N 1 0 310.426 3.318 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)CC2 ZINC000568936112 435484469 /nfs/dbraw/zinc/48/44/69/435484469.db2.gz CWEZIGIENTUXHB-CYBMUJFWSA-N 1 0 310.426 3.180 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000538315395 435492180 /nfs/dbraw/zinc/49/21/80/435492180.db2.gz HRWSKAAAWJGZTN-MOPGFXCFSA-N 1 0 310.441 3.353 10 0 DGAERO Cc1ccc(-c2cncc(C(=O)N(C)CCC[NH+](C)C)c2)cc1 ZINC000538316544 435493239 /nfs/dbraw/zinc/49/32/39/435493239.db2.gz ZKYKAHSKBJMFCZ-UHFFFAOYSA-N 1 0 311.429 3.081 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000540157330 435590875 /nfs/dbraw/zinc/59/08/75/435590875.db2.gz GHGHUTSDVXQXTE-PBHICJAKSA-N 1 0 317.477 3.439 10 0 DGAERO C[C@H]([NH2+]CCCC1CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000539071694 435538523 /nfs/dbraw/zinc/53/85/23/435538523.db2.gz SXTNHHAXDJYIJR-LPHOPBHVSA-N 1 0 302.462 3.228 10 0 DGAERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1(C)C ZINC000484287610 435541293 /nfs/dbraw/zinc/54/12/93/435541293.db2.gz GUGGBYAXDINZOV-DSLXNQLJSA-N 1 0 316.489 3.300 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000540702451 435614424 /nfs/dbraw/zinc/61/44/24/435614424.db2.gz UFSWTEPLNDSJRQ-APWZRJJASA-N 1 0 313.441 3.474 10 0 DGAERO C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000540824583 435620341 /nfs/dbraw/zinc/62/03/41/435620341.db2.gz FGLQLQXSIOCHDM-OAHLLOKOSA-N 1 0 305.422 3.118 10 0 DGAERO O=C(c1c(Cl)cccc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000517555559 435599273 /nfs/dbraw/zinc/59/92/73/435599273.db2.gz JHCSVYOMULXWMJ-HNNXBMFYSA-N 1 0 313.228 3.209 10 0 DGAERO COc1ccc(CC[C@@H](C)[NH2+]CCOCC2CCC2)cc1O ZINC000517656923 435605432 /nfs/dbraw/zinc/60/54/32/435605432.db2.gz QTWVHFUKEQPKQH-CQSZACIVSA-N 1 0 307.434 3.128 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000540507129 435606640 /nfs/dbraw/zinc/60/66/40/435606640.db2.gz UBERLMHATFMMGN-ZDFLXESQSA-N 1 0 317.408 3.194 10 0 DGAERO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000549037989 435734266 /nfs/dbraw/zinc/73/42/66/435734266.db2.gz YYZGSCMDHXAVFQ-BBRMVZONSA-N 1 0 323.444 3.285 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000491490776 435759739 /nfs/dbraw/zinc/75/97/39/435759739.db2.gz OOKYWWYXEYKWGP-HZPDHXFCSA-N 1 0 307.482 3.083 10 0 DGAERO CCCc1nc(C)c(NC(=O)NCC[N@H+]2CC=C(C)CC2)s1 ZINC000548602647 435704791 /nfs/dbraw/zinc/70/47/91/435704791.db2.gz NIMHCVMOFFQIMD-UHFFFAOYSA-N 1 0 322.478 3.178 10 0 DGAERO c1cc2c(cc1CN1CCO[C@H](C3CCCCC3)C1)C[NH2+]CC2 ZINC000571453259 435708059 /nfs/dbraw/zinc/70/80/59/435708059.db2.gz PJFBHLWRHKCEEJ-FQEVSTJZSA-N 1 0 314.473 3.113 10 0 DGAERO c1c(C[NH2+]C[C@@H]2CC23CCSCC3)[nH]nc1-c1cccnc1 ZINC000572592500 435844984 /nfs/dbraw/zinc/84/49/84/435844984.db2.gz KMFDFUOWDZWYCZ-AWEZNQCLSA-N 1 0 314.458 3.095 10 0 DGAERO C[C@]1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000150844653 300748424 /nfs/dbraw/zinc/74/84/24/300748424.db2.gz OMFJTXPLLZSZRU-TZMCWYRMSA-N 1 0 319.276 3.047 10 0 DGAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000263275960 300819389 /nfs/dbraw/zinc/81/93/89/300819389.db2.gz SVKQWLYAHWPNLK-XPCVCDNBSA-N 1 0 320.399 3.379 10 0 DGAERO CC(C)n1ccnc1CN[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000657429760 436197719 /nfs/dbraw/zinc/19/77/19/436197719.db2.gz VVZARPUEKBRFQW-INIZCTEOSA-N 1 0 300.450 3.074 10 0 DGAERO Cc1nc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]c1C ZINC000657432794 436197886 /nfs/dbraw/zinc/19/78/86/436197886.db2.gz KECJDRFUVBMVNP-IPMKNSEASA-N 1 0 324.472 3.027 10 0 DGAERO Cc1ccc([C@H]([NH2+]C[C@H](C)N2CCOCC2)C2CCC2)cc1 ZINC000186966567 301806495 /nfs/dbraw/zinc/80/64/95/301806495.db2.gz ZAHDVYKXQOBLPG-QFBILLFUSA-N 1 0 302.462 3.147 10 0 DGAERO Fc1nc(F)c(F)c(N2CCCC[C@@H]([NH+]3CCCC3)C2)c1F ZINC000268168371 303137999 /nfs/dbraw/zinc/13/79/99/303137999.db2.gz ZOLDCYRIWQQYQJ-SNVBAGLBSA-N 1 0 317.330 3.093 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000261769075 303426292 /nfs/dbraw/zinc/42/62/92/303426292.db2.gz OFHPNEHVYZBZQC-BRSBDYLESA-N 1 0 300.446 3.204 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc2cc[nH]c2c1 ZINC000132231744 312637584 /nfs/dbraw/zinc/63/75/84/312637584.db2.gz XJTAMJVQDRDMHD-SFHVURJKSA-N 1 0 321.424 3.071 10 0 DGAERO Cc1cccc(C[NH+](CCCCCO)Cc2cccc(C)n2)n1 ZINC000132636541 312647571 /nfs/dbraw/zinc/64/75/71/312647571.db2.gz LFLMVRFSQQJIPC-UHFFFAOYSA-N 1 0 313.445 3.258 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)C1CCCCC1 ZINC000166641893 312694846 /nfs/dbraw/zinc/69/48/46/312694846.db2.gz DPYFNCRBNKGULA-AEFFLSMTSA-N 1 0 304.482 3.337 10 0 DGAERO CC[NH+](CC)[C@@H](C(=O)NCCc1ccsc1)c1ccccc1 ZINC000171450678 312720810 /nfs/dbraw/zinc/72/08/10/312720810.db2.gz AVLYZKDUAVNVKX-QGZVFWFLSA-N 1 0 316.470 3.490 10 0 DGAERO CC(C)(C)C1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000172097994 312741679 /nfs/dbraw/zinc/74/16/79/312741679.db2.gz RMXCAMYTRFMKCE-OAHLLOKOSA-N 1 0 311.491 3.384 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC000177767265 312783704 /nfs/dbraw/zinc/78/37/04/312783704.db2.gz WFGAHGCATOLHDT-SNVBAGLBSA-N 1 0 318.339 3.151 10 0 DGAERO Brc1sccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000529531751 313218611 /nfs/dbraw/zinc/21/86/11/313218611.db2.gz QFSQDDCZPUZQKQ-CMPLNLGQSA-N 1 0 316.264 3.369 10 0 DGAERO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000530337169 313359264 /nfs/dbraw/zinc/35/92/64/313359264.db2.gz MNHAHKOGNNARLM-RYUDHWBXSA-N 1 0 305.340 3.438 10 0 DGAERO FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCc1cnccn1)CCC2 ZINC000530465299 313373665 /nfs/dbraw/zinc/37/36/65/313373665.db2.gz NAFRVQYHDMCLDA-AWEZNQCLSA-N 1 0 322.334 3.100 10 0 DGAERO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000532484867 313553590 /nfs/dbraw/zinc/55/35/90/313553590.db2.gz BNCXBLUTTCAUFK-VXGBXAGGSA-N 1 0 317.260 3.365 10 0 DGAERO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000533625208 313632044 /nfs/dbraw/zinc/63/20/44/313632044.db2.gz IEBHTSJXROWECM-PSOYPTMXSA-N 1 0 323.436 3.402 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000537213978 313801835 /nfs/dbraw/zinc/80/18/35/313801835.db2.gz FBRJBBWITPJPDI-UHFFFAOYSA-N 1 0 309.413 3.345 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000537215401 313802594 /nfs/dbraw/zinc/80/25/94/313802594.db2.gz DTUHQVPJYNQNNA-RBUKOAKNSA-N 1 0 310.441 3.353 10 0 DGAERO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CCc2ccccc2)cc1 ZINC000538140214 313849196 /nfs/dbraw/zinc/84/91/96/313849196.db2.gz DCUDRSXHLDHTJE-OAQYLSRUSA-N 1 0 324.468 3.201 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCCc2ccc(OC)c(OC)c2)C1(C)C ZINC000539499563 313915646 /nfs/dbraw/zinc/91/56/46/313915646.db2.gz HRTHEOVBAZDJSC-MSOLQXFVSA-N 1 0 321.461 3.430 10 0 DGAERO COC[C@@H](O)C[NH2+][C@H](c1ccccc1C)[C@@H]1CCC[C@@H](C)C1 ZINC000539727545 313926872 /nfs/dbraw/zinc/92/68/72/313926872.db2.gz ZUUGORXRDUYUOC-NWGLXNPWSA-N 1 0 305.462 3.459 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(CC)cc2)C(C)C)C1 ZINC000540316383 313956006 /nfs/dbraw/zinc/95/60/06/313956006.db2.gz UADMCIAQMPHFEP-MSOLQXFVSA-N 1 0 317.477 3.340 10 0 DGAERO CCNC(=O)[C@@H](C)[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000540822087 313977820 /nfs/dbraw/zinc/97/78/20/313977820.db2.gz OQNIYOOOMFGQBG-CRAIPNDOSA-N 1 0 302.462 3.292 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(Cl)c(F)c1 ZINC000541571895 314024225 /nfs/dbraw/zinc/02/42/25/314024225.db2.gz VXJKFPOANYQDML-ZYHUDNBSSA-N 1 0 319.829 3.097 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000542153527 314058725 /nfs/dbraw/zinc/05/87/25/314058725.db2.gz HUUBHDMUSRUDBV-RHSMWYFYSA-N 1 0 306.425 3.137 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)NCC[C@@H](C)c2ccccc2)CC1 ZINC000542665609 314089848 /nfs/dbraw/zinc/08/98/48/314089848.db2.gz HNXZZCRJGUBMPF-QGZVFWFLSA-N 1 0 315.461 3.131 10 0 DGAERO Cn1ccc([C@H]([NH2+]CC2CCOCC2)c2ccc(Cl)cc2)n1 ZINC000542678354 314090570 /nfs/dbraw/zinc/09/05/70/314090570.db2.gz RMZNNCIDTQVNIM-QGZVFWFLSA-N 1 0 319.836 3.179 10 0 DGAERO C[C@@H](NC(=O)NCCCC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542829873 314102061 /nfs/dbraw/zinc/10/20/61/314102061.db2.gz DLIAVHIKLPDAQY-GDBMZVCRSA-N 1 0 307.482 3.129 10 0 DGAERO COC(=O)c1ccc(-c2nc(C[N@@H+]3C[C@H](C)C[C@@H]3C)co2)cc1 ZINC000542933195 314107524 /nfs/dbraw/zinc/10/75/24/314107524.db2.gz XOLIZOFPUMYPIW-OLZOCXBDSA-N 1 0 314.385 3.359 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000543190016 314119216 /nfs/dbraw/zinc/11/92/16/314119216.db2.gz WRVQCAIDLDXFDM-MRXNPFEDSA-N 1 0 315.461 3.246 10 0 DGAERO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000543811001 314159138 /nfs/dbraw/zinc/15/91/38/314159138.db2.gz MFRJBXYVAKQMRQ-GUYCJALGSA-N 1 0 305.393 3.347 10 0 DGAERO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)C[C@@H]2CC=CCC2)c1 ZINC000544104359 314173381 /nfs/dbraw/zinc/17/33/81/314173381.db2.gz ASSTXGVLHJALML-MSOLQXFVSA-N 1 0 303.446 3.331 10 0 DGAERO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCN1CC=C(C)CC1 ZINC000545158420 314228784 /nfs/dbraw/zinc/22/87/84/314228784.db2.gz KMWVLCIIASCNSJ-IBGZPJMESA-N 1 0 320.452 3.015 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc2c1OCO2 ZINC000545199376 314231896 /nfs/dbraw/zinc/23/18/96/314231896.db2.gz YSUWFZVROCJOCN-YESZJQIVSA-N 1 0 317.429 3.143 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccnn2-c2ccccc2)[nH]n1 ZINC000545275705 314240500 /nfs/dbraw/zinc/24/05/00/314240500.db2.gz ZARCJMYIBVCFOA-HIFRSBDPSA-N 1 0 309.417 3.186 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccnn2-c2ccccc2)[nH]n1 ZINC000545275704 314240673 /nfs/dbraw/zinc/24/06/73/314240673.db2.gz ZARCJMYIBVCFOA-DZGCQCFKSA-N 1 0 309.417 3.186 10 0 DGAERO CCCOc1ccccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545870674 314271569 /nfs/dbraw/zinc/27/15/69/314271569.db2.gz SMORMLVFCLJJIO-UHFFFAOYSA-N 1 0 317.433 3.249 10 0 DGAERO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000546573462 314312045 /nfs/dbraw/zinc/31/20/45/314312045.db2.gz MBDHBSDAAFUGTO-IRXDYDNUSA-N 1 0 302.462 3.429 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000547283749 314353211 /nfs/dbraw/zinc/35/32/11/314353211.db2.gz NFURUVNGJZZKSB-IRXDYDNUSA-N 1 0 318.848 3.212 10 0 DGAERO c1[nH]nc2cc(C[NH2+]C3CC(OCc4ccccc4)C3)ccc12 ZINC000547331663 314356334 /nfs/dbraw/zinc/35/63/34/314356334.db2.gz QJTUPYWADIQMQY-UHFFFAOYSA-N 1 0 307.397 3.400 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CC1(CSc2ccccc2)CC1 ZINC000547456435 314369406 /nfs/dbraw/zinc/36/94/06/314369406.db2.gz AORGJYITDUXDHN-UHFFFAOYSA-N 1 0 320.502 3.359 10 0 DGAERO c1ccc([C@H]([NH2+][C@H]2CCC23CCOCC3)[C@@H]2CCOC2)cc1 ZINC000548858110 314479907 /nfs/dbraw/zinc/47/99/07/314479907.db2.gz HDRBSVFUHDZHEO-SQNIBIBYSA-N 1 0 301.430 3.313 10 0 DGAERO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000548873421 314481305 /nfs/dbraw/zinc/48/13/05/314481305.db2.gz PVFVGXHYEVPBRW-QGZVFWFLSA-N 1 0 319.412 3.044 10 0 DGAERO Cc1cc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)on1 ZINC000552096136 314596501 /nfs/dbraw/zinc/59/65/01/314596501.db2.gz RWRUYKYUFAUVST-NSHDSACASA-N 1 0 321.808 3.186 10 0 DGAERO COc1cccc2c1CCC[C@@H]2[NH2+]C1CCC(NC(C)=O)CC1 ZINC000554403309 314679401 /nfs/dbraw/zinc/67/94/01/314679401.db2.gz PZDYDSRLZMUOLD-JMLCCBQJSA-N 1 0 316.445 3.110 10 0 DGAERO COc1nc2ccccc2cc1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000555340920 314720386 /nfs/dbraw/zinc/72/03/86/314720386.db2.gz XQWSGBMKTJQNBU-KRWDZBQOSA-N 1 0 322.412 3.144 10 0 DGAERO CC(C)Cc1ccc([C@H](C)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000555689554 314733229 /nfs/dbraw/zinc/73/32/29/314733229.db2.gz SIFKCRJRCBPECQ-INIZCTEOSA-N 1 0 304.478 3.399 10 0 DGAERO C[C@H](CCC1CCCC1)[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000556920512 314788363 /nfs/dbraw/zinc/78/83/63/314788363.db2.gz IZHVGSIFZXDSEU-CQSZACIVSA-N 1 0 301.496 3.292 10 0 DGAERO c1c2cccnc2oc1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000562653716 315039779 /nfs/dbraw/zinc/03/97/79/315039779.db2.gz MATKYZCXNZASDU-AWEZNQCLSA-N 1 0 310.353 3.148 10 0 DGAERO Clc1ccc(Br)c(CNCCC[NH+]2CCC2)c1 ZINC000563414868 315112663 /nfs/dbraw/zinc/11/26/63/315112663.db2.gz AOKYPVGBSVMMLV-UHFFFAOYSA-N 1 0 317.658 3.288 10 0 DGAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000563439599 315115657 /nfs/dbraw/zinc/11/56/57/315115657.db2.gz GRMLREVWKZZOFI-KKUMJFAQSA-N 1 0 301.496 3.291 10 0 DGAERO Fc1ccc(CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1F ZINC000563931212 315147877 /nfs/dbraw/zinc/14/78/77/315147877.db2.gz SOIGUHGBXMACPY-UHFFFAOYSA-N 1 0 303.312 3.280 10 0 DGAERO Cn1cc(-c2ccc(C[NH2+]C3(CCO)CCCCC3)s2)cn1 ZINC000563967908 315151055 /nfs/dbraw/zinc/15/10/55/315151055.db2.gz DULPVWOJPGJHIA-UHFFFAOYSA-N 1 0 319.474 3.324 10 0 DGAERO c1nc(C2CC2)sc1CN1CCC2(C1)Oc1ccccc1O2 ZINC000564381789 315172343 /nfs/dbraw/zinc/17/23/43/315172343.db2.gz WLDRXTGJSYGWLE-UHFFFAOYSA-N 1 0 314.410 3.394 10 0 DGAERO CCC[C@@]1(CO)CCC[N@@H+]1Cc1nc(-c2ccc(C)cc2)no1 ZINC000565813336 315288927 /nfs/dbraw/zinc/28/89/27/315288927.db2.gz PZBIQDACTYTEQM-SFHVURJKSA-N 1 0 315.417 3.172 10 0 DGAERO c1sc(CN2CC[C@]3(C2)CCC[NH2+]C3)nc1-c1ccccc1 ZINC000566230398 315324547 /nfs/dbraw/zinc/32/45/47/315324547.db2.gz NQYJBSRCNVKZCA-GOSISDBHSA-N 1 0 313.470 3.386 10 0 DGAERO Cc1ccc(-c2noc(C[N@H+]3CCSC[C@@H](C)C3)n2)cc1 ZINC000566538339 315356054 /nfs/dbraw/zinc/35/60/54/315356054.db2.gz KAGGPPOPNCZLKK-ZDUSSCGKSA-N 1 0 303.431 3.230 10 0 DGAERO c1ccc(N2CCO[C@H](C[NH2+]C3(C4CCC4)CCC3)C2)cc1 ZINC000567058915 315393957 /nfs/dbraw/zinc/39/39/57/315393957.db2.gz IQLCIQIESLRHLA-GOSISDBHSA-N 1 0 300.446 3.204 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H]3CC(C)=C[C@@H](C)C3)[C@@H]2C1 ZINC000572269942 315779859 /nfs/dbraw/zinc/77/98/59/315779859.db2.gz YPOKRYDPKIECIJ-DTBDJWGBSA-N 1 0 304.478 3.215 10 0 DGAERO CC[NH+]1CCC(CNC(=O)c2cc(O)c3ccccc3c2)CC1 ZINC000576197877 316104806 /nfs/dbraw/zinc/10/48/06/316104806.db2.gz YACVNWVMLOUNGL-UHFFFAOYSA-N 1 0 312.413 3.007 10 0 DGAERO Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N(C)CCC[NH+](C)C ZINC000576646229 316152893 /nfs/dbraw/zinc/15/28/93/316152893.db2.gz BBDGMUDEPCZIBN-HOTGVXAUSA-N 1 0 302.462 3.386 10 0 DGAERO CCc1nc(C(C)(C)NC[C@@H]2CCC3(CCCCC3)O2)no1 ZINC000576693803 316157160 /nfs/dbraw/zinc/15/71/60/316157160.db2.gz YYLFSDOPMJNQPV-ZDUSSCGKSA-N 1 0 307.438 3.339 10 0 DGAERO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000180140301 323222003 /nfs/dbraw/zinc/22/20/03/323222003.db2.gz NDBAFVKKWAVRNE-RTBURBONSA-N 1 0 324.424 3.261 10 0 DGAERO Cc1c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1N(C)C ZINC000180131701 323222162 /nfs/dbraw/zinc/22/21/62/323222162.db2.gz PLZRKBMLLYGHAD-UKRRQHHQSA-N 1 0 318.465 3.007 10 0 DGAERO Cc1cc(C)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180170838 323223263 /nfs/dbraw/zinc/22/32/63/323223263.db2.gz ZFSASMWEPREFSL-RBUKOAKNSA-N 1 0 308.425 3.479 10 0 DGAERO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)NC(C)(C)C)oc21 ZINC000180356901 323227630 /nfs/dbraw/zinc/22/76/30/323227630.db2.gz BBDOKWBFROXOLB-LBPRGKRZSA-N 1 0 318.417 3.397 10 0 DGAERO c1oc(CN2CC[NH+](C3CCCC3)CC2)nc1-c1ccccc1 ZINC000180479214 323229747 /nfs/dbraw/zinc/22/97/47/323229747.db2.gz ZHRWLUVBSGYBQG-UHFFFAOYSA-N 1 0 311.429 3.402 10 0 DGAERO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccoc2)N2CCOCC2)s1 ZINC000180657574 323235252 /nfs/dbraw/zinc/23/52/52/323235252.db2.gz OCCZBZZOZANITE-GDBMZVCRSA-N 1 0 320.458 3.374 10 0 DGAERO CC[C@H]([NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1)C(C)C ZINC000180658825 323235273 /nfs/dbraw/zinc/23/52/73/323235273.db2.gz JWJODQVKEOZMEN-JKSUJKDBSA-N 1 0 310.507 3.454 10 0 DGAERO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccoc2)N2CCOCC2)s1 ZINC000180657556 323235378 /nfs/dbraw/zinc/23/53/78/323235378.db2.gz OCCZBZZOZANITE-HOCLYGCPSA-N 1 0 320.458 3.374 10 0 DGAERO Cc1ccc([C@H](C[NH2+]C(C2CC2)C2CC2)N2CCOCC2)s1 ZINC000180659547 323235544 /nfs/dbraw/zinc/23/55/44/323235544.db2.gz SKGKOGHNNKPHMP-INIZCTEOSA-N 1 0 320.502 3.208 10 0 DGAERO Cc1cccc([C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C(C)(C)C)c1 ZINC000180797894 323238652 /nfs/dbraw/zinc/23/86/52/323238652.db2.gz RDPDHVMCSLPHHI-GOEBONIOSA-N 1 0 311.491 3.353 10 0 DGAERO C[C@@H](C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C)CS(C)(=O)=O ZINC000181068449 323245006 /nfs/dbraw/zinc/24/50/06/323245006.db2.gz WUGDBICXDOZGCD-SWLSCSKDSA-N 1 0 315.454 3.183 10 0 DGAERO CC(C)(C)[NH+]1CCC(NC(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000181160208 323247269 /nfs/dbraw/zinc/24/72/69/323247269.db2.gz HNVOSJLRFFDGOI-UHFFFAOYSA-N 1 0 317.408 3.300 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181225971 323249789 /nfs/dbraw/zinc/24/97/89/323249789.db2.gz LCNBNJGKWCNMDI-NVXWUHKLSA-N 1 0 318.461 3.049 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181257391 323250608 /nfs/dbraw/zinc/25/06/08/323250608.db2.gz CKBRMRIAKUCYTL-CYBMUJFWSA-N 1 0 305.397 3.013 10 0 DGAERO c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000181299765 323250952 /nfs/dbraw/zinc/25/09/52/323250952.db2.gz KWRKQIWYMQWIKE-KRWDZBQOSA-N 1 0 319.412 3.246 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(-c2cccnc2)cc1 ZINC000181278300 323251139 /nfs/dbraw/zinc/25/11/39/323251139.db2.gz GWNBQTVBZPIETP-OAHLLOKOSA-N 1 0 323.440 3.268 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2c(C)nn(C)c2C)C1(CC)CC ZINC000181440327 323254155 /nfs/dbraw/zinc/25/41/55/323254155.db2.gz PEEGLIIJJOXMIK-SJORKVTESA-N 1 0 307.482 3.153 10 0 DGAERO C[C@H](C[NH2+]CCNC(=O)c1ccccc1F)Cc1ccccc1 ZINC000182069626 323282128 /nfs/dbraw/zinc/28/21/28/323282128.db2.gz CZJXRICXCWBMHS-HNNXBMFYSA-N 1 0 314.404 3.024 10 0 DGAERO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000182054131 323282197 /nfs/dbraw/zinc/28/21/97/323282197.db2.gz ZIMYITCRKXAVKM-NWDGAFQWSA-N 1 0 319.371 3.122 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCCc2c(C)nn(C)c2C)C12CCCC2 ZINC000182109702 323283339 /nfs/dbraw/zinc/28/33/39/323283339.db2.gz JBNWXJPJPQZCQD-MSOLQXFVSA-N 1 0 319.493 3.297 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)s1 ZINC000182295166 323291075 /nfs/dbraw/zinc/29/10/75/323291075.db2.gz QWDJRGINGOHZAI-JTQLQIEISA-N 1 0 319.382 3.114 10 0 DGAERO COc1c(C)cnc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1C ZINC000182283640 323291165 /nfs/dbraw/zinc/29/11/65/323291165.db2.gz SLZQKFFSYKXCBG-ZDUSSCGKSA-N 1 0 314.385 3.287 10 0 DGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182356854 323295353 /nfs/dbraw/zinc/29/53/53/323295353.db2.gz ROPRSRLRIAWNFE-CWRNSKLLSA-N 1 0 320.481 3.028 10 0 DGAERO C[C@H](C(=O)OC(C)(C)C)N(C)CCC(=O)c1ccc(F)cc1 ZINC000182394514 323296891 /nfs/dbraw/zinc/29/68/91/323296891.db2.gz YCQJRVLYZMHSOP-GFCCVEGCSA-N 1 0 309.381 3.061 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@H](C)Cn2ccnc2C)cc1 ZINC000182461856 323299615 /nfs/dbraw/zinc/29/96/15/323299615.db2.gz LDIBKYLMGJESAF-LSDHHAIUSA-N 1 0 301.434 3.230 10 0 DGAERO CCC[C@H](C(=O)N[C@H]1CCCOc2c(Cl)cccc21)[NH+](C)C ZINC000182566754 323305405 /nfs/dbraw/zinc/30/54/05/323305405.db2.gz HSVVYLDOZDQFON-LSDHHAIUSA-N 1 0 324.852 3.400 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000183004622 323319550 /nfs/dbraw/zinc/31/95/50/323319550.db2.gz HGBPLJYDUCFCII-ROKHWSDSSA-N 1 0 320.399 3.203 10 0 DGAERO COc1c(C[N@@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)c(C)nn1C ZINC000183213265 323330349 /nfs/dbraw/zinc/33/03/49/323330349.db2.gz SITJTHIGQFREEN-INIZCTEOSA-N 1 0 313.445 3.343 10 0 DGAERO CC(C)[C@@H]([NH2+]CCCn1ccnn1)c1ccc(Cl)cc1F ZINC000184274905 323361117 /nfs/dbraw/zinc/36/11/17/323361117.db2.gz QSYWPNGDPHNQAQ-OAHLLOKOSA-N 1 0 310.804 3.448 10 0 DGAERO CCC[C@@H](C(=O)Nc1nc(Cc2ccccc2)cs1)[NH+](C)C ZINC000184491278 323366351 /nfs/dbraw/zinc/36/63/51/323366351.db2.gz SHVUPZNMYSJQLT-HNNXBMFYSA-N 1 0 317.458 3.403 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(Br)s1 ZINC000185369128 323388630 /nfs/dbraw/zinc/38/86/30/323388630.db2.gz NYGRMJUWLCEAFX-JTQLQIEISA-N 1 0 306.269 3.349 10 0 DGAERO COC[C@H](C)C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000188031751 323421231 /nfs/dbraw/zinc/42/12/31/323421231.db2.gz LVJZWPQHRIJTJT-GFCCVEGCSA-N 1 0 312.251 3.353 10 0 DGAERO COC[C@@H](C)C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000188160368 323423605 /nfs/dbraw/zinc/42/36/05/323423605.db2.gz JRYRFJJAXYPZNT-NSHDSACASA-N 1 0 320.355 3.130 10 0 DGAERO Cn1c2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2sc1=O ZINC000192563447 323454961 /nfs/dbraw/zinc/45/49/61/323454961.db2.gz WBMYZLOOMTVQNP-HOTGVXAUSA-N 1 0 324.449 3.493 10 0 DGAERO CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000193009496 323460760 /nfs/dbraw/zinc/46/07/60/323460760.db2.gz NRQVDAVAVLLIOI-HZPDHXFCSA-N 1 0 314.433 3.027 10 0 DGAERO C[C@@H]1C[C@H]1[NH2+]Cc1c(F)ccc(I)c1F ZINC000378719079 323605037 /nfs/dbraw/zinc/60/50/37/323605037.db2.gz DUUYURMYRPIKOX-LHLIQPBNSA-N 1 0 323.124 3.067 10 0 DGAERO CO[C@@H]([C@H](C)[NH2+]Cc1ccsc1Br)C1CC1 ZINC000388731227 323654728 /nfs/dbraw/zinc/65/47/28/323654728.db2.gz DPKFLULIKARPDN-KWQFWETISA-N 1 0 304.253 3.414 10 0 DGAERO C[C@@H](F)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000580435691 323997650 /nfs/dbraw/zinc/99/76/50/323997650.db2.gz HVXCTVFUDQCZAR-KOLCDFICSA-N 1 0 310.196 3.071 10 0 DGAERO CC[C@@H]([NH2+]CCc1ccccc1Br)c1ccn(C)n1 ZINC000581576065 324132354 /nfs/dbraw/zinc/13/23/54/324132354.db2.gz PEHQYADQLDZMNY-CQSZACIVSA-N 1 0 322.250 3.466 10 0 DGAERO Cn1cc(-c2ccc(C[NH2+]CCOCC3CCC3)s2)cn1 ZINC000583131261 324316908 /nfs/dbraw/zinc/31/69/08/324316908.db2.gz CXYSYILQGAZQSH-UHFFFAOYSA-N 1 0 305.447 3.055 10 0 DGAERO CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000584596141 337374043 /nfs/dbraw/zinc/37/40/43/337374043.db2.gz QBKJIYIDKJAIGO-QGZVFWFLSA-N 1 0 315.413 3.259 10 0 DGAERO CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(OC)c(OC)c1 ZINC000584596140 337374056 /nfs/dbraw/zinc/37/40/56/337374056.db2.gz QBKJIYIDKJAIGO-KRWDZBQOSA-N 1 0 315.413 3.259 10 0 DGAERO CC(C)[N@@H+]1CC[C@@H]([C@](C(N)=O)(c2ccccc2)C2CCCC2)C1 ZINC000584633798 337377559 /nfs/dbraw/zinc/37/75/59/337377559.db2.gz MTJMHBZMNZKIRT-QUCCMNQESA-N 1 0 314.473 3.330 10 0 DGAERO Cc1ccc2c(n1)C(=O)OC21CC[NH+](Cc2ccccc2)CC1 ZINC000584649542 337380486 /nfs/dbraw/zinc/38/04/86/337380486.db2.gz BHSPHGLVIPVORZ-UHFFFAOYSA-N 1 0 308.381 3.052 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2Br)[C@H](C)O1 ZINC000394918961 1176771837 /nfs/dbraw/zinc/77/18/37/1176771837.db2.gz RKPHQBGPCNMJAK-VYUIOLGVSA-N 1 0 302.187 3.244 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)[S@@](C)=O ZINC000160160130 533940230 /nfs/dbraw/zinc/94/02/30/533940230.db2.gz CBIJYZKUMCAFKP-YBYGRFCBSA-N 1 0 311.344 3.091 10 0 DGAERO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCCC12CCC2 ZINC000444786500 534056983 /nfs/dbraw/zinc/05/69/83/534056983.db2.gz VEEGQKDFVSWPTP-AWEZNQCLSA-N 1 0 304.409 3.364 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCC(=O)OC(C)C ZINC000173586246 534110956 /nfs/dbraw/zinc/11/09/56/534110956.db2.gz XYQUPICZKIBQCB-INIZCTEOSA-N 1 0 305.418 3.044 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([C@@H](C)OC)c2)C1 ZINC000103291957 519862298 /nfs/dbraw/zinc/86/22/98/519862298.db2.gz IFIVOEFGXZHIQR-CABCVRRESA-N 1 0 319.449 3.247 10 0 DGAERO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3cccc(C)c3)CC2)n1 ZINC000173683903 534470207 /nfs/dbraw/zinc/47/02/07/534470207.db2.gz QMRXXVRPXXMMNL-GJZGRUSLSA-N 1 0 314.433 3.126 10 0 DGAERO NC(=O)c1c[nH+]ccc1N[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000302210303 534512123 /nfs/dbraw/zinc/51/21/23/534512123.db2.gz GIJAMPUKGJNKAU-OTYXRUKQSA-N 1 0 322.195 3.455 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(OC(F)(F)F)c1 ZINC000154630603 520830373 /nfs/dbraw/zinc/83/03/73/520830373.db2.gz WSEKRZRUEFWFOW-NSHDSACASA-N 1 0 318.339 3.045 10 0 DGAERO [NH3+]CCC[C@@H](Nc1ncncc1Br)c1ccccc1 ZINC000312080754 534620705 /nfs/dbraw/zinc/62/07/05/534620705.db2.gz SWZATMSBTNDSAT-CYBMUJFWSA-N 1 0 321.222 3.131 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCc3ccccc3C)[C@H]2C1 ZINC000158025671 523724977 /nfs/dbraw/zinc/72/49/77/523724977.db2.gz IMCZFFRWRSFGFG-CEXWTWQISA-N 1 0 303.446 3.196 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000450658577 534789416 /nfs/dbraw/zinc/78/94/16/534789416.db2.gz DKZAXWNVNOLUJV-CPFSXVBKSA-N 1 0 308.180 3.123 10 0 DGAERO COc1ccc([C@H](C)NCC[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000156638115 525320018 /nfs/dbraw/zinc/32/00/18/525320018.db2.gz KGFCLUWUECAXQC-CABCVRRESA-N 1 0 306.450 3.229 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]CCCc1cnn(C)c1)CCCO2 ZINC000158298187 525603375 /nfs/dbraw/zinc/60/33/75/525603375.db2.gz MNZZUPMSJYVUSY-GOSISDBHSA-N 1 0 313.445 3.473 10 0 DGAERO Cc1csc(C2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1 ZINC000156802742 526329502 /nfs/dbraw/zinc/32/95/02/526329502.db2.gz OJQHKGGLNUTJPM-UHFFFAOYSA-N 1 0 304.463 3.181 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)NCc1ccccc1OC1CCC1 ZINC000237959471 526411163 /nfs/dbraw/zinc/41/11/63/526411163.db2.gz FWCHRIIADSZEGQ-UHFFFAOYSA-N 1 0 316.445 3.014 10 0 DGAERO c1cncc(-c2ccc(N3CCC([NH+]4CCCC4)CC3)nc2)c1 ZINC000088343400 526544359 /nfs/dbraw/zinc/54/43/59/526544359.db2.gz FQBLAXIYXVZZAI-UHFFFAOYSA-N 1 0 308.429 3.208 10 0 DGAERO Cc1nc(CN2CCC[C@H]([NH+]3CCCC3)CC2)nc2ccccc12 ZINC000157170488 526859688 /nfs/dbraw/zinc/85/96/88/526859688.db2.gz QNWKERDAMNYVIE-KRWDZBQOSA-N 1 0 324.472 3.389 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444616522 527122002 /nfs/dbraw/zinc/12/20/02/527122002.db2.gz IXRJTQYIZIZDSY-HNNXBMFYSA-N 1 0 310.482 3.010 10 0 DGAERO Cc1nc2cc(NC(=O)N(CC[NH+](C)C)CC(C)C)ccc2o1 ZINC000157824564 527125444 /nfs/dbraw/zinc/12/54/44/527125444.db2.gz ZNYCQZGRNAKFBO-UHFFFAOYSA-N 1 0 318.421 3.188 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000154885928 527143851 /nfs/dbraw/zinc/14/38/51/527143851.db2.gz GKPPSLXGFWNQCW-ARFHVFGLSA-N 1 0 310.482 3.009 10 0 DGAERO [NH3+]CCCCCCC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000237994296 527174335 /nfs/dbraw/zinc/17/43/35/527174335.db2.gz CHRCTSAHVGSCNX-IBGZPJMESA-N 1 0 311.429 3.196 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000156855834 527401671 /nfs/dbraw/zinc/40/16/71/527401671.db2.gz BJOJAMOZVHLZRM-BDAKNGLRSA-N 1 0 315.186 3.044 10 0 DGAERO OCCC1(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000157485966 527533279 /nfs/dbraw/zinc/53/32/79/527533279.db2.gz VOILNJGZLROVSH-AWEZNQCLSA-N 1 0 310.235 3.189 10 0 DGAERO CC(C)OC(=O)c1ccc(C[NH2+]C2(CCO)CCCCC2)cc1 ZINC000441261350 527867758 /nfs/dbraw/zinc/86/77/58/527867758.db2.gz GZFPBDQKMYQGMI-UHFFFAOYSA-N 1 0 319.445 3.427 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)Nc1nc([C@H](C)OC)ns1 ZINC000312325681 528117389 /nfs/dbraw/zinc/11/73/89/528117389.db2.gz IDEVJFWGZHKIEA-NEPJUHHUSA-N 1 0 300.472 3.168 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000449497842 536528036 /nfs/dbraw/zinc/52/80/36/536528036.db2.gz ATOMMSNQLYUZDM-FASAQXTFSA-N 1 0 303.446 3.013 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000174236757 528146349 /nfs/dbraw/zinc/14/63/49/528146349.db2.gz VPGUDWJTPJVVGH-SJORKVTESA-N 1 0 302.462 3.418 10 0 DGAERO CC1CCN(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000309894728 528220122 /nfs/dbraw/zinc/22/01/22/528220122.db2.gz GDLQHTNNYMINAL-GOSISDBHSA-N 1 0 315.461 3.045 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000174639489 528286679 /nfs/dbraw/zinc/28/66/79/528286679.db2.gz OQLZTWGDCYFTFV-LBPRGKRZSA-N 1 0 310.467 3.215 10 0 DGAERO CCOc1ccccc1CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000155559647 528719097 /nfs/dbraw/zinc/71/90/97/528719097.db2.gz AQCHLCSYVSIRCG-IRXDYDNUSA-N 1 0 318.461 3.042 10 0 DGAERO CCCc1nc(C)c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000428211780 528723274 /nfs/dbraw/zinc/72/32/74/528723274.db2.gz YDABGFBLFJVUPC-MRXNPFEDSA-N 1 0 305.466 3.099 10 0 DGAERO CCOc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174455583 528743669 /nfs/dbraw/zinc/74/36/69/528743669.db2.gz HDJARLRJMYZGSJ-KGLIPLIRSA-N 1 0 305.422 3.032 10 0 DGAERO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)CC[NH+](C)C ZINC000443182197 528761541 /nfs/dbraw/zinc/76/15/41/528761541.db2.gz IOHZDPKUZBHQRI-CQSZACIVSA-N 1 0 316.449 3.040 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1c[nH]c2ccccc12 ZINC000443856138 528777069 /nfs/dbraw/zinc/77/70/69/528777069.db2.gz RJQNJGNIRVBUIL-UHFFFAOYSA-N 1 0 311.385 3.305 10 0 DGAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089456456 528943829 /nfs/dbraw/zinc/94/38/29/528943829.db2.gz BMEWECIVIIMSBJ-GDBMZVCRSA-N 1 0 308.853 3.452 10 0 DGAERO CCSCC[NH2+]Cc1ccc(Br)cc1OC ZINC000309648243 529180693 /nfs/dbraw/zinc/18/06/93/529180693.db2.gz NBDBGOCXJCPPHT-UHFFFAOYSA-N 1 0 304.253 3.300 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000176510869 529192498 /nfs/dbraw/zinc/19/24/98/529192498.db2.gz IWSFNNJURMSNTN-ZOBUZTSGSA-N 1 0 316.445 3.173 10 0 DGAERO CCS[C@H](C)c1noc(C[N@H+](C(C)C)C2CCOCC2)n1 ZINC000137604905 529223310 /nfs/dbraw/zinc/22/33/10/529223310.db2.gz UXEAFXKQNIUXPQ-GFCCVEGCSA-N 1 0 313.467 3.273 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(C)c1 ZINC000176352436 529304374 /nfs/dbraw/zinc/30/43/74/529304374.db2.gz YOACVAFJLRUOMI-LSDHHAIUSA-N 1 0 305.397 3.225 10 0 DGAERO CC(C)[NH+](CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C)C(C)C ZINC000471481795 535069174 /nfs/dbraw/zinc/06/91/74/535069174.db2.gz VZGOJGMHKIVHOV-STQMWFEESA-N 1 0 323.403 3.088 10 0 DGAERO CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]2COc3ccccc3O2)CS1 ZINC000488412280 535269740 /nfs/dbraw/zinc/26/97/40/535269740.db2.gz LIMNRRIWSMKJEB-KEYYUXOJSA-N 1 0 307.459 3.336 10 0 DGAERO CCc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)oc1CC ZINC000487242907 536104616 /nfs/dbraw/zinc/10/46/16/536104616.db2.gz RGYOCZUAJFBPCT-UHFFFAOYSA-N 1 0 318.461 3.495 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CCCCCC3)CC[C@H]21 ZINC000459020245 536378005 /nfs/dbraw/zinc/37/80/05/536378005.db2.gz KUBFQYAIMQLOIW-IAGOWNOFSA-N 1 0 307.482 3.083 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000471792901 536706553 /nfs/dbraw/zinc/70/65/53/536706553.db2.gz LQLJDFWZFCMZLD-JZXOWHBKSA-N 1 0 300.377 3.467 10 0 DGAERO COc1ccc(C)cc1C1(C[NH2+]C[C@@H]2C[C@H]2C)CCOCC1 ZINC000488402732 536795688 /nfs/dbraw/zinc/79/56/88/536795688.db2.gz CEOGTCOAUPGRTC-CVEARBPZSA-N 1 0 303.446 3.297 10 0 DGAERO CC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccc(OC)c(OC)c1 ZINC000036095742 545670946 /nfs/dbraw/zinc/67/09/46/545670946.db2.gz VOILHSNYVZCKIM-OAHLLOKOSA-N 1 0 319.401 3.070 10 0 DGAERO Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c(C)s1 ZINC000037142566 545672802 /nfs/dbraw/zinc/67/28/02/545672802.db2.gz QJWYJNXEVWCGFM-LLVKDONJSA-N 1 0 309.479 3.058 10 0 DGAERO NC(=O)c1cccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000052034719 545692429 /nfs/dbraw/zinc/69/24/29/545692429.db2.gz SRGSFFONFXZVCN-SFHVURJKSA-N 1 0 312.388 3.132 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079545249 545757843 /nfs/dbraw/zinc/75/78/43/545757843.db2.gz KFQBAMLGKFRJED-AWEZNQCLSA-N 1 0 301.217 3.094 10 0 DGAERO COc1ccc(Br)c(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000087787695 545806521 /nfs/dbraw/zinc/80/65/21/545806521.db2.gz KDMOWJDCENJIRZ-LBPRGKRZSA-N 1 0 314.223 3.116 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000089430763 545813610 /nfs/dbraw/zinc/81/36/10/545813610.db2.gz PKVRZQXZJVCQKX-JQWIXIFHSA-N 1 0 322.206 3.342 10 0 DGAERO CCCOc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000089454929 545815275 /nfs/dbraw/zinc/81/52/75/545815275.db2.gz KWASFUYTTUEYGI-DGCLKSJQSA-N 1 0 310.825 3.442 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000089462424 545815285 /nfs/dbraw/zinc/81/52/85/545815285.db2.gz WHFIAMJAMCTXQR-CMPLNLGQSA-N 1 0 311.223 3.071 10 0 DGAERO Cc1nc(-c2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)cs1 ZINC000089746634 545819818 /nfs/dbraw/zinc/81/98/18/545819818.db2.gz HNVNITWWYQPNGN-GFCCVEGCSA-N 1 0 301.415 3.057 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091539404 545836299 /nfs/dbraw/zinc/83/62/99/545836299.db2.gz UDGFUAXXCYSNHB-BXKDBHETSA-N 1 0 301.217 3.079 10 0 DGAERO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccccc2C)cc1F ZINC000121317991 545894658 /nfs/dbraw/zinc/89/46/58/545894658.db2.gz PVFBCESHXSLZQI-HNNXBMFYSA-N 1 0 314.404 3.410 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](Cc3cncnc3)C2)n1 ZINC000130209649 545947908 /nfs/dbraw/zinc/94/79/08/545947908.db2.gz FUURYQSSRMRQTI-AWEZNQCLSA-N 1 0 302.447 3.436 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)NC(=O)NCC[NH+](C)C)cc1 ZINC000133571882 545969032 /nfs/dbraw/zinc/96/90/32/545969032.db2.gz NFQRZCUBPQHOHT-OAHLLOKOSA-N 1 0 321.465 3.033 10 0 DGAERO CC(C)(C)[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(F)c1 ZINC000162182927 546077118 /nfs/dbraw/zinc/07/71/18/546077118.db2.gz ZLMTZOUEQWTPPG-HNNXBMFYSA-N 1 0 307.413 3.046 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000163919042 546085982 /nfs/dbraw/zinc/08/59/82/546085982.db2.gz DLPSBDMQNGMLAC-NVXWUHKLSA-N 1 0 308.491 3.290 10 0 DGAERO CSc1ccc(OCC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000173528893 546104407 /nfs/dbraw/zinc/10/44/07/546104407.db2.gz OWJARAVQFZIGKT-LSDHHAIUSA-N 1 0 308.491 3.202 10 0 DGAERO O[C@H](C[NH2+][C@H](c1cccs1)C1CCCC1)CN1CCCCC1 ZINC000179405348 546135587 /nfs/dbraw/zinc/13/55/87/546135587.db2.gz HAXSNAPPRPEHEY-AEFFLSMTSA-N 1 0 322.518 3.416 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccccc1OC(F)(F)F ZINC000179916429 546138599 /nfs/dbraw/zinc/13/85/99/546138599.db2.gz NWXLYGZELRDSMY-NSHDSACASA-N 1 0 318.339 3.045 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]CC(=O)NCC2CCC2)cc1 ZINC000181401054 546156363 /nfs/dbraw/zinc/15/63/63/546156363.db2.gz CJGHPWMUMDVQTB-OAHLLOKOSA-N 1 0 318.461 3.288 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1)N1CCOCC1 ZINC000181438471 546156824 /nfs/dbraw/zinc/15/68/24/546156824.db2.gz SUZYHLCXTLQCFZ-STQMWFEESA-N 1 0 322.836 3.458 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]CC(=O)NCC2CCC2)cc1 ZINC000181401071 546156976 /nfs/dbraw/zinc/15/69/76/546156976.db2.gz CJGHPWMUMDVQTB-HNNXBMFYSA-N 1 0 318.461 3.288 10 0 DGAERO Cc1ccc(CCC[N@@H+]2CCCN(c3ccc(C)nn3)CC2)cc1 ZINC000181799471 546160265 /nfs/dbraw/zinc/16/02/65/546160265.db2.gz IIJAGNIOUSKGLQ-UHFFFAOYSA-N 1 0 324.472 3.238 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc2c(c1)OCCO2 ZINC000182117654 546162907 /nfs/dbraw/zinc/16/29/07/546162907.db2.gz QIKCXRFJTNBXBF-LLVKDONJSA-N 1 0 304.777 3.357 10 0 DGAERO Cc1noc([C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)n1 ZINC000183119402 546171482 /nfs/dbraw/zinc/17/14/82/546171482.db2.gz GDQRLXKGBJVOLJ-INIZCTEOSA-N 1 0 308.385 3.306 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc4cnccc43)[C@@H]2C1 ZINC000183423584 546175770 /nfs/dbraw/zinc/17/57/70/546175770.db2.gz ZOAPWVYXUPALAW-QRQLOZEOSA-N 1 0 312.413 3.003 10 0 DGAERO Brc1ccc2[nH]c(C[NH2+][C@@H]3CCCOC3)cc2c1 ZINC000184673389 546184042 /nfs/dbraw/zinc/18/40/42/546184042.db2.gz TYGVBNFPKWHHNJ-GFCCVEGCSA-N 1 0 309.207 3.199 10 0 DGAERO C[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000185613269 546188373 /nfs/dbraw/zinc/18/83/73/546188373.db2.gz XMQQXZYCFMURAP-LLVKDONJSA-N 1 0 315.820 3.133 10 0 DGAERO C[C@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccs1 ZINC000185871978 546190376 /nfs/dbraw/zinc/19/03/76/546190376.db2.gz KXVBNTYMGVBIMH-GWCFXTLKSA-N 1 0 308.834 3.149 10 0 DGAERO Fc1ccc(Br)c(F)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000230307065 546273691 /nfs/dbraw/zinc/27/36/91/546273691.db2.gz YVNGQAPBGSTFMR-VIFPVBQESA-N 1 0 320.177 3.386 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000245575920 546297819 /nfs/dbraw/zinc/29/78/19/546297819.db2.gz FPOHQVKFPLGZJT-SJLPKXTDSA-N 1 0 316.489 3.447 10 0 DGAERO COc1ccc([C@H](C)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000245950717 546301193 /nfs/dbraw/zinc/30/11/93/546301193.db2.gz WXCQFXYWTPRILB-HHXXYDBFSA-N 1 0 303.446 3.426 10 0 DGAERO CC(C)CC[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)C1CC1 ZINC000248254603 546315290 /nfs/dbraw/zinc/31/52/90/546315290.db2.gz KGGRLTJXSURGGB-UHFFFAOYSA-N 1 0 313.445 3.134 10 0 DGAERO C[C@H]1CCCN(Cc2csc(Br)c2)[C@H]1C[NH3+] ZINC000252188799 546331193 /nfs/dbraw/zinc/33/11/93/546331193.db2.gz RHDPVUGDMHCRIQ-ONGXEEELSA-N 1 0 303.269 3.070 10 0 DGAERO c1ccc(Oc2ncccc2-c2noc(C[C@H]3CC[NH2+]C3)n2)cc1 ZINC000261867369 546338957 /nfs/dbraw/zinc/33/89/57/546338957.db2.gz UXGCOFXCTZBLTQ-CYBMUJFWSA-N 1 0 322.368 3.076 10 0 DGAERO CCOC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299985357 546435049 /nfs/dbraw/zinc/43/50/49/546435049.db2.gz JCQFAVVBERIBSI-KKUMJFAQSA-N 1 0 314.470 3.037 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cccc(Cl)c2Cl)C1 ZINC000300414545 546435698 /nfs/dbraw/zinc/43/56/98/546435698.db2.gz MDZNXQPXUHXUAC-VXGBXAGGSA-N 1 0 317.260 3.365 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2cscc2Br)C1 ZINC000304608970 546440482 /nfs/dbraw/zinc/44/04/82/546440482.db2.gz NJQNZKLGIUYWSW-ONGXEEELSA-N 1 0 304.253 3.151 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000306024665 546449051 /nfs/dbraw/zinc/44/90/51/546449051.db2.gz MMTAHGXZNHOOBH-NFAWXSAZSA-N 1 0 310.235 3.330 10 0 DGAERO CC(C)(C)NC(=O)CC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312596854 546452970 /nfs/dbraw/zinc/45/29/70/546452970.db2.gz GPTCOLOMGHKZTQ-UHFFFAOYSA-N 1 0 309.262 3.449 10 0 DGAERO C[S@@](=O)C1(C[NH2+]Cc2cc(Cl)sc2Cl)CCC1 ZINC000312612819 546453319 /nfs/dbraw/zinc/45/33/19/546453319.db2.gz YLQFNMSHAGSNMH-QGZVFWFLSA-N 1 0 312.287 3.446 10 0 DGAERO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)C1 ZINC000329701276 546490196 /nfs/dbraw/zinc/49/01/96/546490196.db2.gz HHUZFBLPAOPSIG-OWCBBSPXSA-N 1 0 319.449 3.476 10 0 DGAERO CN(C(=O)Nc1nc(C2CCC2)cs1)[C@H]1CCC[NH2+]CC1 ZINC000333353328 546505856 /nfs/dbraw/zinc/50/58/56/546505856.db2.gz RSESIRMPPSEEFU-LBPRGKRZSA-N 1 0 308.451 3.016 10 0 DGAERO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000333503474 546507630 /nfs/dbraw/zinc/50/76/30/546507630.db2.gz DOIOCZRLTLQENI-FHLIZLRMSA-N 1 0 315.461 3.092 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000333791382 546512027 /nfs/dbraw/zinc/51/20/27/546512027.db2.gz MLVXPSXNLATRFO-YOENINGUSA-N 1 0 321.852 3.107 10 0 DGAERO c1ccc2c(c1)c1ccccc1n2CC[NH2+]Cc1cncnc1 ZINC000344395485 546570876 /nfs/dbraw/zinc/57/08/76/546570876.db2.gz MSGWNOQCJLYKAO-UHFFFAOYSA-N 1 0 302.381 3.374 10 0 DGAERO CC(C)c1ccoc1-c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000350390580 546617181 /nfs/dbraw/zinc/61/71/81/546617181.db2.gz MSSLDHVPSRNNEZ-CXAGYDPISA-N 1 0 317.389 3.379 10 0 DGAERO CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCOC2(CCSCC2)C1)OC ZINC000381159226 546739593 /nfs/dbraw/zinc/73/95/93/546739593.db2.gz NJBQJRCHNVLCQD-RRFJBIMHSA-N 1 0 301.496 3.082 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1nn(C)c2ccccc12 ZINC000383537418 546741734 /nfs/dbraw/zinc/74/17/34/546741734.db2.gz SQUIHKHHLBBUBP-INIZCTEOSA-N 1 0 322.456 3.183 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000389773901 546751510 /nfs/dbraw/zinc/75/15/10/546751510.db2.gz AYMKNCUUWDJNAV-BPQIPLTHSA-N 1 0 304.503 3.382 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CC1CCC(O)CC1 ZINC000395219176 546761284 /nfs/dbraw/zinc/76/12/84/546761284.db2.gz LTMDTORORWTWSG-UHFFFAOYSA-N 1 0 312.251 3.398 10 0 DGAERO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(O)c2ccccc2c1 ZINC000526857258 546968357 /nfs/dbraw/zinc/96/83/57/546968357.db2.gz BVPZKZDUMBBTJL-MRXNPFEDSA-N 1 0 312.413 3.102 10 0 DGAERO c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000671120301 547770930 /nfs/dbraw/zinc/77/09/30/547770930.db2.gz FEVWFQXZDYWTRJ-BMHONFFRSA-N 1 0 314.473 3.056 10 0 DGAERO CN1CC[C@@H]([NH3+])C[C@H]1c1ccc(Cl)c(Br)c1 ZINC000675054971 548148751 /nfs/dbraw/zinc/14/87/51/548148751.db2.gz PHTQJOXUDWOONV-SKDRFNHKSA-N 1 0 303.631 3.197 10 0 DGAERO CN1CC[C@H]([NH3+])C[C@@H]1c1ccc(Cl)c(Br)c1 ZINC000675054963 548148980 /nfs/dbraw/zinc/14/89/80/548148980.db2.gz PHTQJOXUDWOONV-JOYOIKCWSA-N 1 0 303.631 3.197 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1F ZINC000675055498 548149031 /nfs/dbraw/zinc/14/90/31/548149031.db2.gz UIMLFWCCNBZNGE-HIFRSBDPSA-N 1 0 308.397 3.452 10 0 DGAERO CC[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)[NH2+]CCc2ccsc21 ZINC000716163548 563465541 /nfs/dbraw/zinc/46/55/41/563465541.db2.gz LTABAGHQFSNBGU-KRWDZBQOSA-N 1 0 322.474 3.366 10 0 DGAERO CC(C)(C)OC(=O)C[C@H](C[NH3+])c1cc(Br)cs1 ZINC000725269253 563574746 /nfs/dbraw/zinc/57/47/46/563574746.db2.gz NMGVFCWCQWCLKT-MRVPVSSYSA-N 1 0 320.252 3.285 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H](CC[NH3+])c1c[nH]c2ccccc21 ZINC000725269844 563575670 /nfs/dbraw/zinc/57/56/70/563575670.db2.gz ZYOPISRPVMTAKL-GFCCVEGCSA-N 1 0 303.406 3.125 10 0 DGAERO Fc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1Br ZINC000725270290 563576282 /nfs/dbraw/zinc/57/62/82/563576282.db2.gz ZOIUIRGZWGOYLB-FZMZJTMJSA-N 1 0 314.198 3.103 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2cc(C)c(C)cc2C)C1 ZINC000730936163 574539294 /nfs/dbraw/zinc/53/92/94/574539294.db2.gz KHBNECCYMAHGGP-TUYSUELWSA-N 1 0 300.446 3.083 10 0 DGAERO Cc1ccc(F)c([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675054462 563861824 /nfs/dbraw/zinc/86/18/24/563861824.db2.gz NQZAITDFPRHSFZ-DOMZBBRYSA-N 1 0 308.397 3.452 10 0 DGAERO C/C(=C\C(=O)NC[C@H](C)[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732059373 574566124 /nfs/dbraw/zinc/56/61/24/574566124.db2.gz FDKUEGVMZODYQZ-GOFCXVBSSA-N 1 0 304.409 3.220 10 0 DGAERO CC[S@@](=O)CC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000735084461 574688353 /nfs/dbraw/zinc/68/83/53/574688353.db2.gz JDESZZKZCGFWTK-OAQYLSRUSA-N 1 0 309.406 3.252 10 0 DGAERO C[C@H](CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)[NH+]1CCCCC1 ZINC000741670877 574966024 /nfs/dbraw/zinc/96/60/24/574966024.db2.gz DPEUCQSQCLLGHR-INWMFGNUSA-N 1 0 322.399 3.059 10 0 DGAERO CO[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000299873003 575252553 /nfs/dbraw/zinc/25/25/53/575252553.db2.gz SUWDHDWTYYAQON-AQBKWJQSSA-N 1 0 324.465 3.074 10 0 DGAERO CCc1ccc(CCC(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000169800269 575837744 /nfs/dbraw/zinc/83/77/44/575837744.db2.gz JAMMRLGNRIMOIO-UHFFFAOYSA-N 1 0 314.473 3.126 10 0 DGAERO C[C@H](CNC(=O)c1c[nH]c2cc(Cl)ccc12)[NH+]1CCCCC1 ZINC000726982385 576091410 /nfs/dbraw/zinc/09/14/10/576091410.db2.gz RXONDNZEXIRDHU-GFCCVEGCSA-N 1 0 319.836 3.426 10 0 DGAERO S=C(NCc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000727701122 576141330 /nfs/dbraw/zinc/14/13/30/576141330.db2.gz PVFVTNLTZGTICR-QGZVFWFLSA-N 1 0 317.502 3.011 10 0 DGAERO CCCC[N@H+](CC)CN1C(=O)NC2(CCC(C(C)C)CC2)C1=O ZINC000727817413 576147429 /nfs/dbraw/zinc/14/74/29/576147429.db2.gz UFQKYAYHEXUCEO-UHFFFAOYSA-N 1 0 323.481 3.203 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000154616282 620693841 /nfs/dbraw/zinc/69/38/41/620693841.db2.gz IERBJRHWYLWEMA-LLVKDONJSA-N 1 0 306.793 3.129 10 0 DGAERO CCC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)nc2ccccc12 ZINC000154625951 620694217 /nfs/dbraw/zinc/69/42/17/620694217.db2.gz FJKNVFMUZMTOHN-UHFFFAOYSA-N 1 0 319.836 3.188 10 0 DGAERO CC(C)[NH2+]Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 ZINC000757137313 617646814 /nfs/dbraw/zinc/64/68/14/617646814.db2.gz YTXDJDCOGLEKJK-UHFFFAOYSA-N 1 0 304.434 3.478 10 0 DGAERO S=C1OCCN1CN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000024754698 618659077 /nfs/dbraw/zinc/65/90/77/618659077.db2.gz DQZGXROADHLHRG-GOSISDBHSA-N 1 0 324.449 3.209 10 0 DGAERO c1nn(CN2CCC(C[NH+]3CCCC3)CC2)cc1-c1ccccc1 ZINC000151808662 620474932 /nfs/dbraw/zinc/47/49/32/620474932.db2.gz MUVNZHPUELJBFC-UHFFFAOYSA-N 1 0 324.472 3.315 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)ccc1F ZINC000153257723 620544810 /nfs/dbraw/zinc/54/48/10/620544810.db2.gz MPDFSDGNMXQIFC-ZBEGNZNMSA-N 1 0 307.340 3.358 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000117862595 621461393 /nfs/dbraw/zinc/46/13/93/621461393.db2.gz HCNJJFOKHOUEID-UHFFFAOYSA-N 1 0 310.376 3.216 10 0 DGAERO COCc1ccc(C(=O)OCCC[N@H+](C)Cc2ccccc2)o1 ZINC000129525341 625673252 /nfs/dbraw/zinc/67/32/52/625673252.db2.gz RBSXAVGVCOMOGJ-UHFFFAOYSA-N 1 0 317.385 3.105 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(Cc2cccc(Cl)c2F)no1 ZINC000212452026 625774670 /nfs/dbraw/zinc/77/46/70/625774670.db2.gz UBIAUUPFBLUVMH-WDEREUQCSA-N 1 0 309.772 3.295 10 0 DGAERO CSCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130779022 625901931 /nfs/dbraw/zinc/90/19/31/625901931.db2.gz CDZCDKNUNPOZAQ-UONOGXRCSA-N 1 0 316.511 3.365 10 0 DGAERO C/C(=C\c1ccccc1Cl)C(=O)N1CCC([NH+](C)C)CC1 ZINC000132733063 626737243 /nfs/dbraw/zinc/73/72/43/626737243.db2.gz DOSFLRPCRSUHSO-OUKQBFOZSA-N 1 0 306.837 3.296 10 0 DGAERO CC(C)(C)OC(=O)CCc1nc(C2([NH3+])CCC(C)(C)CC2)no1 ZINC000757183270 626753355 /nfs/dbraw/zinc/75/33/55/626753355.db2.gz NFTNLHPDCHWAHO-UHFFFAOYSA-N 1 0 323.437 3.098 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000757184781 626754082 /nfs/dbraw/zinc/75/40/82/626754082.db2.gz NPDJSLSBZRNTAZ-QWHCGFSZSA-N 1 0 315.335 3.350 10 0 DGAERO CCn1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000886031095 627088548 /nfs/dbraw/zinc/08/85/48/627088548.db2.gz MKKVOEZCEGIEIW-YJBOKZPZSA-N 1 0 311.385 3.269 10 0 DGAERO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1 ZINC000886088210 627101482 /nfs/dbraw/zinc/10/14/82/627101482.db2.gz DEBRRYLCUFFBRP-MJBXVCDLSA-N 1 0 305.422 3.193 10 0 DGAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000221051437 627213245 /nfs/dbraw/zinc/21/32/45/627213245.db2.gz AEJKYIRSAPEOTH-UHFFFAOYSA-N 1 0 314.376 3.358 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)OC(C)(C)C ZINC000222089387 627234242 /nfs/dbraw/zinc/23/42/42/627234242.db2.gz UDWYUBYNVBKOKA-LLVKDONJSA-N 1 0 314.376 3.358 10 0 DGAERO CCOc1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1 ZINC000105433937 630710256 /nfs/dbraw/zinc/71/02/56/630710256.db2.gz IVFOABBZAPBHNB-UHFFFAOYSA-N 1 0 308.422 3.090 10 0 DGAERO CC(C)(C)SCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000110438766 632561402 /nfs/dbraw/zinc/56/14/02/632561402.db2.gz QZALUKJOBDROAP-UHFFFAOYSA-N 1 0 300.512 3.291 10 0 DGAERO CC[C@H]([NH2+]CCCN1CCOC1=O)c1cccc(Cl)c1F ZINC000185980004 660257659 /nfs/dbraw/zinc/25/76/59/660257659.db2.gz JCJJNHPCHRRQAY-ZDUSSCGKSA-N 1 0 314.788 3.362 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccc(Cl)s1 ZINC000252388593 660458764 /nfs/dbraw/zinc/45/87/64/660458764.db2.gz FVXBUKUNHIPXSO-USZNOCQGSA-N 1 0 312.866 3.499 10 0 DGAERO C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(F)F ZINC000700236687 660616466 /nfs/dbraw/zinc/61/64/66/660616466.db2.gz NWMWXZNUKRJJLQ-NEPJUHHUSA-N 1 0 306.397 3.267 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)C2CCCCC2)[C@@H]1C ZINC000700003367 660608903 /nfs/dbraw/zinc/60/89/03/660608903.db2.gz AZPBFNHTJKKLGK-FMKPAKJESA-N 1 0 301.496 3.148 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CSC2)CC(C)(C)C1 ZINC000700025051 660609802 /nfs/dbraw/zinc/60/98/02/660609802.db2.gz SSHIQZKHCCFIRF-LBPRGKRZSA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000700109371 660612246 /nfs/dbraw/zinc/61/22/46/660612246.db2.gz XZUAWPXOSRPQNW-JONQDZQNSA-N 1 0 308.466 3.269 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccc(F)cn1 ZINC000700746640 660634434 /nfs/dbraw/zinc/63/44/34/660634434.db2.gz PNKLWXTVXFUTTB-TYNCELHUSA-N 1 0 323.412 3.269 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3cccnc32)CCN1C(=O)OC(C)(C)C ZINC000700732045 660634438 /nfs/dbraw/zinc/63/44/38/660634438.db2.gz LYQRNIVIIPLHPR-VHDGCEQUSA-N 1 0 317.433 3.056 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CC2(F)F)CN1C(=O)OC(C)(C)C ZINC000701722422 660681299 /nfs/dbraw/zinc/68/12/99/660681299.db2.gz CCKZOGCBMRIYNA-JMSVASOKSA-N 1 0 318.408 3.409 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000701935641 660692956 /nfs/dbraw/zinc/69/29/56/660692956.db2.gz PFQRTZXDYCGQCX-STQMWFEESA-N 1 0 318.408 3.411 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000701935027 660693033 /nfs/dbraw/zinc/69/30/33/660693033.db2.gz LTNSCQCBWKXMDA-AVGNSLFASA-N 1 0 318.408 3.315 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000701935640 660693108 /nfs/dbraw/zinc/69/31/08/660693108.db2.gz PFQRTZXDYCGQCX-QWHCGFSZSA-N 1 0 318.408 3.411 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000701945189 660693208 /nfs/dbraw/zinc/69/32/08/660693208.db2.gz PIANEJCUIKMCJA-YIYPIFLZSA-N 1 0 314.495 3.258 10 0 DGAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccoc1 ZINC000701924351 660695624 /nfs/dbraw/zinc/69/56/24/660695624.db2.gz MPGWUDAMVOAKAD-SFYCDEOASA-N 1 0 306.406 3.330 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000701992286 660696421 /nfs/dbraw/zinc/69/64/21/660696421.db2.gz HOKJVKOKZSITOH-MGPQQGTHSA-N 1 0 314.495 3.260 10 0 DGAERO C[C@H](F)CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000702620460 660731846 /nfs/dbraw/zinc/73/18/46/660731846.db2.gz TYMIGWCSYFPMKA-MJBXVCDLSA-N 1 0 302.434 3.408 10 0 DGAERO Cc1cc(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)ccn1 ZINC000703463264 660779554 /nfs/dbraw/zinc/77/95/54/660779554.db2.gz NKOAUQMFUQRSCY-UHFFFAOYSA-N 1 0 319.449 3.175 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000704591845 660813001 /nfs/dbraw/zinc/81/30/01/660813001.db2.gz QJFBDZSAWLYMAY-MUJYYYPQSA-N 1 0 308.466 3.269 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]Cc2ccnc(C)c2)CCN1C(=O)OC(C)(C)C ZINC000704665476 660815271 /nfs/dbraw/zinc/81/52/71/660815271.db2.gz NEZYFGIWSCJWKZ-JKSUJKDBSA-N 1 0 319.449 3.268 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]C[C@H]2CCC=CO2)CCN1C(=O)OC(C)(C)C ZINC000704632474 660814048 /nfs/dbraw/zinc/81/40/48/660814048.db2.gz XMAGPXVFMHZHEW-QLFBSQMISA-N 1 0 310.438 3.057 10 0 DGAERO Clc1cc(C[NH2+]CC[C@H]2CCSC2)cc2c1OCCO2 ZINC000704789665 660818818 /nfs/dbraw/zinc/81/88/18/660818818.db2.gz GWNUANDHPNCIGV-NSHDSACASA-N 1 0 313.850 3.344 10 0 DGAERO C[C@@H]1C[C@H]1C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000705191208 660836620 /nfs/dbraw/zinc/83/66/20/660836620.db2.gz IDIHDKFROYYXGA-VNQPRFMTSA-N 1 0 304.434 3.498 10 0 DGAERO C[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCCO1 ZINC000705994923 660841259 /nfs/dbraw/zinc/84/12/59/660841259.db2.gz AHGDIOVSUKLJIS-GOEBONIOSA-N 1 0 324.465 3.101 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000706476488 660859993 /nfs/dbraw/zinc/85/99/93/660859993.db2.gz KWOIQCJTEHOLCH-RFQIPJPRSA-N 1 0 314.495 3.258 10 0 DGAERO C[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)C1(C)CC1 ZINC000706916388 660877593 /nfs/dbraw/zinc/87/75/93/660877593.db2.gz QACQXZGUWFAVTP-VIFPVBQESA-N 1 0 312.207 3.456 10 0 DGAERO Cc1conc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000708293120 660919836 /nfs/dbraw/zinc/91/98/36/660919836.db2.gz IVKGPZHNYIJVFR-CQSZACIVSA-N 1 0 323.437 3.108 10 0 DGAERO Fc1cccc2c1SCC[C@@H]2[NH2+]CCO[C@@H]1CC1(F)F ZINC000709236485 660927692 /nfs/dbraw/zinc/92/76/92/660927692.db2.gz OSUIJSOXJHRUQD-NWDGAFQWSA-N 1 0 303.349 3.376 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+]Cc2cc(Br)nn2C)c1 ZINC000709257942 660928094 /nfs/dbraw/zinc/92/80/94/660928094.db2.gz DYVUSXUSWJCZFD-LLVKDONJSA-N 1 0 308.223 3.342 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000709405424 660928103 /nfs/dbraw/zinc/92/81/03/660928103.db2.gz LBRHPJZUNIPCON-JQOWZUPLSA-N 1 0 308.466 3.409 10 0 DGAERO CC1(C)C[NH2+]C[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000711171439 660940732 /nfs/dbraw/zinc/94/07/32/660940732.db2.gz YBHOGXQXTDSJJX-SNVBAGLBSA-N 1 0 322.206 3.212 10 0 DGAERO C[C@@H]([NH2+]CCc1ccns1)c1ccc(Br)cn1 ZINC000709995807 660931567 /nfs/dbraw/zinc/93/15/67/660931567.db2.gz HFJIYIVMXXXBSG-SECBINFHSA-N 1 0 312.236 3.194 10 0 DGAERO Fc1cc(Br)ccc1C[NH2+]CCc1ccns1 ZINC000709984166 660931687 /nfs/dbraw/zinc/93/16/87/660931687.db2.gz MNIXQFVFTZIKOJ-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000710885987 660936637 /nfs/dbraw/zinc/93/66/37/660936637.db2.gz WGAUETIPKJYVAB-GFCCVEGCSA-N 1 0 304.381 3.021 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CS1 ZINC000711477088 660954055 /nfs/dbraw/zinc/95/40/55/660954055.db2.gz CWHFXFHGVAEJLY-MQYQWHSLSA-N 1 0 314.495 3.163 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCCCS2)C1 ZINC000711389208 660949216 /nfs/dbraw/zinc/94/92/16/660949216.db2.gz FRKUFGFISQHWRY-MJBXVCDLSA-N 1 0 314.495 3.165 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000711442371 660953013 /nfs/dbraw/zinc/95/30/13/660953013.db2.gz MFJMIRNEZOEIRW-SEEARECTSA-N 1 0 314.495 3.165 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC[C@@H]2CCSC2)C1 ZINC000711443758 660953454 /nfs/dbraw/zinc/95/34/54/660953454.db2.gz YAUCQFWBRQJHRC-IYXRBSQSSA-N 1 0 314.495 3.023 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(Br)cn2)OC1 ZINC000711234212 660942307 /nfs/dbraw/zinc/94/23/07/660942307.db2.gz AUCDOHOCWJCHSL-ZDUSSCGKSA-N 1 0 313.239 3.139 10 0 DGAERO CC(C)SCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711459949 660953992 /nfs/dbraw/zinc/95/39/92/660953992.db2.gz QHNLNZYDSGJKGL-BETUJISGSA-N 1 0 302.484 3.021 10 0 DGAERO Brc1cccc(CC[NH2+]Cc2nccn2C2CC2)c1 ZINC000711804416 660963227 /nfs/dbraw/zinc/96/32/27/660963227.db2.gz OCIUFKXUEBPZFG-UHFFFAOYSA-N 1 0 320.234 3.313 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000711487343 660955214 /nfs/dbraw/zinc/95/52/14/660955214.db2.gz NOAZWESJWVNYRS-MCIONIFRSA-N 1 0 314.495 3.165 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)nc1 ZINC000711504347 660955589 /nfs/dbraw/zinc/95/55/89/660955589.db2.gz SHLSWDKEJSJYSC-ZDUSSCGKSA-N 1 0 311.223 3.035 10 0 DGAERO C[C@H](C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)CC(F)F ZINC000711506754 660955893 /nfs/dbraw/zinc/95/58/93/660955893.db2.gz NVJDFEOXRAWVLH-SDDRHHMPSA-N 1 0 306.397 3.171 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000711601465 660959375 /nfs/dbraw/zinc/95/93/75/660959375.db2.gz HIVVCDGSDAFOCY-UKRRQHHQSA-N 1 0 310.850 3.076 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cscc1Br ZINC000286312039 655537407 /nfs/dbraw/zinc/53/74/07/655537407.db2.gz CYMITYUUSMXVHI-JOYOIKCWSA-N 1 0 304.253 3.151 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C\c1ccnc2ccccc12 ZINC000255026142 655564008 /nfs/dbraw/zinc/56/40/08/655564008.db2.gz FGYAOHLJAKSSEQ-QXPKXGMISA-N 1 0 323.440 3.239 10 0 DGAERO OC1(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)CCCCC1 ZINC000304297326 655633656 /nfs/dbraw/zinc/63/36/56/655633656.db2.gz GDYXVKJEQWVDRC-GOSISDBHSA-N 1 0 303.446 3.220 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000050373500 655656354 /nfs/dbraw/zinc/65/63/54/655656354.db2.gz CEEOEDHPPONNLV-QWHCGFSZSA-N 1 0 302.187 3.245 10 0 DGAERO CCc1ncsc1C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160787374 655677770 /nfs/dbraw/zinc/67/77/70/655677770.db2.gz FMOJOLMHEHPRHU-CQSZACIVSA-N 1 0 316.426 3.137 10 0 DGAERO C/C(=C/C(=O)N1CCC([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000255311412 655697527 /nfs/dbraw/zinc/69/75/27/655697527.db2.gz WEBQSKNZTRQXIL-QBFSEMIESA-N 1 0 306.837 3.296 10 0 DGAERO C/C=C(/C)C[NH+]1CCC(CO)(Cc2ccc(OC)cc2)CC1 ZINC000096837454 655700259 /nfs/dbraw/zinc/70/02/59/655700259.db2.gz UIBQWAVRTZDOFD-XRVIQIRUSA-N 1 0 303.446 3.278 10 0 DGAERO FCCCC[NH2+]Cc1ccccc1I ZINC000308523151 655721506 /nfs/dbraw/zinc/72/15/06/655721506.db2.gz VIFKWSUNVHDATH-UHFFFAOYSA-N 1 0 307.150 3.131 10 0 DGAERO CN(c1ccccc1)C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000178238433 655723330 /nfs/dbraw/zinc/72/33/30/655723330.db2.gz UZOAALXLNCVRTG-UHFFFAOYSA-N 1 0 302.462 3.282 10 0 DGAERO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)CS(C)(=O)=O ZINC000723880007 655727985 /nfs/dbraw/zinc/72/79/85/655727985.db2.gz WTUBTSMLYAQRKW-RRFJBIMHSA-N 1 0 301.496 3.006 10 0 DGAERO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)CS(C)(=O)=O ZINC000723883394 655728415 /nfs/dbraw/zinc/72/84/15/655728415.db2.gz PMFYCZFAOGAZCZ-KBPBESRZSA-N 1 0 303.512 3.252 10 0 DGAERO CC[C@H]([NH2+]Cc1cncc(Br)c1)[C@@H]1CCCOC1 ZINC000724007170 655735549 /nfs/dbraw/zinc/73/55/49/655735549.db2.gz IQORWECLCYCJNX-OCCSQVGLSA-N 1 0 313.239 3.139 10 0 DGAERO CC[C@H]([NH2+]Cc1cccc(Br)n1)[C@@H]1CCCOC1 ZINC000724012908 655736319 /nfs/dbraw/zinc/73/63/19/655736319.db2.gz UOZGZGWEJJEVRN-YPMHNXCESA-N 1 0 313.239 3.139 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000724100345 655741872 /nfs/dbraw/zinc/74/18/72/655741872.db2.gz ITVADXSOZICTRQ-DGXTUMSLSA-N 1 0 308.466 3.458 10 0 DGAERO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724106439 655742015 /nfs/dbraw/zinc/74/20/15/655742015.db2.gz UZAZILTVFYMQIK-HUAZRZQGSA-N 1 0 301.299 3.198 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccc(Cl)cc1Cl ZINC000724642945 655802943 /nfs/dbraw/zinc/80/29/43/655802943.db2.gz KYKDYMIAVZSQOD-OUCVZQCGSA-N 1 0 316.228 3.448 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cn(C)nc1Br ZINC000712468787 661188461 /nfs/dbraw/zinc/18/84/61/661188461.db2.gz CRXQENCZKKWHDY-GHMZBOCLSA-N 1 0 300.244 3.099 10 0 DGAERO Brc1cnc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)s1 ZINC000712639432 661189328 /nfs/dbraw/zinc/18/93/28/661189328.db2.gz HMVSPLBJDBXVCI-ZJUUUORDSA-N 1 0 301.253 3.431 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161735305 655813866 /nfs/dbraw/zinc/81/38/66/655813866.db2.gz OUUCVEGPCNSIRN-ZDUSSCGKSA-N 1 0 321.465 3.283 10 0 DGAERO CC[C@@H]1COC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713045250 661189657 /nfs/dbraw/zinc/18/96/57/661189657.db2.gz LZKRIGPALCVRGV-KOLCDFICSA-N 1 0 304.253 3.068 10 0 DGAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCCCOCc1ccccc1 ZINC000712997410 661189778 /nfs/dbraw/zinc/18/97/78/661189778.db2.gz OWJDISOIWYBJTD-KRWDZBQOSA-N 1 0 320.477 3.109 10 0 DGAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccccc2OCc2ccccc2)C1 ZINC000713046847 661189804 /nfs/dbraw/zinc/18/98/04/661189804.db2.gz ACPCMBSWELLMEU-RZQQEMMASA-N 1 0 322.408 3.332 10 0 DGAERO Cc1ccccc1OCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188095139 655820070 /nfs/dbraw/zinc/82/00/70/655820070.db2.gz HAODVCAAACZWSD-IRXDYDNUSA-N 1 0 317.454 3.143 10 0 DGAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721558686 655825149 /nfs/dbraw/zinc/82/51/49/655825149.db2.gz BDKAFQXHINRJOM-RDBSUJKOSA-N 1 0 314.470 3.083 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ncc(Br)s2)C1(C)C ZINC000713622659 661192490 /nfs/dbraw/zinc/19/24/90/661192490.db2.gz GUMDMFDJXMXNJP-IUCAKERBSA-N 1 0 319.268 3.199 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ncc(Br)s2)C1(C)C ZINC000713622655 661192555 /nfs/dbraw/zinc/19/25/55/661192555.db2.gz GUMDMFDJXMXNJP-BDAKNGLRSA-N 1 0 319.268 3.199 10 0 DGAERO CC(C)C[C@H]1CC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000713823955 661194428 /nfs/dbraw/zinc/19/44/28/661194428.db2.gz BQJCPHFKKYFHJD-LLVKDONJSA-N 1 0 300.244 3.051 10 0 DGAERO COCC1CC([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000713977595 661195649 /nfs/dbraw/zinc/19/56/49/661195649.db2.gz KUQZITMHGBYYFT-UHFFFAOYSA-N 1 0 302.187 3.103 10 0 DGAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000714253113 661198067 /nfs/dbraw/zinc/19/80/67/661198067.db2.gz UEFDTBRDXNMJSX-UMVBOHGHSA-N 1 0 313.488 3.145 10 0 DGAERO CC1(C)CCC[C@H](C[NH2+]Cc2cncc(Br)c2)O1 ZINC000714345273 661198877 /nfs/dbraw/zinc/19/88/77/661198877.db2.gz QVVYFVRLBRLCGU-CYBMUJFWSA-N 1 0 313.239 3.281 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Cl)c(F)c1 ZINC000714365396 661199153 /nfs/dbraw/zinc/19/91/53/661199153.db2.gz LNSZGINXOZZUPE-ZYHUDNBSSA-N 1 0 319.829 3.097 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C(\C)c1ccc(F)cc1 ZINC000177021791 655886670 /nfs/dbraw/zinc/88/66/70/655886670.db2.gz RGBKGSMWVSIKBF-VSOYFRJCSA-N 1 0 304.409 3.172 10 0 DGAERO C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179342469 655889408 /nfs/dbraw/zinc/88/94/08/655889408.db2.gz AEYNYESHTJXFTF-ISBHARSQSA-N 1 0 304.821 3.050 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000714459544 661200742 /nfs/dbraw/zinc/20/07/42/661200742.db2.gz NTEZKKUALRZGBY-KYOSRNDESA-N 1 0 312.251 3.395 10 0 DGAERO CCC1([NH3+])CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000714751502 661202811 /nfs/dbraw/zinc/20/28/11/661202811.db2.gz DGXQNLXCXAICTA-UHFFFAOYSA-N 1 0 307.747 3.462 10 0 DGAERO C[N@H+](CCCOC(=O)Cc1cccs1)Cc1ccccc1 ZINC000177196854 655916938 /nfs/dbraw/zinc/91/69/38/655916938.db2.gz AFPNEXHGROHULX-UHFFFAOYSA-N 1 0 303.427 3.356 10 0 DGAERO Brc1cnn(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000065944286 655920525 /nfs/dbraw/zinc/92/05/25/655920525.db2.gz ZINOLEYARLDMIR-KCXRBIIJSA-N 1 0 310.239 3.114 10 0 DGAERO [NH3+][C@H]1C[C@H](NCc2ncc(Br)s2)c2ccccc21 ZINC000714924116 661204795 /nfs/dbraw/zinc/20/47/95/661204795.db2.gz HEHAVRZHSIBTRQ-QWRGUYRKSA-N 1 0 324.247 3.140 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\Sc2ccccc2)C1 ZINC000255888027 655950189 /nfs/dbraw/zinc/95/01/89/655950189.db2.gz RVZBCSRFVDSRSC-NRXPATIISA-N 1 0 304.459 3.137 10 0 DGAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000715099420 661208416 /nfs/dbraw/zinc/20/84/16/661208416.db2.gz WYVPLPCPPHLODY-COPLHBTASA-N 1 0 313.228 3.252 10 0 DGAERO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1cncnc1)c1cccs1 ZINC000180508484 655966563 /nfs/dbraw/zinc/96/65/63/655966563.db2.gz LTVACBJPLXWCBT-HOTGVXAUSA-N 1 0 317.458 3.406 10 0 DGAERO Cc1ncc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC000180523375 655966604 /nfs/dbraw/zinc/96/66/04/655966604.db2.gz CJHNLVMRKWFGRA-MNOVXSKESA-N 1 0 313.467 3.405 10 0 DGAERO O[C@@H](C[C@@H]1COCC[N@@H+]1CC1CCCCCC1)c1ccco1 ZINC000180721637 655968291 /nfs/dbraw/zinc/96/82/91/655968291.db2.gz OCTQMPRSRVUAJU-SJORKVTESA-N 1 0 307.434 3.374 10 0 DGAERO CN(CCC[NH2+]C[C@]1(C)CCCS1)C(=O)OC(C)(C)C ZINC000327673265 655971599 /nfs/dbraw/zinc/97/15/99/655971599.db2.gz AERIXPGXVDRTNO-HNNXBMFYSA-N 1 0 302.484 3.119 10 0 DGAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cncs1 ZINC000715151669 661209249 /nfs/dbraw/zinc/20/92/49/661209249.db2.gz FTEFYTPAZHUCCJ-VOMCLLRMSA-N 1 0 311.451 3.097 10 0 DGAERO C[C@@H](C[NH2+]C[C@@]1(C)CCCS1)N(C)C(=O)OC(C)(C)C ZINC000327719691 655980985 /nfs/dbraw/zinc/98/09/85/655980985.db2.gz DPRMZBNDYBXFLZ-SWLSCSKDSA-N 1 0 302.484 3.117 10 0 DGAERO C[C@H](C[NH2+]C[C@@]1(C)CCCS1)N(C)C(=O)OC(C)(C)C ZINC000327719689 655981034 /nfs/dbraw/zinc/98/10/34/655981034.db2.gz DPRMZBNDYBXFLZ-IUODEOHRSA-N 1 0 302.484 3.117 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC34CC4)C[C@@H]2C1 ZINC000715297548 661210455 /nfs/dbraw/zinc/21/04/55/661210455.db2.gz YXHHNUQASQLETE-LJISPDSOSA-N 1 0 306.450 3.164 10 0 DGAERO C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(C[NH3+])cc1 ZINC000037012698 661212661 /nfs/dbraw/zinc/21/26/61/661212661.db2.gz WYQBSHJRCGVQQO-LBPRGKRZSA-N 1 0 302.805 3.160 10 0 DGAERO Cc1nc(C)c(C[NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)o1 ZINC000311671163 656009033 /nfs/dbraw/zinc/00/90/33/656009033.db2.gz AAEWRICZPMHVFJ-AWEZNQCLSA-N 1 0 323.437 3.171 10 0 DGAERO C[NH+](C)C1(C)CCC(Nc2nnc(C(F)(F)F)s2)CC1 ZINC000715539939 661212788 /nfs/dbraw/zinc/21/27/88/661212788.db2.gz OUSYTNKQHCMAGV-UHFFFAOYSA-N 1 0 308.373 3.232 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]CC[C@@H]1CCCS1 ZINC000715636093 661213199 /nfs/dbraw/zinc/21/31/99/661213199.db2.gz LYLXNUKNLGRZHG-KRWDZBQOSA-N 1 0 301.459 3.307 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)o1 ZINC000311883822 656018562 /nfs/dbraw/zinc/01/85/62/656018562.db2.gz WZOUVRWUHRRUFR-NSHDSACASA-N 1 0 311.426 3.074 10 0 DGAERO FC(F)(F)[C@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CCO1 ZINC000716079317 661217182 /nfs/dbraw/zinc/21/71/82/661217182.db2.gz GOXVAUVXGYIOPC-CCCUQBDLSA-N 1 0 309.397 3.360 10 0 DGAERO C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000716094381 661217416 /nfs/dbraw/zinc/21/74/16/661217416.db2.gz PJFIKDORXVSGSQ-MFAVDMRSSA-N 1 0 322.257 3.220 10 0 DGAERO O[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)c1cccc(F)c1 ZINC000716286815 661221165 /nfs/dbraw/zinc/22/11/65/661221165.db2.gz WLTDFPGRBLFPCR-ACBHZAAOSA-N 1 0 315.388 3.197 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCc1ccccc1 ZINC000309864590 656089991 /nfs/dbraw/zinc/08/99/91/656089991.db2.gz KZRPHGSQDLNFQQ-NVXWUHKLSA-N 1 0 318.461 3.464 10 0 DGAERO CSC1(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)CCC1 ZINC000309867987 656091757 /nfs/dbraw/zinc/09/17/57/656091757.db2.gz OEZXANFYECDDTH-LBPRGKRZSA-N 1 0 302.484 3.117 10 0 DGAERO Cc1n[nH]c(C[NH2+]Cc2ccc(Br)c(C)c2)c1C ZINC000716483424 661224633 /nfs/dbraw/zinc/22/46/33/661224633.db2.gz NNLLPGCFOGQYFY-UHFFFAOYSA-N 1 0 308.223 3.387 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]1[C@H]1C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716658863 661225941 /nfs/dbraw/zinc/22/59/41/661225941.db2.gz KNXJBKZOMCDGAP-VRUQUDLLSA-N 1 0 308.466 3.124 10 0 DGAERO Cc1cc(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)no1 ZINC000716652888 661226285 /nfs/dbraw/zinc/22/62/85/661226285.db2.gz UWQNBEHNRYXBDI-SCTDSRPQSA-N 1 0 311.429 3.126 10 0 DGAERO C[C@H](C[NH2+]Cc1c(F)cccc1F)N(C)C(=O)OC(C)(C)C ZINC000310000968 656129585 /nfs/dbraw/zinc/12/95/85/656129585.db2.gz QGSUSDKIWXXFRK-LLVKDONJSA-N 1 0 314.376 3.310 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000716884995 661230049 /nfs/dbraw/zinc/23/00/49/661230049.db2.gz JWFZAQCYGGCSEL-GXSJLCMTSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(Br)cc1F ZINC000716886312 661230161 /nfs/dbraw/zinc/23/01/61/661230161.db2.gz PPOLGQICFOEVPB-BXKDBHETSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(F)ccc1Br ZINC000716884542 661230165 /nfs/dbraw/zinc/23/01/65/661230165.db2.gz IUOHDTJNHMTENE-SKDRFNHKSA-N 1 0 304.203 3.227 10 0 DGAERO C[C@@H](C1CC1)[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000074766783 656204035 /nfs/dbraw/zinc/20/40/35/656204035.db2.gz STFLCSRZHXRLIC-NSHDSACASA-N 1 0 310.800 3.035 10 0 DGAERO CSc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000717153004 661255806 /nfs/dbraw/zinc/25/58/06/661255806.db2.gz SDVJLLAXLUDNEZ-CHWSQXEVSA-N 1 0 304.381 3.120 10 0 DGAERO [NH3+][C@H]1CN(Cc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000717155221 661256087 /nfs/dbraw/zinc/25/60/87/661256087.db2.gz SACLIQXTFIVDSA-CABZTGNLSA-N 1 0 310.722 3.191 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000723620718 656496567 /nfs/dbraw/zinc/49/65/67/656496567.db2.gz HREWBVWBRNYKEM-GSEOLPGOSA-N 1 0 316.489 3.302 10 0 DGAERO c1cc(C2OCCO2)ccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723650180 656498262 /nfs/dbraw/zinc/49/82/62/656498262.db2.gz KUFLCTGHOANTGI-FGTMMUONSA-N 1 0 317.429 3.027 10 0 DGAERO CC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000723950819 656504510 /nfs/dbraw/zinc/50/45/10/656504510.db2.gz KGMAGNUQWCYFDW-AZUAARDMSA-N 1 0 316.489 3.446 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@@H]2CSC2(C)C)C1 ZINC000724036713 656506247 /nfs/dbraw/zinc/50/62/47/656506247.db2.gz AQZNRRQPPFUJKU-JHJVBQTASA-N 1 0 314.495 3.163 10 0 DGAERO CC(C)(C)c1coc(CN[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000724364096 656515464 /nfs/dbraw/zinc/51/54/64/656515464.db2.gz LMJCJKPGOCWKPQ-INIZCTEOSA-N 1 0 313.445 3.336 10 0 DGAERO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc3c(c2)CCO3)n1 ZINC000178514794 656562235 /nfs/dbraw/zinc/56/22/35/656562235.db2.gz PDVZFMACOPZKHD-ZDUSSCGKSA-N 1 0 315.417 3.411 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(C)o1 ZINC000106547941 656618741 /nfs/dbraw/zinc/61/87/41/656618741.db2.gz VSMJWAZFHHDJAR-HIFRSBDPSA-N 1 0 319.449 3.274 10 0 DGAERO [NH3+][C@@H]1CC[C@H]2CN(CCOc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000261641912 656940891 /nfs/dbraw/zinc/94/08/91/656940891.db2.gz CJEIXRSSZBKNES-MISXGVKJSA-N 1 0 315.244 3.041 10 0 DGAERO c1c2ccccc2sc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261674188 656960220 /nfs/dbraw/zinc/96/02/20/656960220.db2.gz JIWWJJCUPUFTFU-QGZVFWFLSA-N 1 0 309.438 3.443 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC[C@H]([C@H](C)[NH3+])C3)c2c1C ZINC000261680949 656964970 /nfs/dbraw/zinc/96/49/70/656964970.db2.gz MKKAYJSNFWWTIL-GWCFXTLKSA-N 1 0 304.463 3.180 10 0 DGAERO COc1ccccc1/C=C/CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261700477 656980397 /nfs/dbraw/zinc/98/03/97/656980397.db2.gz LOIBRLNEEFWOOX-MLLMCGKQSA-N 1 0 308.425 3.135 10 0 DGAERO Clc1cccc(Cl)c1OCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261714865 657037365 /nfs/dbraw/zinc/03/73/65/657037365.db2.gz JQSHMKFUOPKORB-OAHLLOKOSA-N 1 0 315.244 3.058 10 0 DGAERO Cc1cc(CN2CC[NH2+]C[C@H]2c2cccnc2)c2ccccc2n1 ZINC000261821996 657116296 /nfs/dbraw/zinc/11/62/96/657116296.db2.gz SJDYXEKTIDRKGK-FQEVSTJZSA-N 1 0 318.424 3.085 10 0 DGAERO COc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1F ZINC000261849719 657136995 /nfs/dbraw/zinc/13/69/95/657136995.db2.gz JIIFEKUZQSGBOG-LRDDRELGSA-N 1 0 322.424 3.309 10 0 DGAERO O[C@H](CN1CCC[C@@H](C(F)(F)F)C1)c1c(F)cccc1F ZINC000249704930 657421536 /nfs/dbraw/zinc/42/15/36/657421536.db2.gz AAYBMUBGMBEVFN-BXKDBHETSA-N 1 0 309.278 3.273 10 0 DGAERO O[C@@H](CN1CCC[C@@H](C(F)(F)F)C1)c1c(F)cccc1F ZINC000249704934 657421653 /nfs/dbraw/zinc/42/16/53/657421653.db2.gz AAYBMUBGMBEVFN-SKDRFNHKSA-N 1 0 309.278 3.273 10 0 DGAERO CCc1nc2sc(C)c(C)c2c(N2CC[NH+](CC)CC2)n1 ZINC000096204813 657512837 /nfs/dbraw/zinc/51/28/37/657512837.db2.gz QNSMIEGEACYJHV-UHFFFAOYSA-N 1 0 304.463 3.012 10 0 DGAERO COCC[N@H+](C/C=C\c1ccccc1)Cc1ccc2nonc2c1 ZINC000096840068 657558636 /nfs/dbraw/zinc/55/86/36/657558636.db2.gz DVOXKKHJBPWCNN-YVMONPNESA-N 1 0 323.396 3.385 10 0 DGAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)C[C@@H](C)c2ccccc2)C1 ZINC000096995663 657580442 /nfs/dbraw/zinc/58/04/42/657580442.db2.gz TVBAQTFGRFOKNF-AEFFLSMTSA-N 1 0 319.445 3.080 10 0 DGAERO C[C@@H](C[NH2+][C@@H]1CCCc2cccnc21)N(C)C(=O)OC(C)(C)C ZINC000304304928 657622279 /nfs/dbraw/zinc/62/22/79/657622279.db2.gz PNEOQXWXEUTCMZ-DZGCQCFKSA-N 1 0 319.449 3.304 10 0 DGAERO O=C(CN1CCCCCCC1)Nc1nc2c(s1)CCCC2 ZINC000097472466 657640740 /nfs/dbraw/zinc/64/07/40/657640740.db2.gz ZXIHYXOWXXITBO-UHFFFAOYSA-N 1 0 307.463 3.227 10 0 DGAERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccc(Br)s1 ZINC000720430944 657706805 /nfs/dbraw/zinc/70/68/05/657706805.db2.gz YAMHJOKRRINQNP-RYUDHWBXSA-N 1 0 315.280 3.179 10 0 DGAERO Cn1cc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)c(Br)n1 ZINC000720652079 658053344 /nfs/dbraw/zinc/05/33/44/658053344.db2.gz FQPPYLOHRKFQQA-AAEUAGOBSA-N 1 0 312.255 3.241 10 0 DGAERO CC[C@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CC1(C)C ZINC000720660596 658056673 /nfs/dbraw/zinc/05/66/73/658056673.db2.gz IWACKEOZISLSIN-QWRGUYRKSA-N 1 0 300.244 3.097 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1C(F)(F)F ZINC000720846439 658148596 /nfs/dbraw/zinc/14/85/96/658148596.db2.gz VAMKFZLGHIEZFN-GXSJLCMTSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2cccc(Cl)c2F)C[C@@H]1C(F)(F)F ZINC000720843015 658149587 /nfs/dbraw/zinc/14/95/87/658149587.db2.gz GKEPDWYCMREWII-UWVGGRQHSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2cccc(Cl)c2F)C[C@H]1C(F)(F)F ZINC000720843016 658149825 /nfs/dbraw/zinc/14/98/25/658149825.db2.gz GKEPDWYCMREWII-VHSXEESVSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2F)C[C@H]1C(F)(F)F ZINC000720841936 658149940 /nfs/dbraw/zinc/14/99/40/658149940.db2.gz AUXQBSFDYICBMA-GXSJLCMTSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@H]1C(F)(F)F ZINC000720841939 658150084 /nfs/dbraw/zinc/15/00/84/658150084.db2.gz AUXQBSFDYICBMA-MWLCHTKSSA-N 1 0 310.722 3.048 10 0 DGAERO CC1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC(F)(F)C1 ZINC000720900583 658231519 /nfs/dbraw/zinc/23/15/19/658231519.db2.gz ODMQKKBEUFZAOW-UHFFFAOYSA-N 1 0 301.299 3.247 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000720923292 658236627 /nfs/dbraw/zinc/23/66/27/658236627.db2.gz NJHMHKZTMYYJON-UHFFFAOYSA-N 1 0 318.408 3.411 10 0 DGAERO C[C@@H](CC[NH2+]CCc1cc(Cl)cc(Cl)c1)[S@@](C)=O ZINC000722145552 658277821 /nfs/dbraw/zinc/27/78/21/658277821.db2.gz UKVCPRBOISAWIP-XTZNXHDOSA-N 1 0 308.274 3.283 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1ccccn1 ZINC000721043339 658413011 /nfs/dbraw/zinc/41/30/11/658413011.db2.gz ZOQZXPAFLDGNCS-HUUCEWRRSA-N 1 0 319.449 3.064 10 0 DGAERO CSC[C@](C)(O)C[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722145961 658781637 /nfs/dbraw/zinc/78/16/37/658781637.db2.gz ZWODSFKPGNQRMD-CYBMUJFWSA-N 1 0 308.274 3.240 10 0 DGAERO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1OC ZINC000045098272 658942151 /nfs/dbraw/zinc/94/21/51/658942151.db2.gz ZCSAVGNVFOQARN-LBPRGKRZSA-N 1 0 315.369 3.283 10 0 DGAERO O=C(CCc1cccs1)NCC1(C[NH+]2CCCCC2)CC1 ZINC000223555585 658990918 /nfs/dbraw/zinc/99/09/18/658990918.db2.gz INXQYKBVGXGCRJ-UHFFFAOYSA-N 1 0 306.475 3.063 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000058525553 659085522 /nfs/dbraw/zinc/08/55/22/659085522.db2.gz SMWIMVZVIUVCHM-MOPGFXCFSA-N 1 0 311.425 3.436 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1Br ZINC000227807589 659164543 /nfs/dbraw/zinc/16/45/43/659164543.db2.gz POMQVXHIUKJFOZ-NXEZZACHSA-N 1 0 304.253 3.212 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000228118903 659175961 /nfs/dbraw/zinc/17/59/61/659175961.db2.gz JXCQWZXRUATYAV-UHFFFAOYSA-N 1 0 311.857 3.056 10 0 DGAERO CSCCCC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000229250650 659248920 /nfs/dbraw/zinc/24/89/20/659248920.db2.gz JGPHTZSAIWURQE-ZDUSSCGKSA-N 1 0 307.381 3.472 10 0 DGAERO CN(C/C=C\c1ccccc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000229872860 659286612 /nfs/dbraw/zinc/28/66/12/659286612.db2.gz SSGWNJCQYVMJJZ-IBWPDUFMSA-N 1 0 300.446 3.423 10 0 DGAERO COCC[C@@]1(CO)CCC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000229915617 659289709 /nfs/dbraw/zinc/28/97/09/659289709.db2.gz BMCBCGHVKQFFLH-LYDJUCFBSA-N 1 0 303.446 3.201 10 0 DGAERO C[Si](C)(C)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000171734825 659296893 /nfs/dbraw/zinc/29/68/93/659296893.db2.gz RYHMUHKLPSZNTP-UHFFFAOYSA-N 1 0 316.521 3.165 10 0 DGAERO CCCC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000062554701 659333545 /nfs/dbraw/zinc/33/35/45/659333545.db2.gz LIGZVBONCCPPEB-UHFFFAOYSA-N 1 0 300.446 3.400 10 0 DGAERO C[NH2+]C[C@@H]1CCCCN1Cc1csc(-c2ccsc2)n1 ZINC000063168726 659369995 /nfs/dbraw/zinc/36/99/95/659369995.db2.gz SWASOLMWZNOYTK-AWEZNQCLSA-N 1 0 307.488 3.446 10 0 DGAERO C[C@H](O)C1CC[NH+](Cn2ccc(=S)c3ccccc32)CC1 ZINC000173356214 659382105 /nfs/dbraw/zinc/38/21/05/659382105.db2.gz DYYJIMDQDAEHRX-ZDUSSCGKSA-N 1 0 302.443 3.421 10 0 DGAERO Clc1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)s1 ZINC000312612160 659547568 /nfs/dbraw/zinc/54/75/68/659547568.db2.gz KNZBFWWINYZVTE-MNOVXSKESA-N 1 0 321.273 3.008 10 0 DGAERO CCc1csc([C@H]2CCCN(CN3C[C@@H](CC)CC3=O)C2)n1 ZINC000245874365 659646643 /nfs/dbraw/zinc/64/66/43/659646643.db2.gz QMXWNGCZIAZIJM-KBPBESRZSA-N 1 0 321.490 3.101 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+]C[C@H](O)C(C)(C)C)C(C)(C)C ZINC000324306796 659655472 /nfs/dbraw/zinc/65/54/72/659655472.db2.gz XTICOMWBNOCDRY-ZDUSSCGKSA-N 1 0 316.486 3.019 10 0 DGAERO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1O ZINC000179944973 659947310 /nfs/dbraw/zinc/94/73/10/659947310.db2.gz LBJFTFCHIFDPFE-HNNXBMFYSA-N 1 0 318.461 3.073 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000238053502 659955537 /nfs/dbraw/zinc/95/55/37/659955537.db2.gz QSZIVGYZDYAOFG-GXSJLCMTSA-N 1 0 308.834 3.412 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC000180523355 659965073 /nfs/dbraw/zinc/96/50/73/659965073.db2.gz CJHNLVMRKWFGRA-GHMZBOCLSA-N 1 0 313.467 3.405 10 0 DGAERO c1[nH]nc2c1[C@@H](NC1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000353524191 659995607 /nfs/dbraw/zinc/99/56/07/659995607.db2.gz ZSDROVYMIZVXRB-KRWDZBQOSA-N 1 0 302.466 3.174 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CCN1Cc1ccccc1 ZINC000353533402 659996005 /nfs/dbraw/zinc/99/60/05/659996005.db2.gz RTVURHWKKUUXAN-HHXXYDBFSA-N 1 0 324.472 3.430 10 0 DGAERO O[C@@]1(C[NH2+]Cc2cccc3cnccc32)CCc2ccccc21 ZINC000181542237 660006338 /nfs/dbraw/zinc/00/63/38/660006338.db2.gz FNQOOSMJOGWXKF-HXUWFJFHSA-N 1 0 304.393 3.158 10 0 DGAERO CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCOC1=O ZINC000181677938 660014460 /nfs/dbraw/zinc/01/44/60/660014460.db2.gz DMQFAVSAHZUORA-ZDUSSCGKSA-N 1 0 316.401 3.488 10 0 DGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000069870424 660026979 /nfs/dbraw/zinc/02/69/79/660026979.db2.gz PXOWSMUWMGVLCG-MOPGFXCFSA-N 1 0 312.413 3.054 10 0 DGAERO CSCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182199453 660037880 /nfs/dbraw/zinc/03/78/80/660037880.db2.gz QKUPRENMKPDVPK-HUUCEWRRSA-N 1 0 315.527 3.034 10 0 DGAERO Cc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2ccccc2)c1O ZINC000182218643 660038808 /nfs/dbraw/zinc/03/88/08/660038808.db2.gz MBGIDOJLYYBMOB-KRWDZBQOSA-N 1 0 305.805 3.351 10 0 DGAERO Cc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1O ZINC000182677275 660070702 /nfs/dbraw/zinc/07/07/02/660070702.db2.gz UGWVLFXGKBCVMY-QGZVFWFLSA-N 1 0 323.795 3.490 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)s1 ZINC000183240851 660105800 /nfs/dbraw/zinc/10/58/00/660105800.db2.gz TVRNDGAWZHSGMP-AWEZNQCLSA-N 1 0 324.490 3.317 10 0 DGAERO [NH3+]CCOc1ccc(NC(=O)C[C@@H]2CCCc3ccccc32)cc1 ZINC000183278255 660107088 /nfs/dbraw/zinc/10/70/88/660107088.db2.gz BHSRQGCJLSRVOV-INIZCTEOSA-N 1 0 324.424 3.473 10 0 DGAERO CC(C)[C@H](C)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000081056329 660153100 /nfs/dbraw/zinc/15/31/00/660153100.db2.gz GGEFMGNBEUYLQJ-BXUZGUMPSA-N 1 0 300.240 3.364 10 0 DGAERO Cc1ccc(CCCC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000040653240 661832357 /nfs/dbraw/zinc/83/23/57/661832357.db2.gz XZPABNLZVMLXSK-QGZVFWFLSA-N 1 0 302.462 3.308 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1Cc1ccc(Br)s1 ZINC000042407724 661840330 /nfs/dbraw/zinc/84/03/30/661840330.db2.gz KISLURVZQXLDGR-SNVBAGLBSA-N 1 0 303.269 3.085 10 0 DGAERO CCN(c1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)C(C)C ZINC000075994881 661961800 /nfs/dbraw/zinc/96/18/00/661961800.db2.gz ULGFFRWYVCVDGF-UHFFFAOYSA-N 1 0 318.465 3.137 10 0 DGAERO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)nc2ccccc12 ZINC000189252468 661970972 /nfs/dbraw/zinc/97/09/72/661970972.db2.gz WICYYSBQEXCRQT-ZDUSSCGKSA-N 1 0 318.804 3.416 10 0 DGAERO CC[C@@]1(CO)CCC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000189648212 661985956 /nfs/dbraw/zinc/98/59/56/661985956.db2.gz LZFMSYHLCHTMGC-RDJZCZTQSA-N 1 0 322.836 3.070 10 0 DGAERO CC[N@H+](CN1Cc2ccc(OC)cc2C1=O)C1CCCCC1 ZINC000189695298 661987552 /nfs/dbraw/zinc/98/75/52/661987552.db2.gz YJWPROFMZKSACX-UHFFFAOYSA-N 1 0 302.418 3.263 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000077455834 662027149 /nfs/dbraw/zinc/02/71/49/662027149.db2.gz RJQUKSINKPFZCE-MRXNPFEDSA-N 1 0 315.889 3.474 10 0 DGAERO CN1CCN(C(=O)CSC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000078449832 662068728 /nfs/dbraw/zinc/06/87/28/662068728.db2.gz IXIUOKOGKFBJNP-HNNXBMFYSA-N 1 0 306.475 3.033 10 0 DGAERO CC(=O)CCCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000192431054 662097826 /nfs/dbraw/zinc/09/78/26/662097826.db2.gz RFYSZXROPFOGJQ-UHFFFAOYSA-N 1 0 317.429 3.201 10 0 DGAERO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(C(F)(F)F)s1 ZINC000717985045 662213064 /nfs/dbraw/zinc/21/30/64/662213064.db2.gz OJDVOYSNZASQNG-NKWVEPMBSA-N 1 0 303.296 3.434 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccc(C(F)(F)F)s1 ZINC000717967468 662213518 /nfs/dbraw/zinc/21/35/18/662213518.db2.gz JGKRYYKLQJHSQK-HRDYMLBCSA-N 1 0 306.353 3.085 10 0 DGAERO Cc1coc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000718053978 662216235 /nfs/dbraw/zinc/21/62/35/662216235.db2.gz TYCIKAOMADWWSY-KGLIPLIRSA-N 1 0 308.422 3.371 10 0 DGAERO COC(C)(C)CC[NH2+]Cc1nc(C)c(Br)s1 ZINC000719275112 662272280 /nfs/dbraw/zinc/27/22/80/662272280.db2.gz RAIJRVAIWLYFHD-UHFFFAOYSA-N 1 0 307.257 3.119 10 0 DGAERO Cc1nc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)sc1Br ZINC000719285726 662272837 /nfs/dbraw/zinc/27/28/37/662272837.db2.gz CAMMGGJGBLBPBR-HLFIEIIFSA-N 1 0 319.268 3.116 10 0 DGAERO [NH3+]C1CC(CC(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000718091334 662221832 /nfs/dbraw/zinc/22/18/32/662221832.db2.gz NHNPNQRHHUWZIM-UHFFFAOYSA-N 1 0 304.337 3.364 10 0 DGAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000245528639 662234769 /nfs/dbraw/zinc/23/47/69/662234769.db2.gz FEWNQMODCFTAMJ-LTIDMASMSA-N 1 0 307.434 3.230 10 0 DGAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000245528642 662234888 /nfs/dbraw/zinc/23/48/88/662234888.db2.gz FEWNQMODCFTAMJ-YYIAUSFCSA-N 1 0 307.434 3.230 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1SC(F)F ZINC000089449007 662243655 /nfs/dbraw/zinc/24/36/55/662243655.db2.gz YPXFFPVVSWSROP-VHSXEESVSA-N 1 0 300.374 3.315 10 0 DGAERO COCC(C)(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000718710782 662260386 /nfs/dbraw/zinc/26/03/86/662260386.db2.gz UNJCJDOGLDQHRN-SJLPKXTDSA-N 1 0 304.478 3.302 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000718737358 662260948 /nfs/dbraw/zinc/26/09/48/662260948.db2.gz UPRRTWJFVSMCOG-RBSFLKMASA-N 1 0 314.470 3.227 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000718737356 662260996 /nfs/dbraw/zinc/26/09/96/662260996.db2.gz UPRRTWJFVSMCOG-QLFBSQMISA-N 1 0 314.470 3.227 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000718823708 662262119 /nfs/dbraw/zinc/26/21/19/662262119.db2.gz ISKJQBQQMDVOKH-RRFJBIMHSA-N 1 0 314.470 3.179 10 0 DGAERO CCC[N@H+](CC)CCNCc1nc(C)c(Br)s1 ZINC000719214401 662271516 /nfs/dbraw/zinc/27/15/16/662271516.db2.gz COZXKYVOVLDFAL-UHFFFAOYSA-N 1 0 320.300 3.036 10 0 DGAERO CCC[C@@]1([NH2+]Cc2nc(C)c(Br)s2)CCOC1 ZINC000719218218 662271522 /nfs/dbraw/zinc/27/15/22/662271522.db2.gz MAUXMHAIGORQTG-GFCCVEGCSA-N 1 0 319.268 3.263 10 0 DGAERO Cc1nc(C[NH2+]C[C@H]2CCO[C@H](C)C2)sc1Br ZINC000719242066 662271935 /nfs/dbraw/zinc/27/19/35/662271935.db2.gz WPJQOKDUQWRQDM-SCZZXKLOSA-N 1 0 319.268 3.119 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2ccccc2Cl)C1 ZINC000246794742 662281273 /nfs/dbraw/zinc/28/12/73/662281273.db2.gz RKKHLHOFTIXRFI-IVAPMYIESA-N 1 0 318.848 3.296 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1cc(Br)cs1 ZINC000719650552 662295395 /nfs/dbraw/zinc/29/53/95/662295395.db2.gz YNHFMPBHIGRELX-NGZCFLSTSA-N 1 0 303.269 3.254 10 0 DGAERO COCc1csc(C[NH2+]CCOC(F)(F)C(F)(F)F)c1 ZINC000720258217 662307687 /nfs/dbraw/zinc/30/76/87/662307687.db2.gz DGYWJTQGYOKSNJ-UHFFFAOYSA-N 1 0 319.295 3.156 10 0 DGAERO COCC1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000091670077 662312609 /nfs/dbraw/zinc/31/26/09/662312609.db2.gz ZKWHDZLBFMZOFL-MRXNPFEDSA-N 1 0 322.836 3.191 10 0 DGAERO COCC1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000091670075 662312619 /nfs/dbraw/zinc/31/26/19/662312619.db2.gz ZKWHDZLBFMZOFL-INIZCTEOSA-N 1 0 322.836 3.191 10 0 DGAERO Cc1cc(C)cc([C@@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247482166 662322204 /nfs/dbraw/zinc/32/22/04/662322204.db2.gz KEOFDYLLZCBISA-ICSRJNTNSA-N 1 0 316.489 3.145 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(Cl)ccc1Cl ZINC000092628280 662333485 /nfs/dbraw/zinc/33/34/85/662333485.db2.gz UUXQXYPRTDMSKO-NSHDSACASA-N 1 0 302.249 3.305 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000248506312 662350264 /nfs/dbraw/zinc/35/02/64/662350264.db2.gz WQMPKERKKGROMN-WCXIOVBPSA-N 1 0 307.434 3.230 10 0 DGAERO C[C@]1(C[NH2+]C[C@H]2CCC=CO2)CCCN1Cc1ccccc1 ZINC000249041529 662363238 /nfs/dbraw/zinc/36/32/38/662363238.db2.gz UWLCRAYGNVJIKX-RTBURBONSA-N 1 0 300.446 3.323 10 0 DGAERO O=C(CC[N@@H+]1CCCC12CCC2)c1ccc2c(c1)OCCO2 ZINC000489019201 685262792 /nfs/dbraw/zinc/26/27/92/685262792.db2.gz USKXWIPFYYVGPK-UHFFFAOYSA-N 1 0 301.386 3.049 10 0 DGAERO COc1cc(Br)ccc1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000712324414 685275336 /nfs/dbraw/zinc/27/53/36/685275336.db2.gz AIUPCCWFZCNRJN-WDEREUQCSA-N 1 0 313.239 3.258 10 0 DGAERO COc1ccccc1/C=C\C[NH2+]Cc1cn2cccc(C)c2n1 ZINC000255199564 685121158 /nfs/dbraw/zinc/12/11/58/685121158.db2.gz VZWLSGIBNBOVTF-UITAMQMPSA-N 1 0 307.397 3.454 10 0 DGAERO CCC[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)OC ZINC000378767198 685144669 /nfs/dbraw/zinc/14/46/69/685144669.db2.gz YQVLXWLRKPPXRI-RBSFLKMASA-N 1 0 314.470 3.037 10 0 DGAERO Cc1ccc(F)c(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000379480509 685148309 /nfs/dbraw/zinc/14/83/09/685148309.db2.gz URTSXBBVPQJREO-ZDUSSCGKSA-N 1 0 310.413 3.479 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000379619331 685149113 /nfs/dbraw/zinc/14/91/13/685149113.db2.gz BKVTXZQELFHMAH-RBUKOAKNSA-N 1 0 302.462 3.057 10 0 DGAERO C[C@H]([NH2+]Cc1nc(Br)c[nH]1)[C@@H]1CC2CCC1CC2 ZINC000381594803 685159044 /nfs/dbraw/zinc/15/90/44/685159044.db2.gz FEYHGTDFUDFWOA-XKGSQUFQSA-N 1 0 312.255 3.477 10 0 DGAERO C[C@@H](CCc1ccco1)[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381885137 685160530 /nfs/dbraw/zinc/16/05/30/685160530.db2.gz PXEJWMZTGFULBF-GXMNPTEKSA-N 1 0 308.422 3.271 10 0 DGAERO Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000381973284 685161784 /nfs/dbraw/zinc/16/17/84/685161784.db2.gz CRCNSSBSAIEKDW-UHFFFAOYSA-N 1 0 323.437 3.028 10 0 DGAERO CCN(CC[NH2+]C[C@]1(C)CCCS1)C(=O)OC(C)(C)C ZINC000382113383 685162263 /nfs/dbraw/zinc/16/22/63/685162263.db2.gz FGOAGHPDDUHCNY-HNNXBMFYSA-N 1 0 302.484 3.119 10 0 DGAERO CC(C)(C)OC(=O)NC1(C[NH2+]C[C@]2(C)CCCS2)CCC1 ZINC000382252079 685162593 /nfs/dbraw/zinc/16/25/93/685162593.db2.gz VIHGBLKVVZLLEL-HNNXBMFYSA-N 1 0 314.495 3.309 10 0 DGAERO CSCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000382405591 685163620 /nfs/dbraw/zinc/16/36/20/685163620.db2.gz ANLWEWGDIJVXSL-UONOGXRCSA-N 1 0 316.511 3.413 10 0 DGAERO Cc1ccc(C[C@@H](C)[NH2+]Cc2nc(Br)c[nH]2)s1 ZINC000383348974 685166465 /nfs/dbraw/zinc/16/64/65/685166465.db2.gz ZNLAVHVSLACDOA-MRVPVSSYSA-N 1 0 314.252 3.263 10 0 DGAERO CSC(C)(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000385225335 685173890 /nfs/dbraw/zinc/17/38/90/685173890.db2.gz MJDROSKUUXHRMU-VXGBXAGGSA-N 1 0 304.500 3.409 10 0 DGAERO CSC(C)(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000385225333 685173959 /nfs/dbraw/zinc/17/39/59/685173959.db2.gz MJDROSKUUXHRMU-RYUDHWBXSA-N 1 0 304.500 3.409 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000387520865 685184533 /nfs/dbraw/zinc/18/45/33/685184533.db2.gz HTLFHLOBDWELKA-CHWSQXEVSA-N 1 0 302.484 3.117 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000390714777 685203835 /nfs/dbraw/zinc/20/38/35/685203835.db2.gz BXLODORPBLPLOD-RHSMWYFYSA-N 1 0 302.418 3.176 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000390780169 685205157 /nfs/dbraw/zinc/20/51/57/685205157.db2.gz RLFCMRUMVHHZIK-VXGBXAGGSA-N 1 0 304.381 3.163 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)[C@H](C)NC(=O)OC(C)(C)C ZINC000394610251 685222593 /nfs/dbraw/zinc/22/25/93/685222593.db2.gz MGQXSWHQHCZQAU-FRRDWIJNSA-N 1 0 314.470 3.224 10 0 DGAERO CCc1ccc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)s1 ZINC000397804299 685232357 /nfs/dbraw/zinc/23/23/57/685232357.db2.gz XEFDLZVYVGFTJD-UHFFFAOYSA-N 1 0 310.463 3.267 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000397826714 685232362 /nfs/dbraw/zinc/23/23/62/685232362.db2.gz QAIIHIINTYCPRT-UHFFFAOYSA-N 1 0 316.401 3.389 10 0 DGAERO CC(C)[C@@H](C[NH2+][C@H](C)CC1CC1)ONC(=O)OC(C)(C)C ZINC000398864621 1176052417 /nfs/dbraw/zinc/05/24/17/1176052417.db2.gz MNXHJSWKXOTQOK-TZMCWYRMSA-N 1 0 300.443 3.246 10 0 DGAERO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000393340437 1176603586 /nfs/dbraw/zinc/60/35/86/1176603586.db2.gz ZWHSYGZQSJQAIN-NEPJUHHUSA-N 1 0 314.271 3.487 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H]2CSC2(C)C)C1 ZINC000393878856 1176721178 /nfs/dbraw/zinc/72/11/78/1176721178.db2.gz JKUKGBMOFPTREM-STQMWFEESA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1cccc(F)c1F ZINC000397895906 1176781318 /nfs/dbraw/zinc/78/13/18/1176781318.db2.gz RYVUIVBIRYDRCC-UHFFFAOYSA-N 1 0 314.376 3.359 10 0 DGAERO C[C@H](C[C@H](C)O)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000228089406 1176802791 /nfs/dbraw/zinc/80/27/91/1176802791.db2.gz VZSHESSWTJZPIJ-IALDZJHCSA-N 1 0 312.251 3.444 10 0 DGAERO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000228108031 1176805858 /nfs/dbraw/zinc/80/58/58/1176805858.db2.gz SCLGHMSSXYUFNN-NSHDSACASA-N 1 0 311.857 3.103 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1cc(Br)ccc1OC ZINC000398588470 1177027008 /nfs/dbraw/zinc/02/70/08/1177027008.db2.gz VYQJUNJHJSTSEN-ZDUSSCGKSA-N 1 0 316.239 3.098 10 0 DGAERO CC(C)C[C@@H](C)[NH2+]C[C@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398671359 1177027679 /nfs/dbraw/zinc/02/76/79/1177027679.db2.gz FBYMWQZQNNRPPC-KGLIPLIRSA-N 1 0 302.459 3.492 10 0 DGAERO CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)ONC(=O)OC(C)(C)C ZINC000398708308 1177028076 /nfs/dbraw/zinc/02/80/76/1177028076.db2.gz UMTMLWBZRZBNPT-RDBSUJKOSA-N 1 0 300.443 3.246 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc(F)c1N ZINC000382744655 1177030388 /nfs/dbraw/zinc/03/03/88/1177030388.db2.gz RLBFLIGYMJYVDF-OAHLLOKOSA-N 1 0 313.420 3.114 10 0 DGAERO Cc1cc(Br)c(CNCCC[NH+](C)C)cc1Cl ZINC000310066853 1177164908 /nfs/dbraw/zinc/16/49/08/1177164908.db2.gz BSLDNSXOZJONBD-UHFFFAOYSA-N 1 0 319.674 3.452 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)c(F)c1 ZINC000088083987 1177220776 /nfs/dbraw/zinc/22/07/76/1177220776.db2.gz UADDVHFQAIZGAJ-CABZTGNLSA-N 1 0 315.186 3.044 10 0 DGAERO CC(C)C[C@@H](C)[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000129912676 1177313364 /nfs/dbraw/zinc/31/33/64/1177313364.db2.gz KPRYJFKRWMUKPB-LLVKDONJSA-N 1 0 303.855 3.268 10 0 DGAERO COc1ccc(-c2n[nH]cc2C[NH2+]CCCOCC(C)C)cc1 ZINC000053946107 1194748344 /nfs/dbraw/zinc/74/83/44/1194748344.db2.gz HYWQGTYOZYNRIC-UHFFFAOYSA-N 1 0 317.433 3.238 10 0 DGAERO CC(C)Oc1ccccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000060818095 1195157646 /nfs/dbraw/zinc/15/76/46/1195157646.db2.gz SSRAFVYAKJYXDX-MRXNPFEDSA-N 1 0 313.397 3.403 10 0 DGAERO COc1ccc(C[NH2+]CCc2ccccn2)cc1OC(F)F ZINC000060815783 1195157720 /nfs/dbraw/zinc/15/77/20/1195157720.db2.gz HCMVPIXCKIXLNL-UHFFFAOYSA-N 1 0 308.328 3.024 10 0 DGAERO COc1ccc(C[NH2+]CCCOCc2ccccc2)cc1O ZINC000061743995 1195207703 /nfs/dbraw/zinc/20/77/03/1195207703.db2.gz KGSNDINTATUUKR-UHFFFAOYSA-N 1 0 301.386 3.097 10 0 DGAERO COc1ccc(C[NH2+]CCCOCc2ccccc2)c(OC)c1 ZINC000061743961 1195207819 /nfs/dbraw/zinc/20/78/19/1195207819.db2.gz DRVQTWDDVUXLFK-UHFFFAOYSA-N 1 0 315.413 3.400 10 0 DGAERO CNC(=O)c1cccc(C[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC000072960216 1196124683 /nfs/dbraw/zinc/12/46/83/1196124683.db2.gz QFADHFCWOOZPKI-UHFFFAOYSA-N 1 0 324.424 3.090 10 0 DGAERO OC[C@@H]1CCCCC[N@@H+]1Cc1ccsc1Br ZINC000388886994 1197709130 /nfs/dbraw/zinc/70/91/30/1197709130.db2.gz LMWQPZIVQHGRHT-NSHDSACASA-N 1 0 304.253 3.248 10 0 DGAERO CCOCCC[N@H+](C)Cc1ccc(Br)cc1F ZINC000394891629 1197721913 /nfs/dbraw/zinc/72/19/13/1197721913.db2.gz IBINLXVBJFDGGP-UHFFFAOYSA-N 1 0 304.203 3.447 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2F)[C@@H](C)O1 ZINC000395002347 1197722284 /nfs/dbraw/zinc/72/22/84/1197722284.db2.gz FIGVIFJDWGWBHI-LNLATYFQSA-N 1 0 302.187 3.244 10 0 DGAERO CCC[C@H](C[NH2+]C[C@H]1CCCCN1Cc1ccccc1)OC ZINC000379639175 1197703919 /nfs/dbraw/zinc/70/39/19/1197703919.db2.gz AOFTXFOHKKKDCR-RTBURBONSA-N 1 0 304.478 3.446 10 0 DGAERO C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1I ZINC000379641287 1197704286 /nfs/dbraw/zinc/70/42/86/1197704286.db2.gz VFBRDMODYVJJPR-ONGXEEELSA-N 1 0 301.171 3.037 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCOc1ccccc1 ZINC000389860532 1197711818 /nfs/dbraw/zinc/71/18/18/1197711818.db2.gz GRFYEWRNNYMFLE-XLIONFOSSA-N 1 0 310.441 3.176 10 0 DGAERO CC(C)[C@H](CO)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000092393943 1198567132 /nfs/dbraw/zinc/56/71/32/1198567132.db2.gz XYPNNXIDYACQEK-ZALBZXLWSA-N 1 0 312.251 3.302 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000096628151 1198985902 /nfs/dbraw/zinc/98/59/02/1198985902.db2.gz UOOQVOLXXLNVBV-INIZCTEOSA-N 1 0 315.461 3.346 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)o1 ZINC000401725113 1199416793 /nfs/dbraw/zinc/41/67/93/1199416793.db2.gz LDQKFRCQEBXBPU-OCCSQVGLSA-N 1 0 308.422 3.323 10 0 DGAERO CCSCCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401754865 1199417819 /nfs/dbraw/zinc/41/78/19/1199417819.db2.gz ZYXKKBWFHLBXLQ-KBPBESRZSA-N 1 0 316.511 3.365 10 0 DGAERO CC(C)SCC[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401811934 1199420368 /nfs/dbraw/zinc/42/03/68/1199420368.db2.gz GBSBRXJIUMBCKA-MRXNPFEDSA-N 1 0 322.474 3.129 10 0 DGAERO Brc1cccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403535123 1199501844 /nfs/dbraw/zinc/50/18/44/1199501844.db2.gz BBDYGDYSLXFYID-FGWVZKOKSA-N 1 0 313.264 3.360 10 0 DGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000302872327 1199548860 /nfs/dbraw/zinc/54/88/60/1199548860.db2.gz NPLSRTUWXFRGIB-UXHICEINSA-N 1 0 317.521 3.217 10 0 DGAERO Cc1cc(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)sn1 ZINC000404418173 1199554467 /nfs/dbraw/zinc/55/44/67/1199554467.db2.gz PWTYIBWQRUHTKK-OAHLLOKOSA-N 1 0 303.475 3.452 10 0 DGAERO CCSCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404743651 1199581374 /nfs/dbraw/zinc/58/13/74/1199581374.db2.gz QSEAXSRYPHUTMS-NWDGAFQWSA-N 1 0 302.484 3.021 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)C1(C)C ZINC000404802267 1199586294 /nfs/dbraw/zinc/58/62/94/1199586294.db2.gz KOKWVHUWUZGXNG-SBJFKYEJSA-N 1 0 308.466 3.456 10 0 DGAERO CCOc1cc(NCCC[N@H+](C)Cc2ccccc2)nc(C)n1 ZINC000303219265 1199588239 /nfs/dbraw/zinc/58/82/39/1199588239.db2.gz IPKJFLZFXVGPHI-UHFFFAOYSA-N 1 0 314.433 3.118 10 0 DGAERO Brc1cccc(C[NH2+]CCOc2cccnc2)c1 ZINC000114507147 1199703299 /nfs/dbraw/zinc/70/32/99/1199703299.db2.gz LAFQTJVPEAEBKH-UHFFFAOYSA-N 1 0 307.191 3.013 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(I)cc1 ZINC000307186232 1199700155 /nfs/dbraw/zinc/70/01/55/1199700155.db2.gz LLNABGZIZOSLJD-BXKDBHETSA-N 1 0 301.171 3.179 10 0 DGAERO COCC1(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)CCC1 ZINC000309782254 1199710288 /nfs/dbraw/zinc/71/02/88/1199710288.db2.gz LISKHADIHGYDHJ-CQSZACIVSA-N 1 0 314.470 3.086 10 0 DGAERO Clc1cccc(C[NH2+]CCOC[C@H]2CCCO2)c1Cl ZINC000115624890 1199757249 /nfs/dbraw/zinc/75/72/49/1199757249.db2.gz CFDOMMJIDINRSV-GFCCVEGCSA-N 1 0 304.217 3.279 10 0 DGAERO CC[C@](C)(C[NH2+]C[C@H]1CCCCN1Cc1ccccc1)OC ZINC000319817713 1199841632 /nfs/dbraw/zinc/84/16/32/1199841632.db2.gz HXSICCNHSHGPJZ-RTBURBONSA-N 1 0 304.478 3.446 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1Cl ZINC000124598288 1200356110 /nfs/dbraw/zinc/35/61/10/1200356110.db2.gz CKCXALJTEZBVFD-CQSZACIVSA-N 1 0 317.820 3.275 10 0 DGAERO CSCCCC[NH2+]Cc1cc(O)ccc1Br ZINC000124737946 1200356215 /nfs/dbraw/zinc/35/62/15/1200356215.db2.gz XNDRKVXWLFXTEP-UHFFFAOYSA-N 1 0 304.253 3.388 10 0 DGAERO CC(=O)N1CCC(C[NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000127109152 1200675896 /nfs/dbraw/zinc/67/58/96/1200675896.db2.gz HXRDLJQMUJSFLS-UHFFFAOYSA-N 1 0 308.491 3.394 10 0 DGAERO CCN(CC[NH2+]Cc1cc(Br)c(C)s1)C1CC1 ZINC000217438510 1202505577 /nfs/dbraw/zinc/50/55/77/1202505577.db2.gz ORJQDBFKWSGCAK-UHFFFAOYSA-N 1 0 317.296 3.393 10 0 DGAERO O[C@@H]1CC[C@H](C[NH2+]C2CC(c3ccccc3Br)C2)C1 ZINC000227560381 1202565451 /nfs/dbraw/zinc/56/54/51/1202565451.db2.gz UEEPLBMXKKKVNG-GFJIZPEISA-N 1 0 324.262 3.446 10 0 DGAERO Fc1cccc(C[NH2+]CCNc2ncccc2C(F)(F)F)c1 ZINC000152755400 1202595162 /nfs/dbraw/zinc/59/51/62/1202595162.db2.gz QVQNMDNDHOTSGK-UHFFFAOYSA-N 1 0 313.298 3.441 10 0 DGAERO COC(C)(C)CC[NH2+]Cc1cc(Br)ccc1F ZINC000231024779 1202598938 /nfs/dbraw/zinc/59/89/38/1202598938.db2.gz ZPXSORCQSBAETP-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ncc(Br)cc1F ZINC000232615684 1202601771 /nfs/dbraw/zinc/60/17/71/1202601771.db2.gz ZTWLBWCGGGWEHF-NSHDSACASA-N 1 0 318.234 3.371 10 0 DGAERO CC1(C)C[C@@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000232936101 1202602234 /nfs/dbraw/zinc/60/22/34/1202602234.db2.gz CZTKZHKVNATUGM-LLVKDONJSA-N 1 0 315.198 3.427 10 0 DGAERO c1[nH]nc2cc(C[NH2+]CCCc3nc4ccccc4[nH]3)ccc12 ZINC000236723560 1202622367 /nfs/dbraw/zinc/62/23/67/1202622367.db2.gz CVBGFJHWIQXTJO-UHFFFAOYSA-N 1 0 305.385 3.162 10 0 DGAERO Fc1cc(Br)cc(F)c1C[NH2+]CC1CCOCC1 ZINC000186552911 1202932317 /nfs/dbraw/zinc/93/23/17/1202932317.db2.gz HIZFCNBHCLFKEV-UHFFFAOYSA-N 1 0 320.177 3.244 10 0 DGAERO Fc1cc(OCC[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1Cl ZINC000192079075 1203287684 /nfs/dbraw/zinc/28/76/84/1203287684.db2.gz HUFBWWGPXUOWQG-MLGOLLRUSA-N 1 0 313.800 3.359 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC000246155326 1203712789 /nfs/dbraw/zinc/71/27/89/1203712789.db2.gz HREDRYSCHJPIIC-ZIAGYGMSSA-N 1 0 311.495 3.051 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246976102 1203764579 /nfs/dbraw/zinc/76/45/79/1203764579.db2.gz JLZGRPDVSHCVEB-VNQPRFMTSA-N 1 0 323.506 3.193 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000255753554 1203853756 /nfs/dbraw/zinc/85/37/56/1203853756.db2.gz FYXKQNNXQYAZLT-VDEVMWONSA-N 1 0 316.445 3.040 10 0 DGAERO CCCCOc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1OC ZINC000171765677 1203854777 /nfs/dbraw/zinc/85/47/77/1203854777.db2.gz SDXJNVUMWZUTAU-INIZCTEOSA-N 1 0 318.461 3.200 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176627937 1203937965 /nfs/dbraw/zinc/93/79/65/1203937965.db2.gz JLZGRPDVSHCVEB-BMFZPTHFSA-N 1 0 323.506 3.193 10 0 DGAERO COc1cccc([C@H](C)[NH2+]CCOc2ccc3c(c2)OCO3)c1 ZINC000177237368 1203947979 /nfs/dbraw/zinc/94/79/79/1203947979.db2.gz NJGDRPMFRFRPPN-ZDUSSCGKSA-N 1 0 315.369 3.154 10 0 DGAERO c1nc2ccccn2c1C[NH2+]CCc1cccc2cccnc21 ZINC000261374375 1203955582 /nfs/dbraw/zinc/95/55/82/1203955582.db2.gz WPKDDKWFTWRXKT-UHFFFAOYSA-N 1 0 302.381 3.215 10 0 DGAERO CCCc1csc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)n1 ZINC000261644272 1204066698 /nfs/dbraw/zinc/06/66/98/1204066698.db2.gz ALJXVMYIZLZASJ-INIZCTEOSA-N 1 0 319.449 3.381 10 0 DGAERO Cc1noc([C@H]([NH2+]CCCOCc2ccccc2)C(C)C)n1 ZINC000183320564 1204346264 /nfs/dbraw/zinc/34/62/64/1204346264.db2.gz WYZBVPSIRWBRFT-MRXNPFEDSA-N 1 0 303.406 3.272 10 0 DGAERO CC(C)[C@@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CCO1 ZINC000397874777 1082015659 /nfs/dbraw/zinc/01/56/59/1082015659.db2.gz LHZIPIKRXRJJHZ-CABCVRRESA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CCCOC(F)F ZINC000398268821 1082118369 /nfs/dbraw/zinc/11/83/69/1082118369.db2.gz XZHCIQVZTSKHOG-LBPRGKRZSA-N 1 0 324.412 3.002 10 0 DGAERO Cc1cccnc1/C=C\C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000588454983 1082331734 /nfs/dbraw/zinc/33/17/34/1082331734.db2.gz CNNVVTWPQSMPKW-MTWVLMLHSA-N 1 0 315.461 3.030 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000155324499 1084775880 /nfs/dbraw/zinc/77/58/80/1084775880.db2.gz BLCROCOYQQLFDI-RYUDHWBXSA-N 1 0 300.374 3.457 10 0 DGAERO C[C@H](C[NH2+][C@@H](CCO)C1CCCC1)COCc1ccccc1 ZINC000725076204 1084955682 /nfs/dbraw/zinc/95/56/82/1084955682.db2.gz BXBWUJIAMFKTQZ-APWZRJJASA-N 1 0 305.462 3.370 10 0 DGAERO [NH3+]CC1(CCNC(=O)/C=C\c2cc(Cl)cc(Cl)c2)CC1 ZINC000700938475 1085805811 /nfs/dbraw/zinc/80/58/11/1085805811.db2.gz NFXRPWWFQQLRMZ-UPHRSURJSA-N 1 0 313.228 3.252 10 0 DGAERO CC(C)(COCc1ccccc1)[NH2+]CCCOC(F)(F)F ZINC000713397314 1086214853 /nfs/dbraw/zinc/21/48/53/1086214853.db2.gz TUODKLLSDLKWNX-UHFFFAOYSA-N 1 0 305.340 3.498 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2ccncc2Br)OC1 ZINC000713617851 1086540678 /nfs/dbraw/zinc/54/06/78/1086540678.db2.gz FJHVAUSIDRXDGC-GFCCVEGCSA-N 1 0 313.239 3.139 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]C[C@@H]3CCC=CO3)CCC[C@@H]12 ZINC000711640240 1091328967 /nfs/dbraw/zinc/32/89/67/1091328967.db2.gz NWHNVEIKYKCQQX-HDMKZQKVSA-N 1 0 322.449 3.201 10 0 DGAERO C[C@H]([NH2+]Cc1ccncc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400395257 1093891306 /nfs/dbraw/zinc/89/13/06/1093891306.db2.gz JGGRFJOWDCSKOR-AWEZNQCLSA-N 1 0 319.449 3.207 10 0 DGAERO Brc1cccc(CC[NH2+][C@@H]2CCCc3n[nH]cc32)c1 ZINC000401685419 1093965337 /nfs/dbraw/zinc/96/53/37/1093965337.db2.gz MYDBDQQDTRDTBC-CQSZACIVSA-N 1 0 320.234 3.382 10 0 DGAERO COCCCCC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401783193 1093972449 /nfs/dbraw/zinc/97/24/49/1093972449.db2.gz RMNPBGAULAYQEJ-LSDHHAIUSA-N 1 0 314.470 3.038 10 0 DGAERO CCOCCCC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401801319 1093973142 /nfs/dbraw/zinc/97/31/42/1093973142.db2.gz NCVZPVRDDZKFHU-LSDHHAIUSA-N 1 0 314.470 3.038 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403168843 1094102375 /nfs/dbraw/zinc/10/23/75/1094102375.db2.gz CCGGBCZTWNQYIQ-QXSJWSMHSA-N 1 0 308.466 3.412 10 0 DGAERO CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)NC(=O)OC(C)(C)C ZINC000403639587 1094156896 /nfs/dbraw/zinc/15/68/96/1094156896.db2.gz PAWHFRDXTSQPRX-RLAWYHOSSA-N 1 0 314.495 3.306 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C\C2CC2)C12CCC2 ZINC000405220895 1094309506 /nfs/dbraw/zinc/30/95/06/1094309506.db2.gz MODLOZXRWNLAQQ-HMPZPJAKSA-N 1 0 306.450 3.378 10 0 DGAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000405572998 1094388862 /nfs/dbraw/zinc/38/88/62/1094388862.db2.gz DAZUDGWJDYTSPJ-KBUPBQIOSA-N 1 0 314.470 3.083 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000311648895 1094964006 /nfs/dbraw/zinc/96/40/06/1094964006.db2.gz BPZDFLGKRSTQNJ-MISYRCLQSA-N 1 0 316.489 3.446 10 0 DGAERO Cc1ccc(O)c(C[NH2+]CCc2ccc(Br)cc2)n1 ZINC000311782826 1094968328 /nfs/dbraw/zinc/96/83/28/1094968328.db2.gz ZCEJBUUXKPTZOY-UHFFFAOYSA-N 1 0 321.218 3.190 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720866425 1096071206 /nfs/dbraw/zinc/07/12/06/1096071206.db2.gz TVOKQYZWRZOYDM-FHWLQOOXSA-N 1 0 316.489 3.444 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000721904725 1098155620 /nfs/dbraw/zinc/15/56/20/1098155620.db2.gz QPOSVKFJRMHSEG-OAHLLOKOSA-N 1 0 304.434 3.422 10 0 DGAERO Cc1ccc(C[N@@H+]2C3CCC2(CO)CC3)cc1Br ZINC000723026309 1105334529 /nfs/dbraw/zinc/33/45/29/1105334529.db2.gz JQKABVXBTNKSLY-UHFFFAOYSA-N 1 0 310.235 3.247 10 0 DGAERO C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379649094 1108036145 /nfs/dbraw/zinc/03/61/45/1108036145.db2.gz NVIXIEMJDJIWJZ-KBAYOESNSA-N 1 0 304.503 3.382 10 0 DGAERO COCC1(C[NH2+]CC2(N(C)Cc3ccccc3)CCC2)CCC1 ZINC000386682534 1108448389 /nfs/dbraw/zinc/44/83/89/1108448389.db2.gz IOBIDMHYIJIVJZ-UHFFFAOYSA-N 1 0 316.489 3.447 10 0 DGAERO CN(CC[NH2+]Cc1cncc2ccccc21)Cc1ccccc1 ZINC000386808729 1108450246 /nfs/dbraw/zinc/45/02/46/1108450246.db2.gz DEGFJQBODVLCFE-UHFFFAOYSA-N 1 0 305.425 3.456 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000392863227 1108933903 /nfs/dbraw/zinc/93/39/03/1108933903.db2.gz QNNAAUCVUVQXGL-LSDHHAIUSA-N 1 0 324.262 3.464 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C1(C)C ZINC000701725862 1108980751 /nfs/dbraw/zinc/98/07/51/1108980751.db2.gz SMNMZZUWWYFXLY-UEKVPHQBSA-N 1 0 318.408 3.313 10 0 DGAERO CN1CCC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000250584218 546328990 /nfs/dbraw/zinc/32/89/90/546328990.db2.gz GLFDLUHVYCMSFD-ZFWWWQNUSA-N 1 0 309.251 3.120 10 0 DGAERO CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128962578 432002053 /nfs/dbraw/zinc/00/20/53/432002053.db2.gz BZUUJWDNKHQVLY-HZPDHXFCSA-N 1 0 321.465 3.468 10 0 DGAERO C[C@@H]([NH2+]Cc1csc(Br)c1)c1ccnn1C ZINC000278336652 214099343 /nfs/dbraw/zinc/09/93/43/214099343.db2.gz WZKCDJHWAMZQTR-MRVPVSSYSA-N 1 0 300.225 3.095 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000302575822 230305915 /nfs/dbraw/zinc/30/59/15/230305915.db2.gz CPNVRKXISSUEHI-GWCFXTLKSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000079338099 185165563 /nfs/dbraw/zinc/16/55/63/185165563.db2.gz BHRRGWZSQWVTTR-UHFFFAOYSA-N 1 0 323.506 3.427 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C/C=C/c1ccc(C)cc1 ZINC000176680781 529404047 /nfs/dbraw/zinc/40/40/47/529404047.db2.gz BECMNVKHFMJRST-PQQCZJPDSA-N 1 0 312.457 3.484 10 0 DGAERO Cc1nnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000309679446 231102531 /nfs/dbraw/zinc/10/25/31/231102531.db2.gz ABLSRFQYRNUWJU-ARFHVFGLSA-N 1 0 314.458 3.169 10 0 DGAERO c1ccc(C[NH+]2CCN(c3ncnc4c3CCCCC4)CC2)cc1 ZINC000310359136 231112537 /nfs/dbraw/zinc/11/25/37/231112537.db2.gz JJJUFMAMYDVDNC-UHFFFAOYSA-N 1 0 322.456 3.068 10 0 DGAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)o1 ZINC000328625616 231256469 /nfs/dbraw/zinc/25/64/69/231256469.db2.gz DIVNEAFRONVWAD-VYSRMENRSA-N 1 0 315.417 3.146 10 0 DGAERO Cc1cc(C[NH2+]CC[C@@H](C)[S@](C)=O)ccc1Br ZINC000129394595 432005107 /nfs/dbraw/zinc/00/51/07/432005107.db2.gz FTDKHPQNMUIAJZ-PIGZYNQJSA-N 1 0 318.280 3.004 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000184387262 282200094 /nfs/dbraw/zinc/20/00/94/282200094.db2.gz WACOWKRLOAICED-SNVBAGLBSA-N 1 0 320.742 3.135 10 0 DGAERO CC(C)CCOc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)cc1 ZINC000129473401 432005414 /nfs/dbraw/zinc/00/54/14/432005414.db2.gz SHIUOZYGCUQJFQ-VFNWGFHPSA-N 1 0 311.491 3.358 10 0 DGAERO c1ccc(OC2CCC2)c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090027297 185278831 /nfs/dbraw/zinc/27/88/31/185278831.db2.gz FBLXPYVCSMVUGG-IAGOWNOFSA-N 1 0 300.446 3.334 10 0 DGAERO Cc1ncsc1CC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000246930420 282232216 /nfs/dbraw/zinc/23/22/16/282232216.db2.gz DMJBFUNGVHCFIQ-CJNGLKHVSA-N 1 0 302.443 3.456 10 0 DGAERO COCCC[N@H+](C)Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000092537411 185324672 /nfs/dbraw/zinc/32/46/72/185324672.db2.gz QSBMDYCVFMWELA-UHFFFAOYSA-N 1 0 307.825 3.209 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccccc1Br ZINC000092664862 185332731 /nfs/dbraw/zinc/33/27/31/185332731.db2.gz VQLWOCKLWIXQAF-AWEZNQCLSA-N 1 0 311.267 3.365 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@H]2C2CCC2)cc2c1OCCO2 ZINC000092780905 185340420 /nfs/dbraw/zinc/34/04/20/185340420.db2.gz JUEDAJLWLWPZLU-HNNXBMFYSA-N 1 0 303.402 3.231 10 0 DGAERO COc1ccc(C[N@H+](C)Cc2cnc3nc(C)cc(C)n23)cc1C ZINC000092787109 185340918 /nfs/dbraw/zinc/34/09/18/185340918.db2.gz UWOMBXNTEXBEJM-UHFFFAOYSA-N 1 0 324.428 3.295 10 0 DGAERO C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)Cc1ccc(Cl)cc1 ZINC000092883628 185348078 /nfs/dbraw/zinc/34/80/78/185348078.db2.gz NLFBTFLBCZHRCV-BBRMVZONSA-N 1 0 308.853 3.119 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103320461 432006794 /nfs/dbraw/zinc/00/67/94/432006794.db2.gz JJTUHPIURKOOIT-UHFFFAOYSA-N 1 0 323.868 3.213 10 0 DGAERO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccnc1 ZINC000181394447 199289948 /nfs/dbraw/zinc/28/99/48/199289948.db2.gz YOUHYCJZJRMWCM-IAQYHMDHSA-N 1 0 321.218 3.228 10 0 DGAERO CCOC(=O)c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)o1 ZINC000181479737 199304428 /nfs/dbraw/zinc/30/44/28/199304428.db2.gz FFCNAGBAFQOJSN-UHFFFAOYSA-N 1 0 312.369 3.270 10 0 DGAERO C[C@@H](NCCC[NH2+][C@@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000181584894 199322592 /nfs/dbraw/zinc/32/25/92/199322592.db2.gz VAWHULOTCFFNBD-GASCZTMLSA-N 1 0 314.429 3.489 10 0 DGAERO CCOCCC1(C(=O)NC2CCC(C[NH+](C)C)CC2)CCCC1 ZINC000129651553 432008204 /nfs/dbraw/zinc/00/82/04/432008204.db2.gz WKWVRFUHBBRFGU-UHFFFAOYSA-N 1 0 324.509 3.210 10 0 DGAERO COC[C@@H](C)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000103394129 432008306 /nfs/dbraw/zinc/00/83/06/432008306.db2.gz CRXDSFDCNBUAPI-CQSZACIVSA-N 1 0 304.434 3.269 10 0 DGAERO C[C@H](Cc1cccc(F)c1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129733678 432008788 /nfs/dbraw/zinc/00/87/88/432008788.db2.gz IRNIEXBZRLAQJV-KSTDHSDQSA-N 1 0 320.452 3.241 10 0 DGAERO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nc(C2CCCC2)no1 ZINC000154404335 529931588 /nfs/dbraw/zinc/93/15/88/529931588.db2.gz SCOJMXBWCPXAOE-OAHLLOKOSA-N 1 0 306.454 3.033 10 0 DGAERO CN1CC[C@@H](C[N@H+](C)CCc2cccs2)[C@@H]1c1cccnc1 ZINC000328625390 529936490 /nfs/dbraw/zinc/93/64/90/529936490.db2.gz DDCPYXVLHKQONR-WMZOPIPTSA-N 1 0 315.486 3.310 10 0 DGAERO Fc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1F ZINC000103473729 432010090 /nfs/dbraw/zinc/01/00/90/432010090.db2.gz KMWFYTCGLLCPAV-ZDUSSCGKSA-N 1 0 303.356 3.294 10 0 DGAERO O=C(c1cccc(Cl)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529220 185483002 /nfs/dbraw/zinc/48/30/02/185483002.db2.gz CIVDVKVXSHPPCH-INIZCTEOSA-N 1 0 306.837 3.431 10 0 DGAERO O=C(Cc1ccc(Cl)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107525892 185483132 /nfs/dbraw/zinc/48/31/32/185483132.db2.gz DSEJVBTWACXLGA-KRWDZBQOSA-N 1 0 320.864 3.359 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(Cl)n1)c1ccc2c(c1)OCCO2 ZINC000181733739 199345417 /nfs/dbraw/zinc/34/54/17/199345417.db2.gz VUCHJNYNXHRVCV-LLVKDONJSA-N 1 0 304.777 3.357 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(Cl)n1)c1ccc2c(c1)OCCO2 ZINC000181733716 199345905 /nfs/dbraw/zinc/34/59/05/199345905.db2.gz VUCHJNYNXHRVCV-NSHDSACASA-N 1 0 304.777 3.357 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](CNc2ncc(Br)cc2Cl)C1 ZINC000227674697 201802471 /nfs/dbraw/zinc/80/24/71/201802471.db2.gz CFVGKTKTFRKSCT-WCBMZHEXSA-N 1 0 318.646 3.427 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc2cc(Cl)ccc2o1 ZINC000181781024 199352022 /nfs/dbraw/zinc/35/20/22/199352022.db2.gz CIHLYHSZPBTTDZ-ZWNOBZJWSA-N 1 0 306.793 3.358 10 0 DGAERO CCC[N@H+](Cc1cncnc1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000130117921 432015245 /nfs/dbraw/zinc/01/52/45/432015245.db2.gz SHULOYGNHDTDTJ-SJORKVTESA-N 1 0 303.450 3.426 10 0 DGAERO CCCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CCC1 ZINC000130114800 432015290 /nfs/dbraw/zinc/01/52/90/432015290.db2.gz NITFCTBQPYKOAJ-JKSUJKDBSA-N 1 0 309.498 3.329 10 0 DGAERO c1coc([C@H](C[NH2+]Cc2ccc3c[nH]nc3c2)N2CCCC2)c1 ZINC000236663896 201953471 /nfs/dbraw/zinc/95/34/71/201953471.db2.gz VSWSDPXLIZQGLD-KRWDZBQOSA-N 1 0 310.401 3.083 10 0 DGAERO c1ccc2c(c1)cccc2C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106071115 432019979 /nfs/dbraw/zinc/01/99/79/432019979.db2.gz UGPILGXZRDOXEJ-UHFFFAOYSA-N 1 0 318.424 3.342 10 0 DGAERO C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)CC1CCCC1 ZINC000106160652 432020124 /nfs/dbraw/zinc/02/01/24/432020124.db2.gz AZXWRQRWCIHULQ-INIZCTEOSA-N 1 0 308.491 3.243 10 0 DGAERO CC[C@@H](c1ccccc1)[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000106071912 432020317 /nfs/dbraw/zinc/02/03/17/432020317.db2.gz UTBLWOJWGIEKSB-SFHVURJKSA-N 1 0 310.445 3.448 10 0 DGAERO CCCCSCCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130387836 432022909 /nfs/dbraw/zinc/02/29/09/432022909.db2.gz DDYVLOKFKJJWFW-UHFFFAOYSA-N 1 0 300.512 3.146 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1Cl ZINC000084061529 192398686 /nfs/dbraw/zinc/39/86/86/192398686.db2.gz VGLKQUMSZIXLIL-GXSJLCMTSA-N 1 0 301.217 3.265 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Cl)cc1Cl ZINC000084061548 192398742 /nfs/dbraw/zinc/39/87/42/192398742.db2.gz HHGBKFGFWBTRRA-ONGXEEELSA-N 1 0 301.217 3.265 10 0 DGAERO Cc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106901511 432024076 /nfs/dbraw/zinc/02/40/76/432024076.db2.gz YVUSEOLLVDUUDK-IBGZPJMESA-N 1 0 310.441 3.126 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cncc(-c2ccccc2)c1 ZINC000150727282 186060845 /nfs/dbraw/zinc/06/08/45/186060845.db2.gz JKOKNQKLNGQAGU-IBGZPJMESA-N 1 0 323.440 3.305 10 0 DGAERO Cc1ccc(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000150739092 186062261 /nfs/dbraw/zinc/06/22/61/186062261.db2.gz QWAVIGCXLWFHCP-OAHLLOKOSA-N 1 0 306.475 3.076 10 0 DGAERO CSc1ccsc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000152565257 186085490 /nfs/dbraw/zinc/08/54/90/186085490.db2.gz GWTZWVAKWZQRRI-LLVKDONJSA-N 1 0 300.493 3.176 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000173306719 186174603 /nfs/dbraw/zinc/17/46/03/186174603.db2.gz YSNNCPGPDISOCT-QWHCGFSZSA-N 1 0 316.367 3.077 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000164261942 186153689 /nfs/dbraw/zinc/15/36/89/186153689.db2.gz ANUQWNNBCNNMQC-BXKDBHETSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cccnc1 ZINC000173343652 186179052 /nfs/dbraw/zinc/17/90/52/186179052.db2.gz ZMYLZHBSMSJKAR-IMJJTQAJSA-N 1 0 319.449 3.426 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)s1 ZINC000177910791 186202719 /nfs/dbraw/zinc/20/27/19/186202719.db2.gz ZIYUJDDTZUNOGR-NSHDSACASA-N 1 0 313.430 3.191 10 0 DGAERO Cc1ccc(CN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000106916987 432025435 /nfs/dbraw/zinc/02/54/35/432025435.db2.gz LMQKHUHENWQZLA-QGZVFWFLSA-N 1 0 316.470 3.188 10 0 DGAERO CC(C)[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(F)c(F)c1 ZINC000181926711 186219874 /nfs/dbraw/zinc/21/98/74/186219874.db2.gz WNANQDMEBUENFA-INIZCTEOSA-N 1 0 322.355 3.275 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+]CCN2CCCC[C@@H]2C)cc1 ZINC000181949340 186221389 /nfs/dbraw/zinc/22/13/89/186221389.db2.gz KMABTACNHIWSOR-GJZGRUSLSA-N 1 0 303.450 3.170 10 0 DGAERO C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000189938239 186252057 /nfs/dbraw/zinc/25/20/57/186252057.db2.gz ZGSFRFIDKQHNSK-MAUKXSAKSA-N 1 0 316.445 3.079 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000130485777 432025612 /nfs/dbraw/zinc/02/56/12/432025612.db2.gz HQGJOOVFNSAKQY-ZBEGNZNMSA-N 1 0 307.340 3.358 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000237449604 186291154 /nfs/dbraw/zinc/29/11/54/186291154.db2.gz MWUZZROBWGDTGC-SUNKGSAMSA-N 1 0 314.351 3.066 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccco2)cc1 ZINC000067127854 432026908 /nfs/dbraw/zinc/02/69/08/432026908.db2.gz BLNLGPBBYXLDTH-AWEZNQCLSA-N 1 0 300.402 3.370 10 0 DGAERO Cc1nnc(C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)s1 ZINC000296059289 186691477 /nfs/dbraw/zinc/69/14/77/186691477.db2.gz GCOQWEUPIFODIT-CABCVRRESA-N 1 0 317.458 3.320 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000182044848 199378061 /nfs/dbraw/zinc/37/80/61/199378061.db2.gz HLXQIDYWYVXHFF-GJZGRUSLSA-N 1 0 314.395 3.434 10 0 DGAERO c1cnnc(NC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)c1 ZINC000172289919 198071296 /nfs/dbraw/zinc/07/12/96/198071296.db2.gz ZMTVBRJUYNNYOA-UHFFFAOYSA-N 1 0 308.429 3.042 10 0 DGAERO Cc1ncsc1CC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000172533458 198111094 /nfs/dbraw/zinc/11/10/94/198111094.db2.gz DMJBFUNGVHCFIQ-XJKSGUPXSA-N 1 0 302.443 3.456 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1cccnc1Cl ZINC000172603590 198123165 /nfs/dbraw/zinc/12/31/65/198123165.db2.gz SKUQDHOONVZNDI-VHSXEESVSA-N 1 0 309.822 3.474 10 0 DGAERO C/C(=C\C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000172618917 198126170 /nfs/dbraw/zinc/12/61/70/198126170.db2.gz SIDLTZKGBMGHLE-RGCHEUQESA-N 1 0 304.409 3.170 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000172624324 198127535 /nfs/dbraw/zinc/12/75/35/198127535.db2.gz NANZCBDVCVPSRL-UHFFFAOYSA-N 1 0 300.402 3.259 10 0 DGAERO COc1c(C)cnc(C[NH+]2CCC(OCC(C)C)CC2)c1C ZINC000067227263 432028981 /nfs/dbraw/zinc/02/89/81/432028981.db2.gz DPRAOUBBEYSJEY-UHFFFAOYSA-N 1 0 306.450 3.344 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)N1CCC(C)CC1 ZINC000072553805 191191752 /nfs/dbraw/zinc/19/17/52/191191752.db2.gz ILCQPRLEUMJGAK-QWHCGFSZSA-N 1 0 310.388 3.262 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000172922394 198167773 /nfs/dbraw/zinc/16/77/73/198167773.db2.gz GWQZUFNXTMXJFD-AWEZNQCLSA-N 1 0 304.463 3.380 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(CSC)cc1 ZINC000067352080 432029499 /nfs/dbraw/zinc/02/94/99/432029499.db2.gz IAYSSDJUQDEKCE-ZDUSSCGKSA-N 1 0 309.479 3.401 10 0 DGAERO c1ccc(CC[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000067442865 432030462 /nfs/dbraw/zinc/03/04/62/432030462.db2.gz GPHLBQSBAMNFAO-UHFFFAOYSA-N 1 0 306.413 3.151 10 0 DGAERO CSc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)cc1 ZINC000173359528 198206429 /nfs/dbraw/zinc/20/64/29/198206429.db2.gz UWCYHRYMUBKSNA-CQSZACIVSA-N 1 0 314.454 3.489 10 0 DGAERO C[C@H](c1ccc(C(F)(F)F)cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000107368037 432031107 /nfs/dbraw/zinc/03/11/07/432031107.db2.gz HJGKZIPTAWJKSS-IUODEOHRSA-N 1 0 316.367 3.029 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)C[C@H](C)Cc1ccccc1OC ZINC000107345710 432031209 /nfs/dbraw/zinc/03/12/09/432031209.db2.gz QMNZDSBWDOOOAQ-HZPDHXFCSA-N 1 0 320.477 3.110 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000173709578 198243043 /nfs/dbraw/zinc/24/30/43/198243043.db2.gz UFWZHKHMDORJIC-CYBMUJFWSA-N 1 0 317.408 3.281 10 0 DGAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000328652224 282878483 /nfs/dbraw/zinc/87/84/83/282878483.db2.gz WFWWBXDOBCUMTJ-MUQADHOPSA-N 1 0 303.450 3.056 10 0 DGAERO CC[NH+](CC)CCS[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000174030242 198283422 /nfs/dbraw/zinc/28/34/22/198283422.db2.gz OODBIBYFDINZHW-LSDHHAIUSA-N 1 0 308.491 3.327 10 0 DGAERO COCC[C@@](C)(O)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182083728 199384872 /nfs/dbraw/zinc/38/48/72/199384872.db2.gz YUCCJJMXABWFMX-JKSUJKDBSA-N 1 0 301.377 3.039 10 0 DGAERO CSc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000174223058 198308451 /nfs/dbraw/zinc/30/84/51/198308451.db2.gz DCNKHVZIYLSQES-JSGCOSHPSA-N 1 0 307.463 3.355 10 0 DGAERO CCc1cnc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000174236930 198308741 /nfs/dbraw/zinc/30/87/41/198308741.db2.gz RTYWRHVHUOPDFO-CQSZACIVSA-N 1 0 318.446 3.130 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000174362220 198324430 /nfs/dbraw/zinc/32/44/30/198324430.db2.gz UVJXLSBACGEISL-RISCZKNCSA-N 1 0 322.478 3.215 10 0 DGAERO Cc1cc(C)c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000174431521 198333676 /nfs/dbraw/zinc/33/36/76/198333676.db2.gz IXKJKPAARSNINU-IAGOWNOFSA-N 1 0 317.477 3.236 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2ccccc2cc1O ZINC000174535920 198349111 /nfs/dbraw/zinc/34/91/11/198349111.db2.gz WJMGEGSBGDBTTM-MRXNPFEDSA-N 1 0 312.413 3.102 10 0 DGAERO O[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000182170044 199397428 /nfs/dbraw/zinc/39/74/28/199397428.db2.gz JIVRYICZRCMIOB-LSDHHAIUSA-N 1 0 301.352 3.254 10 0 DGAERO CCOC(=O)N(CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000004216158 181085395 /nfs/dbraw/zinc/08/53/95/181085395.db2.gz NBODAQXRWMHEBP-UHFFFAOYSA-N 1 0 304.312 3.230 10 0 in-man DGAERO C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179063814 432038133 /nfs/dbraw/zinc/03/81/33/432038133.db2.gz GZONDLAXGODNSM-LRDDRELGSA-N 1 0 314.360 3.157 10 0 DGAERO CCCN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000179462045 283012661 /nfs/dbraw/zinc/01/26/61/283012661.db2.gz MDRLUARTXYQZKH-DLBZAZTESA-N 1 0 301.434 3.016 10 0 DGAERO CCC[NH2+]CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000236806119 202019409 /nfs/dbraw/zinc/01/94/09/202019409.db2.gz CUVCZWQSNVYGSP-RYUDHWBXSA-N 1 0 315.244 3.213 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000107827232 432042965 /nfs/dbraw/zinc/04/29/65/432042965.db2.gz QFNRAKRPJDUPNQ-HZPDHXFCSA-N 1 0 319.449 3.309 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc2ncccc21 ZINC000073418241 191315122 /nfs/dbraw/zinc/31/51/22/191315122.db2.gz ROHULGBKYCLLKV-OAHLLOKOSA-N 1 0 311.429 3.229 10 0 DGAERO CC1(C)CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000073539184 191326380 /nfs/dbraw/zinc/32/63/80/191326380.db2.gz RNFGERSCQNGJJE-UHFFFAOYSA-N 1 0 315.461 3.224 10 0 DGAERO CN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000073542142 191326654 /nfs/dbraw/zinc/32/66/54/191326654.db2.gz HOBGGDSYVWYQFJ-UHFFFAOYSA-N 1 0 315.461 3.366 10 0 DGAERO CCc1nc(-c2ccc(F)cc2)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000073685292 191341492 /nfs/dbraw/zinc/34/14/92/191341492.db2.gz OJJNNSUSHJMGJJ-HNNXBMFYSA-N 1 0 314.408 3.317 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000132188511 432046700 /nfs/dbraw/zinc/04/67/00/432046700.db2.gz JKRGDXWIGATXCU-APWZRJJASA-N 1 0 314.473 3.103 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000179190539 432049381 /nfs/dbraw/zinc/04/93/81/432049381.db2.gz WFTILUBPTSPXDO-IIDMSEBBSA-N 1 0 313.445 3.115 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(COC)c2)C1 ZINC000179214287 432050884 /nfs/dbraw/zinc/05/08/84/432050884.db2.gz CAPZSRCGVGJQCM-GOSISDBHSA-N 1 0 313.445 3.429 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(C)c1 ZINC000132527974 432050904 /nfs/dbraw/zinc/05/09/04/432050904.db2.gz KVCIFPMUDKZKDW-HUUCEWRRSA-N 1 0 306.837 3.347 10 0 DGAERO CCOC(=O)[C@@H](C)[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000005325955 181229737 /nfs/dbraw/zinc/22/97/37/181229737.db2.gz XNRDOQIPNIPDIP-OAHLLOKOSA-N 1 0 309.389 3.101 10 0 DGAERO CCc1cc(C)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)o1 ZINC000132761806 432053303 /nfs/dbraw/zinc/05/33/03/432053303.db2.gz BGQVSTOORBZMED-UHFFFAOYSA-N 1 0 318.417 3.256 10 0 DGAERO [NH3+]CC1(CC(=O)N(C[C@@H]2CCCO2)C2CCCC2)CCCCC1 ZINC000184210198 199687700 /nfs/dbraw/zinc/68/77/00/199687700.db2.gz ZVBXDQNWEAZDRE-KRWDZBQOSA-N 1 0 322.493 3.236 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2CCCCCC2)C1 ZINC000459005288 283162305 /nfs/dbraw/zinc/16/23/05/283162305.db2.gz GECAYAKKTJJIQQ-SJORKVTESA-N 1 0 307.482 3.083 10 0 DGAERO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000165998662 432057633 /nfs/dbraw/zinc/05/76/33/432057633.db2.gz XUAOEQTZSFZPDE-WMZOPIPTSA-N 1 0 320.477 3.155 10 0 DGAERO CCCOc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1OCCC ZINC000236852737 202037718 /nfs/dbraw/zinc/03/77/18/202037718.db2.gz ASWLCCNYSBYOBS-GJZGRUSLSA-N 1 0 320.433 3.330 10 0 DGAERO C[C@H](C[NH2+]CCC(=O)NC1CCCCC1)Cc1ccccc1 ZINC000133204364 432059261 /nfs/dbraw/zinc/05/92/61/432059261.db2.gz DMEIKSWOSJKLBB-INIZCTEOSA-N 1 0 302.462 3.294 10 0 DGAERO CCC1(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCC1 ZINC000179471384 432059430 /nfs/dbraw/zinc/05/94/30/432059430.db2.gz LEPMTHMZUNYYMW-JKSUJKDBSA-N 1 0 301.434 3.064 10 0 DGAERO Clc1ccc(/C=C/C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000179489436 432059936 /nfs/dbraw/zinc/05/99/36/432059936.db2.gz CJPCOYGNUGJBKL-VQRJYJFOSA-N 1 0 316.836 3.357 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000236890915 202057011 /nfs/dbraw/zinc/05/70/11/202057011.db2.gz HPTIAYDUTHTZAD-HEHGZKQESA-N 1 0 316.449 3.168 10 0 DGAERO CC(C)N(CCc1nccs1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000133272944 432060448 /nfs/dbraw/zinc/06/04/48/432060448.db2.gz QNOJAMRJYWBZJH-HNNXBMFYSA-N 1 0 323.506 3.187 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(Cl)s1 ZINC000166496084 432060667 /nfs/dbraw/zinc/06/06/67/432060667.db2.gz GFBPHHDENZSKDD-NEPJUHHUSA-N 1 0 324.881 3.455 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236975670 202102933 /nfs/dbraw/zinc/10/29/33/202102933.db2.gz AYTRHNRCXLYFLS-SZMVWBNQSA-N 1 0 300.446 3.264 10 0 DGAERO CCc1ccc([C@H](C)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000236973320 202102970 /nfs/dbraw/zinc/10/29/70/202102970.db2.gz NFTCSNAFBXDHHM-BXEVVDMOSA-N 1 0 300.446 3.094 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)COc1c(C)cccc1C ZINC000237047923 202133596 /nfs/dbraw/zinc/13/35/96/202133596.db2.gz KAQXAYMBSGBKQD-UHFFFAOYSA-N 1 0 312.413 3.430 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)COc1cc(C)ccc1C ZINC000237048064 202134415 /nfs/dbraw/zinc/13/44/15/202134415.db2.gz WMGMOTRPUBHXNM-UHFFFAOYSA-N 1 0 312.413 3.430 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166474816 432061055 /nfs/dbraw/zinc/06/10/55/432061055.db2.gz QRHCURBJYBFFOQ-CRAIPNDOSA-N 1 0 312.461 3.302 10 0 DGAERO C[NH2+]C1CCN(C(=O)C2(c3cccc(C)c3)CCCCC2)CC1 ZINC000237107000 202155638 /nfs/dbraw/zinc/15/56/38/202155638.db2.gz YMBIYMSAIVVSGM-UHFFFAOYSA-N 1 0 314.473 3.407 10 0 DGAERO CCc1ccc(C(C)(C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000237150176 202167139 /nfs/dbraw/zinc/16/71/39/202167139.db2.gz IVMISDAGNBEMCP-WBVHZDCISA-N 1 0 302.462 3.160 10 0 DGAERO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166538825 432061723 /nfs/dbraw/zinc/06/17/23/432061723.db2.gz IBZUPKICJBLBSF-ZIAGYGMSSA-N 1 0 304.463 3.110 10 0 DGAERO C[C@@H]1CCC[C@@H](C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000133381975 432062408 /nfs/dbraw/zinc/06/24/08/432062408.db2.gz WPONGZLQKSQQQS-BRWVUGGUSA-N 1 0 302.466 3.204 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000237165968 202174155 /nfs/dbraw/zinc/17/41/55/202174155.db2.gz XIOLFUYYLMYECV-RBUKOAKNSA-N 1 0 308.425 3.154 10 0 DGAERO C[NH2+][C@H]1CCCN(C(=O)[C@H](Sc2ccccc2)C(C)C)C1 ZINC000133595471 432068283 /nfs/dbraw/zinc/06/82/83/432068283.db2.gz WCJWLIVXTZHVMX-GOEBONIOSA-N 1 0 306.475 3.014 10 0 DGAERO FC(F)COc1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000179729007 432069671 /nfs/dbraw/zinc/06/96/71/432069671.db2.gz XYWVRTPDDFQIQG-UHFFFAOYSA-N 1 0 310.388 3.001 10 0 DGAERO Cc1scc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1C ZINC000179799633 432071102 /nfs/dbraw/zinc/07/11/02/432071102.db2.gz RHRKWUPAYKOVHF-MRXNPFEDSA-N 1 0 316.470 3.268 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)C1CCOCC1 ZINC000179841374 432071762 /nfs/dbraw/zinc/07/17/62/432071762.db2.gz NIJQWJVIZRFDOE-CQSZACIVSA-N 1 0 318.461 3.155 10 0 DGAERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1ccc2c(c1)CCCC(=O)N2 ZINC000179815158 432072202 /nfs/dbraw/zinc/07/22/02/432072202.db2.gz MISKDAGIBAOFRL-PBFPGSCMSA-N 1 0 301.434 3.102 10 0 DGAERO Cc1cc(Cl)cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000134027918 432072707 /nfs/dbraw/zinc/07/27/07/432072707.db2.gz NFFNCMXMNAHNBL-BBRMVZONSA-N 1 0 306.837 3.253 10 0 DGAERO Cc1cc([C@H]2CN(Cc3cnn(C(C)C)c3)CCO2)ccc1F ZINC000179880772 432072777 /nfs/dbraw/zinc/07/27/77/432072777.db2.gz OSVHMCGKKDSAMN-GOSISDBHSA-N 1 0 317.408 3.485 10 0 DGAERO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2ccccc2F)s1 ZINC000179471034 199041138 /nfs/dbraw/zinc/04/11/38/199041138.db2.gz YMIWJGYPNCLRLI-UHFFFAOYSA-N 1 0 321.421 3.094 10 0 DGAERO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)s1 ZINC000179468332 199041265 /nfs/dbraw/zinc/04/12/65/199041265.db2.gz PTUVDCXSTBUJQU-CYBMUJFWSA-N 1 0 304.463 3.474 10 0 DGAERO CCC[C@@H](C(=O)N1CCC(c2cccc(OC)c2)CC1)[NH+](C)C ZINC000179745706 199075408 /nfs/dbraw/zinc/07/54/08/199075408.db2.gz VGKCTLVUEJEYRG-SFHVURJKSA-N 1 0 318.461 3.132 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000184855694 199773870 /nfs/dbraw/zinc/77/38/70/199773870.db2.gz MFNSQQARZRVMTO-ROUUACIJSA-N 1 0 300.446 3.191 10 0 DGAERO Cc1cc(C)n2c(C[N@H+]3Cc4ccccc4C[C@@H]3C)cnc2n1 ZINC000179910286 432074028 /nfs/dbraw/zinc/07/40/28/432074028.db2.gz TUDXKQSMZIYDSA-AWEZNQCLSA-N 1 0 306.413 3.293 10 0 DGAERO Cc1scc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000179917090 199094039 /nfs/dbraw/zinc/09/40/39/199094039.db2.gz GHVOBSIXOLLCKE-OAHLLOKOSA-N 1 0 306.475 3.455 10 0 DGAERO C[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C[C@H]1CCCO1 ZINC000179917747 432074414 /nfs/dbraw/zinc/07/44/14/432074414.db2.gz AHVLREUSNRBAFD-MRXNPFEDSA-N 1 0 305.418 3.253 10 0 DGAERO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000180090817 199115627 /nfs/dbraw/zinc/11/56/27/199115627.db2.gz HTQYBESFLGQICD-CWRNSKLLSA-N 1 0 324.490 3.199 10 0 DGAERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000180107442 199117306 /nfs/dbraw/zinc/11/73/06/199117306.db2.gz RKGJOLJBQHOZHY-VNVJMFPYSA-N 1 0 314.473 3.339 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3C)C2)n1 ZINC000180114959 199119579 /nfs/dbraw/zinc/11/95/79/199119579.db2.gz IVORTTQKLGIADX-MRXNPFEDSA-N 1 0 316.424 3.255 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1F ZINC000180156639 199123856 /nfs/dbraw/zinc/12/38/56/199123856.db2.gz CTEFTKPYYNBXHJ-RHSMWYFYSA-N 1 0 314.408 3.325 10 0 DGAERO C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(Cl)cc1 ZINC000179923918 432074914 /nfs/dbraw/zinc/07/49/14/432074914.db2.gz CYOPRFOWIOYWBQ-WMLDXEAASA-N 1 0 320.864 3.215 10 0 DGAERO Cc1cc(C)c(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000180255528 199137427 /nfs/dbraw/zinc/13/74/27/199137427.db2.gz WTKOYXUXLBUCNG-IAGOWNOFSA-N 1 0 302.462 3.095 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000237373803 202247359 /nfs/dbraw/zinc/24/73/59/202247359.db2.gz DFWUVMWSOUUFOI-GOSISDBHSA-N 1 0 310.397 3.131 10 0 DGAERO Cc1cc2cc([C@H](C)[NH2+][C@@H]3CCc4ncnn4C3)oc2cc1C ZINC000180598087 199182526 /nfs/dbraw/zinc/18/25/26/199182526.db2.gz VIUBQZHRCCCQTE-DZGCQCFKSA-N 1 0 310.401 3.307 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](Cc3cccc4nccn43)C2)n1 ZINC000179962882 432075821 /nfs/dbraw/zinc/07/58/21/432075821.db2.gz QEIVIISRQZKARL-CQSZACIVSA-N 1 0 312.442 3.479 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000180667829 199193415 /nfs/dbraw/zinc/19/34/15/199193415.db2.gz WKIGXVZEKIFQJQ-UZLBHIALSA-N 1 0 321.424 3.127 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000180667797 199193480 /nfs/dbraw/zinc/19/34/80/199193480.db2.gz WKIGXVZEKIFQJQ-OXQOHEQNSA-N 1 0 321.424 3.127 10 0 DGAERO CCCc1cnc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000180845753 199216725 /nfs/dbraw/zinc/21/67/25/199216725.db2.gz LCRZMHIECSZGMP-JSGCOSHPSA-N 1 0 324.494 3.290 10 0 DGAERO C[C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000180041924 432077164 /nfs/dbraw/zinc/07/71/64/432077164.db2.gz GGMKGEUYEUNEBD-KRWDZBQOSA-N 1 0 310.441 3.086 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)ccc1O ZINC000180088493 432077812 /nfs/dbraw/zinc/07/78/12/432077812.db2.gz CYNYTEJMPOFGQM-KRWDZBQOSA-N 1 0 312.413 3.477 10 0 DGAERO CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccc(OC)cc1 ZINC000181180377 199261369 /nfs/dbraw/zinc/26/13/69/199261369.db2.gz RMRJDIAULWYFBB-SJLPKXTDSA-N 1 0 318.461 3.132 10 0 DGAERO CCN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000170749473 432078433 /nfs/dbraw/zinc/07/84/33/432078433.db2.gz IZXRWCINMZAHAU-UHFFFAOYSA-N 1 0 303.450 3.222 10 0 DGAERO COc1cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)ccc1O ZINC000180114227 432078606 /nfs/dbraw/zinc/07/86/06/432078606.db2.gz QZTHIGBKCGEOBU-IEBWSBKVSA-N 1 0 313.397 3.411 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CCN[C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000180145502 432079492 /nfs/dbraw/zinc/07/94/92/432079492.db2.gz RHTYNKCGCXZNFR-IAGOWNOFSA-N 1 0 318.461 3.143 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc2nccn21 ZINC000180135976 432079424 /nfs/dbraw/zinc/07/94/24/432079424.db2.gz PDOSCKHSILURDX-INIZCTEOSA-N 1 0 309.417 3.022 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccc(C)cc1)C1CC1)CC2 ZINC000180168215 432079895 /nfs/dbraw/zinc/07/98/95/432079895.db2.gz SGNIPFYGWUHOAE-QFBILLFUSA-N 1 0 310.445 3.205 10 0 DGAERO Fc1ccc([C@@H]([NH2+][C@@H]2CCc3ncnn3C2)C2CCCC2)cc1 ZINC000180166657 432080148 /nfs/dbraw/zinc/08/01/48/432080148.db2.gz XJRPIKYJNRMDCT-AEFFLSMTSA-N 1 0 314.408 3.253 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)CC2 ZINC000180169735 432080226 /nfs/dbraw/zinc/08/02/26/432080226.db2.gz ZZESLTGSVYLTDV-WMZOPIPTSA-N 1 0 310.445 3.457 10 0 DGAERO COc1cc(C[NH2+]C2CCN(c3cccs3)CC2)ccc1O ZINC000180163562 432080392 /nfs/dbraw/zinc/08/03/92/432080392.db2.gz HMXOZQYGQBTUTL-UHFFFAOYSA-N 1 0 318.442 3.221 10 0 DGAERO CC[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000170827800 432083051 /nfs/dbraw/zinc/08/30/51/432083051.db2.gz IFZJXIBSIFXSBJ-GJZGRUSLSA-N 1 0 309.841 3.137 10 0 DGAERO Cc1noc(CC[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)n1 ZINC000089518059 192807455 /nfs/dbraw/zinc/80/74/55/192807455.db2.gz FDBAZVMIYFXDDB-OAHLLOKOSA-N 1 0 301.390 3.041 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186776373 200008517 /nfs/dbraw/zinc/00/85/17/200008517.db2.gz FRESYHWUMQDKBE-ZANVPECISA-N 1 0 306.793 3.122 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccccc1Oc1ccccc1 ZINC000186836800 200019028 /nfs/dbraw/zinc/01/90/28/200019028.db2.gz JGNMTTJONSYFJC-YOEHRIQHSA-N 1 0 310.397 3.207 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccccc1Oc1ccccc1 ZINC000186836837 200019100 /nfs/dbraw/zinc/01/91/00/200019100.db2.gz JGNMTTJONSYFJC-WMLDXEAASA-N 1 0 310.397 3.207 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000186756094 200005456 /nfs/dbraw/zinc/00/54/56/200005456.db2.gz QCTSQGPWLHBWMO-WMLDXEAASA-N 1 0 318.436 3.142 10 0 DGAERO CC(C)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c2ccccc2n1 ZINC000186765507 200005752 /nfs/dbraw/zinc/00/57/52/200005752.db2.gz JKYNGZQTKWMIAH-SCLBCKFNSA-N 1 0 311.429 3.086 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000186837911 200019952 /nfs/dbraw/zinc/01/99/52/200019952.db2.gz URLLGXWPCIRGTR-KSSFIOAISA-N 1 0 310.397 3.207 10 0 DGAERO COCc1ccsc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000180366209 432084118 /nfs/dbraw/zinc/08/41/18/432084118.db2.gz MVACKKXQPIBKLT-UHFFFAOYSA-N 1 0 304.415 3.208 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000186877542 200025797 /nfs/dbraw/zinc/02/57/97/200025797.db2.gz MTOFXOYEXNIMPX-QMTHXVAHSA-N 1 0 315.244 3.040 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2C[C@H]2C(C)C)c(OCC[NH+](C)C)c1 ZINC000186879952 200025898 /nfs/dbraw/zinc/02/58/98/200025898.db2.gz YQJDQFXDKCXNMN-GJZGRUSLSA-N 1 0 304.434 3.166 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000186996414 200045280 /nfs/dbraw/zinc/04/52/80/200045280.db2.gz UWDXYMMHVCMMEV-SWLSCSKDSA-N 1 0 323.387 3.499 10 0 DGAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000187377857 200104411 /nfs/dbraw/zinc/10/44/11/200104411.db2.gz CNWQRRABJUWEQE-CQSZACIVSA-N 1 0 321.469 3.024 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1c3ccccc3NC1=O)CC2 ZINC000180382239 432084785 /nfs/dbraw/zinc/08/47/85/432084785.db2.gz BPVAHRXEHREZAO-AEFFLSMTSA-N 1 0 322.408 3.398 10 0 DGAERO CCCCCOc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170863320 432084810 /nfs/dbraw/zinc/08/48/10/432084810.db2.gz BOPWRPOJADFBKI-INIZCTEOSA-N 1 0 304.434 3.032 10 0 DGAERO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000187564977 200128586 /nfs/dbraw/zinc/12/85/86/200128586.db2.gz DTEFKIDFOZDPNN-KSSFIOAISA-N 1 0 315.417 3.282 10 0 DGAERO Cn1ncc(Cl)c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000187440987 200112970 /nfs/dbraw/zinc/11/29/70/200112970.db2.gz BPKOABZIHFAHEJ-PBHICJAKSA-N 1 0 319.836 3.162 10 0 DGAERO Brc1cncc(N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134778538 432085034 /nfs/dbraw/zinc/08/50/34/432085034.db2.gz VURRVMMCRMEOER-UHFFFAOYSA-N 1 0 324.266 3.156 10 0 DGAERO C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000237485970 202266603 /nfs/dbraw/zinc/26/66/03/202266603.db2.gz RVADJIWWPCHSOS-XHDPSFHLSA-N 1 0 314.351 3.415 10 0 DGAERO COc1ccccc1C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)C(C)C ZINC000187977486 200185130 /nfs/dbraw/zinc/18/51/30/200185130.db2.gz BSVKSULJNNBGSU-NJAFHUGGSA-N 1 0 305.462 3.403 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)ccc1Cl ZINC000180411379 432085545 /nfs/dbraw/zinc/08/55/45/432085545.db2.gz ZUGUUFSUFAGAAG-HNNXBMFYSA-N 1 0 304.825 3.152 10 0 DGAERO Cc1c(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cccc1OCC(F)(F)F ZINC000237627671 202311448 /nfs/dbraw/zinc/31/14/48/202311448.db2.gz IZFGCOJZMVPMHB-GHMZBOCLSA-N 1 0 316.323 3.002 10 0 DGAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccccc2)o1 ZINC000180422025 432085888 /nfs/dbraw/zinc/08/58/88/432085888.db2.gz CHUMQHACIQJYMJ-KBPBESRZSA-N 1 0 314.385 3.158 10 0 DGAERO Cc1ccccc1C1(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCCCC1 ZINC000237692813 202329548 /nfs/dbraw/zinc/32/95/48/202329548.db2.gz COZAPMLLFNPDJE-IAGOWNOFSA-N 1 0 314.473 3.441 10 0 DGAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000188380505 200236447 /nfs/dbraw/zinc/23/64/47/200236447.db2.gz ZMWNRYXWPDLSGP-PBHICJAKSA-N 1 0 304.434 3.282 10 0 DGAERO O=C(CCCCc1ccc(Cl)c(Cl)c1)N1CC[NH2+]CC1 ZINC000237734917 202341719 /nfs/dbraw/zinc/34/17/19/202341719.db2.gz UWXYKJOABXISJB-UHFFFAOYSA-N 1 0 315.244 3.138 10 0 DGAERO O=C(NCC[C@@H]1CCC[NH2+]C1)C1(c2ccc(F)cc2)CCCC1 ZINC000237735950 202342198 /nfs/dbraw/zinc/34/21/98/202342198.db2.gz JDIZEPGVAPFSRD-HNNXBMFYSA-N 1 0 318.436 3.143 10 0 DGAERO O=C(NCC[NH2+]C1CCCCCC1)C1(c2ccc(F)cc2)CC1 ZINC000237735723 202342542 /nfs/dbraw/zinc/34/25/42/202342542.db2.gz IMVMWPSCEOCTOX-UHFFFAOYSA-N 1 0 318.436 3.286 10 0 DGAERO C[NH2+]CCC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262349262 283503987 /nfs/dbraw/zinc/50/39/87/283503987.db2.gz GFHRNHTVBSXDFX-AWEZNQCLSA-N 1 0 314.351 3.369 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000237895083 202382233 /nfs/dbraw/zinc/38/22/33/202382233.db2.gz GCWZAAMSWSXYBS-WMZOPIPTSA-N 1 0 324.424 3.009 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CCCC1 ZINC000189036459 200339375 /nfs/dbraw/zinc/33/93/75/200339375.db2.gz ZHSYJYTXISGMEE-DYVFJYSZSA-N 1 0 304.409 3.095 10 0 DGAERO COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180485986 432088044 /nfs/dbraw/zinc/08/80/44/432088044.db2.gz RCXSNPOPUVZTEO-MOPGFXCFSA-N 1 0 320.477 3.093 10 0 DGAERO CCOC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)C(C)C ZINC000189343932 200385014 /nfs/dbraw/zinc/38/50/14/200385014.db2.gz BXRLREQQJYWCKW-CXAGYDPISA-N 1 0 322.449 3.365 10 0 DGAERO CS[C@H]1CC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000425364459 237939756 /nfs/dbraw/zinc/93/97/56/237939756.db2.gz XHULPWQGVVDXDN-OLZOCXBDSA-N 1 0 316.264 3.312 10 0 DGAERO Cc1ccccc1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000043479881 283553940 /nfs/dbraw/zinc/55/39/40/283553940.db2.gz RCZJFWZTODXKBG-UHFFFAOYSA-N 1 0 315.461 3.012 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[N@H+](CC1CC1)CC1CCC1 ZINC000430069376 238065114 /nfs/dbraw/zinc/06/51/14/238065114.db2.gz AIXBTKQUJUMVOT-UHFFFAOYSA-N 1 0 310.445 3.339 10 0 DGAERO O=C(C[C@@H]1CCCc2ccccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170980687 432091793 /nfs/dbraw/zinc/09/17/93/432091793.db2.gz PQSYLXPPCZHJPY-ROUUACIJSA-N 1 0 312.457 3.193 10 0 DGAERO CCSc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180581331 432092110 /nfs/dbraw/zinc/09/21/10/432092110.db2.gz HQDJEBWDNBKOFM-OLZOCXBDSA-N 1 0 302.447 3.056 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000223389416 283584615 /nfs/dbraw/zinc/58/46/15/283584615.db2.gz WXBSTUIEVPZEMB-RAIGVLPGSA-N 1 0 310.850 3.121 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1c3ccccc3C[C@H]1C)CC2 ZINC000180636199 432093036 /nfs/dbraw/zinc/09/30/36/432093036.db2.gz ISHRGUAPCGMPRK-SIIHOXLZSA-N 1 0 310.445 3.239 10 0 DGAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191696344 200746123 /nfs/dbraw/zinc/74/61/23/200746123.db2.gz VLYTUXWZBQXFPD-NKWVEPMBSA-N 1 0 312.660 3.271 10 0 DGAERO Cc1ccccc1N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000434838128 238249541 /nfs/dbraw/zinc/24/95/41/238249541.db2.gz XTBYALXMNUFBBG-UHFFFAOYSA-N 1 0 322.412 3.300 10 0 DGAERO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C1(C)C ZINC000435133162 238276385 /nfs/dbraw/zinc/27/63/85/238276385.db2.gz PLUIENTUBKNIBV-WBVHZDCISA-N 1 0 303.406 3.305 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1F ZINC000180636689 432093757 /nfs/dbraw/zinc/09/37/57/432093757.db2.gz FDMPQOIOUSMPHB-RDTXWAMCSA-N 1 0 316.424 3.269 10 0 DGAERO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc(OC)c2)cc1 ZINC000171000280 432094166 /nfs/dbraw/zinc/09/41/66/432094166.db2.gz PJXYLZSEOWHEEK-CQSZACIVSA-N 1 0 312.413 3.248 10 0 DGAERO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(OC)c2)cc1 ZINC000171000279 432094968 /nfs/dbraw/zinc/09/49/68/432094968.db2.gz PJXYLZSEOWHEEK-AWEZNQCLSA-N 1 0 312.413 3.248 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([C@H](C)OC)c2)C1 ZINC000246103307 432095437 /nfs/dbraw/zinc/09/54/37/432095437.db2.gz IFIVOEFGXZHIQR-GJZGRUSLSA-N 1 0 319.449 3.247 10 0 DGAERO COc1ccc([C@H]2CCCCCN2C(=O)CC[C@H](C)[NH3+])cc1 ZINC000193183072 201003378 /nfs/dbraw/zinc/00/33/78/201003378.db2.gz VIAGOVDJKFQWDQ-WMLDXEAASA-N 1 0 304.434 3.266 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000193224863 201009597 /nfs/dbraw/zinc/00/95/97/201009597.db2.gz MKXJCYXFBUNUBI-SECBINFHSA-N 1 0 303.233 3.472 10 0 DGAERO COc1ccc(-c2ccc(CNC(=O)CC[C@@H](C)[NH3+])s2)cc1 ZINC000193283185 201020271 /nfs/dbraw/zinc/02/02/71/201020271.db2.gz RLPWXIZMLIYAOJ-GFCCVEGCSA-N 1 0 318.442 3.167 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000193217152 201008462 /nfs/dbraw/zinc/00/84/62/201008462.db2.gz QPEYKBFWSGZMMT-CYBMUJFWSA-N 1 0 308.853 3.395 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cc(C)ccc2C)o1 ZINC000193601396 201084535 /nfs/dbraw/zinc/08/45/35/201084535.db2.gz XMBSXRXUTCGBLI-CVEARBPZSA-N 1 0 303.402 3.295 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C)cc2C)o1 ZINC000193601528 201084632 /nfs/dbraw/zinc/08/46/32/201084632.db2.gz OFDPMSZHHUZVGF-CVEARBPZSA-N 1 0 303.402 3.295 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccc1COc1ccccc1 ZINC000193612219 201085452 /nfs/dbraw/zinc/08/54/52/201085452.db2.gz VCUOPVLMXXSCJN-HNAYVOBHSA-N 1 0 324.424 3.136 10 0 DGAERO Cc1cnn(C[C@H]2C[N@H+](CC[C@@H](C)c3ccccc3)CCO2)c1 ZINC000193913807 201142831 /nfs/dbraw/zinc/14/28/31/201142831.db2.gz KBECAKAICOIZRQ-IEBWSBKVSA-N 1 0 313.445 3.086 10 0 DGAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1cccc2ccccc21 ZINC000194184474 201192281 /nfs/dbraw/zinc/19/22/81/201192281.db2.gz PVTATTJOJCFKBV-UHFFFAOYSA-N 1 0 304.393 3.441 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2cnc(-c3ccco3)s2)CC[N@@H+]1C ZINC000194412812 201221733 /nfs/dbraw/zinc/22/17/33/201221733.db2.gz DEKLYUMNEPOZNT-CHWSQXEVSA-N 1 0 305.447 3.318 10 0 DGAERO Fc1ccc(C2([NH2+]C[C@H]3CCC=CO3)CCOCC2)c(F)c1 ZINC000194534483 201247236 /nfs/dbraw/zinc/24/72/36/201247236.db2.gz XLDCCIBDFAHWGY-CQSZACIVSA-N 1 0 309.356 3.253 10 0 DGAERO c1coc(-c2cc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)no2)c1 ZINC000441234110 239026661 /nfs/dbraw/zinc/02/66/61/239026661.db2.gz VENMMSMKYUMWCZ-KBPBESRZSA-N 1 0 302.374 3.183 10 0 DGAERO Cc1nc(-c2ccc(C(=O)NCCCC[NH+](C)C)cc2)cs1 ZINC000442711017 239113433 /nfs/dbraw/zinc/11/34/33/239113433.db2.gz GISNCELRBOVXJQ-UHFFFAOYSA-N 1 0 317.458 3.190 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)Nc1ncncc1Br ZINC000090780781 192932989 /nfs/dbraw/zinc/93/29/89/192932989.db2.gz GMMGWNDCHOXJBP-LLVKDONJSA-N 1 0 315.259 3.162 10 0 DGAERO CC(C)=CCN1Cc2cc(Cl)cc3[nH]c(=O)n(c32)C[C@H]1C ZINC000006488690 181344940 /nfs/dbraw/zinc/34/49/40/181344940.db2.gz FRCNLKVXRALXMC-LLVKDONJSA-N 1 0 305.809 3.153 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000443235483 239185519 /nfs/dbraw/zinc/18/55/19/239185519.db2.gz CHHCIKZSIOXILD-HZPDHXFCSA-N 1 0 319.493 3.374 10 0 DGAERO OC[C@@H](C[NH2+]Cc1cnc(C(F)(F)F)s1)c1ccccc1 ZINC000443995892 239248332 /nfs/dbraw/zinc/24/83/32/239248332.db2.gz RZGBXHDATRKDBW-LLVKDONJSA-N 1 0 316.348 3.028 10 0 DGAERO Cc1ccc(CC[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000195279215 201372652 /nfs/dbraw/zinc/37/26/52/201372652.db2.gz DKBMEPIPDSHVBK-NRFANRHFSA-N 1 0 323.484 3.386 10 0 DGAERO FC(F)(F)c1ncc(C[NH2+]CCCc2ccccn2)s1 ZINC000443997495 239247384 /nfs/dbraw/zinc/24/73/84/239247384.db2.gz RGOIAALAICNLIW-UHFFFAOYSA-N 1 0 301.337 3.279 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000171074029 432100499 /nfs/dbraw/zinc/10/04/99/432100499.db2.gz PGJGJKDPLSJUOM-OAHLLOKOSA-N 1 0 309.413 3.106 10 0 DGAERO O=C(C[N@@H+]1CCCC12CCC2)NCCCSc1ccccc1 ZINC000444790474 239358326 /nfs/dbraw/zinc/35/83/26/239358326.db2.gz JAHDWRLRDWQLEO-UHFFFAOYSA-N 1 0 318.486 3.304 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC12CCC2 ZINC000444847256 239364018 /nfs/dbraw/zinc/36/40/18/239364018.db2.gz JAROAJCYSVQKAT-INIZCTEOSA-N 1 0 307.482 3.369 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)Cc2cccs2)cc1 ZINC000071270627 283742355 /nfs/dbraw/zinc/74/23/55/283742355.db2.gz SLBLRDCUWPHQNF-GJZGRUSLSA-N 1 0 305.443 3.017 10 0 DGAERO CC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccc(F)cc1F ZINC000246728790 202614171 /nfs/dbraw/zinc/61/41/71/202614171.db2.gz ONRAAUXJSBJCHB-UQCMEYCASA-N 1 0 322.399 3.453 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000072850347 283761674 /nfs/dbraw/zinc/76/16/74/283761674.db2.gz UGJPGRKAQJSYDV-UONOGXRCSA-N 1 0 320.399 3.344 10 0 DGAERO Cc1[nH+]c2c(n1[C@@H]1CCN(c3nc4ccccc4[nH]3)C1)CCCC2 ZINC000275523428 212392891 /nfs/dbraw/zinc/39/28/91/212392891.db2.gz YGHQNHNASXEYOJ-CQSZACIVSA-N 1 0 321.428 3.398 10 0 DGAERO C[C@H](Cc1ccccc1)[NH+]1CCC(NCc2nccs2)CC1 ZINC000449084559 240008720 /nfs/dbraw/zinc/00/87/20/240008720.db2.gz IANCNPQYDKEKOO-OAHLLOKOSA-N 1 0 315.486 3.328 10 0 DGAERO C[C@@H](C[NH2+]Cc1cc(Cl)sc1Cl)CN1CCOCC1 ZINC000449164506 240046204 /nfs/dbraw/zinc/04/62/04/240046204.db2.gz QFMFNDDLHHUOSS-JTQLQIEISA-N 1 0 323.289 3.113 10 0 DGAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000275418565 212320821 /nfs/dbraw/zinc/32/08/21/212320821.db2.gz DNNGFTKREVNAFH-GJZGRUSLSA-N 1 0 323.799 3.223 10 0 DGAERO OCCC1([NH2+]Cc2cccc(F)c2Br)CCCC1 ZINC000449316631 240127910 /nfs/dbraw/zinc/12/79/10/240127910.db2.gz OOOBECUADBOZAQ-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO c1nc([C@H]2CCCO2)sc1C[NH2+]CCCC1CCOCC1 ZINC000449354562 240151810 /nfs/dbraw/zinc/15/18/10/240151810.db2.gz PABXMUZMPQHMGA-OAHLLOKOSA-N 1 0 310.463 3.291 10 0 DGAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)Cc1c(OC)cc(OC)cc1OC ZINC000449469881 240224396 /nfs/dbraw/zinc/22/43/96/240224396.db2.gz VNUAMYDZMZAZDC-WOSRLPQWSA-N 1 0 307.434 3.422 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)o2)n[nH]1 ZINC000449481781 240233946 /nfs/dbraw/zinc/23/39/46/240233946.db2.gz VRSBDBXUWLQSJZ-CYBMUJFWSA-N 1 0 301.390 3.109 10 0 DGAERO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000449577218 240298594 /nfs/dbraw/zinc/29/85/94/240298594.db2.gz DJCCWXGMJAQAKW-CABCVRRESA-N 1 0 302.443 3.451 10 0 DGAERO OC[C@H]([C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C1CC1)C1CC1 ZINC000449503110 240251623 /nfs/dbraw/zinc/25/16/23/240251623.db2.gz HLHXWMPVXDSCCO-SOTJZCEJSA-N 1 0 303.421 3.458 10 0 DGAERO COc1ccc2oc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)cc2c1 ZINC000246196673 432105857 /nfs/dbraw/zinc/10/58/57/432105857.db2.gz LPVUTJCCUKMZPY-NVXWUHKLSA-N 1 0 319.426 3.148 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000449730633 240388015 /nfs/dbraw/zinc/38/80/15/240388015.db2.gz FQUUCZXMZORCSD-QGZVFWFLSA-N 1 0 307.459 3.423 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CCC1 ZINC000449738294 240391064 /nfs/dbraw/zinc/39/10/64/240391064.db2.gz ATZNHONPTWXRPN-CZUORRHYSA-N 1 0 324.262 3.057 10 0 DGAERO Cc1cc(CN2CCCC[C@H]2[C@@H](C)[NH3+])ccc1Br ZINC000091472077 193061655 /nfs/dbraw/zinc/06/16/55/193061655.db2.gz GFVFSTMQPZVZKE-DOMZBBRYSA-N 1 0 311.267 3.459 10 0 DGAERO Cc1cc(CN2CCCC[C@H]2CC[NH3+])ccc1Br ZINC000091472121 193061736 /nfs/dbraw/zinc/06/17/36/193061736.db2.gz LWFVLDBCPCCVEI-AWEZNQCLSA-N 1 0 311.267 3.461 10 0 DGAERO Cc1cc2ncc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c(C)n2n1 ZINC000091727450 193098041 /nfs/dbraw/zinc/09/80/41/193098041.db2.gz IYLSKQKNULCBCP-RDTXWAMCSA-N 1 0 318.465 3.184 10 0 DGAERO Fc1ccc(OCC[NH+]2CCC(c3cc[nH]n3)CC2)c(Cl)c1 ZINC000091739831 193099759 /nfs/dbraw/zinc/09/97/59/193099759.db2.gz IMGWGQPNUSFQIF-UHFFFAOYSA-N 1 0 323.799 3.461 10 0 DGAERO CC(C)(C)C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000091859039 193119547 /nfs/dbraw/zinc/11/95/47/193119547.db2.gz RVZAQGSISMXDPX-UHFFFAOYSA-N 1 0 309.841 3.432 10 0 DGAERO COc1ccccc1NC(=O)C1CC[NH+](CC(C)(C)C)CC1 ZINC000091919011 193126899 /nfs/dbraw/zinc/12/68/99/193126899.db2.gz DXLOOBADURGKFS-UHFFFAOYSA-N 1 0 304.434 3.392 10 0 DGAERO CC(=O)[C@](C)(O)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451155394 241027268 /nfs/dbraw/zinc/02/72/68/241027268.db2.gz AYCAOMRAZMUNFB-HXUWFJFHSA-N 1 0 309.409 3.052 10 0 DGAERO CC(C)[C@@H]([NH2+]Cc1noc(-c2ccccc2)n1)[C@@H](CO)C(C)C ZINC000451612353 241188019 /nfs/dbraw/zinc/18/80/19/241188019.db2.gz MINMXTDVPGUOLV-DOTOQJQBSA-N 1 0 317.433 3.115 10 0 DGAERO c1ncn(Cc2ccccc2)c1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451654559 241200444 /nfs/dbraw/zinc/20/04/44/241200444.db2.gz OTMYFMGXBKIDNQ-SFHVURJKSA-N 1 0 313.470 3.259 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1F ZINC000246226635 432109011 /nfs/dbraw/zinc/10/90/11/432109011.db2.gz MAVBHXCPEWWKSN-ZBFHGGJFSA-N 1 0 319.424 3.075 10 0 DGAERO C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)[C@@H]1C=CCCC1 ZINC000246221323 432109585 /nfs/dbraw/zinc/10/95/85/432109585.db2.gz DNHVJCUFYITLBL-CVEARBPZSA-N 1 0 306.475 3.162 10 0 DGAERO COCc1ccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)cc1 ZINC000246232381 432110212 /nfs/dbraw/zinc/11/02/12/432110212.db2.gz ROXIZKIYZMNNMC-KSZLIROESA-N 1 0 317.429 3.139 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C/C=C/c1ccc(F)cc1 ZINC000081592176 283921671 /nfs/dbraw/zinc/92/16/71/283921671.db2.gz DMWPZSYIEUSJKW-RTRPANQVSA-N 1 0 306.425 3.322 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CCC2CC2)cc1 ZINC000135286240 432110686 /nfs/dbraw/zinc/11/06/86/432110686.db2.gz YNMNBAYYYGFEGA-GOSISDBHSA-N 1 0 316.445 3.091 10 0 DGAERO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000268621058 432112064 /nfs/dbraw/zinc/11/20/64/432112064.db2.gz YCSLTOQLILYCKD-QGZVFWFLSA-N 1 0 324.424 3.047 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000246274492 432114899 /nfs/dbraw/zinc/11/48/99/432114899.db2.gz AVTFKRJOACOROF-SUMWQHHRSA-N 1 0 301.434 3.026 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3coc4ccccc34)[C@@H]2C1 ZINC000092095718 193156124 /nfs/dbraw/zinc/15/61/24/193156124.db2.gz IASSYSOZXYGVMX-KYJSFNMBSA-N 1 0 301.386 3.201 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)c1cccc(OC)c1F)CC(C)C ZINC000090614561 283993622 /nfs/dbraw/zinc/99/36/22/283993622.db2.gz LJSZCAJWFROHER-AWEZNQCLSA-N 1 0 324.440 3.321 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000091553534 284001658 /nfs/dbraw/zinc/00/16/58/284001658.db2.gz ABXNNXXLYYAYRK-GOSISDBHSA-N 1 0 301.409 3.386 10 0 DGAERO Cc1ccc(S(=O)(=O)CCC[N@@H+]2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000091588123 284002032 /nfs/dbraw/zinc/00/20/32/284002032.db2.gz UIGSNQWJZBODAH-HOTGVXAUSA-N 1 0 309.475 3.279 10 0 DGAERO OC1CC(C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000091426572 284000966 /nfs/dbraw/zinc/00/09/66/284000966.db2.gz JQTDPTPXOZIYQR-UHFFFAOYSA-N 1 0 310.235 3.056 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2Cl)C(C)C)C1 ZINC000091378180 284001048 /nfs/dbraw/zinc/00/10/48/284001048.db2.gz TVZOLMHXFGNEMA-CJNGLKHVSA-N 1 0 323.868 3.431 10 0 DGAERO CCC(CC)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103296738 284028035 /nfs/dbraw/zinc/02/80/35/284028035.db2.gz GUXDHENMEBWHHQ-MRXNPFEDSA-N 1 0 309.498 3.473 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccc(Cl)cc1 ZINC000250894221 202823016 /nfs/dbraw/zinc/82/30/16/202823016.db2.gz HZXCIEGBAQHGMB-ZCDTZLGTSA-N 1 0 306.837 3.438 10 0 DGAERO O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250909323 202823894 /nfs/dbraw/zinc/82/38/94/202823894.db2.gz WQISGZCLLOKVAJ-DFBGVHRSSA-N 1 0 310.800 3.016 10 0 DGAERO CCn1nncc1CN(Cc1cccc(F)c1)C1CCCC1 ZINC000459345011 243341505 /nfs/dbraw/zinc/34/15/05/243341505.db2.gz CGRPZXMITTXZJQ-UHFFFAOYSA-N 1 0 302.397 3.382 10 0 DGAERO CCOc1cc(C[NH2+][C@@H](COC)c2ccc(F)cc2)ccc1O ZINC000459427991 243365928 /nfs/dbraw/zinc/36/59/28/243365928.db2.gz VNRSMMKQVMVBRB-INIZCTEOSA-N 1 0 319.376 3.407 10 0 DGAERO Cc1ncc(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)o1 ZINC000459674747 243455913 /nfs/dbraw/zinc/45/59/13/243455913.db2.gz LDOHMCONAPMWKC-IRXDYDNUSA-N 1 0 300.402 3.457 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000112003182 284083786 /nfs/dbraw/zinc/08/37/86/284083786.db2.gz QRXFFPHGZCXFPT-MRXNPFEDSA-N 1 0 323.440 3.177 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)Cc1ccccc1 ZINC000112043494 284084167 /nfs/dbraw/zinc/08/41/67/284084167.db2.gz ISWIPTQLHJGOFG-SJORKVTESA-N 1 0 304.478 3.492 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000112043366 284084532 /nfs/dbraw/zinc/08/45/32/284084532.db2.gz INCXUPORTMISDE-OAHLLOKOSA-N 1 0 302.462 3.244 10 0 DGAERO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cncs2)CC1 ZINC000092965252 193189971 /nfs/dbraw/zinc/18/99/71/193189971.db2.gz HNMYRSZNRXALDP-UHFFFAOYSA-N 1 0 319.405 3.133 10 0 DGAERO Cc1cc(C)c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)c1 ZINC000246318411 432118768 /nfs/dbraw/zinc/11/87/68/432118768.db2.gz AIDQSYUBGQOEMF-HZPDHXFCSA-N 1 0 301.434 3.312 10 0 DGAERO CCC1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000246309317 432118942 /nfs/dbraw/zinc/11/89/42/432118942.db2.gz BAVGZOAERHVGQV-VXLLPVPCSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000261563726 203077651 /nfs/dbraw/zinc/07/76/51/203077651.db2.gz XGQGXQCRNHYCCV-BEFAXECRSA-N 1 0 324.424 3.075 10 0 DGAERO CSCCC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000171272037 432119250 /nfs/dbraw/zinc/11/92/50/432119250.db2.gz ZLQFTBHXCQWJNK-UHFFFAOYSA-N 1 0 320.502 3.288 10 0 DGAERO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470950741 244195345 /nfs/dbraw/zinc/19/53/45/244195345.db2.gz VJSDQGYAEZWEQO-MJBXVCDLSA-N 1 0 317.351 3.007 10 0 DGAERO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470950739 244197407 /nfs/dbraw/zinc/19/74/07/244197407.db2.gz VJSDQGYAEZWEQO-MCIONIFRSA-N 1 0 317.351 3.007 10 0 DGAERO Cc1ccc(-c2ccc(C[N@@H+]3CCNC(=O)CC3)s2)cc1 ZINC000093101835 193203514 /nfs/dbraw/zinc/20/35/14/193203514.db2.gz OEMKJWDIFMEQCB-UHFFFAOYSA-N 1 0 300.427 3.045 10 0 DGAERO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119021670 284132266 /nfs/dbraw/zinc/13/22/66/284132266.db2.gz YUTUDWROYBJRHC-IAGOWNOFSA-N 1 0 302.462 3.292 10 0 DGAERO CCO[C@H](CC(=O)N1CCC(C[NH+](CC)CC)CC1)C(C)C ZINC000471769782 244244195 /nfs/dbraw/zinc/24/41/95/244244195.db2.gz LIFQKFRBSSXIQI-QGZVFWFLSA-N 1 0 312.498 3.018 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000246328957 432119921 /nfs/dbraw/zinc/11/99/21/432119921.db2.gz UDLVYCCWWCWBBL-PKOBYXMFSA-N 1 0 316.489 3.425 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472367289 244302532 /nfs/dbraw/zinc/30/25/32/244302532.db2.gz HUPIHLRIARIXIM-QXAKKESOSA-N 1 0 314.473 3.341 10 0 DGAERO Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262326608 203262872 /nfs/dbraw/zinc/26/28/72/203262872.db2.gz DKYBMDDITHFUDT-BQFCYCMXSA-N 1 0 300.446 3.355 10 0 DGAERO Cc1sccc1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000293336826 223494642 /nfs/dbraw/zinc/49/46/42/223494642.db2.gz RZSSKQVIMOGPEI-CYBMUJFWSA-N 1 0 310.463 3.403 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000474272699 244381795 /nfs/dbraw/zinc/38/17/95/244381795.db2.gz IZFYSPNLLBIIAX-UHFFFAOYSA-N 1 0 324.852 3.262 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000474333597 244389571 /nfs/dbraw/zinc/38/95/71/244389571.db2.gz UQQMCRAXBQSADR-IPMKNSEASA-N 1 0 314.473 3.388 10 0 DGAERO C[C@@H]1C[C@H]1c1ccc(CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)o1 ZINC000262473288 203304199 /nfs/dbraw/zinc/30/41/99/203304199.db2.gz XBRFPFPGMGCBQU-XJIUQZFPSA-N 1 0 316.445 3.282 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(C2CCCC2)s1 ZINC000093437368 193251154 /nfs/dbraw/zinc/25/11/54/193251154.db2.gz JTOFVGAIFZBXJJ-UKRRQHHQSA-N 1 0 305.491 3.469 10 0 DGAERO COCCOc1cccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438008 193252149 /nfs/dbraw/zinc/25/21/49/193252149.db2.gz RJWSLXYPOCMXOM-SFHVURJKSA-N 1 0 315.417 3.162 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](Oc3cccnc3)C2)o1 ZINC000093690731 193289311 /nfs/dbraw/zinc/28/93/11/193289311.db2.gz INVHSZCNPHXXGI-INIZCTEOSA-N 1 0 324.384 3.026 10 0 DGAERO CCc1nn(C)c(CC)c1C[N@H+](CC)CCc1nccs1 ZINC000093764752 193300897 /nfs/dbraw/zinc/30/08/97/193300897.db2.gz NCDSIKQJVRYEOR-UHFFFAOYSA-N 1 0 306.479 3.066 10 0 DGAERO COc1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1OC ZINC000093807305 193310870 /nfs/dbraw/zinc/31/08/70/193310870.db2.gz ABDIKZKZTLBEOF-UHFFFAOYSA-N 1 0 306.431 3.143 10 0 DGAERO COc1ccc2oc(C[N@H+](C)[C@H]3CCN(C)[C@H](C)C3)cc2c1 ZINC000093645097 193281206 /nfs/dbraw/zinc/28/12/06/193281206.db2.gz QJFWBYFTEOOWHS-HIFRSBDPSA-N 1 0 302.418 3.356 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000093643795 193281701 /nfs/dbraw/zinc/28/17/01/193281701.db2.gz GZFRBYJSOOXAEN-YPMHNXCESA-N 1 0 316.367 3.342 10 0 DGAERO Cn1nc(-c2ccccc2)c(C[N@H+](C)C[C@@H]2CCOC2)c1Cl ZINC000093840323 193316037 /nfs/dbraw/zinc/31/60/37/193316037.db2.gz VKHLDRMRNAITIF-ZDUSSCGKSA-N 1 0 319.836 3.209 10 0 DGAERO CCSCC[C@H](C)[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000093870965 193321712 /nfs/dbraw/zinc/32/17/12/193321712.db2.gz CPFGIPWMVKGCQN-ZDUSSCGKSA-N 1 0 306.479 3.310 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000093966276 193332199 /nfs/dbraw/zinc/33/21/99/193332199.db2.gz QVETYFWVGNAMRE-KRWDZBQOSA-N 1 0 321.490 3.425 10 0 DGAERO CCOc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC000120795878 284178444 /nfs/dbraw/zinc/17/84/44/284178444.db2.gz SYJAWRSTJJNIFN-YOEHRIQHSA-N 1 0 319.449 3.244 10 0 DGAERO CCC[C@@H](C(=O)N1CCC(C)(c2ccccc2)CC1)[NH+](C)C ZINC000121446954 284197486 /nfs/dbraw/zinc/19/74/86/284197486.db2.gz JVNXUXPDRCVXJU-KRWDZBQOSA-N 1 0 302.462 3.297 10 0 DGAERO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246338566 432121898 /nfs/dbraw/zinc/12/18/98/432121898.db2.gz KXMPZFSDXMTBMX-YESZJQIVSA-N 1 0 318.848 3.140 10 0 DGAERO c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000181285281 432122078 /nfs/dbraw/zinc/12/20/78/432122078.db2.gz BMCMASWIWZASCG-QGZVFWFLSA-N 1 0 319.412 3.246 10 0 DGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000487280147 245042253 /nfs/dbraw/zinc/04/22/53/245042253.db2.gz QWLBUUWDTBANOI-DGCLKSJQSA-N 1 0 312.255 3.241 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCSC2)cc(COC2CCOCC2)c1 ZINC000487305781 245046427 /nfs/dbraw/zinc/04/64/27/245046427.db2.gz NEMRRJIFKIDKCP-QGZVFWFLSA-N 1 0 321.486 3.225 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1SCCc2ccccc21 ZINC000487859718 245114409 /nfs/dbraw/zinc/11/44/09/245114409.db2.gz OTJFEKBZCCGQEH-DLBZAZTESA-N 1 0 318.486 3.008 10 0 DGAERO C[C@H](Cc1ccncc1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000487885484 245118193 /nfs/dbraw/zinc/11/81/93/245118193.db2.gz YPIDGYKKQRLKSJ-MRXNPFEDSA-N 1 0 323.440 3.038 10 0 DGAERO C[C@@H](Cc1ccncc1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000487885483 245118713 /nfs/dbraw/zinc/11/87/13/245118713.db2.gz YPIDGYKKQRLKSJ-INIZCTEOSA-N 1 0 323.440 3.038 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCCC2(C)C)[C@H](C)C1 ZINC000246366034 432122812 /nfs/dbraw/zinc/12/28/12/432122812.db2.gz HAWXOMRTOOJAAW-PMPSAXMXSA-N 1 0 309.498 3.327 10 0 DGAERO O=C(CC[NH+]1C[C@@H]2CCCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000488165707 245156535 /nfs/dbraw/zinc/15/65/35/245156535.db2.gz DAAFFTQPYBZBDJ-HOTGVXAUSA-N 1 0 315.413 3.153 10 0 DGAERO O[C@@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC2(C1)CCCC2 ZINC000488571070 245211360 /nfs/dbraw/zinc/21/13/60/245211360.db2.gz FLUBKMXDDQNLIP-AWEZNQCLSA-N 1 0 313.363 3.485 10 0 DGAERO COc1ccc(-c2nc(C[N@@H+]3CC[C@H](CO)[C@@H]3C)cs2)cc1 ZINC000488719689 245222351 /nfs/dbraw/zinc/22/23/51/245222351.db2.gz ODWJBASVXBWSLL-GXTWGEPZSA-N 1 0 318.442 3.021 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C)c(OC(C)C)c2)C1 ZINC000489598264 245328819 /nfs/dbraw/zinc/32/88/19/245328819.db2.gz ZFJZIRXWKKNEGR-OAHLLOKOSA-N 1 0 319.449 3.246 10 0 DGAERO COc1cc(C)cc(NC(=O)N2CC[NH+](CC(C)C)CC2)c1C ZINC000489677792 245335130 /nfs/dbraw/zinc/33/51/30/245335130.db2.gz VMPQAANGKLECCF-UHFFFAOYSA-N 1 0 319.449 3.118 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(F)c(F)c1 ZINC000008248197 181539774 /nfs/dbraw/zinc/53/97/74/181539774.db2.gz XXFIJXPMEQRDMD-SNVBAGLBSA-N 1 0 308.303 3.393 10 0 DGAERO CC(C)C[C@H](CNC(=O)C(C)(C)c1ccccc1F)[NH+](C)C ZINC000124446135 284259166 /nfs/dbraw/zinc/25/91/66/284259166.db2.gz USODSOWHYOTXFZ-CQSZACIVSA-N 1 0 308.441 3.196 10 0 DGAERO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CC(=O)N(C)CC3CC3)C2)cc1 ZINC000490027192 245374599 /nfs/dbraw/zinc/37/45/99/245374599.db2.gz AFCFBJBYQHWFIB-QAPCUYQASA-N 1 0 300.446 3.041 10 0 DGAERO COC(=O)[C@H]1CCCN1Cc1cnc(-c2ccc(C)cc2)s1 ZINC000124830019 284265207 /nfs/dbraw/zinc/26/52/07/284265207.db2.gz CZRSWDZOZZGJMU-OAHLLOKOSA-N 1 0 316.426 3.256 10 0 DGAERO CCS[C@@H]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000246376350 432124572 /nfs/dbraw/zinc/12/45/72/432124572.db2.gz JLKSJKBDXUOOPH-SOUVJXGZSA-N 1 0 315.527 3.032 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000125964442 284289401 /nfs/dbraw/zinc/28/94/01/284289401.db2.gz ZQBNRPGIKOVKMP-GOSISDBHSA-N 1 0 307.397 3.340 10 0 DGAERO CCC[C@@H](C(=O)N(C)Cc1cccc(OC(C)C)c1)[NH+](C)C ZINC000126307822 284300166 /nfs/dbraw/zinc/30/01/66/284300166.db2.gz HAPOUALENYNDQA-KRWDZBQOSA-N 1 0 306.450 3.163 10 0 DGAERO Cn1cc(C[N@H+](C)CC2(O)CCCCCC2)c(C(C)(C)C)n1 ZINC000190140348 432126234 /nfs/dbraw/zinc/12/62/34/432126234.db2.gz JFGBIFAXMCIOKG-UHFFFAOYSA-N 1 0 307.482 3.235 10 0 DGAERO C[NH+](C)CCn1ccc(NCc2ccc(C(C)(C)C)s2)n1 ZINC000127844153 284353952 /nfs/dbraw/zinc/35/39/52/284353952.db2.gz HXPFSABAXYAZLA-UHFFFAOYSA-N 1 0 306.479 3.416 10 0 DGAERO C[C@]1(C[NH2+][C@H]2CCN(CCc3ccccc3)C2)CCCS1 ZINC000127885410 284356392 /nfs/dbraw/zinc/35/63/92/284356392.db2.gz WXJJRZSJRGOYLI-ZWKOTPCHSA-N 1 0 304.503 3.179 10 0 DGAERO C[C@@H]1CCCN(C(=O)CN2CC[C@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000190178170 432129843 /nfs/dbraw/zinc/12/98/43/432129843.db2.gz UMMQLVWHHWYTPD-OLZOCXBDSA-N 1 0 320.399 3.155 10 0 DGAERO COc1ccc(CCCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000128949377 284392648 /nfs/dbraw/zinc/39/26/48/284392648.db2.gz JMTQQFZVWLZMOM-KRWDZBQOSA-N 1 0 320.477 3.110 10 0 DGAERO NC(=[NH2+])c1cccc(COc2ccc(Br)cc2)c1 ZINC000019433597 182123126 /nfs/dbraw/zinc/12/31/26/182123126.db2.gz RPBKTOIEWRWVND-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO CN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000019391815 182120550 /nfs/dbraw/zinc/12/05/50/182120550.db2.gz VEBFIBNGRCOOFE-LBPRGKRZSA-N 1 0 309.207 3.174 10 0 DGAERO O=C(Nc1cccc(Br)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019488988 182125426 /nfs/dbraw/zinc/12/54/26/182125426.db2.gz GKWPAVOWAHSHFX-BPNCWPANSA-N 1 0 323.234 3.308 10 0 DGAERO NC(=[NH2+])c1ccc(Oc2ccc(F)cc2Br)nc1 ZINC000019511265 182126847 /nfs/dbraw/zinc/12/68/47/182126847.db2.gz QXNFAIPIXSEGEP-UHFFFAOYSA-N 1 0 310.126 3.060 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000181453765 432130520 /nfs/dbraw/zinc/13/05/20/432130520.db2.gz GDIYCDCJKSOXTE-HYVNUMGLSA-N 1 0 313.445 3.245 10 0 DGAERO COc1cc(OC)cc(O[C@H](C[NH3+])c2cccc(Cl)c2)c1 ZINC000019671340 182134831 /nfs/dbraw/zinc/13/48/31/182134831.db2.gz MXNCYHCOWNPIAP-MRXNPFEDSA-N 1 0 307.777 3.436 10 0 DGAERO COc1cc(OC)cc(O[C@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000019671125 182134907 /nfs/dbraw/zinc/13/49/07/182134907.db2.gz AKVNULBZZBAEAJ-MRXNPFEDSA-N 1 0 307.777 3.436 10 0 DGAERO Cc1cc(C[NH2+]CC[C@H](C)[S@](C)=O)ccc1Br ZINC000129394803 284407854 /nfs/dbraw/zinc/40/78/54/284407854.db2.gz FTDKHPQNMUIAJZ-APPDUMDISA-N 1 0 318.280 3.004 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(OC)c2)[C@H](C)C1 ZINC000135649116 432131975 /nfs/dbraw/zinc/13/19/75/432131975.db2.gz CKMWTTHDIWJNDM-IUODEOHRSA-N 1 0 324.852 3.151 10 0 DGAERO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190209482 432132112 /nfs/dbraw/zinc/13/21/12/432132112.db2.gz YXRICPZZBLOSOI-STQMWFEESA-N 1 0 320.399 3.298 10 0 DGAERO [NH3+]C[C@@H](c1ccc(Br)o1)N1CCCCCCC1 ZINC000020265461 182201268 /nfs/dbraw/zinc/20/12/68/182201268.db2.gz FFNOSXXVLOHDBR-NSHDSACASA-N 1 0 301.228 3.308 10 0 DGAERO COCCc1nc(C)c([C@H](C)[NH2+]CCCc2ccccn2)s1 ZINC000181498661 432132839 /nfs/dbraw/zinc/13/28/39/432132839.db2.gz UVTZFKAQKFGLEF-ZDUSSCGKSA-N 1 0 319.474 3.319 10 0 DGAERO CC[C@H](C)[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933760 182255031 /nfs/dbraw/zinc/25/50/31/182255031.db2.gz NMHVUEVQUSPEFD-VIFPVBQESA-N 1 0 302.212 3.354 10 0 DGAERO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2nccs2)C1 ZINC000020996263 182257924 /nfs/dbraw/zinc/25/79/24/182257924.db2.gz STNCXEUGMYVPLH-INIZCTEOSA-N 1 0 316.474 3.025 10 0 DGAERO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2nccs2)C1 ZINC000020996261 182258048 /nfs/dbraw/zinc/25/80/48/182258048.db2.gz STNCXEUGMYVPLH-MRXNPFEDSA-N 1 0 316.474 3.025 10 0 DGAERO CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2cccnc2N(C)C)C1 ZINC000171421966 432133471 /nfs/dbraw/zinc/13/34/71/432133471.db2.gz BRQDEVDYYJZINP-GDBMZVCRSA-N 1 0 318.465 3.162 10 0 DGAERO CCOc1cc2c(cc1C[NH2+][C@H]1CCCSC1)O[C@H](C)C2 ZINC000135698581 432134015 /nfs/dbraw/zinc/13/40/15/432134015.db2.gz MYJYRYRNNMYOQS-DOMZBBRYSA-N 1 0 307.459 3.394 10 0 DGAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000022166459 182311703 /nfs/dbraw/zinc/31/17/03/182311703.db2.gz HCGGLIKXOAOUGM-YGRLFVJLSA-N 1 0 315.230 3.462 10 0 DGAERO C[C@H]1CCCN([C@@H](C[NH3+])c2cc(Br)ccc2F)C1 ZINC000022172121 182312036 /nfs/dbraw/zinc/31/20/36/182312036.db2.gz KLMOTMZRFMVEMX-HZMBPMFUSA-N 1 0 315.230 3.320 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccc2cc1O ZINC000246465775 432134436 /nfs/dbraw/zinc/13/44/36/432134436.db2.gz AMEDTDKMPWEULY-SJORKVTESA-N 1 0 324.424 3.244 10 0 DGAERO COC[C@H]([NH2+]CCN1CC=C(C)CC1)c1ccc(Cl)cc1 ZINC000494772874 246190572 /nfs/dbraw/zinc/19/05/72/246190572.db2.gz DDNXWKSDYKZOMK-KRWDZBQOSA-N 1 0 308.853 3.269 10 0 DGAERO CCn1ccnc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267520933 206121143 /nfs/dbraw/zinc/12/11/43/206121143.db2.gz NPJOMYKSTUBDLN-FUHWJXTLSA-N 1 0 312.461 3.046 10 0 DGAERO C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177243878 296233050 /nfs/dbraw/zinc/23/30/50/296233050.db2.gz VTCVSAYRMSEJJE-KEYYUXOJSA-N 1 0 308.853 3.054 10 0 DGAERO Cc1csc([C@@H](NCc2nc(-c3ccoc3)no2)C2CC2)n1 ZINC000181624341 432139141 /nfs/dbraw/zinc/13/91/41/432139141.db2.gz SYBHLRAHUSASFO-ZDUSSCGKSA-N 1 0 316.386 3.335 10 0 DGAERO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(Cl)cc1F ZINC000246520989 432140378 /nfs/dbraw/zinc/14/03/78/432140378.db2.gz PFYMFVDDFHOGOA-ABAIWWIYSA-N 1 0 312.816 3.246 10 0 DGAERO CCC[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246508887 432139802 /nfs/dbraw/zinc/13/98/02/432139802.db2.gz JRSHVHMQLYKMEU-ZIAGYGMSSA-N 1 0 320.399 3.299 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000246549967 432141428 /nfs/dbraw/zinc/14/14/28/432141428.db2.gz DJGNLODHQTUKJR-IIDMSEBBSA-N 1 0 315.461 3.266 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N2CCS[C@@H](C)C2)cc1)C(C)C ZINC000171567749 432144578 /nfs/dbraw/zinc/14/45/78/432144578.db2.gz NJJXNNOOGXOGIX-HNNXBMFYSA-N 1 0 320.502 3.494 10 0 DGAERO CCCOc1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246561521 432144582 /nfs/dbraw/zinc/14/45/82/432144582.db2.gz WSLBNDLMNSZXTE-PBHICJAKSA-N 1 0 319.449 3.326 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C)cn3)CC2)C1(C)C ZINC000181804786 432145883 /nfs/dbraw/zinc/14/58/83/432145883.db2.gz LUBPCUYHLAPMTD-SJORKVTESA-N 1 0 317.477 3.152 10 0 DGAERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000190355430 432146314 /nfs/dbraw/zinc/14/63/14/432146314.db2.gz WQXJFJYCUCAGQI-INIZCTEOSA-N 1 0 322.493 3.223 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1SC ZINC000246593992 432146895 /nfs/dbraw/zinc/14/68/95/432146895.db2.gz PSOZOJVLCNTAQU-KBPBESRZSA-N 1 0 304.459 3.107 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000037622920 182914204 /nfs/dbraw/zinc/91/42/04/182914204.db2.gz BUXRCGCSIDYTAR-UHFFFAOYSA-N 1 0 315.186 3.044 10 0 DGAERO Cc1ccc(Cc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)cn1 ZINC000190369662 432148297 /nfs/dbraw/zinc/14/82/97/432148297.db2.gz PYEIXOLTUNGQRB-ZFWWWQNUSA-N 1 0 301.390 3.282 10 0 DGAERO C[C@H](CN1CCOCC1)[NH2+]Cc1sc2ccccc2c1Cl ZINC000038009183 182961606 /nfs/dbraw/zinc/96/16/06/182961606.db2.gz CPXZCUOJLMIIQZ-GFCCVEGCSA-N 1 0 324.877 3.365 10 0 DGAERO Brc1sccc1C[NH2+]CCNc1ccccn1 ZINC000527667941 295112719 /nfs/dbraw/zinc/11/27/19/295112719.db2.gz YCGQBDUDSCXXDR-UHFFFAOYSA-N 1 0 312.236 3.107 10 0 DGAERO c1coc(-c2nc3ccccc3n2CCC[NH+]2CCOCC2)c1 ZINC000040389839 183060186 /nfs/dbraw/zinc/06/01/86/183060186.db2.gz VZZQLXSTPCWROV-UHFFFAOYSA-N 1 0 311.385 3.019 10 0 DGAERO Clc1ccc2c(c1)nc(C1CC1)n2CCC[NH+]1CCOCC1 ZINC000040406013 183062099 /nfs/dbraw/zinc/06/20/99/183062099.db2.gz FVAORWBCKXFPRV-UHFFFAOYSA-N 1 0 319.836 3.289 10 0 DGAERO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000152931993 284648882 /nfs/dbraw/zinc/64/88/82/284648882.db2.gz KJJSUPGTTOVODL-ZDUSSCGKSA-N 1 0 310.413 3.134 10 0 DGAERO C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1cccs1 ZINC000171605135 432149502 /nfs/dbraw/zinc/14/95/02/432149502.db2.gz IGIGDHGRKFXKCZ-HIFRSBDPSA-N 1 0 302.443 3.098 10 0 DGAERO CC[N@H+](CCC(N)=S)Cc1ccc(F)c(Br)c1 ZINC000042452917 183272099 /nfs/dbraw/zinc/27/20/99/183272099.db2.gz YUUYMKBMDBEQEU-UHFFFAOYSA-N 1 0 319.243 3.086 10 0 DGAERO COCCN(CC(C)C)c1cc(Br)ccc1C[NH3+] ZINC000042370473 183259955 /nfs/dbraw/zinc/25/99/55/183259955.db2.gz TVLJSWZNYZYBLM-UHFFFAOYSA-N 1 0 315.255 3.017 10 0 DGAERO COCC[N@H+](C)CCC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000181943599 432150274 /nfs/dbraw/zinc/15/02/74/432150274.db2.gz FKPOHXKBDDBCKF-KRWDZBQOSA-N 1 0 314.420 3.220 10 0 DGAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000042743281 183304169 /nfs/dbraw/zinc/30/41/69/183304169.db2.gz NEJLSOGIGDDJLB-YGRLFVJLSA-N 1 0 305.249 3.350 10 0 DGAERO CCc1c(C)nn([C@H](C[NH3+])c2ccc(Br)cc2)c1C ZINC000042956139 183322751 /nfs/dbraw/zinc/32/27/51/183322751.db2.gz ZQZLWTYLBYBKGB-OAHLLOKOSA-N 1 0 322.250 3.373 10 0 DGAERO CCOC(=O)CS[C@H](c1cccc(Cl)c1)[C@@H]([NH3+])CC ZINC000043019556 183328606 /nfs/dbraw/zinc/32/86/06/183328606.db2.gz QREGFLALUNLJKX-GXTWGEPZSA-N 1 0 301.839 3.415 10 0 DGAERO Cc1cc(C)n([C@@H](c2cccc(Br)c2)[C@H](C)[NH3+])n1 ZINC000043022076 183330024 /nfs/dbraw/zinc/33/00/24/183330024.db2.gz NDNFCYKFMOVCEK-SMDDNHRTSA-N 1 0 308.223 3.199 10 0 DGAERO CCOCCO[C@@H](c1ccccc1Br)[C@H]([NH3+])CC ZINC000043094582 183336686 /nfs/dbraw/zinc/33/66/86/183336686.db2.gz GCCHGVYUZJLIDL-KGLIPLIRSA-N 1 0 316.239 3.281 10 0 DGAERO C[C@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccccc1Br ZINC000043093991 183336881 /nfs/dbraw/zinc/33/68/81/183336881.db2.gz DWXXABGXRLJNQE-OIBJUYFYSA-N 1 0 312.129 3.416 10 0 DGAERO CC(C)OCCO[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043094725 183337560 /nfs/dbraw/zinc/33/75/60/183337560.db2.gz MEVKCHIEWLJYSJ-RISCZKNCSA-N 1 0 316.239 3.279 10 0 DGAERO [NH3+]C[C@@H](Sc1ncccn1)c1ccccc1Br ZINC000043096018 183337820 /nfs/dbraw/zinc/33/78/20/183337820.db2.gz JVPQIONXQRTHKY-LLVKDONJSA-N 1 0 310.220 3.031 10 0 DGAERO CCOC(=O)CS[C@@H](c1ccccc1Cl)[C@@H]([NH3+])CC ZINC000043089946 183335124 /nfs/dbraw/zinc/33/51/24/183335124.db2.gz OEYFRRSSBYEUKR-JSGCOSHPSA-N 1 0 301.839 3.415 10 0 DGAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000284596754 218093176 /nfs/dbraw/zinc/09/31/76/218093176.db2.gz PMFXPKHRTZNRTB-WDEREUQCSA-N 1 0 311.834 3.136 10 0 DGAERO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(Cl)c1 ZINC000104972196 194059730 /nfs/dbraw/zinc/05/97/30/194059730.db2.gz YLXQSMICDNAUNB-ZDUSSCGKSA-N 1 0 307.825 3.350 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000105080496 194070774 /nfs/dbraw/zinc/07/07/74/194070774.db2.gz GOVCITIKHKMGSF-IUODEOHRSA-N 1 0 309.841 3.137 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@@]2(C)CCCc3ccccc32)CCOCC1 ZINC000453169488 284748304 /nfs/dbraw/zinc/74/83/04/284748304.db2.gz UFPZFSIUMXLDSY-QFBILLFUSA-N 1 0 317.473 3.454 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1F ZINC000105802370 194132763 /nfs/dbraw/zinc/13/27/63/194132763.db2.gz CJXOWDCIPZBOOV-TZMCWYRMSA-N 1 0 318.371 3.074 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)n1 ZINC000105885431 194157201 /nfs/dbraw/zinc/15/72/01/194157201.db2.gz SQZIVDGXENUNTE-CQSZACIVSA-N 1 0 320.387 3.085 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000047934936 183609815 /nfs/dbraw/zinc/60/98/15/183609815.db2.gz UNNUZXFVMLLRJW-VXGBXAGGSA-N 1 0 313.392 3.055 10 0 DGAERO C[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075124 194183879 /nfs/dbraw/zinc/18/38/79/194183879.db2.gz SEZNERBQXFVGCX-RHSMWYFYSA-N 1 0 314.408 3.278 10 0 DGAERO Cc1cnn(C[C@H]2C[N@H+](Cc3c(C)cc(C)cc3C)CCO2)c1 ZINC000106194096 194189047 /nfs/dbraw/zinc/18/90/47/194189047.db2.gz CBGVPMVBXLZJPH-GOSISDBHSA-N 1 0 313.445 3.018 10 0 DGAERO COc1ccc(CC[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)cc1 ZINC000106372252 194202559 /nfs/dbraw/zinc/20/25/59/194202559.db2.gz DHYYFQAUZUDOGC-UHFFFAOYSA-N 1 0 313.445 3.153 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1Cl ZINC000106424971 194212352 /nfs/dbraw/zinc/21/23/52/194212352.db2.gz LNDJUFFOFCYZAU-KRWDZBQOSA-N 1 0 316.832 3.129 10 0 DGAERO O=C(N1CCCC[C@@H]([NH+]2CCCC2)C1)C1(c2ccccc2)CC1 ZINC000107523709 194255762 /nfs/dbraw/zinc/25/57/62/194255762.db2.gz PEVONQQFPZNPPT-GOSISDBHSA-N 1 0 312.457 3.195 10 0 DGAERO CC[NH2+]C[C@H]1CCN(c2c(F)cc(F)cc2Br)C1 ZINC000053030911 183884139 /nfs/dbraw/zinc/88/41/39/183884139.db2.gz GNGBVSWMQNTFEJ-SECBINFHSA-N 1 0 319.193 3.163 10 0 DGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(COC)o2)C1 ZINC000110974854 194376682 /nfs/dbraw/zinc/37/66/82/194376682.db2.gz OBVNUWUAQGWMRR-AWEZNQCLSA-N 1 0 322.449 3.056 10 0 DGAERO C[C@@H](c1cccs1)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000057977909 184064034 /nfs/dbraw/zinc/06/40/34/184064034.db2.gz YAIVUNDIDNUXPR-HOCLYGCPSA-N 1 0 305.443 3.319 10 0 DGAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000246408517 284893029 /nfs/dbraw/zinc/89/30/29/284893029.db2.gz MHOKIVQXIBTXHG-NUEKZKHPSA-N 1 0 310.507 3.454 10 0 DGAERO C[NH2+][C@H](Cc1ccncc1)Cc1ccc(F)cc1Br ZINC000060709119 184154716 /nfs/dbraw/zinc/15/47/16/184154716.db2.gz NWIHYCXQKFDBHM-CQSZACIVSA-N 1 0 323.209 3.356 10 0 DGAERO CC[C@H]([NH2+]C)c1nnc(-c2ccc(F)cc2Br)o1 ZINC000061512068 184171657 /nfs/dbraw/zinc/17/16/57/184171657.db2.gz HVQOGTQSXJZSPS-JTQLQIEISA-N 1 0 314.158 3.309 10 0 DGAERO CCSCc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061604126 184177062 /nfs/dbraw/zinc/17/70/62/184177062.db2.gz NGYPYQGZAWDWMP-UHFFFAOYSA-N 1 0 318.486 3.250 10 0 DGAERO O=C(c1ccc(Cl)cc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605880 184177555 /nfs/dbraw/zinc/17/75/55/184177555.db2.gz GDQLPEFRXUSLAS-UHFFFAOYSA-N 1 0 313.228 3.304 10 0 DGAERO CC(C)Sc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061604235 184177579 /nfs/dbraw/zinc/17/75/79/184177579.db2.gz NWDMZCBRQJSDDO-UHFFFAOYSA-N 1 0 318.486 3.497 10 0 DGAERO [NH3+]C[C@H](c1nc2cc(Br)ccc2[nH]1)c1ccccc1 ZINC000061608857 184178126 /nfs/dbraw/zinc/17/81/26/184178126.db2.gz KVXTWUWQXYBMTC-LBPRGKRZSA-N 1 0 316.202 3.416 10 0 DGAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(Br)ccc1Cl ZINC000061692567 184183482 /nfs/dbraw/zinc/18/34/82/184183482.db2.gz ZIKAHMSLLKBAJN-QMMMGPOBSA-N 1 0 319.630 3.287 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@@H]1COc2c(Cl)cccc2[C@@H]1O ZINC000062174878 184211313 /nfs/dbraw/zinc/21/13/13/184211313.db2.gz NTWOLUMYLCCZMS-CVEARBPZSA-N 1 0 303.789 3.266 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@H]1c2cccc(Cl)c2OC[C@@H]1O ZINC000062190556 184217720 /nfs/dbraw/zinc/21/77/20/184217720.db2.gz DOTQQLHHNJRKGY-HOTGVXAUSA-N 1 0 303.789 3.266 10 0 DGAERO CC[C@@]1(CN(C)Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000062911902 184259506 /nfs/dbraw/zinc/25/95/06/184259506.db2.gz LSWWLRBUYSLRFB-CYBMUJFWSA-N 1 0 317.296 3.332 10 0 DGAERO Cc1ccc(C(=O)Nc2nc3c(s2)C[NH2+]CC3)cc1Cl ZINC000063022287 184267520 /nfs/dbraw/zinc/26/75/20/184267520.db2.gz ZFGRLYXBXUEJCL-UHFFFAOYSA-N 1 0 307.806 3.003 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000063167798 184275673 /nfs/dbraw/zinc/27/56/73/184275673.db2.gz ZQHHEDALXIUKLJ-LLVKDONJSA-N 1 0 301.217 3.208 10 0 DGAERO CC(C)Cc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000113440603 194591646 /nfs/dbraw/zinc/59/16/46/194591646.db2.gz ATSNCDQIYLVVSV-IBGZPJMESA-N 1 0 324.472 3.434 10 0 DGAERO COc1ccccc1CCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248593522 285009259 /nfs/dbraw/zinc/00/92/59/285009259.db2.gz SHHZDBAENLQDSF-HKUYNNGSSA-N 1 0 303.446 3.255 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248639459 285012949 /nfs/dbraw/zinc/01/29/49/285012949.db2.gz WULHGOYIEFPRDB-JSGCOSHPSA-N 1 0 300.402 3.296 10 0 DGAERO C[C@@H]1C[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC000248666135 285016308 /nfs/dbraw/zinc/01/63/08/285016308.db2.gz NGGHBFWHZXDVHV-CZUORRHYSA-N 1 0 314.495 3.071 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)c(CSC)c2)C1 ZINC000174345594 252672376 /nfs/dbraw/zinc/67/23/76/252672376.db2.gz MBKCEHYQFHJLPZ-CYBMUJFWSA-N 1 0 324.465 3.103 10 0 DGAERO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248708575 285018776 /nfs/dbraw/zinc/01/87/76/285018776.db2.gz AZRUDVCYZKQJRX-QGPMSJSTSA-N 1 0 315.461 3.046 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cnn1C(C)(C)C ZINC000248748139 285022969 /nfs/dbraw/zinc/02/29/69/285022969.db2.gz ZNRWLYANQIIRNQ-KEYYUXOJSA-N 1 0 306.498 3.326 10 0 DGAERO CCC1(CC)[C@H]([NH2+]Cc2nc(-c3ccoc3)no2)[C@@H](C)[C@H]1OC ZINC000248842488 285030226 /nfs/dbraw/zinc/03/02/26/285030226.db2.gz QGHAJHWLQBNRRN-KCPJHIHWSA-N 1 0 319.405 3.259 10 0 DGAERO CCCCNC(=O)[C@@H](C)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248803973 285027143 /nfs/dbraw/zinc/02/71/43/285027143.db2.gz QWMXVMKCZDCCIY-VXGBXAGGSA-N 1 0 308.388 3.202 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000248869994 285034001 /nfs/dbraw/zinc/03/40/01/285034001.db2.gz ZSJMGOATURITRO-CLLJXQQHSA-N 1 0 317.351 3.318 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 ZINC000261554862 252768719 /nfs/dbraw/zinc/76/87/19/252768719.db2.gz PGHCKECMBKYQMD-CRAIPNDOSA-N 1 0 324.424 3.075 10 0 DGAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cnc(CC(C)C)s1 ZINC000248848374 285031406 /nfs/dbraw/zinc/03/14/06/285031406.db2.gz POQZHKXNWUWRIF-INWMFGNUSA-N 1 0 322.474 3.115 10 0 DGAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cnc(CC(C)C)s1 ZINC000248848383 285031528 /nfs/dbraw/zinc/03/15/28/285031528.db2.gz POQZHKXNWUWRIF-XPKDYRNWSA-N 1 0 322.474 3.115 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000119608662 195001914 /nfs/dbraw/zinc/00/19/14/195001914.db2.gz WKWXUJVYMBAKCF-QGZVFWFLSA-N 1 0 318.436 3.094 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000249030789 285047128 /nfs/dbraw/zinc/04/71/28/285047128.db2.gz BFODWCKACNHWCU-YESZJQIVSA-N 1 0 300.450 3.027 10 0 DGAERO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000249037261 285047942 /nfs/dbraw/zinc/04/79/42/285047942.db2.gz UGWVWSMXGLAPJL-BZUAXINKSA-N 1 0 317.477 3.364 10 0 DGAERO C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248998181 285044663 /nfs/dbraw/zinc/04/46/63/285044663.db2.gz MKJOFAJIBBTMJH-VYCZESIESA-N 1 0 300.446 3.374 10 0 DGAERO CC(C)[C@@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000120086468 195094178 /nfs/dbraw/zinc/09/41/78/195094178.db2.gz GRDNDJKFJJCNNT-KLAILNCOSA-N 1 0 309.498 3.373 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc3ccccc3c2)on1 ZINC000120100455 195096792 /nfs/dbraw/zinc/09/67/92/195096792.db2.gz KGZUSRKFPGIDPA-ZDUSSCGKSA-N 1 0 309.369 3.426 10 0 DGAERO CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1OC ZINC000249136171 285059364 /nfs/dbraw/zinc/05/93/64/285059364.db2.gz DUSIFNVSTNXBMH-KSSFIOAISA-N 1 0 307.434 3.341 10 0 DGAERO CCc1ccccc1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000249148825 285060389 /nfs/dbraw/zinc/06/03/89/285060389.db2.gz ZWYHWRUNTAHSTR-CTNGQTDRSA-N 1 0 322.452 3.353 10 0 DGAERO C[C@@H]1C[N@H+](C[C@H](O)CC2CCCC2)C[C@@H](c2ccccc2)O1 ZINC000249116045 285057396 /nfs/dbraw/zinc/05/73/96/285057396.db2.gz RZPJDOCSZSJTPC-LZQZEXGQSA-N 1 0 303.446 3.390 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3csc4ccccc34)C[C@@H]21 ZINC000333106932 252936017 /nfs/dbraw/zinc/93/60/17/252936017.db2.gz DHBHNAGNZFJIDX-KWCYVHTRSA-N 1 0 315.442 3.492 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3csc4ccccc34)C[C@H]21 ZINC000333106931 252936267 /nfs/dbraw/zinc/93/62/67/252936267.db2.gz DHBHNAGNZFJIDX-IACUBPJLSA-N 1 0 315.442 3.492 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@H]1C ZINC000249236800 285064548 /nfs/dbraw/zinc/06/45/48/285064548.db2.gz WDOFAXWMNHGGDF-RHSMWYFYSA-N 1 0 305.466 3.325 10 0 DGAERO CC[N@H+](Cc1ccc(OC)c(Br)c1)[C@H]1CCOC1 ZINC000336785676 253001330 /nfs/dbraw/zinc/00/13/30/253001330.db2.gz AHTPEALEHNQUBV-LBPRGKRZSA-N 1 0 314.223 3.069 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249543449 285079929 /nfs/dbraw/zinc/07/99/29/285079929.db2.gz FPYRGMQWKVMEGI-PXAZEXFGSA-N 1 0 324.852 3.070 10 0 DGAERO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000336895202 253019088 /nfs/dbraw/zinc/01/90/88/253019088.db2.gz MSVYIRXNNQFITA-HZMBPMFUSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000336895203 253019548 /nfs/dbraw/zinc/01/95/48/253019548.db2.gz MSVYIRXNNQFITA-IINYFYTJSA-N 1 0 316.214 3.229 10 0 DGAERO c1cc2c(cccc2CC[NH2+]Cc2ccc3c(c2)OCCO3)[nH]1 ZINC000337296345 253080201 /nfs/dbraw/zinc/08/02/01/253080201.db2.gz OFUMKKIIBPYLEQ-UHFFFAOYSA-N 1 0 308.381 3.271 10 0 DGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249745893 285086366 /nfs/dbraw/zinc/08/63/66/285086366.db2.gz ZOYBGCKRLVRHMZ-MCIONIFRSA-N 1 0 320.399 3.298 10 0 DGAERO COC[C@@H](C)C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000249771421 285088170 /nfs/dbraw/zinc/08/81/70/285088170.db2.gz JNRQEASORRZWSD-SWLSCSKDSA-N 1 0 317.351 3.361 10 0 DGAERO COc1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)C(C)C ZINC000249771365 285088176 /nfs/dbraw/zinc/08/81/76/285088176.db2.gz BSVKSULJNNBGSU-JQHSSLGASA-N 1 0 305.462 3.403 10 0 DGAERO CC(=O)c1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000337376448 253100805 /nfs/dbraw/zinc/10/08/05/253100805.db2.gz AKOWKUVCFQFCSC-CQSZACIVSA-N 1 0 320.458 3.041 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384415 253102358 /nfs/dbraw/zinc/10/23/58/253102358.db2.gz KLZLDZXEMKSNFE-CABCVRRESA-N 1 0 305.491 3.152 10 0 DGAERO c1cc(CN2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337993541 253206078 /nfs/dbraw/zinc/20/60/78/253206078.db2.gz JHROZSTXAHXZIA-WOJBJXKFSA-N 1 0 314.473 3.187 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2ccc(C)o2)C1 ZINC000252538647 285103164 /nfs/dbraw/zinc/10/31/64/285103164.db2.gz NDNZVWBKCJDWJZ-HOTGVXAUSA-N 1 0 319.449 3.309 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H](C)c1ccccc1 ZINC000253548004 285110406 /nfs/dbraw/zinc/11/04/06/285110406.db2.gz AMNJQXXRQIPQOM-NXHRZFHOSA-N 1 0 300.446 3.265 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccn3)C2)c1 ZINC000159165312 197332168 /nfs/dbraw/zinc/33/21/68/197332168.db2.gz BZUURBMQQPCBEM-HOTGVXAUSA-N 1 0 311.429 3.410 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)o1 ZINC000159215211 197336865 /nfs/dbraw/zinc/33/68/65/197336865.db2.gz QQWWHUWSMPHVMX-RHSMWYFYSA-N 1 0 314.429 3.192 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@H]2CSC2(C)C)c1 ZINC000338478096 253294785 /nfs/dbraw/zinc/29/47/85/253294785.db2.gz SGENEMHONMIFRZ-LBPRGKRZSA-N 1 0 316.264 3.441 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000158993146 197317306 /nfs/dbraw/zinc/31/73/06/197317306.db2.gz DYSLISIINVKKQB-HNNXBMFYSA-N 1 0 322.412 3.169 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC/C=C\c1ccccc1 ZINC000255044336 285122788 /nfs/dbraw/zinc/12/27/88/285122788.db2.gz GGPMJJHHFBVGCF-RYKGSNAESA-N 1 0 300.446 3.423 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C/C=C\c1cccc(F)c1 ZINC000255084611 285128178 /nfs/dbraw/zinc/12/81/78/285128178.db2.gz HCAKNAINITYBJZ-BQLWYNFJSA-N 1 0 304.409 3.220 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1ccc2ccccc2n1 ZINC000255216639 285138883 /nfs/dbraw/zinc/13/88/83/285138883.db2.gz OUHHPACFUFISBM-SQVRQVGWSA-N 1 0 323.440 3.191 10 0 DGAERO C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000120258621 195129667 /nfs/dbraw/zinc/12/96/67/195129667.db2.gz LGBXAIBVJNIDHP-AWEZNQCLSA-N 1 0 317.477 3.439 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]Cc1ccc2ccccc2n1 ZINC000340406240 253616432 /nfs/dbraw/zinc/61/64/32/253616432.db2.gz AIVORKWTTWRKMM-UHFFFAOYSA-N 1 0 315.380 3.310 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(F)c(C)c2)[C@H](C)C1 ZINC000158415412 197269975 /nfs/dbraw/zinc/26/99/75/197269975.db2.gz VXLPWANBNJWYLD-ZBFHGGJFSA-N 1 0 306.425 3.245 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000342844123 254063286 /nfs/dbraw/zinc/06/32/86/254063286.db2.gz YKMYSTQYZKBCLB-KRWDZBQOSA-N 1 0 315.442 3.208 10 0 DGAERO c1ccc(C2(C[NH+](C[C@H]3CCCO3)C[C@H]3CCCO3)CC2)cc1 ZINC000343061440 254092495 /nfs/dbraw/zinc/09/24/95/254092495.db2.gz ACUKVPDJUQAWHW-RTBURBONSA-N 1 0 315.457 3.378 10 0 DGAERO CCC[C@H](C(=O)Nc1cccc(SC(=O)N(C)C)c1)[NH+](C)C ZINC000157303066 197178453 /nfs/dbraw/zinc/17/84/53/197178453.db2.gz FUKPCBFGPUEFDH-CQSZACIVSA-N 1 0 323.462 3.129 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C/C=C\c2cccc(F)c2)C1 ZINC000255724665 285176478 /nfs/dbraw/zinc/17/64/78/285176478.db2.gz GMQCWJAARZOWAP-IMXKFXGHSA-N 1 0 318.436 3.466 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344647128 254292714 /nfs/dbraw/zinc/29/27/14/254292714.db2.gz RMILDGXLZUZTHZ-ZBFHGGJFSA-N 1 0 310.482 3.009 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\SCc1ccco1 ZINC000255909982 285187324 /nfs/dbraw/zinc/18/73/24/285187324.db2.gz YPBCBVVLPLUHHM-IKQZUGGXSA-N 1 0 320.458 3.112 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000255915252 285187812 /nfs/dbraw/zinc/18/78/12/285187812.db2.gz CKYQKHSUGAWFBS-PTZVLDCSSA-N 1 0 302.462 3.491 10 0 DGAERO Cc1csc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000344535148 254280416 /nfs/dbraw/zinc/28/04/16/254280416.db2.gz UGQXWUUEMFSNNZ-AWEZNQCLSA-N 1 0 302.443 3.307 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CC[C@H]2SC)cc1Br ZINC000344961970 254319064 /nfs/dbraw/zinc/31/90/64/254319064.db2.gz XUVGTIKDCKSLQP-DGCLKSJQSA-N 1 0 316.264 3.441 10 0 DGAERO CCSc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261817876 285192643 /nfs/dbraw/zinc/19/26/43/285192643.db2.gz SLSHGPPTLNDGKK-JGGQBBKZSA-N 1 0 306.475 3.351 10 0 DGAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccccc1Cc1ccccc1 ZINC000261820787 285193259 /nfs/dbraw/zinc/19/32/59/285193259.db2.gz NMGBKPQZZVHVCD-WBVHZDCISA-N 1 0 308.425 3.087 10 0 DGAERO Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000156668192 197132048 /nfs/dbraw/zinc/13/20/48/197132048.db2.gz PKJQFJLKHHFTDD-HNNXBMFYSA-N 1 0 310.401 3.245 10 0 DGAERO c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269434583 285205191 /nfs/dbraw/zinc/20/51/91/285205191.db2.gz QLWSYWMFWFCAAD-RDTXWAMCSA-N 1 0 308.429 3.083 10 0 DGAERO COC(=O)[C@@]12CCC[C@@H]1CN(c1cc(C)[nH+]c3ccccc31)C2 ZINC000302157203 533152051 /nfs/dbraw/zinc/15/20/51/533152051.db2.gz IZOJSGNOXPDYGU-AUUYWEPGSA-N 1 0 310.397 3.323 10 0 DGAERO Fc1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c(F)c1 ZINC000120356252 195150156 /nfs/dbraw/zinc/15/01/56/195150156.db2.gz GELNMLHGUUDESV-CYBMUJFWSA-N 1 0 303.356 3.294 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 ZINC000154926193 197005739 /nfs/dbraw/zinc/00/57/39/197005739.db2.gz JQGBUJGEZHKAFR-IAGOWNOFSA-N 1 0 314.408 3.325 10 0 DGAERO Cc1cnccc1NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000120451998 195169448 /nfs/dbraw/zinc/16/94/48/195169448.db2.gz QEMYSPVFOYYVAQ-CYBMUJFWSA-N 1 0 315.377 3.265 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000120584430 195194648 /nfs/dbraw/zinc/19/46/48/195194648.db2.gz HVUAIFMKYFYGOR-STQMWFEESA-N 1 0 301.434 3.327 10 0 DGAERO Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc(C)c1F ZINC000120561069 195189953 /nfs/dbraw/zinc/18/99/53/195189953.db2.gz AKWOYEKWUZMLEJ-UHFFFAOYSA-N 1 0 318.436 3.391 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)CC2 ZINC000120556700 195190221 /nfs/dbraw/zinc/19/02/21/195190221.db2.gz HZCZDWFMXUCVPQ-BLVKFPJESA-N 1 0 313.445 3.254 10 0 DGAERO COc1ccc([C@@H](CCC(C)C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152353385 196812070 /nfs/dbraw/zinc/81/20/70/196812070.db2.gz KVKWWVWWPZHQSK-FUHWJXTLSA-N 1 0 318.461 3.383 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](O)COCC(C)C)CCCO2 ZINC000151438032 196680676 /nfs/dbraw/zinc/68/06/76/196680676.db2.gz RWLMXXSSKQHUSW-FUHWJXTLSA-N 1 0 321.461 3.140 10 0 DGAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000453363214 285312648 /nfs/dbraw/zinc/31/26/48/285312648.db2.gz KZPWSUWQYWBFEY-DSLXNQLJSA-N 1 0 303.446 3.295 10 0 DGAERO c1ccc(OC2CC2)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000290036101 221393672 /nfs/dbraw/zinc/39/36/72/221393672.db2.gz NSRFKGPYLLCMJB-INIZCTEOSA-N 1 0 300.446 3.146 10 0 DGAERO CO[C@H]1CC[N@H+](CC2CCOCC2)C[C@H]1Cc1cccc(C)c1 ZINC000247864345 257115810 /nfs/dbraw/zinc/11/58/10/257115810.db2.gz HSVAJZRWDUKAAW-UXHICEINSA-N 1 0 317.473 3.301 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1F ZINC000121566340 195308106 /nfs/dbraw/zinc/30/81/06/195308106.db2.gz ZDSFKQQDVZFQTO-IHRRRGAJSA-N 1 0 322.424 3.274 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000121724459 195335341 /nfs/dbraw/zinc/33/53/41/195335341.db2.gz YRMNJRJKRZRSKY-DEYYWGMASA-N 1 0 303.450 3.024 10 0 DGAERO CCn1cc(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000121818903 195353713 /nfs/dbraw/zinc/35/37/13/195353713.db2.gz GJALJIFCOZPZCK-IBGZPJMESA-N 1 0 312.461 3.047 10 0 DGAERO [NH3+]CCOc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 ZINC000122444147 195452108 /nfs/dbraw/zinc/45/21/08/195452108.db2.gz VXPIGODIKAUPQZ-UHFFFAOYSA-N 1 0 308.740 3.069 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+]Cc2cccc(C(N)=O)c2)s1 ZINC000126336785 195831225 /nfs/dbraw/zinc/83/12/25/195831225.db2.gz KRWGURMAIDERRQ-UHFFFAOYSA-N 1 0 302.443 3.434 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccccc1C(F)(F)F ZINC000125645307 195772683 /nfs/dbraw/zinc/77/26/83/195772683.db2.gz JYRLBPUOHYIZCJ-WFASDCNBSA-N 1 0 317.351 3.145 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000125654145 195773495 /nfs/dbraw/zinc/77/34/95/195773495.db2.gz HNUVHTUCNGWZSW-LPHOPBHVSA-N 1 0 321.461 3.161 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2c1C ZINC000127661770 195898057 /nfs/dbraw/zinc/89/80/57/195898057.db2.gz DLOJVIYEBPZMGI-WBMJQRKESA-N 1 0 313.445 3.339 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449398264 533380452 /nfs/dbraw/zinc/38/04/52/533380452.db2.gz UFCYSECBCUXJDW-WTQUMQLASA-N 1 0 322.880 3.180 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc2ccccc2s1 ZINC000187728817 533427855 /nfs/dbraw/zinc/42/78/55/533427855.db2.gz PHLFBVASOUSFPO-UONOGXRCSA-N 1 0 304.459 3.273 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000174572551 533588978 /nfs/dbraw/zinc/58/89/78/533588978.db2.gz VQMDTYREKLAKRT-MNOVXSKESA-N 1 0 313.804 3.426 10 0 DGAERO c1ccc(N2CC[C@H]([NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000282299175 285484537 /nfs/dbraw/zinc/48/45/37/285484537.db2.gz SMKHNTRETBVHRY-WMZOPIPTSA-N 1 0 300.446 3.204 10 0 DGAERO c1cnc(N2CCC[C@@H]([NH2+][C@H]3CCCc4ccccc43)C2)nc1 ZINC000192813070 285545313 /nfs/dbraw/zinc/54/53/13/285545313.db2.gz HJWRGRFPPZKNFV-AEFFLSMTSA-N 1 0 308.429 3.113 10 0 DGAERO c1ccc([C@H]([NH2+]Cc2nc3ccccc3[nH]2)[C@H]2CCOC2)cc1 ZINC000357350943 285728028 /nfs/dbraw/zinc/72/80/28/285728028.db2.gz DSGZQVDQLPHWIW-KXBFYZLASA-N 1 0 307.397 3.430 10 0 DGAERO C[C@@H]1CCN(C(=O)c2cc3c(s2)CCCCC3)[C@@H](C[NH3+])C1 ZINC000235401628 296539232 /nfs/dbraw/zinc/53/92/32/296539232.db2.gz XPMHDHAIJRTZFO-TZMCWYRMSA-N 1 0 306.475 3.216 10 0 DGAERO COC1([C@@H](C)[NH2+]CC(C)(C)c2ccc(C)cc2)CCOCC1 ZINC000453097001 292133534 /nfs/dbraw/zinc/13/35/34/292133534.db2.gz SREIHDVKUXIQRG-MRXNPFEDSA-N 1 0 305.462 3.446 10 0 DGAERO COC1([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CC2)CCOCC1 ZINC000453065613 292134201 /nfs/dbraw/zinc/13/42/01/292134201.db2.gz QDZNJAZEGLIVEG-CQSZACIVSA-N 1 0 307.409 3.031 10 0 DGAERO COc1ccccc1[C@@H](C)N[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000006589797 400093866 /nfs/dbraw/zinc/09/38/66/400093866.db2.gz ZHABTSUWTLEGKA-OLZOCXBDSA-N 1 0 323.396 3.344 10 0 DGAERO C[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[NH2+]1 ZINC000303080923 400104982 /nfs/dbraw/zinc/10/49/82/400104982.db2.gz NESLSWULNNDLAA-IBGZPJMESA-N 1 0 310.397 3.346 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCn2ccccc2=O)o1 ZINC000608510808 400081935 /nfs/dbraw/zinc/08/19/35/400081935.db2.gz ULPKOPSFABXOKL-ZBFHGGJFSA-N 1 0 300.402 3.223 10 0 DGAERO c1cc2cc(C[NH2+]C3CCN(c4ccccn4)CC3)ccc2[nH]1 ZINC000322650746 400175379 /nfs/dbraw/zinc/17/53/79/400175379.db2.gz XIULTAXLULJYTC-UHFFFAOYSA-N 1 0 306.413 3.322 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccc2cnccc2c1 ZINC000616584278 400177791 /nfs/dbraw/zinc/17/77/91/400177791.db2.gz KKGIXRSNKUCTEC-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO CC[N@@H+]1CCN[C@@H](c2ccccc2N(C)C(=O)OC(C)(C)C)C1 ZINC000616600111 400181520 /nfs/dbraw/zinc/18/15/20/400181520.db2.gz BNQMSDQAYMGGNR-OAHLLOKOSA-N 1 0 319.449 3.024 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2ccccn2)C1 ZINC000616601665 400181689 /nfs/dbraw/zinc/18/16/89/400181689.db2.gz JKRVNWHVFYNUQG-HNNXBMFYSA-N 1 0 319.449 3.176 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3cccc4cnccc43)C2)cc1 ZINC000616600692 400182155 /nfs/dbraw/zinc/18/21/55/400182155.db2.gz APDJMRMASWYXRH-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3ccnc4ccccc43)C2)cc1 ZINC000616602745 400182269 /nfs/dbraw/zinc/18/22/69/400182269.db2.gz NAZNHWLXQSOCAH-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H]1CCc2nccn2C1 ZINC000328648972 400183813 /nfs/dbraw/zinc/18/38/13/400183813.db2.gz UVCSUQRNOCEMRA-LBPRGKRZSA-N 1 0 307.800 3.370 10 0 DGAERO C[N@@H+](Cc1ccc2ccccc2n1)C[C@@H]1CCc2nccn2C1 ZINC000328634623 400183908 /nfs/dbraw/zinc/18/39/08/400183908.db2.gz MUJVNEALEHRYLQ-HNNXBMFYSA-N 1 0 306.413 3.126 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3ccc4cccnc4c3)C2)cc1 ZINC000616632566 400189134 /nfs/dbraw/zinc/18/91/34/400189134.db2.gz QZEGYPRNHCWXDX-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO C[C@@H]1C[NH2+][C@@H](c2cccc(I)c2)S1 ZINC000306677356 400125889 /nfs/dbraw/zinc/12/58/89/400125889.db2.gz YPOUETBLQWNTJL-GMSGAONNSA-N 1 0 305.184 3.015 10 0 DGAERO C[C@H]1C[NH2+][C@@H](c2cccc(I)c2)S1 ZINC000306677357 400125961 /nfs/dbraw/zinc/12/59/61/400125961.db2.gz YPOUETBLQWNTJL-OIBJUYFYSA-N 1 0 305.184 3.015 10 0 DGAERO C[C@@H]1C[NH2+][C@H](c2ccc(I)cc2)S1 ZINC000306823470 400127803 /nfs/dbraw/zinc/12/78/03/400127803.db2.gz SXFBRSRYNMDLCJ-XCBNKYQSSA-N 1 0 305.184 3.015 10 0 DGAERO COc1ccc(Br)cc1C[NH2+]CCOC(C)(C)C ZINC000308691042 400131073 /nfs/dbraw/zinc/13/10/73/400131073.db2.gz JEICGUVPIQIZLU-UHFFFAOYSA-N 1 0 316.239 3.362 10 0 DGAERO [NH3+][C@@H]1CCc2cc(NC(=O)c3ccc(Cl)cc3)ccc2C1 ZINC000313990355 400137051 /nfs/dbraw/zinc/13/70/51/400137051.db2.gz XOSKXMUQFZMWSO-OAHLLOKOSA-N 1 0 300.789 3.408 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000616618493 400186380 /nfs/dbraw/zinc/18/63/80/400186380.db2.gz XHKBCVXQRRHSER-HNNXBMFYSA-N 1 0 320.433 3.205 10 0 DGAERO CN(CCC1CC[NH+](CC2CC2)CC1)C(=O)c1ccccc1 ZINC000013745776 400152728 /nfs/dbraw/zinc/15/27/28/400152728.db2.gz GFSATERCQIHYAN-UHFFFAOYSA-N 1 0 300.446 3.271 10 0 DGAERO C[N@H+](CC(=O)NCCc1cccc2ccccc21)CC(C)(C)C ZINC000588903366 400241999 /nfs/dbraw/zinc/24/19/99/400241999.db2.gz UYAVOTBQSDNVQS-UHFFFAOYSA-N 1 0 312.457 3.476 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2C[NH2+]CCCO2)c1 ZINC000616651774 400192710 /nfs/dbraw/zinc/19/27/10/400192710.db2.gz GIJHFVCNQWDDFL-HNNXBMFYSA-N 1 0 306.406 3.109 10 0 DGAERO CCOC(=O)c1ccc([C@H]2CCOCC[N@@H+]2C(C)(C)C)cc1 ZINC000616656445 400193795 /nfs/dbraw/zinc/19/37/95/400193795.db2.gz VPFMWZMAVKNSDU-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO CCOC(=O)c1cccc([C@@H]2COCC[N@@H+](C(C)(C)C)C2)c1 ZINC000616659952 400195415 /nfs/dbraw/zinc/19/54/15/400195415.db2.gz HFXRDUAUEJWXJG-INIZCTEOSA-N 1 0 305.418 3.078 10 0 DGAERO c1ccc(C[N@@H+]2CCOC[C@H](c3cccc4ccnnc43)C2)cc1 ZINC000616659328 400195575 /nfs/dbraw/zinc/19/55/75/400195575.db2.gz PZTJBQXHVGKCCN-GOSISDBHSA-N 1 0 319.408 3.246 10 0 DGAERO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616662892 400196795 /nfs/dbraw/zinc/19/67/95/400196795.db2.gz LDSZJXHYWPITND-MRXNPFEDSA-N 1 0 320.433 3.102 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1cccc2nnccc21 ZINC000616667694 400196987 /nfs/dbraw/zinc/19/69/87/400196987.db2.gz FMZZDYGJLLJODO-LJQANCHMSA-N 1 0 304.397 3.082 10 0 DGAERO [NH3+]CCN1C[C@H](c2cnc3ccccc3c2)Cc2ccccc21 ZINC000616674117 400198725 /nfs/dbraw/zinc/19/87/25/400198725.db2.gz XOUDDJCIGOVRHC-GOSISDBHSA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cc3ccccc3cn2)Cc2ccccc21 ZINC000616672376 400199367 /nfs/dbraw/zinc/19/93/67/400199367.db2.gz NJQCEVSCHBJCPY-SFHVURJKSA-N 1 0 303.409 3.340 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1ccc2ccncc2c1 ZINC000616678872 400200610 /nfs/dbraw/zinc/20/06/10/400200610.db2.gz NVGXYKMUSZLPNT-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1nccc2ccccc21 ZINC000616678833 400200620 /nfs/dbraw/zinc/20/06/20/400200620.db2.gz NAMZBTJCOBLFOW-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO CCOC(=O)c1cccc([C@@H]2CC[N@@H+](C(C)(C)C)CCO2)c1 ZINC000616686975 400203865 /nfs/dbraw/zinc/20/38/65/400203865.db2.gz NQZVXCYKYVJVTB-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CC[N@H+](C)CCO1 ZINC000616687461 400204315 /nfs/dbraw/zinc/20/43/15/400204315.db2.gz ZIDWYAXISXIXDK-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccsc1Br ZINC000388519416 400267885 /nfs/dbraw/zinc/26/78/85/400267885.db2.gz WHHKFJKEOGLKEI-ONGXEEELSA-N 1 0 304.253 3.151 10 0 DGAERO CC[N@H+](CCNCc1ccsc1Br)C1CC1 ZINC000388880744 400268165 /nfs/dbraw/zinc/26/81/65/400268165.db2.gz ICHSXYDJSUJXQC-UHFFFAOYSA-N 1 0 303.269 3.085 10 0 DGAERO COCCOCCCC[NH2+]Cc1ccsc1Br ZINC000388871187 400268186 /nfs/dbraw/zinc/26/81/86/400268186.db2.gz BPRGPPRJRWZCIK-UHFFFAOYSA-N 1 0 322.268 3.043 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000095089069 400273550 /nfs/dbraw/zinc/27/35/50/400273550.db2.gz WRHTYBYRDPHKIU-UONOGXRCSA-N 1 0 307.438 3.312 10 0 DGAERO C[NH+](C)[C@H]1CCN(Cc2ccc(NC3CCCCC3)c(N)c2)C1 ZINC000095931828 400274575 /nfs/dbraw/zinc/27/45/75/400274575.db2.gz YUKOCXNSGBJCOU-KRWDZBQOSA-N 1 0 316.493 3.149 10 0 DGAERO Cc1cc(C#N)cc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000393837590 400279952 /nfs/dbraw/zinc/27/99/52/400279952.db2.gz RNOSDYMGHJMFIC-UHFFFAOYSA-N 1 0 320.440 3.363 10 0 DGAERO Cc1noc(C)c1C[N@@H+]1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000097941079 400288241 /nfs/dbraw/zinc/28/82/41/400288241.db2.gz LKOUGKNOJJMMKW-OAHLLOKOSA-N 1 0 324.384 3.331 10 0 DGAERO OCCC[N@H+](CCOc1c(Cl)cccc1Cl)C1CC1 ZINC000404388776 400295684 /nfs/dbraw/zinc/29/56/84/400295684.db2.gz WJZVDHJBCWBISE-UHFFFAOYSA-N 1 0 304.217 3.219 10 0 DGAERO COc1ccc([C@@H]2[C@H]3C[N@H+](C)C[C@@H]3CN2Cc2ccccc2)cc1 ZINC000409430798 400301236 /nfs/dbraw/zinc/30/12/36/400301236.db2.gz NGGDENQKQQBPEO-HLAWJBBLSA-N 1 0 322.452 3.430 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C)[nH]c1C ZINC000589553372 400305155 /nfs/dbraw/zinc/30/51/55/400305155.db2.gz KKUHSCRHTWRSNS-UHFFFAOYSA-N 1 0 313.445 3.355 10 0 DGAERO c1cnn(-c2ccccc2C[NH2+]Cc2[nH]nc3ccccc32)c1 ZINC000589646638 400318422 /nfs/dbraw/zinc/31/84/22/400318422.db2.gz FUVMGWSMUQGHEW-UHFFFAOYSA-N 1 0 303.369 3.038 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105124913 400319885 /nfs/dbraw/zinc/31/98/85/400319885.db2.gz RZGZBGWUTMWNNR-HNNXBMFYSA-N 1 0 321.465 3.464 10 0 DGAERO [NH3+]CC[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21 ZINC000113550640 400380295 /nfs/dbraw/zinc/38/02/95/400380295.db2.gz LITMVMQZVLEKEX-AWEZNQCLSA-N 1 0 315.438 3.288 10 0 DGAERO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1ccc(Cl)cn1 ZINC000113977675 400384207 /nfs/dbraw/zinc/38/42/07/400384207.db2.gz VENICJGXTDHWPX-GFCCVEGCSA-N 1 0 301.777 3.064 10 0 DGAERO COc1cc(N)cc(Cl)c1OCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000033882200 400384701 /nfs/dbraw/zinc/38/47/01/400384701.db2.gz LGCOQOVCNSXNJV-GFCCVEGCSA-N 1 0 312.841 3.432 10 0 DGAERO [NH3+]CC[C@H]1CCCc2ccc(S(=O)(=O)c3ccccc3)cc21 ZINC000035978224 400389255 /nfs/dbraw/zinc/38/92/55/400389255.db2.gz TYOOZUGUCZLUBH-OAHLLOKOSA-N 1 0 315.438 3.288 10 0 DGAERO C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)c2ccccc21 ZINC000106907457 400332956 /nfs/dbraw/zinc/33/29/56/400332956.db2.gz VHVLEFRGURIIGB-BEFAXECRSA-N 1 0 308.425 3.310 10 0 DGAERO CCC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000590042908 400349601 /nfs/dbraw/zinc/34/96/01/400349601.db2.gz CUUXYQVPZSIGCW-ZWKOTPCHSA-N 1 0 302.462 3.388 10 0 DGAERO Cc1c2cc(I)ccc2oc1[C@@H](C)[NH3+] ZINC000036928755 400392719 /nfs/dbraw/zinc/39/27/19/400392719.db2.gz BCMFGIDFQVZOMR-SSDOTTSWSA-N 1 0 301.127 3.366 10 0 DGAERO C[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000070869997 400359525 /nfs/dbraw/zinc/35/95/25/400359525.db2.gz ISWADWMSNAWGED-ZBFHGGJFSA-N 1 0 317.454 3.245 10 0 DGAERO O[C@H](C[NH2+]Cc1ccccc1)c1ccc(Br)cc1 ZINC000032204743 400360902 /nfs/dbraw/zinc/36/09/02/400360902.db2.gz GZFWXAXTKVREAA-OAHLLOKOSA-N 1 0 306.203 3.272 10 0 DGAERO O=C(Nc1ccccc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917457 400395122 /nfs/dbraw/zinc/39/51/22/400395122.db2.gz VQJBWXOHDDAXAO-JSGCOSHPSA-N 1 0 307.825 3.336 10 0 DGAERO CC[N@H+](CCNC(=O)Nc1cc(F)ccc1OC(C)C)C1CC1 ZINC000111749386 400368374 /nfs/dbraw/zinc/36/83/74/400368374.db2.gz RQBGEVUKADFMHD-UHFFFAOYSA-N 1 0 323.412 3.219 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C(C)(C)C)c1ccco1 ZINC000112446990 400373539 /nfs/dbraw/zinc/37/35/39/400373539.db2.gz NGSSUVBQTJWQDP-ZIAGYGMSSA-N 1 0 309.454 3.396 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000611405458 400394074 /nfs/dbraw/zinc/39/40/74/400394074.db2.gz DZYKDNHMEAVSAZ-LBPRGKRZSA-N 1 0 303.324 3.469 10 0 DGAERO CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116788879 400413118 /nfs/dbraw/zinc/41/31/18/400413118.db2.gz RPQIBLKKUHVEEL-ZWKOTPCHSA-N 1 0 324.509 3.018 10 0 DGAERO CCCC[C@H](CC)C[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@H]23 ZINC000039287537 400398228 /nfs/dbraw/zinc/39/82/28/400398228.db2.gz PPBZFSFNWRZFET-BXWFABGCSA-N 1 0 314.473 3.446 10 0 DGAERO COc1ccc(C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)c(F)c1 ZINC000117721060 400421413 /nfs/dbraw/zinc/42/14/13/400421413.db2.gz WBOGHEVFNGVPKS-CYBMUJFWSA-N 1 0 314.360 3.164 10 0 DGAERO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cccc(Cl)c1 ZINC000117714471 400421421 /nfs/dbraw/zinc/42/14/21/400421421.db2.gz MQSOIIOESHSLCV-MRXNPFEDSA-N 1 0 316.788 3.253 10 0 DGAERO O=C(Nc1ccc([C@@H]2CCC[NH2+]C2)cc1)c1ccc(Cl)cn1 ZINC000117720197 400421450 /nfs/dbraw/zinc/42/14/50/400421450.db2.gz FUSOYBOVDDVOIU-CYBMUJFWSA-N 1 0 315.804 3.454 10 0 DGAERO Cc1cc(NCC2(O)CCCCCC2)nc(-c2ccncc2)n1 ZINC000117867080 400422333 /nfs/dbraw/zinc/42/23/33/400422333.db2.gz RIPSUCDEIOOBNX-UHFFFAOYSA-N 1 0 312.417 3.344 10 0 DGAERO Cc1noc([C@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000590819092 400441829 /nfs/dbraw/zinc/44/18/29/400441829.db2.gz JBWRAKHTXPSJSJ-HOCLYGCPSA-N 1 0 306.454 3.027 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccccc2Cl)[C@H](C)C1 ZINC000122637544 400462368 /nfs/dbraw/zinc/46/23/68/400462368.db2.gz GINRTQRZDFEZPG-PBHICJAKSA-N 1 0 322.880 3.461 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000074498913 400515242 /nfs/dbraw/zinc/51/52/42/400515242.db2.gz XQOYSTNLXRZQSR-WMZOPIPTSA-N 1 0 317.477 3.052 10 0 DGAERO CCc1sc(NC(=O)[C@@H]2CC[N@H+](C)C2)nc1-c1ccccc1 ZINC000591439279 400525160 /nfs/dbraw/zinc/52/51/60/400525160.db2.gz KMXNXDOCRFOIQZ-CYBMUJFWSA-N 1 0 315.442 3.263 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2c(C)noc2C2CC2)CC1 ZINC000129326349 400525216 /nfs/dbraw/zinc/52/52/16/400525216.db2.gz PFJPVDDIHJBPDR-UHFFFAOYSA-N 1 0 320.437 3.104 10 0 DGAERO CSCCCC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000129412520 400525671 /nfs/dbraw/zinc/52/56/71/400525671.db2.gz PLDFBIWOIHSEFD-OAHLLOKOSA-N 1 0 300.512 3.002 10 0 DGAERO CC[NH+](CC)CCSCC(=O)NC1(C)CCC(F)(F)CC1 ZINC000612335463 400527193 /nfs/dbraw/zinc/52/71/93/400527193.db2.gz UPAUTLAYXZRMBT-UHFFFAOYSA-N 1 0 322.465 3.146 10 0 DGAERO C[C@@H]1C[C@@H](c2ncc(Br)cc2Br)C[NH2+]1 ZINC000130125607 400534197 /nfs/dbraw/zinc/53/41/97/400534197.db2.gz CLMJVHAXIXFOSM-RNFRBKRXSA-N 1 0 320.028 3.072 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ncc(-c2ccccc2)s1 ZINC000140469003 400618827 /nfs/dbraw/zinc/61/88/27/400618827.db2.gz RPQMNRQUJASBKJ-ZDUSSCGKSA-N 1 0 316.430 3.026 10 0 DGAERO C[C@@H]1CC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000358018641 285946382 /nfs/dbraw/zinc/94/63/82/285946382.db2.gz QIPWZVLUXRFPBC-HZPDHXFCSA-N 1 0 300.446 3.448 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000075977751 400624803 /nfs/dbraw/zinc/62/48/03/400624803.db2.gz NUBXKHBHOTZGSH-MAUKXSAKSA-N 1 0 315.461 3.126 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000075981822 400625499 /nfs/dbraw/zinc/62/54/99/400625499.db2.gz MHCKMYCNAAQXLP-QAPCUYQASA-N 1 0 315.461 3.126 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCC[N@H+](C)C(C)C ZINC000592311395 400633743 /nfs/dbraw/zinc/63/37/43/400633743.db2.gz HJSLMPSMUUOQSK-QGZVFWFLSA-N 1 0 320.477 3.424 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCCCC[NH+](C)C ZINC000592315699 400634484 /nfs/dbraw/zinc/63/44/84/400634484.db2.gz XWQGYSOQJULIAI-QGZVFWFLSA-N 1 0 320.477 3.425 10 0 DGAERO Cc1ccc(NC(=O)NCc2ccccc2C[NH+](C)C)s1 ZINC000075408060 400584279 /nfs/dbraw/zinc/58/42/79/400584279.db2.gz UXLHPRPIWJFHLZ-UHFFFAOYSA-N 1 0 303.431 3.440 10 0 DGAERO c1cn([C@H]2CCC[N@@H+](CCSC3CCCCC3)CC2)nn1 ZINC000602894099 400600540 /nfs/dbraw/zinc/60/05/40/400600540.db2.gz YNEGMUNURKYWTQ-HNNXBMFYSA-N 1 0 308.495 3.371 10 0 DGAERO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C)[nH]c2C)CC1 ZINC000603283032 400664638 /nfs/dbraw/zinc/66/46/38/400664638.db2.gz XQHSYCXCESFTOZ-UHFFFAOYSA-N 1 0 305.466 3.216 10 0 DGAERO N#Cc1cccc(CO[C@@H]2C[NH2+]C[C@@H](Cc3ccccc3)C2)c1 ZINC000149632409 400660767 /nfs/dbraw/zinc/66/07/67/400660767.db2.gz ZSPZMNSDGUCQOM-PMACEKPBSA-N 1 0 306.409 3.296 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)c2cccc(C)c2)C1 ZINC000152427945 400679414 /nfs/dbraw/zinc/67/94/14/400679414.db2.gz LALKZNKBBSAEGQ-MRXNPFEDSA-N 1 0 303.450 3.014 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000077001405 400685024 /nfs/dbraw/zinc/68/50/24/400685024.db2.gz KEHGOPJPIIZKPH-ZWKOTPCHSA-N 1 0 302.462 3.370 10 0 DGAERO c1ccc(-c2noc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)n2)nc1 ZINC000603967817 400738865 /nfs/dbraw/zinc/73/88/65/400738865.db2.gz GFNHPNNXDDVVNQ-SFHVURJKSA-N 1 0 310.401 3.454 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000162220172 400744177 /nfs/dbraw/zinc/74/41/77/400744177.db2.gz TVJMIBORTKWYRY-KBAYOESNSA-N 1 0 306.494 3.439 10 0 DGAERO CC[N@@H+](CC(=O)c1c(C)[nH]c2ccccc21)C[C@H]1CCOC1 ZINC000604053403 400744809 /nfs/dbraw/zinc/74/48/09/400744809.db2.gz QSXUQLZGEUOJIJ-CQSZACIVSA-N 1 0 300.402 3.017 10 0 DGAERO CC1CC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000163699675 400748734 /nfs/dbraw/zinc/74/87/34/400748734.db2.gz FKCHXJNTGHDKJL-ILDUYXDCSA-N 1 0 304.217 3.121 10 0 DGAERO CC[C@H](NC(=O)NCC[NH+](C(C)C)C(C)C)c1nccs1 ZINC000155107901 400700342 /nfs/dbraw/zinc/70/03/42/400700342.db2.gz SVYHERAGGUCAGC-ZDUSSCGKSA-N 1 0 312.483 3.012 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000155143035 400700521 /nfs/dbraw/zinc/70/05/21/400700521.db2.gz SYRVFPPZVYXWGN-UGSOOPFHSA-N 1 0 310.397 3.220 10 0 DGAERO OCC[C@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000051895855 400709080 /nfs/dbraw/zinc/70/90/80/400709080.db2.gz VICSFFJAJAQEBW-GFCCVEGCSA-N 1 0 318.244 3.467 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)CCC(=O)NC2CCCC2)cc1 ZINC000156821577 400713648 /nfs/dbraw/zinc/71/36/48/400713648.db2.gz KCAHFCVHDDQNOB-INIZCTEOSA-N 1 0 302.462 3.307 10 0 DGAERO CC(C)N(C)c1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000171756074 400804948 /nfs/dbraw/zinc/80/49/48/400804948.db2.gz SHRLUEDXEYOUPU-UHFFFAOYSA-N 1 0 318.465 3.089 10 0 DGAERO CC(C)[C@@H]([NH3+])c1nc2sccc2c(=O)n1Cc1ccccc1 ZINC000168627273 400758384 /nfs/dbraw/zinc/75/83/84/400758384.db2.gz FFRFKIPUVPQMGE-CQSZACIVSA-N 1 0 313.426 3.162 10 0 DGAERO CC[C@H](C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000172290908 400819014 /nfs/dbraw/zinc/81/90/14/400819014.db2.gz JBUHWVHEAWYTJM-JQHSSLGASA-N 1 0 302.462 3.417 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000170826301 400776741 /nfs/dbraw/zinc/77/67/41/400776741.db2.gz FRGJFKAHJRQDFJ-HOTGVXAUSA-N 1 0 321.852 3.137 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170862318 400778135 /nfs/dbraw/zinc/77/81/35/400778135.db2.gz MELGZRPALXLNAO-QAPCUYQASA-N 1 0 317.477 3.292 10 0 DGAERO c1ccc(-c2ccccc2OCC[NH2+]Cc2cncnc2)cc1 ZINC000171132088 400786349 /nfs/dbraw/zinc/78/63/49/400786349.db2.gz XNYHVBRPXIUZQL-UHFFFAOYSA-N 1 0 305.381 3.312 10 0 DGAERO [NH3+]CCC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000053705643 400795910 /nfs/dbraw/zinc/79/59/10/400795910.db2.gz ZEMKRIXETWXVRL-UHFFFAOYSA-N 1 0 307.747 3.319 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516439 400871962 /nfs/dbraw/zinc/87/19/62/400871962.db2.gz LHJQWHBMOQARSE-CQSZACIVSA-N 1 0 301.217 3.094 10 0 DGAERO CC1(C)C[C@H]1[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000605593296 400878986 /nfs/dbraw/zinc/87/89/86/400878986.db2.gz MIJPMXAQANKNPZ-GFCCVEGCSA-N 1 0 311.223 3.166 10 0 DGAERO CC1CCC([NH+]2CCN(C(=O)NCCCC3CC3)CC2)CC1 ZINC000605607115 400880395 /nfs/dbraw/zinc/88/03/95/400880395.db2.gz CNWUZLNZOVICLB-UHFFFAOYSA-N 1 0 307.482 3.083 10 0 DGAERO CC[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C)cc1 ZINC000172349681 400822730 /nfs/dbraw/zinc/82/27/30/400822730.db2.gz MHDUCQNXCZYBDV-FUHWJXTLSA-N 1 0 300.446 3.185 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000605141139 400841880 /nfs/dbraw/zinc/84/18/80/400841880.db2.gz IIKFXRZYCQQPRN-IRXDYDNUSA-N 1 0 318.486 3.178 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000358143612 285981086 /nfs/dbraw/zinc/98/10/86/285981086.db2.gz SVPUUNPTWRUJMT-UHFFFAOYSA-N 1 0 314.351 3.169 10 0 DGAERO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2C[C@@H]2C)cc1 ZINC000605339642 400853910 /nfs/dbraw/zinc/85/39/10/400853910.db2.gz CHTSFTMDNHMGCD-GJZGRUSLSA-N 1 0 319.449 3.185 10 0 DGAERO CC(C)C1CCC([NH2+][C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000174361873 400856143 /nfs/dbraw/zinc/85/61/43/400856143.db2.gz KBPXDWCLUKBTOJ-OFLPRAFFSA-N 1 0 302.466 3.250 10 0 DGAERO CC(C)C1CCC([NH2+][C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000174361886 400856947 /nfs/dbraw/zinc/85/69/47/400856947.db2.gz KBPXDWCLUKBTOJ-JCYILVPMSA-N 1 0 302.466 3.250 10 0 DGAERO CCc1cc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)n[nH]1 ZINC000175714052 400868530 /nfs/dbraw/zinc/86/85/30/400868530.db2.gz UMXMUUBVDMQZOL-UHFFFAOYSA-N 1 0 312.373 3.032 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000606700874 400950086 /nfs/dbraw/zinc/95/00/86/400950086.db2.gz RIAWGCOBGDWWSB-HOTGVXAUSA-N 1 0 317.477 3.128 10 0 DGAERO Cc1cc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c(C)[nH]1 ZINC000606328382 400899586 /nfs/dbraw/zinc/89/95/86/400899586.db2.gz WHVWGYYKQIANNK-UHFFFAOYSA-N 1 0 315.417 3.133 10 0 DGAERO C[NH+](C)C1(CNC(=O)CC/C=C/c2ccccc2)CCCC1 ZINC000606353230 400901137 /nfs/dbraw/zinc/90/11/37/400901137.db2.gz SKVUVAZTZSMDIB-WUXMJOGZSA-N 1 0 300.446 3.471 10 0 DGAERO O=C(CC/C=C\c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000606346208 400901154 /nfs/dbraw/zinc/90/11/54/400901154.db2.gz FBLYVPTZBOUMKO-YWEYNIOJSA-N 1 0 321.424 3.224 10 0 DGAERO Cc1ccc([C@H](CNc2cc[nH+]cc2C)N2CCOCC2)s1 ZINC000191980757 400913952 /nfs/dbraw/zinc/91/39/52/400913952.db2.gz WNDQHTHYNLMZDN-INIZCTEOSA-N 1 0 317.458 3.245 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCCc2occc21 ZINC000193059682 400916382 /nfs/dbraw/zinc/91/63/82/400916382.db2.gz OYDQWDMQNBKCBJ-CXAGYDPISA-N 1 0 323.396 3.045 10 0 DGAERO [O-][N+]1=CC(c2ccc(-c3ccccc3)cc2)=[N+](O)[C@H]2CCCC[C@H]21 ZINC000225404708 400956662 /nfs/dbraw/zinc/95/66/62/400956662.db2.gz GHHTWYOGPBJXAH-MOPGFXCFSA-N 1 0 322.408 3.342 10 0 DGAERO COc1cc(F)ccc1-c1ccnc2[nH]c([C@H]3CC[NH2+]C3)cc21 ZINC000226073125 400960823 /nfs/dbraw/zinc/96/08/23/400960823.db2.gz WCJPJSLFJFGFFZ-NSHDSACASA-N 1 0 311.360 3.455 10 0 DGAERO [NH3+]C[C@@H]1C[C@@H]1c1cc(Br)c(Br)s1 ZINC000227955289 400963569 /nfs/dbraw/zinc/96/35/69/400963569.db2.gz ZAEBCWYFRWWGED-WHFBIAKZSA-N 1 0 311.042 3.335 10 0 DGAERO CCc1sc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1C ZINC000247310498 401051349 /nfs/dbraw/zinc/05/13/49/401051349.db2.gz HLDDNZSHHZLQHQ-ZIAGYGMSSA-N 1 0 308.491 3.421 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc(-c2ccccc2)o1 ZINC000607364501 401052648 /nfs/dbraw/zinc/05/26/48/401052648.db2.gz JRWKVIWHCBVALX-MHEUCROKSA-N 1 0 313.401 3.201 10 0 DGAERO CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246187937 401022064 /nfs/dbraw/zinc/02/20/64/401022064.db2.gz LMJFQZUAFJSRHT-OALUTQOASA-N 1 0 314.473 3.198 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000246199530 401023520 /nfs/dbraw/zinc/02/35/20/401023520.db2.gz LEKFKLKLGQVTEY-VKJFTORMSA-N 1 0 315.461 3.126 10 0 DGAERO C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000249325628 401083411 /nfs/dbraw/zinc/08/34/11/401083411.db2.gz NLHSDORIYCRONF-CHWSQXEVSA-N 1 0 322.474 3.465 10 0 DGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000607652574 401101216 /nfs/dbraw/zinc/10/12/16/401101216.db2.gz XIXCEAAHAJGJMY-YCPHGPKFSA-N 1 0 322.399 3.059 10 0 DGAERO c1ccc([C@H]2CCCC[C@H]2[NH2+]CCOC2CCOCC2)cc1 ZINC000625334577 401103447 /nfs/dbraw/zinc/10/34/47/401103447.db2.gz RWNGDIUIPNJQRM-RTBURBONSA-N 1 0 303.446 3.498 10 0 DGAERO CCO[C@H](CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CCCC1 ZINC000262458156 401117945 /nfs/dbraw/zinc/11/79/45/401117945.db2.gz JARSECBOYZYHRF-ZJPYXAASSA-N 1 0 322.493 3.009 10 0 DGAERO CCS[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262481344 401118004 /nfs/dbraw/zinc/11/80/04/401118004.db2.gz RWCCOUKSIFCSPO-LEOABGAYSA-N 1 0 310.507 3.088 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000262619342 401118751 /nfs/dbraw/zinc/11/87/51/401118751.db2.gz IROLSHRIUQCVTC-SOLBZPMBSA-N 1 0 300.446 3.130 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000262622296 401119753 /nfs/dbraw/zinc/11/97/53/401119753.db2.gz OJZNUPWOEQIWKQ-RDBSUJKOSA-N 1 0 322.424 3.037 10 0 DGAERO c1ccc([C@H]2C[N@@H+](CCOC3CCOCC3)CC23CCC3)cc1 ZINC000625470794 401138579 /nfs/dbraw/zinc/13/85/79/401138579.db2.gz LKJVCEMFOOLRCS-LJQANCHMSA-N 1 0 315.457 3.452 10 0 DGAERO C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccco1 ZINC000607643221 401099775 /nfs/dbraw/zinc/09/97/75/401099775.db2.gz UUWRKIOFSRLISX-IRXDYDNUSA-N 1 0 318.461 3.498 10 0 DGAERO CC1(C)C[C@H]([NH2+]CC[C@H]2COc3ccccc3O2)C(C)(C)O1 ZINC000358287137 286020919 /nfs/dbraw/zinc/02/09/19/286020919.db2.gz IVRXMMCVYQOEOT-BBRMVZONSA-N 1 0 305.418 3.152 10 0 DGAERO c1cc(C[NH2+]CC[C@@H]2CCCCO2)n(CCc2ccccc2)n1 ZINC000621343821 401177016 /nfs/dbraw/zinc/17/70/16/401177016.db2.gz RZLYLIUHXWBKQN-IBGZPJMESA-N 1 0 313.445 3.175 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)C2)cc1 ZINC000630074216 401176273 /nfs/dbraw/zinc/17/62/73/401176273.db2.gz GWPPOPQOHIUZRD-UXPWSPDFSA-N 1 0 314.473 3.450 10 0 DGAERO Oc1cccc(C[NH2+]CC[C@H]2CC2(F)F)c1Br ZINC000621375730 401190668 /nfs/dbraw/zinc/19/06/68/401190668.db2.gz CLSKBPSEYBCLBG-VIFPVBQESA-N 1 0 306.150 3.290 10 0 DGAERO Oc1cccc(C[NH2+]CC[C@@H]2CC2(F)F)c1Br ZINC000621375729 401190899 /nfs/dbraw/zinc/19/08/99/401190899.db2.gz CLSKBPSEYBCLBG-SECBINFHSA-N 1 0 306.150 3.290 10 0 DGAERO CCOCCC1(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCC1 ZINC000121034838 286040188 /nfs/dbraw/zinc/04/01/88/286040188.db2.gz UDJZMJYMYMKGPK-KRWDZBQOSA-N 1 0 322.493 3.060 10 0 DGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(C)[nH]c2C)C1 ZINC000600429272 401248037 /nfs/dbraw/zinc/24/80/37/401248037.db2.gz UHVQRFLKTJBDMP-OAHLLOKOSA-N 1 0 305.466 3.262 10 0 DGAERO c1cc(-c2cn([C@H]3CC[N@@H+](Cc4ccccc4)C3)nn2)cs1 ZINC000630591322 401293259 /nfs/dbraw/zinc/29/32/59/401293259.db2.gz CYKIJBSQPPMJLC-INIZCTEOSA-N 1 0 310.426 3.454 10 0 DGAERO c1c(-c2ccccc2-c2ccccc2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630606080 401296708 /nfs/dbraw/zinc/29/67/08/401296708.db2.gz RWKLMVNXMMFOKW-MRXNPFEDSA-N 1 0 304.397 3.364 10 0 DGAERO c1c(-c2ccccc2-c2ccccc2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630606079 401296873 /nfs/dbraw/zinc/29/68/73/401296873.db2.gz RWKLMVNXMMFOKW-INIZCTEOSA-N 1 0 304.397 3.364 10 0 DGAERO c1ccc(CN2CCC([NH2+][C@H](c3cccnc3)C3CC3)CC2)nc1 ZINC000358371845 286043901 /nfs/dbraw/zinc/04/39/01/286043901.db2.gz AWIGSDSRBLJELG-FQEVSTJZSA-N 1 0 322.456 3.182 10 0 DGAERO c1cnc2cc(C[NH2+]C[C@@H]3CCN3C3CCCCC3)ccc2n1 ZINC000634986959 401395839 /nfs/dbraw/zinc/39/58/39/401395839.db2.gz IQXDYMIFVGEYLS-KRWDZBQOSA-N 1 0 310.445 3.126 10 0 DGAERO Brc1ccc([C@@H]2CCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634992607 401397451 /nfs/dbraw/zinc/39/74/51/401397451.db2.gz VLULJPWMMJLTKC-NRAUKZCXSA-N 1 0 321.262 3.338 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]Cc3cncs3)[C@H]21 ZINC000631190748 401420343 /nfs/dbraw/zinc/42/03/43/401420343.db2.gz CPTATYYDMJLEHE-IACUBPJLSA-N 1 0 321.243 3.334 10 0 DGAERO C([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1nc2c(s1)CCC2 ZINC000631245556 401436590 /nfs/dbraw/zinc/43/65/90/401436590.db2.gz OAXWLTQRRBBFDA-HNNXBMFYSA-N 1 0 306.475 3.461 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000123504654 292192366 /nfs/dbraw/zinc/19/23/66/292192366.db2.gz IVLFFEXQDJKVSI-MRXNPFEDSA-N 1 0 315.461 3.326 10 0 DGAERO CCC1([NH+](C)C)CCN(c2ccc(Br)cn2)CC1 ZINC000631477810 401477648 /nfs/dbraw/zinc/47/76/48/401477648.db2.gz SVLGQFXKOTWLES-UHFFFAOYSA-N 1 0 312.255 3.155 10 0 DGAERO Brc1sccc1CN[C@H]1CC[N@H+](CC2CC2)C1 ZINC000623410402 401510355 /nfs/dbraw/zinc/51/03/55/401510355.db2.gz NKDICUBXBJUZBE-LBPRGKRZSA-N 1 0 315.280 3.085 10 0 DGAERO c1ccc2c(CC[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)noc2c1 ZINC000631644713 401522619 /nfs/dbraw/zinc/52/26/19/401522619.db2.gz IQIOAMXXVYFDCL-WBAXXEDZSA-N 1 0 312.413 3.308 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1C ZINC000631887008 401563751 /nfs/dbraw/zinc/56/37/51/401563751.db2.gz NTMCRDOUCRKNLP-IEBWSBKVSA-N 1 0 314.473 3.388 10 0 DGAERO c1sc(C2CCCC2)nc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889709 401564768 /nfs/dbraw/zinc/56/47/68/401564768.db2.gz LWWQFXMKDJXGTA-GDBMZVCRSA-N 1 0 305.491 3.375 10 0 DGAERO Cc1nc(C)c(CNCC2([N@H+](C)Cc3ccccc3)CCC2)o1 ZINC000628298901 401570640 /nfs/dbraw/zinc/57/06/40/401570640.db2.gz VVBXSYVKOCSLIO-UHFFFAOYSA-N 1 0 313.445 3.436 10 0 DGAERO c1cc(COc2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)ccn1 ZINC000623752719 401576140 /nfs/dbraw/zinc/57/61/40/401576140.db2.gz KCNNEYAXHMRERE-UYAOXDASSA-N 1 0 324.424 3.318 10 0 DGAERO c1ccc(OCc2ccncc2)c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000623753408 401576277 /nfs/dbraw/zinc/57/62/77/401576277.db2.gz YKUYCBSJDQICMD-QUCCMNQESA-N 1 0 324.424 3.318 10 0 DGAERO c1cc(Sc2ccccn2)oc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000623755022 401576326 /nfs/dbraw/zinc/57/63/26/401576326.db2.gz XNUXLXNSTKNPIY-DZGCQCFKSA-N 1 0 316.426 3.483 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000623823987 401583519 /nfs/dbraw/zinc/58/35/19/401583519.db2.gz RSXVGHPVUUQHIU-GSJFWJNXSA-N 1 0 302.187 3.103 10 0 DGAERO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c2c(c1)COCC2 ZINC000631729836 401545534 /nfs/dbraw/zinc/54/55/34/401545534.db2.gz SJDVEZIAXLIRMP-IPMKNSEASA-N 1 0 313.441 3.197 10 0 DGAERO OC(C[NH2+]Cc1ccsc1Br)(C1CC1)C1CC1 ZINC000623570669 401549009 /nfs/dbraw/zinc/54/90/09/401549009.db2.gz ACMVIBSTXPUPDA-UHFFFAOYSA-N 1 0 316.264 3.151 10 0 DGAERO c1ccc(N2CCC([NH2+]C[C@@H]3Cc4ccccc4CO3)CC2)cc1 ZINC000623602555 401554095 /nfs/dbraw/zinc/55/40/95/401554095.db2.gz VSLIVHLAVXKKTN-NRFANRHFSA-N 1 0 322.452 3.387 10 0 DGAERO c1ccc2c(c1)ccnc2C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623602381 401554334 /nfs/dbraw/zinc/55/43/34/401554334.db2.gz NLPJWYMKEHXIJF-SFHVURJKSA-N 1 0 304.393 3.466 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000624308685 401649131 /nfs/dbraw/zinc/64/91/31/401649131.db2.gz UNMJEUZGOMBQQY-RIEGTJTDSA-N 1 0 310.235 3.451 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCCC13CCOCC3)C2 ZINC000624055731 401619684 /nfs/dbraw/zinc/61/96/84/401619684.db2.gz NUYUSFSFVWJBDF-ZWKOTPCHSA-N 1 0 301.430 3.067 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@H]1CCCC13CCOCC3)C2 ZINC000624055730 401619852 /nfs/dbraw/zinc/61/98/52/401619852.db2.gz NUYUSFSFVWJBDF-ROUUACIJSA-N 1 0 301.430 3.067 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000624311781 401649448 /nfs/dbraw/zinc/64/94/48/401649448.db2.gz AOHUWLBTENYCBY-RIEGTJTDSA-N 1 0 310.235 3.451 10 0 DGAERO Cc1scc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000358556924 286092673 /nfs/dbraw/zinc/09/26/73/286092673.db2.gz VOCUKPJJSUNIIV-BETUJISGSA-N 1 0 308.491 3.463 10 0 DGAERO Cc1scc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000358556931 286092695 /nfs/dbraw/zinc/09/26/95/286092695.db2.gz VOCUKPJJSUNIIV-STQMWFEESA-N 1 0 308.491 3.463 10 0 DGAERO Cc1nc(NC2CC[NH+](C(C)C)CC2)cc(-c2cccnc2)n1 ZINC000624496898 401665707 /nfs/dbraw/zinc/66/57/07/401665707.db2.gz CTNVLEIBSKRJGM-UHFFFAOYSA-N 1 0 311.433 3.132 10 0 DGAERO C[C@H](CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1)[NH+](C)C ZINC000358773649 286150434 /nfs/dbraw/zinc/15/04/34/286150434.db2.gz QHECAOSZSFPUOU-LLVKDONJSA-N 1 0 302.447 3.003 10 0 DGAERO CCOc1ccccc1-c1nnc(SC[C@@H](C)[NH+](C)C)o1 ZINC000358855152 286170267 /nfs/dbraw/zinc/17/02/67/286170267.db2.gz QLYAVJMWXQNEKQ-LLVKDONJSA-N 1 0 307.419 3.178 10 0 DGAERO C[C@@H](CSc1nnc(-c2ccccc2F)n1C1CC1)[NH+](C)C ZINC000358853968 286170152 /nfs/dbraw/zinc/17/01/52/286170152.db2.gz NKSMLNQOGKAYSB-NSHDSACASA-N 1 0 320.437 3.461 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000358919878 286187667 /nfs/dbraw/zinc/18/76/67/286187667.db2.gz YQUQZDODJUBWCN-MAUKXSAKSA-N 1 0 311.429 3.266 10 0 DGAERO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000262594188 292237120 /nfs/dbraw/zinc/23/71/20/292237120.db2.gz WUSPQLBOGMQARX-DAYGRLMNSA-N 1 0 300.446 3.150 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(C(CC)CC)no1 ZINC000359430851 286307189 /nfs/dbraw/zinc/30/71/89/286307189.db2.gz UTBFEMAXGZIDNP-MRXNPFEDSA-N 1 0 307.438 3.069 10 0 DGAERO CC[NH+](CC)CC1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000359567863 286337824 /nfs/dbraw/zinc/33/78/24/286337824.db2.gz VTPFSYZRAQFLIB-UHFFFAOYSA-N 1 0 322.400 3.115 10 0 DGAERO C[C@@H]1CC[N@H+](CCC(=O)N2CCCCC2)[C@H](c2ccco2)C1 ZINC000359614455 286347222 /nfs/dbraw/zinc/34/72/22/286347222.db2.gz ZABUFPMTRKPJIV-CVEARBPZSA-N 1 0 304.434 3.455 10 0 DGAERO C[NH+](C)[C@]1(CNC(=O)CC/C=C\c2ccccc2)CCSC1 ZINC000359678492 286359393 /nfs/dbraw/zinc/35/93/93/286359393.db2.gz PLQOZKFNRNTGDX-TWVNLXSWSA-N 1 0 318.486 3.034 10 0 DGAERO Cc1sccc1CC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000359803598 286383086 /nfs/dbraw/zinc/38/30/86/286383086.db2.gz LLOOCBMKMAZAOB-INIZCTEOSA-N 1 0 320.433 3.157 10 0 DGAERO c1ccc2c(c1)OCC[C@@H]2C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000359974662 286400520 /nfs/dbraw/zinc/40/05/20/286400520.db2.gz ASUOGSFHUDYPFL-MRXNPFEDSA-N 1 0 309.413 3.052 10 0 DGAERO COc1cccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1OC ZINC000092785707 286449784 /nfs/dbraw/zinc/44/97/84/286449784.db2.gz PIDYSPGBERLIPB-KRWDZBQOSA-N 1 0 318.461 3.154 10 0 DGAERO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)[C@@H](C)OC)CCOCC1 ZINC000360583444 286504028 /nfs/dbraw/zinc/50/40/28/286504028.db2.gz SAPMTMWDWKLYBE-JKSUJKDBSA-N 1 0 321.461 3.065 10 0 DGAERO c1cncc([C@H]([NH2+]CCc2cnc(C3CC3)nc2)C2CCC2)c1 ZINC000360644493 286513479 /nfs/dbraw/zinc/51/34/79/286513479.db2.gz ANDRUJVKVIXTRA-GOSISDBHSA-N 1 0 308.429 3.423 10 0 DGAERO c1ccc([C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c2ccccn2)cc1 ZINC000360675798 286519205 /nfs/dbraw/zinc/51/92/05/286519205.db2.gz XQINVNBRBXOEIC-YZGWKJHDSA-N 1 0 324.424 3.099 10 0 DGAERO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000360826080 286539850 /nfs/dbraw/zinc/53/98/50/286539850.db2.gz RRBZJVDQNIXMPE-ZUZCIYMTSA-N 1 0 318.244 3.432 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)CCCO2 ZINC000090178430 292353334 /nfs/dbraw/zinc/35/33/34/292353334.db2.gz RPPFZZBODSZADK-ZBFHGGJFSA-N 1 0 316.445 3.198 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)n1 ZINC000361918101 286744689 /nfs/dbraw/zinc/74/46/89/286744689.db2.gz CWRVCJMJLMMIGH-SNVBAGLBSA-N 1 0 310.319 3.401 10 0 DGAERO COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000362131229 286772109 /nfs/dbraw/zinc/77/21/09/286772109.db2.gz WGYSCWPZLGLKSN-QZTJIDSGSA-N 1 0 322.408 3.078 10 0 DGAERO CCO[C@H]1C[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1(CC)CC ZINC000362941976 286879165 /nfs/dbraw/zinc/87/91/65/286879165.db2.gz RALSHGTUZKHPGI-SJORKVTESA-N 1 0 324.509 3.161 10 0 DGAERO c1ccc2c(c1)[nH+]ccc2N1CCC(c2nnc3n2CCC3)CC1 ZINC000363265025 286908509 /nfs/dbraw/zinc/90/85/09/286908509.db2.gz WJLNDMDVVNJCEP-UHFFFAOYSA-N 1 0 319.412 3.157 10 0 DGAERO CC[NH+](CC)CCSCc1ncccc1Br ZINC000380747113 685153514 /nfs/dbraw/zinc/15/35/14/685153514.db2.gz SXEVCWGRFQGKNL-UHFFFAOYSA-N 1 0 303.269 3.419 10 0 DGAERO COC1(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000364594964 287042544 /nfs/dbraw/zinc/04/25/44/287042544.db2.gz YDBHGSRJOJSQBI-KRWDZBQOSA-N 1 0 322.493 3.060 10 0 DGAERO CN(C(=O)c1cc(F)c(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000364773929 287060399 /nfs/dbraw/zinc/06/03/99/287060399.db2.gz FRPXJNUQTICXOQ-VIFPVBQESA-N 1 0 319.207 3.347 10 0 DGAERO CC[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1cnn(C)c1 ZINC000168405656 164609653 /nfs/dbraw/zinc/60/96/53/164609653.db2.gz SMRCTEQTCOAKDA-HNNXBMFYSA-N 1 0 304.463 3.191 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@H](C)CCc2ccccc2)CC1 ZINC000171644020 164633704 /nfs/dbraw/zinc/63/37/04/164633704.db2.gz MARQIQIXQSZSNC-MRXNPFEDSA-N 1 0 312.461 3.499 10 0 DGAERO CCc1ccc([C@@H](C)CC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000172344203 164656549 /nfs/dbraw/zinc/65/65/49/164656549.db2.gz QVBOTJPELYMNNG-INIZCTEOSA-N 1 0 314.473 3.439 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N1CC2(CC2)c2ccccc21 ZINC000172474139 164659396 /nfs/dbraw/zinc/65/93/96/164659396.db2.gz ZUHYQHYKKNBLNX-UHFFFAOYSA-N 1 0 313.445 3.124 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000176968328 164794406 /nfs/dbraw/zinc/79/44/06/164794406.db2.gz VXWAGAYJHFBMFN-CQSZACIVSA-N 1 0 319.836 3.378 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1-n1cccn1 ZINC000177305488 164804772 /nfs/dbraw/zinc/80/47/72/164804772.db2.gz ATJIVMBEWXHKKL-WMZOPIPTSA-N 1 0 321.424 3.127 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000179145541 164853068 /nfs/dbraw/zinc/85/30/68/164853068.db2.gz UKDAQRJPUADXMT-RTBURBONSA-N 1 0 308.425 3.154 10 0 DGAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000182686898 164943205 /nfs/dbraw/zinc/94/32/05/164943205.db2.gz QTAFXZSIIUIROU-CABCVRRESA-N 1 0 307.434 3.302 10 0 DGAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1OC ZINC000183407687 164951982 /nfs/dbraw/zinc/95/19/82/164951982.db2.gz YUQJCRDYADFULT-GOSISDBHSA-N 1 0 324.424 3.073 10 0 DGAERO CSCCCC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185343404 165000593 /nfs/dbraw/zinc/00/05/93/165000593.db2.gz LWFXAUAOJVOPDO-QGZVFWFLSA-N 1 0 320.502 3.156 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccco2)c2ccc(F)cc2C1 ZINC000185353184 165002090 /nfs/dbraw/zinc/00/20/90/165002090.db2.gz RFEMUJZHPXDKLK-KRWDZBQOSA-N 1 0 302.349 3.002 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)c2ccc(F)cc2C1 ZINC000185361071 165002094 /nfs/dbraw/zinc/00/20/94/165002094.db2.gz WIPDCJPXCICBQA-QGZVFWFLSA-N 1 0 318.417 3.470 10 0 DGAERO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@@H]1COc2ccccc21 ZINC000185610651 165009878 /nfs/dbraw/zinc/00/98/78/165009878.db2.gz MASCIWSDEYABDU-HIFRSBDPSA-N 1 0 305.418 3.263 10 0 DGAERO CC(=O)Oc1ccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc1 ZINC000185647496 165011455 /nfs/dbraw/zinc/01/14/55/165011455.db2.gz RSPOQSCWXDHLLQ-SCLBCKFNSA-N 1 0 311.381 3.266 10 0 DGAERO O=C(NCc1ccc(C(F)F)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000185687244 165013010 /nfs/dbraw/zinc/01/30/10/165013010.db2.gz YLRJZHSWIVADBW-HNNXBMFYSA-N 1 0 323.387 3.004 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(F)c(Cl)c1F ZINC000186095108 165027822 /nfs/dbraw/zinc/02/78/22/165027822.db2.gz MNUGTNWZZMBVSG-SNVBAGLBSA-N 1 0 316.779 3.175 10 0 DGAERO C[C@@H](C(=O)N1Cc2ccccc2C2(CC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000186432384 165043163 /nfs/dbraw/zinc/04/31/63/165043163.db2.gz DQGFLAIJPAOVAL-OAGGEKHMSA-N 1 0 312.457 3.322 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCCSCC(C)C)C12CCOCC2 ZINC000186434342 165043811 /nfs/dbraw/zinc/04/38/11/165043811.db2.gz MVXLEQADRIHVGO-HOTGVXAUSA-N 1 0 315.523 3.330 10 0 DGAERO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000186897478 165066077 /nfs/dbraw/zinc/06/60/77/165066077.db2.gz UQZLYYHVGORHGG-KDOFPFPSSA-N 1 0 317.477 3.215 10 0 DGAERO Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c(C)n1 ZINC000187328574 165085777 /nfs/dbraw/zinc/08/57/77/165085777.db2.gz HEJWCRLUSYFKKL-HXUWFJFHSA-N 1 0 310.441 3.472 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCc3ncnn3C1)CCS2 ZINC000187328372 165085894 /nfs/dbraw/zinc/08/58/94/165085894.db2.gz DQBMANCMTXJGET-UKRRQHHQSA-N 1 0 314.458 3.036 10 0 DGAERO Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c(C)n1 ZINC000187379276 165088804 /nfs/dbraw/zinc/08/88/04/165088804.db2.gz FFHWBUPNPLJMSH-UHFFFAOYSA-N 1 0 317.477 3.473 10 0 DGAERO COCCC1(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)CCCCC1 ZINC000187450425 165090676 /nfs/dbraw/zinc/09/06/76/165090676.db2.gz FFDGWTIZDSAUPY-HOTGVXAUSA-N 1 0 313.507 3.180 10 0 DGAERO COCCC1(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)CCCCC1 ZINC000187450447 165091155 /nfs/dbraw/zinc/09/11/55/165091155.db2.gz FFDGWTIZDSAUPY-JKSUJKDBSA-N 1 0 313.507 3.180 10 0 DGAERO Cc1nccnc1[C@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000187761031 165103771 /nfs/dbraw/zinc/10/37/71/165103771.db2.gz CLUHNKGVXSINRQ-KRWDZBQOSA-N 1 0 324.472 3.143 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000188091018 165112994 /nfs/dbraw/zinc/11/29/94/165112994.db2.gz SFRKGFXQWRTSSM-KGLIPLIRSA-N 1 0 321.490 3.007 10 0 DGAERO C/C(=C\C(=O)N1CC[NH+]2CCC1CC2)c1cccc(Cl)c1 ZINC000188609187 165130579 /nfs/dbraw/zinc/13/05/79/165130579.db2.gz TYVQZXSHABBHCV-ACCUITESSA-N 1 0 304.821 3.050 10 0 DGAERO O=C(CC1CCCC1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188963652 165143016 /nfs/dbraw/zinc/14/30/16/165143016.db2.gz BZRGWNSAGWCWBG-PBHICJAKSA-N 1 0 322.399 3.107 10 0 DGAERO COCCC1(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)CCCCC1 ZINC000189211203 165153742 /nfs/dbraw/zinc/15/37/42/165153742.db2.gz ZVWCXZKWSNUJLQ-ROUUACIJSA-N 1 0 303.446 3.221 10 0 DGAERO CC(C)c1n[nH]cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000189214746 165154325 /nfs/dbraw/zinc/15/43/25/165154325.db2.gz DNQLRTKHZBXTBY-ZIAGYGMSSA-N 1 0 320.481 3.019 10 0 DGAERO CC(C)c1n[nH]cc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000189214719 165154721 /nfs/dbraw/zinc/15/47/21/165154721.db2.gz DNQLRTKHZBXTBY-KBPBESRZSA-N 1 0 320.481 3.019 10 0 DGAERO CCOC[C@H]([NH2+][C@H](C)c1nnc(-c2ccccc2)o1)C(C)C ZINC000189818224 165178329 /nfs/dbraw/zinc/17/83/29/165178329.db2.gz KFHWTGPJKMAVFX-HIFRSBDPSA-N 1 0 303.406 3.448 10 0 DGAERO CCOC(=O)CC[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189804472 165178519 /nfs/dbraw/zinc/17/85/19/165178519.db2.gz DWWWKZNMWOGPRM-UHFFFAOYSA-N 1 0 316.401 3.269 10 0 DGAERO CCC1=C(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCCO1 ZINC000189821438 165178671 /nfs/dbraw/zinc/17/86/71/165178671.db2.gz NAZVOCNJOLWFOF-SJLPKXTDSA-N 1 0 314.429 3.023 10 0 DGAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000189948987 165182878 /nfs/dbraw/zinc/18/28/78/165182878.db2.gz XHDQYSOSOJTNEA-QWRGUYRKSA-N 1 0 304.360 3.244 10 0 DGAERO Cc1nc([C@@H]2CCCN2C(=O)C2CC[NH+](C(C)C)CC2)cs1 ZINC000190013686 165185979 /nfs/dbraw/zinc/18/59/79/165185979.db2.gz CRRIOGJKKFOORC-INIZCTEOSA-N 1 0 321.490 3.235 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000190257085 165194883 /nfs/dbraw/zinc/19/48/83/165194883.db2.gz WOJYOCJHWVNSDP-LBPRGKRZSA-N 1 0 321.490 3.008 10 0 DGAERO CSC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000190462184 165204443 /nfs/dbraw/zinc/20/44/43/165204443.db2.gz SKVGLROQKCDXBN-INIZCTEOSA-N 1 0 318.486 3.053 10 0 DGAERO CCc1nnc(C2CC[NH+](CCCOc3ccccc3)CC2)[nH]1 ZINC000190647957 165212041 /nfs/dbraw/zinc/21/20/41/165212041.db2.gz BAOJFDSRERDFAE-UHFFFAOYSA-N 1 0 314.433 3.016 10 0 DGAERO CCc1nnc(C2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)[nH]1 ZINC000190706551 165212527 /nfs/dbraw/zinc/21/25/27/165212527.db2.gz ITXPZNBJRUUCBH-ZDUSSCGKSA-N 1 0 314.433 3.316 10 0 DGAERO CN(C)c1ncccc1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000190760532 165215846 /nfs/dbraw/zinc/21/58/46/165215846.db2.gz NNVCLUOPDNBMND-UHFFFAOYSA-N 1 0 311.429 3.226 10 0 DGAERO CCOc1ccc(C[NH2+]Cc2ccc(N(C)CC)nc2)cc1F ZINC000190976427 165223468 /nfs/dbraw/zinc/22/34/68/165223468.db2.gz AYULGYQQGPLGDX-UHFFFAOYSA-N 1 0 317.408 3.365 10 0 DGAERO COCCN(C)c1ccc(C[NH2+]C2CCC(C)(C)CC2)cn1 ZINC000191187876 165236174 /nfs/dbraw/zinc/23/61/74/165236174.db2.gz PJHONSZKMPHCCR-UHFFFAOYSA-N 1 0 305.466 3.223 10 0 DGAERO CCC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccsc1 ZINC000191204118 165236508 /nfs/dbraw/zinc/23/65/08/165236508.db2.gz CCLCXSCLHXTVHX-HNNXBMFYSA-N 1 0 313.430 3.355 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1csc(Cl)c1 ZINC000191309409 165242705 /nfs/dbraw/zinc/24/27/05/165242705.db2.gz MPKLVURPIBDCPI-AAEUAGOBSA-N 1 0 324.881 3.455 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1csc(Cl)c1 ZINC000191309425 165242777 /nfs/dbraw/zinc/24/27/77/165242777.db2.gz MPKLVURPIBDCPI-YPMHNXCESA-N 1 0 324.881 3.455 10 0 DGAERO c1cn(-c2ccccc2)c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000191299385 165242782 /nfs/dbraw/zinc/24/27/82/165242782.db2.gz BJUXKJLHLBMEPO-LJQANCHMSA-N 1 0 324.472 3.323 10 0 DGAERO COc1ccc(CC[NH2+]Cc2cn(C(C)(C)C)nn2)c(Cl)c1 ZINC000191325797 165244154 /nfs/dbraw/zinc/24/41/54/165244154.db2.gz RXPVALMSVNICTG-UHFFFAOYSA-N 1 0 322.840 3.027 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191582665 165259320 /nfs/dbraw/zinc/25/93/20/165259320.db2.gz YVCUGLKBJVWPFK-KDOFPFPSSA-N 1 0 315.461 3.046 10 0 DGAERO COc1cccc(-c2noc([C@@H](C)[NH2+][C@H]3CCCSC3)n2)c1 ZINC000191563668 165259385 /nfs/dbraw/zinc/25/93/85/165259385.db2.gz AWLXZKJQSHWSNZ-YPMHNXCESA-N 1 0 319.430 3.291 10 0 DGAERO Cn1c2ccc(C[NH2+][C@H]3CCCc4occc43)cc2sc1=O ZINC000192469771 165292840 /nfs/dbraw/zinc/29/28/40/165292840.db2.gz QYKSQCJGZHCYSL-ZDUSSCGKSA-N 1 0 314.410 3.360 10 0 DGAERO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000192637160 165300925 /nfs/dbraw/zinc/30/09/25/165300925.db2.gz IIDNWOZIJMIFIW-GFCCVEGCSA-N 1 0 313.426 3.188 10 0 DGAERO O=C(CCc1cccs1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192768800 165305515 /nfs/dbraw/zinc/30/55/15/165305515.db2.gz DGYBJSMEJPJTDE-UHFFFAOYSA-N 1 0 306.475 3.015 10 0 DGAERO CCc1csc([C@@H]2CCC[N@H+](Cc3cccnc3OC)C2)n1 ZINC000193325040 165322545 /nfs/dbraw/zinc/32/25/45/165322545.db2.gz VTOSFXIKOIIABS-CQSZACIVSA-N 1 0 317.458 3.489 10 0 DGAERO COc1ncccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000193365093 165324484 /nfs/dbraw/zinc/32/44/84/165324484.db2.gz QAYQZFPZROKCRN-ROUUACIJSA-N 1 0 312.413 3.178 10 0 DGAERO c1coc(-c2ncc(CN3CCC([NH+]4CCCC4)CC3)s2)c1 ZINC000194324455 165342668 /nfs/dbraw/zinc/34/26/68/165342668.db2.gz JIFGFDAQWRFPFC-UHFFFAOYSA-N 1 0 317.458 3.463 10 0 DGAERO COc1cc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)ccc1C ZINC000194763515 165355484 /nfs/dbraw/zinc/35/54/84/165355484.db2.gz QNWBOVPWZKHSBL-IRXDYDNUSA-N 1 0 317.454 3.273 10 0 DGAERO C[C@@H](CC[NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 ZINC000194988824 165358772 /nfs/dbraw/zinc/35/87/72/165358772.db2.gz NRXLQQOKPXGYAK-FUHWJXTLSA-N 1 0 310.445 3.229 10 0 DGAERO Cc1cc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)c(C)s1 ZINC000195028571 165359802 /nfs/dbraw/zinc/35/98/02/165359802.db2.gz WGZGQVVJJZSKMW-ZDUSSCGKSA-N 1 0 308.491 3.050 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C2)n1 ZINC000195324217 165364761 /nfs/dbraw/zinc/36/47/61/165364761.db2.gz KFKVZQPZCRIZGX-GJZGRUSLSA-N 1 0 323.506 3.182 10 0 DGAERO CCCCOC(=O)CCN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195439100 165371039 /nfs/dbraw/zinc/37/10/39/165371039.db2.gz VEHYMLVQBVZOEN-ZDUSSCGKSA-N 1 0 309.410 3.063 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000195520321 165374727 /nfs/dbraw/zinc/37/47/27/165374727.db2.gz YRSIZOFSLJJWSU-DZGCQCFKSA-N 1 0 302.397 3.378 10 0 DGAERO OCC[C@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000227571572 165387546 /nfs/dbraw/zinc/38/75/46/165387546.db2.gz PHXVKDBIBKMNTQ-GFCCVEGCSA-N 1 0 306.793 3.199 10 0 DGAERO Fc1ccc(Br)c(F)c1C[NH2+]CC[C@H]1CCOC1 ZINC000230312426 165394827 /nfs/dbraw/zinc/39/48/27/165394827.db2.gz YNBJOQOERMQEPJ-VIFPVBQESA-N 1 0 320.177 3.244 10 0 DGAERO c1ncn(CC[N@@H+]2CCC[C@H]2C[C@@H]2CCCc3ccccc32)n1 ZINC000365226310 287111200 /nfs/dbraw/zinc/11/12/00/287111200.db2.gz ICXICMYKSXXJJG-ROUUACIJSA-N 1 0 310.445 3.253 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2nccs2)[C@@H]1c1cccs1 ZINC000365232619 287112070 /nfs/dbraw/zinc/11/20/70/287112070.db2.gz OUCTXOLXAUMYCN-WCQYABFASA-N 1 0 321.471 3.018 10 0 DGAERO COc1ccc(CCC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000245934606 165493267 /nfs/dbraw/zinc/49/32/67/165493267.db2.gz SZUUSRUMXZOAOJ-KZNAEPCWSA-N 1 0 303.446 3.421 10 0 DGAERO Cn1cncc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246614272 165529258 /nfs/dbraw/zinc/52/92/58/165529258.db2.gz YHXOCWUPRSSKHE-GOEBONIOSA-N 1 0 319.474 3.350 10 0 DGAERO C[C@H](CC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)[S@](C)=O ZINC000253013648 165701495 /nfs/dbraw/zinc/70/14/95/165701495.db2.gz FINZFUOCGITZDI-FFUDGTDTSA-N 1 0 304.459 3.292 10 0 DGAERO CC[C@H](C(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000261770715 165746937 /nfs/dbraw/zinc/74/69/37/165746937.db2.gz RHXWBEOGKWOXDE-IBGZPJMESA-N 1 0 310.441 3.210 10 0 DGAERO Cc1cccc(C2(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CCCC2)c1 ZINC000261779048 165747414 /nfs/dbraw/zinc/74/74/14/165747414.db2.gz PAJJXCRSOVCNHN-NVXWUHKLSA-N 1 0 300.446 3.256 10 0 DGAERO Cc1ccc(CCN(CC(F)(F)F)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000262114057 165787762 /nfs/dbraw/zinc/78/77/62/165787762.db2.gz WTWPTSPTOMLRHE-INIZCTEOSA-N 1 0 314.395 3.401 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1F ZINC000262135809 165789975 /nfs/dbraw/zinc/78/99/75/165789975.db2.gz LYSDJUPIDBNDQE-JFOHDYCDSA-N 1 0 304.409 3.232 10 0 DGAERO C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000262172124 165790949 /nfs/dbraw/zinc/79/09/49/165790949.db2.gz KFXJYJFSOZMHIN-YUMQZZPRSA-N 1 0 319.207 3.165 10 0 DGAERO CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262272290 165795076 /nfs/dbraw/zinc/79/50/76/165795076.db2.gz VZPAUUKHCDCAAF-NSHDSACASA-N 1 0 312.816 3.073 10 0 DGAERO Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](C)CS(C)(=O)=O)o1 ZINC000365981272 287195115 /nfs/dbraw/zinc/19/51/15/287195115.db2.gz VSMYZGSTSDPFMU-HIFRSBDPSA-N 1 0 313.463 3.186 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C3CCC4(CCOCC4)CC3)o2)n[nH]1 ZINC000366024990 287201604 /nfs/dbraw/zinc/20/16/04/287201604.db2.gz BPXNAQOCBQWEES-UHFFFAOYSA-N 1 0 315.417 3.499 10 0 DGAERO Cc1cc(N[C@H](C)CO[C@H]2CCOC2)c2cc(F)ccc2[nH+]1 ZINC000129373585 196043037 /nfs/dbraw/zinc/04/30/37/196043037.db2.gz AIDACRBRFPXGLG-OCCSQVGLSA-N 1 0 304.365 3.288 10 0 DGAERO Cc1cc(N[C@H](C)CO[C@@H]2CCOC2)c2cc(F)ccc2[nH+]1 ZINC000129373134 196043497 /nfs/dbraw/zinc/04/34/97/196043497.db2.gz AIDACRBRFPXGLG-TZMCWYRMSA-N 1 0 304.365 3.288 10 0 DGAERO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc2c(s1)CCCC2 ZINC000129404923 196045853 /nfs/dbraw/zinc/04/58/53/196045853.db2.gz NTHQQCZMAZJPMD-LKSINWNRSA-N 1 0 306.475 3.322 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000136659740 432160349 /nfs/dbraw/zinc/16/03/49/432160349.db2.gz ZVEXKBDCHYEGOP-DZGCQCFKSA-N 1 0 321.490 3.251 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)s1 ZINC000171664472 432157677 /nfs/dbraw/zinc/15/76/77/432157677.db2.gz MRZWYRASJDSSNQ-AWEZNQCLSA-N 1 0 322.861 3.191 10 0 DGAERO COc1cccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1OC ZINC000136716809 432162278 /nfs/dbraw/zinc/16/22/78/432162278.db2.gz XZHXKYGSSCGIJC-HNNXBMFYSA-N 1 0 305.418 3.285 10 0 DGAERO C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246757120 432162854 /nfs/dbraw/zinc/16/28/54/432162854.db2.gz HNLRQTGFEMQEMS-RKVPGOIHSA-N 1 0 320.452 3.336 10 0 DGAERO CCOc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246777653 432164676 /nfs/dbraw/zinc/16/46/76/432164676.db2.gz HDJARLRJMYZGSJ-KBPBESRZSA-N 1 0 305.422 3.032 10 0 DGAERO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000182219315 432167571 /nfs/dbraw/zinc/16/75/71/432167571.db2.gz BSJDSGWDUJULDS-OAHLLOKOSA-N 1 0 314.408 3.440 10 0 DGAERO C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)[C@H]1C=CCCC1 ZINC000171746466 432167963 /nfs/dbraw/zinc/16/79/63/432167963.db2.gz DNHVJCUFYITLBL-HOTGVXAUSA-N 1 0 306.475 3.162 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(-n2ccnc2)cc1 ZINC000246809875 432169112 /nfs/dbraw/zinc/16/91/12/432169112.db2.gz ACJYZDPAHZMIEH-WQANXHIZSA-N 1 0 311.429 3.481 10 0 DGAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000246829138 432170070 /nfs/dbraw/zinc/17/00/70/432170070.db2.gz BAHRJWGKQQQOOK-IHRRRGAJSA-N 1 0 306.454 3.064 10 0 DGAERO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)c1ccc(F)cc1 ZINC000182240022 432170297 /nfs/dbraw/zinc/17/02/97/432170297.db2.gz JTWHTBDWKXUZDW-UHFFFAOYSA-N 1 0 315.392 3.007 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000246834032 432170513 /nfs/dbraw/zinc/17/05/13/432170513.db2.gz CONPCYWDFMSLIP-OWCLPIDISA-N 1 0 319.449 3.247 10 0 DGAERO CCCc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1 ZINC000246888099 432177367 /nfs/dbraw/zinc/17/73/67/432177367.db2.gz RFWFMUJXUGFRID-GBESFXJTSA-N 1 0 303.446 3.407 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+]C[C@H]3CC=CCC3)C2)c1 ZINC000129620822 196062109 /nfs/dbraw/zinc/06/21/09/196062109.db2.gz PUOSASQAFBGIHZ-DLBZAZTESA-N 1 0 300.446 3.467 10 0 DGAERO CC1(C)C[C@@H]([NH2+]CC2(C)OCCCO2)c2ccc(F)cc2O1 ZINC000190640010 432178895 /nfs/dbraw/zinc/17/88/95/432178895.db2.gz QGYGRDUIBYUMGN-CQSZACIVSA-N 1 0 309.381 3.171 10 0 DGAERO CS[C@@H]1CCCC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000246912022 432180158 /nfs/dbraw/zinc/18/01/58/432180158.db2.gz RXSGWHXDXSSELS-BXUZGUMPSA-N 1 0 301.402 3.216 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCc3ccc(C)cc3)[C@H]2C1 ZINC000182254297 432172547 /nfs/dbraw/zinc/17/25/47/432172547.db2.gz RFNVLKONWTWVBH-CEXWTWQISA-N 1 0 303.446 3.196 10 0 DGAERO CC[C@H]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000246860110 432174642 /nfs/dbraw/zinc/17/46/42/432174642.db2.gz DEIIBQORQVQEOT-BFZKSOEOSA-N 1 0 307.482 3.270 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000246962556 432184849 /nfs/dbraw/zinc/18/48/49/432184849.db2.gz MSVVEPAVNJAGRI-STQMWFEESA-N 1 0 315.392 3.006 10 0 DGAERO COc1cccc([C@@H]2CN(C[C@H](O)CC3CCCC3)CCO2)c1 ZINC000190729306 432185340 /nfs/dbraw/zinc/18/53/40/432185340.db2.gz ZHULLTNGCABJPY-MJGOQNOKSA-N 1 0 319.445 3.010 10 0 DGAERO CC(C)Oc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000247016324 432192438 /nfs/dbraw/zinc/19/24/38/432192438.db2.gz QETCJTYTMDCNFA-SJORKVTESA-N 1 0 307.459 3.180 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1F ZINC000247012082 432189925 /nfs/dbraw/zinc/18/99/25/432189925.db2.gz HEAKTVTZPHVLMY-KEYYUXOJSA-N 1 0 321.440 3.223 10 0 DGAERO Cc1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c2ccccc2n1 ZINC000247015344 432191849 /nfs/dbraw/zinc/19/18/49/432191849.db2.gz QDLDDOSHVBCOEC-MSOLQXFVSA-N 1 0 314.454 3.250 10 0 DGAERO Fc1ccc2c(N[C@@H]3CCCN(c4ncccn4)C3)cc[nH+]c2c1 ZINC000172068436 432193805 /nfs/dbraw/zinc/19/38/05/432193805.db2.gz FFFMQHRRGXZHLV-CQSZACIVSA-N 1 0 323.375 3.245 10 0 DGAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000190848581 432193804 /nfs/dbraw/zinc/19/38/04/432193804.db2.gz GJHIHBNHJSGDGF-RHSMWYFYSA-N 1 0 304.434 3.282 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000247027911 432193982 /nfs/dbraw/zinc/19/39/82/432193982.db2.gz SZGHTPGDXCKPBX-KKVAFCGZSA-N 1 0 312.457 3.022 10 0 DGAERO COc1ccc(OC)c(C[N@H+](CCc2cccnc2)C2CC2)c1 ZINC000172073468 432194089 /nfs/dbraw/zinc/19/40/89/432194089.db2.gz CWJUMUZSIZICAR-UHFFFAOYSA-N 1 0 312.413 3.306 10 0 DGAERO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc2ccccc2n1 ZINC000150842605 432194517 /nfs/dbraw/zinc/19/45/17/432194517.db2.gz RYSSKEKQYYSOAD-UHFFFAOYSA-N 1 0 300.402 3.398 10 0 DGAERO COc1ccc(CC[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000150838441 432195211 /nfs/dbraw/zinc/19/52/11/432195211.db2.gz LMLHMYYANCGRNA-OAHLLOKOSA-N 1 0 322.412 3.169 10 0 DGAERO C[C@H]([NH2+]CCc1ccccc1F)c1cn(-c2ccccc2)nn1 ZINC000150846777 432196260 /nfs/dbraw/zinc/19/62/60/432196260.db2.gz FECOIROEQMJLRO-AWEZNQCLSA-N 1 0 310.376 3.300 10 0 DGAERO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000182508345 432197165 /nfs/dbraw/zinc/19/71/65/432197165.db2.gz ZBMZNCORJQMDDM-STQMWFEESA-N 1 0 318.442 3.285 10 0 DGAERO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000182508382 432197262 /nfs/dbraw/zinc/19/72/62/432197262.db2.gz ZBMZNCORJQMDDM-QWHCGFSZSA-N 1 0 318.442 3.285 10 0 DGAERO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000247065336 432197607 /nfs/dbraw/zinc/19/76/07/432197607.db2.gz UNBDTAFZPYCSEF-IXDOHACOSA-N 1 0 318.461 3.001 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247056895 432198315 /nfs/dbraw/zinc/19/83/15/432198315.db2.gz WAMCDWQNBQXUBG-GXTWGEPZSA-N 1 0 323.868 3.001 10 0 DGAERO CCCC[N@H+](CCCC(=O)NC(N)=O)[C@H](CC)c1ccccc1 ZINC000172175257 432201060 /nfs/dbraw/zinc/20/10/60/432201060.db2.gz YEENEWGSQVXLGK-MRXNPFEDSA-N 1 0 319.449 3.215 10 0 DGAERO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190967631 432207525 /nfs/dbraw/zinc/20/75/25/432207525.db2.gz SLVWEUBNKGJMSU-CQSZACIVSA-N 1 0 310.482 3.103 10 0 DGAERO CSCCC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000150983326 432207564 /nfs/dbraw/zinc/20/75/64/432207564.db2.gz CNSFIUQELAHITN-GJZGRUSLSA-N 1 0 320.502 3.012 10 0 DGAERO C[N@H+](Cc1ccc2c(c1)CCC2)[C@H]1CCCN(c2cccnn2)C1 ZINC000172289909 432207760 /nfs/dbraw/zinc/20/77/60/432207760.db2.gz VXVRKRPMXKXKGU-IBGZPJMESA-N 1 0 322.456 3.066 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)o1 ZINC000182591945 432208663 /nfs/dbraw/zinc/20/86/63/432208663.db2.gz VMYNXHQABCHQMO-KGLIPLIRSA-N 1 0 314.385 3.160 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccc(C)cc2)o1 ZINC000182588965 432208708 /nfs/dbraw/zinc/20/87/08/432208708.db2.gz GYQYBIYLSQGTKI-OAHLLOKOSA-N 1 0 321.442 3.411 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CC[C@H]21 ZINC000247190331 432209350 /nfs/dbraw/zinc/20/93/50/432209350.db2.gz VTABPQXLKRPLJH-SWLSCSKDSA-N 1 0 307.825 3.288 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc2ccccc2c1 ZINC000247173651 432210066 /nfs/dbraw/zinc/21/00/66/432210066.db2.gz KTZHNWDQSGRUBJ-JXFKEZNVSA-N 1 0 322.452 3.468 10 0 DGAERO COc1cc(C[N@@H+]2CCS[C@@H](C)C2)c(SC)cc1OC ZINC000131314168 196159991 /nfs/dbraw/zinc/15/99/91/196159991.db2.gz OSILVSFVEPKYHT-NSHDSACASA-N 1 0 313.488 3.363 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@H](C)c3ccccc3)C2)n1 ZINC000247221998 432212521 /nfs/dbraw/zinc/21/25/21/432212521.db2.gz VRGCVMIFYALFDC-YJBOKZPZSA-N 1 0 312.461 3.411 10 0 DGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000247232327 432213872 /nfs/dbraw/zinc/21/38/72/432213872.db2.gz OAVKRJRGOFGXHT-YJBOKZPZSA-N 1 0 315.461 3.047 10 0 DGAERO Fc1cccc(F)c1CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000182649656 432214060 /nfs/dbraw/zinc/21/40/60/432214060.db2.gz HNQAYCAWINTXKP-GFCCVEGCSA-N 1 0 318.371 3.271 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000182664285 432215367 /nfs/dbraw/zinc/21/53/67/432215367.db2.gz JXARZVVUSWBOMB-MRXNPFEDSA-N 1 0 301.365 3.349 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC[N@@H+]1C ZINC000247250545 432215664 /nfs/dbraw/zinc/21/56/64/432215664.db2.gz DQLVVQNQSJIHNQ-RJZRQDKASA-N 1 0 322.399 3.009 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc4ccccc34)CC[C@H]21 ZINC000247133463 432205242 /nfs/dbraw/zinc/20/52/42/432205242.db2.gz AURHUZPVVKHUCM-XJKSGUPXSA-N 1 0 314.454 3.458 10 0 DGAERO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000182563736 432205933 /nfs/dbraw/zinc/20/59/33/432205933.db2.gz MXDJSJARPCJBPH-KFKAGJAMSA-N 1 0 308.425 3.352 10 0 DGAERO Fc1ccc(OC2CC[NH+](CCc3cccnc3)CC2)cc1 ZINC000172308412 432206317 /nfs/dbraw/zinc/20/63/17/432206317.db2.gz HNSVGIAPACOGDN-UHFFFAOYSA-N 1 0 300.377 3.307 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2cccc(F)c2)C[C@H]1CC ZINC000182752148 432224660 /nfs/dbraw/zinc/22/46/60/432224660.db2.gz NIZJBLOFBSWZPN-LJQANCHMSA-N 1 0 322.468 3.191 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000247371206 432225734 /nfs/dbraw/zinc/22/57/34/432225734.db2.gz UTJANIXFWULTHY-DLBZAZTESA-N 1 0 317.408 3.047 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000247371229 432225973 /nfs/dbraw/zinc/22/59/73/432225973.db2.gz UTJANIXFWULTHY-IAGOWNOFSA-N 1 0 317.408 3.047 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000247368631 432226406 /nfs/dbraw/zinc/22/64/06/432226406.db2.gz RPCGQOXVJMZHET-JQWIXIFHSA-N 1 0 311.788 3.180 10 0 DGAERO CCCOc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000247394688 432227722 /nfs/dbraw/zinc/22/77/22/432227722.db2.gz MFWUKUVRXYKOPC-CRAIPNDOSA-N 1 0 318.461 3.278 10 0 DGAERO CCC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247266545 432216351 /nfs/dbraw/zinc/21/63/51/432216351.db2.gz QVCYPOGYWFYHSA-LZLYRXPVSA-N 1 0 317.477 3.235 10 0 DGAERO CC(C)[C@H](C)CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000172503498 432217605 /nfs/dbraw/zinc/21/76/05/432217605.db2.gz YGKGWOUUDKKWFJ-OAHLLOKOSA-N 1 0 321.465 3.178 10 0 DGAERO CSCCCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000172510348 432218500 /nfs/dbraw/zinc/21/85/00/432218500.db2.gz RGWZGODSKZKPTR-UHFFFAOYSA-N 1 0 320.502 3.158 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)C2(Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000151104544 432219979 /nfs/dbraw/zinc/21/99/79/432219979.db2.gz CCTSMYJYSXRKMM-WMZOPIPTSA-N 1 0 314.473 3.244 10 0 DGAERO C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc(F)c1 ZINC000247319334 432221140 /nfs/dbraw/zinc/22/11/40/432221140.db2.gz WZXSLKRTVPVBQN-KEYYUXOJSA-N 1 0 304.409 3.014 10 0 DGAERO CC(C)(C(=O)N1CCC[N@@H+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000172569328 432221219 /nfs/dbraw/zinc/22/12/19/432221219.db2.gz TXTXKSYUMGYRNH-UHFFFAOYSA-N 1 0 320.864 3.314 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccccc2C)[C@@H](C)C1 ZINC000247314185 432222021 /nfs/dbraw/zinc/22/20/21/432222021.db2.gz HQJUBTPUOYBZTL-JKSUJKDBSA-N 1 0 320.502 3.276 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000247330475 432223591 /nfs/dbraw/zinc/22/35/91/432223591.db2.gz MLFRRMUGKZQTDY-HOCLYGCPSA-N 1 0 317.433 3.174 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000131883543 196207665 /nfs/dbraw/zinc/20/76/65/196207665.db2.gz QLQMARAFWDPDQA-SFHVURJKSA-N 1 0 321.428 3.456 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)CCCO2 ZINC000132095918 196225677 /nfs/dbraw/zinc/22/56/77/196225677.db2.gz SSIONNJWYVAAQW-PKOBYXMFSA-N 1 0 311.425 3.402 10 0 DGAERO O=C(NCC1(C2CC2)CCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000133168462 196318285 /nfs/dbraw/zinc/31/82/85/196318285.db2.gz HKNDLPSONAQWLC-UHFFFAOYSA-N 1 0 319.493 3.084 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)CC2 ZINC000133870084 196341531 /nfs/dbraw/zinc/34/15/31/196341531.db2.gz OQPINTBEAWTVPR-RDJZCZTQSA-N 1 0 312.461 3.185 10 0 DGAERO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 ZINC000133883579 196343289 /nfs/dbraw/zinc/34/32/89/196343289.db2.gz AKRLUVSMDCLWKH-GOSISDBHSA-N 1 0 324.424 3.090 10 0 DGAERO CC[C@@H]1C[C@H](CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)CCO1 ZINC000261702912 287303255 /nfs/dbraw/zinc/30/32/55/287303255.db2.gz LRQNOPJURHIDNR-IIDMSEBBSA-N 1 0 322.880 3.492 10 0 DGAERO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(Cl)c1 ZINC000111245386 545871994 /nfs/dbraw/zinc/87/19/94/545871994.db2.gz KTVYPLKJEPAVDH-RNCFNFMXSA-N 1 0 320.742 3.059 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccc(Cl)c1 ZINC000147899213 227053142 /nfs/dbraw/zinc/05/31/42/227053142.db2.gz DWWAMBHRTJTFMC-BYCMXARLSA-N 1 0 315.866 3.346 10 0 DGAERO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000153107297 227081670 /nfs/dbraw/zinc/08/16/70/227081670.db2.gz AMXBRFAOQPJCPI-BLLLJJGKSA-N 1 0 304.365 3.216 10 0 DGAERO Cc1csc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)n1 ZINC000291172828 222193286 /nfs/dbraw/zinc/19/32/86/222193286.db2.gz DVTVABWMPRBNHD-GOSISDBHSA-N 1 0 316.470 3.269 10 0 DGAERO Cc1ccncc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291319645 222309182 /nfs/dbraw/zinc/30/91/82/222309182.db2.gz SLTLENRWMZMUFU-FQEVSTJZSA-N 1 0 310.441 3.207 10 0 DGAERO Fc1cc(C[NH2+]C[C@@H]2CCCOC2)ccc1Br ZINC000127412428 545929710 /nfs/dbraw/zinc/92/97/10/545929710.db2.gz OIKODHODXMBPAB-NSHDSACASA-N 1 0 302.187 3.104 10 0 DGAERO OCCC1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000157338030 228233070 /nfs/dbraw/zinc/23/30/70/228233070.db2.gz YNSWWNZMKOHLEM-UHFFFAOYSA-N 1 0 318.642 3.355 10 0 DGAERO Cc1nc(C)c(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)s1 ZINC000172794143 228277490 /nfs/dbraw/zinc/27/74/90/228277490.db2.gz VRQZESNJOYVWGX-CQSZACIVSA-N 1 0 304.463 3.447 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2ccn(C)c2c1 ZINC000173833585 228285349 /nfs/dbraw/zinc/28/53/49/228285349.db2.gz OZUOCFPFHOUDQZ-AWEZNQCLSA-N 1 0 314.433 3.174 10 0 DGAERO Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000177282953 228328924 /nfs/dbraw/zinc/32/89/24/228328924.db2.gz PCVRHIYMZXLERP-HNNXBMFYSA-N 1 0 317.351 3.071 10 0 DGAERO c1nc(C2CC2)sc1C[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000299743532 229380996 /nfs/dbraw/zinc/38/09/96/229380996.db2.gz OBMPTTLOUXRZCZ-JKSUJKDBSA-N 1 0 315.442 3.425 10 0 DGAERO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)o1 ZINC000016102139 263496634 /nfs/dbraw/zinc/49/66/34/263496634.db2.gz YYWBLIKDQSDBGZ-UHFFFAOYSA-N 1 0 312.413 3.422 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000184422347 263610506 /nfs/dbraw/zinc/61/05/06/263610506.db2.gz UMHOJICYLDAJLV-LSDHHAIUSA-N 1 0 307.401 3.383 10 0 DGAERO CCC[C@@H](NC1CC[NH+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000184943522 263622853 /nfs/dbraw/zinc/62/28/53/263622853.db2.gz VNIIXQWGFZYJJY-OAHLLOKOSA-N 1 0 312.498 3.349 10 0 DGAERO CCc1ccccc1CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000188338788 263692547 /nfs/dbraw/zinc/69/25/47/263692547.db2.gz VNNXELZYHWGIOR-LJQANCHMSA-N 1 0 314.473 3.268 10 0 DGAERO CC(C)OCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227657623 263841000 /nfs/dbraw/zinc/84/10/00/263841000.db2.gz MNUQTVGCAFCRJA-OAHLLOKOSA-N 1 0 314.470 3.038 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC[C@H]1CCOC1)CCC2 ZINC000346873530 264112870 /nfs/dbraw/zinc/11/28/70/264112870.db2.gz OMCUAKZBBMIQPC-KSSFIOAISA-N 1 0 301.430 3.405 10 0 DGAERO c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@@H](OCc3ccncc3)C1)C2 ZINC000347113848 264159267 /nfs/dbraw/zinc/15/92/67/264159267.db2.gz ULKBGABJWNHFSC-WIYYLYMNSA-N 1 0 322.452 3.478 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCCOCc1ccccc1 ZINC000347486421 264228716 /nfs/dbraw/zinc/22/87/16/264228716.db2.gz RIKZRMIAAWFUIK-MJGOQNOKSA-N 1 0 302.462 3.152 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CC1=CCCOC1 ZINC000348209005 264365338 /nfs/dbraw/zinc/36/53/38/264365338.db2.gz VVEWTRXMMUAKMS-SFHVURJKSA-N 1 0 309.413 3.186 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[NH2+]Cc1ccnn1C ZINC000352843703 265195167 /nfs/dbraw/zinc/19/51/67/265195167.db2.gz BWDCXTXQVYNRCB-XFXZXTDPSA-N 1 0 307.344 3.215 10 0 DGAERO CC(C)[N@H+](C)C[C@H](C)NCc1ccc(Br)c(F)c1 ZINC000353088231 265292854 /nfs/dbraw/zinc/29/28/54/265292854.db2.gz CRPHYQIBFDLQKT-NSHDSACASA-N 1 0 317.246 3.407 10 0 DGAERO c1cc(CN2CCOCC2)ccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000353240655 265359489 /nfs/dbraw/zinc/35/94/89/265359489.db2.gz DHAGLJGBYNLFHE-IBGZPJMESA-N 1 0 314.473 3.331 10 0 DGAERO Cc1cccc(OCCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247427991 432229097 /nfs/dbraw/zinc/22/90/97/432229097.db2.gz OKZFDGLBAAQBEI-IRXDYDNUSA-N 1 0 318.461 3.095 10 0 DGAERO COc1ccc(-c2noc([C@@H](C)[NH+]3CCCCCC3)n2)cn1 ZINC000191170661 432230506 /nfs/dbraw/zinc/23/05/06/432230506.db2.gz URWSZXRRHSSFKU-GFCCVEGCSA-N 1 0 302.378 3.077 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)Cc2ccc(Cl)cc2)C1 ZINC000247468186 432231485 /nfs/dbraw/zinc/23/14/85/432231485.db2.gz UZRJAIUGQCGYGF-XJKSGUPXSA-N 1 0 323.868 3.210 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000247476066 432233141 /nfs/dbraw/zinc/23/31/41/432233141.db2.gz SJIYDOBNTPTUQC-REBRKWNGSA-N 1 0 322.399 3.009 10 0 DGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CCC(OCC2CCCC2)CC1 ZINC000182835738 432233195 /nfs/dbraw/zinc/23/31/95/432233195.db2.gz PZAULSLIHGCYPF-VQTJNVASSA-N 1 0 315.457 3.316 10 0 DGAERO Cc1nc2ccccc2cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247475878 432233738 /nfs/dbraw/zinc/23/37/38/432233738.db2.gz SHQJLJNWJINLFJ-XJKSGUPXSA-N 1 0 311.429 3.098 10 0 DGAERO Cc1c([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cnn1C(C)(C)C ZINC000191204675 432233934 /nfs/dbraw/zinc/23/39/34/432233934.db2.gz FUQMWHTWAXMFHB-GFCCVEGCSA-N 1 0 319.424 3.429 10 0 DGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(CO)cc2)C12CCCC2 ZINC000182879979 432237896 /nfs/dbraw/zinc/23/78/96/432237896.db2.gz COPMKQRWROJYLG-ROUUACIJSA-N 1 0 303.446 3.349 10 0 DGAERO Cc1ccc(C)c(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247517519 432238252 /nfs/dbraw/zinc/23/82/52/432238252.db2.gz WESREYQKRIBDOH-IRXDYDNUSA-N 1 0 318.461 3.013 10 0 DGAERO CN1CCN([C@@H]2CCCC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000182891541 432239750 /nfs/dbraw/zinc/23/97/50/432239750.db2.gz QXIPYXGTCHOJOL-LJQANCHMSA-N 1 0 321.553 3.305 10 0 DGAERO C[C@@H](c1ccccc1F)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247532169 432239772 /nfs/dbraw/zinc/23/97/72/432239772.db2.gz CCXDQYZVSMNXHC-GJZGRUSLSA-N 1 0 314.408 3.278 10 0 DGAERO Cc1cccc([C@H](C)[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000247564728 432241588 /nfs/dbraw/zinc/24/15/88/432241588.db2.gz RCUIRPONOVVNMC-WMZOPIPTSA-N 1 0 310.445 3.447 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)C[C@@H]1C ZINC000247688337 432246496 /nfs/dbraw/zinc/24/64/96/432246496.db2.gz PWMASGPCPVIDQA-CUSZFKRNSA-N 1 0 313.482 3.131 10 0 DGAERO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151473763 432249353 /nfs/dbraw/zinc/24/93/53/432249353.db2.gz FJSPKYXOWYKOFB-KRWDZBQOSA-N 1 0 308.360 3.184 10 0 DGAERO c1cc([C@@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)n[nH]1 ZINC000362470056 271023394 /nfs/dbraw/zinc/02/33/94/271023394.db2.gz ZUCSLZRGYQMXIX-QGZVFWFLSA-N 1 0 310.445 3.042 10 0 DGAERO c1ccc(-c2cncc(N3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000367584873 271047507 /nfs/dbraw/zinc/04/75/07/271047507.db2.gz BFHSPEFACBTMFD-UHFFFAOYSA-N 1 0 322.456 3.456 10 0 DGAERO c1cc(C[NH2+]CC2(c3ccccn3)CCC2)n(-c2ccccc2)n1 ZINC000367588813 271047559 /nfs/dbraw/zinc/04/75/59/271047559.db2.gz XVAGSEDBVDMTBI-UHFFFAOYSA-N 1 0 318.424 3.479 10 0 DGAERO C[C@@H]1CCOCCN1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000367630713 271055769 /nfs/dbraw/zinc/05/57/69/271055769.db2.gz GJNVZDUIFRJILD-SNVBAGLBSA-N 1 0 314.216 3.252 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N2CCOCC[C@H]2C)cc1)C(C)C ZINC000367636318 271055993 /nfs/dbraw/zinc/05/59/93/271055993.db2.gz UDTGILWEZMLLSL-MRXNPFEDSA-N 1 0 318.461 3.168 10 0 DGAERO CC[C@H](NC(=O)CN1CCOCC[C@H]1C)c1ccc(Cl)cc1 ZINC000367663350 271060511 /nfs/dbraw/zinc/06/05/11/271060511.db2.gz QGFSJSNXHQGWDQ-CJNGLKHVSA-N 1 0 324.852 3.018 10 0 DGAERO CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C1CC1 ZINC000368616191 271180078 /nfs/dbraw/zinc/18/00/78/271180078.db2.gz SBDIEMIRFPAVEC-UYAOXDASSA-N 1 0 324.472 3.287 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC000370486515 271364182 /nfs/dbraw/zinc/36/41/82/271364182.db2.gz YHKZRCGLZLQDJT-HGTKMLMNSA-N 1 0 303.450 3.407 10 0 DGAERO CC(F)(F)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000370649287 271379629 /nfs/dbraw/zinc/37/96/29/271379629.db2.gz DBJHRNLQGZXOGV-CQSZACIVSA-N 1 0 302.409 3.146 10 0 DGAERO c1sc2ccccc2c1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000373162972 271603515 /nfs/dbraw/zinc/60/35/15/271603515.db2.gz FRJWZKFVOJRFAB-YOEHRIQHSA-N 1 0 303.427 3.329 10 0 DGAERO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966548 432256379 /nfs/dbraw/zinc/25/63/79/432256379.db2.gz DTZOSDSFEDEBGP-HOTGVXAUSA-N 1 0 302.418 3.037 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000126566678 273640160 /nfs/dbraw/zinc/64/01/60/273640160.db2.gz NHQSOMMKVDAGFU-ZDUSSCGKSA-N 1 0 302.422 3.328 10 0 DGAERO CSc1ccsc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247971792 432257063 /nfs/dbraw/zinc/25/70/63/432257063.db2.gz HKGGSSIWAKJKMO-NWDGAFQWSA-N 1 0 310.488 3.026 10 0 DGAERO C[C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)[C@H]1C[NH3+] ZINC000252217283 274291097 /nfs/dbraw/zinc/29/10/97/274291097.db2.gz YAPTZHXAHRLXCF-RISCZKNCSA-N 1 0 317.260 3.431 10 0 DGAERO C[C@@H]1CN(Cc2cc(Br)ccc2Cl)[C@@H](C)C[NH2+]1 ZINC000235342009 274353433 /nfs/dbraw/zinc/35/34/33/274353433.db2.gz BHBXRTPBUOLZHR-ZJUUUORDSA-N 1 0 317.658 3.285 10 0 DGAERO CCc1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)o2)cc1 ZINC000173098565 432258895 /nfs/dbraw/zinc/25/88/95/432258895.db2.gz WTJKJGHNBSIATN-KRWDZBQOSA-N 1 0 324.424 3.429 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000149374566 274422526 /nfs/dbraw/zinc/42/25/26/274422526.db2.gz PVYFHFRZIFMQLN-COLVAYQJSA-N 1 0 310.235 3.073 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(C)c1 ZINC000192814259 274759582 /nfs/dbraw/zinc/75/95/82/274759582.db2.gz KINNWJYMBZOCHJ-DLBZAZTESA-N 1 0 310.445 3.413 10 0 DGAERO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000247982963 432259697 /nfs/dbraw/zinc/25/96/97/432259697.db2.gz INRUMPPCVGIEQO-BBNYVJOESA-N 1 0 311.425 3.435 10 0 DGAERO COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000247991360 432259933 /nfs/dbraw/zinc/25/99/33/432259933.db2.gz JLLDSXGSBHIAJI-BKGUAONASA-N 1 0 301.361 3.143 10 0 DGAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000237853600 274947835 /nfs/dbraw/zinc/94/78/35/274947835.db2.gz LQMYWDCEILXZSL-AWEZNQCLSA-N 1 0 302.349 3.039 10 0 DGAERO CCC(C)(CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247986298 432260115 /nfs/dbraw/zinc/26/01/15/432260115.db2.gz IICVTXDUBWUQQE-CVEARBPZSA-N 1 0 303.450 3.310 10 0 DGAERO O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019438097 274997053 /nfs/dbraw/zinc/99/70/53/274997053.db2.gz OMKQBOQWCBPOHV-BPNCWPANSA-N 1 0 323.234 3.308 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)C1 ZINC000442641064 275070956 /nfs/dbraw/zinc/07/09/56/275070956.db2.gz CAXGNZNDKHOOSZ-ZIAGYGMSSA-N 1 0 320.392 3.065 10 0 DGAERO Brc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415058270 275369036 /nfs/dbraw/zinc/36/90/36/275369036.db2.gz VHZIDBGEHUOBJZ-GDBMZVCRSA-N 1 0 323.278 3.413 10 0 DGAERO C/C(=C/c1ccccc1)C[N@@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425470487 275398562 /nfs/dbraw/zinc/39/85/62/275398562.db2.gz FUSAHQMQTODDRD-AKMXKPQHSA-N 1 0 300.446 3.421 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CCCc3ccccc31)CC2 ZINC000171981170 275776736 /nfs/dbraw/zinc/77/67/36/275776736.db2.gz BCCSBDAPKUFEGC-DOTOQJQBSA-N 1 0 310.445 3.384 10 0 DGAERO CC1(C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000262394658 275838283 /nfs/dbraw/zinc/83/82/83/275838283.db2.gz BSIDIWVCNOQNLR-GFCCVEGCSA-N 1 0 315.339 3.297 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000313033028 275854416 /nfs/dbraw/zinc/85/44/16/275854416.db2.gz KHHFEHIZVKODQP-KGLIPLIRSA-N 1 0 310.235 3.451 10 0 DGAERO CC1CC[NH+](CCN2C[C@@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC000246526280 275939365 /nfs/dbraw/zinc/93/93/65/275939365.db2.gz UMESDCTXRUPNIU-IEBWSBKVSA-N 1 0 302.462 3.180 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1c3ccccc3C[C@H]1C)CC2 ZINC000180535179 276078224 /nfs/dbraw/zinc/07/82/24/276078224.db2.gz YOZOBWZBVHOYBO-DDUZABMNSA-N 1 0 310.445 3.239 10 0 DGAERO CC[N@H+](CC(=O)[O-])C1CC[NH+](CC[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000249084897 276087638 /nfs/dbraw/zinc/08/76/38/276087638.db2.gz FAKGKCSJBMHDDD-FVQHAEBGSA-N 1 0 324.509 3.320 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000246514262 276233514 /nfs/dbraw/zinc/23/35/14/276233514.db2.gz OCEVBTUKRKSUHL-XDNAFOTISA-N 1 0 304.478 3.288 10 0 DGAERO CCOC[C@@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000044691653 276329396 /nfs/dbraw/zinc/32/93/96/276329396.db2.gz MZOSRRLHHNUWFO-ZWNOBZJWSA-N 1 0 314.223 3.287 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1F ZINC000180903046 276441085 /nfs/dbraw/zinc/44/10/85/276441085.db2.gz QKEMFQZMRKOMRE-WMLDXEAASA-N 1 0 314.408 3.325 10 0 DGAERO CCc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000107527905 276665828 /nfs/dbraw/zinc/66/58/28/276665828.db2.gz VEZJLOQBXHHPDB-GOSISDBHSA-N 1 0 300.446 3.340 10 0 DGAERO CCc1nc2n(n1)CCC[C@H]2[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000167718367 276702931 /nfs/dbraw/zinc/70/29/31/276702931.db2.gz GEVAEPSOPSRSDI-UWRLEFKFSA-N 1 0 300.450 3.090 10 0 DGAERO CC(=O)[C@@](C)(O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459728798 277097594 /nfs/dbraw/zinc/09/75/94/277097594.db2.gz AOLACZXJPVOIAN-MSOLQXFVSA-N 1 0 301.430 3.334 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccsc2)[C@H]1c1ccccc1 ZINC000248120434 277136031 /nfs/dbraw/zinc/13/60/31/277136031.db2.gz UDGJYHXIKYDYRF-SJLPKXTDSA-N 1 0 314.454 3.242 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@@H]1c1ccccc1 ZINC000180141726 277136848 /nfs/dbraw/zinc/13/68/48/277136848.db2.gz XTNBXRYLQBNMKP-SJORKVTESA-N 1 0 316.351 3.140 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000246752573 277157406 /nfs/dbraw/zinc/15/74/06/277157406.db2.gz PRWUVHFRKPALQJ-VSZNYVQBSA-N 1 0 304.478 3.146 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190163146 277215991 /nfs/dbraw/zinc/21/59/91/277215991.db2.gz NKKWMKZWQCPXGY-RYUDHWBXSA-N 1 0 311.388 3.073 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248789824 277216718 /nfs/dbraw/zinc/21/67/18/277216718.db2.gz NKKWMKZWQCPXGY-VXGBXAGGSA-N 1 0 311.388 3.073 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000248789821 277216842 /nfs/dbraw/zinc/21/68/42/277216842.db2.gz NKKWMKZWQCPXGY-NEPJUHHUSA-N 1 0 311.388 3.073 10 0 DGAERO C[NH2+]C[C@@H]1CCCN(c2nc(C)nc3sc(C)c(C)c32)C1 ZINC000261615153 277275927 /nfs/dbraw/zinc/27/59/27/277275927.db2.gz FQMINIXTELYCEE-ZDUSSCGKSA-N 1 0 304.463 3.052 10 0 DGAERO C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175818194 277701548 /nfs/dbraw/zinc/70/15/48/277701548.db2.gz MXIRPYHUIRIGPN-HZPDHXFCSA-N 1 0 321.509 3.329 10 0 DGAERO CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170862902 278048424 /nfs/dbraw/zinc/04/84/24/278048424.db2.gz RQGCGEGSEKYAJX-YOEHRIQHSA-N 1 0 303.450 3.217 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000309840731 278147446 /nfs/dbraw/zinc/14/74/46/278147446.db2.gz CZLKHAVPTFREGZ-JFUSQASVSA-N 1 0 301.253 3.389 10 0 DGAERO CC1(C)CCCC[C@H]1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000156699543 278209570 /nfs/dbraw/zinc/20/95/70/278209570.db2.gz LPOAIENHXZBTCY-MRXNPFEDSA-N 1 0 307.482 3.225 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000434914194 278233671 /nfs/dbraw/zinc/23/36/71/278233671.db2.gz PPRKTKYNMDGMPY-MRXNPFEDSA-N 1 0 324.509 3.351 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1nccc(C(F)(F)F)n1 ZINC000301985715 278242717 /nfs/dbraw/zinc/24/27/17/278242717.db2.gz CRBSSDLKVIWXFR-LBPRGKRZSA-N 1 0 324.350 3.428 10 0 DGAERO CC1(C)CN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000333502106 278304692 /nfs/dbraw/zinc/30/46/92/278304692.db2.gz FNGTXRHSRKNXLC-BZPMIXESSA-N 1 0 307.463 3.111 10 0 DGAERO C[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)[C@H]1C[NH3+] ZINC000252210857 278344498 /nfs/dbraw/zinc/34/44/98/278344498.db2.gz WHAIRQYXUGYGMH-KWQFWETISA-N 1 0 307.747 3.317 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C(C)(C)C ZINC000247152955 278357761 /nfs/dbraw/zinc/35/77/61/278357761.db2.gz SYKQVWREKKLIHL-RBSFLKMASA-N 1 0 305.466 3.219 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000069135753 278370243 /nfs/dbraw/zinc/37/02/43/278370243.db2.gz WAGXPYOOXYFSDB-CZUORRHYSA-N 1 0 309.475 3.212 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)N1CCC(C)CC1 ZINC000192358460 278370807 /nfs/dbraw/zinc/37/08/07/278370807.db2.gz YXFMEQZPQQDMOQ-RHSMWYFYSA-N 1 0 316.445 3.006 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000248427489 278499286 /nfs/dbraw/zinc/49/92/86/278499286.db2.gz PLKFANCYPUXFEB-JYJNAYRXSA-N 1 0 302.466 3.298 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C2)n1 ZINC000195441401 279045812 /nfs/dbraw/zinc/04/58/12/279045812.db2.gz WIXQMEBKGFPJBS-LSDHHAIUSA-N 1 0 321.490 3.032 10 0 DGAERO C[C@H](C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203385 279228687 /nfs/dbraw/zinc/22/86/87/279228687.db2.gz QIOKPYGUFKYLML-XHJNMGKDSA-N 1 0 320.399 3.485 10 0 DGAERO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343691 279253306 /nfs/dbraw/zinc/25/33/06/279253306.db2.gz PVTVNYSVNOCKCP-CHWSQXEVSA-N 1 0 312.479 3.199 10 0 DGAERO Clc1ccc2[nH]c([C@@H]3CCCN3C3CC[NH2+]CC3)nc2c1 ZINC000038042454 279292483 /nfs/dbraw/zinc/29/24/83/279292483.db2.gz GKYUJOBEQMLTAK-HNNXBMFYSA-N 1 0 304.825 3.105 10 0 DGAERO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247001091 279362225 /nfs/dbraw/zinc/36/22/25/279362225.db2.gz JXKSDDSDLBPISO-VYDXJSESSA-N 1 0 317.429 3.217 10 0 DGAERO CCCO[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000108396187 431141194 /nfs/dbraw/zinc/14/11/94/431141194.db2.gz DUYOYOFAFCPJDP-ZWKOTPCHSA-N 1 0 321.461 3.016 10 0 DGAERO CC(C)N(C(=O)C[N@H+](C(C)C)C1CCOCC1)c1ccccc1 ZINC000077323086 279398888 /nfs/dbraw/zinc/39/88/88/279398888.db2.gz OFVYRMILZAUZJO-UHFFFAOYSA-N 1 0 318.461 3.317 10 0 DGAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000333303600 279403425 /nfs/dbraw/zinc/40/34/25/279403425.db2.gz KPXPLEBJAHAGFJ-WFASDCNBSA-N 1 0 302.422 3.083 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081771 431168196 /nfs/dbraw/zinc/16/81/96/431168196.db2.gz MPIVYNRGGPZOCO-CABCVRRESA-N 1 0 322.399 3.057 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1SCC(F)(F)F ZINC000111265495 431205474 /nfs/dbraw/zinc/20/54/74/431205474.db2.gz FLOXFKZVQZFNEE-NXEZZACHSA-N 1 0 318.364 3.135 10 0 DGAERO CCCc1noc(C[N@@H+]2CCC[C@H]2Cc2ccccc2OC)n1 ZINC000069683953 431214125 /nfs/dbraw/zinc/21/41/25/431214125.db2.gz MMLRIRZKISCUSC-HNNXBMFYSA-N 1 0 315.417 3.238 10 0 DGAERO Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)nc(-c2ccncc2)n1 ZINC000112074159 431245921 /nfs/dbraw/zinc/24/59/21/431245921.db2.gz ALUXWNKRHWNSIR-HNNXBMFYSA-N 1 0 311.433 3.133 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000070575458 431251280 /nfs/dbraw/zinc/25/12/80/431251280.db2.gz ORHFVGOVIOHDRY-QWRGUYRKSA-N 1 0 303.793 3.344 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H](Nc1cc[nH+]c3ccccc13)CC2 ZINC000112557180 431286431 /nfs/dbraw/zinc/28/64/31/431286431.db2.gz VSWUYHIFCNKTJH-ZDUSSCGKSA-N 1 0 307.401 3.377 10 0 DGAERO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000113938644 431369255 /nfs/dbraw/zinc/36/92/55/431369255.db2.gz RBOGIZGOICHSKN-INIZCTEOSA-N 1 0 318.461 3.497 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1coc2ccccc12)c1ccccc1 ZINC000113018013 431323594 /nfs/dbraw/zinc/32/35/94/431323594.db2.gz FCRJIZSIZLHYKJ-KRWDZBQOSA-N 1 0 308.381 3.466 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc2c1C ZINC000072016005 431326557 /nfs/dbraw/zinc/32/65/57/431326557.db2.gz QQSFNHSRWQCLGP-MRXNPFEDSA-N 1 0 315.461 3.491 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc2ncccc21 ZINC000113197131 431331539 /nfs/dbraw/zinc/33/15/39/431331539.db2.gz FZRCKOJXALNBJO-OAHLLOKOSA-N 1 0 311.429 3.229 10 0 DGAERO CSc1ccc(C)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113230257 431333771 /nfs/dbraw/zinc/33/37/71/431333771.db2.gz NDWOWEYYMMQVLO-KBPBESRZSA-N 1 0 304.459 3.026 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)sc1Cl ZINC000113226315 431334328 /nfs/dbraw/zinc/33/43/28/431334328.db2.gz CMOPYAOHZZPFEV-RKDXNWHRSA-N 1 0 319.257 3.364 10 0 DGAERO C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1F ZINC000113231318 431336438 /nfs/dbraw/zinc/33/64/38/431336438.db2.gz GMTSXMFLZUSVJH-QLFBSQMISA-N 1 0 304.409 3.014 10 0 DGAERO CCC(CC)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113577068 431355944 /nfs/dbraw/zinc/35/59/44/431355944.db2.gz LFNGRMDYDNMIFL-UHFFFAOYSA-N 1 0 317.477 3.481 10 0 DGAERO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000007607111 431357059 /nfs/dbraw/zinc/35/70/59/431357059.db2.gz SHMFOUQUWYHFKL-BFQNTYOBSA-N 1 0 310.388 3.310 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000007816458 431363701 /nfs/dbraw/zinc/36/37/01/431363701.db2.gz MAHXGOBADMQJJL-INIZCTEOSA-N 1 0 302.805 3.373 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000007817048 431364738 /nfs/dbraw/zinc/36/47/38/431364738.db2.gz TXUKXSDCHICRNT-IBGZPJMESA-N 1 0 308.425 3.208 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000114481350 431389680 /nfs/dbraw/zinc/38/96/80/431389680.db2.gz NCVOEYIZCPIKFM-KRWDZBQOSA-N 1 0 321.428 3.190 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)NCC1CCCCC1 ZINC000114482654 431391802 /nfs/dbraw/zinc/39/18/02/431391802.db2.gz XHGJMZXCRLZTSV-QGZVFWFLSA-N 1 0 318.465 3.023 10 0 DGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114588624 431398808 /nfs/dbraw/zinc/39/88/08/431398808.db2.gz SSSRTYZQXCEYFZ-QFBILLFUSA-N 1 0 317.477 3.003 10 0 DGAERO CC(C)c1nccc(NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000115518918 431456250 /nfs/dbraw/zinc/45/62/50/431456250.db2.gz TVTXNZSRVSPMQS-UHFFFAOYSA-N 1 0 302.397 3.413 10 0 DGAERO CCCCN(CC)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115695892 431470183 /nfs/dbraw/zinc/47/01/83/431470183.db2.gz PJZDPTHMIKOVDE-UHFFFAOYSA-N 1 0 309.429 3.219 10 0 DGAERO C[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000115784543 431471788 /nfs/dbraw/zinc/47/17/88/431471788.db2.gz DLKUKCUJIXJSHO-KBPBESRZSA-N 1 0 323.868 3.384 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000115740594 431473668 /nfs/dbraw/zinc/47/36/68/431473668.db2.gz JLOGCBFVFIWSDR-KRWDZBQOSA-N 1 0 309.425 3.214 10 0 DGAERO Cc1cccc(N2CCC(NC(=O)Cc3ccccc3C)CC2)n1 ZINC000116667697 431519104 /nfs/dbraw/zinc/51/91/04/431519104.db2.gz XVCLOSPVRNDYLK-UHFFFAOYSA-N 1 0 323.440 3.026 10 0 DGAERO [NH3+][C@@H](Cn1cnc2ccccc21)c1ccc(Br)cc1 ZINC000011849828 431483209 /nfs/dbraw/zinc/48/32/09/431483209.db2.gz SMJIBKXUVJEFCH-ZDUSSCGKSA-N 1 0 316.202 3.499 10 0 DGAERO Cc1cc(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)nc(C2CC2)n1 ZINC000116260631 431499677 /nfs/dbraw/zinc/49/96/77/431499677.db2.gz SDKHYECVCJVWGB-HNNXBMFYSA-N 1 0 323.444 3.304 10 0 DGAERO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000075843404 431499770 /nfs/dbraw/zinc/49/97/70/431499770.db2.gz RDWNGLYZWVLWRA-COXVUDFISA-N 1 0 309.425 3.385 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3coc(-c4ccccc4)n3)C2)cn1 ZINC000116312579 431502805 /nfs/dbraw/zinc/50/28/05/431502805.db2.gz YPPRGKPRANGJOP-OAHLLOKOSA-N 1 0 308.385 3.065 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)C2)cn1 ZINC000116318835 431503463 /nfs/dbraw/zinc/50/34/63/431503463.db2.gz KSARTHAVGLUVIM-GFCCVEGCSA-N 1 0 314.414 3.126 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000075964688 431509100 /nfs/dbraw/zinc/50/91/00/431509100.db2.gz AQUXNMQALGZLEZ-HNNXBMFYSA-N 1 0 306.475 3.015 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCCCCC2)cc1 ZINC000076409126 431548601 /nfs/dbraw/zinc/54/86/01/431548601.db2.gz DIMCOWXTZGYXLG-GOSISDBHSA-N 1 0 316.445 3.235 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3ncccc32)[C@H](C)C1 ZINC000076481140 431552075 /nfs/dbraw/zinc/55/20/75/431552075.db2.gz MSTSIGZBRUNOAI-KDOFPFPSSA-N 1 0 311.429 3.037 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC000076490842 431552658 /nfs/dbraw/zinc/55/26/58/431552658.db2.gz OZPOWHXNJKGPTA-MOAASNJQSA-N 1 0 318.505 3.392 10 0 DGAERO O=C(CC1CCOCC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000117412116 431563541 /nfs/dbraw/zinc/56/35/41/431563541.db2.gz CXSVRZOQBMSWPH-UHFFFAOYSA-N 1 0 302.418 3.038 10 0 DGAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(C)cc1 ZINC000105084030 280172694 /nfs/dbraw/zinc/17/26/94/280172694.db2.gz BPCHJOXUVQCPTJ-QZTJIDSGSA-N 1 0 315.461 3.326 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CCN1CCCCC1 ZINC000077173260 431569423 /nfs/dbraw/zinc/56/94/23/431569423.db2.gz RZLLAMKRJLTKGK-GOSISDBHSA-N 1 0 302.462 3.188 10 0 DGAERO CC(C)[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247363628 280220137 /nfs/dbraw/zinc/22/01/37/280220137.db2.gz CJJIIZDPIRTVID-SQWLQELKSA-N 1 0 323.506 3.475 10 0 DGAERO Cc1c(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cccc1C(F)(F)F ZINC000151109320 280246501 /nfs/dbraw/zinc/24/65/01/280246501.db2.gz DNYRVWCHCWHITG-QWRGUYRKSA-N 1 0 300.324 3.470 10 0 DGAERO O=C1[C@@H]([NH2+][C@@H]2CCCc3occc32)CCCN1c1ccccc1 ZINC000192866491 280315440 /nfs/dbraw/zinc/31/54/40/280315440.db2.gz NUIVEMHBJOTMQN-SJORKVTESA-N 1 0 310.397 3.442 10 0 DGAERO CC(C)[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1Cl ZINC000180167528 280335310 /nfs/dbraw/zinc/33/53/10/280335310.db2.gz LASGDMGVVCJHEF-LRDDRELGSA-N 1 0 304.825 3.233 10 0 DGAERO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261831574 280357910 /nfs/dbraw/zinc/35/79/10/280357910.db2.gz PZUJXEIADGGDEU-UHOFOFEASA-N 1 0 324.852 3.002 10 0 DGAERO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)Nc1ccccc1F ZINC000025439582 431657093 /nfs/dbraw/zinc/65/70/93/431657093.db2.gz JHTGOXNEOXTJFK-INIZCTEOSA-N 1 0 312.388 3.471 10 0 DGAERO CC[C@@H](NC(=O)NC[C@H](C)[NH+](CC)CC)c1ccc(OC)cc1 ZINC000077687490 431616494 /nfs/dbraw/zinc/61/64/94/431616494.db2.gz HKMAHAAZSBCCHP-WMLDXEAASA-N 1 0 321.465 3.176 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000118816299 431622173 /nfs/dbraw/zinc/62/21/73/431622173.db2.gz NBYSEIJGHMURMY-HUUCEWRRSA-N 1 0 319.449 3.200 10 0 DGAERO COc1ccc([C@@H](CCc2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000022041024 431633396 /nfs/dbraw/zinc/63/33/96/431633396.db2.gz NTLFZKGHUHWYHB-HXUWFJFHSA-N 1 0 310.441 3.274 10 0 DGAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000119305136 431674103 /nfs/dbraw/zinc/67/41/03/431674103.db2.gz ILLJJTIPADIRCW-GJZGRUSLSA-N 1 0 314.429 3.032 10 0 DGAERO C[C@H](C1CC1)[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000078535531 431679966 /nfs/dbraw/zinc/67/99/66/431679966.db2.gz YPWLBOSWIHXYSB-ACJLOTCBSA-N 1 0 323.864 3.480 10 0 DGAERO O=[S@@](CC1CC[NH+](CCC2CC2)CC1)c1ccc(F)cc1 ZINC000027439426 431688733 /nfs/dbraw/zinc/68/87/33/431688733.db2.gz JJEOUSQZJYEUMK-OAQYLSRUSA-N 1 0 309.450 3.445 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1 ZINC000119451956 431691024 /nfs/dbraw/zinc/69/10/24/431691024.db2.gz VUWOZZNWRQLYFE-XWTMOSNGSA-N 1 0 307.409 3.017 10 0 DGAERO O=C(C(c1ccccc1)c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932674 431697987 /nfs/dbraw/zinc/69/79/87/431697987.db2.gz WWPNEJYEOVXXNA-IBGZPJMESA-N 1 0 320.436 3.125 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000174236828 280625996 /nfs/dbraw/zinc/62/59/96/280625996.db2.gz VPGUDWJTPJVVGH-IAGOWNOFSA-N 1 0 302.462 3.418 10 0 DGAERO Cc1cc(NC(=O)CC[N@@H+](C)Cc2ccc(Cl)cc2)no1 ZINC000031006082 431749344 /nfs/dbraw/zinc/74/93/44/431749344.db2.gz XNUVYMROVBJNQX-UHFFFAOYSA-N 1 0 307.781 3.097 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)CCc1ccccc1F ZINC000080248029 431764636 /nfs/dbraw/zinc/76/46/36/431764636.db2.gz YGMGDLKNQIBALP-GJZGRUSLSA-N 1 0 308.441 3.241 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccco2)cc1 ZINC000121492905 431794888 /nfs/dbraw/zinc/79/48/88/431794888.db2.gz GISBHNGIZKPDLQ-WMLDXEAASA-N 1 0 303.402 3.070 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Br)cc1 ZINC000083551047 431809816 /nfs/dbraw/zinc/80/98/16/431809816.db2.gz YZHOKGCVSNOOBW-SWLSCSKDSA-N 1 0 309.251 3.118 10 0 DGAERO Cc1ncc(C[NH2+]C[C@@](C)(O)CCC(C)C)n1-c1ccccc1 ZINC000084046477 431813158 /nfs/dbraw/zinc/81/31/58/431813158.db2.gz AURGHORJLLNLBK-IBGZPJMESA-N 1 0 315.461 3.458 10 0 DGAERO Cc1ncc(C[NH2+]C[C@](C)(O)CCC(C)C)n1-c1ccccc1 ZINC000084046474 431813307 /nfs/dbraw/zinc/81/33/07/431813307.db2.gz AURGHORJLLNLBK-LJQANCHMSA-N 1 0 315.461 3.458 10 0 DGAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000080518309 431769238 /nfs/dbraw/zinc/76/92/38/431769238.db2.gz WQIAUIPGYUZTDH-IUCAKERBSA-N 1 0 306.631 3.209 10 0 DGAERO CCOc1cc(C[NH2+]C)cc(Br)c1OC(C)C ZINC000036824733 431842040 /nfs/dbraw/zinc/84/20/40/431842040.db2.gz FKWLISLNOKAIDK-UHFFFAOYSA-N 1 0 302.212 3.354 10 0 DGAERO Cc1cc2cc(NC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)ccc2[nH]1 ZINC000122706392 431842456 /nfs/dbraw/zinc/84/24/56/431842456.db2.gz ADWOMVFJFDENJI-YVEFUNNKSA-N 1 0 314.433 3.327 10 0 DGAERO C[C@@H](c1ccccc1Cl)N1CCN(Cc2ccon2)CC1 ZINC000122708551 431842528 /nfs/dbraw/zinc/84/25/28/431842528.db2.gz PCJBYJVTTUXRCC-ZDUSSCGKSA-N 1 0 305.809 3.207 10 0 DGAERO C[C@@H]1C[NH2+][C@@H](C)CN1CCOc1c(Cl)cccc1Cl ZINC000086470716 431845728 /nfs/dbraw/zinc/84/57/28/431845728.db2.gz DVDBUBRZRJDCKF-WDEREUQCSA-N 1 0 303.233 3.054 10 0 DGAERO CCn1c(C[NH2+]CC2CC2)nc2cc(Br)ccc21 ZINC000037441492 431847013 /nfs/dbraw/zinc/84/70/13/431847013.db2.gz RIGBASOLJFMGEN-UHFFFAOYSA-N 1 0 308.223 3.318 10 0 DGAERO [NH3+]C1CCC(c2nc(-c3ccc(Br)cc3)no2)CC1 ZINC000037562328 431847861 /nfs/dbraw/zinc/84/78/61/431847861.db2.gz SCXMMAWHLSUBJF-UHFFFAOYSA-N 1 0 322.206 3.484 10 0 DGAERO CC[C@](C)(O)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000087013375 431848370 /nfs/dbraw/zinc/84/83/70/431848370.db2.gz DMBAVNUNWCGLMV-WBMJQRKESA-N 1 0 301.377 3.360 10 0 DGAERO C[C@H](CN1CCCC1=O)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000037782602 431849842 /nfs/dbraw/zinc/84/98/42/431849842.db2.gz APIFWORYLDSJGE-PXAZEXFGSA-N 1 0 306.837 3.392 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccs2)c(C)c1 ZINC000037890202 431851795 /nfs/dbraw/zinc/85/17/95/431851795.db2.gz ADUSENXGVJRSCH-GJZGRUSLSA-N 1 0 305.443 3.455 10 0 DGAERO CC(C)(C)c1nc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917962 431851875 /nfs/dbraw/zinc/85/18/75/431851875.db2.gz KZKUWHBZYVWBFI-ZFWWWQNUSA-N 1 0 307.507 3.405 10 0 DGAERO Fc1cc(Br)ccc1C[NH2+]CC[C@H]1CCCO1 ZINC000037988747 431853015 /nfs/dbraw/zinc/85/30/15/431853015.db2.gz AFRRJROOKYWUPY-GFCCVEGCSA-N 1 0 302.187 3.247 10 0 DGAERO C[C@H]([NH2+]C[C@H]1COCCO1)c1c(Cl)ccc(F)c1Cl ZINC000038060342 431854056 /nfs/dbraw/zinc/85/40/56/431854056.db2.gz ZRWGFJPJOIDMHF-IUCAKERBSA-N 1 0 308.180 3.199 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2csc(Br)c2)CC[N@@H+]1C ZINC000123100793 431855075 /nfs/dbraw/zinc/85/50/75/431855075.db2.gz PXWHKYYEGJVGDH-ZYHUDNBSSA-N 1 0 317.296 3.425 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)cc1OC ZINC000123114896 431855749 /nfs/dbraw/zinc/85/57/49/431855749.db2.gz VKCLXRYPQLZMNT-GOEBONIOSA-N 1 0 308.466 3.331 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2ncc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000123139163 431856762 /nfs/dbraw/zinc/85/67/62/431856762.db2.gz FOHLXXKNBASKDC-ZIAGYGMSSA-N 1 0 317.408 3.395 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123173691 431857189 /nfs/dbraw/zinc/85/71/89/431857189.db2.gz CDPXLWOYTYVJCG-OCCSQVGLSA-N 1 0 324.852 3.026 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123168189 431857451 /nfs/dbraw/zinc/85/74/51/431857451.db2.gz OPKWPIFQNPUWKP-FZMZJTMJSA-N 1 0 314.351 3.260 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000040713159 431858091 /nfs/dbraw/zinc/85/80/91/431858091.db2.gz DAXRXRORWCRSGL-UHFFFAOYSA-N 1 0 304.287 3.301 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123302941 431860799 /nfs/dbraw/zinc/86/07/99/431860799.db2.gz VPSSFQXCKZTWBD-DZGCQCFKSA-N 1 0 302.418 3.113 10 0 DGAERO Cc1nn(C)c(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1Br ZINC000089231810 431862012 /nfs/dbraw/zinc/86/20/12/431862012.db2.gz GCCFHIIZGSHODX-MWLCHTKSSA-N 1 0 300.244 3.159 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000123414998 431863760 /nfs/dbraw/zinc/86/37/60/431863760.db2.gz YZYPXHGKTCCXOJ-KRWDZBQOSA-N 1 0 316.424 3.132 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000123406734 431864144 /nfs/dbraw/zinc/86/41/44/431864144.db2.gz LVMJPSYTXQLWIH-GOSISDBHSA-N 1 0 312.461 3.301 10 0 DGAERO CC(C)[C@@H](CNC(=O)Nc1nccs1)[NH+]1CCCCCC1 ZINC000042758951 431864803 /nfs/dbraw/zinc/86/48/03/431864803.db2.gz DWQNVBPBNTVTPQ-CYBMUJFWSA-N 1 0 310.467 3.165 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(Cl)s1 ZINC000123517222 431867659 /nfs/dbraw/zinc/86/76/59/431867659.db2.gz WHTQXEUDWAAQBA-VXGBXAGGSA-N 1 0 302.871 3.163 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000089518126 431868643 /nfs/dbraw/zinc/86/86/43/431868643.db2.gz JWGDPZKNLOSZPM-CYBMUJFWSA-N 1 0 303.406 3.306 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(Cl)c1F ZINC000043450136 431868669 /nfs/dbraw/zinc/86/86/69/431868669.db2.gz MMLMXGUCCVNUKE-JTQLQIEISA-N 1 0 301.793 3.331 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000089517840 431869221 /nfs/dbraw/zinc/86/92/21/431869221.db2.gz CGNBSUFHQXISBZ-VIFPVBQESA-N 1 0 315.295 3.170 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2csc3ccccc23)CC[N@@H+]1C ZINC000123618330 431869793 /nfs/dbraw/zinc/86/97/93/431869793.db2.gz MYGNJOYTTLISQY-QWHCGFSZSA-N 1 0 302.443 3.456 10 0 DGAERO O=C(Cc1ccc(F)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000122336777 431828230 /nfs/dbraw/zinc/82/82/30/431828230.db2.gz LDKTZDQBFFUIFD-UHFFFAOYSA-N 1 0 324.827 3.108 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C(/C)c2ccccc2)[C@H](C)C1 ZINC000122394143 431830930 /nfs/dbraw/zinc/83/09/30/431830930.db2.gz LKHIRYDXNDWNDT-WWVZVDDJSA-N 1 0 300.446 3.279 10 0 DGAERO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)CC(C)(C)O)o1 ZINC000035741912 431833810 /nfs/dbraw/zinc/83/38/10/431833810.db2.gz XSDIDPKMQNOSDN-UHFFFAOYSA-N 1 0 317.385 3.090 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CCN1C ZINC000123734642 431873014 /nfs/dbraw/zinc/87/30/14/431873014.db2.gz OPKGISLLWUMYEM-XJKSGUPXSA-N 1 0 323.868 3.083 10 0 DGAERO CCOC(=O)CC[NH2+][C@H](C)c1ccccc1Br ZINC000044288395 431873050 /nfs/dbraw/zinc/87/30/50/431873050.db2.gz VKWBUGPRCWTJQZ-SNVBAGLBSA-N 1 0 300.196 3.053 10 0 DGAERO Cc1cc(F)ccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000047353070 431909324 /nfs/dbraw/zinc/90/93/24/431909324.db2.gz PFKCNXARUQETMO-UHFFFAOYSA-N 1 0 305.397 3.226 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000125199449 431917583 /nfs/dbraw/zinc/91/75/83/431917583.db2.gz PDCJJBGCDXXTOO-TUVASFSCSA-N 1 0 306.475 3.101 10 0 DGAERO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1N(C)C ZINC000093942427 431918445 /nfs/dbraw/zinc/91/84/45/431918445.db2.gz BEMSBIWFTQNECG-INIZCTEOSA-N 1 0 324.472 3.467 10 0 DGAERO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1 ZINC000048050367 431918562 /nfs/dbraw/zinc/91/85/62/431918562.db2.gz LVUZHTUNJTYBPX-UHFFFAOYSA-N 1 0 315.392 3.421 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095088800 431921138 /nfs/dbraw/zinc/92/11/38/431921138.db2.gz LIZNYKMBCGQLTG-KBPBESRZSA-N 1 0 307.438 3.265 10 0 DGAERO O=C(OCc1ccccc1)N1CCC[C@@H](CC[NH2+]C2CC2)C1 ZINC000095077823 431921727 /nfs/dbraw/zinc/92/17/27/431921727.db2.gz YEEKLYWQMYTUSH-HNNXBMFYSA-N 1 0 302.418 3.177 10 0 DGAERO CCCc1cc(NC[C@@](C)(O)c2cnn(C)c2)c2ccccc2[nH+]1 ZINC000125470103 431926513 /nfs/dbraw/zinc/92/65/13/431926513.db2.gz OUVVCRDSTDNSDM-LJQANCHMSA-N 1 0 324.428 3.240 10 0 DGAERO CCc1ccc([C@@H](C)N[C@@H]2CCCn3nc(COC)nc32)s1 ZINC000125392241 431924004 /nfs/dbraw/zinc/92/40/04/431924004.db2.gz YAHUKUVTAAFBKJ-DGCLKSJQSA-N 1 0 320.462 3.234 10 0 DGAERO C/C(=C/C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000123786502 431874606 /nfs/dbraw/zinc/87/46/06/431874606.db2.gz SIDLTZKGBMGHLE-JAVQZPJPSA-N 1 0 304.409 3.170 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C2(c3cccc(F)c3)CCC2)CC[N@@H+]1C ZINC000123831833 431875114 /nfs/dbraw/zinc/87/51/14/431875114.db2.gz BUTPBZZHSJTKFQ-WMLDXEAASA-N 1 0 318.436 3.189 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(-n3cccc3)c2)CC[N@@H+]1C ZINC000123880825 431876683 /nfs/dbraw/zinc/87/66/83/431876683.db2.gz WNDLOOFJJZQTOT-NVXWUHKLSA-N 1 0 311.429 3.032 10 0 DGAERO CC(C)[C@@H](O)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000123883850 431876688 /nfs/dbraw/zinc/87/66/88/431876688.db2.gz QVOZPDAKGSRSKL-DOMZBBRYSA-N 1 0 301.377 3.216 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123966910 431879801 /nfs/dbraw/zinc/87/98/01/431879801.db2.gz WVCKUSROMUKIRZ-NVXWUHKLSA-N 1 0 302.462 3.196 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1nc(C(C)(C)C)cs1 ZINC000124023687 431880902 /nfs/dbraw/zinc/88/09/02/431880902.db2.gz OYYIDQQPQLLGPP-KGLIPLIRSA-N 1 0 307.507 3.499 10 0 DGAERO CCOc1cc(C[NH2+]C[C@](C)(O)CCC(C)C)ccc1OC ZINC000124045686 431882038 /nfs/dbraw/zinc/88/20/38/431882038.db2.gz FGTFENBYISKWHS-GOSISDBHSA-N 1 0 309.450 3.371 10 0 DGAERO CCc1nc(C)c([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)s1 ZINC000124161536 431884454 /nfs/dbraw/zinc/88/44/54/431884454.db2.gz NNJJAGJOCROMBS-LLVKDONJSA-N 1 0 306.479 3.258 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000124141541 431884808 /nfs/dbraw/zinc/88/48/08/431884808.db2.gz OHYYYYBBVNHTDB-CJNGLKHVSA-N 1 0 320.864 3.313 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000124212175 431885939 /nfs/dbraw/zinc/88/59/39/431885939.db2.gz RMVQTBKYHOTEBU-GOSISDBHSA-N 1 0 313.445 3.391 10 0 DGAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000124310272 431889948 /nfs/dbraw/zinc/88/99/48/431889948.db2.gz XLFQLSXMBRFGOM-CYBMUJFWSA-N 1 0 303.450 3.178 10 0 DGAERO CC(C)C1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000090230507 431890572 /nfs/dbraw/zinc/89/05/72/431890572.db2.gz BEARQMSFFMBGAK-CQSZACIVSA-N 1 0 324.490 3.024 10 0 DGAERO c1ccc(N2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)nc1 ZINC000124345522 431890803 /nfs/dbraw/zinc/89/08/03/431890803.db2.gz VVOVMKHSILBEEX-IBGZPJMESA-N 1 0 307.441 3.198 10 0 DGAERO COc1ccc([C@H](C)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000090773167 431894749 /nfs/dbraw/zinc/89/47/49/431894749.db2.gz HKGAYORIIRLIKC-DOTOQJQBSA-N 1 0 320.477 3.475 10 0 DGAERO CCCc1cc(N2CCN(C(=O)CC)CC2)c2ccccc2[nH+]1 ZINC000124463768 431894914 /nfs/dbraw/zinc/89/49/14/431894914.db2.gz FGEGBBZDGGFVKU-UHFFFAOYSA-N 1 0 311.429 3.246 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)CC[N@@H+]1C ZINC000124518408 431896362 /nfs/dbraw/zinc/89/63/62/431896362.db2.gz BPISDGHRSCWZOQ-USCDJENESA-N 1 0 304.478 3.144 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000090879228 431896600 /nfs/dbraw/zinc/89/66/00/431896600.db2.gz MSIVDUUOVFTOTO-STQMWFEESA-N 1 0 311.364 3.213 10 0 DGAERO COC[C@H](O)CC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000090950135 431898436 /nfs/dbraw/zinc/89/84/36/431898436.db2.gz FGYXWXRRBGUYIZ-WBVHZDCISA-N 1 0 319.445 3.200 10 0 DGAERO CC(C)NC(=O)CC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000046502839 431898599 /nfs/dbraw/zinc/89/85/99/431898599.db2.gz GILPMOYYRYTMCE-UHFFFAOYSA-N 1 0 300.402 3.197 10 0 DGAERO C[NH+](C)[C@H]1CCN(c2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000124596107 431899014 /nfs/dbraw/zinc/89/90/14/431899014.db2.gz KLTVJPJQXVEYBE-LBPRGKRZSA-N 1 0 309.335 3.394 10 0 DGAERO FC(F)CN1CCC[N@H+](Cc2ccc3ccccc3n2)CC1 ZINC000091083410 431902200 /nfs/dbraw/zinc/90/22/00/431902200.db2.gz SKHMLFDEORUHEX-UHFFFAOYSA-N 1 0 305.372 3.008 10 0 DGAERO CCc1ccc(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124744450 431903548 /nfs/dbraw/zinc/90/35/48/431903548.db2.gz DFXXZOCGYSOJGU-QAPCUYQASA-N 1 0 302.462 3.123 10 0 DGAERO CCCc1cc(N[C@@H]2CCc3ncnn3C2)c2ccccc2[nH+]1 ZINC000124762129 431903791 /nfs/dbraw/zinc/90/37/91/431903791.db2.gz RPOMNEZKXAFFBK-CQSZACIVSA-N 1 0 307.401 3.206 10 0 DGAERO Cc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cncn2)C2CC2)cc1 ZINC000091285717 431904004 /nfs/dbraw/zinc/90/40/04/431904004.db2.gz OTYHJEOWBPQWFH-GOSISDBHSA-N 1 0 319.412 3.212 10 0 DGAERO c1cc(OC[C@H]2CCCO2)ccc1C[N@@H+]1CCCSCC1 ZINC000091701582 431904549 /nfs/dbraw/zinc/90/45/49/431904549.db2.gz VBUOJVNCGQAGKK-QGZVFWFLSA-N 1 0 307.459 3.183 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000124781318 431904639 /nfs/dbraw/zinc/90/46/39/431904639.db2.gz SCFFVLLHMXHNDQ-UKRRQHHQSA-N 1 0 308.853 3.214 10 0 DGAERO Cc1cc(CN2CCC([NH+](C)C)CC2)c(OC(F)F)cc1C ZINC000091671723 431905094 /nfs/dbraw/zinc/90/50/94/431905094.db2.gz UOXPERVGHNHJNC-UHFFFAOYSA-N 1 0 312.404 3.431 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000124812477 431905195 /nfs/dbraw/zinc/90/51/95/431905195.db2.gz NEFSOJWZVDWZEG-BXUZGUMPSA-N 1 0 314.351 3.260 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccc(Cl)cc2)C1 ZINC000054510429 431971541 /nfs/dbraw/zinc/97/15/41/431971541.db2.gz IKOQGZMGYHOOLD-HNNXBMFYSA-N 1 0 323.868 3.213 10 0 DGAERO C[C@H]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000098032530 431975830 /nfs/dbraw/zinc/97/58/30/431975830.db2.gz JUEJKZHUPVWPJW-HOTGVXAUSA-N 1 0 307.482 3.083 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)CCCc2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000127584990 431976122 /nfs/dbraw/zinc/97/61/22/431976122.db2.gz SJQZLGRXZJOPOG-GXTWGEPZSA-N 1 0 322.399 3.029 10 0 DGAERO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000098123314 431979332 /nfs/dbraw/zinc/97/93/32/431979332.db2.gz ZAFXFSIVVGTDAL-MNOVXSKESA-N 1 0 300.805 3.435 10 0 DGAERO COCCCCn1cc(C[NH2+]C2CC2)c2c1nccc2Cl ZINC000095937252 431926894 /nfs/dbraw/zinc/92/68/94/431926894.db2.gz MYYIEVCUYVISTD-UHFFFAOYSA-N 1 0 307.825 3.368 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2cnn(-c3cccc(Cl)c3)c2)C[N@@H+]1C ZINC000096009214 431934482 /nfs/dbraw/zinc/93/44/82/431934482.db2.gz LPMLJUZJXHZBSX-GUYCJALGSA-N 1 0 318.852 3.050 10 0 DGAERO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc(Cl)n1 ZINC000125752110 431934939 /nfs/dbraw/zinc/93/49/39/431934939.db2.gz YHQKGFJMERVBID-OAHLLOKOSA-N 1 0 317.820 3.076 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc2c(c1)CCCC2 ZINC000125765821 431935032 /nfs/dbraw/zinc/93/50/32/431935032.db2.gz DTZVARQNRNCOBV-HNAYVOBHSA-N 1 0 303.446 3.005 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(-c2ccccc2)ns1 ZINC000126404620 431949610 /nfs/dbraw/zinc/94/96/10/431949610.db2.gz YYOGWJOTCKMUCH-LSDHHAIUSA-N 1 0 314.458 3.268 10 0 DGAERO Cc1cc(N2CC[C@@H](c3cnn(C)c3)C2)c2cc(F)ccc2[nH+]1 ZINC000126440048 431950866 /nfs/dbraw/zinc/95/08/66/431950866.db2.gz WNXAEGBSECSHRV-CYBMUJFWSA-N 1 0 310.376 3.410 10 0 DGAERO Clc1ccc2c(c1)[C@@H]([NH2+]CCCn1ccnn1)CCS2 ZINC000126571743 431953350 /nfs/dbraw/zinc/95/33/50/431953350.db2.gz BZTSJXDDYXPTPB-ZDUSSCGKSA-N 1 0 308.838 3.148 10 0 DGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000051996989 431953709 /nfs/dbraw/zinc/95/37/09/431953709.db2.gz MVXGBULVMZZWEY-CABCVRRESA-N 1 0 306.406 3.342 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000052075744 431954314 /nfs/dbraw/zinc/95/43/14/431954314.db2.gz FZBJAFPQSDOESK-INIZCTEOSA-N 1 0 311.853 3.480 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000052592576 431956661 /nfs/dbraw/zinc/95/66/61/431956661.db2.gz UHDKJQPCJNCIGJ-BBRMVZONSA-N 1 0 307.413 3.012 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccc(C)cc2)C1 ZINC000052594111 431957616 /nfs/dbraw/zinc/95/76/16/431957616.db2.gz DWIFBCGBSYLBLU-RDJZCZTQSA-N 1 0 303.450 3.182 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261596673 280993294 /nfs/dbraw/zinc/99/32/94/280993294.db2.gz MFRXQQODNNXZBA-SDDRHHMPSA-N 1 0 306.372 3.002 10 0 DGAERO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CCc1ccc(F)cc1 ZINC000097268736 431967136 /nfs/dbraw/zinc/96/71/36/431967136.db2.gz BLXMBNFVTBEUPU-OAHLLOKOSA-N 1 0 306.425 3.091 10 0 DGAERO C[NH+](C)C[C@H](NCc1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000097393950 431968457 /nfs/dbraw/zinc/96/84/57/431968457.db2.gz NANJDNBTYZEALA-KRWDZBQOSA-N 1 0 300.450 3.031 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000054291123 431969440 /nfs/dbraw/zinc/96/94/40/431969440.db2.gz IWMHZZREPZMPLP-SECBINFHSA-N 1 0 304.287 3.173 10 0 DGAERO C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000097466602 431969855 /nfs/dbraw/zinc/96/98/55/431969855.db2.gz BSUFCOLUUVSNCV-GFCCVEGCSA-N 1 0 306.372 3.052 10 0 DGAERO CC(C)OCCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127358564 431970281 /nfs/dbraw/zinc/97/02/81/431970281.db2.gz ANYZOMDJLKJEMK-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO CC[C@H]1CCC[C@H]1NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000465363117 281091967 /nfs/dbraw/zinc/09/19/67/281091967.db2.gz INBOLAYNCUEATI-DLBZAZTESA-N 1 0 309.498 3.329 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(c3ncccn3)C1)CC2 ZINC000178194328 281095744 /nfs/dbraw/zinc/09/57/44/281095744.db2.gz BJVZNQMUWTYFMB-AEFFLSMTSA-N 1 0 308.429 3.031 10 0 DGAERO Cc1ccc(CCCC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000127995244 431985856 /nfs/dbraw/zinc/98/58/56/431985856.db2.gz MKZTWPBAXIOLML-LJQANCHMSA-N 1 0 314.473 3.262 10 0 DGAERO C[C@H](c1ccco1)[N@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000128029112 431986345 /nfs/dbraw/zinc/98/63/45/431986345.db2.gz UTNBOCHECJRVNY-CRAIPNDOSA-N 1 0 315.413 3.383 10 0 DGAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCC2CCCC2)o1 ZINC000056870307 431989858 /nfs/dbraw/zinc/98/98/58/431989858.db2.gz ADIRKXZKWJAZBX-UHFFFAOYSA-N 1 0 321.465 3.242 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000159150670 281382978 /nfs/dbraw/zinc/38/29/78/281382978.db2.gz MQVDTMMNFYTSRO-QFBILLFUSA-N 1 0 310.441 3.345 10 0 DGAERO CC(C)(C)SCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000248136703 432270127 /nfs/dbraw/zinc/27/01/27/432270127.db2.gz AGHMDGKLRRCMQO-UHFFFAOYSA-N 1 0 320.502 3.430 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@H]1c1ccccc1 ZINC000248137172 432270165 /nfs/dbraw/zinc/27/01/65/432270165.db2.gz XTNBXRYLQBNMKP-IAGOWNOFSA-N 1 0 316.351 3.140 10 0 DGAERO CSc1ccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248166534 432271905 /nfs/dbraw/zinc/27/19/05/432271905.db2.gz TVHVTTCQHHRATG-MAUKXSAKSA-N 1 0 321.486 3.414 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc4ccccc4c3)CC[C@H]21 ZINC000248144413 432272305 /nfs/dbraw/zinc/27/23/05/432272305.db2.gz PYOYYQIBSGXDOP-WOJBJXKFSA-N 1 0 322.452 3.325 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(Cc3ncc(-c4ccccc4)o3)CC[C@H]21 ZINC000248217490 432275334 /nfs/dbraw/zinc/27/53/34/432275334.db2.gz ZWXMLXZLNHZMQJ-IAGOWNOFSA-N 1 0 311.429 3.258 10 0 DGAERO c1csc(-c2nc(CN3CC[N@@H+]4CCCC[C@H]4C3)co2)c1 ZINC000248324494 432278217 /nfs/dbraw/zinc/27/82/17/432278217.db2.gz AQLOXZTVJVPKGL-AWEZNQCLSA-N 1 0 303.431 3.073 10 0 DGAERO COC(=O)c1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)cc1 ZINC000191573797 432278667 /nfs/dbraw/zinc/27/86/67/432278667.db2.gz VRZMBYNHJQQLGJ-UHFFFAOYSA-N 1 0 313.397 3.128 10 0 DGAERO CC[C@@H](C)C[N@H+](CC)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248326561 432278960 /nfs/dbraw/zinc/27/89/60/432278960.db2.gz BYSISONUAQEAPT-CHWSQXEVSA-N 1 0 308.388 3.155 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248347600 432279636 /nfs/dbraw/zinc/27/96/36/432279636.db2.gz NPCGXIPQEIQBBY-YOEHRIQHSA-N 1 0 314.408 3.304 10 0 DGAERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cccc(F)c1F ZINC000183296680 432280046 /nfs/dbraw/zinc/28/00/46/432280046.db2.gz GELAUKVRHWNSFB-LLVKDONJSA-N 1 0 324.396 3.497 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCCCCC2CCCC2)CC[N@@H+]1C ZINC000173462480 432280684 /nfs/dbraw/zinc/28/06/84/432280684.db2.gz NDFJTPPRKGDVQV-RDJZCZTQSA-N 1 0 309.498 3.471 10 0 DGAERO C[C@@H]1C[C@H](C(=O)NC2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC000183316778 432281348 /nfs/dbraw/zinc/28/13/48/432281348.db2.gz YUUSREPFONMTQD-ZBFHGGJFSA-N 1 0 306.494 3.439 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000248383799 432282744 /nfs/dbraw/zinc/28/27/44/432282744.db2.gz BMTQVMDEFRXBBL-DOTOQJQBSA-N 1 0 316.424 3.151 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]1)N(Cc1ccccc1)C1CCCCC1 ZINC000151880790 432284668 /nfs/dbraw/zinc/28/46/68/432284668.db2.gz WVFMJTAWVLWASV-KRWDZBQOSA-N 1 0 300.446 3.490 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2nc3ccccc3n2C(F)F)CC[N@@H+]1C ZINC000173528554 432284711 /nfs/dbraw/zinc/28/47/11/432284711.db2.gz LMHMBHCAAGFOSW-OLZOCXBDSA-N 1 0 322.403 3.346 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)cc2Cl)[C@H](C)C1 ZINC000191633099 432286249 /nfs/dbraw/zinc/28/62/49/432286249.db2.gz XCIURTIUDJVXCH-CZUORRHYSA-N 1 0 308.853 3.451 10 0 DGAERO C[C@](O)(C[NH2+]Cc1cc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000191668867 432288974 /nfs/dbraw/zinc/28/89/74/432288974.db2.gz VFWFOZKNPBMVKO-IBGZPJMESA-N 1 0 313.445 3.498 10 0 DGAERO CN(C)C(=O)CC[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000191701046 432293748 /nfs/dbraw/zinc/29/37/48/432293748.db2.gz DYIIBKXLRANNKB-GOSISDBHSA-N 1 0 314.404 3.177 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1N(C)C ZINC000173698243 432294284 /nfs/dbraw/zinc/29/42/84/432294284.db2.gz VYVZUCGHHKJDQJ-GOSISDBHSA-N 1 0 312.461 3.440 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)n1C ZINC000173745082 432298427 /nfs/dbraw/zinc/29/84/27/432298427.db2.gz LFFGVJYGLFBEOV-DOTOQJQBSA-N 1 0 323.440 3.001 10 0 DGAERO CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1OC ZINC000191754840 432299690 /nfs/dbraw/zinc/29/96/90/432299690.db2.gz YBJOROZFFBFTPC-GDBMZVCRSA-N 1 0 307.434 3.389 10 0 DGAERO CC(C)COC[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccco1 ZINC000248557316 432301133 /nfs/dbraw/zinc/30/11/33/432301133.db2.gz ILMWXKAZQXFUIT-JENIJYKNSA-N 1 0 315.413 3.241 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c(OCC)c2)C1 ZINC000173810145 432301317 /nfs/dbraw/zinc/30/13/17/432301317.db2.gz WHVCZTMCNJRKEG-MRXNPFEDSA-N 1 0 318.461 3.198 10 0 DGAERO CC(C)CCn1cccc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128558576 431996065 /nfs/dbraw/zinc/99/60/65/431996065.db2.gz OYAKIBSVXUTBSZ-INIZCTEOSA-N 1 0 300.450 3.257 10 0 DGAERO c1cc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128565080 431996174 /nfs/dbraw/zinc/99/61/74/431996174.db2.gz DDXKHEJVFRLZCJ-MRXNPFEDSA-N 1 0 322.412 3.450 10 0 DGAERO Cc1noc([C@@H](C)N2CC[NH+]([C@H](C)c3ccccc3C)CC2)n1 ZINC000128695421 431998535 /nfs/dbraw/zinc/99/85/35/431998535.db2.gz VVZAIBLJRVSQAZ-HUUCEWRRSA-N 1 0 314.433 3.126 10 0 DGAERO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000102927381 431999638 /nfs/dbraw/zinc/99/96/38/431999638.db2.gz BAYJWSSUSLGNOX-UONOGXRCSA-N 1 0 318.383 3.052 10 0 DGAERO CCc1ccc2c(C[NH2+][C@H](C)[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000183127241 432261486 /nfs/dbraw/zinc/26/14/86/432261486.db2.gz JDAQXNZTSYACMI-WBMJQRKESA-N 1 0 301.386 3.013 10 0 DGAERO CCC1(CC)[C@H]([NH2+]Cc2nc(-c3ccoc3)no2)[C@@H](C)[C@@H]1OC ZINC000191403983 432262043 /nfs/dbraw/zinc/26/20/43/432262043.db2.gz QGHAJHWLQBNRRN-DFBGVHRSSA-N 1 0 319.405 3.259 10 0 DGAERO CSCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248033269 432262843 /nfs/dbraw/zinc/26/28/43/432262843.db2.gz KRVXECPACBYXEJ-NVXWUHKLSA-N 1 0 306.475 3.081 10 0 DGAERO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1C ZINC000248041850 432263838 /nfs/dbraw/zinc/26/38/38/432263838.db2.gz MDOVWXVUTGNVAM-MJGOQNOKSA-N 1 0 324.424 3.179 10 0 DGAERO c1cn(CCC[NH+]2CCC(CN3CCc4ccccc43)CC2)cn1 ZINC000183177525 432264457 /nfs/dbraw/zinc/26/44/57/432264457.db2.gz SEDLOTTYLZMCSB-UHFFFAOYSA-N 1 0 324.472 3.048 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccncc1 ZINC000248059869 432265192 /nfs/dbraw/zinc/26/51/92/432265192.db2.gz YBIIYACWDMFPDJ-JTDSTZFVSA-N 1 0 310.445 3.038 10 0 DGAERO Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CCCSC3)n2)cc1 ZINC000183178079 432265547 /nfs/dbraw/zinc/26/55/47/432265547.db2.gz RZELPASUZJQPGK-CQSZACIVSA-N 1 0 321.421 3.294 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000248077760 432266783 /nfs/dbraw/zinc/26/67/83/432266783.db2.gz RJCYXSIYJADVKT-RBUKOAKNSA-N 1 0 319.408 3.343 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2CCCC2(C)C)[C@@H]1c1ccccc1 ZINC000248062517 432266801 /nfs/dbraw/zinc/26/68/01/432266801.db2.gz PHBGFDJEKZYQCP-HOTGVXAUSA-N 1 0 301.434 3.016 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248747946 432316105 /nfs/dbraw/zinc/31/61/05/432316105.db2.gz FQDWLJPUTWQYPV-JCURWCKSSA-N 1 0 307.482 3.150 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@@H]2CCC[C@H]2O)s1 ZINC000248744621 432316636 /nfs/dbraw/zinc/31/66/36/432316636.db2.gz RWMINZDTNYKHOH-VHSXEESVSA-N 1 0 308.369 3.063 10 0 DGAERO c1nc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)co1 ZINC000191950448 432317721 /nfs/dbraw/zinc/31/77/21/432317721.db2.gz ARDYPIDIYGIXFZ-MJGOQNOKSA-N 1 0 311.429 3.161 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000248768840 432317779 /nfs/dbraw/zinc/31/77/79/432317779.db2.gz XTPMINPRZYUZFA-CHWSQXEVSA-N 1 0 307.825 3.349 10 0 DGAERO CC(C)N1CCC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)C1=O ZINC000248797482 432318500 /nfs/dbraw/zinc/31/85/00/432318500.db2.gz PIUYYHQGIGOQEX-QWHCGFSZSA-N 1 0 320.399 3.296 10 0 DGAERO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000248824593 432319786 /nfs/dbraw/zinc/31/97/86/432319786.db2.gz GQKCBZDHTHNOFZ-QZTJIDSGSA-N 1 0 313.441 3.488 10 0 DGAERO CC/C=C/CC[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191986966 432320291 /nfs/dbraw/zinc/32/02/91/432320291.db2.gz RVTUKIPRHBHOFY-BQYQJAHWSA-N 1 0 310.482 3.081 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCO[C@H]1C)c1ccccc1 ZINC000248828976 432321663 /nfs/dbraw/zinc/32/16/63/432321663.db2.gz HLPVIAVEAGRRRU-RYQLBKOJSA-N 1 0 318.461 3.001 10 0 DGAERO C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccncc1 ZINC000174118963 432322676 /nfs/dbraw/zinc/32/26/76/432322676.db2.gz TXJMTRXXLPJHJD-INIZCTEOSA-N 1 0 323.440 3.285 10 0 DGAERO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000248855104 432324205 /nfs/dbraw/zinc/32/42/05/432324205.db2.gz MQHAIHITLYHVBP-UOVPBQLFSA-N 1 0 318.461 3.190 10 0 DGAERO Cc1ccccc1-c1nc(CN(C)CCC2CCOCC2)no1 ZINC000152350478 432325882 /nfs/dbraw/zinc/32/58/82/432325882.db2.gz HUYAHHMTIFSUEX-UHFFFAOYSA-N 1 0 315.417 3.294 10 0 DGAERO CC(C)[NH+](CCCNC(=O)NCCc1ccsc1)C(C)C ZINC000174163385 432326355 /nfs/dbraw/zinc/32/63/55/432326355.db2.gz PRCWTDDBXPOFBA-UHFFFAOYSA-N 1 0 311.495 3.099 10 0 DGAERO O=C1O[C@H](C[N@H+]2CC=C(c3cccs3)CC2)CC12CCC2 ZINC000192031039 432326401 /nfs/dbraw/zinc/32/64/01/432326401.db2.gz XNVJNCLEZYBJIY-AWEZNQCLSA-N 1 0 303.427 3.323 10 0 DGAERO COc1ccc([C@@H](CNCc2cocn2)[NH+]2CCCCC2)cc1 ZINC000192280153 432355188 /nfs/dbraw/zinc/35/51/88/432355188.db2.gz CNLYZCGEGLSRPX-GOSISDBHSA-N 1 0 315.417 3.000 10 0 DGAERO CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@H]2c3ccccc3NC2=O)C1(C)C ZINC000248887934 432326765 /nfs/dbraw/zinc/32/67/65/432326765.db2.gz SIOOYPCPGFTDJH-USXIJHARSA-N 1 0 316.445 3.294 10 0 DGAERO CC1([C@@H]2CCC[N@H+](C[C@H]3CCC4(CCCCC4)O3)C2)OCCO1 ZINC000248888334 432326864 /nfs/dbraw/zinc/32/68/64/432326864.db2.gz YDBFIKNNEOFKFB-IAGOWNOFSA-N 1 0 323.477 3.343 10 0 DGAERO Cc1ccccc1CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174180673 432327842 /nfs/dbraw/zinc/32/78/42/432327842.db2.gz XUJBFMUQKMQGTF-AYHJJNSGSA-N 1 0 300.446 3.059 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cnn(C(C)C)c2)C12CCOCC2 ZINC000248925854 432328973 /nfs/dbraw/zinc/32/89/73/432328973.db2.gz FXRSZPPIGVFBFV-DJIMGWMZSA-N 1 0 321.465 3.089 10 0 DGAERO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](Cc2cncc(C)c2)C1 ZINC000248908420 432329025 /nfs/dbraw/zinc/32/90/25/432329025.db2.gz ILVOZMYSGKOMLZ-RBUKOAKNSA-N 1 0 324.424 3.169 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1F ZINC000174198539 432329531 /nfs/dbraw/zinc/32/95/31/432329531.db2.gz RLSODIMCJLKPFD-TZMCWYRMSA-N 1 0 320.387 3.018 10 0 DGAERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)C3CCCCC3)C2)n1 ZINC000248970844 432331478 /nfs/dbraw/zinc/33/14/78/432331478.db2.gz SCNJVDASAGVIGV-SJLPKXTDSA-N 1 0 317.477 3.065 10 0 DGAERO O[C@H](C[N@@H+](Cc1ccco1)C[C@H]1CCCO1)C1CCCCC1 ZINC000248962422 432331580 /nfs/dbraw/zinc/33/15/80/432331580.db2.gz PYRKUEPLMGROJM-QZTJIDSGSA-N 1 0 307.434 3.202 10 0 DGAERO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@@H](O)C1CCCCC1 ZINC000249043836 432334724 /nfs/dbraw/zinc/33/47/24/432334724.db2.gz HBOQUIIEMNHKJS-KEQGGVEFSA-N 1 0 323.502 3.358 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000183929718 432334737 /nfs/dbraw/zinc/33/47/37/432334737.db2.gz NLQBTPOEMOMBIU-OAHLLOKOSA-N 1 0 310.388 3.457 10 0 DGAERO CCO[C@H](CC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2)C(C)C ZINC000249039240 432335141 /nfs/dbraw/zinc/33/51/41/432335141.db2.gz USWZDLMWSYVNJC-BRWVUGGUSA-N 1 0 313.482 3.001 10 0 DGAERO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000152488699 432335290 /nfs/dbraw/zinc/33/52/90/432335290.db2.gz LZWYYKATWYDWNB-CQSZACIVSA-N 1 0 300.381 3.132 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1nc(-c2ccccc2)cs1 ZINC000152483611 432336486 /nfs/dbraw/zinc/33/64/86/432336486.db2.gz UNIKZQDOLQWMJC-JSGCOSHPSA-N 1 0 315.442 3.082 10 0 DGAERO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H]1CO ZINC000249093568 432337556 /nfs/dbraw/zinc/33/75/56/432337556.db2.gz NZFIPUPRXXDRKI-ACJLOTCBSA-N 1 0 300.377 3.090 10 0 DGAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249133432 432340496 /nfs/dbraw/zinc/34/04/96/432340496.db2.gz WGQDLXWZGMQDRB-QCEMKRCNSA-N 1 0 305.422 3.132 10 0 DGAERO CC[C@@H]1CN(c2ccccc2)CCN1Cc1nnc(C(C)C)o1 ZINC000184017566 432345179 /nfs/dbraw/zinc/34/51/79/432345179.db2.gz DUYDNESLIJWXCX-OAHLLOKOSA-N 1 0 314.433 3.294 10 0 DGAERO O=C(C[C@H]1CCC[N@@H+]1CC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000249365044 432346301 /nfs/dbraw/zinc/34/63/01/432346301.db2.gz OGICCBNTUCMXNU-IAGOWNOFSA-N 1 0 305.393 3.432 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(OC)CC2)[C@H]1Oc1ccccc1 ZINC000249400106 432346641 /nfs/dbraw/zinc/34/66/41/432346641.db2.gz BUGIUNMWAPGSAE-HUPIBKNQSA-N 1 0 319.445 3.159 10 0 DGAERO CCc1nc2c(s1)[C@H](N(C)CC(=O)NC(C)(C)CC)CCC2 ZINC000152661971 432347546 /nfs/dbraw/zinc/34/75/46/432347546.db2.gz GOMBPNPWBLROGL-CYBMUJFWSA-N 1 0 323.506 3.320 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1ccnn1C ZINC000192248409 432349741 /nfs/dbraw/zinc/34/97/41/432349741.db2.gz INXROQDVKKTMDI-RYUDHWBXSA-N 1 0 322.250 3.464 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000249497762 432350029 /nfs/dbraw/zinc/35/00/29/432350029.db2.gz WKAKSYPIMLSOEV-KBPBESRZSA-N 1 0 317.351 3.015 10 0 DGAERO OC[C@H]1C[N@H+](Cc2ccncc2Cl)C[C@@H]1c1ccsc1 ZINC000249539812 432350762 /nfs/dbraw/zinc/35/07/62/432350762.db2.gz DPGWSDDWSCBJDU-ZIAGYGMSSA-N 1 0 308.834 3.004 10 0 DGAERO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc2ccccc2nc1Cl ZINC000249627050 432352879 /nfs/dbraw/zinc/35/28/79/432352879.db2.gz UGEUJUOFUOFADD-SAYFZHNOSA-N 1 0 314.816 3.089 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCc2cocn2)C1 ZINC000192287490 432354306 /nfs/dbraw/zinc/35/43/06/432354306.db2.gz OKYNBGRGBMBCMF-IYBDPMFKSA-N 1 0 313.445 3.442 10 0 DGAERO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@@](C)(O)c2ccccc2)o1 ZINC000248606591 432304759 /nfs/dbraw/zinc/30/47/59/432304759.db2.gz GATYCGPFASEZIO-PKOBYXMFSA-N 1 0 315.413 3.471 10 0 DGAERO O[C@@H](CN1CCOC2(CCCCC2)C1)c1cc(F)ccc1F ZINC000173853616 432305062 /nfs/dbraw/zinc/30/50/62/432305062.db2.gz JJURSDDAFOESTO-INIZCTEOSA-N 1 0 311.372 3.033 10 0 DGAERO COc1ccc(-c2cnc(C[N@H+](C)CC3(O)CCCC3)o2)cc1 ZINC000152126811 432306725 /nfs/dbraw/zinc/30/67/25/432306725.db2.gz AKFIRLSSRMKKON-UHFFFAOYSA-N 1 0 316.401 3.087 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC000183585895 432307154 /nfs/dbraw/zinc/30/71/54/432307154.db2.gz GSGWCPWRARRHDQ-ONGXEEELSA-N 1 0 319.396 3.139 10 0 DGAERO COCCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000183601554 432307725 /nfs/dbraw/zinc/30/77/25/432307725.db2.gz MJVBDTSUOIWKBV-HOTGVXAUSA-N 1 0 324.509 3.066 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@]3(CCOC3)C2)s1 ZINC000183605140 432308156 /nfs/dbraw/zinc/30/81/56/432308156.db2.gz NHYURENOWZOWHA-LBPRGKRZSA-N 1 0 306.353 3.083 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H](CC2CCC2)c2ccccc2)C1 ZINC000183621605 432310289 /nfs/dbraw/zinc/31/02/89/432310289.db2.gz KTGKFNJRWATAFN-ZWKOTPCHSA-N 1 0 315.461 3.263 10 0 DGAERO c1coc(-c2ncc(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)s2)c1 ZINC000248654654 432311323 /nfs/dbraw/zinc/31/13/23/432311323.db2.gz ARXKBPGMLJCKJI-MJBXVCDLSA-N 1 0 304.415 3.450 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[C@H]2CCO[C@H]21 ZINC000248690520 432311852 /nfs/dbraw/zinc/31/18/52/432311852.db2.gz ASWLQRGCGZYFBU-DJIMGWMZSA-N 1 0 317.429 3.235 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccncc1 ZINC000173992800 432312098 /nfs/dbraw/zinc/31/20/98/432312098.db2.gz OGDORVWCZPUXIF-INIZCTEOSA-N 1 0 319.408 3.142 10 0 DGAERO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248732091 432314111 /nfs/dbraw/zinc/31/41/11/432314111.db2.gz MADZGBWKCMFJHJ-VFPIZLKKSA-N 1 0 321.486 3.497 10 0 DGAERO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000251872738 432371866 /nfs/dbraw/zinc/37/18/66/432371866.db2.gz QRBLLEAPCOAFNC-WCVJEAGWSA-N 1 0 301.496 3.148 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)CC[C@H]1C ZINC000251946193 432373610 /nfs/dbraw/zinc/37/36/10/432373610.db2.gz UZLUKEMFQRRDKI-XJKCOSOUSA-N 1 0 322.474 3.092 10 0 DGAERO CCc1nccn1[C@@H]1CCCN(C(=O)NCC2(C)CCCC2)C1 ZINC000153008374 432375193 /nfs/dbraw/zinc/37/51/93/432375193.db2.gz JKWWVKZZOXKPJI-OAHLLOKOSA-N 1 0 318.465 3.372 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000174894338 432376102 /nfs/dbraw/zinc/37/61/02/432376102.db2.gz DUCCHHZMKFAXRD-SOLBZPMBSA-N 1 0 317.477 3.304 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)CCCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000153029729 432377422 /nfs/dbraw/zinc/37/74/22/432377422.db2.gz KNEVSWIGNISNLV-ZFWWWQNUSA-N 1 0 324.415 3.229 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)CCCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000153029373 432377549 /nfs/dbraw/zinc/37/75/49/432377549.db2.gz KNEVSWIGNISNLV-UKRRQHHQSA-N 1 0 324.415 3.229 10 0 DGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000174914463 432378354 /nfs/dbraw/zinc/37/83/54/432378354.db2.gz RMMPFZLOFGWURX-GFCCVEGCSA-N 1 0 315.339 3.182 10 0 DGAERO Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)nc(-c2ccncc2)n1 ZINC000174921143 432380828 /nfs/dbraw/zinc/38/08/28/432380828.db2.gz GXSJHEJAJMYJJL-HOTGVXAUSA-N 1 0 311.433 3.132 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3ncsc3c2)CC[N@@H+]1C ZINC000174959849 432383802 /nfs/dbraw/zinc/38/38/02/432383802.db2.gz DIJZVNUUVQQFDI-YPMHNXCESA-N 1 0 318.446 3.243 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)nc2ccccc21 ZINC000174975178 432385256 /nfs/dbraw/zinc/38/52/56/432385256.db2.gz SCSMLNXLBKAQQM-JKSUJKDBSA-N 1 0 323.440 3.242 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)n(C2CC2)c1C ZINC000174998158 432386777 /nfs/dbraw/zinc/38/67/77/432386777.db2.gz KGMNXJBVYRHPDA-NVXWUHKLSA-N 1 0 315.461 3.139 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)n(C2CC2)c1C ZINC000174998180 432386931 /nfs/dbraw/zinc/38/69/31/432386931.db2.gz KGMNXJBVYRHPDA-DOTOQJQBSA-N 1 0 315.461 3.139 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000174993343 432387364 /nfs/dbraw/zinc/38/73/64/432387364.db2.gz YOFZOPHOOLZNCQ-PKOBYXMFSA-N 1 0 323.440 3.176 10 0 DGAERO Cc1c(-c2cc(CN(C)Cc3ccc(F)cc3)on2)cnn1C ZINC000184399880 432387779 /nfs/dbraw/zinc/38/77/79/432387779.db2.gz CFBBKSTVVSCOQN-UHFFFAOYSA-N 1 0 314.364 3.155 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000175004910 432388203 /nfs/dbraw/zinc/38/82/03/432388203.db2.gz YUDIOEMJGDIPAO-PVAVHDDUSA-N 1 0 317.477 3.489 10 0 DGAERO Cc1cccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1C ZINC000175003669 432388317 /nfs/dbraw/zinc/38/83/17/432388317.db2.gz DKZYGTOHQAHMPE-IAGOWNOFSA-N 1 0 313.445 3.020 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C2CCSCC2)C12CCOCC2 ZINC000253232239 432390055 /nfs/dbraw/zinc/39/00/55/432390055.db2.gz BCWMTFAUHSNRNU-FVQBIDKESA-N 1 0 313.507 3.082 10 0 DGAERO CCc1sc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)cc1C ZINC000175032917 432391781 /nfs/dbraw/zinc/39/17/81/432391781.db2.gz VQIYGNXCVNBKAJ-KBPBESRZSA-N 1 0 306.475 3.318 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)c1ccccc1F ZINC000175034254 432391886 /nfs/dbraw/zinc/39/18/86/432391886.db2.gz DPWYWCQVBKCRQN-RRFJBIMHSA-N 1 0 304.409 3.014 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(SC)c(OC)c1 ZINC000175041054 432392130 /nfs/dbraw/zinc/39/21/30/432392130.db2.gz AKKUEPNDACJDSZ-JKSUJKDBSA-N 1 0 320.502 3.476 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(SC)cc1 ZINC000175048072 432393405 /nfs/dbraw/zinc/39/34/05/432393405.db2.gz PFRFNEAOVONAJZ-HUUCEWRRSA-N 1 0 304.459 3.107 10 0 DGAERO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1 ZINC000153269210 432395995 /nfs/dbraw/zinc/39/59/95/432395995.db2.gz AQBPRLZDRVUTTH-SJORKVTESA-N 1 0 320.477 3.093 10 0 DGAERO CO[C@@H](C)c1nc(CN2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000175096899 432397058 /nfs/dbraw/zinc/39/70/58/432397058.db2.gz FXJRMXWKHKCPRC-AWEZNQCLSA-N 1 0 323.506 3.158 10 0 DGAERO CO[C@H](C)c1noc(CN2CCC[C@@H]2Cc2cccc(F)c2)n1 ZINC000175102989 432397609 /nfs/dbraw/zinc/39/76/09/432397609.db2.gz DXFXKJSCAPELNI-IUODEOHRSA-N 1 0 319.380 3.123 10 0 DGAERO CN(C)c1noc(CN2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192692441 432402169 /nfs/dbraw/zinc/40/21/69/432402169.db2.gz MUHDQMLXQLWGPG-CYBMUJFWSA-N 1 0 306.797 3.126 10 0 DGAERO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000192703843 432402338 /nfs/dbraw/zinc/40/23/38/432402338.db2.gz RFKHOAJJDCZDNY-HZPDHXFCSA-N 1 0 314.433 3.294 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000192712194 432402843 /nfs/dbraw/zinc/40/28/43/432402843.db2.gz OEFXUNBGXKJWKL-ROUUACIJSA-N 1 0 312.413 3.265 10 0 DGAERO Cn1c2ccc(C[NH2+]CCC[C@@H]3CCCCO3)cc2sc1=O ZINC000192728786 432406180 /nfs/dbraw/zinc/40/61/80/432406180.db2.gz FYHDHXKNGZSQLT-AWEZNQCLSA-N 1 0 320.458 3.039 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(Cl)s2)C1 ZINC000249774094 432357460 /nfs/dbraw/zinc/35/74/60/432357460.db2.gz VHLJYXSZMYKXMA-MNOVXSKESA-N 1 0 315.870 3.246 10 0 DGAERO CCc1csc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)CC)C2)n1 ZINC000249885193 432359924 /nfs/dbraw/zinc/35/99/24/432359924.db2.gz OVSYLVNJKCXGPA-HZSPNIEDSA-N 1 0 323.506 3.188 10 0 DGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cc(C)no1)CC3 ZINC000184155717 432362876 /nfs/dbraw/zinc/36/28/76/432362876.db2.gz DFXVCTMBLLZKSC-LBPRGKRZSA-N 1 0 311.385 3.120 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000250128584 432365444 /nfs/dbraw/zinc/36/54/44/432365444.db2.gz WPMNIGXSRZAZRL-LIRZEXBASA-N 1 0 314.429 3.032 10 0 DGAERO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccccc1 ZINC000152929678 432367986 /nfs/dbraw/zinc/36/79/86/432367986.db2.gz XQVRQQDXNSEXOO-KRWDZBQOSA-N 1 0 302.418 3.049 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000184756605 432431069 /nfs/dbraw/zinc/43/10/69/432431069.db2.gz DGNTUBHVZPBLFT-IEBWSBKVSA-N 1 0 316.489 3.349 10 0 DGAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000192930570 432431225 /nfs/dbraw/zinc/43/12/25/432431225.db2.gz XRPRFDLZVSIOKS-UGSOOPFHSA-N 1 0 315.438 3.428 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000261596020 432433168 /nfs/dbraw/zinc/43/31/68/432433168.db2.gz ADBGIIHGLIKZIJ-XKQJLSEDSA-N 1 0 302.418 3.333 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000261626164 432435227 /nfs/dbraw/zinc/43/52/27/432435227.db2.gz COWWCXQASFLYRT-KBRIMQKVSA-N 1 0 315.392 3.040 10 0 DGAERO [NH3+]C1(c2noc(-c3ccccc3N3CCCCC3)n2)CCCC1 ZINC000261622352 432435607 /nfs/dbraw/zinc/43/56/07/432435607.db2.gz BXJGMWHRSYWXBY-UHFFFAOYSA-N 1 0 312.417 3.455 10 0 DGAERO O=C(NCCC[NH2+][C@H]1CCCc2occc21)c1cccs1 ZINC000192993903 432437885 /nfs/dbraw/zinc/43/78/85/432437885.db2.gz XNWXNTCWUIZNEJ-ZDUSSCGKSA-N 1 0 304.415 3.128 10 0 DGAERO c1sc2ccccc2c1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261663847 432438565 /nfs/dbraw/zinc/43/85/65/432438565.db2.gz HDAJSXFOEBJIHR-KRWDZBQOSA-N 1 0 309.438 3.443 10 0 DGAERO Cc1sc2nc(C)nc(NCC3(C)CC[NH2+]CC3)c2c1C ZINC000261670227 432438738 /nfs/dbraw/zinc/43/87/38/432438738.db2.gz LJCOAIHDCFIISJ-UHFFFAOYSA-N 1 0 304.463 3.418 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000184857310 432439594 /nfs/dbraw/zinc/43/95/94/432439594.db2.gz YNGOLMKDMUSKRX-HNNXBMFYSA-N 1 0 318.486 3.112 10 0 DGAERO Cc1ccc(OCCc2nc(-c3ccc(C[NH3+])cc3)no2)cc1C ZINC000261686189 432440214 /nfs/dbraw/zinc/44/02/14/432440214.db2.gz ARDIFEBSCRHUDT-UHFFFAOYSA-N 1 0 323.396 3.434 10 0 DGAERO Fc1cccc(OCc2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)c1 ZINC000261677283 432441291 /nfs/dbraw/zinc/44/12/91/432441291.db2.gz AAIHCNZWWPWXGB-DFBGVHRSSA-N 1 0 317.364 3.381 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccnn2C)n(-c2ccccc2)n1 ZINC000193036393 432442231 /nfs/dbraw/zinc/44/22/31/432442231.db2.gz SYBUEMKVMZVALH-ZBFHGGJFSA-N 1 0 323.444 3.196 10 0 DGAERO CC(C)C[C@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000184894188 432442304 /nfs/dbraw/zinc/44/23/04/432442304.db2.gz GZFXVWKYOGJDLP-HOTGVXAUSA-N 1 0 317.477 3.405 10 0 DGAERO CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000153830251 432446326 /nfs/dbraw/zinc/44/63/26/432446326.db2.gz LTVVEADOHDBCSV-KRWDZBQOSA-N 1 0 316.445 3.109 10 0 DGAERO Cc1ccc(C)c([C@@H]2CN(C[C@@H]3CCC[NH2+]C3)[C@@H](C)CO2)c1 ZINC000261753604 432447214 /nfs/dbraw/zinc/44/72/14/432447214.db2.gz CJBJBSZWVLJMOZ-SCTDSRPQSA-N 1 0 302.462 3.065 10 0 DGAERO C[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccccc1-n1cccn1 ZINC000193088891 432447607 /nfs/dbraw/zinc/44/76/07/432447607.db2.gz GQJRQAKPEADALC-MAUKXSAKSA-N 1 0 315.417 3.066 10 0 DGAERO [NH3+]C1(c2noc([C@@H]3Cc4cc(Cl)ccc4O3)n2)CCCC1 ZINC000261776917 432447620 /nfs/dbraw/zinc/44/76/20/432447620.db2.gz NNMGOCNMQXZVOS-LBPRGKRZSA-N 1 0 305.765 3.127 10 0 DGAERO Cc1cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc2cccnc12 ZINC000261773403 432448144 /nfs/dbraw/zinc/44/81/44/432448144.db2.gz SISCPFSPMQJFLO-LJQANCHMSA-N 1 0 318.424 3.085 10 0 DGAERO CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1C ZINC000184976082 432450370 /nfs/dbraw/zinc/45/03/70/432450370.db2.gz CRVNQHXUAMYGTG-UHFFFAOYSA-N 1 0 310.401 3.406 10 0 DGAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000153886439 432451961 /nfs/dbraw/zinc/45/19/61/432451961.db2.gz FBHXWDNPYKNNDF-CYBMUJFWSA-N 1 0 324.415 3.338 10 0 DGAERO C[NH2+]C1CCN(Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000261806039 432452402 /nfs/dbraw/zinc/45/24/02/432452402.db2.gz ZFMOOYBJIDFFAW-UHFFFAOYSA-N 1 0 301.459 3.302 10 0 DGAERO Cc1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261815138 432452761 /nfs/dbraw/zinc/45/27/61/432452761.db2.gz XEPHQIFSVBODLJ-QGZVFWFLSA-N 1 0 301.821 3.190 10 0 DGAERO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185014057 432455311 /nfs/dbraw/zinc/45/53/11/432455311.db2.gz RXMQHGWVUHBEMK-UKRRQHHQSA-N 1 0 320.462 3.181 10 0 DGAERO O=C(CC[C@H]1CC[NH2+]C1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000261874053 432456524 /nfs/dbraw/zinc/45/65/24/432456524.db2.gz QYJBBJFBUGGZFD-YVEFUNNKSA-N 1 0 306.837 3.297 10 0 DGAERO CC(C)(C)[NH+]1CCC(Nc2cccc3c2OCC[C@H]3O)CC1 ZINC000184574697 432408662 /nfs/dbraw/zinc/40/86/62/432408662.db2.gz ZCPSHLQNQOBLNV-MRXNPFEDSA-N 1 0 304.434 3.177 10 0 DGAERO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccnn1C ZINC000192755368 432411077 /nfs/dbraw/zinc/41/10/77/432411077.db2.gz MUHOIHICTKZQBY-LLVKDONJSA-N 1 0 313.323 3.169 10 0 DGAERO Cc1ccccc1[C@@H](CC(C)C)NCc1nc(N(C)C)no1 ZINC000192782654 432412824 /nfs/dbraw/zinc/41/28/24/432412824.db2.gz UEUXBVOKDMCAOK-OAHLLOKOSA-N 1 0 302.422 3.321 10 0 DGAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2C[C@@H]2c2ccco2)C1 ZINC000255735822 432413027 /nfs/dbraw/zinc/41/30/27/432413027.db2.gz KRNTWBXTOIKSND-PMPSAXMXSA-N 1 0 304.434 3.011 10 0 DGAERO C[NH+]1CCC(CCNC(=O)C/C=C\c2ccc(F)cc2)CC1 ZINC000255864980 432414226 /nfs/dbraw/zinc/41/42/26/432414226.db2.gz MGDBXMAWGWGUGY-IHWYPQMZSA-N 1 0 304.409 3.077 10 0 DGAERO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)C1CCCC1 ZINC000184632953 432414704 /nfs/dbraw/zinc/41/47/04/432414704.db2.gz CAUUSHQWBLTCBS-LIRRHRJNSA-N 1 0 300.446 3.422 10 0 DGAERO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCCC1 ZINC000184648340 432415716 /nfs/dbraw/zinc/41/57/16/432415716.db2.gz RTYMRQDQQXLBKZ-NSHDSACASA-N 1 0 305.809 3.016 10 0 DGAERO COc1cccc([C@H](CNC(=O)[C@H](C)CC(C)C)[NH+](C)C)c1 ZINC000184655495 432417321 /nfs/dbraw/zinc/41/73/21/432417321.db2.gz KDFCLLHXQQVYOZ-PBHICJAKSA-N 1 0 306.450 3.096 10 0 DGAERO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184661388 432417628 /nfs/dbraw/zinc/41/76/28/432417628.db2.gz KLVBWMOXNBEZGS-KBPBESRZSA-N 1 0 304.434 3.041 10 0 DGAERO COc1cccc([C@@H](CNC(=O)[C@@H](C)CC(C)C)[NH+](C)C)c1 ZINC000184655551 432417831 /nfs/dbraw/zinc/41/78/31/432417831.db2.gz KDFCLLHXQQVYOZ-WMLDXEAASA-N 1 0 306.450 3.096 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1Cl ZINC000192812647 432418160 /nfs/dbraw/zinc/41/81/60/432418160.db2.gz WNBRWVQFXFCQJD-ZIAGYGMSSA-N 1 0 316.836 3.450 10 0 DGAERO c1cnc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4ccccc43)C2)nc1 ZINC000192813088 432418376 /nfs/dbraw/zinc/41/83/76/432418376.db2.gz HJWRGRFPPZKNFV-SJLPKXTDSA-N 1 0 308.429 3.113 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1 ZINC000192815163 432419119 /nfs/dbraw/zinc/41/91/19/432419119.db2.gz SDWMRKFKFVACFW-ROUUACIJSA-N 1 0 310.445 3.495 10 0 DGAERO CC[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccc(OC)cc1 ZINC000192841284 432420902 /nfs/dbraw/zinc/42/09/02/432420902.db2.gz PRQFNRWBTYHMSP-GOSISDBHSA-N 1 0 318.461 3.383 10 0 DGAERO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000192867170 432423432 /nfs/dbraw/zinc/42/34/32/432423432.db2.gz QJCJRZFYLKVDII-RYUDHWBXSA-N 1 0 306.435 3.203 10 0 DGAERO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000192867196 432423465 /nfs/dbraw/zinc/42/34/65/432423465.db2.gz QJCJRZFYLKVDII-NEPJUHHUSA-N 1 0 306.435 3.203 10 0 DGAERO O=C(NCCC1=CCCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192867247 432424232 /nfs/dbraw/zinc/42/42/32/432424232.db2.gz RLPHWOOORYANJE-UHFFFAOYSA-N 1 0 319.493 3.394 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1C(C)C ZINC000175345417 432426433 /nfs/dbraw/zinc/42/64/33/432426433.db2.gz NMPCONNXUAMBTJ-MRXNPFEDSA-N 1 0 317.477 3.165 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154125501 432475005 /nfs/dbraw/zinc/47/50/05/432475005.db2.gz HMLOUJBHEHUKTC-DTXSUPOZSA-N 1 0 316.420 3.172 10 0 DGAERO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000185200616 432476538 /nfs/dbraw/zinc/47/65/38/432476538.db2.gz BEVSZNRIEYMXGL-QZTJIDSGSA-N 1 0 314.429 3.211 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3nccs3)C2)c1 ZINC000154148861 432476695 /nfs/dbraw/zinc/47/66/95/432476695.db2.gz OXUOQXUBCUMNFR-KGLIPLIRSA-N 1 0 317.458 3.329 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000185200338 432476821 /nfs/dbraw/zinc/47/68/21/432476821.db2.gz BUOHHZQRUMVYPP-BHYGNILZSA-N 1 0 320.502 3.368 10 0 DGAERO Cc1cccc([C@H]2CCCCCN2C(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262249542 432478625 /nfs/dbraw/zinc/47/86/25/432478625.db2.gz SKNIXMBXXJTAAR-CRAIPNDOSA-N 1 0 300.446 3.294 10 0 DGAERO CCC1(CC)CN([C@@H](C)c2cccc(OC)c2)CC[S@]1=O ZINC000185226726 432478931 /nfs/dbraw/zinc/47/89/31/432478931.db2.gz JYVZPIVYZJBMLW-LHSJRXKWSA-N 1 0 309.475 3.379 10 0 DGAERO C[C@H]1CCC[C@H](CC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000262238340 432479122 /nfs/dbraw/zinc/47/91/22/432479122.db2.gz OUCFUXXZLXHJRA-DKKFBQAASA-N 1 0 314.473 3.404 10 0 DGAERO CC(C)C[C@H](C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000185220619 432479757 /nfs/dbraw/zinc/47/97/57/432479757.db2.gz PTFGFBQZVNAJBS-HNNXBMFYSA-N 1 0 312.523 3.146 10 0 DGAERO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262288143 432480355 /nfs/dbraw/zinc/48/03/55/432480355.db2.gz MPRNPXICCATUFB-XHQCLISVSA-N 1 0 312.457 3.190 10 0 DGAERO COCCO[C@@H]1CCCN(c2c(C)c[nH+]c3c(C)cccc32)C1 ZINC000193565599 432480944 /nfs/dbraw/zinc/48/09/44/432480944.db2.gz JRDGBWYJZNRYQL-MRXNPFEDSA-N 1 0 314.429 3.483 10 0 DGAERO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262319970 432482144 /nfs/dbraw/zinc/48/21/44/432482144.db2.gz CEVUHFFVWLXOKY-UBHSHLNASA-N 1 0 323.506 3.482 10 0 DGAERO CC(C)C[C@@H](C)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000185244608 432483273 /nfs/dbraw/zinc/48/32/73/432483273.db2.gz ORIYQRNNLIFUPS-MRXNPFEDSA-N 1 0 317.477 3.449 10 0 DGAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185266898 432484762 /nfs/dbraw/zinc/48/47/62/432484762.db2.gz YFGYIPRHFXQTBP-RDJZCZTQSA-N 1 0 321.440 3.116 10 0 DGAERO C[C@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)CC[NH2+]1 ZINC000262451986 432486582 /nfs/dbraw/zinc/48/65/82/432486582.db2.gz UTUPFIOXVLQFHU-RYUDHWBXSA-N 1 0 324.384 3.150 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)NC1(CC)CCC1)c1ccco1 ZINC000176010749 432487289 /nfs/dbraw/zinc/48/72/89/432487289.db2.gz MIEOZHHGSIKLHQ-CQSZACIVSA-N 1 0 307.438 3.294 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176031387 432488321 /nfs/dbraw/zinc/48/83/21/432488321.db2.gz IKLQULJREMILOS-HUUCEWRRSA-N 1 0 307.482 3.223 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)c2ccc(C)c(C(C)=O)c2)CC1 ZINC000193963638 432512651 /nfs/dbraw/zinc/51/26/51/432512651.db2.gz QFYUAAPFCSIZJQ-UHFFFAOYSA-N 1 0 316.445 3.049 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000185326624 432490895 /nfs/dbraw/zinc/49/08/95/432490895.db2.gz UDNUDEAEFXHEAX-ZDUSSCGKSA-N 1 0 309.841 3.066 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262573360 432491557 /nfs/dbraw/zinc/49/15/57/432491557.db2.gz XRKAJDQOOWMKRU-HACGYAERSA-N 1 0 322.836 3.119 10 0 DGAERO Cc1sc2nc(C)nc(N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2c1C ZINC000262578515 432492975 /nfs/dbraw/zinc/49/29/75/432492975.db2.gz YOWXGPJFNFDBEX-IHRRRGAJSA-N 1 0 316.474 3.180 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262622516 432493989 /nfs/dbraw/zinc/49/39/89/432493989.db2.gz KBRASHFWMXGNGG-HNKHHVNMSA-N 1 0 306.837 3.077 10 0 DGAERO CSCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176119461 432495028 /nfs/dbraw/zinc/49/50/28/432495028.db2.gz IXEVFRVZJAUTTG-NVXWUHKLSA-N 1 0 320.502 3.299 10 0 DGAERO CC1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000262647533 432496848 /nfs/dbraw/zinc/49/68/48/432496848.db2.gz STKIMUWRWBPVNG-GMRIPVOYSA-N 1 0 322.493 3.090 10 0 DGAERO CCCCc1nc2cc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)ccc2[nH]1 ZINC000262681646 432498534 /nfs/dbraw/zinc/49/85/34/432498534.db2.gz WDIXAFWTODQKQN-OLZOCXBDSA-N 1 0 314.433 3.362 10 0 DGAERO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(C)n1C1CCCCC1 ZINC000262763761 432500552 /nfs/dbraw/zinc/50/05/52/432500552.db2.gz KVPUXJQFXMDJDS-SCLBCKFNSA-N 1 0 317.477 3.338 10 0 DGAERO Cc1[nH]c2ccc(CNC(=O)[C@](C)([NH3+])c3ccccc3)cc2c1C ZINC000262991147 432513096 /nfs/dbraw/zinc/51/30/96/432513096.db2.gz ZWHHZASIXUNWCJ-HXUWFJFHSA-N 1 0 321.424 3.275 10 0 DGAERO C=Cn1cc(C[NH+]2CCC(Cc3ccccc3OC)CC2)cn1 ZINC000193864339 432506004 /nfs/dbraw/zinc/50/60/04/432506004.db2.gz JDDJVJVANCFGSB-UHFFFAOYSA-N 1 0 311.429 3.447 10 0 DGAERO COc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185511124 432507333 /nfs/dbraw/zinc/50/73/33/432507333.db2.gz QJENIFSQJOMPDI-AWEZNQCLSA-N 1 0 305.422 3.081 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC(F)(F)CN1)c1ccc2ccccc2c1 ZINC000262961750 432510019 /nfs/dbraw/zinc/51/00/19/432510019.db2.gz KUTHBWGYIIIKKZ-XHDPSFHLSA-N 1 0 304.340 3.014 10 0 DGAERO C[C@H]([NH2+]CCCOCC(F)(F)F)[C@H]1COc2ccccc21 ZINC000185562821 432510489 /nfs/dbraw/zinc/51/04/89/432510489.db2.gz LZZJEGCRJVCWFS-WCQYABFASA-N 1 0 303.324 3.110 10 0 DGAERO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000261911763 432460030 /nfs/dbraw/zinc/46/00/30/432460030.db2.gz YEQHIRBAZFSHSD-YGOACVGDSA-N 1 0 306.837 3.185 10 0 DGAERO C[NH2+][C@@H](C)Cc1noc(-c2cccc(-c3cscn3)c2)n1 ZINC000261907354 432460287 /nfs/dbraw/zinc/46/02/87/432460287.db2.gz ZFLUKNADFIOWTF-JTQLQIEISA-N 1 0 300.387 3.011 10 0 DGAERO c1ccc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261920695 432461669 /nfs/dbraw/zinc/46/16/69/432461669.db2.gz KGTJTOAGXUWJLU-ZCNNSNEGSA-N 1 0 310.441 3.087 10 0 DGAERO Cc1cc2c(cc1C)O[C@@H](c1nc(-c3ccc(C[NH3+])cc3)no1)C2 ZINC000262006855 432467844 /nfs/dbraw/zinc/46/78/44/432467844.db2.gz LXQWEDPONQGLBG-QGZVFWFLSA-N 1 0 321.380 3.488 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000175818178 432468191 /nfs/dbraw/zinc/46/81/91/432468191.db2.gz ZUEZVVRQTRPCEJ-AWEZNQCLSA-N 1 0 318.808 3.159 10 0 DGAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000193366219 432468621 /nfs/dbraw/zinc/46/86/21/432468621.db2.gz QIQATOOCAVXJFC-GXTWGEPZSA-N 1 0 301.377 3.135 10 0 DGAERO CC1CC[NH+](CCNC2(c3noc(C4CC4)n3)CCCC2)CC1 ZINC000154061981 432469296 /nfs/dbraw/zinc/46/92/96/432469296.db2.gz DXJFYFCYGYIPGF-UHFFFAOYSA-N 1 0 318.465 3.038 10 0 DGAERO CC(C)c1nc([C@@H]2CCCCCN2C[C@H]2CCC[NH2+]C2)no1 ZINC000262035857 432469558 /nfs/dbraw/zinc/46/95/58/432469558.db2.gz XSSSPDYSVAISDP-GJZGRUSLSA-N 1 0 306.454 3.110 10 0 DGAERO Cc1cccc(OCCc2nc(-c3ccc(C[NH3+])cc3)no2)c1C ZINC000262035771 432470492 /nfs/dbraw/zinc/47/04/92/432470492.db2.gz OMXFAEBHYIWKEM-UHFFFAOYSA-N 1 0 323.396 3.434 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cccc(OC2CCCC2)c1 ZINC000155326809 432551064 /nfs/dbraw/zinc/55/10/64/432551064.db2.gz BGELYRDLICXKTC-HUUCEWRRSA-N 1 0 316.445 3.173 10 0 DGAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000155338614 432551122 /nfs/dbraw/zinc/55/11/22/432551122.db2.gz LEBOFBSFZOJILZ-VYDXJSESSA-N 1 0 318.461 3.227 10 0 DGAERO CCCC1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CCC1 ZINC000155341055 432551317 /nfs/dbraw/zinc/55/13/17/432551317.db2.gz ALHSBZJTCUJGIS-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO CCc1noc(C)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000155644237 432565065 /nfs/dbraw/zinc/56/50/65/432565065.db2.gz UUFLVAOYQWOLIA-KGLIPLIRSA-N 1 0 320.437 3.024 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000176816378 432554842 /nfs/dbraw/zinc/55/48/42/432554842.db2.gz DTOZWDPLOQRRJU-ZIAGYGMSSA-N 1 0 321.440 3.217 10 0 DGAERO CCN(Cc1cccs1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000176839563 432558078 /nfs/dbraw/zinc/55/80/78/432558078.db2.gz IMWHYJBXBZPEIO-ZFWWWQNUSA-N 1 0 309.479 3.008 10 0 DGAERO COc1cccc(F)c1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000186106417 432559149 /nfs/dbraw/zinc/55/91/49/432559149.db2.gz XNANFFHXNZQMIT-UHFFFAOYSA-N 1 0 323.412 3.076 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000176870025 432560964 /nfs/dbraw/zinc/56/09/64/432560964.db2.gz YJWBVEFLQGDPCL-ZTODGRRHSA-N 1 0 304.409 3.170 10 0 DGAERO Cc1cccc(OCCCCC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1 ZINC000155569928 432562416 /nfs/dbraw/zinc/56/24/16/432562416.db2.gz PPFYOXXSDUWTET-IRXDYDNUSA-N 1 0 318.461 3.095 10 0 DGAERO CCOC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000176340690 432513698 /nfs/dbraw/zinc/51/36/98/432513698.db2.gz FLSBQCQJMSWYEQ-HNNXBMFYSA-N 1 0 304.434 3.107 10 0 DGAERO Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(F)cc1F ZINC000176378990 432517215 /nfs/dbraw/zinc/51/72/15/432517215.db2.gz HYCOKKCVDUXDHB-UHFFFAOYSA-N 1 0 322.399 3.221 10 0 DGAERO COc1c(C)cc(CN(C)C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1C ZINC000263098521 432519584 /nfs/dbraw/zinc/51/95/84/432519584.db2.gz ZEPSIGMSOMGRSQ-QFBILLFUSA-N 1 0 318.461 3.178 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(C)(C)c1ccccc1 ZINC000154783676 432521007 /nfs/dbraw/zinc/52/10/07/432521007.db2.gz YCLRBADJKGHVKO-FUHWJXTLSA-N 1 0 314.473 3.440 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)COC2CCOCC2)cc1 ZINC000176420273 432521445 /nfs/dbraw/zinc/52/14/45/432521445.db2.gz NNFGLYIUCPXRBY-CRAIPNDOSA-N 1 0 321.461 3.017 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C/C=C/c2ccc(F)cc2)CC[N@@H+]1C ZINC000176430583 432521620 /nfs/dbraw/zinc/52/16/20/432521620.db2.gz CQMKHAOTTXZTLS-ROHVMALMSA-N 1 0 304.409 3.170 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000263209071 432526910 /nfs/dbraw/zinc/52/69/10/432526910.db2.gz KBGIBBRSORLUPG-KBPBESRZSA-N 1 0 320.399 3.251 10 0 DGAERO CCc1nc(Cl)c(C)c(N2CCC([N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000154906263 432527464 /nfs/dbraw/zinc/52/74/64/432527464.db2.gz RNTLHSBLTQRVNQ-GFCCVEGCSA-N 1 0 322.884 3.454 10 0 DGAERO Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Cl)cc1F ZINC000154918090 432528050 /nfs/dbraw/zinc/52/80/50/432528050.db2.gz SOHQYYFCFATPSK-LRDDRELGSA-N 1 0 324.827 3.344 10 0 DGAERO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc(Br)cn2)CC1 ZINC000154909745 432528940 /nfs/dbraw/zinc/52/89/40/432528940.db2.gz OCYBEWREQUQTCK-LBPRGKRZSA-N 1 0 324.266 3.297 10 0 DGAERO Cc1ccc(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)s1 ZINC000176504333 432529603 /nfs/dbraw/zinc/52/96/03/432529603.db2.gz CVMRBGHARKUZPK-UHFFFAOYSA-N 1 0 321.421 3.449 10 0 DGAERO C[C@H]1CCC[N@@H+]1C1CCN(c2cncc(Br)c2)CC1 ZINC000154944060 432530590 /nfs/dbraw/zinc/53/05/90/432530590.db2.gz WPIJEBZEMALNNO-LBPRGKRZSA-N 1 0 324.266 3.297 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000185781455 432531932 /nfs/dbraw/zinc/53/19/32/432531932.db2.gz RNGMLSAIGUFGES-KGLIPLIRSA-N 1 0 300.402 3.344 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000176538871 432532835 /nfs/dbraw/zinc/53/28/35/432532835.db2.gz NEEJVIOJPYYFMY-YXMMZVCTSA-N 1 0 304.409 3.172 10 0 DGAERO C[C@H](CNC(=O)Nc1ccc2cc[nH]c2c1)C[NH+]1CCCCC1 ZINC000194248582 432534979 /nfs/dbraw/zinc/53/49/79/432534979.db2.gz YPYITOSFTDDFIG-CQSZACIVSA-N 1 0 314.433 3.411 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000155176977 432542035 /nfs/dbraw/zinc/54/20/35/432542035.db2.gz UFBVBVJUPDHVLS-NXEZZACHSA-N 1 0 301.217 3.158 10 0 DGAERO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000176667904 432542266 /nfs/dbraw/zinc/54/22/66/432542266.db2.gz YOSKOBYJNHJWBW-HOTGVXAUSA-N 1 0 308.853 3.290 10 0 DGAERO CC[C@H](C)N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000194358745 432544619 /nfs/dbraw/zinc/54/46/19/432544619.db2.gz WJPMYGOKUOIDSD-HNNXBMFYSA-N 1 0 303.450 3.222 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000155224378 432545403 /nfs/dbraw/zinc/54/54/03/432545403.db2.gz VGFVCTFJRLSFGG-JQRITLKVSA-N 1 0 320.481 3.044 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3cn4cccnc4n3)C2)cc1 ZINC000155275743 432547877 /nfs/dbraw/zinc/54/78/77/432547877.db2.gz QEMJSHMACGANJI-GDBMZVCRSA-N 1 0 322.412 3.116 10 0 DGAERO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000177274887 432605827 /nfs/dbraw/zinc/60/58/27/432605827.db2.gz DMVVXFNZZKZIOF-HIFRSBDPSA-N 1 0 314.433 3.076 10 0 DGAERO Cc1cc(NC(=O)CC[N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)no1 ZINC000156839479 432608847 /nfs/dbraw/zinc/60/88/47/432608847.db2.gz ZTAGETWQOZDIGS-AWEZNQCLSA-N 1 0 315.417 3.183 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)NCc2cccs2)cc1 ZINC000156858789 432609359 /nfs/dbraw/zinc/60/93/59/432609359.db2.gz DAVLMQIIDRIJQA-OAHLLOKOSA-N 1 0 316.470 3.236 10 0 DGAERO CCC[C@H]1CCCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000186571445 432609393 /nfs/dbraw/zinc/60/93/93/432609393.db2.gz QVJYYRWIEIYCRG-JCYILVPMSA-N 1 0 309.498 3.471 10 0 DGAERO C[C@H]1C[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC000195167672 432610786 /nfs/dbraw/zinc/61/07/86/432610786.db2.gz NGGHBFWHZXDVHV-BBRMVZONSA-N 1 0 314.495 3.071 10 0 DGAERO CCCCOC[C@@H](O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000195186165 432611090 /nfs/dbraw/zinc/61/10/90/432611090.db2.gz VICJIOLVWHQJHE-PKOBYXMFSA-N 1 0 303.446 3.316 10 0 DGAERO CCc1noc(C)c1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000155665461 432565558 /nfs/dbraw/zinc/56/55/58/432565558.db2.gz FXLDKRHWOQSYCR-GFCCVEGCSA-N 1 0 322.434 3.031 10 0 DGAERO CCc1noc(C)c1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000155670678 432568224 /nfs/dbraw/zinc/56/82/24/432568224.db2.gz ZIUHHRHIPVMXOQ-UHFFFAOYSA-N 1 0 310.442 3.176 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C12CCOCC2 ZINC000186195756 432568423 /nfs/dbraw/zinc/56/84/23/432568423.db2.gz OAKIHXLVKVJRBF-HOTGVXAUSA-N 1 0 309.837 3.404 10 0 DGAERO Cc1oc2ccccc2c1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000186231933 432570876 /nfs/dbraw/zinc/57/08/76/432570876.db2.gz JTDNVOWMNZTZSF-UHFFFAOYSA-N 1 0 309.369 3.132 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC(C)(C)c1ccccc1 ZINC000176991072 432572161 /nfs/dbraw/zinc/57/21/61/432572161.db2.gz ITVDIUPQFPCJHE-KRWDZBQOSA-N 1 0 302.462 3.297 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C/C=C/c1cccc(F)c1 ZINC000176990061 432572763 /nfs/dbraw/zinc/57/27/63/432572763.db2.gz QPKSZLBFLZCTIC-DSCOKBBTSA-N 1 0 316.420 3.314 10 0 DGAERO CSCc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1F ZINC000155762862 432573398 /nfs/dbraw/zinc/57/33/98/432573398.db2.gz CDBDVXHFXVWJRV-WBMJQRKESA-N 1 0 324.465 3.147 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1oc2ccccc2c1C ZINC000177021347 432576038 /nfs/dbraw/zinc/57/60/38/432576038.db2.gz IXFUNAMPPDVMTM-AWEZNQCLSA-N 1 0 300.402 3.298 10 0 DGAERO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000155846463 432576991 /nfs/dbraw/zinc/57/69/91/432576991.db2.gz WXYCZLINKYBNNU-ZDUSSCGKSA-N 1 0 300.377 3.345 10 0 DGAERO CC(C)C(CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC000194845714 432581235 /nfs/dbraw/zinc/58/12/35/432581235.db2.gz VJJGRVWDGRSKNC-MQVJKMGUSA-N 1 0 309.498 3.229 10 0 DGAERO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000177080874 432583471 /nfs/dbraw/zinc/58/34/71/432583471.db2.gz JOQFZQBTCJBGGU-HNNXBMFYSA-N 1 0 317.364 3.167 10 0 DGAERO CSc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000177108677 432586569 /nfs/dbraw/zinc/58/65/69/432586569.db2.gz CWXDNJMIQDUAGH-GXTWGEPZSA-N 1 0 305.447 3.109 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2cccs2)CC1 ZINC000194937364 432587549 /nfs/dbraw/zinc/58/75/49/432587549.db2.gz HBUOGZQPERZAQP-CYBMUJFWSA-N 1 0 309.479 3.230 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2C)C12CCOCC2 ZINC000186403491 432590666 /nfs/dbraw/zinc/59/06/66/432590666.db2.gz ZHLJCMQFVHTHNO-FZDIXFNVSA-N 1 0 315.457 3.484 10 0 DGAERO CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000186406776 432592800 /nfs/dbraw/zinc/59/28/00/432592800.db2.gz LNQGFFCUQRJCDZ-MAUKXSAKSA-N 1 0 306.425 3.186 10 0 DGAERO Cc1ccc(CCCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000195054149 432598537 /nfs/dbraw/zinc/59/85/37/432598537.db2.gz RXBYCXLEDJJUHU-SFHVURJKSA-N 1 0 300.446 3.014 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1ccccc1-n1cccn1 ZINC000177230822 432600716 /nfs/dbraw/zinc/60/07/16/432600716.db2.gz RBNHJLGGCAFZMN-HNNXBMFYSA-N 1 0 320.396 3.162 10 0 DGAERO O=C(c1csc2ccccc12)N1CCN2CCCC[C@H]2C1 ZINC000195073647 432600774 /nfs/dbraw/zinc/60/07/74/432600774.db2.gz AODIKDKTODRPDN-ZDUSSCGKSA-N 1 0 300.427 3.212 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1ccccc1-n1cccn1 ZINC000177230833 432600939 /nfs/dbraw/zinc/60/09/39/432600939.db2.gz RBNHJLGGCAFZMN-OAHLLOKOSA-N 1 0 320.396 3.162 10 0 DGAERO CCC[N@H+](Cc1nnc(CC)n1C)[C@H]1CCc2ccccc2C1 ZINC000195108102 432603695 /nfs/dbraw/zinc/60/36/95/432603695.db2.gz KLCTZUUFHVDXCC-KRWDZBQOSA-N 1 0 312.461 3.147 10 0 DGAERO CCCc1cccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000187130711 432647902 /nfs/dbraw/zinc/64/79/02/432647902.db2.gz CACIUBMOYGYSJU-SFHVURJKSA-N 1 0 310.445 3.188 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(SC)cc1 ZINC000177515997 432631382 /nfs/dbraw/zinc/63/13/82/432631382.db2.gz LZMGVWHHBVFRGW-LSDHHAIUSA-N 1 0 319.474 3.499 10 0 DGAERO CCc1cccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)c1 ZINC000177507061 432631415 /nfs/dbraw/zinc/63/14/15/432631415.db2.gz BFEIHRBOEAHMFB-DLBZAZTESA-N 1 0 301.434 3.340 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1F ZINC000177505298 432631890 /nfs/dbraw/zinc/63/18/90/432631890.db2.gz VRMNZVXDUFMKQY-ZIAGYGMSSA-N 1 0 305.397 3.225 10 0 DGAERO CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1cccnc1-n1cncn1 ZINC000187005824 432641956 /nfs/dbraw/zinc/64/19/56/432641956.db2.gz YUOGZHOVWXWXBG-GOSISDBHSA-N 1 0 321.428 3.019 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(F)c(OC)c2)CC1 ZINC000187061814 432645597 /nfs/dbraw/zinc/64/55/97/432645597.db2.gz FRHXPWCLPQIZTB-UHFFFAOYSA-N 1 0 323.412 3.078 10 0 DGAERO COc1ccccc1OCC[N@H+](C)CCc1ncc(C)s1 ZINC000157398681 432618556 /nfs/dbraw/zinc/61/85/56/432618556.db2.gz FKANDGNAMCTIDZ-UHFFFAOYSA-N 1 0 306.431 3.013 10 0 DGAERO [NH3+]CC1(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000216437175 432649920 /nfs/dbraw/zinc/64/99/20/432649920.db2.gz GLYVPMFWCBSHPO-RYUDHWBXSA-N 1 0 306.372 3.133 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000177703414 432653279 /nfs/dbraw/zinc/65/32/79/432653279.db2.gz NRKAMFBAAPQLCP-STQMWFEESA-N 1 0 320.462 3.275 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000131585771 292658425 /nfs/dbraw/zinc/65/84/25/292658425.db2.gz SLTPHBZKNPTJLG-KRWDZBQOSA-N 1 0 318.461 3.109 10 0 DGAERO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)C1CCSCC1 ZINC000187278345 432655719 /nfs/dbraw/zinc/65/57/19/432655719.db2.gz AWRHKNRENVSUOB-LLVKDONJSA-N 1 0 301.402 3.465 10 0 DGAERO CCC[C@@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217846774 432656352 /nfs/dbraw/zinc/65/63/52/432656352.db2.gz BQDHRYPWOHNASW-CYBMUJFWSA-N 1 0 304.203 3.229 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)C(=O)NCc1ccccc1)Cc1ccccc1 ZINC000158764783 432657728 /nfs/dbraw/zinc/65/77/28/432657728.db2.gz YUXHJDHEPCNGFI-SJORKVTESA-N 1 0 310.441 3.160 10 0 DGAERO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)c(C)c2c1 ZINC000177765861 432658618 /nfs/dbraw/zinc/65/86/18/432658618.db2.gz BERIKUYOEDQLGC-GFCCVEGCSA-N 1 0 318.417 3.315 10 0 DGAERO COC[C@@H](C)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000187391135 432660633 /nfs/dbraw/zinc/66/06/33/432660633.db2.gz JNRQEASORRZWSD-WFASDCNBSA-N 1 0 317.351 3.361 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000131585578 292658551 /nfs/dbraw/zinc/65/85/51/292658551.db2.gz SLTPHBZKNPTJLG-QGZVFWFLSA-N 1 0 318.461 3.109 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000159003264 432667369 /nfs/dbraw/zinc/66/73/69/432667369.db2.gz JYWDGJHSFGLMFF-PEQKASONSA-N 1 0 304.478 3.048 10 0 DGAERO COc1cc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)ccc1SC ZINC000187895689 432692059 /nfs/dbraw/zinc/69/20/59/432692059.db2.gz AVVFBYFICNHXTO-CXAGYDPISA-N 1 0 309.475 3.400 10 0 DGAERO CC(C)c1noc(CCC[NH2+][C@@H](C)Cc2ccccc2F)n1 ZINC000187936283 432693337 /nfs/dbraw/zinc/69/33/37/432693337.db2.gz ZLCCTNAKWPINLC-ZDUSSCGKSA-N 1 0 305.397 3.486 10 0 DGAERO Cc1csc2nc(C)nc(N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c12 ZINC000274653051 432693684 /nfs/dbraw/zinc/69/36/84/432693684.db2.gz GTDCJLSLJQEMAD-WCQYABFASA-N 1 0 304.463 3.227 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCSC1 ZINC000226380371 432705062 /nfs/dbraw/zinc/70/50/62/432705062.db2.gz GSLSGEJYBWLUPW-ZDUSSCGKSA-N 1 0 316.511 3.413 10 0 DGAERO CSC[C@H](O)C[NH2+][C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000188222860 432713029 /nfs/dbraw/zinc/71/30/29/432713029.db2.gz FKNBJEZLZNIEAN-GOEBONIOSA-N 1 0 311.491 3.486 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1cncc(F)c1 ZINC000178268773 432713231 /nfs/dbraw/zinc/71/32/31/432713231.db2.gz RDOZEJICUCHJPY-NWDGAFQWSA-N 1 0 302.349 3.404 10 0 DGAERO c1c(C[NH+]2CCC([C@@H]3CCCO3)CC2)[nH]nc1-c1ccccc1 ZINC000188247825 432714350 /nfs/dbraw/zinc/71/43/50/432714350.db2.gz YWYFQMJGPHTPQU-IBGZPJMESA-N 1 0 311.429 3.468 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000188303001 432716783 /nfs/dbraw/zinc/71/67/83/432716783.db2.gz LYKRYFQJFFCJSS-ZDUSSCGKSA-N 1 0 303.425 3.329 10 0 DGAERO COC[C@H](C)C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000188358332 432719380 /nfs/dbraw/zinc/71/93/80/432719380.db2.gz QHFQDULIAKELDH-DOMZBBRYSA-N 1 0 317.351 3.361 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccnc4cc(Cl)ccc43)C[C@H]21 ZINC000228550834 432719365 /nfs/dbraw/zinc/71/93/65/432719365.db2.gz LQBWOEAAAHEFCO-NILFDRSVSA-N 1 0 301.821 3.452 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000178321021 432719625 /nfs/dbraw/zinc/71/96/25/432719625.db2.gz AWMVMAWTZKYXMC-INIZCTEOSA-N 1 0 319.836 3.388 10 0 DGAERO [NH3+]Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000178340771 432722804 /nfs/dbraw/zinc/72/28/04/432722804.db2.gz WNVWTSQLECDQHX-OAHLLOKOSA-N 1 0 304.777 3.273 10 0 DGAERO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000230167403 432724229 /nfs/dbraw/zinc/72/42/29/432724229.db2.gz TYVNZLQLPMSJRK-ZDUSSCGKSA-N 1 0 308.422 3.189 10 0 DGAERO Clc1ccc([C@H]([NH2+]CCN2CCSCC2)C2CC2)cc1 ZINC000230146719 432724717 /nfs/dbraw/zinc/72/47/17/432724717.db2.gz YWSRMNFXHMLQPT-MRXNPFEDSA-N 1 0 310.894 3.430 10 0 DGAERO CCCC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(=O)Nc1cc(C)on1 ZINC000187651412 432674636 /nfs/dbraw/zinc/67/46/36/432674636.db2.gz UOHSVNKSJBKZQJ-KBPBESRZSA-N 1 0 323.437 3.028 10 0 DGAERO Cc1c([C@@H](C)[NH2+][C@@H]2CCCOC2)nnn1-c1cccc(Cl)c1 ZINC000177927119 432674654 /nfs/dbraw/zinc/67/46/54/432674654.db2.gz MRAAGCCOWZSVGN-BXUZGUMPSA-N 1 0 320.824 3.059 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)s1 ZINC000177930484 432674719 /nfs/dbraw/zinc/67/47/19/432674719.db2.gz ZLUODJXLOQFTOI-MWLCHTKSSA-N 1 0 306.479 3.392 10 0 DGAERO CCC[C@@H](C)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000187662150 432674986 /nfs/dbraw/zinc/67/49/86/432674986.db2.gz JKDXBPQEFBNOPS-OAHLLOKOSA-N 1 0 300.446 3.476 10 0 DGAERO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000177934508 432675974 /nfs/dbraw/zinc/67/59/74/432675974.db2.gz SXRGYNQLFUCJAY-SMDDNHRTSA-N 1 0 301.308 3.341 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000159284202 432677408 /nfs/dbraw/zinc/67/74/08/432677408.db2.gz GKSATOMQVZLVFR-AWEZNQCLSA-N 1 0 315.461 3.491 10 0 DGAERO CC(C)[C@H](CSc1ccccc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187711202 432678093 /nfs/dbraw/zinc/67/80/93/432678093.db2.gz VYEGZHPIJOCETE-INIZCTEOSA-N 1 0 318.442 3.285 10 0 DGAERO CC[N@H+](CCC(=O)Nc1ccccc1C)CCc1nccs1 ZINC000159288051 432678677 /nfs/dbraw/zinc/67/86/77/432678677.db2.gz HNMJCHLUNZTGFL-UHFFFAOYSA-N 1 0 317.458 3.345 10 0 DGAERO CCN(CCc1nccs1)Cc1nc(C)c2ccccc2n1 ZINC000159328352 432679986 /nfs/dbraw/zinc/67/99/86/432679986.db2.gz CISNUUSENFEYCZ-UHFFFAOYSA-N 1 0 312.442 3.459 10 0 DGAERO CCOC1CC([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000224376364 432681514 /nfs/dbraw/zinc/68/15/14/432681514.db2.gz QMZDBRUMFYZJNZ-UHFFFAOYSA-N 1 0 302.187 3.245 10 0 DGAERO C[C@@H](C[NH2+]CCNC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000187740026 432681874 /nfs/dbraw/zinc/68/18/74/432681874.db2.gz NHWSUGYAAHGGJI-AWEZNQCLSA-N 1 0 316.832 3.463 10 0 DGAERO COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000224760734 432683010 /nfs/dbraw/zinc/68/30/10/432683010.db2.gz DSOLZVQSNKTJGE-IBGZPJMESA-N 1 0 313.397 3.277 10 0 DGAERO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000178021571 432684727 /nfs/dbraw/zinc/68/47/27/432684727.db2.gz MSCYIIYNFABWMU-GOSISDBHSA-N 1 0 312.413 3.166 10 0 DGAERO COc1ccc(C)cc1[C@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000178021630 432685215 /nfs/dbraw/zinc/68/52/15/432685215.db2.gz VXWOOBMMWYBGKZ-HNNXBMFYSA-N 1 0 312.413 3.084 10 0 DGAERO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc2ccccc2n1 ZINC000178023764 432686101 /nfs/dbraw/zinc/68/61/01/432686101.db2.gz WJHYIDLYCXBISS-HNNXBMFYSA-N 1 0 319.408 3.315 10 0 DGAERO COC[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000178030354 432686448 /nfs/dbraw/zinc/68/64/48/432686448.db2.gz SCBFISFBGATTNL-JTQLQIEISA-N 1 0 319.232 3.146 10 0 DGAERO CC1(C)C[C@H]([NH2+]C2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000178041096 432688148 /nfs/dbraw/zinc/68/81/48/432688148.db2.gz RGOXQEVIYAMINI-SFHVURJKSA-N 1 0 322.456 3.458 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1OC ZINC000187844168 432688558 /nfs/dbraw/zinc/68/85/58/432688558.db2.gz GURWQJUJYXBOSA-HIFRSBDPSA-N 1 0 307.434 3.182 10 0 DGAERO Cc1cc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)c(C)s1 ZINC000178049180 432689018 /nfs/dbraw/zinc/68/90/18/432689018.db2.gz VCIHOHBWPMBYNB-LBPRGKRZSA-N 1 0 313.430 3.191 10 0 DGAERO CCc1ccc([C@@H](CC)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178052246 432689507 /nfs/dbraw/zinc/68/95/07/432689507.db2.gz HWPFXJQYLPWJNT-GOSISDBHSA-N 1 0 321.428 3.466 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCOC1 ZINC000225381264 432689550 /nfs/dbraw/zinc/68/95/50/432689550.db2.gz MKNVPFRNNLAPHD-CQSZACIVSA-N 1 0 314.470 3.086 10 0 DGAERO Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCOc4c(C)cccc43)cc12 ZINC000188880283 432750182 /nfs/dbraw/zinc/75/01/82/432750182.db2.gz NHERNLYICDPQCZ-QGZVFWFLSA-N 1 0 322.412 3.199 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc1 ZINC000188984797 432757211 /nfs/dbraw/zinc/75/72/11/432757211.db2.gz QRHCMKMADKSROR-QFBILLFUSA-N 1 0 313.441 3.300 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+][C@H](CO)Cc2cccc(C)c2)cc1 ZINC000189020977 432758416 /nfs/dbraw/zinc/75/84/16/432758416.db2.gz PDNUSZUXRKCURE-LPHOPBHVSA-N 1 0 313.441 3.300 10 0 DGAERO Cc1nc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c(C)s1 ZINC000178637004 432761275 /nfs/dbraw/zinc/76/12/75/432761275.db2.gz RHPOWUMEXHBWLY-UHFFFAOYSA-N 1 0 321.490 3.096 10 0 DGAERO C[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189058034 432762275 /nfs/dbraw/zinc/76/22/75/432762275.db2.gz IHUXJOJGUMYXJY-HZPDHXFCSA-N 1 0 300.446 3.082 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@@H+](CCCSCC(C)C)C2)no1 ZINC000178658745 432763502 /nfs/dbraw/zinc/76/35/02/432763502.db2.gz QIZSUDWGPCGLFC-OAHLLOKOSA-N 1 0 311.495 3.412 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178663198 432763956 /nfs/dbraw/zinc/76/39/56/432763956.db2.gz KZFPAPUQXLONMZ-LFRPXUGBSA-N 1 0 311.491 3.262 10 0 DGAERO C[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000189099028 432764129 /nfs/dbraw/zinc/76/41/29/432764129.db2.gz DXFQCGGLXTZITI-CYBMUJFWSA-N 1 0 300.427 3.126 10 0 DGAERO COc1cccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)c1OC ZINC000189234907 432772098 /nfs/dbraw/zinc/77/20/98/432772098.db2.gz CWUVWNGZZZIURK-PBHICJAKSA-N 1 0 307.434 3.245 10 0 DGAERO CO[C@H]1CN(Cc2ncc(-c3ccc(F)cc3)o2)CC[C@@H]1C ZINC000189300780 432775087 /nfs/dbraw/zinc/77/50/87/432775087.db2.gz MNXNFBZEXFGBGS-LRDDRELGSA-N 1 0 304.365 3.338 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]([NH2+]CC[C@@H]1CCOC1)C2 ZINC000230410376 432728201 /nfs/dbraw/zinc/72/82/01/432728201.db2.gz FTNNBKKLFFNJTA-MLGOLLRUSA-N 1 0 324.262 3.323 10 0 DGAERO C[C@H]([NH2+]CCSC(F)(F)F)c1ccc([S@@](C)=O)cc1 ZINC000178419118 432733819 /nfs/dbraw/zinc/73/38/19/432733819.db2.gz IWLDNFOSAMJGJJ-ZRNGKTOUSA-N 1 0 311.394 3.328 10 0 DGAERO C[C@H]([NH2+]CCSC(F)(F)F)c1ccc([S@](C)=O)cc1 ZINC000178419098 432733921 /nfs/dbraw/zinc/73/39/21/432733921.db2.gz IWLDNFOSAMJGJJ-UGZDLDLSSA-N 1 0 311.394 3.328 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000188763948 432743241 /nfs/dbraw/zinc/74/32/41/432743241.db2.gz GVKFUTZCPKRFAC-QWHCGFSZSA-N 1 0 314.385 3.273 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000188795725 432746080 /nfs/dbraw/zinc/74/60/80/432746080.db2.gz ACIQMOORUUFCGA-MZFXBISCSA-N 1 0 318.442 3.239 10 0 DGAERO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc3c(c2)OCO3)n1 ZINC000178517689 432746673 /nfs/dbraw/zinc/74/66/73/432746673.db2.gz NAUCUNPKRCBJTQ-GFCCVEGCSA-N 1 0 317.389 3.205 10 0 DGAERO Cc1ccn(-c2ccccc2NC(=O)CCCCCC[NH3+])n1 ZINC000162248494 432817235 /nfs/dbraw/zinc/81/72/35/432817235.db2.gz ICYASCUBQJVDRT-UHFFFAOYSA-N 1 0 300.406 3.028 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000245515906 432839166 /nfs/dbraw/zinc/83/91/66/432839166.db2.gz FCVFSRMZNYFTEV-SJLPKXTDSA-N 1 0 302.462 3.116 10 0 DGAERO Cc1ccc(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000244272936 432820994 /nfs/dbraw/zinc/82/09/94/432820994.db2.gz WPMDMLJFHUKGPA-UHFFFAOYSA-N 1 0 308.425 3.060 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000245201169 432825339 /nfs/dbraw/zinc/82/53/39/432825339.db2.gz OWDBXNHFNSVECR-AEFFLSMTSA-N 1 0 302.462 3.388 10 0 DGAERO Cc1csc(=O)n1CC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000245410245 432828182 /nfs/dbraw/zinc/82/81/82/432828182.db2.gz QBQNUWWLGDTEHK-WBMJQRKESA-N 1 0 320.433 3.440 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000162636710 432829788 /nfs/dbraw/zinc/82/97/88/432829788.db2.gz KIWSWGDRMMDYDF-MSOLQXFVSA-N 1 0 306.494 3.441 10 0 DGAERO Cc1ccc(C)c(C(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000162622662 432829823 /nfs/dbraw/zinc/82/98/23/432829823.db2.gz NRTDCFZDWBEPIQ-UHFFFAOYSA-N 1 0 311.429 3.132 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000245423630 432829995 /nfs/dbraw/zinc/82/99/95/432829995.db2.gz RCAQCCSTDQYBMS-XUOJHOASSA-N 1 0 304.409 3.028 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000245434833 432830350 /nfs/dbraw/zinc/83/03/50/432830350.db2.gz RYYPKMOKJYEVEC-CVEARBPZSA-N 1 0 312.417 3.258 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H](C)c1ccccc1F ZINC000245437449 432830393 /nfs/dbraw/zinc/83/03/93/432830393.db2.gz WKBHECXJFIAACL-LSDHHAIUSA-N 1 0 306.425 3.262 10 0 DGAERO Clc1cccc(OCC[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000162686384 432831343 /nfs/dbraw/zinc/83/13/43/432831343.db2.gz XWPIWRMVWOSOGO-UHFFFAOYSA-N 1 0 319.836 3.328 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000245454917 432833203 /nfs/dbraw/zinc/83/32/03/432833203.db2.gz AHUFXEXVVDVSCH-SJORKVTESA-N 1 0 317.477 3.047 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000245457216 432833827 /nfs/dbraw/zinc/83/38/27/432833827.db2.gz UGBZKEGRXUTIGT-IJEWVQPXSA-N 1 0 302.418 3.287 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000245479985 432835502 /nfs/dbraw/zinc/83/55/02/432835502.db2.gz WWEJKRZZAYBJDS-KGLIPLIRSA-N 1 0 324.494 3.110 10 0 DGAERO CCOCC[N@@H+]1CCN([C@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC000245470079 432836022 /nfs/dbraw/zinc/83/60/22/432836022.db2.gz MMDSOMBZGFFSBE-HUUCEWRRSA-N 1 0 323.481 3.076 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2F)[C@@H](C)C1 ZINC000245483831 432836533 /nfs/dbraw/zinc/83/65/33/432836533.db2.gz GFDGVMYZQNNLRM-NHYWBVRUSA-N 1 0 311.376 3.159 10 0 DGAERO C[C@H]1CCCC[C@@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000245496022 432837160 /nfs/dbraw/zinc/83/71/60/432837160.db2.gz QPQWFHQFFIVCLQ-MKXAEBJUSA-N 1 0 307.482 3.222 10 0 DGAERO CCC(CC)(CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000161516159 432783851 /nfs/dbraw/zinc/78/38/51/432783851.db2.gz QAUNVJPFHOLAMF-WBVHZDCISA-N 1 0 302.462 3.378 10 0 DGAERO [NH3+][C@@H](CNC(=O)C[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000178878957 432784936 /nfs/dbraw/zinc/78/49/36/432784936.db2.gz RHIFLWYOTARFSN-MJGOQNOKSA-N 1 0 308.425 3.313 10 0 DGAERO CCC[C@@H](C(=O)N[C@H](C)c1cccc(OC(F)F)c1)[NH+](C)C ZINC000161591923 432788042 /nfs/dbraw/zinc/78/80/42/432788042.db2.gz CYVXHAQCROGWDI-RISCZKNCSA-N 1 0 314.376 3.196 10 0 DGAERO CNC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2C)o1)C(C)C ZINC000178951208 432789918 /nfs/dbraw/zinc/78/99/18/432789918.db2.gz SINHUMBENQTSJC-KRWDZBQOSA-N 1 0 318.392 3.254 10 0 DGAERO O=C1NCC[C@@H]1[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000178991654 432793707 /nfs/dbraw/zinc/79/37/07/432793707.db2.gz YVYWKGITMUWVNA-IRXDYDNUSA-N 1 0 314.816 3.102 10 0 DGAERO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000189512935 432795007 /nfs/dbraw/zinc/79/50/07/432795007.db2.gz VNWOAPPFQQRVIR-OLZOCXBDSA-N 1 0 307.419 3.484 10 0 DGAERO CCn1nccc1C[NH2+]C(CC)(CC)CNC(=O)OC(C)(C)C ZINC000179010302 432795606 /nfs/dbraw/zinc/79/56/06/432795606.db2.gz CDFFATWUURRVFH-UHFFFAOYSA-N 1 0 324.469 3.076 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2csc(Cl)c2)CC1 ZINC000189529919 432796010 /nfs/dbraw/zinc/79/60/10/432796010.db2.gz IRZKVERRNNBHJK-UHFFFAOYSA-N 1 0 300.855 3.252 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000179014594 432796941 /nfs/dbraw/zinc/79/69/41/432796941.db2.gz INDDVAXAWWADFP-SJORKVTESA-N 1 0 313.376 3.393 10 0 DGAERO CC[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc(Cl)c1F ZINC000161771925 432797092 /nfs/dbraw/zinc/79/70/92/432797092.db2.gz XEUBBSZJRCVZDY-HOCLYGCPSA-N 1 0 315.816 3.309 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cc(F)cc2c1OCOC2 ZINC000179039516 432797693 /nfs/dbraw/zinc/79/76/93/432797693.db2.gz YPQJAQFRIGIZQE-UHFFFAOYSA-N 1 0 322.405 3.213 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000189570557 432800357 /nfs/dbraw/zinc/80/03/57/432800357.db2.gz INPNKMAVGVQOMH-QZTJIDSGSA-N 1 0 317.477 3.163 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000189571281 432800550 /nfs/dbraw/zinc/80/05/50/432800550.db2.gz QNIMXIAUTICYAT-ZIAGYGMSSA-N 1 0 313.401 3.158 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000189570576 432800828 /nfs/dbraw/zinc/80/08/28/432800828.db2.gz INPNKMAVGVQOMH-ROUUACIJSA-N 1 0 317.477 3.163 10 0 DGAERO CCOc1cc2c(cc1OCC)C[N@H+](C[C@H](C)COC)CC2 ZINC000189584614 432802453 /nfs/dbraw/zinc/80/24/53/432802453.db2.gz DKXMEXHGTPFPEV-AWEZNQCLSA-N 1 0 307.434 3.125 10 0 DGAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2ccccc2)cc1 ZINC000237969252 432807225 /nfs/dbraw/zinc/80/72/25/432807225.db2.gz WMBXVPPNSSBMPS-DFNIBXOVSA-N 1 0 306.409 3.366 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245742026 432859867 /nfs/dbraw/zinc/85/98/67/432859867.db2.gz FDPCYCFUFNWJRD-KFWWJZLASA-N 1 0 323.506 3.091 10 0 DGAERO COc1c(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c(C)nn1C ZINC000245739340 432860447 /nfs/dbraw/zinc/86/04/47/432860447.db2.gz LJUKDZFHHBXSCQ-IUODEOHRSA-N 1 0 317.408 3.254 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000245782705 432863310 /nfs/dbraw/zinc/86/33/10/432863310.db2.gz UOAKFGXKTCORNF-HNAYVOBHSA-N 1 0 312.461 3.239 10 0 DGAERO COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000245813733 432864527 /nfs/dbraw/zinc/86/45/27/432864527.db2.gz CUVRWEZHSDYFHM-CVEARBPZSA-N 1 0 313.445 3.444 10 0 DGAERO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000245838221 432865003 /nfs/dbraw/zinc/86/50/03/432865003.db2.gz IWXHFKWZJOUMMJ-LESCRADOSA-N 1 0 318.461 3.130 10 0 DGAERO c1ccc(OCC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245876952 432867410 /nfs/dbraw/zinc/86/74/10/432867410.db2.gz MTUYHSJCKPAPGV-RDJZCZTQSA-N 1 0 307.459 3.052 10 0 DGAERO CC[C@@H](C)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000245894595 432868155 /nfs/dbraw/zinc/86/81/55/432868155.db2.gz HVMSYTHIBACJSK-PBHICJAKSA-N 1 0 304.434 3.089 10 0 DGAERO CC1(C)[C@H]([NH2+]CCCCNc2ccccn2)[C@H]2CCCO[C@H]21 ZINC000245934512 432871398 /nfs/dbraw/zinc/87/13/98/432871398.db2.gz SYHXNTOOHTXFGC-DJIMGWMZSA-N 1 0 303.450 3.067 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(Cl)cc1C ZINC000246016001 432874455 /nfs/dbraw/zinc/87/44/55/432874455.db2.gz JBWQCAZOAGPXCH-STQMWFEESA-N 1 0 322.840 3.134 10 0 DGAERO C[C@H]1C[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC000246010686 432874495 /nfs/dbraw/zinc/87/44/95/432874495.db2.gz HYCQAOJAUOSIBX-UONOGXRCSA-N 1 0 314.495 3.071 10 0 DGAERO CCC[C@H](C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000245536244 432840675 /nfs/dbraw/zinc/84/06/75/432840675.db2.gz ZHTSUMYUUFCHHE-RYQLBKOJSA-N 1 0 302.462 3.369 10 0 DGAERO Fc1ccc(-c2n[nH]cc2CN2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000245549459 432842504 /nfs/dbraw/zinc/84/25/04/432842504.db2.gz ZERKHTMGAFVRHY-SJORKVTESA-N 1 0 315.392 3.359 10 0 DGAERO Fc1ccccc1-c1n[nH]cc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000245549972 432843417 /nfs/dbraw/zinc/84/34/17/432843417.db2.gz ZWBQRADTKCESRS-SJORKVTESA-N 1 0 315.392 3.359 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CCCC[C@H]1C)CC2 ZINC000245583577 432848434 /nfs/dbraw/zinc/84/84/34/432848434.db2.gz AAMAGMJZCXEHGY-NCOADZHNSA-N 1 0 307.482 3.222 10 0 DGAERO COC[C@H](C)[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245586152 432848457 /nfs/dbraw/zinc/84/84/57/432848457.db2.gz JLAVALAPDWOAFH-RBOXIYTFSA-N 1 0 314.832 3.096 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000245613735 432850343 /nfs/dbraw/zinc/85/03/43/432850343.db2.gz UJZJPRNGGHYUFZ-YESZJQIVSA-N 1 0 308.853 3.100 10 0 DGAERO COc1ccc(OC)c(CN(CC[C@@H]2CCC[N@@H+]2C)C2CC2)c1 ZINC000163349145 432851423 /nfs/dbraw/zinc/85/14/23/432851423.db2.gz CLCVAIFTJWLUFB-INIZCTEOSA-N 1 0 318.461 3.153 10 0 DGAERO Cc1cncc(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000163424926 432852018 /nfs/dbraw/zinc/85/20/18/432852018.db2.gz NJVMSGFGRJBLQZ-FQEVSTJZSA-N 1 0 323.440 3.175 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CCC[C@@H](C)C1)CC2 ZINC000245651826 432853154 /nfs/dbraw/zinc/85/31/54/432853154.db2.gz BZPVWZPBUXJEFI-TWMKSMIVSA-N 1 0 307.482 3.222 10 0 DGAERO CC[C@H](C)[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245649164 432853254 /nfs/dbraw/zinc/85/32/54/432853254.db2.gz MKOLUVINDGBSHL-NXNVCVFFSA-N 1 0 303.450 3.166 10 0 DGAERO CN1CC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c2ccccc21 ZINC000245654696 432853371 /nfs/dbraw/zinc/85/33/71/432853371.db2.gz CURJKNIMFYOWPN-YCEFEEMOSA-N 1 0 314.473 3.403 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H]1c1ccccc1 ZINC000245674792 432853937 /nfs/dbraw/zinc/85/39/37/432853937.db2.gz SXWFAHDZABHTBF-IAGOWNOFSA-N 1 0 313.376 3.393 10 0 DGAERO CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245677906 432855079 /nfs/dbraw/zinc/85/50/79/432855079.db2.gz UKLMTJRAJGSGOU-RBUKOAKNSA-N 1 0 323.440 3.273 10 0 DGAERO C[C@H](CCSc1ccccc1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245688982 432855722 /nfs/dbraw/zinc/85/57/22/432855722.db2.gz OMNAMJJAGRWBCP-HZPDHXFCSA-N 1 0 316.474 3.486 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000245699680 432856597 /nfs/dbraw/zinc/85/65/97/432856597.db2.gz CDHCHBXOLKOGMP-WFASDCNBSA-N 1 0 310.800 3.035 10 0 DGAERO Cc1cc2cc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)ccc2[nH]1 ZINC000245709825 432857612 /nfs/dbraw/zinc/85/76/12/432857612.db2.gz CEONEVVFKAANFJ-CZUORRHYSA-N 1 0 312.417 3.177 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000245739715 432859692 /nfs/dbraw/zinc/85/96/92/432859692.db2.gz GBHTYWGKZIHJAN-OLZOCXBDSA-N 1 0 307.825 3.349 10 0 DGAERO CC[C@H]1CCN1Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000330277672 432902091 /nfs/dbraw/zinc/90/20/91/432902091.db2.gz OPBCHSZZUGXVJA-MNOVXSKESA-N 1 0 316.474 3.383 10 0 DGAERO Cc1cn[nH]c1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000289746888 432972462 /nfs/dbraw/zinc/97/24/62/432972462.db2.gz FERDRJHTNBWLJF-ZDUSSCGKSA-N 1 0 306.207 3.258 10 0 DGAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)C1CCOCC1 ZINC000155109554 292699266 /nfs/dbraw/zinc/69/92/66/292699266.db2.gz FIHULORGBZWZRU-CQSZACIVSA-N 1 0 304.434 3.058 10 0 DGAERO O=C(Nc1cccc2[nH]ccc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333194967 433039000 /nfs/dbraw/zinc/03/90/00/433039000.db2.gz VYSQVHMQQWDMLL-HNNXBMFYSA-N 1 0 312.417 3.164 10 0 DGAERO CCCc1csc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000333191291 433039742 /nfs/dbraw/zinc/03/97/42/433039742.db2.gz VBLBXUNYNHOFHU-CQSZACIVSA-N 1 0 322.478 3.092 10 0 DGAERO O=C(Nc1nc(C2CCC2)cs1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333341017 433050387 /nfs/dbraw/zinc/05/03/87/433050387.db2.gz PRNMQUMTJAGZBK-UHFFFAOYSA-N 1 0 320.462 3.018 10 0 DGAERO O=C(Nc1ccc2cnccc2c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333386341 433050917 /nfs/dbraw/zinc/05/09/17/433050917.db2.gz WUTNZABGLVLKDJ-IAGOWNOFSA-N 1 0 324.428 3.088 10 0 DGAERO CC[C@@H]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000156002543 292721753 /nfs/dbraw/zinc/72/17/53/292721753.db2.gz WQFBBBVELPMJLT-AEFFLSMTSA-N 1 0 321.509 3.473 10 0 DGAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC000372935933 433061418 /nfs/dbraw/zinc/06/14/18/433061418.db2.gz LTRYYSFZMOQTBK-OAHLLOKOSA-N 1 0 318.465 3.014 10 0 DGAERO COCC1(C[N@@H+]2CCCN(Cc3ccccc3)CC2)CCC1 ZINC000361287954 433081728 /nfs/dbraw/zinc/08/17/28/433081728.db2.gz MTAPCSLIOVSKLE-UHFFFAOYSA-N 1 0 302.462 3.011 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)o2)C[C@H](C)O1 ZINC000341491739 433090866 /nfs/dbraw/zinc/09/08/66/433090866.db2.gz UWZYQPUEUZSFRO-JGPRNRPPSA-N 1 0 302.212 3.335 10 0 DGAERO FC(F)c1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2cc(Cl)ccc2n1 ZINC000420237339 433135196 /nfs/dbraw/zinc/13/51/96/433135196.db2.gz CFBRYKZKNFTQFU-AOOOYVTPSA-N 1 0 323.774 3.481 10 0 DGAERO c1cc(C[NH+]2CCC(Nc3cc4c(cn3)CCC4)CC2)ccn1 ZINC000354543940 433143096 /nfs/dbraw/zinc/14/30/96/433143096.db2.gz QGDYFNUYBKPAAY-UHFFFAOYSA-N 1 0 308.429 3.042 10 0 DGAERO O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333793165 433104517 /nfs/dbraw/zinc/10/45/17/433104517.db2.gz MRJJIYFQCKIRLD-KZNAEPCWSA-N 1 0 315.461 3.154 10 0 DGAERO OCCC1([NH2+]Cc2csc(Br)c2)CCCC1 ZINC000336690750 433180232 /nfs/dbraw/zinc/18/02/32/433180232.db2.gz WQZKGKNIKQJZPX-UHFFFAOYSA-N 1 0 304.253 3.295 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(CCC(C)C)C2CC2)CC1 ZINC000157764993 292751944 /nfs/dbraw/zinc/75/19/44/292751944.db2.gz DMXXZMPQZOGILC-UHFFFAOYSA-N 1 0 309.498 3.329 10 0 DGAERO c1c(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)nc2ccccn12 ZINC000374472675 433201919 /nfs/dbraw/zinc/20/19/19/433201919.db2.gz QXJYFFSWRLLNIE-QFBILLFUSA-N 1 0 307.397 3.202 10 0 DGAERO c1ccc([C@@H]([NH2+]Cc2cccc3c2OCO3)[C@H]2CCOC2)cc1 ZINC000374486432 433203991 /nfs/dbraw/zinc/20/39/91/433203991.db2.gz HDOASKPMHUFMKD-FUHWJXTLSA-N 1 0 311.381 3.283 10 0 DGAERO c1ccc(-c2ccc(CN3CCC[C@H]([NH+]4CCCC4)C3)cn2)nc1 ZINC000425399302 433223695 /nfs/dbraw/zinc/22/36/95/433223695.db2.gz AXYXAFHFAYAYAR-SFHVURJKSA-N 1 0 322.456 3.204 10 0 DGAERO CSc1ccccc1C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000361528961 433227197 /nfs/dbraw/zinc/22/71/97/433227197.db2.gz WRNCDFCZRDFMPG-KRWDZBQOSA-N 1 0 307.459 3.178 10 0 DGAERO CSc1ccccc1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000361528970 433227507 /nfs/dbraw/zinc/22/75/07/433227507.db2.gz WRNCDFCZRDFMPG-QGZVFWFLSA-N 1 0 307.459 3.178 10 0 DGAERO c1cnc2c(c1)nccc2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338683212 433314891 /nfs/dbraw/zinc/31/48/91/433314891.db2.gz UMNGHDGXJRVCHG-WMLDXEAASA-N 1 0 308.429 3.083 10 0 DGAERO c1cn(CC[NH2+][C@H](COCc2ccccc2)c2ccccc2)cn1 ZINC000341851137 433315956 /nfs/dbraw/zinc/31/59/56/433315956.db2.gz FQWMJUOUTZPEOX-HXUWFJFHSA-N 1 0 321.424 3.431 10 0 DGAERO Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)c1C ZINC000361632498 433299924 /nfs/dbraw/zinc/29/99/24/433299924.db2.gz STEVTPANOPIOMS-GOSISDBHSA-N 1 0 302.462 3.281 10 0 DGAERO OCC1([NH2+]Cc2ccc(Cl)c3ccccc23)CCOCC1 ZINC000420904323 433304804 /nfs/dbraw/zinc/30/48/04/433304804.db2.gz PQJODTWUFZSZIM-UHFFFAOYSA-N 1 0 305.805 3.124 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448034364 433355972 /nfs/dbraw/zinc/35/59/72/433355972.db2.gz HRSANKDQSBZJNJ-CVEARBPZSA-N 1 0 307.482 3.105 10 0 DGAERO c1coc(-c2cc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)no2)c1 ZINC000351076229 433365013 /nfs/dbraw/zinc/36/50/13/433365013.db2.gz LHHHPVWUMJXEEP-UHFFFAOYSA-N 1 0 319.280 3.299 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)n(-c2ccccc2)n1 ZINC000448333124 433386322 /nfs/dbraw/zinc/38/63/22/433386322.db2.gz AOFQFUHXESBWHB-LJQANCHMSA-N 1 0 311.429 3.263 10 0 DGAERO C[C@H]1CC[N@H+](CCC(=O)Nc2cccnc2)[C@@H](c2ccco2)C1 ZINC000361834831 433411500 /nfs/dbraw/zinc/41/15/00/433411500.db2.gz XCPAKMWOAMDUCU-GOEBONIOSA-N 1 0 313.401 3.476 10 0 DGAERO c1cc2c(c(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)c1)OCO2 ZINC000361896997 433442780 /nfs/dbraw/zinc/44/27/80/433442780.db2.gz OJEDDUFKSWHPRT-NUEKZKHPSA-N 1 0 303.402 3.100 10 0 DGAERO c1ccc2nc(C[N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)ccc2c1 ZINC000375407944 433452544 /nfs/dbraw/zinc/45/25/44/433452544.db2.gz ZKMTXXDYMRRIFN-HNNXBMFYSA-N 1 0 320.396 3.485 10 0 DGAERO C[N@@H+]1CCN(C(=O)N2CCc3ccccc32)C2(CCCCC2)C1 ZINC000445057179 290014479 /nfs/dbraw/zinc/01/44/79/290014479.db2.gz GVOIWOPANXBGHQ-UHFFFAOYSA-N 1 0 313.445 3.119 10 0 DGAERO CCc1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)oc1CC ZINC000159235799 292787576 /nfs/dbraw/zinc/78/75/76/292787576.db2.gz HJUWSFBJODDOHI-UHFFFAOYSA-N 1 0 306.450 3.351 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C2CCCC2)o1 ZINC000159268020 292788564 /nfs/dbraw/zinc/78/85/64/292788564.db2.gz XGXZTDDFDIKBAT-AWEZNQCLSA-N 1 0 307.438 3.165 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)c1ccccc1)CCC2 ZINC000361965960 433471877 /nfs/dbraw/zinc/47/18/77/433471877.db2.gz JHUTYPRYDXTVQM-XLIONFOSSA-N 1 0 311.425 3.438 10 0 DGAERO CN1C[C@H]([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CCC1=O ZINC000152451510 290309648 /nfs/dbraw/zinc/30/96/48/290309648.db2.gz OTSNJXZDFCKFBH-TZMCWYRMSA-N 1 0 324.877 3.477 10 0 DGAERO CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccnc(C)n1 ZINC000375643472 433515664 /nfs/dbraw/zinc/51/56/64/433515664.db2.gz VQJVFEHGARSHCP-GOSISDBHSA-N 1 0 321.428 3.492 10 0 DGAERO C[C@@H]1CC(C[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000282160982 433516356 /nfs/dbraw/zinc/51/63/56/433516356.db2.gz IMCGTMDUPYNHOX-IAGOWNOFSA-N 1 0 316.489 3.444 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000375673108 433524497 /nfs/dbraw/zinc/52/44/97/433524497.db2.gz OYZLDANIMJIVRD-SFHVURJKSA-N 1 0 307.401 3.241 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)C[S@](C)=O ZINC000342141291 433498179 /nfs/dbraw/zinc/49/81/79/433498179.db2.gz OWWCHFAIYUIUKX-XQZKAADWSA-N 1 0 319.392 3.465 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000186757650 290602180 /nfs/dbraw/zinc/60/21/80/290602180.db2.gz ZWHDZVVXBDZNQZ-GOEBONIOSA-N 1 0 318.486 3.206 10 0 DGAERO C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1nnc(C2CC2)s1 ZINC000414322594 433541827 /nfs/dbraw/zinc/54/18/27/433541827.db2.gz HGJDIRCYNOJBHS-MJBXVCDLSA-N 1 0 307.463 3.100 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)C1 ZINC000355422471 433544586 /nfs/dbraw/zinc/54/45/86/433544586.db2.gz ODEZELDONBSGMP-SKWUIDRYSA-N 1 0 300.446 3.027 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)cc2)n1 ZINC000339515102 433633478 /nfs/dbraw/zinc/63/34/78/433633478.db2.gz OEPYMMASLGWLLL-IEBWSBKVSA-N 1 0 304.397 3.161 10 0 DGAERO NC(=O)[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000376003060 433637664 /nfs/dbraw/zinc/63/76/64/433637664.db2.gz IDYYQUYTNGXIQB-DJIMGWMZSA-N 1 0 314.816 3.402 10 0 DGAERO c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)s2)cc1 ZINC000362314245 433641097 /nfs/dbraw/zinc/64/10/97/433641097.db2.gz FKHSSIFCWZJFIQ-CABCVRRESA-N 1 0 315.442 3.206 10 0 DGAERO CC(C)c1cnc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)s1 ZINC000376017296 433642018 /nfs/dbraw/zinc/64/20/18/433642018.db2.gz CDOYEIGTJQFFCB-MRXNPFEDSA-N 1 0 310.463 3.036 10 0 DGAERO c1cc2cccc(C[NH2+]Cc3cc(-c4cccnc4)n[nH]3)c2[nH]1 ZINC000342307870 433605520 /nfs/dbraw/zinc/60/55/20/433605520.db2.gz WACKGAHGZKXRFE-UHFFFAOYSA-N 1 0 303.369 3.243 10 0 DGAERO Brc1cccc(C[NH2+][C@H]2CCCc3n[nH]cc32)c1 ZINC000375896402 433605497 /nfs/dbraw/zinc/60/54/97/433605497.db2.gz WMRNFRQAGCLNSO-ZDUSSCGKSA-N 1 0 306.207 3.339 10 0 DGAERO C[C@H](F)CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000339495662 433619692 /nfs/dbraw/zinc/61/96/92/433619692.db2.gz ZHZPKFZXMURYQQ-VIFPVBQESA-N 1 0 318.186 3.058 10 0 DGAERO c1ncn(-c2ccc(C[N@@H+]3CC4C[C@@H]5CC3C[C@H](C4)C5)cc2)n1 ZINC000362370611 433663074 /nfs/dbraw/zinc/66/30/74/433663074.db2.gz YSXYYQHZZNDYSO-GIOYIUAESA-N 1 0 308.429 3.278 10 0 DGAERO Cc1nocc1C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000293232807 433667480 /nfs/dbraw/zinc/66/74/80/433667480.db2.gz KTYSDVOJKRUTRO-IAGOWNOFSA-N 1 0 300.402 3.457 10 0 DGAERO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000376132287 433675484 /nfs/dbraw/zinc/67/54/84/433675484.db2.gz LUVLSCNKOQTTDU-HOTGVXAUSA-N 1 0 321.428 3.249 10 0 DGAERO CC[N@@H+]1CCc2c(cccc2Nc2ccc3nccnc3n2)C1 ZINC000301685511 433676112 /nfs/dbraw/zinc/67/61/12/433676112.db2.gz HVGMQLSEMSDRKQ-UHFFFAOYSA-N 1 0 305.385 3.146 10 0 DGAERO Fc1cnccc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000449023622 433678614 /nfs/dbraw/zinc/67/86/14/433678614.db2.gz SNHXUIASEZVNHL-INIZCTEOSA-N 1 0 305.441 3.309 10 0 DGAERO C[N@@H+](Cc1cccc2ccoc21)C[C@H]1CCCN1c1cccnn1 ZINC000449028859 433685694 /nfs/dbraw/zinc/68/56/94/433685694.db2.gz PLXWECUTALUHHK-QGZVFWFLSA-N 1 0 322.412 3.324 10 0 DGAERO O[C@@H](CN1CCOc2cccc(F)c2C1)c1ccc(F)cc1F ZINC000366888179 293000900 /nfs/dbraw/zinc/00/09/00/293000900.db2.gz XLDOFSAIJPJQMN-INIZCTEOSA-N 1 0 323.314 3.032 10 0 DGAERO Cc1cc[nH]c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000367004426 293012246 /nfs/dbraw/zinc/01/22/46/293012246.db2.gz TURNRGLIRKIFOE-SJLPKXTDSA-N 1 0 311.429 3.136 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000367125061 293027893 /nfs/dbraw/zinc/02/78/93/293027893.db2.gz CGUMMUDDUSILAS-LZWOXQAQSA-N 1 0 309.475 3.275 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCOC(F)F ZINC000367181540 293035023 /nfs/dbraw/zinc/03/50/23/293035023.db2.gz YUWKRQOYCINBCI-GDBMZVCRSA-N 1 0 312.404 3.116 10 0 DGAERO COC[C@H](C)[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245586148 293035055 /nfs/dbraw/zinc/03/50/55/293035055.db2.gz JLAVALAPDWOAFH-GHJWDPDVSA-N 1 0 314.832 3.096 10 0 DGAERO CC(C)[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000367382307 293065148 /nfs/dbraw/zinc/06/51/48/293065148.db2.gz SELKTOFOGRVQSY-ARFHVFGLSA-N 1 0 311.491 3.433 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Cl)nc1Cl ZINC000283229067 433695003 /nfs/dbraw/zinc/69/50/03/433695003.db2.gz UAYUDVXWAKUWAU-JQWIXIFHSA-N 1 0 300.233 3.057 10 0 DGAERO CCC1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000370164329 293160339 /nfs/dbraw/zinc/16/03/39/293160339.db2.gz WQQLBUZRHMXFMZ-DZGCQCFKSA-N 1 0 306.475 3.437 10 0 DGAERO c1cn(-c2ccc(C[N@H+]3CC[C@@H](Cc4ccncc4)C3)cc2)cn1 ZINC000370719386 293185903 /nfs/dbraw/zinc/18/59/03/293185903.db2.gz KXCZCEUYFZYUIN-IBGZPJMESA-N 1 0 318.424 3.332 10 0 DGAERO CCC[C@H](C(=O)N1CC=C(c2cccc(OC)c2)CC1)[NH+](C)C ZINC000372353560 293238274 /nfs/dbraw/zinc/23/82/74/293238274.db2.gz ADLOYJDCOXZZQC-GOSISDBHSA-N 1 0 316.445 3.041 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180505889 293244351 /nfs/dbraw/zinc/24/43/51/293244351.db2.gz DYJYSASMLLYEMT-YPMHNXCESA-N 1 0 319.478 3.140 10 0 DGAERO C(=C/[C@H]1CCCCC[N@H+]1CCn1cncn1)\c1cccs1 ZINC000373270007 293255078 /nfs/dbraw/zinc/25/50/78/293255078.db2.gz XMJROFNNJOIUAQ-MVGZEHJDSA-N 1 0 302.447 3.298 10 0 DGAERO c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000373708064 293308244 /nfs/dbraw/zinc/30/82/44/293308244.db2.gz NGAAAKMWJBAJCH-OKZBNKHCSA-N 1 0 315.461 3.081 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)[C@@H]2CCCO[C@@H]21 ZINC000374157970 293359576 /nfs/dbraw/zinc/35/95/76/293359576.db2.gz IYEAJFIPVNPKBT-UAGQMJEPSA-N 1 0 312.413 3.234 10 0 DGAERO Cn1nccc1[C@H]1CCCC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000374160448 293360367 /nfs/dbraw/zinc/36/03/67/293360367.db2.gz MSQBIPBINLBPPC-MRXNPFEDSA-N 1 0 321.465 3.459 10 0 DGAERO c1c2ccccc2sc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000374267014 293374468 /nfs/dbraw/zinc/37/44/68/293374468.db2.gz CDFXXPCBCNCFJO-RHSMWYFYSA-N 1 0 303.427 3.329 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC23CCOCC3)cc1OC ZINC000374336665 293386165 /nfs/dbraw/zinc/38/61/65/293386165.db2.gz HKDIXLXMPYKNJL-KSSFIOAISA-N 1 0 319.445 3.184 10 0 DGAERO c1csc(-c2nc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)co2)c1 ZINC000362446240 433719871 /nfs/dbraw/zinc/71/98/71/433719871.db2.gz HFYRAEHFKZDZMB-OCCSQVGLSA-N 1 0 304.415 3.404 10 0 DGAERO CCc1c(Cl)nc(C)nc1N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000301800819 433727080 /nfs/dbraw/zinc/72/70/80/433727080.db2.gz VVOBLTOQXXHICJ-LBPRGKRZSA-N 1 0 322.884 3.454 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2ccsc2)CC1 ZINC000362526101 433735043 /nfs/dbraw/zinc/73/50/43/433735043.db2.gz PTRDXRQHWTWWCB-INIZCTEOSA-N 1 0 306.475 3.329 10 0 DGAERO O[C@H]1[C@H](C[NH2+]Cc2sccc2Cl)CCC12CCOCC2 ZINC000374684696 293435242 /nfs/dbraw/zinc/43/52/42/293435242.db2.gz BBFVJXWHDNIJDK-FZMZJTMJSA-N 1 0 315.866 3.059 10 0 DGAERO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000449701464 433761873 /nfs/dbraw/zinc/76/18/73/433761873.db2.gz WNZVBFYUCAZCKU-RHSMWYFYSA-N 1 0 311.429 3.477 10 0 DGAERO CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000362573249 433765978 /nfs/dbraw/zinc/76/59/78/433765978.db2.gz QIIPPZGUAFPABR-AWEZNQCLSA-N 1 0 306.425 3.467 10 0 DGAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356833758 433724027 /nfs/dbraw/zinc/72/40/27/433724027.db2.gz FNAPAJRUFSOPER-DZGCQCFKSA-N 1 0 322.415 3.054 10 0 DGAERO C[C@H](N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1nc(C2CC2)no1 ZINC000284282738 433875898 /nfs/dbraw/zinc/87/58/98/433875898.db2.gz NKXSCCYFKZMHIE-RCBQFDQVSA-N 1 0 312.417 3.043 10 0 DGAERO c1ccc2c(c1)C[C@@H]1C[N@H+](CC[C@H]3CCCCO3)CCCN21 ZINC000351993316 433841516 /nfs/dbraw/zinc/84/15/16/433841516.db2.gz IDIXXPPSGFIGOS-QZTJIDSGSA-N 1 0 300.446 3.083 10 0 DGAERO CCC(CC)Oc1ccc(C(=O)NCCCC[NH+](C)C)cc1 ZINC000449878560 433847480 /nfs/dbraw/zinc/84/74/80/433847480.db2.gz BLDUJLCAYHVZHZ-UHFFFAOYSA-N 1 0 306.450 3.326 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccco2)[C@H]1c1cccs1 ZINC000362801440 433865756 /nfs/dbraw/zinc/86/57/56/433865756.db2.gz FLPJCLUQNXUFAN-GUYCJALGSA-N 1 0 318.442 3.083 10 0 DGAERO O=C1CCCCN1CCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436236364 433909743 /nfs/dbraw/zinc/90/97/43/433909743.db2.gz FGZWJXIDRMIUCB-ROUUACIJSA-N 1 0 300.446 3.315 10 0 DGAERO C[C@H]1CCC[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000362927933 433911221 /nfs/dbraw/zinc/91/12/21/433911221.db2.gz NDVHBNIVFODTND-AWEZNQCLSA-N 1 0 303.402 3.153 10 0 DGAERO Cc1c[nH]cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000357217850 433912096 /nfs/dbraw/zinc/91/20/96/433912096.db2.gz GYHAOYXLABTOEH-CJNGLKHVSA-N 1 0 317.458 3.198 10 0 DGAERO OCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000436242148 433915652 /nfs/dbraw/zinc/91/56/52/433915652.db2.gz SULMTWIXOIQPSJ-RTBURBONSA-N 1 0 311.425 3.484 10 0 DGAERO CN(CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)CC(F)(F)F ZINC000436246306 433916859 /nfs/dbraw/zinc/91/68/59/433916859.db2.gz PWFURIXSHDGQLL-CABCVRRESA-N 1 0 300.368 3.406 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(O)c1 ZINC000357250732 433927713 /nfs/dbraw/zinc/92/77/13/433927713.db2.gz BMCPUYHNJTXLPZ-JKSUJKDBSA-N 1 0 324.424 3.127 10 0 DGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000339985184 433879179 /nfs/dbraw/zinc/87/91/79/433879179.db2.gz KKQWDILIASAKIP-OJFPTFHUSA-N 1 0 319.445 3.043 10 0 DGAERO CCC[C@H](OC)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000449937708 433881101 /nfs/dbraw/zinc/88/11/01/433881101.db2.gz ZJLZXAYUWUCVCR-YCPHGPKFSA-N 1 0 324.490 3.062 10 0 DGAERO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000457053957 433953180 /nfs/dbraw/zinc/95/31/80/433953180.db2.gz KOUSGQUEGBWNJY-UKRRQHHQSA-N 1 0 322.399 3.059 10 0 DGAERO c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CCO[C@]4(CCOC4)C3)C2)cc1 ZINC000436418699 433964291 /nfs/dbraw/zinc/96/42/91/433964291.db2.gz WNDTWUDXXCHUMV-YDZRNGNQSA-N 1 0 301.430 3.250 10 0 DGAERO Cc1cnn(C)c1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000352251131 434006855 /nfs/dbraw/zinc/00/68/55/434006855.db2.gz OHQZGXMZXXYIDX-NSHDSACASA-N 1 0 308.223 3.342 10 0 DGAERO COc1ccc(C[NH2+]CCCCOCc2ccccc2)cn1 ZINC000390577088 293823715 /nfs/dbraw/zinc/82/37/15/293823715.db2.gz GGUKPYXWMLBISY-UHFFFAOYSA-N 1 0 300.402 3.177 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC000304582869 434015178 /nfs/dbraw/zinc/01/51/78/434015178.db2.gz JZZPQUWULUISGD-VHSXEESVSA-N 1 0 304.253 3.151 10 0 DGAERO CC(=O)c1ccc(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)o1 ZINC000345957769 434022323 /nfs/dbraw/zinc/02/23/23/434022323.db2.gz KGQWJGNASIZUMA-UHFFFAOYSA-N 1 0 320.433 3.209 10 0 DGAERO CSCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400497566 293864888 /nfs/dbraw/zinc/86/48/88/293864888.db2.gz BHWJBZHDGFABMS-UONOGXRCSA-N 1 0 316.511 3.365 10 0 DGAERO CSC1(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400731655 293865385 /nfs/dbraw/zinc/86/53/85/293865385.db2.gz QSPPBKDZHMSIHV-CHWSQXEVSA-N 1 0 314.495 3.117 10 0 DGAERO CSC(C)(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739454 293865543 /nfs/dbraw/zinc/86/55/43/293865543.db2.gz SJGSAOMPOZGWAD-STQMWFEESA-N 1 0 316.511 3.363 10 0 DGAERO C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400705776 293865882 /nfs/dbraw/zinc/86/58/82/293865882.db2.gz CPUIODLRINQVPQ-WDEREUQCSA-N 1 0 310.360 3.174 10 0 DGAERO OCCC1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000400935814 293866551 /nfs/dbraw/zinc/86/65/51/293866551.db2.gz KNOHDGQFFNEFJQ-UHFFFAOYSA-N 1 0 318.244 3.467 10 0 DGAERO c1ccc(C[N@@H+]2CCCN(c3nc(C4CCC4)no3)CC2)cc1 ZINC000450235577 434045046 /nfs/dbraw/zinc/04/50/46/434045046.db2.gz WFYMGMKXMNNCAH-UHFFFAOYSA-N 1 0 312.417 3.049 10 0 DGAERO C[N@H+](CCCCNC(=O)Cc1csc2ccccc12)C1CC1 ZINC000457196033 434045820 /nfs/dbraw/zinc/04/58/20/434045820.db2.gz HKBMQBUACVONDZ-UHFFFAOYSA-N 1 0 316.470 3.434 10 0 DGAERO C[NH+](C)CC(C)(C)NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000457253215 434072060 /nfs/dbraw/zinc/07/20/60/434072060.db2.gz WOTFWKHXYVDDIW-UHFFFAOYSA-N 1 0 316.367 3.094 10 0 DGAERO c1ccc2nc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)ccc2c1 ZINC000363548954 434084837 /nfs/dbraw/zinc/08/48/37/434084837.db2.gz KTHZQXRSTOHXPT-INIZCTEOSA-N 1 0 304.397 3.404 10 0 DGAERO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1c(F)cccc1Br ZINC000357612000 434099601 /nfs/dbraw/zinc/09/96/01/434099601.db2.gz UCMCZBMCMLUGGC-QWRGUYRKSA-N 1 0 315.230 3.113 10 0 DGAERO c1onc(Cc2ccccc2)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000353385567 434099612 /nfs/dbraw/zinc/09/96/12/434099612.db2.gz HFELDCBWLGPKNE-IBGZPJMESA-N 1 0 312.413 3.268 10 0 DGAERO C[N@H+](CCCCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)C1CC1 ZINC000457210385 434052166 /nfs/dbraw/zinc/05/21/66/434052166.db2.gz VLYIZBBVYCUELB-HOCLYGCPSA-N 1 0 322.399 3.059 10 0 DGAERO CC(C)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000450330502 434104489 /nfs/dbraw/zinc/10/44/89/434104489.db2.gz JBIODEUBNPUHGZ-CABCVRRESA-N 1 0 306.454 3.284 10 0 DGAERO [NH3+]C[C@]12CCC[C@H]1CN(Cc1csc(Br)c1)C2 ZINC000310150891 434109008 /nfs/dbraw/zinc/10/90/08/434109008.db2.gz PAJZEJNJZLSGMG-AAEUAGOBSA-N 1 0 315.280 3.071 10 0 DGAERO Cc1cc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)on1 ZINC000310027230 434110153 /nfs/dbraw/zinc/11/01/53/434110153.db2.gz VXPLIKPTNTTWIM-GOSISDBHSA-N 1 0 313.445 3.375 10 0 DGAERO COC[C@H](C)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000311221794 434111138 /nfs/dbraw/zinc/11/11/38/434111138.db2.gz PNGOBRWIFKRGNK-LLVKDONJSA-N 1 0 316.239 3.172 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCOC1)CC2 ZINC000310735647 434113847 /nfs/dbraw/zinc/11/38/47/434113847.db2.gz YTPKRHHXXYTZKX-XHDPSFHLSA-N 1 0 310.235 3.453 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000491345912 293996690 /nfs/dbraw/zinc/99/66/90/293996690.db2.gz JXEOWHDYIKEVAK-OALUTQOASA-N 1 0 310.445 3.385 10 0 DGAERO Cc1sc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)nc1-c1ccc(C)cc1 ZINC000237794692 294077440 /nfs/dbraw/zinc/07/74/40/294077440.db2.gz FJGXZTUXQYWYSO-KGLIPLIRSA-N 1 0 315.442 3.493 10 0 DGAERO C[C@H](c1csnn1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000450351255 434123277 /nfs/dbraw/zinc/12/32/77/434123277.db2.gz UKXZARLDZHXLGN-HUUCEWRRSA-N 1 0 308.495 3.187 10 0 DGAERO Cn1cnc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000313267383 434125981 /nfs/dbraw/zinc/12/59/81/434125981.db2.gz SWZVNAKAVHGONL-UHFFFAOYSA-N 1 0 321.424 3.331 10 0 DGAERO CC[C@@H]1C[C@@]1(NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(C)c1 ZINC000507298500 294293694 /nfs/dbraw/zinc/29/36/94/294293694.db2.gz UPAWLGPIJZTTLK-AYBZRNKSSA-N 1 0 315.461 3.014 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000509444781 294352150 /nfs/dbraw/zinc/35/21/50/294352150.db2.gz VEYJAQCUFGATLA-INIZCTEOSA-N 1 0 313.397 3.187 10 0 DGAERO COc1cccc([C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)N(C)C)c1 ZINC000510730512 294390771 /nfs/dbraw/zinc/39/07/71/294390771.db2.gz CPCLBTFPGGGBGE-FHWLQOOXSA-N 1 0 302.462 3.466 10 0 DGAERO CC(C)CC[C@H](C)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000510949720 294397218 /nfs/dbraw/zinc/39/72/18/294397218.db2.gz WPUTTZIGPHQLHX-IRXDYDNUSA-N 1 0 318.461 3.081 10 0 DGAERO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510995345 294398286 /nfs/dbraw/zinc/39/82/86/294398286.db2.gz REDBULDLSNPGKF-NVXWUHKLSA-N 1 0 318.461 3.243 10 0 DGAERO c1ccc(N2CC[C@@H]([NH2+][C@@H]3CCc4ccccc4OC3)C2)cc1 ZINC000511018475 294399153 /nfs/dbraw/zinc/39/91/53/294399153.db2.gz QFLGJMPIUVVKTJ-QZTJIDSGSA-N 1 0 308.425 3.249 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CCCC2)c(OC)c1 ZINC000511038321 294399860 /nfs/dbraw/zinc/39/98/60/294399860.db2.gz PNMOULRHQHBPTJ-UKRRQHHQSA-N 1 0 307.434 3.296 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000286011127 434135012 /nfs/dbraw/zinc/13/50/12/434135012.db2.gz YYYRUXDOBQZBKV-DEANOFPJSA-N 1 0 316.420 3.314 10 0 DGAERO Cc1ccnc(C2CC[NH+](CCOc3ccccc3F)CC2)n1 ZINC000363774987 434138806 /nfs/dbraw/zinc/13/88/06/434138806.db2.gz GCRGRLSFSFDRHE-UHFFFAOYSA-N 1 0 315.392 3.183 10 0 DGAERO CCC[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccccn1 ZINC000357835225 434203451 /nfs/dbraw/zinc/20/34/51/434203451.db2.gz OSMRCSRWCFESFJ-SJLPKXTDSA-N 1 0 302.393 3.255 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000378512546 434208840 /nfs/dbraw/zinc/20/88/40/434208840.db2.gz BTZYGJBARYYXNT-CCEZHUSRSA-N 1 0 316.420 3.316 10 0 DGAERO C[C@@H]1CCOCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000378512115 434210631 /nfs/dbraw/zinc/21/06/31/434210631.db2.gz YYIWFQQIIDEZNV-GFCCVEGCSA-N 1 0 321.808 3.043 10 0 DGAERO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CCOCC(C)C)[NH+](C)C ZINC000357856921 434215769 /nfs/dbraw/zinc/21/57/69/434215769.db2.gz TZIJHFSDUBCPIN-VQIMIIECSA-N 1 0 320.477 3.165 10 0 DGAERO Cn1ccc([C@@H]([NH2+][C@H]2CC[C@H](O)CC2)c2ccc(Cl)cc2)n1 ZINC000514972194 294529942 /nfs/dbraw/zinc/52/99/42/294529942.db2.gz IVNZTXWIALLWJX-ZOBUZTSGSA-N 1 0 319.836 3.056 10 0 DGAERO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000380828370 434268087 /nfs/dbraw/zinc/26/80/87/434268087.db2.gz IOSNDZDCHZKCJO-AAEUAGOBSA-N 1 0 317.260 3.365 10 0 DGAERO c1nc(NCCCC2CCOCC2)cc(N2CCCCC2)n1 ZINC000450565411 434271184 /nfs/dbraw/zinc/27/11/84/434271184.db2.gz YZNSXVQKKDQGAV-UHFFFAOYSA-N 1 0 304.438 3.086 10 0 DGAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000384247712 434290235 /nfs/dbraw/zinc/29/02/35/434290235.db2.gz KWXIOMLJBIHSQJ-ZWNOBZJWSA-N 1 0 315.244 3.340 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@H](C)O1 ZINC000384736290 434294745 /nfs/dbraw/zinc/29/47/45/434294745.db2.gz KQBNOEUQWJXMQD-ZDMBXUJBSA-N 1 0 302.187 3.244 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)s1 ZINC000385809950 434303905 /nfs/dbraw/zinc/30/39/05/434303905.db2.gz QBKXQMSSZAHJAE-KOLCDFICSA-N 1 0 304.253 3.103 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)s1 ZINC000385809951 434305248 /nfs/dbraw/zinc/30/52/48/434305248.db2.gz QBKXQMSSZAHJAE-MWLCHTKSSA-N 1 0 304.253 3.103 10 0 DGAERO COC[C@@H](C)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390655876 434367871 /nfs/dbraw/zinc/36/78/71/434367871.db2.gz KSKKVFHLBKIXLX-WMZOPIPTSA-N 1 0 304.478 3.159 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000358191199 434378461 /nfs/dbraw/zinc/37/84/61/434378461.db2.gz OLTYQAYUYZUYBK-INIZCTEOSA-N 1 0 301.434 3.007 10 0 DGAERO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@H](O)C(F)(F)F ZINC000358213950 434386619 /nfs/dbraw/zinc/38/66/19/434386619.db2.gz CPBZBTKYSVIJHD-NEPJUHHUSA-N 1 0 323.742 3.375 10 0 DGAERO O=C(c1cc(O)c2ccccc2c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000366334246 434389792 /nfs/dbraw/zinc/38/97/92/434389792.db2.gz ZWMBDEGPNWEWTJ-QGZVFWFLSA-N 1 0 324.424 3.246 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](CNCc2ccsc2Br)C1 ZINC000388822828 434336962 /nfs/dbraw/zinc/33/69/62/434336962.db2.gz KVHOHRQKNDCSLT-LLVKDONJSA-N 1 0 317.296 3.331 10 0 DGAERO C[C@@]1(C[NH2+]Cc2ccn(Cc3ccccc3)n2)CCCS1 ZINC000389968421 434357684 /nfs/dbraw/zinc/35/76/84/434357684.db2.gz PYDJUIZPAWSOOJ-KRWDZBQOSA-N 1 0 301.459 3.307 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000450718127 434360210 /nfs/dbraw/zinc/36/02/10/434360210.db2.gz MWLHWHDSYYBFEF-MGPUTAFESA-N 1 0 311.425 3.137 10 0 DGAERO C[NH2+]Cc1ccccc1NC(=O)c1coc(Br)c1 ZINC000393479235 434394015 /nfs/dbraw/zinc/39/40/15/434394015.db2.gz JLDVVLNLWZFVOZ-UHFFFAOYSA-N 1 0 309.163 3.014 10 0 DGAERO Cn1cc(Br)c(C[NH2+]C2C3CC4CC(C3)CC2C4)n1 ZINC000393376906 434395716 /nfs/dbraw/zinc/39/57/16/434395716.db2.gz WODFVDBXGQAAJU-UHFFFAOYSA-N 1 0 324.266 3.097 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000450774200 434404148 /nfs/dbraw/zinc/40/41/48/434404148.db2.gz NQTKUBNCZHOJNW-PIGZYNQJSA-N 1 0 305.805 3.484 10 0 DGAERO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1c(F)cccc1Br ZINC000394740917 434406805 /nfs/dbraw/zinc/40/68/05/434406805.db2.gz IMXNUZSBEQERFY-ZANVPECISA-N 1 0 302.187 3.245 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000394910587 434406904 /nfs/dbraw/zinc/40/69/04/434406904.db2.gz CWZZLNHNRGTROK-WDEREUQCSA-N 1 0 316.214 3.229 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cs1 ZINC000438119751 434413837 /nfs/dbraw/zinc/41/38/37/434413837.db2.gz KJTUVNBPUXBCDN-UONOGXRCSA-N 1 0 317.458 3.387 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@H]1C ZINC000395161620 434415184 /nfs/dbraw/zinc/41/51/84/434415184.db2.gz NHYYKGXQIQJMBK-NRUUGDAUSA-N 1 0 311.223 3.022 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@H](C)O1 ZINC000395212031 434415284 /nfs/dbraw/zinc/41/52/84/434415284.db2.gz JLYQWEWSRLXVEL-ZDMBXUJBSA-N 1 0 302.187 3.244 10 0 DGAERO c1cnn(-c2ccc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)cc2)c1 ZINC000353770347 434421293 /nfs/dbraw/zinc/42/12/93/434421293.db2.gz UASYQIHEFPSJCJ-LJQANCHMSA-N 1 0 311.429 3.265 10 0 DGAERO Cc1csc([C@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)n1 ZINC000396415174 434424068 /nfs/dbraw/zinc/42/40/68/434424068.db2.gz JUIXWRSDTHNJEV-BMQDGWLCSA-N 1 0 308.369 3.338 10 0 DGAERO c1ccc(OCCCC[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000438194974 434432652 /nfs/dbraw/zinc/43/26/52/434432652.db2.gz YFBUUNBOSZXJOF-AEFFLSMTSA-N 1 0 321.486 3.490 10 0 DGAERO Cc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398769956 434466402 /nfs/dbraw/zinc/46/64/02/434466402.db2.gz GNNFBIRKGTWZDO-NOLJZWGESA-N 1 0 324.262 3.350 10 0 DGAERO COc1ccc(F)c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000521161623 294859579 /nfs/dbraw/zinc/85/95/79/294859579.db2.gz KMHMIWKBBCWONZ-HNNXBMFYSA-N 1 0 321.440 3.322 10 0 DGAERO Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447738 434486584 /nfs/dbraw/zinc/48/65/84/434486584.db2.gz QAIXDXGJPZINCR-SMDDNHRTSA-N 1 0 323.437 3.027 10 0 DGAERO C[C@@H]([NH2+]CCOC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400803910 434491208 /nfs/dbraw/zinc/49/12/08/434491208.db2.gz VLDPKHXDUVBICM-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO COc1ccc(C[N@H+](CC[C@@H](C)O)[C@H](C)C2CC2)c(OC)c1 ZINC000450932804 434492406 /nfs/dbraw/zinc/49/24/06/434492406.db2.gz CQAFCFSLVXDZPN-ZIAGYGMSSA-N 1 0 307.434 3.075 10 0 DGAERO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCn3ncnc32)C1 ZINC000329851493 434492659 /nfs/dbraw/zinc/49/26/59/434492659.db2.gz TUPDYOYDLMLGOA-BZUAXINKSA-N 1 0 311.433 3.132 10 0 DGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)cc1Cl ZINC000401643169 434497562 /nfs/dbraw/zinc/49/75/62/434497562.db2.gz BEDXARKBXGJHFX-CYBMUJFWSA-N 1 0 313.228 3.398 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(C)C)C2)cc1 ZINC000438505971 434499395 /nfs/dbraw/zinc/49/93/95/434499395.db2.gz RGHDTSVKOQGUHV-CZUORRHYSA-N 1 0 302.418 3.194 10 0 DGAERO Cn1ccnc1[C@@H]1CCCN1C(=O)c1cnc2ccc(F)cc2c1 ZINC000366765179 434503532 /nfs/dbraw/zinc/50/35/32/434503532.db2.gz BONZNAWSEITYEV-INIZCTEOSA-N 1 0 324.359 3.085 10 0 DGAERO C[C@]1(C[NH2+]C[C@@H]2CCCOC2)CCCN1Cc1ccccc1 ZINC000398016092 434452212 /nfs/dbraw/zinc/45/22/12/434452212.db2.gz QINFTNYRDVVOKH-RBUKOAKNSA-N 1 0 302.462 3.057 10 0 DGAERO C[C@]1(CNC(=O)NC2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398105635 434453302 /nfs/dbraw/zinc/45/33/02/434453302.db2.gz OWCLCAYYYZVPBX-LJQANCHMSA-N 1 0 315.461 3.283 10 0 DGAERO CCCCNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398126300 434454211 /nfs/dbraw/zinc/45/42/11/434454211.db2.gz YYYPLIBFDPOEFJ-GOSISDBHSA-N 1 0 303.450 3.140 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287823254 434458215 /nfs/dbraw/zinc/45/82/15/434458215.db2.gz VIHTXLXKEBBKRV-YUELXQCFSA-N 1 0 317.351 3.291 10 0 DGAERO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000404190500 434506239 /nfs/dbraw/zinc/50/62/39/434506239.db2.gz IXCYAPFGIIBAMS-YGRLFVJLSA-N 1 0 304.217 3.186 10 0 DGAERO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Cl)sc1Cl ZINC000404159993 434508773 /nfs/dbraw/zinc/50/87/73/434508773.db2.gz AZDBWDRHMPZEJJ-QPUJVOFHSA-N 1 0 310.246 3.247 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCc2cc(Cl)ccc2C1 ZINC000360093559 434516719 /nfs/dbraw/zinc/51/67/19/434516719.db2.gz MVYTYJAPBLNVCD-INIZCTEOSA-N 1 0 306.837 3.099 10 0 DGAERO Clc1cccc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c1Cl ZINC000404629446 434518768 /nfs/dbraw/zinc/51/87/68/434518768.db2.gz URABCYVNLWEBEU-SNVBAGLBSA-N 1 0 311.216 3.100 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCSC[C@@H]2CCO)c1C ZINC000438647840 434520891 /nfs/dbraw/zinc/52/08/91/434520891.db2.gz PBXKTQVDJURDCM-INIZCTEOSA-N 1 0 321.486 3.114 10 0 DGAERO C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000523444270 294947828 /nfs/dbraw/zinc/94/78/28/294947828.db2.gz RCYAJULNXBTTON-IRXDYDNUSA-N 1 0 324.509 3.305 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407250674 434528719 /nfs/dbraw/zinc/52/87/19/434528719.db2.gz FCDOAMFTRWNHOH-ZIAGYGMSSA-N 1 0 323.234 3.227 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407248271 434529410 /nfs/dbraw/zinc/52/94/10/434529410.db2.gz CZYPGXHNKWWWEM-KBPBESRZSA-N 1 0 323.234 3.227 10 0 DGAERO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3C[C@@H](O)C(C)(C)C)nc2c1 ZINC000451018571 434536395 /nfs/dbraw/zinc/53/63/95/434536395.db2.gz PTWQTKGOQLALDF-HZPDHXFCSA-N 1 0 301.434 3.415 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000525867206 295039159 /nfs/dbraw/zinc/03/91/59/295039159.db2.gz RWPUBMJKFCPOQP-UHFFFAOYSA-N 1 0 319.445 3.117 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C1(Cc2ccccc2Cl)CC1 ZINC000525891842 295041091 /nfs/dbraw/zinc/04/10/91/295041091.db2.gz MGFZRRPVEZWTOE-UHFFFAOYSA-N 1 0 308.853 3.073 10 0 DGAERO c1ccc([C@@H]2CC[C@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)cc1 ZINC000527109777 295078594 /nfs/dbraw/zinc/07/85/94/295078594.db2.gz MSQBQFRKZNBIDT-SJORKVTESA-N 1 0 319.412 3.088 10 0 DGAERO Brc1c[nH]nc1C[NH2+]CCCCOc1ccccc1 ZINC000527360944 295094386 /nfs/dbraw/zinc/09/43/86/295094386.db2.gz BSHKSEXQUVBVDY-UHFFFAOYSA-N 1 0 324.222 3.121 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@@H]1CCCO1 ZINC000527637045 295107743 /nfs/dbraw/zinc/10/77/43/295107743.db2.gz HEXORPTYUTZAAS-KWQFWETISA-N 1 0 320.177 3.384 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527699027 295117312 /nfs/dbraw/zinc/11/73/12/295117312.db2.gz FNQLRDPXFCBUOQ-KWQFWETISA-N 1 0 320.177 3.242 10 0 DGAERO c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527734891 295122480 /nfs/dbraw/zinc/12/24/80/295122480.db2.gz AIHJMDOJOMQEIM-IEBWSBKVSA-N 1 0 319.445 3.151 10 0 DGAERO c1cn2c(C[NH2+]CC[C@@H]3CCCOC3)c(C3CC3)nc2s1 ZINC000527735064 295122518 /nfs/dbraw/zinc/12/25/18/295122518.db2.gz BHTRJMSBZXGIMZ-LBPRGKRZSA-N 1 0 305.447 3.180 10 0 DGAERO c1cc2c(cc1C[NH2+]CC[C@@H]1CCCOC1)OCCCCO2 ZINC000527739143 295123272 /nfs/dbraw/zinc/12/32/72/295123272.db2.gz NYSYFBKMPBKDRV-HNNXBMFYSA-N 1 0 305.418 3.144 10 0 DGAERO c1ccc([C@@H]([NH2+]Cc2cnc(N3CCCC3)nc2)C2CCC2)nc1 ZINC000527770810 295127817 /nfs/dbraw/zinc/12/78/17/295127817.db2.gz GVXAJPSVZTZTOC-SFHVURJKSA-N 1 0 323.444 3.103 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000527800978 295132423 /nfs/dbraw/zinc/13/24/23/295132423.db2.gz GHJZLKBTOAIFIA-SREGZZRCSA-N 1 0 304.253 3.412 10 0 DGAERO c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527808042 295134526 /nfs/dbraw/zinc/13/45/26/295134526.db2.gz PIPBIWFDGQXRIG-NVXWUHKLSA-N 1 0 300.446 3.159 10 0 DGAERO Brc1ccc([C@H]([NH2+]CC2COC2)C2CC2)s1 ZINC000528023402 295168424 /nfs/dbraw/zinc/16/84/24/295168424.db2.gz CHZVHGDUVFHMEJ-GFCCVEGCSA-N 1 0 302.237 3.198 10 0 DGAERO C[N@@H+](Cc1ccc(Br)c(F)c1F)C[C@@H]1CCOC1 ZINC000528400420 295209078 /nfs/dbraw/zinc/20/90/78/295209078.db2.gz XNTPBLFECSNOIE-VIFPVBQESA-N 1 0 320.177 3.196 10 0 DGAERO CCn1nncc1C[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000459388150 434575224 /nfs/dbraw/zinc/57/52/24/434575224.db2.gz OAKXOZJHGMFIIB-INIZCTEOSA-N 1 0 302.422 3.184 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](C3CC3)C1)CCCO2 ZINC000248763353 295275818 /nfs/dbraw/zinc/27/58/18/295275818.db2.gz GTPBYYPXSXIBKA-LSBZLQRGSA-N 1 0 317.429 3.456 10 0 DGAERO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000131677821 295278892 /nfs/dbraw/zinc/27/88/92/295278892.db2.gz RJPADRGRMVIDIB-MSOLQXFVSA-N 1 0 310.397 3.252 10 0 DGAERO C=Cn1cc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)cn1 ZINC000418094863 434586664 /nfs/dbraw/zinc/58/66/64/434586664.db2.gz KYHSCRXXMQOBEW-MRXNPFEDSA-N 1 0 303.356 3.469 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]CC1(C)OCCCO1)C(C)C ZINC000190641631 295365643 /nfs/dbraw/zinc/36/56/43/295365643.db2.gz VEINROICKWKARJ-INIZCTEOSA-N 1 0 307.434 3.005 10 0 DGAERO c1ccc(COc2ccccc2C[NH+]2CC3(C2)CCCOC3)nc1 ZINC000459602943 434626999 /nfs/dbraw/zinc/62/69/99/434626999.db2.gz GOVWSIHBSKHDBC-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO COc1cc(C)cc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1C ZINC000459542938 434600941 /nfs/dbraw/zinc/60/09/41/434600941.db2.gz OTWKOHFLSOEODQ-OAHLLOKOSA-N 1 0 319.449 3.165 10 0 DGAERO COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000360438808 434605739 /nfs/dbraw/zinc/60/57/39/434605739.db2.gz ZZEYWTAJAKUASQ-FUHWJXTLSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1COCC1(C)C ZINC000459567471 434611321 /nfs/dbraw/zinc/61/13/21/434611321.db2.gz IMCZASBWUKGBLM-AWEZNQCLSA-N 1 0 305.447 3.096 10 0 DGAERO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(I)cc1 ZINC000424326791 434695941 /nfs/dbraw/zinc/69/59/41/434695941.db2.gz PCBDHGBBQOFDDQ-SKDRFNHKSA-N 1 0 313.182 3.494 10 0 DGAERO O[C@H](CC[NH2+]Cc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000349275701 434658123 /nfs/dbraw/zinc/65/81/23/434658123.db2.gz IFMOPFVLZUAJJU-SNVBAGLBSA-N 1 0 301.230 3.108 10 0 DGAERO COc1ccc([C@H](CO)C[NH2+][C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000459728248 434678736 /nfs/dbraw/zinc/67/87/36/434678736.db2.gz GDEQAWDCQFCVCO-UHOSZYNNSA-N 1 0 303.446 3.330 10 0 DGAERO C/C(=C\c1ccccc1)C[N@H+]1CCCN(Cc2nccn2C)CC1 ZINC000371377639 434681112 /nfs/dbraw/zinc/68/11/12/434681112.db2.gz DSLGYZRYRLMWSD-OBGWFSINSA-N 1 0 324.472 3.031 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000452719384 434690133 /nfs/dbraw/zinc/69/01/33/434690133.db2.gz BOTCVALSSXDSKD-MRXNPFEDSA-N 1 0 324.827 3.238 10 0 DGAERO CC[C@H]1CCCC[C@H]1N(C)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000460214521 434747994 /nfs/dbraw/zinc/74/79/94/434747994.db2.gz LBBOHSOWFXFXPY-DLBZAZTESA-N 1 0 307.482 3.249 10 0 DGAERO CCOc1cccc(CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000440624246 434725144 /nfs/dbraw/zinc/72/51/44/434725144.db2.gz YLCFXAGGAGRAGS-UHFFFAOYSA-N 1 0 313.323 3.160 10 0 DGAERO CC[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](C)OC ZINC000361019387 434766509 /nfs/dbraw/zinc/76/65/09/434766509.db2.gz ZHBOGXFYGUISQB-SNVBAGLBSA-N 1 0 304.203 3.445 10 0 DGAERO c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000441815081 434767253 /nfs/dbraw/zinc/76/72/53/434767253.db2.gz QAFIOPOQCZMNQF-QUCCMNQESA-N 1 0 314.473 3.251 10 0 DGAERO C[NH+]1CCC(CC(=O)N2CCC[C@H]2CCc2ccccc2)CC1 ZINC000371817914 434757614 /nfs/dbraw/zinc/75/76/14/434757614.db2.gz YFLNJLXONHMXNL-IBGZPJMESA-N 1 0 314.473 3.342 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+]CCOCC2CCC2)cc1OC ZINC000361039982 434774426 /nfs/dbraw/zinc/77/44/26/434774426.db2.gz GEXFPSBCGACWRJ-AWEZNQCLSA-N 1 0 307.434 3.480 10 0 DGAERO c1cc(C[NH+]2CCCCC2)ccc1CN1CCO[C@@H](C2CC2)C1 ZINC000411564626 434800289 /nfs/dbraw/zinc/80/02/89/434800289.db2.gz TTZXEYXDEOFMHF-HXUWFJFHSA-N 1 0 314.473 3.283 10 0 DGAERO COC1([C@H](C)[NH2+]CC(C)(C)c2cccc(F)c2)CCOCC1 ZINC000453109118 434803423 /nfs/dbraw/zinc/80/34/23/434803423.db2.gz MCTIAQCUINSHGT-AWEZNQCLSA-N 1 0 309.425 3.277 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCCC1CCOCC1)CC2 ZINC000372140247 434804082 /nfs/dbraw/zinc/80/40/82/434804082.db2.gz LYQCDZURYOCJAZ-UHFFFAOYSA-N 1 0 315.457 3.497 10 0 DGAERO COC1([C@H](C)[NH2+]CCCSc2ccccc2)CCOCC1 ZINC000453075194 434793259 /nfs/dbraw/zinc/79/32/59/434793259.db2.gz GYUGSOFTNYJVPG-HNNXBMFYSA-N 1 0 309.475 3.343 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2ccccc2OCC(C)C)CCOCC1 ZINC000453073263 434793729 /nfs/dbraw/zinc/79/37/29/434793729.db2.gz SZKFBMWXQZVSHN-INIZCTEOSA-N 1 0 321.461 3.395 10 0 DGAERO CCCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000446438515 434862076 /nfs/dbraw/zinc/86/20/76/434862076.db2.gz KENPYYPXJWAXTM-UHFFFAOYSA-N 1 0 314.429 3.436 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2Cc3ccccc3[C@@H]2C)C1 ZINC000361131265 434805978 /nfs/dbraw/zinc/80/59/78/434805978.db2.gz IMDMWQYWHACQHO-KEYYUXOJSA-N 1 0 301.434 3.002 10 0 DGAERO CCCOc1cccc(CC[NH2+][C@H](C)C2(OC)CCOCC2)c1 ZINC000453160047 434819364 /nfs/dbraw/zinc/81/93/64/434819364.db2.gz MRWYWJGPXDVIIY-MRXNPFEDSA-N 1 0 321.461 3.192 10 0 DGAERO Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1 ZINC000412054960 434863239 /nfs/dbraw/zinc/86/32/39/434863239.db2.gz JYWGMUDMCYRRAK-MRXNPFEDSA-N 1 0 304.409 3.111 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2cccc(CSC)c2)CCOCC1 ZINC000453217112 434831239 /nfs/dbraw/zinc/83/12/39/434831239.db2.gz JPCVIZZOMHMTPQ-AWEZNQCLSA-N 1 0 309.475 3.223 10 0 DGAERO c1ccc2c(c1)CC[C@H](C[NH+]1CCC(c3ccncn3)CC1)C2 ZINC000411830691 434831866 /nfs/dbraw/zinc/83/18/66/434831866.db2.gz YYKRAAHEIVXKRP-INIZCTEOSA-N 1 0 307.441 3.461 10 0 DGAERO CC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000361239706 434838185 /nfs/dbraw/zinc/83/81/85/434838185.db2.gz XHROUTLYFKIADH-HNNXBMFYSA-N 1 0 305.809 3.341 10 0 DGAERO c1c(C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)nc2ncccn12 ZINC000411981207 434851117 /nfs/dbraw/zinc/85/11/17/434851117.db2.gz JXNYMNKHRDKBMY-GOSISDBHSA-N 1 0 318.424 3.499 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)CC2CCCC2)c2ccccc21 ZINC000573111241 434876130 /nfs/dbraw/zinc/87/61/30/434876130.db2.gz OQNFXLSEHCRSND-FUHWJXTLSA-N 1 0 316.445 3.015 10 0 DGAERO CC[C@@H]([NH2+]Cc1nc(-c2ccc(C)cc2)no1)C1CCOCC1 ZINC000553284445 434885951 /nfs/dbraw/zinc/88/59/51/434885951.db2.gz UXCRCVLEURKYFY-MRXNPFEDSA-N 1 0 315.417 3.340 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCCCC2)C1(CC)CC ZINC000553439269 434889829 /nfs/dbraw/zinc/88/98/29/434889829.db2.gz VHSIALNNCZTUIY-CVEARBPZSA-N 1 0 310.482 3.009 10 0 DGAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000462000551 434896072 /nfs/dbraw/zinc/89/60/72/434896072.db2.gz DKZPGFALWAXSPY-OWCLPIDISA-N 1 0 321.465 3.491 10 0 DGAERO COC[C@@H](O)C[NH2+][C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000554180079 434917841 /nfs/dbraw/zinc/91/78/41/434917841.db2.gz RSQVYAJFOBVARV-LPHOPBHVSA-N 1 0 311.381 3.119 10 0 DGAERO O[C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3CC[C@H]3C3CCC3)c2)C1 ZINC000462878342 434935001 /nfs/dbraw/zinc/93/50/01/434935001.db2.gz RDAWBCNRGLOCDA-CEXWTWQISA-N 1 0 300.446 3.244 10 0 DGAERO O=C(NCCCC1CC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000522906416 434935152 /nfs/dbraw/zinc/93/51/52/434935152.db2.gz RKXQHXQONMRVJN-SFHVURJKSA-N 1 0 315.461 3.140 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1(CCO)CCN(C)CC1 ZINC000573981081 434939585 /nfs/dbraw/zinc/93/95/85/434939585.db2.gz IQVDPNRYVBWGGX-FYWRMAATSA-N 1 0 322.880 3.180 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000523451486 434950389 /nfs/dbraw/zinc/95/03/89/434950389.db2.gz GCNDBEMVOCKDQX-MRXNPFEDSA-N 1 0 317.477 3.272 10 0 DGAERO Cc1ccc(C[NH2+]CCOCC2CCC2)c(-c2ccnn2C)c1 ZINC000554917798 434953224 /nfs/dbraw/zinc/95/32/24/434953224.db2.gz NRFCIWJRAMWRDX-UHFFFAOYSA-N 1 0 313.445 3.302 10 0 DGAERO Cc1nc(CNC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[nH]c1C ZINC000574414810 434976265 /nfs/dbraw/zinc/97/62/65/434976265.db2.gz WKRZCWAZMVOZCP-SFHVURJKSA-N 1 0 312.461 3.171 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000462798647 434929298 /nfs/dbraw/zinc/92/92/98/434929298.db2.gz RVJQDQTUCOJLLO-WBVHZDCISA-N 1 0 319.445 3.283 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000462798646 434930121 /nfs/dbraw/zinc/93/01/21/434930121.db2.gz RVJQDQTUCOJLLO-RDJZCZTQSA-N 1 0 319.445 3.283 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC2(O)CCCC2)cc1 ZINC000462795287 434930246 /nfs/dbraw/zinc/93/02/46/434930246.db2.gz QVMUTWQHXVWCLU-UHFFFAOYSA-N 1 0 305.418 3.037 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000462811501 434931376 /nfs/dbraw/zinc/93/13/76/434931376.db2.gz XAYKHNBFTQXWSD-IRXDYDNUSA-N 1 0 307.434 3.386 10 0 DGAERO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000525122934 435005630 /nfs/dbraw/zinc/00/56/30/435005630.db2.gz RBIOICJJWRZJAW-KRWDZBQOSA-N 1 0 314.473 3.390 10 0 DGAERO CC[C@H](O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000556514802 435009760 /nfs/dbraw/zinc/00/97/60/435009760.db2.gz KPQJLERNXGGTAW-KRWDZBQOSA-N 1 0 301.455 3.488 10 0 DGAERO CC[N@H+](C)[C@H](C(=O)N1C[C@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000530931472 435061528 /nfs/dbraw/zinc/06/15/28/435061528.db2.gz KMUIZSHFYBUHAD-KURKYZTESA-N 1 0 300.446 3.328 10 0 DGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1snc(OC)c1Br ZINC000638698239 435072791 /nfs/dbraw/zinc/07/27/91/435072791.db2.gz PAVMBHJDBNTBRI-HTQZYQBOSA-N 1 0 305.241 3.192 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000465709401 435040558 /nfs/dbraw/zinc/04/05/58/435040558.db2.gz CUMOSZLTTLTWCP-RDJZCZTQSA-N 1 0 309.498 3.234 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000558484676 435093996 /nfs/dbraw/zinc/09/39/96/435093996.db2.gz DURMTJMFTCFYAM-INIZCTEOSA-N 1 0 302.462 3.198 10 0 DGAERO CC(=O)N1CCC([NH2+]C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000474474342 435149310 /nfs/dbraw/zinc/14/93/10/435149310.db2.gz LTZUBUSIIJJNSG-GOSISDBHSA-N 1 0 302.462 3.417 10 0 DGAERO COc1ccccc1/C=C\C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000466894979 435097960 /nfs/dbraw/zinc/09/79/60/435097960.db2.gz DCYJWQDWUHAXIW-FUKWUPMWSA-N 1 0 311.425 3.210 10 0 DGAERO CCOc1cc2[nH+]ccc(N[C@@H](C)[C@@H](C)OC)c2cc1OCC ZINC000467009138 435104735 /nfs/dbraw/zinc/10/47/35/435104735.db2.gz JYNCCXJVJUKSDK-QWHCGFSZSA-N 1 0 318.417 3.289 10 0 DGAERO CC(C)N(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C)C1CCCC1 ZINC000470930512 435137074 /nfs/dbraw/zinc/13/70/74/435137074.db2.gz IXGGXLMFSCRTSB-OCCSQVGLSA-N 1 0 320.399 3.439 10 0 DGAERO COc1c(C)cnc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C ZINC000470958439 435137428 /nfs/dbraw/zinc/13/74/28/435137428.db2.gz HMOUQRDRYFDLNS-VXGBXAGGSA-N 1 0 302.340 3.480 10 0 DGAERO C[C@H]([NH2+]CCc1ccccc1Br)C1CCOCC1 ZINC000474628254 435153851 /nfs/dbraw/zinc/15/38/51/435153851.db2.gz HNKJMYRGRHYOPR-LBPRGKRZSA-N 1 0 312.251 3.396 10 0 DGAERO COc1ccc([C@H](C)[C@H](C)[NH2+]CCc2cccc(OC)n2)cc1 ZINC000474802632 435162587 /nfs/dbraw/zinc/16/25/87/435162587.db2.gz RXRRMOVCWFWOAO-CABCVRRESA-N 1 0 314.429 3.423 10 0 DGAERO C[C@H]1C[C@@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533640232 435250550 /nfs/dbraw/zinc/25/05/50/435250550.db2.gz QNHAEIUPOSLZKI-VHSXEESVSA-N 1 0 311.216 3.320 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000496818089 435257746 /nfs/dbraw/zinc/25/77/46/435257746.db2.gz SQTMAXOECCCDRQ-NSHDSACASA-N 1 0 304.381 3.021 10 0 DGAERO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000299752670 298364167 /nfs/dbraw/zinc/36/41/67/298364167.db2.gz UXUAGWMUQMFXAR-FHLIZLRMSA-N 1 0 304.434 3.097 10 0 DGAERO CN(CC1CC1)C(=O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000477630370 435276061 /nfs/dbraw/zinc/27/60/61/435276061.db2.gz ITPRHWJMOZXPCL-UHFFFAOYSA-N 1 0 300.446 3.304 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCNC(=O)C(C)C ZINC000534451850 435290224 /nfs/dbraw/zinc/29/02/24/435290224.db2.gz KOYWASKEGBUUFK-KAMYIIQDSA-N 1 0 308.853 3.495 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478233863 435292878 /nfs/dbraw/zinc/29/28/78/435292878.db2.gz OMOYQKCQFJVUMU-KBAYOESNSA-N 1 0 318.436 3.452 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000478394118 435298370 /nfs/dbraw/zinc/29/83/70/435298370.db2.gz QIMHCCKBEVWAKH-SFHVURJKSA-N 1 0 324.468 3.456 10 0 DGAERO C[C@H](CCn1cccn1)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000158707068 298470908 /nfs/dbraw/zinc/47/09/08/298470908.db2.gz WKLXFLVEZFWCCX-APWZRJJASA-N 1 0 306.413 3.436 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@H+](CCOCCC(C)C)CC2 ZINC000535210348 435324196 /nfs/dbraw/zinc/32/41/96/435324196.db2.gz GOAYZYJIUKEUTR-UHFFFAOYSA-N 1 0 303.446 3.353 10 0 DGAERO c1ccc(-c2nnc([C@H]3CCC[N@H+]3C[C@@H]3CCCOC3)[nH]2)cc1 ZINC000535764841 435347802 /nfs/dbraw/zinc/34/78/02/435347802.db2.gz JQOQRXYEPZZIFX-GOEBONIOSA-N 1 0 312.417 3.035 10 0 DGAERO Cc1ncsc1C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000535850014 435358837 /nfs/dbraw/zinc/35/88/37/435358837.db2.gz CPKDCDAJPYKADP-CYBMUJFWSA-N 1 0 310.463 3.395 10 0 DGAERO C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC000644051611 435400073 /nfs/dbraw/zinc/40/00/73/435400073.db2.gz GIIXXYXOCRLCSE-UFBFGSQYSA-N 1 0 301.217 3.169 10 0 DGAERO C[C@H](CCC1CCCC1)[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000536845824 435413234 /nfs/dbraw/zinc/41/32/34/435413234.db2.gz MSWVDTAMGCQWQG-CQSZACIVSA-N 1 0 321.486 3.465 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)C1CCC(F)(F)CC1)C1CCCCC1 ZINC000536170479 435371642 /nfs/dbraw/zinc/37/16/42/435371642.db2.gz VZGXBPSQTXHALN-HNNXBMFYSA-N 1 0 316.436 3.439 10 0 DGAERO c1ccc(C[N@@H+]2CCCN(c3ncnc4ccccc43)CC2)cc1 ZINC000514880183 435446252 /nfs/dbraw/zinc/44/62/52/435446252.db2.gz LJLOSHRCWKHYHH-UHFFFAOYSA-N 1 0 318.424 3.342 10 0 DGAERO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Cl)cc(Cl)c1 ZINC000482432979 435465503 /nfs/dbraw/zinc/46/55/03/435465503.db2.gz CMSWLBAYZXQIQE-NEPJUHHUSA-N 1 0 317.260 3.365 10 0 DGAERO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC2CC2)c(OC)c1 ZINC000537970335 435478820 /nfs/dbraw/zinc/47/88/20/435478820.db2.gz QFPIQIPBRJLIHV-ZDUSSCGKSA-N 1 0 320.433 3.201 10 0 DGAERO CC(C)c1cc(C(=O)N(C)CCC[NH+](C)C)c2ccccc2n1 ZINC000537214938 435431262 /nfs/dbraw/zinc/43/12/62/435431262.db2.gz FWSAARZWWFTEEH-UHFFFAOYSA-N 1 0 313.445 3.382 10 0 DGAERO COC[C@H]([NH2+]CCc1ccccc1Br)C(C)C ZINC000481711125 435438307 /nfs/dbraw/zinc/43/83/07/435438307.db2.gz DKMAVPNMNKQZPW-AWEZNQCLSA-N 1 0 300.240 3.252 10 0 DGAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000568458996 435438859 /nfs/dbraw/zinc/43/88/59/435438859.db2.gz WAWLHTNAIOKEQG-INWMFGNUSA-N 1 0 324.415 3.305 10 0 DGAERO c1csc(-c2n[nH]cc2C[NH+]2CCC(c3c[nH]cn3)CC2)c1 ZINC000538726237 435518407 /nfs/dbraw/zinc/51/84/07/435518407.db2.gz GGABYHLKTXXLSC-UHFFFAOYSA-N 1 0 313.430 3.241 10 0 DGAERO Cc1ccccc1OCCC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000483189014 435500684 /nfs/dbraw/zinc/50/06/84/435500684.db2.gz AXRRUYLVYMWRCF-IBGZPJMESA-N 1 0 319.445 3.034 10 0 DGAERO CC1(C)C[N@H+](CCCCc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000483185546 435501513 /nfs/dbraw/zinc/50/15/13/435501513.db2.gz RTRTXPTZYYDUMH-LJQANCHMSA-N 1 0 303.446 3.279 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC000539406260 435551562 /nfs/dbraw/zinc/55/15/62/435551562.db2.gz IIEWHALMGQDMKW-INIZCTEOSA-N 1 0 305.418 3.106 10 0 DGAERO COCc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)o1 ZINC000539929195 435580411 /nfs/dbraw/zinc/58/04/11/435580411.db2.gz NTLPNXXZWJWZKE-CQSZACIVSA-N 1 0 323.433 3.370 10 0 DGAERO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000540162665 435591007 /nfs/dbraw/zinc/59/10/07/435591007.db2.gz CHAQSQWHDKRNJW-UONOGXRCSA-N 1 0 302.409 3.335 10 0 DGAERO c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000540163459 435591037 /nfs/dbraw/zinc/59/10/37/435591037.db2.gz FYLAETFSDZLXSY-CEXWTWQISA-N 1 0 301.430 3.456 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2cc(C)ccc2OC)n1 ZINC000484279450 435541510 /nfs/dbraw/zinc/54/15/10/435541510.db2.gz VUSQRTOBLUMVIB-AWEZNQCLSA-N 1 0 300.402 3.301 10 0 DGAERO CCNC(=O)[C@H](C)[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000540822090 435618917 /nfs/dbraw/zinc/61/89/17/435618917.db2.gz OQNIYOOOMFGQBG-YJBOKZPZSA-N 1 0 302.462 3.292 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(CC)cc2)C(C)C)C1 ZINC000540316385 435596167 /nfs/dbraw/zinc/59/61/67/435596167.db2.gz UADMCIAQMPHFEP-ROUUACIJSA-N 1 0 317.477 3.340 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000540515850 435605057 /nfs/dbraw/zinc/60/50/57/435605057.db2.gz OVQUVWHYAVPMRA-CQSZACIVSA-N 1 0 316.367 3.133 10 0 DGAERO O=C(N[C@H]1CCCC(F)(F)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000488984885 435645693 /nfs/dbraw/zinc/64/56/93/435645693.db2.gz QLCRGEMYASXZMX-HOTGVXAUSA-N 1 0 322.399 3.345 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1cccc2ccccc21 ZINC000518574611 435647497 /nfs/dbraw/zinc/64/74/97/435647497.db2.gz WXKGUCOTOLADNO-LJQANCHMSA-N 1 0 310.441 3.373 10 0 DGAERO Cc1ccc(-c2noc(CN3C[C@@H](C)O[C@@H](C4CC4)C3)n2)cc1 ZINC000518858459 435657114 /nfs/dbraw/zinc/65/71/14/435657114.db2.gz HBZJNCJIGGDBTC-CZUORRHYSA-N 1 0 313.401 3.044 10 0 DGAERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C/C=C\c2ccccc2)cn1 ZINC000548020877 435661083 /nfs/dbraw/zinc/66/10/83/435661083.db2.gz HRHUQBJIEQJSLH-WDVNOTDGSA-N 1 0 311.429 3.426 10 0 DGAERO CC(C)(C)OC(=O)C[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000548066586 435664463 /nfs/dbraw/zinc/66/44/63/435664463.db2.gz DAHLIYSCWWHPFX-KRWDZBQOSA-N 1 0 324.509 3.306 10 0 DGAERO O[C@H](C[NH2+][C@@H]1C[C@H]1C1CC1)COc1cc(Cl)ccc1Cl ZINC000570955742 435664896 /nfs/dbraw/zinc/66/48/96/435664896.db2.gz XLDNRSHAJSYZFE-MBNYWOFBSA-N 1 0 316.228 3.121 10 0 DGAERO c1ccc(-c2nnc(CN3CCOC[C@H]3CC3CCC3)o2)cc1 ZINC000571228589 435688000 /nfs/dbraw/zinc/68/80/00/435688000.db2.gz CEPWZZSMIMFOFA-MRXNPFEDSA-N 1 0 313.401 3.128 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1ccc(S(C)(=O)=O)cc1 ZINC000655701023 435735101 /nfs/dbraw/zinc/73/51/01/435735101.db2.gz OWJQTYKNUOMXHI-YRGRVCCFSA-N 1 0 313.488 3.025 10 0 DGAERO CC1(C)C[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491238729 435719878 /nfs/dbraw/zinc/71/98/78/435719878.db2.gz HVVXTVNDWWPYGN-IRXDYDNUSA-N 1 0 321.509 3.330 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCCN1CCC1 ZINC000572617290 435846327 /nfs/dbraw/zinc/84/63/27/435846327.db2.gz YTBZWQAUHIBFTQ-OWBHPGMISA-N 1 0 310.388 3.377 10 0 DGAERO C[NH+](C)CCCCC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000552548525 435906234 /nfs/dbraw/zinc/90/62/34/435906234.db2.gz WNSAQMMPTJCNAV-UHFFFAOYSA-N 1 0 318.339 3.298 10 0 DGAERO Brc1cncc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656608842 435983955 /nfs/dbraw/zinc/98/39/55/435983955.db2.gz NIBAKGFFXOFPLC-CYBMUJFWSA-N 1 0 324.266 3.060 10 0 DGAERO Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCCO2 ZINC000126717372 301285676 /nfs/dbraw/zinc/28/56/76/301285676.db2.gz MBZPSXODSCFNFT-IUODEOHRSA-N 1 0 322.836 3.073 10 0 DGAERO C[C@]1(C(=O)NCc2ccc(Cl)c(Cl)c2)CCCC[NH2+]1 ZINC000662664644 436376846 /nfs/dbraw/zinc/37/68/46/436376846.db2.gz UWQIFLRCABTOHW-CQSZACIVSA-N 1 0 301.217 3.142 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(F)c(Br)c1F ZINC000662918994 436400871 /nfs/dbraw/zinc/40/08/71/436400871.db2.gz LRCYAXLFGGLZBM-UPONEAKYSA-N 1 0 321.165 3.039 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000658246396 436409437 /nfs/dbraw/zinc/40/94/37/436409437.db2.gz YXRAOSUGZWWDLN-UWVGGRQHSA-N 1 0 301.217 3.122 10 0 DGAERO CCS(=O)(=O)C1(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000658301104 436423130 /nfs/dbraw/zinc/42/31/30/436423130.db2.gz WNBRGCANWRGTKL-KBPBESRZSA-N 1 0 301.496 3.148 10 0 DGAERO Cc1cccc(C2(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CCCC2)c1 ZINC000237932178 301981568 /nfs/dbraw/zinc/98/15/68/301981568.db2.gz DGLANIKKUQQOOK-NVXWUHKLSA-N 1 0 300.446 3.398 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175475255 302177969 /nfs/dbraw/zinc/17/79/69/302177969.db2.gz ROVYJUOJTGDFCV-JYJNAYRXSA-N 1 0 303.450 3.228 10 0 DGAERO [NH3+]C1(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCCC1 ZINC000178177399 303356349 /nfs/dbraw/zinc/35/63/49/303356349.db2.gz VRCXRCTZVNJTHT-HNNXBMFYSA-N 1 0 314.429 3.211 10 0 DGAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000261634632 303451287 /nfs/dbraw/zinc/45/12/87/303451287.db2.gz ICWYFTRCXYISHH-IKWCTNDRSA-N 1 0 306.372 3.131 10 0 DGAERO CC[C@H](CC(=O)NC[C@@H](C)[NH+](CC)CC)c1ccc(OC)cc1 ZINC000132900016 312654227 /nfs/dbraw/zinc/65/42/27/312654227.db2.gz MSGDXZIQCJYRDE-HZPDHXFCSA-N 1 0 320.477 3.425 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170832187 312702602 /nfs/dbraw/zinc/70/26/02/312702602.db2.gz ISDKESLDJRNMPI-KGLIPLIRSA-N 1 0 315.417 3.148 10 0 DGAERO CC(C)(C)CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171354262 312717492 /nfs/dbraw/zinc/71/74/92/312717492.db2.gz XVIWIYUAGCGQCX-INIZCTEOSA-N 1 0 309.498 3.330 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnc(-c2ccco2)s1 ZINC000171533474 312723546 /nfs/dbraw/zinc/72/35/46/312723546.db2.gz WYFFUSSPTTVKLI-GFCCVEGCSA-N 1 0 321.446 3.109 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173410037 312756817 /nfs/dbraw/zinc/75/68/17/312756817.db2.gz KRQFHDRMZODCJJ-CHWSQXEVSA-N 1 0 312.479 3.022 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000179531665 312808684 /nfs/dbraw/zinc/80/86/84/312808684.db2.gz BVJGUPBOMNABGB-CQSZACIVSA-N 1 0 306.450 3.429 10 0 DGAERO CCC(CC)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000179791361 312816664 /nfs/dbraw/zinc/81/66/64/312816664.db2.gz OFUOBLPRLXLKAT-YOEHRIQHSA-N 1 0 311.491 3.434 10 0 DGAERO CC(C)COC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000179807588 312817492 /nfs/dbraw/zinc/81/74/92/312817492.db2.gz BNMRJBMDRJTWOT-UHFFFAOYSA-N 1 0 307.482 3.355 10 0 DGAERO Cc1cccc([C@@H]2CCCN2C(=O)CC2CC[NH+](C)CC2)c1 ZINC000376837925 312991668 /nfs/dbraw/zinc/99/16/68/312991668.db2.gz YRZQEOMXJRNKFE-SFHVURJKSA-N 1 0 300.446 3.390 10 0 DGAERO c1cnnc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000530158283 313328087 /nfs/dbraw/zinc/32/80/87/313328087.db2.gz NUQLCLAYPMRBJX-UHFFFAOYSA-N 1 0 321.384 3.180 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1 ZINC000530514221 313379312 /nfs/dbraw/zinc/37/93/12/313379312.db2.gz ZUKIHBQJDLCNGX-UHFFFAOYSA-N 1 0 307.482 3.106 10 0 DGAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000531990162 313509276 /nfs/dbraw/zinc/50/92/76/313509276.db2.gz DBRLMZZNVRDWPC-YJBOKZPZSA-N 1 0 324.424 3.460 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1CCO[C@@H](C)C1 ZINC000533122976 313601174 /nfs/dbraw/zinc/60/11/74/313601174.db2.gz FCRMDANGSRYGNI-SZGZABIGSA-N 1 0 308.853 3.054 10 0 DGAERO C[C@H]1C[C@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533640231 313633123 /nfs/dbraw/zinc/63/31/23/313633123.db2.gz QNHAEIUPOSLZKI-UWVGGRQHSA-N 1 0 311.216 3.320 10 0 DGAERO c1nc(C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)c[nH]1 ZINC000536669680 313778298 /nfs/dbraw/zinc/77/82/98/313778298.db2.gz YRDBQQNHBBSRGJ-UHFFFAOYSA-N 1 0 307.401 3.179 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000538315400 313856344 /nfs/dbraw/zinc/85/63/44/313856344.db2.gz HRWSKAAAWJGZTN-RBUKOAKNSA-N 1 0 310.441 3.353 10 0 DGAERO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)CCC[NH+](C)C ZINC000538316094 313856396 /nfs/dbraw/zinc/85/63/96/313856396.db2.gz UFLAAOPXCXOVBJ-HNNXBMFYSA-N 1 0 320.477 3.162 10 0 DGAERO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000538314713 313856425 /nfs/dbraw/zinc/85/64/25/313856425.db2.gz OECCLTFFDKFWFG-INIZCTEOSA-N 1 0 320.477 3.296 10 0 DGAERO Cc1ccc(C)n1-c1sccc1C(=O)N(C)CCC[NH+](C)C ZINC000538316613 313856476 /nfs/dbraw/zinc/85/64/76/313856476.db2.gz CTNBIDQYFXOSBU-UHFFFAOYSA-N 1 0 319.474 3.179 10 0 DGAERO CCC[C@@H](CCO)C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000539393531 313910364 /nfs/dbraw/zinc/91/03/64/313910364.db2.gz XEBZXQUPLNCCMD-KSSFIOAISA-N 1 0 319.424 3.037 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000539415650 313911992 /nfs/dbraw/zinc/91/19/92/313911992.db2.gz FRFXXLOFQWQRPI-UHFFFAOYSA-N 1 0 310.869 3.319 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000540156162 313950170 /nfs/dbraw/zinc/95/01/70/313950170.db2.gz FPILHLBIMRUMOR-QAPCUYQASA-N 1 0 317.477 3.340 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000541337755 314009394 /nfs/dbraw/zinc/00/93/94/314009394.db2.gz RGBGWQIOXGSRKB-SJORKVTESA-N 1 0 307.482 3.249 10 0 DGAERO COC(=O)c1ccc(-c2nc(C[NH+]3C4CCC3CC4)co2)cc1 ZINC000541998114 314052468 /nfs/dbraw/zinc/05/24/68/314052468.db2.gz GZFPKALEHLUBMJ-UHFFFAOYSA-N 1 0 312.369 3.255 10 0 DGAERO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000542254629 314065316 /nfs/dbraw/zinc/06/53/16/314065316.db2.gz QMBYDRAWYPGDAG-CVEARBPZSA-N 1 0 316.445 3.161 10 0 DGAERO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C[C@H]2CC=CCC2)c1 ZINC000542255429 314065380 /nfs/dbraw/zinc/06/53/80/314065380.db2.gz YRWLFXMAQIHWGH-ZWKOTPCHSA-N 1 0 303.446 3.331 10 0 DGAERO CCOCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542671222 314090356 /nfs/dbraw/zinc/09/03/56/314090356.db2.gz SUAVZPMKYIXZSL-MRXNPFEDSA-N 1 0 307.825 3.179 10 0 DGAERO CN(C)c1nccc(C[NH2+]C2(c3ccccc3)CCCCC2)n1 ZINC000543060954 314112112 /nfs/dbraw/zinc/11/21/12/314112112.db2.gz FMOXJJBETYKDDY-UHFFFAOYSA-N 1 0 310.445 3.492 10 0 DGAERO C[C@@H](CNC(=O)N(C)C[C@H]1CC=CCC1)[N@@H+]1CCCC[C@H]1C ZINC000543352124 314128842 /nfs/dbraw/zinc/12/88/42/314128842.db2.gz PQQLLPFKCZEPBB-IKGGRYGDSA-N 1 0 307.482 3.247 10 0 DGAERO COC(=O)[C@H](C1CC1)[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000543843521 314160820 /nfs/dbraw/zinc/16/08/20/314160820.db2.gz TVQAGYGZDRHRBB-KRWDZBQOSA-N 1 0 305.393 3.032 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000544254661 314182478 /nfs/dbraw/zinc/18/24/78/314182478.db2.gz YYTDVNHWOHDPTI-AWEZNQCLSA-N 1 0 307.482 3.293 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000544440454 314193799 /nfs/dbraw/zinc/19/37/99/314193799.db2.gz LQYXKCLWDSMUQB-YQQAZPJKSA-N 1 0 309.498 3.232 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000544533655 314196984 /nfs/dbraw/zinc/19/69/84/314196984.db2.gz BCHZZYLCXLUMPS-UHFFFAOYSA-N 1 0 318.446 3.226 10 0 DGAERO C[C@@H]1CCN(CC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000545199500 314231912 /nfs/dbraw/zinc/23/19/12/314231912.db2.gz FMVBIQXOACCQJL-OAHLLOKOSA-N 1 0 318.461 3.073 10 0 DGAERO CCCN(Cc1ccccc1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000546567158 314311166 /nfs/dbraw/zinc/31/11/66/314311166.db2.gz VEWHWJJZVHAJBS-UHFFFAOYSA-N 1 0 315.461 3.260 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000547361518 314359774 /nfs/dbraw/zinc/35/97/74/314359774.db2.gz KNBCVFORLYBVAC-APWZRJJASA-N 1 0 313.441 3.210 10 0 DGAERO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000549037993 314490647 /nfs/dbraw/zinc/49/06/47/314490647.db2.gz YYZGSCMDHXAVFQ-XJKSGUPXSA-N 1 0 323.444 3.285 10 0 DGAERO COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000549037852 314490816 /nfs/dbraw/zinc/49/08/16/314490816.db2.gz WTSJXMNIFJSYNT-SJORKVTESA-N 1 0 311.429 3.473 10 0 DGAERO CCOC(=O)CC(C)(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000553869672 314657184 /nfs/dbraw/zinc/65/71/84/314657184.db2.gz GGOSANKOCGSZRM-UHFFFAOYSA-N 1 0 318.461 3.178 10 0 DGAERO COc1cc(C)ccc1[C@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000554391682 314678767 /nfs/dbraw/zinc/67/87/67/314678767.db2.gz XFHYVCBZKJDKFU-JEYLPNPQSA-N 1 0 304.434 3.102 10 0 DGAERO Clc1sc(CNCCC[NH+]2CCC2)cc1Br ZINC000565372466 315257370 /nfs/dbraw/zinc/25/73/70/315257370.db2.gz KCIOTLCGTZYSQP-UHFFFAOYSA-N 1 0 323.687 3.349 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]C[C@H]3CCCCO3)CC23CC3)cc1 ZINC000566216111 315322778 /nfs/dbraw/zinc/32/27/78/315322778.db2.gz OIKLMEZAYNZOJY-RTBURBONSA-N 1 0 314.473 3.342 10 0 DGAERO c1ccc2c(c1)O[C@H](C[NH2+][C@H]1CCC13CCOCC3)CS2 ZINC000566221955 315323485 /nfs/dbraw/zinc/32/34/85/315323485.db2.gz XGVRETICJACYLN-CJNGLKHVSA-N 1 0 305.443 3.089 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc3scnc3c2)CC1 ZINC000576159585 316100974 /nfs/dbraw/zinc/10/09/74/316100974.db2.gz VRXCYQBGXBBEQN-UHFFFAOYSA-N 1 0 316.430 3.070 10 0 DGAERO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)CCC[NH+](C)C ZINC000576646230 316152415 /nfs/dbraw/zinc/15/24/15/316152415.db2.gz BBDGMUDEPCZIBN-HZPDHXFCSA-N 1 0 302.462 3.386 10 0 DGAERO COc1ccc(C[NH2+]CCOCC2CCC2)c(OC(F)F)c1 ZINC000577034648 316194396 /nfs/dbraw/zinc/19/43/96/316194396.db2.gz PVDYVIIPXXRDIQ-UHFFFAOYSA-N 1 0 315.360 3.203 10 0 DGAERO c1c[nH]c(C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)n1 ZINC000577861323 316278545 /nfs/dbraw/zinc/27/85/45/316278545.db2.gz QVCMCNZTACHTQZ-UHFFFAOYSA-N 1 0 319.412 3.246 10 0 DGAERO CCc1oc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1C ZINC000180122417 323221793 /nfs/dbraw/zinc/22/17/93/323221793.db2.gz QWWAQPGCMLRAMV-MAUKXSAKSA-N 1 0 312.413 3.326 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2CCC3)[C@@H]1c1ccccc1 ZINC000180133524 323221817 /nfs/dbraw/zinc/22/18/17/323221817.db2.gz TZLDQJKFSHJPME-PMACEKPBSA-N 1 0 320.436 3.351 10 0 DGAERO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000180140316 323222052 /nfs/dbraw/zinc/22/20/52/323222052.db2.gz NDBAFVKKWAVRNE-RBUKOAKNSA-N 1 0 324.424 3.261 10 0 DGAERO Cc1cccc(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180144063 323222554 /nfs/dbraw/zinc/22/25/54/323222554.db2.gz FLNYXJRQLOYNJU-TZIWHRDSSA-N 1 0 322.452 3.489 10 0 DGAERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1F ZINC000180145381 323222610 /nfs/dbraw/zinc/22/26/10/323222610.db2.gz QXYKSPLMALGTPP-ZWKOTPCHSA-N 1 0 312.388 3.309 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccn3c2)[C@@H]1c1ccccc1 ZINC000180165859 323222693 /nfs/dbraw/zinc/22/26/93/323222693.db2.gz NYIJMDSDGMNYTR-OALUTQOASA-N 1 0 319.408 3.115 10 0 DGAERO CC(C)[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000181602360 323260837 /nfs/dbraw/zinc/26/08/37/323260837.db2.gz SPMOCCUAXDDQCP-QGZVFWFLSA-N 1 0 310.388 3.264 10 0 DGAERO Clc1ccccc1CCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000181885388 323272934 /nfs/dbraw/zinc/27/29/34/323272934.db2.gz JMPCFWMMRUNHEG-HNNXBMFYSA-N 1 0 318.852 3.276 10 0 DGAERO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(F)cc1)Cc1ccccc1 ZINC000182056433 323281865 /nfs/dbraw/zinc/28/18/65/323281865.db2.gz BMESXMQBRWFXEW-MAUKXSAKSA-N 1 0 317.404 3.034 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000182109431 323283628 /nfs/dbraw/zinc/28/36/28/323283628.db2.gz BARMTNHQVMGCCV-MSOLQXFVSA-N 1 0 321.509 3.399 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CCCOc2ccccc21 ZINC000182227297 323287716 /nfs/dbraw/zinc/28/77/16/323287716.db2.gz FJUORPGLSPAZSR-SCLBCKFNSA-N 1 0 313.445 3.471 10 0 DGAERO CCOC(=O)CCCCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182300091 323292146 /nfs/dbraw/zinc/29/21/46/323292146.db2.gz RANTZPOFICHBRJ-ZDUSSCGKSA-N 1 0 307.390 3.189 10 0 DGAERO CC[C@H]([NH2+]Cc1nc2cc(F)ccc2n1CC)[C@@H]1CCCO1 ZINC000182355698 323294971 /nfs/dbraw/zinc/29/49/71/323294971.db2.gz JLBUGENMIJDQOY-BBRMVZONSA-N 1 0 305.397 3.243 10 0 DGAERO CC[C@H]([NH2+]Cc1nc2cc(F)ccc2n1CC)[C@H]1CCCO1 ZINC000182355733 323295462 /nfs/dbraw/zinc/29/54/62/323295462.db2.gz JLBUGENMIJDQOY-XJKSGUPXSA-N 1 0 305.397 3.243 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ncc(Cl)cc1Cl ZINC000182386948 323296406 /nfs/dbraw/zinc/29/64/06/323296406.db2.gz VMSJIMHGTFMCBF-GFCCVEGCSA-N 1 0 302.249 3.305 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1cccc(Cl)c1 ZINC000182598805 323306044 /nfs/dbraw/zinc/30/60/44/323306044.db2.gz OJFRTOQWGWCWDW-BXUZGUMPSA-N 1 0 303.855 3.061 10 0 DGAERO C[C@H](CCNC(=O)C(C)(C)c1ccccc1F)[NH+]1CCCCC1 ZINC000183172906 323328677 /nfs/dbraw/zinc/32/86/77/323328677.db2.gz GQHCDDKTVHFFKU-OAHLLOKOSA-N 1 0 320.452 3.484 10 0 DGAERO COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC1CCCC1 ZINC000183322335 323334224 /nfs/dbraw/zinc/33/42/24/323334224.db2.gz RRVXQBHELIBMTO-AWEZNQCLSA-N 1 0 305.418 3.469 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)c1 ZINC000183472399 323338795 /nfs/dbraw/zinc/33/87/95/323338795.db2.gz OVZMISMVIVONDX-MRXNPFEDSA-N 1 0 312.413 3.002 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)cc1F ZINC000183475006 323339111 /nfs/dbraw/zinc/33/91/11/323339111.db2.gz KYXRGFZYXHQVAB-GFCCVEGCSA-N 1 0 319.424 3.468 10 0 DGAERO COc1cc(-c2ccccc2)ccc1C[NH2+]CCCn1ccnn1 ZINC000184245431 323360131 /nfs/dbraw/zinc/36/01/31/323360131.db2.gz XJXKKNBOSXQTAH-UHFFFAOYSA-N 1 0 322.412 3.134 10 0 DGAERO CC(C)[C@@H](CSc1ccccc1)[NH2+]CCCn1ccnn1 ZINC000184272484 323361136 /nfs/dbraw/zinc/36/11/36/323361136.db2.gz JTNKYKFVPYLSHV-MRXNPFEDSA-N 1 0 304.463 3.075 10 0 DGAERO CC[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1nccs1 ZINC000185121925 323381421 /nfs/dbraw/zinc/38/14/21/323381421.db2.gz DEVLQEXIIAJRBR-ZDUSSCGKSA-N 1 0 307.394 3.352 10 0 DGAERO CC(C)(C)OC[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000185827417 323396585 /nfs/dbraw/zinc/39/65/85/323396585.db2.gz XWCKVWFCBNLFBD-QGZVFWFLSA-N 1 0 305.462 3.308 10 0 DGAERO COC[C@H](C)C[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000187956936 323420309 /nfs/dbraw/zinc/42/03/09/323420309.db2.gz MGZBPLWUGJYGCC-GFCCVEGCSA-N 1 0 312.251 3.353 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1ccc(C)cc1OCC(F)(F)F ZINC000188141877 323422822 /nfs/dbraw/zinc/42/28/22/323422822.db2.gz AHPKYILGPHJYFK-GFCCVEGCSA-N 1 0 305.340 3.308 10 0 DGAERO COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(CO)c(F)c1 ZINC000194863718 323482381 /nfs/dbraw/zinc/48/23/81/323482381.db2.gz BXEGFIDJGPAZKA-GOSISDBHSA-N 1 0 315.388 3.494 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(CSCc4ccncc4)n3)cc12 ZINC000351092246 323543824 /nfs/dbraw/zinc/54/38/24/323543824.db2.gz OVYJWOJKGQQXEE-UHFFFAOYSA-N 1 0 323.381 3.213 10 0 DGAERO [NH3+]C[C@H]1CC[C@H](Nc2ncc(Cl)cc2Br)C1 ZINC000382433386 323621810 /nfs/dbraw/zinc/62/18/10/323621810.db2.gz SPCZXTACLLHWBJ-CBAPKCEASA-N 1 0 304.619 3.037 10 0 DGAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000383565738 323625395 /nfs/dbraw/zinc/62/53/95/323625395.db2.gz AZYORYJUHJABAO-JQWIXIFHSA-N 1 0 300.244 3.241 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000389834442 323663068 /nfs/dbraw/zinc/66/30/68/323663068.db2.gz JHZUXFXGMWQKHD-LDYMZIIASA-N 1 0 302.205 3.113 10 0 DGAERO CC(C)(O)C(C)(C)C[NH2+]Cc1ccsc1Br ZINC000393589950 323673777 /nfs/dbraw/zinc/67/37/77/323673777.db2.gz HPCMCJFITLRFLA-UHFFFAOYSA-N 1 0 306.269 3.397 10 0 DGAERO Brc1cccc2c1C[C@H]([NH2+]CC[C@@H]1CCOC1)CC2 ZINC000580335717 323986382 /nfs/dbraw/zinc/98/63/82/323986382.db2.gz HTHVEHXGRJFADZ-TZMCWYRMSA-N 1 0 324.262 3.323 10 0 DGAERO Cc1cccnc1CC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000583066722 324308411 /nfs/dbraw/zinc/30/84/11/324308411.db2.gz UDHPTKFMIKOBCR-LBPRGKRZSA-N 1 0 320.234 3.441 10 0 DGAERO C[C@]1(C(=O)NCc2cccc(Cl)c2Cl)CCCC[NH2+]1 ZINC000583084965 324311904 /nfs/dbraw/zinc/31/19/04/324311904.db2.gz JUOUUGYNXTVWJG-CQSZACIVSA-N 1 0 301.217 3.142 10 0 DGAERO Fc1cc(C[NH2+]CCOCC2CCC2)ccc1OC(F)F ZINC000583117739 324314321 /nfs/dbraw/zinc/31/43/21/324314321.db2.gz ZEADARRVGGEVEM-UHFFFAOYSA-N 1 0 303.324 3.333 10 0 DGAERO CC(C)OC(=O)[C@@H]1CCCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000583239109 324329561 /nfs/dbraw/zinc/32/95/61/324329561.db2.gz MZRDICPGBHYFGX-INIZCTEOSA-N 1 0 304.365 3.223 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)CCN1Cc1ccccc1 ZINC000583726901 324389218 /nfs/dbraw/zinc/38/92/18/324389218.db2.gz IKFYIZBSAJZKMP-XLIONFOSSA-N 1 0 316.489 3.446 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1C ZINC000584290237 332219084 /nfs/dbraw/zinc/21/90/84/332219084.db2.gz NJUVFYYVBORLOT-DLBZAZTESA-N 1 0 302.418 3.434 10 0 DGAERO Clc1ccc(Nc2ccc([C@@]34CC[C@@H](CO3)[NH2+]C4)cc2)nc1 ZINC000584628386 337376378 /nfs/dbraw/zinc/37/63/78/337376378.db2.gz MINPZJOKKYBPMD-RDJZCZTQSA-N 1 0 315.804 3.456 10 0 DGAERO CC[C@H](C[NH2+]CCC(C)(C)SC)NC(=O)OC(C)(C)C ZINC000385312694 1177160116 /nfs/dbraw/zinc/16/01/16/1177160116.db2.gz NUOLPSXSDPXSRX-GFCCVEGCSA-N 1 0 304.500 3.411 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000178706870 533784553 /nfs/dbraw/zinc/78/45/53/533784553.db2.gz FMEQLRWKHPNURV-CYBMUJFWSA-N 1 0 323.868 3.001 10 0 DGAERO COC(=O)c1cc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c[nH]1 ZINC000435782521 533831238 /nfs/dbraw/zinc/83/12/38/533831238.db2.gz RCEZQRDHRNPZDD-CTYIDZIISA-N 1 0 318.804 3.491 10 0 DGAERO C[C@H](CCCC[NH3+])Nc1ccnc2cc(Br)cnc21 ZINC000311464863 533852767 /nfs/dbraw/zinc/85/27/67/533852767.db2.gz MWFWOZZQWFYIDB-SNVBAGLBSA-N 1 0 323.238 3.322 10 0 DGAERO Cc1ccc(NC(=O)NCC2(C)CCC2)c(OCC[NH+](C)C)c1 ZINC000177053959 534185850 /nfs/dbraw/zinc/18/58/50/534185850.db2.gz NUEWRFXYYARHOX-UHFFFAOYSA-N 1 0 319.449 3.247 10 0 DGAERO CSc1ccc(CC[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000435734081 534200491 /nfs/dbraw/zinc/20/04/91/534200491.db2.gz XWHVXYVGEMXPBQ-UHFFFAOYSA-N 1 0 324.453 3.322 10 0 DGAERO O=C1CC[C@@H]([NH2+]Cc2nc3cc(F)ccc3o2)C2(CCC2)N1 ZINC000328698625 534342422 /nfs/dbraw/zinc/34/24/22/534342422.db2.gz LUTARRFIODDUMI-CYBMUJFWSA-N 1 0 303.337 3.098 10 0 DGAERO Cc1nc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)cs1 ZINC000191105439 534383611 /nfs/dbraw/zinc/38/36/11/534383611.db2.gz NODFWCHSMXVYQT-UHFFFAOYSA-N 1 0 321.877 3.253 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC000305740150 534422429 /nfs/dbraw/zinc/42/24/29/534422429.db2.gz CNBGVRGAXHHOLU-WMLDXEAASA-N 1 0 317.458 3.265 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cc(F)ccc2F)CC1 ZINC000157642425 519842757 /nfs/dbraw/zinc/84/27/57/519842757.db2.gz PZGFEKXSDNOIEL-UHFFFAOYSA-N 1 0 311.376 3.208 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cn1 ZINC000156023606 519980744 /nfs/dbraw/zinc/98/07/44/519980744.db2.gz OOKZJUVZZVLYSY-XIRDDKMYSA-N 1 0 301.438 3.495 10 0 DGAERO c1ccc([C@H]([NH2+]CCN2CCc3ccccc32)[C@@H]2CCOC2)cc1 ZINC000428324504 534501344 /nfs/dbraw/zinc/50/13/44/534501344.db2.gz LBSATBFDJLQBPC-CTNGQTDRSA-N 1 0 322.452 3.417 10 0 DGAERO CC1(C)[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)[C@@H]2CCCC[C@@H]21 ZINC000089732261 520672173 /nfs/dbraw/zinc/67/21/73/520672173.db2.gz IGUMYGBCVLWJLG-UIBIWLFHSA-N 1 0 314.477 3.250 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(OC(F)(F)F)c1 ZINC000154630708 520857065 /nfs/dbraw/zinc/85/70/65/520857065.db2.gz WSEKRZRUEFWFOW-LLVKDONJSA-N 1 0 318.339 3.045 10 0 DGAERO Cc1oc2nc(C[N@H+]3CC[C@@H](C)C[C@H](C)C3)nc(N)c2c1C ZINC000127835979 534558954 /nfs/dbraw/zinc/55/89/54/534558954.db2.gz JHMKRTPAPIVDIO-MNOVXSKESA-N 1 0 302.422 3.290 10 0 DGAERO CCC(CC)c1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)on1 ZINC000163403471 521627982 /nfs/dbraw/zinc/62/79/82/521627982.db2.gz LONMDMKBGGUFHP-UHFFFAOYSA-N 1 0 319.449 3.279 10 0 DGAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181300417 522166724 /nfs/dbraw/zinc/16/67/24/522166724.db2.gz AEKTZBXPSWRODR-CABCVRRESA-N 1 0 311.429 3.314 10 0 DGAERO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181300456 522167761 /nfs/dbraw/zinc/16/77/61/522167761.db2.gz AEKTZBXPSWRODR-HUUCEWRRSA-N 1 0 311.429 3.314 10 0 DGAERO CC[C@H](OC1CCCCC1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000154002917 522854247 /nfs/dbraw/zinc/85/42/47/522854247.db2.gz FCVNZFROMBRFMJ-SFHVURJKSA-N 1 0 322.493 3.201 10 0 DGAERO COc1cc([C@H]2[NH2+]CCn3cccc32)ccc1OCC(C)C ZINC000032500419 522962632 /nfs/dbraw/zinc/96/26/32/522962632.db2.gz GCGCRYKQPOOEJD-GOSISDBHSA-N 1 0 300.402 3.224 10 0 DGAERO CCc1oc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000156978375 522975993 /nfs/dbraw/zinc/97/59/93/522975993.db2.gz AETQMYXGONHFFJ-OAHLLOKOSA-N 1 0 304.434 3.241 10 0 DGAERO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(n2cncn2)CC1 ZINC000154511390 523092111 /nfs/dbraw/zinc/09/21/11/523092111.db2.gz FXTHYMZCVJTACL-INIZCTEOSA-N 1 0 306.360 3.345 10 0 DGAERO CCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccc(C)cc2)n1 ZINC000070456202 523821024 /nfs/dbraw/zinc/82/10/24/523821024.db2.gz OJTBKEHWAQPLAI-HNNXBMFYSA-N 1 0 310.445 3.426 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000129973168 524103311 /nfs/dbraw/zinc/10/33/11/524103311.db2.gz QPVKUACIEFUFCH-HNNXBMFYSA-N 1 0 311.429 3.386 10 0 DGAERO Cc1cccc(-c2cccc(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2)c1 ZINC000237813579 524110548 /nfs/dbraw/zinc/11/05/48/524110548.db2.gz HNWSPEICOBIHBW-MOPGFXCFSA-N 1 0 308.425 3.406 10 0 DGAERO C[C@H](CC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)[S@@](C)=O ZINC000229789579 524198362 /nfs/dbraw/zinc/19/83/62/524198362.db2.gz FINZFUOCGITZDI-PTPDTQQLSA-N 1 0 304.459 3.292 10 0 DGAERO Cc1cc(C)cc(-c2cc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)n[nH]2)c1 ZINC000262781622 524354856 /nfs/dbraw/zinc/35/48/56/524354856.db2.gz JDVFKZJJUVRSTG-KBPBESRZSA-N 1 0 312.417 3.020 10 0 DGAERO C[C@H]([NH3+])C(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000157121378 524825154 /nfs/dbraw/zinc/82/51/54/524825154.db2.gz QOKXXVHKCHKGMG-SJCJKPOMSA-N 1 0 314.454 3.180 10 0 DGAERO COc1ccc(OC)c([C@H](C)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000156603437 524904394 /nfs/dbraw/zinc/90/43/94/524904394.db2.gz QHYUXOBKRREOKN-CABCVRRESA-N 1 0 306.450 3.229 10 0 DGAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cncc(F)c3)CC2)nc1 ZINC000163517603 524942562 /nfs/dbraw/zinc/94/25/62/524942562.db2.gz UGAGTMFZIBRZSS-AWEZNQCLSA-N 1 0 314.408 3.244 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000496199979 534826542 /nfs/dbraw/zinc/82/65/42/534826542.db2.gz LLQIZBGXWLVPOV-KBMXLJTQSA-N 1 0 308.466 3.269 10 0 DGAERO COc1ccc([C@H](C)NCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000156638241 525319312 /nfs/dbraw/zinc/31/93/12/525319312.db2.gz KGFCLUWUECAXQC-GJZGRUSLSA-N 1 0 306.450 3.229 10 0 DGAERO C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000156732193 525336010 /nfs/dbraw/zinc/33/60/10/525336010.db2.gz XKNKPXSBIHXYPA-LLVKDONJSA-N 1 0 300.789 3.434 10 0 DGAERO C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000156629604 525349898 /nfs/dbraw/zinc/34/98/98/525349898.db2.gz VMRBKCSDMDGCEB-SJORKVTESA-N 1 0 312.461 3.397 10 0 DGAERO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000160613437 525744570 /nfs/dbraw/zinc/74/45/70/525744570.db2.gz DNMFVXMOJJKCMI-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO Cc1csc(C2CC[NH+]([C@H](C)C(=O)N3CCCCC3)CC2)n1 ZINC000157833486 526332128 /nfs/dbraw/zinc/33/21/28/526332128.db2.gz MYJYYQGNQCWMQA-CQSZACIVSA-N 1 0 321.490 3.032 10 0 DGAERO Clc1ccc(CCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000158068733 526942653 /nfs/dbraw/zinc/94/26/53/526942653.db2.gz BPYJQBFILFJRPP-INIZCTEOSA-N 1 0 318.852 3.276 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1Cl ZINC000415460667 527302329 /nfs/dbraw/zinc/30/23/29/527302329.db2.gz ZEZAETDFSVVZCK-BONVTDFDSA-N 1 0 323.824 3.276 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC2(C)CC[NH2+]CC2)cc1Cl ZINC000415444491 527306416 /nfs/dbraw/zinc/30/64/16/527306416.db2.gz IPJRCXWISLUHBF-UHFFFAOYSA-N 1 0 323.824 3.054 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000237948788 527366369 /nfs/dbraw/zinc/36/63/69/527366369.db2.gz LRRQQDXPFILTBK-DGCLKSJQSA-N 1 0 315.348 3.079 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCCc3cc(OC(F)F)ccc32)C1 ZINC000152650342 527405163 /nfs/dbraw/zinc/40/51/63/527405163.db2.gz JHIWSHPSTQEFNU-STQMWFEESA-N 1 0 324.371 3.085 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ncccc1OC(C)C ZINC000175999195 528115952 /nfs/dbraw/zinc/11/59/52/528115952.db2.gz ONATUZGSKKEZKS-OAHLLOKOSA-N 1 0 321.465 3.109 10 0 DGAERO CCCc1nc(C)c(C(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000178762242 528706434 /nfs/dbraw/zinc/70/64/34/528706434.db2.gz PQOWBYQQAHNVBL-UHFFFAOYSA-N 1 0 323.506 3.254 10 0 DGAERO CCOc1ccccc1CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000155559761 528718932 /nfs/dbraw/zinc/71/89/32/528718932.db2.gz AQCHLCSYVSIRCG-IAGOWNOFSA-N 1 0 318.461 3.042 10 0 DGAERO CCCc1nnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000302188226 528777869 /nfs/dbraw/zinc/77/78/69/528777869.db2.gz XDLXFKJYXULYIL-ZFWWWQNUSA-N 1 0 316.474 3.423 10 0 DGAERO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000172586453 528781339 /nfs/dbraw/zinc/78/13/39/528781339.db2.gz ATVGHHYWXBYALG-OLZOCXBDSA-N 1 0 308.388 3.295 10 0 DGAERO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178381794 528878335 /nfs/dbraw/zinc/87/83/35/528878335.db2.gz LCLUEZZCYJSSKR-ZDUSSCGKSA-N 1 0 304.203 3.085 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000157385834 528896974 /nfs/dbraw/zinc/89/69/74/528896974.db2.gz LILSEKIVLIKKTF-QWHCGFSZSA-N 1 0 323.403 3.089 10 0 DGAERO CCSCC[C@@H](C)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000132300493 529189293 /nfs/dbraw/zinc/18/92/93/529189293.db2.gz GKWWJPPEASVXGM-AEFFLSMTSA-N 1 0 306.519 3.425 10 0 DGAERO CC(C)[C@H](C[N@@H+]1CCCN(c2cccnn2)CC1)c1ccccc1 ZINC000474258826 534990589 /nfs/dbraw/zinc/99/05/89/534990589.db2.gz LONZZNXGBMXKKO-IBGZPJMESA-N 1 0 324.472 3.429 10 0 DGAERO CC[C@@H](C)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000487926192 535585880 /nfs/dbraw/zinc/58/58/80/535585880.db2.gz QCGXNOMVWSGKJA-CRAIPNDOSA-N 1 0 303.450 3.139 10 0 DGAERO C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)C[C@H]1CC=CCC1 ZINC000488280762 536314099 /nfs/dbraw/zinc/31/40/99/536314099.db2.gz HBVRBHRTZJEDQA-HNNXBMFYSA-N 1 0 315.413 3.319 10 0 DGAERO C[NH2+][C@@H]1CCN(c2cc(Br)ccc2OC)[C@H](C)C1 ZINC000049714369 536377756 /nfs/dbraw/zinc/37/77/56/536377756.db2.gz YTYMJOOLTFNBAM-ZYHUDNBSSA-N 1 0 313.239 3.034 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@H](Cc2ccccc2)OC)cc1 ZINC000449393052 536502633 /nfs/dbraw/zinc/50/26/33/536502633.db2.gz LSSYWLRRDXUBSU-UZLBHIALSA-N 1 0 313.441 3.474 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ncc(Br)cc2F)C1 ZINC000471768131 536705879 /nfs/dbraw/zinc/70/58/79/536705879.db2.gz DQHJYCMLZIFEAR-INTQDDNPSA-N 1 0 317.202 3.201 10 0 DGAERO COc1ccc2c(c1)C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)CC2 ZINC000477856908 536992514 /nfs/dbraw/zinc/99/25/14/536992514.db2.gz FNKYGIYNVKRMGB-QUCCMNQESA-N 1 0 317.473 3.473 10 0 DGAERO CCCn1nccc1NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000078246526 545744888 /nfs/dbraw/zinc/74/48/88/545744888.db2.gz BUQFXYVEQSVGCD-HNNXBMFYSA-N 1 0 323.485 3.171 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCCC2CC[NH+](C)CC2)cc1F ZINC000087136401 545802420 /nfs/dbraw/zinc/80/24/20/545802420.db2.gz CPMQYQUQDQFPHT-AWEZNQCLSA-N 1 0 321.440 3.226 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000089459933 545814534 /nfs/dbraw/zinc/81/45/34/545814534.db2.gz HJXQFLUDFKNOOW-WPRPVWTQSA-N 1 0 318.751 3.255 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455207 545814603 /nfs/dbraw/zinc/81/46/03/545814603.db2.gz PVGWKNOMSWMADP-PWSUYJOCSA-N 1 0 315.244 3.327 10 0 DGAERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000092588363 545848295 /nfs/dbraw/zinc/84/82/95/545848295.db2.gz GHAKSLHKLAUPQI-MRXNPFEDSA-N 1 0 316.445 3.238 10 0 DGAERO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)n1 ZINC000093048632 545851920 /nfs/dbraw/zinc/85/19/20/545851920.db2.gz OWJGUXFGKQGXDQ-HNNXBMFYSA-N 1 0 312.369 3.161 10 0 DGAERO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000111246008 545873083 /nfs/dbraw/zinc/87/30/83/545873083.db2.gz SIKMJDLQENVEMU-NOZJJQNGSA-N 1 0 320.742 3.059 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000120641490 545888344 /nfs/dbraw/zinc/88/83/44/545888344.db2.gz PXVYDCQOHOPXRB-VOJFVSQTSA-N 1 0 301.409 3.384 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)s1)C(=O)NCc1ccco1 ZINC000127216192 545928298 /nfs/dbraw/zinc/92/82/98/545928298.db2.gz ASZRFBLNDHVTEQ-LBPRGKRZSA-N 1 0 320.458 3.433 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000136374129 545982121 /nfs/dbraw/zinc/98/21/21/545982121.db2.gz MOFZFNPCLDIXFC-LBPRGKRZSA-N 1 0 303.233 3.325 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[NH+]2[C@H](C)COC[C@H]2C)c(C)c1 ZINC000137619195 545983548 /nfs/dbraw/zinc/98/35/48/545983548.db2.gz HQJXTPZBBJCDDQ-IAGOWNOFSA-N 1 0 318.461 3.440 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[NH+]2[C@@H](C)COC[C@@H]2C)c(C)c1 ZINC000137619102 545984077 /nfs/dbraw/zinc/98/40/77/545984077.db2.gz HQJXTPZBBJCDDQ-IRXDYDNUSA-N 1 0 318.461 3.440 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000149750553 545988219 /nfs/dbraw/zinc/98/82/19/545988219.db2.gz HOTVWSQMSAUAIY-VXGBXAGGSA-N 1 0 318.642 3.496 10 0 DGAERO Fc1ccc(OCCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152485693 546003466 /nfs/dbraw/zinc/00/34/66/546003466.db2.gz DTLURGRSMJAAFK-SFHVURJKSA-N 1 0 316.376 3.143 10 0 DGAERO CN1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CCCCC2)CCC1=O ZINC000152429718 546003631 /nfs/dbraw/zinc/00/36/31/546003631.db2.gz JHNWEOUDSLESFN-OALUTQOASA-N 1 0 314.473 3.388 10 0 DGAERO c1ccc(SCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152535199 546004379 /nfs/dbraw/zinc/00/43/79/546004379.db2.gz RJJMQNSEGUPKSF-INIZCTEOSA-N 1 0 300.427 3.327 10 0 DGAERO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000152970624 546006347 /nfs/dbraw/zinc/00/63/47/546006347.db2.gz MXIMREYJUVOPKY-BEFAXECRSA-N 1 0 312.461 3.423 10 0 DGAERO Fc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1Br ZINC000156711411 546035907 /nfs/dbraw/zinc/03/59/07/546035907.db2.gz LQLXIXMBHGFDPA-NSHDSACASA-N 1 0 302.187 3.247 10 0 DGAERO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000177437196 546121305 /nfs/dbraw/zinc/12/13/05/546121305.db2.gz NGJQUBSBAHFVIB-WDEREUQCSA-N 1 0 300.805 3.385 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)COCc1ccccc1 ZINC000178064811 546125960 /nfs/dbraw/zinc/12/59/60/546125960.db2.gz UJTOMMUPHVROAV-FXAWDEMLSA-N 1 0 313.441 3.439 10 0 DGAERO Cc1nc(CN2CCC[N@H+](CC3CCC(C)(C)CC3)CC2)no1 ZINC000179488476 546135703 /nfs/dbraw/zinc/13/57/03/546135703.db2.gz WWOWFPCKEJZKOQ-UHFFFAOYSA-N 1 0 320.481 3.102 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000179932217 546140149 /nfs/dbraw/zinc/14/01/49/546140149.db2.gz IIPHJFSNXMFCKG-QGZVFWFLSA-N 1 0 302.462 3.345 10 0 DGAERO C[N@H+](CC(C)(C)c1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000180078958 546140876 /nfs/dbraw/zinc/14/08/76/546140876.db2.gz CFIVHDVQHUDBMI-SFHVURJKSA-N 1 0 324.472 3.355 10 0 DGAERO COc1ccc([C@H](C)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000180484204 546145728 /nfs/dbraw/zinc/14/57/28/546145728.db2.gz UIXILILZSXULIY-BEFAXECRSA-N 1 0 312.413 3.347 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3c[nH]nc3C)C2)c1 ZINC000180565941 546146955 /nfs/dbraw/zinc/14/69/55/546146955.db2.gz WWMZKISPDUXQLM-UKRRQHHQSA-N 1 0 314.433 3.046 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1ccc(F)c(Cl)c1 ZINC000180721598 546147771 /nfs/dbraw/zinc/14/77/71/546147771.db2.gz IUEYPGVZURRPDZ-QMMMGPOBSA-N 1 0 313.785 3.225 10 0 DGAERO CCn1ccnc1C[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181151011 546154594 /nfs/dbraw/zinc/15/45/94/546154594.db2.gz FHNQYRCEVWKOBA-HNNXBMFYSA-N 1 0 323.444 3.467 10 0 DGAERO COCc1ccsc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000181146475 546154663 /nfs/dbraw/zinc/15/46/63/546154663.db2.gz FRFKKXOGUMGWPU-UHFFFAOYSA-N 1 0 318.442 3.103 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1F ZINC000181335702 546154906 /nfs/dbraw/zinc/15/49/06/546154906.db2.gz ZIKHNUWTSSSVHJ-YDHLFZDLSA-N 1 0 306.425 3.289 10 0 DGAERO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)c(F)c2)cc1 ZINC000181347204 546155580 /nfs/dbraw/zinc/15/55/80/546155580.db2.gz UHIBYQXJYOMXDR-HNNXBMFYSA-N 1 0 314.404 3.410 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2C)cc1F ZINC000181351487 546155598 /nfs/dbraw/zinc/15/55/98/546155598.db2.gz XBOUDNNHHZGEOP-HNNXBMFYSA-N 1 0 314.404 3.410 10 0 DGAERO COc1ccc(-c2cnc(C[NH2+][C@H](C)[C@H]3CCCO3)o2)cc1 ZINC000183122863 546171605 /nfs/dbraw/zinc/17/16/05/546171605.db2.gz MSFYZYOJJYOHGJ-IUODEOHRSA-N 1 0 302.374 3.007 10 0 DGAERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c(Cl)c1 ZINC000183162325 546171707 /nfs/dbraw/zinc/17/17/07/546171707.db2.gz GKYPLMSSCTVWCY-HUBLWGQQSA-N 1 0 310.825 3.133 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[NH2+][C@H](C)[C@H]2CCCO2)c(C)c1 ZINC000183145627 546171734 /nfs/dbraw/zinc/17/17/34/546171734.db2.gz CQEHQXPBTFUHCX-IAGOWNOFSA-N 1 0 318.461 3.488 10 0 DGAERO Cn1nccc1C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183233073 546173961 /nfs/dbraw/zinc/17/39/61/546173961.db2.gz KOOUAMPLOBFCMG-UHFFFAOYSA-N 1 0 306.413 3.348 10 0 DGAERO Brc1ccc2[nH]c(C[NH2+]Cc3cncnc3)cc2c1 ZINC000183821045 546178548 /nfs/dbraw/zinc/17/85/48/546178548.db2.gz XSLBGCZHGDFQQM-UHFFFAOYSA-N 1 0 317.190 3.010 10 0 DGAERO C[C@@H](NCc1noc2c1CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666806 546189057 /nfs/dbraw/zinc/18/90/57/546189057.db2.gz OZVKBKKLGWLDAJ-HUUCEWRRSA-N 1 0 317.477 3.296 10 0 DGAERO FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000186847840 546197083 /nfs/dbraw/zinc/19/70/83/546197083.db2.gz PCNFWFLEUWKLLM-QWHCGFSZSA-N 1 0 314.351 3.053 10 0 DGAERO Clc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCOC3)C2)c(Cl)c1 ZINC000189446762 546212234 /nfs/dbraw/zinc/21/22/34/546212234.db2.gz OBNZIOBHOHXRKD-CHWSQXEVSA-N 1 0 315.244 3.341 10 0 DGAERO COc1cccc(C[NH2+][C@@H](Cc2ccccc2)CN(C)C)c1F ZINC000192671833 546235353 /nfs/dbraw/zinc/23/53/53/546235353.db2.gz CJZBHJTWIMMUCD-KRWDZBQOSA-N 1 0 316.420 3.097 10 0 DGAERO COc1cccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c1F ZINC000192704651 546236353 /nfs/dbraw/zinc/23/63/53/546236353.db2.gz CSMIDWWXOPGWEM-LPHOPBHVSA-N 1 0 314.404 3.369 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)c1ccn(C)c1C)c1ccsc1 ZINC000195107030 546252110 /nfs/dbraw/zinc/25/21/10/546252110.db2.gz KYNWYQZQZWTBEW-MRXNPFEDSA-N 1 0 319.474 3.208 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000225807551 546268117 /nfs/dbraw/zinc/26/81/17/546268117.db2.gz NJLHUJZQXVJABL-VHSXEESVSA-N 1 0 323.289 3.426 10 0 DGAERO CC(C)CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245640741 546298237 /nfs/dbraw/zinc/29/82/37/546298237.db2.gz KMTXCOHJJJQCLK-IRXDYDNUSA-N 1 0 303.450 3.119 10 0 DGAERO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)(C)C ZINC000248391509 546316667 /nfs/dbraw/zinc/31/66/67/546316667.db2.gz CJBIOWYJPXGTLC-ZNMIVQPWSA-N 1 0 309.498 3.373 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000261637177 546337760 /nfs/dbraw/zinc/33/77/60/546337760.db2.gz CHEKGIJPZPBJJA-CZUORRHYSA-N 1 0 304.409 3.086 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000261754718 546338465 /nfs/dbraw/zinc/33/84/65/546338465.db2.gz NAEJOPLFSWUHSG-ZIAGYGMSSA-N 1 0 304.438 3.161 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000261808097 546338474 /nfs/dbraw/zinc/33/84/74/546338474.db2.gz ROJPDCGZIBNQQL-CRAIPNDOSA-N 1 0 318.436 3.472 10 0 DGAERO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261771283 546338496 /nfs/dbraw/zinc/33/84/96/546338496.db2.gz OIWTWUXEKRLPDR-ZMSDIMECSA-N 1 0 318.461 3.164 10 0 DGAERO CC(C)(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261875775 546339253 /nfs/dbraw/zinc/33/92/53/546339253.db2.gz YLGUWUDEINQTDM-IAGOWNOFSA-N 1 0 302.462 3.436 10 0 DGAERO CCCOc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261873159 546339280 /nfs/dbraw/zinc/33/92/80/546339280.db2.gz YCUITOUKXSKLFF-YSVLISHTSA-N 1 0 304.434 3.028 10 0 DGAERO FC(F)(F)c1cnc(N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000302788958 546437382 /nfs/dbraw/zinc/43/73/82/546437382.db2.gz XSPAVYCNPYRMCC-UHFFFAOYSA-N 1 0 319.396 3.474 10 0 DGAERO O=C(CCC[NH2+]Cc1cc(Cl)sc1Cl)NC1CC1 ZINC000312624160 546453547 /nfs/dbraw/zinc/45/35/47/546453547.db2.gz ZBDHCEGDLUUTAL-UHFFFAOYSA-N 1 0 307.246 3.203 10 0 DGAERO C[C@H](CC[NH2+]Cc1cc(Cl)sc1Cl)[S@@](C)=O ZINC000312601336 546453566 /nfs/dbraw/zinc/45/35/66/546453566.db2.gz LZFUBEATAAXGPW-VGDKGRGNSA-N 1 0 300.276 3.302 10 0 DGAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1CCc2ccccc2C1 ZINC000333265023 546505184 /nfs/dbraw/zinc/50/51/84/546505184.db2.gz FJSPUMYSHRJIDI-SFHVURJKSA-N 1 0 321.424 3.011 10 0 DGAERO Cc1ccnc(-c2noc(C[N@@H+]3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)n2)c1 ZINC000333681342 546509758 /nfs/dbraw/zinc/50/97/58/546509758.db2.gz LHLIIZVBSGAXHD-GJRWTSMGSA-N 1 0 324.428 3.308 10 0 DGAERO Cc1cc(C[NH2+]CCc2ccc(Br)s2)on1 ZINC000381072289 546737460 /nfs/dbraw/zinc/73/74/60/546737460.db2.gz ORDGBOSHULOFBE-UHFFFAOYSA-N 1 0 301.209 3.139 10 0 DGAERO CC[C@H](C)[C@@H](C[NH2+][C@H]1CCOC2(CCSCC2)C1)OC ZINC000381159227 546739245 /nfs/dbraw/zinc/73/92/45/546739245.db2.gz NJBQJRCHNVLCQD-SOUVJXGZSA-N 1 0 301.496 3.082 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(O)c2ccccc2c1 ZINC000471751022 546901828 /nfs/dbraw/zinc/90/18/28/546901828.db2.gz PAZYECDTAWSMLU-CQSZACIVSA-N 1 0 312.413 3.150 10 0 DGAERO c1nc(C2CC2)c(C[NH2+]Cc2cnn(-c3ccccc3)c2)s1 ZINC000486924175 546915005 /nfs/dbraw/zinc/91/50/05/546915005.db2.gz CHPUJJNBAWGAQG-UHFFFAOYSA-N 1 0 310.426 3.496 10 0 DGAERO COCCOCC[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000531695458 546978674 /nfs/dbraw/zinc/97/86/74/546978674.db2.gz XIYONPANNLZWCL-IBGZPJMESA-N 1 0 305.462 3.431 10 0 DGAERO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000588489576 547026976 /nfs/dbraw/zinc/02/69/76/547026976.db2.gz NDXONHSAJLBCFL-KYVUIXNKSA-N 1 0 300.377 3.304 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000588619517 547027003 /nfs/dbraw/zinc/02/70/03/547027003.db2.gz XIRXCNCABGDLED-XCTGESOMSA-N 1 0 321.424 3.270 10 0 DGAERO COc1ccccc1[C@@H]1C[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675055859 548148778 /nfs/dbraw/zinc/14/87/78/548148778.db2.gz ZZWOBKGACOBNRH-OCCSQVGLSA-N 1 0 306.406 3.095 10 0 DGAERO Brc1cccc(-c2cnnn2[C@@H]2CCC[NH2+]CC2)c1 ZINC000725266172 549811842 /nfs/dbraw/zinc/81/18/42/549811842.db2.gz UCFLPKQEHBYLIN-CYBMUJFWSA-N 1 0 321.222 3.022 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2F)C1 ZINC000675053549 563860298 /nfs/dbraw/zinc/86/02/98/563860298.db2.gz IYLFPHDPMPYUDD-BXUZGUMPSA-N 1 0 312.360 3.283 10 0 DGAERO C[C@@H]1CCN(c2ncc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000261543795 574527734 /nfs/dbraw/zinc/52/77/34/574527734.db2.gz UZQFKQACTWVMOO-SCZZXKLOSA-N 1 0 318.646 3.061 10 0 DGAERO CC(C)(C)OC(=O)NC1CCC2(CC1)[NH2+]CCc1occc12 ZINC000724099562 563496111 /nfs/dbraw/zinc/49/61/11/563496111.db2.gz ITXGQKPRYPEADT-UHFFFAOYSA-N 1 0 306.406 3.088 10 0 DGAERO CCCCCCOCC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000730773910 574535916 /nfs/dbraw/zinc/53/59/16/574535916.db2.gz LGAHCQBTMMUVGK-YESZJQIVSA-N 1 0 312.498 3.066 10 0 DGAERO CCOC(=O)c1cn(C[N@H+](C)[C@@H](C)C(C)C)nc1C(F)(F)F ZINC000731495142 574550913 /nfs/dbraw/zinc/55/09/13/574550913.db2.gz VYFMQONTXYIAQA-JTQLQIEISA-N 1 0 321.343 3.012 10 0 DGAERO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000731676337 574556301 /nfs/dbraw/zinc/55/63/01/574556301.db2.gz MOYIFKGJQMRYNB-OALUTQOASA-N 1 0 306.409 3.377 10 0 DGAERO C/C(=C\C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(F)c1 ZINC000731985029 574564120 /nfs/dbraw/zinc/56/41/20/574564120.db2.gz NFLUPMPOJZOQOJ-UKTHLTGXSA-N 1 0 322.343 3.448 10 0 DGAERO C/C(=C\C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc(F)c1 ZINC000732058917 574565755 /nfs/dbraw/zinc/56/57/55/574565755.db2.gz XHUJAIGYYVCXFV-AMKQFNALSA-N 1 0 318.436 3.466 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000741777878 574639609 /nfs/dbraw/zinc/63/96/09/574639609.db2.gz DNAAMAULXDFBJA-KRWDZBQOSA-N 1 0 305.418 3.073 10 0 DGAERO S=C(NCc1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000737460362 574845702 /nfs/dbraw/zinc/84/57/02/574845702.db2.gz FVLYGEAHFNDSLJ-UHFFFAOYSA-N 1 0 317.502 3.011 10 0 DGAERO CCCNC(=S)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000741499545 574960124 /nfs/dbraw/zinc/96/01/24/574960124.db2.gz UETNQLNXIUZIBW-OCCSQVGLSA-N 1 0 311.520 3.005 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@H](C)Cc2ccc(F)cc2)CC1 ZINC000742098715 574980896 /nfs/dbraw/zinc/98/08/96/574980896.db2.gz XRKVCBCWBRHXJS-OAHLLOKOSA-N 1 0 320.452 3.243 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)/C=C\c2ccccc2F)CC1 ZINC000742098089 574980977 /nfs/dbraw/zinc/98/09/77/574980977.db2.gz HDEYRZMHJAMTIQ-FPLPWBNLSA-N 1 0 304.409 3.077 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000742098714 574981103 /nfs/dbraw/zinc/98/11/03/574981103.db2.gz XRKVCBCWBRHXJS-HNNXBMFYSA-N 1 0 320.452 3.243 10 0 DGAERO COCCn1cc(C[NH2+]C(C2CCCC2)C2CCCC2)cn1 ZINC000742372180 575840503 /nfs/dbraw/zinc/84/05/03/575840503.db2.gz TXTZQCMQBYMZBV-UHFFFAOYSA-N 1 0 305.466 3.368 10 0 DGAERO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000393601705 575904607 /nfs/dbraw/zinc/90/46/07/575904607.db2.gz UNEDRMPXMJHGFD-QFBILLFUSA-N 1 0 302.462 3.198 10 0 DGAERO c1cc2c(ccnc2NC2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000725787011 575913809 /nfs/dbraw/zinc/91/38/09/575913809.db2.gz CESPYZNXGJZMFK-AWEZNQCLSA-N 1 0 317.458 3.352 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cncs1 ZINC000398111527 575960797 /nfs/dbraw/zinc/96/07/97/575960797.db2.gz NYOKRQZPXYRHQY-PBHICJAKSA-N 1 0 301.459 3.143 10 0 DGAERO S=C(NCc1ccccc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000727701121 576141356 /nfs/dbraw/zinc/14/13/56/576141356.db2.gz PVFVTNLTZGTICR-KRWDZBQOSA-N 1 0 317.502 3.011 10 0 DGAERO C/C(=C\C(=O)NCCC[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000727863763 576150430 /nfs/dbraw/zinc/15/04/30/576150430.db2.gz JARCAQDUSLUUGK-VGOFMYFVSA-N 1 0 304.478 3.217 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@H]2CSCCS2)ccc1F ZINC000154182550 620645819 /nfs/dbraw/zinc/64/58/19/620645819.db2.gz FUEBVSOGOZZFLK-JQWIXIFHSA-N 1 0 301.452 3.334 10 0 DGAERO COC(=O)c1cc2ccccc2cc1NC(=O)CCCCC[NH3+] ZINC000154383313 620666965 /nfs/dbraw/zinc/66/69/65/620666965.db2.gz WHHJDGBCYPEFLL-UHFFFAOYSA-N 1 0 314.385 3.084 10 0 DGAERO Clc1cc(CN2CC[NH+](CC3CC3)CC2)c2ccccc2n1 ZINC000154621310 620694779 /nfs/dbraw/zinc/69/47/79/620694779.db2.gz JPNKDBRRODCEAV-UHFFFAOYSA-N 1 0 315.848 3.416 10 0 DGAERO CC[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc2c(c1)CCO2 ZINC000154759382 620716177 /nfs/dbraw/zinc/71/61/77/620716177.db2.gz KFCLKVRTSSTZBL-QGZVFWFLSA-N 1 0 311.429 3.323 10 0 DGAERO Cc1cc(C[C@H]([NH3+])[C@H](C)NC(=O)OC(C)(C)C)ccc1Cl ZINC000757147276 617653682 /nfs/dbraw/zinc/65/36/82/617653682.db2.gz SZTIPXWTPDFKDG-FZMZJTMJSA-N 1 0 312.841 3.431 10 0 DGAERO CCn1cc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000112097774 618036105 /nfs/dbraw/zinc/03/61/05/618036105.db2.gz LZOZMSHMOKLDFV-IBGZPJMESA-N 1 0 312.461 3.047 10 0 DGAERO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000223632015 618625414 /nfs/dbraw/zinc/62/54/14/618625414.db2.gz QVYAHDMUDPEZAZ-HUYFXPKMSA-N 1 0 312.207 3.219 10 0 DGAERO O[C@@H](C[NH2+]C[C@@H]1CCCS1)c1ccc(C(F)(F)F)cc1 ZINC000149947530 619121672 /nfs/dbraw/zinc/12/16/72/619121672.db2.gz WFJBIMCBZOQBQA-STQMWFEESA-N 1 0 305.365 3.224 10 0 DGAERO CC(C)C[C@@H]([NH3+])Cc1nc(Cc2cccc(Cl)c2F)no1 ZINC000212783700 620530545 /nfs/dbraw/zinc/53/05/45/620530545.db2.gz FVTGOHSZRVXUKF-LLVKDONJSA-N 1 0 311.788 3.369 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)ccc1F ZINC000153257939 620544837 /nfs/dbraw/zinc/54/48/37/620544837.db2.gz MPDFSDGNMXQIFC-MEDUHNTESA-N 1 0 307.340 3.358 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(O)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000153433044 620563674 /nfs/dbraw/zinc/56/36/74/620563674.db2.gz NKZXASNAARIRBH-LLVKDONJSA-N 1 0 303.333 3.153 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccccc1Cl ZINC000113229352 620888247 /nfs/dbraw/zinc/88/82/47/620888247.db2.gz HKENDTHCTWKWNM-UKQHYNNHSA-N 1 0 304.821 3.048 10 0 DGAERO CCC[N@H+](C[C@@H]1CCCCO1)Cn1cnc(-c2ccccc2)n1 ZINC000117863864 621461516 /nfs/dbraw/zinc/46/15/16/621461516.db2.gz TYSSISWDYMDMHS-KRWDZBQOSA-N 1 0 314.433 3.184 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc2ccccc2c1 ZINC000126676257 624000222 /nfs/dbraw/zinc/00/02/22/624000222.db2.gz MPCPUFGDLAKPJF-DYVFJYSZSA-N 1 0 303.427 3.068 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc2ccccc21 ZINC000126782452 624085737 /nfs/dbraw/zinc/08/57/37/624085737.db2.gz QARDVXAQZVFIGZ-DZGCQCFKSA-N 1 0 303.427 3.068 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000130519950 625864929 /nfs/dbraw/zinc/86/49/29/625864929.db2.gz IYZKHEQUNYBVLO-CYBMUJFWSA-N 1 0 321.852 3.268 10 0 DGAERO Cc1cc(Br)cc(C[NH2+]CCN2CCCCC2)c1 ZINC000130905329 625915615 /nfs/dbraw/zinc/91/56/15/625915615.db2.gz VZUNHNQBOOETIT-UHFFFAOYSA-N 1 0 311.267 3.333 10 0 DGAERO Cc1cc(C[C@H]([NH3+])C2CN(C(=O)OC(C)(C)C)C2)ccc1Cl ZINC000757156103 626751486 /nfs/dbraw/zinc/75/14/86/626751486.db2.gz HQHRFMDPISVZJB-HNNXBMFYSA-N 1 0 324.852 3.385 10 0 DGAERO CC(C)[C@@H]([NH3+])CCN(C)Cc1cccc(F)c1Br ZINC000133524456 626803512 /nfs/dbraw/zinc/80/35/12/626803512.db2.gz BONZUTNUSLBICV-ZDUSSCGKSA-N 1 0 317.246 3.393 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)Cc1cccc(F)c1Br ZINC000133524268 626803942 /nfs/dbraw/zinc/80/39/42/626803942.db2.gz BONZUTNUSLBICV-CYBMUJFWSA-N 1 0 317.246 3.393 10 0 DGAERO C[NH+](C)C1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134328461 626872730 /nfs/dbraw/zinc/87/27/30/626872730.db2.gz RRGRVADVKIXIDE-HNNXBMFYSA-N 1 0 317.260 3.053 10 0 DGAERO C[NH+](C)C1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134328485 626872746 /nfs/dbraw/zinc/87/27/46/626872746.db2.gz RRGRVADVKIXIDE-OAHLLOKOSA-N 1 0 317.260 3.053 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000220406082 627196717 /nfs/dbraw/zinc/19/67/17/627196717.db2.gz ZUOXFOABRGNMKW-MELADBBJSA-N 1 0 323.437 3.470 10 0 DGAERO Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000220932464 627212105 /nfs/dbraw/zinc/21/21/05/627212105.db2.gz QYBJJNLCXGWTTA-ZDUSSCGKSA-N 1 0 323.437 3.281 10 0 DGAERO CCOc1ccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)cc1 ZINC000221050631 627213231 /nfs/dbraw/zinc/21/32/31/627213231.db2.gz VJUKXVYPMCMLGG-UHFFFAOYSA-N 1 0 322.449 3.478 10 0 DGAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccc(F)cc1F ZINC000221050293 627213284 /nfs/dbraw/zinc/21/32/84/627213284.db2.gz SORMKPAIEUQQIN-UHFFFAOYSA-N 1 0 314.376 3.358 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000223127562 627279254 /nfs/dbraw/zinc/27/92/54/627279254.db2.gz AINJKONMZVRJRA-OAHLLOKOSA-N 1 0 308.397 3.317 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)CC2 ZINC000223129692 627279387 /nfs/dbraw/zinc/27/93/87/627279387.db2.gz QTEOBUIKHRSUFY-INIZCTEOSA-N 1 0 304.434 3.487 10 0 DGAERO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000184988023 660197247 /nfs/dbraw/zinc/19/72/47/660197247.db2.gz JZYUCAXDWXJCAL-SUMWQHHRSA-N 1 0 309.417 3.203 10 0 DGAERO CC[C@H]([NH2+]CCC(=O)OCc1ccccc1)c1nccs1 ZINC000185083100 660200725 /nfs/dbraw/zinc/20/07/25/660200725.db2.gz BJABMANOWSHXBO-AWEZNQCLSA-N 1 0 304.415 3.317 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC(C2OCCO2)CC1 ZINC000185290903 660214474 /nfs/dbraw/zinc/21/44/74/660214474.db2.gz WZUFKNGUKJWPNA-UHFFFAOYSA-N 1 0 312.413 3.441 10 0 DGAERO C/C=C(/CC)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000189682974 660352336 /nfs/dbraw/zinc/35/23/36/660352336.db2.gz JZBNAOAXWKUGQQ-DXNYSGJVSA-N 1 0 306.837 3.171 10 0 DGAERO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717960920 662213362 /nfs/dbraw/zinc/21/33/62/662213362.db2.gz GGCFXCHLDJXFHS-MRVPVSSYSA-N 1 0 310.341 3.116 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2csc(C(C)(C)C)n2)CCSC1 ZINC000719301712 662273523 /nfs/dbraw/zinc/27/35/23/662273523.db2.gz KLKMKOUSMVGEGO-CQSZACIVSA-N 1 0 300.493 3.052 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000700080759 660612081 /nfs/dbraw/zinc/61/20/81/660612081.db2.gz LHUOSWASYCLSPI-LUNDOBRRSA-N 1 0 308.466 3.458 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000700349402 660621669 /nfs/dbraw/zinc/62/16/69/660621669.db2.gz VTXBCNQYAQNNKX-MWLCHTKSSA-N 1 0 308.834 3.283 10 0 DGAERO [NH3+]CC1(CCNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000700363821 660622030 /nfs/dbraw/zinc/62/20/30/660622030.db2.gz QTDJZBBBUJBEAR-UHFFFAOYSA-N 1 0 308.834 3.414 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000701735322 660681872 /nfs/dbraw/zinc/68/18/72/660681872.db2.gz RSXGXLCKLWVLFK-YWPYICTPSA-N 1 0 318.408 3.457 10 0 DGAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccncc1 ZINC000701856888 660690471 /nfs/dbraw/zinc/69/04/71/660690471.db2.gz ZCCZQVKFRANSJR-VNSJNIRKSA-N 1 0 317.433 3.132 10 0 DGAERO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000701918398 660691494 /nfs/dbraw/zinc/69/14/94/660691494.db2.gz FEXNSSANNBPIAR-UPJWGTAASA-N 1 0 302.484 3.116 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000701935030 660692928 /nfs/dbraw/zinc/69/29/28/660692928.db2.gz LTNSCQCBWKXMDA-XQQFMLRXSA-N 1 0 318.408 3.315 10 0 DGAERO O[C@@H](C[NH2+]CC[C@@H]1CC1(F)F)c1cccc(Br)c1 ZINC000701954739 660693417 /nfs/dbraw/zinc/69/34/17/660693417.db2.gz GMADNGZDOPAGRF-PWSUYJOCSA-N 1 0 320.177 3.117 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CC2(F)F)CN1C(=O)OC(C)(C)C ZINC000701953793 660693513 /nfs/dbraw/zinc/69/35/13/660693513.db2.gz ZGTPLPBZZASBFD-FRRDWIJNSA-N 1 0 318.408 3.409 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000701957215 660694044 /nfs/dbraw/zinc/69/40/44/660694044.db2.gz ZJHRLGTXKXHQDS-XQQFMLRXSA-N 1 0 318.408 3.409 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000701992215 660696650 /nfs/dbraw/zinc/69/66/50/660696650.db2.gz GQLVBRXEYJWWCG-RFQIPJPRSA-N 1 0 314.495 3.306 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000702395699 660721953 /nfs/dbraw/zinc/72/19/53/660721953.db2.gz XSEGBBIAOZNEBK-FRRDWIJNSA-N 1 0 305.365 3.222 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000702517807 660728283 /nfs/dbraw/zinc/72/82/83/660728283.db2.gz DUECXOSKFDVJMZ-INIZCTEOSA-N 1 0 320.408 3.269 10 0 DGAERO C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000702644344 660734400 /nfs/dbraw/zinc/73/44/00/660734400.db2.gz GMZOLPNOYLXFJY-CYBMUJFWSA-N 1 0 302.434 3.361 10 0 DGAERO C[C@]1(C[NH2+]C2CCC(C)(O)CC2)CCCN1Cc1ccccc1 ZINC000702994045 660752068 /nfs/dbraw/zinc/75/20/68/660752068.db2.gz MKOXCZFZXYPNKR-IOJLRTSASA-N 1 0 316.489 3.324 10 0 DGAERO C[C@H]([NH2+]CCc1ccoc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000703029781 660755312 /nfs/dbraw/zinc/75/53/12/660755312.db2.gz YUWGQTOINWXJMA-HOCLYGCPSA-N 1 0 322.449 3.447 10 0 DGAERO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCC1SCCS1 ZINC000703310695 660777173 /nfs/dbraw/zinc/77/71/73/660777173.db2.gz IPBDXCQKZTZZIO-GFCCVEGCSA-N 1 0 310.488 3.190 10 0 DGAERO C[C@H]1[C@H]([NH2+]CCC2SCCS2)CCN1Cc1ccccc1 ZINC000703346274 660777412 /nfs/dbraw/zinc/77/74/12/660777412.db2.gz DKFTVZXMQQHYOD-GOEBONIOSA-N 1 0 322.543 3.435 10 0 DGAERO C[C@@H]([NH2+]Cc1ccncc1Cl)[C@H](C)NC(=O)OC(C)(C)C ZINC000704375301 660808659 /nfs/dbraw/zinc/80/86/59/660808659.db2.gz RJVDYFAFJFIROD-MNOVXSKESA-N 1 0 313.829 3.126 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]Cc2cccc(O)c2)CCN1C(=O)OC(C)(C)C ZINC000704651455 660813897 /nfs/dbraw/zinc/81/38/97/660813897.db2.gz NMCINRCFHASWNJ-JKSUJKDBSA-N 1 0 320.433 3.270 10 0 DGAERO c1ccc(CN2CCC([NH2+]CC[C@@H]3CCSC3)CC2)cc1 ZINC000704848678 660822434 /nfs/dbraw/zinc/82/24/34/660822434.db2.gz ZTRCGRKCORSUSU-QGZVFWFLSA-N 1 0 304.503 3.384 10 0 DGAERO C[C@]12CN(C(=O)c3ccco3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000705934478 660839932 /nfs/dbraw/zinc/83/99/32/660839932.db2.gz QFIHLSIHZKXECS-PMACEKPBSA-N 1 0 324.424 3.264 10 0 DGAERO CCC[C@@H](C)C[NH2+]C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000705610193 660837759 /nfs/dbraw/zinc/83/77/59/660837759.db2.gz YGUBDCNKENLLEM-CQSZACIVSA-N 1 0 314.470 3.086 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccccn2)CCCCC1 ZINC000705538943 660837772 /nfs/dbraw/zinc/83/77/72/660837772.db2.gz QKPLKBPVWMIPGU-UHFFFAOYSA-N 1 0 319.449 3.399 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000708715435 660922533 /nfs/dbraw/zinc/92/25/33/660922533.db2.gz ISDYNCGWQIOZAW-OKILXGFUSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@H]([NH2+]Cc1c(Br)cnn1C)[C@@]12C[C@@H]1CCCC2 ZINC000709146862 660924272 /nfs/dbraw/zinc/92/42/72/660924272.db2.gz HFZRBXZTRAJGFV-COPLHBTASA-N 1 0 312.255 3.241 10 0 DGAERO CC1(C)C[NH2+]C[C@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000711170006 660940655 /nfs/dbraw/zinc/94/06/55/660940655.db2.gz UBERLCSUWHPFCD-NSHDSACASA-N 1 0 322.206 3.212 10 0 DGAERO FC(F)(F)Oc1ccc(C[NH2+]CCc2ccns2)cc1 ZINC000709981193 660931741 /nfs/dbraw/zinc/93/17/41/660931741.db2.gz CHLZDWXZAORAJL-UHFFFAOYSA-N 1 0 302.321 3.374 10 0 DGAERO CN(CCCCCC[NH3+])C(=O)c1cccn1Cc1ccccc1 ZINC000710695302 660932590 /nfs/dbraw/zinc/93/25/90/660932590.db2.gz SXJMJQPJFAMKIL-UHFFFAOYSA-N 1 0 313.445 3.128 10 0 DGAERO CC[C@@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)CC(F)(F)F ZINC000710915377 660936578 /nfs/dbraw/zinc/93/65/78/660936578.db2.gz HRBBYIZQQYFDFW-LLVKDONJSA-N 1 0 324.387 3.422 10 0 DGAERO C[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CS1 ZINC000711477090 660954025 /nfs/dbraw/zinc/95/40/25/660954025.db2.gz CWHFXFHGVAEJLY-XDQVBPFNSA-N 1 0 314.495 3.163 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711354708 660948144 /nfs/dbraw/zinc/94/81/44/660948144.db2.gz NLKCAWDOTITWTR-HIFRSBDPSA-N 1 0 323.234 3.228 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000711404350 660950172 /nfs/dbraw/zinc/95/01/72/660950172.db2.gz KVNGCWJCFHRGMV-UHFFFAOYSA-N 1 0 314.813 3.326 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000711405126 660950310 /nfs/dbraw/zinc/95/03/10/660950310.db2.gz MRKJKWIQKUATST-UHOFOFEASA-N 1 0 308.466 3.458 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000711437892 660952439 /nfs/dbraw/zinc/95/24/39/660952439.db2.gz AYBZZFMXOWOKEZ-LJIZCISZSA-N 1 0 308.466 3.316 10 0 DGAERO CCSCC[C@H](C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711442392 660953093 /nfs/dbraw/zinc/95/30/93/660953093.db2.gz MSNVVIPXZMTNPZ-HSBZDZAISA-N 1 0 316.511 3.411 10 0 DGAERO CC(C)OCC(C)(C)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711449348 660953723 /nfs/dbraw/zinc/95/37/23/660953723.db2.gz IVIBYKYYXNDAAR-OKILXGFUSA-N 1 0 314.470 3.083 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000711476618 660953995 /nfs/dbraw/zinc/95/39/95/660953995.db2.gz XXJOHVDXXJQQME-OWYFMNJBSA-N 1 0 308.466 3.316 10 0 DGAERO Brc1ccoc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711832640 660963821 /nfs/dbraw/zinc/96/38/21/660963821.db2.gz KJEQZZJWONULLG-FZMZJTMJSA-N 1 0 314.223 3.337 10 0 DGAERO CC(C)(C[NH2+][C@@H](C1CCC1)C1CCCC1)CS(C)(=O)=O ZINC000711843513 660964321 /nfs/dbraw/zinc/96/43/21/660964321.db2.gz VXPXWSXSICXVNO-OAHLLOKOSA-N 1 0 301.496 3.006 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000711486808 660955150 /nfs/dbraw/zinc/95/51/50/660955150.db2.gz XXJOHVDXXJQQME-XJGFBQBWSA-N 1 0 308.466 3.316 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000711502544 660955507 /nfs/dbraw/zinc/95/55/07/660955507.db2.gz AWBBSXATQYAYFY-SDDRHHMPSA-N 1 0 304.381 3.067 10 0 DGAERO Cc1cc(C[NH2+][C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)on1 ZINC000711642475 660961091 /nfs/dbraw/zinc/96/10/91/660961091.db2.gz VORXQSOMYXCVAX-YOEHRIQHSA-N 1 0 321.421 3.005 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cscn3)CCC[C@@H]12 ZINC000711651489 660961569 /nfs/dbraw/zinc/96/15/69/660961569.db2.gz SQNFYHUPLZIQAI-CJNGLKHVSA-N 1 0 323.462 3.165 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000254913701 655542997 /nfs/dbraw/zinc/54/29/97/655542997.db2.gz XWVVDJCNIPBSPI-HHQZKXIDSA-N 1 0 312.866 3.260 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2OC)cc1Br ZINC000049949128 655627269 /nfs/dbraw/zinc/62/72/69/655627269.db2.gz RECVURXCRZOOPJ-OCCSQVGLSA-N 1 0 314.223 3.115 10 0 DGAERO C(=C\c1ccccc1)\C[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC000096833591 655699951 /nfs/dbraw/zinc/69/99/51/655699951.db2.gz QWSGHZIFWSLHAU-YWEYNIOJSA-N 1 0 307.441 3.303 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000097093718 655720491 /nfs/dbraw/zinc/72/04/91/655720491.db2.gz HQKWSIBRDGKURL-DTWKUNHWSA-N 1 0 304.337 3.364 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000255384628 655723701 /nfs/dbraw/zinc/72/37/01/655723701.db2.gz CMJZBFOWPZKJEO-OTWHNJEPSA-N 1 0 308.425 3.209 10 0 DGAERO CC(C)(C[NH2+]Cc1ccc(Cl)cc1Cl)CS(C)(=O)=O ZINC000723850453 655725024 /nfs/dbraw/zinc/72/50/24/655725024.db2.gz LFILLSWGLYVFDO-UHFFFAOYSA-N 1 0 324.273 3.154 10 0 DGAERO C(=C\c1ccccc1)\CN1CC[NH+](CCCc2cccnc2)CC1 ZINC000217903754 655727524 /nfs/dbraw/zinc/72/75/24/655727524.db2.gz KVMALRFQAXQMFE-YHYXMXQVSA-N 1 0 321.468 3.345 10 0 DGAERO CC(C)(C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)CS(C)(=O)=O ZINC000723880005 655727910 /nfs/dbraw/zinc/72/79/10/655727910.db2.gz WTUBTSMLYAQRKW-QLFBSQMISA-N 1 0 301.496 3.006 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc(Br)o1)[C@H]1CCCOC1 ZINC000724015329 655736678 /nfs/dbraw/zinc/73/66/78/655736678.db2.gz TWZRPQALLUHACO-JQWIXIFHSA-N 1 0 302.212 3.337 10 0 DGAERO CCC(F)(F)C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724050357 655739071 /nfs/dbraw/zinc/73/90/71/655739071.db2.gz WLRISWGVVPCQKO-NEPJUHHUSA-N 1 0 306.397 3.315 10 0 DGAERO CSCC1CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724078089 655740249 /nfs/dbraw/zinc/74/02/49/655740249.db2.gz KFKVWPRDNBROBZ-SNVBAGLBSA-N 1 0 321.355 3.010 10 0 DGAERO C/C(=C\C(=O)N1CCC([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000176340003 655748181 /nfs/dbraw/zinc/74/81/81/655748181.db2.gz WEBQSKNZTRQXIL-ACCUITESSA-N 1 0 306.837 3.296 10 0 DGAERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1Cl ZINC000724315338 655754218 /nfs/dbraw/zinc/75/42/18/655754218.db2.gz WIMJMFPRWMGPRD-WODVXLOZSA-N 1 0 313.850 3.099 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000255471641 655757539 /nfs/dbraw/zinc/75/75/39/655757539.db2.gz UGNISEYHMMBNAI-SMJJZDGSSA-N 1 0 316.420 3.172 10 0 DGAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)C[C@H](C)c2ccccc2)C1 ZINC000255562483 655801446 /nfs/dbraw/zinc/80/14/46/655801446.db2.gz TVBAQTFGRFOKNF-FUHWJXTLSA-N 1 0 319.445 3.080 10 0 DGAERO Cn1cc(C[NH2+]CC(C)(C)C2=CCCC2)c(Br)n1 ZINC000712398654 661188211 /nfs/dbraw/zinc/18/82/11/661188211.db2.gz XAXLJDIZTXWDAM-UHFFFAOYSA-N 1 0 312.255 3.409 10 0 DGAERO C[C@H]([NH2+]Cc1cn(C)nc1Br)[C@]12C[C@H]1CCCC2 ZINC000712491113 661189081 /nfs/dbraw/zinc/18/90/81/661189081.db2.gz LVYROEJMDQQWRX-SUHUHFCYSA-N 1 0 312.255 3.241 10 0 DGAERO CCC1([NH2+]Cc2cn(C)nc2Br)CCCCC1 ZINC000712483093 661189122 /nfs/dbraw/zinc/18/91/22/661189122.db2.gz TWOURXLQAGAHDC-UHFFFAOYSA-N 1 0 300.244 3.385 10 0 DGAERO C[C@@H](C[C@H]1CCOC1)[NH2+]CCc1sccc1Br ZINC000713033675 661189904 /nfs/dbraw/zinc/18/99/04/661189904.db2.gz BBVXQNIDPRFZME-WDEREUQCSA-N 1 0 318.280 3.458 10 0 DGAERO CO[C@H]1CCC[C@H]1[NH2+]CCc1sccc1Br ZINC000713015840 661189906 /nfs/dbraw/zinc/18/99/06/661189906.db2.gz QDLYKXYOIZLZLO-MNOVXSKESA-N 1 0 304.253 3.210 10 0 DGAERO C[C@H]1CSC[C@H]1[NH2+]CCc1sccc1Br ZINC000713079119 661190281 /nfs/dbraw/zinc/19/02/81/661190281.db2.gz XYJPCTQGMXPRDC-WCBMZHEXSA-N 1 0 306.294 3.394 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)/C=C\c2cccs2)ccc1F ZINC000255572638 655820085 /nfs/dbraw/zinc/82/00/85/655820085.db2.gz WAPGXBJMCJWJEY-VURMDHGXSA-N 1 0 318.417 3.278 10 0 DGAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721558680 655825032 /nfs/dbraw/zinc/82/50/32/655825032.db2.gz BDKAFQXHINRJOM-MCIONIFRSA-N 1 0 314.470 3.083 10 0 DGAERO Cc1cc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc(C)c1Br ZINC000713394227 661191212 /nfs/dbraw/zinc/19/12/12/661191212.db2.gz PVLHSZDSUCEJHM-ZETOZRRWSA-N 1 0 323.234 3.132 10 0 DGAERO CCCCCCOc1cc(C)ccc1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000161948938 655833165 /nfs/dbraw/zinc/83/31/65/655833165.db2.gz BHYGZEYGGDZNDV-QGZVFWFLSA-N 1 0 318.461 3.180 10 0 DGAERO Brc1cnc(C[NH2+][C@@H]2CCCSCC2)s1 ZINC000713638018 661192672 /nfs/dbraw/zinc/19/26/72/661192672.db2.gz ONZWUOXTJZUXQK-MRVPVSSYSA-N 1 0 307.282 3.281 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000724977346 655841802 /nfs/dbraw/zinc/84/18/02/655841802.db2.gz WHMLNFRONQHBPE-PKZXDQLHSA-N 1 0 322.246 3.198 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)c(Br)n1 ZINC000713873848 661195252 /nfs/dbraw/zinc/19/52/52/661195252.db2.gz LIMAQMIORXPFAJ-ZDUSSCGKSA-N 1 0 312.255 3.337 10 0 DGAERO COCC1CC([NH2+]Cc2c(F)cccc2Br)C1 ZINC000713960840 661195549 /nfs/dbraw/zinc/19/55/49/661195549.db2.gz QLNAGFUROFYXIG-UHFFFAOYSA-N 1 0 302.187 3.103 10 0 DGAERO CCSCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000309657465 655869532 /nfs/dbraw/zinc/86/95/32/655869532.db2.gz KGWNEUDLKTVLRT-UHFFFAOYSA-N 1 0 302.484 3.165 10 0 DGAERO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000714335109 661198587 /nfs/dbraw/zinc/19/85/87/661198587.db2.gz PHOHMWAHEFMQDR-LBPRGKRZSA-N 1 0 322.257 3.050 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C(C)=C/c1ccc(F)cc1 ZINC000177030876 655888108 /nfs/dbraw/zinc/88/81/08/655888108.db2.gz XQKBEKRTHOYHCO-VSOYFRJCSA-N 1 0 304.409 3.172 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Cl)s1 ZINC000714377392 661199396 /nfs/dbraw/zinc/19/93/96/661199396.db2.gz VZPZCUPHWCBWOQ-NXEZZACHSA-N 1 0 307.868 3.019 10 0 DGAERO C[C@H]1C[C@H](NC(=O)c2ccc(-c3ccccc3)n2C)C[N@@H+]1C1CC1 ZINC000177051016 655890284 /nfs/dbraw/zinc/89/02/84/655890284.db2.gz HACKLDMVCDBRIC-HOCLYGCPSA-N 1 0 323.440 3.047 10 0 DGAERO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccn1C ZINC000177359095 655922565 /nfs/dbraw/zinc/92/25/65/655922565.db2.gz BGWMOLDVHQBFHA-KRWDZBQOSA-N 1 0 309.454 3.054 10 0 DGAERO Cc1cc(-c2noc([C@@H]3C[C@@H]3C[NH3+])n2)cc(C)c1Br ZINC000714772964 661203565 /nfs/dbraw/zinc/20/35/65/661203565.db2.gz IOQVWZUDNSGQMJ-GHMZBOCLSA-N 1 0 322.206 3.178 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C(/C)c1cccc(F)c1 ZINC000255870719 655930376 /nfs/dbraw/zinc/93/03/76/655930376.db2.gz RZAAAEOSIGOLMR-VWILAXROSA-N 1 0 304.409 3.172 10 0 DGAERO CO[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000309369287 655958687 /nfs/dbraw/zinc/95/86/87/655958687.db2.gz PCCLPDCWRSLFTF-GHMZBOCLSA-N 1 0 304.253 3.210 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000715211224 661209174 /nfs/dbraw/zinc/20/91/74/661209174.db2.gz OHDIAADPQIHDAA-ZYAQMDEOSA-N 1 0 323.170 3.011 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccc(Cl)cn1)N(C)C(=O)OC(C)(C)C ZINC000715721956 661214176 /nfs/dbraw/zinc/21/41/76/661214176.db2.gz PIGULZIGGOOQAM-NSHDSACASA-N 1 0 313.829 3.080 10 0 DGAERO CCc1cc(Br)ccc1NC(=O)C12CC[NH+](CC1)C2 ZINC000715862134 661215245 /nfs/dbraw/zinc/21/52/45/661215245.db2.gz YZOUSLUASYRMOA-UHFFFAOYSA-N 1 0 323.234 3.046 10 0 DGAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccns1 ZINC000716034637 661216652 /nfs/dbraw/zinc/21/66/52/661216652.db2.gz RQICOGCEYRZHAN-UNXYVOJBSA-N 1 0 311.451 3.097 10 0 DGAERO [NH3+]CCCN(Cc1ccccc1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716034920 661216783 /nfs/dbraw/zinc/21/67/83/661216783.db2.gz LVQVGOCYWKYSKD-ALOPSCKCSA-N 1 0 318.486 3.038 10 0 DGAERO FC(F)(F)[C@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CCO1 ZINC000716079319 661217011 /nfs/dbraw/zinc/21/70/11/661217011.db2.gz GOXVAUVXGYIOPC-FOMPKITHSA-N 1 0 309.397 3.360 10 0 DGAERO COC(=O)c1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cs1 ZINC000716070521 661217145 /nfs/dbraw/zinc/21/71/45/661217145.db2.gz RYWZHZIFQHPBRU-VGPLMAKISA-N 1 0 311.472 3.299 10 0 DGAERO C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1ccc(Cl)cc1Cl ZINC000716093607 661217537 /nfs/dbraw/zinc/21/75/37/661217537.db2.gz IOVNYTOCOGXFRY-PUSIOWJLSA-N 1 0 322.257 3.220 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)ccc1F ZINC000715974856 661217591 /nfs/dbraw/zinc/21/75/91/661217591.db2.gz GFSMOLFFKJPDQI-STQMWFEESA-N 1 0 311.397 3.274 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCO1)CCO2 ZINC000037215305 661221270 /nfs/dbraw/zinc/22/12/70/661221270.db2.gz VPZRVVCKNJHAMC-WCQYABFASA-N 1 0 312.207 3.041 10 0 DGAERO CC(C)n1ncnc1C[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000716360457 661223090 /nfs/dbraw/zinc/22/30/90/661223090.db2.gz MXZNTROATYWVTC-UHFFFAOYSA-N 1 0 313.232 3.498 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000716655117 661226255 /nfs/dbraw/zinc/22/62/55/661226255.db2.gz BABASUJQGAEFNS-OJTHXENHSA-N 1 0 308.466 3.171 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(F)cc1Br ZINC000716885678 661230069 /nfs/dbraw/zinc/23/00/69/661230069.db2.gz NXKUBDLSOYIHFB-JOYOIKCWSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000716884998 661230089 /nfs/dbraw/zinc/23/00/89/661230089.db2.gz JWFZAQCYGGCSEL-ONGXEEELSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(F)ccc1Br ZINC000716884535 661230112 /nfs/dbraw/zinc/23/01/12/661230112.db2.gz IUOHDTJNHMTENE-CABZTGNLSA-N 1 0 304.203 3.227 10 0 DGAERO CCc1ccc(CN2CC[NH+](C[C@@H]3CCC=CO3)CC2)s1 ZINC000193869519 656195395 /nfs/dbraw/zinc/19/53/95/656195395.db2.gz KCXCNPUUPGSXFJ-HNNXBMFYSA-N 1 0 306.475 3.121 10 0 DGAERO O=C(C[C@@H]1CCCOC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000195278818 656211723 /nfs/dbraw/zinc/21/17/23/656211723.db2.gz ZYVCZFZSZONYKC-INIZCTEOSA-N 1 0 302.418 3.038 10 0 DGAERO COC(=O)CC(C)(C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178394630 656259970 /nfs/dbraw/zinc/25/99/70/656259970.db2.gz CIKXZEXEMNVYLM-UHFFFAOYSA-N 1 0 318.186 3.020 10 0 DGAERO O[C@H](C[NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC000313544817 656290862 /nfs/dbraw/zinc/29/08/62/656290862.db2.gz CTMPRFHWGZYWLH-NHCUHLMSSA-N 1 0 324.468 3.364 10 0 DGAERO CC(C)c1ccc([C@H]([NH3+])CNC(=O)CSC(C)(C)C)cc1 ZINC000236758374 656366484 /nfs/dbraw/zinc/36/64/84/656366484.db2.gz PCTODMJAVBEOSN-OAHLLOKOSA-N 1 0 308.491 3.458 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)C1CC1 ZINC000717149194 661255750 /nfs/dbraw/zinc/25/57/50/661255750.db2.gz AIFGOEYNMXRUFE-DGCLKSJQSA-N 1 0 318.408 3.267 10 0 DGAERO [NH3+][C@@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000717153423 661255771 /nfs/dbraw/zinc/25/57/71/661255771.db2.gz LWGWVSCNLYPIGP-JOYOIKCWSA-N 1 0 310.722 3.191 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000037621771 661268118 /nfs/dbraw/zinc/26/81/18/661268118.db2.gz IVZFKWIYSLEOAB-QMTHXVAHSA-N 1 0 313.239 3.144 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2occc2Br)C[C@H](C)O1 ZINC000724287073 656513723 /nfs/dbraw/zinc/51/37/23/656513723.db2.gz IZRZHMYLDSDVPR-JGPRNRPPSA-N 1 0 302.212 3.335 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(Cl)c1 ZINC000724599004 656522285 /nfs/dbraw/zinc/52/22/85/656522285.db2.gz JZAMBHQOIIFBST-LIBKGXAOSA-N 1 0 316.228 3.448 10 0 DGAERO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094374950 656576581 /nfs/dbraw/zinc/57/65/81/656576581.db2.gz NKXMLAMYJXKTPG-RISCZKNCSA-N 1 0 310.463 3.387 10 0 DGAERO Cc1cc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cc(Cl)n1 ZINC000722383221 656637344 /nfs/dbraw/zinc/63/73/44/656637344.db2.gz PJNYGOIPQFOLTD-MNOVXSKESA-N 1 0 308.731 3.243 10 0 DGAERO Oc1cccc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1Cl ZINC000722405512 656721888 /nfs/dbraw/zinc/72/18/88/656721888.db2.gz WDKSWSQWVDIVNT-GXSJLCMTSA-N 1 0 309.715 3.245 10 0 DGAERO CC(C)c1ccc(NC(=O)CN2C[C@@H]([NH3+])Cc3ccccc32)cc1 ZINC000261647083 656941272 /nfs/dbraw/zinc/94/12/72/656941272.db2.gz JEZCLLAORMZCDV-KRWDZBQOSA-N 1 0 323.440 3.139 10 0 DGAERO [NH3+][C@@H]1CCCC[C@@H]1c1nc(CSc2ccc(F)cc2)no1 ZINC000097329081 656943903 /nfs/dbraw/zinc/94/39/03/656943903.db2.gz MSCVWZRMWROLNP-QWHCGFSZSA-N 1 0 307.394 3.486 10 0 DGAERO CCN1CCCC[C@H]1C(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000248637684 657032711 /nfs/dbraw/zinc/03/27/11/657032711.db2.gz KZGGTXFXVAXZAC-DOMZBBRYSA-N 1 0 301.390 3.042 10 0 DGAERO [NH3+]C1(C(=O)Nc2ccc3c(c2)oc2ccccc23)CCOCC1 ZINC000261802535 657108030 /nfs/dbraw/zinc/10/80/30/657108030.db2.gz IYYMYPKWIDGJDS-UHFFFAOYSA-N 1 0 310.353 3.032 10 0 DGAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000261903737 657172651 /nfs/dbraw/zinc/17/26/51/657172651.db2.gz RYSBAMVDZMWNPT-OAHLLOKOSA-N 1 0 324.424 3.039 10 0 DGAERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000249991191 657443012 /nfs/dbraw/zinc/44/30/12/657443012.db2.gz ZWIOXIVMSKKXIQ-XJKSGUPXSA-N 1 0 324.808 3.375 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1cccs1 ZINC000007375816 657502286 /nfs/dbraw/zinc/50/22/86/657502286.db2.gz YNQGFFOVHIGLAM-SNVBAGLBSA-N 1 0 301.367 3.411 10 0 DGAERO CCC[NH+]1CCN(c2nc(CC)nc3sc(C)c(C)c32)CC1 ZINC000096204814 657512851 /nfs/dbraw/zinc/51/28/51/657512851.db2.gz PUBYJMUNVPDLJM-UHFFFAOYSA-N 1 0 318.490 3.403 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000262388774 657540287 /nfs/dbraw/zinc/54/02/87/657540287.db2.gz PDAINUFMKZGCRN-URLQWDBASA-N 1 0 312.457 3.443 10 0 DGAERO CC/C=C(/C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(O)c2C)C1 ZINC000096840058 657558924 /nfs/dbraw/zinc/55/89/24/657558924.db2.gz NBZFXECOZBDKMG-SZCQRLSZSA-N 1 0 316.445 3.109 10 0 DGAERO CCCN(C/C=C\c1ccccc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000096841577 657559443 /nfs/dbraw/zinc/55/94/43/657559443.db2.gz VTKQQVJYLASCAG-OTIVFRFGSA-N 1 0 312.457 3.328 10 0 DGAERO CN1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@@H]1c1cccnc1 ZINC000414481891 657586963 /nfs/dbraw/zinc/58/69/63/657586963.db2.gz CEIQZBACPIKWEK-QXBNDQRDSA-N 1 0 307.441 3.377 10 0 DGAERO O=C(C[NH+]1CCCCCCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000097472457 657640768 /nfs/dbraw/zinc/64/07/68/657640768.db2.gz XVZUOVSRIXFDAU-ZDUSSCGKSA-N 1 0 306.372 3.053 10 0 DGAERO CSc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)cc1 ZINC000720408806 657696563 /nfs/dbraw/zinc/69/65/63/657696563.db2.gz DIZIBKFJESJITO-HZPDHXFCSA-N 1 0 308.516 3.078 10 0 DGAERO Clc1ccsc1C[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000720471528 657755754 /nfs/dbraw/zinc/75/57/54/657755754.db2.gz IQUXVMHOSBKDHF-NEPJUHHUSA-N 1 0 302.896 3.071 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)oc1C ZINC000188499081 657777689 /nfs/dbraw/zinc/77/76/89/657777689.db2.gz HQTAINWEAIGMRO-KGLIPLIRSA-N 1 0 323.437 3.074 10 0 DGAERO Cn1cc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c(Br)n1 ZINC000720652081 658053656 /nfs/dbraw/zinc/05/36/56/658053656.db2.gz FQPPYLOHRKFQQA-WCQYABFASA-N 1 0 312.255 3.241 10 0 DGAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cn(C)nc1Br ZINC000720644699 658053803 /nfs/dbraw/zinc/05/38/03/658053803.db2.gz DHXVEGVCKMDHMJ-IAZYJMLFSA-N 1 0 300.244 3.097 10 0 DGAERO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CC1(C)C ZINC000720660598 658056773 /nfs/dbraw/zinc/05/67/73/658056773.db2.gz IWACKEOZISLSIN-WDEREUQCSA-N 1 0 300.244 3.097 10 0 DGAERO Cn1cc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c(Br)n1 ZINC000720680664 658080398 /nfs/dbraw/zinc/08/03/98/658080398.db2.gz KFEJUGPSSRTFQG-VIFPVBQESA-N 1 0 322.197 3.098 10 0 DGAERO CC1(C)CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1[NH3+] ZINC000720773417 658118811 /nfs/dbraw/zinc/11/88/11/658118811.db2.gz DDDDCZSHWVBHIP-LLVKDONJSA-N 1 0 302.205 3.194 10 0 DGAERO COC(=O)[C@@H]1CN(Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC000251900644 658388413 /nfs/dbraw/zinc/38/84/13/658388413.db2.gz WIZSOOWDQKNRPP-NXEZZACHSA-N 1 0 302.201 3.234 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1ccn(C)c1 ZINC000721042684 658412746 /nfs/dbraw/zinc/41/27/46/658412746.db2.gz SLQZMADSZVPWJB-GDBMZVCRSA-N 1 0 321.465 3.008 10 0 DGAERO CCO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000721193140 658645849 /nfs/dbraw/zinc/64/58/49/658645849.db2.gz GEGUVPMPBBGACE-RBSFLKMASA-N 1 0 314.470 3.227 10 0 DGAERO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1 ZINC000721232944 658706703 /nfs/dbraw/zinc/70/67/03/658706703.db2.gz FGJXRCUORBJVBW-IEBWSBKVSA-N 1 0 313.445 3.369 10 0 DGAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3OCCO3)cc2)CCO1 ZINC000721891500 658800960 /nfs/dbraw/zinc/80/09/60/658800960.db2.gz WFZYLQWVSWGWND-IRXDYDNUSA-N 1 0 319.445 3.415 10 0 DGAERO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C3OCCO3)cc2)CCO1 ZINC000721891499 658801263 /nfs/dbraw/zinc/80/12/63/658801263.db2.gz WFZYLQWVSWGWND-IAGOWNOFSA-N 1 0 319.445 3.415 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)/C=C(\C)C2CC2)CC1 ZINC000055011985 658909158 /nfs/dbraw/zinc/90/91/58/658909158.db2.gz PVWNGHTWIGLQKE-CCEZHUSRSA-N 1 0 313.445 3.123 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)C[C@H](O)c1c(F)cccc1F ZINC000055025109 658909331 /nfs/dbraw/zinc/90/93/31/658909331.db2.gz SHXQDYYENTZCJO-INIZCTEOSA-N 1 0 309.331 3.312 10 0 DGAERO CN(Cc1cccc(F)c1Br)CC(C)(C)C[NH3+] ZINC000157019212 658977517 /nfs/dbraw/zinc/97/75/17/658977517.db2.gz WOZFOVSOBQLARN-UHFFFAOYSA-N 1 0 303.219 3.005 10 0 DGAERO C[C@H](C(=O)OCCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000167001363 659068289 /nfs/dbraw/zinc/06/82/89/659068289.db2.gz ZNHSLJJEQSWBLV-INIZCTEOSA-N 1 0 319.445 3.114 10 0 DGAERO C[C@@H]1CN(c2cc(C(F)(F)F)cc(Cl)n2)C[C@H](C)[N@H+]1C ZINC000225832753 659084130 /nfs/dbraw/zinc/08/41/30/659084130.db2.gz YGOLLUGMKFUJCT-DTORHVGOSA-N 1 0 307.747 3.283 10 0 DGAERO C[NH+](C)[C@H]1CCCN(c2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000225822120 659084554 /nfs/dbraw/zinc/08/45/54/659084554.db2.gz HOJZVYMWRJPWSS-JTQLQIEISA-N 1 0 307.747 3.284 10 0 DGAERO Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000227555432 659157679 /nfs/dbraw/zinc/15/76/79/659157679.db2.gz PBUJISKKWAPMHK-LBPRGKRZSA-N 1 0 309.410 3.033 10 0 DGAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000227586634 659158323 /nfs/dbraw/zinc/15/83/23/659158323.db2.gz VBWZXNDOBZXSKB-DOMZBBRYSA-N 1 0 306.406 3.301 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000227586632 659158781 /nfs/dbraw/zinc/15/87/81/659158781.db2.gz VBWZXNDOBZXSKB-WFASDCNBSA-N 1 0 306.406 3.301 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1cccc2cc[nH]c21 ZINC000227759729 659163849 /nfs/dbraw/zinc/16/38/49/659163849.db2.gz LPQOAKBXUBOATA-SNAWJCMRSA-N 1 0 315.417 3.338 10 0 DGAERO Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1 ZINC000227759592 659163906 /nfs/dbraw/zinc/16/39/06/659163906.db2.gz BBGXECBJNUEBTL-VOTSOKGWSA-N 1 0 304.434 3.474 10 0 DGAERO Cc1sc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1Br ZINC000227778466 659163939 /nfs/dbraw/zinc/16/39/39/659163939.db2.gz QTTOCVCRRWLXDZ-UFBFGSQYSA-N 1 0 304.253 3.476 10 0 DGAERO C/C=C(/C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000229606133 659272027 /nfs/dbraw/zinc/27/20/27/659272027.db2.gz FUHFFRXMQGXENY-WNDJQJCJSA-N 1 0 304.409 3.234 10 0 DGAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC000171573385 659289402 /nfs/dbraw/zinc/28/94/02/659289402.db2.gz RCTWAOWLPWYPCJ-JQWIXIFHSA-N 1 0 314.401 3.087 10 0 DGAERO COC1CC([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000230674445 659345289 /nfs/dbraw/zinc/34/52/89/659345289.db2.gz JTDAMCRCBNXNRB-NFOMZHRRSA-N 1 0 310.235 3.073 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000231721142 659397714 /nfs/dbraw/zinc/39/77/14/659397714.db2.gz KHISQXBCZKSKOR-NEPJUHHUSA-N 1 0 314.813 3.468 10 0 DGAERO O[C@H](C[N@H+](C[C@@H]1CCCO1)C1CCCC1)c1ccc(F)cc1 ZINC000173835822 659403345 /nfs/dbraw/zinc/40/33/45/659403345.db2.gz FKNONQGWBJTJRV-ZWKOTPCHSA-N 1 0 307.409 3.283 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCC2CCCCCCC2)CC[N@@H+]1C ZINC000174183503 659419294 /nfs/dbraw/zinc/41/92/94/659419294.db2.gz XJALDDUDMFBFGE-DOTOQJQBSA-N 1 0 309.498 3.471 10 0 DGAERO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1=COCCC1 ZINC000174314099 659428774 /nfs/dbraw/zinc/42/87/74/659428774.db2.gz FUEATGINCIYRMY-QGZVFWFLSA-N 1 0 315.413 3.136 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000174564779 659438726 /nfs/dbraw/zinc/43/87/26/659438726.db2.gz RSKHMWXQQXPTOH-LSDHHAIUSA-N 1 0 308.422 3.453 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000174705725 659520803 /nfs/dbraw/zinc/52/08/03/659520803.db2.gz DYGMGAXZIQHWDM-IAQYHMDHSA-N 1 0 319.788 3.453 10 0 DGAERO Clc1cccc(Cl)c1Cc1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000089713552 659862667 /nfs/dbraw/zinc/86/26/67/659862667.db2.gz GDZCWFOFFVKEQQ-SECBINFHSA-N 1 0 312.200 3.119 10 0 DGAERO COCCCn1c(C)cc(C(=O)C[N@@H+]2CCCC23CCC3)c1C ZINC000444780390 659886771 /nfs/dbraw/zinc/88/67/71/659886771.db2.gz FCKLOCSGZDOIJH-UHFFFAOYSA-N 1 0 318.461 3.343 10 0 DGAERO Cc1ncccc1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000237602602 659931490 /nfs/dbraw/zinc/93/14/90/659931490.db2.gz NDQLKKDVXBLZIF-HNNXBMFYSA-N 1 0 319.449 3.127 10 0 DGAERO Cc1cccnc1COC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000180327501 659960172 /nfs/dbraw/zinc/96/01/72/659960172.db2.gz GGFKVRYAVRRMSR-GOSISDBHSA-N 1 0 310.397 3.098 10 0 DGAERO c1[nH]nc2cc(C[NH2+]C[C@@H]3COC4(CCCCCC4)O3)ccc12 ZINC000181096664 659980119 /nfs/dbraw/zinc/98/01/19/659980119.db2.gz MPMVAYGGCVNZFB-MRXNPFEDSA-N 1 0 315.417 3.118 10 0 DGAERO c1[nH]nc2c1[C@@H](NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)CCC2 ZINC000353517290 659995086 /nfs/dbraw/zinc/99/50/86/659995086.db2.gz JUXDHLPXACLZOM-WMZOPIPTSA-N 1 0 316.493 3.421 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000181475004 660002462 /nfs/dbraw/zinc/00/24/62/660002462.db2.gz GDKIVYWTFVGCGA-WMZOPIPTSA-N 1 0 318.461 3.231 10 0 DGAERO c1[nH]nc2c1[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000353590210 660004887 /nfs/dbraw/zinc/00/48/87/660004887.db2.gz IRVIFHNJTQHMMI-RDJZCZTQSA-N 1 0 302.466 3.174 10 0 DGAERO C[C@](O)(C[NH2+]Cc1cccc2cnccc21)c1ccc(F)cc1 ZINC000181545124 660006884 /nfs/dbraw/zinc/00/68/84/660006884.db2.gz YVHJMTIZNSVZOS-IBGZPJMESA-N 1 0 310.372 3.371 10 0 DGAERO C[C@@H]1CN(Cc2cc3ccccc3nc2Cl)C[C@H]1[NH+](C)C ZINC000251756594 660008229 /nfs/dbraw/zinc/00/82/29/660008229.db2.gz LPJMFOKBZOJYJA-MLGOLLRUSA-N 1 0 303.837 3.270 10 0 DGAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCOC1=O ZINC000181677923 660014602 /nfs/dbraw/zinc/01/46/02/660014602.db2.gz DMQFAVSAHZUORA-CYBMUJFWSA-N 1 0 316.401 3.488 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000182071600 660032015 /nfs/dbraw/zinc/03/20/15/660032015.db2.gz PQDAXFNSGHWXFW-LLVKDONJSA-N 1 0 311.809 3.128 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1 ZINC000182676899 660070482 /nfs/dbraw/zinc/07/04/82/660070482.db2.gz OXGXUOZUMAQMGL-KUHUBIRLSA-N 1 0 317.404 3.435 10 0 DGAERO [NH2+]=C(NCc1cc(Br)cs1)NC1CCCCC1 ZINC000070940939 660100765 /nfs/dbraw/zinc/10/07/65/660100765.db2.gz QFSMGCAOAKZKDV-UHFFFAOYSA-N 1 0 316.268 3.457 10 0 DGAERO COCCC[C@H](C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183167114 660103522 /nfs/dbraw/zinc/10/35/22/660103522.db2.gz BALXULJTMCVWNH-FUHWJXTLSA-N 1 0 319.445 3.257 10 0 DGAERO COCCC1(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000183167963 660103621 /nfs/dbraw/zinc/10/36/21/660103621.db2.gz SFMSPYYKNZVNJX-KRWDZBQOSA-N 1 0 317.429 3.011 10 0 DGAERO CC(C)(C)OCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183199401 660104313 /nfs/dbraw/zinc/10/43/13/660104313.db2.gz HEVYASJEQPQABB-MRXNPFEDSA-N 1 0 305.418 3.009 10 0 DGAERO CC[C@H]1C[C@H](C(=O)OCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000183488767 660117789 /nfs/dbraw/zinc/11/77/89/660117789.db2.gz NSMBXJGZDKFKES-MSOLQXFVSA-N 1 0 319.445 3.257 10 0 DGAERO CCc1cnccc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183594220 660125380 /nfs/dbraw/zinc/12/53/80/660125380.db2.gz RYRWEBFIEKQFAD-QGZVFWFLSA-N 1 0 310.397 3.075 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]CCC1(C)OCCO1)C(C)C ZINC000183884175 660145445 /nfs/dbraw/zinc/14/54/45/660145445.db2.gz ZANFPMLNQXESJC-MRXNPFEDSA-N 1 0 307.434 3.005 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]CCC1(C)OCCO1)CCCO2 ZINC000183900812 660146390 /nfs/dbraw/zinc/14/63/90/660146390.db2.gz MFPXIPSVXJXEAB-MRXNPFEDSA-N 1 0 305.418 3.260 10 0 DGAERO [NH3+]CC1(CC(=O)N(C[C@H]2CCCO2)C2CCCC2)CCCCC1 ZINC000184210211 660158547 /nfs/dbraw/zinc/15/85/47/660158547.db2.gz ZVBXDQNWEAZDRE-QGZVFWFLSA-N 1 0 322.493 3.236 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1C ZINC000929512892 661314401 /nfs/dbraw/zinc/31/44/01/661314401.db2.gz MPOFXLBSYQDTBG-HNNXBMFYSA-N 1 0 315.417 3.150 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)/C=C/c1cccs1 ZINC000155306155 661845028 /nfs/dbraw/zinc/84/50/28/661845028.db2.gz FMYGBDSGUOOQAY-SIFUEBAJSA-N 1 0 314.454 3.050 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCSC(C)(C)C)[C@H](C)C1 ZINC000155984663 661856642 /nfs/dbraw/zinc/85/66/42/661856642.db2.gz PJVGQAQCKSTRAM-HUUCEWRRSA-N 1 0 314.539 3.487 10 0 DGAERO COc1ccc(CC[N@H+](CCC(C)=O)CC(C)C)cc1OC ZINC000156095615 661857735 /nfs/dbraw/zinc/85/77/35/661857735.db2.gz CMMMTZQDYCFEGM-UHFFFAOYSA-N 1 0 307.434 3.183 10 0 DGAERO CCCCCCNC(=O)C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157820657 661869034 /nfs/dbraw/zinc/86/90/34/661869034.db2.gz WLWRXVMGFACBBN-AWEZNQCLSA-N 1 0 322.497 3.294 10 0 DGAERO CCC[C@H]([NH2+]C[C@H](O)c1ccccc1OC)c1ccccn1 ZINC000158752510 661877709 /nfs/dbraw/zinc/87/77/09/661877709.db2.gz OGHNOUICAPZWPT-RDJZCZTQSA-N 1 0 300.402 3.255 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000187972430 661910333 /nfs/dbraw/zinc/91/03/33/661910333.db2.gz HTYBOAQCHUZNKV-SLEUVZQESA-N 1 0 322.453 3.014 10 0 DGAERO c1cc(COc2ccc(C[NH2+]CC[C@H]3CCCO3)cc2)ccn1 ZINC000075762304 661946516 /nfs/dbraw/zinc/94/65/16/661946516.db2.gz AGNCABNBOFSOJZ-GOSISDBHSA-N 1 0 312.413 3.319 10 0 DGAERO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccc(F)nc1)C1CC1 ZINC000189087046 661962202 /nfs/dbraw/zinc/96/22/02/661962202.db2.gz FZYFMPCSIVDTCG-KRWDZBQOSA-N 1 0 323.412 3.004 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000189129059 661964736 /nfs/dbraw/zinc/96/47/36/661964736.db2.gz NZLBLSYSLIVKIO-ZIAGYGMSSA-N 1 0 323.412 3.004 10 0 DGAERO CC[C@H]1CC(=O)N(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000189805876 661992224 /nfs/dbraw/zinc/99/22/24/661992224.db2.gz WFRIWZWOLSDSHS-RYUDHWBXSA-N 1 0 306.372 3.113 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000077460327 662027582 /nfs/dbraw/zinc/02/75/82/662027582.db2.gz XJYPIDQQPHVWMP-QGZVFWFLSA-N 1 0 303.427 3.310 10 0 DGAERO CC1(C)C[N@H+](C[C@@H](O)c2ccccc2F)CC2(CCCC2)O1 ZINC000190953457 662050053 /nfs/dbraw/zinc/05/00/53/662050053.db2.gz MVNCKSSDNXISMW-MRXNPFEDSA-N 1 0 307.409 3.283 10 0 DGAERO FC(F)(F)CC[N@H+](CCC1OCCO1)Cc1ccccc1 ZINC000191242161 662057541 /nfs/dbraw/zinc/05/75/41/662057541.db2.gz PTSQJIBAQKRNDG-UHFFFAOYSA-N 1 0 303.324 3.204 10 0 DGAERO COc1ccc2ccccc2c1C[NH2+]CC1(C)OCCCO1 ZINC000192249049 662093071 /nfs/dbraw/zinc/09/30/71/662093071.db2.gz YHOGAMFDLCVVFX-UHFFFAOYSA-N 1 0 301.386 3.091 10 0 DGAERO Cc1cccc(NC[C@H]2CCN(c3cccc(Cl)n3)C2)[nH+]1 ZINC000192787600 662111092 /nfs/dbraw/zinc/11/10/92/662111092.db2.gz UUYWCMHFWSAGMJ-CYBMUJFWSA-N 1 0 302.809 3.377 10 0 DGAERO C[C@]1(c2nc(Cc3cccc(Br)c3)no2)CCC[NH2+]1 ZINC000079485123 662111470 /nfs/dbraw/zinc/11/14/70/662111470.db2.gz HGSBUNASDHGGLB-CQSZACIVSA-N 1 0 322.206 3.022 10 0 DGAERO COC(=O)[C@H]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000193499611 662136423 /nfs/dbraw/zinc/13/64/23/662136423.db2.gz SMPAQRTUZCRBEE-PYNQCMFNSA-N 1 0 307.356 3.286 10 0 DGAERO O=C(/C=C/c1ccccc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195090323 662178144 /nfs/dbraw/zinc/17/81/44/662178144.db2.gz YFALVSNRHQPRDQ-HVHJFMEUSA-N 1 0 304.821 3.050 10 0 DGAERO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000717923828 662205734 /nfs/dbraw/zinc/20/57/34/662205734.db2.gz QVYHKIAOURBQAG-UEJVZZJDSA-N 1 0 306.353 3.072 10 0 DGAERO CCN1C[C@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)s2)CC1=O ZINC000717959467 662213496 /nfs/dbraw/zinc/21/34/96/662213496.db2.gz VKLPDKMJLLTFCF-RKDXNWHRSA-N 1 0 306.353 3.038 10 0 DGAERO C[C@@H]([NH2+]CCc1cncn1C)c1ccc(C(F)(F)F)s1 ZINC000718012960 662214311 /nfs/dbraw/zinc/21/43/11/662214311.db2.gz HLQZYMNDLHZOAH-SECBINFHSA-N 1 0 303.353 3.394 10 0 DGAERO Cc1coc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000718053977 662216135 /nfs/dbraw/zinc/21/61/35/662216135.db2.gz TYCIKAOMADWWSY-KBPBESRZSA-N 1 0 308.422 3.371 10 0 DGAERO CCCCC[C@@H](C)NC(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245481102 662233956 /nfs/dbraw/zinc/23/39/56/662233956.db2.gz CAWWZKZEHVNHRA-KURKYZTESA-N 1 0 323.525 3.019 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000246273200 662252214 /nfs/dbraw/zinc/25/22/14/662252214.db2.gz MABQJWVGNBQECE-KBAYOESNSA-N 1 0 312.388 3.159 10 0 DGAERO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C3OCCO3)cc2)CC1 ZINC000718328798 662252656 /nfs/dbraw/zinc/25/26/56/662252656.db2.gz KJCMMYKTJRQGSC-SJORKVTESA-N 1 0 305.418 3.169 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000718350431 662253247 /nfs/dbraw/zinc/25/32/47/662253247.db2.gz DNPXPEMPEBSTJG-GXTWGEPZSA-N 1 0 313.239 3.281 10 0 DGAERO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000718375569 662254303 /nfs/dbraw/zinc/25/43/03/662254303.db2.gz UGWHMUVVLCHBKS-ZNMIVQPWSA-N 1 0 308.516 3.295 10 0 DGAERO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)sc1Cl ZINC000718556122 662257930 /nfs/dbraw/zinc/25/79/30/662257930.db2.gz YRQOIXNHXQBYCA-JECWYVHBSA-N 1 0 307.246 3.360 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(CSc2ccc(Cl)cc2)no1 ZINC000090244195 662258329 /nfs/dbraw/zinc/25/83/29/662258329.db2.gz FSHTVLFYZGSYRC-BXKDBHETSA-N 1 0 309.822 3.338 10 0 DGAERO COCC(C)(C)CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000718711861 662260261 /nfs/dbraw/zinc/26/02/61/662260261.db2.gz XTGGSRUGSKYOMP-SFHVURJKSA-N 1 0 304.478 3.303 10 0 DGAERO CC[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)CC1)NC(=O)OC(C)(C)C ZINC000718738088 662260967 /nfs/dbraw/zinc/26/09/67/662260967.db2.gz WUBBEVCSMAUBBE-RBSFLKMASA-N 1 0 314.470 3.227 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000718766542 662261336 /nfs/dbraw/zinc/26/13/36/662261336.db2.gz XPYNNJNWHIVVNU-APIJFGDWSA-N 1 0 314.470 3.225 10 0 DGAERO C[N@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)[C@H]1CCSC1 ZINC000246488532 662261826 /nfs/dbraw/zinc/26/18/26/662261826.db2.gz PDMLWEJJZIZCKZ-UONOGXRCSA-N 1 0 310.850 3.270 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000718825530 662262030 /nfs/dbraw/zinc/26/20/30/662262030.db2.gz NNTREQWXJYQYCA-GBESFXJTSA-N 1 0 302.462 3.198 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(Cl)s1 ZINC000090467033 662264561 /nfs/dbraw/zinc/26/45/61/662264561.db2.gz XAOQFUCXQIBGTM-ZJUUUORDSA-N 1 0 307.868 3.019 10 0 DGAERO CC[NH+](CC)C[C@H](C)NCc1nc(C)c(Br)s1 ZINC000719221497 662271481 /nfs/dbraw/zinc/27/14/81/662271481.db2.gz VLDWSDHFUMAAAF-VIFPVBQESA-N 1 0 320.300 3.034 10 0 DGAERO CO[C@@]1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCSC1 ZINC000719204660 662271620 /nfs/dbraw/zinc/27/16/20/662271620.db2.gz RGPGFFVBOQQITC-UKRRQHHQSA-N 1 0 313.463 3.474 10 0 DGAERO Cc1nc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)sc1Br ZINC000719275186 662272291 /nfs/dbraw/zinc/27/22/91/662272291.db2.gz SCQRJTMXRFLNPV-YUMQZZPRSA-N 1 0 319.268 3.260 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)sc1Br ZINC000719259585 662272333 /nfs/dbraw/zinc/27/23/33/662272333.db2.gz TZNGPLOIURXXDJ-SCZZXKLOSA-N 1 0 319.268 3.261 10 0 DGAERO Cc1nc(C[NH2+]CC[C@H]2CC2(F)F)sc1Br ZINC000719285733 662272914 /nfs/dbraw/zinc/27/29/14/662272914.db2.gz CELXITZGQGHYCP-ZETCQYMHSA-N 1 0 311.195 3.349 10 0 DGAERO CO[C@H]1C[C@@H]([NH2+]Cc2nc(C)c(Br)s2)C1(C)C ZINC000719325429 662273945 /nfs/dbraw/zinc/27/39/45/662273945.db2.gz BMYDKFFWNRSEPV-BDAKNGLRSA-N 1 0 319.268 3.117 10 0 DGAERO Cc1cccc(Cc2noc(-c3csc([C@H](C)[NH3+])n3)n2)c1 ZINC000090938837 662286403 /nfs/dbraw/zinc/28/64/03/662286403.db2.gz QMTPRVBKIKTEFD-JTQLQIEISA-N 1 0 300.387 3.112 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c(C)c1Br ZINC000719565866 662292438 /nfs/dbraw/zinc/29/24/38/662292438.db2.gz QJKAXPNHWAGWOX-OCCSQVGLSA-N 1 0 312.251 3.317 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccc(Br)s1 ZINC000719648629 662295359 /nfs/dbraw/zinc/29/53/59/662295359.db2.gz QVCAPKBFBLUKED-GUBZILKMSA-N 1 0 303.269 3.254 10 0 DGAERO C[C@@H]1[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)CCN1C ZINC000719649524 662295574 /nfs/dbraw/zinc/29/55/74/662295574.db2.gz UKAJAZFIEVBRLN-GMSGAONNSA-N 1 0 323.687 3.346 10 0 DGAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000247012678 662296780 /nfs/dbraw/zinc/29/67/80/662296780.db2.gz LKOCRCYDAIEUOK-NVXWUHKLSA-N 1 0 319.445 3.000 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccns1 ZINC000719908520 662299447 /nfs/dbraw/zinc/29/94/47/662299447.db2.gz QROLCGLRXNEEEZ-MAUKXSAKSA-N 1 0 315.486 3.186 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cc(C)cc(C)c1 ZINC000247232243 662304297 /nfs/dbraw/zinc/30/42/97/662304297.db2.gz ZJOYWBTWDJLQLG-RBUKOAKNSA-N 1 0 313.445 3.006 10 0 DGAERO C[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)CC1(O)CCCC1 ZINC000091982410 662325869 /nfs/dbraw/zinc/32/58/69/662325869.db2.gz MYNQMDJMRXTRAP-HNNXBMFYSA-N 1 0 322.836 3.070 10 0 DGAERO O=C(CC[C@H]1CCOC1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248383883 662343607 /nfs/dbraw/zinc/34/36/07/662343607.db2.gz BTWWEUYKADRHOQ-ROUUACIJSA-N 1 0 317.429 3.011 10 0 DGAERO O=C(C[C@H]1CCCCO1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248394061 662344226 /nfs/dbraw/zinc/34/42/26/662344226.db2.gz XTDVCFFQPXHGNR-QZTJIDSGSA-N 1 0 317.429 3.153 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248554864 662353863 /nfs/dbraw/zinc/35/38/63/662353863.db2.gz HUCXSZXSURBFKY-FUHWJXTLSA-N 1 0 303.446 3.340 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)nc2C)[C@@H](C)C1 ZINC000248661794 662356574 /nfs/dbraw/zinc/35/65/74/662356574.db2.gz XQXGKTUXPAJEFU-SMDDNHRTSA-N 1 0 324.856 3.237 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(OC)ccc1Br ZINC000716948770 685275945 /nfs/dbraw/zinc/27/59/45/685275945.db2.gz VZIQPFVZYOLZAF-ZYHUDNBSSA-N 1 0 316.239 3.097 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000227321177 685118026 /nfs/dbraw/zinc/11/80/26/685118026.db2.gz ZWTGINPQPGXQML-KCQAQPDRSA-N 1 0 304.459 3.105 10 0 DGAERO CCC[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)OC ZINC000378767201 685144391 /nfs/dbraw/zinc/14/43/91/685144391.db2.gz YQVLXWLRKPPXRI-ZNMIVQPWSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000379443336 685148314 /nfs/dbraw/zinc/14/83/14/685148314.db2.gz ROSOZBSCQDMDQQ-CYBMUJFWSA-N 1 0 310.413 3.479 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000379619333 685148631 /nfs/dbraw/zinc/14/86/31/685148631.db2.gz BKVTXZQELFHMAH-RTBURBONSA-N 1 0 302.462 3.057 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000381761537 685159641 /nfs/dbraw/zinc/15/96/41/685159641.db2.gz ORKJROXULILZPO-YDHLFZDLSA-N 1 0 319.449 3.350 10 0 DGAERO Cc1nc(C)c(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000381837437 685160217 /nfs/dbraw/zinc/16/02/17/685160217.db2.gz AWCOMTPAYPLSPT-CQSZACIVSA-N 1 0 323.437 3.028 10 0 DGAERO C[C@@H](CC[NH2+]C[C@]1(C)CCCS1)NC(=O)OC(C)(C)C ZINC000381995787 685161761 /nfs/dbraw/zinc/16/17/61/685161761.db2.gz ILYZTXXRUXULTR-WFASDCNBSA-N 1 0 302.484 3.165 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1Br ZINC000384048181 685169712 /nfs/dbraw/zinc/16/97/12/685169712.db2.gz WEKLSEGEMYEBQK-WDEREUQCSA-N 1 0 318.280 3.460 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]Cc2ccoc2)CC1 ZINC000389918909 685198263 /nfs/dbraw/zinc/19/82/63/685198263.db2.gz RYHKRAGJOSWBEC-AWEZNQCLSA-N 1 0 306.406 3.159 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@@H]1C ZINC000390053048 685199091 /nfs/dbraw/zinc/19/90/91/685199091.db2.gz GZDRGFJRJBSBIS-KBXIAJHMSA-N 1 0 308.466 3.410 10 0 DGAERO CCC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390105402 685199195 /nfs/dbraw/zinc/19/91/95/685199195.db2.gz IUKPQAYCMUKAMT-GJZGRUSLSA-N 1 0 314.470 3.038 10 0 DGAERO O[C@@H](C[NH2+]CCOCc1ccccc1)c1ccccc1Cl ZINC000390100002 685199208 /nfs/dbraw/zinc/19/92/08/685199208.db2.gz PBTOEGWFYSBHKE-KRWDZBQOSA-N 1 0 305.805 3.180 10 0 DGAERO FC1(F)CCCC[C@H]1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000390664169 685203212 /nfs/dbraw/zinc/20/32/12/685203212.db2.gz MKMLZBNSCWHFJC-QMMMGPOBSA-N 1 0 308.170 3.087 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000390714773 685203802 /nfs/dbraw/zinc/20/38/02/685203802.db2.gz BXLODORPBLPLOD-PBHICJAKSA-N 1 0 302.418 3.176 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CSC2(C)C)C1 ZINC000393890234 685219873 /nfs/dbraw/zinc/21/98/73/685219873.db2.gz ZTDVBGIEMZQJEF-XQQFMLRXSA-N 1 0 314.495 3.306 10 0 DGAERO CC(C)(C[NH2+]Cc1nc(Br)c[nH]1)c1ccccc1 ZINC000394626181 685222608 /nfs/dbraw/zinc/22/26/08/685222608.db2.gz HCJHVQZJKVYTIG-UHFFFAOYSA-N 1 0 308.223 3.240 10 0 DGAERO C[C@H]([NH2+]CCOC(F)F)c1ccc(Br)cc1F ZINC000398147375 685235168 /nfs/dbraw/zinc/23/51/68/685235168.db2.gz YUUGUHMJNIOGLB-ZETCQYMHSA-N 1 0 312.129 3.478 10 0 DGAERO C[C@]1(CNC(=O)N2CCCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398104559 685235687 /nfs/dbraw/zinc/23/56/87/685235687.db2.gz OFRFWERCTSPRFP-LJQANCHMSA-N 1 0 315.461 3.237 10 0 DGAERO CC(C)[C@@H](C[NH2+]C1CCCCC1)ONC(=O)OC(C)(C)C ZINC000398827644 1176035529 /nfs/dbraw/zinc/03/55/29/1176035529.db2.gz CLHUNQIWUCEXTJ-CQSZACIVSA-N 1 0 300.443 3.390 10 0 DGAERO c1cc(-c2ncc(C[NH2+]CCOC[C@@H]3CCCO3)s2)cs1 ZINC000084662745 1176079682 /nfs/dbraw/zinc/07/96/82/1176079682.db2.gz ZZWWXCFENUTCCZ-ZDUSSCGKSA-N 1 0 324.471 3.157 10 0 DGAERO C[C@H](C[NH2+]Cc1cccc(I)c1)C1CC1 ZINC000389328720 1176172205 /nfs/dbraw/zinc/17/22/05/1176172205.db2.gz KRDONJWCDSYLTR-SNVBAGLBSA-N 1 0 315.198 3.427 10 0 DGAERO C[C@@H](C[NH2+]Cc1cccc(I)c1)C1CC1 ZINC000389328718 1176172228 /nfs/dbraw/zinc/17/22/28/1176172228.db2.gz KRDONJWCDSYLTR-JTQLQIEISA-N 1 0 315.198 3.427 10 0 DGAERO CC[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1F ZINC000227608792 1176246953 /nfs/dbraw/zinc/24/69/53/1176246953.db2.gz BMWAJWPFSYPZGS-HNNXBMFYSA-N 1 0 308.397 3.486 10 0 DGAERO C[C@@H](N)c1nc(C(=O)N2CCCCc3ccccc32)cs1 ZINC000090957636 1176258558 /nfs/dbraw/zinc/25/85/58/1176258558.db2.gz VMFFVYGQABIHCG-LLVKDONJSA-N 1 0 301.415 3.146 10 0 DGAERO c1cc2cnccc2c(C[NH2+]CCc2ccc3c(c2)OCCO3)c1 ZINC000378911091 1176749810 /nfs/dbraw/zinc/74/98/10/1176749810.db2.gz SNSUOPQWMGPIPP-UHFFFAOYSA-N 1 0 320.392 3.338 10 0 DGAERO CC[C@H]1CCC[C@H](C[NH2+]CCn2cc(Br)cn2)C1 ZINC000394517783 1176751329 /nfs/dbraw/zinc/75/13/29/1176751329.db2.gz IECGLBGDZTVFJO-STQMWFEESA-N 1 0 314.271 3.452 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000397903944 1176781266 /nfs/dbraw/zinc/78/12/66/1176781266.db2.gz WGHIPLZKKNFBTL-UHFFFAOYSA-N 1 0 314.376 3.359 10 0 DGAERO Brc1cccc(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000149777648 1176789981 /nfs/dbraw/zinc/78/99/81/1176789981.db2.gz NOICCWGWLLAFNR-UHFFFAOYSA-N 1 0 324.266 3.299 10 0 DGAERO CCc1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc(Cl)n1 ZINC000228104824 1176805584 /nfs/dbraw/zinc/80/55/84/1176805584.db2.gz IIDKOFRUJYVTCQ-CQSZACIVSA-N 1 0 311.857 3.004 10 0 DGAERO C[C@H](Cc1ccsc1)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000251293743 1176998483 /nfs/dbraw/zinc/99/84/83/1176998483.db2.gz DFDDUKXPOSIOBN-MIGQKNRLSA-N 1 0 306.475 3.106 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+]CCCOC(F)F)C(C)(C)C ZINC000398270013 1177017138 /nfs/dbraw/zinc/01/71/38/1177017138.db2.gz ZAINJOCLRJJFJK-UHFFFAOYSA-N 1 0 324.412 3.241 10 0 DGAERO CC(=O)NCCC[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000383498677 1177038291 /nfs/dbraw/zinc/03/82/91/1177038291.db2.gz XACZOTSEDHAIBN-UHFFFAOYSA-N 1 0 309.624 3.263 10 0 DGAERO CC/C=C\C[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000384756397 1177121001 /nfs/dbraw/zinc/12/10/01/1177121001.db2.gz PGMTTZYWASTIGM-PLNGDYQASA-N 1 0 312.207 3.292 10 0 DGAERO Cc1ccc(C[NH2+]CCc2ccc(Br)cc2)cn1 ZINC000380929568 1177334262 /nfs/dbraw/zinc/33/42/62/1177334262.db2.gz HFSYLCMGXYOLOJ-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000085356174 1177644785 /nfs/dbraw/zinc/64/47/85/1177644785.db2.gz BMIIEWWBHBCOIL-NEPJUHHUSA-N 1 0 302.296 3.041 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000085365459 1177650460 /nfs/dbraw/zinc/65/04/60/1177650460.db2.gz SIFATNIJJDCFEJ-KGLIPLIRSA-N 1 0 301.415 3.266 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000085368080 1177712638 /nfs/dbraw/zinc/71/26/38/1177712638.db2.gz SHRGKYKIAHOPCE-HZPDHXFCSA-N 1 0 306.837 3.349 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1Br ZINC000085375309 1177713862 /nfs/dbraw/zinc/71/38/62/1177713862.db2.gz WXYODLUQRFHBLE-AAEUAGOBSA-N 1 0 311.223 3.214 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1Cl ZINC000066990710 1195583741 /nfs/dbraw/zinc/58/37/41/1195583741.db2.gz DONDFWOMQIPXHK-LBPRGKRZSA-N 1 0 324.852 3.298 10 0 DGAERO c1ccc2c(c1)CN(CC[NH2+]Cc1ccc3ncccc3c1)C2 ZINC000067450408 1195635559 /nfs/dbraw/zinc/63/55/59/1195635559.db2.gz FUBPJGPEYRFYPN-UHFFFAOYSA-N 1 0 303.409 3.340 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]CCCOc3ccccc3)cc2)c1 ZINC000071123151 1195930756 /nfs/dbraw/zinc/93/07/56/1195930756.db2.gz BCTMBXMBJARRCI-UHFFFAOYSA-N 1 0 307.397 3.431 10 0 DGAERO CCOc1cc(C[NH2+]CCOCc2ccccc2)ccc1OC ZINC000080244528 1197054441 /nfs/dbraw/zinc/05/44/41/1197054441.db2.gz QWAVBQRAUOERBB-UHFFFAOYSA-N 1 0 315.413 3.400 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC000081491482 1197225271 /nfs/dbraw/zinc/22/52/71/1197225271.db2.gz HREDRYSCHJPIIC-KBPBESRZSA-N 1 0 311.495 3.051 10 0 DGAERO C[C@H](Cc1ccsc1)[N@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000081598984 1197237440 /nfs/dbraw/zinc/23/74/40/1197237440.db2.gz QPUFIQLOEMPJNM-CYBMUJFWSA-N 1 0 320.433 3.066 10 0 DGAERO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000087758849 1197411104 /nfs/dbraw/zinc/41/11/04/1197411104.db2.gz OSNZWYBQDOHANV-JTQLQIEISA-N 1 0 303.233 3.388 10 0 DGAERO c1[nH]nc2c1cccc2C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000084025042 1197458703 /nfs/dbraw/zinc/45/87/03/1197458703.db2.gz COLRNIUNTQHDAL-UHFFFAOYSA-N 1 0 312.442 3.231 10 0 DGAERO CC[C@H]([NH2+]C1CC(c2ccccc2Br)C1)[C@@H](C)O ZINC000386739920 1197707351 /nfs/dbraw/zinc/70/73/51/1197707351.db2.gz XXHNYLBVGDZHPP-FLRBZUCHSA-N 1 0 312.251 3.444 10 0 DGAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CSC1(C)C ZINC000393875748 1197719850 /nfs/dbraw/zinc/71/98/50/1197719850.db2.gz FJONVVRCSKIJEN-OLZOCXBDSA-N 1 0 316.511 3.267 10 0 DGAERO C[C@H]([NH2+]C1CC(c2ccccc2Br)C1)C(C)(C)O ZINC000393975770 1197720287 /nfs/dbraw/zinc/72/02/87/1197720287.db2.gz VLDLQISYYJNWKL-UNXYVOJBSA-N 1 0 312.251 3.444 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccc(I)cc2)C[C@H]1C ZINC000091440257 1198407776 /nfs/dbraw/zinc/40/77/76/1198407776.db2.gz PFVGAJWIRRAMDN-PHIMTYICSA-N 1 0 315.198 3.379 10 0 DGAERO CCCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1OC ZINC000093479828 1198696801 /nfs/dbraw/zinc/69/68/01/1198696801.db2.gz SYVQZOCTRFYVIL-MCPYQZEQSA-N 1 0 319.445 3.077 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000093506818 1198701437 /nfs/dbraw/zinc/70/14/37/1198701437.db2.gz CIPHJLZPSFGDIK-IEBWSBKVSA-N 1 0 301.430 3.476 10 0 DGAERO COc1cccc(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000304548311 1199669517 /nfs/dbraw/zinc/66/95/17/1199669517.db2.gz FEFGKPPGLONUAD-UHFFFAOYSA-N 1 0 322.449 3.478 10 0 DGAERO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000305056766 1199671195 /nfs/dbraw/zinc/67/11/95/1199671195.db2.gz CTAFWDDWRKVWOO-NXEZZACHSA-N 1 0 304.203 3.085 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]CCOCc1ccccc1 ZINC000306848452 1199698131 /nfs/dbraw/zinc/69/81/31/1199698131.db2.gz MPROTSSJMKFAHR-UHFFFAOYSA-N 1 0 321.424 3.238 10 0 DGAERO CCC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000311634625 1199742679 /nfs/dbraw/zinc/74/26/79/1199742679.db2.gz AVJKIWATQIYRER-UHFFFAOYSA-N 1 0 302.249 3.103 10 0 DGAERO CC[N@@H+]1CCCN(Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000320755016 1199849030 /nfs/dbraw/zinc/84/90/30/1199849030.db2.gz WJXCQDZWKIRNPW-NSHDSACASA-N 1 0 317.296 3.427 10 0 DGAERO c1sc(C2CC2)nc1C[NH2+]CCCCNc1ccccn1 ZINC000119043974 1200013783 /nfs/dbraw/zinc/01/37/83/1200013783.db2.gz AIBGUUVERKJMJO-UHFFFAOYSA-N 1 0 302.447 3.397 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]CCCNc3ccccc3)cc2)c1 ZINC000124221035 1200331945 /nfs/dbraw/zinc/33/19/45/1200331945.db2.gz WVVKYXGFNOZFHT-UHFFFAOYSA-N 1 0 306.413 3.464 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000131385420 1201151572 /nfs/dbraw/zinc/15/15/72/1201151572.db2.gz FIYXXXVHFWBSIJ-KSSFIOAISA-N 1 0 310.482 3.009 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000133448028 1201190527 /nfs/dbraw/zinc/19/05/27/1201190527.db2.gz ILCVRIYRBMJNTD-PIGZYNQJSA-N 1 0 318.280 3.004 10 0 DGAERO c1cncc(-c2cccc(C[NH2+]CCCO[C@@H]3CCOC3)c2)c1 ZINC000133624988 1201194283 /nfs/dbraw/zinc/19/42/83/1201194283.db2.gz RJHFKLHJKWKYHU-LJQANCHMSA-N 1 0 312.413 3.034 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC)C2)cc1Cl ZINC000134532820 1201202560 /nfs/dbraw/zinc/20/25/60/1201202560.db2.gz OQRWUUFURAQSGC-CQSZACIVSA-N 1 0 322.836 3.005 10 0 DGAERO c1ncc(C[NH2+]Cc2cccc(OCc3ccccn3)c2)s1 ZINC000135887337 1201205673 /nfs/dbraw/zinc/20/56/73/1201205673.db2.gz IXOVUIXPVHBWDH-UHFFFAOYSA-N 1 0 311.410 3.407 10 0 DGAERO COc1cc(C[NH2+]Cc2ccnc(OCC3CC3)c2)ccc1C ZINC000194304068 1201362054 /nfs/dbraw/zinc/36/20/54/1201362054.db2.gz HCBGZYMLYZRRPG-UHFFFAOYSA-N 1 0 312.413 3.477 10 0 DGAERO CCCOc1cccc(C[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000222020455 1202568116 /nfs/dbraw/zinc/56/81/16/1202568116.db2.gz FEMDYEJBMIVWIR-UHFFFAOYSA-N 1 0 322.449 3.480 10 0 DGAERO CCN(CCC[NH2+]Cc1ccc(OC)cc1)C(=O)OC(C)(C)C ZINC000222040312 1202568122 /nfs/dbraw/zinc/56/81/22/1202568122.db2.gz GLHBUSFUIMGNDH-UHFFFAOYSA-N 1 0 322.449 3.432 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](CO)SC)cc1Cl ZINC000152489654 1202594605 /nfs/dbraw/zinc/59/46/05/1202594605.db2.gz GWIGPBFKCZXUBV-IAQYHMDHSA-N 1 0 315.866 3.107 10 0 DGAERO CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)OC(C)(C)C ZINC000229808239 1202596840 /nfs/dbraw/zinc/59/68/40/1202596840.db2.gz OECSDXPTIFZDNA-UHFFFAOYSA-N 1 0 314.376 3.311 10 0 DGAERO CC[C@H](O)C[NH2+][C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000232141552 1202600779 /nfs/dbraw/zinc/60/07/79/1202600779.db2.gz DZPFWCCFUHXUKB-HOCLYGCPSA-N 1 0 320.433 3.381 10 0 DGAERO Cc1cccc(CNCCC[NH+]2CCCC2)c1Br ZINC000235891109 1202605099 /nfs/dbraw/zinc/60/50/99/1202605099.db2.gz WKULIWVTSAXQEU-UHFFFAOYSA-N 1 0 311.267 3.333 10 0 DGAERO c1[nH]nc2cc(C[NH2+]Cc3ccc4c(c3)OCCCO4)ccc12 ZINC000236580316 1202612754 /nfs/dbraw/zinc/61/27/54/1202612754.db2.gz PAKHHRZUQUSQEN-UHFFFAOYSA-N 1 0 309.369 3.014 10 0 DGAERO c1sc(-c2ccccn2)nc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000236599356 1202614267 /nfs/dbraw/zinc/61/42/67/1202614267.db2.gz UAOJFNVJYPUFIF-AWEZNQCLSA-N 1 0 323.421 3.298 10 0 DGAERO C[N@H+](CCNC(=O)OC(C)(C)C)CCSCc1ccccc1 ZINC000238304475 1203444752 /nfs/dbraw/zinc/44/47/52/1203444752.db2.gz YUVLHZUOKYMYPU-UHFFFAOYSA-N 1 0 324.490 3.376 10 0 DGAERO Cc1ccc(Cl)cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248837162 1203810386 /nfs/dbraw/zinc/81/03/86/1203810386.db2.gz MTYFGDHILNUDEL-BBRMVZONSA-N 1 0 323.868 3.273 10 0 DGAERO C[C@@H](Cc1ccsc1)N(C)CC(=O)OCc1ccccc1 ZINC000176438602 1203930850 /nfs/dbraw/zinc/93/08/50/1203930850.db2.gz CCWQWDZROKGXQB-AWEZNQCLSA-N 1 0 303.427 3.354 10 0 DGAERO CCN(CC)C(=O)c1cccc(N[C@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000262304056 1204314086 /nfs/dbraw/zinc/31/40/86/1204314086.db2.gz OXZBNSSOVYPJKD-GDBMZVCRSA-N 1 0 303.450 3.111 10 0 DGAERO CC(C)(CCc1ccccc1)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000262518028 1204323379 /nfs/dbraw/zinc/32/33/79/1204323379.db2.gz NSLKTGZPPSICSR-SJORKVTESA-N 1 0 302.462 3.422 10 0 DGAERO C[C@H](CNc1nc2cc(Br)ccc2o1)[N@H+](C)C1CC1 ZINC000705924480 1081821884 /nfs/dbraw/zinc/82/18/84/1081821884.db2.gz UMQZIZVYOBVCBG-SECBINFHSA-N 1 0 324.222 3.485 10 0 DGAERO CC(C)[C@H](C[NH2+][C@@H](C)C1CCC1)ONC(=O)OC(C)(C)C ZINC000398836450 1082222167 /nfs/dbraw/zinc/22/21/67/1082222167.db2.gz NIWDOADAOZFXGF-JSGCOSHPSA-N 1 0 300.443 3.246 10 0 DGAERO O=C(/C=C\c1cccnc1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000588424070 1082220636 /nfs/dbraw/zinc/22/06/36/1082220636.db2.gz RNQUMKPXGLSCDG-GDWUOILNSA-N 1 0 322.408 3.303 10 0 DGAERO C[C@H](C(=O)OCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000176554648 1082678864 /nfs/dbraw/zinc/67/88/64/1082678864.db2.gz QXTPGKPLSMKLPY-HNNXBMFYSA-N 1 0 301.430 3.488 10 0 DGAERO Fc1nccnc1N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709627576 1083920591 /nfs/dbraw/zinc/92/05/91/1083920591.db2.gz GIYVSSNAZNJENA-INIZCTEOSA-N 1 0 314.408 3.472 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC000175943608 1093592815 /nfs/dbraw/zinc/59/28/15/1093592815.db2.gz JVBDDKNUHWDYHG-CABCVRRESA-N 1 0 323.506 3.195 10 0 DGAERO Cc1noc([C@@H]([NH2+]CCCOCCc2ccccc2)C(C)C)n1 ZINC000179883741 1093820135 /nfs/dbraw/zinc/82/01/35/1093820135.db2.gz YWOQJHZCSYLJOX-KRWDZBQOSA-N 1 0 317.433 3.314 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401121680 1093937066 /nfs/dbraw/zinc/93/70/66/1093937066.db2.gz LVEVLDQSNLDXRO-CWVYHPPDSA-N 1 0 308.466 3.410 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CS1 ZINC000401635040 1093960708 /nfs/dbraw/zinc/96/07/08/1093960708.db2.gz CMNNCAZZRQMFTB-MQYQWHSLSA-N 1 0 314.495 3.116 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000401671686 1093963388 /nfs/dbraw/zinc/96/33/88/1093963388.db2.gz ZVYGQHZLDSKVIH-IEBWSBKVSA-N 1 0 324.472 3.289 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000401666360 1093963712 /nfs/dbraw/zinc/96/37/12/1093963712.db2.gz HUFPEEKZOALHOK-CZUORRHYSA-N 1 0 319.449 3.125 10 0 DGAERO CSC1(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000401744719 1093968934 /nfs/dbraw/zinc/96/89/34/1093968934.db2.gz UFUPQADKRKFDSE-QWHCGFSZSA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)OCCC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401832014 1093974290 /nfs/dbraw/zinc/97/42/90/1093974290.db2.gz JVTPSHXITXFVJB-LSDHHAIUSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)OCCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401832011 1093974293 /nfs/dbraw/zinc/97/42/93/1093974293.db2.gz JVTPSHXITXFVJB-HUUCEWRRSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403167070 1094102171 /nfs/dbraw/zinc/10/21/71/1094102171.db2.gz BRKDJRWADYHAMA-QLFBSQMISA-N 1 0 308.466 3.412 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403483472 1094131580 /nfs/dbraw/zinc/13/15/80/1094131580.db2.gz SQJUQFPPTKJTOA-GVRJEKJASA-N 1 0 308.466 3.458 10 0 DGAERO O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)Nc1ccc(Cl)cc1 ZINC000403552875 1094139635 /nfs/dbraw/zinc/13/96/35/1094139635.db2.gz LBDNIWQNCQTXPQ-AGUYFDCRSA-N 1 0 310.850 3.295 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccns2)CN1C(=O)OC(C)(C)C ZINC000404322100 1094254259 /nfs/dbraw/zinc/25/42/59/1094254259.db2.gz JYZPTWVRFAVOEC-NEPJUHHUSA-N 1 0 311.451 3.021 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccns2)CC1 ZINC000404441659 1094258216 /nfs/dbraw/zinc/25/82/16/1094258216.db2.gz XKWHKYPDINKWEJ-LBPRGKRZSA-N 1 0 311.451 3.022 10 0 DGAERO COCC[C@@H](C)[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C ZINC000309947853 1094842151 /nfs/dbraw/zinc/84/21/51/1094842151.db2.gz DSNMADUWNBXEDD-ZIAGYGMSSA-N 1 0 302.459 3.085 10 0 DGAERO COc1cccc2c1CC[C@H]([NH2+][C@@H](c1nc(C)no1)C(C)C)C2 ZINC000192442575 1095051740 /nfs/dbraw/zinc/05/17/40/1095051740.db2.gz SFJNYMXYWPEIJQ-WMLDXEAASA-N 1 0 315.417 3.231 10 0 DGAERO CCC[NH2+][C@@H](C)CCNC(=O)c1cc(F)c(F)cc1Cl ZINC000721687688 1097839783 /nfs/dbraw/zinc/83/97/83/1097839783.db2.gz VNFIKZFQTYOIQP-VIFPVBQESA-N 1 0 304.768 3.126 10 0 DGAERO Cc1coc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC000721901754 1098155487 /nfs/dbraw/zinc/15/54/87/1098155487.db2.gz XRDVBUZSLDQLHR-AWEZNQCLSA-N 1 0 308.422 3.323 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368749 1101477821 /nfs/dbraw/zinc/47/78/21/1101477821.db2.gz ZQERDBVSCMIODB-UONOGXRCSA-N 1 0 315.244 3.469 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(Br)cc1C ZINC000716843595 1101775776 /nfs/dbraw/zinc/77/57/76/1101775776.db2.gz KUEWBNPSUQIIJB-FZMZJTMJSA-N 1 0 300.240 3.397 10 0 DGAERO C[C@H]1[C@@H]([NH2+]C2CC(c3ccccc3Br)C2)CCN1C ZINC000719571057 1104951445 /nfs/dbraw/zinc/95/14/45/1104951445.db2.gz QYMXATRFAKZQGB-ITDKRANNSA-N 1 0 323.278 3.377 10 0 DGAERO [NH3+][C@@H]1CC[C@H](CNC(=O)/C=C/c2cc(Cl)cc(Cl)c2)C1 ZINC000700949451 1108880927 /nfs/dbraw/zinc/88/09/27/1108880927.db2.gz UCYXNKFZTOKQMI-NYKPJEARSA-N 1 0 313.228 3.250 10 0 DGAERO NC(=O)C1CCC([NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000312623173 546452736 /nfs/dbraw/zinc/45/27/36/546452736.db2.gz YGJXWYMHVXCTOL-UHFFFAOYSA-N 1 0 307.246 3.189 10 0 DGAERO COCCC1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000162453557 197568146 /nfs/dbraw/zinc/56/81/46/197568146.db2.gz BXHIRUMVEQKOBA-UHFFFAOYSA-N 1 0 316.445 3.428 10 0 DGAERO COc1ccccc1[C@@H](C)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000103074757 432002982 /nfs/dbraw/zinc/00/29/82/432002982.db2.gz QVXREUCGAWGMHR-HOTGVXAUSA-N 1 0 320.477 3.281 10 0 DGAERO [NH3+]CCN(Cc1ccccc1)C(=O)C1C2CC3CC(C2)CC1C3 ZINC000303379090 230885210 /nfs/dbraw/zinc/88/52/10/230885210.db2.gz FCYDHPKXNIYKEB-UHFFFAOYSA-N 1 0 312.457 3.046 10 0 DGAERO Cc1nnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000309679448 231101306 /nfs/dbraw/zinc/10/13/06/231101306.db2.gz ABLSRFQYRNUWJU-HRCADAONSA-N 1 0 314.458 3.169 10 0 DGAERO C[NH+](C)[C@@H]1CCN(Cc2cc(Cl)ccc2Br)C1 ZINC000310404788 231112500 /nfs/dbraw/zinc/11/25/00/231112500.db2.gz LKUUCDFZSAHREJ-GFCCVEGCSA-N 1 0 317.658 3.238 10 0 DGAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cnn1C ZINC000328615566 231246172 /nfs/dbraw/zinc/24/61/72/231246172.db2.gz AXCVYRLUWNUCMS-LSJNVOPQSA-N 1 0 315.417 3.065 10 0 DGAERO CCOc1ccc(C(=O)C2CC[NH2+]CC2)cc1Br ZINC000083162915 185215198 /nfs/dbraw/zinc/21/51/98/185215198.db2.gz KYLAQEHRRCQAKF-UHFFFAOYSA-N 1 0 312.207 3.030 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](CCc3ccncc3)C2)c1 ZINC000083403311 185222118 /nfs/dbraw/zinc/22/21/18/185222118.db2.gz GVRYAASYYSCEGS-INIZCTEOSA-N 1 0 312.413 3.131 10 0 DGAERO NC(=O)C1CCC([NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000087758893 185231569 /nfs/dbraw/zinc/23/15/69/185231569.db2.gz FQCNSFBXPAIPJR-UHFFFAOYSA-N 1 0 301.217 3.127 10 0 DGAERO CCc1ccccc1CC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000444602537 529576522 /nfs/dbraw/zinc/57/65/22/529576522.db2.gz KGORWHCSDWPVJA-HXUWFJFHSA-N 1 0 322.452 3.355 10 0 DGAERO Cc1cc(COc2ccc(OCC[NH+]3CCCCC3)cc2)on1 ZINC000063457381 432005543 /nfs/dbraw/zinc/00/55/43/432005543.db2.gz JZJKBAAABOJOJW-UHFFFAOYSA-N 1 0 316.401 3.427 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000090227931 185287877 /nfs/dbraw/zinc/28/78/77/185287877.db2.gz QLVONLPLIHBHQC-MSOLQXFVSA-N 1 0 310.445 3.341 10 0 DGAERO C[N@@H+]1CCC[C@]12CCN(c1cncc(OC3CCCC3)c1)C2 ZINC000090505028 185299494 /nfs/dbraw/zinc/29/94/94/185299494.db2.gz XYMFIVPKSWRINT-GOSISDBHSA-N 1 0 301.434 3.078 10 0 DGAERO CCC[N@@H+]1CCC[C@H](C(=O)Nn2ccc3cc(Cl)ccc32)C1 ZINC000090448545 185297128 /nfs/dbraw/zinc/29/71/28/185297128.db2.gz WQYDKEKGELTOCN-AWEZNQCLSA-N 1 0 319.836 3.487 10 0 DGAERO Nc1ccc2nc(C[NH+]3CCN(c4ccccc4)CC3)ccc2c1 ZINC000090600183 185305887 /nfs/dbraw/zinc/30/58/87/185305887.db2.gz LANVKIOYLOBIJU-UHFFFAOYSA-N 1 0 318.424 3.139 10 0 DGAERO c1csc(Cn2cccc2CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000092615982 185328813 /nfs/dbraw/zinc/32/88/13/185328813.db2.gz QXEZSOIAFDGDJC-MRXNPFEDSA-N 1 0 315.486 3.268 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2nc3ccccc3s2)CC1 ZINC000129514181 432006486 /nfs/dbraw/zinc/00/64/86/432006486.db2.gz KIGDODBTDJVDKL-UHFFFAOYSA-N 1 0 317.458 3.147 10 0 DGAERO COc1ccc(CC2CC[NH+](CC3=CCCOC3)CC2)cc1 ZINC000092781433 185340305 /nfs/dbraw/zinc/34/03/05/185340305.db2.gz HXGAUNMIHYJJGZ-UHFFFAOYSA-N 1 0 301.430 3.296 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc2c1OCCO2 ZINC000092780903 185340509 /nfs/dbraw/zinc/34/05/09/185340509.db2.gz JUEDAJLWLWPZLU-OAHLLOKOSA-N 1 0 303.402 3.231 10 0 DGAERO Cc1ccc2ncc(CN3CCCC[C@H]([NH+]4CCCC4)C3)n2c1 ZINC000092785913 185340853 /nfs/dbraw/zinc/34/08/53/185340853.db2.gz PDTZSZOXOFZAHW-KRWDZBQOSA-N 1 0 312.461 3.093 10 0 DGAERO CCc1nn(C)c(Cl)c1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000092785529 185340878 /nfs/dbraw/zinc/34/08/78/185340878.db2.gz ZGDBTAPVWLKWLR-AWEZNQCLSA-N 1 0 324.900 3.086 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093945888 282263094 /nfs/dbraw/zinc/26/30/94/282263094.db2.gz MQDLAZGZOSFWKI-ZIAGYGMSSA-N 1 0 314.477 3.385 10 0 DGAERO CN1C(=O)C[C@@H]([NH2+]Cc2ccsc2)[C@@H]1c1ccc(Cl)cc1 ZINC000092849312 185346190 /nfs/dbraw/zinc/34/61/90/185346190.db2.gz REBCDEPHWPUXGO-ZBFHGGJFSA-N 1 0 320.845 3.463 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@@H]3CCC[C@H](C)C3)CC2)nn1 ZINC000092796269 185342206 /nfs/dbraw/zinc/34/22/06/185342206.db2.gz MPROOJJTRDZXSE-DOTOQJQBSA-N 1 0 302.466 3.123 10 0 DGAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000181481502 199304539 /nfs/dbraw/zinc/30/45/39/199304539.db2.gz VGZBRAINQGFPLC-AITUJVMLSA-N 1 0 314.473 3.306 10 0 DGAERO COCCOc1ccc([C@@H](C)[NH2+]CCCc2ccccn2)cc1 ZINC000181490916 199305949 /nfs/dbraw/zinc/30/59/49/199305949.db2.gz OUZDOJGVKHBDGY-MRXNPFEDSA-N 1 0 314.429 3.390 10 0 DGAERO Cc1ccc(CC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000181528788 199311552 /nfs/dbraw/zinc/31/15/52/199311552.db2.gz NDSKZFFJAKJHOI-GJZGRUSLSA-N 1 0 320.502 3.368 10 0 DGAERO CCc1ncsc1NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000437860850 529763980 /nfs/dbraw/zinc/76/39/80/529763980.db2.gz HUGRGWIAEJZPDA-UHFFFAOYSA-N 1 0 324.494 3.291 10 0 DGAERO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000181560509 199317595 /nfs/dbraw/zinc/31/75/95/199317595.db2.gz YLGPTCAQMCVXOW-AWEZNQCLSA-N 1 0 302.443 3.332 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2ccc(Cl)cc2F)CC1 ZINC000129670769 432008032 /nfs/dbraw/zinc/00/80/32/432008032.db2.gz NBNLGIXYFVUZIE-UHFFFAOYSA-N 1 0 312.816 3.329 10 0 DGAERO C[N@H+](CCC(=O)N1CCc2ccccc2C1)C[C@H]1CC=CCC1 ZINC000444608586 529870449 /nfs/dbraw/zinc/87/04/49/529870449.db2.gz LLSMPELZSFUOGL-KRWDZBQOSA-N 1 0 312.457 3.250 10 0 DGAERO C[NH2+][C@H](C)COc1ccc(Br)cc1Br ZINC000103283203 185443780 /nfs/dbraw/zinc/44/37/80/185443780.db2.gz IRKLIIVPIFJZJH-SSDOTTSWSA-N 1 0 323.028 3.198 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103297507 185445280 /nfs/dbraw/zinc/44/52/80/185445280.db2.gz DTJYJDKXDSWDHU-IRXDYDNUSA-N 1 0 309.498 3.329 10 0 DGAERO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1OCCc2ccccc21 ZINC000435137028 529982506 /nfs/dbraw/zinc/98/25/06/529982506.db2.gz JCTOUISYKSFZMZ-IBGZPJMESA-N 1 0 323.396 3.416 10 0 DGAERO C[N@@H+](Cc1ccncc1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000328634309 530011264 /nfs/dbraw/zinc/01/12/64/530011264.db2.gz MODAVTNMPZIPAI-HOTGVXAUSA-N 1 0 319.449 3.188 10 0 DGAERO CN(CC1CC1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000441016420 282387359 /nfs/dbraw/zinc/38/73/59/282387359.db2.gz UISMTHJIJYDGBT-UHFFFAOYSA-N 1 0 307.482 3.084 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC2)cc1 ZINC000181734874 199345498 /nfs/dbraw/zinc/34/54/98/199345498.db2.gz QMAOYMPYFLHEPQ-CQSZACIVSA-N 1 0 304.434 3.041 10 0 DGAERO Cc1ccc(C)c(CC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000130147215 432015961 /nfs/dbraw/zinc/01/59/61/432015961.db2.gz AVSWDWFCUUYTSV-UHFFFAOYSA-N 1 0 302.462 3.083 10 0 DGAERO Brc1ccc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)nc1 ZINC000066494176 432017254 /nfs/dbraw/zinc/01/72/54/432017254.db2.gz UBCVMNPZVGIXBI-CQSZACIVSA-N 1 0 322.250 3.075 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3ccccc32)C1 ZINC000119430659 185743264 /nfs/dbraw/zinc/74/32/64/185743264.db2.gz QNDHNGBKYJNAQX-APWZRJJASA-N 1 0 308.425 3.396 10 0 DGAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@H]1CCCc2ccccc21 ZINC000236673009 201958563 /nfs/dbraw/zinc/95/85/63/201958563.db2.gz XAZLYEYLNALCCT-APWZRJJASA-N 1 0 302.462 3.376 10 0 DGAERO C[NH+](C)C1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000123973253 185863283 /nfs/dbraw/zinc/86/32/83/185863283.db2.gz HMAMNQPWEKUBSC-UHFFFAOYSA-N 1 0 316.367 3.154 10 0 DGAERO CCc1c(C)nc(-c2ccccc2F)nc1N[C@@H]1CCC[NH2+]C1 ZINC000070456473 190896542 /nfs/dbraw/zinc/89/65/42/190896542.db2.gz HIIXWYOAUQTMJS-CYBMUJFWSA-N 1 0 314.408 3.317 10 0 DGAERO CCCc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccccc2)n1 ZINC000070456086 190896546 /nfs/dbraw/zinc/89/65/46/190896546.db2.gz SYRWYNPXQALKIT-UHFFFAOYSA-N 1 0 310.445 3.271 10 0 DGAERO [NH3+][C@H]1CCCN(c2ccc(-c3cccc(C(F)(F)F)c3)nn2)C1 ZINC000070458929 190898187 /nfs/dbraw/zinc/89/81/87/190898187.db2.gz ONHDUSXPHGXERP-ZDUSSCGKSA-N 1 0 322.334 3.090 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1Cc1cccc(Cl)c1 ZINC000071668868 191001916 /nfs/dbraw/zinc/00/19/16/191001916.db2.gz ZOCBPEWVOMCFCJ-CQSZACIVSA-N 1 0 310.825 3.091 10 0 DGAERO C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2COc2ccccc2)C1 ZINC000133652250 186003551 /nfs/dbraw/zinc/00/35/51/186003551.db2.gz HHTJOFFYCHRCGE-QGZVFWFLSA-N 1 0 324.424 3.090 10 0 DGAERO CCC(=O)c1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000152492426 186079055 /nfs/dbraw/zinc/07/90/55/186079055.db2.gz JQAQABXAMMLQIS-MRXNPFEDSA-N 1 0 317.433 3.227 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccc3ccccc3n2)C1 ZINC000155736686 186108163 /nfs/dbraw/zinc/10/81/63/186108163.db2.gz YMRXGUWNYXADMV-XZRLMUBPSA-N 1 0 323.440 3.093 10 0 DGAERO COC[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000171535026 186171562 /nfs/dbraw/zinc/17/15/62/186171562.db2.gz OAOCSFYGHWQTKY-HNNXBMFYSA-N 1 0 304.434 3.284 10 0 DGAERO CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182035577 199377233 /nfs/dbraw/zinc/37/72/33/199377233.db2.gz MIUJZWMJMLNPOV-HKUYNNGSSA-N 1 0 316.489 3.494 10 0 DGAERO Cc1coc2ccc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cc12 ZINC000187999668 186241760 /nfs/dbraw/zinc/24/17/60/186241760.db2.gz SIUQEYYCAWAXEK-ZFWWWQNUSA-N 1 0 313.401 3.442 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000191831523 186260790 /nfs/dbraw/zinc/26/07/90/186260790.db2.gz DTFZFMCBIAGNBV-KBXCAEBGSA-N 1 0 322.880 3.319 10 0 DGAERO Cc1cc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)ccc1F ZINC000106917329 432025882 /nfs/dbraw/zinc/02/58/82/432025882.db2.gz VFRNIVUHQKVSJR-KRWDZBQOSA-N 1 0 300.377 3.246 10 0 DGAERO CCCCNC(=O)[C@@H](C)N(C)Cc1ccc(F)cc1Cl ZINC000107062964 432026441 /nfs/dbraw/zinc/02/64/41/432026441.db2.gz QQMRBUPPFZXICD-LLVKDONJSA-N 1 0 300.805 3.216 10 0 DGAERO CSCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000171827145 197991919 /nfs/dbraw/zinc/99/19/19/197991919.db2.gz BYDQJMWFSXRMMQ-CQSZACIVSA-N 1 0 306.475 3.129 10 0 DGAERO CC(C)COc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171890497 198002441 /nfs/dbraw/zinc/00/24/41/198002441.db2.gz QUDKNUNYEIFMCT-INIZCTEOSA-N 1 0 317.433 3.033 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccc(F)c(Cl)c1 ZINC000171974352 198018826 /nfs/dbraw/zinc/01/88/26/198018826.db2.gz UOKHPZHGAALLOC-SNVBAGLBSA-N 1 0 310.756 3.039 10 0 DGAERO c1cnn(-c2ccc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)cc2)c1 ZINC000172068577 198033929 /nfs/dbraw/zinc/03/39/29/198033929.db2.gz WGCJCQVVWGIRQI-GOSISDBHSA-N 1 0 307.401 3.323 10 0 DGAERO Cn1cnc(CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000313264145 282770748 /nfs/dbraw/zinc/77/07/48/282770748.db2.gz NFEUEQFULCLNJS-CQSZACIVSA-N 1 0 307.850 3.443 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000172169831 198051988 /nfs/dbraw/zinc/05/19/88/198051988.db2.gz OSWUWHHTFGQZCS-CHWSQXEVSA-N 1 0 302.418 3.385 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCCC2)cc1 ZINC000172169814 198052123 /nfs/dbraw/zinc/05/21/23/198052123.db2.gz VAOQWFKDZNIYLO-CHWSQXEVSA-N 1 0 302.418 3.385 10 0 DGAERO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCOCC(F)(F)F ZINC000067228602 432028593 /nfs/dbraw/zinc/02/85/93/432028593.db2.gz NWBKRIZDYOHWFZ-ZFWWWQNUSA-N 1 0 317.351 3.417 10 0 DGAERO C[C@@H]1C[N@H+](CCc2cccnc2)C[C@H](c2ccc(F)cc2)O1 ZINC000172901470 198165683 /nfs/dbraw/zinc/16/56/83/198165683.db2.gz USFLBTZCTZJNLK-RDTXWAMCSA-N 1 0 300.377 3.225 10 0 DGAERO O=C(c1cccc2cc[nH]c21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000173129643 198186984 /nfs/dbraw/zinc/18/69/84/198186984.db2.gz BYKMYXNESUQWJT-INIZCTEOSA-N 1 0 311.429 3.258 10 0 DGAERO Fc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000067442483 432030587 /nfs/dbraw/zinc/03/05/87/432030587.db2.gz JUROCZWIIVSLCO-UHFFFAOYSA-N 1 0 310.376 3.248 10 0 DGAERO Cc1cnn(CC[NH2+][C@H](C)c2cccc(Br)c2)c1 ZINC000173397968 198210271 /nfs/dbraw/zinc/21/02/71/198210271.db2.gz WIKMONMKIAQKDQ-GFCCVEGCSA-N 1 0 308.223 3.305 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182052275 199379923 /nfs/dbraw/zinc/37/99/23/199379923.db2.gz KHLKZIONZXAYPW-INIZCTEOSA-N 1 0 302.462 3.102 10 0 DGAERO Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(C)C ZINC000173730186 198245931 /nfs/dbraw/zinc/24/59/31/198245931.db2.gz RTWMSZXQDLVAIQ-MRXNPFEDSA-N 1 0 317.433 3.094 10 0 DGAERO CCc1nnc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)n1C ZINC000173923563 198269335 /nfs/dbraw/zinc/26/93/35/198269335.db2.gz HURLSTIDTMVZQG-SWLSCSKDSA-N 1 0 302.397 3.100 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2c(F)cc(F)cc2F)CC[N@@H+]1C ZINC000174254586 198311006 /nfs/dbraw/zinc/31/10/06/198311006.db2.gz JCYOFYICFIQGGN-GXSJLCMTSA-N 1 0 315.339 3.050 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000174468125 198339009 /nfs/dbraw/zinc/33/90/09/198339009.db2.gz NANXPQUEHBFGTR-NEPJUHHUSA-N 1 0 312.360 3.347 10 0 DGAERO Cc1ccc(CCC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000107528842 432033390 /nfs/dbraw/zinc/03/33/90/432033390.db2.gz WDPAZLMFHYHJSN-LJQANCHMSA-N 1 0 314.473 3.405 10 0 DGAERO Cc1ccc(F)c(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000174482034 198339597 /nfs/dbraw/zinc/33/95/97/198339597.db2.gz MUBPUEULXHKINW-AGUYFDCRSA-N 1 0 305.397 3.271 10 0 DGAERO CSc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174732740 198376999 /nfs/dbraw/zinc/37/69/99/198376999.db2.gz KBVMQJLVJCCCHJ-OCCSQVGLSA-N 1 0 307.463 3.355 10 0 DGAERO Cc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000182146330 199393370 /nfs/dbraw/zinc/39/33/70/199393370.db2.gz WBGISZLSPMVIJN-LZLYRXPVSA-N 1 0 302.462 3.115 10 0 DGAERO Cc1cc(C)cc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000174788572 198385573 /nfs/dbraw/zinc/38/55/73/198385573.db2.gz NYVPKLBDXROAFC-AEFFLSMTSA-N 1 0 313.445 3.020 10 0 DGAERO COc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000182176097 199398136 /nfs/dbraw/zinc/39/81/36/199398136.db2.gz OZVZFPOXHLVADU-ZDUSSCGKSA-N 1 0 318.442 3.066 10 0 DGAERO CC(=O)c1cccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000131730838 432036393 /nfs/dbraw/zinc/03/63/93/432036393.db2.gz AXZAIYRMFYHHMG-UHFFFAOYSA-N 1 0 317.433 3.275 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCc2ccccc2C)C1 ZINC000175902563 198523598 /nfs/dbraw/zinc/52/35/98/198523598.db2.gz ANARJDLTTBPRJG-GOSISDBHSA-N 1 0 312.461 3.419 10 0 DGAERO CC(C)c1ccc(-c2nc(C(=O)NCCC[NH3+])cs2)cc1 ZINC000236786228 202008233 /nfs/dbraw/zinc/00/82/33/202008233.db2.gz FPIRBPUNQOXMLF-UHFFFAOYSA-N 1 0 303.431 3.012 10 0 DGAERO Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H](n3cncn3)C1)CCC2 ZINC000132678508 283004059 /nfs/dbraw/zinc/00/40/59/283004059.db2.gz FLUNDCKGSOQQSF-DOTOQJQBSA-N 1 0 300.381 3.132 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000131438761 432038764 /nfs/dbraw/zinc/03/87/64/432038764.db2.gz MCDARJPWVJQGAH-GJZGRUSLSA-N 1 0 324.509 3.255 10 0 DGAERO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000179076089 432039958 /nfs/dbraw/zinc/03/99/58/432039958.db2.gz VSGRJEBXCDXFGS-ZYSHUDEJSA-N 1 0 323.440 3.492 10 0 DGAERO CC[C@@H](CCO)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000131880068 432041651 /nfs/dbraw/zinc/04/16/51/432041651.db2.gz NKTPCAMPYBUTAS-JSGCOSHPSA-N 1 0 301.377 3.360 10 0 DGAERO Cc1noc(-c2ccnc(Oc3ccccc3C[NH+](C)C)c2)n1 ZINC000067843099 432042281 /nfs/dbraw/zinc/04/22/81/432042281.db2.gz PQMIYXYRJZDFKP-UHFFFAOYSA-N 1 0 310.357 3.294 10 0 DGAERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(Cl)cc1F ZINC000132117301 432044725 /nfs/dbraw/zinc/04/47/25/432044725.db2.gz WMEABIKXSLJMCP-XHDPSFHLSA-N 1 0 312.816 3.200 10 0 DGAERO CCc1ccc([C@@H](CNC(=O)N(C)C2CCC2)[NH+](C)C)cc1 ZINC000073493904 191320397 /nfs/dbraw/zinc/32/03/97/191320397.db2.gz HPEQXFVUFFJBSP-QGZVFWFLSA-N 1 0 303.450 3.046 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C)c1Cl ZINC000179136511 432045255 /nfs/dbraw/zinc/04/52/55/432045255.db2.gz FOMUJEDGGSCLPH-ZIAGYGMSSA-N 1 0 306.837 3.347 10 0 DGAERO Clc1nc2c(-c3ccccc3)c[nH]c2c(N[C@H]2CC[NH2+]C2)n1 ZINC000073735878 191349559 /nfs/dbraw/zinc/34/95/59/191349559.db2.gz UPPZMAUKUVEIOR-NSHDSACASA-N 1 0 313.792 3.052 10 0 DGAERO Clc1nc2c3ccccc3sc2c(N[C@H]2CC[NH2+]C2)n1 ZINC000073736379 191349997 /nfs/dbraw/zinc/34/99/97/191349997.db2.gz YLIWGRGJIHYDEF-QMMMGPOBSA-N 1 0 304.806 3.272 10 0 DGAERO COCc1cccc(CN2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000179205816 432049704 /nfs/dbraw/zinc/04/97/04/432049704.db2.gz SHZLFCNGEOXJAM-INIZCTEOSA-N 1 0 318.442 3.171 10 0 DGAERO CC(C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179208660 432050594 /nfs/dbraw/zinc/05/05/94/432050594.db2.gz HEMOSVQXVVAIJV-BHYGNILZSA-N 1 0 303.450 3.166 10 0 DGAERO CC(C)Cn1ccnc1CN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000164808149 432051970 /nfs/dbraw/zinc/05/19/70/432051970.db2.gz SQTGMICXIVBETM-CQSZACIVSA-N 1 0 315.417 3.161 10 0 DGAERO CCCCN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179266211 432052708 /nfs/dbraw/zinc/05/27/08/432052708.db2.gz GBTRYLUEJKSUII-IAGOWNOFSA-N 1 0 303.450 3.263 10 0 DGAERO Fc1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1 ZINC000005517071 181252337 /nfs/dbraw/zinc/25/23/37/181252337.db2.gz JFZVTQSVLUMTJT-UHFFFAOYSA-N 1 0 317.347 3.350 10 0 DGAERO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000236841612 202034409 /nfs/dbraw/zinc/03/44/09/202034409.db2.gz NLEKUYRGJKPQOQ-QGZVFWFLSA-N 1 0 302.374 3.175 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000133202449 432059216 /nfs/dbraw/zinc/05/92/16/432059216.db2.gz NIXNZKRCQSHSAX-UHFFFAOYSA-N 1 0 324.509 3.256 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)C2)n1 ZINC000236874710 202046326 /nfs/dbraw/zinc/04/63/26/202046326.db2.gz YWCZFFMHHHKUFV-MGPQQGTHSA-N 1 0 321.490 3.100 10 0 DGAERO C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)C(C)(C)C[NH+](C)C ZINC000081731842 192317414 /nfs/dbraw/zinc/31/74/14/192317414.db2.gz YSLWCQZKJJQDJZ-LSDHHAIUSA-N 1 0 318.461 3.035 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000236915238 202068987 /nfs/dbraw/zinc/06/89/87/202068987.db2.gz FNSADKLMLDNBCJ-SUMWQHHRSA-N 1 0 316.401 3.308 10 0 DGAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000236901494 202060887 /nfs/dbraw/zinc/06/08/87/202060887.db2.gz WGKLJMNRNMKCDA-SUNKGSAMSA-N 1 0 316.367 3.441 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000236901484 202062158 /nfs/dbraw/zinc/06/21/58/202062158.db2.gz ZOJNLWDIRHTQPL-TVQRCGJNSA-N 1 0 318.339 3.248 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1C ZINC000166486171 432060549 /nfs/dbraw/zinc/06/05/49/432060549.db2.gz QWQAKEOMAZTHGH-IAGOWNOFSA-N 1 0 312.461 3.357 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CCn1cnc2ccccc21 ZINC000237042900 202131686 /nfs/dbraw/zinc/13/16/86/202131686.db2.gz CUVNGYRHTQJOJJ-UHFFFAOYSA-N 1 0 322.412 3.175 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000237082359 202147272 /nfs/dbraw/zinc/14/72/72/202147272.db2.gz GPLPSNNRGOUSDJ-HNNXBMFYSA-N 1 0 318.461 3.096 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000237093020 202151724 /nfs/dbraw/zinc/15/17/24/202151724.db2.gz RXGGWFIHAVLTLD-UHFFFAOYSA-N 1 0 314.385 3.066 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc2ccccc2o1 ZINC000166634957 432061532 /nfs/dbraw/zinc/06/15/32/432061532.db2.gz VWXIXPWEHVMSPH-GDBMZVCRSA-N 1 0 324.428 3.486 10 0 DGAERO Cc1c(F)cccc1-c1ccc(C[NH2+]CCCC(=O)N(C)C)o1 ZINC000237141904 202165229 /nfs/dbraw/zinc/16/52/29/202165229.db2.gz QVFFOHVMNDWAAX-UHFFFAOYSA-N 1 0 318.392 3.352 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000179542500 432062141 /nfs/dbraw/zinc/06/21/41/432062141.db2.gz WSISJUXTVYUBDG-INIZCTEOSA-N 1 0 301.438 3.060 10 0 DGAERO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166539078 432062367 /nfs/dbraw/zinc/06/23/67/432062367.db2.gz IBZUPKICJBLBSF-KGLIPLIRSA-N 1 0 304.463 3.110 10 0 DGAERO CC(C)([NH2+]CC(=O)Nc1ccccc1F)c1cccc(F)c1 ZINC000179568829 432062520 /nfs/dbraw/zinc/06/25/20/432062520.db2.gz DGBWGLNYDOSMDZ-UHFFFAOYSA-N 1 0 304.340 3.428 10 0 DGAERO C[C@@H](CO)[C@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000166905363 432062703 /nfs/dbraw/zinc/06/27/03/432062703.db2.gz JGDKCEJYKCVRDW-MYTXZNPBSA-N 1 0 312.251 3.302 10 0 DGAERO Clc1cc(C[NH2+][C@H]2CCCOC2)ccc1Br ZINC000276890657 213157508 /nfs/dbraw/zinc/15/75/08/213157508.db2.gz GHVKNNCCWBMFDT-JTQLQIEISA-N 1 0 304.615 3.371 10 0 DGAERO CCC(CC)n1nc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1C ZINC000179702127 432068068 /nfs/dbraw/zinc/06/80/68/432068068.db2.gz JCFNBBUUQACFDF-INIZCTEOSA-N 1 0 320.481 3.109 10 0 DGAERO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@H](O)COC(C)(C)C ZINC000179753089 432070519 /nfs/dbraw/zinc/07/05/19/432070519.db2.gz UBBUWIFKRHHWLS-GOEBONIOSA-N 1 0 309.450 3.302 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sccc1COC ZINC000179869401 432072602 /nfs/dbraw/zinc/07/26/02/432072602.db2.gz UBXVPRDJSNVYMY-CYBMUJFWSA-N 1 0 312.479 3.135 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ncc(Br)s1 ZINC000179232839 199002392 /nfs/dbraw/zinc/00/23/92/199002392.db2.gz SUPNZFUHYCIVKN-IVZWLZJFSA-N 1 0 319.268 3.107 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(N2CCCC2)c(C)c1)[NH+](C)C ZINC000179431726 199034239 /nfs/dbraw/zinc/03/42/39/199034239.db2.gz RPTYXXVMZHNBEK-KRWDZBQOSA-N 1 0 303.450 3.264 10 0 DGAERO C/C(=C\c1ccccc1)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000179524222 199050397 /nfs/dbraw/zinc/05/03/97/199050397.db2.gz LRMRSCHTUIJDAO-QGOAFFKASA-N 1 0 324.472 3.031 10 0 DGAERO CCSc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000179857072 199089318 /nfs/dbraw/zinc/08/93/18/199089318.db2.gz BXGXNRHHIVNMGU-DZGCQCFKSA-N 1 0 319.474 3.499 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000179956423 199098962 /nfs/dbraw/zinc/09/89/62/199098962.db2.gz DKUKIJHLWHJIGX-MRXNPFEDSA-N 1 0 312.461 3.240 10 0 DGAERO Cc1ccc(F)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180099389 199116910 /nfs/dbraw/zinc/11/69/10/199116910.db2.gz AJJNUVSQMOHREB-QZTJIDSGSA-N 1 0 312.388 3.309 10 0 DGAERO CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000180156340 199123924 /nfs/dbraw/zinc/12/39/24/199123924.db2.gz OXBNBOQULUSZLN-RDJZCZTQSA-N 1 0 306.837 3.392 10 0 DGAERO Cc1cscc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180178991 199127018 /nfs/dbraw/zinc/12/70/18/199127018.db2.gz NTWABWKBYZVFNY-HZPDHXFCSA-N 1 0 300.427 3.232 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccccc2)[C@@H]1c1ccccc1 ZINC000180184856 199127379 /nfs/dbraw/zinc/12/73/79/199127379.db2.gz UFYUFZRZOYOMNF-QUCCMNQESA-N 1 0 324.424 3.017 10 0 DGAERO c1nc2n(n1)C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)CC2 ZINC000180234389 199133820 /nfs/dbraw/zinc/13/38/20/199133820.db2.gz SRDSGDRWMWJLCM-GOSISDBHSA-N 1 0 318.424 3.015 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000237311194 202226670 /nfs/dbraw/zinc/22/66/70/202226670.db2.gz MLKXLEDOUQVLTN-KGLIPLIRSA-N 1 0 304.434 3.358 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@H]1CCCO1 ZINC000180457016 199161484 /nfs/dbraw/zinc/16/14/84/199161484.db2.gz CPVMLZWOPSBPEJ-SWLSCSKDSA-N 1 0 308.447 3.117 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000170651748 432075273 /nfs/dbraw/zinc/07/52/73/432075273.db2.gz OWDBXNHFNSVECR-FUHWJXTLSA-N 1 0 302.462 3.388 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)CC2 ZINC000180499562 199166677 /nfs/dbraw/zinc/16/66/77/199166677.db2.gz BIIQRNCXDQPPDB-MSOLQXFVSA-N 1 0 324.472 3.327 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(-c2ccccc2)o1 ZINC000180581244 199179978 /nfs/dbraw/zinc/17/99/78/199179978.db2.gz JQAWDHISQMTFKA-UKRRQHHQSA-N 1 0 308.385 3.204 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(-c2ccccc2)o1 ZINC000180581274 199180040 /nfs/dbraw/zinc/18/00/40/199180040.db2.gz JQAWDHISQMTFKA-HIFRSBDPSA-N 1 0 308.385 3.204 10 0 DGAERO CCCc1csc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)n1 ZINC000180689830 199197837 /nfs/dbraw/zinc/19/78/37/199197837.db2.gz XRKUEQNNSWDUOU-GXTWGEPZSA-N 1 0 324.494 3.290 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(Cc2ccccc2)CCC1 ZINC000134350842 432076414 /nfs/dbraw/zinc/07/64/14/432076414.db2.gz KSXGMMZGVODEFX-SJLPKXTDSA-N 1 0 312.457 3.095 10 0 DGAERO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)c1ccco1 ZINC000180664226 199193018 /nfs/dbraw/zinc/19/30/18/199193018.db2.gz QCHMGJLEWDFANI-ILXRZTDVSA-N 1 0 320.458 3.454 10 0 DGAERO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cccc2nccn21)c1ccccc1 ZINC000180667027 199193156 /nfs/dbraw/zinc/19/31/56/199193156.db2.gz UQHGTDSNRPDFIX-MJGOQNOKSA-N 1 0 321.424 3.422 10 0 DGAERO CCN(CC(=O)Nc1c(F)cccc1F)c1cc[nH+]c(C)c1 ZINC000276624404 213007512 /nfs/dbraw/zinc/00/75/12/213007512.db2.gz VEYTUWUJHXWDHF-UHFFFAOYSA-N 1 0 305.328 3.133 10 0 DGAERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(Cl)nc1 ZINC000180832558 199215041 /nfs/dbraw/zinc/21/50/41/199215041.db2.gz TXKVOEOQUUZEPA-LLVKDONJSA-N 1 0 323.849 3.267 10 0 DGAERO CN(C)C(=O)CCC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180301003 432083803 /nfs/dbraw/zinc/08/38/03/432083803.db2.gz DBYKRHLQBUEHPT-UHFFFAOYSA-N 1 0 322.452 3.333 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000089732086 192852810 /nfs/dbraw/zinc/85/28/10/192852810.db2.gz UAMOUXRPJATYPO-SJORKVTESA-N 1 0 310.445 3.413 10 0 DGAERO CC(C)(C)C1CCC(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000186927921 200032520 /nfs/dbraw/zinc/03/25/20/200032520.db2.gz IKDMZTWFTVDBLN-VNPUNGKLSA-N 1 0 306.494 3.425 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc(F)c1 ZINC000186841972 200019679 /nfs/dbraw/zinc/01/96/79/200019679.db2.gz LTLPZKWGFKMWOU-DLBZAZTESA-N 1 0 314.408 3.325 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000186862939 200023097 /nfs/dbraw/zinc/02/30/97/200023097.db2.gz SZOQQGIQABGNTH-RISCZKNCSA-N 1 0 318.804 3.328 10 0 DGAERO CC(F)(F)c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000186956261 200037511 /nfs/dbraw/zinc/03/75/11/200037511.db2.gz NIJRQZKOQZSPST-CQSZACIVSA-N 1 0 309.360 3.110 10 0 DGAERO c1ccc(CCCC[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000186963121 200038825 /nfs/dbraw/zinc/03/88/25/200038825.db2.gz YZNYOBFCKIVKLD-UHFFFAOYSA-N 1 0 310.445 3.012 10 0 DGAERO C[C@H]1C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CCS1 ZINC000187170334 200071730 /nfs/dbraw/zinc/07/17/30/200071730.db2.gz BAIRVEAFJMFDJT-ZDUSSCGKSA-N 1 0 305.422 3.008 10 0 DGAERO Cc1ccc2cc(C[N@H+]3CC[C@H](c4cnn(C)c4)C3)ccc2n1 ZINC000187332828 200096286 /nfs/dbraw/zinc/09/62/86/200096286.db2.gz SMRONUROCHYVCH-KRWDZBQOSA-N 1 0 306.413 3.266 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc2ccccc2c1 ZINC000170862876 432085028 /nfs/dbraw/zinc/08/50/28/432085028.db2.gz SENWUFQFLNKGLP-RDTXWAMCSA-N 1 0 311.429 3.246 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000187759950 200153570 /nfs/dbraw/zinc/15/35/70/200153570.db2.gz VYULLBZZCHWHSY-WMZOPIPTSA-N 1 0 310.445 3.100 10 0 DGAERO Cc1ccc(C[C@H](C)N(C)C(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000237542493 202276729 /nfs/dbraw/zinc/27/67/29/202276729.db2.gz SFXOFFULTNPUNZ-LPHOPBHVSA-N 1 0 310.441 3.475 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H]1c1ccsc1 ZINC000188082407 200191723 /nfs/dbraw/zinc/19/17/23/200191723.db2.gz NCAYANRQASDBOZ-ZFWWWQNUSA-N 1 0 309.381 3.234 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1C ZINC000188306544 200225442 /nfs/dbraw/zinc/22/54/42/200225442.db2.gz APSIYVMPCBTSFC-WBMJQRKESA-N 1 0 303.381 3.073 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000188248662 200216305 /nfs/dbraw/zinc/21/63/05/200216305.db2.gz NYDAASNFMPEYCQ-GOSISDBHSA-N 1 0 311.429 3.468 10 0 DGAERO C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000188561152 200266743 /nfs/dbraw/zinc/26/67/43/200266743.db2.gz CVFTWDJNNMSRAA-CRAIPNDOSA-N 1 0 316.445 3.426 10 0 DGAERO CC(C)[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000170917354 432087067 /nfs/dbraw/zinc/08/70/67/432087067.db2.gz HPAUWLGRWJUYOD-FUHWJXTLSA-N 1 0 316.445 3.137 10 0 DGAERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189048877 200341681 /nfs/dbraw/zinc/34/16/81/200341681.db2.gz REYJZDPRFTYQMS-CXAGYDPISA-N 1 0 304.409 3.095 10 0 DGAERO Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000134879678 432088233 /nfs/dbraw/zinc/08/82/33/432088233.db2.gz JHHQKZZOBHDBCL-QAPCUYQASA-N 1 0 323.440 3.091 10 0 DGAERO COCc1ccsc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000180507501 432088360 /nfs/dbraw/zinc/08/83/60/432088360.db2.gz IRBGVBLNFAODAJ-AWEZNQCLSA-N 1 0 324.490 3.279 10 0 DGAERO COCc1ccsc1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000180507913 432088464 /nfs/dbraw/zinc/08/84/64/432088464.db2.gz MUFSGHDNQMMCND-CQSZACIVSA-N 1 0 324.490 3.136 10 0 DGAERO Cc1cc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C)s1 ZINC000170939999 432088558 /nfs/dbraw/zinc/08/85/58/432088558.db2.gz IKYYNDLEPWRMQA-INIZCTEOSA-N 1 0 316.474 3.256 10 0 DGAERO COC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000170961931 432088923 /nfs/dbraw/zinc/08/89/23/432088923.db2.gz UXZBXESWWIBHGB-CQSZACIVSA-N 1 0 304.434 3.282 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCc3cc(F)ccc31)CC2 ZINC000180533451 432089448 /nfs/dbraw/zinc/08/94/48/432089448.db2.gz HJFFULDIKCSFDF-ZBFHGGJFSA-N 1 0 314.408 3.133 10 0 DGAERO C[C@H](c1cccc(Cl)c1F)[N@H+](C)CC1(O)CCOCC1 ZINC000189789372 432090592 /nfs/dbraw/zinc/09/05/92/432090592.db2.gz ZLYZILHMICPAPR-LLVKDONJSA-N 1 0 301.789 3.013 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CCOC3)C2)cs1 ZINC000449677379 240363354 /nfs/dbraw/zinc/36/33/54/240363354.db2.gz AOEBMYMSWXOTRJ-INIZCTEOSA-N 1 0 303.431 3.141 10 0 DGAERO O=C(C[C@H]1CCCc2ccccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170980686 432091594 /nfs/dbraw/zinc/09/15/94/432091594.db2.gz PQSYLXPPCZHJPY-MSOLQXFVSA-N 1 0 312.457 3.193 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CC3 ZINC000180612699 432092925 /nfs/dbraw/zinc/09/29/25/432092925.db2.gz BEIBEWHEVJLBJC-MDOVXXIYSA-N 1 0 312.457 3.474 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)CC2 ZINC000180635587 432093101 /nfs/dbraw/zinc/09/31/01/432093101.db2.gz GOYAKDQLIVCJRN-ROUUACIJSA-N 1 0 324.472 3.327 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000246748667 283594092 /nfs/dbraw/zinc/59/40/92/283594092.db2.gz ZRUMKBJFHPQBEL-YVWKXTFCSA-N 1 0 320.436 3.288 10 0 DGAERO COCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CC[C@@H](C)C1 ZINC000434986950 238262176 /nfs/dbraw/zinc/26/21/76/238262176.db2.gz QYKYRKZKFYXHQF-ZIAGYGMSSA-N 1 0 303.406 3.307 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1ccc(CC)cc1)CC2 ZINC000180619728 432093826 /nfs/dbraw/zinc/09/38/26/432093826.db2.gz UGGLVMULCAPNBT-DLBZAZTESA-N 1 0 312.461 3.459 10 0 DGAERO CCC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccccn1 ZINC000180640858 432093835 /nfs/dbraw/zinc/09/38/35/432093835.db2.gz LQSHCOLYQUXGRA-HOCLYGCPSA-N 1 0 313.449 3.242 10 0 DGAERO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC12CCC2 ZINC000435578221 238322484 /nfs/dbraw/zinc/32/24/84/238322484.db2.gz LKXFVXVHXJWGJT-AWEZNQCLSA-N 1 0 319.474 3.223 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)CC2 ZINC000180623350 432093864 /nfs/dbraw/zinc/09/38/64/432093864.db2.gz FFTZTFFWCQZKOX-CMPLNLGQSA-N 1 0 322.815 3.299 10 0 DGAERO [NH3+][C@H](CNC(=O)CC1(CCc2ccccc2)CCCC1)C1CC1 ZINC000262000725 283617093 /nfs/dbraw/zinc/61/70/93/283617093.db2.gz ZWZAPSMOUOCORY-GOSISDBHSA-N 1 0 314.473 3.423 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180645740 432094697 /nfs/dbraw/zinc/09/46/97/432094697.db2.gz NDZGOUVUDZLNNC-QWHCGFSZSA-N 1 0 304.463 3.437 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)CC2 ZINC000180647498 432094798 /nfs/dbraw/zinc/09/47/98/432094798.db2.gz RWTVYSXWWVLPJM-AAEUAGOBSA-N 1 0 319.840 3.116 10 0 DGAERO COc1ccc(Cl)c(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000246106471 432094929 /nfs/dbraw/zinc/09/49/29/432094929.db2.gz OFOBGVYBHCFELG-NEPJUHHUSA-N 1 0 323.824 3.049 10 0 DGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192352867 200857731 /nfs/dbraw/zinc/85/77/31/200857731.db2.gz YIQQRSCOQUYRBL-WBMJQRKESA-N 1 0 304.434 3.053 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1cccc(O)c1)NC(=O)OC(C)(C)C ZINC000192677569 200921522 /nfs/dbraw/zinc/92/15/22/200921522.db2.gz INKXQYJKRKECJN-OLZOCXBDSA-N 1 0 308.422 3.346 10 0 DGAERO CCCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1 ZINC000246104410 432095682 /nfs/dbraw/zinc/09/56/82/432095682.db2.gz JLBPFXMOQYXMDQ-YTQUADARSA-N 1 0 319.445 3.244 10 0 DGAERO CCc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000246094325 432095607 /nfs/dbraw/zinc/09/56/07/432095607.db2.gz VOBCDBYNXPCKFW-PBHICJAKSA-N 1 0 303.450 3.443 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000193260371 201015500 /nfs/dbraw/zinc/01/55/00/201015500.db2.gz ZYALSKLOOPFLNG-HIFRSBDPSA-N 1 0 302.443 3.276 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000193270131 201017295 /nfs/dbraw/zinc/01/72/95/201017295.db2.gz XGNQFLCSKSORGJ-VQIMIIECSA-N 1 0 310.441 3.257 10 0 DGAERO C[C@H]([NH3+])CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000193290626 201021842 /nfs/dbraw/zinc/02/18/42/201021842.db2.gz MDOLTTLFOGEYRY-LBPRGKRZSA-N 1 0 309.841 3.396 10 0 DGAERO C[C@H]([NH3+])CCC(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000193231239 201009152 /nfs/dbraw/zinc/00/91/52/201009152.db2.gz JNONSCHPUVVYON-LBPRGKRZSA-N 1 0 310.388 3.020 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2F)[C@@H](C)C1 ZINC000246113814 432096226 /nfs/dbraw/zinc/09/62/26/432096226.db2.gz XUTVXEIBYHIPGQ-SMDDNHRTSA-N 1 0 312.816 3.281 10 0 DGAERO Clc1ccc([C@@H]2CN(CCC[NH+]3CCCC3)CCO2)cc1 ZINC000193475258 201058904 /nfs/dbraw/zinc/05/89/04/201058904.db2.gz TUEMSTYQGYOPPU-KRWDZBQOSA-N 1 0 308.853 3.199 10 0 DGAERO CC[C@@H]1C[N@@H+]([C@H](C)CN2CCOCC2)CC[C@@H]1c1ccccc1 ZINC000246111644 432096413 /nfs/dbraw/zinc/09/64/13/432096413.db2.gz PRODZIOZHGWIMU-GGPKGHCWSA-N 1 0 316.489 3.223 10 0 DGAERO CCc1cc(C)c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC000135075311 432098080 /nfs/dbraw/zinc/09/80/80/432098080.db2.gz VEWYTPKGWBEBOF-MRXNPFEDSA-N 1 0 318.392 3.322 10 0 DGAERO c1cn(C2CCCC2)nc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441280670 239030385 /nfs/dbraw/zinc/03/03/85/239030385.db2.gz SOCHICUSVQUOHS-HOTGVXAUSA-N 1 0 303.450 3.247 10 0 DGAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194769776 201286446 /nfs/dbraw/zinc/28/64/46/201286446.db2.gz IRTOUADZCVOCCZ-XOKHGSTOSA-N 1 0 315.417 3.334 10 0 DGAERO FC(F)(F)c1ncc(C[NH2+]C[C@@H]2CC23CCOCC3)s1 ZINC000443998173 239248953 /nfs/dbraw/zinc/24/89/53/239248953.db2.gz SYKDZXBDZNXIJE-VIFPVBQESA-N 1 0 306.353 3.068 10 0 DGAERO Cc1ccc([C@H](CNC(=O)N2CCCC23CCC3)[NH+](C)C)cc1 ZINC000444989209 239377437 /nfs/dbraw/zinc/37/74/37/239377437.db2.gz PTLCOYJFDWLEAQ-KRWDZBQOSA-N 1 0 315.461 3.326 10 0 DGAERO CCCCOc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000171080677 432101751 /nfs/dbraw/zinc/10/17/51/432101751.db2.gz FTHFBQGZVSWCHT-HNNXBMFYSA-N 1 0 305.422 3.033 10 0 DGAERO c1oc2ccccc2c1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189898851 432102490 /nfs/dbraw/zinc/10/24/90/432102490.db2.gz GHDNTPOHSHXBHD-UHFFFAOYSA-N 1 0 322.412 3.356 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CC[C@H](CC(C)C)C2)CC1 ZINC000073953049 283785807 /nfs/dbraw/zinc/78/58/07/283785807.db2.gz ZWDZMQCWLRBHGC-QGZVFWFLSA-N 1 0 309.498 3.186 10 0 DGAERO C[C@H]1CSC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000449103251 240017687 /nfs/dbraw/zinc/01/76/87/240017687.db2.gz AEKGDTBMSGLMSR-GWCFXTLKSA-N 1 0 300.265 3.333 10 0 DGAERO CCOC(=O)c1cc(C[NH2+]Cc2nccc3ccccc32)[nH]c1C ZINC000449128246 240029621 /nfs/dbraw/zinc/02/96/21/240029621.db2.gz YRZGYLRUAXHALG-UHFFFAOYSA-N 1 0 323.396 3.338 10 0 DGAERO c1cc(C[NH2+][C@H]2CCN(c3ccccc3)C2)n(C2CCCC2)n1 ZINC000449127213 240029664 /nfs/dbraw/zinc/02/96/64/240029664.db2.gz OLCASXDMBWUWMQ-INIZCTEOSA-N 1 0 310.445 3.367 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Br)c(F)c1 ZINC000449421945 240192632 /nfs/dbraw/zinc/19/26/32/240192632.db2.gz MCHDPXGDUXNHKH-FZMZJTMJSA-N 1 0 316.214 3.181 10 0 DGAERO Cn1cc(Br)c(C[NH2+][C@H]2CCCC[C@H]2C2CC2)n1 ZINC000449485652 240237289 /nfs/dbraw/zinc/23/72/89/240237289.db2.gz QYZKFUHKEAOYRD-AAEUAGOBSA-N 1 0 312.255 3.241 10 0 DGAERO COC(=O)CCn1nc(C)c(C[NH2+]CC2CCCCCC2)c1C ZINC000449486647 240237860 /nfs/dbraw/zinc/23/78/60/240237860.db2.gz UAZIDMSZNUHDON-UHFFFAOYSA-N 1 0 321.465 3.123 10 0 DGAERO CC(=O)N(c1nc(C[NH2+]C(C)(C)C2CCC2)cs1)C1CC1 ZINC000449517924 240262631 /nfs/dbraw/zinc/26/26/31/240262631.db2.gz HWFMRQGRSHVZFA-UHFFFAOYSA-N 1 0 307.463 3.327 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449687539 240372736 /nfs/dbraw/zinc/37/27/36/240372736.db2.gz PUIMVIPCHVZZAF-KRWDZBQOSA-N 1 0 315.442 3.208 10 0 DGAERO c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449741381 240396125 /nfs/dbraw/zinc/39/61/25/240396125.db2.gz KJFHSEVXJDNPBT-UHOSZYNNSA-N 1 0 301.430 3.380 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCO[C@H](c2cncn2C)C1 ZINC000275353521 212287027 /nfs/dbraw/zinc/28/70/27/212287027.db2.gz AHFGTCDSGMPXOA-CUSZFKRNSA-N 1 0 303.450 3.222 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000077204221 283847036 /nfs/dbraw/zinc/84/70/36/283847036.db2.gz CYBMTWCUUBWPRS-AAEUAGOBSA-N 1 0 303.324 3.226 10 0 DGAERO CC(C)COC1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000077395907 283850037 /nfs/dbraw/zinc/85/00/37/283850037.db2.gz JBCRFDYMMPEHIK-UHFFFAOYSA-N 1 0 304.434 3.152 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC000091302969 193036032 /nfs/dbraw/zinc/03/60/32/193036032.db2.gz SETAUMLKYBEKDM-VQIMIIECSA-N 1 0 316.445 3.175 10 0 DGAERO Cc1c(Cl)c(C[N@H+](C)CC2CC(O)C2)nc2ccccc12 ZINC000091489883 193063420 /nfs/dbraw/zinc/06/34/20/193063420.db2.gz RDERTETXJNVACZ-UHFFFAOYSA-N 1 0 304.821 3.399 10 0 DGAERO C[C@]1(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000150844595 291350518 /nfs/dbraw/zinc/35/05/18/291350518.db2.gz OMFJTXPLLZSZRU-GXTWGEPZSA-N 1 0 319.276 3.047 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1Cl ZINC000091667171 193087815 /nfs/dbraw/zinc/08/78/15/193087815.db2.gz UEFZVFOANZQGKL-IUODEOHRSA-N 1 0 317.260 3.365 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1nccs1 ZINC000091735387 193099251 /nfs/dbraw/zinc/09/92/51/193099251.db2.gz KZKYJOHBGRWPQK-QWRGUYRKSA-N 1 0 309.385 3.351 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000079495374 283880835 /nfs/dbraw/zinc/88/08/35/283880835.db2.gz FBAVEWWXXHYFAP-DOTOQJQBSA-N 1 0 305.466 3.365 10 0 DGAERO Cn1cc([C@@H]([NH2+]CCCc2ccccn2)c2cccc(F)c2)cn1 ZINC000180971055 432108422 /nfs/dbraw/zinc/10/84/22/432108422.db2.gz LGSHCIMEWIQZLA-IBGZPJMESA-N 1 0 324.403 3.266 10 0 DGAERO Cn1cccc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246220403 432108868 /nfs/dbraw/zinc/10/88/68/432108868.db2.gz FJQSCPJLORFOOL-IRXDYDNUSA-N 1 0 321.827 3.353 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000120017164 299362994 /nfs/dbraw/zinc/36/29/94/299362994.db2.gz KHQSIEQNUWQJQU-HEHGZKQESA-N 1 0 324.490 3.199 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000451895897 241269572 /nfs/dbraw/zinc/26/95/72/241269572.db2.gz FQMONGOIXODRFV-LJQANCHMSA-N 1 0 303.446 3.138 10 0 DGAERO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000181007038 432109847 /nfs/dbraw/zinc/10/98/47/432109847.db2.gz YEXFEQOSCFHPAX-SJORKVTESA-N 1 0 300.446 3.171 10 0 DGAERO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(N(C)C)c2C)CC1 ZINC000455068668 242102245 /nfs/dbraw/zinc/10/22/45/242102245.db2.gz GICXDVCSJJZMSW-AWEZNQCLSA-N 1 0 318.465 3.009 10 0 DGAERO C[NH+](C)CC[C@@H](NC(=O)c1scnc1C1CC1)C(C)(C)C ZINC000089811008 283963836 /nfs/dbraw/zinc/96/38/36/283963836.db2.gz JOEFLQZRFGNDNK-GFCCVEGCSA-N 1 0 309.479 3.117 10 0 DGAERO Cc1ccc2c(c1)CN(C(=O)NC1CC[NH+](C3CCC3)CC1)C2 ZINC000455570594 242238226 /nfs/dbraw/zinc/23/82/26/242238226.db2.gz XPKQPKLBQCIFMM-UHFFFAOYSA-N 1 0 313.445 3.037 10 0 DGAERO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC ZINC000190016398 432113293 /nfs/dbraw/zinc/11/32/93/432113293.db2.gz LKWTTYXHVGTQCM-HOCLYGCPSA-N 1 0 322.474 3.288 10 0 DGAERO Clc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000246271013 432113892 /nfs/dbraw/zinc/11/38/92/432113892.db2.gz AEPKRTZNIGMWBL-HOCLYGCPSA-N 1 0 305.853 3.184 10 0 DGAERO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C(C)(C)C)s2)C1 ZINC000092101240 193158337 /nfs/dbraw/zinc/15/83/37/193158337.db2.gz QOIUKLWQHYIDOS-AWEZNQCLSA-N 1 0 308.491 3.346 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cc(F)ccc2OC)CC1 ZINC000092120093 193164913 /nfs/dbraw/zinc/16/49/13/193164913.db2.gz QFJXEVBSUAOBHB-UHFFFAOYSA-N 1 0 323.412 3.078 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c(C)nn1C ZINC000092121215 193165476 /nfs/dbraw/zinc/16/54/76/193165476.db2.gz RDFVTCXUAFIQIN-INIZCTEOSA-N 1 0 317.408 3.083 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000037622554 284006156 /nfs/dbraw/zinc/00/61/56/284006156.db2.gz BCEMVJAWINJPFI-YGRLFVJLSA-N 1 0 302.340 3.400 10 0 DGAERO CC(C)Sc1ccccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000135411599 432116513 /nfs/dbraw/zinc/11/65/13/432116513.db2.gz WMGSYQSVJLAOHK-ZDUSSCGKSA-N 1 0 307.463 3.355 10 0 DGAERO C[N@H+](CCc1cccc2ccccc21)C[C@@H](O)COC(C)(C)C ZINC000101729164 284019639 /nfs/dbraw/zinc/01/96/39/284019639.db2.gz ZBNHOTUYCKBMHT-GOSISDBHSA-N 1 0 315.457 3.490 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccco2)cc1 ZINC000102685513 284022761 /nfs/dbraw/zinc/02/27/61/284022761.db2.gz PQHWKGBUUXFMMK-OAHLLOKOSA-N 1 0 314.429 3.445 10 0 DGAERO CCC(CC)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103296764 284028010 /nfs/dbraw/zinc/02/80/10/284028010.db2.gz MUOFYTYRMRMSSS-INIZCTEOSA-N 1 0 309.498 3.329 10 0 DGAERO CCCOc1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000092228011 193176517 /nfs/dbraw/zinc/17/65/17/193176517.db2.gz GQNYMVFLORVKAM-HOCLYGCPSA-N 1 0 317.433 3.176 10 0 DGAERO CSc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000092231794 193177267 /nfs/dbraw/zinc/17/72/67/193177267.db2.gz BZXDTRYSJVGAQE-GOEBONIOSA-N 1 0 304.459 3.013 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1ccnn1C ZINC000193057359 299385641 /nfs/dbraw/zinc/38/56/41/299385641.db2.gz CLWZZHIVMDQZCV-XGWLTEMNSA-N 1 0 318.852 3.170 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000458414869 243053506 /nfs/dbraw/zinc/05/35/06/243053506.db2.gz LJVKLRONTBOWNJ-WMZOPIPTSA-N 1 0 317.477 3.223 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CCCCCC2)C[C@@H]1C ZINC000459007616 243225755 /nfs/dbraw/zinc/22/57/55/243225755.db2.gz IDLWCEDAFHFBAX-DOTOQJQBSA-N 1 0 309.498 3.471 10 0 DGAERO Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000459048026 243235562 /nfs/dbraw/zinc/23/55/62/243235562.db2.gz XDKOZNONAXJGIC-VNHYZAJKSA-N 1 0 307.438 3.021 10 0 DGAERO Cc1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000107723622 284057349 /nfs/dbraw/zinc/05/73/49/284057349.db2.gz DFXMFMKUANKABR-GOSISDBHSA-N 1 0 315.461 3.155 10 0 DGAERO CCn1nncc1C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000459390125 243356951 /nfs/dbraw/zinc/35/69/51/243356951.db2.gz RZLAMTPONCHEFY-AWEZNQCLSA-N 1 0 302.422 3.184 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108589082 284062559 /nfs/dbraw/zinc/06/25/59/284062559.db2.gz TZBAXULONQLKTJ-KBPBESRZSA-N 1 0 323.868 3.384 10 0 DGAERO CCn1nncc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000459343433 243342456 /nfs/dbraw/zinc/34/24/56/243342456.db2.gz FXDRRALEIFVKHV-IBGZPJMESA-N 1 0 306.413 3.372 10 0 DGAERO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@]1(C)CCCOC1 ZINC000459464398 243381085 /nfs/dbraw/zinc/38/10/85/243381085.db2.gz OSOVZBUEUYWEHM-MRXNPFEDSA-N 1 0 305.447 3.240 10 0 DGAERO COCCc1nc(C)c([C@@H](C)[NH2+]CCCCSC)s1 ZINC000092750694 193188867 /nfs/dbraw/zinc/18/88/67/193188867.db2.gz HJNPKCSFALLFON-LLVKDONJSA-N 1 0 302.509 3.434 10 0 DGAERO CCCOc1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1OCC ZINC000092970181 193190189 /nfs/dbraw/zinc/19/01/89/193190189.db2.gz YKCNRFWKGQYJRU-HNNXBMFYSA-N 1 0 321.461 3.467 10 0 DGAERO CCCCOc1cc(C[NH+]2CCC([C@H](C)O)CC2)ccc1OC ZINC000092969985 193190947 /nfs/dbraw/zinc/19/09/47/193190947.db2.gz INUNJOWMVUOBAI-HNNXBMFYSA-N 1 0 321.461 3.467 10 0 DGAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(Cl)cc1 ZINC000113579758 284103229 /nfs/dbraw/zinc/10/32/29/284103229.db2.gz FXQKKVYMDKGUOG-HEHGZKQESA-N 1 0 321.852 3.279 10 0 DGAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccc(Cl)cc1 ZINC000113579755 284103311 /nfs/dbraw/zinc/10/33/11/284103311.db2.gz FXQKKVYMDKGUOG-DVOMOZLQSA-N 1 0 321.852 3.279 10 0 DGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000114158077 284106680 /nfs/dbraw/zinc/10/66/80/284106680.db2.gz WOLSKZPKWZJYDK-UHFFFAOYSA-N 1 0 323.440 3.389 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c(C)nn1C ZINC000093008737 193193730 /nfs/dbraw/zinc/19/37/30/193193730.db2.gz NQTPDMBMEXOLSR-QGZVFWFLSA-N 1 0 313.445 3.253 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@]2(CC=CCC2)C1)C[NH+]1CCCC1 ZINC000114589837 284109847 /nfs/dbraw/zinc/10/98/47/284109847.db2.gz VCUILYNXORMGDI-IEBWSBKVSA-N 1 0 319.493 3.250 10 0 DGAERO C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000261563728 203077232 /nfs/dbraw/zinc/07/72/32/203077232.db2.gz XGQGXQCRNHYCCV-HNAYVOBHSA-N 1 0 324.424 3.075 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000261726858 203102875 /nfs/dbraw/zinc/10/28/75/203102875.db2.gz KPLQGYDEBYKLCM-GXFFZTMASA-N 1 0 307.825 3.370 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCc1c(Cl)cccc1Cl ZINC000261783359 203116307 /nfs/dbraw/zinc/11/63/07/203116307.db2.gz PKYXTUXYHLWDCF-IINYFYTJSA-N 1 0 315.244 3.170 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)n1 ZINC000468999437 244079241 /nfs/dbraw/zinc/07/92/41/244079241.db2.gz QFVXCNDUIMRXPQ-KGLIPLIRSA-N 1 0 322.474 3.421 10 0 DGAERO O[C@@H](C[NH+]1CCC(Cc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000469596230 244112637 /nfs/dbraw/zinc/11/26/37/244112637.db2.gz DMXPHFYVLRFUGM-OAHLLOKOSA-N 1 0 319.342 3.394 10 0 DGAERO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000470944166 244196629 /nfs/dbraw/zinc/19/66/29/244196629.db2.gz ISRABVRMTSWLII-ZWNOBZJWSA-N 1 0 301.308 3.246 10 0 DGAERO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470950740 244197344 /nfs/dbraw/zinc/19/73/44/244197344.db2.gz VJSDQGYAEZWEQO-MGPQQGTHSA-N 1 0 317.351 3.007 10 0 DGAERO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000470944342 244197691 /nfs/dbraw/zinc/19/76/91/244197691.db2.gz JNCHEFURDAHIML-GZBFAFLISA-N 1 0 317.351 3.007 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000471792900 244248436 /nfs/dbraw/zinc/24/84/36/244248436.db2.gz LQLJDFWZFCMZLD-JFIYKMOQSA-N 1 0 300.377 3.467 10 0 DGAERO CO[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000471827363 244254997 /nfs/dbraw/zinc/25/49/97/244254997.db2.gz QDTVBCVDFKVWOX-CVEARBPZSA-N 1 0 305.418 3.299 10 0 DGAERO COc1c(Br)cccc1C[NH2+][C@H]1CC[C@@H](OC)C1 ZINC000471823769 244255207 /nfs/dbraw/zinc/25/52/07/244255207.db2.gz ZELBKSXWVAXTDT-NWDGAFQWSA-N 1 0 314.223 3.115 10 0 DGAERO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1C[C@H]1C ZINC000471604705 244222423 /nfs/dbraw/zinc/22/24/23/244222423.db2.gz KEPZINICXRVNBR-KFWWJZLASA-N 1 0 314.429 3.087 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ncc(Br)cc2F)C1 ZINC000471768130 244243206 /nfs/dbraw/zinc/24/32/06/244243206.db2.gz DQHJYCMLZIFEAR-FBIMIBRVSA-N 1 0 317.202 3.201 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000471776814 244243899 /nfs/dbraw/zinc/24/38/99/244243899.db2.gz YJVTWPXEDWSEJS-KZNAEPCWSA-N 1 0 300.377 3.467 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000471776813 244244668 /nfs/dbraw/zinc/24/46/68/244244668.db2.gz YJVTWPXEDWSEJS-KURKYZTESA-N 1 0 300.377 3.467 10 0 DGAERO C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC[NH2+]1 ZINC000262335996 203265281 /nfs/dbraw/zinc/26/52/81/203265281.db2.gz FNPVTVJFGOWIAA-STQMWFEESA-N 1 0 316.401 3.055 10 0 DGAERO CCOc1ccc(OCC[NH2+]C2(CCO)CCCCC2)cc1 ZINC000474278136 244383390 /nfs/dbraw/zinc/38/33/90/244383390.db2.gz VRDSMLKYMDZGLV-UHFFFAOYSA-N 1 0 307.434 3.139 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000119602320 284146763 /nfs/dbraw/zinc/14/67/63/284146763.db2.gz SWWNCBWVIFZRLE-UHFFFAOYSA-N 1 0 324.852 3.476 10 0 DGAERO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(Cl)c1OC ZINC000093437694 193251390 /nfs/dbraw/zinc/25/13/90/193251390.db2.gz GAUKMRSDKGDWJS-TZMCWYRMSA-N 1 0 324.852 3.026 10 0 DGAERO O=C(N[C@H]1CCCC(F)(F)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000488984890 284168642 /nfs/dbraw/zinc/16/86/42/284168642.db2.gz QLCRGEMYASXZMX-JKSUJKDBSA-N 1 0 322.399 3.345 10 0 DGAERO Cc1cccn2c(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cnc12 ZINC000093636836 193279269 /nfs/dbraw/zinc/27/92/69/193279269.db2.gz NIKXIIDQCMYTDG-SJORKVTESA-N 1 0 312.461 3.090 10 0 DGAERO COc1c(C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)c(C)nn1C ZINC000093535068 193266495 /nfs/dbraw/zinc/26/64/95/193266495.db2.gz VCAICEIOXQXJGA-AWEZNQCLSA-N 1 0 301.434 3.109 10 0 DGAERO CC(C)Cc1ncc(CN2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000093604637 193272147 /nfs/dbraw/zinc/27/21/47/193272147.db2.gz MOMUTFOSFHJKTH-HNNXBMFYSA-N 1 0 307.507 3.259 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](Cc3ccnn3C)C2)n1 ZINC000093613005 193274510 /nfs/dbraw/zinc/27/45/10/193274510.db2.gz HEXMVEDKZCPRMM-ZDUSSCGKSA-N 1 0 304.463 3.380 10 0 DGAERO CC1(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000478411374 244612991 /nfs/dbraw/zinc/61/29/91/244612991.db2.gz MUVLMSRIFIWEQJ-INIZCTEOSA-N 1 0 307.482 3.084 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2c(F)cccc2N2CCCC2)CC[N@@H+]1C ZINC000093645015 193281802 /nfs/dbraw/zinc/28/18/02/193281802.db2.gz KVFGPPBWRWHDSS-CVEARBPZSA-N 1 0 319.468 3.340 10 0 DGAERO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@@H](C)CS(C)(=O)=O ZINC000120560839 284172609 /nfs/dbraw/zinc/17/26/09/284172609.db2.gz SCOZEVDCPBCBBG-NVXWUHKLSA-N 1 0 311.491 3.010 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(Cl)ccc1Cl ZINC000094460471 193370735 /nfs/dbraw/zinc/37/07/35/193370735.db2.gz XOVKRMBBVAQKSY-GHMZBOCLSA-N 1 0 300.233 3.057 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279678835 296151408 /nfs/dbraw/zinc/15/14/08/296151408.db2.gz GTCKJTWSWYYKOV-LZWOXQAQSA-N 1 0 319.449 3.378 10 0 DGAERO CCCc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000481603942 244770342 /nfs/dbraw/zinc/77/03/42/244770342.db2.gz CMMFOBTXJBBEHG-UHFFFAOYSA-N 1 0 302.462 3.491 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300395829 296151679 /nfs/dbraw/zinc/15/16/79/296151679.db2.gz LCEYWUGCANZGBB-RDBSUJKOSA-N 1 0 322.453 3.096 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000181292377 432121610 /nfs/dbraw/zinc/12/16/10/432121610.db2.gz FCVFSRMZNYFTEV-WMZOPIPTSA-N 1 0 302.462 3.116 10 0 DGAERO C[N@H+](CCNC(=O)CCCc1cccs1)C1CCCCC1 ZINC000122161234 284214034 /nfs/dbraw/zinc/21/40/34/284214034.db2.gz BYMGCQCNLDIYLJ-UHFFFAOYSA-N 1 0 308.491 3.452 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000181292359 432122103 /nfs/dbraw/zinc/12/21/03/432122103.db2.gz FCVFSRMZNYFTEV-FUHWJXTLSA-N 1 0 302.462 3.116 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)C(c1ccccc1)c1ccccc1 ZINC000133011797 299414993 /nfs/dbraw/zinc/41/49/93/299414993.db2.gz MOXKJQCFWITRQP-LPHOPBHVSA-N 1 0 322.452 3.417 10 0 DGAERO Cc1ccc([C@H](C)C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000487332157 245052283 /nfs/dbraw/zinc/05/22/83/245052283.db2.gz ZISXTGMMUCWBBA-GFCCVEGCSA-N 1 0 322.250 3.384 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000487859722 245114978 /nfs/dbraw/zinc/11/49/78/245114978.db2.gz OTJFEKBZCCGQEH-IRXDYDNUSA-N 1 0 318.486 3.008 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000123393632 284237629 /nfs/dbraw/zinc/23/76/29/284237629.db2.gz STJZRGMAOIJNJD-VXGBXAGGSA-N 1 0 317.260 3.365 10 0 DGAERO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CS1 ZINC000488417477 245188539 /nfs/dbraw/zinc/18/85/39/245188539.db2.gz DUUNCQSJBPJXPI-NVXWUHKLSA-N 1 0 301.459 3.492 10 0 DGAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000488803124 245235525 /nfs/dbraw/zinc/23/55/25/245235525.db2.gz PCEAVIOTRDZDOE-NVXWUHKLSA-N 1 0 321.424 3.204 10 0 DGAERO C[C@H]1[C@@H](CO)CC[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000488807117 245236439 /nfs/dbraw/zinc/23/64/39/245236439.db2.gz OKANBDUTCRJMRD-WDEREUQCSA-N 1 0 304.217 3.075 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2C[C@H](C)c3c2cccc3C)C1 ZINC000489072093 245269970 /nfs/dbraw/zinc/26/99/70/245269970.db2.gz KRRXLBJBFOZQJP-BBWFWOEESA-N 1 0 314.473 3.434 10 0 DGAERO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246362149 432123440 /nfs/dbraw/zinc/12/34/40/432123440.db2.gz NIHQJCZDIMWHOD-YPMHNXCESA-N 1 0 317.260 3.317 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000124259007 284255812 /nfs/dbraw/zinc/25/58/12/284255812.db2.gz RGDXEYKLUICDQG-HXUWFJFHSA-N 1 0 311.473 3.499 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)c1ccccc1F ZINC000124427838 284258802 /nfs/dbraw/zinc/25/88/02/284258802.db2.gz XXUNKRWLFDYJAU-CQSZACIVSA-N 1 0 306.425 3.094 10 0 DGAERO CC(C)C[C@@H](CNC(=O)C(C)(C)c1ccccc1F)[NH+](C)C ZINC000124445899 284259327 /nfs/dbraw/zinc/25/93/27/284259327.db2.gz USODSOWHYOTXFZ-AWEZNQCLSA-N 1 0 308.441 3.196 10 0 DGAERO CN(CCc1cccs1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125360240 284274069 /nfs/dbraw/zinc/27/40/69/284274069.db2.gz JTRGSWCHKWFKOX-UHFFFAOYSA-N 1 0 323.506 3.052 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246373767 432124787 /nfs/dbraw/zinc/12/47/87/432124787.db2.gz QJQXSBHIHRTLMF-JYJNAYRXSA-N 1 0 303.450 3.180 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cccc(Cl)c1Cl ZINC000282469737 217017678 /nfs/dbraw/zinc/01/76/78/217017678.db2.gz WFUZPWAMQUKOHB-AUTRQRHGSA-N 1 0 301.217 3.311 10 0 DGAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000282518592 217056032 /nfs/dbraw/zinc/05/60/32/217056032.db2.gz ZNYOLIRYJDYTBU-BIMULSAOSA-N 1 0 310.850 3.134 10 0 DGAERO O=C1CCCN1CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000013727838 181885124 /nfs/dbraw/zinc/88/51/24/181885124.db2.gz KRNKBHCEKFXIQC-UHFFFAOYSA-N 1 0 301.217 3.096 10 0 DGAERO CCOc1ccc(C[NH2+]CCCCCO)cc1Br ZINC000013727318 181885164 /nfs/dbraw/zinc/88/51/64/181885164.db2.gz HNDRDMXABZKRRH-UHFFFAOYSA-N 1 0 316.239 3.100 10 0 DGAERO c1cc2cccc(C[NH2+]Cc3cnnn3Cc3ccccc3)c2[nH]1 ZINC000491401348 245504081 /nfs/dbraw/zinc/50/40/81/245504081.db2.gz PBYOGSCEQLNQMG-UHFFFAOYSA-N 1 0 317.396 3.098 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000246395889 432127282 /nfs/dbraw/zinc/12/72/82/432127282.db2.gz JBYILEIHJOYXDK-IRXDYDNUSA-N 1 0 319.424 3.060 10 0 DGAERO Cc1ccc(C[C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000246398892 432127234 /nfs/dbraw/zinc/12/72/34/432127234.db2.gz RJNGWQNNZSPYCH-KCQAQPDRSA-N 1 0 323.506 3.112 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CSC2(C)C)c(Cl)c1OC ZINC000282865606 217287443 /nfs/dbraw/zinc/28/74/43/217287443.db2.gz QRGLQINNSAVIMC-LLVKDONJSA-N 1 0 301.839 3.341 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000246415798 432129055 /nfs/dbraw/zinc/12/90/55/432129055.db2.gz VFNBQMFITUBXMM-FHLIZLRMSA-N 1 0 315.461 3.046 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000246420841 432129265 /nfs/dbraw/zinc/12/92/65/432129265.db2.gz SDCFZBFTOHHSEK-RDJZCZTQSA-N 1 0 318.461 3.132 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000128640869 284381960 /nfs/dbraw/zinc/38/19/60/284381960.db2.gz PYWOESFWYWTLRE-HZMVEIRTSA-N 1 0 309.498 3.184 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1cncc(F)c1 ZINC000282959670 217351616 /nfs/dbraw/zinc/35/16/16/217351616.db2.gz YHOAVYMIJBLOCG-NWDGAFQWSA-N 1 0 311.401 3.127 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1)c1ccc(F)cc1 ZINC000246429457 432129918 /nfs/dbraw/zinc/12/99/18/432129918.db2.gz CMDYKJPQBVFEAA-RCCFBDPRSA-N 1 0 307.409 3.283 10 0 DGAERO [NH3+][C@@H](c1ccccc1)c1ccccc1I ZINC000019421508 182122172 /nfs/dbraw/zinc/12/21/72/182122172.db2.gz YACRXAUWVDSWQM-ZDUSSCGKSA-N 1 0 309.150 3.339 10 0 DGAERO [NH3+][C@@H](c1ccc(Br)cc1)[C@H]1COc2ccccc2O1 ZINC000019511099 182126801 /nfs/dbraw/zinc/12/68/01/182126801.db2.gz XYUMPGPHIKLPMK-CABCVRRESA-N 1 0 320.186 3.289 10 0 DGAERO NC(=[NH2+])c1ccc(COc2ccccc2Br)c(F)c1 ZINC000019514238 182127489 /nfs/dbraw/zinc/12/74/89/182127489.db2.gz IJBPCYVXSDVQLI-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)no1 ZINC000171409027 432131204 /nfs/dbraw/zinc/13/12/04/432131204.db2.gz JNGHVDFAGUNGTD-AWEZNQCLSA-N 1 0 305.809 3.486 10 0 DGAERO CCSc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cn1 ZINC000129432691 284409675 /nfs/dbraw/zinc/40/96/75/284409675.db2.gz JTSLPYXZPOUTGP-UHFFFAOYSA-N 1 0 321.490 3.044 10 0 DGAERO CC[NH+](CC)CCNCc1ccc(F)c(Br)c1 ZINC000019919608 182164593 /nfs/dbraw/zinc/16/45/93/182164593.db2.gz JCYWHXRRUYAXDH-UHFFFAOYSA-N 1 0 303.219 3.020 10 0 DGAERO CCCC[C@@H](COC)[NH2+]CCc1csc(N2CCCC2)n1 ZINC000129507477 284412543 /nfs/dbraw/zinc/41/25/43/284412543.db2.gz YHVYXIVAUYNKDV-AWEZNQCLSA-N 1 0 311.495 3.081 10 0 DGAERO C[C@H]([NH2+][C@H]1CN2CCC1CC2)c1ccccc1Br ZINC000019946820 182169528 /nfs/dbraw/zinc/16/95/28/182169528.db2.gz HYUOMEYEBYSUMG-NHYWBVRUSA-N 1 0 309.251 3.194 10 0 DGAERO CC[NH+](CC)CCC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000019981225 182172859 /nfs/dbraw/zinc/17/28/59/182172859.db2.gz KQQMTXDGPKGBMG-UHFFFAOYSA-N 1 0 304.221 3.246 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)c1ccccc1 ZINC000246455797 432131741 /nfs/dbraw/zinc/13/17/41/432131741.db2.gz UTRLYVQWTJWJKN-UAGQMJEPSA-N 1 0 301.434 3.016 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)C(C)C)cc(Br)c1O ZINC000020305396 182205033 /nfs/dbraw/zinc/20/50/33/182205033.db2.gz NDIDOAYEEIHQAN-VIFPVBQESA-N 1 0 302.212 3.297 10 0 DGAERO Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246453995 432133165 /nfs/dbraw/zinc/13/31/65/432133165.db2.gz USAUOGZSQKXSGO-XYJFISCASA-N 1 0 317.477 3.050 10 0 DGAERO CC[NH+](CC)CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130136673 284434258 /nfs/dbraw/zinc/43/42/58/284434258.db2.gz SKCLPLRRKNJVMV-MRXNPFEDSA-N 1 0 316.445 3.281 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1ccc(C)s1 ZINC000246471767 432133519 /nfs/dbraw/zinc/13/35/19/432133519.db2.gz GWZYHGJBLOSKBV-CVEARBPZSA-N 1 0 320.502 3.464 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1F)c1ccco1 ZINC000246459507 432133867 /nfs/dbraw/zinc/13/38/67/432133867.db2.gz FQVZDSVJPZHIDO-KBRIMQKVSA-N 1 0 319.376 3.040 10 0 DGAERO O=c1c2ccccc2ncn1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021925023 182299255 /nfs/dbraw/zinc/29/92/55/182299255.db2.gz QVLJMQVQJZLSCV-UHFFFAOYSA-N 1 0 319.408 3.234 10 0 DGAERO CC1CCN([C@H](C[NH3+])c2ccc(F)c(Br)c2)CC1 ZINC000022210065 182313457 /nfs/dbraw/zinc/31/34/57/182313457.db2.gz IOGDCGPEWAWXDX-CQSZACIVSA-N 1 0 315.230 3.320 10 0 DGAERO COc1ccc([C@@H](C)CC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000246465426 432134784 /nfs/dbraw/zinc/13/47/84/432134784.db2.gz WICKLGQKODEZDV-JKSUJKDBSA-N 1 0 318.461 3.179 10 0 DGAERO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(Cl)c(F)c1 ZINC000135687959 284486430 /nfs/dbraw/zinc/48/64/30/284486430.db2.gz AJFHJFYFIYGAKB-SNVBAGLBSA-N 1 0 300.805 3.435 10 0 DGAERO Clc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c2c(c1)COCO2 ZINC000246479826 432136356 /nfs/dbraw/zinc/13/63/56/432136356.db2.gz DEPGJEZKSNJSIH-LRDDRELGSA-N 1 0 323.820 3.207 10 0 DGAERO CC[C@@H](C)[C@@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccccn1 ZINC000027521973 182475009 /nfs/dbraw/zinc/47/50/09/182475009.db2.gz FLQLIOAESQMRTQ-VQIMIIECSA-N 1 0 319.493 3.360 10 0 DGAERO C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1n1ccnc1 ZINC000246478000 432137239 /nfs/dbraw/zinc/13/72/39/432137239.db2.gz FTORQEHLHFGYFQ-VQIMIIECSA-N 1 0 321.428 3.152 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000137939416 284522372 /nfs/dbraw/zinc/52/23/72/284522372.db2.gz IRFKQFZZQHQSDG-HJOIGYKYSA-N 1 0 317.477 3.476 10 0 DGAERO Fc1ccc(OC2CC[NH+](CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000181706631 432141544 /nfs/dbraw/zinc/14/15/44/432141544.db2.gz AWJKQUKOHNCEQW-GOSISDBHSA-N 1 0 323.408 3.212 10 0 DGAERO CC[C@H](CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000171534938 432141922 /nfs/dbraw/zinc/14/19/22/432141922.db2.gz IZNXEUWNINROQW-SJLPKXTDSA-N 1 0 300.446 3.267 10 0 DGAERO COC(=O)c1occc1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000035276406 182767176 /nfs/dbraw/zinc/76/71/76/182767176.db2.gz KKPUOPVXLTWXKB-UHFFFAOYSA-N 1 0 305.296 3.277 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000036825301 182845749 /nfs/dbraw/zinc/84/57/49/182845749.db2.gz WMPQGQMANLSTMN-JOYOIKCWSA-N 1 0 317.216 3.089 10 0 DGAERO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000136048082 432143020 /nfs/dbraw/zinc/14/30/20/432143020.db2.gz MUEGNPMIWKBPQB-AWEZNQCLSA-N 1 0 309.417 3.008 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000246561279 432143065 /nfs/dbraw/zinc/14/30/65/432143065.db2.gz KQEXNKQYEBDZIM-KBPBESRZSA-N 1 0 307.438 3.246 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000246551448 432143894 /nfs/dbraw/zinc/14/38/94/432143894.db2.gz CYXPWKXBDYYJDT-ZWKOTPCHSA-N 1 0 316.489 3.494 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn2cc(Cl)ccc2n1 ZINC000136078784 432145394 /nfs/dbraw/zinc/14/53/94/432145394.db2.gz NHTPWPADASSUHF-JKSUJKDBSA-N 1 0 318.852 3.046 10 0 DGAERO O=C(CCc1cccs1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171583707 432147706 /nfs/dbraw/zinc/14/77/06/432147706.db2.gz DGQGZKXMIATLIA-OAHLLOKOSA-N 1 0 306.475 3.158 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000246590779 432147629 /nfs/dbraw/zinc/14/76/29/432147629.db2.gz GQJVCBSYEFMULT-WDEREUQCSA-N 1 0 321.412 3.324 10 0 DGAERO COC(=O)CCCC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000037636415 182914953 /nfs/dbraw/zinc/91/49/53/182914953.db2.gz HZURKLAQBATUPB-LBPRGKRZSA-N 1 0 300.196 3.182 10 0 DGAERO COc1cc(CC[NH3+])cc(Br)c1OC/C=C/Cl ZINC000037720619 182920082 /nfs/dbraw/zinc/92/00/82/182920082.db2.gz SAQZYBRZFWFLFP-DUXPYHPUSA-N 1 0 320.614 3.090 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037804927 182927889 /nfs/dbraw/zinc/92/78/89/182927889.db2.gz YOGBDCRRIUXDAE-BPUTZDHNSA-N 1 0 306.837 3.219 10 0 DGAERO O[C@H](C[NH2+]CCc1ccco1)c1cc(Cl)ccc1Cl ZINC000038059467 182983940 /nfs/dbraw/zinc/98/39/40/182983940.db2.gz XYXYTMLSYPRMJA-CQSZACIVSA-N 1 0 300.185 3.452 10 0 DGAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1C[C@H]1C1CC1 ZINC000246610777 432148888 /nfs/dbraw/zinc/14/88/88/432148888.db2.gz WXVKZIXOWJNZOJ-FHWLQOOXSA-N 1 0 312.457 3.203 10 0 DGAERO [NH3+]CCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040410161 183062760 /nfs/dbraw/zinc/06/27/60/183062760.db2.gz QAJRTEHIPKJXQL-UHFFFAOYSA-N 1 0 309.291 3.198 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)[C@@H](C)O1 ZINC000527790773 295130727 /nfs/dbraw/zinc/13/07/27/295130727.db2.gz KNRPHROGOUPYDT-XLDPMVHQSA-N 1 0 320.177 3.383 10 0 DGAERO CCc1ccc(Oc2nc[nH+]c(NNC(C)(C)C)c2N)cc1 ZINC000040796700 183134972 /nfs/dbraw/zinc/13/49/72/183134972.db2.gz KODCXEHOGLDLTJ-UHFFFAOYSA-N 1 0 301.394 3.129 10 0 DGAERO CC(C)c1ccc([C@H]([NH3+])CS(=O)(=O)c2ccccc2)cc1 ZINC000041518044 183196873 /nfs/dbraw/zinc/19/68/73/183196873.db2.gz BXHRPMMRPSXQAU-QGZVFWFLSA-N 1 0 303.427 3.284 10 0 DGAERO CCc1ccc([C@@H]([NH3+])CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000041518024 183196987 /nfs/dbraw/zinc/19/69/87/183196987.db2.gz PKAFBEFATOFOQV-KRWDZBQOSA-N 1 0 303.427 3.031 10 0 DGAERO Cc1nn(-c2ccc(Br)cc2C)c(C)c1CC[NH3+] ZINC000041541329 183201504 /nfs/dbraw/zinc/20/15/04/183201504.db2.gz RYUWBQDBWNZREC-UHFFFAOYSA-N 1 0 308.223 3.061 10 0 DGAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000042167682 183238097 /nfs/dbraw/zinc/23/80/97/183238097.db2.gz BFFFILHSEGQBTN-GXFFZTMASA-N 1 0 300.324 3.025 10 0 DGAERO CCOc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc(C)o1 ZINC000136217696 432149939 /nfs/dbraw/zinc/14/99/39/432149939.db2.gz LSLJODDVSRJGKU-UHFFFAOYSA-N 1 0 316.401 3.447 10 0 DGAERO CCCN(CC[NH2+]C)Cc1cc(Br)ccc1F ZINC000042404089 183264574 /nfs/dbraw/zinc/26/45/74/183264574.db2.gz HADOKHYQMJWGJI-UHFFFAOYSA-N 1 0 303.219 3.020 10 0 DGAERO C[NH2+]C[C@@H]1CCCCN1Cc1cc(Br)ccc1F ZINC000042407706 183265174 /nfs/dbraw/zinc/26/51/74/183265174.db2.gz MLWHVXZSPSLGNT-ZDUSSCGKSA-N 1 0 315.230 3.162 10 0 DGAERO CCOCCOc1c(Br)cccc1C[C@@H]([NH3+])CC ZINC000042412834 183266714 /nfs/dbraw/zinc/26/67/14/183266714.db2.gz JZZYESQCLIEWKJ-LBPRGKRZSA-N 1 0 316.239 3.144 10 0 DGAERO C[C@@H]([NH2+]C1CCS(=O)CC1)c1cccc(Br)c1 ZINC000042336428 183255961 /nfs/dbraw/zinc/25/59/61/183255961.db2.gz IJCJBOIEDIHMHO-OPFFKBQKSA-N 1 0 316.264 3.011 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000153395042 284669543 /nfs/dbraw/zinc/66/95/43/284669543.db2.gz XPNWELTWJGWQQS-UHFFFAOYSA-N 1 0 313.445 3.327 10 0 DGAERO CC[C@H](C)N(CCOC)c1cc(Br)ccc1C[NH3+] ZINC000042588527 183288903 /nfs/dbraw/zinc/28/89/03/183288903.db2.gz PZIUMFKHPATILW-NSHDSACASA-N 1 0 315.255 3.159 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)n1cc(Br)cn1 ZINC000042915960 183318126 /nfs/dbraw/zinc/31/81/26/183318126.db2.gz CCASSYLUFVSREN-OLZOCXBDSA-N 1 0 312.186 3.111 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](SCCC(=O)OC)c1ccc(Cl)cc1 ZINC000042951119 183320894 /nfs/dbraw/zinc/32/08/94/183320894.db2.gz UMIRYCVGOPFNMR-OCCSQVGLSA-N 1 0 301.839 3.415 10 0 DGAERO [NH3+]C[C@@H](c1ccc(Br)cc1)n1cnc2ccccc21 ZINC000042955900 183322632 /nfs/dbraw/zinc/32/26/32/183322632.db2.gz PGYVRSVFRNAUFY-HNNXBMFYSA-N 1 0 316.202 3.347 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000043004209 183326756 /nfs/dbraw/zinc/32/67/56/183326756.db2.gz YIYZYIVMGAFMJZ-LLVKDONJSA-N 1 0 317.886 3.494 10 0 DGAERO CCOC(=O)CS[C@@H](c1cccc(Cl)c1)[C@@H]([NH3+])CC ZINC000043019560 183328581 /nfs/dbraw/zinc/32/85/81/183328581.db2.gz QREGFLALUNLJKX-JSGCOSHPSA-N 1 0 301.839 3.415 10 0 DGAERO C[C@@H]([NH3+])[C@H](OC1CCOCC1)c1cccc(Br)c1 ZINC000043024014 183331365 /nfs/dbraw/zinc/33/13/65/183331365.db2.gz GRHZBROFRNHCGN-YGRLFVJLSA-N 1 0 314.223 3.033 10 0 DGAERO CC(C)CN(CC[NH+](C)C)CC(=O)c1ccc(Cl)s1 ZINC000042775657 183307449 /nfs/dbraw/zinc/30/74/49/183307449.db2.gz HEURCFIMWCQGSK-UHFFFAOYSA-N 1 0 302.871 3.104 10 0 DGAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)n1cc(Cl)cn1 ZINC000043093808 183336725 /nfs/dbraw/zinc/33/67/25/183336725.db2.gz GTHUKFKDTRSQSB-PELKAZGASA-N 1 0 314.614 3.236 10 0 DGAERO CCc1c(C)nn([C@H](C[NH3+])c2ccccc2Br)c1C ZINC000043093866 183336816 /nfs/dbraw/zinc/33/68/16/183336816.db2.gz SELCKRVFPFROSY-OAHLLOKOSA-N 1 0 322.250 3.373 10 0 DGAERO [NH3+]C[C@@H](Oc1ccc(CO)cc1)c1ccccc1Br ZINC000043095529 183337439 /nfs/dbraw/zinc/33/74/39/183337439.db2.gz AMPLDMAJNLDFKC-OAHLLOKOSA-N 1 0 322.202 3.020 10 0 DGAERO C[C@@H]([NH3+])[C@@H](OC1CCOCC1)c1ccccc1Br ZINC000043095578 183337577 /nfs/dbraw/zinc/33/75/77/183337577.db2.gz XUEUVDINQLXQAI-QMTHXVAHSA-N 1 0 314.223 3.033 10 0 DGAERO Cc1cnc(S[C@@H](C[NH3+])c2ccccc2Br)nc1 ZINC000043096527 183338032 /nfs/dbraw/zinc/33/80/32/183338032.db2.gz RISAICCEFRPYRT-LBPRGKRZSA-N 1 0 324.247 3.340 10 0 DGAERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCCCC1 ZINC000043258735 183347900 /nfs/dbraw/zinc/34/79/00/183347900.db2.gz RQHRWNGGAKQEAL-JOYOIKCWSA-N 1 0 303.269 3.385 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)n1ccnc1C ZINC000043093686 183336523 /nfs/dbraw/zinc/33/65/23/183336523.db2.gz OKGJRGDIFNOQIE-UONOGXRCSA-N 1 0 308.223 3.281 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105032798 194066135 /nfs/dbraw/zinc/06/61/35/194066135.db2.gz KGLBGMQTLRMFFB-WMLDXEAASA-N 1 0 317.433 3.096 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C)s1 ZINC000105131094 194077760 /nfs/dbraw/zinc/07/77/60/194077760.db2.gz MIOVNZCINKWWDB-UKRRQHHQSA-N 1 0 321.490 3.306 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)o1 ZINC000105087088 194071691 /nfs/dbraw/zinc/07/16/91/194071691.db2.gz QKBPDYOKUURADV-CVEARBPZSA-N 1 0 319.449 3.309 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(c3cccnn3)C1)CCC2 ZINC000180929604 284737892 /nfs/dbraw/zinc/73/78/92/284737892.db2.gz QAVQQDUCOVJSRS-HKUYNNGSSA-N 1 0 322.456 3.421 10 0 DGAERO CC1CCC2(CC1)NCC[NH+]=C2NCc1ccccc1Cl ZINC000046153098 183555148 /nfs/dbraw/zinc/55/51/48/183555148.db2.gz WXDLWGPLJWDEMJ-UHFFFAOYSA-N 1 0 305.853 3.380 10 0 DGAERO c1cc(-c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)no1 ZINC000273844130 211105947 /nfs/dbraw/zinc/10/59/47/211105947.db2.gz FNXZKDGQASGPLL-UHFFFAOYSA-N 1 0 310.357 3.378 10 0 DGAERO C=Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000185430317 284757293 /nfs/dbraw/zinc/75/72/93/284757293.db2.gz FSHQICKUHORRFT-LJQANCHMSA-N 1 0 308.425 3.232 10 0 DGAERO C[C@H](c1ccc(F)cc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805051 194134242 /nfs/dbraw/zinc/13/42/42/194134242.db2.gz JDPJBCQSMDSDLG-CYBMUJFWSA-N 1 0 300.381 3.253 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1F)CC2 ZINC000105874288 194152681 /nfs/dbraw/zinc/15/26/81/194152681.db2.gz PKBLDNLGKBDRKX-CHWSQXEVSA-N 1 0 302.397 3.206 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)CC2 ZINC000105874326 194152860 /nfs/dbraw/zinc/15/28/60/194152860.db2.gz FQNCPLPMXHMMNV-NEPJUHHUSA-N 1 0 320.387 3.345 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)CC2 ZINC000105874331 194153766 /nfs/dbraw/zinc/15/37/66/194153766.db2.gz HVFZBUSZOMHGCG-WFASDCNBSA-N 1 0 302.397 3.206 10 0 DGAERO FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105883209 194155191 /nfs/dbraw/zinc/15/51/91/194155191.db2.gz CZCCFXGEIYDXOC-AWEZNQCLSA-N 1 0 324.350 3.209 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ccc([C@@H]3C[C@@H]3C)o1)CC2 ZINC000105908046 194166937 /nfs/dbraw/zinc/16/69/37/194166937.db2.gz DFRJSYZJSUCBKB-GZBFAFLISA-N 1 0 314.433 3.223 10 0 DGAERO Cc1nc(CN2CCC[N@H+](Cc3ccccc3F)CC2)cs1 ZINC000106145992 194188519 /nfs/dbraw/zinc/18/85/19/194188519.db2.gz FQFQPLKIHWTUNZ-UHFFFAOYSA-N 1 0 319.449 3.299 10 0 DGAERO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)CC1CCCC1 ZINC000106160654 194189846 /nfs/dbraw/zinc/18/98/46/194189846.db2.gz AZXWRQRWCIHULQ-MRXNPFEDSA-N 1 0 308.491 3.243 10 0 DGAERO COc1cccc([C@H]2C[C@H]2C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000106615555 194237835 /nfs/dbraw/zinc/23/78/35/194237835.db2.gz CCOAAMAFUQYZGH-RTBURBONSA-N 1 0 324.424 3.499 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(C(F)F)cc1 ZINC000184213639 284804935 /nfs/dbraw/zinc/80/49/35/284804935.db2.gz PYYOJTAQJZAGLF-GFCCVEGCSA-N 1 0 313.392 3.154 10 0 DGAERO Cc1ccc(CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000107523395 194255964 /nfs/dbraw/zinc/25/59/64/194255964.db2.gz UVVVAWDZUGZQBR-GOSISDBHSA-N 1 0 300.446 3.014 10 0 DGAERO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052762940 183871016 /nfs/dbraw/zinc/87/10/16/183871016.db2.gz RBTRAORZOJGOGJ-ZDUSSCGKSA-N 1 0 306.431 3.448 10 0 DGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000052762320 183871201 /nfs/dbraw/zinc/87/12/01/183871201.db2.gz DHTCPJGZLKEHHF-ZDUSSCGKSA-N 1 0 303.324 3.322 10 0 DGAERO Cc1ccc(CC(=O)NCCCCC[NH+]2CCCCC2)s1 ZINC000110439258 194330130 /nfs/dbraw/zinc/33/01/30/194330130.db2.gz ACPBILSFEDIKQS-UHFFFAOYSA-N 1 0 308.491 3.371 10 0 DGAERO [NH3+][C@H](Cc1ccccn1)Cc1ccc(F)cc1Br ZINC000053818131 183913626 /nfs/dbraw/zinc/91/36/26/183913626.db2.gz FYLRYUITZJDBRR-LBPRGKRZSA-N 1 0 309.182 3.096 10 0 DGAERO O=C(Cc1ccc(Cl)c(Cl)c1)NCC[C@H]1CCC[NH2+]C1 ZINC000110791786 194359773 /nfs/dbraw/zinc/35/97/73/194359773.db2.gz KIJCNHXMCQTELS-LLVKDONJSA-N 1 0 315.244 3.042 10 0 DGAERO [NH3+][C@@H](c1ccccc1)[C@@H](O)c1ccc(Br)cc1F ZINC000054681952 183948393 /nfs/dbraw/zinc/94/83/93/183948393.db2.gz MQVCHQQAEHVCPO-KBPBESRZSA-N 1 0 310.166 3.322 10 0 DGAERO COc1ccc(OC)c([C@H](C[NH3+])Nc2ccccc2Cl)c1 ZINC000057637721 184043634 /nfs/dbraw/zinc/04/36/34/184043634.db2.gz OMKDWKNSWDIPJD-HNNXBMFYSA-N 1 0 306.793 3.469 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@@H](C)C1CCCCC1 ZINC000246273202 284881233 /nfs/dbraw/zinc/88/12/33/284881233.db2.gz AVPZJMFIRUYKOZ-DYEKYZERSA-N 1 0 320.399 3.344 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000246281188 284881813 /nfs/dbraw/zinc/88/18/13/284881813.db2.gz BODRUJKTJCRSSM-AGIUHOORSA-N 1 0 308.388 3.058 10 0 DGAERO COc1ccc([C@@H](C[NH3+])Nc2ccc(Cl)cc2)c(OC)c1 ZINC000057637753 184043389 /nfs/dbraw/zinc/04/33/89/184043389.db2.gz IZLCFDQATPXDOJ-OAHLLOKOSA-N 1 0 306.793 3.469 10 0 DGAERO Cc1nc2cc(NC(=O)N3CCC[N@@H+](C(C)C)CC3)ccc2o1 ZINC000268998105 207153855 /nfs/dbraw/zinc/15/38/55/207153855.db2.gz OHWBKTNGVYMIBG-UHFFFAOYSA-N 1 0 316.405 3.084 10 0 DGAERO CCCOC[C@H](Cc1cc(Br)ccc1F)[NH2+]C ZINC000060701861 184154443 /nfs/dbraw/zinc/15/44/43/184154443.db2.gz WVILVPPPNWPMLD-LBPRGKRZSA-N 1 0 304.203 3.145 10 0 DGAERO CCC[NH2+][C@@H](COC)Cc1cc(F)ccc1Br ZINC000060697761 184154520 /nfs/dbraw/zinc/15/45/20/184154520.db2.gz WVWAQXXMOFGAHK-GFCCVEGCSA-N 1 0 304.203 3.145 10 0 DGAERO [NH3+][C@@H](Cc1cccnc1)Cc1cc(F)ccc1Br ZINC000060707502 184154548 /nfs/dbraw/zinc/15/45/48/184154548.db2.gz HBKNCBTZEGKGPL-ZDUSSCGKSA-N 1 0 309.182 3.096 10 0 DGAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000061271712 184167061 /nfs/dbraw/zinc/16/70/61/184167061.db2.gz WJCWLKVTIGFQPS-SNVBAGLBSA-N 1 0 303.233 3.340 10 0 DGAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000061270191 184167075 /nfs/dbraw/zinc/16/70/75/184167075.db2.gz LKTRUAMRMKLWAW-GHMZBOCLSA-N 1 0 313.239 3.014 10 0 DGAERO C[C@@H]([NH3+])c1ccc(OCCc2ccccn2)c(Br)c1 ZINC000061699314 184183839 /nfs/dbraw/zinc/18/38/39/184183839.db2.gz OVKBHLJSAPLLTR-LLVKDONJSA-N 1 0 321.218 3.485 10 0 DGAERO C[C@H]([NH3+])c1ccc(OC2CCOCC2)c(Br)c1 ZINC000061699677 184183958 /nfs/dbraw/zinc/18/39/58/184183958.db2.gz CPUKJFXKHIZQBR-VIFPVBQESA-N 1 0 300.196 3.027 10 0 DGAERO Cc1ccc(Oc2ccnc(C(N)=[NH2+])c2)c(Br)c1 ZINC000061814567 184188511 /nfs/dbraw/zinc/18/85/11/184188511.db2.gz FTPUUHACIPMZPQ-UHFFFAOYSA-N 1 0 306.163 3.229 10 0 DGAERO Nc1c(Cc2ccccc2)[nH+]c2ccc(Br)cn12 ZINC000062431779 184235997 /nfs/dbraw/zinc/23/59/97/184235997.db2.gz SKTVZZRWHDDJAV-UHFFFAOYSA-N 1 0 302.175 3.270 10 0 DGAERO CC(C)[C@@H]1CN(CC(F)(F)F)[C@H](Cc2ccccc2)C[NH2+]1 ZINC000062713048 184249189 /nfs/dbraw/zinc/24/91/89/184249189.db2.gz QYORERLLMDXNIZ-CABCVRRESA-N 1 0 300.368 3.090 10 0 DGAERO CCC[C@@]1(C(=O)N(C)Cc2ccc(Cl)s2)CC[NH2+]C1 ZINC000062894580 184258804 /nfs/dbraw/zinc/25/88/04/184258804.db2.gz MLQXSQBDUZIOFJ-CQSZACIVSA-N 1 0 300.855 3.140 10 0 DGAERO CC[C@@]1(CN(C)Cc2ccccc2Br)CC[NH2+]C1 ZINC000062911572 184259437 /nfs/dbraw/zinc/25/94/37/184259437.db2.gz VCHBLHNGJLTECC-OAHLLOKOSA-N 1 0 311.267 3.271 10 0 DGAERO Cc1cc(Br)ccc1OCc1cccnc1C(N)=[NH2+] ZINC000063062079 184268898 /nfs/dbraw/zinc/26/88/98/184268898.db2.gz RZPWVVDRFRHLBA-UHFFFAOYSA-N 1 0 320.190 3.016 10 0 DGAERO O=C(C[NH2+]CCC(F)(F)F)Nc1c(Cl)cccc1Cl ZINC000063100179 184270862 /nfs/dbraw/zinc/27/08/62/184270862.db2.gz LDHYRPJBVYGTCB-UHFFFAOYSA-N 1 0 315.122 3.474 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(COC(C)C)c2)C1 ZINC000064533765 184299088 /nfs/dbraw/zinc/29/90/88/184299088.db2.gz JNCPNGAAEIUKPK-KRWDZBQOSA-N 1 0 319.449 3.217 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNc1nc(-c2cccc(C)c2)nnc1C ZINC000065195852 184314121 /nfs/dbraw/zinc/31/41/21/184314121.db2.gz ZJEMGVYOKSPCKR-MRXNPFEDSA-N 1 0 311.433 3.052 10 0 DGAERO CCCn1cnnc1[C@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000065287935 184322594 /nfs/dbraw/zinc/32/25/94/184322594.db2.gz JVHYODRWLRPAAQ-AWEZNQCLSA-N 1 0 304.463 3.438 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2cccc(OC3CCCC3)c2)CC1 ZINC000066395774 184406296 /nfs/dbraw/zinc/40/62/96/184406296.db2.gz COXXZAZCUFESAW-UHFFFAOYSA-N 1 0 316.445 3.174 10 0 DGAERO CCCCN(CC)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000114159799 194636783 /nfs/dbraw/zinc/63/67/83/194636783.db2.gz PTTHLRSIEDMXIU-UHFFFAOYSA-N 1 0 317.477 3.091 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000248553620 285004948 /nfs/dbraw/zinc/00/49/48/285004948.db2.gz HLXQIDYWYVXHFF-CABCVRRESA-N 1 0 314.395 3.434 10 0 DGAERO CC[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000087013372 252601549 /nfs/dbraw/zinc/60/15/49/252601549.db2.gz DMBAVNUNWCGLMV-BLLLJJGKSA-N 1 0 301.377 3.360 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@H]1C ZINC000248581694 285008000 /nfs/dbraw/zinc/00/80/00/285008000.db2.gz WBCDHBJRLFYSKI-RFGFWPKPSA-N 1 0 320.399 3.202 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093982467 252620442 /nfs/dbraw/zinc/62/04/42/252620442.db2.gz KJPPJFLMVYBZOQ-FZMZJTMJSA-N 1 0 316.214 3.229 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N1CC=C(c2cccs2)CC1 ZINC000118052997 194865084 /nfs/dbraw/zinc/86/50/84/194865084.db2.gz TYEPYVCXLIGUJF-UHFFFAOYSA-N 1 0 321.490 3.279 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1OCC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000248616217 285010861 /nfs/dbraw/zinc/01/08/61/285010861.db2.gz AJUHJABUVSIMSK-BDXSIMOUSA-N 1 0 324.509 3.161 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2nc3ccccc3n2C(F)F)CC[N@@H+]1C ZINC000173528539 252660039 /nfs/dbraw/zinc/66/00/39/252660039.db2.gz LMHMBHCAAGFOSW-QWHCGFSZSA-N 1 0 322.403 3.346 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000248737196 285021011 /nfs/dbraw/zinc/02/10/11/285021011.db2.gz CJIHJDXBWMEDAO-DABQJJPHSA-N 1 0 317.351 3.361 10 0 DGAERO CNC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccccc2Cl)o1)C(C)C ZINC000178950717 252741385 /nfs/dbraw/zinc/74/13/85/252741385.db2.gz BTGKDGACHHRQTA-INIZCTEOSA-N 1 0 320.820 3.460 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)c(Br)c1 ZINC000119624135 195004645 /nfs/dbraw/zinc/00/46/45/195004645.db2.gz KKGLCTWZGQCOPA-DIFFPNOSSA-N 1 0 318.280 3.004 10 0 DGAERO Cn1cccc1C[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000119171752 194986965 /nfs/dbraw/zinc/98/69/65/194986965.db2.gz FBRPYCXLXPWZAY-AWEZNQCLSA-N 1 0 319.399 3.058 10 0 DGAERO O[C@H](C[N@@H+]1CCCN(c2ccccc2)CC1)C1CCCCC1 ZINC000248869439 285034128 /nfs/dbraw/zinc/03/41/28/285034128.db2.gz CQMFOPKDNVRIOS-LJQANCHMSA-N 1 0 302.462 3.140 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000119695122 195019415 /nfs/dbraw/zinc/01/94/15/195019415.db2.gz OMQHMIQJADYOJH-CZUORRHYSA-N 1 0 315.392 3.159 10 0 DGAERO CCOCCN1CC[N@H+](CC[C@@H](C)c2ccccc2)C[C@H]1C ZINC000248887212 285036291 /nfs/dbraw/zinc/03/62/91/285036291.db2.gz MMQMYILMOHTOPT-QZTJIDSGSA-N 1 0 304.478 3.223 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1cnn(C)c1 ZINC000119674318 195015051 /nfs/dbraw/zinc/01/50/51/195015051.db2.gz OTYNXESXMOVFNM-APWZRJJASA-N 1 0 312.461 3.125 10 0 DGAERO CSc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1F ZINC000119798577 195039339 /nfs/dbraw/zinc/03/93/39/195039339.db2.gz HHWPLSFXUIPHPF-RISCZKNCSA-N 1 0 310.438 3.006 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000249082491 285052930 /nfs/dbraw/zinc/05/29/30/285052930.db2.gz MTKMWENJELSMQW-VHDGCEQUSA-N 1 0 313.388 3.360 10 0 DGAERO CCCC[C@@H](COC)[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119986939 195075225 /nfs/dbraw/zinc/07/52/25/195075225.db2.gz UDCGLYKRGYSUCY-KGLIPLIRSA-N 1 0 311.857 3.109 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000249096565 285055162 /nfs/dbraw/zinc/05/51/62/285055162.db2.gz OMHOJPURQSWYTF-YPMHNXCESA-N 1 0 314.351 3.100 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cncc(F)c1 ZINC000120001712 195078340 /nfs/dbraw/zinc/07/83/40/195078340.db2.gz IZWFESILVPIPMJ-RISCZKNCSA-N 1 0 320.799 3.199 10 0 DGAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000120098678 195097363 /nfs/dbraw/zinc/09/73/63/195097363.db2.gz BIBYRNAGOVUGES-GJZGRUSLSA-N 1 0 323.506 3.304 10 0 DGAERO COc1ccc([C@@H]2CC[N@H+](C[C@@H](O)CC3CCCC3)C2)cc1 ZINC000249128883 285058507 /nfs/dbraw/zinc/05/85/07/285058507.db2.gz UPRSACZSYBMGCY-MSOLQXFVSA-N 1 0 303.446 3.426 10 0 DGAERO Cc1ccc(-c2ncccc2NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)s1 ZINC000333101222 252936078 /nfs/dbraw/zinc/93/60/78/252936078.db2.gz AUTLIPUXRZJQRM-RYUDHWBXSA-N 1 0 316.430 3.072 10 0 DGAERO O=C(Nc1nc(C2CC2)cs1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333109829 252936280 /nfs/dbraw/zinc/93/62/80/252936280.db2.gz GFUYZUFBMPUFDH-ZDUSSCGKSA-N 1 0 320.462 3.016 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249193800 285062716 /nfs/dbraw/zinc/06/27/16/285062716.db2.gz PLKHFDPHTAMXQC-KBMXLJTQSA-N 1 0 302.466 3.089 10 0 DGAERO C[C@H](NC(=O)Nc1ccc2c(c1)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000333346744 252949312 /nfs/dbraw/zinc/94/93/12/252949312.db2.gz QRPNWSCZEUTSQH-XJKSGUPXSA-N 1 0 301.434 3.075 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000249291083 285066939 /nfs/dbraw/zinc/06/69/39/285066939.db2.gz KOFFRNQPFXCJDJ-OKZBNKHCSA-N 1 0 300.446 3.232 10 0 DGAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)C1=C(C)CCC1 ZINC000333953628 252981291 /nfs/dbraw/zinc/98/12/91/252981291.db2.gz DMMHFPBVQVLWPL-WMZOPIPTSA-N 1 0 314.429 3.186 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000249504556 285077303 /nfs/dbraw/zinc/07/73/03/285077303.db2.gz GAJVZNZVDUSPIP-OLMNPRSZSA-N 1 0 321.509 3.373 10 0 DGAERO COc1cc(Br)c(C[NH2+][C@@H]2CC[C@@H]2C)cc1OC ZINC000336787626 253000966 /nfs/dbraw/zinc/00/09/66/253000966.db2.gz FGNDMBRKNGISKU-JOYOIKCWSA-N 1 0 314.223 3.354 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cs1 ZINC000336819410 253003074 /nfs/dbraw/zinc/00/30/74/253003074.db2.gz ZQOIRULTFRLPSX-GOSISDBHSA-N 1 0 316.470 3.047 10 0 DGAERO CC[C@H](C[N@H+](CC)C[C@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000249480678 285075490 /nfs/dbraw/zinc/07/54/90/285075490.db2.gz WVQGONNHLUSCKT-JKSUJKDBSA-N 1 0 311.491 3.183 10 0 DGAERO C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249557519 285080317 /nfs/dbraw/zinc/08/03/17/285080317.db2.gz KIVDIUROKVAYTH-NWDGAFQWSA-N 1 0 317.260 3.053 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000336908197 253020802 /nfs/dbraw/zinc/02/08/02/253020802.db2.gz ZSQUXBKLNRPFFK-NSHDSACASA-N 1 0 320.177 3.384 10 0 DGAERO CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249604618 285082951 /nfs/dbraw/zinc/08/29/51/285082951.db2.gz ZHVPEJBTWWTDIC-ACJLOTCBSA-N 1 0 319.424 3.178 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2cc(C)sc2C)C1 ZINC000249807642 285089194 /nfs/dbraw/zinc/08/91/94/285089194.db2.gz XEOBNUUQQBCHDC-OCCSQVGLSA-N 1 0 309.479 3.209 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(OC(F)(F)F)cc1 ZINC000251751443 285098180 /nfs/dbraw/zinc/09/81/80/285098180.db2.gz RIVOMIGHUBRHEM-VHRBIJSZSA-N 1 0 303.324 3.397 10 0 DGAERO CC[C@H](C)[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000252007798 285101275 /nfs/dbraw/zinc/10/12/75/285101275.db2.gz YBNADUQRYYRUDP-BQFCYCMXSA-N 1 0 317.477 3.044 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC[C@@H]1C ZINC000252009945 285101362 /nfs/dbraw/zinc/10/13/62/285101362.db2.gz XMLQKGFMKVGGNT-KCQAQPDRSA-N 1 0 301.390 3.154 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)s1 ZINC000159037964 197320495 /nfs/dbraw/zinc/32/04/95/197320495.db2.gz WHCNWWBWLNCNBC-GOEBONIOSA-N 1 0 316.470 3.407 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cl)cc1F ZINC000120220906 195122008 /nfs/dbraw/zinc/12/20/08/195122008.db2.gz UHDVCIGDQUTFLA-LBPRGKRZSA-N 1 0 300.805 3.185 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000120240546 195125371 /nfs/dbraw/zinc/12/53/71/195125371.db2.gz YGRXXDLURMSTGG-ZBFHGGJFSA-N 1 0 319.449 3.324 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)CCn2cccn2)c1 ZINC000158581143 197285715 /nfs/dbraw/zinc/28/57/15/197285715.db2.gz GOVADHQDLQXOEX-KBPBESRZSA-N 1 0 303.406 3.030 10 0 DGAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)CCn2cccn2)c1 ZINC000158581447 197285266 /nfs/dbraw/zinc/28/52/66/197285266.db2.gz GOVADHQDLQXOEX-UONOGXRCSA-N 1 0 303.406 3.030 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccnc2)cc1NC(C)=O ZINC000158544174 197281932 /nfs/dbraw/zinc/28/19/32/197281932.db2.gz MIHNXQKIHNHJSE-CHWSQXEVSA-N 1 0 313.401 3.460 10 0 DGAERO COCc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000158516503 197280253 /nfs/dbraw/zinc/28/02/53/197280253.db2.gz ISVUYUITVOOUBU-QGZVFWFLSA-N 1 0 319.449 3.075 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)cn1 ZINC000158415344 197270109 /nfs/dbraw/zinc/27/01/09/197270109.db2.gz HNWQEINOMUSNRJ-OAHLLOKOSA-N 1 0 303.837 3.496 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)CC/C=C\c2ccccc2)CC[N@@H+]1C ZINC000255477313 285157805 /nfs/dbraw/zinc/15/78/05/285157805.db2.gz ORZALDDEQHNVRV-AQOIUKNXSA-N 1 0 300.446 3.421 10 0 DGAERO CC[C@H]1CN(CCCc2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000157944866 197229017 /nfs/dbraw/zinc/22/90/17/197229017.db2.gz XMHTZDKJMNLRDK-QAPCUYQASA-N 1 0 324.896 3.050 10 0 DGAERO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2ccccc2C)s1 ZINC000157805907 197217079 /nfs/dbraw/zinc/21/70/79/197217079.db2.gz JNRGAGXGMZRYGQ-UHFFFAOYSA-N 1 0 317.458 3.263 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C/C=C\c2cccc(F)c2)C1 ZINC000255580579 285166304 /nfs/dbraw/zinc/16/63/04/285166304.db2.gz RPGHNZGOJRKOHX-XUASMKFJSA-N 1 0 316.420 3.172 10 0 DGAERO O[C@@H]1C[C@H](c2ccc(F)cc2)[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000343376756 254133899 /nfs/dbraw/zinc/13/38/99/254133899.db2.gz UXCWXUNWWLCDDB-SJLPKXTDSA-N 1 0 311.360 3.010 10 0 DGAERO c1cn(Cc2ccccc2)c(C[NH2+][C@H]2CCOC3(CCC3)C2)n1 ZINC000344798117 254306601 /nfs/dbraw/zinc/30/66/01/254306601.db2.gz SYNVIIXVSXDLES-KRWDZBQOSA-N 1 0 311.429 3.123 10 0 DGAERO CS[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000344961584 254319281 /nfs/dbraw/zinc/31/92/81/254319281.db2.gz WBMSFMMGTQWGEY-JSGCOSHPSA-N 1 0 313.850 3.485 10 0 DGAERO CC(C)c1ccc(OCCc2nc(C3([NH3+])CCC3)no2)cc1 ZINC000261819374 285193443 /nfs/dbraw/zinc/19/34/43/285193443.db2.gz IGKSUFQLJFYBKB-UHFFFAOYSA-N 1 0 301.390 3.152 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000156031250 197081631 /nfs/dbraw/zinc/08/16/31/197081631.db2.gz OLPAPZCCPAGLNH-ABAIWWIYSA-N 1 0 312.816 3.281 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000155384819 197049576 /nfs/dbraw/zinc/04/95/76/197049576.db2.gz XJPYWZXWDYAODK-AAEUAGOBSA-N 1 0 314.882 3.179 10 0 DGAERO O=C(c1cccc2ncccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000154870686 197000353 /nfs/dbraw/zinc/00/03/53/197000353.db2.gz FLKDHVBZVQQYMF-UHFFFAOYSA-N 1 0 323.440 3.325 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cccc2C)[C@H](C)C1 ZINC000120407084 195160284 /nfs/dbraw/zinc/16/02/84/195160284.db2.gz HAKQPAOHSHJQKX-HZPDHXFCSA-N 1 0 303.450 3.497 10 0 DGAERO COc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1F ZINC000120557152 195189527 /nfs/dbraw/zinc/18/95/27/195189527.db2.gz IHBSHWNCKCBLPV-XUXIUFHCSA-N 1 0 322.424 3.273 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000120752798 195231667 /nfs/dbraw/zinc/23/16/67/195231667.db2.gz ROINEPZFUWTGKX-NWDGAFQWSA-N 1 0 315.417 3.047 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)NCC1(C2CC2)CCC1)c1ccccc1 ZINC000120789587 195239171 /nfs/dbraw/zinc/23/91/71/195239171.db2.gz IJRPRDPSWQZZJK-QGZVFWFLSA-N 1 0 315.461 3.169 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)c1scnc1C1CC1 ZINC000120842215 195248989 /nfs/dbraw/zinc/24/89/89/195248989.db2.gz SPVRCPVRXNXQPZ-UHFFFAOYSA-N 1 0 309.479 3.215 10 0 DGAERO c1ccc(N2CCC([NH2+]Cc3ccc4ccccc4n3)CC2)nc1 ZINC000325588334 285309009 /nfs/dbraw/zinc/30/90/09/285309009.db2.gz QBXOCQGKJRYWCQ-UHFFFAOYSA-N 1 0 318.424 3.388 10 0 DGAERO O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2cccc(F)c2)C1 ZINC000120936326 195267229 /nfs/dbraw/zinc/26/72/29/195267229.db2.gz OLVLJUFGXKZIEC-RHSMWYFYSA-N 1 0 307.315 3.412 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CCOC2(C)C)c(Br)c1 ZINC000294881024 224282963 /nfs/dbraw/zinc/28/29/63/224282963.db2.gz VOPRTKCEFNXPKX-CYBMUJFWSA-N 1 0 314.223 3.115 10 0 DGAERO Cc1ccc(C[N@H+]2CC[C@@H]3O[C@H](c4nnc(C)o4)CC[C@@H]32)s1 ZINC000248039056 257110570 /nfs/dbraw/zinc/11/05/70/257110570.db2.gz SDXCVQOZWDPFIZ-KKUMJFAQSA-N 1 0 319.430 3.243 10 0 DGAERO Cc1nc(COC[C@@H]2CCC[C@]23C[N@H+](C(C)C)CCO3)cs1 ZINC000248042731 257111254 /nfs/dbraw/zinc/11/12/54/257111254.db2.gz PHIUMIMWAGRANI-RDJZCZTQSA-N 1 0 324.490 3.248 10 0 DGAERO COc1cccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000396184459 257102983 /nfs/dbraw/zinc/10/29/83/257102983.db2.gz RZNACCKHAQMIRP-HDICACEKSA-N 1 0 308.425 3.263 10 0 DGAERO Fc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC000503716874 257209307 /nfs/dbraw/zinc/20/93/07/257209307.db2.gz JBIHUZJBBNYOHO-OALUTQOASA-N 1 0 311.404 3.070 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)CC(C)(C)c2ccccc2)CC[N@@H+]1C ZINC000122980188 195529212 /nfs/dbraw/zinc/52/92/12/195529212.db2.gz XNAWZDVHACTSKC-RDJZCZTQSA-N 1 0 302.462 3.295 10 0 DGAERO CC[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1nccs1 ZINC000124998262 195701159 /nfs/dbraw/zinc/70/11/59/195701159.db2.gz IMQHDTKWXLWREG-JXQTWKCFSA-N 1 0 324.494 3.014 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000271622914 209068866 /nfs/dbraw/zinc/06/88/66/209068866.db2.gz MIGUGKIDYNEILE-UHFFFAOYSA-N 1 0 313.445 3.000 10 0 DGAERO CC[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Cl)s1 ZINC000125782412 195784452 /nfs/dbraw/zinc/78/44/52/195784452.db2.gz WHZZWNZJKNLIKA-RISCZKNCSA-N 1 0 303.855 3.231 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000126250195 195823943 /nfs/dbraw/zinc/82/39/43/195823943.db2.gz CWONLZCOUCEJOI-QXAKKESOSA-N 1 0 319.493 3.087 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000125653890 195773024 /nfs/dbraw/zinc/77/30/24/195773024.db2.gz HNUVHTUCNGWZSW-APWZRJJASA-N 1 0 321.461 3.161 10 0 DGAERO Cc1ccc(CCCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000127995491 195927763 /nfs/dbraw/zinc/92/77/63/195927763.db2.gz MKZTWPBAXIOLML-IBGZPJMESA-N 1 0 314.473 3.262 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@H](C)c1ccccc1Br ZINC000310807198 533280631 /nfs/dbraw/zinc/28/06/31/533280631.db2.gz HXQXCJRIWFQOIN-NEPJUHHUSA-N 1 0 316.239 3.151 10 0 DGAERO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187843578 533281066 /nfs/dbraw/zinc/28/10/66/533281066.db2.gz QTVFMYJSIKXCMX-IRXDYDNUSA-N 1 0 309.425 3.321 10 0 DGAERO COC[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(Cl)cc1 ZINC000194043873 285416476 /nfs/dbraw/zinc/41/64/76/285416476.db2.gz BMGXZAGFJKJRBI-BZSNNMDCSA-N 1 0 317.816 3.275 10 0 DGAERO C[C@@H](CC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)[S@@](C)=O ZINC000158122437 533607640 /nfs/dbraw/zinc/60/76/40/533607640.db2.gz APQCYJZNNAYJDS-LXGOIASLSA-N 1 0 311.344 3.091 10 0 DGAERO COc1ccc(C[NH2+]C[C@H]2C[C@H]2C)c(OCc2cccnc2)c1 ZINC000443965200 533671450 /nfs/dbraw/zinc/67/14/50/533671450.db2.gz MJJZOJIVDBWPGS-RHSMWYFYSA-N 1 0 312.413 3.415 10 0 DGAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000088276810 545807958 /nfs/dbraw/zinc/80/79/58/545807958.db2.gz JLICJKNNCRWOEY-RWMBFGLXSA-N 1 0 308.388 3.235 10 0 DGAERO CC(C)(C)OCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000308757413 292887553 /nfs/dbraw/zinc/88/75/53/292887553.db2.gz WVECEEHWVWPUDR-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO Cc1ccc(C)n2c1nc(-c1ccccc1)c2N1CC[NH2+]CC1 ZINC000095936040 292089273 /nfs/dbraw/zinc/08/92/73/292089273.db2.gz MYXVKNHPAIWWEH-UHFFFAOYSA-N 1 0 306.413 3.028 10 0 DGAERO c1coc(CN2CC[NH+](CCCCOc3ccccc3)CC2)c1 ZINC000357643112 285813972 /nfs/dbraw/zinc/81/39/72/285813972.db2.gz WMIZMSJKZRAOGP-UHFFFAOYSA-N 1 0 314.429 3.256 10 0 DGAERO COC1([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCC2)CCOCC1 ZINC000453082845 292134205 /nfs/dbraw/zinc/13/42/05/292134205.db2.gz HKEIEEAXNBGISN-OAHLLOKOSA-N 1 0 321.436 3.421 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2C3CCCC2CCC3)CC1 ZINC000608712786 400108984 /nfs/dbraw/zinc/10/89/84/400108984.db2.gz KLASQBCINRNEPD-UHFFFAOYSA-N 1 0 307.482 3.225 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cccc3cnccc32)Cc2ccccc21 ZINC000616590018 400178882 /nfs/dbraw/zinc/17/88/82/400178882.db2.gz RLGFNSSPOUUNIY-KRWDZBQOSA-N 1 0 303.409 3.340 10 0 DGAERO CCOC(=O)c1ccccc1[C@@H]1COCCC[N@@H+]1C(C)(C)C ZINC000616597078 400179939 /nfs/dbraw/zinc/17/99/39/400179939.db2.gz MKIGYJCUPWUQEX-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO CCOC(=O)c1ccccc1[C@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616595219 400180270 /nfs/dbraw/zinc/18/02/70/400180270.db2.gz RWVITLSXEWLVRL-CQSZACIVSA-N 1 0 305.418 3.078 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3cncc4ccccc43)C2)cc1 ZINC000616600288 400181935 /nfs/dbraw/zinc/18/19/35/400181935.db2.gz GVIUFISHARGSQS-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CCOC(=O)c1cccc([C@H]2COCCC[N@@H+]2C(C)(C)C)c1 ZINC000616600053 400182134 /nfs/dbraw/zinc/18/21/34/400182134.db2.gz ZIKCWXDYJBEXRE-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3ccc4ccncc4c3)C2)cc1 ZINC000616633081 400189107 /nfs/dbraw/zinc/18/91/07/400189107.db2.gz HNAIZOCCRCTBBG-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCC[N@@H+]2CCO)c1 ZINC000616608314 400182938 /nfs/dbraw/zinc/18/29/38/400182938.db2.gz PNKBPPMGTIWOMP-MRXNPFEDSA-N 1 0 320.433 3.187 10 0 DGAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCCN2CC[NH3+])c1 ZINC000616607036 400183824 /nfs/dbraw/zinc/18/38/24/400183824.db2.gz CLQNLDNASJRMRJ-HNNXBMFYSA-N 1 0 305.422 3.129 10 0 DGAERO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000328656524 400183871 /nfs/dbraw/zinc/18/38/71/400183871.db2.gz ZJUKJUOXIVQJDP-SNPRPXQTSA-N 1 0 310.417 3.019 10 0 DGAERO CC[C@](C)([NH3+])c1ncc(Br)cc1Br ZINC000306164139 400123708 /nfs/dbraw/zinc/12/37/08/400123708.db2.gz KWUVEWCBNZILGK-VIFPVBQESA-N 1 0 308.017 3.191 10 0 DGAERO Nc1cc(Cl)nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000306685450 400125653 /nfs/dbraw/zinc/12/56/53/400125653.db2.gz JADXXYBORDYNSM-AWEZNQCLSA-N 1 0 302.809 3.004 10 0 DGAERO CC1(C)CC([NH2+]Cc2ncc(I)s2)C1 ZINC000306731380 400125751 /nfs/dbraw/zinc/12/57/51/400125751.db2.gz LQMKQCRCTKCSGY-UHFFFAOYSA-N 1 0 322.215 3.026 10 0 DGAERO C[C@@](C[NH3+])([C@H]1CCOC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000306948744 400127029 /nfs/dbraw/zinc/12/70/29/400127029.db2.gz AAPXMHFNBYDJPZ-LEWJYISDSA-N 1 0 324.468 3.443 10 0 DGAERO CCOC[C@](C)(C[NH3+])N(Cc1ccccc1)Cc1ccccc1 ZINC000306847639 400127795 /nfs/dbraw/zinc/12/77/95/400127795.db2.gz KDYRGEFYJFIMAH-FQEVSTJZSA-N 1 0 312.457 3.443 10 0 DGAERO CC(C)(C)OCC[NH2+]Cc1cccc(F)c1Br ZINC000308701017 400130862 /nfs/dbraw/zinc/13/08/62/400130862.db2.gz YHMPANGPRCXHSS-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO CC1(C)CC(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC(C)(C)[NH2+]1 ZINC000067613207 400186970 /nfs/dbraw/zinc/18/69/70/400186970.db2.gz AMYHFDUMOFNFBD-HZPDHXFCSA-N 1 0 315.461 3.151 10 0 DGAERO COC(=O)c1csc([C@@H](C)[NH2+]C[C@H](C)c2ccncc2)c1 ZINC000586790602 400157621 /nfs/dbraw/zinc/15/76/21/400157621.db2.gz MHHZBYYBVRDQKG-NWDGAFQWSA-N 1 0 304.415 3.384 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000588922019 400244273 /nfs/dbraw/zinc/24/42/73/400244273.db2.gz ZJVQQVVKVBXASR-LBPRGKRZSA-N 1 0 319.836 3.426 10 0 DGAERO C[C@@H](CNC(=O)c1c[nH]c2cc(Cl)ccc12)C[NH+]1CCCC1 ZINC000588926092 400246988 /nfs/dbraw/zinc/24/69/88/400246988.db2.gz AOTASSPCVWEADV-LBPRGKRZSA-N 1 0 319.836 3.283 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2cccc3cnccc32)cc1 ZINC000616636742 400189803 /nfs/dbraw/zinc/18/98/03/400189803.db2.gz YBYLBEMUSLQAEX-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCOCC[N@@H+]2C)c1 ZINC000616659438 400195463 /nfs/dbraw/zinc/19/54/63/400195463.db2.gz SBGYEYYFFRPLQQ-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccnc3ccccc32)Cc2ccccc21 ZINC000616672112 400197930 /nfs/dbraw/zinc/19/79/30/400197930.db2.gz IYIMUKRYFSFUPG-MRXNPFEDSA-N 1 0 303.409 3.340 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1ccc2ncccc2c1 ZINC000616678609 400200458 /nfs/dbraw/zinc/20/04/58/400200458.db2.gz KBSLFBJZHNXKLS-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccc2ncccc2c1 ZINC000616681295 400201539 /nfs/dbraw/zinc/20/15/39/400201539.db2.gz WZBZQQUBHFWFJK-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cncc2ccccc21 ZINC000616682233 400201709 /nfs/dbraw/zinc/20/17/09/400201709.db2.gz GYZNIOGZSREDIJ-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccc3ncccc3c2)Nc2ccccc21 ZINC000616693735 400206947 /nfs/dbraw/zinc/20/69/47/400206947.db2.gz XHDZEAWYRIRENC-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO CC(C)c1nsc(Nc2cnn(CC[NH+]3CCCCC3)c2)n1 ZINC000092978296 400218787 /nfs/dbraw/zinc/21/87/87/400218787.db2.gz CUJSLIUBLMVTLY-UHFFFAOYSA-N 1 0 320.466 3.088 10 0 DGAERO Brc1sccc1C[NH2+]CCC1CCOCC1 ZINC000388489270 400267974 /nfs/dbraw/zinc/26/79/74/400267974.db2.gz FRCUVMGDKDZYBQ-UHFFFAOYSA-N 1 0 304.253 3.417 10 0 DGAERO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000398047099 400286643 /nfs/dbraw/zinc/28/66/43/400286643.db2.gz RPQHMDNNWUMEID-FCGDIQPGSA-N 1 0 314.473 3.305 10 0 DGAERO C[C@@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000397994658 400287078 /nfs/dbraw/zinc/28/70/78/400287078.db2.gz RDCHDFATQBWJDS-DMUMMCEESA-N 1 0 312.457 3.203 10 0 DGAERO [NH3+][C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)C12CCC2 ZINC000404530743 400294816 /nfs/dbraw/zinc/29/48/16/400294816.db2.gz WSYVCIHFZVGAID-VXGBXAGGSA-N 1 0 314.216 3.385 10 0 DGAERO C[N@H+](CCNC(=O)CCc1cc(F)ccc1F)C1CCCCC1 ZINC000068898849 400298353 /nfs/dbraw/zinc/29/83/53/400298353.db2.gz VNFJDWOVSOFPKF-UHFFFAOYSA-N 1 0 324.415 3.278 10 0 DGAERO [NH3+]Cc1cc(-c2ccc(Br)s2)nc(C2CC2)n1 ZINC000409437140 400301500 /nfs/dbraw/zinc/30/15/00/400301500.db2.gz CMSRKMANVABVER-UHFFFAOYSA-N 1 0 310.220 3.304 10 0 DGAERO Cc1cc(C[N@@H+](C)CC(C)(C)O)cc(C)c1OCC(F)(F)F ZINC000103168643 400307805 /nfs/dbraw/zinc/30/78/05/400307805.db2.gz GXTCRNWYQBFLOP-UHFFFAOYSA-N 1 0 319.367 3.447 10 0 DGAERO [NH3+]CC[C@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21 ZINC000113550644 400379667 /nfs/dbraw/zinc/37/96/67/400379667.db2.gz LITMVMQZVLEKEX-CQSZACIVSA-N 1 0 315.438 3.288 10 0 DGAERO COCCc1ccc([C@@H]([NH3+])c2cncc(Br)c2)cc1 ZINC000034957920 400388010 /nfs/dbraw/zinc/38/80/10/400388010.db2.gz AIDLKGYXHPGSEY-OAHLLOKOSA-N 1 0 321.218 3.081 10 0 DGAERO O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917456 400395035 /nfs/dbraw/zinc/39/50/35/400395035.db2.gz LFDGSTUSHLJPNP-IUODEOHRSA-N 1 0 307.825 3.336 10 0 DGAERO c1ccc(N2CCC([NH2+]Cc3cnc4ccccc4n3)CC2)cc1 ZINC000589839424 400332426 /nfs/dbraw/zinc/33/24/26/400332426.db2.gz IDUQOYPFXYDPSH-UHFFFAOYSA-N 1 0 318.424 3.388 10 0 DGAERO Cc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1Cl ZINC000590675236 400414112 /nfs/dbraw/zinc/41/41/12/400414112.db2.gz GBJWLCDFSFLORP-UHFFFAOYSA-N 1 0 312.760 3.481 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)Cc1ccccc1)c1ccccc1 ZINC000040615130 400401428 /nfs/dbraw/zinc/40/14/28/400401428.db2.gz XLCXFZAUVZSADJ-LJQANCHMSA-N 1 0 310.441 3.428 10 0 DGAERO Cc1ccc(NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000117725566 400420882 /nfs/dbraw/zinc/42/08/82/400420882.db2.gz HOTOOTIQIYDCAE-QGZVFWFLSA-N 1 0 311.385 3.300 10 0 DGAERO CCc1ccc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000117725188 400421007 /nfs/dbraw/zinc/42/10/07/400421007.db2.gz NSNSDZGBWCBNNK-SFHVURJKSA-N 1 0 310.397 3.162 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)CSC)c1ccccc1Cl ZINC000041949071 400418232 /nfs/dbraw/zinc/41/82/32/400418232.db2.gz BHKQRWHIEYDBNN-AWEZNQCLSA-N 1 0 314.882 3.202 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000119429642 400436545 /nfs/dbraw/zinc/43/65/45/400436545.db2.gz WNCFZUPFQYDHIR-MRXNPFEDSA-N 1 0 321.440 3.090 10 0 DGAERO CCCN(CC[NH+](CC)CC)Cc1nc(C)c2ccccc2n1 ZINC000122620367 400462838 /nfs/dbraw/zinc/46/28/38/400462838.db2.gz DAKSVYBLJAMPHC-UHFFFAOYSA-N 1 0 314.477 3.492 10 0 DGAERO CSCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000126023658 400488771 /nfs/dbraw/zinc/48/87/71/400488771.db2.gz CYAXWUMQBYFKQD-QGZVFWFLSA-N 1 0 320.502 3.158 10 0 DGAERO C[C@H]([NH2+]CCc1csc(N2CCCC2)n1)c1cncc(F)c1 ZINC000129526050 400526277 /nfs/dbraw/zinc/52/62/77/400526277.db2.gz JKUPIBYQGWBYMK-LBPRGKRZSA-N 1 0 320.437 3.171 10 0 DGAERO CC1(C)C[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000591571662 400541584 /nfs/dbraw/zinc/54/15/84/400541584.db2.gz ARQPCENXLOLVAV-MRXNPFEDSA-N 1 0 315.461 3.091 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000075981820 400625502 /nfs/dbraw/zinc/62/55/02/400625502.db2.gz MHCKMYCNAAQXLP-YJBOKZPZSA-N 1 0 315.461 3.126 10 0 DGAERO C[C@H]([NH3+])[C@@H](Cc1ccc(Cl)cc1)n1nnc2ccccc21 ZINC000138230992 400597658 /nfs/dbraw/zinc/59/76/58/400597658.db2.gz MCIJMQJTTHRCQC-MEDUHNTESA-N 1 0 300.793 3.216 10 0 DGAERO CC(C)c1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000139370882 400606245 /nfs/dbraw/zinc/60/62/45/400606245.db2.gz RPPJUCMANPWMFH-RHSMWYFYSA-N 1 0 303.450 3.264 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1cc(Cl)cs1 ZINC000076585191 400663044 /nfs/dbraw/zinc/66/30/44/400663044.db2.gz YYRXVRBWYGCZED-CYBMUJFWSA-N 1 0 316.898 3.427 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC[NH+]2CCCC2)cc1 ZINC000076944124 400680550 /nfs/dbraw/zinc/68/05/50/400680550.db2.gz DKEXUVOBGSLMMF-QZTJIDSGSA-N 1 0 300.446 3.126 10 0 DGAERO Cc1ccc(-c2nnc(CN3CCO[C@H]4CCCC[C@H]43)o2)cc1 ZINC000613450811 400724123 /nfs/dbraw/zinc/72/41/23/400724123.db2.gz JYDHUCFCFIHPKI-CVEARBPZSA-N 1 0 313.401 3.188 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)N[C@@H](CC)c2nccs2)CC1 ZINC000158337632 400724510 /nfs/dbraw/zinc/72/45/10/400724510.db2.gz LTCIGXJXTVRPTK-AWEZNQCLSA-N 1 0 324.494 3.158 10 0 DGAERO c1cc2c(s1)CCC[N@@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC000592985547 400725943 /nfs/dbraw/zinc/72/59/43/400725943.db2.gz WCLGUIUAFUXSQG-UHFFFAOYSA-N 1 0 301.411 3.468 10 0 DGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(Br)c(Br)o1 ZINC000052274985 400726572 /nfs/dbraw/zinc/72/65/72/400726572.db2.gz PYTZKIKQYQPJFO-XRGYYRRGSA-N 1 0 309.001 3.303 10 0 DGAERO CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000618966987 400729502 /nfs/dbraw/zinc/72/95/02/400729502.db2.gz MIGVTPGQEWJNPN-UHFFFAOYSA-N 1 0 319.405 3.271 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000161586923 400741268 /nfs/dbraw/zinc/74/12/68/400741268.db2.gz GOTDARUWVUOKGL-UHFFFAOYSA-N 1 0 313.445 3.083 10 0 DGAERO O[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000051998575 400711759 /nfs/dbraw/zinc/71/17/59/400711759.db2.gz KUHOBOHZCHBNCL-VXGBXAGGSA-N 1 0 305.752 3.335 10 0 DGAERO CC(C)(C)NC(=O)CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000358111062 285973520 /nfs/dbraw/zinc/97/35/20/285973520.db2.gz NTMDVAVFMJUWQJ-NVXWUHKLSA-N 1 0 318.461 3.049 10 0 DGAERO C[NH2+][C@@H](c1csc(I)c1)C1CCC1 ZINC000157312482 400716340 /nfs/dbraw/zinc/71/63/40/400716340.db2.gz FCFWKDVZBRFEID-SNVBAGLBSA-N 1 0 307.200 3.413 10 0 DGAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000078606917 400813724 /nfs/dbraw/zinc/81/37/24/400813724.db2.gz BHNHFXOSFDDADT-KBPBESRZSA-N 1 0 320.433 3.213 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000170835180 400776649 /nfs/dbraw/zinc/77/66/49/400776649.db2.gz LZVBUKKOTXMQLB-WMLDXEAASA-N 1 0 315.461 3.145 10 0 DGAERO CCn1c(C)nnc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000170835597 400776847 /nfs/dbraw/zinc/77/68/47/400776847.db2.gz HCYRWWLRFUDKSM-VWZDBFAISA-N 1 0 302.466 3.301 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000171174139 400788282 /nfs/dbraw/zinc/78/82/82/400788282.db2.gz JHJHBRIURZFLEL-ZDUSSCGKSA-N 1 0 317.433 3.142 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(cnn2C(C)C)c1 ZINC000604993417 400824500 /nfs/dbraw/zinc/82/45/00/400824500.db2.gz FFKHDUILNQSVQV-KRWDZBQOSA-N 1 0 314.433 3.430 10 0 DGAERO COC(=O)CC[C@H]([NH2+][C@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000619426137 400844865 /nfs/dbraw/zinc/84/48/65/400844865.db2.gz QAFAREXLWIKSQX-ULQDDVLXSA-N 1 0 305.418 3.228 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000619511143 400859090 /nfs/dbraw/zinc/85/90/90/400859090.db2.gz NXTDPUJEXSWEJS-INIZCTEOSA-N 1 0 316.376 3.251 10 0 DGAERO O=C(NCCCC1CC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000605980426 400890918 /nfs/dbraw/zinc/89/09/18/400890918.db2.gz QXLVWWDDDHBQHZ-UHFFFAOYSA-N 1 0 307.482 3.084 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)CC/C=C\c2ccccc2)C1 ZINC000606358604 400902303 /nfs/dbraw/zinc/90/23/03/400902303.db2.gz TZXMXISSJWMRHJ-OEPRFQHASA-N 1 0 300.446 3.327 10 0 DGAERO C[NH+](C)CC1CCN(C(=O)CC/C=C\c2ccccc2)CC1 ZINC000606371403 400903649 /nfs/dbraw/zinc/90/36/49/400903649.db2.gz UIKJAAFJIXEJRI-POHAHGRESA-N 1 0 300.446 3.280 10 0 DGAERO C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CCCCCC1 ZINC000079937302 400907467 /nfs/dbraw/zinc/90/74/67/400907467.db2.gz UNGKJEKJFLBJET-CYBMUJFWSA-N 1 0 320.399 3.442 10 0 DGAERO c1cncc([C@@H]([NH2+]CCCO[C@@H]2CCOC2)C2CCCCC2)c1 ZINC000606432913 400910553 /nfs/dbraw/zinc/91/05/53/400910553.db2.gz XOOXQFPTYBHJFH-MOPGFXCFSA-N 1 0 318.461 3.488 10 0 DGAERO C[C@@H](CNC(=O)N(C)Cc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000080049740 400918963 /nfs/dbraw/zinc/91/89/63/400918963.db2.gz KQCCLROBHAMNPU-AWEZNQCLSA-N 1 0 323.868 3.213 10 0 DGAERO Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000056347457 400922056 /nfs/dbraw/zinc/92/20/56/400922056.db2.gz VKOBTKZEQGMQQT-GOSISDBHSA-N 1 0 311.429 3.289 10 0 DGAERO CC(=O)c1ccc(NC(=O)CCN(C)c2cc[nH+]cc2)cc1C ZINC000615008681 400984897 /nfs/dbraw/zinc/98/48/97/400984897.db2.gz MHFVZXBCEUGCHY-UHFFFAOYSA-N 1 0 311.385 3.058 10 0 DGAERO Nc1c(Br)cc(Br)cc1[C@H]1CCC[NH2+]1 ZINC000238631283 400998979 /nfs/dbraw/zinc/99/89/79/400998979.db2.gz CDRIJXAVZCBURL-SECBINFHSA-N 1 0 320.028 3.218 10 0 DGAERO [O-][N+]1=CC(c2ccc(-c3ccccc3)cc2)=[N+](O)[C@@H]2CCCC[C@@H]21 ZINC000225404665 400957098 /nfs/dbraw/zinc/95/70/98/400957098.db2.gz GHHTWYOGPBJXAH-RBUKOAKNSA-N 1 0 322.408 3.342 10 0 DGAERO COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CC[NH2+]C3)cc21 ZINC000226061903 400960671 /nfs/dbraw/zinc/96/06/71/400960671.db2.gz RGVDQTXHXAFWIN-LLVKDONJSA-N 1 0 311.360 3.455 10 0 DGAERO C[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000057039408 400967710 /nfs/dbraw/zinc/96/77/10/400967710.db2.gz GVFVRJGACCZWQS-HNNXBMFYSA-N 1 0 321.440 3.089 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4sccc4s3)C[C@@H]21 ZINC000230069873 400967879 /nfs/dbraw/zinc/96/78/79/400967879.db2.gz GPICWAIDOQCOPX-GARJFASQSA-N 1 0 306.456 3.162 10 0 DGAERO CC(=O)c1ccccc1OCCN1CCCc2cccc(C[NH3+])c21 ZINC000629559784 400975589 /nfs/dbraw/zinc/97/55/89/400975589.db2.gz NCXGZRTVJVTGFS-UHFFFAOYSA-N 1 0 324.424 3.180 10 0 DGAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(Br)c(Br)c1 ZINC000236210389 400978369 /nfs/dbraw/zinc/97/83/69/400978369.db2.gz DBVJHZLYECSIEG-HTQZYQBOSA-N 1 0 305.013 3.274 10 0 DGAERO C[NH2+]CCOCCN(C)[C@H](C)c1cc(Cl)ccc1Cl ZINC000629570756 400979791 /nfs/dbraw/zinc/97/97/91/400979791.db2.gz CKYILUOBNHUORR-LLVKDONJSA-N 1 0 305.249 3.222 10 0 DGAERO c1ccc(SC[C@@H]2CC[N@@H+](CCOC3CCOCC3)C2)cc1 ZINC000625192775 401055810 /nfs/dbraw/zinc/05/58/10/401055810.db2.gz LLYVIAJVGNIKNW-MRXNPFEDSA-N 1 0 321.486 3.296 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000247484679 401056634 /nfs/dbraw/zinc/05/66/34/401056634.db2.gz TVJMIBORTKWYRY-NXHRZFHOSA-N 1 0 306.494 3.439 10 0 DGAERO COCCC[N@H+](C)Cc1ccc(Br)c(F)c1F ZINC000625106741 401030192 /nfs/dbraw/zinc/03/01/92/401030192.db2.gz OIMNEESOIPQWJR-UHFFFAOYSA-N 1 0 308.166 3.196 10 0 DGAERO CN(C)[C@@H](C[NH2+]Cc1nc2ccccc2o1)c1cccc(F)c1 ZINC000607191875 401034901 /nfs/dbraw/zinc/03/49/01/401034901.db2.gz IFJDZVAHJRMONV-INIZCTEOSA-N 1 0 313.376 3.359 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2ccc(Cl)cc2)C[C@H]1C ZINC000246820544 401038202 /nfs/dbraw/zinc/03/82/02/401038202.db2.gz BDMOVEJEWQKFTM-MRXNPFEDSA-N 1 0 324.896 3.315 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)C(C)(C)C ZINC000247136663 401045906 /nfs/dbraw/zinc/04/59/06/401045906.db2.gz AWSCVHVQGCALSK-UONOGXRCSA-N 1 0 324.490 3.312 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000247166170 401047017 /nfs/dbraw/zinc/04/70/17/401047017.db2.gz ZTQPKHFIRBBSOU-MNEFBYGVSA-N 1 0 314.473 3.372 10 0 DGAERO CC1(C)C[C@@H]([NH2+]Cc2ccncc2Br)C(C)(C)O1 ZINC000625332058 401101933 /nfs/dbraw/zinc/10/19/33/401101933.db2.gz SNIKYEXSIMVVHD-GFCCVEGCSA-N 1 0 313.239 3.280 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](CCOCC2CC2)CC1 ZINC000607731896 401111598 /nfs/dbraw/zinc/11/15/98/401111598.db2.gz HBMXTTZMPWRBQQ-UHFFFAOYSA-N 1 0 314.473 3.188 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000262460832 401118159 /nfs/dbraw/zinc/11/81/59/401118159.db2.gz JTRZTKMORDLBHV-SPUZQDLCSA-N 1 0 300.446 3.135 10 0 DGAERO CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262653309 401118760 /nfs/dbraw/zinc/11/87/60/401118760.db2.gz VYXLESQKQGNWRH-BPUTZDHNSA-N 1 0 304.434 3.026 10 0 DGAERO CCOc1cccc2cc([C@H](C)NC(=O)[C@@H]3CC[C@H]([NH3+])C3)oc21 ZINC000262634742 401119347 /nfs/dbraw/zinc/11/93/47/401119347.db2.gz VXGYFZCHGULQGO-YUTCNCBUSA-N 1 0 316.401 3.136 10 0 DGAERO CC(C)N(C)c1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000262671069 401120562 /nfs/dbraw/zinc/12/05/62/401120562.db2.gz OAQGOQFTTDCGPA-JLSDUUJJSA-N 1 0 315.461 3.390 10 0 DGAERO C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccco1 ZINC000607643222 401099051 /nfs/dbraw/zinc/09/90/51/401099051.db2.gz UUWRKIOFSRLISX-SJORKVTESA-N 1 0 318.461 3.498 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000607924420 401151256 /nfs/dbraw/zinc/15/12/56/401151256.db2.gz FKVCWZXZUXNWLR-SFHVURJKSA-N 1 0 314.473 3.345 10 0 DGAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358301909 286025517 /nfs/dbraw/zinc/02/55/17/286025517.db2.gz PPRWXQUMEIRTTQ-VYDXJSESSA-N 1 0 323.431 3.460 10 0 DGAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358301906 286025208 /nfs/dbraw/zinc/02/52/08/286025208.db2.gz PPRWXQUMEIRTTQ-BFYDXBDKSA-N 1 0 323.431 3.460 10 0 DGAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)NC1CCCC1 ZINC000062649437 401176794 /nfs/dbraw/zinc/17/67/94/401176794.db2.gz IEMWDRVNWCTICP-SFHVURJKSA-N 1 0 315.461 3.283 10 0 DGAERO FC1(F)C[C@@H]1CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000621379058 401192721 /nfs/dbraw/zinc/19/27/21/401192721.db2.gz LDBBHMVTLVBUMM-JTQLQIEISA-N 1 0 303.736 3.246 10 0 DGAERO COc1cc(C[NH2+]CC[C@@H]2CC2(F)F)cc(Cl)c1OC ZINC000621379025 401192933 /nfs/dbraw/zinc/19/29/33/401192933.db2.gz KDXUHWDASVDMEZ-SNVBAGLBSA-N 1 0 305.752 3.492 10 0 DGAERO Cc1ncsc1C[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000608075300 401180645 /nfs/dbraw/zinc/18/06/45/401180645.db2.gz VBSIBPDVNUAWIB-OAHLLOKOSA-N 1 0 312.442 3.259 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2ncccc21 ZINC000065674808 401274407 /nfs/dbraw/zinc/27/44/07/401274407.db2.gz FIAYYWOHZWDBOM-GJZGRUSLSA-N 1 0 311.429 3.085 10 0 DGAERO Cc1ccnc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000089651998 401234483 /nfs/dbraw/zinc/23/44/83/401234483.db2.gz WVCKCFLLWRZKHM-HUUCEWRRSA-N 1 0 302.809 3.296 10 0 DGAERO c1cc(C[N@@H+]2CCCC3(CC3)CC2)ccc1CN1CCOCC1 ZINC000626115290 401304724 /nfs/dbraw/zinc/30/47/24/401304724.db2.gz NRHKLESSGPZSOR-UHFFFAOYSA-N 1 0 314.473 3.285 10 0 DGAERO CC(=O)c1ccccc1OCCN1CC[C@H](C[NH3+])c2ccccc21 ZINC000634689758 401335731 /nfs/dbraw/zinc/33/57/31/401335731.db2.gz WDMDUAFQEBGQDG-MRXNPFEDSA-N 1 0 324.424 3.221 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000066162153 401295075 /nfs/dbraw/zinc/29/50/75/401295075.db2.gz CJBQRWVWFRSJJD-RHSMWYFYSA-N 1 0 317.433 3.096 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c2ccccc21 ZINC000621764807 401297824 /nfs/dbraw/zinc/29/78/24/401297824.db2.gz MORDSGKOAJONRC-HLLBOEOZSA-N 1 0 316.445 3.420 10 0 DGAERO CC(=O)N1CC[C@H](NCCC[N@@H+](C)CC(C)C)c2ccccc21 ZINC000621765278 401297893 /nfs/dbraw/zinc/29/78/93/401297893.db2.gz VRFYHGJOBPDGAO-SFHVURJKSA-N 1 0 317.477 3.052 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)n(CC2CCC2)n1 ZINC000631172015 401414792 /nfs/dbraw/zinc/41/47/92/401414792.db2.gz VCLYVUKXMFZTRZ-QGZVFWFLSA-N 1 0 303.450 3.265 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(Cl)s1 ZINC000634951067 401386861 /nfs/dbraw/zinc/38/68/61/401386861.db2.gz LWGJNNCVDFKBOG-UWVGGRQHSA-N 1 0 307.868 3.019 10 0 DGAERO CC1(C)CC([NH2+][C@@H]2CCCS(=O)(=O)CC2)CC(C)(C)C1 ZINC000634974620 401392742 /nfs/dbraw/zinc/39/27/42/401392742.db2.gz GZQIKYJQTROSQP-CYBMUJFWSA-N 1 0 301.496 3.148 10 0 DGAERO c1cc(C[NH2+]CCc2cc3ccccc3[nH]2)n(CC2CCC2)n1 ZINC000631098000 401393101 /nfs/dbraw/zinc/39/31/01/401393101.db2.gz JSAJHSBXFWCMJU-UHFFFAOYSA-N 1 0 308.429 3.497 10 0 DGAERO C[C@H](O)C(C)(C)[NH2+]Cc1cccc(Br)c1Cl ZINC000631100868 401393664 /nfs/dbraw/zinc/39/36/64/401393664.db2.gz DVDYBCIYWVAQRE-QMMMGPOBSA-N 1 0 306.631 3.352 10 0 DGAERO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000634985741 401395935 /nfs/dbraw/zinc/39/59/35/401395935.db2.gz BQPFUOWJZXJYGX-CYBMUJFWSA-N 1 0 322.257 3.050 10 0 DGAERO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000634986511 401395953 /nfs/dbraw/zinc/39/59/53/401395953.db2.gz XHWNCGZACDPWLB-LLVKDONJSA-N 1 0 322.257 3.050 10 0 DGAERO c1ccc(COCc2cccc(CNCC34CC(C3)C[NH2+]4)c2)cc1 ZINC000634995902 401397399 /nfs/dbraw/zinc/39/73/99/401397399.db2.gz SGBGMEXSUWUNKB-UHFFFAOYSA-N 1 0 322.452 3.245 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[C@@H](O)C(F)F ZINC000631217012 401428939 /nfs/dbraw/zinc/42/89/39/401428939.db2.gz TVQFPZCGKDFWHB-VPUINMBXSA-N 1 0 321.314 3.297 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1cncs1 ZINC000631222797 401430177 /nfs/dbraw/zinc/43/01/77/401430177.db2.gz UPYHWEDIXQTYET-RDBSUJKOSA-N 1 0 321.243 3.334 10 0 DGAERO c1ccc2c(c1)C=C(C[NH2+]Cc1cccc3c1CCOC3)CO2 ZINC000631243531 401435501 /nfs/dbraw/zinc/43/55/01/401435501.db2.gz ASUJOUAZCSRNAI-UHFFFAOYSA-N 1 0 307.393 3.325 10 0 DGAERO c1cc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)n(CC2CC2)n1 ZINC000631244484 401436163 /nfs/dbraw/zinc/43/61/63/401436163.db2.gz CFSQGNOWRZQIEQ-QGZVFWFLSA-N 1 0 303.450 3.122 10 0 DGAERO c1cn(-c2ccccc2)c(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)n1 ZINC000631255001 401439268 /nfs/dbraw/zinc/43/92/68/401439268.db2.gz OODHLFJUYUJBSC-IEBWSBKVSA-N 1 0 311.429 3.310 10 0 DGAERO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000631300577 401448240 /nfs/dbraw/zinc/44/82/40/401448240.db2.gz HLTMONIOESLGPB-CYBMUJFWSA-N 1 0 311.414 3.026 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC[C@H](O)C(F)F ZINC000631696809 401538515 /nfs/dbraw/zinc/53/85/15/401538515.db2.gz IBWHLESPWQCYEQ-SCZZXKLOSA-N 1 0 306.422 3.416 10 0 DGAERO c1cnc2c(c1)[C@H]([NH2+][C@H]1CCOC3(CCSCC3)C1)CCC2 ZINC000631602106 401511366 /nfs/dbraw/zinc/51/13/66/401511366.db2.gz XGVXZRMZFNLVPX-WMLDXEAASA-N 1 0 318.486 3.493 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1sccc1Br ZINC000631697760 401538931 /nfs/dbraw/zinc/53/89/31/401538931.db2.gz PMOMLOCFILVXJE-HTRCEHHLSA-N 1 0 314.195 3.177 10 0 DGAERO O[C@@H](CC[NH2+][C@@H]1CCc2cc(Br)ccc21)C(F)F ZINC000631698273 401539045 /nfs/dbraw/zinc/53/90/45/401539045.db2.gz UPVUDQIJYNVLHN-NEPJUHHUSA-N 1 0 320.177 3.042 10 0 DGAERO Clc1cnccc1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000623466923 401524721 /nfs/dbraw/zinc/52/47/21/401524721.db2.gz QPPKMOIJSYCUGR-CYBMUJFWSA-N 1 0 312.866 3.269 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000631701555 401539620 /nfs/dbraw/zinc/53/96/20/401539620.db2.gz JGMPAOVSXIMGPZ-UKMLZYKCSA-N 1 0 322.246 3.246 10 0 DGAERO COC[C@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)OC ZINC000358437184 286062693 /nfs/dbraw/zinc/06/26/93/286062693.db2.gz FDAUHNRQELUNNF-GJZGRUSLSA-N 1 0 317.351 3.408 10 0 DGAERO Brc1cc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)cs1 ZINC000631887250 401563635 /nfs/dbraw/zinc/56/36/35/401563635.db2.gz MQFDOUUVQOJIEN-NEPJUHHUSA-N 1 0 315.280 3.085 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccsc1Br ZINC000623724545 401572190 /nfs/dbraw/zinc/57/21/90/401572190.db2.gz JITPIDJZHAHQOA-LOKLDPHHSA-N 1 0 304.253 3.412 10 0 DGAERO Cc1nc(C)c(C[NH2+]CCc2cccc(Br)c2)o1 ZINC000628308119 401573374 /nfs/dbraw/zinc/57/33/74/401573374.db2.gz XECUDXYHUAMDRW-UHFFFAOYSA-N 1 0 309.207 3.386 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000623753258 401575986 /nfs/dbraw/zinc/57/59/86/401575986.db2.gz UZYOJFUMXZVNNM-AZUAARDMSA-N 1 0 324.424 3.318 10 0 DGAERO c1ccc(COc2ccccc2C[NH2+][C@@H]2CO[C@H](C3CC3)C2)nc1 ZINC000623753323 401576298 /nfs/dbraw/zinc/57/62/98/401576298.db2.gz WPUBDNWAJCFVEW-ICSRJNTNSA-N 1 0 324.424 3.318 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(Br)c1 ZINC000623754917 401576702 /nfs/dbraw/zinc/57/67/02/401576702.db2.gz VKLQJFDPGQTIAL-ZFWWWQNUSA-N 1 0 310.235 3.415 10 0 DGAERO c1ccc(O[C@H]2C[C@H]([NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000628339188 401578429 /nfs/dbraw/zinc/57/84/29/401578429.db2.gz HPNBOWHRWBPGLG-CZIWCDLHSA-N 1 0 305.381 3.329 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000623822267 401583476 /nfs/dbraw/zinc/58/34/76/401583476.db2.gz AOFAYBXSNGGPTK-WVSHTKLVSA-N 1 0 305.752 3.456 10 0 DGAERO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Br)cs1 ZINC000631703584 401540970 /nfs/dbraw/zinc/54/09/70/401540970.db2.gz UBPANFZUNFVRHM-SVRRBLITSA-N 1 0 314.195 3.177 10 0 DGAERO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c2c(c1)COCC2 ZINC000631729837 401545670 /nfs/dbraw/zinc/54/56/70/401545670.db2.gz SJDVEZIAXLIRMP-OTWHNJEPSA-N 1 0 313.441 3.197 10 0 DGAERO COCC1(C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000623561345 401547293 /nfs/dbraw/zinc/54/72/93/401547293.db2.gz JYITTZZNYFENKJ-UHFFFAOYSA-N 1 0 320.177 3.244 10 0 DGAERO c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000623589554 401551618 /nfs/dbraw/zinc/55/16/18/401551618.db2.gz ORNDYHKHKNSAKT-VXIBKDFQSA-N 1 0 301.430 3.380 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+]Cc1cccc3cnccc31)C2 ZINC000623602229 401554231 /nfs/dbraw/zinc/55/42/31/401554231.db2.gz HQMQWKOXJMOOOK-IBGZPJMESA-N 1 0 304.393 3.466 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+]Cc1ccnc3ccccc13)C2 ZINC000623602066 401554241 /nfs/dbraw/zinc/55/42/41/401554241.db2.gz BFIAEKLABLFVNH-SFHVURJKSA-N 1 0 304.393 3.466 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000632931406 401639047 /nfs/dbraw/zinc/63/90/47/401639047.db2.gz JPYTUYUCMRHLCQ-HAQNSBGRSA-N 1 0 323.824 3.182 10 0 DGAERO c1c2ccccc2[nH]c1CN1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000628474301 401603658 /nfs/dbraw/zinc/60/36/58/401603658.db2.gz SQFDYQITMHUGIK-OAHLLOKOSA-N 1 0 315.486 3.039 10 0 DGAERO c1nc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000624005752 401611879 /nfs/dbraw/zinc/61/18/79/401611879.db2.gz BDMJZVWKMQVNRL-QLFBSQMISA-N 1 0 315.442 3.425 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+]C1CCC3(CCOCC3)CC1)C2 ZINC000624054763 401619552 /nfs/dbraw/zinc/61/95/52/401619552.db2.gz MXQZWWIFFFUTIB-IBGZPJMESA-N 1 0 315.457 3.457 10 0 DGAERO CC(C)(C)c1csc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000094969957 545861169 /nfs/dbraw/zinc/86/11/69/545861169.db2.gz WZOAHQILMXEQCO-KBPBESRZSA-N 1 0 307.507 3.405 10 0 DGAERO Cc1scc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000358570555 286096132 /nfs/dbraw/zinc/09/61/32/286096132.db2.gz JISNJOKOLULHFM-XQQFMLRXSA-N 1 0 308.491 3.461 10 0 DGAERO Cc1scc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1C ZINC000358553260 286091142 /nfs/dbraw/zinc/09/11/42/286091142.db2.gz NEBCBDKMZHAUNZ-MRXNPFEDSA-N 1 0 316.470 3.268 10 0 DGAERO C[N@@H+]1CCCC[C@H](CNc2ncc(Br)cc2F)C1 ZINC000624537110 401669288 /nfs/dbraw/zinc/66/92/88/401669288.db2.gz SGBSIEPMQNIRQS-SNVBAGLBSA-N 1 0 316.218 3.127 10 0 DGAERO C[C@H](Cc1nnc(SC[C@H](C)[NH+](C)C)o1)c1ccccc1 ZINC000358861147 286171653 /nfs/dbraw/zinc/17/16/53/286171653.db2.gz MOSIKXYGHDRYNN-OLZOCXBDSA-N 1 0 305.447 3.458 10 0 DGAERO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359205160 286260712 /nfs/dbraw/zinc/26/07/12/286260712.db2.gz FDLKXSKMBHQLKM-QGTPRVQTSA-N 1 0 317.408 3.053 10 0 DGAERO CCC[N@H+](C)CC(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000359240901 286267461 /nfs/dbraw/zinc/26/74/61/286267461.db2.gz IJKMVKAIVZZEIM-UHFFFAOYSA-N 1 0 313.445 3.216 10 0 DGAERO COc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c(OC)c1 ZINC000092785494 286304297 /nfs/dbraw/zinc/30/42/97/286304297.db2.gz HOIWREPPILGACW-QGZVFWFLSA-N 1 0 318.461 3.154 10 0 DGAERO CC(C)[C@H](C(=O)Nc1cccc(CCCO)c1)[NH+]1CCCCC1 ZINC000359605597 286345543 /nfs/dbraw/zinc/34/55/43/286345543.db2.gz PXJYBEJXXVKMIP-GOSISDBHSA-N 1 0 318.461 3.061 10 0 DGAERO CC[NH+](CC)CCSCC(=O)N(Cc1ccccc1)C(C)C ZINC000359721007 286367565 /nfs/dbraw/zinc/36/75/65/286367565.db2.gz IKOZHWAUEJWLHW-UHFFFAOYSA-N 1 0 322.518 3.499 10 0 DGAERO C[C@@H]1C[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC(C)(C)C1 ZINC000183933657 288451954 /nfs/dbraw/zinc/45/19/54/288451954.db2.gz WMXPAOCNAALXMH-BRWVUGGUSA-N 1 0 306.494 3.393 10 0 DGAERO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360008802 286407270 /nfs/dbraw/zinc/40/72/70/286407270.db2.gz ZFBKWDMNIUJQBQ-HZPDHXFCSA-N 1 0 305.466 3.223 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)CCCO2 ZINC000187854142 286428417 /nfs/dbraw/zinc/42/84/17/286428417.db2.gz ZOWSEHQHNZWLBI-GOEBONIOSA-N 1 0 305.418 3.456 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)Nc2cc(C)cc(C)n2)CC1 ZINC000360877219 286546537 /nfs/dbraw/zinc/54/65/37/286546537.db2.gz DZKLRUMCIWXQDY-UHFFFAOYSA-N 1 0 318.465 3.284 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C3CC3)CC1)CCCO2 ZINC000119688665 292351847 /nfs/dbraw/zinc/35/18/47/292351847.db2.gz YPFFTYNTNLWSFK-SFHVURJKSA-N 1 0 300.446 3.425 10 0 DGAERO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC000361209686 286624194 /nfs/dbraw/zinc/62/41/94/286624194.db2.gz UOWZKXZDVCEEEQ-NHYWBVRUSA-N 1 0 317.260 3.365 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCCCC(=O)C2)CC1 ZINC000362661848 286846589 /nfs/dbraw/zinc/84/65/89/286846589.db2.gz GNIBLMMFFNZOQX-QGZVFWFLSA-N 1 0 322.493 3.106 10 0 DGAERO CC(C)N(Cc1ccc(F)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000362709181 286852436 /nfs/dbraw/zinc/85/24/36/286852436.db2.gz BBZJTJPUSSQEAO-UHFFFAOYSA-N 1 0 306.425 3.295 10 0 DGAERO CCCc1noc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000362941401 286878981 /nfs/dbraw/zinc/87/89/81/286878981.db2.gz JXTWPDSOEMNDMJ-MRXNPFEDSA-N 1 0 320.481 3.110 10 0 DGAERO c1ccc2nc(C[N@@H+]3CCOC4(CCOCC4)CC3)ccc2c1 ZINC000364262298 287005031 /nfs/dbraw/zinc/00/50/31/287005031.db2.gz NXEMAPQIASMZRR-UHFFFAOYSA-N 1 0 312.413 3.006 10 0 DGAERO Brc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCSC1 ZINC000364265426 287005267 /nfs/dbraw/zinc/00/52/67/287005267.db2.gz HALDDTKVRMAGSV-SKDRFNHKSA-N 1 0 314.248 3.368 10 0 DGAERO Cc1ccnc(C2CC[NH+](CCCC3CCOCC3)CC2)n1 ZINC000364229122 287000944 /nfs/dbraw/zinc/00/09/44/287000944.db2.gz WIUUEKKNTYMVDB-UHFFFAOYSA-N 1 0 303.450 3.171 10 0 DGAERO CC(C)CCSCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000056983047 164556243 /nfs/dbraw/zinc/55/62/43/164556243.db2.gz IJZXGINPYUIHFW-UHFFFAOYSA-N 1 0 312.523 3.100 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000069135755 287067874 /nfs/dbraw/zinc/06/78/74/287067874.db2.gz WAGXPYOOXYFSDB-CJNGLKHVSA-N 1 0 309.475 3.212 10 0 DGAERO Cc1cccc(-c2noc(CN3CCC([NH2+]C(C)C)CC3)n2)c1 ZINC000171692762 164637092 /nfs/dbraw/zinc/63/70/92/164637092.db2.gz RHCUONTVRIKEPQ-UHFFFAOYSA-N 1 0 314.433 3.007 10 0 DGAERO CCC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000172238974 164655512 /nfs/dbraw/zinc/65/55/12/164655512.db2.gz GLABCSKGUQHGSI-JQHSSLGASA-N 1 0 315.461 3.406 10 0 DGAERO O[C@H](C[NH+]1CCC(c2cccc(F)c2F)CC1)CC(F)(F)F ZINC000364952046 287079128 /nfs/dbraw/zinc/07/91/28/287079128.db2.gz APOPPIZBCBYTSB-NSHDSACASA-N 1 0 323.305 3.458 10 0 DGAERO c1ccc2c(c1)[nH+]ccc2N1CCC(Oc2cnccn2)CC1 ZINC000364968473 287080792 /nfs/dbraw/zinc/08/07/92/287080792.db2.gz FUECMOHAQDXWRS-UHFFFAOYSA-N 1 0 306.369 3.073 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1cccc(CO)c1 ZINC000180014970 164872077 /nfs/dbraw/zinc/87/20/77/164872077.db2.gz OYYCPXDDWSXILD-QAPCUYQASA-N 1 0 310.441 3.453 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)CC2 ZINC000180169723 164876340 /nfs/dbraw/zinc/87/63/40/164876340.db2.gz ZZESLTGSVYLTDV-AEFFLSMTSA-N 1 0 310.445 3.457 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1c3ccccc3NC1=O)CC2 ZINC000180382253 164882111 /nfs/dbraw/zinc/88/21/11/164882111.db2.gz BPVAHRXEHREZAO-FUHWJXTLSA-N 1 0 322.408 3.398 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1ccc(CC)cc1)CC2 ZINC000180619737 164889731 /nfs/dbraw/zinc/88/97/31/164889731.db2.gz UGGLVMULCAPNBT-IRXDYDNUSA-N 1 0 312.461 3.459 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccc(C)cc1)C1CC1)CC2 ZINC000180633197 164890551 /nfs/dbraw/zinc/89/05/51/164890551.db2.gz QRIUOSRLDFXICU-ROUUACIJSA-N 1 0 324.472 3.075 10 0 DGAERO COc1ccc(-c2cnc(C[N@H+](C)[C@H](CO)CC(C)C)o2)cc1 ZINC000185331529 165000962 /nfs/dbraw/zinc/00/09/62/165000962.db2.gz FBOQWCFDOLWKKX-HNNXBMFYSA-N 1 0 318.417 3.189 10 0 DGAERO CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@H](CO)CC(C)C ZINC000185372533 165003137 /nfs/dbraw/zinc/00/31/37/165003137.db2.gz TXOGKHLBIRPKCR-AWEZNQCLSA-N 1 0 307.413 3.034 10 0 DGAERO CCSc1cccc(C[NH2+][C@H]2CCc3nc(CC)nn3C2)c1 ZINC000185523190 165007095 /nfs/dbraw/zinc/00/70/95/165007095.db2.gz ILHFIHPKCNXNGH-AWEZNQCLSA-N 1 0 316.474 3.057 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)[C@H]1COc2ccccc21 ZINC000185589470 165008996 /nfs/dbraw/zinc/00/89/96/165008996.db2.gz APVCVEXLDUFXQF-CXMBCZLWSA-N 1 0 319.351 3.153 10 0 DGAERO COc1ccc(OCC[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000185640407 165011052 /nfs/dbraw/zinc/01/10/52/165011052.db2.gz DGGSGYRSFFOBLB-KSSFIOAISA-N 1 0 313.397 3.228 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ncc(C(C)C)s2)C12CCOCC2 ZINC000185657131 165012366 /nfs/dbraw/zinc/01/23/66/165012366.db2.gz FXNAEBIWMONRHM-CABCVRRESA-N 1 0 324.490 3.330 10 0 DGAERO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000185824886 165017505 /nfs/dbraw/zinc/01/75/05/165017505.db2.gz NDXONHSAJLBCFL-RCAFFNEUSA-N 1 0 300.377 3.304 10 0 DGAERO CC[NH+](CC)CCCCNc1ncnc2cc(F)c(OC)cc21 ZINC000185952516 165023166 /nfs/dbraw/zinc/02/31/66/165023166.db2.gz DVDAYUBFLOXXGK-UHFFFAOYSA-N 1 0 320.412 3.311 10 0 DGAERO CCC[C@H]([NH2+][C@@H]1C[C@H](OCC)C12CCOCC2)c1ccccn1 ZINC000186317167 165037193 /nfs/dbraw/zinc/03/71/93/165037193.db2.gz HWVSONJHRZVSJF-KSZLIROESA-N 1 0 318.461 3.487 10 0 DGAERO COc1ccc(C[C@@H](C)C[N@@H+]2CCCN(C3CC3)CC2)cc1F ZINC000186318915 165037721 /nfs/dbraw/zinc/03/77/21/165037721.db2.gz PHULYDZZQROEAH-OAHLLOKOSA-N 1 0 320.452 3.183 10 0 DGAERO COCc1ccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)o1 ZINC000186801565 165061190 /nfs/dbraw/zinc/06/11/90/165061190.db2.gz KVXMVEGILVOHND-UHFFFAOYSA-N 1 0 322.449 3.201 10 0 DGAERO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(C)n1 ZINC000186901387 165065330 /nfs/dbraw/zinc/06/53/30/165065330.db2.gz RVELXHHHORROHR-OAHLLOKOSA-N 1 0 317.477 3.071 10 0 DGAERO CCCc1cccc(C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000187266045 165082602 /nfs/dbraw/zinc/08/26/02/165082602.db2.gz JCPRKIHTYDLRAT-SFHVURJKSA-N 1 0 312.461 3.131 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCSCC1)c1cn(-c2ccccc2)nn1 ZINC000187370178 165088525 /nfs/dbraw/zinc/08/85/25/165088525.db2.gz NXXPPPXPQSPGHP-KBPBESRZSA-N 1 0 316.474 3.450 10 0 DGAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c(C)n1 ZINC000187445529 165091911 /nfs/dbraw/zinc/09/19/11/165091911.db2.gz BIZFMSZUCBPXTO-CQSZACIVSA-N 1 0 307.401 3.130 10 0 DGAERO Fc1ccc(-c2ccc(CN3CCO[C@]4(CCOC4)C3)o2)cc1 ZINC000187544207 165093689 /nfs/dbraw/zinc/09/36/89/165093689.db2.gz SQSSGQURFINUDW-GOSISDBHSA-N 1 0 317.360 3.077 10 0 DGAERO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000188089443 165112225 /nfs/dbraw/zinc/11/22/25/165112225.db2.gz AASILAOGDQNTDN-OLZOCXBDSA-N 1 0 302.397 3.035 10 0 DGAERO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000188089500 165112949 /nfs/dbraw/zinc/11/29/49/165112949.db2.gz AASILAOGDQNTDN-CHWSQXEVSA-N 1 0 302.397 3.035 10 0 DGAERO Cc1c(C(=O)N2CC[NH+]3CCC2CC3)oc2c1c(C)ccc2C ZINC000188633121 165130826 /nfs/dbraw/zinc/13/08/26/165130826.db2.gz HFRUWRDYUVYDPT-UHFFFAOYSA-N 1 0 312.413 3.278 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000188830300 165139753 /nfs/dbraw/zinc/13/97/53/165139753.db2.gz LJUVJBNFEYEANS-AWEZNQCLSA-N 1 0 323.481 3.278 10 0 DGAERO CC(C)[C@H](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188957609 165142754 /nfs/dbraw/zinc/14/27/54/165142754.db2.gz ZGSAYKDDKNBYSA-SUYBPPKGSA-N 1 0 324.415 3.209 10 0 DGAERO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(F)nc1)c1ccccc1 ZINC000189443450 165161646 /nfs/dbraw/zinc/16/16/46/165161646.db2.gz HKPUVAWMYUTFKQ-SJORKVTESA-N 1 0 300.377 3.309 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000189562001 165166798 /nfs/dbraw/zinc/16/67/98/165166798.db2.gz UYEBEVWMBCJADS-WBVHZDCISA-N 1 0 316.445 3.344 10 0 DGAERO Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000189588738 165167609 /nfs/dbraw/zinc/16/76/09/165167609.db2.gz WXCMKYSSAURMAR-GOSISDBHSA-N 1 0 324.424 3.310 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)O1 ZINC000189733426 165174231 /nfs/dbraw/zinc/17/42/31/165174231.db2.gz OBJBTJZZIMPSTC-OAHLLOKOSA-N 1 0 303.381 3.263 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1csc(C)n1 ZINC000189783303 165176669 /nfs/dbraw/zinc/17/66/69/165176669.db2.gz XUIKUNGRXRXSAK-GDBMZVCRSA-N 1 0 321.490 3.380 10 0 DGAERO CCOC[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)C(C)C ZINC000189818207 165178736 /nfs/dbraw/zinc/17/87/36/165178736.db2.gz KFHWTGPJKMAVFX-DZGCQCFKSA-N 1 0 303.406 3.448 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccccc1-n1cccn1 ZINC000191053461 165227019 /nfs/dbraw/zinc/22/70/19/165227019.db2.gz KFJIGXSSFIYZFI-DOTOQJQBSA-N 1 0 313.445 3.464 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1csc(Cl)c1 ZINC000191175795 165232725 /nfs/dbraw/zinc/23/27/25/165232725.db2.gz NLVBAQKZOFRPKS-JTQLQIEISA-N 1 0 319.821 3.228 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000191173155 165233582 /nfs/dbraw/zinc/23/35/82/165233582.db2.gz LKNPTEJOYILVRI-GOSISDBHSA-N 1 0 307.482 3.203 10 0 DGAERO C[N@@H+](Cc1ccc(Br)o1)C[C@H](O)CC1CCCC1 ZINC000191300086 165241736 /nfs/dbraw/zinc/24/17/36/165241736.db2.gz KWRCGFDRPUHUCX-GFCCVEGCSA-N 1 0 316.239 3.415 10 0 DGAERO Cc1cnn([C@@H]2CCCN(Cc3ccc(Br)o3)C2)c1 ZINC000191344208 165243693 /nfs/dbraw/zinc/24/36/93/165243693.db2.gz JWRMMXIRGALLRV-GFCCVEGCSA-N 1 0 324.222 3.384 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH]1 ZINC000191691563 165265264 /nfs/dbraw/zinc/26/52/64/165265264.db2.gz KAPGQLDGQQZNTN-UHFFFAOYSA-N 1 0 304.825 3.400 10 0 DGAERO CCn1cc([C@@H]2C[N@H+](CC(C)(C)c3ccccc3)CCO2)cn1 ZINC000191703092 165265494 /nfs/dbraw/zinc/26/54/94/165265494.db2.gz KBCIYTOSUUIAIC-SFHVURJKSA-N 1 0 313.445 3.254 10 0 DGAERO O=C(Cc1ccccc1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192773299 165305736 /nfs/dbraw/zinc/30/57/36/165305736.db2.gz PYKYHFRHEVHVRV-UHFFFAOYSA-N 1 0 320.864 3.217 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1F ZINC000192813587 165308177 /nfs/dbraw/zinc/30/81/77/165308177.db2.gz BGLGLWFRXNSPNX-GXTWGEPZSA-N 1 0 318.371 3.074 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]CC[C@@H](C)c1ccccc1)CC2 ZINC000194397268 165344667 /nfs/dbraw/zinc/34/46/67/165344667.db2.gz MCNBWLSAYVYPTB-NVXWUHKLSA-N 1 0 312.461 3.500 10 0 DGAERO C[C@@H](CC[NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 ZINC000194491536 165346282 /nfs/dbraw/zinc/34/62/82/165346282.db2.gz DNEFDBHPKLVTEX-WMZOPIPTSA-N 1 0 312.461 3.172 10 0 DGAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194503970 165348673 /nfs/dbraw/zinc/34/86/73/165348673.db2.gz PSKMUEIFWGYCCT-ZBFHGGJFSA-N 1 0 314.433 3.043 10 0 DGAERO CC(C)c1noc([C@H](C)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000194733845 165354440 /nfs/dbraw/zinc/35/44/40/165354440.db2.gz BELQWCVMNYGGBZ-AWEZNQCLSA-N 1 0 306.454 3.062 10 0 DGAERO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195324231 165364609 /nfs/dbraw/zinc/36/46/09/165364609.db2.gz PJRBIHAVECFYAI-KGLIPLIRSA-N 1 0 323.506 3.324 10 0 DGAERO Cc1csc([C@H]2CCCN(Cc3nc(C(C)C)no3)C2)n1 ZINC000195325570 165365147 /nfs/dbraw/zinc/36/51/47/165365147.db2.gz HEVHBBYXTLZGEH-LBPRGKRZSA-N 1 0 306.435 3.338 10 0 DGAERO Cc1csc([C@H]2CCCN(Cc3ncc(Cl)n3C)C2)n1 ZINC000195323689 165365159 /nfs/dbraw/zinc/36/51/59/165365159.db2.gz UZCOVTOOFNGVIT-NSHDSACASA-N 1 0 310.854 3.218 10 0 DGAERO Cc1csc([C@@H]2CCCN(Cc3ncc(Cl)n3C)C2)n1 ZINC000195323679 165365409 /nfs/dbraw/zinc/36/54/09/165365409.db2.gz UZCOVTOOFNGVIT-LLVKDONJSA-N 1 0 310.854 3.218 10 0 DGAERO c1csc([C@@H]2CCC[N@@H+](Cc3cccc4c3OCCO4)C2)n1 ZINC000195357944 165367830 /nfs/dbraw/zinc/36/78/30/165367830.db2.gz UQMWQMHDAGQHTE-CQSZACIVSA-N 1 0 316.426 3.294 10 0 DGAERO CC(C)OCCN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195399233 165368926 /nfs/dbraw/zinc/36/89/26/165368926.db2.gz DYPBZEKMNDKYGK-ZDUSSCGKSA-N 1 0 312.479 3.239 10 0 DGAERO CCc1csc([C@@H]2CCCN([C@@H](C)c3nnc(C)o3)C2)n1 ZINC000195383423 165369161 /nfs/dbraw/zinc/36/91/61/165369161.db2.gz ILMXHKOKBANJDA-CMPLNLGQSA-N 1 0 306.435 3.338 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+](CC(=O)N3CCCC[C@@H]3C)C2)n1 ZINC000195441173 165370518 /nfs/dbraw/zinc/37/05/18/165370518.db2.gz RSPGFILZHSUSQX-GJZGRUSLSA-N 1 0 321.490 3.032 10 0 DGAERO c1ccc(CC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000195510341 165372187 /nfs/dbraw/zinc/37/21/87/165372187.db2.gz SNLUOMSTKIWNBL-QGZVFWFLSA-N 1 0 310.445 3.384 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1F ZINC000245872515 165488297 /nfs/dbraw/zinc/48/82/97/165488297.db2.gz LQYNSMHJXIQMOD-AADNMHCOSA-N 1 0 305.393 3.443 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2F)[C@@H](C)C1 ZINC000246113806 165502380 /nfs/dbraw/zinc/50/23/80/165502380.db2.gz XUTVXEIBYHIPGQ-FZMZJTMJSA-N 1 0 312.816 3.281 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)/C=C/C(C)(C)C ZINC000246966491 165554246 /nfs/dbraw/zinc/55/42/46/165554246.db2.gz KAAAFADSPBZHBE-KUSDTNGLSA-N 1 0 315.461 3.011 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ccccc3n2)[C@@H](C)C1 ZINC000247457082 165585186 /nfs/dbraw/zinc/58/51/86/165585186.db2.gz QSOWMHYYVCVUNW-KBXCAEBGSA-N 1 0 311.429 3.037 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248814099 165651510 /nfs/dbraw/zinc/65/15/10/165651510.db2.gz KTXXFFZPHAEDIX-JBBXEZCESA-N 1 0 302.418 3.253 10 0 DGAERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1C ZINC000251849766 165695134 /nfs/dbraw/zinc/69/51/34/165695134.db2.gz NLBXLFLFPSVXHC-SWLSCSKDSA-N 1 0 310.825 3.025 10 0 DGAERO [NH3+]C1(c2noc(-c3ccc(-c4nc(C5CC5)no4)cc3)n2)CCC1 ZINC000261614720 165722516 /nfs/dbraw/zinc/72/25/16/165722516.db2.gz BEPSWLFARZCNNT-UHFFFAOYSA-N 1 0 323.356 3.002 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1cccc2ccccc21 ZINC000261623382 165723262 /nfs/dbraw/zinc/72/32/62/165723262.db2.gz IHBBZRSSGARDSS-JOIKAWEESA-N 1 0 322.452 3.405 10 0 DGAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[C@H]1c1ccccc1 ZINC000261631140 165725196 /nfs/dbraw/zinc/72/51/96/165725196.db2.gz BURPDNXMICDIGN-NXWXRZEISA-N 1 0 314.473 3.404 10 0 DGAERO CC(C)Oc1ccc(Cl)cc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261733778 165742350 /nfs/dbraw/zinc/74/23/50/165742350.db2.gz CYQGTHRWINISQS-OAHLLOKOSA-N 1 0 324.852 3.327 10 0 DGAERO CC1(C)CN(C(=O)c2ccc(Cl)c3cccnc23)CC[C@@H]1[NH3+] ZINC000261801691 165749623 /nfs/dbraw/zinc/74/96/23/165749623.db2.gz HAAXXZLCCOJAAZ-AWEZNQCLSA-N 1 0 317.820 3.088 10 0 DGAERO C[NH2+][C@H](C)Cc1noc(-c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000261804268 165750625 /nfs/dbraw/zinc/75/06/25/165750625.db2.gz PJZSSWKMUQLQJI-GFCCVEGCSA-N 1 0 305.381 3.458 10 0 DGAERO CC(C)(CNC1=[NH+]CCCN1)c1ccc(Cl)c(Cl)c1 ZINC000261901725 165762212 /nfs/dbraw/zinc/76/22/12/165762212.db2.gz WDSYTEXNFGCKMY-UHFFFAOYSA-N 1 0 300.233 3.210 10 0 DGAERO [NH3+][C@H]1CCCCCC[C@H]1c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000261974154 165772643 /nfs/dbraw/zinc/77/26/43/165772643.db2.gz IOEXLPXKULKXJX-CABCVRRESA-N 1 0 313.401 3.437 10 0 DGAERO Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261989372 165775251 /nfs/dbraw/zinc/77/52/51/165775251.db2.gz MQSRVARKIRREFZ-CQSZACIVSA-N 1 0 304.365 3.080 10 0 DGAERO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261987975 165775387 /nfs/dbraw/zinc/77/53/87/165775387.db2.gz MPQGINISTJPOKI-WFASDCNBSA-N 1 0 324.852 3.002 10 0 DGAERO CCCOc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000262025402 165777226 /nfs/dbraw/zinc/77/72/26/165777226.db2.gz YDOXCXVBZXXRPG-XYPHTWIQSA-N 1 0 302.418 3.335 10 0 DGAERO CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262062949 165781715 /nfs/dbraw/zinc/78/17/15/165781715.db2.gz RUWFNIPXUWRVGZ-CABCVRRESA-N 1 0 306.475 3.143 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1csc(C2CC2)n1 ZINC000262087794 165785113 /nfs/dbraw/zinc/78/51/13/165785113.db2.gz UODUNZMBGSBLSS-UHFFFAOYSA-N 1 0 301.459 3.024 10 0 DGAERO CCC[C@@H]1C[NH2+]CCN1Cc1sc(C)nc1C(F)(F)F ZINC000262116254 165787654 /nfs/dbraw/zinc/78/76/54/165787654.db2.gz LIDWJPOECQEHRG-SNVBAGLBSA-N 1 0 307.385 3.044 10 0 DGAERO CC1CCN(C(=[NH2+])N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC1 ZINC000262394333 165801107 /nfs/dbraw/zinc/80/11/07/165801107.db2.gz QCIUXVNYXLALDO-LSDHHAIUSA-N 1 0 323.387 3.400 10 0 DGAERO C[C@H](C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1C[NH2+]C1 ZINC000262623828 165814062 /nfs/dbraw/zinc/81/40/62/165814062.db2.gz ZWLYQDLWHCZEMG-LBPRGKRZSA-N 1 0 320.396 3.024 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)C1 ZINC000355422468 165918078 /nfs/dbraw/zinc/91/80/78/165918078.db2.gz ODEZELDONBSGMP-RGIVZKHGSA-N 1 0 300.446 3.027 10 0 DGAERO CC(C)CCn1cccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128628182 195978591 /nfs/dbraw/zinc/97/85/91/195978591.db2.gz GIQMKFUXQHGVKM-KRWDZBQOSA-N 1 0 315.465 3.038 10 0 DGAERO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000365904179 287186952 /nfs/dbraw/zinc/18/69/52/287186952.db2.gz VSBYFKLXDJTWID-BRWVUGGUSA-N 1 0 304.478 3.290 10 0 DGAERO COc1ccc([C@H](CCO)[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000128697704 195985101 /nfs/dbraw/zinc/98/51/01/195985101.db2.gz ZEVXVCOFUYVSEE-IBGZPJMESA-N 1 0 322.408 3.457 10 0 DGAERO CC(C)=C(F)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000129044772 196015334 /nfs/dbraw/zinc/01/53/34/196015334.db2.gz XOUKKROIXSVINW-UHFFFAOYSA-N 1 0 319.424 3.419 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1OC ZINC000246660581 432152180 /nfs/dbraw/zinc/15/21/80/432152180.db2.gz XOVASWKLFPHPHQ-KBPBESRZSA-N 1 0 322.836 3.047 10 0 DGAERO Cc1ccc2ncc(C[NH2+]CCc3cc(C)c(O)c(C)c3)n2c1 ZINC000190396289 432152665 /nfs/dbraw/zinc/15/26/65/432152665.db2.gz XLWCMUSHIMLACB-UHFFFAOYSA-N 1 0 309.413 3.297 10 0 DGAERO CSCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246621166 432150801 /nfs/dbraw/zinc/15/08/01/432150801.db2.gz GFUVKQIAMLLKFT-HZPDHXFCSA-N 1 0 312.523 3.243 10 0 DGAERO Cc1cc(CC[NH2+]Cc2cn(C)nc2C(C)(C)C)cc(C)c1O ZINC000190393088 432151397 /nfs/dbraw/zinc/15/13/97/432151397.db2.gz NDKUXVGBUZJQJV-UHFFFAOYSA-N 1 0 315.461 3.372 10 0 DGAERO COCCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000136684858 432159678 /nfs/dbraw/zinc/15/96/78/432159678.db2.gz QPRIBUBWFHPFIF-QGZVFWFLSA-N 1 0 319.445 3.293 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246744629 432161030 /nfs/dbraw/zinc/16/10/30/432161030.db2.gz ASEWKNDWAVBNMC-GJZGRUSLSA-N 1 0 319.449 3.340 10 0 DGAERO Cc1nc2ccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2o1 ZINC000246747787 432161654 /nfs/dbraw/zinc/16/16/54/432161654.db2.gz BBLYADXDMGCNDC-FZMZJTMJSA-N 1 0 316.405 3.083 10 0 DGAERO Cc1nc2ccccc2nc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000171633625 432153539 /nfs/dbraw/zinc/15/35/39/432153539.db2.gz AHQYHMCRGVYRSL-UHFFFAOYSA-N 1 0 321.428 3.047 10 0 DGAERO C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246697939 432154919 /nfs/dbraw/zinc/15/49/19/432154919.db2.gz VZVYAMZRUNMHHC-HLLBOEOZSA-N 1 0 302.462 3.377 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O)Cc1ccccc1 ZINC000182079110 432156361 /nfs/dbraw/zinc/15/63/61/432156361.db2.gz VLXAJUBXHXQJKM-QFBILLFUSA-N 1 0 323.440 3.045 10 0 DGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2nc3ccccc3o2)C1 ZINC000190448220 432156920 /nfs/dbraw/zinc/15/69/20/432156920.db2.gz MIBPNJFCCFDXSN-MRXNPFEDSA-N 1 0 322.412 3.181 10 0 DGAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000190487965 432162165 /nfs/dbraw/zinc/16/21/65/432162165.db2.gz FBKPVLNZUDJBRP-HXUWFJFHSA-N 1 0 309.457 3.078 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](Cc1cnc(CC(C)C)s1)C1CC1 ZINC000182069082 432157163 /nfs/dbraw/zinc/15/71/63/432157163.db2.gz KHPIINKQWQFHKF-GFCCVEGCSA-N 1 0 310.463 3.115 10 0 DGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000190437592 432157544 /nfs/dbraw/zinc/15/75/44/432157544.db2.gz PVRDGRKAJGTDBN-QGZVFWFLSA-N 1 0 324.428 3.067 10 0 DGAERO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3scnc3C)C2)o1 ZINC000190458642 432158693 /nfs/dbraw/zinc/15/86/93/432158693.db2.gz ARCKMZPLHIDBKP-OAHLLOKOSA-N 1 0 319.474 3.307 10 0 DGAERO C[C@H](CCc1ccccc1F)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246724122 432158940 /nfs/dbraw/zinc/15/89/40/432158940.db2.gz DYBPNUQLNBWACO-VYDXJSESSA-N 1 0 320.452 3.336 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)[C@@H](C)C1 ZINC000246766135 432162960 /nfs/dbraw/zinc/16/29/60/432162960.db2.gz LMISUXBUVBTBJM-ZQIUZPCESA-N 1 0 306.425 3.118 10 0 DGAERO Cc1cc2oc(=O)cc(C[N@@H+]3CCS[C@@H](C)C3)c2cc1C ZINC000171700345 432163599 /nfs/dbraw/zinc/16/35/99/432163599.db2.gz ZLWUATZOZGNRRM-ZDUSSCGKSA-N 1 0 303.427 3.347 10 0 DGAERO CCc1ccc2c(C[N@@H+]3CCS[C@@H](C)C3)cc(=O)oc2c1 ZINC000171700695 432163838 /nfs/dbraw/zinc/16/38/38/432163838.db2.gz JDWOYWNPSHZPSL-LBPRGKRZSA-N 1 0 303.427 3.293 10 0 DGAERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000190497374 432165600 /nfs/dbraw/zinc/16/56/00/432165600.db2.gz BKTSPJBHZBPZCJ-QGZVFWFLSA-N 1 0 324.509 3.305 10 0 DGAERO CSc1ccc(C)c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246805831 432166268 /nfs/dbraw/zinc/16/62/68/432166268.db2.gz DDWNSYAMFCZLCG-CZUORRHYSA-N 1 0 306.475 3.175 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccco1 ZINC000246819599 432169081 /nfs/dbraw/zinc/16/90/81/432169081.db2.gz BCCUVJMQOIRXSA-RBSFLKMASA-N 1 0 315.417 3.139 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(SC)cc1 ZINC000171839976 432177128 /nfs/dbraw/zinc/17/71/28/432177128.db2.gz XWYLRXSGUFUBQM-OAHLLOKOSA-N 1 0 321.490 3.082 10 0 DGAERO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000246900658 432177425 /nfs/dbraw/zinc/17/74/25/432177425.db2.gz RKQCVWQPMVJYBY-YJBOKZPZSA-N 1 0 318.436 3.283 10 0 DGAERO COc1cc([C@H](C)[NH2+]CC2(C)OCCCO2)ccc1SC ZINC000190647482 432178847 /nfs/dbraw/zinc/17/88/47/432178847.db2.gz IZAMRIRABHRWEE-LBPRGKRZSA-N 1 0 311.447 3.221 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(C)cc(C)cc3C)[C@@H]2C1 ZINC000246911423 432179414 /nfs/dbraw/zinc/17/94/14/432179414.db2.gz RQWKQQIKWJPWLS-QRQLOZEOSA-N 1 0 303.446 3.380 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2OC)n1 ZINC000171859768 432179541 /nfs/dbraw/zinc/17/95/41/432179541.db2.gz TUTLJFFNIAFQGP-KRWDZBQOSA-N 1 0 312.413 3.306 10 0 DGAERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(Br)cc1 ZINC000190673212 432180597 /nfs/dbraw/zinc/18/05/97/432180597.db2.gz WBTMAYBWZGCVOV-NSHDSACASA-N 1 0 314.223 3.253 10 0 DGAERO CCc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000137820781 432181333 /nfs/dbraw/zinc/18/13/33/432181333.db2.gz LKCUWBYHMYIPHM-UHFFFAOYSA-N 1 0 323.506 3.230 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2SCCc3sccc32)CC[N@@H+]1C ZINC000246920341 432181876 /nfs/dbraw/zinc/18/18/76/432181876.db2.gz QPQPLKNYNFZGNX-TYNCELHUSA-N 1 0 324.515 3.020 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000246849690 432172626 /nfs/dbraw/zinc/17/26/26/432172626.db2.gz FQDBDWDTLYZZAK-BLLLJJGKSA-N 1 0 310.388 3.059 10 0 DGAERO COc1c(C)ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246861484 432173865 /nfs/dbraw/zinc/17/38/65/432173865.db2.gz SPSFESHPFQIGEN-ZFWWWQNUSA-N 1 0 319.449 3.258 10 0 DGAERO Fc1cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000269461916 432176019 /nfs/dbraw/zinc/17/60/19/432176019.db2.gz HGMOIPUFDBWZOX-ALOPSCKCSA-N 1 0 312.392 3.223 10 0 DGAERO CS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000246964292 432184965 /nfs/dbraw/zinc/18/49/65/432184965.db2.gz VBYVGIZUACWLER-BFYDXBDKSA-N 1 0 320.502 3.470 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129701360 196069262 /nfs/dbraw/zinc/06/92/62/196069262.db2.gz ITMGAATWUJGHJS-ZLPCBKJTSA-N 1 0 302.462 3.102 10 0 DGAERO CC[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000246980197 432186873 /nfs/dbraw/zinc/18/68/73/432186873.db2.gz FKONXLBDKFGISM-UONOGXRCSA-N 1 0 320.399 3.299 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(Cl)cc1 ZINC000246982406 432187077 /nfs/dbraw/zinc/18/70/77/432187077.db2.gz ONODNGUMQRHCSE-SJORKVTESA-N 1 0 320.864 3.358 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(CC(C)C)n1 ZINC000246982827 432188773 /nfs/dbraw/zinc/18/87/73/432188773.db2.gz OOPPOJKUJXZNNI-KGLIPLIRSA-N 1 0 321.490 3.040 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)c(Cl)c1 ZINC000247009292 432190984 /nfs/dbraw/zinc/19/09/84/432190984.db2.gz RDWXUUXEZQMSMP-CABCVRRESA-N 1 0 306.837 3.347 10 0 DGAERO CC(C)Oc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000247016307 432191477 /nfs/dbraw/zinc/19/14/77/432191477.db2.gz QETCJTYTMDCNFA-IAGOWNOFSA-N 1 0 307.459 3.180 10 0 DGAERO Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCN(C)[C@@H](C)C3)C2)cc1 ZINC000247066163 432198441 /nfs/dbraw/zinc/19/84/41/432198441.db2.gz MSDUCGWNFNMHCY-KSZLIROESA-N 1 0 301.478 3.036 10 0 DGAERO Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCN(C)[C@H](C)C3)C2)cc1 ZINC000247066178 432198591 /nfs/dbraw/zinc/19/85/91/432198591.db2.gz MSDUCGWNFNMHCY-SQNIBIBYSA-N 1 0 301.478 3.036 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](CCc2cccnc2)CC1 ZINC000172165430 432199141 /nfs/dbraw/zinc/19/91/41/432199141.db2.gz BXWNIWZJRDDONU-UHFFFAOYSA-N 1 0 321.468 3.399 10 0 DGAERO C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1F ZINC000247037508 432193285 /nfs/dbraw/zinc/19/32/85/432193285.db2.gz GMTSXMFLZUSVJH-KFWWJZLASA-N 1 0 304.409 3.014 10 0 DGAERO Cc1ccc(CCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000150823378 432195347 /nfs/dbraw/zinc/19/53/47/432195347.db2.gz AWXZTDQLAWSIFF-LJQANCHMSA-N 1 0 314.473 3.405 10 0 DGAERO C[C@@]1(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000150844626 432196369 /nfs/dbraw/zinc/19/63/69/432196369.db2.gz OMFJTXPLLZSZRU-JSGCOSHPSA-N 1 0 319.276 3.047 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000247048718 432196653 /nfs/dbraw/zinc/19/66/53/432196653.db2.gz MBMZGSQJGIAKON-BMGTVUPLSA-N 1 0 305.418 3.312 10 0 DGAERO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000182508364 432197138 /nfs/dbraw/zinc/19/71/38/432197138.db2.gz ZBMZNCORJQMDDM-OLZOCXBDSA-N 1 0 318.442 3.285 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)C1CCCC1 ZINC000172169906 432201365 /nfs/dbraw/zinc/20/13/65/432201365.db2.gz WICKHFFLMDMPPH-KGLIPLIRSA-N 1 0 306.425 3.341 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(-c2ccco2)n1 ZINC000247081272 432200713 /nfs/dbraw/zinc/20/07/13/432200713.db2.gz HVAGRYPWIIICIY-OCCSQVGLSA-N 1 0 303.431 3.072 10 0 DGAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000130525792 196087794 /nfs/dbraw/zinc/08/77/94/196087794.db2.gz FHKMSCWBBCSOJY-CQSZACIVSA-N 1 0 323.506 3.314 10 0 DGAERO CCOc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccs2)cc1 ZINC000182551261 432202511 /nfs/dbraw/zinc/20/25/11/432202511.db2.gz QZLPAIXSSAQDFN-KGLIPLIRSA-N 1 0 321.442 3.237 10 0 DGAERO COC(=O)c1coc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000130724981 196104532 /nfs/dbraw/zinc/10/45/32/196104532.db2.gz VKZRIGFYIHOXCL-QWRGUYRKSA-N 1 0 305.296 3.277 10 0 DGAERO CC(C)C1CCC([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000131041379 196134832 /nfs/dbraw/zinc/13/48/32/196134832.db2.gz QARKZXAIXYHTHZ-VQCLRJIVSA-N 1 0 324.490 3.199 10 0 DGAERO C[C@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)c1cccc(F)c1 ZINC000172287037 432206682 /nfs/dbraw/zinc/20/66/82/432206682.db2.gz OGCOWFNPVUUQEG-CQSZACIVSA-N 1 0 304.409 3.016 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000247182280 432209552 /nfs/dbraw/zinc/20/95/52/432209552.db2.gz NQSLSQSDXKLHED-DLBZAZTESA-N 1 0 317.408 3.047 10 0 DGAERO C[N@@H+](Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCC[C@H]1O ZINC000247200767 432211510 /nfs/dbraw/zinc/21/15/10/432211510.db2.gz YPAGSJZTCPWTFD-SWLSCSKDSA-N 1 0 304.365 3.074 10 0 DGAERO CCOC(=O)c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)o1 ZINC000182623504 432212111 /nfs/dbraw/zinc/21/21/11/432212111.db2.gz IYBTXOSVNJTPLT-ZDUSSCGKSA-N 1 0 307.390 3.038 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC2(CC2)c2ccccc21 ZINC000172431988 432214157 /nfs/dbraw/zinc/21/41/57/432214157.db2.gz DUPAVCZUBWGVCL-IBGZPJMESA-N 1 0 320.436 3.238 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000150953324 432204988 /nfs/dbraw/zinc/20/49/88/432204988.db2.gz QNNWEWSFYNJWSN-LSDHHAIUSA-N 1 0 302.422 3.123 10 0 DGAERO O=c1c2ccccc2ncn1CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000172249108 432205994 /nfs/dbraw/zinc/20/59/94/432205994.db2.gz AMTXGZNUIAHIBO-HXUWFJFHSA-N 1 0 323.440 3.219 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000247363740 432224698 /nfs/dbraw/zinc/22/46/98/432224698.db2.gz CKDSYKRBJOOLBX-BRWVUGGUSA-N 1 0 309.498 3.329 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000247355310 432225368 /nfs/dbraw/zinc/22/53/68/432225368.db2.gz OGCPAXZILQCVOT-ILXRZTDVSA-N 1 0 321.490 3.323 10 0 DGAERO Cc1ccc(C[C@H](C)NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)s1 ZINC000247375021 432226506 /nfs/dbraw/zinc/22/65/06/432226506.db2.gz PKDWEOQHPXGZML-DVOMOZLQSA-N 1 0 323.506 3.015 10 0 DGAERO COc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1Cl ZINC000247397442 432226809 /nfs/dbraw/zinc/22/68/09/432226809.db2.gz WRIBGCMNXDELKD-AAEUAGOBSA-N 1 0 323.824 3.049 10 0 DGAERO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247397763 432227072 /nfs/dbraw/zinc/22/70/72/432227072.db2.gz YBRSZDSAYVPHSE-CHWSQXEVSA-N 1 0 306.360 3.030 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3ncccc32)[C@@H](C)C1 ZINC000247403414 432227362 /nfs/dbraw/zinc/22/73/62/432227362.db2.gz MSTSIGZBRUNOAI-KSSFIOAISA-N 1 0 311.429 3.037 10 0 DGAERO C[C@@H]1C[C@@H](C[NH3+])CN1CCOc1c(Cl)cccc1Cl ZINC000131466987 196171921 /nfs/dbraw/zinc/17/19/21/196171921.db2.gz HVPICAIXJYCLQV-MNOVXSKESA-N 1 0 303.233 3.041 10 0 DGAERO CC(C)N1C[C@H](C)[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000247264770 432216723 /nfs/dbraw/zinc/21/67/23/432216723.db2.gz XTPJQLABJSNBTD-ZGRYLRDCSA-N 1 0 324.509 3.205 10 0 DGAERO CC[C@@H]([NH2+]CCCCOCc1ccccc1)c1nccn1C ZINC000182693812 432218772 /nfs/dbraw/zinc/21/87/72/432218772.db2.gz HGPHQYGYFRHCKS-QGZVFWFLSA-N 1 0 301.434 3.458 10 0 DGAERO Cc1oc(-c2cccs2)nc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247309356 432221766 /nfs/dbraw/zinc/22/17/66/432221766.db2.gz NXQFEKZCQNECEZ-TZMCWYRMSA-N 1 0 317.458 3.380 10 0 DGAERO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1CCCC1 ZINC000172591368 432223070 /nfs/dbraw/zinc/22/30/70/432223070.db2.gz QYJIQFLNHNEVFT-OAHLLOKOSA-N 1 0 307.482 3.225 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182731818 432223175 /nfs/dbraw/zinc/22/31/75/432223175.db2.gz DGQBENXDFDZWEF-MRXNPFEDSA-N 1 0 316.424 3.249 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)CO)cc1Br ZINC000131698140 196191642 /nfs/dbraw/zinc/19/16/42/196191642.db2.gz LZMKDSHFBBXUBH-AXFHLTTASA-N 1 0 316.239 3.125 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131810327 196200812 /nfs/dbraw/zinc/20/08/12/196200812.db2.gz DEQXVYSXMWDCGE-SFHVURJKSA-N 1 0 321.428 3.456 10 0 DGAERO [NH3+]C1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000131884030 196206976 /nfs/dbraw/zinc/20/69/76/196206976.db2.gz MOYRQKGAUZJWFX-UHFFFAOYSA-N 1 0 302.349 3.085 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2cncc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000132047689 196222058 /nfs/dbraw/zinc/22/20/58/196222058.db2.gz KZEZUBVFQVRILJ-DNVCBOLYSA-N 1 0 323.440 3.303 10 0 DGAERO C[C@@H](C[N@H+](Cc1ccc(F)cc1)C(C)(C)C)CS(C)(=O)=O ZINC000132814776 196286357 /nfs/dbraw/zinc/28/63/57/196286357.db2.gz INDMOXFUNMNJPO-ZDUSSCGKSA-N 1 0 315.454 3.107 10 0 DGAERO CN1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CCC1=O ZINC000133024327 196305168 /nfs/dbraw/zinc/30/51/68/196305168.db2.gz SXONPVKFGZFQDZ-MJGOQNOKSA-N 1 0 312.388 3.126 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000133228041 196323068 /nfs/dbraw/zinc/32/30/68/196323068.db2.gz XTPMINPRZYUZFA-STQMWFEESA-N 1 0 307.825 3.349 10 0 DGAERO CCOc1cc2c(cc1C[NH2+][C@@H]1CCCSC1)O[C@H](C)C2 ZINC000135698551 196499703 /nfs/dbraw/zinc/49/97/03/196499703.db2.gz MYJYRYRNNMYOQS-IUODEOHRSA-N 1 0 307.459 3.394 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000152315305 227071984 /nfs/dbraw/zinc/07/19/84/227071984.db2.gz WFICQSBEHZFVCR-HZMBPMFUSA-N 1 0 316.214 3.229 10 0 DGAERO COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)ccc1F ZINC000152549047 227072819 /nfs/dbraw/zinc/07/28/19/227072819.db2.gz IRVUUEBOKSNWDG-NSHDSACASA-N 1 0 303.333 3.414 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000291467116 222408547 /nfs/dbraw/zinc/40/85/47/222408547.db2.gz DMKDISRPZFVVEI-SFHVURJKSA-N 1 0 316.489 3.375 10 0 DGAERO OCCC1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000157344000 228233113 /nfs/dbraw/zinc/23/31/13/228233113.db2.gz WGAVIXGZAXOTQH-UHFFFAOYSA-N 1 0 305.752 3.194 10 0 DGAERO C[NH+](C)C1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1 ZINC000172588234 228276637 /nfs/dbraw/zinc/27/66/37/228276637.db2.gz QQTFBHCWWRXFND-UHFFFAOYSA-N 1 0 317.433 3.033 10 0 DGAERO Fc1ccc(-n2ccc(C[N@H+](C[C@H]3CCOC3)C3CC3)n2)cc1 ZINC000173525266 228282334 /nfs/dbraw/zinc/28/23/34/228282334.db2.gz PCUBRDINZFREQY-CQSZACIVSA-N 1 0 315.392 3.012 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000175173460 228297633 /nfs/dbraw/zinc/29/76/33/228297633.db2.gz JKRQKFYHHUFZAF-ICSRJNTNSA-N 1 0 310.441 3.005 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)NCCCC2CCCC2)CC1 ZINC000178612826 228344698 /nfs/dbraw/zinc/34/46/98/228344698.db2.gz CGFNGDIHWNZGEJ-UHFFFAOYSA-N 1 0 309.498 3.376 10 0 DGAERO Cn1cccc1[C@H]1CCCN1Cc1nc(C2CCCC2)no1 ZINC000178745337 228346370 /nfs/dbraw/zinc/34/63/70/228346370.db2.gz RYPJQTDUFXLZPG-OAHLLOKOSA-N 1 0 300.406 3.403 10 0 DGAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000261665934 287556056 /nfs/dbraw/zinc/55/60/56/287556056.db2.gz CKMMESDAXRJOCJ-QHSBEEBCSA-N 1 0 306.837 3.029 10 0 DGAERO Cc1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c(Cl)cc1F ZINC000130328025 292633517 /nfs/dbraw/zinc/63/35/17/292633517.db2.gz ZORLPJWBSJZSGJ-GFCCVEGCSA-N 1 0 314.832 3.494 10 0 DGAERO Cc1ccccc1C1(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000130575225 292636871 /nfs/dbraw/zinc/63/68/71/292636871.db2.gz DNVNZGYKVAQMJU-UHFFFAOYSA-N 1 0 314.473 3.263 10 0 DGAERO c1nc2c(n1[C@@H]1CC[N@@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000299740356 229374276 /nfs/dbraw/zinc/37/42/76/229374276.db2.gz YVLDYKAOGSKBSH-CQSZACIVSA-N 1 0 322.412 3.350 10 0 DGAERO c1ccc(-c2noc(CC[NH2+][C@@H](c3cccnc3)C3CC3)n2)cc1 ZINC000411507709 229793355 /nfs/dbraw/zinc/79/33/55/229793355.db2.gz SKFQOBCWMXMIRJ-GOSISDBHSA-N 1 0 320.396 3.415 10 0 DGAERO C[NH+](C)CCCNC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000041319008 263517012 /nfs/dbraw/zinc/51/70/12/263517012.db2.gz RXGUUHSQDATSGO-UHFFFAOYSA-N 1 0 304.478 3.375 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089455272 263530701 /nfs/dbraw/zinc/53/07/01/263530701.db2.gz FOWIVJMAVJBUCA-VXGBXAGGSA-N 1 0 315.244 3.327 10 0 DGAERO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C(C)C)cc1 ZINC000184964007 263622500 /nfs/dbraw/zinc/62/25/00/263622500.db2.gz PJFNSPSYWHVSLV-ZWKOTPCHSA-N 1 0 302.462 3.437 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2)[NH+](C)C ZINC000188629436 263698416 /nfs/dbraw/zinc/69/84/16/263698416.db2.gz AHSKUKIPHWBDHC-SUMWQHHRSA-N 1 0 306.406 3.253 10 0 DGAERO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000189088464 263709395 /nfs/dbraw/zinc/70/93/95/263709395.db2.gz HJVSLSZMJXZIKX-GFCCVEGCSA-N 1 0 318.417 3.265 10 0 DGAERO COc1cc(Cl)c(C[NH2+]CC2(CCO)CC2)cc1Cl ZINC000190002109 263731042 /nfs/dbraw/zinc/73/10/42/263731042.db2.gz LFGXETUTCNPQPK-UHFFFAOYSA-N 1 0 304.217 3.254 10 0 DGAERO C(=C/c1ccccc1)\CN1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347386023 264212468 /nfs/dbraw/zinc/21/24/68/264212468.db2.gz AJFLGVJTFCCDGV-AQDCRGGLSA-N 1 0 314.473 3.277 10 0 DGAERO c1ccc(COCCC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000347489552 264228885 /nfs/dbraw/zinc/22/88/85/264228885.db2.gz SFZODQFDDHKIIE-OALUTQOASA-N 1 0 303.446 3.342 10 0 DGAERO Brc1cccc2[nH]cc(CC[NH2+]Cc3cocn3)c21 ZINC000353183936 265333620 /nfs/dbraw/zinc/33/36/20/265333620.db2.gz BDTDOXDGLJMUOV-UHFFFAOYSA-N 1 0 320.190 3.251 10 0 DGAERO Cc1c(Br)cccc1C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191169657 432230069 /nfs/dbraw/zinc/23/00/69/432230069.db2.gz WRMGWKMYGNFCOC-QWRGUYRKSA-N 1 0 312.251 3.491 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000247408390 432229347 /nfs/dbraw/zinc/22/93/47/432229347.db2.gz MLPYVEYHMQBQHR-GDBMZVCRSA-N 1 0 306.475 3.158 10 0 DGAERO COc1ccc(-c2noc([C@H](C)[NH+]3CCCCCC3)n2)cn1 ZINC000191170646 432230399 /nfs/dbraw/zinc/23/03/99/432230399.db2.gz URWSZXRRHSSFKU-LBPRGKRZSA-N 1 0 302.378 3.077 10 0 DGAERO Brc1cccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000355114471 265970068 /nfs/dbraw/zinc/97/00/68/265970068.db2.gz PERKYAGUEQVGKI-DZGCQCFKSA-N 1 0 310.235 3.450 10 0 DGAERO c1ccc2c(c1)nc(CN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)n2C1CC1 ZINC000355503435 266096089 /nfs/dbraw/zinc/09/60/89/266096089.db2.gz AYPYUKQOBFYXNY-GDBMZVCRSA-N 1 0 310.445 3.088 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000356436278 266390941 /nfs/dbraw/zinc/39/09/41/266390941.db2.gz XZRJBHZWHDEFEV-INDWDQIESA-N 1 0 309.356 3.148 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000247473340 432234005 /nfs/dbraw/zinc/23/40/05/432234005.db2.gz SCDJFMBJDORPDD-MPGHIAIKSA-N 1 0 320.452 3.193 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191196238 432234486 /nfs/dbraw/zinc/23/44/86/432234486.db2.gz RLZVQESZIORCLD-SUMWQHHRSA-N 1 0 317.433 3.165 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(s1)CCCCC2 ZINC000247481884 432234563 /nfs/dbraw/zinc/23/45/63/432234563.db2.gz SSLZBQKZXNPZOO-HIFRSBDPSA-N 1 0 318.486 3.326 10 0 DGAERO CCn1nc(C)c(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1C ZINC000191225069 432237822 /nfs/dbraw/zinc/23/78/22/432237822.db2.gz MPAWKNKPJUGXRE-UHFFFAOYSA-N 1 0 305.466 3.443 10 0 DGAERO Cc1ccc(C)c(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247517508 432238403 /nfs/dbraw/zinc/23/84/03/432238403.db2.gz WESREYQKRIBDOH-DLBZAZTESA-N 1 0 318.461 3.013 10 0 DGAERO CC(C)NC(=O)CC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191238570 432239586 /nfs/dbraw/zinc/23/95/86/432239586.db2.gz QHFYTGMJFOZGHT-UHFFFAOYSA-N 1 0 316.367 3.356 10 0 DGAERO CCn1c2ccc(F)cc2nc1CN[C@@H](CO)c1ccccc1 ZINC000182902833 432239861 /nfs/dbraw/zinc/23/98/61/432239861.db2.gz LZWBGRGLBQHQNV-INIZCTEOSA-N 1 0 313.376 3.019 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000247542850 432240103 /nfs/dbraw/zinc/24/01/03/432240103.db2.gz YOLTVYNOUWSNOG-CJNGLKHVSA-N 1 0 315.392 3.149 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000247541415 432240215 /nfs/dbraw/zinc/24/02/15/432240215.db2.gz YLHFWPQVZZKQJL-VDNDLQMASA-N 1 0 318.848 3.139 10 0 DGAERO C[C@@H]1CCc2sc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)cc2C1 ZINC000247536964 432240283 /nfs/dbraw/zinc/24/02/83/432240283.db2.gz YBEDAJGHZYFJFK-UMVBOHGHSA-N 1 0 318.486 3.182 10 0 DGAERO CCCCS[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000247552172 432242200 /nfs/dbraw/zinc/24/22/00/432242200.db2.gz YWGGVRBOPKUMFO-RBSFLKMASA-N 1 0 300.512 3.097 10 0 DGAERO CCc1ccc(-c2noc(CN3[C@H](C)CC(O)C[C@H]3C)n2)cc1 ZINC000191265109 432242245 /nfs/dbraw/zinc/24/22/45/432242245.db2.gz GOAFBPBKBUMOJX-CHWSQXEVSA-N 1 0 315.417 3.033 10 0 DGAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000247594779 432243271 /nfs/dbraw/zinc/24/32/71/432243271.db2.gz SAVSIXAGMPGVDB-HOTGVXAUSA-N 1 0 321.852 3.281 10 0 DGAERO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@H](C)CS(C)(=O)=O ZINC000247685690 432246158 /nfs/dbraw/zinc/24/61/58/432246158.db2.gz SCOZEVDCPBCBBG-RDJZCZTQSA-N 1 0 311.491 3.010 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000151430031 432245502 /nfs/dbraw/zinc/24/55/02/432245502.db2.gz FLZATBKNUDRZQO-HNNXBMFYSA-N 1 0 316.470 3.387 10 0 DGAERO Cc1cc2oc(=O)cc(C[N@H+]3CCOCC[C@@H]3C)c2cc1C ZINC000362471211 271022697 /nfs/dbraw/zinc/02/26/97/271022697.db2.gz GHBHPZIVZNLOMT-AWEZNQCLSA-N 1 0 301.386 3.021 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)CCC2 ZINC000367625865 271054649 /nfs/dbraw/zinc/05/46/49/271054649.db2.gz ZJAYCLVLAOIWMY-HKUYNNGSSA-N 1 0 310.445 3.214 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Br)cs1 ZINC000367708454 271069280 /nfs/dbraw/zinc/06/92/80/271069280.db2.gz OVPUSMZZMZBZJB-DMLMCSCLSA-N 1 0 302.237 3.054 10 0 DGAERO Cc1ccnc(C)c1NC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000367883463 271092839 /nfs/dbraw/zinc/09/28/39/271092839.db2.gz HRHSUUGSJOCPEV-HNNXBMFYSA-N 1 0 313.405 3.191 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000368039555 271123138 /nfs/dbraw/zinc/12/31/38/271123138.db2.gz XXWSGJWALLNZLN-OAHLLOKOSA-N 1 0 318.465 3.374 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000368039554 271123726 /nfs/dbraw/zinc/12/37/26/271123726.db2.gz XXWSGJWALLNZLN-HNNXBMFYSA-N 1 0 318.465 3.374 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+]Cc1ccccc1OC1CCCC1)CC2 ZINC000368080469 271130213 /nfs/dbraw/zinc/13/02/13/271130213.db2.gz CWWLMUSSEJMDEB-OAHLLOKOSA-N 1 0 311.429 3.378 10 0 DGAERO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247809862 432250665 /nfs/dbraw/zinc/25/06/65/432250665.db2.gz UNGAOSBATNXGBX-OXJNMPFZSA-N 1 0 321.424 3.498 10 0 DGAERO C/C(=C\C(C)(C)C)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000368414477 271157435 /nfs/dbraw/zinc/15/74/35/271157435.db2.gz XBPISYVRJOOMAR-JQIJEIRASA-N 1 0 322.493 3.130 10 0 DGAERO c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000368679972 271193547 /nfs/dbraw/zinc/19/35/47/271193547.db2.gz IQBDXOWMRSEMBF-SFHVURJKSA-N 1 0 322.456 3.481 10 0 DGAERO c1ccc2c(c1)CCC[C@H]2[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000368679971 271194011 /nfs/dbraw/zinc/19/40/11/271194011.db2.gz IQBDXOWMRSEMBF-GOSISDBHSA-N 1 0 322.456 3.481 10 0 DGAERO CC(=O)CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000369002186 271231081 /nfs/dbraw/zinc/23/10/81/271231081.db2.gz MTPZBPPGLCSQNR-UHFFFAOYSA-N 1 0 317.408 3.070 10 0 DGAERO Cc1nnc([C@@H]2CC23CC[NH+](Cc2ccc(C)nc2C)CC3)o1 ZINC000368999681 271231386 /nfs/dbraw/zinc/23/13/86/271231386.db2.gz FSIPHQMPMSXONM-INIZCTEOSA-N 1 0 312.417 3.160 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H]2CC3(CC3)C(=O)O2)o1 ZINC000369735001 271316020 /nfs/dbraw/zinc/31/60/20/271316020.db2.gz BIPAYVVIWVLLHD-YUELXQCFSA-N 1 0 303.402 3.457 10 0 DGAERO CCCc1ncc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000172994681 432252276 /nfs/dbraw/zinc/25/22/76/432252276.db2.gz CCGBOQICBNDNBY-AWEZNQCLSA-N 1 0 321.490 3.186 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247915470 432253847 /nfs/dbraw/zinc/25/38/47/432253847.db2.gz AWUTUWSNWAOHPV-AHRSYUTCSA-N 1 0 322.452 3.427 10 0 DGAERO C[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000247924448 432254544 /nfs/dbraw/zinc/25/45/44/432254544.db2.gz CLTMQEFHPYXOEX-LAVFITLUSA-N 1 0 300.446 3.374 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(Cl)cc1F ZINC000043275570 273641426 /nfs/dbraw/zinc/64/14/26/273641426.db2.gz LONIPNHXOWYPHL-SNVBAGLBSA-N 1 0 301.793 3.331 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1nccn1C ZINC000183100971 432258360 /nfs/dbraw/zinc/25/83/60/432258360.db2.gz PWOVGFHMIOYMPK-WFASDCNBSA-N 1 0 320.387 3.018 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@H]2SCCc3ccccc32)CCOCC1 ZINC000453126334 274015642 /nfs/dbraw/zinc/01/56/42/274015642.db2.gz IFRYEZHZGLBMIF-WMLDXEAASA-N 1 0 321.486 3.191 10 0 DGAERO COc1ccccc1CC[N@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000191996081 274156796 /nfs/dbraw/zinc/15/67/96/274156796.db2.gz VGNQCEZPTPFQMJ-GOSISDBHSA-N 1 0 324.424 3.123 10 0 DGAERO C[C@@H](C(=O)N1Cc2ccccc2C2(CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000186432351 274197460 /nfs/dbraw/zinc/19/74/60/274197460.db2.gz DQGFLAIJPAOVAL-XHSDSOJGSA-N 1 0 312.457 3.322 10 0 DGAERO C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1COc2ccccc21 ZINC000190208550 274246485 /nfs/dbraw/zinc/24/64/85/274246485.db2.gz OCLAHHFLTYBXMA-PBHICJAKSA-N 1 0 317.429 3.074 10 0 DGAERO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@H](c2ccc(F)cc2)O1 ZINC000163143560 274349457 /nfs/dbraw/zinc/34/94/57/274349457.db2.gz DXGPIJXWBCJNQF-FHLIZLRMSA-N 1 0 306.425 3.072 10 0 DGAERO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000181343879 274396554 /nfs/dbraw/zinc/39/65/54/274396554.db2.gz GDGCVENGQBDASU-RHSMWYFYSA-N 1 0 310.445 3.461 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000191384020 432258958 /nfs/dbraw/zinc/25/89/58/432258958.db2.gz UBKMVQKMEJTICV-HNNXBMFYSA-N 1 0 300.450 3.405 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000237850257 274668884 /nfs/dbraw/zinc/66/88/84/274668884.db2.gz LLBISYVINMDRQE-GWCFXTLKSA-N 1 0 306.793 3.252 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)cn1 ZINC000191381808 432259091 /nfs/dbraw/zinc/25/90/91/432259091.db2.gz PNOMPUFCTTWGOZ-KRWDZBQOSA-N 1 0 311.429 3.198 10 0 DGAERO COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCCO3)co2)cc1 ZINC000183103732 432259568 /nfs/dbraw/zinc/25/95/68/432259568.db2.gz ITTWYBZXLCONHU-LRDDRELGSA-N 1 0 302.374 3.007 10 0 DGAERO Cc1nc2ccccc2nc1C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000172552102 274852338 /nfs/dbraw/zinc/85/23/38/274852338.db2.gz LDLPURBQOOJDLX-IBGZPJMESA-N 1 0 313.445 3.359 10 0 DGAERO Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000247986291 432259908 /nfs/dbraw/zinc/25/99/08/432259908.db2.gz IHWXWIALKYLMBZ-QUCCMNQESA-N 1 0 308.425 3.099 10 0 DGAERO O=C1COc2c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc(Cl)cc2N1 ZINC000329219243 275045209 /nfs/dbraw/zinc/04/52/09/275045209.db2.gz ASRNPRQJFDMGCG-NWDGAFQWSA-N 1 0 321.808 3.359 10 0 DGAERO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000247257778 275055082 /nfs/dbraw/zinc/05/50/82/275055082.db2.gz YXJIPSHXAGLQBU-BBWFWOEESA-N 1 0 315.800 3.412 10 0 DGAERO c1cnc2c(c1)nccc2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338683215 275073689 /nfs/dbraw/zinc/07/36/89/275073689.db2.gz UMNGHDGXJRVCHG-YOEHRIQHSA-N 1 0 308.429 3.083 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(F)cc(F)c2)[C@H]([NH3+])C1 ZINC000044136248 275520357 /nfs/dbraw/zinc/52/03/57/275520357.db2.gz BLUYDXOVUOLRBW-UONOGXRCSA-N 1 0 312.360 3.017 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182340153 275557980 /nfs/dbraw/zinc/55/79/80/275557980.db2.gz DLLCHMWTKIIKSR-SFHVURJKSA-N 1 0 318.436 3.440 10 0 DGAERO CC(C)Oc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000245861541 275663025 /nfs/dbraw/zinc/66/30/25/275663025.db2.gz HXJYKLVTGVUEMJ-DJIMGWMZSA-N 1 0 304.434 3.162 10 0 DGAERO C=Cn1cc(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)cn1 ZINC000194546012 275753644 /nfs/dbraw/zinc/75/36/44/275753644.db2.gz GGBCZDASKOLBHN-KRWDZBQOSA-N 1 0 322.453 3.013 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2n2cccn2)cn1 ZINC000247100350 275784073 /nfs/dbraw/zinc/78/40/73/275784073.db2.gz OOKZJUVZZVLYSY-BHYGNILZSA-N 1 0 301.438 3.495 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3ccc(F)cc31)CC2 ZINC000175010802 276066884 /nfs/dbraw/zinc/06/68/84/276066884.db2.gz UKYOSZOYTIPONQ-GOEBONIOSA-N 1 0 314.408 3.133 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000174179238 276120176 /nfs/dbraw/zinc/12/01/76/276120176.db2.gz QDBBLHVWFVNIAW-MSOLQXFVSA-N 1 0 314.473 3.439 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000452320588 276153507 /nfs/dbraw/zinc/15/35/07/276153507.db2.gz VLWRZYISVQUOLH-MRXNPFEDSA-N 1 0 324.827 3.238 10 0 DGAERO CC1(C)OCc2cc(CN3CC[N@@H+]4CCCC[C@H]4C3)ccc2O1 ZINC000249043062 276157065 /nfs/dbraw/zinc/15/70/65/276157065.db2.gz VLNHFBDUFMUZAT-KRWDZBQOSA-N 1 0 316.445 3.002 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000245471399 276170347 /nfs/dbraw/zinc/17/03/47/276170347.db2.gz NWUHUCKZWFVMCB-ZIAGYGMSSA-N 1 0 323.868 3.083 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000121772134 276181240 /nfs/dbraw/zinc/18/12/40/276181240.db2.gz MXTKVCOIBJANKB-HNNXBMFYSA-N 1 0 313.445 3.341 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2c(s1)CCCC2 ZINC000177008576 276181566 /nfs/dbraw/zinc/18/15/66/276181566.db2.gz ITHHHLMJZABDOW-AWEZNQCLSA-N 1 0 306.475 3.183 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000187177690 276181586 /nfs/dbraw/zinc/18/15/86/276181586.db2.gz PLKFANCYPUXFEB-XHSDSOJGSA-N 1 0 302.466 3.298 10 0 DGAERO CCCCS[C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000057441500 276239183 /nfs/dbraw/zinc/23/91/83/276239183.db2.gz VJYAONKRWVWYSF-GDBMZVCRSA-N 1 0 308.491 3.327 10 0 DGAERO CCC[N@@H+](Cc1cnc2ccc(C)cn12)C[C@H]1CCCCO1 ZINC000093132547 276256434 /nfs/dbraw/zinc/25/64/34/276256434.db2.gz REEWWHJTIFYDBM-QGZVFWFLSA-N 1 0 301.434 3.424 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C12CCOCC2 ZINC000186219329 276346900 /nfs/dbraw/zinc/34/69/00/276346900.db2.gz HXKAZJDTTRILIL-KZNAEPCWSA-N 1 0 301.430 3.238 10 0 DGAERO CC(=O)c1nc(NC[C@H]2CC[N@@H+]2C2CCCCC2)sc1C ZINC000528119952 429850247 /nfs/dbraw/zinc/85/02/47/429850247.db2.gz YENZIDNBXOFBAF-CQSZACIVSA-N 1 0 307.463 3.473 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)C1CCCCC1 ZINC000178196696 276588960 /nfs/dbraw/zinc/58/89/60/276588960.db2.gz CYPLVYVUVONCHA-SJORKVTESA-N 1 0 302.466 3.394 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000180612434 276695002 /nfs/dbraw/zinc/69/50/02/276695002.db2.gz POMYAPNIQBKHBG-DZGCQCFKSA-N 1 0 316.836 3.086 10 0 DGAERO CC(=O)Nc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000136700923 277076085 /nfs/dbraw/zinc/07/60/85/277076085.db2.gz DBZQKQXBPBWVND-KRWDZBQOSA-N 1 0 302.418 3.226 10 0 DGAERO Cn1c2ccccc2nc1N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000192765857 277173602 /nfs/dbraw/zinc/17/36/02/277173602.db2.gz OPSGGHRWQKQORK-FUHWJXTLSA-N 1 0 306.413 3.431 10 0 DGAERO C[N@H+]1Cc2c(Cl)nc(Cl)nc2[C@@H](c2ccc(F)cc2)C1 ZINC000091691414 277207702 /nfs/dbraw/zinc/20/77/02/277207702.db2.gz LJSXWMIZZJBENZ-SNVBAGLBSA-N 1 0 312.175 3.500 10 0 DGAERO CC(C)(C)[C@@H]1CCc2nc(NC(=O)C3CC[NH2+]CC3)sc2C1 ZINC000183090021 277238634 /nfs/dbraw/zinc/23/86/34/277238634.db2.gz PISOYWLULLDOPT-GFCCVEGCSA-N 1 0 321.490 3.232 10 0 DGAERO C[NH2+]CCC1CCN(c2nc(C)nc3sc(C)c(C)c32)CC1 ZINC000262584706 277266180 /nfs/dbraw/zinc/26/61/80/277266180.db2.gz ZOWUFJBNAAALHS-UHFFFAOYSA-N 1 0 318.490 3.442 10 0 DGAERO CC(C)(CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1ccccc1 ZINC000186557663 277294746 /nfs/dbraw/zinc/29/47/46/277294746.db2.gz GPFRCMSTQMBWKK-INIZCTEOSA-N 1 0 300.446 3.097 10 0 DGAERO CC[NH+]1CCC(CCNc2nc(C)cc(C(F)(F)F)n2)CC1 ZINC000543435563 430247194 /nfs/dbraw/zinc/24/71/94/430247194.db2.gz JLZQQPZSDDQDEK-UHFFFAOYSA-N 1 0 316.371 3.338 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000179587725 277500141 /nfs/dbraw/zinc/50/01/41/277500141.db2.gz MDACWCLYOOTYGP-XGWLTEMNSA-N 1 0 324.852 3.017 10 0 DGAERO COC[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)C1CCOCC1 ZINC000188152010 277571197 /nfs/dbraw/zinc/57/11/97/277571197.db2.gz XBTNWLRPPOMXQM-DLBZAZTESA-N 1 0 319.445 3.320 10 0 DGAERO CC(C)[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(F)c(F)c1 ZINC000182107253 277917561 /nfs/dbraw/zinc/91/75/61/277917561.db2.gz LJLDRHXFBMJJEM-GJZGRUSLSA-N 1 0 301.402 3.120 10 0 DGAERO COc1ccccc1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094365179 278050123 /nfs/dbraw/zinc/05/01/23/278050123.db2.gz XRNCMKHLKXRHNX-HNNXBMFYSA-N 1 0 307.459 3.230 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116529820 278185801 /nfs/dbraw/zinc/18/58/01/278185801.db2.gz KGXSQYVAUJFAEF-CABCVRRESA-N 1 0 305.422 3.001 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)[C@H]1CCCO1 ZINC000245937760 278365896 /nfs/dbraw/zinc/36/58/96/278365896.db2.gz AFXDXNLDLKVQAW-JRPNMDOOSA-N 1 0 307.825 3.445 10 0 DGAERO CC(C)(C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21)C(N)=O ZINC000183199855 278622229 /nfs/dbraw/zinc/62/22/29/278622229.db2.gz TWFQTRBTTDNFJW-HNNXBMFYSA-N 1 0 316.445 3.314 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000174788584 278673505 /nfs/dbraw/zinc/67/35/05/278673505.db2.gz NYVPKLBDXROAFC-WMZOPIPTSA-N 1 0 313.445 3.020 10 0 DGAERO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc2c(c1)CCO2 ZINC000248003088 288074748 /nfs/dbraw/zinc/07/47/48/288074748.db2.gz KOZZEJFWMHFKMB-CYGHRXIMSA-N 1 0 301.430 3.476 10 0 DGAERO CC(C)(C)c1ncc(C(=O)N2CCC([NH+]3CCCC3)CC2)s1 ZINC000068365335 431126602 /nfs/dbraw/zinc/12/66/02/431126602.db2.gz ASWPCJZNXAXPAP-UHFFFAOYSA-N 1 0 321.490 3.141 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000245919173 279267418 /nfs/dbraw/zinc/26/74/18/279267418.db2.gz SOBJADMWPCDVFU-JHJVBQTASA-N 1 0 306.372 3.098 10 0 DGAERO C[C@H](CC[NH2+][C@H]1CCSc2c(F)cccc21)[S@](C)=O ZINC000163531692 279267985 /nfs/dbraw/zinc/26/79/85/279267985.db2.gz LHERANMJIHRIOW-KPGGICDASA-N 1 0 301.452 3.109 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC[C@H](CC[NH3+])C3)c2c1C ZINC000261723310 279285758 /nfs/dbraw/zinc/28/57/58/279285758.db2.gz QJEXFGLNARCNFU-CYBMUJFWSA-N 1 0 304.463 3.182 10 0 DGAERO Cn1cc([C@H]2CCCN2Cc2ncc(-c3cccs3)o2)cn1 ZINC000109132384 431171974 /nfs/dbraw/zinc/17/19/74/431171974.db2.gz VGRUXTUTKGPEEH-CYBMUJFWSA-N 1 0 314.414 3.474 10 0 DGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C(C)C ZINC000110084577 431184578 /nfs/dbraw/zinc/18/45/78/431184578.db2.gz YCFMBBFGMVDBCJ-HNNXBMFYSA-N 1 0 319.449 3.042 10 0 DGAERO CCOc1cccc([C@H](C)NC(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000068886741 431150723 /nfs/dbraw/zinc/15/07/23/431150723.db2.gz KPQZOQPGQLMJBW-GJZGRUSLSA-N 1 0 321.465 3.176 10 0 DGAERO CC[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246025972 288134194 /nfs/dbraw/zinc/13/41/94/288134194.db2.gz OUQISQBSEGWFQP-ZOBUZTSGSA-N 1 0 310.482 3.055 10 0 DGAERO C[C@@H]1CCCN(Cc2csc(Br)c2)[C@@H]1C[NH3+] ZINC000069727196 431215263 /nfs/dbraw/zinc/21/52/63/431215263.db2.gz RHDPVUGDMHCRIQ-MWLCHTKSSA-N 1 0 303.269 3.070 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)s1 ZINC000111360042 431215330 /nfs/dbraw/zinc/21/53/30/431215330.db2.gz JCUUONQMHXNOLD-GXFFZTMASA-N 1 0 304.415 3.251 10 0 DGAERO [NH3+]CCc1ccccc1C(=O)N[C@@H]1CCCc2sccc21 ZINC000070552993 431252714 /nfs/dbraw/zinc/25/27/14/431252714.db2.gz RWAMLLSBXMULSA-OAHLLOKOSA-N 1 0 300.427 3.057 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000070573642 431253087 /nfs/dbraw/zinc/25/30/87/431253087.db2.gz JAZBHYDWSDYDKQ-UWVGGRQHSA-N 1 0 302.296 3.041 10 0 DGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1nc2c(s1)CCCC2 ZINC000246460452 279554594 /nfs/dbraw/zinc/55/45/94/279554594.db2.gz PUTJIUGJNWZWMP-XNJJOIOASA-N 1 0 314.454 3.331 10 0 DGAERO CSc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)o1 ZINC000112231172 431255947 /nfs/dbraw/zinc/25/59/47/431255947.db2.gz OQMOQEYFNMYNPP-ZDUSSCGKSA-N 1 0 304.415 3.034 10 0 DGAERO Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000112470310 431279719 /nfs/dbraw/zinc/27/97/19/431279719.db2.gz OYUNRECOMFPUOL-WMZOPIPTSA-N 1 0 317.477 3.428 10 0 DGAERO CC[C@H]([NH2+]Cc1ccnn1C)c1cccc(Br)c1 ZINC000071333499 431280080 /nfs/dbraw/zinc/28/00/80/431280080.db2.gz HDABFXFZOYMBJK-AWEZNQCLSA-N 1 0 308.223 3.424 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc(Cl)c1 ZINC000112549869 431282173 /nfs/dbraw/zinc/28/21/73/431282173.db2.gz ZPSAKKARSLHHND-CZUORRHYSA-N 1 0 316.836 3.450 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC2CCOCC2)c1 ZINC000112696721 431298050 /nfs/dbraw/zinc/29/80/50/431298050.db2.gz RVXUMPMBRPPGMQ-KRWDZBQOSA-N 1 0 305.418 3.267 10 0 DGAERO Cn1ccnc1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000071273229 431275198 /nfs/dbraw/zinc/27/51/98/431275198.db2.gz VWQVCNJKPVJLLN-UHFFFAOYSA-N 1 0 320.234 3.218 10 0 DGAERO COC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000112986297 431319519 /nfs/dbraw/zinc/31/95/19/431319519.db2.gz JRSKPEWWGTXFFF-CYBMUJFWSA-N 1 0 304.365 3.339 10 0 DGAERO CCCCOc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113226702 431333980 /nfs/dbraw/zinc/33/39/80/431333980.db2.gz IZWOCGMSHWZAIR-DOTOQJQBSA-N 1 0 316.445 3.174 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000113233574 431334248 /nfs/dbraw/zinc/33/42/48/431334248.db2.gz VXQLWZDTIRDXOA-IINYFYTJSA-N 1 0 313.228 3.302 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc2ccccc12 ZINC000113224817 431334852 /nfs/dbraw/zinc/33/48/52/431334852.db2.gz DAVSNIUPVJBJHN-QWHCGFSZSA-N 1 0 300.427 3.210 10 0 DGAERO C[C@H]1CCCN(c2ncc(Br)cc2Cl)[C@H]1C[NH3+] ZINC000261540367 279673029 /nfs/dbraw/zinc/67/30/29/279673029.db2.gz GGDNOLDROYSGEV-KWQFWETISA-N 1 0 318.646 3.061 10 0 DGAERO C[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)[C@@H]1C[NH3+] ZINC000070178560 279673077 /nfs/dbraw/zinc/67/30/77/279673077.db2.gz WHAIRQYXUGYGMH-GZMMTYOYSA-N 1 0 307.747 3.317 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(Br)c1 ZINC000113269180 431340166 /nfs/dbraw/zinc/34/01/66/431340166.db2.gz LHWXWQTXAVYMSY-CMPLNLGQSA-N 1 0 315.280 3.179 10 0 DGAERO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1Cl ZINC000113367210 431346515 /nfs/dbraw/zinc/34/65/15/431346515.db2.gz SWSBHFUZWVFAFZ-JSGCOSHPSA-N 1 0 307.825 3.349 10 0 DGAERO CCOc1ccccc1OCC[N@H+](C(C)C)C1CCOCC1 ZINC000072685499 431348620 /nfs/dbraw/zinc/34/86/20/431348620.db2.gz QEYKJNYOLUNUTG-UHFFFAOYSA-N 1 0 307.434 3.354 10 0 DGAERO CCn1c2ccc(F)cc2nc1CN1CC[C@H]([NH+](CC)CC)C1 ZINC000072834660 431350389 /nfs/dbraw/zinc/35/03/89/431350389.db2.gz WJKHUKICOXZEKC-HNNXBMFYSA-N 1 0 318.440 3.111 10 0 DGAERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000072897181 431355870 /nfs/dbraw/zinc/35/58/70/431355870.db2.gz INCVGQVARCEOJQ-STQMWFEESA-N 1 0 317.458 3.380 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000072973286 431358204 /nfs/dbraw/zinc/35/82/04/431358204.db2.gz DBMDNFWWLGGZHP-OAGGEKHMSA-N 1 0 318.461 3.096 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000007816523 431363947 /nfs/dbraw/zinc/36/39/47/431363947.db2.gz YXMPIIDQLBZAAF-IBGZPJMESA-N 1 0 321.424 3.130 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000007816463 431365686 /nfs/dbraw/zinc/36/56/86/431365686.db2.gz VXIQYNSUCDXIIC-LJQANCHMSA-N 1 0 319.408 3.268 10 0 DGAERO Cc1cccc([C@H](C[NH3+])S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000008031174 431376819 /nfs/dbraw/zinc/37/68/19/431376819.db2.gz YXMWKDMYERTCPN-HNNXBMFYSA-N 1 0 309.818 3.122 10 0 DGAERO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nc2cc(F)ccc2n1CC ZINC000114459824 431391393 /nfs/dbraw/zinc/39/13/93/431391393.db2.gz UMLQAXBJNLEJOS-SJORKVTESA-N 1 0 319.424 3.321 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccc(F)cc1 ZINC000114482766 431391659 /nfs/dbraw/zinc/39/16/59/431391659.db2.gz DOCWOVULHUVBMN-MRXNPFEDSA-N 1 0 316.380 3.105 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000073953041 431392536 /nfs/dbraw/zinc/39/25/36/431392536.db2.gz PHIKNNBCGZLNMV-SJORKVTESA-N 1 0 307.482 3.083 10 0 DGAERO O=c1[nH]c(CC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)nc2ccccc21 ZINC000114494906 431394501 /nfs/dbraw/zinc/39/45/01/431394501.db2.gz LUKYTVYKZZCEJP-FQEVSTJZSA-N 1 0 323.440 3.288 10 0 DGAERO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000176977102 288163237 /nfs/dbraw/zinc/16/32/37/288163237.db2.gz BXBDEWFYAZNPQB-NXHRZFHOSA-N 1 0 323.502 3.325 10 0 DGAERO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC000246419553 288163313 /nfs/dbraw/zinc/16/33/13/288163313.db2.gz BXBDEWFYAZNPQB-JQHSSLGASA-N 1 0 323.502 3.325 10 0 DGAERO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114564070 431397418 /nfs/dbraw/zinc/39/74/18/431397418.db2.gz LHEQDTNLVHIHRK-GOSISDBHSA-N 1 0 302.418 3.060 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C=C/c2ccccc2)C[C@H]1CC ZINC000114719737 431405901 /nfs/dbraw/zinc/40/59/01/431405901.db2.gz YRUQDSZAEQIHIS-UFUQCMIWSA-N 1 0 302.462 3.133 10 0 DGAERO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000114717969 431406262 /nfs/dbraw/zinc/40/62/62/431406262.db2.gz PDNHXGNJYZFTAN-CQSZACIVSA-N 1 0 304.825 3.068 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000010018663 431452364 /nfs/dbraw/zinc/45/23/64/431452364.db2.gz XWBJSVSKCPCYMJ-MRXNPFEDSA-N 1 0 307.413 3.060 10 0 DGAERO CCC[NH2+]Cc1cc(Br)cc(OC)c1OCC ZINC000010474771 431464516 /nfs/dbraw/zinc/46/45/16/431464516.db2.gz UZUHYPAQDNCNMG-UHFFFAOYSA-N 1 0 302.212 3.356 10 0 DGAERO Cc1ccccc1[C@@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000116006099 431481308 /nfs/dbraw/zinc/48/13/08/431481308.db2.gz ARYIMGLSEXLPSI-DLBZAZTESA-N 1 0 300.446 3.185 10 0 DGAERO C[C@@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000115844656 431475615 /nfs/dbraw/zinc/47/56/15/431475615.db2.gz ULLLCIOAVMXXRP-CQSZACIVSA-N 1 0 321.440 3.219 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nc(CC)nc32)C12CCCC2 ZINC000245853319 279881480 /nfs/dbraw/zinc/88/14/80/279881480.db2.gz GQJVHDBIHRQMSR-SOUVJXGZSA-N 1 0 318.465 3.003 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116529814 431518177 /nfs/dbraw/zinc/51/81/77/431518177.db2.gz KGXSQYVAUJFAEF-HUUCEWRRSA-N 1 0 305.422 3.001 10 0 DGAERO C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1cccc(F)c1 ZINC000116201900 431495140 /nfs/dbraw/zinc/49/51/40/431495140.db2.gz WZXSLKRTVPVBQN-CKEIUWERSA-N 1 0 304.409 3.014 10 0 DGAERO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261831570 279931237 /nfs/dbraw/zinc/93/12/37/279931237.db2.gz PZUJXEIADGGDEU-KCXAZCMYSA-N 1 0 324.852 3.002 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3ccccc3C(F)(F)F)C2)cn1 ZINC000116322143 431502585 /nfs/dbraw/zinc/50/25/85/431502585.db2.gz AAQCBRBZFHDOOA-LBPRGKRZSA-N 1 0 309.335 3.428 10 0 DGAERO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000075885836 431504965 /nfs/dbraw/zinc/50/49/65/431504965.db2.gz SBLTXOOGUHTZSL-KRWDZBQOSA-N 1 0 312.461 3.454 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3csc(-c4ccoc4)n3)C2)cn1 ZINC000116318876 431504984 /nfs/dbraw/zinc/50/49/84/431504984.db2.gz BVFHMMUNBWJDID-GFCCVEGCSA-N 1 0 314.414 3.126 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)C2)cn1 ZINC000116318481 431505420 /nfs/dbraw/zinc/50/54/20/431505420.db2.gz MESSROBTRVLZOU-GFCCVEGCSA-N 1 0 314.414 3.126 10 0 DGAERO CC1(C)CC(NC(=O)N2CCC[C@H]2c2ccco2)CC(C)(C)[NH2+]1 ZINC000116416161 431508844 /nfs/dbraw/zinc/50/88/44/431508844.db2.gz KMAYLORUQOSMKZ-AWEZNQCLSA-N 1 0 319.449 3.435 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000075964693 431508861 /nfs/dbraw/zinc/50/88/61/431508861.db2.gz AQUXNMQALGZLEZ-OAHLLOKOSA-N 1 0 306.475 3.015 10 0 DGAERO CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116423481 431509220 /nfs/dbraw/zinc/50/92/20/431509220.db2.gz SIXCRUYQDVHODS-HNNXBMFYSA-N 1 0 319.449 3.389 10 0 DGAERO COc1cc2c(cc1OC)CC([NH+](CCCF)CCCF)C2 ZINC000013471393 431557266 /nfs/dbraw/zinc/55/72/66/431557266.db2.gz MWPQYBAIUQOLAF-UHFFFAOYSA-N 1 0 313.388 3.192 10 0 DGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000129842116 279980127 /nfs/dbraw/zinc/98/01/27/279980127.db2.gz SQKKEMNNTVWPBJ-RCOVLWMOSA-N 1 0 320.028 3.105 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3ccc(C(N)=O)cc3)C2)cc1 ZINC000076391009 431545439 /nfs/dbraw/zinc/54/54/39/431545439.db2.gz MFPCOJUHUKQAQP-RDTXWAMCSA-N 1 0 324.424 3.172 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc3ccccc32)[C@H](C)C1 ZINC000076478885 431553954 /nfs/dbraw/zinc/55/39/54/431553954.db2.gz OJSXNLBVFCMFEG-RDTXWAMCSA-N 1 0 311.429 3.037 10 0 DGAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000262024256 280165870 /nfs/dbraw/zinc/16/58/70/280165870.db2.gz AUJVAUQKPDSJPD-BZNIZROVSA-N 1 0 316.430 3.051 10 0 DGAERO C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000117604139 431570252 /nfs/dbraw/zinc/57/02/52/431570252.db2.gz SKKQSMHSBZGOHS-SCLBCKFNSA-N 1 0 310.397 3.251 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000077204592 431573114 /nfs/dbraw/zinc/57/31/14/431573114.db2.gz SMRHPQGKCAPRGA-BXUZGUMPSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000118422382 431603095 /nfs/dbraw/zinc/60/30/95/431603095.db2.gz USWLRYBNDCPRJG-RHSMWYFYSA-N 1 0 306.475 3.080 10 0 DGAERO CC(C)C[C@H](CNC(=O)C[C@@H]1CCOc2ccccc21)[NH+](C)C ZINC000117802497 431579565 /nfs/dbraw/zinc/57/95/65/431579565.db2.gz BMBFRIJXQDQQIB-JKSUJKDBSA-N 1 0 318.461 3.035 10 0 DGAERO CC(C)COC1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000077397455 431589573 /nfs/dbraw/zinc/58/95/73/431589573.db2.gz BCAKZILMDDYYSP-UHFFFAOYSA-N 1 0 322.493 3.057 10 0 DGAERO CCCC(O)(CCC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000119155251 431653175 /nfs/dbraw/zinc/65/31/75/431653175.db2.gz VIRRYKZZCDCZLH-SJORKVTESA-N 1 0 324.509 3.182 10 0 DGAERO C[C@@H]1SCC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H]1c1ccccc1 ZINC000118534732 431607459 /nfs/dbraw/zinc/60/74/59/431607459.db2.gz TZCKSLHRJNXOIG-XIRDDKMYSA-N 1 0 323.502 3.341 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)Nc1ncc(C(C)=O)s1 ZINC000118684881 431613944 /nfs/dbraw/zinc/61/39/44/431613944.db2.gz FNKSUYCXAYNHRA-UHFFFAOYSA-N 1 0 311.451 3.186 10 0 DGAERO CCC[C@H](C(=O)NCc1cccc(OCC(C)C)c1)[NH+](C)C ZINC000119085340 431645709 /nfs/dbraw/zinc/64/57/09/431645709.db2.gz NCFOVPXTEDOOIP-QGZVFWFLSA-N 1 0 306.450 3.068 10 0 DGAERO CCCOc1ccc(Br)cc1C[NH2+]CC[C@@H](C)O ZINC000078781087 431707430 /nfs/dbraw/zinc/70/74/30/431707430.db2.gz JMHUJAXELWWXEF-LLVKDONJSA-N 1 0 316.239 3.098 10 0 DGAERO CC[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000123022788 280663494 /nfs/dbraw/zinc/66/34/94/280663494.db2.gz LBRQANMGJBWEOI-SFHVURJKSA-N 1 0 318.436 3.406 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)C/C=C/c1ccc(F)cc1 ZINC000081539020 431790340 /nfs/dbraw/zinc/79/03/40/431790340.db2.gz QQWFOVGWBFDNQU-NFAHFFEMSA-N 1 0 304.409 3.220 10 0 DGAERO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000081598300 431794141 /nfs/dbraw/zinc/79/41/41/431794141.db2.gz PWULFJHUVYPNJK-LBPRGKRZSA-N 1 0 314.414 3.256 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000121548273 431801918 /nfs/dbraw/zinc/80/19/18/431801918.db2.gz HPJKWWMKSADEPC-UONOGXRCSA-N 1 0 318.442 3.054 10 0 DGAERO CC1(C)CN(Cc2ccn(-c3ccc(F)cc3)n2)CCS1 ZINC000083418433 431808890 /nfs/dbraw/zinc/80/88/90/431808890.db2.gz MAPHMZFNAQFSHO-UHFFFAOYSA-N 1 0 305.422 3.339 10 0 DGAERO CO[C@@H]1CCC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084074666 431813841 /nfs/dbraw/zinc/81/38/41/431813841.db2.gz LYNPKNZZUWUZIH-CQSZACIVSA-N 1 0 308.447 3.071 10 0 DGAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000031934802 431768052 /nfs/dbraw/zinc/76/80/52/431768052.db2.gz JKFAVTDCTAUGJN-CMPLNLGQSA-N 1 0 317.458 3.142 10 0 DGAERO O[C@]1(C(F)(F)F)CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000081085131 431781593 /nfs/dbraw/zinc/78/15/93/431781593.db2.gz NBNVIJOWMJRUPU-CYBMUJFWSA-N 1 0 323.742 3.108 10 0 DGAERO CCc1ccccc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000121425471 431784413 /nfs/dbraw/zinc/78/44/13/431784413.db2.gz YWCRVLGDTWAVBO-UHFFFAOYSA-N 1 0 314.404 3.380 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CCN1C ZINC000123734493 431873105 /nfs/dbraw/zinc/87/31/05/431873105.db2.gz OPKGISLLWUMYEM-CZUORRHYSA-N 1 0 323.868 3.083 10 0 DGAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000036959735 431843039 /nfs/dbraw/zinc/84/30/39/431843039.db2.gz OXZQJSMHOJOTEY-GHMZBOCLSA-N 1 0 313.239 3.014 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000122820589 431845614 /nfs/dbraw/zinc/84/56/14/431845614.db2.gz XYCAIWKAKLAVLI-INIZCTEOSA-N 1 0 315.465 3.326 10 0 DGAERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCc1ccsc1 ZINC000122952088 431849878 /nfs/dbraw/zinc/84/98/78/431849878.db2.gz PKRCKWFBYCEHRA-LLVKDONJSA-N 1 0 323.849 3.346 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)CC/C=C/c2ccccc2)CC[N@@H+]1C ZINC000122951911 431849989 /nfs/dbraw/zinc/84/99/89/431849989.db2.gz ORZALDDEQHNVRV-RUZKMCDWSA-N 1 0 300.446 3.421 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cnc3ccc(C)cn23)C1 ZINC000122963112 431850551 /nfs/dbraw/zinc/85/05/51/431850551.db2.gz LERANWIYUZWXOO-MRXNPFEDSA-N 1 0 323.444 3.239 10 0 DGAERO Brc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916189 431851160 /nfs/dbraw/zinc/85/11/60/431851160.db2.gz YOTKABGRFFDVLT-ZBFHGGJFSA-N 1 0 323.278 3.413 10 0 DGAERO O=C(c1c(F)cccc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917316 431851240 /nfs/dbraw/zinc/85/12/40/431851240.db2.gz OJVDKKFEMNXBAU-RISCZKNCSA-N 1 0 310.800 3.083 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2nc3cc(Cl)ccc3n2C)CC[N@@H+]1C ZINC000123100529 431855138 /nfs/dbraw/zinc/85/51/38/431855138.db2.gz ZFXYTRUVXBFDNC-JSGCOSHPSA-N 1 0 320.868 3.141 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Cl)o1 ZINC000038097599 431855255 /nfs/dbraw/zinc/85/52/55/431855255.db2.gz MGLFXIUPBGHFDK-OLZOCXBDSA-N 1 0 309.793 3.332 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000088785742 431859382 /nfs/dbraw/zinc/85/93/82/431859382.db2.gz JQIFQLDIOZRESC-ZQIUZPCESA-N 1 0 321.440 3.177 10 0 DGAERO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000123252963 431859674 /nfs/dbraw/zinc/85/96/74/431859674.db2.gz FFKYPEQWCLGJAK-SNVBAGLBSA-N 1 0 319.373 3.120 10 0 DGAERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cc(F)cc(F)c1 ZINC000089641483 431873622 /nfs/dbraw/zinc/87/36/22/431873622.db2.gz XDVUUBVUZOSBDW-LLVKDONJSA-N 1 0 324.396 3.497 10 0 DGAERO Cc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000123278659 431861028 /nfs/dbraw/zinc/86/10/28/431861028.db2.gz HWQHOLFAPXEKBC-KGLIPLIRSA-N 1 0 323.868 3.001 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000089165110 431861416 /nfs/dbraw/zinc/86/14/16/431861416.db2.gz QAKVIQITAWAQNK-XCAIRMDXSA-N 1 0 324.262 3.446 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C)cc2SC)C1 ZINC000123361680 431862473 /nfs/dbraw/zinc/86/24/73/431862473.db2.gz DGJILUULTZMPKR-HNNXBMFYSA-N 1 0 321.490 3.000 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123414578 431864324 /nfs/dbraw/zinc/86/43/24/431864324.db2.gz RTEIQUOCISPGRT-JQWIXIFHSA-N 1 0 317.296 3.425 10 0 DGAERO C[N@@H+]1CCC[C@H]1CCN1C[C@H](c2ccccc2)OCC1(C)C ZINC000089427196 431865493 /nfs/dbraw/zinc/86/54/93/431865493.db2.gz NZPNIQMEYDJUOH-ZWKOTPCHSA-N 1 0 302.462 3.323 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccc(F)cc2)CC[N@@H+]1C ZINC000123474216 431866029 /nfs/dbraw/zinc/86/60/29/431866029.db2.gz JHHXGIMJAKLZFN-CJNGLKHVSA-N 1 0 306.425 3.044 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)N1CCOCC1 ZINC000123525629 431867405 /nfs/dbraw/zinc/86/74/05/431867405.db2.gz ZZAXUPDIVKXNRJ-HOTGVXAUSA-N 1 0 314.429 3.318 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123615280 431870042 /nfs/dbraw/zinc/87/00/42/431870042.db2.gz MWNCKIHWTKJYHF-CJNGLKHVSA-N 1 0 308.853 3.214 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)c1scnc1C1CC1)c1ccccc1 ZINC000089590142 431871276 /nfs/dbraw/zinc/87/12/76/431871276.db2.gz SAZDARXJLFRPHJ-CQSZACIVSA-N 1 0 315.442 3.053 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)CCCO2 ZINC000122253535 431822925 /nfs/dbraw/zinc/82/29/25/431822925.db2.gz NBWLFVCAYXWFNT-KRWDZBQOSA-N 1 0 310.397 3.097 10 0 DGAERO CC1(C)CCC(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000122314222 431826450 /nfs/dbraw/zinc/82/64/50/431826450.db2.gz PVTHWJXFKGTNPQ-MRXNPFEDSA-N 1 0 302.466 3.251 10 0 DGAERO Cc1cccc(C[N@H+](C[C@H](O)COCc2ccco2)C2CC2)c1 ZINC000036098803 431835320 /nfs/dbraw/zinc/83/53/20/431835320.db2.gz DXXHRTGACAAYON-SFHVURJKSA-N 1 0 315.413 3.130 10 0 DGAERO C/C(=C/c1ccccc1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000093011833 431913220 /nfs/dbraw/zinc/91/32/20/431913220.db2.gz FXAHLQBSOXTZEC-XLEPWJDSSA-N 1 0 314.473 3.277 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093982470 431919013 /nfs/dbraw/zinc/91/90/13/431919013.db2.gz KJPPJFLMVYBZOQ-BXUZGUMPSA-N 1 0 316.214 3.229 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000089640506 431874101 /nfs/dbraw/zinc/87/41/01/431874101.db2.gz FKHZJASLXNIJQJ-CYBMUJFWSA-N 1 0 318.442 3.227 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCn2cc(C)cn2)ccc1SC ZINC000123856491 431875946 /nfs/dbraw/zinc/87/59/46/431875946.db2.gz OGPWVEHETAXXPT-CYBMUJFWSA-N 1 0 305.447 3.273 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089733019 431876241 /nfs/dbraw/zinc/87/62/41/431876241.db2.gz FYCNNAONHUCOBT-MAUKXSAKSA-N 1 0 310.445 3.359 10 0 DGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2scnc2C2CC2)C1 ZINC000089775415 431878234 /nfs/dbraw/zinc/87/82/34/431878234.db2.gz WBPJBRGALZSUAL-GFCCVEGCSA-N 1 0 321.490 3.261 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCC2CC2)CC[N@@H+]1C ZINC000124054099 431881976 /nfs/dbraw/zinc/88/19/76/431881976.db2.gz MBACGKICLGODAR-GDBMZVCRSA-N 1 0 316.445 3.030 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(OCC3CC3)cc2)CC[N@@H+]1C ZINC000124075900 431882179 /nfs/dbraw/zinc/88/21/79/431882179.db2.gz CMXCGTOVASGOLE-RHSMWYFYSA-N 1 0 316.445 3.030 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)c(F)c1 ZINC000124166101 431885093 /nfs/dbraw/zinc/88/50/93/431885093.db2.gz OZINKMDXEBLSSR-NSHDSACASA-N 1 0 305.397 3.078 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000124188330 431885483 /nfs/dbraw/zinc/88/54/83/431885483.db2.gz XMVTUSFVBSCJMU-MRXNPFEDSA-N 1 0 301.434 3.476 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000124221175 431886010 /nfs/dbraw/zinc/88/60/10/431886010.db2.gz CGRQLVOQHMGIGL-KHDYIWLOSA-N 1 0 313.397 3.013 10 0 DGAERO Cc1cccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000045700747 431888368 /nfs/dbraw/zinc/88/83/68/431888368.db2.gz FPWGXYUYFCEAHI-UHFFFAOYSA-N 1 0 315.461 3.012 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027193 431889705 /nfs/dbraw/zinc/88/97/05/431889705.db2.gz JKMTYSVGWWDFDK-HNNXBMFYSA-N 1 0 318.461 3.355 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000090251217 431891262 /nfs/dbraw/zinc/89/12/62/431891262.db2.gz IJARNAGTGLBHGA-QWHCGFSZSA-N 1 0 318.642 3.496 10 0 DGAERO CCc1oc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1C ZINC000124352749 431891579 /nfs/dbraw/zinc/89/15/79/431891579.db2.gz PMYWKKRCCJWITA-UHFFFAOYSA-N 1 0 306.450 3.392 10 0 DGAERO CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000090801033 431894811 /nfs/dbraw/zinc/89/48/11/431894811.db2.gz QNSHTDIJSJHYJN-CYBMUJFWSA-N 1 0 322.449 3.103 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000124516113 431895971 /nfs/dbraw/zinc/89/59/71/431895971.db2.gz JZNISBORSLVAFR-NWDGAFQWSA-N 1 0 314.351 3.260 10 0 DGAERO Cc1ccc([C@@H]2CCCCN2CC(=O)Nc2nccs2)o1 ZINC000124646598 431899526 /nfs/dbraw/zinc/89/95/26/431899526.db2.gz OIPVNLFQCFSSOJ-LBPRGKRZSA-N 1 0 305.403 3.210 10 0 DGAERO Cn1ccnc1CC1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000124630398 431899635 /nfs/dbraw/zinc/89/96/35/431899635.db2.gz NLJVCTNPTGRANX-UHFFFAOYSA-N 1 0 320.440 3.423 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCc3ccc(C)cc3)C2)n1 ZINC000124633167 431899795 /nfs/dbraw/zinc/89/97/95/431899795.db2.gz HQQMQTZFOXURCN-LJQANCHMSA-N 1 0 312.461 3.158 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000124763184 431903361 /nfs/dbraw/zinc/90/33/61/431903361.db2.gz MFQFJWWXMVLFID-KDOFPFPSSA-N 1 0 300.446 3.120 10 0 DGAERO C[C@H]([NH2+]CCCC1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091284860 431903568 /nfs/dbraw/zinc/90/35/68/431903568.db2.gz IAOXOYOBJBEAHJ-AWEZNQCLSA-N 1 0 324.490 3.345 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000091318844 431903685 /nfs/dbraw/zinc/90/36/85/431903685.db2.gz KURRMWVSXWVQPC-HKUYNNGSSA-N 1 0 320.477 3.093 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3ccccc3c2O)CC[N@@H+]1C ZINC000124747717 431903674 /nfs/dbraw/zinc/90/36/74/431903674.db2.gz RAWDXUJWJCSLOY-HIFRSBDPSA-N 1 0 312.413 3.100 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000124750621 431903785 /nfs/dbraw/zinc/90/37/85/431903785.db2.gz XTWWISLCXJKDGF-GXTWGEPZSA-N 1 0 310.388 3.407 10 0 DGAERO c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCSCC1 ZINC000091701581 431904840 /nfs/dbraw/zinc/90/48/40/431904840.db2.gz VBUOJVNCGQAGKK-KRWDZBQOSA-N 1 0 307.459 3.183 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cccc3F)[nH]2)[C@H](C)C1 ZINC000127393939 431970668 /nfs/dbraw/zinc/97/06/68/431970668.db2.gz MVXFEKKTNDRBFZ-SJKOYZFVSA-N 1 0 317.408 3.109 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)CCCO2 ZINC000127408135 431971819 /nfs/dbraw/zinc/97/18/19/431971819.db2.gz LGWOWNSRTCBDEG-YCRPNKLZSA-N 1 0 309.475 3.346 10 0 DGAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(Br)cc1F ZINC000097817719 431975244 /nfs/dbraw/zinc/97/52/44/431975244.db2.gz COXJUZBKNNRFOS-SNVBAGLBSA-N 1 0 316.214 3.401 10 0 DGAERO Cn1ncc2c1CCC[C@H]2[NH2+]CCCCOCc1ccccc1 ZINC000127530195 431975214 /nfs/dbraw/zinc/97/52/14/431975214.db2.gz VHSZBODRJJMQBH-GOSISDBHSA-N 1 0 313.445 3.384 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)n1 ZINC000127697310 431978555 /nfs/dbraw/zinc/97/85/55/431978555.db2.gz OSFQBQLFDUBWCX-ZDUSSCGKSA-N 1 0 321.490 3.067 10 0 DGAERO O[C@H](CSCc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000098143905 431979268 /nfs/dbraw/zinc/97/92/68/431979268.db2.gz YLLFYBJSBFRTCX-IBGZPJMESA-N 1 0 313.466 3.339 10 0 DGAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000098123312 431979338 /nfs/dbraw/zinc/97/93/38/431979338.db2.gz ZAFXFSIVVGTDAL-QWRGUYRKSA-N 1 0 300.805 3.435 10 0 DGAERO Cn1ccnc1CSc1nnc(Nc2ccccc2)s1 ZINC000048872699 431934113 /nfs/dbraw/zinc/93/41/13/431934113.db2.gz IIZJXYRZCCUZKE-UHFFFAOYSA-N 1 0 303.416 3.308 10 0 DGAERO O=C(c1cc(Cl)ccc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073702 431936356 /nfs/dbraw/zinc/93/63/56/431936356.db2.gz RVNZIEADPUAJEQ-UHFFFAOYSA-N 1 0 324.827 3.427 10 0 DGAERO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000126017734 431940653 /nfs/dbraw/zinc/94/06/53/431940653.db2.gz KSJYAVAADMFATI-INIZCTEOSA-N 1 0 302.418 3.349 10 0 DGAERO O=C(NCc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000050275505 431947669 /nfs/dbraw/zinc/94/76/69/431947669.db2.gz VHTZVHWELBLXNE-UHFFFAOYSA-N 1 0 322.452 3.258 10 0 DGAERO CC(C)CO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(C)C ZINC000126420744 431949499 /nfs/dbraw/zinc/94/94/99/431949499.db2.gz FILXHLLCFVHDJQ-SJORKVTESA-N 1 0 324.509 3.063 10 0 DGAERO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000126494261 431951177 /nfs/dbraw/zinc/95/11/77/431951177.db2.gz HQOPUKFEFBIIIG-CHWSQXEVSA-N 1 0 321.852 3.185 10 0 DGAERO Clc1ccccc1OCCN1CCC([NH+]2CCCC2)CC1 ZINC000051951939 431953287 /nfs/dbraw/zinc/95/32/87/431953287.db2.gz CWKFAOTZNCNYAY-UHFFFAOYSA-N 1 0 308.853 3.279 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NCc1cn2cc(Cl)ccc2n1 ZINC000096543933 431955594 /nfs/dbraw/zinc/95/55/94/431955594.db2.gz IQQUEGQVGNKGBU-AWEZNQCLSA-N 1 0 308.857 3.054 10 0 DGAERO CCN(Cc1ccccc1Cl)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000052593806 431956251 /nfs/dbraw/zinc/95/62/51/431956251.db2.gz FUUVSGOQKXDLLK-HNNXBMFYSA-N 1 0 323.868 3.356 10 0 DGAERO CCc1noc(C)c1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000127033350 431963192 /nfs/dbraw/zinc/96/31/92/431963192.db2.gz ZHGPWTXKJIHPMW-CYBMUJFWSA-N 1 0 305.422 3.139 10 0 DGAERO C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1cccs1 ZINC000053561363 431963764 /nfs/dbraw/zinc/96/37/64/431963764.db2.gz NQMCCTLQHWKAKV-CQSZACIVSA-N 1 0 309.479 3.230 10 0 DGAERO Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)c2cc(F)ccc2[nH+]1 ZINC000127084311 431963922 /nfs/dbraw/zinc/96/39/22/431963922.db2.gz ZHEUNJXBKBKDKR-CQSZACIVSA-N 1 0 314.282 3.186 10 0 DGAERO C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCCC[C@@H]1O ZINC000053885838 431965620 /nfs/dbraw/zinc/96/56/20/431965620.db2.gz NXMAUXABVGLRNF-GWCFXTLKSA-N 1 0 318.280 3.494 10 0 DGAERO C[C@H](NC(=O)C[N@H+](C)CCc1ccc(F)cc1)c1cccs1 ZINC000097268589 431966640 /nfs/dbraw/zinc/96/66/40/431966640.db2.gz JTIZZBTWBBBBIT-ZDUSSCGKSA-N 1 0 320.433 3.239 10 0 DGAERO Cc1cccc(C[NH+]2CCC(Nc3nc(C)cc(C)n3)CC2)c1 ZINC000097476295 431969337 /nfs/dbraw/zinc/96/93/37/431969337.db2.gz GEQRILWLKZLHRS-UHFFFAOYSA-N 1 0 310.445 3.478 10 0 DGAERO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000054305583 431969683 /nfs/dbraw/zinc/96/96/83/431969683.db2.gz VWENFROVTNIAFK-NSHDSACASA-N 1 0 311.223 3.086 10 0 DGAERO C[C@H](c1nccs1)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100248391 431981444 /nfs/dbraw/zinc/98/14/44/431981444.db2.gz RJUGZSFBMFTXPI-NEPJUHHUSA-N 1 0 311.451 3.051 10 0 DGAERO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nnnn1C(C)C ZINC000195120695 281023794 /nfs/dbraw/zinc/02/37/94/281023794.db2.gz DBBDBXZTQYYRRU-SJORKVTESA-N 1 0 313.449 3.412 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc21 ZINC000127809221 431981665 /nfs/dbraw/zinc/98/16/65/431981665.db2.gz JIVFLQVKSZCWHJ-TZMCWYRMSA-N 1 0 317.408 3.170 10 0 DGAERO Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H](C)N(C4CC4)C3)cn(C)c2c1 ZINC000186545243 281043749 /nfs/dbraw/zinc/04/37/49/281043749.db2.gz QTHROPXOQYOHKN-NVXWUHKLSA-N 1 0 311.473 3.244 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)[C@H](C)C2 ZINC000180076844 281090676 /nfs/dbraw/zinc/09/06/76/281090676.db2.gz WOTPOLDBKWXBMZ-BEFAXECRSA-N 1 0 314.473 3.465 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000128183085 431988946 /nfs/dbraw/zinc/98/89/46/431988946.db2.gz ALFRTHALVDZOBF-MSOLQXFVSA-N 1 0 312.461 3.209 10 0 DGAERO COc1c(C)cc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000101566301 431986544 /nfs/dbraw/zinc/98/65/44/431986544.db2.gz HAZFSSYHTKHNDP-AWEZNQCLSA-N 1 0 306.450 3.047 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2cc1O ZINC000175437678 281191280 /nfs/dbraw/zinc/19/12/80/281191280.db2.gz AMEDTDKMPWEULY-DLBZAZTESA-N 1 0 324.424 3.244 10 0 DGAERO Cc1cccc2c1OCC[C@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000189573999 281288421 /nfs/dbraw/zinc/28/84/21/281288421.db2.gz PEFNHDGIVVNHQJ-DOTOQJQBSA-N 1 0 316.445 3.199 10 0 DGAERO c1ccc(N2CCC([NH2+]CC3=Cc4ccccc4OC3)CC2)nc1 ZINC000102422426 431993447 /nfs/dbraw/zinc/99/34/47/431993447.db2.gz LCUSBYNBNDKFLW-UHFFFAOYSA-N 1 0 321.424 3.116 10 0 DGAERO CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000057824852 431993575 /nfs/dbraw/zinc/99/35/75/431993575.db2.gz IXNCLMDMVSJYAN-IEBWSBKVSA-N 1 0 324.424 3.319 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(Cc3cc(-c4cccs4)on3)CC[C@H]21 ZINC000248122603 432269768 /nfs/dbraw/zinc/26/97/68/432269768.db2.gz NOWJWKWYVBBIST-DZGCQCFKSA-N 1 0 317.458 3.319 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1(C)C ZINC000248157860 432271963 /nfs/dbraw/zinc/27/19/63/432271963.db2.gz RQAITEPSZGNDDX-XOKHGSTOSA-N 1 0 314.433 3.122 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(Cc3coc(-c4ccccc4)n3)CC[C@H]21 ZINC000248162602 432273073 /nfs/dbraw/zinc/27/30/73/432273073.db2.gz SJFSBPVRJGNVMW-SJLPKXTDSA-N 1 0 311.429 3.258 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000248186205 432273360 /nfs/dbraw/zinc/27/33/60/432273360.db2.gz XJVMSTDIAQGFGO-LIRZEXBASA-N 1 0 319.445 3.176 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCCCC3)CC[C@@H]21 ZINC000248177195 432274258 /nfs/dbraw/zinc/27/42/58/432274258.db2.gz VTPKZOICYWRZPT-XDNAFOTISA-N 1 0 304.478 3.146 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(F)c1F ZINC000183271889 432276046 /nfs/dbraw/zinc/27/60/46/432276046.db2.gz KGKMSUISNSXIRV-CHWSQXEVSA-N 1 0 320.387 3.018 10 0 DGAERO CC[C@H](C)C[N@H+](CC)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248326562 432278088 /nfs/dbraw/zinc/27/80/88/432278088.db2.gz BYSISONUAQEAPT-QWHCGFSZSA-N 1 0 308.388 3.155 10 0 DGAERO COc1c(C)cc(C[N@H+](C)[C@@H](C)C(=O)N2CCCCC2)cc1C ZINC000151813603 432279080 /nfs/dbraw/zinc/27/90/80/432279080.db2.gz NYPVLSGIVXDQDM-INIZCTEOSA-N 1 0 318.461 3.145 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2C)cc1 ZINC000248339768 432280517 /nfs/dbraw/zinc/28/05/17/432280517.db2.gz IIKFNSFHDFUFNA-VKJFTORMSA-N 1 0 316.445 3.089 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)NCc1cccc2ccccc21 ZINC000183313389 432281528 /nfs/dbraw/zinc/28/15/28/432281528.db2.gz CTLPHJWUDYZEPX-UHFFFAOYSA-N 1 0 305.381 3.231 10 0 DGAERO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000248384806 432283256 /nfs/dbraw/zinc/28/32/56/432283256.db2.gz GBGHSWPCXUCCGH-RISCZKNCSA-N 1 0 305.315 3.146 10 0 DGAERO C[C@@H](CCNC(=O)Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000173594373 432289608 /nfs/dbraw/zinc/28/96/08/432289608.db2.gz RMTCZLHCCQUDEM-KRWDZBQOSA-N 1 0 310.441 3.256 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000151930194 432290517 /nfs/dbraw/zinc/29/05/17/432290517.db2.gz IHTRYPJWQZAIPW-OKZBNKHCSA-N 1 0 300.446 3.124 10 0 DGAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248446829 432291786 /nfs/dbraw/zinc/29/17/86/432291786.db2.gz HBCHRAATUDGMBQ-MAUKXSAKSA-N 1 0 311.466 3.125 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248441180 432292651 /nfs/dbraw/zinc/29/26/51/432292651.db2.gz UZUKYYLYHMEGNM-DZKIICNBSA-N 1 0 302.418 3.144 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000173650582 432293664 /nfs/dbraw/zinc/29/36/64/432293664.db2.gz UXRBGLGOEXXIKE-QFBILLFUSA-N 1 0 323.440 3.314 10 0 DGAERO CN(C)C(=O)CC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000191701028 432293788 /nfs/dbraw/zinc/29/37/88/432293788.db2.gz DYIIBKXLRANNKB-SFHVURJKSA-N 1 0 314.404 3.177 10 0 DGAERO C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000173713498 432293932 /nfs/dbraw/zinc/29/39/32/432293932.db2.gz HXSZNLFBNGCRSM-HNNXBMFYSA-N 1 0 318.436 3.264 10 0 DGAERO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc(F)c(Cl)c1 ZINC000183449803 432293969 /nfs/dbraw/zinc/29/39/69/432293969.db2.gz HOQAWWZMQQAVLI-SNVBAGLBSA-N 1 0 321.783 3.431 10 0 DGAERO CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000183456495 432294249 /nfs/dbraw/zinc/29/42/49/432294249.db2.gz CLUXDNSOTJJJJX-MRXNPFEDSA-N 1 0 306.475 3.202 10 0 DGAERO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccccc1Cl ZINC000183471394 432295781 /nfs/dbraw/zinc/29/57/81/432295781.db2.gz OAILMONCPCUWBE-NSHDSACASA-N 1 0 303.793 3.292 10 0 DGAERO CC(Cl)(Cl)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000183482647 432297557 /nfs/dbraw/zinc/29/75/57/432297557.db2.gz ZIRILOARXHZXCM-UHFFFAOYSA-N 1 0 315.244 3.092 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(C)s1 ZINC000173872297 432303898 /nfs/dbraw/zinc/30/38/98/432303898.db2.gz JNOIOLNPAUIJNN-UKRRQHHQSA-N 1 0 319.474 3.082 10 0 DGAERO C[N@H+](CCN1CCCC[C@H]1c1cn[nH]c1)Cc1ccc(F)cc1 ZINC000248551125 432300153 /nfs/dbraw/zinc/30/01/53/432300153.db2.gz IIHAWBGTYWWENT-SFHVURJKSA-N 1 0 316.424 3.208 10 0 DGAERO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000248549669 432300197 /nfs/dbraw/zinc/30/01/97/432300197.db2.gz HOAHRJXWCCQAFP-RDTXWAMCSA-N 1 0 302.418 3.414 10 0 DGAERO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000248557954 432301394 /nfs/dbraw/zinc/30/13/94/432301394.db2.gz BVGVSDMESHPSQQ-YQQAZPJKSA-N 1 0 318.461 3.226 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000183535971 432301435 /nfs/dbraw/zinc/30/14/35/432301435.db2.gz LJDJIGSBBJIYLL-OAHLLOKOSA-N 1 0 315.804 3.218 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000102401659 431994077 /nfs/dbraw/zinc/99/40/77/431994077.db2.gz QISXXVCKFBOXMJ-QGZVFWFLSA-N 1 0 318.461 3.355 10 0 DGAERO COc1ccccc1/C=C/C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000102419649 431994137 /nfs/dbraw/zinc/99/41/37/431994137.db2.gz WAABFFLVUFRPHW-FSNWXROXSA-N 1 0 300.402 3.194 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)cn1 ZINC000128485206 431995719 /nfs/dbraw/zinc/99/57/19/431995719.db2.gz BNKLPRMZUSLSPM-SFHVURJKSA-N 1 0 318.424 3.472 10 0 DGAERO CC(=O)Oc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000128588181 431996872 /nfs/dbraw/zinc/99/68/72/431996872.db2.gz DBKGHYJDYRACBU-ROUUACIJSA-N 1 0 313.401 3.082 10 0 DGAERO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1C ZINC000248041849 432262910 /nfs/dbraw/zinc/26/29/10/432262910.db2.gz MDOVWXVUTGNVAM-HKUYNNGSSA-N 1 0 324.424 3.179 10 0 DGAERO CCC1(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC1 ZINC000248035715 432263821 /nfs/dbraw/zinc/26/38/21/432263821.db2.gz LEPMTHMZUNYYMW-CVEARBPZSA-N 1 0 301.434 3.064 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000151664754 432263957 /nfs/dbraw/zinc/26/39/57/432263957.db2.gz SCRGAPXZPTVNLB-DOMZBBRYSA-N 1 0 305.397 3.129 10 0 DGAERO C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@H]1CCCO1 ZINC000183177840 432264378 /nfs/dbraw/zinc/26/43/78/432264378.db2.gz FYCUKOFURHSEIJ-ZENOOKHLSA-N 1 0 324.490 3.109 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccccc1OC(F)F)CC2 ZINC000248029052 432264434 /nfs/dbraw/zinc/26/44/34/432264434.db2.gz PYHIMCWYDHVLJY-WMLDXEAASA-N 1 0 311.372 3.415 10 0 DGAERO CCc1ccsc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248081241 432264851 /nfs/dbraw/zinc/26/48/51/432264851.db2.gz RWNKNCIIZPNAGR-CVEARBPZSA-N 1 0 314.454 3.486 10 0 DGAERO FC(F)(F)C1CCC(C[NH2+][C@@H]2CCCn3ncnc32)CC1 ZINC000183728289 432320465 /nfs/dbraw/zinc/32/04/65/432320465.db2.gz DRLQLALPKXPRDL-HTAVTVPLSA-N 1 0 302.344 3.071 10 0 DGAERO CCCc1cccc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000248805868 432320890 /nfs/dbraw/zinc/32/08/90/432320890.db2.gz BCNZSVUBTTYHBO-IRXDYDNUSA-N 1 0 315.417 3.293 10 0 DGAERO COc1ccc([C@H](CNCc2cocn2)[NH+]2CCCCC2)cc1 ZINC000192280159 432355123 /nfs/dbraw/zinc/35/51/23/432355123.db2.gz CNLYZCGEGLSRPX-SFHVURJKSA-N 1 0 315.417 3.000 10 0 DGAERO CCC(=O)c1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000152353947 432326948 /nfs/dbraw/zinc/32/69/48/432326948.db2.gz JLXSMZCQQFHPJI-XJKSGUPXSA-N 1 0 317.433 3.130 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(Cl)cc1 ZINC000174197996 432329241 /nfs/dbraw/zinc/32/92/41/432329241.db2.gz SUHQVRKPOHRCJM-CZUORRHYSA-N 1 0 318.852 3.393 10 0 DGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4ccccc43)C2)cn1 ZINC000174197013 432329280 /nfs/dbraw/zinc/32/92/80/432329280.db2.gz NGVSHATXGDDIEC-VQIMIIECSA-N 1 0 310.445 3.056 10 0 DGAERO CCn1cc([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000248928042 432329435 /nfs/dbraw/zinc/32/94/35/432329435.db2.gz XLGXKHASMONYAY-GJYPPUQNSA-N 1 0 312.461 3.074 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@@H]2CCCC[C@H]21 ZINC000248919775 432329818 /nfs/dbraw/zinc/32/98/18/432329818.db2.gz DWGKUNQNAIMXKK-ISTRZQFTSA-N 1 0 300.406 3.086 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)Oc2ccccc2)C12CCOCC2 ZINC000248970955 432330553 /nfs/dbraw/zinc/33/05/53/432330553.db2.gz GQPZOFBJCBDFLK-RYQLBKOJSA-N 1 0 319.445 3.018 10 0 DGAERO COc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000192075946 432330621 /nfs/dbraw/zinc/33/06/21/432330621.db2.gz LJCWZQAJKIVPLP-PBHICJAKSA-N 1 0 309.837 3.476 10 0 DGAERO CN1CC[C@H](NC(=O)C2CC=CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152391834 432331191 /nfs/dbraw/zinc/33/11/91/432331191.db2.gz OAPXCZXHTUCBQY-HOTGVXAUSA-N 1 0 322.811 3.307 10 0 DGAERO CN1CC[C@@H](NC(=O)C2CC=CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152391920 432331250 /nfs/dbraw/zinc/33/12/50/432331250.db2.gz OAPXCZXHTUCBQY-CVEARBPZSA-N 1 0 322.811 3.307 10 0 DGAERO CCC[C@H]([NH2+][C@H]1C[C@@H](OCC)C12CCOCC2)c1ccccn1 ZINC000248977341 432331461 /nfs/dbraw/zinc/33/14/61/432331461.db2.gz HWVSONJHRZVSJF-OKZBNKHCSA-N 1 0 318.461 3.487 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2nc(C)cs2)C12CCOCC2 ZINC000248997360 432333169 /nfs/dbraw/zinc/33/31/69/432333169.db2.gz MIELAFXNFNDLMS-HZSPNIEDSA-N 1 0 310.463 3.076 10 0 DGAERO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000248988850 432333458 /nfs/dbraw/zinc/33/34/58/432333458.db2.gz WGQDLXWZGMQDRB-DRPJVOAASA-N 1 0 305.422 3.132 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC000249038257 432333900 /nfs/dbraw/zinc/33/39/00/432333900.db2.gz MPLXAGKYNBWUJC-OWYHZJEWSA-N 1 0 303.446 3.449 10 0 DGAERO CCCC1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000174286766 432334787 /nfs/dbraw/zinc/33/47/87/432334787.db2.gz PEQCHUGCXFDGFO-VXLLPVPCSA-N 1 0 309.498 3.469 10 0 DGAERO C=Cn1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cn1 ZINC000249031004 432335101 /nfs/dbraw/zinc/33/51/01/432335101.db2.gz RBFPCCSLIBRNIS-LSDHHAIUSA-N 1 0 303.431 3.133 10 0 DGAERO CCc1nc(NC(=O)N2CCC([NH+]3CCCC3)CC2)sc1C ZINC000174338171 432337661 /nfs/dbraw/zinc/33/76/61/432337661.db2.gz SWQDXCNYABNPJJ-UHFFFAOYSA-N 1 0 322.478 3.106 10 0 DGAERO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2F)C1 ZINC000174348910 432337855 /nfs/dbraw/zinc/33/78/55/432337855.db2.gz ZXEGYSIZYBPRKI-OLZOCXBDSA-N 1 0 310.438 3.370 10 0 DGAERO COc1ccccc1C[C@H]1CCCN1CC[NH+]1CCC(C)CC1 ZINC000152534051 432339475 /nfs/dbraw/zinc/33/94/75/432339475.db2.gz LPTGALGPDMERMB-LJQANCHMSA-N 1 0 316.489 3.434 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000174370525 432339671 /nfs/dbraw/zinc/33/96/71/432339671.db2.gz SCNUVVNQYOAJDM-MQYQWHSLSA-N 1 0 322.424 3.273 10 0 DGAERO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000249149340 432341896 /nfs/dbraw/zinc/34/18/96/432341896.db2.gz XIRWYJKFYXUSCL-SJLPKXTDSA-N 1 0 323.502 3.469 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@H]1C ZINC000249242512 432342673 /nfs/dbraw/zinc/34/26/73/432342673.db2.gz WVUNTJODEIYZFN-CXAGYDPISA-N 1 0 305.418 3.189 10 0 DGAERO CC[C@@H]1CN(c2ccccc2)CCN1CCOCC(F)(F)F ZINC000184017343 432346071 /nfs/dbraw/zinc/34/60/71/432346071.db2.gz UYLKCEJXGHWBIB-CQSZACIVSA-N 1 0 316.367 3.166 10 0 DGAERO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000249416744 432346987 /nfs/dbraw/zinc/34/69/87/432346987.db2.gz WIDMZBOFGNMXPA-CABCVRRESA-N 1 0 317.351 3.240 10 0 DGAERO CCCCOc1cc(C[NH2+]CC2(C)OCCCO2)ccc1OC ZINC000192250488 432349550 /nfs/dbraw/zinc/34/95/50/432349550.db2.gz SZKUMBPDANOOEQ-UHFFFAOYSA-N 1 0 323.433 3.117 10 0 DGAERO C[C@H]([NH2+]Cc1cc(Br)cs1)c1ccnn1C ZINC000192251672 432349582 /nfs/dbraw/zinc/34/95/82/432349582.db2.gz NSRJTOPHYWNQHY-QMMMGPOBSA-N 1 0 300.225 3.095 10 0 DGAERO C[C@@H]1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC(C)(C)C1 ZINC000248592894 432304792 /nfs/dbraw/zinc/30/47/92/432304792.db2.gz SCHXQVLNUAJTOM-LTIDMASMSA-N 1 0 306.494 3.392 10 0 DGAERO Clc1cccc(-c2noc(CC[NH2+][C@@H]3CCCSC3)n2)c1 ZINC000183606191 432308125 /nfs/dbraw/zinc/30/81/25/432308125.db2.gz PFDPGSMVZLIYOT-CYBMUJFWSA-N 1 0 323.849 3.418 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC000152146733 432308928 /nfs/dbraw/zinc/30/89/28/432308928.db2.gz SPSXXBXMTOEHJW-HNNXBMFYSA-N 1 0 305.372 3.177 10 0 DGAERO CCc1ccc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)s1 ZINC000173956103 432311177 /nfs/dbraw/zinc/31/11/77/432311177.db2.gz NWOFEZKTLAWWPM-KBPBESRZSA-N 1 0 321.490 3.079 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000248658151 432311372 /nfs/dbraw/zinc/31/13/72/432311372.db2.gz TZKJOLPZFKWVTL-HOTGVXAUSA-N 1 0 312.417 3.258 10 0 DGAERO Cn1c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)cc2sc1=O ZINC000248713986 432312619 /nfs/dbraw/zinc/31/26/19/432312619.db2.gz DIUJOFUAOQCIIG-UONOGXRCSA-N 1 0 302.443 3.365 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCc1ccc(F)c(F)c1 ZINC000153004943 432374997 /nfs/dbraw/zinc/37/49/97/432374997.db2.gz BQCHFNUBKXNVDI-DYVFJYSZSA-N 1 0 324.415 3.086 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccccn1 ZINC000192473935 432379013 /nfs/dbraw/zinc/37/90/13/432379013.db2.gz FMUBDCPHOFIWNG-CVEARBPZSA-N 1 0 314.429 3.296 10 0 DGAERO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccn1 ZINC000192473905 432379048 /nfs/dbraw/zinc/37/90/48/432379048.db2.gz FMUBDCPHOFIWNG-JKSUJKDBSA-N 1 0 314.429 3.296 10 0 DGAERO Cc1cncc([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)c1 ZINC000184360427 432383083 /nfs/dbraw/zinc/38/30/83/432383083.db2.gz MZPHMAVQBLRLSV-INIZCTEOSA-N 1 0 310.445 3.413 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C(F)F)c1 ZINC000174971849 432384815 /nfs/dbraw/zinc/38/48/15/432384815.db2.gz FOMOSWKTOVADSD-HUUCEWRRSA-N 1 0 308.372 3.323 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000184388191 432385834 /nfs/dbraw/zinc/38/58/34/432385834.db2.gz ALGKGADZDOEJEX-HIFRSBDPSA-N 1 0 316.836 3.368 10 0 DGAERO CC[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000252658241 432386270 /nfs/dbraw/zinc/38/62/70/432386270.db2.gz YCGYBWVUSXXVKB-YJBOKZPZSA-N 1 0 316.445 3.091 10 0 DGAERO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000252695918 432386908 /nfs/dbraw/zinc/38/69/08/432386908.db2.gz AYBXJOULACJGJG-RHSMWYFYSA-N 1 0 316.424 3.187 10 0 DGAERO CCCOc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000175009237 432389065 /nfs/dbraw/zinc/38/90/65/432389065.db2.gz YHZRNHQUPXRGAD-DLBZAZTESA-N 1 0 316.445 3.174 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000153191113 432390819 /nfs/dbraw/zinc/39/08/19/432390819.db2.gz NCAFJBZPNOUGRO-QMTHXVAHSA-N 1 0 313.804 3.426 10 0 DGAERO C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000192585806 432390908 /nfs/dbraw/zinc/39/09/08/432390908.db2.gz NLHSDORIYCRONF-STQMWFEESA-N 1 0 322.474 3.465 10 0 DGAERO CCCC(O)(CCC)C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192588763 432391282 /nfs/dbraw/zinc/39/12/82/432391282.db2.gz OYYCVZDFCFZVGU-UHFFFAOYSA-N 1 0 322.474 3.021 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000175030888 432391280 /nfs/dbraw/zinc/39/12/80/432391280.db2.gz CFWHTGCMHBFJPM-JKSUJKDBSA-N 1 0 311.429 3.175 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)cc2cccnc21 ZINC000175043438 432391543 /nfs/dbraw/zinc/39/15/43/432391543.db2.gz YZMCUZQZUWSVBU-QZTJIDSGSA-N 1 0 313.420 3.433 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2ccccc2)o1 ZINC000175035439 432391814 /nfs/dbraw/zinc/39/18/14/432391814.db2.gz KGPQDFNDRJNXLO-DLBZAZTESA-N 1 0 311.429 3.400 10 0 DGAERO CCc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000175103077 432397121 /nfs/dbraw/zinc/39/71/21/432397121.db2.gz UZPUYVJNZGRYRX-AGUYFDCRSA-N 1 0 321.490 3.125 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000175140839 432403279 /nfs/dbraw/zinc/40/32/79/432403279.db2.gz MSINILDJCOORTK-GFCCVEGCSA-N 1 0 313.392 3.057 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c(C)c1 ZINC000192712065 432404239 /nfs/dbraw/zinc/40/42/39/432404239.db2.gz MXBORMWWYHSUIY-MRXNPFEDSA-N 1 0 310.445 3.413 10 0 DGAERO C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccnn1C ZINC000192709971 432404297 /nfs/dbraw/zinc/40/42/97/432404297.db2.gz ZTJVFIGHNGPAKX-LLVKDONJSA-N 1 0 313.323 3.212 10 0 DGAERO O=C(Cc1ccc(O)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000192721927 432404805 /nfs/dbraw/zinc/40/48/05/432404805.db2.gz QVSFHGGCMUESBN-UHFFFAOYSA-N 1 0 310.397 3.169 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000175152768 432404985 /nfs/dbraw/zinc/40/49/85/432404985.db2.gz SGXAMKLPIMNCAC-NUJGCVRESA-N 1 0 317.477 3.223 10 0 DGAERO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000249769055 432358221 /nfs/dbraw/zinc/35/82/21/432358221.db2.gz BKYMJXJWAGCTLN-DDUZABMNSA-N 1 0 317.477 3.179 10 0 DGAERO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249886957 432360477 /nfs/dbraw/zinc/36/04/77/432360477.db2.gz PJRBIHAVECFYAI-ZIAGYGMSSA-N 1 0 323.506 3.324 10 0 DGAERO C[C@H](CNC(=O)c1cccc2ncccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000249944796 432362710 /nfs/dbraw/zinc/36/27/10/432362710.db2.gz YDYGUWIRMZCKKL-LSDHHAIUSA-N 1 0 311.429 3.085 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000250107183 432363816 /nfs/dbraw/zinc/36/38/16/432363816.db2.gz SGUBLHMPSXVMQG-QXAKKESOSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@@H]1CCc2c(C(=O)N3CCN4CCCC[C@H]4C3)csc2C1 ZINC000250303692 432367516 /nfs/dbraw/zinc/36/75/16/432367516.db2.gz ZEYQFPGLEWKLMA-KGLIPLIRSA-N 1 0 318.486 3.183 10 0 DGAERO CC[C@H]1CCCCN1C(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000152927265 432369012 /nfs/dbraw/zinc/36/90/12/432369012.db2.gz RKDBOZWRSBRPFE-WMZOPIPTSA-N 1 0 322.493 3.201 10 0 DGAERO CC(C)N(C(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1)C(C)C ZINC000152926510 432369231 /nfs/dbraw/zinc/36/92/31/432369231.db2.gz WVXZEOPUDFVDKB-QGZVFWFLSA-N 1 0 310.482 3.055 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(Br)s1 ZINC000251507436 432369656 /nfs/dbraw/zinc/36/96/56/432369656.db2.gz HLVQLWNFCRLFDK-LPEHRKFASA-N 1 0 304.253 3.322 10 0 DGAERO [NH3+]CC1(CC(=O)N2CCC[C@H](c3nccs3)C2)CCCCC1 ZINC000184231898 432369777 /nfs/dbraw/zinc/36/97/77/432369777.db2.gz MSFJUJLHGXDAGO-AWEZNQCLSA-N 1 0 321.490 3.148 10 0 DGAERO CCOc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000175350612 432428308 /nfs/dbraw/zinc/42/83/08/432428308.db2.gz NOAMEUCLNWABDB-MQVJKMGUSA-N 1 0 317.433 3.222 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)[NH+](C)C ZINC000153661797 432430254 /nfs/dbraw/zinc/43/02/54/432430254.db2.gz KVRUUZQKSJPOLN-YJBOKZPZSA-N 1 0 317.477 3.194 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccccc1OCc1ccccc1 ZINC000261557040 432430751 /nfs/dbraw/zinc/43/07/51/432430751.db2.gz WTHAXDLKRNKTJJ-APWZRJJASA-N 1 0 310.441 3.353 10 0 DGAERO C[C@@]1(C[NH3+])CCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000261590168 432432554 /nfs/dbraw/zinc/43/25/54/432432554.db2.gz LCADYQSTQIDLCC-AWEZNQCLSA-N 1 0 303.233 3.043 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000175404598 432432564 /nfs/dbraw/zinc/43/25/64/432432564.db2.gz GVTQWKFKSJEZMR-SJORKVTESA-N 1 0 300.446 3.124 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1(C)C ZINC000153708054 432433689 /nfs/dbraw/zinc/43/36/89/432433689.db2.gz RQAITEPSZGNDDX-RRQGHBQHSA-N 1 0 314.433 3.122 10 0 DGAERO Cc1nc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2s1 ZINC000261679557 432441165 /nfs/dbraw/zinc/44/11/65/432441165.db2.gz MHXQMCWORUADMY-KYOSRNDESA-N 1 0 315.442 3.464 10 0 DGAERO Cc1ccc(CCC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1 ZINC000261693520 432442105 /nfs/dbraw/zinc/44/21/05/432442105.db2.gz IOBWMBOOTCMCMF-UHFFFAOYSA-N 1 0 312.388 3.351 10 0 DGAERO C[NH2+][C@H](C)Cc1noc(-c2ccc(-c3ccc(F)cc3)o2)n1 ZINC000261733078 432443670 /nfs/dbraw/zinc/44/36/70/432443670.db2.gz KKDFQOOPGCTSSQ-SNVBAGLBSA-N 1 0 301.321 3.286 10 0 DGAERO Cc1sc2nc(C)nc(NC[C@@]3(C)CCC[NH2+]C3)c2c1C ZINC000261716271 432445057 /nfs/dbraw/zinc/44/50/57/432445057.db2.gz POAOQBQMMVDHKE-INIZCTEOSA-N 1 0 304.463 3.418 10 0 DGAERO FC(F)(F)c1ccccc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261792796 432450427 /nfs/dbraw/zinc/45/04/27/432450427.db2.gz QIASJPPKSZFQTJ-INIZCTEOSA-N 1 0 321.346 3.247 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000261795892 432451551 /nfs/dbraw/zinc/45/15/51/432451551.db2.gz QWZYUBLFVPRQAK-UHFFFAOYSA-N 1 0 320.383 3.291 10 0 DGAERO Cc1ccc(-c2cncc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)c2)cc1 ZINC000261824115 432452796 /nfs/dbraw/zinc/45/27/96/432452796.db2.gz HYELGKDDUXOVAM-SFHVURJKSA-N 1 0 323.440 3.256 10 0 DGAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cc(F)ccc1F ZINC000261828976 432454093 /nfs/dbraw/zinc/45/40/93/432454093.db2.gz SSWNJSGILYRSPN-QGZVFWFLSA-N 1 0 318.367 3.120 10 0 DGAERO Fc1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1Cl ZINC000261835655 432454918 /nfs/dbraw/zinc/45/49/18/432454918.db2.gz ZDPASJNMDDLJDA-INIZCTEOSA-N 1 0 305.784 3.021 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185005486 432455905 /nfs/dbraw/zinc/45/59/05/432455905.db2.gz IAXRVKQGXYAMDS-ZBFHGGJFSA-N 1 0 322.412 3.453 10 0 DGAERO C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(-c2cccnc2)cc1 ZINC000261885913 432458434 /nfs/dbraw/zinc/45/84/34/432458434.db2.gz SKEMSBCSQBJQKA-HZPDHXFCSA-N 1 0 323.440 3.316 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000153434544 432408427 /nfs/dbraw/zinc/40/84/27/432408427.db2.gz BRKWAEYATDLFCV-GOSISDBHSA-N 1 0 318.436 3.440 10 0 DGAERO CCc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC2)cc1CC ZINC000184594814 432409302 /nfs/dbraw/zinc/40/93/02/432409302.db2.gz BSXJLCXQIVBTSC-UHFFFAOYSA-N 1 0 303.450 3.369 10 0 DGAERO Cc1cccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1Cl ZINC000153445841 432409370 /nfs/dbraw/zinc/40/93/70/432409370.db2.gz AZDPJXMHDXLMBS-QWHCGFSZSA-N 1 0 307.825 3.349 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000255532302 432410972 /nfs/dbraw/zinc/41/09/72/432410972.db2.gz IHDNUUNQFFTHCO-WVRJYTFGSA-N 1 0 304.409 3.172 10 0 DGAERO COc1ccccc1/C=C\C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000255516375 432411248 /nfs/dbraw/zinc/41/12/48/432411248.db2.gz ILQRAIPAQDKUAJ-WMHRWZGDSA-N 1 0 309.409 3.300 10 0 DGAERO COC[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175230695 432414223 /nfs/dbraw/zinc/41/42/23/432414223.db2.gz VXUYBAUNZWTWFP-CYBMUJFWSA-N 1 0 304.365 3.339 10 0 DGAERO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)C1(c2ccccc2)CCCC1 ZINC000192807807 432416307 /nfs/dbraw/zinc/41/63/07/432416307.db2.gz BNSKXRKROSGTLL-CQSZACIVSA-N 1 0 314.433 3.126 10 0 DGAERO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184647630 432416675 /nfs/dbraw/zinc/41/66/75/432416675.db2.gz TTWINWWVFVOOIR-OAHLLOKOSA-N 1 0 318.461 3.008 10 0 DGAERO Cc1cc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c(C)s1 ZINC000192810321 432417271 /nfs/dbraw/zinc/41/72/71/432417271.db2.gz SRGMIMTXNUBKOJ-ZFWWWQNUSA-N 1 0 316.474 3.475 10 0 DGAERO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1cccs1 ZINC000192866197 432423253 /nfs/dbraw/zinc/42/32/53/432423253.db2.gz DNKNTBNRSHAZSY-CQSZACIVSA-N 1 0 302.443 3.366 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1cccs1 ZINC000192870553 432423417 /nfs/dbraw/zinc/42/34/17/432423417.db2.gz NTUPPZTWGOYLJP-LBPRGKRZSA-N 1 0 322.861 3.411 10 0 DGAERO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000192867621 432423480 /nfs/dbraw/zinc/42/34/80/432423480.db2.gz WWWGFZAUEIABPB-UPJWGTAASA-N 1 0 319.474 3.245 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1coc(-c2cccs2)n1 ZINC000175352750 432427622 /nfs/dbraw/zinc/42/76/22/432427622.db2.gz JRMXGIIAYXZOIK-CQSZACIVSA-N 1 0 305.447 3.319 10 0 DGAERO [NH3+]Cc1ccc(-c2noc(C3(Cc4ccccc4)CC3)n2)cc1 ZINC000262048329 432471214 /nfs/dbraw/zinc/47/12/14/432471214.db2.gz PYJTXDONIZVNPJ-UHFFFAOYSA-N 1 0 305.381 3.470 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1cnc2ccccc2c1 ZINC000262066082 432471457 /nfs/dbraw/zinc/47/14/57/432471457.db2.gz RRAAFAORFHUGRW-UHFFFAOYSA-N 1 0 305.425 3.238 10 0 DGAERO C[NH2+]CCC1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC000262043565 432472165 /nfs/dbraw/zinc/47/21/65/432472165.db2.gz LPQBXPZCBXTSGC-FQEVSTJZSA-N 1 0 314.473 3.129 10 0 DGAERO CC(=O)CC[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000175870975 432472942 /nfs/dbraw/zinc/47/29/42/432472942.db2.gz BEKFOPHVSPUPPK-UHFFFAOYSA-N 1 0 324.465 3.077 10 0 DGAERO COCCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000185160888 432473226 /nfs/dbraw/zinc/47/32/26/432473226.db2.gz ZPFBOFPWGWCHME-UHFFFAOYSA-N 1 0 304.434 3.284 10 0 DGAERO Fc1ccc(Cl)c(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000262132558 432474978 /nfs/dbraw/zinc/47/49/78/432474978.db2.gz OCBTWXDDHRVORB-INIZCTEOSA-N 1 0 305.784 3.021 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000262122043 432475263 /nfs/dbraw/zinc/47/52/63/432475263.db2.gz MGZKAXXMSRAVJG-AXFHLTTASA-N 1 0 319.396 3.030 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3cccnc3)C2)c1 ZINC000154147313 432477063 /nfs/dbraw/zinc/47/70/63/432477063.db2.gz RDWZPOXCSBTRBZ-CVEARBPZSA-N 1 0 311.429 3.267 10 0 DGAERO C[NH2+]CCC(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000262280704 432479388 /nfs/dbraw/zinc/47/93/88/432479388.db2.gz XBLYVNPFGRYJEB-UHFFFAOYSA-N 1 0 324.424 3.154 10 0 DGAERO C[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc(Cl)s1 ZINC000175950290 432481138 /nfs/dbraw/zinc/48/11/38/432481138.db2.gz VXTZGWGMXVCJNS-LLVKDONJSA-N 1 0 312.866 3.202 10 0 DGAERO Cc1cc(-c2csc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)n2)c(C)o1 ZINC000262308991 432481475 /nfs/dbraw/zinc/48/14/75/432481475.db2.gz BGGPLEWITHBNPJ-CABZTGNLSA-N 1 0 319.430 3.347 10 0 DGAERO COc1ncccc1C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000193543254 432481841 /nfs/dbraw/zinc/48/18/41/432481841.db2.gz IJJCMMLGLINXRO-AWEZNQCLSA-N 1 0 308.385 3.127 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCCc1ccc(F)c(F)c1 ZINC000154657244 432512474 /nfs/dbraw/zinc/51/24/74/432512474.db2.gz XYZSQSQGCHQEHM-OAHLLOKOSA-N 1 0 324.415 3.230 10 0 DGAERO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2C(C)C)[NH+]2CCCC2)o1 ZINC000185246599 432482970 /nfs/dbraw/zinc/48/29/70/432482970.db2.gz KYPBUMPQQGNIOR-OAGGEKHMSA-N 1 0 304.434 3.133 10 0 DGAERO CC(C)C[C@H](C)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000185244046 432483426 /nfs/dbraw/zinc/48/34/26/432483426.db2.gz BNYDZKBCSRCWIY-HNNXBMFYSA-N 1 0 303.450 3.370 10 0 DGAERO COc1ccc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(OC)c1 ZINC000154213388 432483752 /nfs/dbraw/zinc/48/37/52/432483752.db2.gz JTZWVYXHJUYDFW-ZQIUZPCESA-N 1 0 306.450 3.083 10 0 DGAERO CC(C)C[C@@H](C)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000185271310 432484032 /nfs/dbraw/zinc/48/40/32/432484032.db2.gz BMJLSNUSOTUYSG-MRXNPFEDSA-N 1 0 317.477 3.055 10 0 DGAERO COc1ccc(C)cc1NC(=O)CN[C@H](C)c1ccc(C)o1 ZINC000193634839 432486300 /nfs/dbraw/zinc/48/63/00/432486300.db2.gz FNHLQTNMXOKASP-CYBMUJFWSA-N 1 0 302.374 3.194 10 0 DGAERO C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262595692 432493235 /nfs/dbraw/zinc/49/32/35/432493235.db2.gz USYISWBCFGDOJN-COPLHBTASA-N 1 0 312.866 3.064 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000185338704 432493352 /nfs/dbraw/zinc/49/33/52/432493352.db2.gz DELNPCPVBSEDCJ-GFCCVEGCSA-N 1 0 323.824 3.229 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccccc1C ZINC000176127832 432493915 /nfs/dbraw/zinc/49/39/15/432493915.db2.gz NMRSKNKLWFPVCZ-JKSUJKDBSA-N 1 0 303.450 3.182 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C/C=C/c1cccc(F)c1 ZINC000176147770 432495720 /nfs/dbraw/zinc/49/57/20/432495720.db2.gz LFNWMWRGSLBFPT-DUIXZTDISA-N 1 0 318.436 3.466 10 0 DGAERO Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)CCCCCC[NH3+])cc1 ZINC000262633818 432496482 /nfs/dbraw/zinc/49/64/82/432496482.db2.gz OFMQGGCVLQCNSV-PKOBYXMFSA-N 1 0 318.461 3.241 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C/C=C/c1cccc(F)c1 ZINC000176196017 432499511 /nfs/dbraw/zinc/49/95/11/432499511.db2.gz PXLCMVGOHUTNAK-JKNJVXJCSA-N 1 0 306.425 3.322 10 0 DGAERO C[C@H]1[NH2+]CCN(C(=O)c2cccc(OCc3ccccc3)c2)[C@@H]1C ZINC000262734442 432499589 /nfs/dbraw/zinc/49/95/89/432499589.db2.gz CDMQGWIFAVPERG-HZPDHXFCSA-N 1 0 324.424 3.088 10 0 DGAERO C[C@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC000185439949 432500976 /nfs/dbraw/zinc/50/09/76/432500976.db2.gz UZHXHQWBCKDEPY-BLLLJJGKSA-N 1 0 305.809 3.183 10 0 DGAERO C[C@@H](CNC(=O)C/C=C/c1cccc(F)c1)[NH+]1CCC(C)CC1 ZINC000176223877 432503222 /nfs/dbraw/zinc/50/32/22/432503222.db2.gz YEYLNAFIROJDPT-NBUZRDOWSA-N 1 0 318.436 3.466 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)c2ccccc2COc2ccccc2)CC[NH2+]1 ZINC000262814227 432503654 /nfs/dbraw/zinc/50/36/54/432503654.db2.gz GFFZLKXPBONEPZ-RDJZCZTQSA-N 1 0 324.424 3.136 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000262844541 432505360 /nfs/dbraw/zinc/50/53/60/432505360.db2.gz RPQVTFORWAPXIW-CXAGYDPISA-N 1 0 314.454 3.046 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1OC(C)C ZINC000176300667 432509109 /nfs/dbraw/zinc/50/91/09/432509109.db2.gz GKDXHODBHRMLKY-OAHLLOKOSA-N 1 0 319.449 3.422 10 0 DGAERO CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000176315887 432510600 /nfs/dbraw/zinc/51/06/00/432510600.db2.gz VOUAJIWHOCXOKI-DZGCQCFKSA-N 1 0 324.852 3.098 10 0 DGAERO CCS(=O)(=O)C1CC[NH+](CCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000193251585 432460006 /nfs/dbraw/zinc/46/00/06/432460006.db2.gz CLYDBOSEDHTIMW-GJZGRUSLSA-N 1 0 315.523 3.348 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)NC2(c3cccc(Cl)c3)CC2)C1 ZINC000153971844 432460384 /nfs/dbraw/zinc/46/03/84/432460384.db2.gz QLDHUQUMGXTCQH-HNNXBMFYSA-N 1 0 321.852 3.113 10 0 DGAERO CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)Cc1ccccc1 ZINC000261933473 432461377 /nfs/dbraw/zinc/46/13/77/432461377.db2.gz LYQDDXIDYUKNFN-GUDVDZBRSA-N 1 0 316.489 3.002 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NCC[NH+]1CCCCCC1 ZINC000185095237 432465267 /nfs/dbraw/zinc/46/52/67/432465267.db2.gz KLKYSQDLSQEVLO-UHFFFAOYSA-N 1 0 300.402 3.347 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261990214 432467356 /nfs/dbraw/zinc/46/73/56/432467356.db2.gz SPSLXJYTWZRRJX-GUDVDZBRSA-N 1 0 316.489 3.231 10 0 DGAERO CC(C)(C)c1ncc(CN(CC[NH3+])CCc2ccccc2)s1 ZINC000262023673 432470618 /nfs/dbraw/zinc/47/06/18/432470618.db2.gz NJJHQHOAPYAELH-UHFFFAOYSA-N 1 0 317.502 3.444 10 0 DGAERO C=Cn1cc(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000194425701 432550271 /nfs/dbraw/zinc/55/02/71/432550271.db2.gz GXLSQYJQKQBAFM-IBGZPJMESA-N 1 0 310.445 3.128 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]C[C@H]2CCC=CO2)CCCC1 ZINC000194448734 432552417 /nfs/dbraw/zinc/55/24/17/432552417.db2.gz FJLRSUQGMCIWEA-CQSZACIVSA-N 1 0 310.438 3.106 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000155384423 432553131 /nfs/dbraw/zinc/55/31/31/432553131.db2.gz XQIHKJNTDFWHOA-AWEZNQCLSA-N 1 0 313.445 3.246 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000186037496 432553939 /nfs/dbraw/zinc/55/39/39/432553939.db2.gz QNKDFXMAAUWUAP-PKOBYXMFSA-N 1 0 305.462 3.260 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000155413061 432554166 /nfs/dbraw/zinc/55/41/66/432554166.db2.gz QMQRJCNYKFVNRW-FZMZJTMJSA-N 1 0 314.351 3.164 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000155411415 432554427 /nfs/dbraw/zinc/55/44/27/432554427.db2.gz KPTVLQSPZDUQER-HZMBPMFUSA-N 1 0 315.244 3.452 10 0 DGAERO COc1ccccc1C(C)(C)[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000176833725 432556406 /nfs/dbraw/zinc/55/64/06/432556406.db2.gz CKBWAWZMIMPVJA-UHFFFAOYSA-N 1 0 324.428 3.380 10 0 DGAERO CCc1noc(C)c1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000155496581 432557198 /nfs/dbraw/zinc/55/71/98/432557198.db2.gz GTKPUXRFBMZRTH-UHFFFAOYSA-N 1 0 320.437 3.074 10 0 DGAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCOC[C@H]2C)c1 ZINC000193988606 432515804 /nfs/dbraw/zinc/51/58/04/432515804.db2.gz JMUYARCOEUPHMN-RHSMWYFYSA-N 1 0 304.434 3.140 10 0 DGAERO Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)Cc2ccccc2)o1 ZINC000194021259 432517791 /nfs/dbraw/zinc/51/77/91/432517791.db2.gz LTFIYYFBWLUFIG-GJZGRUSLSA-N 1 0 300.402 3.286 10 0 DGAERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000176472683 432526683 /nfs/dbraw/zinc/52/66/83/432526683.db2.gz MXQYRSQBNOSXFQ-UIBIWLFHSA-N 1 0 317.477 3.303 10 0 DGAERO C[C@@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000194173635 432530037 /nfs/dbraw/zinc/53/00/37/432530037.db2.gz HROFWRRTGMXVNT-NVXWUHKLSA-N 1 0 317.477 3.242 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1)CC2 ZINC000154939901 432530088 /nfs/dbraw/zinc/53/00/88/432530088.db2.gz PJSKIMPDTZYZIC-GJZGRUSLSA-N 1 0 302.397 3.035 10 0 DGAERO CCCn1cc(C[NH2+]CCc2cn(C)c3cc(F)ccc23)cn1 ZINC000185748968 432530515 /nfs/dbraw/zinc/53/05/15/432530515.db2.gz JHPCMHCMTHLBKO-UHFFFAOYSA-N 1 0 314.408 3.256 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(C)oc2ccccc21 ZINC000185755692 432530566 /nfs/dbraw/zinc/53/05/66/432530566.db2.gz VLZQPTOBEGWGJW-CQSZACIVSA-N 1 0 300.402 3.298 10 0 DGAERO C[C@@H](N(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1(C)CC1 ZINC000176523517 432531842 /nfs/dbraw/zinc/53/18/42/432531842.db2.gz LDWJHKBFXKOKNP-CYBMUJFWSA-N 1 0 321.440 3.217 10 0 DGAERO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000272597537 432531964 /nfs/dbraw/zinc/53/19/64/432531964.db2.gz GTZNSAUHAOAZAN-SFHVURJKSA-N 1 0 324.424 3.047 10 0 DGAERO Cc1cccc2[nH]cc(CCNC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])c21 ZINC000263315470 432532591 /nfs/dbraw/zinc/53/25/91/432532591.db2.gz ZJFNRLBTPFGHES-DNVCBOLYSA-N 1 0 313.445 3.043 10 0 DGAERO Cc1cccc2[nH]cc(CCNC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])c21 ZINC000263315472 432532875 /nfs/dbraw/zinc/53/28/75/432532875.db2.gz ZJFNRLBTPFGHES-KXBFYZLASA-N 1 0 313.445 3.043 10 0 DGAERO C[NH+](C)CCN(Cc1cccs1)C(=O)NCC1(C)CCC1 ZINC000176582391 432535057 /nfs/dbraw/zinc/53/50/57/432535057.db2.gz SJHGCZIFUDPEIY-UHFFFAOYSA-N 1 0 309.479 3.012 10 0 DGAERO C=Cn1cc(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000194271630 432535919 /nfs/dbraw/zinc/53/59/19/432535919.db2.gz UZSFVWZBVCKHPE-LJQANCHMSA-N 1 0 310.445 3.128 10 0 DGAERO CCC[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000155074726 432537539 /nfs/dbraw/zinc/53/75/39/432537539.db2.gz OTWGDIINOSUZRX-ROUUACIJSA-N 1 0 302.462 3.198 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C/C=C/c1cccc(F)c1 ZINC000176612858 432537631 /nfs/dbraw/zinc/53/76/31/432537631.db2.gz HCAKNAINITYBJZ-DBWMJRBXSA-N 1 0 304.409 3.220 10 0 DGAERO Cc1cc(CCCC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c(C)s1 ZINC000155099220 432539150 /nfs/dbraw/zinc/53/91/50/432539150.db2.gz RDGNSCLZHQHEOT-BETUJISGSA-N 1 0 308.491 3.239 10 0 DGAERO C[NH+](C)CC1(CNC(=O)C(C)(C)c2cccs2)CCCC1 ZINC000185877898 432541135 /nfs/dbraw/zinc/54/11/35/432541135.db2.gz WAMUZELSNRNVRQ-UHFFFAOYSA-N 1 0 308.491 3.264 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C(C)C)C(C)C)[C@H](C)C1 ZINC000194353980 432544297 /nfs/dbraw/zinc/54/42/97/432544297.db2.gz LOIBQGBYSDBLDR-WBVHZDCISA-N 1 0 311.514 3.286 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3cn4cccnc4n3)C2)cc1 ZINC000155275851 432547486 /nfs/dbraw/zinc/54/74/86/432547486.db2.gz QEMJSHMACGANJI-GOEBONIOSA-N 1 0 322.412 3.116 10 0 DGAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177296349 432608375 /nfs/dbraw/zinc/60/83/75/432608375.db2.gz AJXSVHGHVYDTEQ-KBPBESRZSA-N 1 0 309.417 3.326 10 0 DGAERO C[C@H]1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)c2ccccc21 ZINC000186583316 432610343 /nfs/dbraw/zinc/61/03/43/432610343.db2.gz SDBSZERWWKVNIA-YOEHRIQHSA-N 1 0 303.450 3.218 10 0 DGAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCc1ccccc1O ZINC000177308830 432610435 /nfs/dbraw/zinc/61/04/35/432610435.db2.gz WQOPHLWWXCUQBC-UHFFFAOYSA-N 1 0 312.413 3.334 10 0 DGAERO CCCCOC[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000195187395 432611500 /nfs/dbraw/zinc/61/15/00/432611500.db2.gz BWKMIJLBUXYVLW-QGZVFWFLSA-N 1 0 309.425 3.362 10 0 DGAERO CCCCOC[C@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000195214247 432612349 /nfs/dbraw/zinc/61/23/49/432612349.db2.gz KWQKVGZPKNXHOH-CQSZACIVSA-N 1 0 313.388 3.111 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)c1ccccc1 ZINC000177358881 432616193 /nfs/dbraw/zinc/61/61/93/432616193.db2.gz WBMMRIIWIJTLMI-QGZVFWFLSA-N 1 0 317.477 3.090 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccc(Cl)cc3[nH]2)C1 ZINC000194656338 432565780 /nfs/dbraw/zinc/56/57/80/432565780.db2.gz RTHQSSZWAIABEZ-ZDUSSCGKSA-N 1 0 305.809 3.035 10 0 DGAERO CC[C@H](C)c1ccccc1OCC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194647949 432566807 /nfs/dbraw/zinc/56/68/07/432566807.db2.gz GUQNRGBEVDODCN-JKSUJKDBSA-N 1 0 318.461 3.179 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C12CCOCC2 ZINC000186195858 432568472 /nfs/dbraw/zinc/56/84/72/432568472.db2.gz QAGJCJOZDCUXJX-HZPDHXFCSA-N 1 0 309.837 3.404 10 0 DGAERO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@]1(CCO)CCOC1 ZINC000186196016 432568643 /nfs/dbraw/zinc/56/86/43/432568643.db2.gz QUBHMNDEPGZIJT-IEBWSBKVSA-N 1 0 303.446 3.060 10 0 DGAERO Cc1nc(Cl)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000194691200 432568693 /nfs/dbraw/zinc/56/86/93/432568693.db2.gz HAMJPJLPYPJJFV-ZDUSSCGKSA-N 1 0 322.840 3.136 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000155756456 432570636 /nfs/dbraw/zinc/57/06/36/432570636.db2.gz QDMQALFYTSMJLW-YGRLFVJLSA-N 1 0 315.244 3.452 10 0 DGAERO CCCN(C)c1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000176991361 432572039 /nfs/dbraw/zinc/57/20/39/432572039.db2.gz FQTRMSWXFNIGKE-GOSISDBHSA-N 1 0 317.477 3.089 10 0 DGAERO CCNc1ccc(Cl)cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000176989668 432572419 /nfs/dbraw/zinc/57/24/19/432572419.db2.gz YLXKAWYPVMPERK-JSGCOSHPSA-N 1 0 321.852 3.081 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Cc1ccccc1 ZINC000194732274 432572816 /nfs/dbraw/zinc/57/28/16/432572816.db2.gz SIXHRUVAXVMNHR-GOSISDBHSA-N 1 0 308.425 3.101 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000176979113 432572899 /nfs/dbraw/zinc/57/28/99/432572899.db2.gz GWQYPUJRJPQYHO-HNNXBMFYSA-N 1 0 313.445 3.341 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)C12CCOCC2 ZINC000186261509 432573784 /nfs/dbraw/zinc/57/37/84/432573784.db2.gz SDOBQCUJYONGLW-JCGIZDLHSA-N 1 0 319.445 3.320 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2c(s1)CCCC2 ZINC000177008559 432573948 /nfs/dbraw/zinc/57/39/48/432573948.db2.gz ITHHHLMJZABDOW-CQSZACIVSA-N 1 0 306.475 3.183 10 0 DGAERO CCC(CC)c1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)on1 ZINC000155759522 432574062 /nfs/dbraw/zinc/57/40/62/432574062.db2.gz HVRKJBSIHDETAR-WFASDCNBSA-N 1 0 307.438 3.037 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000177004212 432574674 /nfs/dbraw/zinc/57/46/74/432574674.db2.gz IPCKPHNCVKKQHR-CQSZACIVSA-N 1 0 317.408 3.172 10 0 DGAERO CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186266677 432576639 /nfs/dbraw/zinc/57/66/39/432576639.db2.gz OSVXSSXDKVUJCL-QZTJIDSGSA-N 1 0 319.445 3.149 10 0 DGAERO CCc1noc(C)c1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000155864753 432579116 /nfs/dbraw/zinc/57/91/16/432579116.db2.gz QTRQZHGOOLRDPD-UHFFFAOYSA-N 1 0 322.453 3.323 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2cccc(Br)c2)CCN1C ZINC000177059298 432581119 /nfs/dbraw/zinc/58/11/19/432581119.db2.gz KJKRGAWHIKMKQI-SWLSCSKDSA-N 1 0 311.267 3.364 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186345107 432584376 /nfs/dbraw/zinc/58/43/76/432584376.db2.gz TZPLEGVAPXYSKZ-QGZVFWFLSA-N 1 0 318.461 3.248 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000278745704 288371417 /nfs/dbraw/zinc/37/14/17/288371417.db2.gz WWOAASYCVZFVMH-VCTAVGKDSA-N 1 0 310.235 3.451 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000194937354 432587766 /nfs/dbraw/zinc/58/77/66/432587766.db2.gz HBUOGZQPERZAQP-ZDUSSCGKSA-N 1 0 309.479 3.230 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000177124235 432588324 /nfs/dbraw/zinc/58/83/24/432588324.db2.gz GZULBYKRJSDUFY-HUUCEWRRSA-N 1 0 317.433 3.174 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000177129469 432588685 /nfs/dbraw/zinc/58/86/85/432588685.db2.gz BOZYHQSNMVKLER-ZYHUDNBSSA-N 1 0 311.788 3.180 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cccc2OC)[C@H](C)C1 ZINC000194985939 432592070 /nfs/dbraw/zinc/59/20/70/432592070.db2.gz ZXJINFKRSNLJOT-HUUCEWRRSA-N 1 0 319.449 3.198 10 0 DGAERO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CCC(CO)CC1 ZINC000156252842 432592627 /nfs/dbraw/zinc/59/26/27/432592627.db2.gz DMTNVZRTHRCHFJ-UHFFFAOYSA-N 1 0 318.392 3.464 10 0 DGAERO CC(C)c1nnc(CN(C)CCOc2cccc(Cl)c2)n1C ZINC000195038682 432596878 /nfs/dbraw/zinc/59/68/78/432596878.db2.gz SYJWHPPEKCJJKR-UHFFFAOYSA-N 1 0 322.840 3.103 10 0 DGAERO CC[C@@H]1c2ccsc2CCN1Cc1nnc(C2CC2)n1C ZINC000195075314 432600603 /nfs/dbraw/zinc/60/06/03/432600603.db2.gz XDVJVDQYXTWLEK-CYBMUJFWSA-N 1 0 302.447 3.263 10 0 DGAERO C[C@H]([N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C1(C)CC1 ZINC000177245862 432601973 /nfs/dbraw/zinc/60/19/73/432601973.db2.gz TZCKUWMDVVOPDJ-JTQLQIEISA-N 1 0 317.458 3.094 10 0 DGAERO Cc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000177256092 432604076 /nfs/dbraw/zinc/60/40/76/432604076.db2.gz OXFBIYDMOMYOMI-INIZCTEOSA-N 1 0 323.440 3.345 10 0 DGAERO CCC[N@H+](Cc1nnnn1C(C)C)[C@@H]1CCc2ccccc2C1 ZINC000195108200 432604156 /nfs/dbraw/zinc/60/41/56/432604156.db2.gz VFEZPXDGRRSWAI-QGZVFWFLSA-N 1 0 313.449 3.024 10 0 DGAERO CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cc(F)ccc2F)CC1 ZINC000195464419 432623291 /nfs/dbraw/zinc/62/32/91/432623291.db2.gz ASHBGVQNGBVQQW-CYBMUJFWSA-N 1 0 324.415 3.338 10 0 DGAERO C[C@@](O)(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccccc1 ZINC000186699476 432623576 /nfs/dbraw/zinc/62/35/76/432623576.db2.gz QQNBRCHMJCTQCK-WOJBJXKFSA-N 1 0 309.409 3.026 10 0 DGAERO CCSc1ccc(Cl)cc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000177439846 432624838 /nfs/dbraw/zinc/62/48/38/432624838.db2.gz VPMBVOQPQWVVDQ-LBPRGKRZSA-N 1 0 312.866 3.276 10 0 DGAERO COC(=O)c1ccccc1CC[NH+]1CCC(OCC(C)C)CC1 ZINC000186716682 432625774 /nfs/dbraw/zinc/62/57/74/432625774.db2.gz XDGNSVUZHMAOLE-UHFFFAOYSA-N 1 0 319.445 3.153 10 0 DGAERO O=C(N1CCC[N@@H+](C2CC2)CC1)C1(Cc2ccccc2)CCC1 ZINC000177469609 432628257 /nfs/dbraw/zinc/62/82/57/432628257.db2.gz MDCSGUFEEPVUPN-UHFFFAOYSA-N 1 0 312.457 3.096 10 0 DGAERO C[N@H+](Cc1ccc(Br)cc1Cl)CC1(CO)CC1 ZINC000186765716 432628303 /nfs/dbraw/zinc/62/83/03/432628303.db2.gz BBMROFPWTQOCHN-UHFFFAOYSA-N 1 0 318.642 3.307 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)NCC(C)(C)C[NH+](C)C ZINC000157790041 432629258 /nfs/dbraw/zinc/62/92/58/432629258.db2.gz ALBTXROSEBMNGZ-UHFFFAOYSA-N 1 0 301.434 3.102 10 0 DGAERO CC(C)(C)OC(=O)NCCN1CCCC[C@H]1c1nccs1 ZINC000177488833 432629426 /nfs/dbraw/zinc/62/94/26/432629426.db2.gz VTUJKRWPUXEKKY-LBPRGKRZSA-N 1 0 311.451 3.195 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)ccc1F ZINC000177501318 432630513 /nfs/dbraw/zinc/63/05/13/432630513.db2.gz FVUZUOPFUDEANQ-CHWSQXEVSA-N 1 0 309.360 3.055 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000177547823 432637028 /nfs/dbraw/zinc/63/70/28/432637028.db2.gz YRLJSQFLNAAKOH-GJZGRUSLSA-N 1 0 323.506 3.052 10 0 DGAERO Cc1ccc([C@@H]([NH2+]C[C@@H](C)N2CCOCC2)C2CCC2)cc1 ZINC000186966549 432639064 /nfs/dbraw/zinc/63/90/64/432639064.db2.gz ZAHDVYKXQOBLPG-APWZRJJASA-N 1 0 302.462 3.147 10 0 DGAERO C[NH+](C)C1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000187004256 432640838 /nfs/dbraw/zinc/64/08/38/432640838.db2.gz HTVBRBASTGBXLW-UHFFFAOYSA-N 1 0 311.376 3.356 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000211927956 432640985 /nfs/dbraw/zinc/64/09/85/432640985.db2.gz HFQGSIUTGMULRH-LLVKDONJSA-N 1 0 304.312 3.230 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C(C)(F)F)c2)C1 ZINC000187032245 432643648 /nfs/dbraw/zinc/64/36/48/432643648.db2.gz GTOFKTADMVBBBX-LBPRGKRZSA-N 1 0 311.376 3.262 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)COCc1ccccc1OC ZINC000157329136 432618854 /nfs/dbraw/zinc/61/88/54/432618854.db2.gz VMEUFTPHZNSPRC-MSOLQXFVSA-N 1 0 321.461 3.227 10 0 DGAERO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000216375181 432650631 /nfs/dbraw/zinc/65/06/31/432650631.db2.gz KIYFKCAABLJBJT-XYPHTWIQSA-N 1 0 311.853 3.386 10 0 DGAERO CCC[N@H+](CC)CCNCc1ccc(Br)c(F)c1 ZINC000217855990 432656772 /nfs/dbraw/zinc/65/67/72/432656772.db2.gz RUZJITGMSPNKNZ-UHFFFAOYSA-N 1 0 317.246 3.410 10 0 DGAERO O=C(Nc1nc([C@H]2CCC[NH2+]C2)cs1)Nc1ccccc1 ZINC000219198951 432661667 /nfs/dbraw/zinc/66/16/67/432661667.db2.gz BEWKXFVOFTWZDE-NSHDSACASA-N 1 0 302.403 3.254 10 0 DGAERO COCc1ccccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158937367 432662765 /nfs/dbraw/zinc/66/27/65/432662765.db2.gz DQGNGRPJGHVTBC-UHFFFAOYSA-N 1 0 319.449 3.075 10 0 DGAERO C[C@@H]1CCCCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000187935504 432694057 /nfs/dbraw/zinc/69/40/57/432694057.db2.gz HORXUCCSSOXXOX-LLVKDONJSA-N 1 0 317.458 3.095 10 0 DGAERO COCCC[C@H](C)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000178146368 432698522 /nfs/dbraw/zinc/69/85/22/432698522.db2.gz FUHAGRIQGJPGDP-PKOBYXMFSA-N 1 0 304.478 3.446 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccncc1 ZINC000225811568 432699588 /nfs/dbraw/zinc/69/95/88/432699588.db2.gz RKWYDIBEUOLXNF-UHFFFAOYSA-N 1 0 307.438 3.255 10 0 DGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)CC2)cc1 ZINC000188026245 432700899 /nfs/dbraw/zinc/70/08/99/432700899.db2.gz CQJFELNBXHKCKX-YCPHGPKFSA-N 1 0 324.490 3.214 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1C ZINC000178191150 432704788 /nfs/dbraw/zinc/70/47/88/432704788.db2.gz CTWWMQVEHDTTCI-SJORKVTESA-N 1 0 310.445 3.413 10 0 DGAERO COC[C@@H](C)C[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000188162600 432709516 /nfs/dbraw/zinc/70/95/16/432709516.db2.gz LYOYLHLNBCSNNL-NSHDSACASA-N 1 0 320.355 3.130 10 0 DGAERO COC[C@H]([NH2+]Cc1ccccc1OC1CCC1)C1CCOCC1 ZINC000188206105 432710838 /nfs/dbraw/zinc/71/08/38/432710838.db2.gz GEHMUWZWVBHUMP-SFHVURJKSA-N 1 0 319.445 3.149 10 0 DGAERO CCn1ccnc1C[NH2+]C(CC)(CC)CNC(=O)OC(C)(C)C ZINC000227633669 432712948 /nfs/dbraw/zinc/71/29/48/432712948.db2.gz OWMDHPHWYIPNAA-UHFFFAOYSA-N 1 0 324.469 3.076 10 0 DGAERO CN(CCC[NH2+][C@H]1CCc2c1cccc2O)C(=O)OC(C)(C)C ZINC000227610436 432713448 /nfs/dbraw/zinc/71/34/48/432713448.db2.gz BZHPVPYBBFTLEF-HNNXBMFYSA-N 1 0 320.433 3.226 10 0 DGAERO COC[C@@H](C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)OC ZINC000227713445 432713725 /nfs/dbraw/zinc/71/37/25/432713725.db2.gz GUIUGYWPXYNTGM-DTWKUNHWSA-N 1 0 310.196 3.445 10 0 DGAERO CCn1cncc1C[NH2+]C(CC)(CC)CNC(=O)OC(C)(C)C ZINC000227741009 432715983 /nfs/dbraw/zinc/71/59/83/432715983.db2.gz RPZSAFNVXCAYSY-UHFFFAOYSA-N 1 0 324.469 3.076 10 0 DGAERO Cc1cnn(CCCCC[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178310020 432718106 /nfs/dbraw/zinc/71/81/06/432718106.db2.gz ZFYXETXRHBWHGK-GOSISDBHSA-N 1 0 315.465 3.031 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1C ZINC000178309499 432718637 /nfs/dbraw/zinc/71/86/37/432718637.db2.gz GVSPVUVRIUFOEA-SFHVURJKSA-N 1 0 313.445 3.433 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)ccc1OC(C)C ZINC000188330051 432718949 /nfs/dbraw/zinc/71/89/49/432718949.db2.gz USDABHSBQLMEPP-KDOFPFPSSA-N 1 0 307.434 3.339 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncc(Br)cc1C ZINC000228322422 432718972 /nfs/dbraw/zinc/71/89/72/432718972.db2.gz CYWAMNQBKWZHQB-ZDUSSCGKSA-N 1 0 312.255 3.073 10 0 DGAERO COC[C@@H](C)CNc1cccc(C[NH+]2CCSCC2)c1C ZINC000187584981 432670951 /nfs/dbraw/zinc/67/09/51/432670951.db2.gz UACYUSAXXYFTIQ-AWEZNQCLSA-N 1 0 308.491 3.238 10 0 DGAERO CCOC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000223009266 432673974 /nfs/dbraw/zinc/67/39/74/432673974.db2.gz JCQFAVVBERIBSI-RRFJBIMHSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@@H]2CCCOC2)nnn1-c1cccc(Cl)c1 ZINC000177927136 432674564 /nfs/dbraw/zinc/67/45/64/432674564.db2.gz MRAAGCCOWZSVGN-SMDDNHRTSA-N 1 0 320.824 3.059 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000159236992 432675647 /nfs/dbraw/zinc/67/56/47/432675647.db2.gz CQIBYWXFZQNQHJ-QAPCUYQASA-N 1 0 309.413 3.471 10 0 DGAERO Fc1cc(F)c2nccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000159222436 432677030 /nfs/dbraw/zinc/67/70/30/432677030.db2.gz ZQXRVMGZEUAWMC-CYBMUJFWSA-N 1 0 303.356 3.188 10 0 DGAERO COC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000187715818 432679849 /nfs/dbraw/zinc/67/98/49/432679849.db2.gz NNHJITQZQHUHCN-OAHLLOKOSA-N 1 0 317.351 3.237 10 0 DGAERO Cc1nc2ccccc2nc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000187775223 432682840 /nfs/dbraw/zinc/68/28/40/432682840.db2.gz GSTMZVNSAPVMEB-PKOBYXMFSA-N 1 0 321.428 3.408 10 0 DGAERO CC[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(F)ccc1F ZINC000178020862 432684897 /nfs/dbraw/zinc/68/48/97/432684897.db2.gz VYCKARKHILJOBK-KRWDZBQOSA-N 1 0 318.367 3.436 10 0 DGAERO Cn1cc([C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)c2cccc(F)c2)cn1 ZINC000187862443 432690777 /nfs/dbraw/zinc/69/07/77/432690777.db2.gz FEDRZSULQVCAGB-DLBZAZTESA-N 1 0 317.408 3.196 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cccc(N)c2)cc1 ZINC000178845913 432782021 /nfs/dbraw/zinc/78/20/21/432782021.db2.gz XRWSIMRFPFWDAO-CYBMUJFWSA-N 1 0 320.396 3.254 10 0 DGAERO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnc(CC(C)C)s2)cc1 ZINC000188981055 432757776 /nfs/dbraw/zinc/75/77/76/432757776.db2.gz NPUXORWYMWMLLO-MRXNPFEDSA-N 1 0 318.486 3.343 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000236705125 432758229 /nfs/dbraw/zinc/75/82/29/432758229.db2.gz CIUUFBOFXHGUMT-WJDWOHSUSA-N 1 0 304.397 3.460 10 0 DGAERO CC(C)Oc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000236712790 432759418 /nfs/dbraw/zinc/75/94/18/432759418.db2.gz KEUIPARMOWXVPU-UHFFFAOYSA-N 1 0 318.461 3.210 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000189046697 432759990 /nfs/dbraw/zinc/75/99/90/432759990.db2.gz VLUTXDAIIDOQNB-UHFFFAOYSA-N 1 0 321.465 3.032 10 0 DGAERO CC(C)[C@H]([NH3+])C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000236720964 432760200 /nfs/dbraw/zinc/76/02/00/432760200.db2.gz GHBSGWPKMQEMRV-AWEZNQCLSA-N 1 0 323.506 3.130 10 0 DGAERO CCC(CC)c1cc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000236728328 432761395 /nfs/dbraw/zinc/76/13/95/432761395.db2.gz WBXCLIIFUJCVRI-KMFMINBZSA-N 1 0 319.449 3.115 10 0 DGAERO CCC[C@H](C(=O)N[C@@H](C)Cc1nc2ccccc2s1)[NH+](C)C ZINC000178662782 432763480 /nfs/dbraw/zinc/76/34/80/432763480.db2.gz UDSWLBZIXVIDDT-GXTWGEPZSA-N 1 0 319.474 3.074 10 0 DGAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000178719997 432770365 /nfs/dbraw/zinc/77/03/65/432770365.db2.gz MLUNEJMPRBHUNU-VXGBXAGGSA-N 1 0 303.454 3.400 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000178731714 432771297 /nfs/dbraw/zinc/77/12/97/432771297.db2.gz WBPKXENJCPGLPZ-INIZCTEOSA-N 1 0 323.868 3.309 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@@H]1C ZINC000189259311 432773941 /nfs/dbraw/zinc/77/39/41/432773941.db2.gz NHKVHCGPVPWVPF-WFASDCNBSA-N 1 0 317.351 3.485 10 0 DGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CC(C)(C)c4ccccc43)C2)cn1 ZINC000178826554 432780934 /nfs/dbraw/zinc/78/09/34/432780934.db2.gz KIVTTXVVKXRHEK-BEFAXECRSA-N 1 0 324.472 3.401 10 0 DGAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)o1 ZINC000275546101 432727921 /nfs/dbraw/zinc/72/79/21/432727921.db2.gz MXVXYNCQDKWJJF-QEWYBTABSA-N 1 0 315.417 3.146 10 0 DGAERO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Cl)cc1Br ZINC000160620043 432732575 /nfs/dbraw/zinc/73/25/75/432732575.db2.gz LUWBRMUAMWARQI-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO CCCn1c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc2ccccc21 ZINC000188591568 432733196 /nfs/dbraw/zinc/73/31/96/432733196.db2.gz VAYIJKIURCINKR-GASCZTMLSA-N 1 0 313.445 3.216 10 0 DGAERO CCCn1c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc2ccccc21 ZINC000188591613 432733570 /nfs/dbraw/zinc/73/35/70/432733570.db2.gz VAYIJKIURCINKR-HUUCEWRRSA-N 1 0 313.445 3.216 10 0 DGAERO CCc1cnc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)s1 ZINC000187375751 288604528 /nfs/dbraw/zinc/60/45/28/288604528.db2.gz XLYLTJVCAGFEGY-GFCCVEGCSA-N 1 0 310.467 3.092 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000178446508 432737854 /nfs/dbraw/zinc/73/78/54/432737854.db2.gz OODFOMQTPOCRSG-YGRLFVJLSA-N 1 0 306.431 3.153 10 0 DGAERO CSC1(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)CCC1 ZINC000235154730 432742915 /nfs/dbraw/zinc/74/29/15/432742915.db2.gz SLHFHWYDJZUGEI-CYBMUJFWSA-N 1 0 301.521 3.307 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Br)c(F)c1 ZINC000161493864 432781932 /nfs/dbraw/zinc/78/19/32/432781932.db2.gz KFDKGPNTLKZYKR-QMTHXVAHSA-N 1 0 315.230 3.290 10 0 DGAERO C[C@H]1C[C@@H](c2nc(-c3cccc(Br)c3)no2)CC[NH2+]1 ZINC000235724472 432744956 /nfs/dbraw/zinc/74/49/56/432744956.db2.gz ZUTPVNWXHMLLAX-ONGXEEELSA-N 1 0 322.206 3.355 10 0 DGAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000235588758 432744998 /nfs/dbraw/zinc/74/49/98/432744998.db2.gz SGMFXFYHEPNAGD-PELKAZGASA-N 1 0 304.615 3.370 10 0 DGAERO CCC[C@H](C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000162303125 432820155 /nfs/dbraw/zinc/82/01/55/432820155.db2.gz ZHTSUMYUUFCHHE-KBAYOESNSA-N 1 0 302.462 3.369 10 0 DGAERO NC(=O)[C@H]([NH2+]CCC1=CCCC1)c1cccc(Br)c1 ZINC000162303250 432820454 /nfs/dbraw/zinc/82/04/54/432820454.db2.gz KSFPMZPGNYHYCP-CQSZACIVSA-N 1 0 323.234 3.066 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000245415151 432828033 /nfs/dbraw/zinc/82/80/33/432828033.db2.gz FPKSXZIIGUUFSW-AEFFLSMTSA-N 1 0 317.477 3.052 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000245430458 432829964 /nfs/dbraw/zinc/82/99/64/432829964.db2.gz LVSDVCKTGKURSM-IXDOHACOSA-N 1 0 320.864 3.386 10 0 DGAERO CC[C@]1(C)CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245433962 432830303 /nfs/dbraw/zinc/83/03/03/432830303.db2.gz CANSEIMXHXAYKF-UKRRQHHQSA-N 1 0 320.399 3.299 10 0 DGAERO O=C(NCCC1=CCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000162826918 432835373 /nfs/dbraw/zinc/83/53/73/432835373.db2.gz KMWAXMXJICZZNM-INIZCTEOSA-N 1 0 317.433 3.216 10 0 DGAERO CC[C@@H](C)C[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245498194 432838075 /nfs/dbraw/zinc/83/80/75/432838075.db2.gz VPNJQQUTHCYTBF-VQHPVUNQSA-N 1 0 309.498 3.468 10 0 DGAERO CCC(CC)(CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000161516413 432783084 /nfs/dbraw/zinc/78/30/84/432783084.db2.gz QAUNVJPFHOLAMF-NVXWUHKLSA-N 1 0 302.462 3.378 10 0 DGAERO CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc(Cl)c1F ZINC000161531247 432784525 /nfs/dbraw/zinc/78/45/25/432784525.db2.gz XGHIZDGWMSETMF-WFASDCNBSA-N 1 0 314.832 3.241 10 0 DGAERO CCCN(C(=O)c1sc(C2CCCC2)nc1C)[C@H]1CC[NH2+]C1 ZINC000178928916 432789335 /nfs/dbraw/zinc/78/93/35/432789335.db2.gz QLUIIQIIQHEYRP-AWEZNQCLSA-N 1 0 321.490 3.323 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000179014317 432796698 /nfs/dbraw/zinc/79/66/98/432796698.db2.gz JXFMIORKDUYYMQ-IRXDYDNUSA-N 1 0 313.376 3.393 10 0 DGAERO CC[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc(Cl)c1F ZINC000161772053 432797306 /nfs/dbraw/zinc/79/73/06/432797306.db2.gz XEUBBSZJRCVZDY-ZBFHGGJFSA-N 1 0 315.816 3.309 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000237878380 432802684 /nfs/dbraw/zinc/80/26/84/432802684.db2.gz IROLSHRIUQCVTC-BQFCYCMXSA-N 1 0 300.446 3.130 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCCCC2)C1 ZINC000237938738 432805708 /nfs/dbraw/zinc/80/57/08/432805708.db2.gz TUZDOQOZTBNATP-RHSMWYFYSA-N 1 0 318.436 3.271 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245518448 432838838 /nfs/dbraw/zinc/83/88/38/432838838.db2.gz AREPWDJTFLZWPW-YCPHGPKFSA-N 1 0 320.864 3.214 10 0 DGAERO C[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)CS(C)(=O)=O ZINC000162053219 432810154 /nfs/dbraw/zinc/81/01/54/432810154.db2.gz KAZVAXXQYWKMFR-OAHLLOKOSA-N 1 0 317.454 3.046 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000245746996 432860194 /nfs/dbraw/zinc/86/01/94/432860194.db2.gz MZTHOLOMDSJABE-YJBOKZPZSA-N 1 0 312.461 3.300 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000245752493 432860746 /nfs/dbraw/zinc/86/07/46/432860746.db2.gz OCPAJLJWJKGCRK-YPMHNXCESA-N 1 0 314.351 3.096 10 0 DGAERO Cc1ccc2cccc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c2n1 ZINC000245753042 432861472 /nfs/dbraw/zinc/86/14/72/432861472.db2.gz HHWKGWGBACNTQB-GDBMZVCRSA-N 1 0 324.428 3.244 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nc(CC)nc32)C12CCCC2 ZINC000245853313 432865250 /nfs/dbraw/zinc/86/52/50/432865250.db2.gz GQJVHDBIHRQMSR-RRFJBIMHSA-N 1 0 318.465 3.003 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H]2CCCO[C@H]21 ZINC000245844757 432865356 /nfs/dbraw/zinc/86/53/56/432865356.db2.gz FIWWWAXWZYHTEV-KBAYOESNSA-N 1 0 316.445 3.164 10 0 DGAERO Fc1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000245840686 432865443 /nfs/dbraw/zinc/86/54/43/432865443.db2.gz HTEITEFRNYEVJA-LSDHHAIUSA-N 1 0 313.413 3.451 10 0 DGAERO CC(C)Oc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000245861550 432866625 /nfs/dbraw/zinc/86/66/25/432866625.db2.gz HXJYKLVTGVUEMJ-USXIJHARSA-N 1 0 304.434 3.162 10 0 DGAERO CN(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(F)cc1 ZINC000245882959 432866904 /nfs/dbraw/zinc/86/69/04/432866904.db2.gz LCVVKNHUOXUCJM-BSDSXHPESA-N 1 0 320.452 3.222 10 0 DGAERO CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)c2nnc3n2CCCC3)C1(C)C ZINC000245878809 432867590 /nfs/dbraw/zinc/86/75/90/432867590.db2.gz KOAPPPQFYBYCFW-QLFBSQMISA-N 1 0 320.481 3.249 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(OC)c2)C12CCCC2 ZINC000245911091 432869013 /nfs/dbraw/zinc/86/90/13/432869013.db2.gz PHGHZQOMNSSMQK-FGTMMUONSA-N 1 0 319.445 3.056 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245912307 432869251 /nfs/dbraw/zinc/86/92/51/432869251.db2.gz JPNJTMOKMOERTA-PWIZWCRZSA-N 1 0 320.436 3.250 10 0 DGAERO Cc1c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccccc1F ZINC000245942053 432871184 /nfs/dbraw/zinc/87/11/84/432871184.db2.gz JXUIIBFLMKZGQS-JSGCOSHPSA-N 1 0 302.397 3.214 10 0 DGAERO COc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245948728 432872087 /nfs/dbraw/zinc/87/20/87/432872087.db2.gz WMFWGWAIPMDFSD-IRXDYDNUSA-N 1 0 302.462 3.216 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)ccc2F)[C@@H](C)C1 ZINC000246011623 432874350 /nfs/dbraw/zinc/87/43/50/432874350.db2.gz LFBDMRXSUCPWMD-BLLLJJGKSA-N 1 0 323.412 3.028 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000246021192 432874681 /nfs/dbraw/zinc/87/46/81/432874681.db2.gz MLNACTUXVATYEO-XJKSGUPXSA-N 1 0 323.868 3.212 10 0 DGAERO FC(F)COc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000245538307 432839748 /nfs/dbraw/zinc/83/97/48/432839748.db2.gz JTUKHWWENHALAC-HZPDHXFCSA-N 1 0 311.372 3.474 10 0 DGAERO CC[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000245537534 432840088 /nfs/dbraw/zinc/84/00/88/432840088.db2.gz GNGNOWSAUQYVEH-VHSSKADRSA-N 1 0 316.445 3.135 10 0 DGAERO Cc1cccc(-c2n[nH]cc2CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000245559290 432845177 /nfs/dbraw/zinc/84/51/77/432845177.db2.gz LTTYHUQOVQIMAS-SFHVURJKSA-N 1 0 310.445 3.055 10 0 DGAERO CCO[C@H](C)c1nc(CN(C)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC000245572661 432846246 /nfs/dbraw/zinc/84/62/46/432846246.db2.gz GYWNFRKRDYRZKS-UKRRQHHQSA-N 1 0 311.495 3.157 10 0 DGAERO C1=CC[C@@H](C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)CC1 ZINC000245571021 432846893 /nfs/dbraw/zinc/84/68/93/432846893.db2.gz XEXQASUNAZPESX-CVEARBPZSA-N 1 0 300.450 3.498 10 0 DGAERO Cc1ncccc1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163362033 432850939 /nfs/dbraw/zinc/85/09/39/432850939.db2.gz YVRBLFSFQJAUAV-HXUWFJFHSA-N 1 0 323.440 3.175 10 0 DGAERO C[C@H](CCCc1ccccc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245636623 432851612 /nfs/dbraw/zinc/85/16/12/432851612.db2.gz CEMUECHZWLMEOX-AOIWGVFYSA-N 1 0 314.473 3.341 10 0 DGAERO CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245630176 432852151 /nfs/dbraw/zinc/85/21/51/432852151.db2.gz SEZVOFMKQIUPSB-XJKSGUPXSA-N 1 0 317.433 3.144 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000245656593 432853438 /nfs/dbraw/zinc/85/34/38/432853438.db2.gz CPDFQJWRAHIASL-JQHSSLGASA-N 1 0 315.461 3.324 10 0 DGAERO Cc1cccc(C2([NH2+]C[C@H](C)CS(C)(=O)=O)CCCC2)c1 ZINC000163482214 432853567 /nfs/dbraw/zinc/85/35/67/432853567.db2.gz QZLREVFQNFKQIW-HNNXBMFYSA-N 1 0 309.475 3.035 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC=CCC2)[C@H]1c1ccccc1 ZINC000245673522 432854130 /nfs/dbraw/zinc/85/41/30/432854130.db2.gz SPLIEMRYOCEJHX-BPQIPLTHSA-N 1 0 313.445 3.087 10 0 DGAERO COc1ccc2oc(C[NH2+][C@@H]3CN(C(C)C)C[C@H]3C)cc2c1 ZINC000245661575 432854674 /nfs/dbraw/zinc/85/46/74/432854674.db2.gz HRKHMAVILPLOQF-CXAGYDPISA-N 1 0 302.418 3.260 10 0 DGAERO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(OC)c1 ZINC000245705217 432856350 /nfs/dbraw/zinc/85/63/50/432856350.db2.gz DYZDKUAKIINSCV-SJORKVTESA-N 1 0 318.461 3.151 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)c1c(F)cccc1F ZINC000245713188 432858408 /nfs/dbraw/zinc/85/84/08/432858408.db2.gz UFVORTINKYSUQV-MCIONIFRSA-N 1 0 322.399 3.154 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(-c2cccnc2)c1 ZINC000245728790 432858772 /nfs/dbraw/zinc/85/87/72/432858772.db2.gz JJNVOTDLYRKWTD-JXFKEZNVSA-N 1 0 307.441 3.417 10 0 DGAERO CC(=O)CCC(C)(C)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000349511238 432970233 /nfs/dbraw/zinc/97/02/33/432970233.db2.gz VAWRXVWYJUZPHJ-UHFFFAOYSA-N 1 0 315.417 3.445 10 0 DGAERO Cc1cc(CCCC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c(C)s1 ZINC000155099323 292698843 /nfs/dbraw/zinc/69/88/43/292698843.db2.gz RDGNSCLZHQHEOT-STQMWFEESA-N 1 0 308.491 3.239 10 0 DGAERO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H](C)C[C@H](C)C1)CCC2 ZINC000332690613 433013149 /nfs/dbraw/zinc/01/31/49/433013149.db2.gz SBHOEDZHXJVMBU-YCPHGPKFSA-N 1 0 318.465 3.147 10 0 DGAERO Cc1nc2ccc(NC(=O)N(C)[C@H]3CCC[NH2+]CC3)cc2s1 ZINC000333168862 433036772 /nfs/dbraw/zinc/03/67/72/433036772.db2.gz PHOLEXJAHUAFMB-ZDUSSCGKSA-N 1 0 318.446 3.211 10 0 DGAERO Cc1ccc2cccc(NC(=O)N3CCC4(CC[NH2+]C4)CC3)c2n1 ZINC000333154733 433036886 /nfs/dbraw/zinc/03/68/86/433036886.db2.gz MWRAABQJSOBZPW-UHFFFAOYSA-N 1 0 324.428 3.151 10 0 DGAERO O=C(Nc1cccc2cccnc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333201633 433039104 /nfs/dbraw/zinc/03/91/04/433039104.db2.gz XYCQNWHQXSOCLW-INIZCTEOSA-N 1 0 324.428 3.231 10 0 DGAERO CN(C(=O)Nc1nc2c(s1)CCCCC2)[C@H]1CCC[NH2+]CC1 ZINC000333200450 433039361 /nfs/dbraw/zinc/03/93/61/433039361.db2.gz XOQBDSOXXKEMDK-LBPRGKRZSA-N 1 0 322.478 3.018 10 0 DGAERO CCCc1csc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000333191044 433039834 /nfs/dbraw/zinc/03/98/34/433039834.db2.gz VBLBXUNYNHOFHU-AWEZNQCLSA-N 1 0 322.478 3.092 10 0 DGAERO C[C@@H]1c2cccc(Br)c2CCN1C[C@@H]1CCC[NH2+]C1 ZINC000261825133 289072717 /nfs/dbraw/zinc/07/27/17/289072717.db2.gz IPHHCXBFATXVCP-CHWSQXEVSA-N 1 0 323.278 3.368 10 0 DGAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000333303599 433046783 /nfs/dbraw/zinc/04/67/83/433046783.db2.gz KPXPLEBJAHAGFJ-SWLSCSKDSA-N 1 0 302.422 3.083 10 0 DGAERO c1ccc([C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]2CCOC2)cc1 ZINC000372898487 433056317 /nfs/dbraw/zinc/05/63/17/433056317.db2.gz VISSPGISNXVKOE-OALUTQOASA-N 1 0 302.462 3.230 10 0 DGAERO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC000372935932 433062260 /nfs/dbraw/zinc/06/22/60/433062260.db2.gz LTRYYSFZMOQTBK-HNNXBMFYSA-N 1 0 318.465 3.014 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1)N1CCOCC1 ZINC000156745930 292734453 /nfs/dbraw/zinc/73/44/53/292734453.db2.gz ZITXQZZAPDQWME-HOTGVXAUSA-N 1 0 320.477 3.235 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCCC12CCC2)c1ccco1 ZINC000373105173 433092789 /nfs/dbraw/zinc/09/27/89/433092789.db2.gz VMKBRACBYLXODE-OAHLLOKOSA-N 1 0 319.449 3.391 10 0 DGAERO CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCC([NH3+])CC2)c2ccccc21 ZINC000333719220 433093635 /nfs/dbraw/zinc/09/36/35/433093635.db2.gz GKAISBMXGWAIHO-KSSFIOAISA-N 1 0 315.461 3.046 10 0 DGAERO COc1cccc(C2=CC[N@H+](CCO[C@H]3CCCCO3)CC2)c1 ZINC000373118216 433097947 /nfs/dbraw/zinc/09/79/47/433097947.db2.gz OSHOIVYZPXVERU-IBGZPJMESA-N 1 0 317.429 3.328 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+]CCc1cc(F)ccc1F ZINC000157235429 292742097 /nfs/dbraw/zinc/74/20/97/292742097.db2.gz NGKISVOVOFWWNT-QGZVFWFLSA-N 1 0 305.368 3.355 10 0 DGAERO CCc1ncc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000453385484 433137850 /nfs/dbraw/zinc/13/78/50/433137850.db2.gz NLMOQMPNKNHLEZ-YJBOKZPZSA-N 1 0 313.445 3.237 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(Cl)cc(Cl)c1 ZINC000453387150 433143893 /nfs/dbraw/zinc/14/38/93/433143893.db2.gz AXUFLEOBKGKWEU-YMTOWFKASA-N 1 0 301.217 3.313 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)COCc2cccs2)c1 ZINC000157310298 292743744 /nfs/dbraw/zinc/74/37/44/292743744.db2.gz WWJFLMRQJZFXOQ-GDBMZVCRSA-N 1 0 305.443 3.285 10 0 DGAERO c1cc2c(cc1C[N@H+]1CCC[C@@H](C[C@@H]3CCOC3)C1)OCCO2 ZINC000373136280 433100697 /nfs/dbraw/zinc/10/06/97/433100697.db2.gz BQZLWEBISLSNHL-RDJZCZTQSA-N 1 0 317.429 3.096 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2c(F)cccc2F)CC1 ZINC000157643173 292749825 /nfs/dbraw/zinc/74/98/25/292749825.db2.gz RBYFOHQRJDRYOS-UHFFFAOYSA-N 1 0 311.376 3.208 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(C)cc2)CC1 ZINC000157785892 292752463 /nfs/dbraw/zinc/75/24/63/292752463.db2.gz QEBDTYAVULNVBK-INIZCTEOSA-N 1 0 317.477 3.477 10 0 DGAERO CS[C@H]1CC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000425366129 433206319 /nfs/dbraw/zinc/20/63/19/433206319.db2.gz ZNFNFSZZHXIIGR-STQMWFEESA-N 1 0 316.264 3.312 10 0 DGAERO c1ccc([C@@H]2C[C@@H]2[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000291067416 433221038 /nfs/dbraw/zinc/22/10/38/433221038.db2.gz DQUBRLRZWPVZNT-SQNIBIBYSA-N 1 0 318.424 3.465 10 0 DGAERO CCc1oc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1C ZINC000157912784 292755137 /nfs/dbraw/zinc/75/51/37/292755137.db2.gz YVVHBMASNCAPDN-LBPRGKRZSA-N 1 0 306.431 3.245 10 0 DGAERO CCOc1cccc(CC[NH2+][C@@H](C)c2cc(C(=O)OC)co2)c1 ZINC000447575743 433229906 /nfs/dbraw/zinc/22/99/06/433229906.db2.gz UWJXGWUHJCALAG-ZDUSSCGKSA-N 1 0 317.385 3.358 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)cn2)nc1 ZINC000425427095 433237263 /nfs/dbraw/zinc/23/72/63/433237263.db2.gz UEDBJNWLKOFMMJ-QFBILLFUSA-N 1 0 309.413 3.145 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)cn2)nc1 ZINC000425426148 433239880 /nfs/dbraw/zinc/23/98/80/433239880.db2.gz VJKIAQHTAGDNLZ-SJORKVTESA-N 1 0 309.413 3.002 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(Br)o1 ZINC000350728171 433270167 /nfs/dbraw/zinc/27/01/67/433270167.db2.gz GQTFZMVNMQCVGZ-VXGBXAGGSA-N 1 0 313.239 3.101 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2nc3cc(Cl)ccc3s2)C1 ZINC000454143938 433289443 /nfs/dbraw/zinc/28/94/43/433289443.db2.gz JIFBVKRRGXJDIC-JTQLQIEISA-N 1 0 323.849 3.021 10 0 DGAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000261929255 289767370 /nfs/dbraw/zinc/76/73/70/289767370.db2.gz YRYJNBOWEWERBA-GUYCJALGSA-N 1 0 310.397 3.031 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(C4(c5ccccc5)CC4)n3)cc12 ZINC000351042929 433354860 /nfs/dbraw/zinc/35/48/60/433354860.db2.gz CTCUXJOPOVBEGR-UHFFFAOYSA-N 1 0 302.337 3.464 10 0 DGAERO COc1cc(C)nc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c1 ZINC000299152826 433333421 /nfs/dbraw/zinc/33/34/21/433333421.db2.gz WZMBOFXPOBZKOL-OAHLLOKOSA-N 1 0 322.412 3.435 10 0 DGAERO c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@]23CCOC3)cc1 ZINC000421027501 433399138 /nfs/dbraw/zinc/39/91/38/433399138.db2.gz UZGUJYYQVPMVHF-HXUWFJFHSA-N 1 0 319.408 3.366 10 0 DGAERO c1ccc(COc2ccc(C[N@@H+]3CC[C@@]34CCOC4)cc2)nc1 ZINC000421030992 433400367 /nfs/dbraw/zinc/40/03/67/433400367.db2.gz ZIVXUVXJTHLJTL-IBGZPJMESA-N 1 0 310.397 3.025 10 0 DGAERO C[C@H]1CN(Cc2cncs2)CC[N@H+](Cc2ccccc2)C1 ZINC000448552083 433418341 /nfs/dbraw/zinc/41/83/41/433418341.db2.gz LFUXKXGLWJDCAP-OAHLLOKOSA-N 1 0 301.459 3.097 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000375304372 433421969 /nfs/dbraw/zinc/42/19/69/433421969.db2.gz SJYOWEIGTPBXOT-IBGZPJMESA-N 1 0 311.429 3.388 10 0 DGAERO c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000361890778 433438741 /nfs/dbraw/zinc/43/87/41/433438741.db2.gz VITDZBWLTWWBJH-YESZJQIVSA-N 1 0 313.445 3.221 10 0 DGAERO CC[N@H+](CCNc1ccc(-c2ccc(F)cc2)nn1)C(C)C ZINC000301167139 433442450 /nfs/dbraw/zinc/44/24/50/433442450.db2.gz ITJFDTVQIPOOIT-UHFFFAOYSA-N 1 0 302.397 3.425 10 0 DGAERO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(F)c1 ZINC000375409257 433453422 /nfs/dbraw/zinc/45/34/22/433453422.db2.gz RFDKLCMUOJGIMG-GFCCVEGCSA-N 1 0 305.328 3.215 10 0 DGAERO Fc1cc(F)cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375407143 433455442 /nfs/dbraw/zinc/45/54/42/433455442.db2.gz WAWBXNIUYPQLAB-LBPRGKRZSA-N 1 0 305.328 3.215 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(CO)c1 ZINC000245939295 290033223 /nfs/dbraw/zinc/03/32/23/290033223.db2.gz YLZMJAQTJUOXKH-LIRZEXBASA-N 1 0 301.430 3.177 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(C)c(OC(F)F)c1)[NH+](C)C ZINC000159039905 292783235 /nfs/dbraw/zinc/78/32/35/292783235.db2.gz QDRSPOQYYVVEAB-GFCCVEGCSA-N 1 0 300.349 3.265 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@H]1c1ccccc1 ZINC000248039542 290132740 /nfs/dbraw/zinc/13/27/40/290132740.db2.gz LTZJGMIAFVDPGD-HZPDHXFCSA-N 1 0 322.399 3.374 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC000339254963 433470618 /nfs/dbraw/zinc/47/06/18/433470618.db2.gz OAXPEIAPDYYBOF-QWHCGFSZSA-N 1 0 308.397 3.282 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000355138995 433484532 /nfs/dbraw/zinc/48/45/32/433484532.db2.gz UAGKSCVZYBOAEZ-ZWKOTPCHSA-N 1 0 301.430 3.476 10 0 DGAERO Cc1nsc(NC2CC[NH+](Cc3cccc(C)c3)CC2)n1 ZINC000301355956 433522396 /nfs/dbraw/zinc/52/23/96/433522396.db2.gz KNASWDPAACYFEK-UHFFFAOYSA-N 1 0 302.447 3.231 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000421389287 433534660 /nfs/dbraw/zinc/53/46/60/433534660.db2.gz LTYNVUMFZWZZIQ-SFHVURJKSA-N 1 0 310.445 3.339 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Sc1ccccc1 ZINC000362023755 433495986 /nfs/dbraw/zinc/49/59/86/433495986.db2.gz XGUARRAMVYLPNE-GOEBONIOSA-N 1 0 306.475 3.158 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCc1nc(C)n[nH]1 ZINC000342161159 433509718 /nfs/dbraw/zinc/50/97/18/433509718.db2.gz JALGNDBMRKNJJC-DHZHZOJOSA-N 1 0 324.350 3.368 10 0 DGAERO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ncc[nH]1 ZINC000375839911 433587079 /nfs/dbraw/zinc/58/70/79/433587079.db2.gz NVHSLNUFJGGQIH-KCQAQPDRSA-N 1 0 304.463 3.205 10 0 DGAERO c1c(C2CC2)[nH]nc1N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000426774481 433592070 /nfs/dbraw/zinc/59/20/70/433592070.db2.gz OTPDHVFIMQDLGQ-UHFFFAOYSA-N 1 0 322.456 3.098 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1Cl)[NH+](C)C ZINC000161898552 292843551 /nfs/dbraw/zinc/84/35/51/292843551.db2.gz DUABPZDRSYFFBA-HZMBPMFUSA-N 1 0 300.805 3.387 10 0 DGAERO CCc1ccc([C@@H]2CC[N@H+](Cc3nnc4n3CCCC4)C2)cc1 ZINC000293154026 433634499 /nfs/dbraw/zinc/63/44/99/433634499.db2.gz BVZUFSKCTIDADO-QGZVFWFLSA-N 1 0 310.445 3.166 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000293160131 433637119 /nfs/dbraw/zinc/63/71/19/433637119.db2.gz VOQZAIVUPPOBFT-ICSRJNTNSA-N 1 0 318.424 3.220 10 0 DGAERO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCNC(=O)c1ccccc1 ZINC000162513129 292855198 /nfs/dbraw/zinc/85/51/98/292855198.db2.gz BLASWBIVZFGADJ-GOSISDBHSA-N 1 0 324.424 3.228 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000163034459 292862422 /nfs/dbraw/zinc/86/24/22/292862422.db2.gz OKKDBYUUWDUFCE-HNNXBMFYSA-N 1 0 313.445 3.341 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000165264165 292878760 /nfs/dbraw/zinc/87/87/60/292878760.db2.gz PRBUITRLYCGLGU-HNNXBMFYSA-N 1 0 315.461 3.255 10 0 DGAERO C[C@@H]1C[C@@H](Nc2ncnc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000301585423 433622331 /nfs/dbraw/zinc/62/23/31/433622331.db2.gz VGPKVPWXJKEZSG-ZYHUDNBSSA-N 1 0 302.809 3.320 10 0 DGAERO C[C@H]1C[C@H](Nc2ncnc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000301585420 433622568 /nfs/dbraw/zinc/62/25/68/433622568.db2.gz VGPKVPWXJKEZSG-JQWIXIFHSA-N 1 0 302.809 3.320 10 0 DGAERO c1nc(C2CCC2)sc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000339503940 433625711 /nfs/dbraw/zinc/62/57/11/433625711.db2.gz JAXCXQVQLZKENW-UHFFFAOYSA-N 1 0 314.458 3.410 10 0 DGAERO Cc1ccncc1C[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000366278106 292931205 /nfs/dbraw/zinc/93/12/05/292931205.db2.gz IEFQEPHRZZLSQI-AWEZNQCLSA-N 1 0 308.385 3.333 10 0 DGAERO Cc1cc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000376068050 433654935 /nfs/dbraw/zinc/65/49/35/433654935.db2.gz OEGRVAJTFVUQLM-SJLPKXTDSA-N 1 0 313.445 3.026 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCS2)[C@@H]1c1cccs1 ZINC000362352320 433659719 /nfs/dbraw/zinc/65/97/19/433659719.db2.gz HTLRAMWNLZBSOZ-BPLDGKMQSA-N 1 0 324.515 3.143 10 0 DGAERO COc1ccc(NC(=O)CC[N@@H+]2CCC23CCC3)cc1Cl ZINC000362365030 433662943 /nfs/dbraw/zinc/66/29/43/433662943.db2.gz LXGPOFQLWAUZPG-UHFFFAOYSA-N 1 0 308.809 3.306 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCc1c(C)noc1C)CC2 ZINC000339627973 433691879 /nfs/dbraw/zinc/69/18/79/433691879.db2.gz ISYCUYVMJXMJFZ-UHFFFAOYSA-N 1 0 312.413 3.137 10 0 DGAERO CC1CC[NH+](C[C@H]2CCCN(Cc3ncc(C4CC4)o3)C2)CC1 ZINC000366890600 293000812 /nfs/dbraw/zinc/00/08/12/293000812.db2.gz ZSYBNXWNQBVIAT-MRXNPFEDSA-N 1 0 317.477 3.496 10 0 DGAERO O[C@H](CN1CCOc2cccc(F)c2C1)c1ccc(F)cc1F ZINC000366888180 293000892 /nfs/dbraw/zinc/00/08/92/293000892.db2.gz XLDOFSAIJPJQMN-MRXNPFEDSA-N 1 0 323.314 3.032 10 0 DGAERO c1csc(-c2cc(C[N@@H+]3CC[C@]4(C3)CCCOC4)no2)c1 ZINC000367052944 293017704 /nfs/dbraw/zinc/01/77/04/293017704.db2.gz CPDQEWBHAIEZNY-INIZCTEOSA-N 1 0 304.415 3.406 10 0 DGAERO c1csc(-c2cc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)no2)c1 ZINC000367052945 293017715 /nfs/dbraw/zinc/01/77/15/293017715.db2.gz CPDQEWBHAIEZNY-MRXNPFEDSA-N 1 0 304.415 3.406 10 0 DGAERO CO[C@H](C[NH+]1CCC(c2nccc(C)n2)CC1)c1ccccc1 ZINC000367127869 293028511 /nfs/dbraw/zinc/02/85/11/293028511.db2.gz VXIQRZBGAAFEDI-GOSISDBHSA-N 1 0 311.429 3.352 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@@H]3CCc4ccccc4OC3)o2)n[nH]1 ZINC000367163252 293032104 /nfs/dbraw/zinc/03/21/04/293032104.db2.gz BAEYINCGOKRHOS-CQSZACIVSA-N 1 0 309.369 3.153 10 0 DGAERO Cc1nocc1C[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000293316855 433698160 /nfs/dbraw/zinc/69/81/60/433698160.db2.gz QSCQLTCKBYFQGM-GOSISDBHSA-N 1 0 301.434 3.229 10 0 DGAERO c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000367294432 293049428 /nfs/dbraw/zinc/04/94/28/293049428.db2.gz KZXFMXNPGKPTCQ-LISAXSMJSA-N 1 0 301.430 3.348 10 0 DGAERO c1cn2c(cccc2C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)n1 ZINC000367398755 293067317 /nfs/dbraw/zinc/06/73/17/293067317.db2.gz AUVOLWINUYJPHP-QZTJIDSGSA-N 1 0 307.397 3.344 10 0 DGAERO c1ccc([C@H]2CC[C@H](C[NH2+]Cc3cccc4c3OCO4)O2)cc1 ZINC000342450680 433700056 /nfs/dbraw/zinc/70/00/56/433700056.db2.gz PIINGOMYRYCPPN-IAGOWNOFSA-N 1 0 311.381 3.425 10 0 DGAERO c1cc(-c2nc(C[NH2+][C@H]3CCc4nc[nH]c4C3)cs2)cs1 ZINC000368221532 293105887 /nfs/dbraw/zinc/10/58/87/293105887.db2.gz IKELQOFKIMAWQN-NSHDSACASA-N 1 0 316.455 3.242 10 0 DGAERO Cc1nccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000370673354 293184438 /nfs/dbraw/zinc/18/44/38/293184438.db2.gz MIRTYYLDJGHRAA-CQSZACIVSA-N 1 0 303.793 3.092 10 0 DGAERO Cc1csc(NC2CC[NH+](Cc3cnccc3C)CC2)n1 ZINC000371189312 293204020 /nfs/dbraw/zinc/20/40/20/293204020.db2.gz RPSROKKGNVZAPN-UHFFFAOYSA-N 1 0 302.447 3.231 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)CC(C)(F)F)[C@H]1c1cccs1 ZINC000373775960 293315283 /nfs/dbraw/zinc/31/52/83/293315283.db2.gz QVRMHVWYVGUWRR-RISCZKNCSA-N 1 0 316.417 3.293 10 0 DGAERO Brc1cccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374404675 293395896 /nfs/dbraw/zinc/39/58/96/293395896.db2.gz XKTYZVFYIPEPSX-UONOGXRCSA-N 1 0 310.235 3.308 10 0 DGAERO CC[C@@H](C)[NH+]1CCN(C(=O)CC/C=C\c2ccccc2)CC1 ZINC000456534207 433713837 /nfs/dbraw/zinc/71/38/37/433713837.db2.gz SHPJPTGBLLPCGV-CGICMKJESA-N 1 0 300.446 3.423 10 0 DGAERO c1cc2c(c(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)c1)OCO2 ZINC000376414999 433731679 /nfs/dbraw/zinc/73/16/79/433731679.db2.gz MYAAGTXYEAKTER-HRCADAONSA-N 1 0 303.402 3.100 10 0 DGAERO CCc1nc2sccc2c(N(C)C[C@@H]2CCC[N@H+]2CC)n1 ZINC000301829881 433742418 /nfs/dbraw/zinc/74/24/18/433742418.db2.gz HEMOJLNAVBUSQX-LBPRGKRZSA-N 1 0 304.463 3.174 10 0 DGAERO CCc1nc2sccc2c(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000301857692 433761608 /nfs/dbraw/zinc/76/16/08/433761608.db2.gz ZUPSYYWACPQRSE-AAEUAGOBSA-N 1 0 304.463 3.394 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)[C@@H](C)O1 ZINC000449155919 433723699 /nfs/dbraw/zinc/72/36/99/433723699.db2.gz CLYAARSUJQZPIR-LFYQSXPISA-N 1 0 308.491 3.287 10 0 DGAERO Cc1ccnc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000301894127 433782755 /nfs/dbraw/zinc/78/27/55/433782755.db2.gz WVCKCFLLWRZKHM-GJZGRUSLSA-N 1 0 302.809 3.296 10 0 DGAERO Cn1nccc1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293630634 433808978 /nfs/dbraw/zinc/80/89/78/433808978.db2.gz HNCIOBDPQUVMCF-SNVBAGLBSA-N 1 0 312.236 3.021 10 0 DGAERO c1ccc2c(c1)CO[C@]21CCC[N@@H+](CCC2CCOCC2)C1 ZINC000432804170 433831853 /nfs/dbraw/zinc/83/18/53/433831853.db2.gz KAUNFGWIDJGPDS-IBGZPJMESA-N 1 0 301.430 3.325 10 0 DGAERO c1c2c(nn1C1CCCC1)[C@@H]([NH2+]C[C@H]1CCCOC1)CCC2 ZINC000357031945 433835144 /nfs/dbraw/zinc/83/51/44/433835144.db2.gz WGWSBXSQMMVBKP-PBHICJAKSA-N 1 0 303.450 3.392 10 0 DGAERO FC(F)(F)c1cnc(N2CCC([NH+]3CCCC3)CC2)s1 ZINC000302770402 433855937 /nfs/dbraw/zinc/85/59/37/433855937.db2.gz MRVOUPVBZMCMIG-UHFFFAOYSA-N 1 0 305.369 3.227 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccco2)[C@@H]1c1cccs1 ZINC000362801441 433865092 /nfs/dbraw/zinc/86/50/92/433865092.db2.gz FLPJCLUQNXUFAN-SUMWQHHRSA-N 1 0 318.442 3.083 10 0 DGAERO c1ccc(COc2ccccc2CNCC[C@H]2CCC[NH2+]2)cc1 ZINC000414919368 433916195 /nfs/dbraw/zinc/91/61/95/433916195.db2.gz WYHZLHHBQYODPH-LJQANCHMSA-N 1 0 310.441 3.497 10 0 DGAERO CC1(C)CN(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCO1 ZINC000436243656 433916691 /nfs/dbraw/zinc/91/66/91/433916691.db2.gz XWVBLKLBEBKPFQ-ZWKOTPCHSA-N 1 0 302.462 3.023 10 0 DGAERO O=C(CC(F)(F)F)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000362957768 433928566 /nfs/dbraw/zinc/92/85/66/433928566.db2.gz KFHZHZZCNRKFTG-CYBMUJFWSA-N 1 0 306.372 3.053 10 0 DGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ncc(I)s1 ZINC000285419795 433942727 /nfs/dbraw/zinc/94/27/27/433942727.db2.gz BVNDCLOWNDKOIX-HTQZYQBOSA-N 1 0 322.215 3.026 10 0 DGAERO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000303560431 433949131 /nfs/dbraw/zinc/94/91/31/433949131.db2.gz AALARQFMFYZXHD-RTBURBONSA-N 1 0 305.462 3.322 10 0 DGAERO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1csc2ccccc12 ZINC000457071196 433967206 /nfs/dbraw/zinc/96/72/06/433967206.db2.gz HONGJTGRGJICKM-UHFFFAOYSA-N 1 0 316.470 3.434 10 0 DGAERO CC(C)c1nc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)no1 ZINC000363183965 433989382 /nfs/dbraw/zinc/98/93/82/433989382.db2.gz KHRQNJLVCIFMDT-MRXNPFEDSA-N 1 0 320.481 3.281 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2sccc2Br)C1 ZINC000304582866 434012889 /nfs/dbraw/zinc/01/28/89/434012889.db2.gz JZZPQUWULUISGD-UWVGGRQHSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)sc2Cl)CC[N@@H+]1C ZINC000357425795 434013113 /nfs/dbraw/zinc/01/31/13/434013113.db2.gz YHRQSXGCMJPCRY-SFYZADRCSA-N 1 0 307.246 3.267 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)sc2Cl)CC[N@@H+]1C ZINC000357425797 434014271 /nfs/dbraw/zinc/01/42/71/434014271.db2.gz YHRQSXGCMJPCRY-YUMQZZPRSA-N 1 0 307.246 3.267 10 0 DGAERO CSC(C)(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739450 293865634 /nfs/dbraw/zinc/86/56/34/293865634.db2.gz SJGSAOMPOZGWAD-CHWSQXEVSA-N 1 0 316.511 3.363 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400769772 293866670 /nfs/dbraw/zinc/86/66/70/293866670.db2.gz ZVOGNSYPKJOGIM-IHRRRGAJSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCn2ccnc21 ZINC000294276816 434068054 /nfs/dbraw/zinc/06/80/54/434068054.db2.gz YFSZNGGKLQDHKI-SMDDNHRTSA-N 1 0 320.234 3.311 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000450319577 434100583 /nfs/dbraw/zinc/10/05/83/434100583.db2.gz QZIYJEOXTBOJBD-FQEVSTJZSA-N 1 0 311.425 3.359 10 0 DGAERO CC(C)CN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000363556381 434084490 /nfs/dbraw/zinc/08/44/90/434084490.db2.gz BKHHGJXPGFVURK-GOEBONIOSA-N 1 0 323.506 3.428 10 0 DGAERO CC(C)(C)OCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000308514205 434091941 /nfs/dbraw/zinc/09/19/41/434091941.db2.gz RQXRPGSRLWROJL-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO CC(C)(C)OCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000308726677 434093128 /nfs/dbraw/zinc/09/31/28/434093128.db2.gz GVODHVWAKANZOV-CQSZACIVSA-N 1 0 314.470 3.038 10 0 DGAERO C(=C/c1ccccc1)\CC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000450240760 434049545 /nfs/dbraw/zinc/04/95/45/434049545.db2.gz HGLNWOITFXLMFP-BJMVGYQFSA-N 1 0 307.441 3.303 10 0 DGAERO CC(=O)c1nc(N2CCCC[C@H]([NH+]3CCCC3)C2)sc1C ZINC000450324481 434107169 /nfs/dbraw/zinc/10/71/69/434107169.db2.gz PHWRGYIXINFRRL-AWEZNQCLSA-N 1 0 307.463 3.109 10 0 DGAERO COC[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1Br ZINC000310249476 434109789 /nfs/dbraw/zinc/10/97/89/434109789.db2.gz JYAKEDJACQZYKV-JTQLQIEISA-N 1 0 304.203 3.303 10 0 DGAERO COC[C@@H](C)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000311221795 434112771 /nfs/dbraw/zinc/11/27/71/434112771.db2.gz PNGOBRWIFKRGNK-NSHDSACASA-N 1 0 316.239 3.172 10 0 DGAERO CC(C)[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](C)O ZINC000353405029 434114469 /nfs/dbraw/zinc/11/44/69/434114469.db2.gz NZFSFOVCQOQGPF-SNVBAGLBSA-N 1 0 304.203 3.179 10 0 DGAERO CC(C)COC[C@@H](O)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312764896 434118464 /nfs/dbraw/zinc/11/84/64/434118464.db2.gz RHDSXFJEXOMEBN-JTQLQIEISA-N 1 0 312.262 3.178 10 0 DGAERO C[C@@H]1COCCN1CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000499646166 294089355 /nfs/dbraw/zinc/08/93/55/294089355.db2.gz ZJVMAIXKPRMFBE-NEWSRXKRSA-N 1 0 302.462 3.023 10 0 DGAERO C[C@@H]([NH2+]CCc1cn(C)cn1)c1cccc(Br)c1 ZINC000313291421 434126474 /nfs/dbraw/zinc/12/64/74/434126474.db2.gz GQBZSCNGHVHAAD-LLVKDONJSA-N 1 0 308.223 3.076 10 0 DGAERO CC[C@@H]([NH2+]CCc1cn(C)cn1)c1cccc(Br)c1 ZINC000313266068 434126495 /nfs/dbraw/zinc/12/64/95/434126495.db2.gz PUHKNVGETJAXBR-OAHLLOKOSA-N 1 0 322.250 3.466 10 0 DGAERO C[N@H+](CCOc1ccccc1Cl)Cc1cnn2ccccc12 ZINC000506161172 294263791 /nfs/dbraw/zinc/26/37/91/294263791.db2.gz VLXJMYBCXFIIKQ-UHFFFAOYSA-N 1 0 315.804 3.499 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)NC1(c2ccccc2)CCCCC1 ZINC000506947832 294279091 /nfs/dbraw/zinc/27/90/91/294279091.db2.gz FDHZKOGOCOZAKG-KRWDZBQOSA-N 1 0 315.461 3.239 10 0 DGAERO CC[C@@H]1C[C@]1(NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(C)c1 ZINC000507298501 294293610 /nfs/dbraw/zinc/29/36/10/294293610.db2.gz UPAWLGPIJZTTLK-HHXXYDBFSA-N 1 0 315.461 3.014 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000507611785 294305964 /nfs/dbraw/zinc/30/59/64/294305964.db2.gz UAJZZINIFLQKMD-AWEZNQCLSA-N 1 0 315.369 3.457 10 0 DGAERO C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508115565 294317416 /nfs/dbraw/zinc/31/74/16/294317416.db2.gz CEELUNATXASIJI-KZNAEPCWSA-N 1 0 321.509 3.473 10 0 DGAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509963149 294369796 /nfs/dbraw/zinc/36/97/96/294369796.db2.gz HJJRPMVUFFQKGP-FUHWJXTLSA-N 1 0 302.462 3.244 10 0 DGAERO C([NH2+][C@H]1CC[C@H]1C1CCC1)C1(N2CCOCC2)CCCCC1 ZINC000510669266 294389416 /nfs/dbraw/zinc/38/94/16/294389416.db2.gz UQCBDUCCZFIRFU-ROUUACIJSA-N 1 0 306.494 3.190 10 0 DGAERO CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510701325 294389946 /nfs/dbraw/zinc/38/99/46/294389946.db2.gz HJHCUEIRAHIQQN-SJORKVTESA-N 1 0 302.418 3.192 10 0 DGAERO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510995340 294398533 /nfs/dbraw/zinc/39/85/33/294398533.db2.gz REDBULDLSNPGKF-DOTOQJQBSA-N 1 0 318.461 3.243 10 0 DGAERO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC000511031250 294399614 /nfs/dbraw/zinc/39/96/14/294399614.db2.gz PMSQXGPDRFNJED-LSTHTHJFSA-N 1 0 316.489 3.353 10 0 DGAERO O=C1[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)CCCN1C1CCCCC1 ZINC000511032573 294399932 /nfs/dbraw/zinc/39/99/32/294399932.db2.gz SSWOGSOKHOTHHG-OKZBNKHCSA-N 1 0 304.478 3.478 10 0 DGAERO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC2(C1)CCCCC2 ZINC000357723629 434147954 /nfs/dbraw/zinc/14/79/54/434147954.db2.gz AIXNMALQVNOVDY-HNNXBMFYSA-N 1 0 318.436 3.487 10 0 DGAERO C(=C\c1ccccc1)\CCN1CC[NH+](CC2CCOCC2)CC1 ZINC000450415353 434163018 /nfs/dbraw/zinc/16/30/18/434163018.db2.gz BVULRUBQGVRPEQ-YWEYNIOJSA-N 1 0 314.473 3.134 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363866680 434169548 /nfs/dbraw/zinc/16/95/48/434169548.db2.gz QMOSNAQCEAYTKP-VDZJLULYSA-N 1 0 324.472 3.346 10 0 DGAERO c1ccc(-c2nnc(C[N@@H+]3CC[C@H](Cc4ccncc4)C3)o2)cc1 ZINC000364044119 434217091 /nfs/dbraw/zinc/21/70/91/434217091.db2.gz IVZAOCVCMFEJJC-MRXNPFEDSA-N 1 0 320.396 3.196 10 0 DGAERO Brc1ccc([C@H](N[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423182734 434266123 /nfs/dbraw/zinc/26/61/23/434266123.db2.gz GYVAVTJHQDNNLV-LSDHHAIUSA-N 1 0 309.251 3.242 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000437526773 434283547 /nfs/dbraw/zinc/28/35/47/434283547.db2.gz JNMMQQHXYCEYBX-MSOLQXFVSA-N 1 0 321.486 3.442 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000295273990 434285144 /nfs/dbraw/zinc/28/51/44/434285144.db2.gz SFGGBAQDHMRWAE-NSHDSACASA-N 1 0 317.216 3.089 10 0 DGAERO C[C@H](CN[C@@H]1CCc2sc(Br)cc21)C[NH+](C)C ZINC000383457577 434288251 /nfs/dbraw/zinc/28/82/51/434288251.db2.gz IJATTWBLVMWPLH-MWLCHTKSSA-N 1 0 317.296 3.285 10 0 DGAERO C[C@H](O)CC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000450612443 434293468 /nfs/dbraw/zinc/29/34/68/434293468.db2.gz RLGKFRYMUBLDEO-VIFPVBQESA-N 1 0 304.253 3.246 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000386289501 434310128 /nfs/dbraw/zinc/31/01/28/434310128.db2.gz PGBLIVSMRPBOKH-SMDDNHRTSA-N 1 0 316.214 3.181 10 0 DGAERO CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000387703815 434326701 /nfs/dbraw/zinc/32/67/01/434326701.db2.gz LCZIEVVVVBFXOJ-GRYCIOLGSA-N 1 0 318.244 3.369 10 0 DGAERO c1cc2c(s1)CCC[C@H]2[NH2+]CCCNCc1cccnc1 ZINC000423194525 434278189 /nfs/dbraw/zinc/27/81/89/434278189.db2.gz YYMQHMNEZBXBKU-MRXNPFEDSA-N 1 0 301.459 3.290 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000358170612 434362792 /nfs/dbraw/zinc/36/27/92/434362792.db2.gz SEJPFDVNADEHKL-UHFFFAOYSA-N 1 0 317.452 3.168 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000450724919 434369316 /nfs/dbraw/zinc/36/93/16/434369316.db2.gz HMARPMQDPQFJEP-AEFFLSMTSA-N 1 0 317.454 3.270 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C12CCC2 ZINC000329198792 434370172 /nfs/dbraw/zinc/37/01/72/434370172.db2.gz VTCZFIPMACPWDJ-ORIJERBGSA-N 1 0 308.466 3.457 10 0 DGAERO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1O ZINC000390813669 434372478 /nfs/dbraw/zinc/37/24/78/434372478.db2.gz DTMQKMZEJXLXFW-QGZVFWFLSA-N 1 0 324.424 3.095 10 0 DGAERO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC[C@@H](C)O)n2)cc1 ZINC000450738291 434377754 /nfs/dbraw/zinc/37/77/54/434377754.db2.gz NYZFGCHNOWSKRI-CHWSQXEVSA-N 1 0 303.406 3.111 10 0 DGAERO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccsc1Br ZINC000388519405 434336420 /nfs/dbraw/zinc/33/64/20/434336420.db2.gz WHHKFJKEOGLKEI-GXSJLCMTSA-N 1 0 304.253 3.151 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000389192334 434344571 /nfs/dbraw/zinc/34/45/71/434344571.db2.gz VSMAFQNUYYZSBK-GXSJLCMTSA-N 1 0 303.269 3.255 10 0 DGAERO CC(C)n1cncc1C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389787263 434349956 /nfs/dbraw/zinc/34/99/56/434349956.db2.gz MUIFYCVNXQMABE-VQIMIIECSA-N 1 0 312.461 3.074 10 0 DGAERO CS[C@H]1CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000390532422 434360285 /nfs/dbraw/zinc/36/02/85/434360285.db2.gz IYLHTWOSYUCLJN-STQMWFEESA-N 1 0 300.265 3.475 10 0 DGAERO Fc1cc(Br)cc(C[NH2+]CC2=CCOCC2)c1 ZINC000397831015 434447745 /nfs/dbraw/zinc/44/77/45/434447745.db2.gz KRVIYROGSCNMRS-UHFFFAOYSA-N 1 0 300.171 3.025 10 0 DGAERO C[C@H]1CCC[C@H](CC[NH2+]Cc2c(Br)cnn2C)C1 ZINC000394074122 434400549 /nfs/dbraw/zinc/40/05/49/434400549.db2.gz XEBYCFXLWVTIHF-NWDGAFQWSA-N 1 0 314.271 3.489 10 0 DGAERO c1cnc(N2CCC[C@@H]([NH2+]CCC3CCCCCC3)C2)nc1 ZINC000394574295 434404842 /nfs/dbraw/zinc/40/48/42/434404842.db2.gz OBRARYCLCISVQB-QGZVFWFLSA-N 1 0 302.466 3.396 10 0 DGAERO Fc1c(Br)cccc1C[NH2+]CC[C@H]1CCCO1 ZINC000394910995 434408018 /nfs/dbraw/zinc/40/80/18/434408018.db2.gz ODLSZPYCZQBXEH-LLVKDONJSA-N 1 0 302.187 3.247 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(F)cc1Br ZINC000395175236 434415018 /nfs/dbraw/zinc/41/50/18/434415018.db2.gz IWUHJOVEPHWUGH-BXUZGUMPSA-N 1 0 316.214 3.181 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1sccc1Br ZINC000395156906 434415777 /nfs/dbraw/zinc/41/57/77/434415777.db2.gz GMQSHDZGIYNDST-KOLCDFICSA-N 1 0 304.253 3.103 10 0 DGAERO Cc1csc([C@@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)n1 ZINC000396415175 434424485 /nfs/dbraw/zinc/42/44/85/434424485.db2.gz JUIXWRSDTHNJEV-GRZMOONWSA-N 1 0 308.369 3.338 10 0 DGAERO c1c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)nnn1CC1CC1 ZINC000450818611 434425749 /nfs/dbraw/zinc/42/57/49/434425749.db2.gz IKRMBHRRJKBDMA-HKUYNNGSSA-N 1 0 310.445 3.189 10 0 DGAERO c1nc(C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)c[nH]1 ZINC000366469944 434426290 /nfs/dbraw/zinc/42/62/90/434426290.db2.gz UMHRVPIKQFYMEH-UHFFFAOYSA-N 1 0 311.429 3.157 10 0 DGAERO CC[NH+](CC)CCNC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000438209479 434437326 /nfs/dbraw/zinc/43/73/26/434437326.db2.gz NSWMRZIZDTZRKY-KOMQPUFPSA-N 1 0 323.868 3.227 10 0 DGAERO C[C@@H]1C[C@@H](CO)C[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000398743784 434464915 /nfs/dbraw/zinc/46/49/15/434464915.db2.gz NEHKYBVPISBOKW-VXGBXAGGSA-N 1 0 318.244 3.323 10 0 DGAERO Brc1cnn(CC[NH2+][C@H]2CCCC[C@H]2C2CC2)c1 ZINC000521287676 294866685 /nfs/dbraw/zinc/86/66/85/294866685.db2.gz ZUKIXWILRIYETN-KBPBESRZSA-N 1 0 312.255 3.204 10 0 DGAERO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000400329030 434485399 /nfs/dbraw/zinc/48/53/99/434485399.db2.gz BIGJIUOVHHOWRT-GOEBONIOSA-N 1 0 319.449 3.125 10 0 DGAERO Brc1cccc2c1CC[C@@H]2N[C@H]1CCCC[NH2+]C1 ZINC000423553647 434485654 /nfs/dbraw/zinc/48/56/54/434485654.db2.gz KOXHZBHFDBIEDF-NHYWBVRUSA-N 1 0 309.251 3.168 10 0 DGAERO C[C@H]([NH2+]C(C1CC1)C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400533048 434486700 /nfs/dbraw/zinc/48/67/00/434486700.db2.gz SEXLKPNZYZOENG-SWLSCSKDSA-N 1 0 308.466 3.410 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400516272 434486966 /nfs/dbraw/zinc/48/69/66/434486966.db2.gz BZTRSZSFRFCWIX-MISYRCLQSA-N 1 0 316.489 3.303 10 0 DGAERO C[C@H](NCc1ccccc1OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400750547 434491168 /nfs/dbraw/zinc/49/11/68/434491168.db2.gz MTDVWQMUELMAAC-WMZOPIPTSA-N 1 0 310.441 3.353 10 0 DGAERO C[C@]1(C[NH2+]CC[C@@H]2CCOC2)CCCN1Cc1ccccc1 ZINC000400602645 434492094 /nfs/dbraw/zinc/49/20/94/434492094.db2.gz DPUCHMQHCHZYBN-RTBURBONSA-N 1 0 302.462 3.057 10 0 DGAERO C[C@H](O)CCC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000450933848 434492348 /nfs/dbraw/zinc/49/23/48/434492348.db2.gz CRMBALJKJOXEMX-IINYFYTJSA-N 1 0 313.239 3.046 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000438493077 434493374 /nfs/dbraw/zinc/49/33/74/434493374.db2.gz QBZXZWZGMHNCOA-XJKSGUPXSA-N 1 0 302.418 3.194 10 0 DGAERO C[C@H](O)CC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000450940498 434494869 /nfs/dbraw/zinc/49/48/69/434494869.db2.gz OBQNJTDNNOSUDC-SMDDNHRTSA-N 1 0 305.315 3.347 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438494869 434494859 /nfs/dbraw/zinc/49/48/59/434494859.db2.gz XLQQGQPWAOCCAQ-DZGCQCFKSA-N 1 0 302.418 3.194 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)CO1 ZINC000402014448 434500579 /nfs/dbraw/zinc/50/05/79/434500579.db2.gz TUVUHFGHFCGOSU-CDMKHQONSA-N 1 0 312.207 3.040 10 0 DGAERO CCO[C@H]1C[C@](CO)([NH2+]C2CC(c3ccc(F)cc3)C2)C1(C)C ZINC000438328694 434454899 /nfs/dbraw/zinc/45/48/99/434454899.db2.gz NXLWPDPMUKSSOQ-HJRFIPHPSA-N 1 0 321.436 3.227 10 0 DGAERO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(Cl)cc1Cl ZINC000404221061 434510739 /nfs/dbraw/zinc/51/07/39/434510739.db2.gz UCPRZGDVFPUEIG-HZMBPMFUSA-N 1 0 304.217 3.186 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407248274 434528177 /nfs/dbraw/zinc/52/81/77/434528177.db2.gz CZYPGXHNKWWWEM-ZIAGYGMSSA-N 1 0 323.234 3.227 10 0 DGAERO COC[C@H](C)[C@@H](C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000360134497 434529660 /nfs/dbraw/zinc/52/96/60/434529660.db2.gz GOLWIBHSWJWSCE-RCCFBDPRSA-N 1 0 324.509 3.020 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407250671 434530308 /nfs/dbraw/zinc/53/03/08/434530308.db2.gz FCDOAMFTRWNHOH-KBPBESRZSA-N 1 0 323.234 3.227 10 0 DGAERO C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000407967618 434532882 /nfs/dbraw/zinc/53/28/82/434532882.db2.gz QRRLZSPVOQNPLI-MWLCHTKSSA-N 1 0 303.431 3.164 10 0 DGAERO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3C[C@@H](O)C(C)(C)C)nc2c1 ZINC000451018572 434537359 /nfs/dbraw/zinc/53/73/59/434537359.db2.gz PTWQTKGOQLALDF-JKSUJKDBSA-N 1 0 301.434 3.415 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(CC)(c2ccccc2)C1 ZINC000458226132 434537646 /nfs/dbraw/zinc/53/76/46/434537646.db2.gz JTULPXMNGFOSOU-KRWDZBQOSA-N 1 0 300.446 3.051 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000451040097 434541898 /nfs/dbraw/zinc/54/18/98/434541898.db2.gz FOCHLLNNEGQLQA-CABCVRRESA-N 1 0 316.228 3.374 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000408139775 434546125 /nfs/dbraw/zinc/54/61/25/434546125.db2.gz PHGOKBKHGNQANB-KMFMINBZSA-N 1 0 324.428 3.232 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000438976530 434554052 /nfs/dbraw/zinc/55/40/52/434554052.db2.gz UAGVFKMPZDGOFX-ZDUSSCGKSA-N 1 0 306.372 3.052 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cnc3ccsc3c2)CC1 ZINC000525164036 295001095 /nfs/dbraw/zinc/00/10/95/295001095.db2.gz QRCPSOABUJJQIC-UHFFFAOYSA-N 1 0 317.458 3.148 10 0 DGAERO COc1ccc([C@H](CCn2cncn2)[NH2+]CCCC2CC2)cc1 ZINC000526118676 295059102 /nfs/dbraw/zinc/05/91/02/295059102.db2.gz NBQCBMHQZPMMAC-SFHVURJKSA-N 1 0 314.433 3.198 10 0 DGAERO Cc1cc(-c2nnc(C[N@H+]3CCSC[C@H](C)C3)o2)c(C)o1 ZINC000408358469 434565252 /nfs/dbraw/zinc/56/52/52/434565252.db2.gz GLEIPNKJPIXFRA-SNVBAGLBSA-N 1 0 307.419 3.131 10 0 DGAERO c1nc2c(c(N3CCC[N@@H+](C4CCCC4)CC3)n1)CCCCC2 ZINC000439099463 434565587 /nfs/dbraw/zinc/56/55/87/434565587.db2.gz TVBOKQIKEJIIAH-UHFFFAOYSA-N 1 0 314.477 3.200 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@@H](NCc2ccsc2Br)C1 ZINC000527670400 295113095 /nfs/dbraw/zinc/11/30/95/295113095.db2.gz OBRHWMMLZSZTQL-VXGBXAGGSA-N 1 0 317.296 3.473 10 0 DGAERO c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527734892 295122474 /nfs/dbraw/zinc/12/24/74/295122474.db2.gz AIHJMDOJOMQEIM-MJGOQNOKSA-N 1 0 319.445 3.151 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527736498 295122692 /nfs/dbraw/zinc/12/26/92/295122692.db2.gz GHPKZWDBFUODFJ-CYBMUJFWSA-N 1 0 303.431 3.111 10 0 DGAERO c1ccc(N2CCOCC2)c(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000527740504 295123652 /nfs/dbraw/zinc/12/36/52/295123652.db2.gz TVOFGSPEAFKCIT-NUJGCVRESA-N 1 0 300.446 3.049 10 0 DGAERO c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C2CCC2)nc1 ZINC000527774403 295128147 /nfs/dbraw/zinc/12/81/47/295128147.db2.gz UOTBRHZOYZNYKU-IBGZPJMESA-N 1 0 310.397 3.484 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000527800726 295132534 /nfs/dbraw/zinc/13/25/34/295132534.db2.gz DUAOFOXVMGBOEZ-JXVAYASWSA-N 1 0 304.253 3.412 10 0 DGAERO CCn1nncc1C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000459403125 434579787 /nfs/dbraw/zinc/57/97/87/434579787.db2.gz GFIMAUPAHBHBQU-ZDUSSCGKSA-N 1 0 324.350 3.306 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nccc3ccccc32)[C@@H]1SC ZINC000459397338 434575052 /nfs/dbraw/zinc/57/50/52/434575052.db2.gz HIPUMDUNSQXMHW-OIISXLGYSA-N 1 0 302.443 3.233 10 0 DGAERO c1ccc2c(c1)CO[C@]21CCC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459500082 434589952 /nfs/dbraw/zinc/58/99/52/434589952.db2.gz NABIQFDPXJOURJ-FQEVSTJZSA-N 1 0 321.424 3.376 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000261769082 295272306 /nfs/dbraw/zinc/27/23/06/295272306.db2.gz OFHPNEHVYZBZQC-TVFCKZIOSA-N 1 0 300.446 3.204 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]CCCn1cccn1)C(C)C ZINC000127147035 295365823 /nfs/dbraw/zinc/36/58/23/295365823.db2.gz IDAAFDPUKNEHSW-KRWDZBQOSA-N 1 0 301.434 3.139 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCc3cccc(Cl)c3)[C@@H]2C1 ZINC000459571487 434613975 /nfs/dbraw/zinc/61/39/75/434613975.db2.gz RHPWPHYUAYKWTE-CGTJXYLNSA-N 1 0 320.864 3.119 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](C)OC)[C@H]1Sc1ccccc1 ZINC000459560026 434608346 /nfs/dbraw/zinc/60/83/46/434608346.db2.gz JGIGVQRMHPICJB-PNDGYWDASA-N 1 0 309.475 3.338 10 0 DGAERO C=Cn1cc(C[NH2+]C[C@H](CC(C)C)C(=O)OC(C)(C)C)cn1 ZINC000424185699 434649823 /nfs/dbraw/zinc/64/98/23/434649823.db2.gz HDDGDFQIUONRGY-HNNXBMFYSA-N 1 0 307.438 3.077 10 0 DGAERO c1cn(-c2csc(C[N@H+](Cc3ccccn3)C3CC3)c2)cn1 ZINC000349291382 434662675 /nfs/dbraw/zinc/66/26/75/434662675.db2.gz ZDYGXWFREKWHED-UHFFFAOYSA-N 1 0 310.426 3.493 10 0 DGAERO O[C@@H](CC[NH2+]Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000349292340 434663237 /nfs/dbraw/zinc/66/32/37/434663237.db2.gz CGUMNNXPAXTEKJ-JTQLQIEISA-N 1 0 302.123 3.396 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000360729798 434679357 /nfs/dbraw/zinc/67/93/57/434679357.db2.gz RYQZDFNMIXPBCT-GDBMZVCRSA-N 1 0 315.442 3.252 10 0 DGAERO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]([C@H]3CCOC3)C1)OCCO2 ZINC000360966244 434746820 /nfs/dbraw/zinc/74/68/20/434746820.db2.gz MSCWKMNJPVVPJL-IXDOHACOSA-N 1 0 317.429 3.143 10 0 DGAERO COc1ccc(OCCC[NH2+]C2(CCO)CCCCC2)cc1 ZINC000440911454 434754242 /nfs/dbraw/zinc/75/42/42/434754242.db2.gz UGUQWFFKKCWDDN-UHFFFAOYSA-N 1 0 307.434 3.139 10 0 DGAERO CC(C)c1ncc(C[N@H+](C)CCOc2ccc(F)cc2)cn1 ZINC000440476952 434706761 /nfs/dbraw/zinc/70/67/61/434706761.db2.gz HTVLDZNGNGIFDQ-UHFFFAOYSA-N 1 0 303.381 3.250 10 0 DGAERO O=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261806013 295607742 /nfs/dbraw/zinc/60/77/42/295607742.db2.gz ZEYYESINLLLTKW-JKZOPUQSSA-N 1 0 318.383 3.144 10 0 DGAERO FC(F)(F)c1cc(C[NH2+]CCc2ccc3ccccc3n2)[nH]n1 ZINC000440801936 434742963 /nfs/dbraw/zinc/74/29/63/434742963.db2.gz BWGGEOJHLAKBRN-UHFFFAOYSA-N 1 0 320.318 3.309 10 0 DGAERO Cc1ccnc(C2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)n1 ZINC000371887521 434766875 /nfs/dbraw/zinc/76/68/75/434766875.db2.gz GZFXLNRGVSTNPT-UHFFFAOYSA-N 1 0 313.449 3.185 10 0 DGAERO c1ccc2c(c1)CO[C@]21CCC[N@@H+](CCOCC2CCC2)C1 ZINC000419266429 434759506 /nfs/dbraw/zinc/75/95/06/434759506.db2.gz GXYHLINZMQSZLR-IBGZPJMESA-N 1 0 301.430 3.325 10 0 DGAERO COc1ccc([C@H](C)CC[NH2+][C@@H](C)C2(OC)CCOCC2)cc1 ZINC000453114090 434804313 /nfs/dbraw/zinc/80/43/13/434804313.db2.gz GCXBALPDLAUDHO-CVEARBPZSA-N 1 0 321.461 3.363 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2ccccc2OCC(C)C)CCOCC1 ZINC000453073265 434792216 /nfs/dbraw/zinc/79/22/16/434792216.db2.gz SZKFBMWXQZVSHN-MRXNPFEDSA-N 1 0 321.461 3.395 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000372097421 434796534 /nfs/dbraw/zinc/79/65/34/434796534.db2.gz ZHWIUQMXNAWZNN-KYNGSXCRSA-N 1 0 303.446 3.421 10 0 DGAERO COC1([C@@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)CCOCC1 ZINC000453127521 434809124 /nfs/dbraw/zinc/80/91/24/434809124.db2.gz PFWYLTVTPZZLKF-OAHLLOKOSA-N 1 0 316.445 3.193 10 0 DGAERO CCCCCn1cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c(C)n1 ZINC000453166048 434820476 /nfs/dbraw/zinc/82/04/76/434820476.db2.gz PZRYFFAVXDXJPY-INIZCTEOSA-N 1 0 323.481 3.055 10 0 DGAERO CCCCCn1cc(C[NH2+][C@H](C)C2(OC)CCOCC2)c(C)n1 ZINC000453166049 434820792 /nfs/dbraw/zinc/82/07/92/434820792.db2.gz PZRYFFAVXDXJPY-MRXNPFEDSA-N 1 0 323.481 3.055 10 0 DGAERO C[C@H](CCO)CC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000453239439 434837057 /nfs/dbraw/zinc/83/70/57/434837057.db2.gz UQECSNMWWZGRMH-SUMWQHHRSA-N 1 0 321.852 3.161 10 0 DGAERO Cn1ccc([C@@H]([NH2+]CCC(C)(C)CO)c2ccc(Cl)cc2)n1 ZINC000453270065 434846953 /nfs/dbraw/zinc/84/69/53/434846953.db2.gz DSZLDFIGWJRECR-INIZCTEOSA-N 1 0 321.852 3.161 10 0 DGAERO Brc1cnn(CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000521287677 434880268 /nfs/dbraw/zinc/88/02/68/434880268.db2.gz ZUKIXWILRIYETN-KGLIPLIRSA-N 1 0 312.255 3.204 10 0 DGAERO COc1ccc(Cl)cc1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000553456037 434891340 /nfs/dbraw/zinc/89/13/40/434891340.db2.gz FPZVSSQYIPOWPV-UHFFFAOYSA-N 1 0 318.804 3.467 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccccc2OC(C)C)CC1 ZINC000461219133 434873328 /nfs/dbraw/zinc/87/33/28/434873328.db2.gz PYPPXVBFUKAMPB-UHFFFAOYSA-N 1 0 318.461 3.326 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000461209196 434873500 /nfs/dbraw/zinc/87/35/00/434873500.db2.gz BVHAJRNTRSNMAN-UHFFFAOYSA-N 1 0 320.502 3.479 10 0 DGAERO CCCC[N@H+](C)CCNC(=O)NCc1oc2ccccc2c1C ZINC000523776085 434963039 /nfs/dbraw/zinc/96/30/39/434963039.db2.gz PHNITJBQAWPVDA-UHFFFAOYSA-N 1 0 317.433 3.272 10 0 DGAERO CC[NH+](CC)C[C@@H](C)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462794789 434929374 /nfs/dbraw/zinc/92/93/74/434929374.db2.gz XIXXQIZYDMSJCU-OAHLLOKOSA-N 1 0 320.477 3.462 10 0 DGAERO CCC[C@@](C)(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462790846 434929622 /nfs/dbraw/zinc/92/96/22/434929622.db2.gz JRFQLFSSUBVYCF-GOSISDBHSA-N 1 0 307.434 3.283 10 0 DGAERO c1ccc(-c2ncc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)cn2)cc1 ZINC000573891814 434933508 /nfs/dbraw/zinc/93/35/08/434933508.db2.gz LXDNAHSZFQQGHW-LJQANCHMSA-N 1 0 309.413 3.146 10 0 DGAERO Cc1nc(CNC[C@H]2CCCC[N@@H+]2Cc2ccccc2)[nH]c1C ZINC000574414809 434976799 /nfs/dbraw/zinc/97/67/99/434976799.db2.gz WKRZCWAZMVOZCP-GOSISDBHSA-N 1 0 312.461 3.171 10 0 DGAERO c1cc(-c2noc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)n2)cs1 ZINC000531104164 435071512 /nfs/dbraw/zinc/07/15/12/435071512.db2.gz KMMNFOLNUDXXSF-MRXNPFEDSA-N 1 0 319.430 3.191 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC2(C)C)[C@H]1c1cccs1 ZINC000531106648 435072062 /nfs/dbraw/zinc/07/20/62/435072062.db2.gz MYTLCTBHEQGBJG-ZFWWWQNUSA-N 1 0 321.490 3.325 10 0 DGAERO c1ccc(COCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000466344052 435072346 /nfs/dbraw/zinc/07/23/46/435072346.db2.gz SCWYIZATPOYEBB-GUDVDZBRSA-N 1 0 303.446 3.388 10 0 DGAERO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000557102025 435045228 /nfs/dbraw/zinc/04/52/28/435045228.db2.gz VXTBZRXOGDVFME-HNNXBMFYSA-N 1 0 315.461 3.091 10 0 DGAERO C[C@H](OCc1ccccc1)C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638545636 435050443 /nfs/dbraw/zinc/05/04/43/435050443.db2.gz YUEDUDAHHBGIGR-HNNXBMFYSA-N 1 0 324.424 3.030 10 0 DGAERO COc1ccccc1/C=C\C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000466904356 435097565 /nfs/dbraw/zinc/09/75/65/435097565.db2.gz IJIVIZXSSLLNAY-SUOMESGTSA-N 1 0 311.425 3.210 10 0 DGAERO c1[nH]nc2c1CC[C@@H]([NH2+]Cc1csc(-c3ccccc3)n1)C2 ZINC000531566752 435103234 /nfs/dbraw/zinc/10/32/34/435103234.db2.gz YSQKFWWBCJROEL-CQSZACIVSA-N 1 0 310.426 3.180 10 0 DGAERO CC(C)(C)/C=C\C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000493109576 435109839 /nfs/dbraw/zinc/10/98/39/435109839.db2.gz WONUKAMPCGSVLA-CCCPALQASA-N 1 0 315.461 3.155 10 0 DGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000558971278 435118523 /nfs/dbraw/zinc/11/85/23/435118523.db2.gz RLFLZSNDDMITDU-XLAORIBOSA-N 1 0 309.494 3.359 10 0 DGAERO Cc1ncc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)s1 ZINC000531870054 435123760 /nfs/dbraw/zinc/12/37/60/435123760.db2.gz TWIDJJGWHRYBDS-ZDUSSCGKSA-N 1 0 310.463 3.395 10 0 DGAERO C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000579034333 435127450 /nfs/dbraw/zinc/12/74/50/435127450.db2.gz DPXMMVLLCFJFJF-CABCVRRESA-N 1 0 317.433 3.228 10 0 DGAERO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000531954696 435129601 /nfs/dbraw/zinc/12/96/01/435129601.db2.gz JOVDJJWUYLMPFN-TVQRCGJNSA-N 1 0 317.658 3.142 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)NCCCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000532061761 435138224 /nfs/dbraw/zinc/13/82/24/435138224.db2.gz IRRVPZYDGQMVNE-CRAIPNDOSA-N 1 0 315.461 3.139 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000579212031 435138639 /nfs/dbraw/zinc/13/86/39/435138639.db2.gz NCSKNVVYEKSZLV-IBGZPJMESA-N 1 0 318.424 3.053 10 0 DGAERO C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532647365 435183901 /nfs/dbraw/zinc/18/39/01/435183901.db2.gz HUELUFJINOIEOM-DLBZAZTESA-N 1 0 324.509 3.305 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(OC)c1 ZINC000475287694 435186768 /nfs/dbraw/zinc/18/67/68/435186768.db2.gz OOGLZQZWJXQNLK-GXFFZTMASA-N 1 0 303.324 3.477 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474622389 435154561 /nfs/dbraw/zinc/15/45/61/435154561.db2.gz VSVCVLAWQYCNRA-JIOCBJNQSA-N 1 0 313.772 3.406 10 0 DGAERO CC(C)C(C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1)C(C)C ZINC000560258808 435157641 /nfs/dbraw/zinc/15/76/41/435157641.db2.gz TUCRGKJYWBIYQY-SFHVURJKSA-N 1 0 302.462 3.478 10 0 DGAERO C[C@@H]1C[N@H+](C)C[C@@H]1NCc1cc(Cl)ccc1Br ZINC000561526099 435223018 /nfs/dbraw/zinc/22/30/18/435223018.db2.gz LTLBENSQKYQVMT-RNCFNFMXSA-N 1 0 317.658 3.142 10 0 DGAERO CC(C)n1nccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000583619503 435243411 /nfs/dbraw/zinc/24/34/11/435243411.db2.gz TVROORONARXZFH-RCCFBDPRSA-N 1 0 305.466 3.370 10 0 DGAERO Clc1ccc(OCc2noc([C@@H]3CC[NH2+]C3)n2)c(Cl)c1 ZINC000583623203 435243429 /nfs/dbraw/zinc/24/34/29/435243429.db2.gz VHPUOOHAVNSVCC-MRVPVSSYSA-N 1 0 314.172 3.032 10 0 DGAERO C[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(F)c(F)c1 ZINC000477963138 435287142 /nfs/dbraw/zinc/28/71/42/435287142.db2.gz HDQXKUXOIRJVNI-GRTSSRMGSA-N 1 0 322.399 3.201 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000534912686 435305810 /nfs/dbraw/zinc/30/58/10/435305810.db2.gz IQYVINPILNUQMO-OALUTQOASA-N 1 0 314.473 3.188 10 0 DGAERO C[C@@H]1C[C@@H]1CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479434073 435331476 /nfs/dbraw/zinc/33/14/76/435331476.db2.gz BVXRAHFPXDNFRP-JFIYKMOQSA-N 1 0 321.509 3.329 10 0 DGAERO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H](C)C1CC1 ZINC000479600937 435342931 /nfs/dbraw/zinc/34/29/31/435342931.db2.gz LAPXJVBUDJFQQD-GFCCVEGCSA-N 1 0 323.403 3.091 10 0 DGAERO c1cnc(N[C@H]2CC[N@@H+](Cc3ccc4ccccc4c3)C2)nc1 ZINC000567905446 435368240 /nfs/dbraw/zinc/36/82/40/435368240.db2.gz ZXVSKIGEMKCCCD-SFHVURJKSA-N 1 0 304.397 3.316 10 0 DGAERO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480708081 435389995 /nfs/dbraw/zinc/38/99/95/435389995.db2.gz RNTUAXHCGFOAOD-WMZOPIPTSA-N 1 0 317.477 3.367 10 0 DGAERO Cc1cccc(CCC[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000480682057 435390659 /nfs/dbraw/zinc/39/06/59/435390659.db2.gz RBIYYXPWXWRJEF-FQEVSTJZSA-N 1 0 322.452 3.491 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000513527935 435392994 /nfs/dbraw/zinc/39/29/94/435392994.db2.gz VXWVAQFDELCEIE-UVQBRAAOSA-N 1 0 322.880 3.301 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Cl)cc(Cl)c1 ZINC000482073011 435451957 /nfs/dbraw/zinc/45/19/57/435451957.db2.gz FFPNBSLDDSQNMO-SSDOTTSWSA-N 1 0 311.159 3.025 10 0 DGAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000639940756 435467320 /nfs/dbraw/zinc/46/73/20/435467320.db2.gz OSEWRMNFUWDMEK-ZYHUDNBSSA-N 1 0 304.217 3.217 10 0 DGAERO c1nc2cc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)ccc2[nH]1 ZINC000537865313 435469458 /nfs/dbraw/zinc/46/94/58/435469458.db2.gz XTHGFLOOWMTFAQ-LPHOPBHVSA-N 1 0 307.397 3.430 10 0 DGAERO c1ccc2c(c1)O[C@H](C[NH2+][C@H]1CCOC3(CCC3)C1)CS2 ZINC000515351530 435476434 /nfs/dbraw/zinc/47/64/34/435476434.db2.gz JJYLQYODYYRIPQ-UONOGXRCSA-N 1 0 305.443 3.231 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)CCC[NH+](C)C ZINC000537215022 435429810 /nfs/dbraw/zinc/42/98/10/435429810.db2.gz KROLASFKGLQILY-KRWDZBQOSA-N 1 0 320.477 3.378 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CCSc1ccccc1Cl ZINC000537215799 435431850 /nfs/dbraw/zinc/43/18/50/435431850.db2.gz ZPWVOFCBUNQYQT-UHFFFAOYSA-N 1 0 314.882 3.232 10 0 DGAERO CC[C@H]([NH2+]CCc1ccccc1Br)[C@@H]1CCOC1 ZINC000481710510 435439895 /nfs/dbraw/zinc/43/98/95/435439895.db2.gz COQXUCRISQOQBZ-HIFRSBDPSA-N 1 0 312.251 3.396 10 0 DGAERO CC[C@@H](C[N@H+](CC)CC(=O)N(C)CC1CC1)c1ccccc1 ZINC000481737726 435441471 /nfs/dbraw/zinc/44/14/71/435441471.db2.gz PNYUTXFIIHXMEF-KRWDZBQOSA-N 1 0 302.462 3.371 10 0 DGAERO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000483236623 435503840 /nfs/dbraw/zinc/50/38/40/435503840.db2.gz VBFOLLIFNDEBFC-MSOLQXFVSA-N 1 0 305.462 3.322 10 0 DGAERO c1c2ccccc2sc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000569104619 435504782 /nfs/dbraw/zinc/50/47/82/435504782.db2.gz KALQSKJRUGUBCY-CQSZACIVSA-N 1 0 310.426 3.378 10 0 DGAERO Cn1cnc(CC[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)n1 ZINC000539122371 435540549 /nfs/dbraw/zinc/54/05/49/435540549.db2.gz PKANQKLMULAYSA-SFHVURJKSA-N 1 0 312.461 3.139 10 0 DGAERO Cn1cc(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000540733020 435615964 /nfs/dbraw/zinc/61/59/64/435615964.db2.gz GHLUTJVFVVNACS-GJZGRUSLSA-N 1 0 324.350 3.260 10 0 DGAERO CC[NH+]1CCC(CCNc2ncncc2-c2ccccc2)CC1 ZINC000540349892 435598228 /nfs/dbraw/zinc/59/82/28/435598228.db2.gz MKTFHSMIIXNALT-UHFFFAOYSA-N 1 0 310.445 3.099 10 0 DGAERO c1cnn(-c2cccc(C[NH2+]C[C@@H]3CC34CCSCC4)c2)c1 ZINC000570792318 435650622 /nfs/dbraw/zinc/65/06/22/435650622.db2.gz XIZYVTXQEWFZTH-INIZCTEOSA-N 1 0 313.470 3.495 10 0 DGAERO Brc1ccc2[nH]c(C[NH2+]C3(C4CC4)CC3)nc2c1 ZINC000547831372 435651607 /nfs/dbraw/zinc/65/16/07/435651607.db2.gz SFCYHYMOMXIBBA-UHFFFAOYSA-N 1 0 306.207 3.358 10 0 DGAERO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000548159965 435672805 /nfs/dbraw/zinc/67/28/05/435672805.db2.gz AEQNKFXURDFBMH-HIFRSBDPSA-N 1 0 318.417 3.302 10 0 DGAERO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000548159967 435672932 /nfs/dbraw/zinc/67/29/32/435672932.db2.gz AEQNKFXURDFBMH-ZFWWWQNUSA-N 1 0 318.417 3.302 10 0 DGAERO CC(C)[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(F)(F)F ZINC000548392086 435687798 /nfs/dbraw/zinc/68/77/98/435687798.db2.gz XHAHHUQVOAPVMB-AWEZNQCLSA-N 1 0 308.388 3.344 10 0 DGAERO c1ccc2c(c1)O[C@H](C[NH2+]Cc1cccc3c1OCO3)CS2 ZINC000520229183 435731150 /nfs/dbraw/zinc/73/11/50/435731150.db2.gz DRBWHJJTSDIRMO-CYBMUJFWSA-N 1 0 315.394 3.058 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000491345913 435733295 /nfs/dbraw/zinc/73/32/95/435733295.db2.gz JXEOWHDYIKEVAK-RBUKOAKNSA-N 1 0 310.445 3.385 10 0 DGAERO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1[C@@H](C)C[C@@H]1C ZINC000548754569 435715337 /nfs/dbraw/zinc/71/53/37/435715337.db2.gz ZJBRGPSPCRYUJC-SRVKXCTJSA-N 1 0 314.385 3.445 10 0 DGAERO c1ccc(N2CCC(C[NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000548791508 435718906 /nfs/dbraw/zinc/71/89/06/435718906.db2.gz PTFNWAHGEZNMFE-LJQANCHMSA-N 1 0 314.473 3.452 10 0 DGAERO C=Cc1ccc(CC[NH2+]Cc2cnnn2Cc2ccccc2)cc1 ZINC000491595593 435777964 /nfs/dbraw/zinc/77/79/64/435777964.db2.gz BRSSQPMFCPIRHH-UHFFFAOYSA-N 1 0 318.424 3.302 10 0 DGAERO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCOCC1CCC1 ZINC000572471661 435828549 /nfs/dbraw/zinc/82/85/49/435828549.db2.gz KTHOJIINBXRPJK-HNNXBMFYSA-N 1 0 304.434 3.118 10 0 DGAERO CC(C)Cc1cccc([C@H](C)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000552411609 435902211 /nfs/dbraw/zinc/90/22/11/435902211.db2.gz JMNALWQUKBJOSH-INIZCTEOSA-N 1 0 304.478 3.399 10 0 DGAERO OCC1CC([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000657810521 436314014 /nfs/dbraw/zinc/31/40/14/436314014.db2.gz FQNPXXUPIICATG-UHFFFAOYSA-N 1 0 310.644 3.025 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1Cl ZINC000658245318 436409232 /nfs/dbraw/zinc/40/92/32/436409232.db2.gz RHPJYYRRNGAZJN-UWVGGRQHSA-N 1 0 301.217 3.122 10 0 DGAERO OCC1CC([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000658353036 436438551 /nfs/dbraw/zinc/43/85/51/436438551.db2.gz JGPIRZZBXUBMTC-UHFFFAOYSA-N 1 0 310.235 3.056 10 0 DGAERO CCS(=O)(=O)C1(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000658301105 436422523 /nfs/dbraw/zinc/42/25/23/436422523.db2.gz WNBRGCANWRGTKL-KGLIPLIRSA-N 1 0 301.496 3.148 10 0 DGAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000658301151 436423455 /nfs/dbraw/zinc/42/34/55/436423455.db2.gz WVMXNOAVBWDTLD-SOUVJXGZSA-N 1 0 301.496 3.004 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(F)cc1Cl ZINC000132119769 312634851 /nfs/dbraw/zinc/63/48/51/312634851.db2.gz OUHSEURTADOIOB-AWEZNQCLSA-N 1 0 314.832 3.114 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccccc1F)C1CC1 ZINC000171304358 312716522 /nfs/dbraw/zinc/71/65/22/312716522.db2.gz RVRIREJNWNVDFP-CQSZACIVSA-N 1 0 321.440 3.230 10 0 DGAERO Clc1ccc(OCCN2CC[NH+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000171730082 312728560 /nfs/dbraw/zinc/72/85/60/312728560.db2.gz HBCUOZXMSZZZNK-QGZVFWFLSA-N 1 0 320.864 3.445 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)NC/C=C/c1ccccc1)c1ccccc1 ZINC000171854170 312732518 /nfs/dbraw/zinc/73/25/18/312732518.db2.gz SJHVWABRUJHJQN-DLENHJPASA-N 1 0 323.440 3.302 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(C)(C)C ZINC000173410022 312756872 /nfs/dbraw/zinc/75/68/72/312756872.db2.gz KRQFHDRMZODCJJ-QWHCGFSZSA-N 1 0 312.479 3.022 10 0 DGAERO COc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1Cl ZINC000179501210 312808307 /nfs/dbraw/zinc/80/83/07/312808307.db2.gz OYBCYBHOPDEUKV-UHFFFAOYSA-N 1 0 324.852 3.199 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179678664 312813801 /nfs/dbraw/zinc/81/38/01/312813801.db2.gz ODFMIWCWRGCOMV-CQSZACIVSA-N 1 0 306.450 3.429 10 0 DGAERO CCc1noc(C2CCC([NH2+]C[C@H]3CCC[C@@H](CO)C3)CC2)n1 ZINC000376824599 312989622 /nfs/dbraw/zinc/98/96/22/312989622.db2.gz XHCAAOZNTNMFCJ-QRNKSROTSA-N 1 0 321.465 3.047 10 0 DGAERO CCCCc1noc([C@H](C)N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000377195351 313027415 /nfs/dbraw/zinc/02/74/15/313027415.db2.gz DQYWSBUGYVDRPM-AWEZNQCLSA-N 1 0 306.454 3.033 10 0 DGAERO c1cc(CN[C@H]2CC[NH2+]C23CCC3)cc(OC2CCCC2)c1 ZINC000530176854 313333850 /nfs/dbraw/zinc/33/38/50/313333850.db2.gz DKWGPUUQTVXGGI-SFHVURJKSA-N 1 0 300.446 3.382 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC000530216915 313341183 /nfs/dbraw/zinc/34/11/83/313341183.db2.gz DIGJOYDVGKGRKK-CABCVRRESA-N 1 0 321.262 3.311 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3N[C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218278 313341540 /nfs/dbraw/zinc/34/15/40/313341540.db2.gz INKKFMDKJQQLLJ-HKUYNNGSSA-N 1 0 312.457 3.263 10 0 DGAERO Brc1cccc2c1CC[C@H]2N[C@@H]1CC[NH2+]C12CCC2 ZINC000530224174 313343144 /nfs/dbraw/zinc/34/31/44/313343144.db2.gz VAKSGMZXMCNJTQ-HUUCEWRRSA-N 1 0 321.262 3.311 10 0 DGAERO COc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccsc1C ZINC000530325537 313358668 /nfs/dbraw/zinc/35/86/68/313358668.db2.gz XWAAMBKASYIXSS-UHFFFAOYSA-N 1 0 318.442 3.308 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ncccc1F ZINC000530529641 313381162 /nfs/dbraw/zinc/38/11/62/313381162.db2.gz ZOYIOLIFFYXJSR-QAPCUYQASA-N 1 0 313.420 3.221 10 0 DGAERO O=C1CCCN1CCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000533068570 313595716 /nfs/dbraw/zinc/59/57/16/313595716.db2.gz RFOVGFCLTMJTRZ-UHFFFAOYSA-N 1 0 300.446 3.448 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000536625330 313773137 /nfs/dbraw/zinc/77/31/37/313773137.db2.gz IAMKEZMHFRYKGR-NSHDSACASA-N 1 0 312.816 3.388 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000537992011 313844123 /nfs/dbraw/zinc/84/41/23/313844123.db2.gz VBVCEZQMSWGWAC-SDDRHHMPSA-N 1 0 310.825 3.311 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000537992014 313844230 /nfs/dbraw/zinc/84/42/30/313844230.db2.gz VBVCEZQMSWGWAC-SRVKXCTJSA-N 1 0 310.825 3.311 10 0 DGAERO COC[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000538276355 313853862 /nfs/dbraw/zinc/85/38/62/313853862.db2.gz PTXHSXNPWCWIPR-GOSISDBHSA-N 1 0 315.388 3.280 10 0 DGAERO CC(C)CCOc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000538315505 313856438 /nfs/dbraw/zinc/85/64/38/313856438.db2.gz HPXZLLDKMLCXTG-UHFFFAOYSA-N 1 0 306.450 3.135 10 0 DGAERO CCCCc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)NCC)C2)cc1 ZINC000539059151 313897237 /nfs/dbraw/zinc/89/72/37/313897237.db2.gz NZKJIWHCJVQDAF-QAPCUYQASA-N 1 0 317.477 3.484 10 0 DGAERO COc1ccc([C@H]2CCCC[C@H]2[NH2+]Cc2ccn(C)n2)cc1F ZINC000540145854 313948501 /nfs/dbraw/zinc/94/85/01/313948501.db2.gz ZLGDZSVFXRFAMK-NVXWUHKLSA-N 1 0 317.408 3.384 10 0 DGAERO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccn(C)n2)cc1F ZINC000540145855 313948589 /nfs/dbraw/zinc/94/85/89/313948589.db2.gz ZLGDZSVFXRFAMK-RDJZCZTQSA-N 1 0 317.408 3.384 10 0 DGAERO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000540733023 313974027 /nfs/dbraw/zinc/97/40/27/313974027.db2.gz GHLUTJVFVVNACS-HUUCEWRRSA-N 1 0 324.350 3.260 10 0 DGAERO CCNC(=O)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000540822089 313977753 /nfs/dbraw/zinc/97/77/53/313977753.db2.gz OQNIYOOOMFGQBG-QAPCUYQASA-N 1 0 302.462 3.292 10 0 DGAERO CC[C@H]1CCC[C@H](C[NH2+]Cc2n[nH]cc2Br)C1 ZINC000541374527 314012310 /nfs/dbraw/zinc/01/23/10/314012310.db2.gz OSELGCCNCDPCTI-QWRGUYRKSA-N 1 0 300.244 3.478 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000541493826 314018258 /nfs/dbraw/zinc/01/82/58/314018258.db2.gz XNDQSSISTNLDOG-IAGOWNOFSA-N 1 0 307.482 3.105 10 0 DGAERO CC(C)[N@H+](C)CCN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541742487 314035332 /nfs/dbraw/zinc/03/53/32/314035332.db2.gz ZIZMPMRYTXRQNU-QGZVFWFLSA-N 1 0 320.868 3.093 10 0 DGAERO CCOc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1Cl ZINC000541848786 314042215 /nfs/dbraw/zinc/04/22/15/314042215.db2.gz KCOZYDIRKDGWSU-UHFFFAOYSA-N 1 0 313.829 3.154 10 0 DGAERO c1cc(OCC[NH+]2CCCCC2)ccc1OCCOCC1CC1 ZINC000542052856 314055175 /nfs/dbraw/zinc/05/51/75/314055175.db2.gz ZOZATANHYLKQFW-UHFFFAOYSA-N 1 0 319.445 3.357 10 0 DGAERO C[C@@H]1C[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000542318937 314069227 /nfs/dbraw/zinc/06/92/27/314069227.db2.gz BOWAPLQTKDBXTC-ZJUUUORDSA-N 1 0 311.216 3.320 10 0 DGAERO CC(C)CCC[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000543159889 314117239 /nfs/dbraw/zinc/11/72/39/314117239.db2.gz IYBVQZYMAWNRTJ-AWEZNQCLSA-N 1 0 316.367 3.128 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000543199320 314120423 /nfs/dbraw/zinc/12/04/23/314120423.db2.gz YQVVRDUJKBDWPM-KZNAEPCWSA-N 1 0 321.509 3.352 10 0 DGAERO CC[C@@H]([NH2+]Cc1nc(-c2ccc(C)cc2)no1)[C@@H]1CCCO1 ZINC000543495557 314139862 /nfs/dbraw/zinc/13/98/62/314139862.db2.gz ZVEWJUBWJMYJNS-CABCVRRESA-N 1 0 301.390 3.092 10 0 DGAERO Cc1ccc(-c2cccc(C[N@@H+]3CCN4CCOC[C@H]4C3)c2)cc1 ZINC000543621085 314145691 /nfs/dbraw/zinc/14/56/91/314145691.db2.gz FALJCXWKFMNUHE-OAQYLSRUSA-N 1 0 322.452 3.178 10 0 DGAERO CCCC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)C1CCC1 ZINC000544411083 314190979 /nfs/dbraw/zinc/19/09/79/314190979.db2.gz OUIMVQDYOJKFIM-OAHLLOKOSA-N 1 0 318.417 3.302 10 0 DGAERO COC(=O)c1ccc(-c2nc(C[NH2+]C3(C4CC4)CC3)co2)cc1 ZINC000544415494 314192055 /nfs/dbraw/zinc/19/20/55/314192055.db2.gz RSTKIRXSULDEDT-UHFFFAOYSA-N 1 0 312.369 3.160 10 0 DGAERO CC(C)Oc1ccccc1[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000544625530 314204047 /nfs/dbraw/zinc/20/40/47/314204047.db2.gz FTXXVVLIXPKMNH-OAHLLOKOSA-N 1 0 321.465 3.128 10 0 DGAERO Cc1cccc([C@@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)c1C ZINC000545151180 314228384 /nfs/dbraw/zinc/22/83/84/314228384.db2.gz NSCAGMXZJAAXAW-QGZVFWFLSA-N 1 0 315.461 3.316 10 0 DGAERO CC1=CCN(CC[NH2+][C@H](C)CCc2n[nH]c3ccccc32)CC1 ZINC000545158774 314228705 /nfs/dbraw/zinc/22/87/05/314228705.db2.gz MTQKCRSACVGOKH-MRXNPFEDSA-N 1 0 312.461 3.126 10 0 DGAERO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccncc1C#N ZINC000547504006 314374517 /nfs/dbraw/zinc/37/45/17/314374517.db2.gz GEPOIUBFQNAEEA-INIZCTEOSA-N 1 0 320.440 3.362 10 0 DGAERO C[C@](O)(C[NH2+]Cc1nccn1-c1ccccc1)C1CCCCC1 ZINC000564792741 315200114 /nfs/dbraw/zinc/20/01/14/315200114.db2.gz XXAQYYGXCZPWGL-IBGZPJMESA-N 1 0 313.445 3.293 10 0 DGAERO c1ccc([C@@H]2CCCC[C@@H]([NH2+]CCN3CCCOCC3)C2)cc1 ZINC000565390723 315258014 /nfs/dbraw/zinc/25/80/14/315258014.db2.gz NTYNAAXIDSBPSH-WOJBJXKFSA-N 1 0 316.489 3.415 10 0 DGAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CC(C(C)(C)C)C2)cc1 ZINC000576748500 316162983 /nfs/dbraw/zinc/16/29/83/316162983.db2.gz JNALOPHGJSLKGC-JCYILVPMSA-N 1 0 319.445 3.043 10 0 DGAERO CC[C@@H]([NH2+]Cc1nnnn1C(C)C)C(C)(C)c1ccccc1 ZINC000180012123 323219632 /nfs/dbraw/zinc/21/96/32/323219632.db2.gz ASEOQPSYNSLCAY-OAHLLOKOSA-N 1 0 301.438 3.100 10 0 DGAERO CCC[N@@H+](Cc1cn(C)nc1C(C)(C)C)C[C@H]1CCCCO1 ZINC000180068705 323220873 /nfs/dbraw/zinc/22/08/73/323220873.db2.gz DSPVWGCGMSTHNC-MRXNPFEDSA-N 1 0 307.482 3.499 10 0 DGAERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1C ZINC000180111165 323221384 /nfs/dbraw/zinc/22/13/84/323221384.db2.gz WPWKJCUUSAUBNK-RBUKOAKNSA-N 1 0 308.425 3.479 10 0 DGAERO CCOc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180189468 323223216 /nfs/dbraw/zinc/22/32/16/323223216.db2.gz HINPGEQNPHCJOT-RBUKOAKNSA-N 1 0 324.424 3.261 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC23CCCCC3)CC1 ZINC000180549184 323231977 /nfs/dbraw/zinc/23/19/77/323231977.db2.gz VSVVWJPNSPXRCJ-MRXNPFEDSA-N 1 0 307.482 3.130 10 0 DGAERO Cc1ccc([C@@H](C[NH2+][C@@H](C)C(C)(C)C)N2CCOCC2)s1 ZINC000180655920 323234641 /nfs/dbraw/zinc/23/46/41/323234641.db2.gz NASNBMABGIIDJY-LSDHHAIUSA-N 1 0 310.507 3.454 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1)C(C)C ZINC000180658806 323235420 /nfs/dbraw/zinc/23/54/20/323235420.db2.gz JWJODQVKEOZMEN-CVEARBPZSA-N 1 0 310.507 3.454 10 0 DGAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000180657476 323235683 /nfs/dbraw/zinc/23/56/83/323235683.db2.gz MHOKIVQXIBTXHG-IMJJTQAJSA-N 1 0 310.507 3.454 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(F)c(Cl)c1F ZINC000181136760 323246571 /nfs/dbraw/zinc/24/65/71/323246571.db2.gz WUVOWMNSALXATG-SNVBAGLBSA-N 1 0 316.779 3.222 10 0 DGAERO CSCCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181305070 323251815 /nfs/dbraw/zinc/25/18/15/323251815.db2.gz HBLIOHMALXWOOV-HNNXBMFYSA-N 1 0 316.474 3.404 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(CC)CC ZINC000181466656 323255736 /nfs/dbraw/zinc/25/57/36/323255736.db2.gz BGUZQLLOFSKZJX-IAGOWNOFSA-N 1 0 324.509 3.207 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000181674387 323263008 /nfs/dbraw/zinc/26/30/08/323263008.db2.gz XVDRXMOOEGRAAN-INIZCTEOSA-N 1 0 310.445 3.483 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCCc2nc(C(C)C)no2)C12CCCC2 ZINC000181666905 323263260 /nfs/dbraw/zinc/26/32/60/323263260.db2.gz LXKFLZFREFIXOJ-CABCVRRESA-N 1 0 321.465 3.453 10 0 DGAERO Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)sc1C ZINC000182041262 323281358 /nfs/dbraw/zinc/28/13/58/323281358.db2.gz JFICQXCDWQROTG-LBPRGKRZSA-N 1 0 313.430 3.191 10 0 DGAERO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000182047907 323281516 /nfs/dbraw/zinc/28/15/16/323281516.db2.gz HPTNBNZOTLRUCQ-MRXNPFEDSA-N 1 0 321.428 3.054 10 0 DGAERO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)C)cc1)[C@H]1CCCO1 ZINC000182278675 323290226 /nfs/dbraw/zinc/29/02/26/323290226.db2.gz REVFTXDVHUULBI-IAGOWNOFSA-N 1 0 304.434 3.296 10 0 DGAERO CCOC(=O)CCCCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182300112 323291865 /nfs/dbraw/zinc/29/18/65/323291865.db2.gz RANTZPOFICHBRJ-CYBMUJFWSA-N 1 0 307.390 3.189 10 0 DGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)CCCC(C)C)C2=O)n(C)n1 ZINC000182336953 323294515 /nfs/dbraw/zinc/29/45/15/323294515.db2.gz MCLNOEXUPOPNNS-HOCLYGCPSA-N 1 0 320.481 3.028 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000182397050 323296484 /nfs/dbraw/zinc/29/64/84/323296484.db2.gz DWVBERFRBRPLIT-JQWIXIFHSA-N 1 0 302.249 3.303 10 0 DGAERO CCC[C@@H](C(=O)Nc1nc2cc(C)ccc2n1CC)[NH+](C)C ZINC000182477067 323300626 /nfs/dbraw/zinc/30/06/26/323300626.db2.gz MJSPIBPMXOUZNI-HNNXBMFYSA-N 1 0 302.422 3.033 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC[N@@H+](C)C(C)C)cc1Cl ZINC000182513505 323303092 /nfs/dbraw/zinc/30/30/92/323303092.db2.gz YASURYGBDDUXBM-UHFFFAOYSA-N 1 0 311.813 3.004 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC2CC[NH+](C)CC2)cc1Cl ZINC000182513981 323303198 /nfs/dbraw/zinc/30/31/98/323303198.db2.gz FRBINNLXSLLHOF-UHFFFAOYSA-N 1 0 323.824 3.006 10 0 DGAERO COC[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)c1ccc(F)c(F)c1 ZINC000183010138 323319541 /nfs/dbraw/zinc/31/95/41/323319541.db2.gz IBUQNDDKTITICT-IAGOWNOFSA-N 1 0 315.404 3.429 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000183096278 323325100 /nfs/dbraw/zinc/32/51/00/323325100.db2.gz ZJUKGXDMRVYDDT-QAPCUYQASA-N 1 0 318.509 3.382 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H]2c3ccccc3CCC2(C)C)on1 ZINC000183131744 323326971 /nfs/dbraw/zinc/32/69/71/323326971.db2.gz DMNMXNGICSKMKT-KRWDZBQOSA-N 1 0 313.401 3.225 10 0 DGAERO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000183249720 323331312 /nfs/dbraw/zinc/33/13/12/323331312.db2.gz HGIUTBRVPFSEOC-RHSMWYFYSA-N 1 0 311.491 3.353 10 0 DGAERO Cc1nc2c(s1)[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)CCC2 ZINC000183486309 323339829 /nfs/dbraw/zinc/33/98/29/323339829.db2.gz ZNVCFVNQHWIOGI-HNNXBMFYSA-N 1 0 318.490 3.402 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000183492977 323340082 /nfs/dbraw/zinc/34/00/82/323340082.db2.gz CYBVJVXQUANVFH-GOSISDBHSA-N 1 0 313.445 3.473 10 0 DGAERO Clc1cnc(OCC[NH2+][C@H]2CCCSC2)c(Cl)c1 ZINC000183618425 323343732 /nfs/dbraw/zinc/34/37/32/323343732.db2.gz QFEMZRGOMGNYPS-JTQLQIEISA-N 1 0 307.246 3.252 10 0 DGAERO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000183646983 323344423 /nfs/dbraw/zinc/34/44/23/323344423.db2.gz SIDBGZUPMLJXFQ-SJORKVTESA-N 1 0 311.441 3.158 10 0 DGAERO Cc1nnc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)n1C1CC1 ZINC000183649175 323344643 /nfs/dbraw/zinc/34/46/43/323344643.db2.gz PSTHKSYALWFMFR-KRWDZBQOSA-N 1 0 316.424 3.417 10 0 DGAERO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCCn1ccnn1)CCCO2 ZINC000184274198 323360976 /nfs/dbraw/zinc/36/09/76/323360976.db2.gz UJJGCHVWKFQFNE-HNNXBMFYSA-N 1 0 320.824 3.134 10 0 DGAERO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCn1ccnn1 ZINC000184269487 323361128 /nfs/dbraw/zinc/36/11/28/323361128.db2.gz PVGSRCQYGNJAHX-GFCCVEGCSA-N 1 0 308.813 3.071 10 0 DGAERO CC[C@@H](NCC(=O)N(CC)C1CCCCC1)c1nccs1 ZINC000185040305 323379743 /nfs/dbraw/zinc/37/97/43/323379743.db2.gz WAHKPHWMCVKHMT-CQSZACIVSA-N 1 0 309.479 3.365 10 0 DGAERO C[C@H](NCc1cn2ccsc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738643 323393925 /nfs/dbraw/zinc/39/39/25/323393925.db2.gz KUGXNNNCGDUTOR-UONOGXRCSA-N 1 0 318.490 3.138 10 0 DGAERO CCO[C@H](CC[NH2+]Cc1ccc2c(c1)sc(=O)n2C)C(C)C ZINC000192613317 323456551 /nfs/dbraw/zinc/45/65/51/323456551.db2.gz KEAWPWLNZSGXRD-OAHLLOKOSA-N 1 0 322.474 3.141 10 0 DGAERO CC(=O)c1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)s1 ZINC000351085753 323541990 /nfs/dbraw/zinc/54/19/90/323541990.db2.gz XCVAHBJHFVFUQH-UHFFFAOYSA-N 1 0 310.338 3.315 10 0 DGAERO CC/C=C\C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000384945902 323630193 /nfs/dbraw/zinc/63/01/93/323630193.db2.gz UTAIOIXPPLWPBQ-BYCRGOAPSA-N 1 0 304.217 3.289 10 0 DGAERO OC[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C1CCCC1 ZINC000386366895 323637573 /nfs/dbraw/zinc/63/75/73/323637573.db2.gz PBJVJYYBQJEDNK-CQSZACIVSA-N 1 0 316.214 3.229 10 0 DGAERO c1cnc(N2CCC[C@H]([NH2+]CCC3CCCCCC3)C2)nc1 ZINC000394574294 323675790 /nfs/dbraw/zinc/67/57/90/323675790.db2.gz OBRARYCLCISVQB-KRWDZBQOSA-N 1 0 302.466 3.396 10 0 DGAERO Cc1ccc(C[NH2+][C@](C)(CO)C(C)C)c(Br)c1 ZINC000398540017 323682931 /nfs/dbraw/zinc/68/29/31/323682931.db2.gz KKUTXQGVGQKUOG-CQSZACIVSA-N 1 0 300.240 3.254 10 0 DGAERO C[N@H+](C[C@H](O)CC(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000581138939 324079874 /nfs/dbraw/zinc/07/98/74/324079874.db2.gz XPYZZSYUQGNKGV-KXUCPTDWSA-N 1 0 307.278 3.353 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C2CCC(NC(C)=O)CC2)cc1Cl ZINC000582896976 324289172 /nfs/dbraw/zinc/28/91/72/324289172.db2.gz QXHBXMYERXYWEK-VCANKDNSSA-N 1 0 324.852 3.447 10 0 DGAERO Cc1cccnc1CC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000583066719 324308049 /nfs/dbraw/zinc/30/80/49/324308049.db2.gz UDHPTKFMIKOBCR-GFCCVEGCSA-N 1 0 320.234 3.441 10 0 DGAERO O=C(N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)OCc1ccccc1 ZINC000584600994 337370791 /nfs/dbraw/zinc/37/07/91/337370791.db2.gz FRBAWMOAZMMZNK-ZWKOTPCHSA-N 1 0 310.397 3.406 10 0 DGAERO [NH3+]CCc1ccccc1-c1cncn1CCc1ccc(F)cc1 ZINC000584595032 337373909 /nfs/dbraw/zinc/37/39/09/337373909.db2.gz VCCVJPCQGJOCQL-UHFFFAOYSA-N 1 0 309.388 3.433 10 0 DGAERO COCC1([NH2+]Cc2ccc(Br)c(F)c2)CCC1 ZINC000341226964 500806508 /nfs/dbraw/zinc/80/65/08/500806508.db2.gz JSBNUTCOWULBFA-UHFFFAOYSA-N 1 0 302.187 3.247 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1OC ZINC000187844220 533760292 /nfs/dbraw/zinc/76/02/92/533760292.db2.gz GURWQJUJYXBOSA-UKRRQHHQSA-N 1 0 307.434 3.182 10 0 DGAERO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC12CCC2)c1ccccc1 ZINC000435507591 533782639 /nfs/dbraw/zinc/78/26/39/533782639.db2.gz NBCFTJBUCZQHEF-HNNXBMFYSA-N 1 0 315.461 3.454 10 0 DGAERO CCc1oc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1C ZINC000124206616 517874680 /nfs/dbraw/zinc/87/46/80/517874680.db2.gz MKZKJGVBYZDDPI-UHFFFAOYSA-N 1 0 316.401 3.343 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000302575824 534382844 /nfs/dbraw/zinc/38/28/44/534382844.db2.gz CPNVRKXISSUEHI-MFKMUULPSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000180620604 518921582 /nfs/dbraw/zinc/92/15/82/518921582.db2.gz UOYUZCHEMUDPGZ-GFCCVEGCSA-N 1 0 304.203 3.085 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)c2ccco2)CC1 ZINC000157820046 519842361 /nfs/dbraw/zinc/84/23/61/519842361.db2.gz IMBILFAYCXRHKD-AWEZNQCLSA-N 1 0 307.438 3.104 10 0 DGAERO Cc1ccc2[nH+]ccc(NCCNC(=O)c3ccccc3)c2c1 ZINC000302144370 534522363 /nfs/dbraw/zinc/52/23/63/534522363.db2.gz GVBDUYAAAFGIIA-UHFFFAOYSA-N 1 0 305.381 3.385 10 0 DGAERO C[NH2+]CCC1CCN(Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000262119183 521983528 /nfs/dbraw/zinc/98/35/28/521983528.db2.gz LULSGKXPTVVNAA-UHFFFAOYSA-N 1 0 321.412 3.292 10 0 DGAERO CC[C@@H](C)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000154595508 521987640 /nfs/dbraw/zinc/98/76/40/521987640.db2.gz VUTUCNLAHIFTEP-OAHLLOKOSA-N 1 0 300.446 3.334 10 0 DGAERO CN(CC[NH+]1CCC([C@H]2CCCO2)CC1)Cc1ccc(F)cc1 ZINC000189175191 522822974 /nfs/dbraw/zinc/82/29/74/522822974.db2.gz WYHPPHJIEFZBTJ-LJQANCHMSA-N 1 0 320.452 3.149 10 0 DGAERO CCc1oc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000156978226 522976875 /nfs/dbraw/zinc/97/68/75/522976875.db2.gz AETQMYXGONHFFJ-HNNXBMFYSA-N 1 0 304.434 3.241 10 0 DGAERO CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)n1 ZINC000070456215 523821811 /nfs/dbraw/zinc/82/18/11/523821811.db2.gz LTPMRMOXHOLRAQ-CYBMUJFWSA-N 1 0 314.408 3.257 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000163440543 523829487 /nfs/dbraw/zinc/82/94/87/523829487.db2.gz ISIMZLPZGLHBDB-GOEBONIOSA-N 1 0 302.418 3.194 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000163307973 523835225 /nfs/dbraw/zinc/83/52/25/523835225.db2.gz SKBPLXPAQPZATM-NEPJUHHUSA-N 1 0 302.871 3.163 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccnc(C2CC2)n1 ZINC000156843242 524628654 /nfs/dbraw/zinc/62/86/54/524628654.db2.gz GUYAKTZYMAOKHZ-INIZCTEOSA-N 1 0 322.456 3.455 10 0 DGAERO Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CCO1 ZINC000328625188 534816129 /nfs/dbraw/zinc/81/61/29/534816129.db2.gz CXSSUXRKVWIVML-KBXCAEBGSA-N 1 0 311.385 3.176 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN(C)CC2([NH+](C)C)CCC2)s1 ZINC000186970030 534879369 /nfs/dbraw/zinc/87/93/69/534879369.db2.gz JJJZGYNTULNAGE-UHFFFAOYSA-N 1 0 321.412 3.386 10 0 DGAERO O=C(c1cccc(Cl)c1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154639609 526760810 /nfs/dbraw/zinc/76/08/10/526760810.db2.gz INJNMSGKMDTXEB-UHFFFAOYSA-N 1 0 324.827 3.427 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000155016918 527122166 /nfs/dbraw/zinc/12/21/66/527122166.db2.gz LBBIWUKJHFEFMM-HOTGVXAUSA-N 1 0 310.482 3.009 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000415438662 527302455 /nfs/dbraw/zinc/30/24/55/527302455.db2.gz BVHQKAMDVLLPPT-LBPRGKRZSA-N 1 0 323.824 3.135 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@](C)(C[NH3+])C(C)C)cc1Cl ZINC000415440121 527309622 /nfs/dbraw/zinc/30/96/22/527309622.db2.gz DLIUANYXUBYTIA-OAHLLOKOSA-N 1 0 311.813 3.038 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441206631 527402444 /nfs/dbraw/zinc/40/24/44/527402444.db2.gz XGZXDTFECQOSHO-DLBZAZTESA-N 1 0 317.429 3.017 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000157784205 527585626 /nfs/dbraw/zinc/58/56/26/527585626.db2.gz FIQZYFQGMSZIEU-UKRRQHHQSA-N 1 0 322.497 3.148 10 0 DGAERO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC23CCC3)CC1 ZINC000435559364 527722651 /nfs/dbraw/zinc/72/26/51/527722651.db2.gz PMOQAEWYIGWDQU-UHFFFAOYSA-N 1 0 307.482 3.083 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCC2CCCC2)[C@H](C)C1 ZINC000178694582 527747390 /nfs/dbraw/zinc/74/73/90/527747390.db2.gz UQEGPAXUVAHLTC-NVXWUHKLSA-N 1 0 309.498 3.329 10 0 DGAERO CC1(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000174995987 527947662 /nfs/dbraw/zinc/94/76/62/527947662.db2.gz MLYFYWRBGLULOW-KRWDZBQOSA-N 1 0 321.509 3.474 10 0 DGAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434988212 528436350 /nfs/dbraw/zinc/43/63/50/528436350.db2.gz YXCMPPMCZUHZFT-QGZVFWFLSA-N 1 0 303.406 3.043 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)CCCC[C@@H](C)C(C)=O)CC1 ZINC000155004291 528455193 /nfs/dbraw/zinc/45/51/93/528455193.db2.gz NTNFIVORCFXSFA-OAHLLOKOSA-N 1 0 310.482 3.153 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000175401925 528517791 /nfs/dbraw/zinc/51/77/91/528517791.db2.gz VEWQZUSZIBCLTK-OCCSQVGLSA-N 1 0 323.412 3.171 10 0 DGAERO CC(C)Cc1nsc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000302309201 528685568 /nfs/dbraw/zinc/68/55/68/528685568.db2.gz SFQQLYKPXKOHIO-CQSZACIVSA-N 1 0 308.495 3.049 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2ccccc2C)C[C@@H]1CC ZINC000175905298 528750406 /nfs/dbraw/zinc/75/04/06/528750406.db2.gz NGOXPKGBLSIBBV-FQEVSTJZSA-N 1 0 318.505 3.360 10 0 DGAERO CC[N@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1c[nH]c2ccccc12 ZINC000443859482 528760756 /nfs/dbraw/zinc/76/07/56/528760756.db2.gz YREXVTJWDVBYAH-UHFFFAOYSA-N 1 0 311.385 3.305 10 0 DGAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175297196 528968362 /nfs/dbraw/zinc/96/83/62/528968362.db2.gz UJRRQMGUGUYVOZ-XYJFISCASA-N 1 0 317.477 3.383 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000176075353 529068677 /nfs/dbraw/zinc/06/86/77/529068677.db2.gz OPWKEPKDUREDGX-MRXNPFEDSA-N 1 0 318.461 3.420 10 0 DGAERO CCSCC[C@@H](C)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000132300104 529189107 /nfs/dbraw/zinc/18/91/07/529189107.db2.gz GKWWJPPEASVXGM-SJLPKXTDSA-N 1 0 306.519 3.425 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCC[C@@H](C)C(C)=O ZINC000155359928 529271616 /nfs/dbraw/zinc/27/16/16/529271616.db2.gz JGUUMEZAQLCQOA-NVXWUHKLSA-N 1 0 310.482 3.153 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC2(CO)CCCC2)cc1 ZINC000473070821 534954799 /nfs/dbraw/zinc/95/47/99/534954799.db2.gz GAMIMAZSILEDDF-UHFFFAOYSA-N 1 0 319.445 3.284 10 0 DGAERO CC/C=C\CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000458961074 535248150 /nfs/dbraw/zinc/24/81/50/535248150.db2.gz CQDMQQWQLZAGRB-SVEBXFOSSA-N 1 0 307.482 3.250 10 0 DGAERO CC[NH+](CC)CC1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000475057832 535498810 /nfs/dbraw/zinc/49/88/10/535498810.db2.gz JICBPLOMIGZJPQ-UHFFFAOYSA-N 1 0 314.433 3.295 10 0 DGAERO CC[C@@H](C)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000487926194 535585909 /nfs/dbraw/zinc/58/59/09/535585909.db2.gz QCGXNOMVWSGKJA-QAPCUYQASA-N 1 0 303.450 3.139 10 0 DGAERO CCC[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CCN1CCOC ZINC000459361891 535742913 /nfs/dbraw/zinc/74/29/13/535742913.db2.gz SMMBFHVUJUWCDR-UFYCRDLUSA-N 1 0 316.489 3.223 10 0 DGAERO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(C)cc(OC)c2C)C[C@@H]1C ZINC000489724417 535775529 /nfs/dbraw/zinc/77/55/29/535775529.db2.gz LIEUVOZOUPZDLM-UONOGXRCSA-N 1 0 319.449 3.258 10 0 DGAERO COC1([C@@H](C)[NH2+]CC(C)(C)c2ccccc2C)CCOCC1 ZINC000453098794 536706571 /nfs/dbraw/zinc/70/65/71/536706571.db2.gz SLTXNVWQSJHLBF-MRXNPFEDSA-N 1 0 305.462 3.446 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000471782506 536706962 /nfs/dbraw/zinc/70/69/62/536706962.db2.gz SRNHRGMLXZSIKI-FPMFFAJLSA-N 1 0 302.418 3.134 10 0 DGAERO C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000074019421 545720384 /nfs/dbraw/zinc/72/03/84/545720384.db2.gz ONSMGLONPQRJMD-MRXNPFEDSA-N 1 0 315.461 3.224 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089454038 545815147 /nfs/dbraw/zinc/81/51/47/545815147.db2.gz REHFKUTVIMFXQE-CMPLNLGQSA-N 1 0 311.223 3.071 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000089453932 545815043 /nfs/dbraw/zinc/81/50/43/545815043.db2.gz GCOCPXFCVUDAME-YPMHNXCESA-N 1 0 310.825 3.441 10 0 DGAERO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1Cl ZINC000111246020 545873091 /nfs/dbraw/zinc/87/30/91/545873091.db2.gz HULGGYBLJFRNRA-NOZJJQNGSA-N 1 0 320.742 3.059 10 0 DGAERO Clc1ccc(Cl)c(C[NH2+]CCCn2ccnn2)c1Cl ZINC000126601152 545923187 /nfs/dbraw/zinc/92/31/87/545923187.db2.gz SVBGKFXXTNFMGL-UHFFFAOYSA-N 1 0 319.623 3.418 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C/C=C/c2cccc(F)c2)CC1 ZINC000129488897 545942774 /nfs/dbraw/zinc/94/27/74/545942774.db2.gz KECJOAKXGFNVFU-GQCTYLIASA-N 1 0 318.436 3.466 10 0 DGAERO C[C@H](NC(=O)NCC[NH+](C)C)c1c(Cl)ccc(F)c1Cl ZINC000133492363 545969109 /nfs/dbraw/zinc/96/91/09/545969109.db2.gz PINWRJKXVPINPX-QMMMGPOBSA-N 1 0 322.211 3.054 10 0 DGAERO Brc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000136080112 545981069 /nfs/dbraw/zinc/98/10/69/545981069.db2.gz GOPKAIHVPYRULT-OAHLLOKOSA-N 1 0 320.234 3.310 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000136349959 545981627 /nfs/dbraw/zinc/98/16/27/545981627.db2.gz QDUQRGWCNWAXRK-CHWSQXEVSA-N 1 0 312.866 3.367 10 0 DGAERO Cc1nc(-c2ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc2)cs1 ZINC000136428464 545982162 /nfs/dbraw/zinc/98/21/62/545982162.db2.gz HQNMXLYTFSDWCV-CQSZACIVSA-N 1 0 303.431 3.430 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[N@H+]2[C@H](C)COC[C@@H]2C)c(C)c1 ZINC000137619017 545983943 /nfs/dbraw/zinc/98/39/43/545983943.db2.gz HQJXTPZBBJCDDQ-CALCHBBNSA-N 1 0 318.461 3.440 10 0 DGAERO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000151777953 545996673 /nfs/dbraw/zinc/99/66/73/545996673.db2.gz DQYVKGVOFGIFGT-XLIONFOSSA-N 1 0 316.489 3.130 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CCc3ccc(F)cc31)CC2 ZINC000175005100 546110291 /nfs/dbraw/zinc/11/02/91/546110291.db2.gz NOYBSGZTGGAXQH-GOEBONIOSA-N 1 0 314.408 3.133 10 0 DGAERO CCC1(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCC1 ZINC000175876205 546114270 /nfs/dbraw/zinc/11/42/70/546114270.db2.gz RMTTZYJKYOPMAJ-OAHLLOKOSA-N 1 0 319.449 3.439 10 0 DGAERO CC(C)c1ccc([C@H](C)NC(=O)C2([NH3+])Cc3ccccc3C2)cc1 ZINC000178337005 546129507 /nfs/dbraw/zinc/12/95/07/546129507.db2.gz LYLSLMXDKLUAES-HNNXBMFYSA-N 1 0 322.452 3.484 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1nc2ccccc2nc1C ZINC000179037010 546133176 /nfs/dbraw/zinc/13/31/76/546133176.db2.gz ANCGITNCDSXUKA-UHFFFAOYSA-N 1 0 312.442 3.459 10 0 DGAERO O[C@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)CN1CCCCC1 ZINC000179405339 546135774 /nfs/dbraw/zinc/13/57/74/546135774.db2.gz HAXSNAPPRPEHEY-SJLPKXTDSA-N 1 0 322.518 3.416 10 0 DGAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000179906078 546138696 /nfs/dbraw/zinc/13/86/96/546138696.db2.gz MAWMUGPTDDMDJM-KRWDZBQOSA-N 1 0 313.445 3.198 10 0 DGAERO CCc1csc([C@@H]2CCC[N@H+](Cc3cn(C)nc3CC)C2)n1 ZINC000179969782 546140394 /nfs/dbraw/zinc/14/03/94/546140394.db2.gz AOINHVOJNCYRNY-CYBMUJFWSA-N 1 0 318.490 3.381 10 0 DGAERO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000180184867 546142703 /nfs/dbraw/zinc/14/27/03/546142703.db2.gz OHFMIAXLDAOLNV-MRVPVSSYSA-N 1 0 312.186 3.471 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000181032613 546150544 /nfs/dbraw/zinc/15/05/44/546150544.db2.gz KIEQDLYBUDJIAV-YMRXKLBXSA-N 1 0 318.852 3.468 10 0 DGAERO Cn1c(C[N@@H+]2CCC[C@H]2Cc2ccccc2)nnc1C1CCC1 ZINC000181049079 546151609 /nfs/dbraw/zinc/15/16/09/546151609.db2.gz JIESKDUDLYGEBE-KRWDZBQOSA-N 1 0 310.445 3.290 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1)CS(C)(=O)=O ZINC000181504085 546157869 /nfs/dbraw/zinc/15/78/69/546157869.db2.gz GVEGDJULDGIDFR-ZIAGYGMSSA-N 1 0 305.443 3.171 10 0 DGAERO Cc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000181633451 546159285 /nfs/dbraw/zinc/15/92/85/546159285.db2.gz HYHYMXJAISMDMV-CYBMUJFWSA-N 1 0 318.367 3.240 10 0 DGAERO Cc1ccnc(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000184137716 546180554 /nfs/dbraw/zinc/18/05/54/546180554.db2.gz UVDWDKQPUXYLJE-HNNXBMFYSA-N 1 0 312.417 3.032 10 0 DGAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(CO)CCC1 ZINC000184522947 546182863 /nfs/dbraw/zinc/18/28/63/546182863.db2.gz HCPKOZKXDLNFNP-ZDUSSCGKSA-N 1 0 313.388 3.361 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)CC2([NH+](C)C)CCC2)cc1F ZINC000189983635 546215392 /nfs/dbraw/zinc/21/53/92/546215392.db2.gz ADRDJAZQGDUEAV-AWEZNQCLSA-N 1 0 321.440 3.321 10 0 DGAERO Cc1c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)ccn1C ZINC000192542177 546233199 /nfs/dbraw/zinc/23/31/99/546233199.db2.gz SCMIDTNJKSPIPH-UHFFFAOYSA-N 1 0 311.429 3.490 10 0 DGAERO Cc1c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)ccn1C ZINC000192571936 546234514 /nfs/dbraw/zinc/23/45/14/546234514.db2.gz FRSFFAUKDFSSIY-UHFFFAOYSA-N 1 0 311.429 3.224 10 0 DGAERO COc1cccc(CN[C@@H](C[NH+](C)C)c2ccccc2)c1F ZINC000192662909 546235382 /nfs/dbraw/zinc/23/53/82/546235382.db2.gz AMYCLZFZHJNHMD-INIZCTEOSA-N 1 0 302.393 3.227 10 0 DGAERO OC1CCC(C[NH2+]Cc2ccc(Br)s2)CC1 ZINC000227631019 546268993 /nfs/dbraw/zinc/26/89/93/546268993.db2.gz NELXNPXDCWPPFB-UHFFFAOYSA-N 1 0 304.253 3.151 10 0 DGAERO CN1CCC[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000227817599 546269131 /nfs/dbraw/zinc/26/91/31/546269131.db2.gz RZLXLGOXAKAZCW-MRVPVSSYSA-N 1 0 323.687 3.348 10 0 DGAERO COCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000230656118 546274865 /nfs/dbraw/zinc/27/48/65/546274865.db2.gz RQJYVNSZVIOBIT-CQSZACIVSA-N 1 0 322.449 3.226 10 0 DGAERO CC[N@@H+]1CCC[C@H](Nc2ncc(Br)cc2Cl)C1 ZINC000233497993 546277838 /nfs/dbraw/zinc/27/78/38/546277838.db2.gz XHHTXKMAXZEYHY-JTQLQIEISA-N 1 0 318.646 3.394 10 0 DGAERO [NH3+]C1(CC(=O)NCc2ccccc2OCc2ccccc2)CCC1 ZINC000238000213 546290949 /nfs/dbraw/zinc/29/09/49/546290949.db2.gz UOJIJJGCRIGQDL-UHFFFAOYSA-N 1 0 324.424 3.153 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1C ZINC000245759069 546299639 /nfs/dbraw/zinc/29/96/39/546299639.db2.gz PIAKNELEDLRWPZ-PKOBYXMFSA-N 1 0 303.446 3.439 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000246058908 546301684 /nfs/dbraw/zinc/30/16/84/546301684.db2.gz YXZVYBDVWPQNCM-HKJPBSJPSA-N 1 0 320.387 3.092 10 0 DGAERO CCc1nn(C)cc1C[N@H+]1CCN(c2ccccc2)C[C@H]1CC ZINC000248398799 546316792 /nfs/dbraw/zinc/31/67/92/546316792.db2.gz URCDRQPPSVFHHO-QGZVFWFLSA-N 1 0 312.461 3.083 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000250039531 546328137 /nfs/dbraw/zinc/32/81/37/546328137.db2.gz WVBJIDLCJMKSOZ-JKOKRWQUSA-N 1 0 324.877 3.368 10 0 DGAERO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000250396366 546328669 /nfs/dbraw/zinc/32/86/69/546328669.db2.gz ILZIBFYRQLAMHN-GDBMZVCRSA-N 1 0 308.853 3.313 10 0 DGAERO C[C@@H]1CCCN(Cc2csc(Br)c2)[C@H]1C[NH3+] ZINC000252188797 546331224 /nfs/dbraw/zinc/33/12/24/546331224.db2.gz RHDPVUGDMHCRIQ-KOLCDFICSA-N 1 0 303.269 3.070 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261744072 546338463 /nfs/dbraw/zinc/33/84/63/546338463.db2.gz IOFWNVWSVPNSNJ-ZWQIFLOQSA-N 1 0 314.473 3.499 10 0 DGAERO CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)[O-] ZINC000263311780 546341855 /nfs/dbraw/zinc/34/18/55/546341855.db2.gz GQIGTSZFEBEGMX-HQSKLWIPSA-N 1 0 316.445 3.025 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300413946 546435694 /nfs/dbraw/zinc/43/56/94/546435694.db2.gz FXXQDGIVHIZHBA-HFAKWTLXSA-N 1 0 310.235 3.330 10 0 DGAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCOCc1ccccc1 ZINC000309786169 546451311 /nfs/dbraw/zinc/45/13/11/546451311.db2.gz GLSHPQRZLGYPLZ-GBESFXJTSA-N 1 0 303.446 3.219 10 0 DGAERO C[S@](=O)C1(C[NH2+]Cc2cc(Cl)sc2Cl)CCC1 ZINC000312612817 546452786 /nfs/dbraw/zinc/45/27/86/546452786.db2.gz YLQFNMSHAGSNMH-KRWDZBQOSA-N 1 0 312.287 3.446 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000312268200 546453122 /nfs/dbraw/zinc/45/31/22/546453122.db2.gz HOKJQJZUAYHUSK-CQSZACIVSA-N 1 0 315.230 3.162 10 0 DGAERO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312609790 546453201 /nfs/dbraw/zinc/45/32/01/546453201.db2.gz UZSUHJGIOACSQP-MRVPVSSYSA-N 1 0 309.262 3.449 10 0 DGAERO C[C@@H]1CN(Cc2csc(-c3ccsc3)n2)C[C@@]1(C)C[NH3+] ZINC000312248372 546453219 /nfs/dbraw/zinc/45/32/19/546453219.db2.gz FASIFPNJLDXRHR-IAQYHMDHSA-N 1 0 307.488 3.288 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Cl)c(Br)c1)C(C)(C)O ZINC000381252835 546739123 /nfs/dbraw/zinc/73/91/23/546739123.db2.gz PYEYNXBFVIYDLA-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000389773902 546752174 /nfs/dbraw/zinc/75/21/74/546752174.db2.gz AYMKNCUUWDJNAV-KBAYOESNSA-N 1 0 304.503 3.382 10 0 DGAERO O[C@H](CNc1cc[nH+]c2cc(C(F)(F)F)ccc12)C(F)F ZINC000435595886 546821761 /nfs/dbraw/zinc/82/17/61/546821761.db2.gz WHEFOKJDCYEKQY-LLVKDONJSA-N 1 0 306.234 3.292 10 0 DGAERO CC(C)C[C@H](CNC(=O)c1cc(O)c2ccccc2c1)[NH+](C)C ZINC000472162645 546902354 /nfs/dbraw/zinc/90/23/54/546902354.db2.gz YIZNXCHEBLFXTR-MRXNPFEDSA-N 1 0 314.429 3.252 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000479073204 546908803 /nfs/dbraw/zinc/90/88/03/546908803.db2.gz XCOODPWAHYVUBS-HYEGPXJVSA-N 1 0 309.413 3.159 10 0 DGAERO CCCNC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000480015687 546909610 /nfs/dbraw/zinc/90/96/10/546909610.db2.gz NESPKDJBKUCWTH-SFHVURJKSA-N 1 0 302.462 3.294 10 0 DGAERO COC[C@@](C)(O)C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000531966587 546978910 /nfs/dbraw/zinc/97/89/10/546978910.db2.gz ZRBMITSSSAJOKV-MOPGFXCFSA-N 1 0 305.462 3.165 10 0 DGAERO COC[C@](C)(O)C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000531966590 546979291 /nfs/dbraw/zinc/97/92/91/546979291.db2.gz ZRBMITSSSAJOKV-RTBURBONSA-N 1 0 305.462 3.165 10 0 DGAERO CN1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)c(Br)c1 ZINC000675054957 548148576 /nfs/dbraw/zinc/14/85/76/548148576.db2.gz PHTQJOXUDWOONV-BXKDBHETSA-N 1 0 303.631 3.197 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2c(F)cccc2F)C1 ZINC000675055726 548148581 /nfs/dbraw/zinc/14/85/81/548148581.db2.gz XAXFZCURRVJJJZ-MFKMUULPSA-N 1 0 312.360 3.283 10 0 DGAERO Cc1ccc(F)cc1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055087 548148652 /nfs/dbraw/zinc/14/86/52/548148652.db2.gz PZGNYDNNFGKKJN-UKRRQHHQSA-N 1 0 308.397 3.452 10 0 DGAERO COc1ccccc1[C@@H]1C[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675055858 548148734 /nfs/dbraw/zinc/14/87/34/548148734.db2.gz ZZWOBKGACOBNRH-JSGCOSHPSA-N 1 0 306.406 3.095 10 0 DGAERO Cc1ccc(F)cc1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055097 548148890 /nfs/dbraw/zinc/14/88/90/548148890.db2.gz PZGNYDNNFGKKJN-ZFWWWQNUSA-N 1 0 308.397 3.452 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(Br)cn1 ZINC000684553812 549657303 /nfs/dbraw/zinc/65/73/03/549657303.db2.gz VKTDXTYOSCKBHK-MISXGVKJSA-N 1 0 313.239 3.046 10 0 DGAERO Brc1ccc(-c2cnnn2[C@@H]2CCC[NH2+]CC2)cc1 ZINC000725265995 549812045 /nfs/dbraw/zinc/81/20/45/549812045.db2.gz DNDLKOJSJFLFNH-CYBMUJFWSA-N 1 0 321.222 3.022 10 0 DGAERO C[C@H](C(=O)OCCOc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000741029568 574525336 /nfs/dbraw/zinc/52/53/36/574525336.db2.gz QAVXMLHQYQZUSY-CQSZACIVSA-N 1 0 309.381 3.012 10 0 DGAERO O=C1[C@H]([NH2+]Cc2nccc3ccccc32)CCN1c1ccccc1 ZINC000731675229 574555190 /nfs/dbraw/zinc/55/51/90/574555190.db2.gz IOYOMYVCCGYUDQ-GOSISDBHSA-N 1 0 317.392 3.130 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cccc(F)c1F ZINC000675053967 563861130 /nfs/dbraw/zinc/86/11/30/563861130.db2.gz KWOXSFGVGSYAAI-MFKMUULPSA-N 1 0 312.360 3.364 10 0 DGAERO C/C(=C\C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1cccc(F)c1 ZINC000732064246 574565913 /nfs/dbraw/zinc/56/59/13/574565913.db2.gz DFICWQSENTWQDT-HNRFISLBSA-N 1 0 304.409 3.076 10 0 DGAERO C/C(=C/C(=O)N1CCC(C[NH+](C)C)CC1)c1cccc(F)c1 ZINC000732308076 574571474 /nfs/dbraw/zinc/57/14/74/574571474.db2.gz TYJMMRIEVRKZQZ-KAMYIIQDSA-N 1 0 304.409 3.029 10 0 DGAERO CC[C@H]1CCC[N@H+](Cn2ncc3cc(C(=O)OC)ccc32)CC1 ZINC000738254769 574863261 /nfs/dbraw/zinc/86/32/61/574863261.db2.gz MLXKGOHCWQUVSN-AWEZNQCLSA-N 1 0 315.417 3.293 10 0 DGAERO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[NH+]1CCCCC1 ZINC000741670879 574966192 /nfs/dbraw/zinc/96/61/92/574966192.db2.gz DPEUCQSQCLLGHR-IVMMDQJWSA-N 1 0 322.399 3.059 10 0 DGAERO CCCOC(=O)[C@H](C)[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000741785583 574970845 /nfs/dbraw/zinc/97/08/45/574970845.db2.gz SJDFDOLNCRUKPK-GJZGRUSLSA-N 1 0 307.434 3.290 10 0 DGAERO C[C@H]1CCN(C(=S)NC2CC[NH+](C)CC2)[C@@H](c2ccco2)C1 ZINC000743067016 575034275 /nfs/dbraw/zinc/03/42/75/575034275.db2.gz QKKWATJMWRYSJZ-DZGCQCFKSA-N 1 0 321.490 3.021 10 0 DGAERO CCC1(C)CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)CC1 ZINC000725777324 575911867 /nfs/dbraw/zinc/91/18/67/575911867.db2.gz GCISZIOASIOVKM-UHFFFAOYSA-N 1 0 315.417 3.293 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Br)c1)C(C)(C)O ZINC000393977543 575936523 /nfs/dbraw/zinc/93/65/23/575936523.db2.gz YJWZUGZVXWROOL-DTWKUNHWSA-N 1 0 304.203 3.398 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000398516591 575963738 /nfs/dbraw/zinc/96/37/38/575963738.db2.gz SUJYTOSUDVAQRE-AWEZNQCLSA-N 1 0 307.768 3.438 10 0 DGAERO c1cn(-c2cc(C[NH2+]Cc3cnc4ccccc4c3)ccn2)cn1 ZINC000727467818 576126703 /nfs/dbraw/zinc/12/67/03/576126703.db2.gz FEXPGPVSHYQXFX-UHFFFAOYSA-N 1 0 315.380 3.105 10 0 DGAERO c1cn(-c2ncccc2C[NH2+]Cc2cnc3ccccc3c2)cn1 ZINC000727466540 576126723 /nfs/dbraw/zinc/12/67/23/576126723.db2.gz ZCJIXIUUOVPWSN-UHFFFAOYSA-N 1 0 315.380 3.105 10 0 DGAERO c1ccc2ncc(C[NH2+]C[C@@H]3COc4ccccc4O3)cc2c1 ZINC000727463176 576126932 /nfs/dbraw/zinc/12/69/32/576126932.db2.gz FBXOXDAYPRRDPK-MRXNPFEDSA-N 1 0 306.365 3.164 10 0 DGAERO C[C@](O)(C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)c1ccccc1 ZINC000154851993 620731649 /nfs/dbraw/zinc/73/16/49/620731649.db2.gz JDGCDCOKVBFXQG-PMACEKPBSA-N 1 0 310.441 3.471 10 0 DGAERO CSC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757134802 617645063 /nfs/dbraw/zinc/64/50/63/617645063.db2.gz PDMCTLAAWYJRNP-LLVKDONJSA-N 1 0 311.451 3.033 10 0 DGAERO c1cnn(CC2CC[NH+](Cn3ccc(-c4ccccc4)n3)CC2)c1 ZINC000152777505 620522014 /nfs/dbraw/zinc/52/20/14/620522014.db2.gz XQCIJBYXMIJTBL-UHFFFAOYSA-N 1 0 321.428 3.116 10 0 DGAERO CSCCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989725 621071275 /nfs/dbraw/zinc/07/12/75/621071275.db2.gz ZXMGCKMRSOKHBN-MRXNPFEDSA-N 1 0 307.459 3.195 10 0 DGAERO CCOCCCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989960 621071421 /nfs/dbraw/zinc/07/14/21/621071421.db2.gz HSGDVBHWDQNLRG-GOSISDBHSA-N 1 0 319.445 3.259 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cn3c4ccccc4oc3=S)C2)cn1 ZINC000116258754 621214508 /nfs/dbraw/zinc/21/45/08/621214508.db2.gz OLQUALKWDFMLKA-GFCCVEGCSA-N 1 0 314.414 3.144 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C)ccc1N1CCCC1 ZINC000116762476 621282659 /nfs/dbraw/zinc/28/26/59/621282659.db2.gz ACEPZNCWDTVFHC-INIZCTEOSA-N 1 0 317.477 3.055 10 0 DGAERO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000117094719 621351453 /nfs/dbraw/zinc/35/14/53/621351453.db2.gz SBTFYYXWOKJEJJ-CQSZACIVSA-N 1 0 317.335 3.396 10 0 DGAERO Cn1cc(Cl)cc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117101870 621351480 /nfs/dbraw/zinc/35/14/80/621351480.db2.gz XAXXNEHPAMPLEL-HNNXBMFYSA-N 1 0 318.804 3.110 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)COc1ccc2c(c1)CCC2 ZINC000124590399 623192805 /nfs/dbraw/zinc/19/28/05/623192805.db2.gz JHESJFLAPAIVFF-UHFFFAOYSA-N 1 0 324.424 3.302 10 0 DGAERO C[N@H+](CCCOC(=O)C[C@@H]1CCCCO1)Cc1ccccc1 ZINC000129514284 625665650 /nfs/dbraw/zinc/66/56/50/625665650.db2.gz BZMPVRDOJSQZLM-KRWDZBQOSA-N 1 0 305.418 3.011 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cc2ccccc2s1 ZINC000126634746 623970630 /nfs/dbraw/zinc/97/06/30/623970630.db2.gz YNAPZQBAEJLCBF-DGCLKSJQSA-N 1 0 309.456 3.129 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cc2ccccc2s1 ZINC000126634535 623970701 /nfs/dbraw/zinc/97/07/01/623970701.db2.gz YNAPZQBAEJLCBF-WCQYABFASA-N 1 0 309.456 3.129 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc2ccccc2c1 ZINC000126675972 624000051 /nfs/dbraw/zinc/00/00/51/624000051.db2.gz MPCPUFGDLAKPJF-GUYCJALGSA-N 1 0 303.427 3.068 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1 ZINC000024276496 625136351 /nfs/dbraw/zinc/13/63/51/625136351.db2.gz SFFVAHQWHMEAEO-DXRVJIQQSA-N 1 0 312.388 3.258 10 0 DGAERO CC[C@H](NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1nccs1 ZINC000130475854 625855969 /nfs/dbraw/zinc/85/59/69/625855969.db2.gz HRPSFWDCTNLCAN-UBHSHLNASA-N 1 0 303.431 3.047 10 0 DGAERO CC(C)Oc1ccc(C2(C(=O)OC(C)(C)C)CC([NH3+])C2)cc1 ZINC000757176870 626753488 /nfs/dbraw/zinc/75/34/88/626753488.db2.gz JGHIYOXLZYAQAD-UHFFFAOYSA-N 1 0 305.418 3.174 10 0 DGAERO CSCCCC[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000133582914 626816497 /nfs/dbraw/zinc/81/64/97/626816497.db2.gz QSIQYBQIVOGJCZ-LLVKDONJSA-N 1 0 315.870 3.185 10 0 DGAERO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000219405949 627146740 /nfs/dbraw/zinc/14/67/40/627146740.db2.gz LXGGPSYFANAKBZ-GJZGRUSLSA-N 1 0 310.438 3.058 10 0 DGAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000220933038 627212238 /nfs/dbraw/zinc/21/22/38/627212238.db2.gz OLAWFRFIBNIAJZ-UONOGXRCSA-N 1 0 323.437 3.281 10 0 DGAERO COc1ccccc1CC[N@H+](C)C[C@@H](O)c1cc(F)ccc1F ZINC000104708944 630510001 /nfs/dbraw/zinc/51/00/01/630510001.db2.gz HLEKHHLOTRCDSQ-QGZVFWFLSA-N 1 0 321.367 3.181 10 0 DGAERO C[C@H](CNC(=O)CSC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000110353650 632537427 /nfs/dbraw/zinc/53/74/27/632537427.db2.gz YWJDPCBOPHUAEI-CQSZACIVSA-N 1 0 308.491 3.155 10 0 DGAERO CCSCC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000185297328 660213816 /nfs/dbraw/zinc/21/38/16/660213816.db2.gz FMORIPXMTNKMJI-STQMWFEESA-N 1 0 302.484 3.023 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ncc(C)s2)C12CCOCC2 ZINC000186375644 660378727 /nfs/dbraw/zinc/37/87/27/660378727.db2.gz PJRKIVORQIZZLP-BFHYXJOUSA-N 1 0 310.463 3.076 10 0 DGAERO CC(C)C[C@@H]([NH3+])Cc1nc(-c2ccccc2Br)no1 ZINC000132170588 660482184 /nfs/dbraw/zinc/48/21/84/660482184.db2.gz BUWQBBWHTNQPMX-SNVBAGLBSA-N 1 0 324.222 3.415 10 0 DGAERO [NH3+]C[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(F)(F)F ZINC000700363545 660621715 /nfs/dbraw/zinc/62/17/15/660621715.db2.gz CIAYMDKYFLAUQP-MRVPVSSYSA-N 1 0 322.739 3.174 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cccc(O)c1 ZINC000700744585 660634483 /nfs/dbraw/zinc/63/44/83/660634483.db2.gz ZZPJFCLNLWXJHX-DVOMOZLQSA-N 1 0 320.433 3.441 10 0 DGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000700748803 660634762 /nfs/dbraw/zinc/63/47/62/660634762.db2.gz GCXNUEFFAXDTCD-SMDDNHRTSA-N 1 0 314.882 3.310 10 0 DGAERO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000700749352 660634920 /nfs/dbraw/zinc/63/49/20/660634920.db2.gz LRDDIANCDVJLBO-NQBHXWOUSA-N 1 0 312.866 3.077 10 0 DGAERO O=C(/C=C\c1ccc(Cl)s1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000701171266 660659423 /nfs/dbraw/zinc/65/94/23/660659423.db2.gz CTAYHHGSJSZTMT-TXNVCOODSA-N 1 0 310.850 3.206 10 0 DGAERO CCOC1CCC([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000701122029 660656545 /nfs/dbraw/zinc/65/65/45/660656545.db2.gz HDRYNUVVNNCFSF-DNDYEEKYSA-N 1 0 314.470 3.225 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000701732870 660681819 /nfs/dbraw/zinc/68/18/19/660681819.db2.gz HVZGVABFMBCJMV-HUBLWGQQSA-N 1 0 318.408 3.315 10 0 DGAERO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)cc(C)c1O ZINC000701925417 660695636 /nfs/dbraw/zinc/69/56/36/660695636.db2.gz UYMJHHBMEGVIAL-CQSZACIVSA-N 1 0 322.449 3.354 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000701992282 660696346 /nfs/dbraw/zinc/69/63/46/660696346.db2.gz HOKJVKOKZSITOH-BFHYXJOUSA-N 1 0 314.495 3.260 10 0 DGAERO Cc1cccc(-c2noc([C@@H](N)C[N@@H+](C)Cc3ccccc3)n2)c1 ZINC000702211379 660714188 /nfs/dbraw/zinc/71/41/88/660714188.db2.gz BFHUCMCUXZGIMQ-KRWDZBQOSA-N 1 0 322.412 3.177 10 0 DGAERO CCC(CC)c1noc([C@H](N)C[N@H+](C)Cc2ccccc2)n1 ZINC000702190887 660715282 /nfs/dbraw/zinc/71/52/82/660715282.db2.gz YBEPOBCCRJIXEI-OAHLLOKOSA-N 1 0 302.422 3.105 10 0 DGAERO CCc1nnc(C[NH2+][C@H](C)CCOCc2ccccc2)s1 ZINC000702675945 660734737 /nfs/dbraw/zinc/73/47/37/660734737.db2.gz GJZNCNDTPXGYCU-CYBMUJFWSA-N 1 0 305.447 3.186 10 0 DGAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000703594289 660784304 /nfs/dbraw/zinc/78/43/04/660784304.db2.gz NBXLFJLNXKNYBU-LKFCYVNXSA-N 1 0 314.216 3.067 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)C1CCCCC1 ZINC000704182072 660805178 /nfs/dbraw/zinc/80/51/78/660805178.db2.gz ULOFXTMXLPVJDW-ZBFHGGJFSA-N 1 0 301.496 3.292 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(F)F ZINC000704202444 660805497 /nfs/dbraw/zinc/80/54/97/660805497.db2.gz ZUDJKBSYSFDHRC-YFKTTZPYSA-N 1 0 304.381 3.018 10 0 DGAERO CC(C)C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705930598 660839900 /nfs/dbraw/zinc/83/99/00/660839900.db2.gz AZZVEBPRJYLWIS-OALUTQOASA-N 1 0 300.446 3.013 10 0 DGAERO Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000705529175 660837471 /nfs/dbraw/zinc/83/74/71/660837471.db2.gz AUHXPACRTILJEN-CZUORRHYSA-N 1 0 319.449 3.125 10 0 DGAERO Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000705530893 660837851 /nfs/dbraw/zinc/83/78/51/660837851.db2.gz QVSOFONHXZHIHW-HOCLYGCPSA-N 1 0 319.449 3.125 10 0 DGAERO CO[C@](C)(C[NH2+]CCc1ccccc1)COCc1ccccc1 ZINC000705763620 660838709 /nfs/dbraw/zinc/83/87/09/660838709.db2.gz BMBGJOFWCPAVNP-HXUWFJFHSA-N 1 0 313.441 3.441 10 0 DGAERO C[C@H]1C[C@@H](Nc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000705922942 660839013 /nfs/dbraw/zinc/83/90/13/660839013.db2.gz KXFQYMUYINIWNC-ONGXEEELSA-N 1 0 324.222 3.485 10 0 DGAERO C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)C1CCCC1 ZINC000705904332 660840872 /nfs/dbraw/zinc/84/08/72/660840872.db2.gz PCBJXLAUUFTTFN-CQSZACIVSA-N 1 0 314.470 3.038 10 0 DGAERO CCC[C@@H]1CCC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000708389276 660920776 /nfs/dbraw/zinc/92/07/76/660920776.db2.gz QETCEXADXFFJJF-LLVKDONJSA-N 1 0 300.244 3.195 10 0 DGAERO CC[C@H](C[NH2+][C@@H]1CCCSCC1)NC(=O)OC(C)(C)C ZINC000709562645 660929409 /nfs/dbraw/zinc/92/94/09/660929409.db2.gz QSAQWZONCGEPKD-CHWSQXEVSA-N 1 0 302.484 3.165 10 0 DGAERO COc1cc(C[NH2+]CCc2ccns2)cc(Cl)c1OC ZINC000709879381 660930935 /nfs/dbraw/zinc/93/09/35/660930935.db2.gz FTYREBRCIUAIID-UHFFFAOYSA-N 1 0 312.822 3.146 10 0 DGAERO CC(=O)Nc1cccc(C[N@@H+](Cc2ccccc2)[C@@H](C)CO)c1 ZINC000709913895 660931789 /nfs/dbraw/zinc/93/17/89/660931789.db2.gz DPGSLLIZNZSMAJ-HNNXBMFYSA-N 1 0 312.413 3.028 10 0 DGAERO COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000710456336 660932574 /nfs/dbraw/zinc/93/25/74/660932574.db2.gz DOVVYDCMSCLXRF-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N1CCc2sc(C[NH3+])nc2C1 ZINC000710240888 660932655 /nfs/dbraw/zinc/93/26/55/660932655.db2.gz RNLRPUCNXVGBKF-SNVBAGLBSA-N 1 0 307.850 3.375 10 0 DGAERO Cc1ccc(CN2CCc3sc(C[NH3+])nc3C2)cc1Cl ZINC000710236307 660932701 /nfs/dbraw/zinc/93/27/01/660932701.db2.gz ACAVCLMICKPPFX-UHFFFAOYSA-N 1 0 307.850 3.122 10 0 DGAERO CN(CCCCCC[NH3+])C(=O)c1csc(Br)c1 ZINC000710723830 660934177 /nfs/dbraw/zinc/93/41/77/660934177.db2.gz IGCMHFNMNNAQET-UHFFFAOYSA-N 1 0 319.268 3.102 10 0 DGAERO Cc1ccccc1C[C@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710923071 660938776 /nfs/dbraw/zinc/93/87/76/660938776.db2.gz GQLNLWCYMWEDTM-HNNXBMFYSA-N 1 0 318.461 3.383 10 0 DGAERO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000711354379 660948247 /nfs/dbraw/zinc/94/82/47/660948247.db2.gz AGECIOSGARRPMV-NSHDSACASA-N 1 0 300.374 3.185 10 0 DGAERO Cc1ccccc1CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711389061 660949327 /nfs/dbraw/zinc/94/93/27/660949327.db2.gz DPKAKEXJMJGHTC-WOVMCDHWSA-N 1 0 318.461 3.430 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2([NH2+]Cc2nccs2)C1 ZINC000711383360 660949376 /nfs/dbraw/zinc/94/93/76/660949376.db2.gz JXVIKYQXMCZZSH-LRDDRELGSA-N 1 0 323.462 3.022 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+]C[C@H](O)c1ccccc1Cl ZINC000187088318 660949800 /nfs/dbraw/zinc/94/98/00/660949800.db2.gz OUSZGRDIIQTSCM-NHYWBVRUSA-N 1 0 306.793 3.128 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC2CCSCC2)C1 ZINC000711443344 660952982 /nfs/dbraw/zinc/95/29/82/660952982.db2.gz VGJWQOXROCSQOF-UHFFFAOYSA-N 1 0 314.495 3.023 10 0 DGAERO CCSCCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711460104 660953904 /nfs/dbraw/zinc/95/39/04/660953904.db2.gz RTHHHCICRRYTRG-BETUJISGSA-N 1 0 302.484 3.023 10 0 DGAERO C[C@@H](CCc1ccco1)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711478221 660953981 /nfs/dbraw/zinc/95/39/81/660953981.db2.gz WBTZNIJPUKHCTH-NFOMZHRRSA-N 1 0 322.449 3.494 10 0 DGAERO CC[C@@H](CSC)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711460542 660954017 /nfs/dbraw/zinc/95/40/17/660954017.db2.gz WBUVAWVBTWBTPO-RWMBFGLXSA-N 1 0 302.484 3.021 10 0 DGAERO c1cn(C2CC2)c(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000711744608 660962587 /nfs/dbraw/zinc/96/25/87/660962587.db2.gz DOVPGPQJABDQTQ-SFHVURJKSA-N 1 0 324.472 3.220 10 0 DGAERO Brc1cccc(CNCc2nccn2C2CC2)c1 ZINC000711784828 660963484 /nfs/dbraw/zinc/96/34/84/660963484.db2.gz DYAOISQGMYPFHE-UHFFFAOYSA-N 1 0 306.207 3.270 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3nccs3)CCC[C@H]12 ZINC000711651670 660961297 /nfs/dbraw/zinc/96/12/97/660961297.db2.gz UQVZBVAAVCJHCT-LRDDRELGSA-N 1 0 323.462 3.165 10 0 DGAERO OCCCCCC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000175773391 655571100 /nfs/dbraw/zinc/57/11/00/655571100.db2.gz KXLLRMBETBLYMC-UHFFFAOYSA-N 1 0 312.251 3.360 10 0 DGAERO Cc1nn(C)c(C)c1CCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000091537582 655580641 /nfs/dbraw/zinc/58/06/41/655580641.db2.gz PILWCIKUOJATAM-UHFFFAOYSA-N 1 0 313.449 3.013 10 0 DGAERO FC(F)(F)[C@H]1CC[C@@H](C[NH2+]Cc2csc(C3CC3)n2)O1 ZINC000721429315 655587024 /nfs/dbraw/zinc/58/70/24/655587024.db2.gz YBDLJVQXFXOCJO-WDEREUQCSA-N 1 0 306.353 3.220 10 0 DGAERO FC(F)(F)[C@@H]1CC[C@@H](C[NH2+]Cc2csc(C3CC3)n2)O1 ZINC000721429313 655587396 /nfs/dbraw/zinc/58/73/96/655587396.db2.gz YBDLJVQXFXOCJO-QWRGUYRKSA-N 1 0 306.353 3.220 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccccc2Cl)C[N@@H+]1C1CC1 ZINC000255060329 655588372 /nfs/dbraw/zinc/58/83/72/655588372.db2.gz NIEGPZNGHHLTOG-GOCPQTJRSA-N 1 0 304.821 3.095 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000255123837 655604835 /nfs/dbraw/zinc/60/48/35/655604835.db2.gz KHMUNZVIKJICFU-MUGHPLOMSA-N 1 0 304.821 3.048 10 0 DGAERO CCC(F)(F)C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724050359 655739114 /nfs/dbraw/zinc/73/91/14/655739114.db2.gz WLRISWGVVPCQKO-RYUDHWBXSA-N 1 0 306.397 3.315 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000724070862 655740078 /nfs/dbraw/zinc/74/00/78/655740078.db2.gz FPPKZLCVPIRLSE-FRRDWIJNSA-N 1 0 318.408 3.315 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\Sc2ccccc2)[C@@H](C)C1 ZINC000255446452 655753347 /nfs/dbraw/zinc/75/33/47/655753347.db2.gz XEOFMGJUMXJDTO-JLNOUXKISA-N 1 0 318.486 3.481 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(Cl)c1 ZINC000724314856 655754239 /nfs/dbraw/zinc/75/42/39/655754239.db2.gz QMDYZOMYYUAQFP-SLYWTYHBSA-N 1 0 313.850 3.099 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1)c1cc(Cl)ccc1Cl ZINC000724598168 655791402 /nfs/dbraw/zinc/79/14/02/655791402.db2.gz FCJQWMGGKSNEMM-PCVQNBPASA-N 1 0 316.228 3.448 10 0 DGAERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cn(C)nc1Br ZINC000712468793 661188545 /nfs/dbraw/zinc/18/85/45/661188545.db2.gz CRXQENCZKKWHDY-QWRGUYRKSA-N 1 0 300.244 3.099 10 0 DGAERO CCC1CCC([NH2+]Cc2cn(C)nc2Br)CC1 ZINC000712469341 661188617 /nfs/dbraw/zinc/18/86/17/661188617.db2.gz HUQVWRDBGNHDLL-UHFFFAOYSA-N 1 0 300.244 3.241 10 0 DGAERO CCN1CC[C@H]1C[NH2+][C@H](C)c1sccc1Br ZINC000712573709 661189256 /nfs/dbraw/zinc/18/92/56/661189256.db2.gz VEJWSWXMCPPIMX-ZJUUUORDSA-N 1 0 303.269 3.255 10 0 DGAERO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000712574845 661189295 /nfs/dbraw/zinc/18/92/95/661189295.db2.gz XIPYYCGYTPETNQ-GXSJLCMTSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCc1sccc1Br ZINC000713033674 661189661 /nfs/dbraw/zinc/18/96/61/661189661.db2.gz BBVXQNIDPRFZME-QWRGUYRKSA-N 1 0 318.280 3.458 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)CC1CCC2(CC1)OCCO2 ZINC000190309924 655815754 /nfs/dbraw/zinc/81/57/54/655815754.db2.gz YGBASEZPRZJQEW-UHFFFAOYSA-N 1 0 324.490 3.329 10 0 DGAERO CC(C)[C@H]([NH3+])C(C)(C)c1nc(COCc2ccccc2)no1 ZINC000713029471 661189903 /nfs/dbraw/zinc/18/99/03/661189903.db2.gz RIWYGVJPDOIOET-HNNXBMFYSA-N 1 0 303.406 3.047 10 0 DGAERO CO[C@H](C[NH2+]CCc1sccc1Br)C1CC1 ZINC000713053372 661190332 /nfs/dbraw/zinc/19/03/32/661190332.db2.gz NTBRAVHEHGJRCH-LLVKDONJSA-N 1 0 304.253 3.068 10 0 DGAERO COCC1CC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000713943749 661194979 /nfs/dbraw/zinc/19/49/79/661194979.db2.gz BROQJXKACRFADT-YWCUFVOSSA-N 1 0 324.262 3.321 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](CCCCO)C2CC2)cc1 ZINC000176929809 655870098 /nfs/dbraw/zinc/87/00/98/655870098.db2.gz HPQSLZLNEJLTQG-UHFFFAOYSA-N 1 0 322.474 3.197 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000714250588 661198315 /nfs/dbraw/zinc/19/83/15/661198315.db2.gz PJFIKDORXVSGSQ-LSJOCFKGSA-N 1 0 322.257 3.220 10 0 DGAERO CCOC1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179314611 655888458 /nfs/dbraw/zinc/88/84/58/655888458.db2.gz KCSCDXFKWMJWTB-MRXNPFEDSA-N 1 0 322.836 3.334 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)s1 ZINC000714377393 661199423 /nfs/dbraw/zinc/19/94/23/661199423.db2.gz VZPZCUPHWCBWOQ-UWVGGRQHSA-N 1 0 307.868 3.019 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3ccccc3)n2C)C[N@@H+]1C1CC1 ZINC000177051031 655890331 /nfs/dbraw/zinc/89/03/31/655890331.db2.gz HACKLDMVCDBRIC-GDBMZVCRSA-N 1 0 323.440 3.047 10 0 DGAERO CCc1nn(C)c(Cl)c1CN1CCC[C@H](C(F)(F)F)C1 ZINC000179619399 655910159 /nfs/dbraw/zinc/91/01/59/655910159.db2.gz SXVGWIJVBUIKTG-VIFPVBQESA-N 1 0 309.763 3.410 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2Cl)C[N@@H+]1C1CC1 ZINC000177135690 655914147 /nfs/dbraw/zinc/91/41/47/655914147.db2.gz NIEGPZNGHHLTOG-VQSVOGCMSA-N 1 0 304.821 3.095 10 0 DGAERO CCC1([NH3+])CCN(c2ncc(Cl)cc2Br)CC1 ZINC000714751392 661202978 /nfs/dbraw/zinc/20/29/78/661202978.db2.gz ATMGUDHIIUWAQA-UHFFFAOYSA-N 1 0 318.646 3.205 10 0 DGAERO CCC1([NH3+])CCN(Cc2sccc2Br)CC1 ZINC000714758465 661203225 /nfs/dbraw/zinc/20/32/25/661203225.db2.gz HVUKEFYQGNEFDX-UHFFFAOYSA-N 1 0 303.269 3.214 10 0 DGAERO CCC1([NH3+])CCN(Cc2c(F)cccc2Br)CC1 ZINC000714759262 661203465 /nfs/dbraw/zinc/20/34/65/661203465.db2.gz SRCYYWVIELBAEG-UHFFFAOYSA-N 1 0 315.230 3.292 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C(/C)c1cccc(F)c1 ZINC000255870718 655930515 /nfs/dbraw/zinc/93/05/15/655930515.db2.gz RZAAAEOSIGOLMR-IFCKCIONSA-N 1 0 304.409 3.172 10 0 DGAERO [NH3+]CCCCCCNc1ncc(Cl)cc1Br ZINC000236168336 655948272 /nfs/dbraw/zinc/94/82/72/655948272.db2.gz YPWMMVQIJOTYKH-UHFFFAOYSA-N 1 0 306.635 3.429 10 0 DGAERO COCC[C@H]([NH3+])C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000052792541 655948873 /nfs/dbraw/zinc/94/88/73/655948873.db2.gz QREOJNDEUIMKFZ-HNNXBMFYSA-N 1 0 308.447 3.024 10 0 DGAERO C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1cc(Cl)ccc1Cl ZINC000715219956 661209231 /nfs/dbraw/zinc/20/92/31/661209231.db2.gz NGPDNCGGAVCOCY-MFAVDMRSSA-N 1 0 322.257 3.220 10 0 DGAERO C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1cc2ccccc2s1 ZINC000715239031 661209251 /nfs/dbraw/zinc/20/92/51/661209251.db2.gz OAYSHKLRHAKYKH-PKSQDBQZSA-N 1 0 309.456 3.128 10 0 DGAERO C[C@@H](C[NH2+]C[C@]1(C)CCCS1)N(C)C(=O)OC(C)(C)C ZINC000327719693 655980990 /nfs/dbraw/zinc/98/09/90/655980990.db2.gz DPRMZBNDYBXFLZ-WFASDCNBSA-N 1 0 302.484 3.117 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3CC34CC4)C[C@@H]2C1 ZINC000715297549 661210570 /nfs/dbraw/zinc/21/05/70/661210570.db2.gz YXHHNUQASQLETE-XGUBFFRZSA-N 1 0 306.450 3.164 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000036954895 661210642 /nfs/dbraw/zinc/21/06/42/661210642.db2.gz JTVYRNVCFMLRRM-NEPJUHHUSA-N 1 0 324.471 3.116 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccc(Cl)s1 ZINC000037020843 661213684 /nfs/dbraw/zinc/21/36/84/661213684.db2.gz FVXBUKUNHIPXSO-BJDJZHNGSA-N 1 0 312.866 3.499 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccns1 ZINC000716045798 661216930 /nfs/dbraw/zinc/21/69/30/661216930.db2.gz CDNRHVIDPJTLPL-QWRGUYRKSA-N 1 0 311.451 3.049 10 0 DGAERO COC(=O)c1csc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000716065077 661217130 /nfs/dbraw/zinc/21/71/30/661217130.db2.gz KWDUFNSOEXNMEI-VGPLMAKISA-N 1 0 311.472 3.299 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccns1 ZINC000715980562 661218028 /nfs/dbraw/zinc/21/80/28/661218028.db2.gz ZXXQTKCZYRXDFT-HOCLYGCPSA-N 1 0 301.459 3.458 10 0 DGAERO COC(OC)[C@H](C)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000309824888 656063415 /nfs/dbraw/zinc/06/34/15/656063415.db2.gz QMPMEFUKHPMWEK-HNNXBMFYSA-N 1 0 315.413 3.363 10 0 DGAERO C[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)N1CCCCC1 ZINC000716244932 661220834 /nfs/dbraw/zinc/22/08/34/661220834.db2.gz BZRCKZOKIGMGIW-IPJUCJBFSA-N 1 0 302.462 3.198 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cc(C)cc(C)c1 ZINC000178336603 656091848 /nfs/dbraw/zinc/09/18/48/656091848.db2.gz ZJOYWBTWDJLQLG-RTBURBONSA-N 1 0 313.445 3.006 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ncc(C)s2)C12CCOCC2 ZINC000186375610 656131220 /nfs/dbraw/zinc/13/12/20/656131220.db2.gz PJRKIVORQIZZLP-MELADBBJSA-N 1 0 310.463 3.076 10 0 DGAERO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+](C)CC1(CO)CC1 ZINC000186781796 656133421 /nfs/dbraw/zinc/13/34/21/656133421.db2.gz OGAFUBILKLDCSI-CQSZACIVSA-N 1 0 318.461 3.015 10 0 DGAERO CC(C)n1cc2cc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1 ZINC000329439302 656144557 /nfs/dbraw/zinc/14/45/57/656144557.db2.gz AWDFTDBTFZTTHB-KBPBESRZSA-N 1 0 314.433 3.286 10 0 DGAERO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000310606074 656153020 /nfs/dbraw/zinc/15/30/20/656153020.db2.gz QVYAHDMUDPEZAZ-ZJRUKIMVSA-N 1 0 312.207 3.219 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(Br)cc1F ZINC000716886316 661230149 /nfs/dbraw/zinc/23/01/49/661230149.db2.gz PPOLGQICFOEVPB-JOYOIKCWSA-N 1 0 304.203 3.227 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+]CC[C@H]2CCC3(CCC3)O2)C1 ZINC000716857654 661230177 /nfs/dbraw/zinc/23/01/77/661230177.db2.gz MOEWVSJRRKEAGP-YMAMQOFZSA-N 1 0 324.465 3.124 10 0 DGAERO CCCCOC(=O)CC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189898552 656157985 /nfs/dbraw/zinc/15/79/85/656157985.db2.gz KYHGOJFICGSKPW-HNNXBMFYSA-N 1 0 315.417 3.256 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(Cl)nc2C)CC1 ZINC000194642119 656203302 /nfs/dbraw/zinc/20/33/02/656203302.db2.gz GPWOQGJKYQCKEZ-UHFFFAOYSA-N 1 0 324.856 3.287 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000178443543 656321975 /nfs/dbraw/zinc/32/19/75/656321975.db2.gz YNYFNUFTMWLIAK-DLBZAZTESA-N 1 0 301.361 3.145 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000178443526 656322404 /nfs/dbraw/zinc/32/24/04/656322404.db2.gz YNYFNUFTMWLIAK-IAGOWNOFSA-N 1 0 301.361 3.145 10 0 DGAERO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2F)CC[C@@H]1C(F)(F)F ZINC000717151662 661255795 /nfs/dbraw/zinc/25/57/95/661255795.db2.gz HXZPPJPKGFGAKT-CMPLNLGQSA-N 1 0 310.722 3.191 10 0 DGAERO CC(C)OC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000717454150 661264805 /nfs/dbraw/zinc/26/48/05/661264805.db2.gz QIOGZTKCUFCYFA-UHFFFAOYSA-N 1 0 304.434 3.375 10 0 DGAERO OC[C@H]([NH2+]C1CC(c2ccc(Br)cc2)C1)C1CCC1 ZINC000717615694 661266247 /nfs/dbraw/zinc/26/62/47/661266247.db2.gz JSTBHVVROQCOPD-BCLQGDPASA-N 1 0 324.262 3.446 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(Cl)n1)c1ccc(-n2cncn2)cc1 ZINC000181883399 656481133 /nfs/dbraw/zinc/48/11/33/656481133.db2.gz KZUBCZQCFHAPFE-LBPRGKRZSA-N 1 0 313.792 3.167 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@@H]1CCCOC1 ZINC000723951913 656504697 /nfs/dbraw/zinc/50/46/97/656504697.db2.gz PTNFZUBGXOUSTE-RSPOEFSDSA-N 1 0 316.489 3.444 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CCCOC1 ZINC000723951908 656504816 /nfs/dbraw/zinc/50/48/16/656504816.db2.gz PTNFZUBGXOUSTE-FRYIKTPZSA-N 1 0 316.489 3.444 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@@H]1CCCOC1 ZINC000723951911 656504918 /nfs/dbraw/zinc/50/49/18/656504918.db2.gz PTNFZUBGXOUSTE-OJAHFUOMSA-N 1 0 316.489 3.444 10 0 DGAERO CSCCCCC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724109465 656509825 /nfs/dbraw/zinc/50/98/25/656509825.db2.gz MDZRDQPRWURPLW-SECBINFHSA-N 1 0 309.344 3.058 10 0 DGAERO C[C@H](NCc1cc(Br)ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000722376655 656614393 /nfs/dbraw/zinc/61/43/93/656614393.db2.gz JAQRMWDZMDUDCN-VHSXEESVSA-N 1 0 317.658 3.190 10 0 DGAERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1Cl ZINC000187349790 661284118 /nfs/dbraw/zinc/28/41/18/661284118.db2.gz ZWIOXIVMSKKXIQ-CZUORRHYSA-N 1 0 324.808 3.375 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(Cl)cn1 ZINC000722398587 656659606 /nfs/dbraw/zinc/65/96/06/656659606.db2.gz NSZZCMKWGUFIKH-XRNSZHNASA-N 1 0 308.731 3.496 10 0 DGAERO CC[C@H]([NH3+])c1cn(-c2ccc(Cl)c(Br)c2)nn1 ZINC000229930565 656869833 /nfs/dbraw/zinc/86/98/33/656869833.db2.gz QMAMBRRVNSUEKN-JTQLQIEISA-N 1 0 315.602 3.093 10 0 DGAERO CCC[N@H+](C[C@@H]1CCCCO1)Cn1nccc1-c1ccncc1 ZINC000067095117 656983569 /nfs/dbraw/zinc/98/35/69/656983569.db2.gz RQMZIRCSGXJZBL-KRWDZBQOSA-N 1 0 314.433 3.184 10 0 DGAERO C[C@@H](CN1CC[NH2+]C[C@@H]1c1cccnc1)c1cccc(Cl)c1 ZINC000261797824 657104670 /nfs/dbraw/zinc/10/46/70/657104670.db2.gz GTKKZJBFYOXCLB-KBXCAEBGSA-N 1 0 315.848 3.485 10 0 DGAERO C[C@@H]([NH3+])CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000261842617 657130773 /nfs/dbraw/zinc/13/07/73/657130773.db2.gz LDRRUSXKRJRNJL-LLVKDONJSA-N 1 0 314.351 3.149 10 0 DGAERO C[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)N(C)C(=O)OC(C)(C)C ZINC000304238970 657306702 /nfs/dbraw/zinc/30/67/02/657306702.db2.gz CRHAPSPSGXEFIY-YOEHRIQHSA-N 1 0 318.461 3.389 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249269294 657394614 /nfs/dbraw/zinc/39/46/14/657394614.db2.gz JRYIAXJAPYGRDR-YRGRVCCFSA-N 1 0 317.351 3.439 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000721816540 657400677 /nfs/dbraw/zinc/40/06/77/657400677.db2.gz LDMPHEMNCSRXIU-VIFPVBQESA-N 1 0 304.253 3.103 10 0 DGAERO Cc1nc(Cc2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)cs1 ZINC000250903291 657496654 /nfs/dbraw/zinc/49/66/54/657496654.db2.gz PXXIMZNDLJAOHH-RTXFEEFZSA-N 1 0 304.419 3.019 10 0 DGAERO Cc1conc1CN[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000720382322 657511940 /nfs/dbraw/zinc/51/19/40/657511940.db2.gz GNFSBKLTZNWNFX-GOSISDBHSA-N 1 0 301.434 3.229 10 0 DGAERO CCCN(C/C=C\c1ccccc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000096841576 657559229 /nfs/dbraw/zinc/55/92/29/657559229.db2.gz VTKQQVJYLASCAG-KKMIYCERSA-N 1 0 312.457 3.328 10 0 DGAERO CC(C)/C=C\C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000096865174 657561128 /nfs/dbraw/zinc/56/11/28/657561128.db2.gz JFDODUREGBFZDD-LENZSSGSSA-N 1 0 300.446 3.022 10 0 DGAERO C[S@@](=O)C1(C[NH2+]CCc2cc(Cl)cc(Cl)c2)CCC1 ZINC000722100518 657631403 /nfs/dbraw/zinc/63/14/03/657631403.db2.gz RBQRRDOKUPWCED-LJQANCHMSA-N 1 0 320.285 3.427 10 0 DGAERO C[NH2+]CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C ZINC000720795399 658120526 /nfs/dbraw/zinc/12/05/26/658120526.db2.gz ABWOYFSZPKBEQV-UHFFFAOYSA-N 1 0 304.221 3.455 10 0 DGAERO Cc1ccc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000720878193 658154506 /nfs/dbraw/zinc/15/45/06/658154506.db2.gz QIGFSFMVHBVYSZ-VXGBXAGGSA-N 1 0 306.759 3.217 10 0 DGAERO COC[C@@H](CC[NH2+]CCc1cc(Cl)cc(Cl)c1)OC ZINC000722133580 658218100 /nfs/dbraw/zinc/21/81/00/658218100.db2.gz SMYXEYFHOBJTJB-CQSZACIVSA-N 1 0 306.233 3.177 10 0 DGAERO C[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC1 ZINC000722133764 658220072 /nfs/dbraw/zinc/22/00/72/658220072.db2.gz VCFIWHRETYWAQD-NSHDSACASA-N 1 0 315.244 3.136 10 0 DGAERO COC(=O)c1cnc([C@H](C)[NH2+]CC2(C)CC(F)(F)C2)s1 ZINC000720928962 658237144 /nfs/dbraw/zinc/23/71/44/658237144.db2.gz RAKDQLDWQNDYDT-QMMMGPOBSA-N 1 0 304.362 3.016 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccncc1 ZINC000721865674 658240981 /nfs/dbraw/zinc/24/09/81/658240981.db2.gz DBAQWXSMZVRJSJ-DZGCQCFKSA-N 1 0 319.449 3.378 10 0 DGAERO Cc1nn(C)c(C[NH2+]CC2(C)CC(F)(F)C2)c1Br ZINC000720949014 658243825 /nfs/dbraw/zinc/24/38/25/658243825.db2.gz GHOKSKSYULXTQK-UHFFFAOYSA-N 1 0 322.197 3.016 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1ccoc1 ZINC000721030385 658402627 /nfs/dbraw/zinc/40/26/27/658402627.db2.gz COQRJFMTADFAPV-UKRRQHHQSA-N 1 0 308.422 3.262 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]C[C@H]1CCC=CO1 ZINC000721044772 658413212 /nfs/dbraw/zinc/41/32/12/658413212.db2.gz LOVRJGWLYJEEAT-BZUAXINKSA-N 1 0 324.465 3.162 10 0 DGAERO C[NH+]1CCN(Cc2ccccc2Oc2nccc3occc32)CC1 ZINC000067772809 658438145 /nfs/dbraw/zinc/43/81/45/658438145.db2.gz XJQHKFHEZKZNMF-UHFFFAOYSA-N 1 0 323.396 3.368 10 0 DGAERO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1 ZINC000721232953 658706402 /nfs/dbraw/zinc/70/64/02/658706402.db2.gz FGJXRCUORBJVBW-PKOBYXMFSA-N 1 0 313.445 3.369 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cn1cc(-c3ccccc3)cn1)CC2 ZINC000164939279 658956728 /nfs/dbraw/zinc/95/67/28/658956728.db2.gz DNBJNYZUUUKHGQ-RTBURBONSA-N 1 0 311.429 3.135 10 0 DGAERO Cc1ccc(-c2noc([C@H]3CC[C@H]([NH3+])C3)n2)c(Br)c1 ZINC000225491408 659069470 /nfs/dbraw/zinc/06/94/70/659069470.db2.gz BGTOWUKIMPJHPU-UWVGGRQHSA-N 1 0 322.206 3.402 10 0 DGAERO C[C@H](CC(=O)N1CCCC[C@@H]1c1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000167103098 659076821 /nfs/dbraw/zinc/07/68/21/659076821.db2.gz GJCJMMNAPHJBFW-RBSFLKMASA-N 1 0 321.490 3.223 10 0 DGAERO Fc1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c(F)cc1Cl ZINC000167744073 659108156 /nfs/dbraw/zinc/10/81/56/659108156.db2.gz UWTQGGUPOAXLRR-QMMMGPOBSA-N 1 0 313.735 3.210 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cncc2ccccc21 ZINC000227596915 659158597 /nfs/dbraw/zinc/15/85/97/659158597.db2.gz PFOYBLVEQJEZDP-UHFFFAOYSA-N 1 0 315.417 3.239 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(F)F ZINC000227675281 659160311 /nfs/dbraw/zinc/16/03/11/659160311.db2.gz WNKWJRHHHGOPRV-SDDRHHMPSA-N 1 0 306.397 3.265 10 0 DGAERO CCc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])s1 ZINC000227721621 659162657 /nfs/dbraw/zinc/16/26/57/659162657.db2.gz VEAJCINIHZVNOC-OAHLLOKOSA-N 1 0 300.427 3.009 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C/C=C/CNC(=O)OC(C)(C)C)C12CCC2 ZINC000227760965 659163702 /nfs/dbraw/zinc/16/37/02/659163702.db2.gz SRWKUJOOKLEDDK-WLBISTCBSA-N 1 0 324.465 3.005 10 0 DGAERO Cc1cccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1C ZINC000227759537 659163756 /nfs/dbraw/zinc/16/37/56/659163756.db2.gz FQDVQYNPTORNSJ-VOTSOKGWSA-N 1 0 304.434 3.474 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc2cnccc21 ZINC000228557319 659196965 /nfs/dbraw/zinc/19/69/65/659196965.db2.gz XZSOIDRAGLNGOO-UHFFFAOYSA-N 1 0 315.417 3.239 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)Cn1nccc1-c1cccnc1 ZINC000170637937 659223402 /nfs/dbraw/zinc/22/34/02/659223402.db2.gz AEFQMOPVIWSUOA-UHFFFAOYSA-N 1 0 310.376 3.216 10 0 DGAERO COc1ccc(/C=C\CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000229451119 659259275 /nfs/dbraw/zinc/25/92/75/659259275.db2.gz DQUIASMJFKPDSY-UABKOXTMSA-N 1 0 300.446 3.126 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]Cc2ccccn2)C1 ZINC000230161408 659315054 /nfs/dbraw/zinc/31/50/54/659315054.db2.gz ZLDBNTCBXAOVSW-GOSISDBHSA-N 1 0 319.449 3.208 10 0 DGAERO CCOC[C@H](C)[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000230973491 659361943 /nfs/dbraw/zinc/36/19/43/659361943.db2.gz DBSQRHMQZUZZRF-ZDUSSCGKSA-N 1 0 302.459 3.037 10 0 DGAERO c1c2c(sc1-c1nc(C[C@H]3CCC[NH2+]C3)no1)CCCC2 ZINC000063084681 659363472 /nfs/dbraw/zinc/36/34/72/659363472.db2.gz JUWDQJMIHKLIGC-LLVKDONJSA-N 1 0 303.431 3.219 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1Cc1nc(-c2cccs2)oc1C ZINC000063168600 659370158 /nfs/dbraw/zinc/37/01/58/659370158.db2.gz NVZHMRQKRXLXRI-CYBMUJFWSA-N 1 0 305.447 3.285 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccn(C)c1 ZINC000231324168 659376847 /nfs/dbraw/zinc/37/68/47/659376847.db2.gz WQRDKIXPRHFDNB-UHFFFAOYSA-N 1 0 309.454 3.198 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCC2CCCCCCC2)CC[N@@H+]1C ZINC000174183532 659418804 /nfs/dbraw/zinc/41/88/04/659418804.db2.gz XJALDDUDMFBFGE-RDJZCZTQSA-N 1 0 309.498 3.471 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCC2CCCCCCC2)CC[N@@H+]1C ZINC000174183489 659418833 /nfs/dbraw/zinc/41/88/33/659418833.db2.gz XJALDDUDMFBFGE-NVXWUHKLSA-N 1 0 309.498 3.471 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@]1(C)CCCS1 ZINC000232500680 659433675 /nfs/dbraw/zinc/43/36/75/659433675.db2.gz HPPQNHZLDPMPNN-CZUORRHYSA-N 1 0 314.495 3.261 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccoc1)C1CCCC1 ZINC000232497951 659435759 /nfs/dbraw/zinc/43/57/59/659435759.db2.gz QECKGIDMGGKSGN-OAHLLOKOSA-N 1 0 308.422 3.453 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@@H](O)c3cc(C)cc(C)c3)C2)c1 ZINC000174785962 659656921 /nfs/dbraw/zinc/65/69/21/659656921.db2.gz XHUZYMHZRMZKKP-RBUKOAKNSA-N 1 0 313.445 3.179 10 0 DGAERO C[N@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)[C@@H]1CCSC1 ZINC000179649789 659936598 /nfs/dbraw/zinc/93/65/98/659936598.db2.gz PDMLWEJJZIZCKZ-ZIAGYGMSSA-N 1 0 310.850 3.270 10 0 DGAERO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1O ZINC000180374331 659960403 /nfs/dbraw/zinc/96/04/03/659960403.db2.gz RFEGZYMZHKSSNQ-PBHICJAKSA-N 1 0 309.837 3.481 10 0 DGAERO CC(C)[C@@H](CSc1ccccc1)[NH2+]CCCN1CCOC1=O ZINC000180421307 659962203 /nfs/dbraw/zinc/96/22/03/659962203.db2.gz HXXTWULITKQJKO-MRXNPFEDSA-N 1 0 322.474 3.235 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000181475028 660002426 /nfs/dbraw/zinc/00/24/26/660002426.db2.gz GDKIVYWTFVGCGA-AEFFLSMTSA-N 1 0 318.461 3.231 10 0 DGAERO COc1ccccc1C[C@@H]1CCCN1Cn1cc(Cl)cn1 ZINC000069690058 660015475 /nfs/dbraw/zinc/01/54/75/660015475.db2.gz NXPMWZICALQPGC-HNNXBMFYSA-N 1 0 305.809 3.210 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cc1 ZINC000182677938 660071111 /nfs/dbraw/zinc/07/11/11/660071111.db2.gz KDIBJONGGSRKQR-JKIFEVAISA-N 1 0 303.402 3.494 10 0 DGAERO CC1([C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)OCCO1 ZINC000183239657 660105766 /nfs/dbraw/zinc/10/57/66/660105766.db2.gz KQGKKIHYKZQWIW-KRWDZBQOSA-N 1 0 312.413 3.210 10 0 DGAERO CC[C@@H]1C[C@@H](C(=O)OCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000183488788 660117830 /nfs/dbraw/zinc/11/78/30/660117830.db2.gz NSMBXJGZDKFKES-ZWKOTPCHSA-N 1 0 319.445 3.257 10 0 DGAERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000183634633 660128093 /nfs/dbraw/zinc/12/80/93/660128093.db2.gz PWEAVAJATHAATD-WFASDCNBSA-N 1 0 304.346 3.098 10 0 DGAERO Cc1nc(C)c(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000184058949 660154103 /nfs/dbraw/zinc/15/41/03/660154103.db2.gz NJRKTBLVGLJURU-INIZCTEOSA-N 1 0 314.385 3.113 10 0 DGAERO COC[C@H](C)CNc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000187531855 661801549 /nfs/dbraw/zinc/80/15/49/661801549.db2.gz QYVQOQJCFDUBDX-MRXNPFEDSA-N 1 0 306.450 3.246 10 0 DGAERO CC[N@H+](CCc1nccs1)C[C@@H](O)c1cc(F)ccc1F ZINC000159170622 661883387 /nfs/dbraw/zinc/88/33/87/661883387.db2.gz DYXNAGRTVZHAPG-CQSZACIVSA-N 1 0 312.385 3.019 10 0 DGAERO C[C@](O)(C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000159381478 661886916 /nfs/dbraw/zinc/88/69/16/661886916.db2.gz MXUFEHXBIBXFAK-LEWJYISDSA-N 1 0 323.436 3.068 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)c1ccc(F)cc1 ZINC000159761967 661894914 /nfs/dbraw/zinc/89/49/14/661894914.db2.gz IYGWUNIJBFKOLO-OAHLLOKOSA-N 1 0 308.422 3.269 10 0 DGAERO O[C@@H](C[N@H+](C[C@@H]1CCCO1)C1CCCC1)c1ccccc1F ZINC000075831380 661950675 /nfs/dbraw/zinc/95/06/75/661950675.db2.gz USQGTVFDOOTAKB-YJBOKZPZSA-N 1 0 307.409 3.283 10 0 DGAERO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000189111366 661963518 /nfs/dbraw/zinc/96/35/18/661963518.db2.gz KJAKOBRSOZKGSZ-KRWDZBQOSA-N 1 0 318.804 3.273 10 0 DGAERO COc1ccc2c(c1)C(=O)N(C[N@H+](C)[C@@H]1CCC[C@H](C)C1)C2 ZINC000189707096 661988554 /nfs/dbraw/zinc/98/85/54/661988554.db2.gz HRARUKJXJQEOGW-DZGCQCFKSA-N 1 0 302.418 3.119 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189883509 661995203 /nfs/dbraw/zinc/99/52/03/661995203.db2.gz DMSWBMVJTVDWQY-KXBFYZLASA-N 1 0 307.397 3.257 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+]Cc3cccc4c3OCCO4)C2)cc1 ZINC000077327553 662021338 /nfs/dbraw/zinc/02/13/38/662021338.db2.gz YRSIZYANLLVIPW-MRXNPFEDSA-N 1 0 324.424 3.074 10 0 DGAERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccccc1OC(F)(F)F ZINC000190653727 662039706 /nfs/dbraw/zinc/03/97/06/662039706.db2.gz AQUARIPTZBEJGB-NSHDSACASA-N 1 0 319.323 3.389 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000191081895 662053550 /nfs/dbraw/zinc/05/35/50/662053550.db2.gz XWXYRMLSWVKLRT-FJIDUMEYSA-N 1 0 319.445 3.396 10 0 DGAERO Cc1cccc(CC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000078767612 662084163 /nfs/dbraw/zinc/08/41/63/662084163.db2.gz IGWPOGDIVYZKEE-LJQANCHMSA-N 1 0 309.409 3.355 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c2cccnc12 ZINC000192779154 662110851 /nfs/dbraw/zinc/11/08/51/662110851.db2.gz XSJXNXQHBKCPDR-KMFMINBZSA-N 1 0 309.413 3.402 10 0 DGAERO C[C@]1(c2nc(-c3cccc(Br)c3)no2)CCC[NH2+]1 ZINC000079484918 662111382 /nfs/dbraw/zinc/11/13/82/662111382.db2.gz DNNDFSQMWLUEPI-CYBMUJFWSA-N 1 0 308.179 3.098 10 0 DGAERO C[C@]1(C[NH2+]C[C@@H]2CCC=CO2)CCCN1Cc1ccccc1 ZINC000194759099 662173103 /nfs/dbraw/zinc/17/31/03/662173103.db2.gz UWLCRAYGNVJIKX-RBUKOAKNSA-N 1 0 300.446 3.323 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2ccc(C(F)(F)F)s2)n1 ZINC000717911956 662197478 /nfs/dbraw/zinc/19/74/78/662197478.db2.gz NHYKUWUXNHJWNO-SSDOTTSWSA-N 1 0 305.325 3.352 10 0 DGAERO Cc1noc(C)c1CCCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000084734494 662203327 /nfs/dbraw/zinc/20/33/27/662203327.db2.gz FHAJMRSZXCCGDS-CYBMUJFWSA-N 1 0 308.470 3.343 10 0 DGAERO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717940434 662210707 /nfs/dbraw/zinc/21/07/07/662210707.db2.gz WRYMLKQNHRVFKK-MRVPVSSYSA-N 1 0 308.369 3.190 10 0 DGAERO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717942702 662211584 /nfs/dbraw/zinc/21/15/84/662211584.db2.gz INHOLVVWZRVDSP-VHSXEESVSA-N 1 0 311.369 3.469 10 0 DGAERO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)s2)CC1=O ZINC000717959462 662213440 /nfs/dbraw/zinc/21/34/40/662213440.db2.gz VKLPDKMJLLTFCF-DTWKUNHWSA-N 1 0 306.353 3.038 10 0 DGAERO [NH3+]C1CC(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000718040125 662215187 /nfs/dbraw/zinc/21/51/87/662215187.db2.gz DAMUUXNOCRWFKB-UHFFFAOYSA-N 1 0 308.425 3.343 10 0 DGAERO Cc1coc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000718053798 662216155 /nfs/dbraw/zinc/21/61/55/662216155.db2.gz QRBGFZLNSFSCOD-HIFRSBDPSA-N 1 0 308.422 3.323 10 0 DGAERO Cc1coc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000718053803 662216373 /nfs/dbraw/zinc/21/63/73/662216373.db2.gz QRBGFZLNSFSCOD-ZFWWWQNUSA-N 1 0 308.422 3.323 10 0 DGAERO [NH3+]C1CC(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000718092886 662221966 /nfs/dbraw/zinc/22/19/66/662221966.db2.gz XKIVCUCNZNOALN-UHFFFAOYSA-N 1 0 304.724 3.007 10 0 DGAERO C[C@H]1CN(C[C@@H](O)c2ccc(Cl)cc2Cl)CCS1 ZINC000245620034 662237254 /nfs/dbraw/zinc/23/72/54/662237254.db2.gz DVLLZAFQOZXCGQ-TVQRCGJNSA-N 1 0 306.258 3.464 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(CSC(F)F)o1 ZINC000245696590 662238453 /nfs/dbraw/zinc/23/84/53/662238453.db2.gz CKWLZSBDYTYBNI-NEPJUHHUSA-N 1 0 316.417 3.404 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000089451582 662243749 /nfs/dbraw/zinc/24/37/49/662243749.db2.gz MASFFRQGXVCGOQ-SKDRFNHKSA-N 1 0 300.374 3.315 10 0 DGAERO CCC[N@H+](C[C@@H](O)c1ccc(F)cc1F)C[C@H]1CCCCO1 ZINC000246381629 662257164 /nfs/dbraw/zinc/25/71/64/662257164.db2.gz TYOYKPOMYJVLML-RHSMWYFYSA-N 1 0 313.388 3.279 10 0 DGAERO NC(=O)CC1CC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000718500868 662257193 /nfs/dbraw/zinc/25/71/93/662257193.db2.gz IHBKNDFCCRQLRP-QEIKUCIBSA-N 1 0 310.850 3.121 10 0 DGAERO COCC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000718709899 662260417 /nfs/dbraw/zinc/26/04/17/662260417.db2.gz RVZOUHLWTZFEKQ-SJLPKXTDSA-N 1 0 304.478 3.302 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000718766551 662261238 /nfs/dbraw/zinc/26/12/38/662261238.db2.gz XPYNNJNWHIVVNU-ZQDZILKHSA-N 1 0 314.470 3.225 10 0 DGAERO C[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@H]1CCSC1 ZINC000246488524 662261625 /nfs/dbraw/zinc/26/16/25/662261625.db2.gz PDMLWEJJZIZCKZ-KBPBESRZSA-N 1 0 310.850 3.270 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000718778435 662261653 /nfs/dbraw/zinc/26/16/53/662261653.db2.gz RSFAAUDZQOULLO-FFGOWVMKSA-N 1 0 316.489 3.444 10 0 DGAERO CN(C(=O)c1csc(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000718824889 662262381 /nfs/dbraw/zinc/26/23/81/662262381.db2.gz WKZDJLGLKDZAHN-UHFFFAOYSA-N 1 0 306.353 3.109 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)CC1 ZINC000718839501 662262457 /nfs/dbraw/zinc/26/24/57/662262457.db2.gz JHBLJOPOCPGFEG-NXEZZACHSA-N 1 0 305.287 3.095 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)ccc1OC ZINC000246572352 662265429 /nfs/dbraw/zinc/26/54/29/662265429.db2.gz YAYLDILKCYSZML-RLFYNMQTSA-N 1 0 320.477 3.221 10 0 DGAERO COCC1(C[NH2+]Cc2nc(C)c(Br)s2)CCC1 ZINC000719209094 662271502 /nfs/dbraw/zinc/27/15/02/662271502.db2.gz DFZJICOWMGVVFC-UHFFFAOYSA-N 1 0 319.268 3.120 10 0 DGAERO Cc1nc(C[NH2+]CC[C@@H]2CCSC2)sc1Br ZINC000719291758 662273129 /nfs/dbraw/zinc/27/31/29/662273129.db2.gz HAMCWWMAKOBHFE-SECBINFHSA-N 1 0 321.309 3.447 10 0 DGAERO CO[C@]1(C[NH2+][C@@H](C)c2cnc3ccsc3c2)CCSC1 ZINC000719323471 662274045 /nfs/dbraw/zinc/27/40/45/662274045.db2.gz JZUHAQQQACAPTD-NHYWBVRUSA-N 1 0 308.472 3.469 10 0 DGAERO Cc1ccccc1Cc1noc(-c2csc([C@@H](C)[NH3+])n2)n1 ZINC000090938819 662286391 /nfs/dbraw/zinc/28/63/91/662286391.db2.gz BDVUYCNWKVFAOO-SNVBAGLBSA-N 1 0 300.387 3.112 10 0 DGAERO Cc1cccc(Cc2noc(-c3csc([C@@H](C)[NH3+])n3)n2)c1 ZINC000090938835 662286486 /nfs/dbraw/zinc/28/64/86/662286486.db2.gz QMTPRVBKIKTEFD-SNVBAGLBSA-N 1 0 300.387 3.112 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c(C)c1Br ZINC000719565870 662292575 /nfs/dbraw/zinc/29/25/75/662292575.db2.gz QJKAXPNHWAGWOX-TZMCWYRMSA-N 1 0 312.251 3.317 10 0 DGAERO O=C(C[C@H]1CCCO1)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246975102 662294302 /nfs/dbraw/zinc/29/43/02/662294302.db2.gz ZRQOTXSCWZXWJY-ZWKOTPCHSA-N 1 0 317.429 3.011 10 0 DGAERO Cc1ccc(C[NH2+][C@H](CO)CC(F)F)c(C)c1Br ZINC000719612144 662294624 /nfs/dbraw/zinc/29/46/24/662294624.db2.gz KNEJPSLZYLTTER-NSHDSACASA-N 1 0 322.193 3.172 10 0 DGAERO C[C@@H]1[C@H]([NH2+][C@H]2CCc3sc(Br)cc32)CCN1C ZINC000719644806 662295150 /nfs/dbraw/zinc/29/51/50/662295150.db2.gz HWRQMGOKXHDEPB-IEBDPFPHSA-N 1 0 315.280 3.180 10 0 DGAERO C[C@H]1[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)CCN1C ZINC000719649527 662295552 /nfs/dbraw/zinc/29/55/52/662295552.db2.gz UKAJAZFIEVBRLN-XVKPBYJWSA-N 1 0 323.687 3.346 10 0 DGAERO C[C@@H]1[C@H](Nc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000719758966 662296643 /nfs/dbraw/zinc/29/66/43/662296643.db2.gz FZQKESJIBVBPMI-PSASIEDQSA-N 1 0 310.195 3.095 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]Cc1cc(O)ccc1Br ZINC000720140911 662302849 /nfs/dbraw/zinc/30/28/49/662302849.db2.gz MTYIPFBSCGIGIL-SECBINFHSA-N 1 0 302.212 3.058 10 0 DGAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000092801621 662336119 /nfs/dbraw/zinc/33/61/19/662336119.db2.gz FEWNQMODCFTAMJ-QZWWFDLISA-N 1 0 307.434 3.230 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(CSC(F)F)o1 ZINC000093437610 662354171 /nfs/dbraw/zinc/35/41/71/662354171.db2.gz CKWLZSBDYTYBNI-NWDGAFQWSA-N 1 0 316.417 3.404 10 0 DGAERO COc1cc(Br)ccc1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000712324391 685275260 /nfs/dbraw/zinc/27/52/60/685275260.db2.gz AIUPCCWFZCNRJN-GHMZBOCLSA-N 1 0 313.239 3.258 10 0 DGAERO Brc1ccoc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000723974764 685276106 /nfs/dbraw/zinc/27/61/06/685276106.db2.gz BBHVWEWKIGONPR-SMDDNHRTSA-N 1 0 314.223 3.337 10 0 DGAERO Brc1ccoc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723974759 685276182 /nfs/dbraw/zinc/27/61/82/685276182.db2.gz BBHVWEWKIGONPR-FZMZJTMJSA-N 1 0 314.223 3.337 10 0 DGAERO CC/C(=C\C(=O)N1CCC([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000178471040 685109970 /nfs/dbraw/zinc/10/99/70/685109970.db2.gz YFLUBLWZHKNNRH-CCEZHUSRSA-N 1 0 316.445 3.041 10 0 DGAERO c1ccc(CN2CCCC[C@H]2C[NH2+][C@H]2CCCOCC2)cc1 ZINC000379626647 685148912 /nfs/dbraw/zinc/14/89/12/685148912.db2.gz MHPWWHBEUINYQO-OALUTQOASA-N 1 0 302.462 3.200 10 0 DGAERO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc(C)c1O ZINC000381670059 685159194 /nfs/dbraw/zinc/15/91/94/685159194.db2.gz BTOZULCEAGTRTF-UONOGXRCSA-N 1 0 322.449 3.400 10 0 DGAERO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000381948026 685160779 /nfs/dbraw/zinc/16/07/79/685160779.db2.gz AMLVZSSGMYPZBZ-MGPQQGTHSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CS1 ZINC000381943903 685160951 /nfs/dbraw/zinc/16/09/51/685160951.db2.gz YBTJFJNOUPMGPK-MQYQWHSLSA-N 1 0 314.495 3.163 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000382183972 685162350 /nfs/dbraw/zinc/16/23/50/685162350.db2.gz APGGDZBCMDSGEY-OTJKEOIZSA-N 1 0 308.466 3.458 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000382451056 685163327 /nfs/dbraw/zinc/16/33/27/685163327.db2.gz MTXCZYPGLAHDTE-BFHYXJOUSA-N 1 0 314.470 3.225 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000382456196 685164274 /nfs/dbraw/zinc/16/42/74/685164274.db2.gz QPNIIFABKJLTPO-MELADBBJSA-N 1 0 314.470 3.083 10 0 DGAERO O[C@@H](C[NH2+]CCCCOCc1ccccc1)c1ccc(F)cc1 ZINC000390574360 685203144 /nfs/dbraw/zinc/20/31/44/685203144.db2.gz CDTHVYPPYWAQHQ-IBGZPJMESA-N 1 0 317.404 3.446 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000390794467 685206538 /nfs/dbraw/zinc/20/65/38/685206538.db2.gz YVRQJKYMCDTGHC-MNOVXSKESA-N 1 0 314.376 3.356 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cs1 ZINC000392788034 685215787 /nfs/dbraw/zinc/21/57/87/685215787.db2.gz BQWLTLPWOOFCFR-WDNDVIMCSA-N 1 0 308.447 3.011 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CSC2(C)C)C1 ZINC000393890235 685220087 /nfs/dbraw/zinc/22/00/87/685220087.db2.gz ZTDVBGIEMZQJEF-YNEHKIRRSA-N 1 0 314.495 3.306 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(F)c1F)[C@H](C)NC(=O)OC(C)(C)C ZINC000394639949 685222629 /nfs/dbraw/zinc/22/26/29/685222629.db2.gz YWQSEKBUSOTZMH-MNOVXSKESA-N 1 0 314.376 3.356 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000395552640 685225741 /nfs/dbraw/zinc/22/57/41/685225741.db2.gz AIWDIWVDADROJZ-KFWWJZLASA-N 1 0 314.470 3.179 10 0 DGAERO C[C@@]1(C[NH2+]C[C@@H](O)c2ccccc2)CCCN1Cc1ccccc1 ZINC000398007027 685233573 /nfs/dbraw/zinc/23/35/73/685233573.db2.gz YKWXPIKDHURPLB-RTWAWAEBSA-N 1 0 324.468 3.364 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)o1 ZINC000398966846 685238715 /nfs/dbraw/zinc/23/87/15/685238715.db2.gz RTMFMYAYPULIEK-BXUZGUMPSA-N 1 0 323.437 3.169 10 0 DGAERO COc1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c(OC)c1 ZINC000399059823 685239572 /nfs/dbraw/zinc/23/95/72/685239572.db2.gz NZDCUJUAZHCKFY-LLVKDONJSA-N 1 0 304.217 3.377 10 0 DGAERO Cc1csc2nc(C)c(C[NH2+]CCCc3nccs3)n12 ZINC000391202732 1176497497 /nfs/dbraw/zinc/49/74/97/1176497497.db2.gz MJGBBUOFQOVORW-UHFFFAOYSA-N 1 0 306.460 3.192 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+]CCOCc1ccccc1 ZINC000080244663 1176715933 /nfs/dbraw/zinc/71/59/33/1176715933.db2.gz XNRCIMHQQDASGB-UHFFFAOYSA-N 1 0 307.397 3.179 10 0 DGAERO CO[C@@H](C[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1CC1 ZINC000378825016 1176737693 /nfs/dbraw/zinc/73/76/93/1176737693.db2.gz OSNYKLWEGJTWJY-ZFWWWQNUSA-N 1 0 314.470 3.085 10 0 DGAERO CCc1cnc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)s1 ZINC000395069483 1176757619 /nfs/dbraw/zinc/75/76/19/1176757619.db2.gz ZTRYVYSYYWZQCR-UHFFFAOYSA-N 1 0 313.467 3.098 10 0 DGAERO Cc1[nH+]c2c(n1Cc1cncc(Br)c1)CCCC2 ZINC000168462004 1177226143 /nfs/dbraw/zinc/22/61/43/1177226143.db2.gz MTXKXWSOGXNAJC-UHFFFAOYSA-N 1 0 306.207 3.276 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1C ZINC000313596101 1177425675 /nfs/dbraw/zinc/42/56/75/1177425675.db2.gz WKVTVAOTRDVQKV-DOMZBBRYSA-N 1 0 312.251 3.350 10 0 DGAERO C[C@H]1CCC[C@H]([NH2+]CCn2cc(Br)cn2)CC1 ZINC000310304413 1177643760 /nfs/dbraw/zinc/64/37/60/1177643760.db2.gz RFPUYJWDIOTAOZ-AAEUAGOBSA-N 1 0 300.244 3.204 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cc(Br)ccc1F ZINC000085358603 1177648644 /nfs/dbraw/zinc/64/86/44/1177648644.db2.gz XBIVGYJFFMBNCC-ONGXEEELSA-N 1 0 315.186 3.044 10 0 DGAERO Fc1ccc(CC[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000061555039 1195199053 /nfs/dbraw/zinc/19/90/53/1195199053.db2.gz PLTBXQGHEZCEEP-UHFFFAOYSA-N 1 0 309.388 3.403 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(Cl)c1Cl ZINC000063167446 1195281862 /nfs/dbraw/zinc/28/18/62/1195281862.db2.gz YRGXSBOEWCRROV-SNVBAGLBSA-N 1 0 301.217 3.208 10 0 DGAERO c1cc(-c2nc(C[NH2+]CCOC[C@H]3CCOC3)cs2)cs1 ZINC000068993646 1195762589 /nfs/dbraw/zinc/76/25/89/1195762589.db2.gz SYFUOOANCHGYEY-LBPRGKRZSA-N 1 0 324.471 3.014 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@@H](OC)C(C)(C)C)cc1OC ZINC000072925275 1196122378 /nfs/dbraw/zinc/12/23/78/1196122378.db2.gz DDZFYBYAYGAWSK-QGZVFWFLSA-N 1 0 307.434 3.411 10 0 DGAERO C=CCc1cc(C[NH2+][C@H](CO)C2CCCCC2)cc(OC)c1O ZINC000072927497 1196122572 /nfs/dbraw/zinc/12/25/72/1196122572.db2.gz LJKGFYOFEFZCHJ-QGZVFWFLSA-N 1 0 319.445 3.160 10 0 DGAERO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)Cc2ccsc2)cc1 ZINC000081597516 1197237758 /nfs/dbraw/zinc/23/77/58/1197237758.db2.gz CIQJBHJRZOBRTD-CYBMUJFWSA-N 1 0 318.442 3.258 10 0 DGAERO CC[C@](C)(C[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)OC ZINC000322953452 1197689079 /nfs/dbraw/zinc/68/90/79/1197689079.db2.gz SFBDULNLOKTRQE-RHSMWYFYSA-N 1 0 316.486 3.475 10 0 DGAERO CC[C@@](C)(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)OC ZINC000322964115 1197689519 /nfs/dbraw/zinc/68/95/19/1197689519.db2.gz VKENZWAAWGQIAN-KRWDZBQOSA-N 1 0 316.486 3.427 10 0 DGAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000387049552 1197708187 /nfs/dbraw/zinc/70/81/87/1197708187.db2.gz SXBPPHVUGWLGPJ-MQIPJXDCSA-N 1 0 320.433 3.380 10 0 DGAERO OC[C@H]1CCCCC[N@@H+]1Cc1ccsc1Br ZINC000388886991 1197708836 /nfs/dbraw/zinc/70/88/36/1197708836.db2.gz LMWQPZIVQHGRHT-LLVKDONJSA-N 1 0 304.253 3.248 10 0 DGAERO Cc1ncc(C[NH2+]CCOCc2ccccc2)n1-c1ccccc1 ZINC000390187456 1197712621 /nfs/dbraw/zinc/71/26/21/1197712621.db2.gz MCQIFMCHTMJOSE-UHFFFAOYSA-N 1 0 321.424 3.487 10 0 DGAERO Cc1sc(C[NH2+]CCN2CC=CCC2)cc1Br ZINC000392264818 1197716738 /nfs/dbraw/zinc/71/67/38/1197716738.db2.gz VIQWQQSWHLROKE-UHFFFAOYSA-N 1 0 315.280 3.171 10 0 DGAERO CC[C@H](C)[C@@H](C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)OC ZINC000394459040 1197721027 /nfs/dbraw/zinc/72/10/27/1197721027.db2.gz TUAUEFYXYKAWNA-UONOGXRCSA-N 1 0 316.486 3.331 10 0 DGAERO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CO1 ZINC000396921668 1197723591 /nfs/dbraw/zinc/72/35/91/1197723591.db2.gz JUGVLFYBASOHGM-QZTJIDSGSA-N 1 0 302.462 3.198 10 0 DGAERO COc1ccc([C@H]([NH2+]Cc2cccc(N(C)C)n2)C2CC2)cc1 ZINC000091405946 1198396375 /nfs/dbraw/zinc/39/63/75/1198396375.db2.gz POHMCUZJHHMBEQ-LJQANCHMSA-N 1 0 311.429 3.397 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000096628183 1198982314 /nfs/dbraw/zinc/98/23/14/1198982314.db2.gz AXEUDYSZDJGUCT-OAHLLOKOSA-N 1 0 308.853 3.119 10 0 DGAERO CO[C@H](C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000400266266 1199348908 /nfs/dbraw/zinc/34/89/08/1199348908.db2.gz KLLBYJBARGPBHQ-RBUKOAKNSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722188 1199416882 /nfs/dbraw/zinc/41/68/82/1199416882.db2.gz JUKPCUIGXPCJQK-GXTWGEPZSA-N 1 0 308.422 3.323 10 0 DGAERO CC(C)SCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404798918 1199586073 /nfs/dbraw/zinc/58/60/73/1199586073.db2.gz JVIOPQZYRLNYJZ-QWHCGFSZSA-N 1 0 316.511 3.409 10 0 DGAERO CCCn1cncc1C[NH2+][C@]1(C)CCN(Cc2ccccc2)C1 ZINC000405998164 1199601639 /nfs/dbraw/zinc/60/16/39/1199601639.db2.gz XUYCUIJHAOCBMS-LJQANCHMSA-N 1 0 312.461 3.047 10 0 DGAERO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000305056768 1199671432 /nfs/dbraw/zinc/67/14/32/1199671432.db2.gz CTAFWDDWRKVWOO-VHSXEESVSA-N 1 0 304.203 3.085 10 0 DGAERO CSCCCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000309858708 1199711421 /nfs/dbraw/zinc/71/14/21/1199711421.db2.gz MJCJLWNYFQRNCJ-UHFFFAOYSA-N 1 0 304.500 3.413 10 0 DGAERO CCCn1cncc1C[NH2+]CCc1ccc(Br)cc1 ZINC000311481805 1199740312 /nfs/dbraw/zinc/74/03/12/1199740312.db2.gz RIICZYMKFPGDKZ-UHFFFAOYSA-N 1 0 322.250 3.388 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000312451773 1199752301 /nfs/dbraw/zinc/75/23/01/1199752301.db2.gz VBIDDTFPBLULCS-CYBMUJFWSA-N 1 0 316.276 3.492 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@H]2CCCC[C@H]2C)cs1)C1CC1 ZINC000115609716 1199755602 /nfs/dbraw/zinc/75/56/02/1199755602.db2.gz NQNWZBDIFOAWAM-ABAIWWIYSA-N 1 0 307.463 3.327 10 0 DGAERO CC[C@](C)(C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1)OC ZINC000319817712 1199841416 /nfs/dbraw/zinc/84/14/16/1199841416.db2.gz HXSICCNHSHGPJZ-RBUKOAKNSA-N 1 0 304.478 3.446 10 0 DGAERO c1[nH]nc2cc(C[NH2+]Cc3cccc4c3OCCCO4)ccc12 ZINC000128483131 1200770689 /nfs/dbraw/zinc/77/06/89/1200770689.db2.gz SBYZSXGPTPHZAS-UHFFFAOYSA-N 1 0 309.369 3.014 10 0 DGAERO Ic1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000130661478 1201052634 /nfs/dbraw/zinc/05/26/34/1201052634.db2.gz RZXALTBMKLWJRN-UHFFFAOYSA-N 1 0 313.138 3.174 10 0 DGAERO Cc1n[nH]cc1CCC[NH2+]Cc1sccc1Br ZINC000135506292 1201205990 /nfs/dbraw/zinc/20/59/90/1201205990.db2.gz FNOKCGCNEXUUTI-UHFFFAOYSA-N 1 0 314.252 3.265 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1ccccc1CNC(=O)OC(C)(C)C ZINC000220668999 1202566979 /nfs/dbraw/zinc/56/69/79/1202566979.db2.gz OQDKBEAKPAEVKA-AWEZNQCLSA-N 1 0 322.449 3.083 10 0 DGAERO Cc1ncccc1C[NH2+]CCNc1ncccc1C(F)(F)F ZINC000151134875 1202591545 /nfs/dbraw/zinc/59/15/45/1202591545.db2.gz KLCQBCGURPCSMS-UHFFFAOYSA-N 1 0 310.323 3.006 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@H](C)[C@H](CO)SC)cc1Cl ZINC000152489835 1202594583 /nfs/dbraw/zinc/59/45/83/1202594583.db2.gz GWIGPBFKCZXUBV-ABAIWWIYSA-N 1 0 315.866 3.107 10 0 DGAERO CC(C)C[C@@H](CO)[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230307107 1202597864 /nfs/dbraw/zinc/59/78/64/1202597864.db2.gz NKTHGFPSCMOTMI-VIFPVBQESA-N 1 0 322.193 3.224 10 0 DGAERO OC[C@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2Br)C1 ZINC000231292802 1202599160 /nfs/dbraw/zinc/59/91/60/1202599160.db2.gz AQPGYVUUWLWAFG-NEQJSVFRSA-N 1 0 324.262 3.446 10 0 DGAERO Cc1cc(=O)oc2cc(OCC[N@@H+](C)CC3CCC3)ccc12 ZINC000158096392 1202603295 /nfs/dbraw/zinc/60/32/95/1202603295.db2.gz KYMFQXNQKITFSI-UHFFFAOYSA-N 1 0 301.386 3.212 10 0 DGAERO c1[nH]nc2cc(CN[C@@H](C[NH+]3CCCC3)c3ccccc3)ccc12 ZINC000236657689 1202617127 /nfs/dbraw/zinc/61/71/27/1202617127.db2.gz WWYARFHNWCTJTG-FQEVSTJZSA-N 1 0 320.440 3.490 10 0 DGAERO C[C@H](Cc1ccsc1)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185017668 1202835010 /nfs/dbraw/zinc/83/50/10/1202835010.db2.gz GZVSXWKLRUZNEP-GFCCVEGCSA-N 1 0 316.430 3.200 10 0 DGAERO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)Cc1ccsc1)c1ccccc1 ZINC000246127718 1203711427 /nfs/dbraw/zinc/71/14/27/1203711427.db2.gz DVRBWRMXJDXFTK-LSDHHAIUSA-N 1 0 316.470 3.488 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000255902297 1203856075 /nfs/dbraw/zinc/85/60/75/1203856075.db2.gz MTRLJNQPQWPVBG-SQFISAMPSA-N 1 0 316.445 3.088 10 0 DGAERO Cc1ccc(-c2cc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)on2)cc1 ZINC000172044574 1203860628 /nfs/dbraw/zinc/86/06/28/1203860628.db2.gz LYYHRAJMNXWCNY-MCPYQZEQSA-N 1 0 312.413 3.243 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000176505473 1203932320 /nfs/dbraw/zinc/93/23/20/1203932320.db2.gz KQZQPYQXSTYJPS-CCEZHUSRSA-N 1 0 316.445 3.089 10 0 DGAERO [NH3+][C@@H](CNC(=O)CC1(CCc2ccccc2)CCCC1)C1CC1 ZINC000262000726 1204301754 /nfs/dbraw/zinc/30/17/54/1204301754.db2.gz ZWZAPSMOUOCORY-SFHVURJKSA-N 1 0 314.473 3.423 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]C[C@@H]2CCC=CO2)CCCCC1 ZINC000705569429 1081694755 /nfs/dbraw/zinc/69/47/55/1081694755.db2.gz XCDQHYHGPOIHIZ-HNNXBMFYSA-N 1 0 324.465 3.496 10 0 DGAERO CCCn1cncc1C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398036564 1082059920 /nfs/dbraw/zinc/05/99/20/1082059920.db2.gz NKGBZCJUSAGARA-SJLPKXTDSA-N 1 0 312.461 3.046 10 0 DGAERO CC(C)(C)c1cc(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC000398307926 1082127778 /nfs/dbraw/zinc/12/77/78/1082127778.db2.gz JKUFUJZTPOOXKA-MNZLEMJZSA-N 1 0 322.456 3.316 10 0 DGAERO CC(C)[C@H](C[NH2+][C@H](C)C1CCC1)ONC(=O)OC(C)(C)C ZINC000398836453 1082222028 /nfs/dbraw/zinc/22/20/28/1082222028.db2.gz NIWDOADAOZFXGF-OCCSQVGLSA-N 1 0 300.443 3.246 10 0 DGAERO COc1cccc([C@H](CNC(=O)/C(C)=C\C(C)(C)C)[NH+](C)C)c1 ZINC000588496394 1082485163 /nfs/dbraw/zinc/48/51/63/1082485163.db2.gz SFAVTSJFMDRYPX-AINHQSCGSA-N 1 0 318.461 3.407 10 0 DGAERO C/C(=C/C(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000588496533 1082485533 /nfs/dbraw/zinc/48/55/33/1082485533.db2.gz JSLHLYARWYLKQJ-AKMXKPQHSA-N 1 0 302.462 3.268 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711069286 1085296545 /nfs/dbraw/zinc/29/65/45/1085296545.db2.gz NRGGDPLMKRGITD-HUSMAVQQSA-N 1 0 308.466 3.458 10 0 DGAERO C[C@H](Cc1cccs1)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000251703406 1090214454 /nfs/dbraw/zinc/21/44/54/1090214454.db2.gz OFAJORVNNCKAMI-XOUADPBQSA-N 1 0 306.475 3.106 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC000715542103 1090644771 /nfs/dbraw/zinc/64/47/71/1090644771.db2.gz WZCGLIMPQLFUPW-GJZGRUSLSA-N 1 0 310.235 3.496 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CCC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000401726196 1092144760 /nfs/dbraw/zinc/14/47/60/1092144760.db2.gz LNORCTVKUADLQT-QWRGUYRKSA-N 1 0 310.360 3.174 10 0 DGAERO Clc1cccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000089952399 1092512439 /nfs/dbraw/zinc/51/24/39/1092512439.db2.gz QYBYMAWIEMTLRF-ZIAGYGMSSA-N 1 0 312.866 3.222 10 0 DGAERO CCOC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400328926 1093885867 /nfs/dbraw/zinc/88/58/67/1093885867.db2.gz BGBZDYFOSQWWDB-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@@H]([NH2+]Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400333485 1093886690 /nfs/dbraw/zinc/88/66/90/1093886690.db2.gz DNLJHZGAAPQSLU-CQSZACIVSA-N 1 0 319.449 3.207 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCO2)C12CCCC2 ZINC000401369952 1093946269 /nfs/dbraw/zinc/94/62/69/1093946269.db2.gz BNXTTWBIWIHGAP-GJZGRUSLSA-N 1 0 324.465 3.077 10 0 DGAERO COC(C)(C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000401450825 1093949401 /nfs/dbraw/zinc/94/94/01/1093949401.db2.gz ZPVJRWDKDGVVKL-ZDUSSCGKSA-N 1 0 314.470 3.179 10 0 DGAERO CCN(CCC[NH2+][C@H]1CCCc2n[nH]cc21)C(=O)OC(C)(C)C ZINC000401547476 1093955362 /nfs/dbraw/zinc/95/53/62/1093955362.db2.gz MTGQDAVBCRGROR-AWEZNQCLSA-N 1 0 322.453 3.024 10 0 DGAERO Cc1noc(C)c1C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401709159 1093966547 /nfs/dbraw/zinc/96/65/47/1093966547.db2.gz UOKMRFZXUGNUIK-BXUZGUMPSA-N 1 0 323.437 3.027 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCC(C)(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000401724861 1093968459 /nfs/dbraw/zinc/96/84/59/1093968459.db2.gz PRWMWOIWTVODCC-VXGBXAGGSA-N 1 0 306.397 3.267 10 0 DGAERO Brc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000403550616 1094139617 /nfs/dbraw/zinc/13/96/17/1094139617.db2.gz HOMKFMUZAJXALO-YHWZYXNKSA-N 1 0 313.264 3.360 10 0 DGAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccns1 ZINC000404372887 1094255128 /nfs/dbraw/zinc/25/51/28/1094255128.db2.gz RJISWPDVGTUUBW-GFCCVEGCSA-N 1 0 313.467 3.316 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CC2)Cc2ccccc21 ZINC000404427569 1094257793 /nfs/dbraw/zinc/25/77/93/1094257793.db2.gz FGEXWTRBUHRWMI-HNNXBMFYSA-N 1 0 302.418 3.352 10 0 DGAERO C[C@H]([NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)c1ccccn1 ZINC000404771970 1094268166 /nfs/dbraw/zinc/26/81/66/1094268166.db2.gz XHYZUKMNCDUQRW-AWEZNQCLSA-N 1 0 319.449 3.427 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CO[C@H]1C ZINC000405805841 1094436905 /nfs/dbraw/zinc/43/69/05/1094436905.db2.gz WNEPRNOMJJAEFV-FYAJOAKPSA-N 1 0 302.462 3.053 10 0 DGAERO Fc1ccc(CC[NH2+]Cc2ccc(C3OCCO3)cc2)cc1 ZINC000405855475 1094445754 /nfs/dbraw/zinc/44/57/54/1094445754.db2.gz ARQYAXKIMNBDKX-UHFFFAOYSA-N 1 0 301.361 3.203 10 0 DGAERO COCC[C@H](C)[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C ZINC000309947851 1094842642 /nfs/dbraw/zinc/84/26/42/1094842642.db2.gz DSNMADUWNBXEDD-KGLIPLIRSA-N 1 0 302.459 3.085 10 0 DGAERO CCO[C@H]1CCC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)C1 ZINC000721193621 1096821238 /nfs/dbraw/zinc/82/12/38/1096821238.db2.gz JSIRKSKFRSVBKK-CABCVRRESA-N 1 0 314.470 3.181 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000721939217 1098191944 /nfs/dbraw/zinc/19/19/44/1098191944.db2.gz KBQRHVAHFAWVAN-XJKCOSOUSA-N 1 0 314.495 3.117 10 0 DGAERO CCC[NH2+][C@@H](CNC(=O)c1cc2sccc2s1)C1CC1 ZINC000722092292 1098540261 /nfs/dbraw/zinc/54/02/61/1098540261.db2.gz MLNBDACULGWKDZ-NSHDSACASA-N 1 0 308.472 3.471 10 0 DGAERO COC(=O)/C(C)=C/C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000717969823 1104471852 /nfs/dbraw/zinc/47/18/52/1104471852.db2.gz HXSABFZCWDEDBA-PNUWANSTSA-N 1 0 317.429 3.079 10 0 DGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724109422 1106627888 /nfs/dbraw/zinc/62/78/88/1106627888.db2.gz LXZVAULNFHXGCW-MWLCHTKSSA-N 1 0 303.315 3.303 10 0 DGAERO CC(C)c1cc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ncn1 ZINC000379680910 1108038593 /nfs/dbraw/zinc/03/85/93/1108038593.db2.gz OLRTYHOEXVKAHG-SFHVURJKSA-N 1 0 324.472 3.489 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2Br)[C@@H](C)O1 ZINC000384704569 1108304862 /nfs/dbraw/zinc/30/48/62/1108304862.db2.gz FJKYKELXGOMQFT-LNLATYFQSA-N 1 0 302.187 3.244 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1 ZINC000700721093 1108859143 /nfs/dbraw/zinc/85/91/43/1108859143.db2.gz GDEVZQPGPXYVFU-CYBMUJFWSA-N 1 0 312.866 3.033 10 0 DGAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CCc2cccc(Br)c2C1 ZINC000245920602 546300685 /nfs/dbraw/zinc/30/06/85/546300685.db2.gz SMCKKTSJVUAZKI-HUUCEWRRSA-N 1 0 310.235 3.111 10 0 DGAERO C[C@H]1CCc2c(C(=O)N3CCC[N@@H+](C4CC4)CC3)csc2C1 ZINC000061604834 432002459 /nfs/dbraw/zinc/00/24/59/432002459.db2.gz JPTVBBATLXHNKR-ZDUSSCGKSA-N 1 0 318.486 3.183 10 0 DGAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000278595127 214263369 /nfs/dbraw/zinc/26/33/69/214263369.db2.gz ZFGUNJARFVWAFC-DHSIGJKJSA-N 1 0 315.417 3.241 10 0 DGAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000079308965 185164195 /nfs/dbraw/zinc/16/41/95/185164195.db2.gz UHQWNJDHPNMGBK-CABCVRRESA-N 1 0 320.477 3.176 10 0 DGAERO C[C@H]([NH2+]Cc1ccsc1Br)[C@H]1CCCOC1 ZINC000309740422 231103589 /nfs/dbraw/zinc/10/35/89/231103589.db2.gz DFIYISPOQXVUDH-ONGXEEELSA-N 1 0 304.253 3.415 10 0 DGAERO c1nnc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000310019051 231110932 /nfs/dbraw/zinc/11/09/32/231110932.db2.gz QFOLRYWPRHMSKG-OAHLLOKOSA-N 1 0 302.447 3.252 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)N1CCCC12CCC2)C1CCCCC1 ZINC000444843993 282173081 /nfs/dbraw/zinc/17/30/81/282173081.db2.gz CNXDGVKCRJZFRN-INIZCTEOSA-N 1 0 307.482 3.225 10 0 DGAERO Cc1cc(C)c([C@@H](O)[C@H]2CCC[NH2+]C2)c(C)c1Br ZINC000083161613 185215137 /nfs/dbraw/zinc/21/51/37/185215137.db2.gz UWVZTXOKGGTLOW-WFASDCNBSA-N 1 0 312.251 3.407 10 0 DGAERO O[C@H](c1ccc(Br)c2ccccc21)[C@H]1CCC[NH2+]1 ZINC000083165719 185215649 /nfs/dbraw/zinc/21/56/49/185215649.db2.gz ZERSKFQAGFSWPN-HUUCEWRRSA-N 1 0 306.203 3.388 10 0 DGAERO c1cn2c(cccc2C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000328624086 231254796 /nfs/dbraw/zinc/25/47/96/231254796.db2.gz JRAWWLNHGNWETR-VQIMIIECSA-N 1 0 307.397 3.202 10 0 DGAERO CCN(C)C(=O)CC[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181303937 199279165 /nfs/dbraw/zinc/27/91/65/199279165.db2.gz NTTSIUBYTBVRGO-OAHLLOKOSA-N 1 0 311.429 3.268 10 0 DGAERO COc1cccc([C@H](C)[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000083405499 185222281 /nfs/dbraw/zinc/22/22/81/185222281.db2.gz ZFZCBDKYNDKKJH-HNAYVOBHSA-N 1 0 319.445 3.416 10 0 DGAERO CCc1cc(C)c(C(=O)NCc2ccccc2C[NH+](C)C)o1 ZINC000178366121 529524187 /nfs/dbraw/zinc/52/41/87/529524187.db2.gz SNJSTQISELIPJP-UHFFFAOYSA-N 1 0 300.402 3.142 10 0 DGAERO O=C(CCc1ccccn1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000063337450 432005493 /nfs/dbraw/zinc/00/54/93/432005493.db2.gz XATQWJNPXNPKBI-UHFFFAOYSA-N 1 0 309.413 3.249 10 0 DGAERO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(F)cc1F ZINC000063457243 432005642 /nfs/dbraw/zinc/00/56/42/432005642.db2.gz RWICLOYHRMGJGD-UHFFFAOYSA-N 1 0 320.339 3.158 10 0 DGAERO NC(=O)N1CCC([NH2+]C(c2cccs2)c2cccs2)CC1 ZINC000090060198 185280119 /nfs/dbraw/zinc/28/01/19/185280119.db2.gz WWAYETKXOPLXTK-UHFFFAOYSA-N 1 0 321.471 3.032 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCCOC2CCOCC2)ccc1F ZINC000090082777 185280962 /nfs/dbraw/zinc/28/09/62/185280962.db2.gz VMWWSFDANQJLFE-CYBMUJFWSA-N 1 0 311.397 3.071 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000187891856 282220534 /nfs/dbraw/zinc/22/05/34/282220534.db2.gz MIHGECBXDQPNGP-IEBWSBKVSA-N 1 0 324.472 3.490 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000090227919 185287890 /nfs/dbraw/zinc/28/78/90/185287890.db2.gz XFRAIQLFXFJNNL-QZTJIDSGSA-N 1 0 310.445 3.341 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(-c2cccnc2)cc1 ZINC000181316536 199280898 /nfs/dbraw/zinc/28/08/98/199280898.db2.gz BGJOZZPGQGNKEV-WMLDXEAASA-N 1 0 310.397 3.352 10 0 DGAERO COCCC1(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000090536512 185301266 /nfs/dbraw/zinc/30/12/66/185301266.db2.gz PUWXNRMOGNTGHN-CYBMUJFWSA-N 1 0 320.433 3.121 10 0 DGAERO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000090666147 185308765 /nfs/dbraw/zinc/30/87/65/185308765.db2.gz OQTPYOUWZSIFQO-HZMBPMFUSA-N 1 0 309.335 3.462 10 0 DGAERO CCC[N@H+](C)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000063761686 432006357 /nfs/dbraw/zinc/00/63/57/432006357.db2.gz IZBKVCWLOYTACQ-IBGZPJMESA-N 1 0 313.441 3.495 10 0 DGAERO CCc1oc2ccccc2c1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647836 185331496 /nfs/dbraw/zinc/33/14/96/185331496.db2.gz VMXUDBGFKIGZAD-UHFFFAOYSA-N 1 0 310.401 3.424 10 0 DGAERO c1csc(Cn2cccc2CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000092756198 185338100 /nfs/dbraw/zinc/33/81/00/185338100.db2.gz VKQRXGRVAMPYGF-KRWDZBQOSA-N 1 0 315.486 3.268 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810825 185343061 /nfs/dbraw/zinc/34/30/61/185343061.db2.gz MBWDSUOGBAZQLY-UHFFFAOYSA-N 1 0 321.428 3.488 10 0 DGAERO COc1cccc2cc([C@H](C)[NH2+]CCCN3CCCC3=O)oc21 ZINC000181414145 199292630 /nfs/dbraw/zinc/29/26/30/199292630.db2.gz BXXOEVHPSGCPGS-ZDUSSCGKSA-N 1 0 316.401 3.105 10 0 DGAERO Cc1cccc(-c2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2)c1 ZINC000181466260 199301074 /nfs/dbraw/zinc/30/10/74/199301074.db2.gz YPSYVGQJKOBZME-UHFFFAOYSA-N 1 0 323.440 3.295 10 0 DGAERO CN(C)c1cccc(C[N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000435127080 529789129 /nfs/dbraw/zinc/78/91/29/529789129.db2.gz UNKDNIVTOQOCCL-UHFFFAOYSA-N 1 0 310.401 3.368 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2ccnc3ccccc32)CC1 ZINC000129671883 432007860 /nfs/dbraw/zinc/00/78/60/432007860.db2.gz TWEUXQGYXVWFDP-UHFFFAOYSA-N 1 0 311.429 3.085 10 0 DGAERO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129794539 432008799 /nfs/dbraw/zinc/00/87/99/432008799.db2.gz LELNKIAUYVOQKR-CKUJCDMFSA-N 1 0 320.502 3.397 10 0 DGAERO CN(CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)CC(F)(F)F ZINC000436246309 529917919 /nfs/dbraw/zinc/91/79/19/529917919.db2.gz PWFURIXSHDGQLL-LSDHHAIUSA-N 1 0 300.368 3.406 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103297558 185445407 /nfs/dbraw/zinc/44/54/07/185445407.db2.gz MVXKVMNSPPNLDG-IAGOWNOFSA-N 1 0 309.498 3.184 10 0 DGAERO COC[C@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000103430845 185451220 /nfs/dbraw/zinc/45/12/20/185451220.db2.gz RYZSSTIUSRIMQA-HNNXBMFYSA-N 1 0 304.434 3.140 10 0 DGAERO C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CCc2ccccc2C1 ZINC000442884303 529977058 /nfs/dbraw/zinc/97/70/58/529977058.db2.gz XRDQZLBISHYANV-AWEZNQCLSA-N 1 0 309.335 3.418 10 0 DGAERO C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1F ZINC000109022986 185546857 /nfs/dbraw/zinc/54/68/57/185546857.db2.gz NESUVVJDASOTIR-OAHLLOKOSA-N 1 0 318.436 3.264 10 0 DGAERO COC(=O)c1ccc(Cl)c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000181965442 199367517 /nfs/dbraw/zinc/36/75/17/199367517.db2.gz NMRQCTDZMNJQTI-SWLSCSKDSA-N 1 0 324.852 3.041 10 0 DGAERO Cc1sc2nc(C)nc(N3CC[C@@H]([NH3+])C(C)(C)C3)c2c1C ZINC000261784145 282483125 /nfs/dbraw/zinc/48/31/25/282483125.db2.gz XEXGKZZXLKLYAH-GFCCVEGCSA-N 1 0 304.463 3.180 10 0 DGAERO CC[NH2+]Cc1cccc(NC(=O)c2ncccc2OC(C)C)c1 ZINC000123593218 185823618 /nfs/dbraw/zinc/82/36/18/185823618.db2.gz DDCDEGRBJDSAOG-UHFFFAOYSA-N 1 0 313.401 3.231 10 0 DGAERO CCc1cnc(CC[NH2+][C@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000130292306 432020312 /nfs/dbraw/zinc/02/03/12/432020312.db2.gz PMLMBWILSSEOEB-GFCCVEGCSA-N 1 0 318.442 3.370 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(F)c(Cl)cc1Cl ZINC000084059587 192397401 /nfs/dbraw/zinc/39/74/01/192397401.db2.gz QRAITRKAYVEUSQ-IUCAKERBSA-N 1 0 319.207 3.404 10 0 DGAERO CCC[N@H+](CCC(=O)Nc1ccccc1F)C[C@@H]1CCCCO1 ZINC000106866180 432023609 /nfs/dbraw/zinc/02/36/09/432023609.db2.gz VPARKURGMUPROG-HNNXBMFYSA-N 1 0 322.424 3.435 10 0 DGAERO C[C@H](c1cccc(Br)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261559208 290244527 /nfs/dbraw/zinc/24/45/27/290244527.db2.gz DPLSNDVQXPFKMT-BNOWGMLFSA-N 1 0 309.251 3.051 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1Cc1ccccc1Cl ZINC000071668866 191001442 /nfs/dbraw/zinc/00/14/42/191001442.db2.gz JXXQYZDCYXJQEJ-CYBMUJFWSA-N 1 0 310.825 3.091 10 0 DGAERO Cc1nc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)nc2ccccc12 ZINC000140419136 186026950 /nfs/dbraw/zinc/02/69/50/186026950.db2.gz HDHGTCPOFJWKIQ-DNVCBOLYSA-N 1 0 311.429 3.065 10 0 DGAERO COC(=O)c1ccc(F)c(C[N@H+](C)CCc2ncc(C)s2)c1 ZINC000182025258 199376378 /nfs/dbraw/zinc/37/63/78/199376378.db2.gz HJXJPLUYICWZCZ-UHFFFAOYSA-N 1 0 322.405 3.052 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000164268882 186153995 /nfs/dbraw/zinc/15/39/95/186153995.db2.gz VOZAXUSULWUZAZ-MWLCHTKSSA-N 1 0 304.253 3.151 10 0 DGAERO CCCC[C@@H](COC)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177856042 186193838 /nfs/dbraw/zinc/19/38/38/186193838.db2.gz RKAPRGSSNAGLIZ-SFHVURJKSA-N 1 0 318.461 3.086 10 0 DGAERO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000183867033 186225441 /nfs/dbraw/zinc/22/54/41/186225441.db2.gz ASUWCSOJNLQKPC-HOCLYGCPSA-N 1 0 309.413 3.166 10 0 DGAERO Cc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000130466311 432025711 /nfs/dbraw/zinc/02/57/11/432025711.db2.gz GPTFOKMPQURMER-UHFFFAOYSA-N 1 0 308.853 3.499 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000281318299 186522099 /nfs/dbraw/zinc/52/20/99/186522099.db2.gz ZQIYHFILDCLGIS-KBXCAEBGSA-N 1 0 304.409 3.125 10 0 DGAERO CCCCOc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171891380 198001817 /nfs/dbraw/zinc/00/18/17/198001817.db2.gz ZUFDDFRIZSDRPE-INIZCTEOSA-N 1 0 317.433 3.177 10 0 DGAERO C[C@@H](C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000172014182 198025588 /nfs/dbraw/zinc/02/55/88/198025588.db2.gz YTNBNLVOFLRUKI-GHTZIAJQSA-N 1 0 324.468 3.141 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(F)cc1)CC2 ZINC000171981098 198020161 /nfs/dbraw/zinc/02/01/61/198020161.db2.gz BIZJJMIEAJXCMD-IUODEOHRSA-N 1 0 302.397 3.206 10 0 DGAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCCC2)cc1OC ZINC000172168725 198050781 /nfs/dbraw/zinc/05/07/81/198050781.db2.gz FUIKPPWABWBWFW-STQMWFEESA-N 1 0 320.433 3.199 10 0 DGAERO CCN(CC(C)C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000172160077 198048667 /nfs/dbraw/zinc/04/86/67/198048667.db2.gz WPNMNALRMGDYAH-UHFFFAOYSA-N 1 0 309.429 3.075 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCCC2)cc1 ZINC000172169803 198051650 /nfs/dbraw/zinc/05/16/50/198051650.db2.gz VAOQWFKDZNIYLO-OLZOCXBDSA-N 1 0 302.418 3.385 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2scnc2C(C)(C)C)CC1 ZINC000130559513 432027459 /nfs/dbraw/zinc/02/74/59/432027459.db2.gz GITCYNBRSWKSNI-UHFFFAOYSA-N 1 0 323.506 3.291 10 0 DGAERO Cc1csc(Nc2cc([C@H]3CCCC[N@H+]3C)nc(C)n2)n1 ZINC000072382621 191142442 /nfs/dbraw/zinc/14/24/42/191142442.db2.gz IRPLSNAQLZWUJI-CYBMUJFWSA-N 1 0 303.435 3.450 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000172289007 198071431 /nfs/dbraw/zinc/07/14/31/198071431.db2.gz OSELKDUHECSOOF-SFHVURJKSA-N 1 0 310.445 3.166 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1cccnc1Cl ZINC000172603584 198123099 /nfs/dbraw/zinc/12/30/99/198123099.db2.gz SKUQDHOONVZNDI-UWVGGRQHSA-N 1 0 309.822 3.474 10 0 DGAERO CCOc1ccc(C(C)=O)cc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000172848031 198157415 /nfs/dbraw/zinc/15/74/15/198157415.db2.gz IDRLHGRRYKCAII-RDTXWAMCSA-N 1 0 318.461 3.202 10 0 DGAERO C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CCS1 ZINC000173133640 198187101 /nfs/dbraw/zinc/18/71/01/198187101.db2.gz UOMRREGTOIBIHY-LBPRGKRZSA-N 1 0 318.442 3.072 10 0 DGAERO C[C@H]1C[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC000067399492 432030666 /nfs/dbraw/zinc/03/06/66/432030666.db2.gz HYCQAOJAUOSIBX-KBPBESRZSA-N 1 0 314.495 3.071 10 0 DGAERO CCC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000173446305 198215133 /nfs/dbraw/zinc/21/51/33/198215133.db2.gz DVBASACRDHZLGW-ZWKOTPCHSA-N 1 0 313.445 3.184 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2cccc(Br)c2)n1 ZINC000173391103 198210406 /nfs/dbraw/zinc/21/04/06/198210406.db2.gz BROWIVHCVPJYAL-SECBINFHSA-N 1 0 310.195 3.034 10 0 DGAERO C/C(=C\C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000174233368 198308781 /nfs/dbraw/zinc/30/87/81/198308781.db2.gz QHPAOACRDNTSLR-MZFYWZKRSA-N 1 0 316.420 3.361 10 0 DGAERO CCS[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000107526118 432033373 /nfs/dbraw/zinc/03/33/73/432033373.db2.gz LLMMHEPQGRWLMJ-HZPDHXFCSA-N 1 0 312.523 3.241 10 0 DGAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000174468149 198338404 /nfs/dbraw/zinc/33/84/04/198338404.db2.gz NANXPQUEHBFGTR-VXGBXAGGSA-N 1 0 312.360 3.347 10 0 DGAERO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)sc1C ZINC000107526942 432033398 /nfs/dbraw/zinc/03/33/98/432033398.db2.gz UJVGKWDYLUFGQC-HNNXBMFYSA-N 1 0 306.475 3.455 10 0 DGAERO CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174677299 198369258 /nfs/dbraw/zinc/36/92/58/198369258.db2.gz KPTCILBLECJYEV-NXHRZFHOSA-N 1 0 317.477 3.132 10 0 DGAERO C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C[C@@H]1CCCOC1 ZINC000107689736 432036534 /nfs/dbraw/zinc/03/65/34/432036534.db2.gz JWTYYUJWXHYOIZ-ZDUSSCGKSA-N 1 0 304.365 3.339 10 0 DGAERO COc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000107697532 432036811 /nfs/dbraw/zinc/03/68/11/432036811.db2.gz AYINPGLVWLHXBJ-MRXNPFEDSA-N 1 0 306.425 3.285 10 0 DGAERO Cc1cccc(COc2ccc([C@H](C)[NH2+][C@@H]3CCNC3=O)cc2)c1 ZINC000179066585 432037538 /nfs/dbraw/zinc/03/75/38/432037538.db2.gz AEHOZHQJEKUYGP-HNAYVOBHSA-N 1 0 324.424 3.113 10 0 DGAERO CCCCCOc1cc(C)ccc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236762642 201997676 /nfs/dbraw/zinc/99/76/76/201997676.db2.gz TVZIYUNMTIPVSE-NVXWUHKLSA-N 1 0 318.461 3.308 10 0 DGAERO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000236785375 202007925 /nfs/dbraw/zinc/00/79/25/202007925.db2.gz QVGFCJOWRMISBX-WDMOLILDSA-N 1 0 316.367 3.297 10 0 DGAERO Fc1ccc2c(c1)[C@H]([N@@H+]1CCCN(c3ccccn3)CC1)CC2 ZINC000183820766 283004106 /nfs/dbraw/zinc/00/41/06/283004106.db2.gz VHLSEGQDTYLNGA-GOSISDBHSA-N 1 0 311.404 3.420 10 0 DGAERO COc1ccccc1CCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000182423419 199436704 /nfs/dbraw/zinc/43/67/04/199436704.db2.gz LUBRPFOSGQGQCA-UHFFFAOYSA-N 1 0 313.445 3.241 10 0 DGAERO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000131828418 432038952 /nfs/dbraw/zinc/03/89/52/432038952.db2.gz JLNYGCCFMZTMLC-IBGZPJMESA-N 1 0 321.428 3.251 10 0 DGAERO O=C(c1ccc2[nH]ccc2c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000107780680 432040334 /nfs/dbraw/zinc/04/03/34/432040334.db2.gz NTIFELDNIXJCCT-UHFFFAOYSA-N 1 0 311.429 3.116 10 0 DGAERO Cc1nc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(C)s1 ZINC000179124283 432043981 /nfs/dbraw/zinc/04/39/81/432043981.db2.gz WSYUPDBUIJTXCS-LBPRGKRZSA-N 1 0 309.479 3.144 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C2(Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000132043993 432044038 /nfs/dbraw/zinc/04/40/38/432044038.db2.gz HMHCOHGRLAXOIE-AEFFLSMTSA-N 1 0 314.473 3.341 10 0 DGAERO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000179150430 432046171 /nfs/dbraw/zinc/04/61/71/432046171.db2.gz JNDAYDMIVLPZLS-AWEZNQCLSA-N 1 0 318.348 3.008 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132247257 432047800 /nfs/dbraw/zinc/04/78/00/432047800.db2.gz CKKMOQAYHRROHX-WMZOPIPTSA-N 1 0 317.477 3.255 10 0 DGAERO CC1(C)CCCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000077521910 191730578 /nfs/dbraw/zinc/73/05/78/191730578.db2.gz UMQJGGPENAIJOF-UHFFFAOYSA-N 1 0 307.482 3.225 10 0 DGAERO Cc1ccc(CCCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000164554172 432049137 /nfs/dbraw/zinc/04/91/37/432049137.db2.gz BQVWERRLDVILRB-RBUKOAKNSA-N 1 0 314.473 3.260 10 0 DGAERO c1ccc(N2CC[NH+](C[C@@H]3CCc4ccccc4N3)CC2)cc1 ZINC000005162413 181211515 /nfs/dbraw/zinc/21/15/15/181211515.db2.gz MFVCIOLUKKPQLX-SFHVURJKSA-N 1 0 307.441 3.236 10 0 DGAERO CC(C)Cn1ccnc1CN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000164817853 432051565 /nfs/dbraw/zinc/05/15/65/432051565.db2.gz BJFJNLQJGWPNSI-FPTDNZKUSA-N 1 0 319.474 3.127 10 0 DGAERO Fc1ccc(Br)c2c1CC[C@H]2[NH2+][C@H]1CCCOC1 ZINC000179316624 432054063 /nfs/dbraw/zinc/05/40/63/432054063.db2.gz UQYPWWWCJOQRAU-TVQRCGJNSA-N 1 0 314.198 3.344 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC000177606925 198750962 /nfs/dbraw/zinc/75/09/62/198750962.db2.gz CNLSCMLNSBZFNK-ZIAGYGMSSA-N 1 0 306.425 3.092 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)ccc1F ZINC000179424012 432057560 /nfs/dbraw/zinc/05/75/60/432057560.db2.gz XPBBMNKHDWZJMG-PBQZTSCYSA-N 1 0 301.361 3.143 10 0 DGAERO C[C@H]1C[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)CCCO1 ZINC000179400996 432057567 /nfs/dbraw/zinc/05/75/67/432057567.db2.gz MXSNMXPFBHLWQE-ZDUSSCGKSA-N 1 0 319.836 3.351 10 0 DGAERO CCCOc1ccc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000179433871 432058088 /nfs/dbraw/zinc/05/80/88/432058088.db2.gz JQQLAQBENQPRST-OAHLLOKOSA-N 1 0 305.422 3.081 10 0 DGAERO CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000179473373 432059135 /nfs/dbraw/zinc/05/91/35/432059135.db2.gz NWYWMMJDDQITLW-MSOLQXFVSA-N 1 0 315.461 3.406 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccccn1 ZINC000179466373 432059534 /nfs/dbraw/zinc/05/95/34/432059534.db2.gz WKVXSPTYHHPSSF-INIZCTEOSA-N 1 0 319.408 3.142 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCCCCC2)[C@@H]1c1ccccc1 ZINC000179483235 432060481 /nfs/dbraw/zinc/06/04/81/432060481.db2.gz QLVVIDHKHPQXHU-SJORKVTESA-N 1 0 301.434 3.017 10 0 DGAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1 ZINC000236924152 202073736 /nfs/dbraw/zinc/07/37/36/202073736.db2.gz LUXGWVRXEWNIOG-LRDDRELGSA-N 1 0 300.406 3.005 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000237000843 202117442 /nfs/dbraw/zinc/11/74/42/202117442.db2.gz UAVKFNBMZGNMDS-KHQFGBGNSA-N 1 0 323.384 3.103 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1OCCc2ccccc21 ZINC000237078786 202144710 /nfs/dbraw/zinc/14/47/10/202144710.db2.gz JDXMOLBWFOTWPD-SFHVURJKSA-N 1 0 310.397 3.049 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000237083176 202145830 /nfs/dbraw/zinc/14/58/30/202145830.db2.gz UQRSYJFKFXDSDK-NSHDSACASA-N 1 0 312.866 3.031 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000237137820 202163586 /nfs/dbraw/zinc/16/35/86/202163586.db2.gz FLIDROLFXOJQSI-UHFFFAOYSA-N 1 0 322.452 3.296 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000237144923 202164979 /nfs/dbraw/zinc/16/49/79/202164979.db2.gz XUYMPPLKTKKBMN-UHFFFAOYSA-N 1 0 306.475 3.231 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3cnn(C)c3)C1)CCC2 ZINC000166704488 432062142 /nfs/dbraw/zinc/06/21/42/432062142.db2.gz ATWAHYKINTWMFI-FXAWDEMLSA-N 1 0 324.472 3.365 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1F ZINC000237183771 202179928 /nfs/dbraw/zinc/17/99/28/202179928.db2.gz ZIVMOXZJISOYCR-CHWSQXEVSA-N 1 0 322.424 3.037 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000237184306 202181170 /nfs/dbraw/zinc/18/11/70/202181170.db2.gz HQQRTFHEQSHITL-SQWLQELKSA-N 1 0 304.434 3.358 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000179601377 432065004 /nfs/dbraw/zinc/06/50/04/432065004.db2.gz RCEMAFBXVUIQIY-HOCLYGCPSA-N 1 0 309.498 3.327 10 0 DGAERO CN(C(=O)Cc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237212425 202192607 /nfs/dbraw/zinc/19/26/07/202192607.db2.gz TUHRQMQZELOOSY-JWTNVVGKSA-N 1 0 308.425 3.124 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000133437721 432063867 /nfs/dbraw/zinc/06/38/67/432063867.db2.gz VQXYKNKAHRLFCH-GDBMZVCRSA-N 1 0 320.864 3.215 10 0 DGAERO C[C@@H]1C[C@H](Nc2nn3cc(C(C)(C)C)nc3s2)C[N@@H+]1C1CC1 ZINC000133515894 432065282 /nfs/dbraw/zinc/06/52/82/432065282.db2.gz VDIPVLKODRWUMR-MNOVXSKESA-N 1 0 319.478 3.125 10 0 DGAERO CCC(CC)n1nc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000179674393 432067587 /nfs/dbraw/zinc/06/75/87/432067587.db2.gz WZZKCXNGYZXZLV-CJNGLKHVSA-N 1 0 320.481 3.107 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000133676354 432068691 /nfs/dbraw/zinc/06/86/91/432068691.db2.gz AOYYMKCVAKCWPD-INIZCTEOSA-N 1 0 309.498 3.329 10 0 DGAERO Fc1cc(CN2CCC[N@@H+](C3CC3)CC2)ccc1OC(F)F ZINC000179728300 432069579 /nfs/dbraw/zinc/06/95/79/432069579.db2.gz RNNQNPJONRTNFX-UHFFFAOYSA-N 1 0 314.351 3.097 10 0 DGAERO CC[NH+](CC)CC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000179764451 432069848 /nfs/dbraw/zinc/06/98/48/432069848.db2.gz MLLMRSZCDFSVND-CQSZACIVSA-N 1 0 310.825 3.012 10 0 DGAERO C[C@H]1CN(C2CC[NH+](CC(C)(C)c3ccccc3)CC2)CCO1 ZINC000179784945 432070338 /nfs/dbraw/zinc/07/03/38/432070338.db2.gz WLZWYQIAHQUUNG-KRWDZBQOSA-N 1 0 316.489 3.149 10 0 DGAERO Cc1csc(C2CC[NH+](Cc3cnn4ccccc34)CC2)n1 ZINC000179825741 432071863 /nfs/dbraw/zinc/07/18/63/432071863.db2.gz HLUSRZYDIQHWJA-UHFFFAOYSA-N 1 0 312.442 3.479 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000179400412 199029358 /nfs/dbraw/zinc/02/93/58/199029358.db2.gz MNSNNMVMINYOBS-HNNXBMFYSA-N 1 0 317.477 3.050 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(-c2cnc(C)o2)cc1)[NH+](C)C ZINC000179440966 199035949 /nfs/dbraw/zinc/03/59/49/199035949.db2.gz LYAKDKNXVMZHKD-OAHLLOKOSA-N 1 0 301.390 3.319 10 0 DGAERO CCOCc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1OC ZINC000179902299 432073716 /nfs/dbraw/zinc/07/37/16/432073716.db2.gz RUOKXHCSCJUYOA-QAPCUYQASA-N 1 0 320.477 3.146 10 0 DGAERO Cc1scc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1C ZINC000179661477 199071502 /nfs/dbraw/zinc/07/15/02/199071502.db2.gz YZJZQYTZYDZZKK-INIZCTEOSA-N 1 0 302.443 3.398 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ccncc2)CC1 ZINC000179777294 199078925 /nfs/dbraw/zinc/07/89/25/199078925.db2.gz BCWQOOKJQRMPDV-MRXNPFEDSA-N 1 0 310.445 3.397 10 0 DGAERO Cn1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000179772085 199079204 /nfs/dbraw/zinc/07/92/04/199079204.db2.gz AECJEDOUJUHRND-ZWKOTPCHSA-N 1 0 311.429 3.231 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2cccnc2)CC1 ZINC000179776210 199079344 /nfs/dbraw/zinc/07/93/44/199079344.db2.gz NSDHQYLBEFMHCI-MRXNPFEDSA-N 1 0 310.445 3.397 10 0 DGAERO Cc1scc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1C ZINC000179917068 199094796 /nfs/dbraw/zinc/09/47/96/199094796.db2.gz GHVOBSIXOLLCKE-HNNXBMFYSA-N 1 0 306.475 3.455 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)on2)cn1 ZINC000184973461 199789945 /nfs/dbraw/zinc/78/99/45/199789945.db2.gz SAMRHHSQLHKSDU-QGZVFWFLSA-N 1 0 322.412 3.282 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCOCC1 ZINC000179871151 199090196 /nfs/dbraw/zinc/09/01/96/199090196.db2.gz BPLVLXXISWQVHY-WBMJQRKESA-N 1 0 322.836 3.238 10 0 DGAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CC2 ZINC000180085493 199115566 /nfs/dbraw/zinc/11/55/66/199115566.db2.gz QQAARYGWJRZFER-RDJZCZTQSA-N 1 0 316.836 3.296 10 0 DGAERO CN(C)C1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCOCC1 ZINC000180111554 199118548 /nfs/dbraw/zinc/11/85/48/199118548.db2.gz VLCVRRJGQRALCB-QGZVFWFLSA-N 1 0 322.880 3.492 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccsc2)[C@@H]1c1ccccc1 ZINC000180129904 199121695 /nfs/dbraw/zinc/12/16/95/199121695.db2.gz UDGJYHXIKYDYRF-AEFFLSMTSA-N 1 0 314.454 3.242 10 0 DGAERO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccs1 ZINC000180136724 199122411 /nfs/dbraw/zinc/12/24/11/199122411.db2.gz PWMFRSWPUMKXPF-YSVLISHTSA-N 1 0 314.454 3.413 10 0 DGAERO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)o1 ZINC000180178484 199126568 /nfs/dbraw/zinc/12/65/68/199126568.db2.gz IQCWGUJFBOBYNC-BBRMVZONSA-N 1 0 316.426 3.177 10 0 DGAERO Cc1scc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1C ZINC000180179852 199127207 /nfs/dbraw/zinc/12/72/07/199127207.db2.gz BSOYEOZRNQIAHF-UHFFFAOYSA-N 1 0 320.433 3.496 10 0 DGAERO CCCNC(=O)C1CC[NH+](Cc2cnc(CC(C)C)s2)CC1 ZINC000179924291 432075132 /nfs/dbraw/zinc/07/51/32/432075132.db2.gz RAHALXVICMLLSA-UHFFFAOYSA-N 1 0 323.506 3.080 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237288208 202217761 /nfs/dbraw/zinc/21/77/61/202217761.db2.gz OHNQBZVFXWLHQU-STQMWFEESA-N 1 0 322.424 3.037 10 0 DGAERO CCOc1ccc([C@@H](C)[NH2+]CCc2nc(C)no2)cc1OCC ZINC000180483681 199165591 /nfs/dbraw/zinc/16/55/91/199165591.db2.gz ZNIHJWQEYSBKDA-GFCCVEGCSA-N 1 0 319.405 3.069 10 0 DGAERO CCCc1csc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000180670011 199194655 /nfs/dbraw/zinc/19/46/55/199194655.db2.gz FNVFUHKLJIXOPY-CQSZACIVSA-N 1 0 322.478 3.188 10 0 DGAERO COc1cccc([C@@H]([NH2+][C@@H](C)CO)c2ccccc2Cl)c1 ZINC000180651871 199191858 /nfs/dbraw/zinc/19/18/58/199191858.db2.gz NVRLJWZFQKMJBI-YVEFUNNKSA-N 1 0 305.805 3.408 10 0 DGAERO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccco2)N2CCOCC2)s1 ZINC000180658869 199192239 /nfs/dbraw/zinc/19/22/39/199192239.db2.gz GYCWKIQKDWWMGX-LSDHHAIUSA-N 1 0 320.458 3.374 10 0 DGAERO COc1cc(C[NH+]2CCC(OC3CCCC3)CC2)ccc1O ZINC000180073841 432077211 /nfs/dbraw/zinc/07/72/11/432077211.db2.gz QMPAPDAIEBRUDO-UHFFFAOYSA-N 1 0 305.418 3.324 10 0 DGAERO Brc1ccc([C@@H]([NH2+]CCn2cccn2)C2CC2)cc1 ZINC000180160911 432079881 /nfs/dbraw/zinc/07/98/81/432079881.db2.gz SPYAZSRBRMUAAZ-HNNXBMFYSA-N 1 0 320.234 3.387 10 0 DGAERO CC[C@H](CSC)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400769866 293866125 /nfs/dbraw/zinc/86/61/25/293866125.db2.gz ZWYYWJKHESXJKR-MGPQQGTHSA-N 1 0 316.511 3.363 10 0 DGAERO C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1COc2ccccc21 ZINC000190208534 299286687 /nfs/dbraw/zinc/28/66/87/299286687.db2.gz OCLAHHFLTYBXMA-YOEHRIQHSA-N 1 0 317.429 3.074 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cncc(-c2ccccc2)c1 ZINC000134586385 432080843 /nfs/dbraw/zinc/08/08/43/432080843.db2.gz YWDMORODWWEEQY-MRXNPFEDSA-N 1 0 323.440 3.353 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@@H]1c1ccccc1 ZINC000180186792 432080928 /nfs/dbraw/zinc/08/09/28/432080928.db2.gz DPDRYPNVKQUYMS-WFASDCNBSA-N 1 0 304.777 3.108 10 0 DGAERO O=C1C[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CN1C1CC1 ZINC000180186401 432081055 /nfs/dbraw/zinc/08/10/55/432081055.db2.gz GHRSWZNITCMMJP-PBHICJAKSA-N 1 0 304.821 3.144 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C12CCOCC2 ZINC000186199183 199927293 /nfs/dbraw/zinc/92/72/93/199927293.db2.gz UQFWQZRHMBLWGW-IRXDYDNUSA-N 1 0 323.864 3.446 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCc2cccc(C)c2)C12CCOCC2 ZINC000186302349 199940682 /nfs/dbraw/zinc/94/06/82/199940682.db2.gz GCQNZKQXGWCWEW-ROUUACIJSA-N 1 0 303.446 3.101 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)Oc2ccccc2)C12CCOCC2 ZINC000186406952 199953776 /nfs/dbraw/zinc/95/37/76/199953776.db2.gz GQPZOFBJCBDFLK-KBAYOESNSA-N 1 0 319.445 3.018 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@@H]1N1CCOCC1 ZINC000180226990 432082262 /nfs/dbraw/zinc/08/22/62/432082262.db2.gz XBNXXBJDPKWLKD-PBHICJAKSA-N 1 0 316.470 3.054 10 0 DGAERO FC(F)(F)COc1ccc(CC[NH2+][C@H]2CCCSC2)cn1 ZINC000186750411 200002803 /nfs/dbraw/zinc/00/28/03/200002803.db2.gz XOFKKWRWCVMLJQ-LBPRGKRZSA-N 1 0 320.380 3.050 10 0 DGAERO CC1CC[NH+](CCSc2ccc(C(F)(F)F)nn2)CC1 ZINC000186820744 200017328 /nfs/dbraw/zinc/01/73/28/200017328.db2.gz ONXCLJHDZJGKCC-UHFFFAOYSA-N 1 0 305.369 3.319 10 0 DGAERO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1F ZINC000186830578 200018266 /nfs/dbraw/zinc/01/82/66/200018266.db2.gz BWOFJENXPNYWSY-ZMSDIMECSA-N 1 0 322.468 3.427 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000186756079 200005466 /nfs/dbraw/zinc/00/54/66/200005466.db2.gz QCTSQGPWLHBWMO-RHSMWYFYSA-N 1 0 318.436 3.142 10 0 DGAERO CN(CC[N@H+](C)C1CC1)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000186759109 200005494 /nfs/dbraw/zinc/00/54/94/200005494.db2.gz RBASSKUYNOLRJQ-UHFFFAOYSA-N 1 0 306.793 3.252 10 0 DGAERO Cc1oc(-c2ccccc2)c(C(=O)NC[C@@H]2CCC[N@H+]2C)c1C ZINC000186920169 200031901 /nfs/dbraw/zinc/03/19/01/200031901.db2.gz STLUNTCXQURKPY-INIZCTEOSA-N 1 0 312.413 3.387 10 0 DGAERO CC(F)(F)c1cccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000187028900 200049743 /nfs/dbraw/zinc/04/97/43/200049743.db2.gz FLGAXSJQVICAAM-OAHLLOKOSA-N 1 0 321.371 3.276 10 0 DGAERO COCCN1CC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@@H]1C ZINC000187210591 200077771 /nfs/dbraw/zinc/07/77/71/200077771.db2.gz XZAJSDOYDFBTIC-DFQSSKMNSA-N 1 0 316.489 3.149 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000170867661 432084684 /nfs/dbraw/zinc/08/46/84/432084684.db2.gz IEJHDDQOZFSVHD-ZDUSSCGKSA-N 1 0 315.244 3.089 10 0 DGAERO CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170862908 432084547 /nfs/dbraw/zinc/08/45/47/432084547.db2.gz RQGCGEGSEKYAJX-WMLDXEAASA-N 1 0 303.450 3.217 10 0 DGAERO CC(C)Oc1ccc(NC(=O)c2coc(C[NH3+])c2)cc1Cl ZINC000187355828 200100956 /nfs/dbraw/zinc/10/09/56/200100956.db2.gz WNUCWFUTSHHHKR-UHFFFAOYSA-N 1 0 308.765 3.431 10 0 DGAERO C[C@H]1CCN(C(=O)c2coc(C[NH3+])c2)[C@H]1c1cccc(F)c1 ZINC000187928968 200178241 /nfs/dbraw/zinc/17/82/41/200178241.db2.gz BXFKSIWQXKKDOE-MEDUHNTESA-N 1 0 302.349 3.101 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2csc(-c3ccccn3)n2)C1 ZINC000187932789 200178273 /nfs/dbraw/zinc/17/82/73/200178273.db2.gz AGDCTDZTAAMPRT-CXAGYDPISA-N 1 0 317.458 3.188 10 0 DGAERO C[C@@H]1CCN(C(=O)c2coc(C[NH3+])c2)[C@@H]1c1cccc(F)c1 ZINC000187928886 200178516 /nfs/dbraw/zinc/17/85/16/200178516.db2.gz BXFKSIWQXKKDOE-BZNIZROVSA-N 1 0 302.349 3.101 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000237519258 202268312 /nfs/dbraw/zinc/26/83/12/202268312.db2.gz MWUZZROBWGDTGC-UHIISALHSA-N 1 0 314.351 3.066 10 0 DGAERO C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000237528906 202272559 /nfs/dbraw/zinc/27/25/59/202272559.db2.gz BWORAHOAASWTHS-LLVKDONJSA-N 1 0 314.351 3.272 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(F)c(Cl)cc1F ZINC000134803256 432085676 /nfs/dbraw/zinc/08/56/76/432085676.db2.gz MVMWKJGXOCKHEG-JTQLQIEISA-N 1 0 316.779 3.175 10 0 DGAERO CC[N@@H+]1CCC[C@H](Nc2cc(-c3nc(C(C)C)no3)ccn2)C1 ZINC000180422124 432085999 /nfs/dbraw/zinc/08/59/99/432085999.db2.gz ZCYKAXWTPBVGOA-AWEZNQCLSA-N 1 0 315.421 3.151 10 0 DGAERO [NH3+]CC1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000237812017 202361910 /nfs/dbraw/zinc/36/19/10/202361910.db2.gz CZCHDBFSZUDZEB-UHFFFAOYSA-N 1 0 308.425 3.088 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000237869696 202374549 /nfs/dbraw/zinc/37/45/49/202374549.db2.gz GCWZAAMSWSXYBS-AEFFLSMTSA-N 1 0 324.424 3.009 10 0 DGAERO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)CCCCC2 ZINC000089107153 283504342 /nfs/dbraw/zinc/50/43/42/283504342.db2.gz RDNUWZYSMZPYDQ-ZIAGYGMSSA-N 1 0 306.475 3.264 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000237892567 202382425 /nfs/dbraw/zinc/38/24/25/202382425.db2.gz FPGWESLVGCWVJO-BBRMVZONSA-N 1 0 320.864 3.395 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CC2CCCC2)cc1OC ZINC000188631501 200278189 /nfs/dbraw/zinc/27/81/89/200278189.db2.gz MOSVLFCFBPRKOK-BBRMVZONSA-N 1 0 307.434 3.296 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000188952260 200326894 /nfs/dbraw/zinc/32/68/94/200326894.db2.gz WKAKSYPIMLSOEV-ZIAGYGMSSA-N 1 0 317.351 3.015 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccsc1 ZINC000189041945 200339973 /nfs/dbraw/zinc/33/99/73/200339973.db2.gz CXWOTOVYDXROHJ-MLGOLLRUSA-N 1 0 318.417 3.339 10 0 DGAERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccccc1Cc1ccccc1 ZINC000238144906 202445449 /nfs/dbraw/zinc/44/54/49/202445449.db2.gz GQHSNCBDNRJLCG-SFHVURJKSA-N 1 0 322.452 3.397 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCc3ccccc3C2)o1 ZINC000189190091 200362398 /nfs/dbraw/zinc/36/23/98/200362398.db2.gz KEYICABEOSYAJP-OAHLLOKOSA-N 1 0 312.413 3.214 10 0 DGAERO CCc1ccc2c(C[N@@H+]3CC[C@@H](C)[C@H](OC)C3)cc(=O)oc2c1 ZINC000189275493 200373930 /nfs/dbraw/zinc/37/39/30/200373930.db2.gz MSIIWFRUWYMMTR-FZKQIMNGSA-N 1 0 315.413 3.212 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180505907 432088573 /nfs/dbraw/zinc/08/85/73/432088573.db2.gz DYJYSASMLLYEMT-AAEUAGOBSA-N 1 0 319.478 3.140 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000134916562 432089402 /nfs/dbraw/zinc/08/94/02/432089402.db2.gz JVHOYFMVYYBKEM-UONOGXRCSA-N 1 0 322.497 3.244 10 0 DGAERO COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CC[N@H+]2C)cc1 ZINC000005966880 181302117 /nfs/dbraw/zinc/30/21/17/181302117.db2.gz DLDZDBDYUZLISX-QGZVFWFLSA-N 1 0 313.397 3.181 10 0 DGAERO CC(C)Oc1ccc(C(=O)OC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000005963107 181301713 /nfs/dbraw/zinc/30/17/13/181301713.db2.gz WDOAGDGQYMRCHI-OAHLLOKOSA-N 1 0 305.418 3.363 10 0 DGAERO c1cc([C@H]2CCC[N@H+]2CCC2CCOCC2)cc2c1OCO2 ZINC000432822734 238137664 /nfs/dbraw/zinc/13/76/64/238137664.db2.gz GRAORZLVAIRSHP-MRXNPFEDSA-N 1 0 303.402 3.369 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180603005 432092023 /nfs/dbraw/zinc/09/20/23/432092023.db2.gz ZZUNJNSXFWBOEX-JQWIXIFHSA-N 1 0 319.478 3.006 10 0 DGAERO C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1n1ccnc1 ZINC000246081428 432092282 /nfs/dbraw/zinc/09/22/82/432092282.db2.gz HWWRGSNFNQNUMK-DNVCBOLYSA-N 1 0 321.428 3.356 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1F ZINC000180636721 432092572 /nfs/dbraw/zinc/09/25/72/432092572.db2.gz FDMPQOIOUSMPHB-KBXCAEBGSA-N 1 0 316.424 3.269 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(C)(C)c1ccccc1)CC2 ZINC000180613384 432092813 /nfs/dbraw/zinc/09/28/13/432092813.db2.gz IWHVBITVEKDTGB-GDBMZVCRSA-N 1 0 312.461 3.111 10 0 DGAERO CN1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000246087619 432093033 /nfs/dbraw/zinc/09/30/33/432093033.db2.gz NKOQKJKGYKXXGC-NHYWBVRUSA-N 1 0 309.251 3.120 10 0 DGAERO c1nc(C2CC[NH+](CC[C@H]3CCCCO3)CC2)n2c1CCCC2 ZINC000434740559 238238337 /nfs/dbraw/zinc/23/83/37/238238337.db2.gz WUMWFWLJDLITRN-GOSISDBHSA-N 1 0 317.477 3.358 10 0 DGAERO CCC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccccn1 ZINC000180640878 432093234 /nfs/dbraw/zinc/09/32/34/432093234.db2.gz LQSHCOLYQUXGRA-GOEBONIOSA-N 1 0 313.449 3.242 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)N2CCC23CCC3)[NH+]2CCCC2)o1 ZINC000435508086 238313811 /nfs/dbraw/zinc/31/38/11/238313811.db2.gz RLYBFFSHUNVZDS-OAHLLOKOSA-N 1 0 317.433 3.063 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC23CCC3)C1 ZINC000435610061 238326546 /nfs/dbraw/zinc/32/65/46/238326546.db2.gz FUZSQIORKMYEIK-HZPDHXFCSA-N 1 0 307.482 3.083 10 0 DGAERO CCc1cc(C)c(C(=O)NCc2ccc(N(CC)CC)nc2)o1 ZINC000135005871 432094474 /nfs/dbraw/zinc/09/44/74/432094474.db2.gz CNORDVOIVAOJBZ-UHFFFAOYSA-N 1 0 315.417 3.322 10 0 DGAERO CCCc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246098257 432095294 /nfs/dbraw/zinc/09/52/94/432095294.db2.gz JBKXIOIMYKKVDU-ZBFHGGJFSA-N 1 0 301.434 3.340 10 0 DGAERO Cc1nc(NC(=O)CC[C@H](C)[NH3+])sc1Cc1ccc(C)cc1 ZINC000193207207 201007342 /nfs/dbraw/zinc/00/73/42/201007342.db2.gz UTZBRWUWCQWFIB-LBPRGKRZSA-N 1 0 317.458 3.417 10 0 DGAERO CCOc1cccc2cc([C@H](C)NC(=O)CC[C@H](C)[NH3+])oc21 ZINC000193181585 201003525 /nfs/dbraw/zinc/00/35/25/201003525.db2.gz BUPQNXFCLKGMOR-RYUDHWBXSA-N 1 0 304.390 3.136 10 0 DGAERO C[C@@H](NC(=O)CC[C@H](C)[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000193177544 201003883 /nfs/dbraw/zinc/00/38/83/201003883.db2.gz ZJRJONGCHHVHPW-JGVFFNPUSA-N 1 0 307.196 3.437 10 0 DGAERO COc1ccccc1[C@H](NC(=O)CC[C@H](C)[NH3+])c1ccccc1 ZINC000193246840 201013439 /nfs/dbraw/zinc/01/34/39/201013439.db2.gz XEBZCSDRXHEOJU-IFXJQAMLSA-N 1 0 312.413 3.028 10 0 DGAERO COc1ccccc1[C@H](NC(=O)CC[C@@H](C)[NH3+])c1ccccc1 ZINC000193246852 201013843 /nfs/dbraw/zinc/01/38/43/201013843.db2.gz XEBZCSDRXHEOJU-AUUYWEPGSA-N 1 0 312.413 3.028 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000193270158 201016670 /nfs/dbraw/zinc/01/66/70/201016670.db2.gz XGNQFLCSKSORGJ-APWZRJJASA-N 1 0 310.441 3.257 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)o1 ZINC000193268463 201016744 /nfs/dbraw/zinc/01/67/44/201016744.db2.gz YDZQXKZLTUNMAP-AWEZNQCLSA-N 1 0 321.446 3.094 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000193298019 201023588 /nfs/dbraw/zinc/02/35/88/201023588.db2.gz KHEPWYTWQQTICK-LLVKDONJSA-N 1 0 303.337 3.079 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000193540175 201070972 /nfs/dbraw/zinc/07/09/72/201070972.db2.gz VYEOVSOFPDODJY-JOYOIKCWSA-N 1 0 318.364 3.169 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000193684418 201103618 /nfs/dbraw/zinc/10/36/18/201103618.db2.gz SPQVOHPQSMLSLR-YPMHNXCESA-N 1 0 314.882 3.133 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000180691490 432097699 /nfs/dbraw/zinc/09/76/99/432097699.db2.gz FSNJUVUBGIATBT-AWEZNQCLSA-N 1 0 307.438 3.198 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(Cl)c(OC)c1 ZINC000194417196 201222808 /nfs/dbraw/zinc/22/28/08/201222808.db2.gz JSYLERADXBOLEK-NSHDSACASA-N 1 0 313.829 3.200 10 0 DGAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000066391673 283690829 /nfs/dbraw/zinc/69/08/29/283690829.db2.gz CVMPJHSZWDDFBP-GHMZBOCLSA-N 1 0 300.805 3.290 10 0 DGAERO CCc1cc(C)c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)o1 ZINC000135090484 432098267 /nfs/dbraw/zinc/09/82/67/432098267.db2.gz CIUGGRXBHDGHAW-INIZCTEOSA-N 1 0 314.429 3.053 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1csc(C2CC2)n1)c1ccccc1 ZINC000194794361 201289403 /nfs/dbraw/zinc/28/94/03/201289403.db2.gz ORLMGQHXWNYPCL-CQSZACIVSA-N 1 0 315.442 3.053 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000194913530 201309681 /nfs/dbraw/zinc/30/96/81/201309681.db2.gz AQXYTRSWSJBVJL-GDBMZVCRSA-N 1 0 312.413 3.330 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cncc(C)c1 ZINC000189860807 432099277 /nfs/dbraw/zinc/09/92/77/432099277.db2.gz AYSKHMXXIFDJKB-INIZCTEOSA-N 1 0 312.413 3.201 10 0 DGAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCc1ccc(F)c(F)c1 ZINC000246125395 432099428 /nfs/dbraw/zinc/09/94/28/432099428.db2.gz BQCHFNUBKXNVDI-SUMWQHHRSA-N 1 0 324.415 3.086 10 0 DGAERO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000195252368 201365874 /nfs/dbraw/zinc/36/58/74/201365874.db2.gz NGVOBISLXHQZDT-CVEARBPZSA-N 1 0 305.491 3.314 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1Cl ZINC000195441783 201391089 /nfs/dbraw/zinc/39/10/89/201391089.db2.gz KREOFWQMMGKNNZ-HNNXBMFYSA-N 1 0 316.836 3.197 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000171067673 432100010 /nfs/dbraw/zinc/10/00/10/432100010.db2.gz PQGWLEZAQOTBRL-NSHDSACASA-N 1 0 315.389 3.169 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C(F)(F)F)cs1 ZINC000180844787 432102249 /nfs/dbraw/zinc/10/22/49/432102249.db2.gz BYRGOYNKMOPQAM-WDEREUQCSA-N 1 0 319.396 3.221 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000189900325 432102304 /nfs/dbraw/zinc/10/23/04/432102304.db2.gz KLWRKRVMYMASBU-AWEZNQCLSA-N 1 0 309.429 3.178 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1ccccc1F)CC2 ZINC000180856089 432102535 /nfs/dbraw/zinc/10/25/35/432102535.db2.gz FAUSWQNQPRGQDR-SWLSCSKDSA-N 1 0 302.397 3.035 10 0 DGAERO CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246165253 432102687 /nfs/dbraw/zinc/10/26/87/432102687.db2.gz KXIBGWRZNXVHPE-NCOADZHNSA-N 1 0 309.498 3.469 10 0 DGAERO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000163408321 296064600 /nfs/dbraw/zinc/06/46/00/296064600.db2.gz QEEVZQYQANEFHM-QZTJIDSGSA-N 1 0 304.478 3.290 10 0 DGAERO COc1cccc(F)c1[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000074037009 283788041 /nfs/dbraw/zinc/78/80/41/283788041.db2.gz DMTYIVQCXZEHAL-CYBMUJFWSA-N 1 0 322.424 3.132 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)CCCC(=O)C(C)(C)C)CC1 ZINC000448826905 239901505 /nfs/dbraw/zinc/90/15/05/239901505.db2.gz WGSKMXRDXBJZEJ-UHFFFAOYSA-N 1 0 324.509 3.352 10 0 DGAERO C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000246177595 432104049 /nfs/dbraw/zinc/10/40/49/432104049.db2.gz ZBQSXCOOHNNDID-HEHGZKQESA-N 1 0 324.852 3.017 10 0 DGAERO COCC1CCC([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC1 ZINC000449073946 240003568 /nfs/dbraw/zinc/00/35/68/240003568.db2.gz JVCCMIHUXMSYLE-UHFFFAOYSA-N 1 0 313.445 3.226 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000449099100 240016010 /nfs/dbraw/zinc/01/60/10/240016010.db2.gz SKANUGCWNZRNAJ-KRWDZBQOSA-N 1 0 319.401 3.006 10 0 DGAERO CCOC(=O)c1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)[nH]c1C ZINC000449189094 240058959 /nfs/dbraw/zinc/05/89/59/240058959.db2.gz OTYFZZWVEFQDOO-LLVKDONJSA-N 1 0 300.349 3.167 10 0 DGAERO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]Cc1ccn(C)n1 ZINC000449204317 240066731 /nfs/dbraw/zinc/06/67/31/240066731.db2.gz JPXPUUUTRQVOGW-JTQLQIEISA-N 1 0 314.216 3.284 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CSC[C@@H]2C)sc1Br ZINC000449403204 240179902 /nfs/dbraw/zinc/17/99/02/240179902.db2.gz VHEBXKCRILRCNP-XPUUQOCRSA-N 1 0 307.282 3.055 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c(OC)c1 ZINC000449467958 240224779 /nfs/dbraw/zinc/22/47/79/240224779.db2.gz NQXUHWWQVCGRNX-RDBSUJKOSA-N 1 0 307.434 3.422 10 0 DGAERO CN(C)C(=O)COc1ccccc1C[NH2+]CC1CCCCCC1 ZINC000449486726 240237345 /nfs/dbraw/zinc/23/73/45/240237345.db2.gz UXTMNAYOFNYCAO-UHFFFAOYSA-N 1 0 318.461 3.214 10 0 DGAERO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000249100771 296074275 /nfs/dbraw/zinc/07/42/75/296074275.db2.gz JRGYFNBTPRKJRU-UHOFOFEASA-N 1 0 318.848 3.187 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000075873546 283828385 /nfs/dbraw/zinc/82/83/85/283828385.db2.gz SMLWOQMXKWJMKP-UHFFFAOYSA-N 1 0 306.406 3.207 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCOCC34CCCCC4)cc2)cn1 ZINC000449624515 240325838 /nfs/dbraw/zinc/32/58/38/240325838.db2.gz OSKLAXSGQNFTLA-UHFFFAOYSA-N 1 0 311.429 3.407 10 0 DGAERO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccccc2CCc2ccccc2)C1 ZINC000449712318 240380342 /nfs/dbraw/zinc/38/03/42/240380342.db2.gz REXHJXMDVGDIAZ-HKUYNNGSSA-N 1 0 322.452 3.329 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449719801 240382547 /nfs/dbraw/zinc/38/25/47/240382547.db2.gz HYQOEJZKFOBJFL-UXLLHSPISA-N 1 0 318.461 3.211 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@]2(CC[NH2+]C2)C1 ZINC000091303091 193035073 /nfs/dbraw/zinc/03/50/73/193035073.db2.gz SZRJUSMARDPBID-YJBOKZPZSA-N 1 0 302.418 3.001 10 0 DGAERO CCc1cnc(CC[NH2+][C@H](C)c2nc3ccccc3n2C)s1 ZINC000091349171 193045264 /nfs/dbraw/zinc/04/52/64/193045264.db2.gz WEHIGJLCZOXAOR-GFCCVEGCSA-N 1 0 314.458 3.486 10 0 DGAERO c1ccc([C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000091374854 193048020 /nfs/dbraw/zinc/04/80/20/193048020.db2.gz ASFQAXLVHVXSMK-HKUYNNGSSA-N 1 0 308.429 3.186 10 0 DGAERO c1ccc([C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000091374852 193048073 /nfs/dbraw/zinc/04/80/73/193048073.db2.gz ASFQAXLVHVXSMK-MJGOQNOKSA-N 1 0 308.429 3.186 10 0 DGAERO CCCOc1ccc(CN2CCC([NH+](C)C)CC2)cc1OCC ZINC000091670551 193089372 /nfs/dbraw/zinc/08/93/72/193089372.db2.gz WXZUTMKPOHRJQU-UHFFFAOYSA-N 1 0 320.477 3.400 10 0 DGAERO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000091629461 193081402 /nfs/dbraw/zinc/08/14/02/193081402.db2.gz UPCJVKUJKCTMAH-LBPRGKRZSA-N 1 0 318.371 3.271 10 0 DGAERO CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246202237 432107271 /nfs/dbraw/zinc/10/72/71/432107271.db2.gz FCQDIJGLENAHCU-RCCFBDPRSA-N 1 0 302.462 3.422 10 0 DGAERO Cc1n[nH]c2cc(NC(=O)c3cccc(C[NH+](C)C)c3)ccc12 ZINC000091825156 193113349 /nfs/dbraw/zinc/11/33/49/193113349.db2.gz UJQYAUNELVYAOT-UHFFFAOYSA-N 1 0 308.385 3.185 10 0 DGAERO Cc1noc([C@H]2CCC[N@@H+](Cc3cnc(CC(C)C)s3)C2)n1 ZINC000091833478 193114215 /nfs/dbraw/zinc/11/42/15/193114215.db2.gz KNFLVOLTAVSVNW-ZDUSSCGKSA-N 1 0 320.462 3.413 10 0 DGAERO C(=C\c1ccccc1)\CC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000450709712 240829165 /nfs/dbraw/zinc/82/91/65/240829165.db2.gz ADOBPAWIKHZSOU-YWEYNIOJSA-N 1 0 301.430 3.219 10 0 DGAERO CCc1ccc(O)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000091991501 193138231 /nfs/dbraw/zinc/13/82/31/193138231.db2.gz IGFOPABGXONPHR-CVEARBPZSA-N 1 0 316.445 3.042 10 0 DGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306354 283878002 /nfs/dbraw/zinc/87/80/02/283878002.db2.gz KCJIMFUFNLCDNS-STQMWFEESA-N 1 0 322.449 3.048 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C)c2ccccc21 ZINC000079495043 283880925 /nfs/dbraw/zinc/88/09/25/283880925.db2.gz IZLJJKAPFUHDSN-GJZGRUSLSA-N 1 0 303.450 3.296 10 0 DGAERO C[N@@H+](Cc1ccccn1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000451367479 241098227 /nfs/dbraw/zinc/09/82/27/241098227.db2.gz LKCIJFOHZNBFRZ-HNNXBMFYSA-N 1 0 324.346 3.136 10 0 DGAERO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)C(C)C ZINC000451602698 241187377 /nfs/dbraw/zinc/18/73/77/241187377.db2.gz VQWNJVQKIBGEAD-ROUUACIJSA-N 1 0 307.482 3.377 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451913064 241275079 /nfs/dbraw/zinc/27/50/79/241275079.db2.gz PYEIQOPIEIVJRR-UKRRQHHQSA-N 1 0 320.260 3.198 10 0 DGAERO OCCC1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000189996822 432109257 /nfs/dbraw/zinc/10/92/57/432109257.db2.gz IJGIRPBUJUUCMG-UHFFFAOYSA-N 1 0 305.752 3.194 10 0 DGAERO CCSCC[C@@H](C)[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000135293225 432110048 /nfs/dbraw/zinc/11/00/48/432110048.db2.gz WFPLTGHNVVDXDK-GFCCVEGCSA-N 1 0 311.447 3.088 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCc2ccc(C)cc2)C1 ZINC000081335225 283914782 /nfs/dbraw/zinc/91/47/82/283914782.db2.gz HILXAIGHJIPUSF-SFHVURJKSA-N 1 0 302.462 3.118 10 0 DGAERO COCc1cccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC)c1 ZINC000246228996 432110256 /nfs/dbraw/zinc/11/02/56/432110256.db2.gz QZNHZKUCGDIESZ-KURKYZTESA-N 1 0 317.429 3.139 10 0 DGAERO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000189990054 432110283 /nfs/dbraw/zinc/11/02/83/432110283.db2.gz NVYATIMXCQBEEF-LJQANCHMSA-N 1 0 310.397 3.276 10 0 DGAERO CCOc1c(F)cccc1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000081551915 283919990 /nfs/dbraw/zinc/91/99/90/283919990.db2.gz RGAHHGKBILTXCE-UHFFFAOYSA-N 1 0 322.424 3.171 10 0 DGAERO COc1cccc(C(C)(C)C[NH2+][C@@H](C)C2(OC)CCOCC2)c1 ZINC000453164700 241653588 /nfs/dbraw/zinc/65/35/88/241653588.db2.gz FJMGUXUURRNIHW-HNNXBMFYSA-N 1 0 321.461 3.147 10 0 DGAERO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCCC12CCC2 ZINC000445116163 283930176 /nfs/dbraw/zinc/93/01/76/283930176.db2.gz HACUKKUTNLEHGK-UHFFFAOYSA-N 1 0 305.466 3.122 10 0 DGAERO Cn1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000135282813 432110802 /nfs/dbraw/zinc/11/08/02/432110802.db2.gz UKCHVXUCTUKBIE-IHWFROFDSA-N 1 0 309.457 3.310 10 0 DGAERO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732176 283960924 /nfs/dbraw/zinc/96/09/24/283960924.db2.gz QBZRCVOZTDTVAX-RBUKOAKNSA-N 1 0 324.472 3.446 10 0 DGAERO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732179 283960770 /nfs/dbraw/zinc/96/07/70/283960770.db2.gz QBZRCVOZTDTVAX-MOPGFXCFSA-N 1 0 324.472 3.446 10 0 DGAERO C[C@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1F ZINC000171208215 432113385 /nfs/dbraw/zinc/11/33/85/432113385.db2.gz BYJUAAJOOZFMPW-CQSZACIVSA-N 1 0 304.409 3.016 10 0 DGAERO Cc1cc(Cl)c(NC(=O)NCCNc2cc[nH+]cc2)cc1C ZINC000455729712 242272606 /nfs/dbraw/zinc/27/26/06/242272606.db2.gz FYUQJPYNVDTDCB-UHFFFAOYSA-N 1 0 318.808 3.007 10 0 DGAERO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1ccccc1Cl ZINC000261966748 296103709 /nfs/dbraw/zinc/10/37/09/296103709.db2.gz BPOAOZGMGQDATE-IIYDPXPESA-N 1 0 306.837 3.297 10 0 DGAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000092098287 193157081 /nfs/dbraw/zinc/15/70/81/193157081.db2.gz RKFPQDJLCFBPMB-INIZCTEOSA-N 1 0 316.376 3.105 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(F)cc1N(C)C ZINC000246915719 299379469 /nfs/dbraw/zinc/37/94/69/299379469.db2.gz FVQDPIVQTJXKSC-UOQGXUADSA-N 1 0 306.425 3.500 10 0 DGAERO CC[C@@H](C(N)=O)[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000091100365 283997841 /nfs/dbraw/zinc/99/78/41/283997841.db2.gz IHALXDONPSLPGC-AWEZNQCLSA-N 1 0 314.351 3.149 10 0 DGAERO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)s1 ZINC000093664890 284013485 /nfs/dbraw/zinc/01/34/85/284013485.db2.gz CDONPNGZDJDYFO-OAHLLOKOSA-N 1 0 322.518 3.200 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093693129 284013837 /nfs/dbraw/zinc/01/38/37/284013837.db2.gz MRYIRKVLFKBIOV-QGZVFWFLSA-N 1 0 304.478 3.476 10 0 DGAERO O=C(Nc1nccs1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000093926177 284014758 /nfs/dbraw/zinc/01/47/58/284014758.db2.gz LPKAGCDJZMBHPQ-UHFFFAOYSA-N 1 0 316.430 3.425 10 0 DGAERO CSc1ccsc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246291370 432116336 /nfs/dbraw/zinc/11/63/36/432116336.db2.gz NHBRKNOVFHOKPC-NWDGAFQWSA-N 1 0 310.488 3.026 10 0 DGAERO CCC(CC)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103296741 284027972 /nfs/dbraw/zinc/02/79/72/284027972.db2.gz GUXDHENMEBWHHQ-INIZCTEOSA-N 1 0 309.498 3.473 10 0 DGAERO COCCOc1ccc(C[NH+]2CCC(OCC(C)C)CC2)cc1 ZINC000092223358 193176041 /nfs/dbraw/zinc/17/60/41/193176041.db2.gz FBRUAJGTZAAORZ-UHFFFAOYSA-N 1 0 321.461 3.349 10 0 DGAERO CCCc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000092226421 193176177 /nfs/dbraw/zinc/17/61/77/193176177.db2.gz JBKXIOIMYKKVDU-HOCLYGCPSA-N 1 0 301.434 3.340 10 0 DGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000105080560 284038325 /nfs/dbraw/zinc/03/83/25/284038325.db2.gz NDDIFLKVJDUSLE-CZUORRHYSA-N 1 0 321.852 3.281 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NCC2=CCCCC2)CC1 ZINC000458895774 243192756 /nfs/dbraw/zinc/19/27/56/243192756.db2.gz BJCADSVMUCAUOH-UHFFFAOYSA-N 1 0 307.482 3.250 10 0 DGAERO CCn1nncc1C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000459398697 243358635 /nfs/dbraw/zinc/35/86/35/243358635.db2.gz FRZCNAKQTUSVDP-INIZCTEOSA-N 1 0 312.442 3.433 10 0 DGAERO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@]1(C)CCCOC1 ZINC000459464396 243381073 /nfs/dbraw/zinc/38/10/73/243381073.db2.gz OSOVZBUEUYWEHM-INIZCTEOSA-N 1 0 305.447 3.240 10 0 DGAERO CO[C@H]1CC[C@@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459490971 243388997 /nfs/dbraw/zinc/38/89/97/243388997.db2.gz CMIIWXVINPUYJS-OLZOCXBDSA-N 1 0 305.447 3.239 10 0 DGAERO CC(C)[C@H]([NH2+]Cc1nnc(C2CC2)s1)C1(CO)CCCC1 ZINC000459522507 243399549 /nfs/dbraw/zinc/39/95/49/243399549.db2.gz FBLBFVGSLARKJW-AWEZNQCLSA-N 1 0 309.479 3.082 10 0 DGAERO CCOc1cccc(CC[NH2+][C@@H]2C[C@H](OCC)[C@@H]2SC)c1 ZINC000459440622 243369876 /nfs/dbraw/zinc/36/98/76/243369876.db2.gz MMYMNQVQNIKDPQ-IXDOHACOSA-N 1 0 309.475 3.126 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@@H]2C(C)C)n1 ZINC000468976716 244076724 /nfs/dbraw/zinc/07/67/24/244076724.db2.gz MWVCQEKRDRJPCB-CHWSQXEVSA-N 1 0 310.463 3.277 10 0 DGAERO CCCCc1oc2ccccc2c1C[N@@H+]1CCNC(=O)CC1 ZINC000093101536 193202728 /nfs/dbraw/zinc/20/27/28/193202728.db2.gz GBTRUQGQKWKBMD-UHFFFAOYSA-N 1 0 300.402 3.097 10 0 DGAERO CCc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC000093092633 193202960 /nfs/dbraw/zinc/20/29/60/193202960.db2.gz SHIXWOADFFAWRX-WFASDCNBSA-N 1 0 305.397 3.089 10 0 DGAERO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC1(C)C ZINC000471589922 244220149 /nfs/dbraw/zinc/22/01/49/244220149.db2.gz IRYHCHIOMBGTJX-XJKSGUPXSA-N 1 0 314.429 3.230 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)CS(C)(=O)=O ZINC000119000443 284132010 /nfs/dbraw/zinc/13/20/10/284132010.db2.gz DBSVJSIXGGAZRM-KBAYOESNSA-N 1 0 323.502 3.058 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)OC2CCCCCC2)[C@H](C)C1 ZINC000119130380 284135521 /nfs/dbraw/zinc/13/55/21/284135521.db2.gz PEOZJAWFJUJWCZ-NUJGCVRESA-N 1 0 324.509 3.303 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000474276522 244382462 /nfs/dbraw/zinc/38/24/62/244382462.db2.gz JYYYLLPXRMVLHF-UHFFFAOYSA-N 1 0 324.852 3.262 10 0 DGAERO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(Oc2ccccc2)o1 ZINC000262593863 203342138 /nfs/dbraw/zinc/34/21/38/203342138.db2.gz WGZBAHKYKANRKL-UHFFFAOYSA-N 1 0 302.374 3.129 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(C2CCCC2)s1 ZINC000093437369 193251640 /nfs/dbraw/zinc/25/16/40/193251640.db2.gz JTOFVGAIFZBXJJ-DZGCQCFKSA-N 1 0 305.491 3.469 10 0 DGAERO Oc1cccc([C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)c1 ZINC000093458099 193254677 /nfs/dbraw/zinc/25/46/77/193254677.db2.gz OUQPVPFLRLVKDF-IBGZPJMESA-N 1 0 308.381 3.447 10 0 DGAERO O=C(N[C@H]1CCCC(F)(F)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439996813 284168935 /nfs/dbraw/zinc/16/89/35/284168935.db2.gz UFSXWBJBLORQQD-GXTWGEPZSA-N 1 0 300.393 3.088 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cc(-c3ccccc3)n[nH]1)CC2 ZINC000093586212 193269565 /nfs/dbraw/zinc/26/95/65/193269565.db2.gz PPUYAOONHMQEFX-VQIMIIECSA-N 1 0 311.429 3.204 10 0 DGAERO CCCOc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000093644670 193280490 /nfs/dbraw/zinc/28/04/90/193280490.db2.gz AJMSENPUIJIXPO-WBVHZDCISA-N 1 0 320.477 3.399 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3ccnn3C)C2)n1 ZINC000093613004 193273688 /nfs/dbraw/zinc/27/36/88/193273688.db2.gz HEXMVEDKZCPRMM-CYBMUJFWSA-N 1 0 304.463 3.380 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(C/C=C/c2ccccc2OC)C1 ZINC000093693384 193290599 /nfs/dbraw/zinc/29/05/99/193290599.db2.gz LHQLRGGKNVLCDL-SYJIQKIWSA-N 1 0 302.462 3.372 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccc(N2CCCC2)nc1 ZINC000093764523 193301054 /nfs/dbraw/zinc/30/10/54/193301054.db2.gz AJAJWGXSHFYWJD-UHFFFAOYSA-N 1 0 316.474 3.203 10 0 DGAERO COc1cc(N[C@H]2CCC[N@H+](Cc3cc[nH]c3)C2)cc(OC)c1 ZINC000093763994 193301457 /nfs/dbraw/zinc/30/14/57/193301457.db2.gz APTNEVKCVMKPIG-HNNXBMFYSA-N 1 0 315.417 3.108 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cnc2c(C)cccn12 ZINC000093764605 193302039 /nfs/dbraw/zinc/30/20/39/193302039.db2.gz DXBGCEKBQHOZHG-UHFFFAOYSA-N 1 0 300.431 3.164 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2cccc3c2OC(C)(C)C3)CC[N@@H+]1C ZINC000093644191 193281030 /nfs/dbraw/zinc/28/10/30/193281030.db2.gz PHNXIXBSFWRBCR-RHSMWYFYSA-N 1 0 302.462 3.315 10 0 DGAERO CN(CC(=O)NC(C)(C)C)Cc1ccc(-c2ccccc2)o1 ZINC000120643928 284174379 /nfs/dbraw/zinc/17/43/79/284174379.db2.gz WNTKUYODIPZLLE-UHFFFAOYSA-N 1 0 300.402 3.293 10 0 DGAERO Cc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(Cl)cc1F ZINC000120574586 284172637 /nfs/dbraw/zinc/17/26/37/284172637.db2.gz TUGHBCSULIPSRD-GFCCVEGCSA-N 1 0 314.832 3.494 10 0 DGAERO C[C@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000094342013 193362536 /nfs/dbraw/zinc/36/25/36/193362536.db2.gz VNEMLWUDVSCVQO-GWCFXTLKSA-N 1 0 303.233 3.041 10 0 DGAERO O=C1N(C(c2ccccc2)c2ccccc2)CC[C@]12CCC[NH2+]2 ZINC000095936736 193450691 /nfs/dbraw/zinc/45/06/91/193450691.db2.gz YLDWLUXMKOENKR-HXUWFJFHSA-N 1 0 306.409 3.131 10 0 DGAERO O=C1N(C(c2ccccc2)c2ccccc2)CC[C@@]12CCC[NH2+]2 ZINC000095936737 193450815 /nfs/dbraw/zinc/45/08/15/193450815.db2.gz YLDWLUXMKOENKR-FQEVSTJZSA-N 1 0 306.409 3.131 10 0 DGAERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1cncc(F)c1 ZINC000128908431 296153954 /nfs/dbraw/zinc/15/39/54/296153954.db2.gz VYALAGWYMFNCOB-KDOFPFPSSA-N 1 0 301.409 3.044 10 0 DGAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000121609668 284202128 /nfs/dbraw/zinc/20/21/28/284202128.db2.gz BJUJQPXRPRXXCD-CABCVRRESA-N 1 0 306.450 3.287 10 0 DGAERO CCN(Cc1ccccc1)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000121660199 284203003 /nfs/dbraw/zinc/20/30/03/284203003.db2.gz QMCWPAVPXOPIAB-QGZVFWFLSA-N 1 0 305.466 3.194 10 0 DGAERO CSCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181288274 432122120 /nfs/dbraw/zinc/12/21/20/432122120.db2.gz MLKANMVWOGBNRW-AWEZNQCLSA-N 1 0 302.447 3.014 10 0 DGAERO O=C(CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000488165709 245155450 /nfs/dbraw/zinc/15/54/50/245155450.db2.gz DAAFFTQPYBZBDJ-IYBDPMFKSA-N 1 0 315.413 3.153 10 0 DGAERO Cc1ccc(OCCC[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1C ZINC000123889081 284248113 /nfs/dbraw/zinc/24/81/13/284248113.db2.gz ZZFBPCWXSZNPEI-QZTJIDSGSA-N 1 0 304.478 3.487 10 0 DGAERO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124228289 284255263 /nfs/dbraw/zinc/25/52/63/284255263.db2.gz DWQOPOQTPDXUAW-KBPBESRZSA-N 1 0 315.461 3.370 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000124258785 284255706 /nfs/dbraw/zinc/25/57/06/284255706.db2.gz RGDXEYKLUICDQG-FQEVSTJZSA-N 1 0 311.473 3.499 10 0 DGAERO C[C@H](c1ccco1)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125211728 284271544 /nfs/dbraw/zinc/27/15/44/284271544.db2.gz CGUHXPKQGQDTII-WLYUNCDWSA-N 1 0 307.438 3.102 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000125358009 284274093 /nfs/dbraw/zinc/27/40/93/284274093.db2.gz OXYWLYBHKOYSOF-UHFFFAOYSA-N 1 0 321.509 3.473 10 0 DGAERO C[C@H]1C[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000246374409 432125363 /nfs/dbraw/zinc/12/53/63/432125363.db2.gz HUACREJJIUQRDM-FZMZJTMJSA-N 1 0 319.392 3.046 10 0 DGAERO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)on1 ZINC000126686488 284313800 /nfs/dbraw/zinc/31/38/00/284313800.db2.gz UWQJMNRFDKQVMH-VXGBXAGGSA-N 1 0 305.353 3.108 10 0 DGAERO Cc1nc(CN(C)[C@@H]2CCCc3c2cnn3C)nc2ccccc12 ZINC000135563932 432125888 /nfs/dbraw/zinc/12/58/88/432125888.db2.gz RTIQZXIWPATUHH-QGZVFWFLSA-N 1 0 321.428 3.181 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)CSC)cc(Br)c1O ZINC000135562031 432125954 /nfs/dbraw/zinc/12/59/54/432125954.db2.gz OSKDQPOGUFNSEV-QMMMGPOBSA-N 1 0 320.252 3.004 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)NCCC1=CCCC1)c1ccccc1 ZINC000127147284 284329037 /nfs/dbraw/zinc/32/90/37/284329037.db2.gz KXDVWKFSRHUDKE-QGZVFWFLSA-N 1 0 301.434 3.089 10 0 DGAERO CC(C)CC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000127584326 284344829 /nfs/dbraw/zinc/34/48/29/284344829.db2.gz YILHLOWXOHLJMX-SJORKVTESA-N 1 0 321.509 3.469 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000128177942 284365894 /nfs/dbraw/zinc/36/58/94/284365894.db2.gz XUFFEDYAIHBWKT-WNRNVDISSA-N 1 0 300.446 3.300 10 0 DGAERO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190159046 432128757 /nfs/dbraw/zinc/12/87/57/432128757.db2.gz ZWHYAANUAHDCMA-NEPJUHHUSA-N 1 0 308.388 3.152 10 0 DGAERO Cc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)c(Cl)cc1F ZINC000128231270 284368289 /nfs/dbraw/zinc/36/82/89/284368289.db2.gz RKXRKAYBQRNVFF-UHFFFAOYSA-N 1 0 312.816 3.201 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Br)c(F)c1 ZINC000161493612 197499316 /nfs/dbraw/zinc/49/93/16/197499316.db2.gz KFDKGPNTLKZYKR-YGRLFVJLSA-N 1 0 315.230 3.290 10 0 DGAERO Cc1ccc(O)c(C[NH2+][C@@H](C)CCOCc2ccccc2)n1 ZINC000288473023 220165708 /nfs/dbraw/zinc/16/57/08/220165708.db2.gz PBSGAYTZTQHNST-AWEZNQCLSA-N 1 0 300.402 3.181 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1cncc(F)c1)N(C)C(=O)OC(C)(C)C ZINC000282959675 217351770 /nfs/dbraw/zinc/35/17/70/217351770.db2.gz YHOAVYMIJBLOCG-RYUDHWBXSA-N 1 0 311.401 3.127 10 0 DGAERO CCOc1cccc(C[NH2+]C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)c1 ZINC000018032708 182090587 /nfs/dbraw/zinc/09/05/87/182090587.db2.gz LNWNTNQFWDEBBB-CCZBSFLLSA-N 1 0 301.430 3.259 10 0 DGAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCCCCC1 ZINC000019280032 182111676 /nfs/dbraw/zinc/11/16/76/182111676.db2.gz XJWAYWGEPPUSOM-JTQLQIEISA-N 1 0 303.269 3.386 10 0 DGAERO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCc1ccncc1 ZINC000181445337 432130125 /nfs/dbraw/zinc/13/01/25/432130125.db2.gz JEMRSVVXHNTBSR-CQSZACIVSA-N 1 0 308.385 3.367 10 0 DGAERO NC(=[NH2+])c1cccc(COc2ccccc2Br)c1 ZINC000019432771 182123196 /nfs/dbraw/zinc/12/31/96/182123196.db2.gz DMXQXHFKFWCPKP-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccccc2Br)C1 ZINC000019426344 182122690 /nfs/dbraw/zinc/12/26/90/182122690.db2.gz LBCKPSBQMZEUOA-JMSVASOKSA-N 1 0 311.267 3.427 10 0 DGAERO NC(=[NH2+])c1ccc(COc2ccc(Br)cc2)c(F)c1 ZINC000019427227 182123065 /nfs/dbraw/zinc/12/30/65/182123065.db2.gz IWNJAMYXEQKOQP-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C)o3)C2)ncn1 ZINC000246434243 432131179 /nfs/dbraw/zinc/13/11/79/432131179.db2.gz OCSFSKABRQIXEM-ZBFHGGJFSA-N 1 0 314.433 3.260 10 0 DGAERO CC[NH+](CC)[C@@](C)(CN)CCc1ccc(OC(F)F)cc1 ZINC000019807634 182152904 /nfs/dbraw/zinc/15/29/04/182152904.db2.gz WOPMNTAVQOVRKK-MRXNPFEDSA-N 1 0 300.393 3.280 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000190206076 432131268 /nfs/dbraw/zinc/13/12/68/432131268.db2.gz MZEIWTGNIGVCPI-CRAIPNDOSA-N 1 0 317.477 3.212 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)no1 ZINC000171409031 432131544 /nfs/dbraw/zinc/13/15/44/432131544.db2.gz JNGHVDFAGUNGTD-CQSZACIVSA-N 1 0 305.809 3.486 10 0 DGAERO COc1ccc2ccccc2c1C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000129497691 284412173 /nfs/dbraw/zinc/41/21/73/284412173.db2.gz MZYGUYFRYDPKHJ-ASSNKEHSSA-N 1 0 305.443 3.095 10 0 DGAERO COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1O ZINC000019886004 182160843 /nfs/dbraw/zinc/16/08/43/182160843.db2.gz XACZWYBQJKEICA-UHFFFAOYSA-N 1 0 322.202 3.453 10 0 DGAERO [NH3+]CCOc1cccc(NC(=O)c2c(F)cccc2Cl)c1 ZINC000020224667 182198727 /nfs/dbraw/zinc/19/87/27/182198727.db2.gz FGCFLBZHCSDYMC-UHFFFAOYSA-N 1 0 308.740 3.069 10 0 DGAERO C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 ZINC000020300227 182203900 /nfs/dbraw/zinc/20/39/00/182203900.db2.gz LTGIQFAZSKSSCJ-NSHDSACASA-N 1 0 315.244 3.136 10 0 DGAERO CCSc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000171433339 432132474 /nfs/dbraw/zinc/13/24/74/432132474.db2.gz BHEGCZDNWUIHCJ-ZFWWWQNUSA-N 1 0 321.490 3.253 10 0 DGAERO CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1nnc(C2CCC2)n1C ZINC000181507499 432132732 /nfs/dbraw/zinc/13/27/32/432132732.db2.gz DRPJIZJIPWUYOC-HUUCEWRRSA-N 1 0 320.481 3.108 10 0 DGAERO Clc1cc2c(cc1C[NH2+][C@@H]1COc3ccccc3C1)OCO2 ZINC000020542773 182229465 /nfs/dbraw/zinc/22/94/65/182229465.db2.gz WFCITCAAZYXKCP-ZDUSSCGKSA-N 1 0 317.772 3.162 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000130182001 284435505 /nfs/dbraw/zinc/43/55/05/284435505.db2.gz KIOMYPVADQMYLP-UHFFFAOYSA-N 1 0 314.473 3.416 10 0 DGAERO CCCOc1c(Cl)cc(CNCCC[NH+](C)C)cc1OC ZINC000020968088 182257281 /nfs/dbraw/zinc/25/72/81/182257281.db2.gz SNLKUWUUQLMCQF-UHFFFAOYSA-N 1 0 314.857 3.179 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000246465143 432133579 /nfs/dbraw/zinc/13/35/79/432133579.db2.gz DULNXHGCGMYTCR-RKVPGOIHSA-N 1 0 315.461 3.361 10 0 DGAERO C[C@H](CN1CCCCC1)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493890665 246094356 /nfs/dbraw/zinc/09/43/56/246094356.db2.gz GHCMVLPKNCPWPM-IPJUCJBFSA-N 1 0 302.462 3.198 10 0 DGAERO CC[NH+](CC)[C@@H](C)C(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000021805256 182291444 /nfs/dbraw/zinc/29/14/44/182291444.db2.gz XFGIUZFSJMNVJL-QMMMGPOBSA-N 1 0 304.221 3.244 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000246458480 432134194 /nfs/dbraw/zinc/13/41/94/432134194.db2.gz YSTRKTFBCOPCEM-WFASDCNBSA-N 1 0 324.490 3.005 10 0 DGAERO CCC[C@H](C(=O)N(C)C[C@H](C)Cc1ccc(OC)cc1)[NH+](C)C ZINC000134845405 284452793 /nfs/dbraw/zinc/45/27/93/284452793.db2.gz VSAYUKVPIFWINM-CRAIPNDOSA-N 1 0 320.477 3.063 10 0 DGAERO c1cn2c(n1)C[C@H]([NH2+]Cc1csc(-c3ccccc3)n1)CC2 ZINC000494408165 246145352 /nfs/dbraw/zinc/14/53/52/246145352.db2.gz CAHAZQYFUNFGQC-CQSZACIVSA-N 1 0 310.426 3.111 10 0 DGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000134916544 284455095 /nfs/dbraw/zinc/45/50/95/284455095.db2.gz JVHOYFMVYYBKEM-ZIAGYGMSSA-N 1 0 322.497 3.244 10 0 DGAERO c1ccc(COC2CC([NH2+][C@H]3CCO[C@@H](C4CC4)C3)C2)cc1 ZINC000494774470 246190436 /nfs/dbraw/zinc/19/04/36/246190436.db2.gz ICUJVRDKUVEBOH-MKCYZYCBSA-N 1 0 301.430 3.281 10 0 DGAERO COc1c(C)ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000246471828 432134760 /nfs/dbraw/zinc/13/47/60/432134760.db2.gz OMEBMYVZQASGFY-UKRRQHHQSA-N 1 0 317.433 3.012 10 0 DGAERO CCn1ccnc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267520936 206119701 /nfs/dbraw/zinc/11/97/01/206119701.db2.gz NPJOMYKSTUBDLN-WMZOPIPTSA-N 1 0 312.461 3.046 10 0 DGAERO FC(F)(F)c1ccc([C@H](c2cccnc2)N2CC[NH2+]CC2)cc1 ZINC000023377874 182358760 /nfs/dbraw/zinc/35/87/60/182358760.db2.gz ZKXDOWYKJGPNRO-MRXNPFEDSA-N 1 0 321.346 3.095 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H]1CC1CCCCC1)CS(C)(=O)=O ZINC000246494368 432138467 /nfs/dbraw/zinc/13/84/67/432138467.db2.gz IQGFOGVYQIWXLV-HOCLYGCPSA-N 1 0 301.496 3.102 10 0 DGAERO Cc1cccc(OCC[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000150848351 284538520 /nfs/dbraw/zinc/53/85/20/284538520.db2.gz QVUXYDGJLGJJDK-MRXNPFEDSA-N 1 0 322.412 3.305 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCSCC(C)C)[C@@H]2C1 ZINC000246506596 432138986 /nfs/dbraw/zinc/13/89/86/432138986.db2.gz KJGPCRXCWVKYCX-OAGGEKHMSA-N 1 0 301.496 3.034 10 0 DGAERO CN([C@@H](C[NH3+])c1c(Cl)cccc1Cl)C1CCOCC1 ZINC000036320696 182815264 /nfs/dbraw/zinc/81/52/64/182815264.db2.gz JBOAVNVNVWSOHJ-ZDUSSCGKSA-N 1 0 303.233 3.104 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246576861 432146280 /nfs/dbraw/zinc/14/62/80/432146280.db2.gz XVHGAGMIQJZZRB-WMLDXEAASA-N 1 0 319.449 3.324 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCc2cccs2)C1 ZINC000246596600 432146745 /nfs/dbraw/zinc/14/67/45/432146745.db2.gz IUFAQHATUDKNSO-HOCLYGCPSA-N 1 0 306.475 3.014 10 0 DGAERO CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nnc3n2CCCC3)C1(C)C ZINC000181835312 432147744 /nfs/dbraw/zinc/14/77/44/432147744.db2.gz HVOUPUWXKCSAAT-RRFJBIMHSA-N 1 0 320.481 3.105 10 0 DGAERO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H]3CC=CCC3)cn2)C[C@@H](C)O1 ZINC000246590849 432147658 /nfs/dbraw/zinc/14/76/58/432147658.db2.gz GQWJFIHCLKKLIF-BRWVUGGUSA-N 1 0 315.461 3.141 10 0 DGAERO CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nc(CC)nc32)C1(C)C ZINC000181882170 432148640 /nfs/dbraw/zinc/14/86/40/432148640.db2.gz JRRZDXPTNJCCQO-QLFBSQMISA-N 1 0 320.481 3.249 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1OC ZINC000246606838 432148696 /nfs/dbraw/zinc/14/86/96/432148696.db2.gz RETXYYBSHTUKKW-KBPBESRZSA-N 1 0 322.836 3.047 10 0 DGAERO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000040173973 183043737 /nfs/dbraw/zinc/04/37/37/183043737.db2.gz KYXUQCPRIDRANM-CYBMUJFWSA-N 1 0 308.303 3.214 10 0 DGAERO CCC[C@H]1CC(=O)C[C@]23CC[N@H+](C)[C@H](Cc4ccc(O)cc42)[C@H]13 ZINC000040373715 183057361 /nfs/dbraw/zinc/05/73/61/183057361.db2.gz LEDWRROTDFGMIG-WEFJBSGNSA-N 1 0 313.441 3.286 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000040502124 183084508 /nfs/dbraw/zinc/08/45/08/183084508.db2.gz BBACODPVFGANGE-CYBMUJFWSA-N 1 0 302.340 3.159 10 0 DGAERO Cc1ccc(C)c(Nc2nc[nH+]c(NNC(C)(C)C)c2N)c1 ZINC000040704648 183121316 /nfs/dbraw/zinc/12/13/16/183121316.db2.gz KDSCYWQBXQUMNT-UHFFFAOYSA-N 1 0 300.410 3.134 10 0 DGAERO Cc1cc(Cl)ccc1Nc1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040703398 183119632 /nfs/dbraw/zinc/11/96/32/183119632.db2.gz NYWNDNPTCICTCI-UHFFFAOYSA-N 1 0 320.828 3.479 10 0 DGAERO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000152932093 284648891 /nfs/dbraw/zinc/64/88/91/284648891.db2.gz KJJSUPGTTOVODL-CYBMUJFWSA-N 1 0 310.413 3.134 10 0 DGAERO C[NH2+]C[C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000040599832 183107979 /nfs/dbraw/zinc/10/79/79/183107979.db2.gz DPBBWYMIZQWYRW-LBPRGKRZSA-N 1 0 317.260 3.304 10 0 DGAERO Cc1csc2nc(C)c(C[NH2+]CCc3ccc(O)cc3)n12 ZINC000040736140 183126139 /nfs/dbraw/zinc/12/61/39/183126139.db2.gz PEFUGWFRPQQKNF-UHFFFAOYSA-N 1 0 301.415 3.051 10 0 DGAERO Cc1cc(Oc2nc[nH+]c(NN(C)C)c2N)cc(C)c1Cl ZINC000040760075 183130511 /nfs/dbraw/zinc/13/05/11/183130511.db2.gz XHCKPRVEIZNXMT-UHFFFAOYSA-N 1 0 307.785 3.010 10 0 DGAERO Fc1cccc(-c2cnc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)o2)c1 ZINC000246634102 432149809 /nfs/dbraw/zinc/14/98/09/432149809.db2.gz KNIXIQMZOMOBHC-HOCLYGCPSA-N 1 0 316.376 3.482 10 0 DGAERO Brc1cccc(C2CC([NH2+]CCn3ccnc3)C2)c1 ZINC000041119516 183167226 /nfs/dbraw/zinc/16/72/26/183167226.db2.gz CGDRKJCPMGGLID-UHFFFAOYSA-N 1 0 320.234 3.181 10 0 DGAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000042167684 183238062 /nfs/dbraw/zinc/23/80/62/183238062.db2.gz BFFFILHSEGQBTN-ZWNOBZJWSA-N 1 0 300.324 3.025 10 0 DGAERO C[C@H]1[C@@H](O)CCCN1Cc1ccc(Br)c(F)c1F ZINC000528520241 295222423 /nfs/dbraw/zinc/22/24/23/295222423.db2.gz NWLUGPCUFISZSS-KWQFWETISA-N 1 0 320.177 3.073 10 0 DGAERO CC(C)[N@H+](CCC(N)=S)Cc1ccccc1Br ZINC000042529253 183280907 /nfs/dbraw/zinc/28/09/07/183280907.db2.gz XXURYDIARZHCHI-UHFFFAOYSA-N 1 0 315.280 3.336 10 0 DGAERO CC(C)N(CCC(N)=[NH2+])Cc1ccc(F)cc1Br ZINC000042529648 183281201 /nfs/dbraw/zinc/28/12/01/183281201.db2.gz RRUTZQBZEOKJML-UHFFFAOYSA-N 1 0 316.218 3.125 10 0 DGAERO [NH3+]C[C@@H](OC[C@H]1CCCCO1)c1ccc(Br)cc1 ZINC000042957417 183323147 /nfs/dbraw/zinc/32/31/47/183323147.db2.gz APTFIIAILBMJID-ZIAGYGMSSA-N 1 0 314.223 3.035 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)n1cc(Br)cn1 ZINC000042973234 183324407 /nfs/dbraw/zinc/32/44/07/183324407.db2.gz JGGUUKYIOOBVOI-CHWSQXEVSA-N 1 0 312.186 3.111 10 0 DGAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)n1cc(Br)cn1 ZINC000043016837 183327786 /nfs/dbraw/zinc/32/77/86/183327786.db2.gz DPEGYFTZEQSELS-PRHODGIISA-N 1 0 314.614 3.236 10 0 DGAERO Cc1cc(C)n([C@H](c2ccccc2Br)[C@H](C)[NH3+])n1 ZINC000043093704 183336625 /nfs/dbraw/zinc/33/66/25/183336625.db2.gz JYVULIVAWLUMPM-FZMZJTMJSA-N 1 0 308.223 3.199 10 0 DGAERO CCc1nccn1[C@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043093913 183337017 /nfs/dbraw/zinc/33/70/17/183337017.db2.gz KOWYTJLDCSUDNZ-HZMBPMFUSA-N 1 0 308.223 3.145 10 0 DGAERO C[C@H]([NH3+])[C@H](Sc1ncccn1)c1ccccc1Br ZINC000043096022 183337505 /nfs/dbraw/zinc/33/75/05/183337505.db2.gz SMOPZMVXXCPENU-CABZTGNLSA-N 1 0 324.247 3.420 10 0 DGAERO C[C@@H]([NH3+])[C@H](OC1CCOCC1)c1ccccc1Br ZINC000043095574 183337543 /nfs/dbraw/zinc/33/75/43/183337543.db2.gz XUEUVDINQLXQAI-YGRLFVJLSA-N 1 0 314.223 3.033 10 0 DGAERO [NH3+]C[C@H](Sc1ncccn1)c1ccccc1Br ZINC000043096020 183337611 /nfs/dbraw/zinc/33/76/11/183337611.db2.gz JVPQIONXQRTHKY-NSHDSACASA-N 1 0 310.220 3.031 10 0 DGAERO [NH3+]C[C@@H](c1ccccc1Br)n1cnc2ccccc21 ZINC000043093715 183336435 /nfs/dbraw/zinc/33/64/35/183336435.db2.gz GLSDYHZQECCZRK-HNNXBMFYSA-N 1 0 316.202 3.347 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@H](c2cc(F)cc(F)c2)C1 ZINC000044136165 183395615 /nfs/dbraw/zinc/39/56/15/183395615.db2.gz XDCABODMRMVTBG-SMDDNHRTSA-N 1 0 312.360 3.017 10 0 DGAERO COc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000153820755 284693785 /nfs/dbraw/zinc/69/37/85/284693785.db2.gz RKQIMIYRTBSQFQ-HNNXBMFYSA-N 1 0 318.461 3.068 10 0 DGAERO C[C@H](CCc1ccccc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000170941056 284720414 /nfs/dbraw/zinc/72/04/14/284720414.db2.gz FMKKGRIIKCTKEF-QGZVFWFLSA-N 1 0 324.472 3.399 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1cccc(Cl)c1 ZINC000105080523 194070621 /nfs/dbraw/zinc/07/06/21/194070621.db2.gz BSISFDUDXREERO-VXGBXAGGSA-N 1 0 309.841 3.183 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105001319 194063802 /nfs/dbraw/zinc/06/38/02/194063802.db2.gz BUIWWQPWNCXQKO-OAHLLOKOSA-N 1 0 317.433 3.176 10 0 DGAERO C[C@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)Cc1ccc(Cl)cc1 ZINC000179905569 284736665 /nfs/dbraw/zinc/73/66/65/284736665.db2.gz CJQVHCSHAOMMRM-BBRMVZONSA-N 1 0 308.853 3.071 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000105087042 194071407 /nfs/dbraw/zinc/07/14/07/194071407.db2.gz JUAJGDIDWFYKOI-LSDHHAIUSA-N 1 0 307.438 3.069 10 0 DGAERO C[C@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC000185439916 284757733 /nfs/dbraw/zinc/75/77/33/284757733.db2.gz UZHXHQWBCKDEPY-LRDDRELGSA-N 1 0 305.809 3.183 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1F ZINC000105802343 194131410 /nfs/dbraw/zinc/13/14/10/194131410.db2.gz DOLQBZUVTARRMZ-JSGCOSHPSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1F ZINC000105802338 194132819 /nfs/dbraw/zinc/13/28/19/194132819.db2.gz DOLQBZUVTARRMZ-GXTWGEPZSA-N 1 0 318.371 3.074 10 0 DGAERO Clc1ccccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105804684 194133513 /nfs/dbraw/zinc/13/35/13/194133513.db2.gz WUBHZIUKYJXTKD-UHFFFAOYSA-N 1 0 302.809 3.207 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)CC2 ZINC000105872499 194153902 /nfs/dbraw/zinc/15/39/02/194153902.db2.gz LJJRKWWMJUIKCC-NEPJUHHUSA-N 1 0 304.825 3.160 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000105900860 194163881 /nfs/dbraw/zinc/16/38/81/194163881.db2.gz RJJGLLYMJIZRQA-IBGZPJMESA-N 1 0 321.428 3.214 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000105900589 194164866 /nfs/dbraw/zinc/16/48/66/194164866.db2.gz IDFMMNDZBJAVLX-INIZCTEOSA-N 1 0 315.417 3.046 10 0 DGAERO CCn1cnnc1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000105928313 194173281 /nfs/dbraw/zinc/17/32/81/194173281.db2.gz REOKZLRHEYNMIC-UHFFFAOYSA-N 1 0 321.428 3.226 10 0 DGAERO C[N@@H+]([C@@H]1CCCc2ccccc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000106076198 194184153 /nfs/dbraw/zinc/18/41/53/194184153.db2.gz NSWOPZYVZFGTQF-PKOBYXMFSA-N 1 0 322.456 3.455 10 0 DGAERO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106079770 194184520 /nfs/dbraw/zinc/18/45/20/194184520.db2.gz NFINRHFJWVAKBN-INIZCTEOSA-N 1 0 316.836 3.231 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](CCOc3cccc(F)c3)C2)c1 ZINC000106221163 194191338 /nfs/dbraw/zinc/19/13/38/194191338.db2.gz HEZDFFNQGYBHDC-MRXNPFEDSA-N 1 0 303.381 3.047 10 0 DGAERO COc1cccc([C@@H]2C[C@@H]2C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000106732487 194248060 /nfs/dbraw/zinc/24/80/60/194248060.db2.gz RBENIVMTZVTDJU-ROUUACIJSA-N 1 0 318.461 3.034 10 0 DGAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000052762319 183870802 /nfs/dbraw/zinc/87/08/02/183870802.db2.gz DHTCPJGZLKEHHF-CYBMUJFWSA-N 1 0 303.324 3.322 10 0 DGAERO O=C(CCc1ccccc1O)NCCCCC[NH+]1CCCCC1 ZINC000110439623 194330713 /nfs/dbraw/zinc/33/07/13/194330713.db2.gz GFBQVZSPSYMUBZ-UHFFFAOYSA-N 1 0 318.461 3.097 10 0 DGAERO C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@@H]1CCCO1 ZINC000056494965 184013871 /nfs/dbraw/zinc/01/38/71/184013871.db2.gz JQPKGDMTSLOBFB-AWEZNQCLSA-N 1 0 303.324 3.239 10 0 DGAERO CCOc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC000056702361 184017697 /nfs/dbraw/zinc/01/76/97/184017697.db2.gz IXYWKOGHKOFNBN-CYBMUJFWSA-N 1 0 323.412 3.220 10 0 DGAERO CCOc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000056702360 184017709 /nfs/dbraw/zinc/01/77/09/184017709.db2.gz IXYWKOGHKOFNBN-ZDUSSCGKSA-N 1 0 323.412 3.220 10 0 DGAERO O=C(NCCc1ccsc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057156071 184028412 /nfs/dbraw/zinc/02/84/12/184028412.db2.gz BZJVITYZDUFJII-KRWDZBQOSA-N 1 0 314.454 3.071 10 0 DGAERO CCC[C@@H](C(=O)Nc1cccc(SC(=O)N(C)C)c1)[NH+](C)C ZINC000157302919 197178298 /nfs/dbraw/zinc/17/82/98/197178298.db2.gz FUKPCBFGPUEFDH-AWEZNQCLSA-N 1 0 323.462 3.129 10 0 DGAERO Cc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)c(C)n1C(C)C ZINC000058910349 184131060 /nfs/dbraw/zinc/13/10/60/184131060.db2.gz HKGKMJSSMYNOIT-UHFFFAOYSA-N 1 0 317.477 3.386 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000246445640 284897137 /nfs/dbraw/zinc/89/71/37/284897137.db2.gz LDSXOOLRVMFPAA-YJNKXOJESA-N 1 0 322.399 3.057 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2Cc2ccccc2)C1 ZINC000058926666 184132089 /nfs/dbraw/zinc/13/20/89/184132089.db2.gz UVVNCZFNYIDDDW-SFHVURJKSA-N 1 0 322.452 3.349 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000058925480 184132099 /nfs/dbraw/zinc/13/20/99/184132099.db2.gz VHOQMRBLBFIIGB-ZDUSSCGKSA-N 1 0 316.376 3.157 10 0 DGAERO CC[NH2+]C[C@@H](C)C(=O)Nc1c(C)cc(Br)cc1C ZINC000061228615 184166944 /nfs/dbraw/zinc/16/69/44/184166944.db2.gz LFOMBACILSRSTA-LLVKDONJSA-N 1 0 313.239 3.250 10 0 DGAERO [NH3+]Cc1ncccc1COc1ccc(F)cc1Br ZINC000061657561 184181039 /nfs/dbraw/zinc/18/10/39/184181039.db2.gz ZDOHDTXKQWUOKZ-UHFFFAOYSA-N 1 0 311.154 3.021 10 0 DGAERO C[C@H]1CN([C@@H](C[NH3+])c2c(Cl)cccc2Cl)CCCO1 ZINC000061916125 184195210 /nfs/dbraw/zinc/19/52/10/184195210.db2.gz GTXPTLKEHQHVBI-GWCFXTLKSA-N 1 0 303.233 3.104 10 0 DGAERO CN(CC[NH2+][C@H]1CCc2cc(Br)ccc21)C1CC1 ZINC000061995010 184200407 /nfs/dbraw/zinc/20/04/07/184200407.db2.gz TVPBJMHHRYLKOH-HNNXBMFYSA-N 1 0 309.251 3.120 10 0 DGAERO CC[NH2+]C[C@@]1(Cc2cccc(Br)c2)CCCOC1 ZINC000062193970 184218477 /nfs/dbraw/zinc/21/84/77/184218477.db2.gz UUJDIZYWBPLLFM-HNNXBMFYSA-N 1 0 312.251 3.398 10 0 DGAERO CCOc1ccc(Br)cc1[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000062230929 184224109 /nfs/dbraw/zinc/22/41/09/184224109.db2.gz ZJGNLOWKBHBQPY-YGRLFVJLSA-N 1 0 314.223 3.274 10 0 DGAERO CC(C)OCCOc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000062704545 184248665 /nfs/dbraw/zinc/24/86/65/184248665.db2.gz DFGTYLWTXLEOFO-LLVKDONJSA-N 1 0 316.239 3.143 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)C1(C)CC[NH2+]CC1 ZINC000062840313 184255752 /nfs/dbraw/zinc/25/57/52/184255752.db2.gz CLCCSVHIYPEDHF-UHFFFAOYSA-N 1 0 311.223 3.086 10 0 DGAERO CCC1(C(=O)Nc2ccccc2Br)CC[NH2+]CC1 ZINC000062847743 184256700 /nfs/dbraw/zinc/25/67/00/184256700.db2.gz GEVNVIKYIXJWCR-UHFFFAOYSA-N 1 0 311.223 3.167 10 0 DGAERO C[NH2+]Cc1ccc(OCc2cscn2)c(Br)c1 ZINC000062700780 184247797 /nfs/dbraw/zinc/24/77/97/184247797.db2.gz YCRIUCLRCRMYBL-UHFFFAOYSA-N 1 0 313.220 3.204 10 0 DGAERO C[C@@H](CC(N)=S)[N@H+](C)Cc1cc(Br)ccc1F ZINC000063089038 184270142 /nfs/dbraw/zinc/27/01/42/184270142.db2.gz VEEJVBVZKMDPIS-QMMMGPOBSA-N 1 0 319.243 3.085 10 0 DGAERO COCC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)CC(C)C ZINC000065281204 184320914 /nfs/dbraw/zinc/32/09/14/184320914.db2.gz KZSCBNXBAWJJHX-UHFFFAOYSA-N 1 0 318.417 3.455 10 0 DGAERO O[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000065288589 184323269 /nfs/dbraw/zinc/32/32/69/184323269.db2.gz UULPSCLJILDSTJ-GOSISDBHSA-N 1 0 300.377 3.166 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000115796925 194701517 /nfs/dbraw/zinc/70/15/17/194701517.db2.gz JTZXKOBUECMDIF-JKSUJKDBSA-N 1 0 320.481 3.117 10 0 DGAERO Cc1cc(C)cc([C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)c1 ZINC000184440929 207623459 /nfs/dbraw/zinc/62/34/59/207623459.db2.gz IAJUDVBAEBOQLS-INIZCTEOSA-N 1 0 323.440 3.394 10 0 DGAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000248650187 285013809 /nfs/dbraw/zinc/01/38/09/285013809.db2.gz LSLGFWSBFVHEES-SJORKVTESA-N 1 0 323.502 3.278 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000248656153 285014978 /nfs/dbraw/zinc/01/49/78/285014978.db2.gz RDWOOGHGHOAIDZ-OLMNPRSZSA-N 1 0 309.425 3.386 10 0 DGAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000248655258 285015156 /nfs/dbraw/zinc/01/51/56/285015156.db2.gz QIQATOOCAVXJFC-OCCSQVGLSA-N 1 0 301.377 3.135 10 0 DGAERO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248708574 285018939 /nfs/dbraw/zinc/01/89/39/285018939.db2.gz AZRUDVCYZKQJRX-KYJSFNMBSA-N 1 0 315.461 3.046 10 0 DGAERO CSc1ccc(N[C@H](C)C[N@H+](C)Cc2ccccc2)nn1 ZINC000302021734 532984758 /nfs/dbraw/zinc/98/47/58/532984758.db2.gz OGCFTOLYPCJFJG-CYBMUJFWSA-N 1 0 302.447 3.131 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000248841862 285030399 /nfs/dbraw/zinc/03/03/99/285030399.db2.gz QCGHTNXPROXAKA-XOIINTDNSA-N 1 0 319.445 3.376 10 0 DGAERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC000248859803 285033170 /nfs/dbraw/zinc/03/31/70/285033170.db2.gz RUZVNIARNTUXTC-FNHZYXHNSA-N 1 0 324.424 3.317 10 0 DGAERO CCN(C(=O)C[N@H+](C(C)C)C1CCOCC1)C1CCCCC1 ZINC000119692608 195018782 /nfs/dbraw/zinc/01/87/82/195018782.db2.gz XKTXAHVVILFXHA-UHFFFAOYSA-N 1 0 310.482 3.057 10 0 DGAERO COc1ccc([C@H]([NH2+]C[C@H](O)COC(C)(C)C)C(C)C)cc1 ZINC000119847349 195047542 /nfs/dbraw/zinc/04/75/42/195047542.db2.gz JMMVJIONOFMQPH-DOTOQJQBSA-N 1 0 309.450 3.158 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000249040523 285048404 /nfs/dbraw/zinc/04/84/04/285048404.db2.gz UQSBQVAWWCXRGE-VBQJREDUSA-N 1 0 313.445 3.199 10 0 DGAERO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)o1 ZINC000119939709 195065935 /nfs/dbraw/zinc/06/59/35/195065935.db2.gz AQHHEEKDWYNODK-AWEZNQCLSA-N 1 0 316.376 3.105 10 0 DGAERO Cc1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)cc1Br ZINC000120018482 195081388 /nfs/dbraw/zinc/08/13/88/195081388.db2.gz GPFDUOMSGGKOEB-GFCCVEGCSA-N 1 0 300.240 3.349 10 0 DGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000249110861 285056920 /nfs/dbraw/zinc/05/69/20/285056920.db2.gz MTJFABKGGSJHDA-XWTMOSNGSA-N 1 0 300.446 3.032 10 0 DGAERO CC(C)c1cnc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000249144712 285059825 /nfs/dbraw/zinc/05/98/25/285059825.db2.gz ZWCAHCDLLSOVLE-NWDGAFQWSA-N 1 0 310.467 3.117 10 0 DGAERO CC1(C)SC[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000315365379 252915999 /nfs/dbraw/zinc/91/59/99/252915999.db2.gz FQMORTGBQQFPIK-SNVBAGLBSA-N 1 0 302.237 3.138 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1cccc(Cl)c1 ZINC000249200136 285063055 /nfs/dbraw/zinc/06/30/55/285063055.db2.gz SQADMSHMKVHKNG-LSDHHAIUSA-N 1 0 318.852 3.447 10 0 DGAERO O=C(Nc1csc2ccccc12)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333123152 252937213 /nfs/dbraw/zinc/93/72/13/252937213.db2.gz GWEFYNPJHUVDTD-YNEHKIRRSA-N 1 0 315.442 3.411 10 0 DGAERO CCCc1cnc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000333137225 252937573 /nfs/dbraw/zinc/93/75/73/252937573.db2.gz KJFKAVHWTNCZPJ-CQSZACIVSA-N 1 0 322.478 3.092 10 0 DGAERO CO[C@@H]1CN(Cc2cc(O)ccc2Br)CC[C@H]1C ZINC000249215717 285063731 /nfs/dbraw/zinc/06/37/31/285063731.db2.gz TUPHXDQJXXBFPN-QMTHXVAHSA-N 1 0 314.223 3.012 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(OC)c2)[C@@H](C)C1 ZINC000249264336 285065237 /nfs/dbraw/zinc/06/52/37/285065237.db2.gz IMWVNMUFNMJXLA-SWLSCSKDSA-N 1 0 323.412 3.028 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc(C4CCCCC4)ns3)C[C@@H]21 ZINC000333246735 252945032 /nfs/dbraw/zinc/94/50/32/252945032.db2.gz FXBBBGDBDOYBDY-HZSPNIEDSA-N 1 0 306.479 3.149 10 0 DGAERO O=C(NC1CCC(c2ccccc2)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000333844507 252975117 /nfs/dbraw/zinc/97/51/17/252975117.db2.gz VUSKZGOIJBHJFS-ABHNRTSZSA-N 1 0 315.461 3.154 10 0 DGAERO CC[N@H+](Cc1ccc(OC)c(Br)c1)[C@@H]1CCOC1 ZINC000336785675 253001242 /nfs/dbraw/zinc/00/12/42/253001242.db2.gz AHTPEALEHNQUBV-GFCCVEGCSA-N 1 0 314.223 3.069 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCn2cc(Br)cn2)CC(C)(C)C1 ZINC000336792079 253002157 /nfs/dbraw/zinc/00/21/57/253002157.db2.gz QJOMYQQVBRTTMY-YPMHNXCESA-N 1 0 314.271 3.450 10 0 DGAERO CSc1ccccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178759382 533031357 /nfs/dbraw/zinc/03/13/57/533031357.db2.gz SPSAZENEJLWEMC-UHFFFAOYSA-N 1 0 306.475 3.259 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249595110 285082295 /nfs/dbraw/zinc/08/22/95/285082295.db2.gz WOZNSTARNRFFNE-PXAZEXFGSA-N 1 0 324.852 3.070 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249595111 285082355 /nfs/dbraw/zinc/08/23/55/285082355.db2.gz WOZNSTARNRFFNE-SJKOYZFVSA-N 1 0 324.852 3.070 10 0 DGAERO CC(C)[N@@H+](Cc1ccc(F)c(Br)c1)C[C@H](C)O ZINC000337136986 253051824 /nfs/dbraw/zinc/05/18/24/253051824.db2.gz NQMPLKFQCXSRAO-JTQLQIEISA-N 1 0 304.203 3.179 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(OC)cc1 ZINC000249707366 285084876 /nfs/dbraw/zinc/08/48/76/285084876.db2.gz BLHZDTJSZKQYGJ-PVAVHDDUSA-N 1 0 303.402 3.001 10 0 DGAERO C[C@H](Sc1ccccc1Cl)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249839857 285089927 /nfs/dbraw/zinc/08/99/27/285089927.db2.gz VKJACIHNTPHXIQ-STQMWFEESA-N 1 0 324.877 3.127 10 0 DGAERO C[C@@H](C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000249845626 285089946 /nfs/dbraw/zinc/08/99/46/285089946.db2.gz OKQVCEISFCSIQQ-GWCFXTLKSA-N 1 0 307.743 3.443 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](CCCc3ccncc3)C2)n2c1CCCC2 ZINC000337449810 253118403 /nfs/dbraw/zinc/11/84/03/253118403.db2.gz SBKQSIYQAAAKOZ-SFHVURJKSA-N 1 0 324.472 3.427 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(F)c(Br)c1 ZINC000251424139 285095842 /nfs/dbraw/zinc/09/58/42/285095842.db2.gz HWHGBTREQCPQSP-NURSFMCSSA-N 1 0 316.214 3.400 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000338144410 253230912 /nfs/dbraw/zinc/23/09/12/253230912.db2.gz VWWIMHOFBDAAFO-ONOODXEBSA-N 1 0 316.836 3.248 10 0 DGAERO c1ccc([C@H]2CCC[N@H+]2CCc2nnnn2-c2ccccc2)cc1 ZINC000338358309 253271763 /nfs/dbraw/zinc/27/17/63/253271763.db2.gz WOSXQVSGVIUDHT-GOSISDBHSA-N 1 0 319.412 3.042 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cnn(-c2ccccc2)c1 ZINC000159271545 197340872 /nfs/dbraw/zinc/34/08/72/197340872.db2.gz QLOGUVKTEHYOAV-UHFFFAOYSA-N 1 0 312.442 3.393 10 0 DGAERO CC[N@H+](CCC(=O)Nc1ccccc1)CCc1nccs1 ZINC000159243650 197339222 /nfs/dbraw/zinc/33/92/22/197339222.db2.gz BFHFDUJIHJXYFV-UHFFFAOYSA-N 1 0 303.431 3.036 10 0 DGAERO c1ccc([C@@H](CNc2ccnc3cccnc32)[NH+]2CCCC2)cc1 ZINC000338635809 253323745 /nfs/dbraw/zinc/32/37/45/253323745.db2.gz DBJWGVDGRUMTJF-LJQANCHMSA-N 1 0 318.424 3.301 10 0 DGAERO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)n1C(C)C ZINC000159033096 197321135 /nfs/dbraw/zinc/32/11/35/197321135.db2.gz ZHLGATMEHVRMMH-SUMWQHHRSA-N 1 0 305.466 3.144 10 0 DGAERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1F ZINC000159032659 197320868 /nfs/dbraw/zinc/32/08/68/197320868.db2.gz YPBUAEWREDZNBN-KSSFIOAISA-N 1 0 314.404 3.176 10 0 DGAERO CC(C)C[C@@H](CNC(=O)C/C=C\c1cccc(F)c1)[NH+](C)C ZINC000255068078 285126083 /nfs/dbraw/zinc/12/60/83/285126083.db2.gz SANCYDWNIYERRD-QLBOMPFWSA-N 1 0 306.425 3.322 10 0 DGAERO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000120234185 195124188 /nfs/dbraw/zinc/12/41/88/195124188.db2.gz YUJMCHXAXUVAMZ-SFHVURJKSA-N 1 0 310.445 3.194 10 0 DGAERO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000120234034 195124686 /nfs/dbraw/zinc/12/46/86/195124686.db2.gz YUJMCHXAXUVAMZ-GOSISDBHSA-N 1 0 310.445 3.194 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000158135473 197246845 /nfs/dbraw/zinc/24/68/45/197246845.db2.gz WBWPGQCWPJRERD-OLZOCXBDSA-N 1 0 322.430 3.371 10 0 DGAERO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc(Cl)n1 ZINC000157814922 197218144 /nfs/dbraw/zinc/21/81/44/197218144.db2.gz UPUPPRXDBIXHSO-CABCVRRESA-N 1 0 321.852 3.131 10 0 DGAERO Oc1cccc(N2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)c1 ZINC000255554849 285163959 /nfs/dbraw/zinc/16/39/59/285163959.db2.gz QIGCCSCKCGLOGL-IHWYPQMZSA-N 1 0 312.388 3.367 10 0 DGAERO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2cccc(F)c2)s1 ZINC000157558307 197198320 /nfs/dbraw/zinc/19/83/20/197198320.db2.gz DQLZJESRMHHKOH-UHFFFAOYSA-N 1 0 321.421 3.094 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000342821367 254059124 /nfs/dbraw/zinc/05/91/24/254059124.db2.gz MVEGFPSZOCGUTM-LJQANCHMSA-N 1 0 301.430 3.478 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000342844124 254063660 /nfs/dbraw/zinc/06/36/60/254063660.db2.gz YKMYSTQYZKBCLB-QGZVFWFLSA-N 1 0 315.442 3.208 10 0 DGAERO CCCC[C@H](COC)[NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000157543665 197195326 /nfs/dbraw/zinc/19/53/26/197195326.db2.gz CWQRWBDTAXIXOS-IAGOWNOFSA-N 1 0 320.477 3.316 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC/C=C\c2ccccc2)CC1 ZINC000255679688 285174115 /nfs/dbraw/zinc/17/41/15/285174115.db2.gz ZNRJDJLVGNBMKH-TWGQIWQCSA-N 1 0 315.461 3.121 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C(C)=C\c2ccccc2)C[C@H]1C ZINC000255673829 285173188 /nfs/dbraw/zinc/17/31/88/285173188.db2.gz MPMYVZHZRUJYEM-HGLWPWQMSA-N 1 0 302.462 3.133 10 0 DGAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C/C=C\c1cccc(F)c1 ZINC000255843621 285181396 /nfs/dbraw/zinc/18/13/96/285181396.db2.gz MDVVFJFNAMRDIG-XTKXOIQPSA-N 1 0 304.409 3.028 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(OC(C)(C)C)cc1 ZINC000157246905 197173378 /nfs/dbraw/zinc/17/33/78/197173378.db2.gz CLWVLVLESKOOPB-DZGCQCFKSA-N 1 0 314.433 3.121 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H]2COc3ccccc3C2)ccc1F ZINC000153343438 533131207 /nfs/dbraw/zinc/13/12/07/533131207.db2.gz UQEWMLDMUGSWFY-WFASDCNBSA-N 1 0 301.361 3.489 10 0 DGAERO CC(=O)N1CCC([NH2+][C@H](C)CCc2ccc(Cl)s2)CC1 ZINC000344468375 254274358 /nfs/dbraw/zinc/27/43/58/254274358.db2.gz RUHAHIQNWGEXQH-LLVKDONJSA-N 1 0 314.882 3.323 10 0 DGAERO CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261817879 285192607 /nfs/dbraw/zinc/19/26/07/285192607.db2.gz SLSHGPPTLNDGKK-XNRPHZJLSA-N 1 0 306.475 3.351 10 0 DGAERO CN(Cc1cccc2c1OC(C)(C)C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261817838 285192855 /nfs/dbraw/zinc/19/28/55/285192855.db2.gz AMIONJQOJUQONX-SJPCQFCGSA-N 1 0 300.446 3.115 10 0 DGAERO CCC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000156814366 197141825 /nfs/dbraw/zinc/14/18/25/197141825.db2.gz LBSAQPSYAKKBPC-ZDUSSCGKSA-N 1 0 302.340 3.052 10 0 DGAERO CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262532253 285195627 /nfs/dbraw/zinc/19/56/27/285195627.db2.gz NZTBAPKLANPYDA-MLHJIOFPSA-N 1 0 300.446 3.045 10 0 DGAERO CC(C)c1nnc(CN2CCC[C@H](Nc3ccccc3)C2)n1C ZINC000155090002 197020447 /nfs/dbraw/zinc/02/04/47/197020447.db2.gz FPDKRJYRISOREK-INIZCTEOSA-N 1 0 313.449 3.015 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2C)[C@H](C)C1 ZINC000120369638 195153741 /nfs/dbraw/zinc/15/37/41/195153741.db2.gz OCCGZWOJTFKUPE-NVXWUHKLSA-N 1 0 303.450 3.497 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCc1c[nH]c2c1cccc2C ZINC000120418943 195163484 /nfs/dbraw/zinc/16/34/84/195163484.db2.gz DHDDOGSBCUYBEN-HNNXBMFYSA-N 1 0 315.461 3.255 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2OC)[C@H](C)C1 ZINC000120487682 195176040 /nfs/dbraw/zinc/17/60/40/195176040.db2.gz OOQCUPCUQWOJIM-DOMZBBRYSA-N 1 0 323.412 3.028 10 0 DGAERO c1c(CNc2cccc(C[NH+]3CCCCC3)c2)nc2ncccn12 ZINC000297979043 285271039 /nfs/dbraw/zinc/27/10/39/285271039.db2.gz XXMLFCPHXFUZPS-UHFFFAOYSA-N 1 0 321.428 3.327 10 0 DGAERO CCCn1cc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000120629664 195204397 /nfs/dbraw/zinc/20/43/97/195204397.db2.gz SFWUWNBETQTETJ-ZWKOTPCHSA-N 1 0 318.509 3.380 10 0 DGAERO CN(CC(=O)NC(C)(C)C)Cc1cnc(C2CCCC2)s1 ZINC000120660125 195210851 /nfs/dbraw/zinc/21/08/51/195210851.db2.gz WUYHJDVWAKBAQT-UHFFFAOYSA-N 1 0 309.479 3.147 10 0 DGAERO C[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000120829276 195244941 /nfs/dbraw/zinc/24/49/41/195244941.db2.gz BLIKZLIOFFUADH-HOTGVXAUSA-N 1 0 315.461 3.365 10 0 DGAERO CSc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1F ZINC000120854459 195251397 /nfs/dbraw/zinc/25/13/97/195251397.db2.gz MLRVVMMFFQRBOC-UHFFFAOYSA-N 1 0 324.465 3.398 10 0 DGAERO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000120903540 195261954 /nfs/dbraw/zinc/26/19/54/195261954.db2.gz JOONTNPPBNYGIQ-INIZCTEOSA-N 1 0 320.433 3.064 10 0 DGAERO Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000313624512 285304453 /nfs/dbraw/zinc/30/44/53/285304453.db2.gz OQMBZKRGTHLRRZ-OAHLLOKOSA-N 1 0 312.251 3.494 10 0 DGAERO c1coc(C[N@H+]2CC[C@@H](OCC3CC3)[C@H]2Cc2cccnc2)c1 ZINC000247860941 257116325 /nfs/dbraw/zinc/11/63/25/257116325.db2.gz VZDANAUXTXQWEY-RTBURBONSA-N 1 0 312.413 3.287 10 0 DGAERO CCO[C@@H]1C[C@H](N(C)Cc2nnc(C(C)C)o2)C12CCCC2 ZINC000121141622 195298304 /nfs/dbraw/zinc/29/83/04/195298304.db2.gz RRCPMCAKKUWZLX-UONOGXRCSA-N 1 0 307.438 3.363 10 0 DGAERO CCCC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(OC)cc1 ZINC000121935550 195378006 /nfs/dbraw/zinc/37/80/06/195378006.db2.gz YLGSMWYIADOYSP-UONOGXRCSA-N 1 0 305.340 3.439 10 0 DGAERO CCCn1cc(CN2CCC[N@H+](C[C@H]3CC=CCC3)CC2)cn1 ZINC000121660627 195325431 /nfs/dbraw/zinc/32/54/31/195325431.db2.gz IBJVJSISSRQQGZ-SFHVURJKSA-N 1 0 316.493 3.157 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)o1 ZINC000121715272 195333955 /nfs/dbraw/zinc/33/39/55/195333955.db2.gz MOOCPCUFXQWTML-MRXNPFEDSA-N 1 0 320.458 3.155 10 0 DGAERO CCOc1cccc(C[NH+]2CCC(Cc3nccn3C)CC2)c1 ZINC000121753340 195340012 /nfs/dbraw/zinc/34/00/12/195340012.db2.gz PYJNQCGBUGMESJ-UHFFFAOYSA-N 1 0 313.445 3.274 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000121858509 195362943 /nfs/dbraw/zinc/36/29/43/195362943.db2.gz XANCKMASBGJWHL-LRDDRELGSA-N 1 0 300.406 3.018 10 0 DGAERO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)c1ccc(F)cc1 ZINC000121964728 195382638 /nfs/dbraw/zinc/38/26/38/195382638.db2.gz VEYZOXFOXBJJJS-UHFFFAOYSA-N 1 0 301.365 3.001 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(-c2cccnc2)cc1 ZINC000121965413 195383376 /nfs/dbraw/zinc/38/33/76/195383376.db2.gz IZUHUJBVAUICGR-XHDPSFHLSA-N 1 0 310.319 3.322 10 0 DGAERO COc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000121971415 195383875 /nfs/dbraw/zinc/38/38/75/195383875.db2.gz CNAFNVMOSSFCEP-TZMCWYRMSA-N 1 0 305.340 3.295 10 0 DGAERO CC(C)n1cccc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000122088548 195399759 /nfs/dbraw/zinc/39/97/59/195399759.db2.gz RDQQRXDPPXMUBH-UHFFFAOYSA-N 1 0 317.408 3.200 10 0 DGAERO Cc1cc(Cl)cc(C(=O)Nc2ccc(OCC[NH3+])cc2)c1 ZINC000122467134 195455566 /nfs/dbraw/zinc/45/55/66/195455566.db2.gz FUMOAMBZPKFHSK-UHFFFAOYSA-N 1 0 304.777 3.238 10 0 DGAERO CC[C@H](SC)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000125447696 195750507 /nfs/dbraw/zinc/75/05/07/195750507.db2.gz MQFYTZVPSPSJFZ-INIZCTEOSA-N 1 0 306.475 3.040 10 0 DGAERO Cn1ccnc1[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000127530832 195885730 /nfs/dbraw/zinc/88/57/30/195885730.db2.gz WGNZAFQEILREEY-IBGZPJMESA-N 1 0 324.472 3.257 10 0 DGAERO COc1ccc2cc([C@H](C)[NH2+]CCCn3ccnn3)ccc2c1 ZINC000183147290 533336987 /nfs/dbraw/zinc/33/69/87/533336987.db2.gz VQBKTBLIIORXGJ-AWEZNQCLSA-N 1 0 310.401 3.181 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000184659533 533349117 /nfs/dbraw/zinc/34/91/17/533349117.db2.gz CQKJKXIZTHZDAS-LLVKDONJSA-N 1 0 312.360 3.395 10 0 DGAERO C[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1Br ZINC000154548062 533418855 /nfs/dbraw/zinc/41/88/55/533418855.db2.gz KWDJHXJFUVJSBS-PWSUYJOCSA-N 1 0 315.230 3.333 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(-c2ccccc2)cc1 ZINC000175423487 533435483 /nfs/dbraw/zinc/43/54/83/533435483.db2.gz IQENDGBNVPPALW-UZLBHIALSA-N 1 0 310.441 3.335 10 0 DGAERO COC(=O)[C@]12CCC[C@H]1CN(c1cc(C)[nH+]c3ccccc31)C2 ZINC000302157206 533640654 /nfs/dbraw/zinc/64/06/54/533640654.db2.gz IZOJSGNOXPDYGU-LIRRHRJNSA-N 1 0 310.397 3.323 10 0 DGAERO c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]3CCOC3)C1)CO2 ZINC000467357061 285516524 /nfs/dbraw/zinc/51/65/24/285516524.db2.gz WIWFISRHLZSHSX-HPBDAGMYSA-N 1 0 301.430 3.175 10 0 DGAERO COC(C)(C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000171827342 292046476 /nfs/dbraw/zinc/04/64/76/292046476.db2.gz MCAJMRYGEGVDGF-HNNXBMFYSA-N 1 0 318.461 3.191 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccccc1 ZINC000616114105 400085785 /nfs/dbraw/zinc/08/57/85/400085785.db2.gz PJBUPLNJWOYQFG-NUEKZKHPSA-N 1 0 305.418 3.084 10 0 DGAERO Cc1ccc(C[C@H]2C[NH2+]CC[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000006780203 400095182 /nfs/dbraw/zinc/09/51/82/400095182.db2.gz GZKOIRLLRHQRED-JKSUJKDBSA-N 1 0 304.434 3.040 10 0 DGAERO CCC[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccccn1 ZINC000357835226 285888450 /nfs/dbraw/zinc/88/84/50/285888450.db2.gz OSMRCSRWCFESFJ-WMZOPIPTSA-N 1 0 302.393 3.255 10 0 DGAERO CCOC(=O)c1cccc([C@H]2CCN(CC[NH3+])c3ccccc32)c1 ZINC000616589845 400178892 /nfs/dbraw/zinc/17/88/92/400178892.db2.gz WICFJRKTGAFLHU-QGZVFWFLSA-N 1 0 324.424 3.164 10 0 DGAERO CCOC(=O)c1cccc([C@@H]2CCc3ccccc3N2CC[NH3+])c1 ZINC000616592807 400179930 /nfs/dbraw/zinc/17/99/30/400179930.db2.gz IFBCVASWLOMZOK-IBGZPJMESA-N 1 0 324.424 3.316 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1ccc2ccnnc2c1 ZINC000616596057 400180265 /nfs/dbraw/zinc/18/02/65/400180265.db2.gz PPGIGXJQJOPKCO-IBGZPJMESA-N 1 0 304.397 3.082 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1cc2ccccc2nn1 ZINC000616596432 400180478 /nfs/dbraw/zinc/18/04/78/400180478.db2.gz USXXKEFGRDYHOX-IBGZPJMESA-N 1 0 304.397 3.082 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2ccc3ccccc3n2)cc1 ZINC000616635399 400189001 /nfs/dbraw/zinc/18/90/01/400189001.db2.gz AFGQDPGRDILQER-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO [NH3+]CCN1C[C@H](c2cccc3ccncc32)Cc2ccccc21 ZINC000616594158 400180514 /nfs/dbraw/zinc/18/05/14/400180514.db2.gz UAFUDEMAYQLHKB-QGZVFWFLSA-N 1 0 303.409 3.340 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cncc2ccccc21 ZINC000616603141 400181153 /nfs/dbraw/zinc/18/11/53/400181153.db2.gz FICBAGVPEOTYHD-INIZCTEOSA-N 1 0 313.401 3.116 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2COCC[N@H+](C)C2)cc1 ZINC000616599443 400181909 /nfs/dbraw/zinc/18/19/09/400181909.db2.gz YMYQJCAPGGAYSM-HNNXBMFYSA-N 1 0 320.433 3.104 10 0 DGAERO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000328656523 400184216 /nfs/dbraw/zinc/18/42/16/400184216.db2.gz ZJUKJUOXIVQJDP-QEJZJMRPSA-N 1 0 310.417 3.019 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H]1c1ccncc1 ZINC000616616208 400185398 /nfs/dbraw/zinc/18/53/98/400185398.db2.gz LIZPAOJHXNUOKK-HNNXBMFYSA-N 1 0 305.422 3.133 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1c1cccc(I)c1 ZINC000306214688 400123919 /nfs/dbraw/zinc/12/39/19/400123919.db2.gz NOXWJEZGHXBOJI-BXKDBHETSA-N 1 0 301.171 3.004 10 0 DGAERO C[C@]([NH3+])(C(=O)N(Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000306888996 400126895 /nfs/dbraw/zinc/12/68/95/400126895.db2.gz SMQUQUUURZVPAI-HXUWFJFHSA-N 1 0 308.425 3.343 10 0 DGAERO Cc1nc([C@@]2(N)CC[N@@H+](Cc3ccccc3)[C@@H]2C)sc1C ZINC000306843296 400127370 /nfs/dbraw/zinc/12/73/70/400127370.db2.gz GEMBUVACVOYISG-RHSMWYFYSA-N 1 0 301.459 3.208 10 0 DGAERO C[C@@](C[NH3+])([C@@H]1CCOC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000306948745 400127738 /nfs/dbraw/zinc/12/77/38/400127738.db2.gz AAPXMHFNBYDJPZ-NHCUHLMSSA-N 1 0 324.468 3.443 10 0 DGAERO [NH3+]C[C@@H]1C[C@H]1c1cc(Br)cc(Br)c1 ZINC000307223423 400128692 /nfs/dbraw/zinc/12/86/92/400128692.db2.gz KCHGZGSYCMVIIZ-XVKPBYJWSA-N 1 0 305.013 3.274 10 0 DGAERO c1coc([C@H]2CC[N@@H+](CCOCCOc3ccccc3)C2)c1 ZINC000600695736 400132849 /nfs/dbraw/zinc/13/28/49/400132849.db2.gz ZAYAGKOMTJXUQZ-INIZCTEOSA-N 1 0 301.386 3.165 10 0 DGAERO C[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000310734088 400134802 /nfs/dbraw/zinc/13/48/02/400134802.db2.gz DCQDMQWIYSFUEN-UHFFFAOYSA-N 1 0 323.156 3.220 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3cnc4ccccc4c3)C2)cc1 ZINC000616631837 400188112 /nfs/dbraw/zinc/18/81/12/400188112.db2.gz GNFWMTPZHVJRSQ-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CC[N@@H+]1CCN[C@@H](c2ccc(N(C)C(=O)OC(C)(C)C)cc2)C1 ZINC000616632371 400188139 /nfs/dbraw/zinc/18/81/39/400188139.db2.gz OUCPHHFKIBCOIP-MRXNPFEDSA-N 1 0 319.449 3.024 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2ccncc2)CC1 ZINC000616630471 400188421 /nfs/dbraw/zinc/18/84/21/400188421.db2.gz YPIISHTUVWXWFA-HNNXBMFYSA-N 1 0 319.449 3.176 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2COCCN2C)c1 ZINC000616642041 400191147 /nfs/dbraw/zinc/19/11/47/400191147.db2.gz TWWKOIWIXOOMMD-HNNXBMFYSA-N 1 0 306.406 3.061 10 0 DGAERO C[N@@H+]1CCCO[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616651189 400192761 /nfs/dbraw/zinc/19/27/61/400192761.db2.gz ATTGMDZLHGRRBL-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO OCCc1ccc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000616662120 400195858 /nfs/dbraw/zinc/19/58/58/400195858.db2.gz ASUCZPMZCQNAMJ-HXUWFJFHSA-N 1 0 311.425 3.185 10 0 DGAERO OCCc1cccc([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)c1 ZINC000616662857 400196852 /nfs/dbraw/zinc/19/68/52/400196852.db2.gz AVAGXLNAVMNOJQ-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1cccc2nnccc21 ZINC000616668756 400196946 /nfs/dbraw/zinc/19/69/46/400196946.db2.gz FMZZDYGJLLJODO-IBGZPJMESA-N 1 0 304.397 3.082 10 0 DGAERO C[C@H]1C[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000588178532 400197428 /nfs/dbraw/zinc/19/74/28/400197428.db2.gz XUVDTQHSMIWRTM-GWCFXTLKSA-N 1 0 308.219 3.471 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000588178535 400197789 /nfs/dbraw/zinc/19/77/89/400197789.db2.gz XUVDTQHSMIWRTM-ZWNOBZJWSA-N 1 0 308.219 3.471 10 0 DGAERO C[C@@H]1C[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000588178534 400197810 /nfs/dbraw/zinc/19/78/10/400197810.db2.gz XUVDTQHSMIWRTM-MFKMUULPSA-N 1 0 308.219 3.471 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1ccc2cccnc2c1 ZINC000616679882 400202039 /nfs/dbraw/zinc/20/20/39/400202039.db2.gz ZTGNQBNJMYSSMT-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO C[N@@H+]1CCO[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000616686970 400204596 /nfs/dbraw/zinc/20/45/96/400204596.db2.gz NJLYOGWLDTZGLZ-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1nn(C)c2ccccc12 ZINC000390645121 400271420 /nfs/dbraw/zinc/27/14/20/400271420.db2.gz PBLDAPAPWOLNGX-HNNXBMFYSA-N 1 0 309.413 3.268 10 0 DGAERO CC(C)(C)OC(=O)N([C@@H](C(=[NH2+])NO)c1ccc(F)cc1)C1CC1 ZINC000409441623 400301466 /nfs/dbraw/zinc/30/14/66/400301466.db2.gz QBSWDZGRDQVGOL-CYBMUJFWSA-N 1 0 323.368 3.222 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1ccc(F)c(F)c1 ZINC000102687679 400303114 /nfs/dbraw/zinc/30/31/14/400303114.db2.gz FPHQJLSSUSDLED-LBPRGKRZSA-N 1 0 310.388 3.312 10 0 DGAERO CCc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000105081649 400318599 /nfs/dbraw/zinc/31/85/99/400318599.db2.gz OUPUBWUDEUHOTP-CRAIPNDOSA-N 1 0 315.461 3.190 10 0 DGAERO Clc1ccc(C2(CNC3=[NH+]CCCN3)CCC2)c(Cl)c1 ZINC000093882570 400261711 /nfs/dbraw/zinc/26/17/11/400261711.db2.gz NNFHSGQKHOYBAA-UHFFFAOYSA-N 1 0 312.244 3.354 10 0 DGAERO C[NH2+]Cc1ccc(NC(=O)c2coc(Br)c2)cc1 ZINC000385992460 400262400 /nfs/dbraw/zinc/26/24/00/400262400.db2.gz PZCIBCXVTVJERR-UHFFFAOYSA-N 1 0 309.163 3.014 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]CCCOC(C)C)c1ccccc1 ZINC000611405773 400394601 /nfs/dbraw/zinc/39/46/01/400394601.db2.gz QCOHTQHVMGKOTN-MRXNPFEDSA-N 1 0 307.434 3.332 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106904712 400332403 /nfs/dbraw/zinc/33/24/03/400332403.db2.gz DRQSXBAYGCBSKV-VQIMIIECSA-N 1 0 310.441 3.345 10 0 DGAERO Cn1cc(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)cn1 ZINC000069786542 400343712 /nfs/dbraw/zinc/34/37/12/400343712.db2.gz WQGZITKXENSJQH-UHFFFAOYSA-N 1 0 321.424 3.331 10 0 DGAERO C[C@H]1C[C@@H](c2cc(Br)c(Br)o2)C[NH2+]1 ZINC000070586641 400353742 /nfs/dbraw/zinc/35/37/42/400353742.db2.gz QDNHBMMATQZODG-NTSWFWBYSA-N 1 0 309.001 3.270 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C)[NH+]2CCCC2)o1 ZINC000112450014 400373418 /nfs/dbraw/zinc/37/34/18/400373418.db2.gz BFEQDIGBBNHRNM-HUUCEWRRSA-N 1 0 321.465 3.459 10 0 DGAERO CC(=[NH2+])Nc1ccc2nc(-c3ccc4c(c3)OCCO4)ncc2c1 ZINC000116993741 400413864 /nfs/dbraw/zinc/41/38/64/400413864.db2.gz KBCNXONFPKGUKG-UHFFFAOYSA-N 1 0 320.352 3.477 10 0 DGAERO Fc1cc(F)cc([C@H]2C[NH2+]C[C@H](COCc3ccncc3)C2)c1 ZINC000038410584 400395761 /nfs/dbraw/zinc/39/57/61/400395761.db2.gz SRLSFSNXOCKBFT-GDBMZVCRSA-N 1 0 318.367 3.270 10 0 DGAERO CN1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000040672892 400402077 /nfs/dbraw/zinc/40/20/77/400402077.db2.gz KXEYTUMSTMDWHO-GFCCVEGCSA-N 1 0 304.768 3.125 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116180758 400407583 /nfs/dbraw/zinc/40/75/83/400407583.db2.gz NVWXNDVOQVREIV-HZSPNIEDSA-N 1 0 324.415 3.161 10 0 DGAERO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1cc(Cl)ccn1 ZINC000117726220 400420872 /nfs/dbraw/zinc/42/08/72/400420872.db2.gz RSLLGABDWQMWBJ-GFCCVEGCSA-N 1 0 301.777 3.064 10 0 DGAERO COc1cccc(CCC[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000119291814 400435616 /nfs/dbraw/zinc/43/56/16/400435616.db2.gz HGMOMNZTRQIJLU-SFHVURJKSA-N 1 0 313.445 3.470 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000120513193 400446171 /nfs/dbraw/zinc/44/61/71/400446171.db2.gz VKDTULYYRFOHTG-AWEZNQCLSA-N 1 0 300.377 3.101 10 0 DGAERO C(c1nnc(C2CC2)o1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590819425 400441736 /nfs/dbraw/zinc/44/17/36/400441736.db2.gz AVFKQRVCRVFACE-OAHLLOKOSA-N 1 0 318.465 3.035 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ncccn2)cc1 ZINC000073387225 400447883 /nfs/dbraw/zinc/44/78/83/400447883.db2.gz LGSPMVLHNBHDEA-ZIAGYGMSSA-N 1 0 312.417 3.278 10 0 DGAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCc1cccc2ccccc21 ZINC000124505085 400477000 /nfs/dbraw/zinc/47/70/00/400477000.db2.gz IUDBLZIGIYLYCD-MAUKXSAKSA-N 1 0 310.441 3.358 10 0 DGAERO CN(C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000073903208 400477486 /nfs/dbraw/zinc/47/74/86/400477486.db2.gz HYKBAZGWJHGLPS-KRWDZBQOSA-N 1 0 315.461 3.093 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C[C@H]2CCCCO2)C2CC2)c1 ZINC000045784059 400535587 /nfs/dbraw/zinc/53/55/87/400535587.db2.gz KBJFJAHBARVTNI-QGZVFWFLSA-N 1 0 305.418 3.237 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]Cc3ccc4cccnc4c3)cc2)n1 ZINC000591705145 400550955 /nfs/dbraw/zinc/55/09/55/400550955.db2.gz IHRXLRLPSFDIFG-UHFFFAOYSA-N 1 0 315.380 3.105 10 0 DGAERO OC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000142703866 400630624 /nfs/dbraw/zinc/63/06/24/400630624.db2.gz CLKFRQPIDOAMAZ-OAHLLOKOSA-N 1 0 303.352 3.200 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000076057374 400630944 /nfs/dbraw/zinc/63/09/44/400630944.db2.gz YOCWZXCUCALHLH-WQVCFCJDSA-N 1 0 321.852 3.185 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135161817 400584652 /nfs/dbraw/zinc/58/46/52/400584652.db2.gz IACUYHDPOBKCQX-VXGBXAGGSA-N 1 0 318.642 3.496 10 0 DGAERO C[C@@H]([NH3+])[C@@H](Cc1ccc(Cl)cc1)n1nnc2ccccc21 ZINC000138231062 400597730 /nfs/dbraw/zinc/59/77/30/400597730.db2.gz MCIJMQJTTHRCQC-BDJLRTHQSA-N 1 0 300.793 3.216 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[NH2+][C@H]2c2ccccc2)CC1 ZINC000144575596 400641767 /nfs/dbraw/zinc/64/17/67/400641767.db2.gz XADFLPGUIOSWMA-HNNXBMFYSA-N 1 0 302.418 3.348 10 0 DGAERO CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CC[NH2+]3)CC(=O)[C@H]1C ZINC000146438436 400649338 /nfs/dbraw/zinc/64/93/38/400649338.db2.gz DNWDGWIQGYKKDF-HMLLOCTESA-N 1 0 313.441 3.102 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618664434 400659150 /nfs/dbraw/zinc/65/91/50/400659150.db2.gz SRNANAXCGYFIMA-RDJZCZTQSA-N 1 0 322.493 3.295 10 0 DGAERO CCc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)ncn1 ZINC000603390747 400679541 /nfs/dbraw/zinc/67/95/41/400679541.db2.gz JLVQGYJXIQXRNY-MRXNPFEDSA-N 1 0 302.466 3.131 10 0 DGAERO c1csc(C[NH+]2CCN(c3ncnc4ccccc43)CC2)c1 ZINC000052719150 400744032 /nfs/dbraw/zinc/74/40/32/400744032.db2.gz VYNFZDAWAGECGV-UHFFFAOYSA-N 1 0 310.426 3.014 10 0 DGAERO CCOc1ccccc1CCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000052834775 400748493 /nfs/dbraw/zinc/74/84/93/400748493.db2.gz DOLCNZYMODRKIJ-UHFFFAOYSA-N 1 0 320.477 3.253 10 0 DGAERO c1cnc2cc(C[NH2+]Cc3cccc4c3OCCO4)ccc2c1 ZINC000603518078 400697188 /nfs/dbraw/zinc/69/71/88/400697188.db2.gz PCFNKRQNDSOPIX-UHFFFAOYSA-N 1 0 306.365 3.296 10 0 DGAERO CC[C@@H](NC(=O)NCC[NH+](C(C)C)C(C)C)c1nccs1 ZINC000155108015 400700734 /nfs/dbraw/zinc/70/07/34/400700734.db2.gz SVYHERAGGUCAGC-CYBMUJFWSA-N 1 0 312.483 3.012 10 0 DGAERO C[NH+](C)C1CCN(C(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000171774861 400806736 /nfs/dbraw/zinc/80/67/36/400806736.db2.gz OXBJXFMZABGQKB-UHFFFAOYSA-N 1 0 312.417 3.035 10 0 DGAERO CCc1ccc(CC[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000604383696 400771368 /nfs/dbraw/zinc/77/13/68/400771368.db2.gz DKKOHEGGCFQCJW-HXUWFJFHSA-N 1 0 322.452 3.355 10 0 DGAERO Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864572 400777759 /nfs/dbraw/zinc/77/77/59/400777759.db2.gz AUARLILWWUGSNO-LBPRGKRZSA-N 1 0 306.406 3.125 10 0 DGAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)n1C1CCCCC1 ZINC000170857326 400777987 /nfs/dbraw/zinc/77/79/87/400777987.db2.gz KXDREQDSWXISKE-QGZVFWFLSA-N 1 0 317.477 3.386 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000170863498 400777998 /nfs/dbraw/zinc/77/79/98/400777998.db2.gz OPTXPGHMCFUYMP-INIZCTEOSA-N 1 0 314.454 3.094 10 0 DGAERO COC(=O)c1cccc(C[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000054323487 400819334 /nfs/dbraw/zinc/81/93/34/400819334.db2.gz DCTZTRFPGBMXAN-UHFFFAOYSA-N 1 0 305.418 3.110 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000171176405 400788595 /nfs/dbraw/zinc/78/85/95/400788595.db2.gz ILLTZXAIKYGLOG-OAHLLOKOSA-N 1 0 319.449 3.392 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079516388 400872058 /nfs/dbraw/zinc/87/20/58/400872058.db2.gz XDVXBHCQHNQYNV-AWEZNQCLSA-N 1 0 301.217 3.094 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605690339 400883388 /nfs/dbraw/zinc/88/33/88/400883388.db2.gz MLXGRBPHDRGYTQ-YXJHDRRASA-N 1 0 318.436 3.405 10 0 DGAERO C[C@H](C1CC1)N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078953666 400835677 /nfs/dbraw/zinc/83/56/77/400835677.db2.gz IRCWXIXPQFQATI-OAHLLOKOSA-N 1 0 315.461 3.222 10 0 DGAERO CC[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1nccs1 ZINC000080269116 400937356 /nfs/dbraw/zinc/93/73/56/400937356.db2.gz XIJKCAVAECBUMV-KGLIPLIRSA-N 1 0 303.431 3.191 10 0 DGAERO COC[C@@H](C)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000189556503 400909478 /nfs/dbraw/zinc/90/94/78/400909478.db2.gz DWSUWZGUAFYWFU-ZDUSSCGKSA-N 1 0 310.413 3.147 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCCc2occc21 ZINC000193059706 400916552 /nfs/dbraw/zinc/91/65/52/400916552.db2.gz OYDQWDMQNBKCBJ-DYVFJYSZSA-N 1 0 323.396 3.045 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)N(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080167392 400928808 /nfs/dbraw/zinc/92/88/08/400928808.db2.gz CIIZYHBEODMVRB-WBVHZDCISA-N 1 0 315.461 3.233 10 0 DGAERO CCC[C@H]1CC(=O)C[C@]23CC[NH2+][C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000080171025 400930227 /nfs/dbraw/zinc/93/02/27/400930227.db2.gz TXUNSXBKEUTJBI-WEFJBSGNSA-N 1 0 313.441 3.246 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1C ZINC000629583513 400983857 /nfs/dbraw/zinc/98/38/57/400983857.db2.gz BINHAQIHAZJSMY-BGYRXZFFSA-N 1 0 314.473 3.246 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000246166527 401021016 /nfs/dbraw/zinc/02/10/16/401021016.db2.gz BTZNBIRWIUWZNP-VKJFTORMSA-N 1 0 315.461 3.126 10 0 DGAERO c1ccc(CC2CC[NH+](CCOC3CCOCC3)CC2)cc1 ZINC000625047063 401015578 /nfs/dbraw/zinc/01/55/78/401015578.db2.gz FMXMPOSXNAZEAK-UHFFFAOYSA-N 1 0 303.446 3.137 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(C(C)(C)C)cs1 ZINC000245972816 401017701 /nfs/dbraw/zinc/01/77/01/401017701.db2.gz FXMCCOAWGISJNI-KGLIPLIRSA-N 1 0 307.507 3.499 10 0 DGAERO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000232307305 400972343 /nfs/dbraw/zinc/97/23/43/400972343.db2.gz FKQWXOZNIIMASJ-KCJUWKMLSA-N 1 0 302.205 3.337 10 0 DGAERO C[NH+]1CCC(C)(CNc2ncc(Br)cc2F)CC1 ZINC000234319148 400974624 /nfs/dbraw/zinc/97/46/24/400974624.db2.gz SSGMFTCJXUOODR-UHFFFAOYSA-N 1 0 316.218 3.127 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1C ZINC000247270055 401049139 /nfs/dbraw/zinc/04/91/39/401049139.db2.gz RFEMSWNJGFDNBK-IRXDYDNUSA-N 1 0 315.461 3.244 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000247484672 401056610 /nfs/dbraw/zinc/05/66/10/401056610.db2.gz TVJMIBORTKWYRY-NJAFHUGGSA-N 1 0 306.494 3.439 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cc(F)ccc2F)[C@@H](C)C1 ZINC000247482936 401056666 /nfs/dbraw/zinc/05/66/66/401056666.db2.gz SWXGNHACKIDWSZ-GUYCJALGSA-N 1 0 324.415 3.086 10 0 DGAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H](O)C(F)(F)F ZINC000358213962 285999223 /nfs/dbraw/zinc/99/92/23/285999223.db2.gz CPBZBTKYSVIJHD-RYUDHWBXSA-N 1 0 323.742 3.375 10 0 DGAERO c1cn(Cc2ccc(-c3cccc([C@@H]4COCC[NH2+]4)c3)cc2)cn1 ZINC000629742795 401073615 /nfs/dbraw/zinc/07/36/15/401073615.db2.gz XTTKRBQUYDDXSI-FQEVSTJZSA-N 1 0 319.408 3.259 10 0 DGAERO CC[C@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C)cc1 ZINC000247064753 401044636 /nfs/dbraw/zinc/04/46/36/401044636.db2.gz MHDUCQNXCZYBDV-AEFFLSMTSA-N 1 0 300.446 3.185 10 0 DGAERO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000247184950 401047346 /nfs/dbraw/zinc/04/73/46/401047346.db2.gz ZJRBCYZRAFWTDF-MDZRGWNJSA-N 1 0 313.441 3.380 10 0 DGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000607652570 401101400 /nfs/dbraw/zinc/10/14/00/401101400.db2.gz XIXCEAAHAJGJMY-IJEWVQPXSA-N 1 0 322.399 3.059 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cc(Cl)ccc23)CC[N@@H+]1C ZINC000607689691 401103975 /nfs/dbraw/zinc/10/39/75/401103975.db2.gz ITRVLVORJZGVPC-ZYHUDNBSSA-N 1 0 305.809 3.034 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000262622294 401119368 /nfs/dbraw/zinc/11/93/68/401119368.db2.gz OJZNUPWOEQIWKQ-IHRRRGAJSA-N 1 0 322.424 3.037 10 0 DGAERO CC(C)N(C)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262671071 401120341 /nfs/dbraw/zinc/12/03/41/401120341.db2.gz OAQGOQFTTDCGPA-QGTPRVQTSA-N 1 0 315.461 3.390 10 0 DGAERO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@H](O)C(F)(F)F)CCCO2 ZINC000358226422 286003666 /nfs/dbraw/zinc/00/36/66/286003666.db2.gz SWLZGMAJELJHAX-RYUDHWBXSA-N 1 0 323.742 3.375 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@H](NC(=O)c3cccc(Cl)c3)CCC[C@@H]2C1 ZINC000253664467 401100483 /nfs/dbraw/zinc/10/04/83/401100483.db2.gz JURJKXLIZOFODL-FVQBIDKESA-N 1 0 306.837 3.190 10 0 DGAERO C[C@H](C(=O)NCCCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000607907706 401148303 /nfs/dbraw/zinc/14/83/03/401148303.db2.gz HIVHQGLEQCSNDN-LBPRGKRZSA-N 1 0 316.367 3.267 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000615795758 401154345 /nfs/dbraw/zinc/15/43/45/401154345.db2.gz KQJPAGFGHYUJNJ-JKSUJKDBSA-N 1 0 305.418 3.086 10 0 DGAERO c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358236600 286007127 /nfs/dbraw/zinc/00/71/27/286007127.db2.gz AKBZNZAZULNGSU-KRWDZBQOSA-N 1 0 309.413 3.400 10 0 DGAERO C[C@@H](C(=O)NC[C@H]1C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600005912 401168781 /nfs/dbraw/zinc/16/87/81/401168781.db2.gz FLXVFFYRRGJPQV-JTDSTZFVSA-N 1 0 314.473 3.102 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000358295515 286023288 /nfs/dbraw/zinc/02/32/88/286023288.db2.gz JTULDJLXDQFMDZ-WCQYABFASA-N 1 0 317.401 3.319 10 0 DGAERO COc1nsc(C[NH2+][C@@]23C[C@@H]2CCCC3)c1Br ZINC000630072616 401176970 /nfs/dbraw/zinc/17/69/70/401176970.db2.gz HINSGVOCAAUTKY-UFBFGSQYSA-N 1 0 317.252 3.337 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000608226287 401210387 /nfs/dbraw/zinc/21/03/87/401210387.db2.gz LYUSCACTUWNVJU-CYBMUJFWSA-N 1 0 319.836 3.378 10 0 DGAERO Brc1cnccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778833 401213565 /nfs/dbraw/zinc/21/35/65/401213565.db2.gz QESLZPIGZKYXSY-NEPJUHHUSA-N 1 0 313.264 3.314 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000625775828 401214054 /nfs/dbraw/zinc/21/40/54/401214054.db2.gz VQSHDAJSUQSBCC-SJORKVTESA-N 1 0 307.459 3.052 10 0 DGAERO CCn1nc(C)c([C@H](C)[NH2+]CCSCC(F)(F)F)c1C ZINC000358329056 286033203 /nfs/dbraw/zinc/03/32/03/286033203.db2.gz NCBIOVYAJBHKIA-VIFPVBQESA-N 1 0 309.401 3.466 10 0 DGAERO [NH3+]C1(CNC(=O)c2cscc2C(F)(F)F)CCCCC1 ZINC000621620113 401263078 /nfs/dbraw/zinc/26/30/78/401263078.db2.gz RBSCICZPFKAQCX-UHFFFAOYSA-N 1 0 306.353 3.158 10 0 DGAERO c1cc(-c2noc(C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)n2)co1 ZINC000608498723 401263750 /nfs/dbraw/zinc/26/37/50/401263750.db2.gz KTNGXKONBYNSHF-HNNXBMFYSA-N 1 0 317.389 3.253 10 0 DGAERO CC(C)C1CC[NH+](Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000608499381 401264185 /nfs/dbraw/zinc/26/41/85/401264185.db2.gz LAQDJSJEOCQEPP-UHFFFAOYSA-N 1 0 304.463 3.412 10 0 DGAERO O[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000090250655 401264728 /nfs/dbraw/zinc/26/47/28/401264728.db2.gz OOCKDYXTIRCHQN-RYUDHWBXSA-N 1 0 318.642 3.496 10 0 DGAERO CCOCCC1(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC000121034984 286040108 /nfs/dbraw/zinc/04/01/08/286040108.db2.gz UDJZMJYMYMKGPK-QGZVFWFLSA-N 1 0 322.493 3.060 10 0 DGAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000090773365 401273750 /nfs/dbraw/zinc/27/37/50/401273750.db2.gz KOJLTIQCQYYDKG-LBUQITIBSA-N 1 0 322.518 3.195 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)nc(C)c2)c2ccccc21 ZINC000621764224 401297819 /nfs/dbraw/zinc/29/78/19/401297819.db2.gz BKBDFUOUKCCYJU-GOSISDBHSA-N 1 0 309.413 3.286 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(Cl)s1 ZINC000634951069 401386769 /nfs/dbraw/zinc/38/67/69/401386769.db2.gz LWGJNNCVDFKBOG-ZJUUUORDSA-N 1 0 307.868 3.019 10 0 DGAERO C[C@@H](O)C(C)(C)[NH2+]Cc1cccc(Br)c1Cl ZINC000631100867 401393946 /nfs/dbraw/zinc/39/39/46/401393946.db2.gz DVDYBCIYWVAQRE-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO CSc1ccc([C@@H](C)[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634979868 401394420 /nfs/dbraw/zinc/39/44/20/401394420.db2.gz QJGGLXAYIBNJHH-OCCSQVGLSA-N 1 0 313.488 3.026 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)n(CC2CCC2)n1 ZINC000631149978 401409092 /nfs/dbraw/zinc/40/90/92/401409092.db2.gz QHRPBRZCMTWHFJ-MRXNPFEDSA-N 1 0 303.450 3.122 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000631252767 401438427 /nfs/dbraw/zinc/43/84/27/401438427.db2.gz CYKPSFNCSAIXAF-MOPGFXCFSA-N 1 0 311.429 3.310 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000631252768 401438684 /nfs/dbraw/zinc/43/86/84/401438684.db2.gz CYKPSFNCSAIXAF-OALUTQOASA-N 1 0 311.429 3.310 10 0 DGAERO C([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)c1nc2c(s1)CCCC2 ZINC000631256734 401439242 /nfs/dbraw/zinc/43/92/42/401439242.db2.gz WMWXKHSKRPUHDL-YOEHRIQHSA-N 1 0 306.475 3.459 10 0 DGAERO c1cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)n(CC2CCC2)n1 ZINC000631256975 401439555 /nfs/dbraw/zinc/43/95/55/401439555.db2.gz YKJGKCNMNIQFEH-ROUUACIJSA-N 1 0 303.450 3.121 10 0 DGAERO C/C(=C/c1ccccc1)CN(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627129712 401447315 /nfs/dbraw/zinc/44/73/15/401447315.db2.gz RBNDEZMUDJIBQS-AKMXKPQHSA-N 1 0 313.445 3.016 10 0 DGAERO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000631300578 401448062 /nfs/dbraw/zinc/44/80/62/401448062.db2.gz HLTMONIOESLGPB-ZDUSSCGKSA-N 1 0 311.414 3.026 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2cccc(Cl)c2F)CC1 ZINC000358444021 286064890 /nfs/dbraw/zinc/06/48/90/286064890.db2.gz WBRNAHSIMZHJNK-UHFFFAOYSA-N 1 0 311.788 3.253 10 0 DGAERO c1nn(-c2cc[nH+]cc2)cc1N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000631611539 401514501 /nfs/dbraw/zinc/51/45/01/401514501.db2.gz WEGQXWZYSIRHEU-ULQDDVLXSA-N 1 0 310.401 3.027 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(Br)cc1 ZINC000631697308 401539234 /nfs/dbraw/zinc/53/92/34/401539234.db2.gz XFYIIHUDHZOAQW-LDYMZIIASA-N 1 0 308.166 3.116 10 0 DGAERO Clc1cnccc1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000623466924 401524521 /nfs/dbraw/zinc/52/45/21/401524521.db2.gz QPPKMOIJSYCUGR-ZDUSSCGKSA-N 1 0 312.866 3.269 10 0 DGAERO COC[C@@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)OC ZINC000358437185 286062600 /nfs/dbraw/zinc/06/26/00/286062600.db2.gz FDAUHNRQELUNNF-HUUCEWRRSA-N 1 0 317.351 3.408 10 0 DGAERO C([NH2+]C[C@H]1CCN1C1CCCC1)c1nc2c(s1)CCCC2 ZINC000623728704 401572593 /nfs/dbraw/zinc/57/25/93/401572593.db2.gz XRLWWWSSQMXKTN-CQSZACIVSA-N 1 0 305.491 3.128 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000623753260 401576364 /nfs/dbraw/zinc/57/63/64/401576364.db2.gz UZYOJFUMXZVNNM-QUCCMNQESA-N 1 0 324.424 3.318 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)c2)cn1 ZINC000628423036 401595273 /nfs/dbraw/zinc/59/52/73/401595273.db2.gz ZGEBERDSOCAUJM-KGLIPLIRSA-N 1 0 305.472 3.404 10 0 DGAERO OC(C[NH2+]Cc1ccsc1C(F)(F)F)(C1CC1)C1CC1 ZINC000623571390 401548890 /nfs/dbraw/zinc/54/88/90/401548890.db2.gz UZBMNKCTIGWQHL-UHFFFAOYSA-N 1 0 305.365 3.408 10 0 DGAERO Cc1nc(C)c(C[NH2+]CCc2ccc(Br)cc2)o1 ZINC000628216405 401552219 /nfs/dbraw/zinc/55/22/19/401552219.db2.gz MHEJPPGXUSJSGD-UHFFFAOYSA-N 1 0 309.207 3.386 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000624222886 401641075 /nfs/dbraw/zinc/64/10/75/401641075.db2.gz ITPDYLRNBYYJRQ-BPAFIMBUSA-N 1 0 323.440 3.407 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(Cl)cc1Cl ZINC000624235648 401642484 /nfs/dbraw/zinc/64/24/84/401642484.db2.gz NQMWUWJLWZETRL-MELADBBJSA-N 1 0 304.217 3.184 10 0 DGAERO c1csc(CC2C[NH+](Cc3cccc4c3OCCO4)C2)c1 ZINC000628478807 401604244 /nfs/dbraw/zinc/60/42/44/401604244.db2.gz QBDRAFYVRZWVKA-UHFFFAOYSA-N 1 0 301.411 3.194 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C1 ZINC000624056087 401619762 /nfs/dbraw/zinc/61/97/62/401619762.db2.gz XKZZEJCGUJZDLJ-SJORKVTESA-N 1 0 318.420 3.366 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)C1 ZINC000624310366 401649334 /nfs/dbraw/zinc/64/93/34/401649334.db2.gz AOFQWFXMOYRBIQ-XWTMOSNGSA-N 1 0 303.446 3.385 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)C1 ZINC000624310364 401649336 /nfs/dbraw/zinc/64/93/36/401649336.db2.gz AOFQWFXMOYRBIQ-XDNAFOTISA-N 1 0 303.446 3.385 10 0 DGAERO Cc1scc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000358556928 286092687 /nfs/dbraw/zinc/09/26/87/286092687.db2.gz VOCUKPJJSUNIIV-CHWSQXEVSA-N 1 0 308.491 3.463 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccccc2)C[C@H]1C ZINC000358788192 286154217 /nfs/dbraw/zinc/15/42/17/286154217.db2.gz MUBNNDINZDJITK-NUJGCVRESA-N 1 0 302.462 3.196 10 0 DGAERO C[C@@H](CSc1nnc(-c2ccccc2Cl)n1C)[NH+](C)C ZINC000358850873 286169255 /nfs/dbraw/zinc/16/92/55/286169255.db2.gz GXWYNDXCISWPDU-JTQLQIEISA-N 1 0 310.854 3.178 10 0 DGAERO Cc1ccc(-n2cnnc2SC[C@H](C)[NH+](C)C)cc1Cl ZINC000358879541 286175962 /nfs/dbraw/zinc/17/59/62/286175962.db2.gz OXMNKUZTFKGHRW-NSHDSACASA-N 1 0 310.854 3.271 10 0 DGAERO COc1cccc(CC[NH2+][C@H]2CCCOc3cc(F)ccc32)n1 ZINC000359234680 286266345 /nfs/dbraw/zinc/26/63/45/286266345.db2.gz TXQMYBGFVWQELN-INIZCTEOSA-N 1 0 316.376 3.275 10 0 DGAERO Cc1ccc([C@H](C[NH2+]C[C@@H]2CC=CCC2)N2CCOCC2)s1 ZINC000122347064 292254750 /nfs/dbraw/zinc/25/47/50/292254750.db2.gz IEWKHMHIVGGFQF-SJORKVTESA-N 1 0 320.502 3.376 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000359377198 286295990 /nfs/dbraw/zinc/29/59/90/286295990.db2.gz XZQOSBOQIQNDOQ-IBGZPJMESA-N 1 0 318.436 3.433 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2csc(CC(C)C)n2)CC1 ZINC000359468104 286314816 /nfs/dbraw/zinc/31/48/16/286314816.db2.gz CCUVZWDZJCNBSR-UHFFFAOYSA-N 1 0 323.506 3.193 10 0 DGAERO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cccc(O)c1 ZINC000359533712 286329048 /nfs/dbraw/zinc/32/90/48/286329048.db2.gz QINCNJYHGMTZBV-UHFFFAOYSA-N 1 0 304.434 3.167 10 0 DGAERO COc1cc2c(cc1F)[nH+]ccc2N1CCO[C@@H](C(C)C)C1 ZINC000359559578 286335754 /nfs/dbraw/zinc/33/57/54/286335754.db2.gz QDOHJORVFOQGHR-QGZVFWFLSA-N 1 0 304.365 3.244 10 0 DGAERO COc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c(C)c1 ZINC000186959605 286332587 /nfs/dbraw/zinc/33/25/87/286332587.db2.gz AGBRWLPISUJTSC-OAHLLOKOSA-N 1 0 319.449 3.390 10 0 DGAERO COc1ccc(OC)c([C@H]2CCCN2CC[NH+]2CCCCC2)c1 ZINC000248244646 286344194 /nfs/dbraw/zinc/34/41/94/286344194.db2.gz LDACBNHZJNOYAK-GOSISDBHSA-N 1 0 318.461 3.327 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000359580182 286340930 /nfs/dbraw/zinc/34/09/30/286340930.db2.gz UYGWMHVFNMOPTD-ZFWWWQNUSA-N 1 0 324.852 3.098 10 0 DGAERO CC(=O)N1CCC([NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000359623247 286349263 /nfs/dbraw/zinc/34/92/63/286349263.db2.gz ZZCWAGXAWAGZEH-SFHVURJKSA-N 1 0 316.445 3.118 10 0 DGAERO Cc1nnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1C ZINC000359606332 286345787 /nfs/dbraw/zinc/34/57/87/286345787.db2.gz OXIDUIVCDCUWPM-AYHJJNSGSA-N 1 0 323.444 3.096 10 0 DGAERO CC(=O)N1CCC([NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000359623246 286349300 /nfs/dbraw/zinc/34/93/00/286349300.db2.gz ZZCWAGXAWAGZEH-GOSISDBHSA-N 1 0 316.445 3.118 10 0 DGAERO CC(C)N(C)c1ccc(C[NH2+]C[C@@](C)(O)C2CCCCC2)cn1 ZINC000359799934 286382615 /nfs/dbraw/zinc/38/26/15/286382615.db2.gz NZROSBCYGIFINW-LJQANCHMSA-N 1 0 319.493 3.347 10 0 DGAERO Cc1nc(C)c(C[NH2+]CC[C@H]2COc3ccccc3O2)s1 ZINC000360272397 286452719 /nfs/dbraw/zinc/45/27/19/286452719.db2.gz BYRCOGNEIHWMFM-ZDUSSCGKSA-N 1 0 304.415 3.080 10 0 DGAERO CC(=O)N1CCC([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000360772102 286533016 /nfs/dbraw/zinc/53/30/16/286533016.db2.gz LFWAZPVJBAAAFF-UHFFFAOYSA-N 1 0 324.827 3.268 10 0 DGAERO COCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178107862 292363865 /nfs/dbraw/zinc/36/38/65/292363865.db2.gz ACGSEILJZPDDCO-ZDUSSCGKSA-N 1 0 314.223 3.289 10 0 DGAERO COc1cccc(CC[NH2+][C@H]2CCSc3ccccc32)n1 ZINC000361922610 286745075 /nfs/dbraw/zinc/74/50/75/286745075.db2.gz AUFSZCHTIVXOGX-HNNXBMFYSA-N 1 0 300.427 3.459 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCCC1 ZINC000172178437 286973708 /nfs/dbraw/zinc/97/37/08/286973708.db2.gz ZMGQKMQUJRLEJY-ZBFHGGJFSA-N 1 0 319.449 3.294 10 0 DGAERO c1ccc([C@H]([NH2+]C2CCC3(CC2)OCCO3)[C@@H]2CCOC2)cc1 ZINC000364363808 287018318 /nfs/dbraw/zinc/01/83/18/287018318.db2.gz OXNYDNNFDQFZCS-AEFFLSMTSA-N 1 0 317.429 3.040 10 0 DGAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC000364847739 287067194 /nfs/dbraw/zinc/06/71/94/287067194.db2.gz JXSHMPQMJAWJFJ-QZTJIDSGSA-N 1 0 312.413 3.414 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000364850333 287067519 /nfs/dbraw/zinc/06/75/19/287067519.db2.gz UWBUFMFDBNQLQH-FXAWDEMLSA-N 1 0 324.472 3.490 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)NC(=O)Nc1ccccc1F ZINC000172168484 164653429 /nfs/dbraw/zinc/65/34/29/164653429.db2.gz HCVAMNRQQYENDJ-RYUDHWBXSA-N 1 0 321.396 3.031 10 0 DGAERO O=C(NCCC1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172545513 164661175 /nfs/dbraw/zinc/66/11/75/164661175.db2.gz DEZSEVAWWTXLHR-KRWDZBQOSA-N 1 0 307.482 3.227 10 0 DGAERO Cc1ccccc1SCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000173045642 164683993 /nfs/dbraw/zinc/68/39/93/164683993.db2.gz UHKPXJAWLWVION-AWEZNQCLSA-N 1 0 308.491 3.180 10 0 DGAERO CC(C)[NH+]1CCC(N[C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000173613649 164701650 /nfs/dbraw/zinc/70/16/50/164701650.db2.gz VYGYOFAMNSSFCU-CQSZACIVSA-N 1 0 314.433 3.260 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1F ZINC000176675476 164786837 /nfs/dbraw/zinc/78/68/37/164786837.db2.gz FXRAQFOJNWSNTO-CQSZACIVSA-N 1 0 319.424 3.075 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(SC)ccc1C ZINC000176986894 164794970 /nfs/dbraw/zinc/79/49/70/164794970.db2.gz MNYYMPDNGYOLRO-CQSZACIVSA-N 1 0 306.475 3.273 10 0 DGAERO Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)n1 ZINC000177244812 164802852 /nfs/dbraw/zinc/80/28/52/164802852.db2.gz CEHMDKKABLVOCI-UHFFFAOYSA-N 1 0 315.461 3.225 10 0 DGAERO CC(C)c1csc([C@H]2CCCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)n1 ZINC000178813126 164848284 /nfs/dbraw/zinc/84/82/84/164848284.db2.gz YCRPIAKMZQGFOH-KBPBESRZSA-N 1 0 321.490 3.115 10 0 DGAERO Cc1ccncc1CCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000364947418 287078276 /nfs/dbraw/zinc/07/82/76/287078276.db2.gz AYXGFCYWQOVBMR-UHFFFAOYSA-N 1 0 302.462 3.461 10 0 DGAERO CCSc1ccc(Cl)cc1C(=O)N1CCC([NH2+]C)CC1 ZINC000179140384 164852716 /nfs/dbraw/zinc/85/27/16/164852716.db2.gz YIQFWRTXIDBUQO-UHFFFAOYSA-N 1 0 312.866 3.276 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000185218343 164995542 /nfs/dbraw/zinc/99/55/42/164995542.db2.gz YGCWWQZHGIFFPW-CYBMUJFWSA-N 1 0 300.402 3.203 10 0 DGAERO C[NH+](C)CC1(CNC(=O)c2cccc3ncccc32)CCCC1 ZINC000186184329 165032162 /nfs/dbraw/zinc/03/21/62/165032162.db2.gz OOBHFAHSVBSHLB-UHFFFAOYSA-N 1 0 311.429 3.087 10 0 DGAERO CCC[C@H]([NH2+][C@H]1C[C@H](OCC)C12CCOCC2)c1ccccn1 ZINC000186317202 165038000 /nfs/dbraw/zinc/03/80/00/165038000.db2.gz HWVSONJHRZVSJF-BZSNNMDCSA-N 1 0 318.461 3.487 10 0 DGAERO CCN(C(=O)CCCSC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186310043 165038196 /nfs/dbraw/zinc/03/81/96/165038196.db2.gz IKSYVUIZHSMWTO-KRWDZBQOSA-N 1 0 320.502 3.253 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)Cc2cccs2)C12CCOCC2 ZINC000186359099 165039743 /nfs/dbraw/zinc/03/97/43/165039743.db2.gz YSQXPFKMQSRUDE-USXIJHARSA-N 1 0 323.502 3.491 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)c2nc(C)cs2)C12CCOCC2 ZINC000186502969 165047201 /nfs/dbraw/zinc/04/72/01/165047201.db2.gz ATUDVIOXFQNFJP-VHDGCEQUSA-N 1 0 324.490 3.119 10 0 DGAERO O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCCC2(CC2)C1 ZINC000186979313 165069020 /nfs/dbraw/zinc/06/90/20/165069020.db2.gz WTKYBTWNHNABKA-INIZCTEOSA-N 1 0 309.837 3.094 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccc(Cl)s1 ZINC000186967643 165069323 /nfs/dbraw/zinc/06/93/23/165069323.db2.gz UZPXZUYMEVFUOC-VHSXEESVSA-N 1 0 321.895 3.265 10 0 DGAERO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186989681 165070764 /nfs/dbraw/zinc/07/07/64/165070764.db2.gz UZSRMWOJIHXZHN-MRXNPFEDSA-N 1 0 303.446 3.426 10 0 DGAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000187201733 165080635 /nfs/dbraw/zinc/08/06/35/165080635.db2.gz HOAHRJXWCCQAFP-KSSFIOAISA-N 1 0 302.418 3.414 10 0 DGAERO CC(C)[C@@](C)(O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000187245148 165082655 /nfs/dbraw/zinc/08/26/55/165082655.db2.gz ABGMOZNVERCYNX-SFHVURJKSA-N 1 0 301.434 3.149 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)ccc1OC ZINC000187278625 165083752 /nfs/dbraw/zinc/08/37/52/165083752.db2.gz BJAAOIKABZQPSM-LMWIJYBJSA-N 1 0 305.418 3.060 10 0 DGAERO CCC[C@H]([NH2+][C@@H]1CCc2nc(CC)nn2C1)c1ccsc1 ZINC000187777147 165103646 /nfs/dbraw/zinc/10/36/46/165103646.db2.gz VVNWZAOWOLUTNH-KGLIPLIRSA-N 1 0 304.463 3.348 10 0 DGAERO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(F)c1 ZINC000187772854 165103809 /nfs/dbraw/zinc/10/38/09/165103809.db2.gz YJYOJZMVKAHCFZ-MRXNPFEDSA-N 1 0 311.364 3.042 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3ccccc3F)o2)C1 ZINC000188029212 165108422 /nfs/dbraw/zinc/10/84/22/165108422.db2.gz DTQBCXJRVLEORZ-FZKQIMNGSA-N 1 0 318.392 3.464 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCOc3c(C)cccc32)cc1 ZINC000188013429 165109537 /nfs/dbraw/zinc/10/95/37/165109537.db2.gz BQDDYHIGJRVHJZ-QGZVFWFLSA-N 1 0 311.381 3.395 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188617700 165130188 /nfs/dbraw/zinc/13/01/88/165130188.db2.gz QAGHZFJHKBSLEW-RTBURBONSA-N 1 0 312.457 3.220 10 0 DGAERO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)CC1CCCC1)CC2 ZINC000188634094 165130513 /nfs/dbraw/zinc/13/05/13/165130513.db2.gz VAKSLJSEKPRHMN-KRWDZBQOSA-N 1 0 319.445 3.003 10 0 DGAERO O=C([C@H]1C[C@@H]1c1cccc2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000188666880 165132716 /nfs/dbraw/zinc/13/27/16/165132716.db2.gz KNMWNDPQDYUCHD-UXHICEINSA-N 1 0 320.436 3.250 10 0 DGAERO O=C(C[C@@H]1CCCc2ccccc21)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188756648 165135954 /nfs/dbraw/zinc/13/59/54/165135954.db2.gz WEFIZNCRIWVLNO-KRWDZBQOSA-N 1 0 320.436 3.416 10 0 DGAERO C[N@H+](Cc1ccc(-c2ccncc2)cc1F)CC1(CO)CC1 ZINC000188953402 165143131 /nfs/dbraw/zinc/14/31/31/165143131.db2.gz BBKHTUVEUUWTTK-UHFFFAOYSA-N 1 0 300.377 3.092 10 0 DGAERO Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000189006757 165144333 /nfs/dbraw/zinc/14/43/33/165144333.db2.gz QQYRQRKTUWQNIN-CQSZACIVSA-N 1 0 320.799 3.028 10 0 DGAERO CCC[C@H](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189006104 165144923 /nfs/dbraw/zinc/14/49/23/165144923.db2.gz FZIKFGGSQSRHQB-QEORTHHSSA-N 1 0 324.415 3.353 10 0 DGAERO c1c(N2CCN(c3cc[nH+]c4ccccc43)CC2)n[nH]c1C1CC1 ZINC000189196466 165152534 /nfs/dbraw/zinc/15/25/34/165152534.db2.gz KHXHZORFHVHQFC-UHFFFAOYSA-N 1 0 319.412 3.162 10 0 DGAERO Cc1cccc2nc(C3CC[NH+](CCn4ccnc4)CC3)oc21 ZINC000189812725 165178037 /nfs/dbraw/zinc/17/80/37/165178037.db2.gz YJWAWJXZMYBDSD-UHFFFAOYSA-N 1 0 310.401 3.212 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCSCc3ccccc3)[C@@H]2C1 ZINC000190056424 165187663 /nfs/dbraw/zinc/18/76/63/165187663.db2.gz LJMRWSWDXKMKEE-KZNAEPCWSA-N 1 0 321.486 3.188 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000190126963 165190187 /nfs/dbraw/zinc/19/01/87/165190187.db2.gz QTPHWEQASFPIQY-KBPBESRZSA-N 1 0 321.465 3.032 10 0 DGAERO CCC(=O)CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000190329129 165198968 /nfs/dbraw/zinc/19/89/68/165198968.db2.gz DRXBXCONWFPQNM-OAHLLOKOSA-N 1 0 312.417 3.020 10 0 DGAERO Cc1cccc(-c2noc(C[N@H+]3CCSC[C@@H](C)C3)n2)c1 ZINC000190472514 165205991 /nfs/dbraw/zinc/20/59/91/165205991.db2.gz OAZBWKUVQBAYIE-ZDUSSCGKSA-N 1 0 303.431 3.230 10 0 DGAERO CCc1nnc(C2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)[nH]1 ZINC000190673784 165211811 /nfs/dbraw/zinc/21/18/11/165211811.db2.gz MOGSGVSBZCGBSK-GFCCVEGCSA-N 1 0 302.397 3.447 10 0 DGAERO CCn1cc([C@@H]2CN([C@@H](C)c3ccc(F)c(F)c3)CCO2)cn1 ZINC000190780195 165215627 /nfs/dbraw/zinc/21/56/27/165215627.db2.gz MYZFOOOZFHOGCW-SJCJKPOMSA-N 1 0 321.371 3.316 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1(Cc2ccccc2F)CC1 ZINC000191126580 165230838 /nfs/dbraw/zinc/23/08/38/165230838.db2.gz QPZXQIJNIFYLFM-MRXNPFEDSA-N 1 0 320.452 3.241 10 0 DGAERO COc1cc(C)c(C[N@H+](C)C[C@H](O)C2CCCCC2)cc1OC ZINC000191235600 165237290 /nfs/dbraw/zinc/23/72/90/165237290.db2.gz LYGYHDSXOKTFRJ-KRWDZBQOSA-N 1 0 321.461 3.385 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000191307791 165242141 /nfs/dbraw/zinc/24/21/41/165242141.db2.gz WRJFHYRPDMOHPO-UHFFFAOYSA-N 1 0 300.446 3.301 10 0 DGAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191531015 165256864 /nfs/dbraw/zinc/25/68/64/165256864.db2.gz PNVALYQKEGWAIZ-ZDUSSCGKSA-N 1 0 310.388 3.011 10 0 DGAERO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)CC1 ZINC000191537285 165257797 /nfs/dbraw/zinc/25/77/97/165257797.db2.gz NKVXFMLMCBOVJE-CQSZACIVSA-N 1 0 322.399 3.013 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191610909 165260424 /nfs/dbraw/zinc/26/04/24/165260424.db2.gz NXQCGGHMRITMES-UHFFFAOYSA-N 1 0 303.450 3.046 10 0 DGAERO Fc1ccc(F)c([C@H]2CCC[N@H+](CCCn3ccnc3)C2)c1 ZINC000191685001 165265189 /nfs/dbraw/zinc/26/51/89/165265189.db2.gz DPBQRDOGYONPRJ-AWEZNQCLSA-N 1 0 305.372 3.431 10 0 DGAERO CC[C@@H](C)CC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000191678621 165265377 /nfs/dbraw/zinc/26/53/77/165265377.db2.gz VUGXMICHFWTFFW-OAHLLOKOSA-N 1 0 303.450 3.203 10 0 DGAERO Cc1ccc(NC(=O)[C@](C)([NH3+])c2ccccc2)cc1-c1ncco1 ZINC000192499903 165294713 /nfs/dbraw/zinc/29/47/13/165294713.db2.gz ZEPADZUTNQOBDX-LJQANCHMSA-N 1 0 321.380 3.463 10 0 DGAERO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000192637143 165300147 /nfs/dbraw/zinc/30/01/47/165300147.db2.gz IIDNWOZIJMIFIW-LBPRGKRZSA-N 1 0 313.426 3.188 10 0 DGAERO Cc1cc(C)n2c(C[NH2+]Cc3ccc4ncccc4c3)cnc2n1 ZINC000192975544 165314753 /nfs/dbraw/zinc/31/47/53/165314753.db2.gz GBUVMEHUEBYDEM-UHFFFAOYSA-N 1 0 317.396 3.184 10 0 DGAERO COc1ncccc1CN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000193458604 165327275 /nfs/dbraw/zinc/32/72/75/165327275.db2.gz IHHPWCYYZBHHJL-KRWDZBQOSA-N 1 0 316.376 3.111 10 0 DGAERO COc1cccc2c1CC[N@H+](Cc1cccnc1Cl)CC2 ZINC000193714461 165328929 /nfs/dbraw/zinc/32/89/29/165328929.db2.gz BIXICQTUCXITLA-UHFFFAOYSA-N 1 0 302.805 3.344 10 0 DGAERO CC(C)(C)SCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193799358 165331625 /nfs/dbraw/zinc/33/16/25/165331625.db2.gz AIECKLVKXRIOLO-INIZCTEOSA-N 1 0 320.502 3.156 10 0 DGAERO O=C(CCc1ccccn1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000194434857 165346959 /nfs/dbraw/zinc/34/69/59/165346959.db2.gz XUEWFWMXIGRVFC-SFHVURJKSA-N 1 0 321.424 3.025 10 0 DGAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000194769794 165355522 /nfs/dbraw/zinc/35/55/22/165355522.db2.gz IRTOUADZCVOCCZ-RRQGHBQHSA-N 1 0 315.417 3.334 10 0 DGAERO O=C(c1ccc(-c2ccccc2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195314918 165365553 /nfs/dbraw/zinc/36/55/53/165365553.db2.gz HONXCVNPMQPFDO-LJQANCHMSA-N 1 0 306.409 3.274 10 0 DGAERO O[C@@H](C[N@@H+]1CCC[C@H](c2nccs2)C1)c1ccccc1F ZINC000195340688 165367170 /nfs/dbraw/zinc/36/71/70/165367170.db2.gz MEOZGGBGVVZEOA-WFASDCNBSA-N 1 0 306.406 3.195 10 0 DGAERO Cc1ccc(CCCCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195339318 165367649 /nfs/dbraw/zinc/36/76/49/165367649.db2.gz AJSMLLIWZDBCTL-GOSISDBHSA-N 1 0 300.446 3.014 10 0 DGAERO CCc1csc([C@H]2CCCN(Cc3nnc(C)n3CC)C2)n1 ZINC000195384516 165368639 /nfs/dbraw/zinc/36/86/39/165368639.db2.gz IJEPKBKEMVRNBI-ZDUSSCGKSA-N 1 0 319.478 3.005 10 0 DGAERO COc1ccc(CCN2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000195389670 165368939 /nfs/dbraw/zinc/36/89/39/165368939.db2.gz FYHNYINQDAZEOA-MRXNPFEDSA-N 1 0 318.442 3.076 10 0 DGAERO CSCCN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195438663 165370342 /nfs/dbraw/zinc/37/03/42/165370342.db2.gz FCMGKXIKGJLVEM-NSHDSACASA-N 1 0 300.493 3.177 10 0 DGAERO COc1cc(C[NH2+]C[C@@H]2CC2(C)C)cc(Br)c1O ZINC000223220896 165381890 /nfs/dbraw/zinc/38/18/90/165381890.db2.gz KZYNSSXLRUDGPS-JTQLQIEISA-N 1 0 314.223 3.299 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000226773026 165384828 /nfs/dbraw/zinc/38/48/28/165384828.db2.gz XZIHVDLYDXLOBT-SDKNFDLMSA-N 1 0 324.465 3.074 10 0 DGAERO OCC[C@@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000227570637 165387118 /nfs/dbraw/zinc/38/71/18/165387118.db2.gz QEFCHNBXKPJPER-NSHDSACASA-N 1 0 304.217 3.077 10 0 DGAERO OCC[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000227566339 165387577 /nfs/dbraw/zinc/38/75/77/165387577.db2.gz NVNGHIPQHVKKMX-LLVKDONJSA-N 1 0 304.217 3.077 10 0 DGAERO FC(F)SCc1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)o1 ZINC000230314854 165396659 /nfs/dbraw/zinc/39/66/59/165396659.db2.gz LHTAXUZPUJWMRH-QWHCGFSZSA-N 1 0 303.374 3.393 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(F)F)c1 ZINC000245702555 165475242 /nfs/dbraw/zinc/47/52/42/165475242.db2.gz BQRDPGYGOYHSDI-RISCZKNCSA-N 1 0 309.360 3.325 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(SC)ccc1C ZINC000246844762 165545242 /nfs/dbraw/zinc/54/52/42/165545242.db2.gz BSQPOUTWNBYIHS-CABCVRRESA-N 1 0 318.486 3.416 10 0 DGAERO CC[C@H](C)Oc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000247218840 165571925 /nfs/dbraw/zinc/57/19/25/165571925.db2.gz BMVNIOYVMXEGQF-HOCLYGCPSA-N 1 0 317.433 3.176 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000247400487 165581758 /nfs/dbraw/zinc/58/17/58/165581758.db2.gz PJBIKNSMHFJFAJ-JLSDUUJJSA-N 1 0 313.445 3.016 10 0 DGAERO CC1(C)CN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000261627113 165723350 /nfs/dbraw/zinc/72/33/50/165723350.db2.gz ATJDGZPWSPQPNI-ZDUSSCGKSA-N 1 0 315.244 3.122 10 0 DGAERO C[C@H](C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])c1cc2ccccc2o1 ZINC000261665876 165730747 /nfs/dbraw/zinc/73/07/47/165730747.db2.gz CJRLDJBHKKDRAZ-VNHYZAJKSA-N 1 0 300.402 3.122 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCc1cccc(Cl)c1Cl ZINC000261679467 165732043 /nfs/dbraw/zinc/73/20/43/165732043.db2.gz GUWLGDDUVVSEQU-VXGBXAGGSA-N 1 0 315.244 3.027 10 0 DGAERO CCOC(=O)c1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000261832906 165754605 /nfs/dbraw/zinc/75/46/05/165754605.db2.gz BJVXIJVJNINWTE-IXDOHACOSA-N 1 0 302.418 3.196 10 0 DGAERO C[C@H]1CCN(C(=O)c2cccc(OC3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000261875947 165760138 /nfs/dbraw/zinc/76/01/38/165760138.db2.gz SURYSBOBCHALFS-HOCLYGCPSA-N 1 0 316.445 3.207 10 0 DGAERO C[C@@H]1CCN(C(=O)c2cnc(-c3ccsc3)s2)[C@H](C[NH3+])C1 ZINC000261905304 165762506 /nfs/dbraw/zinc/76/25/06/165762506.db2.gz WTEXZGRFJSMHNU-PWSUYJOCSA-N 1 0 321.471 3.071 10 0 DGAERO C[C@H]1Cc2ccccc2[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262288140 165795942 /nfs/dbraw/zinc/79/59/42/165795942.db2.gz MPRNPXICCATUFB-CAFRFBMMSA-N 1 0 312.457 3.190 10 0 DGAERO Cc1cccc(COc2cccc(NC(=O)[C@@H](C)C3C[NH2+]C3)c2)c1 ZINC000262587431 165811606 /nfs/dbraw/zinc/81/16/06/165811606.db2.gz VRASAAQBIAINRO-HNNXBMFYSA-N 1 0 324.424 3.368 10 0 DGAERO C[C@@]1(CNC(=O)c2cc3c(s2)CCCCC3)CCC[NH2+]C1 ZINC000128988830 196009899 /nfs/dbraw/zinc/00/98/99/196009899.db2.gz OHRWGBVLEHTBQW-QGZVFWFLSA-N 1 0 306.475 3.137 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000246657087 432151767 /nfs/dbraw/zinc/15/17/67/432151767.db2.gz GIHHNZMZUPDVQG-RLFYNMQTSA-N 1 0 318.461 3.178 10 0 DGAERO COc1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)cc1O ZINC000190397747 432151985 /nfs/dbraw/zinc/15/19/85/432151985.db2.gz VGOXNMVQHCSWIF-UHFFFAOYSA-N 1 0 301.386 3.056 10 0 DGAERO Cc1cc(CC[NH2+]Cc2ccc3c(c2)OCCO3)cc(C)c1O ZINC000190392500 432152074 /nfs/dbraw/zinc/15/20/74/432152074.db2.gz VKWWOODBXHJIRA-UHFFFAOYSA-N 1 0 313.397 3.113 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cccc3ccccc32)C1 ZINC000246642270 432152110 /nfs/dbraw/zinc/15/21/10/432152110.db2.gz KWHFAJAMKSHXRN-ICSRJNTNSA-N 1 0 322.452 3.325 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@H](C)C1 ZINC000190400088 432152257 /nfs/dbraw/zinc/15/22/57/432152257.db2.gz GYEOLGABCOVVRO-CVEARBPZSA-N 1 0 323.502 3.235 10 0 DGAERO CC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccc(F)cc1F ZINC000246728773 432159407 /nfs/dbraw/zinc/15/94/07/432159407.db2.gz ONRAAUXJSBJCHB-HSHDSVGOSA-N 1 0 322.399 3.453 10 0 DGAERO c1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c2c(c1)OCCCO2 ZINC000136703274 432159854 /nfs/dbraw/zinc/15/98/54/432159854.db2.gz RBAJAZMOBFZJMN-INIZCTEOSA-N 1 0 317.429 3.429 10 0 DGAERO C[C@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)CCS1 ZINC000171697679 432161631 /nfs/dbraw/zinc/16/16/31/432161631.db2.gz GMQUNTNFDFZZPL-ZDUSSCGKSA-N 1 0 303.431 3.107 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc3ccccc3c2)C1 ZINC000246700324 432155707 /nfs/dbraw/zinc/15/57/07/432155707.db2.gz NGDRGHQUYLICBU-VQTJNVASSA-N 1 0 322.452 3.325 10 0 DGAERO Fc1ccccc1OCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171647187 432155819 /nfs/dbraw/zinc/15/58/19/432155819.db2.gz MWRLDUPLOTUSLL-HNNXBMFYSA-N 1 0 315.392 3.034 10 0 DGAERO C[C@H](C[NH2+][C@H]1CCCN(c2cccnc2)C1=O)Cc1ccccc1 ZINC000182079148 432156541 /nfs/dbraw/zinc/15/65/41/432156541.db2.gz VLXAJUBXHXQJKM-LPHOPBHVSA-N 1 0 323.440 3.045 10 0 DGAERO COc1cc(Br)ccc1C[N@H+](C)C[C@H]1CCCO1 ZINC000182074639 432156702 /nfs/dbraw/zinc/15/67/02/432156702.db2.gz AMGYZUFTYGBUAT-CYBMUJFWSA-N 1 0 314.223 3.069 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246707138 432157230 /nfs/dbraw/zinc/15/72/30/432157230.db2.gz NGVCYTBFPHSYQF-GUYCJALGSA-N 1 0 324.415 3.086 10 0 DGAERO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000246715294 432157828 /nfs/dbraw/zinc/15/78/28/432157828.db2.gz KVITUCCWURPSKU-CVEARBPZSA-N 1 0 302.443 3.365 10 0 DGAERO CC(C)[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Cl)cc1F ZINC000182089322 432158720 /nfs/dbraw/zinc/15/87/20/432158720.db2.gz PIZZADASSYUISK-BLLLJJGKSA-N 1 0 312.816 3.387 10 0 DGAERO COCCCN(C)CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182098795 432158831 /nfs/dbraw/zinc/15/88/31/432158831.db2.gz GYACRSKJIMDHEH-KRWDZBQOSA-N 1 0 314.420 3.220 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)on1 ZINC000246832240 432171002 /nfs/dbraw/zinc/17/10/02/432171002.db2.gz ODZRPXGKLFFGNC-DOTOQJQBSA-N 1 0 304.365 3.210 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1scnc1C(C)(C)C ZINC000137107083 432171222 /nfs/dbraw/zinc/17/12/22/432171222.db2.gz LFEDFBFIGJLTCN-GFCCVEGCSA-N 1 0 311.495 3.147 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246853362 432171647 /nfs/dbraw/zinc/17/16/47/432171647.db2.gz BOUCAWCDWTVHJQ-DZGCQCFKSA-N 1 0 313.445 3.339 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(Cc2ccccc2F)CC1 ZINC000190571321 432172067 /nfs/dbraw/zinc/17/20/67/432172067.db2.gz ANGIYYCOBVTPMU-HNNXBMFYSA-N 1 0 318.436 3.139 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COCc1cccc(OC)c1 ZINC000246791091 432164009 /nfs/dbraw/zinc/16/40/09/432164009.db2.gz CVWDHVMCPOXARC-QZTJIDSGSA-N 1 0 321.461 3.227 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc(C(C)(C)C)s1 ZINC000246822667 432169062 /nfs/dbraw/zinc/16/90/62/432169062.db2.gz ABBNWGLMBAFFKJ-OLZOCXBDSA-N 1 0 321.490 3.139 10 0 DGAERO O[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000182299883 432177797 /nfs/dbraw/zinc/17/77/97/432177797.db2.gz BIXPGYPPQDBCFA-IRXDYDNUSA-N 1 0 316.470 3.316 10 0 DGAERO C[C@@H]1CC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC000246896013 432177889 /nfs/dbraw/zinc/17/78/89/432177889.db2.gz HFBLATSGVQRDIU-MELXAWMUSA-N 1 0 307.482 3.126 10 0 DGAERO CCC(CC)(CNC(=O)CSC)[NH2+][C@@H](C)c1ccccc1 ZINC000171873419 432180089 /nfs/dbraw/zinc/18/00/89/432180089.db2.gz SFNLIEMMBRBWMF-AWEZNQCLSA-N 1 0 308.491 3.375 10 0 DGAERO CC[C@@H]([NH2+]CC1(C)OCCCO1)c1ccccc1OC(F)F ZINC000190661934 432180255 /nfs/dbraw/zinc/18/02/55/432180255.db2.gz DEZRFYRNCKEJIY-CYBMUJFWSA-N 1 0 315.360 3.482 10 0 DGAERO Cc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000138055299 432182516 /nfs/dbraw/zinc/18/25/16/432182516.db2.gz AUZCICMGZLOHAT-UHFFFAOYSA-N 1 0 317.477 3.223 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000246839705 432172974 /nfs/dbraw/zinc/17/29/74/432172974.db2.gz DZXMMMCDSLUFAE-ZFVVBOAOSA-N 1 0 320.864 3.288 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246857253 432173628 /nfs/dbraw/zinc/17/36/28/432173628.db2.gz BUARILSOBNRFQV-ZBFHGGJFSA-N 1 0 324.465 3.063 10 0 DGAERO C[C@@H](O)CC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190606672 432175192 /nfs/dbraw/zinc/17/51/92/432175192.db2.gz ZDKCPRAJYAWIFB-PRHODGIISA-N 1 0 304.253 3.322 10 0 DGAERO CCc1csc([C@@H]2CCC[N@H+](Cc3cccc(OC)n3)C2)n1 ZINC000171826881 432175455 /nfs/dbraw/zinc/17/54/55/432175455.db2.gz XELHYZSCBLPDDM-CYBMUJFWSA-N 1 0 317.458 3.489 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC000246942825 432183318 /nfs/dbraw/zinc/18/33/18/432183318.db2.gz BZWIVIHCTLRZEA-XJKSGUPXSA-N 1 0 308.853 3.451 10 0 DGAERO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000139552395 432183648 /nfs/dbraw/zinc/18/36/48/432183648.db2.gz VODGFLBFSYFWML-LSDHHAIUSA-N 1 0 309.841 3.185 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000246940635 432183626 /nfs/dbraw/zinc/18/36/26/432183626.db2.gz HQBUTWIVWHBESR-DYVFJYSZSA-N 1 0 313.445 3.197 10 0 DGAERO Cc1nc(CN2CC[NH+](C3CCCCC3)CC2)nc2ccccc12 ZINC000141775403 432184769 /nfs/dbraw/zinc/18/47/69/432184769.db2.gz TUCRJHRWMSTNMV-UHFFFAOYSA-N 1 0 324.472 3.389 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1CCc1ccccn1)c1ccc(F)cc1 ZINC000246956117 432185395 /nfs/dbraw/zinc/18/53/95/432185395.db2.gz UUJJKSRJCOERBU-RBUKOAKNSA-N 1 0 314.404 3.351 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cccnc1)c1ccc(F)cc1 ZINC000246949365 432185502 /nfs/dbraw/zinc/18/55/02/432185502.db2.gz UNQHTWFBQNROHM-ZWKOTPCHSA-N 1 0 300.377 3.309 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000150738849 432187934 /nfs/dbraw/zinc/18/79/34/432187934.db2.gz FRYOZBBLKOTJHG-KBPBESRZSA-N 1 0 320.399 3.442 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1Cc1cc(=O)n2c(C)csc2n1 ZINC000150748977 432188628 /nfs/dbraw/zinc/18/86/28/432188628.db2.gz YDLKTBPZGRVMLC-CQSZACIVSA-N 1 0 305.447 3.219 10 0 DGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000150771027 432190993 /nfs/dbraw/zinc/19/09/93/432190993.db2.gz JRPXOPAIVUBPFU-IUODEOHRSA-N 1 0 302.418 3.482 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc2c(c1)OCCCO2 ZINC000247079358 432200228 /nfs/dbraw/zinc/20/02/28/432200228.db2.gz NLFNAKQHTWOHJL-SVGFKBNWSA-N 1 0 317.429 3.456 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N(C)Cc1cccc(F)c1 ZINC000172169901 432199290 /nfs/dbraw/zinc/19/92/90/432199290.db2.gz WICKHFFLMDMPPH-KBPBESRZSA-N 1 0 306.425 3.341 10 0 DGAERO COc1cccc(C[NH2+]CCCCOCc2ccccc2)n1 ZINC000190911222 432200239 /nfs/dbraw/zinc/20/02/39/432200239.db2.gz UXZUQYWQWKZCJL-UHFFFAOYSA-N 1 0 300.402 3.177 10 0 DGAERO COc1ccc([C@H](C)CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000247029275 432194568 /nfs/dbraw/zinc/19/45/68/432194568.db2.gz HQMNHXMBEJZOBH-RVKKMQEKSA-N 1 0 318.461 3.034 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCc2cccnc2)c1 ZINC000172071465 432194699 /nfs/dbraw/zinc/19/46/99/432194699.db2.gz KGYGHEVVRCGRAD-GOSISDBHSA-N 1 0 312.413 3.478 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC000247048702 432196229 /nfs/dbraw/zinc/19/62/29/432196229.db2.gz IFVLSDFMKGTNFW-SDDRHHMPSA-N 1 0 314.882 3.350 10 0 DGAERO CCCOc1ccc(OCC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000247047332 432196561 /nfs/dbraw/zinc/19/65/61/432196561.db2.gz VQAJIJPSXINJIZ-DLBZAZTESA-N 1 0 320.477 3.269 10 0 DGAERO CCCC[N@H+](C[C@@H](O)Cn1cccn1)[C@@H](CC)c1ccccc1 ZINC000172175231 432202230 /nfs/dbraw/zinc/20/22/30/432202230.db2.gz UKTGKUHIVDNWKN-MOPGFXCFSA-N 1 0 315.461 3.497 10 0 DGAERO COc1ccccc1CCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000182536854 432200854 /nfs/dbraw/zinc/20/08/54/432200854.db2.gz PHFLJMYQJFGQTC-SFHVURJKSA-N 1 0 313.445 3.297 10 0 DGAERO O[C@@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000247114577 432203411 /nfs/dbraw/zinc/20/34/11/432203411.db2.gz PHIMOKMDGZPSCA-QAPCUYQASA-N 1 0 322.880 3.324 10 0 DGAERO CCOc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000182576825 432206776 /nfs/dbraw/zinc/20/67/76/432206776.db2.gz PHHRTCIJILLOIE-HUUCEWRRSA-N 1 0 319.401 3.077 10 0 DGAERO C[C@@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)c1cccc(F)c1 ZINC000172287033 432207099 /nfs/dbraw/zinc/20/70/99/432207099.db2.gz OGCOWFNPVUUQEG-AWEZNQCLSA-N 1 0 304.409 3.016 10 0 DGAERO CCCc1nc(C)c(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000247152411 432207774 /nfs/dbraw/zinc/20/77/74/432207774.db2.gz AEHHDHRINHVQHO-OCCSQVGLSA-N 1 0 323.506 3.206 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)o1 ZINC000182591998 432208354 /nfs/dbraw/zinc/20/83/54/432208354.db2.gz VMYNXHQABCHQMO-UONOGXRCSA-N 1 0 314.385 3.160 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC[N@@H+]1C ZINC000247241945 432215940 /nfs/dbraw/zinc/21/59/40/432215940.db2.gz DIUPHFRQJFUIIY-VZEFYGNVSA-N 1 0 320.864 3.385 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247193413 432210779 /nfs/dbraw/zinc/21/07/79/432210779.db2.gz BUCDDXZORDZSLZ-QZTJIDSGSA-N 1 0 319.445 3.308 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc2ccn(C)c21 ZINC000191001557 432210979 /nfs/dbraw/zinc/21/09/79/432210979.db2.gz IBISRNHRXUOOBR-AWEZNQCLSA-N 1 0 314.433 3.174 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182635558 432212026 /nfs/dbraw/zinc/21/20/26/432212026.db2.gz WQELHMONKBFSED-CYBMUJFWSA-N 1 0 316.405 3.193 10 0 DGAERO Cc1ccc(N2CCC(C(=O)NC[C@@H](C)C(C)C)CC2)nc1 ZINC000172442992 432214108 /nfs/dbraw/zinc/21/41/08/432214108.db2.gz LBOJUCOKWCKDLE-OAHLLOKOSA-N 1 0 303.450 3.015 10 0 DGAERO CCc1ccc(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247238848 432215189 /nfs/dbraw/zinc/21/51/89/432215189.db2.gz DFXXZOCGYSOJGU-YJBOKZPZSA-N 1 0 302.462 3.123 10 0 DGAERO C[C@H](SCc1ccccc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247130806 432205577 /nfs/dbraw/zinc/20/55/77/432205577.db2.gz JJISJWYARCXPBV-ZOBUZTSGSA-N 1 0 318.486 3.003 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000190957242 432205899 /nfs/dbraw/zinc/20/58/99/432205899.db2.gz IEBJMOQGVIMHSP-CVEARBPZSA-N 1 0 307.482 3.225 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ncc(-c2ccccc2F)o1 ZINC000191137005 432225285 /nfs/dbraw/zinc/22/52/85/432225285.db2.gz HGMYYXUXYMOBAF-VXGBXAGGSA-N 1 0 304.365 3.214 10 0 DGAERO CCc1ccc(CCC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000247353963 432225328 /nfs/dbraw/zinc/22/53/28/432225328.db2.gz JVBVCCKCJQKBII-VQIMIIECSA-N 1 0 316.489 3.370 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000172621486 432225336 /nfs/dbraw/zinc/22/53/36/432225336.db2.gz QUZFDIOFMOUACW-HNNXBMFYSA-N 1 0 323.440 3.326 10 0 DGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000247395192 432227871 /nfs/dbraw/zinc/22/78/71/432227871.db2.gz QRPTZJDTFISITB-HOTGVXAUSA-N 1 0 319.449 3.104 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)C1(CC)CC ZINC000191073347 432217252 /nfs/dbraw/zinc/21/72/52/432217252.db2.gz VVMBEZGBLLPPQQ-LSDHHAIUSA-N 1 0 320.481 3.156 10 0 DGAERO C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247267892 432217367 /nfs/dbraw/zinc/21/73/67/432217367.db2.gz FJCFJQWMPLMVJW-HZSPNIEDSA-N 1 0 324.852 3.048 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CCC3)n2C)C1(CC)CC ZINC000191073300 432217604 /nfs/dbraw/zinc/21/76/04/432217604.db2.gz VVMBEZGBLLPPQQ-CABCVRRESA-N 1 0 320.481 3.156 10 0 DGAERO C[C@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1nccn1C ZINC000182677858 432217730 /nfs/dbraw/zinc/21/77/30/432217730.db2.gz HJSFILWISUJUIF-WMZOPIPTSA-N 1 0 312.461 3.125 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000247288347 432218627 /nfs/dbraw/zinc/21/86/27/432218627.db2.gz GRLHHTJQDCRUEY-YJBOKZPZSA-N 1 0 315.461 3.047 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000247295078 432220581 /nfs/dbraw/zinc/22/05/81/432220581.db2.gz LBEYZVXGBNPOMS-KBXCAEBGSA-N 1 0 311.429 3.140 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000247297706 432220621 /nfs/dbraw/zinc/22/06/21/432220621.db2.gz OLMUMIHQVRIDOG-HOTGVXAUSA-N 1 0 324.509 3.399 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000182715419 432221577 /nfs/dbraw/zinc/22/15/77/432221577.db2.gz GOPMWYXETZGYON-IBGZPJMESA-N 1 0 311.425 3.395 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@H](C)SCc2ccccc2)C1 ZINC000247342401 432222985 /nfs/dbraw/zinc/22/29/85/432222985.db2.gz NQHJXINKHTWMGY-YQQAZPJKSA-N 1 0 320.502 3.153 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000172591351 432224077 /nfs/dbraw/zinc/22/40/77/432224077.db2.gz MQJHRGLJKTZPMO-NVXWUHKLSA-N 1 0 307.482 3.225 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)cn1 ZINC000131852035 196204850 /nfs/dbraw/zinc/20/48/50/196204850.db2.gz CNUNCBDYHLIEPJ-KRWDZBQOSA-N 1 0 307.401 3.147 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cncc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000132048100 196222307 /nfs/dbraw/zinc/22/23/07/196222307.db2.gz KZEZUBVFQVRILJ-BEFAXECRSA-N 1 0 323.440 3.303 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000132603595 196269537 /nfs/dbraw/zinc/26/95/37/196269537.db2.gz YYCSZQZLKXCHFQ-ILXRZTDVSA-N 1 0 302.418 3.028 10 0 DGAERO C[NH2+][C@H]1CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000132815961 196286251 /nfs/dbraw/zinc/28/62/51/196286251.db2.gz RHAHUVAUHPQVBZ-KRWDZBQOSA-N 1 0 306.409 3.082 10 0 DGAERO COc1ccc2cc([C@H](C)[NH2+][C@H]3CCC(=O)N(C)C3)ccc2c1 ZINC000133026749 196306013 /nfs/dbraw/zinc/30/60/13/196306013.db2.gz AIFSRHVRNRJXCA-GUYCJALGSA-N 1 0 312.413 3.120 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@@H](C)Cc1ccccc1)CC2 ZINC000133869879 196341223 /nfs/dbraw/zinc/34/12/23/196341223.db2.gz OQPINTBEAWTVPR-DOTOQJQBSA-N 1 0 312.461 3.185 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000134176826 196368589 /nfs/dbraw/zinc/36/85/89/196368589.db2.gz MJANBAHJCPQOIO-KBXCAEBGSA-N 1 0 300.446 3.157 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)[NH+](C)C ZINC000134356654 196381891 /nfs/dbraw/zinc/38/18/91/196381891.db2.gz BMYJXUMBQXFRJP-INIZCTEOSA-N 1 0 314.433 3.120 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncc(C)cc1Br ZINC000097846455 545865972 /nfs/dbraw/zinc/86/59/72/545865972.db2.gz TYUVCCDABCGHDG-GFCCVEGCSA-N 1 0 312.255 3.073 10 0 DGAERO C[C@H](O)[C@@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000162863539 228259599 /nfs/dbraw/zinc/25/95/99/228259599.db2.gz DUZOIMUGQXOPIV-WDEREUQCSA-N 1 0 304.217 3.075 10 0 DGAERO c1sc(C2CCCCC2)nc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178632256 228344573 /nfs/dbraw/zinc/34/45/73/228344573.db2.gz NPMXREJIRWCQSS-MRXNPFEDSA-N 1 0 305.491 3.471 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2F)cc1F ZINC000181341291 228361148 /nfs/dbraw/zinc/36/11/48/228361148.db2.gz YOHGDWBIUMPJEA-CYBMUJFWSA-N 1 0 318.367 3.240 10 0 DGAERO Cc1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c(Cl)cc1F ZINC000130328251 292633580 /nfs/dbraw/zinc/63/35/80/292633580.db2.gz ZORLPJWBSJZSGJ-LBPRGKRZSA-N 1 0 314.832 3.494 10 0 DGAERO c1nc2c(n1[C@H]1CC[N@@H+](Cc3ccc4c(c3)CCO4)C1)CCCC2 ZINC000299741157 229377677 /nfs/dbraw/zinc/37/76/77/229377677.db2.gz DDRKWOSNCJNZJF-KRWDZBQOSA-N 1 0 323.440 3.144 10 0 DGAERO COc1cc2c(cc1F)ncnc2N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000302572328 230303463 /nfs/dbraw/zinc/30/34/63/230303463.db2.gz PXPLLOKOGFMJKN-NSHDSACASA-N 1 0 320.412 3.166 10 0 DGAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000037166684 263514993 /nfs/dbraw/zinc/51/49/93/263514993.db2.gz ACSCIBUARUKGEU-AWEZNQCLSA-N 1 0 300.393 3.354 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)ccc1F ZINC000040437621 263517113 /nfs/dbraw/zinc/51/71/13/263517113.db2.gz FYTNXDMFDPAMOU-GFCCVEGCSA-N 1 0 300.805 3.185 10 0 DGAERO CC[NH+](CC)CC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000179764461 263564741 /nfs/dbraw/zinc/56/47/41/263564741.db2.gz MLLMRSZCDFSVND-AWEZNQCLSA-N 1 0 310.825 3.012 10 0 DGAERO COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1F ZINC000187400367 263674169 /nfs/dbraw/zinc/67/41/69/263674169.db2.gz MBDJBPNNRSCILM-QRTARXTBSA-N 1 0 309.425 3.154 10 0 DGAERO COc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)c(OC(F)F)c1 ZINC000189732667 263725064 /nfs/dbraw/zinc/72/50/64/263725064.db2.gz WYSJWGQMDKEIFS-CYBMUJFWSA-N 1 0 315.360 3.344 10 0 DGAERO Cc1c([C@@H](C)[NH2+]Cc2cccnc2N(C)C)cnn1C(C)(C)C ZINC000191171963 263749026 /nfs/dbraw/zinc/74/90/26/263749026.db2.gz MXXFNMDMHHITCG-CYBMUJFWSA-N 1 0 315.465 3.258 10 0 DGAERO CCCCOCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658535 263841221 /nfs/dbraw/zinc/84/12/21/263841221.db2.gz AKYZELLJKBISME-OAHLLOKOSA-N 1 0 314.470 3.040 10 0 DGAERO c1nn(-c2ccccc2)cc1CNc1cc[nH+]c2ccccc12 ZINC000346595007 264061255 /nfs/dbraw/zinc/06/12/55/264061255.db2.gz QVSLRZMQXYKVRN-UHFFFAOYSA-N 1 0 300.365 3.455 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000347488554 264228451 /nfs/dbraw/zinc/22/84/51/264228451.db2.gz ROUHJFIMIATZOU-INIZCTEOSA-N 1 0 324.509 3.352 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000347681062 264266492 /nfs/dbraw/zinc/26/64/92/264266492.db2.gz OVYHSKZBGTZCSX-SFHVURJKSA-N 1 0 311.429 3.468 10 0 DGAERO c1cc2cc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)ccc2o1 ZINC000347825819 264290353 /nfs/dbraw/zinc/29/03/53/264290353.db2.gz XNCZFODILPVMTM-SFHVURJKSA-N 1 0 314.429 3.120 10 0 DGAERO c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@H]1COc2ccccc2O1 ZINC000347919688 264305465 /nfs/dbraw/zinc/30/54/65/264305465.db2.gz KHNNBZITGBYSCX-YOEHRIQHSA-N 1 0 310.397 3.363 10 0 DGAERO c1onc(Cc2ccccc2)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000351757508 264805246 /nfs/dbraw/zinc/80/52/46/264805246.db2.gz NSGGDZVDQFHNFE-LPHOPBHVSA-N 1 0 312.413 3.266 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1(CCO)CC1 ZINC000352933377 265237435 /nfs/dbraw/zinc/23/74/35/265237435.db2.gz GOMWHYVNTLOJGB-JLHYYAGUSA-N 1 0 311.372 3.444 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCC1(O)CCOCC1 ZINC000353054194 265281465 /nfs/dbraw/zinc/28/14/65/265281465.db2.gz PKJJFQCFSLIGMY-WYMLVPIESA-N 1 0 309.837 3.265 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC[N@@H+]1C ZINC000247440051 432229740 /nfs/dbraw/zinc/22/97/40/432229740.db2.gz PIMHNDGIUIYXJH-MEWXFMAXSA-N 1 0 322.399 3.009 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000191172790 432230448 /nfs/dbraw/zinc/23/04/48/432230448.db2.gz MMBZPLRGJOTDQH-FCHSOHFDSA-N 1 0 318.244 3.261 10 0 DGAERO COc1ccc(-c2cnc(C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)o2)cc1 ZINC000191175862 432230479 /nfs/dbraw/zinc/23/04/79/432230479.db2.gz YJQMIUJTQKPXLR-STQMWFEESA-N 1 0 316.401 3.084 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000247432298 432230595 /nfs/dbraw/zinc/23/05/95/432230595.db2.gz OTYPMXMTUQESOU-BBRMVZONSA-N 1 0 308.853 3.071 10 0 DGAERO c1c(C2CC2)nn2ccnc(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c12 ZINC000631338526 424833983 /nfs/dbraw/zinc/83/39/83/424833983.db2.gz LRVBIBPVHPYTMB-HOCLYGCPSA-N 1 0 311.433 3.036 10 0 DGAERO c1ccc2c(c1)nc(CN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)n2C1CC1 ZINC000355503441 266096148 /nfs/dbraw/zinc/09/61/48/266096148.db2.gz AYPYUKQOBFYXNY-GOEBONIOSA-N 1 0 310.445 3.088 10 0 DGAERO c1c(CNC2CC([NH+]3CCCCC3)C2)[nH]nc1-c1ccccc1 ZINC000355589954 266125649 /nfs/dbraw/zinc/12/56/49/266125649.db2.gz YSBNXORCDPUYDP-UHFFFAOYSA-N 1 0 310.445 3.183 10 0 DGAERO CN(C(=O)C[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000172757046 432234425 /nfs/dbraw/zinc/23/44/25/432234425.db2.gz AMWQHRAVRVOJAQ-DLBZAZTESA-N 1 0 300.446 3.049 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCCSCC(C)C ZINC000151273765 432234622 /nfs/dbraw/zinc/23/46/22/432234622.db2.gz FOWIBLSEFQVNJA-HNNXBMFYSA-N 1 0 300.512 3.099 10 0 DGAERO Cc1c([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cnn1C(C)(C)C ZINC000191204691 432234718 /nfs/dbraw/zinc/23/47/18/432234718.db2.gz FUQMWHTWAXMFHB-LBPRGKRZSA-N 1 0 319.424 3.429 10 0 DGAERO CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000247521898 432237161 /nfs/dbraw/zinc/23/71/61/432237161.db2.gz WMJIRIUWROOGIQ-GJZGRUSLSA-N 1 0 313.445 3.216 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1Cl ZINC000247533167 432239764 /nfs/dbraw/zinc/23/97/64/432239764.db2.gz XSYQCCPVZFEHCN-PWSUYJOCSA-N 1 0 313.228 3.302 10 0 DGAERO Cc1ccc(-c2cc(C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)on2)cc1 ZINC000191254606 432240903 /nfs/dbraw/zinc/24/09/03/432240903.db2.gz ALJJTQRAYRTJQJ-KBPBESRZSA-N 1 0 300.402 3.384 10 0 DGAERO Cc1ccc(N2CCC[N@@H+]([C@H]3CCCc4ccccc43)CC2)nn1 ZINC000247574574 432242643 /nfs/dbraw/zinc/24/26/43/432242643.db2.gz HPEDEGDIZJRSQV-IBGZPJMESA-N 1 0 322.456 3.375 10 0 DGAERO C[C@@H](CCc1ccccc1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247588739 432243013 /nfs/dbraw/zinc/24/30/13/432243013.db2.gz JIUKWLYUCDZSAK-HKUYNNGSSA-N 1 0 324.472 3.399 10 0 DGAERO CC[C@@H]1C[N@@H+]([C@H](C)CCc2ccccc2)CCN1CCOC ZINC000247609399 432242757 /nfs/dbraw/zinc/24/27/57/432242757.db2.gz MEGFDDSMNMZDID-IEBWSBKVSA-N 1 0 304.478 3.050 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000247618052 432243327 /nfs/dbraw/zinc/24/33/27/432243327.db2.gz STRITLJVRZYLDK-JKSUJKDBSA-N 1 0 316.445 3.279 10 0 DGAERO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000172933168 432245896 /nfs/dbraw/zinc/24/58/96/432245896.db2.gz RXKWXZBKXWTZNQ-UONOGXRCSA-N 1 0 321.440 3.005 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](O)COCC(C)C)CCCO2 ZINC000151438104 432246501 /nfs/dbraw/zinc/24/65/01/432246501.db2.gz RWLMXXSSKQHUSW-AEFFLSMTSA-N 1 0 321.461 3.140 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)C[C@H]1C ZINC000247688341 432246628 /nfs/dbraw/zinc/24/66/28/432246628.db2.gz PWMASGPCPVIDQA-KYHPRHEASA-N 1 0 313.482 3.131 10 0 DGAERO C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000151474690 432248223 /nfs/dbraw/zinc/24/82/23/432248223.db2.gz QFHXGQBOTVJIPB-HIFRSBDPSA-N 1 0 302.443 3.271 10 0 DGAERO C[N@H+]([C@H]1CCCN(c2cccnn2)C1)[C@H]1CCCc2ccccc21 ZINC000247741368 432248658 /nfs/dbraw/zinc/24/86/58/432248658.db2.gz NSWOPZYVZFGTQF-HKUYNNGSSA-N 1 0 322.456 3.455 10 0 DGAERO COC[C@@H](C)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000045656252 270952797 /nfs/dbraw/zinc/95/27/97/270952797.db2.gz USQSKWKVAWFIGU-QWHCGFSZSA-N 1 0 301.377 3.481 10 0 DGAERO C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCc3ccccc32)c1 ZINC000045640103 270952803 /nfs/dbraw/zinc/95/28/03/270952803.db2.gz UBPMYGKRZNHAEO-IBGZPJMESA-N 1 0 323.440 3.235 10 0 DGAERO CC(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368436152 271159037 /nfs/dbraw/zinc/15/90/37/271159037.db2.gz WTHGVUOVBCSRIW-YESZJQIVSA-N 1 0 300.446 3.059 10 0 DGAERO C[C@H](NC(=O)N1CCC2(C1)CCCCC2)C1=CC[N@H+](C)CC1 ZINC000369998168 271331933 /nfs/dbraw/zinc/33/19/33/271331933.db2.gz QVLCWXZIBYRUPL-HNNXBMFYSA-N 1 0 305.466 3.003 10 0 DGAERO CSCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000370338349 271355894 /nfs/dbraw/zinc/35/58/94/271355894.db2.gz AZMOSSMODBXZAC-CYBMUJFWSA-N 1 0 321.421 3.418 10 0 DGAERO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247815893 432251192 /nfs/dbraw/zinc/25/11/92/432251192.db2.gz WFKGBCNOXUTRGM-ZIAGYGMSSA-N 1 0 304.825 3.405 10 0 DGAERO O=C(c1cccc2cc[nH]c21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000172978717 432250872 /nfs/dbraw/zinc/25/08/72/432250872.db2.gz LYRMXUAJADOSBB-UHFFFAOYSA-N 1 0 311.429 3.116 10 0 DGAERO Cc1ccc(CCC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000247868652 432251767 /nfs/dbraw/zinc/25/17/67/432251767.db2.gz JZJBKRBBOACWOH-UHFFFAOYSA-N 1 0 302.462 3.308 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000191342355 432252132 /nfs/dbraw/zinc/25/21/32/432252132.db2.gz AIPPDRYBPXRVQA-IRXDYDNUSA-N 1 0 305.466 3.115 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1c1ccccc1 ZINC000247920950 432253609 /nfs/dbraw/zinc/25/36/09/432253609.db2.gz BSJRJIASFHJWRQ-VQTJNVASSA-N 1 0 320.436 3.351 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)CC2 ZINC000151525106 432253691 /nfs/dbraw/zinc/25/36/91/432253691.db2.gz ACOYUQIWMQWZQJ-SFHVURJKSA-N 1 0 304.397 3.353 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247939765 432254269 /nfs/dbraw/zinc/25/42/69/432254269.db2.gz CWONLZCOUCEJOI-BHIYHBOVSA-N 1 0 319.493 3.087 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1 ZINC000247962217 432255725 /nfs/dbraw/zinc/25/57/25/432255725.db2.gz CZXKMQGTINRYQR-DLBZAZTESA-N 1 0 316.351 3.140 10 0 DGAERO CCC[C@@H](C(=O)N(C)Cc1ccc(SC)c(OC)c1)[NH+](C)C ZINC000126122384 273616290 /nfs/dbraw/zinc/61/62/90/273616290.db2.gz GRCITOGUHAPKEY-AWEZNQCLSA-N 1 0 324.490 3.106 10 0 DGAERO c1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)no1 ZINC000247992973 432258152 /nfs/dbraw/zinc/25/81/52/432258152.db2.gz JPKKTJAUKBBNNW-IEBWSBKVSA-N 1 0 311.429 3.161 10 0 DGAERO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000467357207 274056952 /nfs/dbraw/zinc/05/69/52/274056952.db2.gz HLXCMZHSUFMIST-AGIUHOORSA-N 1 0 312.841 3.379 10 0 DGAERO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)o1 ZINC000247987673 274188327 /nfs/dbraw/zinc/18/83/27/274188327.db2.gz IQCWGUJFBOBYNC-XJKSGUPXSA-N 1 0 316.426 3.177 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc2ccccc2o1 ZINC000178057659 274253046 /nfs/dbraw/zinc/25/30/46/274253046.db2.gz MBMNNJZDURTRCP-CYBMUJFWSA-N 1 0 319.368 3.259 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1F ZINC000192811992 274261637 /nfs/dbraw/zinc/26/16/37/274261637.db2.gz RSSBTXITCORJHG-OCCSQVGLSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1Br ZINC000083550774 274374040 /nfs/dbraw/zinc/37/40/40/274374040.db2.gz CPCDKPPAWXYPLE-TZMCWYRMSA-N 1 0 309.251 3.118 10 0 DGAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(F)cc1N(C)C ZINC000178361184 274524048 /nfs/dbraw/zinc/52/40/48/274524048.db2.gz CFHSVOVUHONWQW-WILYLXEWSA-N 1 0 314.404 3.201 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262554830 274699855 /nfs/dbraw/zinc/69/98/55/274699855.db2.gz TYAGWYQLZXTRCV-HACGYAERSA-N 1 0 322.836 3.119 10 0 DGAERO CC(C)N(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000247987636 432259850 /nfs/dbraw/zinc/25/98/50/432259850.db2.gz IPSLAVORRROYQN-IRXDYDNUSA-N 1 0 301.434 3.014 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCCO1 ZINC000183110285 432260163 /nfs/dbraw/zinc/26/01/63/432260163.db2.gz DKELPFDQRMHHKN-DOMZBBRYSA-N 1 0 308.447 3.117 10 0 DGAERO O=C1[C@H]([NH2+][C@@H]2CCCc3occc32)CCCN1c1ccccc1 ZINC000192866507 275030742 /nfs/dbraw/zinc/03/07/42/275030742.db2.gz NUIVEMHBJOTMQN-IAGOWNOFSA-N 1 0 310.397 3.442 10 0 DGAERO c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]3CCOC3)C1)CO2 ZINC000467357060 275070488 /nfs/dbraw/zinc/07/04/88/275070488.db2.gz WIWFISRHLZSHSX-DDBAPUKQSA-N 1 0 301.430 3.175 10 0 DGAERO c1cn(CCC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)nn1 ZINC000183146792 275072701 /nfs/dbraw/zinc/07/27/01/275072701.db2.gz UXRDVTDWKVSYBK-IBGZPJMESA-N 1 0 306.413 3.242 10 0 DGAERO Brc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCCOC1 ZINC000268838893 275375187 /nfs/dbraw/zinc/37/51/87/275375187.db2.gz CDWOKPFRKBIZTK-GWCFXTLKSA-N 1 0 312.207 3.041 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccco2)c2ccc(F)cc2C1 ZINC000185353201 275465482 /nfs/dbraw/zinc/46/54/82/275465482.db2.gz RFEMUJZHPXDKLK-QGZVFWFLSA-N 1 0 302.349 3.002 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000175404637 275750259 /nfs/dbraw/zinc/75/02/59/275750259.db2.gz GVTQWKFKSJEZMR-IAGOWNOFSA-N 1 0 300.446 3.124 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000173923319 276073002 /nfs/dbraw/zinc/07/30/02/276073002.db2.gz KNRSBFFRYFAXLQ-AWEZNQCLSA-N 1 0 317.408 3.254 10 0 DGAERO CC[N@H+](CC(=O)[O-])C1CC[NH+](CCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000186687706 276087937 /nfs/dbraw/zinc/08/79/37/276087937.db2.gz FAKGKCSJBMHDDD-HOTGVXAUSA-N 1 0 324.509 3.320 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000173582037 276106113 /nfs/dbraw/zinc/10/61/13/276106113.db2.gz KKIKZHKTHOXQDG-JQHSSLGASA-N 1 0 306.494 3.393 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(-c2ccccc2)on1 ZINC000085610217 276117051 /nfs/dbraw/zinc/11/70/51/276117051.db2.gz NUYNVXVWZXUHJY-CYBMUJFWSA-N 1 0 316.405 3.193 10 0 DGAERO CC1(C)CN(C(=O)c2cc(C(F)(F)F)ccc2F)CC[C@@H]1[NH3+] ZINC000262498940 276127434 /nfs/dbraw/zinc/12/74/34/276127434.db2.gz LSRDALHXESRIIV-LBPRGKRZSA-N 1 0 318.314 3.044 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000177770989 276233175 /nfs/dbraw/zinc/23/31/75/276233175.db2.gz OCEVBTUKRKSUHL-XMTFNYHQSA-N 1 0 304.478 3.288 10 0 DGAERO CCOC[C@@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000044691656 276329432 /nfs/dbraw/zinc/32/94/32/276329432.db2.gz MZOSRRLHHNUWFO-MFKMUULPSA-N 1 0 314.223 3.287 10 0 DGAERO CCOC[C@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000044691658 276332426 /nfs/dbraw/zinc/33/24/26/276332426.db2.gz MZOSRRLHHNUWFO-GWCFXTLKSA-N 1 0 314.223 3.287 10 0 DGAERO CCOc1cc(Cl)ccc1C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000182272551 276369673 /nfs/dbraw/zinc/36/96/73/276369673.db2.gz MUWZLHCURMUOPE-CQSZACIVSA-N 1 0 324.852 3.295 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000245454915 276371010 /nfs/dbraw/zinc/37/10/10/276371010.db2.gz AHUFXEXVVDVSCH-IAGOWNOFSA-N 1 0 317.477 3.047 10 0 DGAERO C[C@@H](CSc1nnc(Nc2ccccc2F)s1)[NH+](C)C ZINC000479232953 429719785 /nfs/dbraw/zinc/71/97/85/429719785.db2.gz XSPKHFIZNRTXII-VIFPVBQESA-N 1 0 312.439 3.463 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1 ZINC000055339761 276801174 /nfs/dbraw/zinc/80/11/74/276801174.db2.gz LKRWOPSTWMZCOE-KRWDZBQOSA-N 1 0 315.392 3.120 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000183475691 276891797 /nfs/dbraw/zinc/89/17/97/276891797.db2.gz DYECGVOQEJTOML-AWEZNQCLSA-N 1 0 313.426 3.115 10 0 DGAERO C[NH2+]CCC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262349263 277021038 /nfs/dbraw/zinc/02/10/38/277021038.db2.gz GFHRNHTVBSXDFX-CQSZACIVSA-N 1 0 314.351 3.369 10 0 DGAERO Cc1ccc2[nH]c(CNc3nc(C)nc4c3CCCC4)nc2c1 ZINC000541090209 430184528 /nfs/dbraw/zinc/18/45/28/430184528.db2.gz OGBVKOLHIGGUJL-UHFFFAOYSA-N 1 0 307.401 3.461 10 0 DGAERO CC(C)(C)c1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)n(C(C)(C)C)n1 ZINC000236781167 277265628 /nfs/dbraw/zinc/26/56/28/277265628.db2.gz SWUGNSBFIMYDKB-QWHCGFSZSA-N 1 0 320.481 3.392 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc4cccnc43)[C@@H]2C1 ZINC000158171165 277297035 /nfs/dbraw/zinc/29/70/35/277297035.db2.gz DSLSPGNXMZCRPD-KZNAEPCWSA-N 1 0 312.413 3.003 10 0 DGAERO COC1([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)CCOCC1 ZINC000453207195 277474678 /nfs/dbraw/zinc/47/46/78/277474678.db2.gz ZIAXDXOUFLOOJA-SZMVWBNQSA-N 1 0 319.445 3.080 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)CC(C)(C)C1 ZINC000174361739 278028157 /nfs/dbraw/zinc/02/81/57/278028157.db2.gz KRXSMQJDSCFMMY-OAGGEKHMSA-N 1 0 302.466 3.250 10 0 DGAERO CC(=O)N1CC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)[C@@H](C)C1 ZINC000474281828 278041473 /nfs/dbraw/zinc/04/14/73/278041473.db2.gz FFWODEJMIFVFCE-QFBILLFUSA-N 1 0 302.462 3.369 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179645427 278091202 /nfs/dbraw/zinc/09/12/02/278091202.db2.gz MTTBKQQFIPLMHD-CQSZACIVSA-N 1 0 324.900 3.257 10 0 DGAERO C[C@H](C[N@@H+]1C[C@H](C)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449026454 278195497 /nfs/dbraw/zinc/19/54/97/278195497.db2.gz GCFJKHVVCACXCK-ZIAGYGMSSA-N 1 0 309.475 3.314 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000248433628 278204759 /nfs/dbraw/zinc/20/47/59/278204759.db2.gz DIQDZIAYZZFYRX-DUOKCRBOSA-N 1 0 302.418 3.253 10 0 DGAERO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187861430 278222060 /nfs/dbraw/zinc/22/20/60/278222060.db2.gz KGXHAERSBRGPLM-WFASDCNBSA-N 1 0 308.397 3.090 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccncc1 ZINC000174104749 278381908 /nfs/dbraw/zinc/38/19/08/278381908.db2.gz RQCZWOBCFQNLHT-DYVFJYSZSA-N 1 0 313.376 3.067 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(F)cc(F)c1 ZINC000176272896 278382101 /nfs/dbraw/zinc/38/21/01/278382101.db2.gz GCJTYIPHVFCBNW-WBMJQRKESA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000192930581 278387435 /nfs/dbraw/zinc/38/74/35/278387435.db2.gz XRPRFDLZVSIOKS-ACJLOTCBSA-N 1 0 315.438 3.428 10 0 DGAERO C[C@@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)[C@H]1C[NH3+] ZINC000252155290 278483584 /nfs/dbraw/zinc/48/35/84/278483584.db2.gz NDUWLEJAQUJZNI-YGRLFVJLSA-N 1 0 304.331 3.404 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000192945473 278670021 /nfs/dbraw/zinc/67/00/21/278670021.db2.gz PEIGUYPKYMUKFP-UHFFFAOYSA-N 1 0 304.478 3.048 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000247150969 288068312 /nfs/dbraw/zinc/06/83/12/288068312.db2.gz RNVBKSPDYYWCMF-NXOAAHMSSA-N 1 0 317.429 3.456 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000150953412 278737524 /nfs/dbraw/zinc/73/75/24/278737524.db2.gz QNNWEWSFYNJWSN-HUUCEWRRSA-N 1 0 302.422 3.123 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245914851 279213340 /nfs/dbraw/zinc/21/33/40/279213340.db2.gz VYGPVJLPXWELMW-RBSFLKMASA-N 1 0 323.506 3.186 10 0 DGAERO C[C@H]([NH3+])CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000261842628 279394579 /nfs/dbraw/zinc/39/45/79/279394579.db2.gz LDRRUSXKRJRNJL-NSHDSACASA-N 1 0 314.351 3.149 10 0 DGAERO C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1ccccc1F ZINC000108959164 431163186 /nfs/dbraw/zinc/16/31/86/431163186.db2.gz UWEMQTAJUPRXSL-KBXCAEBGSA-N 1 0 314.404 3.348 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135890 431163423 /nfs/dbraw/zinc/16/34/23/431163423.db2.gz PZNLYOUZYLGWFO-PBHICJAKSA-N 1 0 309.475 3.113 10 0 DGAERO CC(C)(C)c1cnc(CN2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000069586553 431202021 /nfs/dbraw/zinc/20/20/21/431202021.db2.gz WWTJASFLPXZSDV-UHFFFAOYSA-N 1 0 305.466 3.280 10 0 DGAERO CCCC[N@H+](CCOC)Cc1nc2cc(F)ccc2n1CC ZINC000068851439 431147225 /nfs/dbraw/zinc/14/72/25/431147225.db2.gz HHAYUGHURXIACL-UHFFFAOYSA-N 1 0 307.413 3.444 10 0 DGAERO CSc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000112246534 431258062 /nfs/dbraw/zinc/25/80/62/431258062.db2.gz IMZYBSFWTQFTSY-CYBMUJFWSA-N 1 0 308.447 3.092 10 0 DGAERO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000069870429 431230408 /nfs/dbraw/zinc/23/04/08/431230408.db2.gz PXOWSMUWMGVLCG-RTBURBONSA-N 1 0 312.413 3.054 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000111647978 431233057 /nfs/dbraw/zinc/23/30/57/431233057.db2.gz DWDNEUWIOPNPBF-VAMGGRTRSA-N 1 0 322.452 3.079 10 0 DGAERO C[C@H]([NH3+])[C@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000070173827 431243743 /nfs/dbraw/zinc/24/37/43/431243743.db2.gz FSDCFIDRCLEIOX-RYUDHWBXSA-N 1 0 317.260 3.431 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000112014569 431244120 /nfs/dbraw/zinc/24/41/20/431244120.db2.gz ALYZBZALMPFWFP-IEBWSBKVSA-N 1 0 314.473 3.342 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000112014560 431244722 /nfs/dbraw/zinc/24/47/22/431244722.db2.gz ALYZBZALMPFWFP-HKUYNNGSSA-N 1 0 314.473 3.342 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CCCC1 ZINC000070305124 431248260 /nfs/dbraw/zinc/24/82/60/431248260.db2.gz OFXWXFITUYBKGI-XHDPSFHLSA-N 1 0 311.422 3.213 10 0 DGAERO CC[NH+](CC)CCOC(=O)c1cc2cc(COC)ccc2o1 ZINC000002501577 431255182 /nfs/dbraw/zinc/25/51/82/431255182.db2.gz CTIZNTCXOHTWMF-UHFFFAOYSA-N 1 0 305.374 3.078 10 0 DGAERO Cc1cc(C)cc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1 ZINC000071790609 431286780 /nfs/dbraw/zinc/28/67/80/431286780.db2.gz GRDJSTQQMVNOOT-HOTGVXAUSA-N 1 0 304.434 3.355 10 0 DGAERO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C2CC2)CC1 ZINC000112339008 431266699 /nfs/dbraw/zinc/26/66/99/431266699.db2.gz DEANRPHGAHULQH-LBPRGKRZSA-N 1 0 309.251 3.290 10 0 DGAERO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000112384200 431269836 /nfs/dbraw/zinc/26/98/36/431269836.db2.gz RCUOCVAJWZGYSN-OAHLLOKOSA-N 1 0 317.477 3.385 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)CCCCC2 ZINC000089107156 279636250 /nfs/dbraw/zinc/63/62/50/279636250.db2.gz RDNUWZYSMZPYDQ-KBPBESRZSA-N 1 0 306.475 3.264 10 0 DGAERO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000113938643 431369208 /nfs/dbraw/zinc/36/92/08/431369208.db2.gz RBOGIZGOICHSKN-MRXNPFEDSA-N 1 0 318.461 3.497 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1ccc(Cl)s1 ZINC000072012912 431324982 /nfs/dbraw/zinc/32/49/82/431324982.db2.gz LRUOJJDRBNIOPM-LBPRGKRZSA-N 1 0 316.898 3.427 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000113228911 431333721 /nfs/dbraw/zinc/33/37/21/431333721.db2.gz ORWKUGPDIJODHD-CZUORRHYSA-N 1 0 318.848 3.067 10 0 DGAERO CCSCc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113231064 431334028 /nfs/dbraw/zinc/33/40/28/431334028.db2.gz HJIIFSMXITXKJZ-YOEHRIQHSA-N 1 0 318.486 3.248 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccccc1Cl ZINC000113224739 431334622 /nfs/dbraw/zinc/33/46/22/431334622.db2.gz OJNHJWDEMGAXKG-CHWSQXEVSA-N 1 0 324.877 3.127 10 0 DGAERO C[C@H]1CCCN(c2ncc(Cl)cc2Br)[C@H]1C[NH3+] ZINC000253366109 279672772 /nfs/dbraw/zinc/67/27/72/279672772.db2.gz QNWZTGACALGHOR-KWQFWETISA-N 1 0 318.646 3.061 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000113233572 431336124 /nfs/dbraw/zinc/33/61/24/431336124.db2.gz VXQLWZDTIRDXOA-QMTHXVAHSA-N 1 0 313.228 3.302 10 0 DGAERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1SC ZINC000113266884 431337458 /nfs/dbraw/zinc/33/74/58/431337458.db2.gz FHZHWWZHRXFCFK-DZGCQCFKSA-N 1 0 306.475 3.086 10 0 DGAERO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2nnc(C3CC3)n2C)cc1 ZINC000113264078 431339557 /nfs/dbraw/zinc/33/95/57/431339557.db2.gz PYSJJWADDUENSF-QGZVFWFLSA-N 1 0 310.445 3.208 10 0 DGAERO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2OC)C1 ZINC000072838051 431351342 /nfs/dbraw/zinc/35/13/42/431351342.db2.gz VIPLUEGUVWFNHJ-ZIAGYGMSSA-N 1 0 322.474 3.240 10 0 DGAERO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1OC ZINC000072901381 431352865 /nfs/dbraw/zinc/35/28/65/431352865.db2.gz ISRJBTPJENFEPG-ZDUSSCGKSA-N 1 0 310.463 3.097 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000072897047 431355322 /nfs/dbraw/zinc/35/53/22/431355322.db2.gz DAZHXRUTCMRGOE-KBPBESRZSA-N 1 0 302.418 3.338 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113578090 431355853 /nfs/dbraw/zinc/35/58/53/431355853.db2.gz ZMNGABVNDWEECJ-MRXNPFEDSA-N 1 0 317.477 3.337 10 0 DGAERO COc1cc(C)sc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000113884501 431366246 /nfs/dbraw/zinc/36/62/46/431366246.db2.gz ABILDSUJDFGQMS-UHFFFAOYSA-N 1 0 322.474 3.013 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000008196762 431385944 /nfs/dbraw/zinc/38/59/44/431385944.db2.gz XGELWVJUTJFZOX-GFCCVEGCSA-N 1 0 320.795 3.446 10 0 DGAERO c1[nH]c([C@H]2CCC[N@@H+](C[C@@H]3CCCO3)C2)nc1-c1ccccc1 ZINC000114481803 431390927 /nfs/dbraw/zinc/39/09/27/431390927.db2.gz AIFWDMCNLYRDQE-IRXDYDNUSA-N 1 0 311.429 3.435 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000114481352 431392202 /nfs/dbraw/zinc/39/22/02/431392202.db2.gz NCVOEYIZCPIKFM-QGZVFWFLSA-N 1 0 321.428 3.190 10 0 DGAERO CCS[C@@H]1CCCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114563071 431396772 /nfs/dbraw/zinc/39/67/72/431396772.db2.gz VQXOKBNPSFHUEU-QZTJIDSGSA-N 1 0 323.502 3.172 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000074037004 431397241 /nfs/dbraw/zinc/39/72/41/431397241.db2.gz DMTYIVQCXZEHAL-ZDUSSCGKSA-N 1 0 322.424 3.132 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCc1ccccc1F ZINC000114745572 431409867 /nfs/dbraw/zinc/40/98/67/431409867.db2.gz PUQBOCJEWHCSHH-GJZGRUSLSA-N 1 0 314.404 3.490 10 0 DGAERO CC(C)CCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115694249 431470485 /nfs/dbraw/zinc/47/04/85/431470485.db2.gz AZJDXLKFJLXOLV-UHFFFAOYSA-N 1 0 309.429 3.123 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)N2CCCC(C)(C)C2)ccc1F ZINC000115845015 431474734 /nfs/dbraw/zinc/47/47/34/431474734.db2.gz BGQGBSXWLAIMFD-UHFFFAOYSA-N 1 0 321.440 3.219 10 0 DGAERO CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1CCCCC1 ZINC000115845271 431474968 /nfs/dbraw/zinc/47/49/68/431474968.db2.gz UJMRFGHPDPXHOD-UHFFFAOYSA-N 1 0 321.440 3.361 10 0 DGAERO Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)s1 ZINC000075411068 431475855 /nfs/dbraw/zinc/47/58/55/431475855.db2.gz DONXVWVTGZGMAA-OAHLLOKOSA-N 1 0 317.458 3.351 10 0 DGAERO CCC[NH+]1CCC(N(C)C(=O)NC2CCC(C)(C)CC2)CC1 ZINC000074508611 431428345 /nfs/dbraw/zinc/42/83/45/431428345.db2.gz YDAVGGSUFMATOC-UHFFFAOYSA-N 1 0 309.498 3.471 10 0 DGAERO C[C@H](CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc(F)c1 ZINC000116006096 431480082 /nfs/dbraw/zinc/48/00/82/431480082.db2.gz BBPUQXYSOORNJH-RHSMWYFYSA-N 1 0 304.409 3.016 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)NC[C@@H](C)C[NH+]3CCCC3)cc21 ZINC000116730738 431525064 /nfs/dbraw/zinc/52/50/64/431525064.db2.gz CXWLDEDKSQCXTC-GFCCVEGCSA-N 1 0 317.408 3.077 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCCCCSC)C12CCOCC2 ZINC000186772968 279919238 /nfs/dbraw/zinc/91/92/38/279919238.db2.gz AVLKDBGCYOYARF-CABCVRRESA-N 1 0 301.496 3.084 10 0 DGAERO COC(=O)c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116293168 431501031 /nfs/dbraw/zinc/50/10/31/431501031.db2.gz FXTAGWBAIYKNEB-MRXNPFEDSA-N 1 0 315.369 3.282 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)cn1 ZINC000116311390 431502862 /nfs/dbraw/zinc/50/28/62/431502862.db2.gz YGOOMNYXVRUMNI-CYBMUJFWSA-N 1 0 320.234 3.172 10 0 DGAERO CCC(CC)(CO)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000116347656 431504976 /nfs/dbraw/zinc/50/49/76/431504976.db2.gz QVZYFOSRCUASCE-UHFFFAOYSA-N 1 0 305.340 3.268 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc(Br)c3)C2)cn1 ZINC000116407712 431508948 /nfs/dbraw/zinc/50/89/48/431508948.db2.gz ZGBCRLDZPBTFFQ-ZDUSSCGKSA-N 1 0 320.234 3.172 10 0 DGAERO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116404344 431509665 /nfs/dbraw/zinc/50/96/65/431509665.db2.gz LHXQVSMEKIIJTO-ZFWWWQNUSA-N 1 0 307.415 3.056 10 0 DGAERO C[C@H](c1ccccc1F)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075968729 431511884 /nfs/dbraw/zinc/51/18/84/431511884.db2.gz BOFWRFVLTFVQRN-HZPDHXFCSA-N 1 0 306.425 3.073 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000075982237 431512389 /nfs/dbraw/zinc/51/23/89/431512389.db2.gz XGRHHQXRINPLLH-MLGOLLRUSA-N 1 0 321.852 3.012 10 0 DGAERO CC[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000117342946 431556053 /nfs/dbraw/zinc/55/60/53/431556053.db2.gz FKONXLBDKFGISM-KGLIPLIRSA-N 1 0 320.399 3.299 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ccccc3n2)[C@H](C)C1 ZINC000076485590 431551763 /nfs/dbraw/zinc/55/17/63/431551763.db2.gz QSOWMHYYVCVUNW-RDTXWAMCSA-N 1 0 311.429 3.037 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000076479972 431551835 /nfs/dbraw/zinc/55/18/35/431551835.db2.gz OOGSHSBMYJQQLD-CJNGLKHVSA-N 1 0 308.853 3.071 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2coc3ccccc23)[C@H](C)C1 ZINC000076479864 431554111 /nfs/dbraw/zinc/55/41/11/431554111.db2.gz XXYRKTYJAHGDDR-CJNGLKHVSA-N 1 0 300.402 3.235 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000249356132 280023189 /nfs/dbraw/zinc/02/31/89/280023189.db2.gz RCKSJTLXXAJVPA-BZSNNMDCSA-N 1 0 306.494 3.393 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(Cl)cc1Cl ZINC000050394921 280197315 /nfs/dbraw/zinc/19/73/15/280197315.db2.gz OTLNOQNQGHKXFZ-OLZOCXBDSA-N 1 0 301.217 3.313 10 0 DGAERO CC(C)[NH+](CCNC(=O)C[C@H]1CCOc2ccccc21)C(C)C ZINC000117746534 431576139 /nfs/dbraw/zinc/57/61/39/431576139.db2.gz ZYVCMIFPLYHCSD-MRXNPFEDSA-N 1 0 318.461 3.178 10 0 DGAERO CC(C)[NH+](CCNC(=O)C[C@@H]1CCOc2ccccc21)C(C)C ZINC000117746532 431577074 /nfs/dbraw/zinc/57/70/74/431577074.db2.gz ZYVCMIFPLYHCSD-INIZCTEOSA-N 1 0 318.461 3.178 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000077456000 431597845 /nfs/dbraw/zinc/59/78/45/431597845.db2.gz CXMFZKZEUQQKDI-GOSISDBHSA-N 1 0 301.434 3.149 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000118422393 431604983 /nfs/dbraw/zinc/60/49/83/431604983.db2.gz USWLRYBNDCPRJG-YOEHRIQHSA-N 1 0 306.475 3.080 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000117786577 431579766 /nfs/dbraw/zinc/57/97/66/431579766.db2.gz DDBJQEJQJLZAJO-MRXNPFEDSA-N 1 0 316.445 3.174 10 0 DGAERO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000178189812 280425522 /nfs/dbraw/zinc/42/55/22/280425522.db2.gz ZNVKTRCHONZKFW-AEFFLSMTSA-N 1 0 310.445 3.413 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000077612490 431611854 /nfs/dbraw/zinc/61/18/54/431611854.db2.gz UFZFROBEPXDVHS-MSOLQXFVSA-N 1 0 300.446 3.124 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3NC[C@H]1CCC[NH2+]1)CCCC2 ZINC000423241728 280463201 /nfs/dbraw/zinc/46/32/01/280463201.db2.gz VIHLFTRSZUPPER-SJLPKXTDSA-N 1 0 300.446 3.121 10 0 DGAERO CCC[N@@H+](Cc1ccc(C(=O)OC)s1)C[C@H]1CCCCO1 ZINC000119034608 431637160 /nfs/dbraw/zinc/63/71/60/431637160.db2.gz KMQBBZHZTLFOSQ-CYBMUJFWSA-N 1 0 311.447 3.316 10 0 DGAERO CCSCC[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000119134699 431649383 /nfs/dbraw/zinc/64/93/83/431649383.db2.gz XLRKLWNVVDAXOF-UHFFFAOYSA-N 1 0 305.447 3.011 10 0 DGAERO Fc1ccc(Cl)cc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000119117218 431650317 /nfs/dbraw/zinc/65/03/17/431650317.db2.gz BYZDTWCINVPCHB-CQSZACIVSA-N 1 0 320.799 3.028 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000025943935 431668239 /nfs/dbraw/zinc/66/82/39/431668239.db2.gz XHBXABSGHRCMGV-CQSZACIVSA-N 1 0 317.458 3.348 10 0 DGAERO Cc1cc(N2CCC3(CC2)OC[C@H](C)O3)c2cc(F)ccc2[nH+]1 ZINC000301693332 280547336 /nfs/dbraw/zinc/54/73/36/280547336.db2.gz XRERZGXDEVPUJT-ZDUSSCGKSA-N 1 0 316.376 3.414 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3ccccc32)C1 ZINC000119430482 431692275 /nfs/dbraw/zinc/69/22/75/431692275.db2.gz QNDHNGBKYJNAQX-VQIMIIECSA-N 1 0 308.425 3.396 10 0 DGAERO CC(C)[N@H+](Cc1cn2cc(Cl)ccc2n1)C1CCOCC1 ZINC000119576028 431709066 /nfs/dbraw/zinc/70/90/66/431709066.db2.gz QAGSCMBSWBBKNT-UHFFFAOYSA-N 1 0 307.825 3.377 10 0 DGAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)CCC1CCOCC1 ZINC000120469234 431726864 /nfs/dbraw/zinc/72/68/64/431726864.db2.gz FFYIMLQQHKIVPI-JKSUJKDBSA-N 1 0 318.461 3.001 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1F ZINC000120964562 431737862 /nfs/dbraw/zinc/73/78/62/431737862.db2.gz OWVDSEONVXKZRX-FZKQIMNGSA-N 1 0 312.388 3.198 10 0 DGAERO O[C@H](COCc1ccco1)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000120971850 431738442 /nfs/dbraw/zinc/73/84/42/431738442.db2.gz FEHRMYPXXLAMDP-INIZCTEOSA-N 1 0 319.401 3.195 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc2cc[nH]c21 ZINC000079677814 431741101 /nfs/dbraw/zinc/74/11/01/431741101.db2.gz XIYTVMLIMZUTAD-KRWDZBQOSA-N 1 0 321.424 3.071 10 0 DGAERO C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CCCC1 ZINC000121183954 431751637 /nfs/dbraw/zinc/75/16/37/431751637.db2.gz RSYNASOXWLDXJC-HXUWFJFHSA-N 1 0 316.489 3.306 10 0 DGAERO O=C(Cc1ccccc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177333 431717422 /nfs/dbraw/zinc/71/74/22/431717422.db2.gz XYQSHUPPPZGJTG-IBGZPJMESA-N 1 0 308.425 3.182 10 0 DGAERO O=C1CC[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@@H+]3CC2CC2)C1 ZINC000029476583 431722336 /nfs/dbraw/zinc/72/23/36/431722336.db2.gz WGEOQAZWFGLHIA-SXLOBPIMSA-N 1 0 311.425 3.040 10 0 DGAERO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)s1 ZINC000121486222 431791611 /nfs/dbraw/zinc/79/16/11/431791611.db2.gz RLZCXYOEPUOZAH-CQSZACIVSA-N 1 0 306.475 3.289 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C/C=C/c1ccc(F)cc1 ZINC000081585990 431796319 /nfs/dbraw/zinc/79/63/19/431796319.db2.gz QOHOIJJDCLLRKF-HFPBVCCTSA-N 1 0 318.436 3.466 10 0 DGAERO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000121532385 431801516 /nfs/dbraw/zinc/80/15/16/431801516.db2.gz MHJARSRPLFPCRR-ZFWWWQNUSA-N 1 0 322.424 3.276 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1Br ZINC000083550776 431810412 /nfs/dbraw/zinc/81/04/12/431810412.db2.gz CPCDKPPAWXYPLE-GXTWGEPZSA-N 1 0 309.251 3.118 10 0 DGAERO O[C@@H](CN1CCO[C@H](c2ccco2)C1)c1ccccc1Cl ZINC000121357897 431775557 /nfs/dbraw/zinc/77/55/57/431775557.db2.gz SDIVQYSMBZOFHW-HOCLYGCPSA-N 1 0 307.777 3.040 10 0 DGAERO Cc1ccc(C[C@H](C)NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1 ZINC000121353642 431776581 /nfs/dbraw/zinc/77/65/81/431776581.db2.gz PKDWEOQHPXGZML-XEZPLFJOSA-N 1 0 323.506 3.015 10 0 DGAERO CC(=O)NCCC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000121423368 431783241 /nfs/dbraw/zinc/78/32/41/431783241.db2.gz WKSZHSXAZWSPIV-MRVPVSSYSA-N 1 0 307.196 3.309 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000085963085 431842176 /nfs/dbraw/zinc/84/21/76/431842176.db2.gz DSZOSFAWIISFEF-BXUZGUMPSA-N 1 0 316.214 3.229 10 0 DGAERO CCCCCC[C@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000036954875 431842912 /nfs/dbraw/zinc/84/29/12/431842912.db2.gz IXRMTMABCJWAEV-UONOGXRCSA-N 1 0 312.479 3.344 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)C1CCC([NH3+])CC1 ZINC000037630188 431848778 /nfs/dbraw/zinc/84/87/78/431848778.db2.gz SUIXWCBEEYNQER-UHFFFAOYSA-N 1 0 311.223 3.214 10 0 DGAERO CCc1nccn1[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000122925988 431848859 /nfs/dbraw/zinc/84/88/59/431848859.db2.gz PLTBHYMHZXIVDD-CQSZACIVSA-N 1 0 309.417 3.159 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc3ccccc32)CC[N@@H+]1C ZINC000122912367 431848922 /nfs/dbraw/zinc/84/89/22/431848922.db2.gz VJHGFSNXXUOLET-YJBOKZPZSA-N 1 0 310.441 3.323 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1cccs1 ZINC000037890117 431851476 /nfs/dbraw/zinc/85/14/76/431851476.db2.gz ATLLYZFZZCGAIB-RYUDHWBXSA-N 1 0 311.834 3.492 10 0 DGAERO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccs2)c(C)c1 ZINC000037890203 431851621 /nfs/dbraw/zinc/85/16/21/431851621.db2.gz ADUSENXGVJRSCH-HUUCEWRRSA-N 1 0 305.443 3.455 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)c1 ZINC000123003718 431851922 /nfs/dbraw/zinc/85/19/22/431851922.db2.gz JJJDOSQLQUDCQZ-GOSISDBHSA-N 1 0 321.428 3.419 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2)o1 ZINC000037980946 431852334 /nfs/dbraw/zinc/85/23/34/431852334.db2.gz ORRLEEOEBZFAMG-JSGCOSHPSA-N 1 0 309.793 3.332 10 0 DGAERO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000123017925 431852815 /nfs/dbraw/zinc/85/28/15/431852815.db2.gz QSXJLLTZUYGINU-HNNXBMFYSA-N 1 0 316.426 3.448 10 0 DGAERO CCOC(=O)CC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000038012413 431852944 /nfs/dbraw/zinc/85/29/44/431852944.db2.gz OVURDXPGVYSSJC-JTQLQIEISA-N 1 0 300.196 3.053 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1OC ZINC000123043284 431853053 /nfs/dbraw/zinc/85/30/53/431853053.db2.gz LMBXTDAPXPEYJH-MRXNPFEDSA-N 1 0 315.417 3.046 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1cccc(Cl)c1 ZINC000038092820 431854989 /nfs/dbraw/zinc/85/49/89/431854989.db2.gz IQJTVQGVPBSDAI-XTBFLFJDSA-N 1 0 306.837 3.438 10 0 DGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000123101781 431855010 /nfs/dbraw/zinc/85/50/10/431855010.db2.gz AGEIDUIRUORZLZ-AEFFLSMTSA-N 1 0 314.477 3.499 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)cc1OC ZINC000123114700 431855721 /nfs/dbraw/zinc/85/57/21/431855721.db2.gz VKCLXRYPQLZMNT-HOCLYGCPSA-N 1 0 308.466 3.331 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000123111773 431855994 /nfs/dbraw/zinc/85/59/94/431855994.db2.gz NFGPUHJSWUONBT-GOEBONIOSA-N 1 0 306.450 3.085 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123173495 431857151 /nfs/dbraw/zinc/85/71/51/431857151.db2.gz CDPXLWOYTYVJCG-GXTWGEPZSA-N 1 0 324.852 3.026 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123173314 431857225 /nfs/dbraw/zinc/85/72/25/431857225.db2.gz CDPXLWOYTYVJCG-TZMCWYRMSA-N 1 0 324.852 3.026 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123167622 431857529 /nfs/dbraw/zinc/85/75/29/431857529.db2.gz OPKWPIFQNPUWKP-BXUZGUMPSA-N 1 0 314.351 3.260 10 0 DGAERO Cc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000123278452 431860509 /nfs/dbraw/zinc/86/05/09/431860509.db2.gz HWQHOLFAPXEKBC-ZIAGYGMSSA-N 1 0 323.868 3.001 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)sc1Cl)N1CCOCC1 ZINC000123353060 431862282 /nfs/dbraw/zinc/86/22/82/431862282.db2.gz BOZHSHMHMXLGKY-UWVGGRQHSA-N 1 0 323.289 3.426 10 0 DGAERO CCc1ccc(CC[NH+]2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000089284827 431862490 /nfs/dbraw/zinc/86/24/90/431862490.db2.gz OGHJHMNLZQELHG-UHFFFAOYSA-N 1 0 324.472 3.182 10 0 DGAERO Cc1cc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)no1 ZINC000042759172 431864594 /nfs/dbraw/zinc/86/45/94/431864594.db2.gz KLHOGSBCJBCCTE-AWEZNQCLSA-N 1 0 308.426 3.005 10 0 DGAERO CC(C)[NH+](CCNC(=O)N(C)Cc1ccc(F)cc1)C(C)C ZINC000043064406 431867220 /nfs/dbraw/zinc/86/72/20/431867220.db2.gz WMHAPAOITGMUKP-UHFFFAOYSA-N 1 0 309.429 3.086 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(Cl)cc1F ZINC000043275568 431867796 /nfs/dbraw/zinc/86/77/96/431867796.db2.gz LONIPNHXOWYPHL-JTQLQIEISA-N 1 0 301.793 3.331 10 0 DGAERO CC[C@@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1nccs1 ZINC000123583919 431868547 /nfs/dbraw/zinc/86/85/47/431868547.db2.gz RGKYXUFIOSSHSM-CQSZACIVSA-N 1 0 324.494 3.014 10 0 DGAERO Cc1ccccc1SCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123678932 431871446 /nfs/dbraw/zinc/87/14/46/431871446.db2.gz GSABPZYIJRIRBC-CABCVRRESA-N 1 0 306.475 3.028 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000122192315 431819241 /nfs/dbraw/zinc/81/92/41/431819241.db2.gz QQJGBCFULNTJEV-CZUORRHYSA-N 1 0 308.853 3.451 10 0 DGAERO CC(C)[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084441059 431822882 /nfs/dbraw/zinc/82/28/82/431822882.db2.gz SUYZSNAYDDIPGK-CQSZACIVSA-N 1 0 311.495 3.113 10 0 DGAERO Cc1ccccc1CCC[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000084677165 431831622 /nfs/dbraw/zinc/83/16/22/431831622.db2.gz LWZUQPDWDNBCFS-SFHVURJKSA-N 1 0 316.489 3.113 10 0 DGAERO CC(C)c1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000122420288 431832526 /nfs/dbraw/zinc/83/25/26/431832526.db2.gz SENHWOPZACNQOV-RHSMWYFYSA-N 1 0 316.445 3.234 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000084769257 431833146 /nfs/dbraw/zinc/83/31/46/431833146.db2.gz DVKQSICQTWEEDQ-OZZQIWQLSA-N 1 0 300.446 3.197 10 0 DGAERO CC(C)[N@@H+](Cc1ccsc1)C[C@@H](O)COCc1ccco1 ZINC000036099360 431835121 /nfs/dbraw/zinc/83/51/21/431835121.db2.gz NVVPSJPGUDHUAW-OAHLLOKOSA-N 1 0 309.431 3.129 10 0 DGAERO CC(C)CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036095545 431835897 /nfs/dbraw/zinc/83/58/97/431835897.db2.gz FQSYNHJOWVCJPO-GOSISDBHSA-N 1 0 311.441 3.460 10 0 DGAERO CCS[C@H]1CCCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963666 431836300 /nfs/dbraw/zinc/83/63/00/431836300.db2.gz VQXOKBNPSFHUEU-ROUUACIJSA-N 1 0 323.502 3.172 10 0 DGAERO Cc1ccc(F)c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000122526319 431836592 /nfs/dbraw/zinc/83/65/92/431836592.db2.gz MLPBBSOKFKDLII-KRWDZBQOSA-N 1 0 300.377 3.167 10 0 DGAERO C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000085289978 431838320 /nfs/dbraw/zinc/83/83/20/431838320.db2.gz WJPXFASDRLTLGG-RCQQVGEISA-N 1 0 306.425 3.322 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000092849237 431911963 /nfs/dbraw/zinc/91/19/63/431911963.db2.gz DCVHAVXRNDIIEV-NVXWUHKLSA-N 1 0 318.804 3.303 10 0 DGAERO COc1cc(C[NH2+]Cc2cscc2C)cc2c1OCCO2 ZINC000094877045 431919796 /nfs/dbraw/zinc/91/97/96/431919796.db2.gz FSGLARJJSZNXHL-UHFFFAOYSA-N 1 0 305.399 3.126 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095088757 431921165 /nfs/dbraw/zinc/92/11/65/431921165.db2.gz DOZGIUGPDMREOR-ZDUSSCGKSA-N 1 0 307.438 3.407 10 0 DGAERO CN(CCC[NH+]1CCCCC1)Cc1nc2c(s1)CCCC2 ZINC000125318560 431921298 /nfs/dbraw/zinc/92/12/98/431921298.db2.gz IDTOZBCSHQZFCU-UHFFFAOYSA-N 1 0 307.507 3.330 10 0 DGAERO Brc1cc(COCCCC2CC[NH2+]CC2)ccn1 ZINC000095092475 431922351 /nfs/dbraw/zinc/92/23/51/431922351.db2.gz BICJPHDEGZOXLY-UHFFFAOYSA-N 1 0 313.239 3.141 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)c1 ZINC000123841642 431875931 /nfs/dbraw/zinc/87/59/31/431875931.db2.gz FVWVPTGEKQUXBP-ZDUSSCGKSA-N 1 0 309.360 3.452 10 0 DGAERO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732177 431876286 /nfs/dbraw/zinc/87/62/86/431876286.db2.gz QBZRCVOZTDTVAX-RTBURBONSA-N 1 0 324.472 3.446 10 0 DGAERO CC[C@H](C)n1ncc(C(=O)NC[C@@H](C)[NH+](CC)CC)c1C1CC1 ZINC000089736695 431877406 /nfs/dbraw/zinc/87/74/06/431877406.db2.gz WYUUTEISNVLYAL-UONOGXRCSA-N 1 0 320.481 3.192 10 0 DGAERO C[C@H]1CCC[C@](CNC(=O)c2scnc2C2CC2)([NH+](C)C)C1 ZINC000089772949 431878245 /nfs/dbraw/zinc/87/82/45/431878245.db2.gz CNIMPOJMSYAXJS-SJCJKPOMSA-N 1 0 321.490 3.261 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000124032037 431881029 /nfs/dbraw/zinc/88/10/29/431881029.db2.gz IPYDESIDEMYPPH-GOSISDBHSA-N 1 0 301.434 3.354 10 0 DGAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000089934969 431886681 /nfs/dbraw/zinc/88/66/81/431886681.db2.gz XHFHSLJHRZYNMS-HOTGVXAUSA-N 1 0 309.837 3.487 10 0 DGAERO Cc1nc2c(s1)[C@@H]([NH2+]CCc1c(C)nn(C)c1C)CCC2 ZINC000124242185 431887017 /nfs/dbraw/zinc/88/70/17/431887017.db2.gz UPPACGVBYLROMD-AWEZNQCLSA-N 1 0 304.463 3.012 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000124262594 431887809 /nfs/dbraw/zinc/88/78/09/431887809.db2.gz XRAOUXQZUUEESK-RZAIGCCYSA-N 1 0 313.445 3.255 10 0 DGAERO COC[C@H](C)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000045656248 431888050 /nfs/dbraw/zinc/88/80/50/431888050.db2.gz USQSKWKVAWFIGU-CHWSQXEVSA-N 1 0 301.377 3.481 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000124457543 431894383 /nfs/dbraw/zinc/89/43/83/431894383.db2.gz HBJAFQSTYREAMO-HZPDHXFCSA-N 1 0 319.449 3.247 10 0 DGAERO COCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090852864 431896387 /nfs/dbraw/zinc/89/63/87/431896387.db2.gz XIPZJMBCTHABRY-IUIKQTSFSA-N 1 0 314.832 3.239 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)c(F)cc1Cl ZINC000046859293 431902329 /nfs/dbraw/zinc/90/23/29/431902329.db2.gz CRORWGDTKSIAEK-JTQLQIEISA-N 1 0 316.779 3.222 10 0 DGAERO CCC1(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000127515605 431973960 /nfs/dbraw/zinc/97/39/60/431973960.db2.gz BOZZAAYXVZYURY-JKSUJKDBSA-N 1 0 322.399 3.407 10 0 DGAERO CC[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)c1ccccc1 ZINC000237037988 280923608 /nfs/dbraw/zinc/92/36/08/280923608.db2.gz CXVPIQMRMJDPCW-UAGQMJEPSA-N 1 0 302.462 3.377 10 0 DGAERO CSc1ccc(C)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000127523900 431974568 /nfs/dbraw/zinc/97/45/68/431974568.db2.gz ASVBAQVEKUJWNI-KGLIPLIRSA-N 1 0 306.475 3.272 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)CCCc2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000127584330 431975562 /nfs/dbraw/zinc/97/55/62/431975562.db2.gz SJQZLGRXZJOPOG-OCCSQVGLSA-N 1 0 322.399 3.029 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000127586727 431975713 /nfs/dbraw/zinc/97/57/13/431975713.db2.gz ZFVCWJSCEFACID-QRVBRYPASA-N 1 0 323.440 3.145 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)s1 ZINC000127768180 431980953 /nfs/dbraw/zinc/98/09/53/431980953.db2.gz DDKODYUOIOAZFT-UONOGXRCSA-N 1 0 319.430 3.005 10 0 DGAERO CCOC(C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1)OCC ZINC000125509020 431928254 /nfs/dbraw/zinc/92/82/54/431928254.db2.gz CGLWNUBFRIJWEM-CQSZACIVSA-N 1 0 317.433 3.230 10 0 DGAERO CCOC(=O)c1ccc(CN(C)Cc2ccc(Cl)nc2)o1 ZINC000125762825 431935346 /nfs/dbraw/zinc/93/53/46/431935346.db2.gz PPYKXTSVVZCIKB-UHFFFAOYSA-N 1 0 308.765 3.137 10 0 DGAERO c1cc([C@@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)cs1 ZINC000125914720 431937709 /nfs/dbraw/zinc/93/77/09/431937709.db2.gz GSCOJIMYSZNEIB-KRWDZBQOSA-N 1 0 301.411 3.257 10 0 DGAERO CCOc1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126628467 431954675 /nfs/dbraw/zinc/95/46/75/431954675.db2.gz PLQHSWDWIJLKHI-LJQANCHMSA-N 1 0 313.397 3.364 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cncc(F)c2)cn1 ZINC000126867129 431959261 /nfs/dbraw/zinc/95/92/61/431959261.db2.gz ZMJLTKZDEBINRK-CYBMUJFWSA-N 1 0 302.397 3.313 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(Cl)c2)[C@H](C)C1 ZINC000127784254 431980586 /nfs/dbraw/zinc/98/05/86/431980586.db2.gz AIEBBWPKRKDCQR-CJNGLKHVSA-N 1 0 323.868 3.212 10 0 DGAERO [NH3+][C@@H]1CN(Cc2cccc3cccnc32)C[C@@H]1c1ccc(F)cc1 ZINC000097163511 431963930 /nfs/dbraw/zinc/96/39/30/431963930.db2.gz LVRFBBPCNSGUFR-RTBURBONSA-N 1 0 321.399 3.301 10 0 DGAERO CC(C)COC1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000054328584 431969753 /nfs/dbraw/zinc/96/97/53/431969753.db2.gz JVTOUVHLAFGQOW-UHFFFAOYSA-N 1 0 321.461 3.219 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2sccc2-n2cccc2)CC[N@@H+]1C ZINC000127894946 431982685 /nfs/dbraw/zinc/98/26/85/431982685.db2.gz INQWKQDPORYAOG-UONOGXRCSA-N 1 0 317.458 3.094 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2sccc2-n2cccc2)CC[N@@H+]1C ZINC000127894749 431983128 /nfs/dbraw/zinc/98/31/28/431983128.db2.gz INQWKQDPORYAOG-ZIAGYGMSSA-N 1 0 317.458 3.094 10 0 DGAERO Cc1ccc2[nH]c(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cc2c1C ZINC000116764608 281024097 /nfs/dbraw/zinc/02/40/97/281024097.db2.gz VUNQHZPLDMXILU-DZGCQCFKSA-N 1 0 311.429 3.093 10 0 DGAERO Cc1cccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107723608 281236767 /nfs/dbraw/zinc/23/67/67/281236767.db2.gz UMWMFJUJJAGHPA-QGZVFWFLSA-N 1 0 301.434 3.477 10 0 DGAERO Cc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1Cl ZINC000128190936 431989515 /nfs/dbraw/zinc/98/95/15/431989515.db2.gz YECKMYBECJOUMM-UHFFFAOYSA-N 1 0 306.837 3.349 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000101976881 431990235 /nfs/dbraw/zinc/99/02/35/431990235.db2.gz FIGFOAKEDOQENG-KRWDZBQOSA-N 1 0 315.417 3.008 10 0 DGAERO Cc1cccc2c1CC(C)(C)[N@H+](C[C@H](O)CC(F)(F)F)C2 ZINC000451266701 281269405 /nfs/dbraw/zinc/26/94/05/281269405.db2.gz ZOUCAKJONZQJJO-CYBMUJFWSA-N 1 0 301.352 3.445 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000101996192 431990705 /nfs/dbraw/zinc/99/07/05/431990705.db2.gz ZMTFJUDSLBICLW-LLVKDONJSA-N 1 0 315.820 3.180 10 0 DGAERO COc1c(C)cnc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1C ZINC000128352803 431991995 /nfs/dbraw/zinc/99/19/95/431991995.db2.gz MBLVAJOETCTKCG-NVXWUHKLSA-N 1 0 314.433 3.177 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000262810486 288322803 /nfs/dbraw/zinc/32/28/03/288322803.db2.gz OTGOAUKUDKDQIG-KDOFPFPSSA-N 1 0 300.446 3.462 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000183223502 432270228 /nfs/dbraw/zinc/27/02/28/432270228.db2.gz LMOBOYDLKTZEIZ-ZANVPECISA-N 1 0 317.216 3.089 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000248127549 432270229 /nfs/dbraw/zinc/27/02/29/432270229.db2.gz OBQWCHHLVZLJAI-OIISXLGYSA-N 1 0 309.837 3.000 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(SC)cc1)CC2 ZINC000173397113 432276298 /nfs/dbraw/zinc/27/62/98/432276298.db2.gz CURIIPTZQPYGSX-GXTWGEPZSA-N 1 0 316.474 3.228 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(C)c(C)s1 ZINC000248235431 432277614 /nfs/dbraw/zinc/27/76/14/432277614.db2.gz SHTAPCXQZNQINW-MJBXVCDLSA-N 1 0 308.447 3.066 10 0 DGAERO C[N@@H+]1CC[C@H](CNc2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270706707 432278731 /nfs/dbraw/zinc/27/87/31/432278731.db2.gz KAPGTVQXSLGTBN-MLGOLLRUSA-N 1 0 320.799 3.374 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(F)c1F)CC2 ZINC000183293261 432280057 /nfs/dbraw/zinc/28/00/57/432280057.db2.gz YXFMDNSYSLFWRF-VXGBXAGGSA-N 1 0 320.387 3.345 10 0 DGAERO c1csc(-c2cnc(CN3CC[N@@H+]4CCCC[C@H]4C3)o2)c1 ZINC000248344895 432280452 /nfs/dbraw/zinc/28/04/52/432280452.db2.gz MDEYMRZECNVLLM-ZDUSSCGKSA-N 1 0 303.431 3.073 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@@H+]([C@H]3CCc4ccc(F)cc43)C2)no1 ZINC000248368722 432281274 /nfs/dbraw/zinc/28/12/74/432281274.db2.gz VMWCKJRJMNQQRN-DYVFJYSZSA-N 1 0 315.392 3.459 10 0 DGAERO CC[C@@]1(C)CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000173491698 432282799 /nfs/dbraw/zinc/28/27/99/432282799.db2.gz CUAXPPQCDPRWQY-MJGOQNOKSA-N 1 0 302.462 3.198 10 0 DGAERO Cc1ccc(NC(=O)[C@H](C)C2CCOCC2)c(C[NH+](C)C)c1 ZINC000151864769 432283823 /nfs/dbraw/zinc/28/38/23/432283823.db2.gz XPURUCILFGEINJ-CQSZACIVSA-N 1 0 304.434 3.058 10 0 DGAERO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000248396279 432284794 /nfs/dbraw/zinc/28/47/94/432284794.db2.gz KBXQVIFBEATCBL-XKQJLSEDSA-N 1 0 306.425 3.260 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]C1CCOCC1 ZINC000191631737 432285990 /nfs/dbraw/zinc/28/59/90/432285990.db2.gz GZIULCFEFPOQSQ-JTQLQIEISA-N 1 0 314.223 3.287 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCCOC1 ZINC000191632394 432286461 /nfs/dbraw/zinc/28/64/61/432286461.db2.gz DIOSSSBIHZHQGK-CMPLNLGQSA-N 1 0 314.223 3.287 10 0 DGAERO CSCCCC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000173611875 432289035 /nfs/dbraw/zinc/28/90/35/432289035.db2.gz XOKKFKZIPDSCQV-HNNXBMFYSA-N 1 0 308.491 3.156 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000248437479 432290217 /nfs/dbraw/zinc/29/02/17/432290217.db2.gz HBSJJPPVYAQMSW-QWQRMKEZSA-N 1 0 303.450 3.024 10 0 DGAERO C[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)n2C)[C@@H]2CCCC[C@@H]21 ZINC000248433034 432290579 /nfs/dbraw/zinc/29/05/79/432290579.db2.gz QNRLXMUQHWKHIE-DJIMGWMZSA-N 1 0 310.445 3.493 10 0 DGAERO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191696387 432292204 /nfs/dbraw/zinc/29/22/04/432292204.db2.gz VLYTUXWZBQXFPD-RQJHMYQMSA-N 1 0 312.660 3.271 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+]([C@@H](C)CCc3cccc(F)c3)[C@H]2C1 ZINC000183423379 432293794 /nfs/dbraw/zinc/29/37/94/432293794.db2.gz BCTUQADQKDNAAF-VLQPXKRTSA-N 1 0 321.436 3.415 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3cn4cccnc4n3)C2)c1 ZINC000183480689 432297201 /nfs/dbraw/zinc/29/72/01/432297201.db2.gz RBLPVTFGHWJNQY-INIZCTEOSA-N 1 0 306.413 3.336 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)[C@H]1Oc1ccccc1 ZINC000248539035 432298741 /nfs/dbraw/zinc/29/87/41/432298741.db2.gz AJJHFCRLBVTKRQ-GUDVDZBRSA-N 1 0 313.397 3.107 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000248551283 432299624 /nfs/dbraw/zinc/29/96/24/432299624.db2.gz IOQFXYWRJFPBOC-SYQHCUMBSA-N 1 0 320.399 3.202 10 0 DGAERO CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000248557959 432302109 /nfs/dbraw/zinc/30/21/09/432302109.db2.gz BVGVSDMESHPSQQ-ZMSDIMECSA-N 1 0 318.461 3.226 10 0 DGAERO c1ncn(C[C@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)n1 ZINC000128478954 431994357 /nfs/dbraw/zinc/99/43/57/431994357.db2.gz ICHQHKOOBFFVBL-AWEZNQCLSA-N 1 0 312.442 3.405 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccccc2)cc1F ZINC000102698564 431996830 /nfs/dbraw/zinc/99/68/30/431996830.db2.gz BZTLLHCRYXXSCF-CYBMUJFWSA-N 1 0 316.376 3.148 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)nc2ccccc12 ZINC000128655706 431997519 /nfs/dbraw/zinc/99/75/19/431997519.db2.gz NMGWRGDITDOXHA-QZTJIDSGSA-N 1 0 321.428 3.408 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000183126600 432261153 /nfs/dbraw/zinc/26/11/53/432261153.db2.gz CTAZVEZLYGMLOC-TVQRCGJNSA-N 1 0 317.216 3.089 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000183148516 432262737 /nfs/dbraw/zinc/26/27/37/432262737.db2.gz SCQDARJPFHNCPE-ZWKOTPCHSA-N 1 0 309.413 3.318 10 0 DGAERO CCC[C@@H](C(=O)NCc1ccccc1N1CCCCC1)[NH+](C)C ZINC000183157021 432263959 /nfs/dbraw/zinc/26/39/59/432263959.db2.gz XEEDDUCYHWBSSP-SFHVURJKSA-N 1 0 317.477 3.023 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(Cl)c1 ZINC000173287716 432268082 /nfs/dbraw/zinc/26/80/82/432268082.db2.gz GHMWPKNYEHHMLF-HZPDHXFCSA-N 1 0 321.852 3.108 10 0 DGAERO O=C1O[C@@H](C[N@@H+]2CCSC[C@H]2c2ccccc2)CC12CCC2 ZINC000248817227 432319591 /nfs/dbraw/zinc/31/95/91/432319591.db2.gz DTYTYSYWCXBSEC-CVEARBPZSA-N 1 0 317.454 3.262 10 0 DGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC(F)(F)C(F)F)C1 ZINC000248821159 432320564 /nfs/dbraw/zinc/32/05/64/432320564.db2.gz FTTYWVIBVZFGMI-DGCLKSJQSA-N 1 0 304.331 3.312 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000174110013 432321340 /nfs/dbraw/zinc/32/13/40/432321340.db2.gz INMGIFPJQNJCPS-ZWKOTPCHSA-N 1 0 306.494 3.441 10 0 DGAERO C[C@H]1CC(CC[N@@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)C[C@H](C)C1 ZINC000192003574 432321944 /nfs/dbraw/zinc/32/19/44/432321944.db2.gz UPZLOENSBNWLEA-NUJGCVRESA-N 1 0 324.509 3.320 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C)c1ccccc1 ZINC000248828974 432322544 /nfs/dbraw/zinc/32/25/44/432322544.db2.gz HLPVIAVEAGRRRU-CGTJXYLNSA-N 1 0 318.461 3.001 10 0 DGAERO CC(C)C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000248860856 432323682 /nfs/dbraw/zinc/32/36/82/432323682.db2.gz UHKVNDSNDHKFBB-RYQLBKOJSA-N 1 0 318.461 3.047 10 0 DGAERO CN1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)[C@H]1c1ccc(Cl)cc1 ZINC000248878376 432324649 /nfs/dbraw/zinc/32/46/49/432324649.db2.gz KAJGUBRXFRLCDA-YESZJQIVSA-N 1 0 306.837 3.368 10 0 DGAERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)CC3CCCC3)C2)n1 ZINC000248873121 432325407 /nfs/dbraw/zinc/32/54/07/432325407.db2.gz DPXVSAYXTFZRPF-MSOLQXFVSA-N 1 0 317.477 3.065 10 0 DGAERO COc1ccc([C@@H](CCC(C)C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152353206 432327737 /nfs/dbraw/zinc/32/77/37/432327737.db2.gz KVKWWVWWPZHQSK-SJLPKXTDSA-N 1 0 318.461 3.383 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(Cl)cc1 ZINC000174198011 432328427 /nfs/dbraw/zinc/32/84/27/432328427.db2.gz SUHQVRKPOHRCJM-BBRMVZONSA-N 1 0 318.852 3.393 10 0 DGAERO CN(C(=O)NCC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174201028 432329503 /nfs/dbraw/zinc/32/95/03/432329503.db2.gz ILWWKYHRDKZMGZ-QGZVFWFLSA-N 1 0 317.477 3.339 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000248907667 432329734 /nfs/dbraw/zinc/32/97/34/432329734.db2.gz MEGMJUCBCOBXBB-DLBZAZTESA-N 1 0 305.466 3.024 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000248953710 432330813 /nfs/dbraw/zinc/33/08/13/432330813.db2.gz DHFJWJGZLDHTLC-DABQJJPHSA-N 1 0 317.351 3.361 10 0 DGAERO COc1cccc(F)c1[C@@H](C)N[C@H](C)C(=O)NC1CCCCC1 ZINC000174231286 432331890 /nfs/dbraw/zinc/33/18/90/432331890.db2.gz BFPFZPVCBCVJEP-CHWSQXEVSA-N 1 0 322.424 3.322 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3ccccc32)C12CCOCC2 ZINC000248998304 432332031 /nfs/dbraw/zinc/33/20/31/432332031.db2.gz MMKAHFXXIUQAPL-BHIYHBOVSA-N 1 0 315.457 3.280 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)co1 ZINC000249059555 432335838 /nfs/dbraw/zinc/33/58/38/432335838.db2.gz FYWKIDIFSHMBON-ZBFHGGJFSA-N 1 0 304.434 3.315 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000249094082 432337925 /nfs/dbraw/zinc/33/79/25/432337925.db2.gz FEUPGKSCSUSYKD-ILXRZTDVSA-N 1 0 301.352 3.301 10 0 DGAERO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2F)C1 ZINC000174348881 432338675 /nfs/dbraw/zinc/33/86/75/432338675.db2.gz ZXEGYSIZYBPRKI-STQMWFEESA-N 1 0 310.438 3.370 10 0 DGAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000152575887 432341192 /nfs/dbraw/zinc/34/11/92/432341192.db2.gz OGKXFEOHFMWQQP-QGZVFWFLSA-N 1 0 324.415 3.086 10 0 DGAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000152575805 432341238 /nfs/dbraw/zinc/34/12/38/432341238.db2.gz OGKXFEOHFMWQQP-KRWDZBQOSA-N 1 0 324.415 3.086 10 0 DGAERO CCOC1CC(CC[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000249141367 432341909 /nfs/dbraw/zinc/34/19/09/432341909.db2.gz WGEFDBPNAIQJBA-WQUXRXDGSA-N 1 0 316.489 3.302 10 0 DGAERO C[C@@H](C1CC1)[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000249216516 432342386 /nfs/dbraw/zinc/34/23/86/432342386.db2.gz ALRHIJIOCGDASV-CMPLNLGQSA-N 1 0 318.244 3.463 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC000183981725 432342474 /nfs/dbraw/zinc/34/24/74/432342474.db2.gz LHCCBYQVJLMZBY-BZUAXINKSA-N 1 0 311.372 3.393 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249272957 432342999 /nfs/dbraw/zinc/34/29/99/432342999.db2.gz BWXXWVIWNWXMRO-BZSNNMDCSA-N 1 0 306.494 3.249 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000271170357 432343108 /nfs/dbraw/zinc/34/31/08/432343108.db2.gz HJOYSZCLMBXMRC-UHFFFAOYSA-N 1 0 311.429 3.469 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@@H]1C ZINC000249230354 432343687 /nfs/dbraw/zinc/34/36/87/432343687.db2.gz VNAQGKCQLOTVFH-WMLDXEAASA-N 1 0 313.401 3.126 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000249303282 432344361 /nfs/dbraw/zinc/34/43/61/432344361.db2.gz SPQVOHPQSMLSLR-AAEUAGOBSA-N 1 0 314.882 3.133 10 0 DGAERO CC[C@@H]1CN(c2ccccc2)CCN1CC[NH+]1CCCCC1 ZINC000184018830 432346219 /nfs/dbraw/zinc/34/62/19/432346219.db2.gz DCWMLSAZRGTNFL-GOSISDBHSA-N 1 0 301.478 3.073 10 0 DGAERO C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000249328152 432346467 /nfs/dbraw/zinc/34/64/67/432346467.db2.gz VJGDGDBGAKSANL-UONOGXRCSA-N 1 0 309.479 3.373 10 0 DGAERO C[C@H](C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000249460733 432348531 /nfs/dbraw/zinc/34/85/31/432348531.db2.gz FKAJHVDKFLWSOJ-RVKKMQEKSA-N 1 0 322.880 3.096 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249481886 432348970 /nfs/dbraw/zinc/34/89/70/432348970.db2.gz XDBOWMRQDKTOAS-SJLPKXTDSA-N 1 0 324.472 3.283 10 0 DGAERO Cc1ccc(C[NH2+]CC2(C)OCCCO2)cc1Br ZINC000192249416 432350497 /nfs/dbraw/zinc/35/04/97/432350497.db2.gz AAOSGDZXGBYHCE-UHFFFAOYSA-N 1 0 314.223 3.000 10 0 DGAERO CC[C@@]1(CO)CCC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000249540317 432351493 /nfs/dbraw/zinc/35/14/93/432351493.db2.gz DTEFKIDFOZDPNN-RDTXWAMCSA-N 1 0 315.417 3.282 10 0 DGAERO CCC(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000152747781 432352318 /nfs/dbraw/zinc/35/23/18/432352318.db2.gz MWGPVTZQLOABRA-CJNGLKHVSA-N 1 0 317.433 3.226 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000174520411 432353074 /nfs/dbraw/zinc/35/30/74/432353074.db2.gz GILUYESZAFPDKU-AWEZNQCLSA-N 1 0 307.482 3.081 10 0 DGAERO CCC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000152747681 432353434 /nfs/dbraw/zinc/35/34/34/432353434.db2.gz MWGPVTZQLOABRA-CZUORRHYSA-N 1 0 317.433 3.226 10 0 DGAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](C)Cc1ccccc1)CC2 ZINC000248607561 432305468 /nfs/dbraw/zinc/30/54/68/432305468.db2.gz WTFBOURIKOHYQW-NZSAHSFTSA-N 1 0 317.473 3.117 10 0 DGAERO OC[C@H]1C=C[C@@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000183580419 432305494 /nfs/dbraw/zinc/30/54/94/432305494.db2.gz QTBYTGBMONGTIT-XZJROXQQSA-N 1 0 322.246 3.427 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](CCCCO)C2CC2)s1 ZINC000183589321 432306136 /nfs/dbraw/zinc/30/61/36/432306136.db2.gz YJRKMEPBEMBWKG-UHFFFAOYSA-N 1 0 308.369 3.207 10 0 DGAERO CCc1cc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)ccc1C ZINC000183608748 432308420 /nfs/dbraw/zinc/30/84/20/432308420.db2.gz HSMISQXMRPHIIF-SFHVURJKSA-N 1 0 318.461 3.289 10 0 DGAERO CC[NH+](CC)CC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173917008 432308957 /nfs/dbraw/zinc/30/89/57/432308957.db2.gz BMEORGIBSCJKIT-AWEZNQCLSA-N 1 0 323.506 3.314 10 0 DGAERO COC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)cc1 ZINC000248654547 432310080 /nfs/dbraw/zinc/31/00/80/432310080.db2.gz ACIHRQVUUNXBAQ-KSZLIROESA-N 1 0 317.816 3.275 10 0 DGAERO Cc1c[nH+]ccc1N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248675109 432310988 /nfs/dbraw/zinc/31/09/88/432310988.db2.gz XTQLFGWQNBSBRY-KKUMJFAQSA-N 1 0 317.433 3.130 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000174002946 432313774 /nfs/dbraw/zinc/31/37/74/432313774.db2.gz XOTNTXHFBKNHGE-QWRGUYRKSA-N 1 0 315.870 3.026 10 0 DGAERO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248738842 432313963 /nfs/dbraw/zinc/31/39/63/432313963.db2.gz PMRXHIXKVRBOIV-XYTFPVCRSA-N 1 0 307.459 3.107 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)CC2 ZINC000174029803 432315308 /nfs/dbraw/zinc/31/53/08/432315308.db2.gz OQAVYYAYKYTZJQ-SWLSCSKDSA-N 1 0 302.397 3.206 10 0 DGAERO CC(C)Oc1ccc(F)cc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000184274290 432372658 /nfs/dbraw/zinc/37/26/58/432372658.db2.gz INPGXPIJIYZHFX-UHFFFAOYSA-N 1 0 323.412 3.171 10 0 DGAERO Cn1c2ccc(C[NH2+]CCc3cccc(F)c3)cc2sc1=O ZINC000192454666 432376052 /nfs/dbraw/zinc/37/60/52/432376052.db2.gz RNTDCCMUQGEISJ-UHFFFAOYSA-N 1 0 316.401 3.071 10 0 DGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000174914445 432378755 /nfs/dbraw/zinc/37/87/55/432378755.db2.gz RMMPFZLOFGWURX-LBPRGKRZSA-N 1 0 315.339 3.182 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(-n2cccc2)c1 ZINC000174963453 432383757 /nfs/dbraw/zinc/38/37/57/432383757.db2.gz SAQBWDCMRFSHEH-IEBWSBKVSA-N 1 0 323.440 3.176 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(-n2cccc2)c1 ZINC000174963470 432384204 /nfs/dbraw/zinc/38/42/04/432384204.db2.gz SAQBWDCMRFSHEH-PKOBYXMFSA-N 1 0 323.440 3.176 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000184388164 432385705 /nfs/dbraw/zinc/38/57/05/432385705.db2.gz ALGKGADZDOEJEX-DZGCQCFKSA-N 1 0 316.836 3.368 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1cccc(Br)c1)[S@](C)=O ZINC000252728854 432385811 /nfs/dbraw/zinc/38/58/11/432385811.db2.gz DAOVLNSQPPDJTO-RLFDGXBXSA-N 1 0 318.280 3.257 10 0 DGAERO Cc1cccc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1C ZINC000175003636 432388680 /nfs/dbraw/zinc/38/86/80/432388680.db2.gz DKZYGTOHQAHMPE-SJORKVTESA-N 1 0 313.445 3.020 10 0 DGAERO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192573035 432389057 /nfs/dbraw/zinc/38/90/57/432389057.db2.gz PXOCQOZBJQMQEE-STQMWFEESA-N 1 0 322.499 3.364 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccccc1C ZINC000175003865 432389460 /nfs/dbraw/zinc/38/94/60/432389460.db2.gz JFZHCNIKLZUFEX-QZTJIDSGSA-N 1 0 300.446 3.013 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cccc(C)c1 ZINC000175016318 432390198 /nfs/dbraw/zinc/39/01/98/432390198.db2.gz KESQNKMTJGYIFN-QZTJIDSGSA-N 1 0 300.446 3.013 10 0 DGAERO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000192587654 432390336 /nfs/dbraw/zinc/39/03/36/432390336.db2.gz ZSYBXYSBYOCICR-KGLIPLIRSA-N 1 0 302.443 3.412 10 0 DGAERO O=C(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)Nc1ccccc1 ZINC000192633882 432395200 /nfs/dbraw/zinc/39/52/00/432395200.db2.gz MDFKRGYCIANJJP-LBPRGKRZSA-N 1 0 300.324 3.290 10 0 DGAERO Cc1cc(NC(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)ccn1 ZINC000175086140 432395751 /nfs/dbraw/zinc/39/57/51/432395751.db2.gz XTVASIDCDCVYRP-OLZOCXBDSA-N 1 0 319.405 3.022 10 0 DGAERO CCCCOc1ccc(C[NH2+][C@H](C)c2ccnn2C)cc1OC ZINC000192670097 432397928 /nfs/dbraw/zinc/39/79/28/432397928.db2.gz HYNDXEOOXUWCLT-CQSZACIVSA-N 1 0 317.433 3.458 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(Cl)s1 ZINC000153326350 432400720 /nfs/dbraw/zinc/40/07/20/432400720.db2.gz IRBHCOQKEIEIPV-CHWSQXEVSA-N 1 0 316.898 3.411 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CC2CC2)c2ccc(F)cc2C1 ZINC000184531768 432401569 /nfs/dbraw/zinc/40/15/69/432401569.db2.gz FXVCWBLRLSEIRR-SGTLLEGYSA-N 1 0 304.409 3.397 10 0 DGAERO Cc1csc(=O)n1CC[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000175149864 432404196 /nfs/dbraw/zinc/40/41/96/432404196.db2.gz QBQNUWWLGDTEHK-MLGOLLRUSA-N 1 0 320.433 3.440 10 0 DGAERO Fc1cccc(-c2cnc(CN3CC[C@@H]([NH+]4CCCC4)C3)o2)c1 ZINC000175161935 432405772 /nfs/dbraw/zinc/40/57/72/432405772.db2.gz ZJTHSHUNTIKUAH-MRXNPFEDSA-N 1 0 315.392 3.151 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](n2cncn2)C1)c1cccc(Cl)c1 ZINC000249766107 432357773 /nfs/dbraw/zinc/35/77/73/432357773.db2.gz IMCDOFCVHYMNJP-XJKSGUPXSA-N 1 0 304.825 3.372 10 0 DGAERO COc1ccc(-c2ccc(C[NH2+]Cc3cncnc3)cc2)cc1 ZINC000174575667 432358358 /nfs/dbraw/zinc/35/83/58/432358358.db2.gz DCIHNADNQFMCPI-UHFFFAOYSA-N 1 0 305.381 3.442 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000249808964 432358386 /nfs/dbraw/zinc/35/83/86/432358386.db2.gz XZIHVDLYDXLOBT-MOTUXRJWSA-N 1 0 324.465 3.074 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000174614214 432359653 /nfs/dbraw/zinc/35/96/53/432359653.db2.gz QIXVXKIVUXFBMI-RDBSUJKOSA-N 1 0 309.479 3.181 10 0 DGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192352862 432363379 /nfs/dbraw/zinc/36/33/79/432363379.db2.gz YIQQRSCOQUYRBL-BLLLJJGKSA-N 1 0 304.434 3.053 10 0 DGAERO Cc1ccc([C@H]2C[C@H](C)CCN2Cc2nc(N(C)C)no2)o1 ZINC000192734792 432407746 /nfs/dbraw/zinc/40/77/46/432407746.db2.gz XZEIRENMZQLVEI-DGCLKSJQSA-N 1 0 304.394 3.010 10 0 DGAERO Clc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000152890622 432364846 /nfs/dbraw/zinc/36/48/46/432364846.db2.gz DEPGJEZKSNJSIH-MLGOLLRUSA-N 1 0 323.820 3.207 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)ccc1F ZINC000152922890 432368011 /nfs/dbraw/zinc/36/80/11/432368011.db2.gz BUIVYOBCAPICPE-LLVKDONJSA-N 1 0 322.346 3.369 10 0 DGAERO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000152915689 432368619 /nfs/dbraw/zinc/36/86/19/432368619.db2.gz CUQQGRCLUXDXNU-NUJGCVRESA-N 1 0 322.493 3.200 10 0 DGAERO CO[C@H](C)c1nc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cs1 ZINC000251497326 432368672 /nfs/dbraw/zinc/36/86/72/432368672.db2.gz DQVGBSYHNXYKJC-BPLDGKMQSA-N 1 0 320.462 3.321 10 0 DGAERO Cc1ccccc1NC(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000152935966 432370836 /nfs/dbraw/zinc/37/08/36/432370836.db2.gz BEIHHJXPTSGEHQ-QGZVFWFLSA-N 1 0 316.445 3.357 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(-c2cccs2)on1 ZINC000175362537 432427959 /nfs/dbraw/zinc/42/79/59/432427959.db2.gz KDXBTBDSQBMMBP-AWEZNQCLSA-N 1 0 305.447 3.319 10 0 DGAERO Cc1ccc(CCC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000261551415 432431026 /nfs/dbraw/zinc/43/10/26/432431026.db2.gz QMZBDQBVENONNA-UHFFFAOYSA-N 1 0 310.441 3.305 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2CSC)C1 ZINC000184782830 432431662 /nfs/dbraw/zinc/43/16/62/432431662.db2.gz RNZUJXJNEXCTCV-CQSZACIVSA-N 1 0 307.463 3.155 10 0 DGAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000261596970 432432270 /nfs/dbraw/zinc/43/22/70/432432270.db2.gz AKFRVTUPDSGIPE-UVBJJODRSA-N 1 0 324.827 3.358 10 0 DGAERO [NH3+][C@@H]1CN(Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1c1ccccc1 ZINC000261618413 432434210 /nfs/dbraw/zinc/43/42/10/432434210.db2.gz DALLMPQKZTVPJE-RBUKOAKNSA-N 1 0 318.424 3.003 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000192978736 432435501 /nfs/dbraw/zinc/43/55/01/432435501.db2.gz DKYXYWLYESQDOX-KGLIPLIRSA-N 1 0 318.442 3.054 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000175425065 432436055 /nfs/dbraw/zinc/43/60/55/432436055.db2.gz RQIGXNGQJQCCBW-YLJYHZDGSA-N 1 0 324.468 3.127 10 0 DGAERO CCc1cc(C)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000153724821 432436392 /nfs/dbraw/zinc/43/63/92/432436392.db2.gz JIPRYUCBWIFSRU-YOEHRIQHSA-N 1 0 316.445 3.239 10 0 DGAERO Cc1cc(Br)cc2c1CN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000261642472 432436715 /nfs/dbraw/zinc/43/67/15/432436715.db2.gz AKSXAKIZTHOMJX-ZDUSSCGKSA-N 1 0 323.278 3.115 10 0 DGAERO CCOCCN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175447684 432436923 /nfs/dbraw/zinc/43/69/23/432436923.db2.gz POLBBZREAXDKSI-CQSZACIVSA-N 1 0 303.324 3.115 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000261631926 432437900 /nfs/dbraw/zinc/43/79/00/432437900.db2.gz DARHAHLNLVYIBT-UHFFFAOYSA-N 1 0 323.318 3.462 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000184878707 432441382 /nfs/dbraw/zinc/44/13/82/432441382.db2.gz GYAPVHSOSHIEMX-HOTGVXAUSA-N 1 0 315.461 3.423 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000184927611 432446506 /nfs/dbraw/zinc/44/65/06/432446506.db2.gz YLQTYQTUJUPRDH-XHSDSOJGSA-N 1 0 304.434 3.215 10 0 DGAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193084999 432446547 /nfs/dbraw/zinc/44/65/47/432446547.db2.gz XZPHLWWYRGLKQR-ZDUSSCGKSA-N 1 0 307.463 3.469 10 0 DGAERO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185038424 432459502 /nfs/dbraw/zinc/45/95/02/432459502.db2.gz WSSGSXBIGRPUIT-HNNXBMFYSA-N 1 0 302.422 3.476 10 0 DGAERO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184948552 432448025 /nfs/dbraw/zinc/44/80/25/432448025.db2.gz FJWPLISEIXIEJV-ZBFHGGJFSA-N 1 0 323.456 3.362 10 0 DGAERO CC1CCC(OC2CC[NH+](Cc3cnc(N)s3)CC2)CC1 ZINC000261767855 432448366 /nfs/dbraw/zinc/44/83/66/432448366.db2.gz MDTLXGUPPIWDSA-UHFFFAOYSA-N 1 0 309.479 3.285 10 0 DGAERO CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1cccs1 ZINC000184972098 432450725 /nfs/dbraw/zinc/45/07/25/432450725.db2.gz LFCCCHQPIANXAI-UHFFFAOYSA-N 1 0 302.403 3.159 10 0 DGAERO C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261790038 432451399 /nfs/dbraw/zinc/45/13/99/432451399.db2.gz UJJYGWVDXGHGFS-BLLLJJGKSA-N 1 0 320.408 3.005 10 0 DGAERO CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261789922 432451576 /nfs/dbraw/zinc/45/15/76/432451576.db2.gz KUBYJPHFUHGROG-PFUJJPPESA-N 1 0 318.848 3.185 10 0 DGAERO FC(F)(F)CCN(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000261807550 432452619 /nfs/dbraw/zinc/45/26/19/432452619.db2.gz HKVGDQUGHCTPOX-HNNXBMFYSA-N 1 0 300.368 3.441 10 0 DGAERO C[C@H]([NH3+])CC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000261855095 432455658 /nfs/dbraw/zinc/45/56/58/432455658.db2.gz PEKHEGCSMRXWPJ-AWEZNQCLSA-N 1 0 324.424 3.032 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@@H]1c1ccccc1 ZINC000185018397 432455704 /nfs/dbraw/zinc/45/57/04/432455704.db2.gz PLNJTNJCMRVGAJ-ACJLOTCBSA-N 1 0 308.385 3.268 10 0 DGAERO O=C(c1cccc2ccccc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261864031 432456374 /nfs/dbraw/zinc/45/63/74/432456374.db2.gz KPCOOQRPNJJKQJ-UHFFFAOYSA-N 1 0 308.425 3.446 10 0 DGAERO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000175710622 432457297 /nfs/dbraw/zinc/45/72/97/432457297.db2.gz HRGXJDYFFRPCDX-HOTGVXAUSA-N 1 0 317.477 3.275 10 0 DGAERO Cc1cnn(C)c1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000285406227 281685316 /nfs/dbraw/zinc/68/53/16/281685316.db2.gz IQCPUAJWIRFYHL-CQSZACIVSA-N 1 0 320.234 3.268 10 0 DGAERO CC(C)c1csc(NC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000192745025 432409568 /nfs/dbraw/zinc/40/95/68/432409568.db2.gz ALBBKRKAEGWPKF-UHFFFAOYSA-N 1 0 310.467 3.261 10 0 DGAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2C[C@H]2c2ccco2)C1 ZINC000255735814 432412652 /nfs/dbraw/zinc/41/26/52/432412652.db2.gz KRNTWBXTOIKSND-OAGGEKHMSA-N 1 0 304.434 3.011 10 0 DGAERO Cc1ccccc1[C@@H](NCc1nc(N(C)C)no1)C(C)(C)C ZINC000192784631 432412643 /nfs/dbraw/zinc/41/26/43/432412643.db2.gz HDHDGBOFGQLWOG-OAHLLOKOSA-N 1 0 302.422 3.321 10 0 DGAERO CN(C)c1noc(CNC(C)(c2ccccc2)c2ccccc2)n1 ZINC000192782244 432413082 /nfs/dbraw/zinc/41/30/82/432413082.db2.gz QDAKQJVDCZSOFG-UHFFFAOYSA-N 1 0 322.412 3.189 10 0 DGAERO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184630625 432414455 /nfs/dbraw/zinc/41/44/55/432414455.db2.gz VOGIMNVONHLOGL-LBPRGKRZSA-N 1 0 324.852 3.133 10 0 DGAERO COc1ccc(-c2nc(C[NH2+][C@@H](C)C3CCCC3)no2)cc1 ZINC000184651298 432415914 /nfs/dbraw/zinc/41/59/14/432415914.db2.gz NIMZDCVWWJDSBP-LBPRGKRZSA-N 1 0 301.390 3.414 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175282641 432419776 /nfs/dbraw/zinc/41/97/76/432419776.db2.gz BMCBCIZTRKWDJC-INIZCTEOSA-N 1 0 317.408 3.397 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)o1 ZINC000184730456 432427397 /nfs/dbraw/zinc/42/73/97/432427397.db2.gz HLFBBTGEAIRAQP-UKRRQHHQSA-N 1 0 307.438 3.213 10 0 DGAERO CN(C(=O)[C@H]1C[C@]12CCCc1ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262092331 432473436 /nfs/dbraw/zinc/47/34/36/432473436.db2.gz YPNAYNXDPMAEOI-SKDIMWQJSA-N 1 0 324.468 3.022 10 0 DGAERO Fc1ccccc1OCc1noc([C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000262093983 432473542 /nfs/dbraw/zinc/47/35/42/432473542.db2.gz VAXRVMRMLYACSO-YUTCNCBUSA-N 1 0 317.364 3.381 10 0 DGAERO C[NH2+]CCC1CCN(C(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000262095996 432473702 /nfs/dbraw/zinc/47/37/02/432473702.db2.gz SHUVZBUIEFBYMG-UHFFFAOYSA-N 1 0 312.816 3.249 10 0 DGAERO C[NH2+]CCc1ccccc1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000262103584 432473763 /nfs/dbraw/zinc/47/37/63/432473763.db2.gz JBXHYJMAEKOSHB-UHFFFAOYSA-N 1 0 302.462 3.347 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(c2ccccc2)CC1 ZINC000193445362 432474097 /nfs/dbraw/zinc/47/40/97/432474097.db2.gz DPICQBPDXBFBAF-MRXNPFEDSA-N 1 0 317.477 3.306 10 0 DGAERO Cc1cc(-c2nc(-c3ccc(C[NH3+])cc3)no2)nn1C(C)(C)C ZINC000262084017 432474243 /nfs/dbraw/zinc/47/42/43/432474243.db2.gz UBZYMSJIUSKYOF-UHFFFAOYSA-N 1 0 311.389 3.122 10 0 DGAERO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000185200637 432476516 /nfs/dbraw/zinc/47/65/16/432476516.db2.gz BEVSZNRIEYMXGL-MSOLQXFVSA-N 1 0 314.429 3.211 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000185195976 432476558 /nfs/dbraw/zinc/47/65/58/432476558.db2.gz WIOCXJAOXQOWDM-IRXDYDNUSA-N 1 0 320.502 3.368 10 0 DGAERO Cc1ccccc1CCC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000175904773 432477199 /nfs/dbraw/zinc/47/71/99/432477199.db2.gz FDCDLDZPHYZMNA-UHFFFAOYSA-N 1 0 324.472 3.318 10 0 DGAERO CC(C)O[C@H]1C[C@@H]([NH2+]CCCc2nc(C(C)C)no2)C1(C)C ZINC000185214570 432478119 /nfs/dbraw/zinc/47/81/19/432478119.db2.gz IPHZUBCXSHGLNQ-KGLIPLIRSA-N 1 0 309.454 3.307 10 0 DGAERO CCCC1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000154182454 432479824 /nfs/dbraw/zinc/47/98/24/432479824.db2.gz VBYYBSXGEKVPJL-UHFFFAOYSA-N 1 0 307.482 3.084 10 0 DGAERO CCC1(CC)CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)c2ccccc21 ZINC000262319756 432481740 /nfs/dbraw/zinc/48/17/40/432481740.db2.gz CKWIMAZSKFNAHR-GJZGRUSLSA-N 1 0 300.446 3.479 10 0 DGAERO Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000262322092 432482099 /nfs/dbraw/zinc/48/20/99/432482099.db2.gz CXDPHQGSSVUDSN-DARAHFNDSA-N 1 0 304.434 3.276 10 0 DGAERO CCCCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154227647 432482801 /nfs/dbraw/zinc/48/28/01/432482801.db2.gz YKPVMFFQTMSEMT-DOTOQJQBSA-N 1 0 310.482 3.105 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccccc1CN1CCSCC1 ZINC000185243018 432483046 /nfs/dbraw/zinc/48/30/46/432483046.db2.gz PHOZQITZPYXAFU-HOTGVXAUSA-N 1 0 318.486 3.466 10 0 DGAERO CSc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175984742 432483900 /nfs/dbraw/zinc/48/39/00/432483900.db2.gz RDALAHAUZNFBEK-HUUCEWRRSA-N 1 0 321.490 3.081 10 0 DGAERO CC(C)c1csc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000176004918 432485055 /nfs/dbraw/zinc/48/50/55/432485055.db2.gz KOJBVFRXGAGWBR-LLVKDONJSA-N 1 0 312.483 3.364 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1OCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000185281067 432485728 /nfs/dbraw/zinc/48/57/28/432485728.db2.gz QIJLEAMZYLVXCI-FPQWYMTMSA-N 1 0 324.509 3.208 10 0 DGAERO CCC[C@H](C)[C@H](CC)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185280334 432485862 /nfs/dbraw/zinc/48/58/62/432485862.db2.gz WELIDDUCSTXDNS-YOEHRIQHSA-N 1 0 323.456 3.362 10 0 DGAERO CC(=O)Nc1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000262484493 432487825 /nfs/dbraw/zinc/48/78/25/432487825.db2.gz KFYMYTYLOLMYEU-CQSZACIVSA-N 1 0 323.824 3.015 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC(N2CCCC2=O)CC1 ZINC000185297025 432487897 /nfs/dbraw/zinc/48/78/97/432487897.db2.gz XYZNMDMQAUTQEJ-UHFFFAOYSA-N 1 0 323.440 3.443 10 0 DGAERO C[C@H](C(=O)N1CCC[C@H]1c1cccc2ccccc21)C1C[NH2+]C1 ZINC000262548867 432489048 /nfs/dbraw/zinc/48/90/48/432489048.db2.gz OLDWOKDSFYHTHP-LIRRHRJNSA-N 1 0 308.425 3.359 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000176060105 432490082 /nfs/dbraw/zinc/49/00/82/432490082.db2.gz XCRXYPGDTCTKBL-WYMLVPIESA-N 1 0 316.420 3.220 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262554835 432490723 /nfs/dbraw/zinc/49/07/23/432490723.db2.gz TYAGWYQLZXTRCV-SUYBPPKGSA-N 1 0 322.836 3.119 10 0 DGAERO Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(F)c1 ZINC000176092236 432491880 /nfs/dbraw/zinc/49/18/80/432491880.db2.gz MDHGHHWIQQREAS-INIZCTEOSA-N 1 0 314.404 3.037 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000185347757 432493283 /nfs/dbraw/zinc/49/32/83/432493283.db2.gz SOPXXMDRPDUSPR-DLBZAZTESA-N 1 0 312.413 3.236 10 0 DGAERO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262595037 432493376 /nfs/dbraw/zinc/49/33/76/432493376.db2.gz IZLCBSMYFSGILE-IAGOWNOFSA-N 1 0 318.461 3.096 10 0 DGAERO CCCCc1nc2cc(NC(=O)[C@H]([NH3+])[C@@H](C)CC)ccc2[nH]1 ZINC000262631212 432494356 /nfs/dbraw/zinc/49/43/56/432494356.db2.gz HBNVGYZMXODAKN-MEDUHNTESA-N 1 0 302.422 3.217 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000185350594 432494549 /nfs/dbraw/zinc/49/45/49/432494549.db2.gz ODFFIHFYEVYEMY-CYBMUJFWSA-N 1 0 324.371 3.459 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000185379584 432495469 /nfs/dbraw/zinc/49/54/69/432495469.db2.gz PMDSXFQPJXXUJO-SJORKVTESA-N 1 0 304.434 3.248 10 0 DGAERO COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262642356 432496656 /nfs/dbraw/zinc/49/66/56/432496656.db2.gz JFGOUTMLHBAWDH-PXAZEXFGSA-N 1 0 316.376 3.020 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)C2)n1 ZINC000262682925 432498418 /nfs/dbraw/zinc/49/84/18/432498418.db2.gz YWCZFFMHHHKUFV-MCIONIFRSA-N 1 0 321.490 3.100 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000185419800 432498606 /nfs/dbraw/zinc/49/86/06/432498606.db2.gz HJDDDAASLMTZMO-BZSNNMDCSA-N 1 0 300.446 3.059 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000193822442 432501496 /nfs/dbraw/zinc/50/14/96/432501496.db2.gz YOXAMTRVSITRIQ-CYBMUJFWSA-N 1 0 323.868 3.001 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000262782493 432502716 /nfs/dbraw/zinc/50/27/16/432502716.db2.gz MGRHTILSEIVLCM-JVDULTGUSA-N 1 0 314.473 3.465 10 0 DGAERO CCC[C@H](C(=O)NCC1(Sc2ccccc2)CC1)[NH+](C)C ZINC000154654869 432513157 /nfs/dbraw/zinc/51/31/57/432513157.db2.gz VFDOXHUWGGFTDZ-OAHLLOKOSA-N 1 0 306.475 3.158 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176310123 432509759 /nfs/dbraw/zinc/50/97/59/432509759.db2.gz ZENNAXGASFUENF-OAHLLOKOSA-N 1 0 319.449 3.342 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176311280 432509991 /nfs/dbraw/zinc/50/99/91/432509991.db2.gz WWEJKRZZAYBJDS-UONOGXRCSA-N 1 0 324.494 3.110 10 0 DGAERO CC[C@@H]1C[C@@H](CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)CCO1 ZINC000261908887 432460320 /nfs/dbraw/zinc/46/03/20/432460320.db2.gz XHUQIVIKXOFFDZ-QGTPRVQTSA-N 1 0 322.880 3.492 10 0 DGAERO CN1C[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)CCC1=O ZINC000193297780 432463957 /nfs/dbraw/zinc/46/39/57/432463957.db2.gz MQYHWEYRYAALRS-LLVKDONJSA-N 1 0 315.244 3.136 10 0 DGAERO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000262005663 432467917 /nfs/dbraw/zinc/46/79/17/432467917.db2.gz UZZGLSLMTPFSND-QRVBRYPASA-N 1 0 316.489 3.019 10 0 DGAERO c1ccc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)ccc2c1 ZINC000261995607 432467985 /nfs/dbraw/zinc/46/79/85/432467985.db2.gz UAOSPGKHRKNMHH-XUVXKRRUSA-N 1 0 310.441 3.087 10 0 DGAERO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261999278 432468461 /nfs/dbraw/zinc/46/84/61/432468461.db2.gz UWOITUFMQZSTAF-DDBAPUKQSA-N 1 0 300.446 3.045 10 0 DGAERO COc1ccc([C@@H](C)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000175824845 432468531 /nfs/dbraw/zinc/46/85/31/432468531.db2.gz KTCYXXSTZUOXFQ-RDJZCZTQSA-N 1 0 320.477 3.281 10 0 DGAERO c1ccc2c(c1)cccc2CCC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185137738 432470757 /nfs/dbraw/zinc/47/07/57/432470757.db2.gz VMFHYEOCHFTIJX-HXUWFJFHSA-N 1 0 311.425 3.264 10 0 DGAERO CCc1noc(C)c1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000155299566 432549335 /nfs/dbraw/zinc/54/93/35/432549335.db2.gz NNPGKIPLAVAMIO-LBPRGKRZSA-N 1 0 322.453 3.177 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cccc(OC2CCCC2)c1 ZINC000155326604 432550478 /nfs/dbraw/zinc/55/04/78/432550478.db2.gz BGELYRDLICXKTC-GASCZTMLSA-N 1 0 316.445 3.173 10 0 DGAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)c3cccn3C)C2)cc1 ZINC000155339945 432550859 /nfs/dbraw/zinc/55/08/59/432550859.db2.gz JANGNKGFSYROPX-ZBFHGGJFSA-N 1 0 312.413 3.094 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000186102641 432558683 /nfs/dbraw/zinc/55/86/83/432558683.db2.gz WPOKBSSGCVBOIU-GFCCVEGCSA-N 1 0 310.463 3.054 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+]C[C@@H](O)c1ccccc1OC ZINC000186120057 432560754 /nfs/dbraw/zinc/56/07/54/432560754.db2.gz ONMVVFHHLMZAGI-WCQYABFASA-N 1 0 307.415 3.150 10 0 DGAERO C[NH+](C)Cc1ccnc(NC(=O)c2c(F)cccc2Cl)c1 ZINC000176895913 432563115 /nfs/dbraw/zinc/56/31/15/432563115.db2.gz LDZJXUJEDSCEOH-UHFFFAOYSA-N 1 0 307.756 3.188 10 0 DGAERO Cc1ccc(CCCC(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC000176898363 432563217 /nfs/dbraw/zinc/56/32/17/432563217.db2.gz WUSKJGHAZPPQLV-UHFFFAOYSA-N 1 0 311.429 3.413 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(CSC)cc1 ZINC000176340823 432513722 /nfs/dbraw/zinc/51/37/22/432513722.db2.gz QOQIVBHGCOGDLJ-MRXNPFEDSA-N 1 0 321.490 3.498 10 0 DGAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCOC[C@@H]2C)c1 ZINC000193988575 432514852 /nfs/dbraw/zinc/51/48/52/432514852.db2.gz JMUYARCOEUPHMN-WMLDXEAASA-N 1 0 304.434 3.140 10 0 DGAERO C[C@H]1COCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000194003663 432515415 /nfs/dbraw/zinc/51/54/15/432515415.db2.gz QPBBXUDDCOQDIY-MAUKXSAKSA-N 1 0 316.445 3.284 10 0 DGAERO COc1c(C)ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000176365237 432516858 /nfs/dbraw/zinc/51/68/58/432516858.db2.gz IGEFNUQSAGXTRI-XJKSGUPXSA-N 1 0 319.449 3.162 10 0 DGAERO CC(C)Cc1nsc(N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000185654119 432519969 /nfs/dbraw/zinc/51/99/69/432519969.db2.gz KBKMMBVKADISMH-UHFFFAOYSA-N 1 0 310.511 3.295 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cccnc1OC ZINC000176458493 432525084 /nfs/dbraw/zinc/52/50/84/432525084.db2.gz KGRXKLZWNMWKFI-KRWDZBQOSA-N 1 0 312.413 3.306 10 0 DGAERO CC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C(C)C ZINC000194092396 432525502 /nfs/dbraw/zinc/52/55/02/432525502.db2.gz ZZTAQSBODXVAJM-NSHDSACASA-N 1 0 306.233 3.463 10 0 DGAERO CC[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000185720531 432527572 /nfs/dbraw/zinc/52/75/72/432527572.db2.gz UXADTSZIGKUGHX-UHFFFAOYSA-N 1 0 322.044 3.246 10 0 DGAERO CC(=O)c1c(F)cccc1N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000154930133 432528350 /nfs/dbraw/zinc/52/83/50/432528350.db2.gz GKUIWEBMPSIGFR-CYBMUJFWSA-N 1 0 304.409 3.481 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1F)CC2 ZINC000154939668 432530502 /nfs/dbraw/zinc/53/05/02/432530502.db2.gz YIKGROOMVZEJLG-SWLSCSKDSA-N 1 0 320.387 3.174 10 0 DGAERO Cc1[nH]c2ccc(CNC(=O)[C@H]3CCCC[C@]3(C)[NH3+])cc2c1C ZINC000263296040 432531515 /nfs/dbraw/zinc/53/15/15/432531515.db2.gz WIFSPMREFAIPJG-APWZRJJASA-N 1 0 313.445 3.309 10 0 DGAERO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000272597529 432531662 /nfs/dbraw/zinc/53/16/62/432531662.db2.gz GTZNSAUHAOAZAN-GOSISDBHSA-N 1 0 324.424 3.047 10 0 DGAERO CC[NH+](CC)CCN(Cc1nc(-c2ccoc2)no1)CC(C)C ZINC000176530547 432531921 /nfs/dbraw/zinc/53/19/21/432531921.db2.gz UFGJWNCVRKCVAL-UHFFFAOYSA-N 1 0 320.437 3.129 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000185795286 432533732 /nfs/dbraw/zinc/53/37/32/432533732.db2.gz FBZIOXRHFMPCPT-ZWKOTPCHSA-N 1 0 306.494 3.393 10 0 DGAERO CCCOc1ccc(Cl)cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000176566962 432533759 /nfs/dbraw/zinc/53/37/59/432533759.db2.gz SZNSEMDMOWQPGP-UHFFFAOYSA-N 1 0 324.852 3.295 10 0 DGAERO CC[C@H](CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000155020475 432533852 /nfs/dbraw/zinc/53/38/52/432533852.db2.gz RHXCAYMDSDCALH-OWCLPIDISA-N 1 0 318.461 3.130 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000185831716 432536391 /nfs/dbraw/zinc/53/63/91/432536391.db2.gz HGEYABNQCKPDNL-WFASDCNBSA-N 1 0 300.402 3.200 10 0 DGAERO CC(=O)c1ccccc1OCC[NH+]1CCC(OCC(C)C)CC1 ZINC000194295214 432538289 /nfs/dbraw/zinc/53/82/89/432538289.db2.gz ODHRJMLSAUEKRO-UHFFFAOYSA-N 1 0 319.445 3.405 10 0 DGAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000155109446 432539037 /nfs/dbraw/zinc/53/90/37/432539037.db2.gz FIHULORGBZWZRU-AWEZNQCLSA-N 1 0 304.434 3.058 10 0 DGAERO O=C(Nc1ccc2cc[nH]c2c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000194308401 432539846 /nfs/dbraw/zinc/53/98/46/432539846.db2.gz PGHFBHXXXDOOQG-UHFFFAOYSA-N 1 0 310.401 3.036 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000155193669 432543278 /nfs/dbraw/zinc/54/32/78/432543278.db2.gz YLHFNQHLIIMFHI-RTBURBONSA-N 1 0 306.409 3.323 10 0 DGAERO Fc1ccc([C@@H]([NH2+][C@H]2CCc3ncnn3C2)c2ccccc2)cc1 ZINC000177310898 432611298 /nfs/dbraw/zinc/61/12/98/432611298.db2.gz QERVXUOQQDXKJP-HKUYNNGSSA-N 1 0 322.387 3.111 10 0 DGAERO CCCCOC[C@H](O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000195186153 432611410 /nfs/dbraw/zinc/61/14/10/432611410.db2.gz VICJIOLVWHQJHE-IEBWSBKVSA-N 1 0 303.446 3.316 10 0 DGAERO Fc1ccc([C@H]([NH2+][C@@H]2CCc3ncnn3C2)c2ccccc2)cc1 ZINC000177310884 432611476 /nfs/dbraw/zinc/61/14/76/432611476.db2.gz QERVXUOQQDXKJP-IEBWSBKVSA-N 1 0 322.387 3.111 10 0 DGAERO CCOc1cccnc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177329985 432612396 /nfs/dbraw/zinc/61/23/96/432612396.db2.gz PSUISYWVHDPEMB-UHFFFAOYSA-N 1 0 313.401 3.103 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)c1ccccc1 ZINC000177358897 432615225 /nfs/dbraw/zinc/61/52/25/432615225.db2.gz WBMMRIIWIJTLMI-KRWDZBQOSA-N 1 0 317.477 3.090 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000177371154 432616741 /nfs/dbraw/zinc/61/67/41/432616741.db2.gz WCHDSDCHAOWILE-QGZVFWFLSA-N 1 0 307.409 3.091 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC000155665464 432565731 /nfs/dbraw/zinc/56/57/31/432565731.db2.gz QMPXXKKIYGWRML-CJNGLKHVSA-N 1 0 308.853 3.118 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc3ccccc3c2)C1 ZINC000194664820 432567214 /nfs/dbraw/zinc/56/72/14/432567214.db2.gz IPUFCKSKWXWYFO-IBGZPJMESA-N 1 0 310.441 3.373 10 0 DGAERO CCSCc1ccc(C(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000194665148 432567253 /nfs/dbraw/zinc/56/72/53/432567253.db2.gz FBJCMHRGPLGHJY-INIZCTEOSA-N 1 0 306.475 3.154 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc3ccccc3c2)C1 ZINC000194664835 432568013 /nfs/dbraw/zinc/56/80/13/432568013.db2.gz IPUFCKSKWXWYFO-LJQANCHMSA-N 1 0 310.441 3.373 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C12CCOCC2 ZINC000186195737 432568282 /nfs/dbraw/zinc/56/82/82/432568282.db2.gz OAKIHXLVKVJRBF-JKSUJKDBSA-N 1 0 309.837 3.404 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155715831 432568968 /nfs/dbraw/zinc/56/89/68/432568968.db2.gz UNDKKJJYOXGXBW-FUHWJXTLSA-N 1 0 302.462 3.163 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC2)C12CCOCC2 ZINC000186229461 432570479 /nfs/dbraw/zinc/57/04/79/432570479.db2.gz DPYDTKLCDGNRFC-MSOLQXFVSA-N 1 0 315.457 3.282 10 0 DGAERO COc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1F ZINC000186230328 432570816 /nfs/dbraw/zinc/57/08/16/432570816.db2.gz RGRNOLMWOGHLMI-CYBMUJFWSA-N 1 0 323.412 3.220 10 0 DGAERO C[C@@H](C[N@@H+]1CCCCC[C@@H]1c1ccccc1)CS(C)(=O)=O ZINC000176966123 432571362 /nfs/dbraw/zinc/57/13/62/432571362.db2.gz HXEMVLNUHBPFEV-DOTOQJQBSA-N 1 0 309.475 3.284 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000194736701 432572946 /nfs/dbraw/zinc/57/29/46/432572946.db2.gz IEZADCFMBNNCMN-IBGZPJMESA-N 1 0 308.425 3.107 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+]CCCc1c(C)nn(C)c1C ZINC000186238811 432573414 /nfs/dbraw/zinc/57/34/14/432573414.db2.gz VUEXVGBVTWLGKW-GFCCVEGCSA-N 1 0 307.463 3.390 10 0 DGAERO CCc1noc(C)c1NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000155773541 432573765 /nfs/dbraw/zinc/57/37/65/432573765.db2.gz LVEWXVOBKBFKQJ-CQSZACIVSA-N 1 0 324.469 3.423 10 0 DGAERO CCC(CC)c1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)on1 ZINC000155759409 432573881 /nfs/dbraw/zinc/57/38/81/432573881.db2.gz HVRKJBSIHDETAR-SWLSCSKDSA-N 1 0 307.438 3.037 10 0 DGAERO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)c(C)n1C1CCCCC1 ZINC000194760946 432575344 /nfs/dbraw/zinc/57/53/44/432575344.db2.gz ZDDMTTXMYDQIHS-KRWDZBQOSA-N 1 0 317.477 3.434 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2cccc(C)c2)C12CCOCC2 ZINC000186302367 432579636 /nfs/dbraw/zinc/57/96/36/432579636.db2.gz GCQNZKQXGWCWEW-QZTJIDSGSA-N 1 0 303.446 3.101 10 0 DGAERO CCC[C@H](C(=O)N1CCC[C@H](c2nc(CC)cs2)C1)[NH+](C)C ZINC000155904986 432580156 /nfs/dbraw/zinc/58/01/56/432580156.db2.gz CORXLLYALBXQCK-DZGCQCFKSA-N 1 0 323.506 3.142 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)C12CCOCC2 ZINC000186296537 432580200 /nfs/dbraw/zinc/58/02/00/432580200.db2.gz WOVLVHVANUUYHO-JKSUJKDBSA-N 1 0 311.372 3.029 10 0 DGAERO Cc1cc(C(=O)NCc2cn3c(n2)CCCC3)c2ccccc2n1 ZINC000263831054 432583194 /nfs/dbraw/zinc/58/31/94/432583194.db2.gz PDHLUEBWDGNJNR-UHFFFAOYSA-N 1 0 320.396 3.006 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C12CCOCC2 ZINC000186323359 432583215 /nfs/dbraw/zinc/58/32/15/432583215.db2.gz UACOGBVIXCEJKY-CVEARBPZSA-N 1 0 311.372 3.029 10 0 DGAERO Cn1cc([C@H]([NH2+][C@H]2CCCSC2)c2ccc(F)cc2)cn1 ZINC000186649844 432617401 /nfs/dbraw/zinc/61/74/01/432617401.db2.gz SXLURHKIDVTAMW-JKSUJKDBSA-N 1 0 305.422 3.134 10 0 DGAERO CCCOc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177103812 432586556 /nfs/dbraw/zinc/58/65/56/432586556.db2.gz AJNKGOCXYANASR-LSDHHAIUSA-N 1 0 317.433 3.176 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000194941581 432588653 /nfs/dbraw/zinc/58/86/53/432588653.db2.gz KTCNSASNRRTIIS-RDJZCZTQSA-N 1 0 309.498 3.329 10 0 DGAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCOC[C@H]2C)cc1 ZINC000194948566 432589201 /nfs/dbraw/zinc/58/92/01/432589201.db2.gz NVKVDTLGOPNSPD-PBHICJAKSA-N 1 0 304.434 3.140 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1-n1cccn1 ZINC000177211039 432599408 /nfs/dbraw/zinc/59/94/08/432599408.db2.gz WFWVWAVDCVYKLR-PBHICJAKSA-N 1 0 321.428 3.334 10 0 DGAERO CCc1cccc(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000156554936 432600468 /nfs/dbraw/zinc/60/04/68/432600468.db2.gz UOXXYIAHLHAFNG-IBGZPJMESA-N 1 0 314.473 3.126 10 0 DGAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000177244710 432602204 /nfs/dbraw/zinc/60/22/04/432602204.db2.gz TTYZOIHEVRMBSV-OXJNMPFZSA-N 1 0 312.457 3.337 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(SC)cc1 ZINC000177430022 432623637 /nfs/dbraw/zinc/62/36/37/432623637.db2.gz QRSINPIDWWELCR-OAHLLOKOSA-N 1 0 321.490 3.034 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccccc1CCc1ccccc1 ZINC000186717335 432625740 /nfs/dbraw/zinc/62/57/40/432625740.db2.gz PDUNBNNREWXZAD-OXJNMPFZSA-N 1 0 322.452 3.200 10 0 DGAERO CCSc1ccc(Cl)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000177462283 432626919 /nfs/dbraw/zinc/62/69/19/432626919.db2.gz QRRXAUXDCMNTCE-GFCCVEGCSA-N 1 0 312.866 3.228 10 0 DGAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)C1(c2ccccc2)CCCC1 ZINC000186755618 432628599 /nfs/dbraw/zinc/62/85/99/432628599.db2.gz VLOKBUJQCREVOS-HNNXBMFYSA-N 1 0 315.461 3.020 10 0 DGAERO CC(C)(C)N1C[C@H](c2ccccc2Cl)[C@@]2(CCC[NH2+]C2)C1=O ZINC000216087817 432647868 /nfs/dbraw/zinc/64/78/68/432647868.db2.gz CHCKFJARXCICLD-KDOFPFPSSA-N 1 0 320.864 3.434 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)ccc1C ZINC000177494189 432630352 /nfs/dbraw/zinc/63/03/52/432630352.db2.gz PWGTUJBDRBFVGC-HZPDHXFCSA-N 1 0 301.434 3.394 10 0 DGAERO CCc1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)c1 ZINC000177507047 432631935 /nfs/dbraw/zinc/63/19/35/432631935.db2.gz BFEIHRBOEAHMFB-IRXDYDNUSA-N 1 0 301.434 3.340 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000186887578 432635201 /nfs/dbraw/zinc/63/52/01/432635201.db2.gz YKUUACVFNQYFPR-NSHDSACASA-N 1 0 317.832 3.480 10 0 DGAERO Cc1ccccc1SCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177551445 432636539 /nfs/dbraw/zinc/63/65/39/432636539.db2.gz DJNFKJUGVUVVRB-GJZGRUSLSA-N 1 0 306.475 3.076 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000186931586 432638788 /nfs/dbraw/zinc/63/87/88/432638788.db2.gz YKZKFURPIQOYPF-UYAOXDASSA-N 1 0 316.489 3.052 10 0 DGAERO CCOc1cc(Cl)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177659349 432646048 /nfs/dbraw/zinc/64/60/48/432646048.db2.gz YHBYEYBJIAAFPD-CYBMUJFWSA-N 1 0 323.824 3.051 10 0 DGAERO Cc1cc2occ(C(=O)N3[C@@H](C)C[NH+](C)C[C@@H]3C)c2cc1C ZINC000186649174 432618206 /nfs/dbraw/zinc/61/82/06/432618206.db2.gz SVFIBSJOXYOQSB-KBPBESRZSA-N 1 0 300.402 3.214 10 0 DGAERO CCn1c2ccc(F)cc2nc1CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177707855 432654428 /nfs/dbraw/zinc/65/44/28/432654428.db2.gz POAZDICKXKFIQR-HNNXBMFYSA-N 1 0 318.440 3.111 10 0 DGAERO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1(C)C ZINC000217857648 432656111 /nfs/dbraw/zinc/65/61/11/432656111.db2.gz QZMUWATYACPQOH-CHWSQXEVSA-N 1 0 316.214 3.491 10 0 DGAERO CCC[C@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217846836 432657161 /nfs/dbraw/zinc/65/71/61/432657161.db2.gz BQDHRYPWOHNASW-ZDUSSCGKSA-N 1 0 304.203 3.229 10 0 DGAERO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000187318521 432658312 /nfs/dbraw/zinc/65/83/12/432658312.db2.gz SFNOJIFILBNCSE-MRXNPFEDSA-N 1 0 304.434 3.254 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000187394018 432662346 /nfs/dbraw/zinc/66/23/46/432662346.db2.gz ZKMVKOPPGDULPP-MRXNPFEDSA-N 1 0 317.477 3.090 10 0 DGAERO CCc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000158922679 432663258 /nfs/dbraw/zinc/66/32/58/432663258.db2.gz XVOWICJNBSMVMS-CYBMUJFWSA-N 1 0 307.413 3.194 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1ccccc1-n1cccn1 ZINC000158972376 432664032 /nfs/dbraw/zinc/66/40/32/432664032.db2.gz ASUMALDKGLCSNK-JKSUJKDBSA-N 1 0 309.417 3.198 10 0 DGAERO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187915725 432693373 /nfs/dbraw/zinc/69/33/73/432693373.db2.gz DRBUIFVSBMHUFM-LIRRHRJNSA-N 1 0 319.445 3.271 10 0 DGAERO CCOCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178164137 432701336 /nfs/dbraw/zinc/70/13/36/432701336.db2.gz JYSDTIYXPVKUAG-CYBMUJFWSA-N 1 0 314.223 3.289 10 0 DGAERO Cc1c([C@H](C)[NH2+]CC2(CCO)CC2)cnn1-c1ccc(F)cc1 ZINC000188055490 432702563 /nfs/dbraw/zinc/70/25/63/432702563.db2.gz MQMLZAFXXQCHAV-ZDUSSCGKSA-N 1 0 317.408 3.133 10 0 DGAERO Cc1c(Cl)c(C[N@@H+]2CC[C@@H](CCO)C2)nc2ccccc12 ZINC000227566479 432711767 /nfs/dbraw/zinc/71/17/67/432711767.db2.gz GFXDXWJYKMPTQG-ZDUSSCGKSA-N 1 0 304.821 3.401 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1cncc(F)c1 ZINC000178252603 432712354 /nfs/dbraw/zinc/71/23/54/432712354.db2.gz JTHFGENMUTVRCL-CXAGYDPISA-N 1 0 313.376 3.067 10 0 DGAERO C[C@H](CC[NH2+][C@H](C)Cc1ccc(O)cc1)NC(=O)OC(C)(C)C ZINC000227669337 432713661 /nfs/dbraw/zinc/71/36/61/432713661.db2.gz OUJYDFVLCJCBQE-ZIAGYGMSSA-N 1 0 322.449 3.216 10 0 DGAERO Cc1cnn(CCCCC[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178310035 432717958 /nfs/dbraw/zinc/71/79/58/432717958.db2.gz ZFYXETXRHBWHGK-SFHVURJKSA-N 1 0 315.465 3.031 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1OC(F)F ZINC000188318857 432718981 /nfs/dbraw/zinc/71/89/81/432718981.db2.gz WOKGQDCXOZYNIB-ABAIWWIYSA-N 1 0 315.360 3.153 10 0 DGAERO Clc1ccc(I)c([C@@H]2CCC[NH2+]2)c1 ZINC000229299575 432720570 /nfs/dbraw/zinc/72/05/70/432720570.db2.gz KNEDQKMGBKVDGQ-JTQLQIEISA-N 1 0 307.562 3.369 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOc1c(C)cccc1C ZINC000178327154 432722340 /nfs/dbraw/zinc/72/23/40/432722340.db2.gz HRHZKCBUGSTVEB-GOSISDBHSA-N 1 0 313.445 3.352 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccnc4cc(Cl)ccc43)C[C@@H]21 ZINC000230133956 432724763 /nfs/dbraw/zinc/72/47/63/432724763.db2.gz LQBWOEAAAHEFCO-BYCMXARLSA-N 1 0 301.821 3.452 10 0 DGAERO C[C@H](CO)CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000230158556 432725015 /nfs/dbraw/zinc/72/50/15/432725015.db2.gz KMMUHQIPABILGN-JTQLQIEISA-N 1 0 304.203 3.086 10 0 DGAERO CCc1nc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)sc1C ZINC000177869038 432670521 /nfs/dbraw/zinc/67/05/21/432670521.db2.gz OYYGGLIIZJKBIL-SMDDNHRTSA-N 1 0 324.494 3.208 10 0 DGAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)CC)CC2)cc1 ZINC000159155887 432671682 /nfs/dbraw/zinc/67/16/82/432671682.db2.gz NGJLYEDPSPAOHW-CQSZACIVSA-N 1 0 304.434 3.078 10 0 DGAERO CN(C)c1ncccc1C[NH2+]CCCCCOc1ccccc1 ZINC000187664452 432674376 /nfs/dbraw/zinc/67/43/76/432674376.db2.gz WPEPQDNTBCYHAR-UHFFFAOYSA-N 1 0 313.445 3.487 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000159284296 432678340 /nfs/dbraw/zinc/67/83/40/432678340.db2.gz GKSATOMQVZLVFR-CQSZACIVSA-N 1 0 315.461 3.491 10 0 DGAERO COC[C@@H](C)C[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000187714311 432679335 /nfs/dbraw/zinc/67/93/35/432679335.db2.gz DJDCHNDWPVIRLO-AWEZNQCLSA-N 1 0 311.853 3.260 10 0 DGAERO COC[C@@H](C)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000178030530 432686757 /nfs/dbraw/zinc/68/67/57/432686757.db2.gz MGSUCJYWTKZJBK-JTQLQIEISA-N 1 0 304.203 3.303 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1OC ZINC000187844190 432688929 /nfs/dbraw/zinc/68/89/29/432688929.db2.gz GURWQJUJYXBOSA-DZGCQCFKSA-N 1 0 307.434 3.182 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1C ZINC000178049875 432688979 /nfs/dbraw/zinc/68/89/79/432688979.db2.gz NRSGWYWWYQXWJB-OAHLLOKOSA-N 1 0 307.401 3.130 10 0 DGAERO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187861486 432689310 /nfs/dbraw/zinc/68/93/10/432689310.db2.gz KGXHAERSBRGPLM-SWLSCSKDSA-N 1 0 308.397 3.090 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000187907864 432691392 /nfs/dbraw/zinc/69/13/92/432691392.db2.gz AMAIRZFMNGPTKU-PXAZEXFGSA-N 1 0 321.852 3.210 10 0 DGAERO C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)CC1(CO)CC1 ZINC000188959653 432754942 /nfs/dbraw/zinc/75/49/42/432754942.db2.gz BJNOMXVHBWCOPC-UHFFFAOYSA-N 1 0 321.424 3.230 10 0 DGAERO C[N@H+](Cc1ccccc1OCc1ccccc1)CC1(CO)CC1 ZINC000188947865 432755155 /nfs/dbraw/zinc/75/51/55/432755155.db2.gz BKLGIPRKSIWILN-UHFFFAOYSA-N 1 0 311.425 3.470 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000178600129 432756365 /nfs/dbraw/zinc/75/63/65/432756365.db2.gz WXVDOKKIHARBOF-KRWDZBQOSA-N 1 0 302.462 3.295 10 0 DGAERO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000188977264 432756535 /nfs/dbraw/zinc/75/65/35/432756535.db2.gz UCXNIVDOEJQZSK-SFHVURJKSA-N 1 0 321.424 3.078 10 0 DGAERO COc1c(C)cc(C[N@H+](C)C[C@@H](O)CC(F)(F)F)cc1C ZINC000189038650 432760693 /nfs/dbraw/zinc/76/06/93/432760693.db2.gz SXVWEXILFOTUAW-ZDUSSCGKSA-N 1 0 305.340 3.057 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000275943343 432761091 /nfs/dbraw/zinc/76/10/91/432761091.db2.gz ZIEANYBPSCKDGS-IEZWGBDMSA-N 1 0 324.472 3.346 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178663226 432762553 /nfs/dbraw/zinc/76/25/53/432762553.db2.gz KZFPAPUQXLONMZ-FNXXIHLHSA-N 1 0 311.491 3.262 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H](C)Cc1nc2ccccc2s1)[NH+](C)C ZINC000178662772 432762662 /nfs/dbraw/zinc/76/26/62/432762662.db2.gz UDSWLBZIXVIDDT-JSGCOSHPSA-N 1 0 319.474 3.074 10 0 DGAERO C[C@H]1C(=O)NCCC[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000189099044 432763141 /nfs/dbraw/zinc/76/31/41/432763141.db2.gz DXFQCGGLXTZITI-ZDUSSCGKSA-N 1 0 300.427 3.126 10 0 DGAERO CN1C[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCC1=O ZINC000189229336 432771494 /nfs/dbraw/zinc/77/14/94/432771494.db2.gz AKGIJCJGYWXSDY-LBPRGKRZSA-N 1 0 320.742 3.069 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1cc(C)nc2onc(C)c21 ZINC000237087325 432777866 /nfs/dbraw/zinc/77/78/66/432777866.db2.gz KYTXIQNFVPVNPV-UHFFFAOYSA-N 1 0 324.384 3.201 10 0 DGAERO C[C@H]([NH2+]CCC[S@](C)=O)[C@H](C)c1nc2ccccc2s1 ZINC000178408294 432731697 /nfs/dbraw/zinc/73/16/97/432731697.db2.gz OEHYYMWBRYCUDT-PVUDRZGPSA-N 1 0 310.488 3.147 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)Cc1ccc2c(c1)CCC2 ZINC000178432791 432735037 /nfs/dbraw/zinc/73/50/37/432735037.db2.gz AOZLMYDZLJVSFO-UHFFFAOYSA-N 1 0 308.425 3.466 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C)cc1NC(C)=O ZINC000178434425 432735566 /nfs/dbraw/zinc/73/55/66/432735566.db2.gz AQZUFISROBHWRH-IUODEOHRSA-N 1 0 322.449 3.101 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccccc1OC)CC2 ZINC000178445042 432738097 /nfs/dbraw/zinc/73/80/97/432738097.db2.gz RLHGBXKJQJWJKH-ZWKOTPCHSA-N 1 0 313.397 3.014 10 0 DGAERO CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000233953363 432739230 /nfs/dbraw/zinc/73/92/30/432739230.db2.gz LFYVUDACHKLDPV-GIPNMCIBSA-N 1 0 304.217 3.121 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000178446525 432739237 /nfs/dbraw/zinc/73/92/37/432739237.db2.gz OODFOMQTPOCRSG-QMTHXVAHSA-N 1 0 306.431 3.153 10 0 DGAERO C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000178472512 432740658 /nfs/dbraw/zinc/74/06/58/432740658.db2.gz QWECGFDUBADRBM-HOTGVXAUSA-N 1 0 315.461 3.222 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccoc3)C2)c1 ZINC000178466184 432740734 /nfs/dbraw/zinc/74/07/34/432740734.db2.gz QVLIPZRQHQSTIA-GJZGRUSLSA-N 1 0 300.402 3.465 10 0 DGAERO CC1(C)CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)c2cccc(Cl)c21 ZINC000178475929 432741275 /nfs/dbraw/zinc/74/12/75/432741275.db2.gz KLLHRNDUWSMXGA-RYUDHWBXSA-N 1 0 306.837 3.482 10 0 DGAERO Cc1ccc2c(CC[NH2+][C@@H](C)CCn3cccn3)cn(C)c2c1 ZINC000188695210 432741335 /nfs/dbraw/zinc/74/13/35/432741335.db2.gz XHBVEKRJZGTJDS-INIZCTEOSA-N 1 0 310.445 3.294 10 0 DGAERO C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000178472504 432741573 /nfs/dbraw/zinc/74/15/73/432741573.db2.gz QWECGFDUBADRBM-CVEARBPZSA-N 1 0 315.461 3.222 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccncc2OC)cc1 ZINC000188776468 432745647 /nfs/dbraw/zinc/74/56/47/432745647.db2.gz VNJNHMQFQWSBRO-ZIAGYGMSSA-N 1 0 300.402 3.381 10 0 DGAERO COc1cc(C[NH2+]C[C@H]2CCC(C)(C)O2)ccc1OC(F)F ZINC000189737664 432816058 /nfs/dbraw/zinc/81/60/58/432816058.db2.gz KQRWMSXOZCGVPS-GFCCVEGCSA-N 1 0 315.360 3.344 10 0 DGAERO COC[C@@H](C)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000189752254 432816350 /nfs/dbraw/zinc/81/63/50/432816350.db2.gz DCGRVNCBFMUYSJ-HNNXBMFYSA-N 1 0 301.434 3.224 10 0 DGAERO CC[C@](C)(O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000162283619 432818217 /nfs/dbraw/zinc/81/82/17/432818217.db2.gz JTDCJYSNSGYGBK-BEFAXECRSA-N 1 0 314.429 3.472 10 0 DGAERO COC[C@@H](C)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000189786627 432819133 /nfs/dbraw/zinc/81/91/33/432819133.db2.gz AOCPLBRNANXNBY-AWEZNQCLSA-N 1 0 319.424 3.363 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(OCCF)c1 ZINC000162327808 432820301 /nfs/dbraw/zinc/82/03/01/432820301.db2.gz ODTZXKRJNNWHCH-AWEZNQCLSA-N 1 0 323.412 3.031 10 0 DGAERO NC(=O)[C@@H]([NH2+]CCC1=CCCC1)c1cccc(Br)c1 ZINC000162303126 432820568 /nfs/dbraw/zinc/82/05/68/432820568.db2.gz KSFPMZPGNYHYCP-AWEZNQCLSA-N 1 0 323.234 3.066 10 0 DGAERO O=C(CC[N@@H+]1CCc2ccccc2C1)NC1CCCCCC1 ZINC000244424310 432821045 /nfs/dbraw/zinc/82/10/45/432821045.db2.gz YVKDGNUCYYEDRX-UHFFFAOYSA-N 1 0 300.446 3.274 10 0 DGAERO Cc1ccoc1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162391263 432822768 /nfs/dbraw/zinc/82/27/68/432822768.db2.gz FVVQOCZQPDAGKU-LJQANCHMSA-N 1 0 312.413 3.373 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)CC2 ZINC000180613335 288637113 /nfs/dbraw/zinc/63/71/13/288637113.db2.gz IWHVBITVEKDTGB-GOEBONIOSA-N 1 0 312.461 3.111 10 0 DGAERO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000245402949 432826475 /nfs/dbraw/zinc/82/64/75/432826475.db2.gz KAJBUHRESLYSAI-UXPWSPDFSA-N 1 0 311.425 3.052 10 0 DGAERO C[C@@H]([NH2+]CC1(O)CCOCC1)c1cc(F)c(Cl)cc1Cl ZINC000162601765 432828301 /nfs/dbraw/zinc/82/83/01/432828301.db2.gz XFXWGAYSEJRIAD-SECBINFHSA-N 1 0 322.207 3.325 10 0 DGAERO C[C@H](CCOc1ccccc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000245432186 432831020 /nfs/dbraw/zinc/83/10/20/432831020.db2.gz BDESFNGGPALLAJ-SJORKVTESA-N 1 0 318.461 3.082 10 0 DGAERO C[C@@H](C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)CS(C)(=O)=O ZINC000162727899 432831505 /nfs/dbraw/zinc/83/15/05/432831505.db2.gz ZAXVRRXWDUEFQI-RYUDHWBXSA-N 1 0 303.855 3.014 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000245444488 432831516 /nfs/dbraw/zinc/83/15/16/432831516.db2.gz YBXNWXXZGKLKAV-KGLIPLIRSA-N 1 0 308.470 3.092 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C1CCC1 ZINC000267339427 432832813 /nfs/dbraw/zinc/83/28/13/432832813.db2.gz GQDYEZVEGSFKTO-QAPCUYQASA-N 1 0 315.461 3.091 10 0 DGAERO C[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000245455746 432833594 /nfs/dbraw/zinc/83/35/94/432833594.db2.gz IIQRSBJDFFMNBP-BRWVUGGUSA-N 1 0 317.477 3.059 10 0 DGAERO CCC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C[C@H]1CCCCO1 ZINC000245464315 432834007 /nfs/dbraw/zinc/83/40/07/432834007.db2.gz XUWKONFLQWYKMM-BRWVUGGUSA-N 1 0 310.482 3.057 10 0 DGAERO C[C@@H]1CCC[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000245497284 432836594 /nfs/dbraw/zinc/83/65/94/432836594.db2.gz TXIKBNKEROHSRB-GTGZTVCESA-N 1 0 307.482 3.222 10 0 DGAERO Cc1nc(CN2CCC[N@H+](C[C@@H]3CC=CCC3)CC2)cs1 ZINC000245501225 432837840 /nfs/dbraw/zinc/83/78/40/432837840.db2.gz CCCLAARBZPSRSW-MRXNPFEDSA-N 1 0 305.491 3.316 10 0 DGAERO Cc1nc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)oc1C ZINC000161620345 432790570 /nfs/dbraw/zinc/79/05/70/432790570.db2.gz POUPLCFQYWHMHQ-UHFFFAOYSA-N 1 0 301.434 3.292 10 0 DGAERO O=C1NCC[C@@H]1[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000178991976 432793424 /nfs/dbraw/zinc/79/34/24/432793424.db2.gz IWBNVOGWRORVAQ-IRXDYDNUSA-N 1 0 314.816 3.102 10 0 DGAERO O=C1NCC[C@H]1[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000178991638 432793912 /nfs/dbraw/zinc/79/39/12/432793912.db2.gz YVYWKGITMUWVNA-SJORKVTESA-N 1 0 314.816 3.102 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)CC3([NH+](C)C)CCC3)cc21 ZINC000189515237 432794991 /nfs/dbraw/zinc/79/49/91/432794991.db2.gz LVOMRTACWOOCGW-UHFFFAOYSA-N 1 0 317.408 3.172 10 0 DGAERO CC(C)NC(=O)CC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000179007414 432795553 /nfs/dbraw/zinc/79/55/53/432795553.db2.gz HRTSFTBSSUHBJX-UHFFFAOYSA-N 1 0 324.852 3.098 10 0 DGAERO Cc1cccc(-c2cccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c2)c1 ZINC000237813550 432800341 /nfs/dbraw/zinc/80/03/41/432800341.db2.gz HNWSPEICOBIHBW-RTBURBONSA-N 1 0 308.425 3.406 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000237885742 432802611 /nfs/dbraw/zinc/80/26/11/432802611.db2.gz BAFNFPYWAIXMBM-IRXDYDNUSA-N 1 0 300.446 3.128 10 0 DGAERO C[NH+](C)CCN(Cc1ccccc1F)c1ccnc(C2CC2)n1 ZINC000161969193 432805681 /nfs/dbraw/zinc/80/56/81/432805681.db2.gz LARMBBCMBBYHLS-UHFFFAOYSA-N 1 0 314.408 3.061 10 0 DGAERO [NH3+]CCCCCCC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000237997703 432808119 /nfs/dbraw/zinc/80/81/19/432808119.db2.gz CHRCTSAHVGSCNX-LJQANCHMSA-N 1 0 311.429 3.196 10 0 DGAERO C[C@H](C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccccc1 ZINC000189704540 432812674 /nfs/dbraw/zinc/81/26/74/432812674.db2.gz DYHHAABTSFRHOX-OAHLLOKOSA-N 1 0 310.445 3.213 10 0 DGAERO O=C(C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000189730948 432813906 /nfs/dbraw/zinc/81/39/06/432813906.db2.gz OGICCBNTUCMXNU-IRXDYDNUSA-N 1 0 305.393 3.432 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000245740483 432860055 /nfs/dbraw/zinc/86/00/55/432860055.db2.gz LOPNLKGKDNANEJ-YJBOKZPZSA-N 1 0 312.461 3.300 10 0 DGAERO Cc1cn2c(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)c(C)nc2s1 ZINC000245770566 432862511 /nfs/dbraw/zinc/86/25/11/432862511.db2.gz RRBLSSNLKDRZIM-ZFWWWQNUSA-N 1 0 305.447 3.014 10 0 DGAERO CN(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(F)cc1 ZINC000245882965 432866927 /nfs/dbraw/zinc/86/69/27/432866927.db2.gz LCVVKNHUOXUCJM-MLHJIOFPSA-N 1 0 320.452 3.222 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)CC3 ZINC000245895265 432868089 /nfs/dbraw/zinc/86/80/89/432868089.db2.gz CWOZQRNOSUQDPD-HDMKZQKVSA-N 1 0 312.457 3.474 10 0 DGAERO COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000245895065 432868349 /nfs/dbraw/zinc/86/83/49/432868349.db2.gz SGULIFACVSSKRX-GDBMZVCRSA-N 1 0 308.853 3.265 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000245905655 432869011 /nfs/dbraw/zinc/86/90/11/432869011.db2.gz OMZBDWQTOBSABL-KYJSFNMBSA-N 1 0 321.486 3.443 10 0 DGAERO CC[C@H](C)[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000245919304 432870206 /nfs/dbraw/zinc/87/02/06/432870206.db2.gz SQPGYHWYPNAMQL-WDEREUQCSA-N 1 0 306.233 3.463 10 0 DGAERO COc1ccc([C@H](C)CN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000245948461 432872378 /nfs/dbraw/zinc/87/23/78/432872378.db2.gz WGFUVCSQOWLFJO-CZUORRHYSA-N 1 0 318.442 3.329 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)OC2CCCCCC2)[C@@H](C)C1 ZINC000246028849 432874333 /nfs/dbraw/zinc/87/43/33/432874333.db2.gz PEOZJAWFJUJWCZ-BQFCYCMXSA-N 1 0 324.509 3.303 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(F)c2)[C@@H](C)C1 ZINC000246017159 432874744 /nfs/dbraw/zinc/87/47/44/432874744.db2.gz UBKJPOROIIPUIN-XJKSGUPXSA-N 1 0 307.413 3.328 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2OC)[C@@H](C)C1 ZINC000246038681 432875376 /nfs/dbraw/zinc/87/53/76/432875376.db2.gz OOQCUPCUQWOJIM-WFASDCNBSA-N 1 0 323.412 3.028 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000277928764 432879078 /nfs/dbraw/zinc/87/90/78/432879078.db2.gz QJTODAGJBPEAQV-ZANVPECISA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000277928740 432879124 /nfs/dbraw/zinc/87/91/24/432879124.db2.gz QJTODAGJBPEAQV-RNCFNFMXSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1ccc(C[C@H](C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000245523904 432840116 /nfs/dbraw/zinc/84/01/16/432840116.db2.gz NGXAADADAVOMAR-JZXOWHBKSA-N 1 0 302.462 3.019 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000245573220 432846608 /nfs/dbraw/zinc/84/66/08/432846608.db2.gz YUPZWSPJNBLEDJ-SWLSCSKDSA-N 1 0 323.412 3.028 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245596525 432848012 /nfs/dbraw/zinc/84/80/12/432848012.db2.gz NFGLYXHOSZNCFM-XKQJLSEDSA-N 1 0 310.869 3.490 10 0 DGAERO C[N@@H+]1CC[C@H](Nc2ccc(C(F)(F)F)nn2)[C@H]1c1ccccc1 ZINC000245595088 432848103 /nfs/dbraw/zinc/84/81/03/432848103.db2.gz LKOUCDWOKADBLB-SWLSCSKDSA-N 1 0 322.334 3.353 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)NCCC2=CCCC2)[C@H]1c1ccccc1 ZINC000245612031 432848881 /nfs/dbraw/zinc/84/88/81/432848881.db2.gz BTJARHKAJUXZIA-QZTJIDSGSA-N 1 0 313.445 3.231 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)NCCC2=CCCC2)[C@H]1c1ccccc1 ZINC000245612041 432849615 /nfs/dbraw/zinc/84/96/15/432849615.db2.gz BTJARHKAJUXZIA-ZWKOTPCHSA-N 1 0 313.445 3.231 10 0 DGAERO CCCc1cnc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000245631905 432851339 /nfs/dbraw/zinc/85/13/39/432851339.db2.gz UUSFSTPIPXMJBN-NWDGAFQWSA-N 1 0 310.467 3.042 10 0 DGAERO C[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000163366501 432851354 /nfs/dbraw/zinc/85/13/54/432851354.db2.gz KCQLCABDTJGBEZ-BEFAXECRSA-N 1 0 300.446 3.203 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000245656595 432852507 /nfs/dbraw/zinc/85/25/07/432852507.db2.gz CPDFQJWRAHIASL-KBAYOESNSA-N 1 0 315.461 3.324 10 0 DGAERO CN1CC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c2ccccc21 ZINC000245654695 432853211 /nfs/dbraw/zinc/85/32/11/432853211.db2.gz CURJKNIMFYOWPN-OPNNQBFTSA-N 1 0 314.473 3.403 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)CCCO2 ZINC000163501860 432854570 /nfs/dbraw/zinc/85/45/70/432854570.db2.gz LECVVQVJZBJEDI-WMZOPIPTSA-N 1 0 319.445 3.384 10 0 DGAERO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000245682986 432855230 /nfs/dbraw/zinc/85/52/30/432855230.db2.gz VSGRJEBXCDXFGS-SNRMKQJTSA-N 1 0 323.440 3.492 10 0 DGAERO Cc1nn(-c2ccccc2)cc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245686095 432855961 /nfs/dbraw/zinc/85/59/61/432855961.db2.gz AOYSGDVZVXSVNX-HNAYVOBHSA-N 1 0 312.461 3.095 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)c1c(F)cccc1F ZINC000245713191 432858037 /nfs/dbraw/zinc/85/80/37/432858037.db2.gz UFVORTINKYSUQV-MGPQQGTHSA-N 1 0 322.399 3.154 10 0 DGAERO C[C@H]1C(=O)CC[C@@H](c2nc(-c3ccn4c[nH+]cc4c3)no2)C1(C)C ZINC000289107326 432922814 /nfs/dbraw/zinc/92/28/14/432922814.db2.gz LOKUWTLAFVJFGV-FZMZJTMJSA-N 1 0 324.384 3.493 10 0 DGAERO CC[C@@H]1CCN1Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000330277674 432901933 /nfs/dbraw/zinc/90/19/33/432901933.db2.gz OPBCHSZZUGXVJA-WDEREUQCSA-N 1 0 316.474 3.383 10 0 DGAERO c1cn(-c2ccccc2)nc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000341140340 432973637 /nfs/dbraw/zinc/97/36/37/432973637.db2.gz DMXLSBXSUWDBMZ-HXUWFJFHSA-N 1 0 324.472 3.323 10 0 DGAERO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)CCO1 ZINC000341253089 433005802 /nfs/dbraw/zinc/00/58/02/433005802.db2.gz JHPVVEQGMPWDBL-IEBWSBKVSA-N 1 0 313.445 3.225 10 0 DGAERO CC[C@H]1CCCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)CC1 ZINC000332688281 433012970 /nfs/dbraw/zinc/01/29/70/433012970.db2.gz PHNDQZGNBJPTAZ-JKSUJKDBSA-N 1 0 318.465 3.291 10 0 DGAERO CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)CC1 ZINC000332688280 433013256 /nfs/dbraw/zinc/01/32/56/433013256.db2.gz PHNDQZGNBJPTAZ-HOTGVXAUSA-N 1 0 318.465 3.291 10 0 DGAERO Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H]1CCc3ccccc31)CCC2 ZINC000332691493 433013273 /nfs/dbraw/zinc/01/32/73/433013273.db2.gz SSZWDQPLKRNEDU-WBVHZDCISA-N 1 0 324.428 3.056 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000341294093 433020662 /nfs/dbraw/zinc/02/06/62/433020662.db2.gz RIZWARVSQUPVOZ-KBPBESRZSA-N 1 0 317.433 3.274 10 0 DGAERO Cc1oc2ccc(NC(=O)N[C@H]3CCCC[NH2+]C3)cc2c1C ZINC000333406094 433053175 /nfs/dbraw/zinc/05/31/75/433053175.db2.gz ZGOFRPFQXPDDRV-AWEZNQCLSA-N 1 0 301.390 3.313 10 0 DGAERO CC[C@H]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000156002667 292721694 /nfs/dbraw/zinc/72/16/94/292721694.db2.gz WQFBBBVELPMJLT-WMZOPIPTSA-N 1 0 321.509 3.473 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccccc2C1 ZINC000171621967 289289656 /nfs/dbraw/zinc/28/96/56/289289656.db2.gz RTFUOTCOIJGECC-FQEVSTJZSA-N 1 0 322.452 3.134 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)cn2)C[C@H](C)O1 ZINC000341493867 433095016 /nfs/dbraw/zinc/09/50/16/433095016.db2.gz XCQWCROIFGBJPJ-ZSBIGDGJSA-N 1 0 313.239 3.137 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)[C@@H](C)O ZINC000453331329 433096501 /nfs/dbraw/zinc/09/65/01/433096501.db2.gz TXHCRVDZMNCNOB-LQJRIPTKSA-N 1 0 302.340 3.227 10 0 DGAERO [NH3+][C@@H]1CC[C@H]2CN(c3nc4cc(Cl)cc(Cl)c4o3)C[C@H]12 ZINC000333926838 433129790 /nfs/dbraw/zinc/12/97/90/433129790.db2.gz VVIXOVSAYABSRC-OVYXKVPISA-N 1 0 312.200 3.308 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000361385886 433147590 /nfs/dbraw/zinc/14/75/90/433147590.db2.gz SYGFMUGAGRAAFW-OAHLLOKOSA-N 1 0 310.482 3.010 10 0 DGAERO c1cc2c(cc1C[N@H+]1CCC[C@H](C[C@@H]3CCOC3)C1)OCCO2 ZINC000373136281 433100664 /nfs/dbraw/zinc/10/06/64/433100664.db2.gz BQZLWEBISLSNHL-WBVHZDCISA-N 1 0 317.429 3.096 10 0 DGAERO O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333796202 433105837 /nfs/dbraw/zinc/10/58/37/433105837.db2.gz NHBNFGUNDHACNR-MGPQQGTHSA-N 1 0 321.852 3.027 10 0 DGAERO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)C3(OC)CCOCC3)C2)c1 ZINC000453347226 433109460 /nfs/dbraw/zinc/10/94/60/433109460.db2.gz FMQOHCHMJZRZPG-XIRDDKMYSA-N 1 0 319.445 3.115 10 0 DGAERO Cc1cc(NC(=O)N2CCC3(CC[NH2+]3)CC2)ccc1OC(C)C ZINC000333842945 433116338 /nfs/dbraw/zinc/11/63/38/433116338.db2.gz OPUVZEGBNUWUMW-UHFFFAOYSA-N 1 0 317.433 3.142 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1C ZINC000420349497 433176824 /nfs/dbraw/zinc/17/68/24/433176824.db2.gz PHSXUTIMDVGJMM-CALCHBBNSA-N 1 0 300.446 3.141 10 0 DGAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1nc(C2CC2)cs1 ZINC000185706537 289580531 /nfs/dbraw/zinc/58/05/31/289580531.db2.gz SGVDQEFUCZDSOG-GFCCVEGCSA-N 1 0 322.478 3.407 10 0 DGAERO C[C@@H](CC[NH2+]Cc1csc(Cl)c1Cl)[S@@](C)=O ZINC000336740071 433194840 /nfs/dbraw/zinc/19/48/40/433194840.db2.gz LYZHYFQFNLDDRK-HYORBCNSSA-N 1 0 300.276 3.302 10 0 DGAERO CC(=O)c1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1C ZINC000447459437 433201545 /nfs/dbraw/zinc/20/15/45/433201545.db2.gz IYRZGSCBPDDBRM-GJZGRUSLSA-N 1 0 316.445 3.190 10 0 DGAERO c1cn2c(cccc2C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)n1 ZINC000374498379 433203243 /nfs/dbraw/zinc/20/32/43/433203243.db2.gz VCLVZARTTLWZQA-QFBILLFUSA-N 1 0 307.397 3.202 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cccc(OCC)c2)CC1 ZINC000157790849 292752843 /nfs/dbraw/zinc/75/28/43/292752843.db2.gz UTFFITXJHFVEQJ-UHFFFAOYSA-N 1 0 319.449 3.329 10 0 DGAERO c1cn(Cc2ccccc2)c(C[NH2+]CCOCC2CCCC2)n1 ZINC000453586584 433218325 /nfs/dbraw/zinc/21/83/25/433218325.db2.gz PUXWNQKHNOAJQO-UHFFFAOYSA-N 1 0 313.445 3.228 10 0 DGAERO c1ccc(-c2ccc(CN3CCC[C@H]3C[NH+]3CCCC3)cn2)nc1 ZINC000425390939 433224530 /nfs/dbraw/zinc/22/45/30/433224530.db2.gz COOMZPXZKAIMQJ-SFHVURJKSA-N 1 0 322.456 3.204 10 0 DGAERO Brc1ccc([C@H]2C[C@H]([NH2+]Cc3cncnc3)C2)cc1 ZINC000291309265 433234038 /nfs/dbraw/zinc/23/40/38/433234038.db2.gz RMFUKLYRKWNPHP-CTYIDZIISA-N 1 0 318.218 3.275 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC4(C3)CCOCC4)cn2)nc1 ZINC000425416000 433234564 /nfs/dbraw/zinc/23/45/64/433234564.db2.gz HVNLHTPGEGKFIX-UHFFFAOYSA-N 1 0 309.413 3.146 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1CN1CCOC[C@H]1CC1CCC1 ZINC000354730574 433243939 /nfs/dbraw/zinc/24/39/39/433243939.db2.gz NJOXYCWGWIZBHQ-ZBFHGGJFSA-N 1 0 322.474 3.386 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)cn2)nc1 ZINC000425443061 433246965 /nfs/dbraw/zinc/24/69/65/433246965.db2.gz JDUIKHFNXUPEMM-SFHVURJKSA-N 1 0 323.440 3.392 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)cn2)nc1 ZINC000425469896 433256380 /nfs/dbraw/zinc/25/63/80/433256380.db2.gz FDEDHHRQNYJALQ-LJQANCHMSA-N 1 0 309.413 3.146 10 0 DGAERO c1cn(CC[NH2+][C@@H](COCc2ccccc2)c2ccccc2)cn1 ZINC000341851136 433314000 /nfs/dbraw/zinc/31/40/00/433314000.db2.gz FQWMJUOUTZPEOX-FQEVSTJZSA-N 1 0 321.424 3.431 10 0 DGAERO Cn1ccc([C@@H]([NH2+]C2CCSCC2)c2ccc(F)cc2)n1 ZINC000374980999 433324584 /nfs/dbraw/zinc/32/45/84/433324584.db2.gz PZZWUYKKOSGVOI-INIZCTEOSA-N 1 0 305.422 3.134 10 0 DGAERO Cc1ccc2c(c1)CN(C(=O)NC1CC([NH+]3CCCCC3)C1)C2 ZINC000361621838 433297355 /nfs/dbraw/zinc/29/73/55/433297355.db2.gz JMEOJXCSKMXKCR-UHFFFAOYSA-N 1 0 313.445 3.037 10 0 DGAERO Cc1nn(C)c(C[NH2+][C@H]2CCCC(F)(F)C2)c1Br ZINC000447891117 433313042 /nfs/dbraw/zinc/31/30/42/433313042.db2.gz ABBGCFXACVJFMX-VIFPVBQESA-N 1 0 322.197 3.159 10 0 DGAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420965430 433352948 /nfs/dbraw/zinc/35/29/48/433352948.db2.gz SDNCMGDZSSPRMD-RTBURBONSA-N 1 0 303.446 3.076 10 0 DGAERO CC(=O)c1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c(F)c1 ZINC000351049931 433355668 /nfs/dbraw/zinc/35/56/68/433355668.db2.gz QBCDWFXSQTYUEW-UHFFFAOYSA-N 1 0 322.299 3.393 10 0 DGAERO CC[C@H]1CCCCN1C(=O)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000361727747 433362253 /nfs/dbraw/zinc/36/22/53/433362253.db2.gz NNZIZCFHPVFLEW-WBVHZDCISA-N 1 0 318.461 3.046 10 0 DGAERO C[C@H](NC(=O)CSC(C)(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000187194855 289815864 /nfs/dbraw/zinc/81/58/64/289815864.db2.gz FXUQIWDUJYGMSM-XJKSGUPXSA-N 1 0 308.491 3.326 10 0 DGAERO c1[nH]c2ccccc2c1Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351076481 433366027 /nfs/dbraw/zinc/36/60/27/433366027.db2.gz IEHGBMAJFBUYEN-UHFFFAOYSA-N 1 0 315.336 3.456 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000375273133 433407679 /nfs/dbraw/zinc/40/76/79/433407679.db2.gz XODZKDMGGLUXBJ-LJQANCHMSA-N 1 0 303.446 3.138 10 0 DGAERO c1ncn(Cc2ccccc2)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342028631 433421191 /nfs/dbraw/zinc/42/11/91/433421191.db2.gz ZAAHCYYARHPUCN-RTBURBONSA-N 1 0 311.429 3.075 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)Cn1cncn1 ZINC000342072200 433449142 /nfs/dbraw/zinc/44/91/42/433449142.db2.gz SQQLDOUHBYPDPG-XEVNVYFWSA-N 1 0 324.350 3.379 10 0 DGAERO Cc1c(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cccc1N(C)C ZINC000375418392 433457558 /nfs/dbraw/zinc/45/75/58/433457558.db2.gz XTUNJZNVSIXXOH-OAHLLOKOSA-N 1 0 318.465 3.009 10 0 DGAERO CCOc1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375415531 433458930 /nfs/dbraw/zinc/45/89/30/433458930.db2.gz PKLCYYMTSIBRPJ-OAHLLOKOSA-N 1 0 313.401 3.335 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1cnccn1 ZINC000245579479 290016957 /nfs/dbraw/zinc/01/69/57/290016957.db2.gz GNYOIYUGHSELTG-MJEQTWJJSA-N 1 0 316.836 3.226 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)c1 ZINC000339254960 433474063 /nfs/dbraw/zinc/47/40/63/433474063.db2.gz OAXPEIAPDYYBOF-CHWSQXEVSA-N 1 0 308.397 3.282 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000355190701 433520757 /nfs/dbraw/zinc/52/07/57/433520757.db2.gz AVLQWSYPMDTWGV-IRXDYDNUSA-N 1 0 311.429 3.325 10 0 DGAERO c1cc(N2CCCC2)ncc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421378083 433524158 /nfs/dbraw/zinc/52/41/58/433524158.db2.gz KEHFKTSRMVPGSS-MRXNPFEDSA-N 1 0 317.502 3.305 10 0 DGAERO c1ccc(N2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)nc1 ZINC000421386700 433532500 /nfs/dbraw/zinc/53/25/00/433532500.db2.gz RNMFPKZGAHBNEZ-OAHLLOKOSA-N 1 0 317.502 3.173 10 0 DGAERO COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000362131230 433536453 /nfs/dbraw/zinc/53/64/53/433536453.db2.gz WGYSCWPZLGLKSN-ROUUACIJSA-N 1 0 322.408 3.078 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CC23CCSCC3)c2c(c1)OCCO2 ZINC000421345300 433488902 /nfs/dbraw/zinc/48/89/02/433488902.db2.gz AJOHMQNDHNFCOP-CQSZACIVSA-N 1 0 305.443 3.081 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CC23CCSCC3)c2c(c1)OCCCO2 ZINC000421356128 433501640 /nfs/dbraw/zinc/50/16/40/433501640.db2.gz WEOIZXJMQJUMKT-HNNXBMFYSA-N 1 0 319.470 3.471 10 0 DGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCC1(F)CCC1 ZINC000342218433 433548740 /nfs/dbraw/zinc/54/87/40/433548740.db2.gz RITCSKGHXJDCAI-UHFFFAOYSA-N 1 0 319.829 3.115 10 0 DGAERO C[C@@H]1CCN(c2ccnc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000301465736 433567158 /nfs/dbraw/zinc/56/71/58/433567158.db2.gz XFPZWOHUXXQHBT-MRXNPFEDSA-N 1 0 322.456 3.455 10 0 DGAERO C[NH+]1CCC(CNC(=O)C2=C(c3ccccc3)CCCC2)CC1 ZINC000448857431 433582655 /nfs/dbraw/zinc/58/26/55/433582655.db2.gz FTJFBOPYCMOEJS-UHFFFAOYSA-N 1 0 312.457 3.472 10 0 DGAERO C[NH+](C)CCN(Cc1cccc(F)c1)c1ccnc(C2CC2)n1 ZINC000162152762 292847964 /nfs/dbraw/zinc/84/79/64/292847964.db2.gz BKKMVKMWSQSPJW-UHFFFAOYSA-N 1 0 314.408 3.061 10 0 DGAERO FC(F)Cn1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cn1 ZINC000351660772 433644692 /nfs/dbraw/zinc/64/46/92/433644692.db2.gz GEVOKIYFASRMTA-HNNXBMFYSA-N 1 0 313.392 3.072 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]CC1(c3ccccc3)CCOCC1)CCC2 ZINC000375863207 433596268 /nfs/dbraw/zinc/59/62/68/433596268.db2.gz WAICTVAOVNWMJL-KRWDZBQOSA-N 1 0 311.429 3.125 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](c2nnc[nH]2)C1 ZINC000375864065 433598253 /nfs/dbraw/zinc/59/82/53/433598253.db2.gz ZJLDHWXOKFIBLZ-AWEZNQCLSA-N 1 0 307.401 3.354 10 0 DGAERO Brc1cccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)c1 ZINC000375896401 433604852 /nfs/dbraw/zinc/60/48/52/433604852.db2.gz WMRNFRQAGCLNSO-CYBMUJFWSA-N 1 0 306.207 3.339 10 0 DGAERO Cc1ccc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1Br ZINC000313745222 292889563 /nfs/dbraw/zinc/88/95/63/292889563.db2.gz BHXNJFXQAKWUDU-WFASDCNBSA-N 1 0 311.267 3.139 10 0 DGAERO Cc1cc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000376068047 433654837 /nfs/dbraw/zinc/65/48/37/433654837.db2.gz OEGRVAJTFVUQLM-FUHWJXTLSA-N 1 0 313.445 3.026 10 0 DGAERO Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000366496726 292955431 /nfs/dbraw/zinc/95/54/31/292955431.db2.gz YURCCJPESWAAOR-LJQANCHMSA-N 1 0 324.472 3.304 10 0 DGAERO CCS[C@@H](C)c1noc(C[NH2+]C2(CCO)CCCCC2)n1 ZINC000362380165 433672639 /nfs/dbraw/zinc/67/26/39/433672639.db2.gz XJGZAFWWJWHZCO-LBPRGKRZSA-N 1 0 313.467 3.059 10 0 DGAERO Cc1cc(NC[C@H](C)[N@@H+]2CCOC[C@@H]2C)c2cccc(F)c2n1 ZINC000301695483 433680945 /nfs/dbraw/zinc/68/09/45/433680945.db2.gz YOHLOXDFUBYXMX-KBPBESRZSA-N 1 0 317.408 3.203 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000283184901 433684392 /nfs/dbraw/zinc/68/43/92/433684392.db2.gz KDRLYJRBWWJNNX-FXECBMLZSA-N 1 0 300.446 3.027 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000283184907 433686938 /nfs/dbraw/zinc/68/69/38/433686938.db2.gz KDRLYJRBWWJNNX-XIVBQZFQSA-N 1 0 300.446 3.027 10 0 DGAERO c1c(C[NH2+]C[C@@H]2COc3ccccc32)[nH]nc1-c1ccccc1 ZINC000342425260 433687293 /nfs/dbraw/zinc/68/72/93/433687293.db2.gz GSDGDUSAMQFTQO-OAHLLOKOSA-N 1 0 305.381 3.343 10 0 DGAERO c1cc2cc(CC[NH2+]Cc3cc(-c4cccnc4)n[nH]3)ccc2[nH]1 ZINC000366919084 293004801 /nfs/dbraw/zinc/00/48/01/293004801.db2.gz BHRAPSKERZVRRJ-UHFFFAOYSA-N 1 0 317.396 3.285 10 0 DGAERO Cn1cc(-c2ccccc2CNC(=[NH2+])NC2CCCCC2)cn1 ZINC000366937264 293006344 /nfs/dbraw/zinc/00/63/44/293006344.db2.gz BEKGTAKKCBHYIY-UHFFFAOYSA-N 1 0 311.433 3.034 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC(F)F ZINC000367181547 293034864 /nfs/dbraw/zinc/03/48/64/293034864.db2.gz YUWKRQOYCINBCI-HOCLYGCPSA-N 1 0 312.404 3.116 10 0 DGAERO O=C(Cc1coc2ccccc12)NC1CC([NH+]2CCCCC2)C1 ZINC000367525789 293083070 /nfs/dbraw/zinc/08/30/70/293083070.db2.gz DTRQWNYZPLAPQQ-UHFFFAOYSA-N 1 0 312.413 3.108 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@@H]3[C@@H]4c5ccccc5C[C@@H]43)o2)n[nH]1 ZINC000368452358 293124216 /nfs/dbraw/zinc/12/42/16/293124216.db2.gz APHQYZVSVCJMDG-JTDSTZFVSA-N 1 0 305.381 3.345 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@H]3CCOC4(CCCC4)C3)o2)n[nH]1 ZINC000368459969 293125582 /nfs/dbraw/zinc/12/55/82/293125582.db2.gz XVYUSPRJMFLBNB-ZDUSSCGKSA-N 1 0 301.390 3.251 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1C[C@@H]3CCCC[C@H]3C1)CC2 ZINC000370158787 293159601 /nfs/dbraw/zinc/15/96/01/293159601.db2.gz DYSZABIBUGJCOS-ILXRZTDVSA-N 1 0 315.461 3.287 10 0 DGAERO Brc1cscc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370204431 293163113 /nfs/dbraw/zinc/16/31/13/293163113.db2.gz PZVOMOUQVQZNRA-RYUDHWBXSA-N 1 0 315.280 3.227 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000370722892 293185749 /nfs/dbraw/zinc/18/57/49/293185749.db2.gz UTWNXGNIBZKTRR-QGZVFWFLSA-N 1 0 311.429 3.325 10 0 DGAERO C[C@H]1CCC[N@@H+]1C1CCN(c2ncnc3ccc(F)cc32)CC1 ZINC000301751534 433708377 /nfs/dbraw/zinc/70/83/77/433708377.db2.gz BCFGNBSOBCCULB-ZDUSSCGKSA-N 1 0 314.408 3.222 10 0 DGAERO Cc1nc(Cl)cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000301987538 293281100 /nfs/dbraw/zinc/28/11/00/293281100.db2.gz DLGIXFBPUXSQBV-LBPRGKRZSA-N 1 0 304.825 3.371 10 0 DGAERO Cc1nccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000373605790 293296448 /nfs/dbraw/zinc/29/64/48/293296448.db2.gz AJDVRZNBPLFGHJ-ROUUACIJSA-N 1 0 315.392 3.012 10 0 DGAERO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCCC12CCC2 ZINC000373872494 293326015 /nfs/dbraw/zinc/32/60/15/293326015.db2.gz HKXSUTCUGMPNEZ-HNNXBMFYSA-N 1 0 317.433 3.145 10 0 DGAERO OC[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000374039991 293345389 /nfs/dbraw/zinc/34/53/89/293345389.db2.gz STBMWJWMRYBLHQ-LLVKDONJSA-N 1 0 316.214 3.183 10 0 DGAERO Brc1cccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374404676 293395787 /nfs/dbraw/zinc/39/57/87/293395787.db2.gz XKTYZVFYIPEPSX-ZIAGYGMSSA-N 1 0 310.235 3.308 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(F)cn1 ZINC000283406720 433720867 /nfs/dbraw/zinc/72/08/67/433720867.db2.gz QRSFCCCPSNQYEW-NWDGAFQWSA-N 1 0 311.401 3.127 10 0 DGAERO CCc1c(Cl)nc(C)nc1N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000301800817 433728071 /nfs/dbraw/zinc/72/80/71/433728071.db2.gz VVOBLTOQXXHICJ-GFCCVEGCSA-N 1 0 322.884 3.454 10 0 DGAERO C/C(=C/c1ccccc1)CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC000427594856 433736426 /nfs/dbraw/zinc/73/64/26/433736426.db2.gz ZEDXZEWUBKTQCJ-QINSGFPZSA-N 1 0 309.413 3.323 10 0 DGAERO CCc1nc2sccc2c(N2C[C@H]3CCC[N@H+]3C[C@H]2CC)n1 ZINC000301835342 433748664 /nfs/dbraw/zinc/74/86/64/433748664.db2.gz LCIJIUMWEXHUNG-CHWSQXEVSA-N 1 0 316.474 3.317 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@H](C)C2CCCC2)cs1)C1CC1 ZINC000449702197 433764985 /nfs/dbraw/zinc/76/49/85/433764985.db2.gz CWSDARGQIMLJDV-LLVKDONJSA-N 1 0 307.463 3.327 10 0 DGAERO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000449757956 433769159 /nfs/dbraw/zinc/76/91/59/433769159.db2.gz FJESCVFAMRCXQW-QZTJIDSGSA-N 1 0 313.445 3.369 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000362450127 433724993 /nfs/dbraw/zinc/72/49/93/433724993.db2.gz PSVFHKZQLHZWCY-RBUKOAKNSA-N 1 0 303.446 3.137 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000376627252 433791550 /nfs/dbraw/zinc/79/15/50/433791550.db2.gz NGBMQAJLEQHUMG-MGPQQGTHSA-N 1 0 303.450 3.333 10 0 DGAERO c1nc(C2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)c[nH]1 ZINC000339821065 433803894 /nfs/dbraw/zinc/80/38/94/433803894.db2.gz XNVMGUHRTAQWAB-UHFFFAOYSA-N 1 0 321.428 3.034 10 0 DGAERO COc1ccc(N(CC(C)C)C(=O)CC2CC[NH+](C)CC2)cc1 ZINC000362671762 433817585 /nfs/dbraw/zinc/81/75/85/433817585.db2.gz LLHAHMLXNLQKQC-UHFFFAOYSA-N 1 0 318.461 3.416 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)Nc2sc(C)nc2C)CC1 ZINC000362671009 433817682 /nfs/dbraw/zinc/81/76/82/433817682.db2.gz YPBPHXQGCGHPFE-UHFFFAOYSA-N 1 0 324.494 3.346 10 0 DGAERO Clc1ccc(Br)cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375742697 293564913 /nfs/dbraw/zinc/56/49/13/293564913.db2.gz IMOAEQHMYUIKFG-CNDDSTCGSA-N 1 0 316.626 3.085 10 0 DGAERO c1cc(-c2ccc(C[NH+]3CCC(c4ccccn4)CC3)o2)n[nH]1 ZINC000375759933 293566875 /nfs/dbraw/zinc/56/68/75/293566875.db2.gz PPQOHAJLOIMEJS-UHFFFAOYSA-N 1 0 308.385 3.444 10 0 DGAERO C[C@H](N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1nc(C2CC2)no1 ZINC000284282742 433877889 /nfs/dbraw/zinc/87/78/89/433877889.db2.gz NKXSCCYFKZMHIE-VBNZEHGJSA-N 1 0 312.417 3.043 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CNCC[NH2+]C1CCCCCC1 ZINC000414814286 433851722 /nfs/dbraw/zinc/85/17/22/433851722.db2.gz RMIZCVIBRNVFAD-UHFFFAOYSA-N 1 0 312.461 3.479 10 0 DGAERO CC[N@H+](C)[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000302770268 433857652 /nfs/dbraw/zinc/85/76/52/433857652.db2.gz MQYDNBRBOCNIHA-SNVBAGLBSA-N 1 0 307.747 3.284 10 0 DGAERO COC(=O)[C@@H](CC(C)C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000352103085 433915572 /nfs/dbraw/zinc/91/55/72/433915572.db2.gz YCPBJEMPBQRWBE-GOSISDBHSA-N 1 0 319.445 3.255 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NCc1cc(Br)ccc1Cl ZINC000414937911 433927130 /nfs/dbraw/zinc/92/71/30/433927130.db2.gz CVHUPAXRIHVFQJ-ZANVPECISA-N 1 0 317.658 3.190 10 0 DGAERO c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](C[C@H]4CCC=CO4)C3)n2)cc1 ZINC000377671996 433947323 /nfs/dbraw/zinc/94/73/23/433947323.db2.gz AKNBHDNORPYSBV-DLBZAZTESA-N 1 0 324.428 3.344 10 0 DGAERO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000457053956 433955141 /nfs/dbraw/zinc/95/51/41/433955141.db2.gz KOUSGQUEGBWNJY-HIFRSBDPSA-N 1 0 322.399 3.059 10 0 DGAERO CCCCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400325526 293863439 /nfs/dbraw/zinc/86/34/39/293863439.db2.gz CHGLIPKKONNRBN-CABCVRRESA-N 1 0 314.470 3.038 10 0 DGAERO CC(C)OCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400488347 293864884 /nfs/dbraw/zinc/86/48/84/293864884.db2.gz YGTUTDUBNWLXEQ-CABCVRRESA-N 1 0 314.470 3.037 10 0 DGAERO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1(Cc2ccccc2)CC1 ZINC000378053277 434065618 /nfs/dbraw/zinc/06/56/18/434065618.db2.gz WDYOZPRSYYYQMV-ZWKOTPCHSA-N 1 0 312.457 3.095 10 0 DGAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C1CCC([NH3+])CC1 ZINC000309552761 434094147 /nfs/dbraw/zinc/09/41/47/434094147.db2.gz YEFDUGQETFGNHM-NNGSBXSVSA-N 1 0 300.446 3.331 10 0 DGAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000309580481 434098631 /nfs/dbraw/zinc/09/86/31/434098631.db2.gz LFAVTTJOCBGARP-JLSDUUJJSA-N 1 0 300.446 3.189 10 0 DGAERO c1onc(Cc2ccccc2)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000353385568 434099450 /nfs/dbraw/zinc/09/94/50/434099450.db2.gz HFELDCBWLGPKNE-LJQANCHMSA-N 1 0 312.413 3.268 10 0 DGAERO C(=C\c1ccccc1)\CC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000450240761 434047370 /nfs/dbraw/zinc/04/73/70/434047370.db2.gz HGLNWOITFXLMFP-YHYXMXQVSA-N 1 0 307.441 3.303 10 0 DGAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1cnc2ccccc2n1 ZINC000310319318 434110007 /nfs/dbraw/zinc/11/00/07/434110007.db2.gz WDUWULCLIGSNMC-INIZCTEOSA-N 1 0 320.440 3.240 10 0 DGAERO COC[C@H](C)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000310948099 434111714 /nfs/dbraw/zinc/11/17/14/434111714.db2.gz LIARYTPWKMCJDU-GFCCVEGCSA-N 1 0 316.239 3.042 10 0 DGAERO C[C@@H]1CN(Cc2ccc(Br)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000311186540 434111863 /nfs/dbraw/zinc/11/18/63/434111863.db2.gz CEVBOIJIGNHQEP-QMTHXVAHSA-N 1 0 315.230 3.005 10 0 DGAERO C[C@@H](c1csnn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000450351254 434123036 /nfs/dbraw/zinc/12/30/36/434123036.db2.gz UKXZARLDZHXLGN-GJZGRUSLSA-N 1 0 308.495 3.187 10 0 DGAERO C[C@H]([NH2+]CCc1ccccc1Br)[C@H]1CCCOC1 ZINC000507505042 294301777 /nfs/dbraw/zinc/30/17/77/294301777.db2.gz DJSNOSSCDZNBJG-JSGCOSHPSA-N 1 0 312.251 3.396 10 0 DGAERO C[C@@H]([NH2+]CCc1ccccc1Br)[C@@H]1CCCOC1 ZINC000507505044 294302062 /nfs/dbraw/zinc/30/20/62/294302062.db2.gz DJSNOSSCDZNBJG-TZMCWYRMSA-N 1 0 312.251 3.396 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2cccc(CC(C)C)c2)C1 ZINC000507730451 294308872 /nfs/dbraw/zinc/30/88/72/294308872.db2.gz DUJSOBCZESCQKA-SJLPKXTDSA-N 1 0 316.489 3.447 10 0 DGAERO Cc1ccccc1C1CC(N(C(=O)[C@@H]([NH3+])C(C)C)C2CC2)C1 ZINC000457373360 434130902 /nfs/dbraw/zinc/13/09/02/434130902.db2.gz KLCNEKDYJPAKGL-PVARCSIZSA-N 1 0 300.446 3.215 10 0 DGAERO COC[C@@H]([NH2+]Cc1ccc2c(c1)OC(F)(F)O2)c1ccccc1 ZINC000508981533 294337583 /nfs/dbraw/zinc/33/75/83/294337583.db2.gz ZTBWXKCWIIDEFZ-CQSZACIVSA-N 1 0 321.323 3.485 10 0 DGAERO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510701319 294389911 /nfs/dbraw/zinc/38/99/11/294389911.db2.gz HJHCUEIRAHIQQN-IAGOWNOFSA-N 1 0 302.418 3.192 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4ccccc4OC3)C2)cc1 ZINC000511053128 294399984 /nfs/dbraw/zinc/39/99/84/294399984.db2.gz WTFFSWMKHZVQQP-UXHICEINSA-N 1 0 322.452 3.244 10 0 DGAERO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000357775575 434174189 /nfs/dbraw/zinc/17/41/89/434174189.db2.gz BNZXWUTYOQGYQM-INIZCTEOSA-N 1 0 300.446 3.348 10 0 DGAERO Cc1c(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)oc2ccccc12 ZINC000357775533 434174221 /nfs/dbraw/zinc/17/42/21/434174221.db2.gz BEQZMTFDNPKHQL-CYBMUJFWSA-N 1 0 317.433 3.269 10 0 DGAERO c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000378419822 434176895 /nfs/dbraw/zinc/17/68/95/434176895.db2.gz FZHYXQMUTSDWRX-VQIMIIECSA-N 1 0 313.397 3.374 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)Cc2ccc(Cl)cc2)C1 ZINC000457450535 434179172 /nfs/dbraw/zinc/17/91/72/434179172.db2.gz HPMNHOTUVAJIGX-HNNXBMFYSA-N 1 0 322.880 3.367 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)c2)cn1 ZINC000346186542 434185145 /nfs/dbraw/zinc/18/51/45/434185145.db2.gz ZCFVDDPMYSVTIB-CABCVRRESA-N 1 0 317.458 3.182 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCN1CCOCC1(C)C ZINC000513517316 294476092 /nfs/dbraw/zinc/47/60/92/294476092.db2.gz HPWWUCCEXZIXAU-NTCAYCPXSA-N 1 0 322.880 3.444 10 0 DGAERO c1c(CN(C2CC2)[C@@H]2CCc3ccccc32)nnn1CC1CC1 ZINC000450519541 434240331 /nfs/dbraw/zinc/24/03/31/434240331.db2.gz MVGUMIFNQPEUDO-LJQANCHMSA-N 1 0 308.429 3.340 10 0 DGAERO CC(C)Cn1cc(C[NH+]2CCC(C3CCOCC3)CC2)cn1 ZINC000378629985 434240711 /nfs/dbraw/zinc/24/07/11/434240711.db2.gz FXCONBBOIKONCT-UHFFFAOYSA-N 1 0 305.466 3.178 10 0 DGAERO C[C@H](F)CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000515054774 294536169 /nfs/dbraw/zinc/53/61/69/294536169.db2.gz HSGHHWGMJLAXHX-ONGXEEELSA-N 1 0 310.196 3.071 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000437361860 434255062 /nfs/dbraw/zinc/25/50/62/434255062.db2.gz BTMADDZSCABIKX-ARFHVFGLSA-N 1 0 306.837 3.187 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000437384062 434259641 /nfs/dbraw/zinc/25/96/41/434259641.db2.gz KBSZOSFIHUKSHW-MAZHCROVSA-N 1 0 324.827 3.326 10 0 DGAERO c1csc(CCC[NH2+]C2CC(OCc3ccccc3)C2)n1 ZINC000353608292 434268901 /nfs/dbraw/zinc/26/89/01/434268901.db2.gz INPIZGLUEYIVBF-UHFFFAOYSA-N 1 0 302.443 3.413 10 0 DGAERO C[C@@H]([NH3+])[C@@H](C)Nc1ncc(Br)c2ccsc21 ZINC000381647068 434269766 /nfs/dbraw/zinc/26/97/66/434269766.db2.gz XYQBPOZXEOPOQD-RNFRBKRXSA-N 1 0 300.225 3.206 10 0 DGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000286284503 434222633 /nfs/dbraw/zinc/22/26/33/434222633.db2.gz BVNDCLOWNDKOIX-YUMQZZPRSA-N 1 0 322.215 3.026 10 0 DGAERO C[NH+](C)CCCCNC(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC000457553797 434236146 /nfs/dbraw/zinc/23/61/46/434236146.db2.gz JPQNIKNGEYLZEK-UHFFFAOYSA-N 1 0 310.869 3.367 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000382649994 434280102 /nfs/dbraw/zinc/28/01/02/434280102.db2.gz XJDZWKVGUBHWFV-RLLQIKCJSA-N 1 0 316.489 3.134 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000384297445 434292250 /nfs/dbraw/zinc/29/22/50/434292250.db2.gz XSYOMUXXKUKOPM-JQWIXIFHSA-N 1 0 315.244 3.340 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Br)[C@@H](C)O1 ZINC000384736287 434294607 /nfs/dbraw/zinc/29/46/07/434294607.db2.gz KQBNOEUQWJXMQD-JRKPZEMJSA-N 1 0 302.187 3.244 10 0 DGAERO c1ccc(OC2CC2)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000450622073 434297829 /nfs/dbraw/zinc/29/78/29/434297829.db2.gz NNKADRHFZNVHHF-MRXNPFEDSA-N 1 0 301.430 3.476 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000385549707 434300164 /nfs/dbraw/zinc/30/01/64/434300164.db2.gz PKRGSPTVGGPHSP-NILFDRSVSA-N 1 0 310.235 3.187 10 0 DGAERO c1ccc(OC2CCC2)c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358042106 434302318 /nfs/dbraw/zinc/30/23/18/434302318.db2.gz FBLXPYVCSMVUGG-SJORKVTESA-N 1 0 300.446 3.334 10 0 DGAERO C(=C\c1ccccc1)\CC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000450625103 434302420 /nfs/dbraw/zinc/30/24/20/434302420.db2.gz CJCLEFJQFFTQHM-WTKPLQERSA-N 1 0 307.441 3.303 10 0 DGAERO C[C@@H](CCC(C)(C)C)[NH2+]Cc1c(Br)cnn1C ZINC000386327613 434306726 /nfs/dbraw/zinc/30/67/26/434306726.db2.gz ZNFICYAFZCBKOE-JTQLQIEISA-N 1 0 302.260 3.487 10 0 DGAERO Cc1c(Cl)c(C[N@H+]2CC[C@@H](CO)[C@@H]2C)nc2ccccc12 ZINC000386320843 434307046 /nfs/dbraw/zinc/30/70/46/434307046.db2.gz UEZRMPFFKPZJKT-STQMWFEESA-N 1 0 304.821 3.399 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(F)ccc1Br ZINC000386293962 434307797 /nfs/dbraw/zinc/30/77/97/434307797.db2.gz QCAHUUXYRPNVRV-QMTHXVAHSA-N 1 0 316.214 3.181 10 0 DGAERO CC[C@H](O)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000358169476 434361682 /nfs/dbraw/zinc/36/16/82/434361682.db2.gz PEUOMEZDPMTQGE-YTQUADARSA-N 1 0 304.478 3.038 10 0 DGAERO Cc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3C[C@@H](C)O)n2)cc1 ZINC000392065417 434385896 /nfs/dbraw/zinc/38/58/96/434385896.db2.gz WAGGBBWEJKTGAK-ZBFHGGJFSA-N 1 0 315.417 3.170 10 0 DGAERO c1ccc(OCCCC[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000437797920 434339095 /nfs/dbraw/zinc/33/90/95/434339095.db2.gz KCGKQIYEQUSWQR-UHFFFAOYSA-N 1 0 311.429 3.345 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)[C@@H](C)O1 ZINC000295389206 434339425 /nfs/dbraw/zinc/33/94/25/434339425.db2.gz LBUHMYHLHNYRTE-SGFSRKTBSA-N 1 0 302.462 3.053 10 0 DGAERO CN(Cc1ccsc1Br)CC1(O)CCCC1 ZINC000388907048 434342046 /nfs/dbraw/zinc/34/20/46/434342046.db2.gz YSJKCYMCAYHJKP-UHFFFAOYSA-N 1 0 304.253 3.248 10 0 DGAERO CCN1CC[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000389112503 434342744 /nfs/dbraw/zinc/34/27/44/434342744.db2.gz AQFVBHIYSVAJFR-OGVSOVDVSA-N 1 0 323.278 3.379 10 0 DGAERO c1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)n(-c2ccccc2)n1 ZINC000366154908 434342977 /nfs/dbraw/zinc/34/29/77/434342977.db2.gz DXANMMOFFCEBOL-KRWDZBQOSA-N 1 0 311.429 3.121 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]CC1=CCOCC1 ZINC000397892348 434443702 /nfs/dbraw/zinc/44/37/02/434443702.db2.gz SRWBDUNOPPQPIK-HNNXBMFYSA-N 1 0 308.219 3.373 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)[C@@H](C)O1 ZINC000398088856 434448915 /nfs/dbraw/zinc/44/89/15/434448915.db2.gz WIXYADJBPXXTTP-FPAYPSAMSA-N 1 0 302.462 3.197 10 0 DGAERO c1ccc(OC2CC2)c(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000295948155 434447369 /nfs/dbraw/zinc/44/73/69/434447369.db2.gz IJYIKRAAMZSSKA-LJQANCHMSA-N 1 0 324.424 3.414 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000393910638 434398576 /nfs/dbraw/zinc/39/85/76/434398576.db2.gz BKBLWIQBYWDXGK-RNIPGJKVSA-N 1 0 302.462 3.197 10 0 DGAERO CN(CCC[NH+]1CCCC1)c1ncnc2c3ccccc3oc21 ZINC000358658494 434403190 /nfs/dbraw/zinc/40/31/90/434403190.db2.gz DRUOAMVZCSLSST-UHFFFAOYSA-N 1 0 310.401 3.298 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cs1 ZINC000438105253 434406281 /nfs/dbraw/zinc/40/62/81/434406281.db2.gz ZQHYCXHDRDNLFP-DOMZBBRYSA-N 1 0 303.431 3.139 10 0 DGAERO OCC[C@H]1CSCC[N@@H+]1CCCCCOc1ccccc1 ZINC000438104483 434407817 /nfs/dbraw/zinc/40/78/17/434407817.db2.gz LICYPYGGFAYYQH-INIZCTEOSA-N 1 0 309.475 3.036 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(F)cc1Br ZINC000395175239 434413527 /nfs/dbraw/zinc/41/35/27/434413527.db2.gz IWUHJOVEPHWUGH-SMDDNHRTSA-N 1 0 316.214 3.181 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1sccc1Br ZINC000395156909 434413568 /nfs/dbraw/zinc/41/35/68/434413568.db2.gz GMQSHDZGIYNDST-ONGXEEELSA-N 1 0 304.253 3.103 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1csc(Br)c1 ZINC000395192318 434415414 /nfs/dbraw/zinc/41/54/14/434415414.db2.gz IYMAOFKESAANLW-MNOVXSKESA-N 1 0 304.253 3.103 10 0 DGAERO CC(C)n1nccc1C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C ZINC000397167646 434431820 /nfs/dbraw/zinc/43/18/20/434431820.db2.gz SMUJMLXEJXYCGR-UHFFFAOYSA-N 1 0 324.469 3.247 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1cccc(Br)c1F ZINC000398546398 434461882 /nfs/dbraw/zinc/46/18/82/434461882.db2.gz DNMYOFSULPEGAD-ZDUSSCGKSA-N 1 0 304.203 3.085 10 0 DGAERO Cc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398769954 434465944 /nfs/dbraw/zinc/46/59/44/434465944.db2.gz GNNFBIRKGTWZDO-JGGQBBKZSA-N 1 0 324.262 3.350 10 0 DGAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000398997699 434468171 /nfs/dbraw/zinc/46/81/71/434468171.db2.gz ADNOQYOKOTXFNK-SDBXPKJASA-N 1 0 301.217 3.298 10 0 DGAERO CC[C@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)C[C@H]1O ZINC000400071602 434482535 /nfs/dbraw/zinc/48/25/35/434482535.db2.gz HMDPKQFCXBIXHS-GXFFZTMASA-N 1 0 304.217 3.075 10 0 DGAERO C[C@H]([NH2+][C@H]1CSC1(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400361010 434487314 /nfs/dbraw/zinc/48/73/14/434487314.db2.gz QBIYJXXQHVWNAG-XQQFMLRXSA-N 1 0 314.495 3.116 10 0 DGAERO c1ccc2nc(C[N@H+]3CC[C@@H](OCc4ccncc4)C3)ccc2c1 ZINC000287956754 434487638 /nfs/dbraw/zinc/48/76/38/434487638.db2.gz YLXIEZQXGCWZNR-LJQANCHMSA-N 1 0 319.408 3.421 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438473525 434487766 /nfs/dbraw/zinc/48/77/66/434487766.db2.gz DXYMJMNPKSMTTK-BFHYXJOUSA-N 1 0 320.399 3.346 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000400642160 434490899 /nfs/dbraw/zinc/49/08/99/434490899.db2.gz PVIJTUIDXBTHIC-RBUKOAKNSA-N 1 0 302.462 3.057 10 0 DGAERO COc1ccc(C[N@H+](CC[C@@H](C)O)[C@@H](C)C2CC2)c(OC)c1 ZINC000450932800 434492069 /nfs/dbraw/zinc/49/20/69/434492069.db2.gz CQAFCFSLVXDZPN-KGLIPLIRSA-N 1 0 307.434 3.075 10 0 DGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000401668901 434498637 /nfs/dbraw/zinc/49/86/37/434498637.db2.gz PZEXRYWLMSIQMN-CYBMUJFWSA-N 1 0 313.228 3.398 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)CO1 ZINC000402014450 434499541 /nfs/dbraw/zinc/49/95/41/434499541.db2.gz TUVUHFGHFCGOSU-IRUJWGPZSA-N 1 0 312.207 3.040 10 0 DGAERO c1ccc(CC[C@H]2C[N@H+](CC[C@@H]3CCCCO3)CCO2)cc1 ZINC000348803584 434500785 /nfs/dbraw/zinc/50/07/85/434500785.db2.gz BWPFENRRCKICKS-OALUTQOASA-N 1 0 303.446 3.279 10 0 DGAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000423640445 434503587 /nfs/dbraw/zinc/50/35/87/434503587.db2.gz KEICUUVSNKONME-RISCZKNCSA-N 1 0 312.866 3.160 10 0 DGAERO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000398015080 434450176 /nfs/dbraw/zinc/45/01/76/434450176.db2.gz FYFQHVJZKTXLBD-MSOLQXFVSA-N 1 0 306.494 3.140 10 0 DGAERO Cc1ccsc1-c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329660814 434451439 /nfs/dbraw/zinc/45/14/39/434451439.db2.gz IJMOQVMVAXMWLF-ABAIWWIYSA-N 1 0 305.403 3.032 10 0 DGAERO COCCC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398016989 434452111 /nfs/dbraw/zinc/45/21/11/434452111.db2.gz RIRBAOHTVLWUIV-CQSZACIVSA-N 1 0 314.470 3.038 10 0 DGAERO COc1cccc2c1CC[N@H+](Cc1cccc(C(C)=O)c1)CC2 ZINC000450877451 434453065 /nfs/dbraw/zinc/45/30/65/434453065.db2.gz QQQOAXJERGUYIU-UHFFFAOYSA-N 1 0 309.409 3.499 10 0 DGAERO c1c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]3CCC[C@H]32)nnn1CC1CC1 ZINC000450979118 434514123 /nfs/dbraw/zinc/51/41/23/434514123.db2.gz HMGWGXYQIGDNBB-HSALFYBXSA-N 1 0 322.456 3.456 10 0 DGAERO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000458185146 434515080 /nfs/dbraw/zinc/51/50/80/434515080.db2.gz GNTBLMLUGVVXFO-OAHLLOKOSA-N 1 0 312.413 3.408 10 0 DGAERO COC[C@H](C)[C@@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000360134493 434530797 /nfs/dbraw/zinc/53/07/97/434530797.db2.gz GOLWIBHSWJWSCE-KSZLIROESA-N 1 0 324.509 3.020 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCCC2CC2)C1 ZINC000524564029 294979235 /nfs/dbraw/zinc/97/92/35/294979235.db2.gz VIFLMYLOSPWQRD-HOTGVXAUSA-N 1 0 309.498 3.234 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1Cl ZINC000408206616 434551829 /nfs/dbraw/zinc/55/18/29/434551829.db2.gz BWGCBLSOUCMKKK-WDEREUQCSA-N 1 0 323.824 3.099 10 0 DGAERO CC[C@]1(C)Oc2ccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2O1 ZINC000408226631 434554109 /nfs/dbraw/zinc/55/41/09/434554109.db2.gz RIOQREAWGHMFNB-ZJNRKIDTSA-N 1 0 318.417 3.253 10 0 DGAERO COc1cc(OC)c(C[C@@H](C)[NH2+][C@@H](C)C2CCC2)c(OC)c1 ZINC000449466598 295005778 /nfs/dbraw/zinc/00/57/78/295005778.db2.gz HUBRJGHKNZWELB-OLZOCXBDSA-N 1 0 307.434 3.422 10 0 DGAERO CC1(C)C[N@H+](Cc2ccnc3ccccc23)C[C@]2(CCOC2)O1 ZINC000526994639 295069016 /nfs/dbraw/zinc/06/90/16/295069016.db2.gz SIPDQGBMDGGOFN-IBGZPJMESA-N 1 0 312.413 3.005 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@H]1CCOC1 ZINC000527664177 295111976 /nfs/dbraw/zinc/11/19/76/295111976.db2.gz BSQJJZIDBIRXCD-SCZZXKLOSA-N 1 0 320.177 3.242 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)CCO1 ZINC000527688660 295115803 /nfs/dbraw/zinc/11/58/03/295115803.db2.gz RVBKRHJOASFNNV-SCZZXKLOSA-N 1 0 320.177 3.384 10 0 DGAERO C[C@@H]1C[C@H](C[NH2+]Cc2ccsc2Br)[C@@H](C)O1 ZINC000527720647 295120757 /nfs/dbraw/zinc/12/07/57/295120757.db2.gz OZJNAOKJFSOZIV-FXPVBKGRSA-N 1 0 304.253 3.414 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527735701 295122878 /nfs/dbraw/zinc/12/28/78/295122878.db2.gz CBBNPSLLOUACKO-CYBMUJFWSA-N 1 0 303.431 3.111 10 0 DGAERO c1cc2c(cc1C[NH2+]CC[C@H]1CCCOC1)OCCCCO2 ZINC000527739145 295123253 /nfs/dbraw/zinc/12/32/53/295123253.db2.gz NYSYFBKMPBKDRV-OAHLLOKOSA-N 1 0 305.418 3.144 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)n(-c2ccccc2)n1 ZINC000527751377 295125474 /nfs/dbraw/zinc/12/54/74/295125474.db2.gz HACAFBZPUVRXED-IBGZPJMESA-N 1 0 324.472 3.369 10 0 DGAERO COc1ccc(C[N@H+](Cc2ccco2)CC(C)(C)O)cc1OC ZINC000036115432 295127849 /nfs/dbraw/zinc/12/78/49/295127849.db2.gz LYZOQTVQKGPSAU-UHFFFAOYSA-N 1 0 319.401 3.070 10 0 DGAERO c1cn(-c2ccc(C[NH2+][C@@H](c3ccccn3)C3CCC3)cn2)cn1 ZINC000527770243 295128063 /nfs/dbraw/zinc/12/80/63/295128063.db2.gz DNZWJZZJTKJAGX-LJQANCHMSA-N 1 0 319.412 3.293 10 0 DGAERO c1cn(-c2csc(C[NH2+]C[C@H]3CCN3C3CCCC3)c2)cn1 ZINC000527806946 295134133 /nfs/dbraw/zinc/13/41/33/295134133.db2.gz GOZWWODQBQOZTR-OAHLLOKOSA-N 1 0 316.474 3.040 10 0 DGAERO C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@@H]1CCN1C1CCCC1 ZINC000527812613 295135272 /nfs/dbraw/zinc/13/52/72/295135272.db2.gz VKYBKHRMUSTLTR-DFEOGRTESA-N 1 0 306.494 3.188 10 0 DGAERO Brc1ccc(-c2ccc(C[NH2+]CC3COC3)o2)cc1 ZINC000527818880 295135949 /nfs/dbraw/zinc/13/59/49/295135949.db2.gz NOESBLSHAJSMTG-UHFFFAOYSA-N 1 0 322.202 3.445 10 0 DGAERO C([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCN1C1CCCC1 ZINC000528015886 295167378 /nfs/dbraw/zinc/16/73/78/295167378.db2.gz ZNLNOHMSLYJFQV-SFHVURJKSA-N 1 0 306.494 3.332 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000354096004 434617867 /nfs/dbraw/zinc/61/78/67/434617867.db2.gz GLHSEUMSXHWRFT-LSDHHAIUSA-N 1 0 315.442 3.064 10 0 DGAERO CC[NH+](CC)C[C@H](C)NC(=O)NCc1oc2ccccc2c1C ZINC000360783534 434693329 /nfs/dbraw/zinc/69/33/29/434693329.db2.gz XOFLNOPDVIYXOP-ZDUSSCGKSA-N 1 0 317.433 3.271 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CCOC1CCCC1 ZINC000440329609 434693625 /nfs/dbraw/zinc/69/36/25/434693625.db2.gz RWLSXNIALBMGAS-UHFFFAOYSA-N 1 0 303.431 3.254 10 0 DGAERO Brc1cc(C[NH2+][C@H]2CC23CC3)cc2c1OCCCO2 ZINC000424181547 434648395 /nfs/dbraw/zinc/64/83/95/434648395.db2.gz CEGGPXKEBIEDFE-ZDUSSCGKSA-N 1 0 324.218 3.253 10 0 DGAERO Cc1ncc(C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)o1 ZINC000459674749 434660718 /nfs/dbraw/zinc/66/07/18/434660718.db2.gz LDOHMCONAPMWKC-SJORKVTESA-N 1 0 300.402 3.457 10 0 DGAERO O[C@@H](CC[NH2+]Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000349293940 434663783 /nfs/dbraw/zinc/66/37/83/434663783.db2.gz HEJVMULQZTWFNN-JTQLQIEISA-N 1 0 302.123 3.396 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]3CCOC3)C1)O2 ZINC000360964708 434747908 /nfs/dbraw/zinc/74/79/08/434747908.db2.gz XBTAKWUWJOQRME-HZMVEIRTSA-N 1 0 317.429 3.011 10 0 DGAERO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000459758143 434701826 /nfs/dbraw/zinc/70/18/26/434701826.db2.gz QRCMMXSEDQRKJL-HNNXBMFYSA-N 1 0 324.403 3.469 10 0 DGAERO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000459758147 434702259 /nfs/dbraw/zinc/70/22/59/434702259.db2.gz QRCMMXSEDQRKJL-OAHLLOKOSA-N 1 0 324.403 3.469 10 0 DGAERO CC[C@@H]1OCC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000459782290 434720120 /nfs/dbraw/zinc/72/01/20/434720120.db2.gz TZNSOWGIAKGGIO-OLZOCXBDSA-N 1 0 302.187 3.245 10 0 DGAERO COC(=O)CC1(C[N@H+]2CC=C(c3cccc(OC)c3)CC2)CC1 ZINC000440698732 434734438 /nfs/dbraw/zinc/73/44/38/434734438.db2.gz QPZZQQYPTVVFLG-UHFFFAOYSA-N 1 0 315.413 3.128 10 0 DGAERO CCC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)C1CCC1 ZINC000453065650 434789353 /nfs/dbraw/zinc/78/93/53/434789353.db2.gz UMJNONAOVVBIGS-QGZVFWFLSA-N 1 0 309.475 3.290 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453104484 434802335 /nfs/dbraw/zinc/80/23/35/434802335.db2.gz UENOBBSDHPLOOV-ZRNYENFQSA-N 1 0 314.473 3.198 10 0 DGAERO c1cc(CN2CCO[C@H](C3CC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000411566160 434804310 /nfs/dbraw/zinc/80/43/10/434804310.db2.gz WJYXSUQMLRXLNJ-FQEVSTJZSA-N 1 0 314.473 3.283 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@H](C)Sc2ccccc2)CCOCC1 ZINC000453121807 434806687 /nfs/dbraw/zinc/80/66/87/434806687.db2.gz PIYVXNWBSSDKHX-GJZGRUSLSA-N 1 0 309.475 3.341 10 0 DGAERO COC1([C@H](C)[NH2+]CCOc2ccccc2C(C)C)CCOCC1 ZINC000453144339 434815484 /nfs/dbraw/zinc/81/54/84/434815484.db2.gz NGKVGTSQXNGILJ-INIZCTEOSA-N 1 0 321.461 3.363 10 0 DGAERO COC1([C@@H](C)Nc2cc(C)cc(C[NH+](C)C)c2)CCOCC1 ZINC000453182548 434824388 /nfs/dbraw/zinc/82/43/88/434824388.db2.gz MTHPWNOGLNOHGE-OAHLLOKOSA-N 1 0 306.450 3.053 10 0 DGAERO c1ccc2ncc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)cc2c1 ZINC000372434629 434826113 /nfs/dbraw/zinc/82/61/13/434826113.db2.gz DNSKVNPDPLSXIL-KRWDZBQOSA-N 1 0 304.397 3.404 10 0 DGAERO COC(=O)c1cc(C[N@@H+]2CCC3(C2)CCCCC3)n(C)c1C ZINC000361192293 434827531 /nfs/dbraw/zinc/82/75/31/434827531.db2.gz WNMSOKQYURNTQF-UHFFFAOYSA-N 1 0 304.434 3.276 10 0 DGAERO CCCNc1ccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)cc1 ZINC000453216106 434831679 /nfs/dbraw/zinc/83/16/79/434831679.db2.gz QQQIENLEXWNIFL-HNNXBMFYSA-N 1 0 306.450 3.182 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@@H](c2ccccc2)C2CC2)CCOCC1 ZINC000453229665 434834717 /nfs/dbraw/zinc/83/47/17/434834717.db2.gz DYCUUADAWUCBCR-YJBOKZPZSA-N 1 0 303.446 3.354 10 0 DGAERO COc1cccc(C2=CC[N@H+](C[C@@H](O)CC(F)(F)F)CC2)c1 ZINC000372740619 434850849 /nfs/dbraw/zinc/85/08/49/434850849.db2.gz MNZNDILNOQMHAX-AWEZNQCLSA-N 1 0 315.335 3.098 10 0 DGAERO c1c(C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)nnn1CC1CC1 ZINC000411992578 434852155 /nfs/dbraw/zinc/85/21/55/434852155.db2.gz VKSAIBIVVOVNFJ-LJQANCHMSA-N 1 0 322.456 3.458 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@H](O)CC2CCCC2)c2ccccc21 ZINC000573111240 434875885 /nfs/dbraw/zinc/87/58/85/434875885.db2.gz OQNFXLSEHCRSND-AEFFLSMTSA-N 1 0 316.445 3.015 10 0 DGAERO CCc1nc(C)cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000553366472 434889245 /nfs/dbraw/zinc/88/92/45/434889245.db2.gz QUIZIWYGOIERQZ-QGZVFWFLSA-N 1 0 316.493 3.440 10 0 DGAERO CC(C)c1ccc(/C=C/CC(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000492111704 434917080 /nfs/dbraw/zinc/91/70/80/434917080.db2.gz VQGWAKTYQURKMS-LAQIPUCWSA-N 1 0 300.446 3.281 10 0 DGAERO C=Cn1cc(C[NH2+][C@@H](Cn2ccnc2)c2ccc(C)cc2C)cn1 ZINC000573068875 434871270 /nfs/dbraw/zinc/87/12/70/434871270.db2.gz HMYGNMYDQSVJPN-IBGZPJMESA-N 1 0 321.428 3.328 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000552891648 434873925 /nfs/dbraw/zinc/87/39/25/434873925.db2.gz GCFCCKYICACCMI-WMLDXEAASA-N 1 0 324.896 3.426 10 0 DGAERO CCC1(C)C[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000461252157 434875240 /nfs/dbraw/zinc/87/52/40/434875240.db2.gz VREOPWXHAQJPDB-CYBMUJFWSA-N 1 0 301.352 3.341 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000523533821 434953908 /nfs/dbraw/zinc/95/39/08/434953908.db2.gz QPDPRMAADQPOPE-QGZVFWFLSA-N 1 0 317.477 3.339 10 0 DGAERO CCCCc1noc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 ZINC000555415420 434972935 /nfs/dbraw/zinc/97/29/35/434972935.db2.gz USGRSYSUZKCWCI-SJXGUFTOSA-N 1 0 319.449 3.411 10 0 DGAERO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462787534 434927691 /nfs/dbraw/zinc/92/76/91/434927691.db2.gz KWUOIGQTDXZHKE-BBRMVZONSA-N 1 0 307.434 3.139 10 0 DGAERO CCC[C@@](C)(CO)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462789961 434929672 /nfs/dbraw/zinc/92/96/72/434929672.db2.gz HSDZRLJAYKCRKJ-SFHVURJKSA-N 1 0 307.434 3.283 10 0 DGAERO COC(=O)c1ccc(CN2CCC2(C)C)c(Br)c1 ZINC000556599622 435013312 /nfs/dbraw/zinc/01/33/12/435013312.db2.gz ZRHOVOMBZGSVTO-UHFFFAOYSA-N 1 0 312.207 3.220 10 0 DGAERO [NH3+][C@H](CF)c1cc(Br)cc(OC(F)(F)F)c1 ZINC000575188616 435006734 /nfs/dbraw/zinc/00/67/34/435006734.db2.gz GSDMTSGLWKJBRL-MRVPVSSYSA-N 1 0 302.065 3.317 10 0 DGAERO C[C@H](CCNC(=O)NCCCC1CC1)[N@H+](C)Cc1ccccc1 ZINC000531078081 435069576 /nfs/dbraw/zinc/06/95/76/435069576.db2.gz GLRIUDPBGUUUTJ-MRXNPFEDSA-N 1 0 317.477 3.386 10 0 DGAERO C[C@H](CCC1CCCC1)[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000556919723 435038730 /nfs/dbraw/zinc/03/87/30/435038730.db2.gz BVJKLNJVZKXFGE-UKRRQHHQSA-N 1 0 322.415 3.198 10 0 DGAERO CC[N@H+](CCNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1)C(C)C ZINC000465831941 435046679 /nfs/dbraw/zinc/04/66/79/435046679.db2.gz KHGMFBJBVZTSIZ-JKSUJKDBSA-N 1 0 321.465 3.493 10 0 DGAERO C[C@H](Cc1ccsc1)[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000557276003 435049809 /nfs/dbraw/zinc/04/98/09/435049809.db2.gz AECWZDJKOUTLDG-UKRRQHHQSA-N 1 0 303.427 3.499 10 0 DGAERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncnc2c3ccccc3oc21 ZINC000531559422 435101325 /nfs/dbraw/zinc/10/13/25/435101325.db2.gz OWAUJGDILKOHHO-SMDDNHRTSA-N 1 0 308.385 3.271 10 0 DGAERO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000467357210 435118510 /nfs/dbraw/zinc/11/85/10/435118510.db2.gz HLXCMZHSUFMIST-RWMBFGLXSA-N 1 0 312.841 3.379 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000468127689 435127066 /nfs/dbraw/zinc/12/70/66/435127066.db2.gz VBDFRTAXCGATES-UYVKZUBASA-N 1 0 306.494 3.295 10 0 DGAERO Cc1ccc(-c2noc(CN3CCOC4(CCCC4)C3)n2)cc1 ZINC000531988827 435131749 /nfs/dbraw/zinc/13/17/49/435131749.db2.gz ZCOLDXJFRMTEKY-UHFFFAOYSA-N 1 0 313.401 3.190 10 0 DGAERO Cn1cnnc1CN(Cc1cccs1)C1Cc2ccccc2C1 ZINC000579099775 435131717 /nfs/dbraw/zinc/13/17/17/435131717.db2.gz JWFXOGFNDHPYMZ-UHFFFAOYSA-N 1 0 324.453 3.046 10 0 DGAERO c1cc(C2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)n[nH]1 ZINC000532944982 435199822 /nfs/dbraw/zinc/19/98/22/435199822.db2.gz SCFWYWSEGPPNHA-UHFFFAOYSA-N 1 0 319.412 3.246 10 0 DGAERO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000532584557 435179613 /nfs/dbraw/zinc/17/96/13/435179613.db2.gz RBSHLOOQTUDAPZ-UKRRQHHQSA-N 1 0 318.417 3.254 10 0 DGAERO c1cnc2nc([C@H]3CC[N@@H+](CCc4ccncc4)C3)ccc2c1 ZINC000583650802 435243392 /nfs/dbraw/zinc/24/33/92/435243392.db2.gz BJHKVFWSIMFBIW-KRWDZBQOSA-N 1 0 304.397 3.057 10 0 DGAERO Clc1ccc(OCc2noc([C@H]3CC[NH2+]C3)n2)c(Cl)c1 ZINC000583623206 435243486 /nfs/dbraw/zinc/24/34/86/435243486.db2.gz VHPUOOHAVNSVCC-QMMMGPOBSA-N 1 0 314.172 3.032 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000583869807 435252762 /nfs/dbraw/zinc/25/27/62/435252762.db2.gz JHMRHVRMLNUQDI-QGZVFWFLSA-N 1 0 307.459 3.054 10 0 DGAERO C[C@@H](O)C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000584150850 435279346 /nfs/dbraw/zinc/27/93/46/435279346.db2.gz PBOMYVGAPBYYAC-CQSZACIVSA-N 1 0 311.385 3.053 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccnc(-c3ccccc3)c2)C1 ZINC000534325913 435280918 /nfs/dbraw/zinc/28/09/18/435280918.db2.gz TUDQAQFXBZXKSM-OAHLLOKOSA-N 1 0 324.428 3.212 10 0 DGAERO CC[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)C1(C(=O)OC)CCC1 ZINC000477850796 435281191 /nfs/dbraw/zinc/28/11/91/435281191.db2.gz DAESYNZPQMZFGK-NVXWUHKLSA-N 1 0 311.466 3.029 10 0 DGAERO C[N@H+](CCOc1c(Cl)cccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000534381248 435285230 /nfs/dbraw/zinc/28/52/30/435285230.db2.gz RAXXBGPNNPUFFH-FZMZJTMJSA-N 1 0 318.244 3.465 10 0 DGAERO COc1ccc(Nc2nnc(SC[C@H](C)[NH+](C)C)s2)cc1 ZINC000479225710 435324591 /nfs/dbraw/zinc/32/45/91/435324591.db2.gz PHZVRCNXOYHNEV-JTQLQIEISA-N 1 0 324.475 3.333 10 0 DGAERO Cc1ccccc1CC(=O)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000512487327 435361033 /nfs/dbraw/zinc/36/10/33/435361033.db2.gz TWARSZQNXZZAFY-GOSISDBHSA-N 1 0 312.457 3.038 10 0 DGAERO C[C@H]([NH2+]CCCC1CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000536865197 435416128 /nfs/dbraw/zinc/41/61/28/435416128.db2.gz VSFIVOXEZVDLBR-AWEZNQCLSA-N 1 0 322.474 3.067 10 0 DGAERO C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cc2c(s1)CCC2 ZINC000480690338 435389983 /nfs/dbraw/zinc/38/99/83/435389983.db2.gz RPMPCPVTBDROGD-XJKSGUPXSA-N 1 0 301.455 3.491 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000513527933 435393022 /nfs/dbraw/zinc/39/30/22/435393022.db2.gz VXWVAQFDELCEIE-RBFDBLARSA-N 1 0 322.880 3.301 10 0 DGAERO C[N@H+](Cc1ccccc1OCc1cccnc1)C1CCOCC1 ZINC000536649976 435398102 /nfs/dbraw/zinc/39/81/02/435398102.db2.gz HUJHANLXJDODAY-UHFFFAOYSA-N 1 0 312.413 3.271 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(Cl)cc(Cl)c1 ZINC000482073013 435452011 /nfs/dbraw/zinc/45/20/11/435452011.db2.gz FFPNBSLDDSQNMO-ZETCQYMHSA-N 1 0 311.159 3.025 10 0 DGAERO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2C[C@@H](C)CC2(C)C)cc1 ZINC000537624023 435456522 /nfs/dbraw/zinc/45/65/22/435456522.db2.gz GJZKVLFTDRWRNT-UONOGXRCSA-N 1 0 305.418 3.247 10 0 DGAERO c1nc(CCc2ccccc2)sc1CNCCC[NH+]1CCC1 ZINC000515071320 435460999 /nfs/dbraw/zinc/46/09/99/435460999.db2.gz DEHRYUSVALZPPV-UHFFFAOYSA-N 1 0 315.486 3.114 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000537206265 435431254 /nfs/dbraw/zinc/43/12/54/435431254.db2.gz DVYJRIKXRBDBNC-SJLPKXTDSA-N 1 0 302.462 3.246 10 0 DGAERO CCCc1ccc(C(=O)CCC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000537215896 435433285 /nfs/dbraw/zinc/43/32/85/435433285.db2.gz HGLKKIRQIYDRTB-UHFFFAOYSA-N 1 0 318.461 3.012 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000481585280 435433419 /nfs/dbraw/zinc/43/34/19/435433419.db2.gz MQOHQRGQKTUUOF-XIRDDKMYSA-N 1 0 304.409 3.062 10 0 DGAERO Cc1cccnc1C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000538966221 435531908 /nfs/dbraw/zinc/53/19/08/435531908.db2.gz WOICMVCTALUSNK-OAHLLOKOSA-N 1 0 304.434 3.334 10 0 DGAERO c1cn(-c2csc(CN3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000515383894 435481979 /nfs/dbraw/zinc/48/19/79/435481979.db2.gz XJMSOYFBSMREOK-SJORKVTESA-N 1 0 316.474 3.040 10 0 DGAERO COc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000538267596 435489723 /nfs/dbraw/zinc/48/97/23/435489723.db2.gz LXKRHXQIUIYCEN-MAUKXSAKSA-N 1 0 311.429 3.413 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCCc2ccc(OC)c(OC)c2)C1(C)C ZINC000539499569 435555313 /nfs/dbraw/zinc/55/53/13/435555313.db2.gz HRTHEOVBAZDJSC-ROUUACIJSA-N 1 0 321.461 3.430 10 0 DGAERO C[C@H](CSc1ccccc1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261909419 298874149 /nfs/dbraw/zinc/87/41/49/298874149.db2.gz XKOMQRNBBZCXQR-RBSFLKMASA-N 1 0 306.475 3.001 10 0 DGAERO COCc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)o1 ZINC000539929194 435580777 /nfs/dbraw/zinc/58/07/77/435580777.db2.gz NTLPNXXZWJWZKE-AWEZNQCLSA-N 1 0 323.433 3.370 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C(C)C)C1 ZINC000539216696 435542434 /nfs/dbraw/zinc/54/24/34/435542434.db2.gz GWXHNIBJJNOPEK-CVEARBPZSA-N 1 0 323.868 3.431 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CCSc1ccc(Cl)cc1 ZINC000540515167 435605534 /nfs/dbraw/zinc/60/55/34/435605534.db2.gz ZIBQOZXQKIYSRB-UHFFFAOYSA-N 1 0 314.882 3.232 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000540507128 435605556 /nfs/dbraw/zinc/60/55/56/435605556.db2.gz UBERLMHATFMMGN-VLWCASSMSA-N 1 0 317.408 3.194 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000540515531 435606163 /nfs/dbraw/zinc/60/61/63/435606163.db2.gz IJMRLFIMVVFPCG-UHFFFAOYSA-N 1 0 304.365 3.109 10 0 DGAERO C[C@@H](C[NH2+]Cc1ncc(-c2ccccc2)s1)Cn1cccn1 ZINC000570700001 435644032 /nfs/dbraw/zinc/64/40/32/435644032.db2.gz CSJYENRFDJAGQU-AWEZNQCLSA-N 1 0 312.442 3.433 10 0 DGAERO CN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CC1CC1 ZINC000541074581 435637366 /nfs/dbraw/zinc/63/73/66/435637366.db2.gz QRUBQQKGEKWBLC-UHFFFAOYSA-N 1 0 311.216 3.416 10 0 DGAERO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000549037850 435732624 /nfs/dbraw/zinc/73/26/24/435732624.db2.gz WTSJXMNIFJSYNT-IRXDYDNUSA-N 1 0 311.429 3.473 10 0 DGAERO O=C1NCC[C@H]1[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000179049684 304676251 /nfs/dbraw/zinc/67/62/51/304676251.db2.gz UHGCCGDYVHJYIE-CVEARBPZSA-N 1 0 306.837 3.440 10 0 DGAERO c1nc(C2CC2)c(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)s1 ZINC000551795669 435852409 /nfs/dbraw/zinc/85/24/09/435852409.db2.gz QFHKYPYBWUNUDS-GFCCVEGCSA-N 1 0 316.430 3.270 10 0 DGAERO C/C=C\c1ccc(OCc2nc(C3([NH3+])CCC3)no2)c(OC)c1 ZINC000572761665 435861574 /nfs/dbraw/zinc/86/15/74/435861574.db2.gz AHVYRLHIPQPLQQ-HYXAFXHYSA-N 1 0 315.373 3.028 10 0 DGAERO Clc1cnc(NCCC2CC[NH2+]CC2)c(Br)c1 ZINC000650312073 435885381 /nfs/dbraw/zinc/88/53/81/435885381.db2.gz LGFYEVUFDFKYGN-UHFFFAOYSA-N 1 0 318.646 3.299 10 0 DGAERO c1cc([C@@H]2CCCC[N@H+]2CCN2CCCc3ccccc32)n[nH]1 ZINC000552092287 435880740 /nfs/dbraw/zinc/88/07/40/435880740.db2.gz NDWYQYZSICUFOP-IBGZPJMESA-N 1 0 310.445 3.390 10 0 DGAERO O[C@H](COCc1ccccc1)C[NH+]1CCC(C2CCC2)CC1 ZINC000661376455 436050169 /nfs/dbraw/zinc/05/01/69/436050169.db2.gz KIUNUVNCVDNGBS-IBGZPJMESA-N 1 0 303.446 3.076 10 0 DGAERO Cc1cc(C)c(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC000164197625 301188334 /nfs/dbraw/zinc/18/83/34/301188334.db2.gz VGDCTHRCWDZBQD-JKSUJKDBSA-N 1 0 303.450 3.462 10 0 DGAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1ccc(Cl)c(Cl)c1 ZINC000662663145 436376453 /nfs/dbraw/zinc/37/64/53/436376453.db2.gz FPDFMDCLSRTDGI-LLVKDONJSA-N 1 0 301.217 3.142 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccc(Cl)c1Cl ZINC000658245813 436408966 /nfs/dbraw/zinc/40/89/66/436408966.db2.gz VVWQPJHMZJWOAC-UWVGGRQHSA-N 1 0 301.217 3.122 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000658246395 436409073 /nfs/dbraw/zinc/40/90/73/436409073.db2.gz YXRAOSUGZWWDLN-NXEZZACHSA-N 1 0 301.217 3.122 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1Cl ZINC000658246121 436409606 /nfs/dbraw/zinc/40/96/06/436409606.db2.gz XTFOMJYHITYFMW-UWVGGRQHSA-N 1 0 301.217 3.122 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000659359481 436500096 /nfs/dbraw/zinc/50/00/96/436500096.db2.gz RXYREQQTXQIANQ-MNOVXSKESA-N 1 0 301.217 3.127 10 0 DGAERO Cc1noc(CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)n1 ZINC000089518635 302848085 /nfs/dbraw/zinc/84/80/85/302848085.db2.gz CLWYLEKVTAZYHL-LBPRGKRZSA-N 1 0 309.822 3.401 10 0 DGAERO [NH3+]CCCCCCC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000237969350 303374753 /nfs/dbraw/zinc/37/47/53/303374753.db2.gz JZXZVGHMDKRGIF-GJZGRUSLSA-N 1 0 324.490 3.072 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(c3cnn(C)c3)C1)CCC2 ZINC000166704603 312694557 /nfs/dbraw/zinc/69/45/57/312694557.db2.gz ATWAHYKINTWMFI-PXNSSMCTSA-N 1 0 324.472 3.365 10 0 DGAERO Cc1c(Cl)cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000171082430 312710428 /nfs/dbraw/zinc/71/04/28/312710428.db2.gz BSRUQUGPYXEFJP-LLVKDONJSA-N 1 0 316.232 3.470 10 0 DGAERO C[NH+](C)Cc1cccc(CNC(=O)NC/C=C/c2ccccc2)c1 ZINC000171849788 312732698 /nfs/dbraw/zinc/73/26/98/312732698.db2.gz MIVRZWDIWUAPAO-KPKJPENVSA-N 1 0 323.440 3.261 10 0 DGAERO COCCSCCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000377094698 313016551 /nfs/dbraw/zinc/01/65/51/313016551.db2.gz OWXAJBLUBQCCHD-NVXWUHKLSA-N 1 0 309.475 3.218 10 0 DGAERO Brc1sccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000529531753 313218323 /nfs/dbraw/zinc/21/83/23/313218323.db2.gz QFSQDDCZPUZQKQ-JQWIXIFHSA-N 1 0 316.264 3.369 10 0 DGAERO c1ccc(OC2CCCC2)c(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000530179755 313334802 /nfs/dbraw/zinc/33/48/02/313334802.db2.gz WTDCGHHSOKYCHH-SFHVURJKSA-N 1 0 300.446 3.382 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[NH2+]C12CCC2 ZINC000530216919 313341570 /nfs/dbraw/zinc/34/15/70/313341570.db2.gz DIGJOYDVGKGRKK-LSDHHAIUSA-N 1 0 321.262 3.311 10 0 DGAERO c1ccc([C@H](C[C@@H]2CCOC2)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222793 313342543 /nfs/dbraw/zinc/34/25/43/313342543.db2.gz RQQKYVTUCRAZRX-SZMVWBNQSA-N 1 0 300.446 3.029 10 0 DGAERO c1c(C[NH2+][C@H](c2cccnc2)C2CC2)[nH]nc1-c1cccnc1 ZINC000533920636 313643283 /nfs/dbraw/zinc/64/32/83/313643283.db2.gz GITYYUBHLMLDTK-SFHVURJKSA-N 1 0 305.385 3.108 10 0 DGAERO c1c(C[NH2+][C@@H](c2cccnc2)C2CC2)[nH]nc1-c1cccnc1 ZINC000533920634 313643509 /nfs/dbraw/zinc/64/35/09/313643509.db2.gz GITYYUBHLMLDTK-GOSISDBHSA-N 1 0 305.385 3.108 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](C)C3(CCC3)C2)CC1 ZINC000536412881 313759530 /nfs/dbraw/zinc/75/95/30/313759530.db2.gz AOJHZJKISNFQDO-INIZCTEOSA-N 1 0 321.509 3.330 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000538127916 313848491 /nfs/dbraw/zinc/84/84/91/313848491.db2.gz AXLXYBNGJCFXMS-CYBMUJFWSA-N 1 0 312.369 3.013 10 0 DGAERO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000541314681 314007124 /nfs/dbraw/zinc/00/71/24/314007124.db2.gz JHXIVAZHGWALNK-ZWKOTPCHSA-N 1 0 314.473 3.330 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H]2CC=CCC2)c(C)c1 ZINC000541320242 314007845 /nfs/dbraw/zinc/00/78/45/314007845.db2.gz IFAWIWHCFNFEMH-ROUUACIJSA-N 1 0 303.446 3.331 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000541492273 314018441 /nfs/dbraw/zinc/01/84/41/314018441.db2.gz BKBCMCAOKYHGSW-FUHWJXTLSA-N 1 0 321.509 3.495 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000541606986 314027925 /nfs/dbraw/zinc/02/79/25/314027925.db2.gz SZCJRFAIFYKCGY-INIZCTEOSA-N 1 0 317.477 3.211 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000541783231 314038373 /nfs/dbraw/zinc/03/83/73/314038373.db2.gz BUEDARLJVLCHPX-UHFFFAOYSA-N 1 0 315.417 3.040 10 0 DGAERO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@H]1CC=CCC1 ZINC000542247498 314064607 /nfs/dbraw/zinc/06/46/07/314064607.db2.gz FDKACVPULCDEOH-KRWDZBQOSA-N 1 0 312.457 3.470 10 0 DGAERO COC(=O)c1ccc(-c2nc(C[N@@H+]3C[C@H](C)C[C@H]3C)co2)cc1 ZINC000542933194 314106688 /nfs/dbraw/zinc/10/66/88/314106688.db2.gz XOLIZOFPUMYPIW-CHWSQXEVSA-N 1 0 314.385 3.359 10 0 DGAERO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000543177198 314118284 /nfs/dbraw/zinc/11/82/84/314118284.db2.gz RQRSMVMPARBSJV-JKSUJKDBSA-N 1 0 319.449 3.190 10 0 DGAERO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000543177192 314118586 /nfs/dbraw/zinc/11/85/86/314118586.db2.gz RQRSMVMPARBSJV-CVEARBPZSA-N 1 0 319.449 3.190 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000543340669 314128101 /nfs/dbraw/zinc/12/81/01/314128101.db2.gz YYRLVTTYBUMMRK-QZTJIDSGSA-N 1 0 321.509 3.352 10 0 DGAERO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000543810999 314159088 /nfs/dbraw/zinc/15/90/88/314159088.db2.gz MFRJBXYVAKQMRQ-CXAGYDPISA-N 1 0 305.393 3.347 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC000544227799 314181610 /nfs/dbraw/zinc/18/16/10/314181610.db2.gz NJGGGSXSSOJZCK-AWEZNQCLSA-N 1 0 300.402 3.407 10 0 DGAERO CN(C)C(=O)C[NH2+]C(CCc1ccccc1)CCc1ccccc1 ZINC000545191392 314230905 /nfs/dbraw/zinc/23/09/05/314230905.db2.gz CIHRRNZNKALZPP-UHFFFAOYSA-N 1 0 324.468 3.298 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCC[C@H]2c2ccccc2)CC1 ZINC000546565109 314311156 /nfs/dbraw/zinc/31/11/56/314311156.db2.gz AAKCGROHTNMQNV-SFHVURJKSA-N 1 0 313.445 3.185 10 0 DGAERO CC[C@H](CNC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccccc1 ZINC000546567207 314311352 /nfs/dbraw/zinc/31/13/52/314311352.db2.gz XAWISZSMRURVBT-QGZVFWFLSA-N 1 0 315.461 3.131 10 0 DGAERO Cc1cccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1Cl ZINC000546576593 314311904 /nfs/dbraw/zinc/31/19/04/314311904.db2.gz RVAIFZPBRGPNDB-UHFFFAOYSA-N 1 0 307.825 3.422 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000547271887 314352157 /nfs/dbraw/zinc/35/21/57/314352157.db2.gz RLDSMJBKXYXLEI-SJLPKXTDSA-N 1 0 313.445 3.041 10 0 DGAERO CN1CCO[C@H]([C@@H]([NH2+]CCCC2CC2)c2ccc(Cl)cc2)C1 ZINC000547352989 314359112 /nfs/dbraw/zinc/35/91/12/314359112.db2.gz IBTHJRHWICSDCV-ROUUACIJSA-N 1 0 322.880 3.492 10 0 DGAERO CN1CCO[C@@H]([C@@H]([NH2+]CCCC2CC2)c2ccc(Cl)cc2)C1 ZINC000547352987 314359187 /nfs/dbraw/zinc/35/91/87/314359187.db2.gz IBTHJRHWICSDCV-MSOLQXFVSA-N 1 0 322.880 3.492 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000563261450 315096509 /nfs/dbraw/zinc/09/65/09/315096509.db2.gz GNBHCUNIJKDTSY-XETPBLJFSA-N 1 0 318.848 3.344 10 0 DGAERO c1cn2c(C[NH2+]CCOCC3CCC3)c(C3CC3)nc2s1 ZINC000564647430 315188589 /nfs/dbraw/zinc/18/85/89/315188589.db2.gz FVRTUXKWSDISED-UHFFFAOYSA-N 1 0 305.447 3.180 10 0 DGAERO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCOCC1CCC1 ZINC000564654103 315189311 /nfs/dbraw/zinc/18/93/11/315189311.db2.gz SFZCASJMERQZSI-AWEZNQCLSA-N 1 0 301.434 3.290 10 0 DGAERO c1c[nH]c([C@H]([NH2+]C[C@H]2CC23CCSCC3)c2cccnc2)n1 ZINC000565768910 315286255 /nfs/dbraw/zinc/28/62/55/315286255.db2.gz VFHDXNRWLJKASJ-HUUCEWRRSA-N 1 0 314.458 3.017 10 0 DGAERO c1csc(N2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)n1 ZINC000569611056 315592092 /nfs/dbraw/zinc/59/20/92/315592092.db2.gz RDPVQSOTDFRBGK-HNNXBMFYSA-N 1 0 313.470 3.070 10 0 DGAERO c1csc(C2(NCc3ccc4c(c3)C[NH2+]CC4)CCCC2)n1 ZINC000572008006 315760634 /nfs/dbraw/zinc/76/06/34/315760634.db2.gz PSRZSFDCCDNBKL-UHFFFAOYSA-N 1 0 313.470 3.348 10 0 DGAERO c1ccc2c(c1)CC(C[N@@H+]1CCC3(C1)Oc1ccccc1O3)C2 ZINC000574948930 316018330 /nfs/dbraw/zinc/01/83/30/316018330.db2.gz XSKLCPRKICODHB-UHFFFAOYSA-N 1 0 307.393 3.275 10 0 DGAERO CC(=O)c1cc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])ccc1C ZINC000576291978 316115627 /nfs/dbraw/zinc/11/56/27/316115627.db2.gz YHZKZJJPDDAQTN-NVXWUHKLSA-N 1 0 302.418 3.434 10 0 DGAERO c1ccc(-c2nc(-c3ccncc3)no2)c(CC2CC[NH2+]CC2)c1 ZINC000576607447 316148617 /nfs/dbraw/zinc/14/86/17/316148617.db2.gz SYKMHOCGWYPPON-UHFFFAOYSA-N 1 0 320.396 3.341 10 0 DGAERO CCc1nc(C(C)(C)NC[C@H]2CCC3(CCCCC3)O2)no1 ZINC000576693802 316157621 /nfs/dbraw/zinc/15/76/21/316157621.db2.gz YYLFSDOPMJNQPV-CYBMUJFWSA-N 1 0 307.438 3.339 10 0 DGAERO COC1(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)CCCC1 ZINC000577323069 316223769 /nfs/dbraw/zinc/22/37/69/316223769.db2.gz WPXYHPJANRJUEL-HNNXBMFYSA-N 1 0 311.466 3.389 10 0 DGAERO CCC[C@H](C)C[NH+]1CCN(CCCOCC(F)(F)F)CC1 ZINC000179858257 323216108 /nfs/dbraw/zinc/21/61/08/323216108.db2.gz KVFULOAMXYOYHB-AWEZNQCLSA-N 1 0 310.404 3.009 10 0 DGAERO CCC[N@@H+](Cc1cn(C)nc1C(C)(C)C)C[C@@H]1CCCCO1 ZINC000180068687 323220952 /nfs/dbraw/zinc/22/09/52/323220952.db2.gz DSPVWGCGMSTHNC-INIZCTEOSA-N 1 0 307.482 3.499 10 0 DGAERO Cc1ccc(C)c(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180158768 323222710 /nfs/dbraw/zinc/22/27/10/323222710.db2.gz PTCJDQRICATBMV-PZJWPPBQSA-N 1 0 322.452 3.408 10 0 DGAERO O=C(CCCc1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180472289 323229917 /nfs/dbraw/zinc/22/99/17/323229917.db2.gz XMNHIMVBFDYZEE-HXUWFJFHSA-N 1 0 322.452 3.469 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc(-c2ccccc2)c1 ZINC000180499898 323231211 /nfs/dbraw/zinc/23/12/11/323231211.db2.gz ZRAPYRGINAEMIQ-OXQOHEQNSA-N 1 0 310.441 3.335 10 0 DGAERO c1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000180592756 323233568 /nfs/dbraw/zinc/23/35/68/323233568.db2.gz ACQYATCRQBVIMN-RBUKOAKNSA-N 1 0 324.472 3.374 10 0 DGAERO CCC[C@H]([NH2+][C@H]1CCc2nc(CC)nn2C1)C1CCCCC1 ZINC000180620551 323234156 /nfs/dbraw/zinc/23/41/56/323234156.db2.gz FAPSSKFHNDCITP-HOTGVXAUSA-N 1 0 304.482 3.494 10 0 DGAERO C[C@@H]1CN([C@@H](C[NH2+]C(C2CC2)C2CC2)c2cccs2)CCO1 ZINC000180664672 323235397 /nfs/dbraw/zinc/23/53/97/323235397.db2.gz UKSDAIGSEDHBSG-CJNGLKHVSA-N 1 0 320.502 3.288 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000180670227 323235424 /nfs/dbraw/zinc/23/54/24/323235424.db2.gz MNMBDSQBHMDVKJ-PBHICJAKSA-N 1 0 319.449 3.198 10 0 DGAERO CCC[C@@H](C)C[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000180693393 323236117 /nfs/dbraw/zinc/23/61/17/323236117.db2.gz DGASFSSDZFNGBM-CYBMUJFWSA-N 1 0 308.422 3.010 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2cc(F)ccc2o1 ZINC000180834159 323239523 /nfs/dbraw/zinc/23/95/23/323239523.db2.gz MZVDEZCIKGLUCO-ZIAGYGMSSA-N 1 0 303.381 3.026 10 0 DGAERO C[C@H](CNC(=O)c1c[nH]c2cc(F)ccc12)[NH+]1CCC(C)CC1 ZINC000181186583 323248176 /nfs/dbraw/zinc/24/81/76/323248176.db2.gz DDOGRMQCPGYQNS-CYBMUJFWSA-N 1 0 317.408 3.157 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000181180420 323248238 /nfs/dbraw/zinc/24/82/38/323248238.db2.gz WBDWLYBCFXTLHE-MRXNPFEDSA-N 1 0 320.481 3.109 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(F)c(Cl)c1F ZINC000181257422 323250353 /nfs/dbraw/zinc/25/03/53/323250353.db2.gz DRTWHSNCBJBVJI-JTQLQIEISA-N 1 0 318.795 3.324 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000181819261 323270662 /nfs/dbraw/zinc/27/06/62/323270662.db2.gz XEWGSYPVSDFQCN-KKXDTOCCSA-N 1 0 321.509 3.397 10 0 DGAERO C[C@H]([NH2+]CCN(C)c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000182047886 323281126 /nfs/dbraw/zinc/28/11/26/323281126.db2.gz HPTNBNZOTLRUCQ-INIZCTEOSA-N 1 0 321.428 3.054 10 0 DGAERO CCSc1ccc([C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)cc1 ZINC000182129842 323284301 /nfs/dbraw/zinc/28/43/01/323284301.db2.gz ZYKRLHQHRDLTIS-QWHCGFSZSA-N 1 0 315.504 3.130 10 0 DGAERO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182267195 323289663 /nfs/dbraw/zinc/28/96/63/323289663.db2.gz FWOKUHYGSJRHJK-ZDUSSCGKSA-N 1 0 312.369 3.013 10 0 DGAERO COc1ccccc1CC[N@H+](C)C[C@H](O)CCc1ccccc1 ZINC000182334409 323293674 /nfs/dbraw/zinc/29/36/74/323293674.db2.gz FQJSJGJIWKVCKT-LJQANCHMSA-N 1 0 313.441 3.163 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000182359920 323295019 /nfs/dbraw/zinc/29/50/19/323295019.db2.gz YVHDGMREFUVTRN-DLBZAZTESA-N 1 0 318.461 3.297 10 0 DGAERO CC[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000182565655 323304570 /nfs/dbraw/zinc/30/45/70/323304570.db2.gz FCVZSBJTFNMJBM-AEFFLSMTSA-N 1 0 320.477 3.281 10 0 DGAERO CCC[C@H](C(=O)N[C@@H]1CCCOc2c(Cl)cccc21)[NH+](C)C ZINC000182566720 323305417 /nfs/dbraw/zinc/30/54/17/323305417.db2.gz HSVVYLDOZDQFON-HUUCEWRRSA-N 1 0 324.852 3.400 10 0 DGAERO COC[C@@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1ccc(F)c(F)c1 ZINC000183010121 323319435 /nfs/dbraw/zinc/31/94/35/323319435.db2.gz IBUQNDDKTITICT-SJORKVTESA-N 1 0 315.404 3.429 10 0 DGAERO C[C@H](CCNC(=O)c1scnc1C1CC1)[NH+]1CCCCC1 ZINC000183168505 323328758 /nfs/dbraw/zinc/32/87/58/323328758.db2.gz IYCLMIAHSSSUET-GFCCVEGCSA-N 1 0 307.463 3.015 10 0 DGAERO Cc1cnc(C(C)(C)[NH2+]C[C@H](O)COc2ccc(C)cc2)s1 ZINC000183962065 323352028 /nfs/dbraw/zinc/35/20/28/323352028.db2.gz DLJDXSZJHJFYCI-AWEZNQCLSA-N 1 0 320.458 3.025 10 0 DGAERO COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000184548897 323367982 /nfs/dbraw/zinc/36/79/82/323367982.db2.gz RIEPGGLWYXFQAX-GOEBONIOSA-N 1 0 317.404 3.479 10 0 DGAERO CCCC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)C1CCC1 ZINC000184894588 323376569 /nfs/dbraw/zinc/37/65/69/323376569.db2.gz NHGUKIHMSWWJHG-GOSISDBHSA-N 1 0 318.461 3.260 10 0 DGAERO CC1(C)CCCC[C@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184947770 323377453 /nfs/dbraw/zinc/37/74/53/323377453.db2.gz DADXTUPRPPQWNX-MRXNPFEDSA-N 1 0 321.440 3.116 10 0 DGAERO CC[C@H](NCc1nnc(-c2ccccc2)n1C)c1nccs1 ZINC000185049158 323379196 /nfs/dbraw/zinc/37/91/96/323379196.db2.gz GNFPKSVDWPCIHF-ZDUSSCGKSA-N 1 0 313.430 3.180 10 0 DGAERO C[C@]1(C(N)=O)CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000185892436 323397863 /nfs/dbraw/zinc/39/78/63/323397863.db2.gz ZWAOKUBFQJEVNH-CQSZACIVSA-N 1 0 301.217 3.223 10 0 DGAERO C[NH+](C)CC1(CNC(=O)C/C=C/c2cccc(F)c2)CCCC1 ZINC000186181120 323402436 /nfs/dbraw/zinc/40/24/36/323402436.db2.gz IBPWVRJWPULVAN-SOFGYWHQSA-N 1 0 318.436 3.467 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000186581850 323406722 /nfs/dbraw/zinc/40/67/22/323406722.db2.gz UXCDQUILDTUCEC-QGZVFWFLSA-N 1 0 317.477 3.293 10 0 DGAERO COC[C@H](C)C[NH2+][C@H](C)Cc1ccccc1Br ZINC000188125016 323422209 /nfs/dbraw/zinc/42/22/09/323422209.db2.gz MWCGLDDYLOPGFI-VXGBXAGGSA-N 1 0 300.240 3.252 10 0 DGAERO COC[C@H](C)C[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000188219277 323423571 /nfs/dbraw/zinc/42/35/71/323423571.db2.gz XCXIYMFBIFMQOF-LLVKDONJSA-N 1 0 306.233 3.382 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(CSCc4cccnc4)n3)cc12 ZINC000351076133 323539704 /nfs/dbraw/zinc/53/97/04/323539704.db2.gz KMAQGQWFVBJXOR-UHFFFAOYSA-N 1 0 323.381 3.213 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(CSc4ccncc4)n3)cc12 ZINC000351089744 323543171 /nfs/dbraw/zinc/54/31/71/323543171.db2.gz OFTLVUXPELBDNT-UHFFFAOYSA-N 1 0 309.354 3.072 10 0 DGAERO c1nc(C2CC2)c(-c2nc(-c3ccn4c[nH+]cc4c3)no2)s1 ZINC000351095021 323544817 /nfs/dbraw/zinc/54/48/17/323544817.db2.gz PUYZNUNUTHDVMD-UHFFFAOYSA-N 1 0 309.354 3.385 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@@]1(C)C[NH3+] ZINC000380421091 323612087 /nfs/dbraw/zinc/61/20/87/323612087.db2.gz XGBXKURSMAKFRC-YMTOWFKASA-N 1 0 316.232 3.442 10 0 DGAERO C[NH2+]CCc1ccccc1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000383836130 323627051 /nfs/dbraw/zinc/62/70/51/323627051.db2.gz NSFINBLMTKFKBM-UHFFFAOYSA-N 1 0 310.397 3.026 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384500195 323628609 /nfs/dbraw/zinc/62/86/09/323628609.db2.gz WUZZNSYCJOYBHQ-CMPLNLGQSA-N 1 0 300.855 3.138 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]1C ZINC000385631882 323631882 /nfs/dbraw/zinc/63/18/82/323631882.db2.gz KPMIFMUOEZBOIX-LNLATYFQSA-N 1 0 312.207 3.312 10 0 DGAERO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1)C1CC1 ZINC000388233835 323650029 /nfs/dbraw/zinc/65/00/29/323650029.db2.gz NOUHAQQICNRABV-OTYXRUKQSA-N 1 0 316.214 3.491 10 0 DGAERO CSc1ccccc1[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000578965947 323806168 /nfs/dbraw/zinc/80/61/68/323806168.db2.gz WRSOCMCRYFFVBG-CYBMUJFWSA-N 1 0 309.479 3.063 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)Nc1ccccc1C[NH+](C)C ZINC000579976063 323943147 /nfs/dbraw/zinc/94/31/47/323943147.db2.gz FEWUANKJGVOMSY-AWEZNQCLSA-N 1 0 304.434 3.472 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]CC3CCOCC3)CC23CC3)cc1 ZINC000580647216 324021723 /nfs/dbraw/zinc/02/17/23/324021723.db2.gz UPPGVRIQWIIGKL-IBGZPJMESA-N 1 0 314.473 3.200 10 0 DGAERO Clc1ccc2nc(C[N@@H+]3CC[C@H](c4cccnc4)C3)cn2c1 ZINC000581546297 324129127 /nfs/dbraw/zinc/12/91/27/324129127.db2.gz FUEVJEWWNQMBGN-AWEZNQCLSA-N 1 0 312.804 3.372 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)NCc1ccc(C2CCC2)cc1 ZINC000581584229 324133234 /nfs/dbraw/zinc/13/32/34/324133234.db2.gz BHESUBXTWNOCKN-UHFFFAOYSA-N 1 0 303.450 3.047 10 0 DGAERO COC[C@@H]([NH2+]CCOc1cccc(OC)c1)c1ccc(F)cc1 ZINC000582863147 324285333 /nfs/dbraw/zinc/28/53/33/324285333.db2.gz SOLBKPXJCPLGRZ-GOSISDBHSA-N 1 0 319.376 3.190 10 0 DGAERO c1ccc2c(c1)CC[C@@H](C[N@@H+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC000584487626 337349752 /nfs/dbraw/zinc/34/97/52/337349752.db2.gz MBOSBZIJNHUKLX-OXQOHEQNSA-N 1 0 308.425 3.340 10 0 DGAERO O=C(c1ccccc1C1=[NH+]CCN1)c1cccc2ccccc21 ZINC000584606015 337371657 /nfs/dbraw/zinc/37/16/57/337371657.db2.gz GYKSJKZKYHWJSC-UHFFFAOYSA-N 1 0 300.361 3.421 10 0 DGAERO C[NH+]1CCC([C@@]2(O)c3ccccc3C=Cc3cccnc32)CC1 ZINC000584617800 337373127 /nfs/dbraw/zinc/37/31/27/337373127.db2.gz RJPJVOYQEXVRSK-HXUWFJFHSA-N 1 0 306.409 3.143 10 0 DGAERO CCN(CCC[NH+](C)C)Nc1ccnc2cc(Cl)ccc21 ZINC000584621154 337374808 /nfs/dbraw/zinc/37/48/08/337374808.db2.gz FKJAHRRVDPNTKK-UHFFFAOYSA-N 1 0 306.841 3.489 10 0 DGAERO [NH3+][C@@H]1CCc2cc(C(=O)Nc3cccc(Cl)c3)ccc2C1 ZINC000584626048 337375872 /nfs/dbraw/zinc/37/58/72/337375872.db2.gz FNTSBLASHNRXEK-OAHLLOKOSA-N 1 0 300.789 3.408 10 0 DGAERO [NH3+][C@H]1CCc2cc(C(=O)Nc3cccc(Cl)c3)ccc2C1 ZINC000584626047 337375981 /nfs/dbraw/zinc/37/59/81/337375981.db2.gz FNTSBLASHNRXEK-HNNXBMFYSA-N 1 0 300.789 3.408 10 0 DGAERO CCCCCC[C@@](C)(O)C[NH2+]CCOc1ccccc1OC ZINC000584626873 337376070 /nfs/dbraw/zinc/37/60/70/337376070.db2.gz GWAWYCAAUHQHRW-GOSISDBHSA-N 1 0 309.450 3.385 10 0 DGAERO COc1ccc(NC(=O)Nc2ccc(C=C3C[NH2+]C3)cc2)cc1 ZINC000584649242 337380506 /nfs/dbraw/zinc/38/05/06/337380506.db2.gz YZEULGSIBWMIOT-UHFFFAOYSA-N 1 0 309.369 3.326 10 0 DGAERO CC[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CC1(C)C ZINC000397724297 1177010871 /nfs/dbraw/zinc/01/08/71/1177010871.db2.gz WUXUXWFHZXYSJE-QWHCGFSZSA-N 1 0 314.271 3.450 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C2(c3ccccc3)CCC2)CC[N@@H+]1C ZINC000123607082 500909391 /nfs/dbraw/zinc/90/93/91/500909391.db2.gz UEKFKPOEOBILKB-NVXWUHKLSA-N 1 0 300.446 3.049 10 0 DGAERO CSCc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1F ZINC000177223130 533832770 /nfs/dbraw/zinc/83/27/70/533832770.db2.gz VVANHYHPRIQJJJ-RISCZKNCSA-N 1 0 322.449 3.044 10 0 DGAERO C[C@H](CCCC[NH3+])Nc1ncc(Cl)cc1Br ZINC000309436557 533852045 /nfs/dbraw/zinc/85/20/45/533852045.db2.gz KNQDPUOLIHDEMN-MRVPVSSYSA-N 1 0 306.635 3.427 10 0 DGAERO Cc1cc(F)ccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158324613 533882154 /nfs/dbraw/zinc/88/21/54/533882154.db2.gz LVFTZEQWPXLQBD-UHFFFAOYSA-N 1 0 307.413 3.376 10 0 DGAERO C[C@@H](C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1)c1ccccc1 ZINC000177406131 534081810 /nfs/dbraw/zinc/08/18/10/534081810.db2.gz QAKBHDVNVVWARO-SCLBCKFNSA-N 1 0 316.832 3.434 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000162599161 534406353 /nfs/dbraw/zinc/40/63/53/534406353.db2.gz OUOLUMGLRDDUTI-BXUZGUMPSA-N 1 0 305.315 3.485 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000156404095 519645845 /nfs/dbraw/zinc/64/58/45/519645845.db2.gz CMNQNAKSEBOGFE-MHJFOBGBSA-N 1 0 323.440 3.208 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(OC)c(F)c2)CC1 ZINC000157719758 519842997 /nfs/dbraw/zinc/84/29/97/519842997.db2.gz SFGYJTXKSDAPOF-UHFFFAOYSA-N 1 0 323.412 3.078 10 0 DGAERO CC(C)c1nc(NC[C@@H]2CCC[NH2+]C2)cc(-c2ccncc2)n1 ZINC000070456365 519866059 /nfs/dbraw/zinc/86/60/59/519866059.db2.gz XVXQFIZRCCBRRA-CQSZACIVSA-N 1 0 311.433 3.074 10 0 DGAERO c1ccc(-c2ccc(CN3CCC[C@@H]([NH+]4CCCC4)C3)cn2)nc1 ZINC000425399299 534478157 /nfs/dbraw/zinc/47/81/57/534478157.db2.gz AXYXAFHFAYAYAR-GOSISDBHSA-N 1 0 322.456 3.204 10 0 DGAERO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000156972871 520464945 /nfs/dbraw/zinc/46/49/45/520464945.db2.gz LBFMCLBDTUOXBH-QGZVFWFLSA-N 1 0 318.461 3.447 10 0 DGAERO COC(=O)c1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)oc1C ZINC000157010794 521837490 /nfs/dbraw/zinc/83/74/90/521837490.db2.gz XTZMMGKYYWTVEX-LBPRGKRZSA-N 1 0 320.414 3.211 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1CCCN1CCOC)c1cc(F)ccc1F ZINC000163320827 522633563 /nfs/dbraw/zinc/63/35/63/522633563.db2.gz OMFGGYDRNSYYQI-PBHICJAKSA-N 1 0 312.404 3.116 10 0 DGAERO C[C@@H](C(=O)NC1(c2ccc(Cl)cc2)CCCC1)C1C[NH2+]C1 ZINC000262585906 524159370 /nfs/dbraw/zinc/15/93/70/524159370.db2.gz VJLUISZXXSHWNJ-GFCCVEGCSA-N 1 0 306.837 3.081 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156641328 524242324 /nfs/dbraw/zinc/24/23/24/524242324.db2.gz DQGXQIDOGKLJQQ-UHFFFAOYSA-N 1 0 302.761 3.204 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000450662120 534788863 /nfs/dbraw/zinc/78/88/63/534788863.db2.gz HMMMIHWFRHEEQT-DIFFPNOSSA-N 1 0 318.442 3.109 10 0 DGAERO C[C@@H](CCn1cccn1)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000158972105 524553270 /nfs/dbraw/zinc/55/32/70/524553270.db2.gz ASUMALDKGLCSNK-HOTGVXAUSA-N 1 0 309.417 3.198 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000496199973 534815031 /nfs/dbraw/zinc/81/50/31/534815031.db2.gz LLQIZBGXWLVPOV-BPUTZDHNSA-N 1 0 308.466 3.269 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@H](C)c1nc2ccccc2s1 ZINC000154579404 525386801 /nfs/dbraw/zinc/38/68/01/525386801.db2.gz MMGZHVCHABNLBJ-IHRRRGAJSA-N 1 0 303.475 3.472 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000432583614 527142581 /nfs/dbraw/zinc/14/25/81/527142581.db2.gz HSTFNZYNRQFXDE-QAPCUYQASA-N 1 0 318.461 3.191 10 0 DGAERO [NH3+]C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000237896107 527227829 /nfs/dbraw/zinc/22/78/29/527227829.db2.gz XBUFTXBVZVHEQW-IKGGRYGDSA-N 1 0 320.864 3.467 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000415452294 527306602 /nfs/dbraw/zinc/30/66/02/527306602.db2.gz OHNJNPHRIQOBIN-GFCCVEGCSA-N 1 0 323.824 3.196 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000431116907 527311376 /nfs/dbraw/zinc/31/13/76/527311376.db2.gz FGUZLRDCDWWNHW-UAXFRFBQSA-N 1 0 314.429 3.385 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCO[C@@H](c2cncn2C)C1 ZINC000328652249 527506047 /nfs/dbraw/zinc/50/60/47/527506047.db2.gz WGNCESWMGYPPKA-PDUYLLJLSA-N 1 0 311.429 3.333 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000328460465 527804601 /nfs/dbraw/zinc/80/46/01/527804601.db2.gz UHXAPAYBNRDCRP-LBPRGKRZSA-N 1 0 302.187 3.245 10 0 DGAERO CC1(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000175079590 527968527 /nfs/dbraw/zinc/96/85/27/527968527.db2.gz ZGBYLQOBSQFNEI-QGZVFWFLSA-N 1 0 300.446 3.205 10 0 DGAERO CC(C)c1ccc(C2(C[NH2+][C@H]3CCNC3=O)CCCC2)cc1 ZINC000179067298 528081811 /nfs/dbraw/zinc/08/18/11/528081811.db2.gz GAGGIOWBXNODCQ-KRWDZBQOSA-N 1 0 300.446 3.100 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC000449497843 536527941 /nfs/dbraw/zinc/52/79/41/536527941.db2.gz ATOMMSNQLYUZDM-MJXNMMHHSA-N 1 0 303.446 3.013 10 0 DGAERO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC23CCC3)cc1 ZINC000435577645 528188470 /nfs/dbraw/zinc/18/84/70/528188470.db2.gz JYGNKGUWFFKCBU-UHFFFAOYSA-N 1 0 315.461 3.366 10 0 DGAERO CCCNC(=O)C1([NH2+]CCOc2ccc(F)cc2)CCCCC1 ZINC000440399516 528334373 /nfs/dbraw/zinc/33/43/73/528334373.db2.gz OBYHJELSFCSWQW-UHFFFAOYSA-N 1 0 322.424 3.023 10 0 DGAERO CCCCNC(=O)C1([NH2+]Cc2cnn(CCC)c2)CCCCC1 ZINC000154630041 528491584 /nfs/dbraw/zinc/49/15/84/528491584.db2.gz AHXXAQVONSMCMI-UHFFFAOYSA-N 1 0 320.481 3.002 10 0 DGAERO CCCc1nnc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000302188225 528777714 /nfs/dbraw/zinc/77/77/14/528777714.db2.gz XDLXFKJYXULYIL-UKRRQHHQSA-N 1 0 316.474 3.423 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000434414674 528965164 /nfs/dbraw/zinc/96/51/64/528965164.db2.gz FCACUTSTYNOFTH-ZWKOTPCHSA-N 1 0 321.509 3.376 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000176075372 529096641 /nfs/dbraw/zinc/09/66/41/529096641.db2.gz OPWKEPKDUREDGX-INIZCTEOSA-N 1 0 318.461 3.420 10 0 DGAERO CC[C@H]1CN(c2ccnc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302145260 529302389 /nfs/dbraw/zinc/30/23/89/529302389.db2.gz HHQCTTRPQMTDSK-SFHVURJKSA-N 1 0 322.456 3.455 10 0 DGAERO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449269410 535171243 /nfs/dbraw/zinc/17/12/43/535171243.db2.gz NETMPMPZPDORHK-CYBMUJFWSA-N 1 0 323.380 3.157 10 0 DGAERO CCO[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1C ZINC000449492276 535634292 /nfs/dbraw/zinc/63/42/92/535634292.db2.gz IWKMCMDAPARKKJ-CJNGLKHVSA-N 1 0 317.458 3.452 10 0 DGAERO C[NH+](C)CCN(Cc1ccco1)C(=O)NCC1CCCCCC1 ZINC000459018182 535868617 /nfs/dbraw/zinc/86/86/17/535868617.db2.gz JEIVMSJODKRZHJ-UHFFFAOYSA-N 1 0 321.465 3.323 10 0 DGAERO CCn1nncc1C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000459393831 535928616 /nfs/dbraw/zinc/92/86/16/535928616.db2.gz FXJPEYTYXXPHLW-HFBAOOFYSA-N 1 0 304.825 3.438 10 0 DGAERO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC2CCCCCC2)C1 ZINC000459030008 536179317 /nfs/dbraw/zinc/17/93/17/536179317.db2.gz QWIXSUWAMQIJPE-SFHVURJKSA-N 1 0 321.509 3.330 10 0 DGAERO C[NH2+][C@@H]1CCN(c2ccc(F)cc2Br)[C@@H](C)C1 ZINC000049712522 536377581 /nfs/dbraw/zinc/37/75/81/536377581.db2.gz CQXYKZKJVGFILQ-GXSJLCMTSA-N 1 0 301.203 3.165 10 0 DGAERO Cc1cccc(CCC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000053759764 545696867 /nfs/dbraw/zinc/69/68/67/545696867.db2.gz WBVKRTJUCGEPTN-LJQANCHMSA-N 1 0 310.441 3.347 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000075530234 545730089 /nfs/dbraw/zinc/73/00/89/545730089.db2.gz NQRMXHFPNHHXFU-UHFFFAOYSA-N 1 0 311.857 3.213 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516954 545757961 /nfs/dbraw/zinc/75/79/61/545757961.db2.gz FGLHOKQPJOPDBU-CQSZACIVSA-N 1 0 301.217 3.094 10 0 DGAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000088276814 545808819 /nfs/dbraw/zinc/80/88/19/545808819.db2.gz JLICJKNNCRWOEY-YNEHKIRRSA-N 1 0 308.388 3.235 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNc1cc(C)nc(-c2ccncc2)n1 ZINC000112081080 545872904 /nfs/dbraw/zinc/87/29/04/545872904.db2.gz ZNVJWPYMVYJFSB-INIZCTEOSA-N 1 0 311.433 3.133 10 0 DGAERO CCn1nccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000119166946 545877074 /nfs/dbraw/zinc/87/70/74/545877074.db2.gz VVROVFKWUGUVEE-YQQQUEKLSA-N 1 0 324.472 3.188 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000120641043 545887946 /nfs/dbraw/zinc/88/79/46/545887946.db2.gz PXVYDCQOHOPXRB-ADLMAVQZSA-N 1 0 301.409 3.384 10 0 DGAERO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)on1 ZINC000126686715 545924322 /nfs/dbraw/zinc/92/43/22/545924322.db2.gz UWQJMNRFDKQVMH-NWDGAFQWSA-N 1 0 305.353 3.108 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3cncnc3)C2)n1 ZINC000130209396 545948062 /nfs/dbraw/zinc/94/80/62/545948062.db2.gz FUURYQSSRMRQTI-CQSZACIVSA-N 1 0 302.447 3.436 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000136384452 545981673 /nfs/dbraw/zinc/98/16/73/545981673.db2.gz MXGAMQDIINBKOK-CYBMUJFWSA-N 1 0 303.233 3.325 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1ccc(Cl)cc1Cl ZINC000136305089 545982078 /nfs/dbraw/zinc/98/20/78/545982078.db2.gz RTAWYULRJXJBDU-ZDUSSCGKSA-N 1 0 303.233 3.026 10 0 DGAERO Fc1ccc(OCCC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152485617 546003650 /nfs/dbraw/zinc/00/36/50/546003650.db2.gz DTLURGRSMJAAFK-GOSISDBHSA-N 1 0 316.376 3.143 10 0 DGAERO O=C(c1cccc(F)c1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000165334988 546092622 /nfs/dbraw/zinc/09/26/22/546092622.db2.gz GYPZEZOUSZLRST-FZMZJTMJSA-N 1 0 310.800 3.083 10 0 DGAERO O=C(c1cccc(F)c1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000165335244 546092796 /nfs/dbraw/zinc/09/27/96/546092796.db2.gz GYPZEZOUSZLRST-SMDDNHRTSA-N 1 0 310.800 3.083 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc3ccccc3nc2C)[C@H](C)C1 ZINC000175720113 546113389 /nfs/dbraw/zinc/11/33/89/546113389.db2.gz FBXLKSQHCBMPTF-KUHUBIRLSA-N 1 0 312.461 3.100 10 0 DGAERO NC(=O)[C@@H]1CCC[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000180238873 546143125 /nfs/dbraw/zinc/14/31/25/546143125.db2.gz IKJBUZPJKGKDNX-RTBURBONSA-N 1 0 322.452 3.452 10 0 DGAERO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181151037 546154525 /nfs/dbraw/zinc/15/45/25/546154525.db2.gz FHNQYRCEVWKOBA-OAHLLOKOSA-N 1 0 323.444 3.467 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)CC2CC2)cc1 ZINC000181391686 546156647 /nfs/dbraw/zinc/15/66/47/546156647.db2.gz SRVLRCKBIPWCLI-OAHLLOKOSA-N 1 0 318.461 3.240 10 0 DGAERO C[C@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccc2ccccc2c1 ZINC000181486781 546157130 /nfs/dbraw/zinc/15/71/30/546157130.db2.gz GSPBOMMKPQZMFX-ZDUSSCGKSA-N 1 0 318.380 3.027 10 0 DGAERO c1cc2cnccc2c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000181539049 546158116 /nfs/dbraw/zinc/15/81/16/546158116.db2.gz CJBIESNDMAWTRQ-AEFFLSMTSA-N 1 0 314.454 3.379 10 0 DGAERO Cc1c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)ccn1C ZINC000192555355 546234139 /nfs/dbraw/zinc/23/41/39/546234139.db2.gz VCJIBYBYODTFNF-UHFFFAOYSA-N 1 0 317.477 3.106 10 0 DGAERO COCc1ccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)cc1 ZINC000230653452 546274681 /nfs/dbraw/zinc/27/46/81/546274681.db2.gz HLVSMEWREVIRDO-UHFFFAOYSA-N 1 0 322.449 3.226 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nccc(C)c1Br ZINC000233478401 546277623 /nfs/dbraw/zinc/27/76/23/546277623.db2.gz MZQASQOHHRYFSS-LBPRGKRZSA-N 1 0 312.255 3.073 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245944423 546301307 /nfs/dbraw/zinc/30/13/07/546301307.db2.gz KIEQDLYBUDJIAV-JECHBYEQSA-N 1 0 318.852 3.468 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000246968134 546307492 /nfs/dbraw/zinc/30/74/92/546307492.db2.gz KXXOXGXECSZVMV-BPQIPLTHSA-N 1 0 302.462 3.191 10 0 DGAERO CN(CCc1cccc2ccccc21)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261616319 546337758 /nfs/dbraw/zinc/33/77/58/546337758.db2.gz AESUUIKNQVJEKY-IEBWSBKVSA-N 1 0 310.441 3.216 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000261670562 546337863 /nfs/dbraw/zinc/33/78/63/546337863.db2.gz GBKUPODTSLBPID-DGCLKSJQSA-N 1 0 324.384 3.136 10 0 DGAERO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261714844 546338477 /nfs/dbraw/zinc/33/84/77/546338477.db2.gz JNSSPWZXNDMOEU-HCXYKTFWSA-N 1 0 314.473 3.465 10 0 DGAERO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312610848 546452930 /nfs/dbraw/zinc/45/29/30/546452930.db2.gz WTSWALAACHHKGF-SVRRBLITSA-N 1 0 300.276 3.257 10 0 DGAERO C[C@@H](CC[NH2+]Cc1cc(Cl)sc1Cl)[S@](C)=O ZINC000312601333 546453110 /nfs/dbraw/zinc/45/31/10/546453110.db2.gz LZFUBEATAAXGPW-GYKQLYQFSA-N 1 0 300.276 3.302 10 0 DGAERO C[C@H]1CCCC[C@H]1OCc1noc(CC2CC[NH+](C)CC2)n1 ZINC000329762270 546492074 /nfs/dbraw/zinc/49/20/74/546492074.db2.gz SLZQKOXDSYDQRP-DZGCQCFKSA-N 1 0 307.438 3.049 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000378937494 546735185 /nfs/dbraw/zinc/73/51/85/546735185.db2.gz QHUPVKBSZXPRNA-GDBMZVCRSA-N 1 0 310.397 3.060 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CCN1Cc1ccccc1 ZINC000379656822 546735582 /nfs/dbraw/zinc/73/55/82/546735582.db2.gz QPXQOSUUPRUHHR-NEWSRXKRSA-N 1 0 302.462 3.198 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]C1CSC1)CS2 ZINC000379777331 546736578 /nfs/dbraw/zinc/73/65/78/546736578.db2.gz DOPVYVFTGPYBPP-JTQLQIEISA-N 1 0 302.262 3.301 10 0 DGAERO COc1ccc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000381802870 546740964 /nfs/dbraw/zinc/74/09/64/546740964.db2.gz UVNVTFSZRTVLQA-NVXWUHKLSA-N 1 0 311.429 3.413 10 0 DGAERO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccsc1Br ZINC000381491738 546741161 /nfs/dbraw/zinc/74/11/61/546741161.db2.gz YDTNJJKNYNHMJR-ZJUUUORDSA-N 1 0 304.253 3.415 10 0 DGAERO O=C(C[C@@H]1CC[NH2+]C1)Nc1ccccc1OCc1ccccc1 ZINC000390755158 546754533 /nfs/dbraw/zinc/75/45/33/546754533.db2.gz VKBULUIZQUROJB-INIZCTEOSA-N 1 0 310.397 3.204 10 0 DGAERO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1CCOCc1ccccc1 ZINC000390777978 546755700 /nfs/dbraw/zinc/75/57/00/546755700.db2.gz OTCRVOMJILFPCJ-GBESFXJTSA-N 1 0 303.446 3.219 10 0 DGAERO c1nnc([C@@H]2CCC[N@@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)n1C1CC1 ZINC000411398299 546772466 /nfs/dbraw/zinc/77/24/66/546772466.db2.gz JCHWTRSBYSNTLY-KBAYOESNSA-N 1 0 308.429 3.349 10 0 DGAERO CC/C=C\CC[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000588475935 547026965 /nfs/dbraw/zinc/02/69/65/547026965.db2.gz MQGOSBTYOGXMPZ-SREVYHEPSA-N 1 0 304.482 3.112 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C12CCOCC2 ZINC000588485702 547026980 /nfs/dbraw/zinc/02/69/80/547026980.db2.gz HCBDICLAUBCRJM-QQSUMNJZSA-N 1 0 301.430 3.264 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667819315 547312137 /nfs/dbraw/zinc/31/21/37/547312137.db2.gz TWXAYXNUYMSXGY-VAMGGRTRSA-N 1 0 314.473 3.198 10 0 DGAERO c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]CCOC2CCCC2)cc1 ZINC000671104349 547769489 /nfs/dbraw/zinc/76/94/89/547769489.db2.gz UIJHLEMJRHBKKR-UFRUDQCGSA-N 1 0 314.473 3.056 10 0 DGAERO C[C@@H]1CCN(c2ccc(Cl)c(Br)c2)CC[NH2+]1 ZINC000675059516 548149040 /nfs/dbraw/zinc/14/90/40/548149040.db2.gz QUBBUYJZWKAGPI-SECBINFHSA-N 1 0 303.631 3.291 10 0 DGAERO Cc1ccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1F ZINC000675055499 548149045 /nfs/dbraw/zinc/14/90/45/548149045.db2.gz UIMLFWCCNBZNGE-UKRRQHHQSA-N 1 0 308.397 3.452 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@](C)([NH+]2CCSCC2)CC1 ZINC000685952470 549810584 /nfs/dbraw/zinc/81/05/84/549810584.db2.gz MLADHFDMQVTFNB-MRXNPFEDSA-N 1 0 314.495 3.215 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712513951 563318765 /nfs/dbraw/zinc/31/87/65/563318765.db2.gz AUOHRYXTKJEIKV-SJCJKPOMSA-N 1 0 322.474 3.366 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@]2(C1)[NH2+]CCc1occc12 ZINC000724099527 563496480 /nfs/dbraw/zinc/49/64/80/563496480.db2.gz IGDJHGFZTBQZBX-YVEFUNNKSA-N 1 0 306.406 3.088 10 0 DGAERO C/C(=C/C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000730785853 574535913 /nfs/dbraw/zinc/53/59/13/574535913.db2.gz KPYAXVUKTNZGLL-MPKFPZTBSA-N 1 0 300.446 3.469 10 0 DGAERO C[C@@H](CNC(=O)CC/C=C\c1ccccc1)[NH+]1CCCCC1 ZINC000737811652 574537882 /nfs/dbraw/zinc/53/78/82/574537882.db2.gz SXRUZOYTTSOZBN-NYDKFZDJSA-N 1 0 300.446 3.471 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(F)c(F)c1 ZINC000675053649 563861045 /nfs/dbraw/zinc/86/10/45/563861045.db2.gz JVILABWGJBKQQF-FZMZJTMJSA-N 1 0 312.360 3.364 10 0 DGAERO C/C(=C\C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC000732063315 574565562 /nfs/dbraw/zinc/56/55/62/574565562.db2.gz UNWCXQADZBTGIN-SFKKXYGYSA-N 1 0 318.436 3.466 10 0 DGAERO C/C(=C\C(=O)NCCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732052255 574565664 /nfs/dbraw/zinc/56/56/64/574565664.db2.gz HBFMWPNYQUZVEK-FYWRMAATSA-N 1 0 304.409 3.221 10 0 DGAERO CC[C@H](C)C[N@H+](C)CN1C(=O)NC2(CCC(C(C)C)CC2)C1=O ZINC000732184592 574567244 /nfs/dbraw/zinc/56/72/44/574567244.db2.gz ZMQHGFXIDXOXFS-SYJJWHGVSA-N 1 0 323.481 3.059 10 0 DGAERO CCCCOC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000741787594 574648291 /nfs/dbraw/zinc/64/82/91/574648291.db2.gz HHGNTMHKDUGVDA-ZWKOTPCHSA-N 1 0 324.509 3.306 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000734139786 574652922 /nfs/dbraw/zinc/65/29/22/574652922.db2.gz ZTNRVJHVPHHVBO-GXTWGEPZSA-N 1 0 317.458 3.348 10 0 DGAERO c1nc(-c2ccccc2)nn1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000735484686 574704608 /nfs/dbraw/zinc/70/46/08/574704608.db2.gz ZBAHFKCMBGYYCK-SFYZZRBRSA-N 1 0 308.429 3.413 10 0 DGAERO Cc1ccc([C@H](C)CNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000737455304 574844747 /nfs/dbraw/zinc/84/47/47/574844747.db2.gz DTMLSTXVWMMKBO-OAHLLOKOSA-N 1 0 321.534 3.150 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@]2(CC1)[NH2+]CCc1occc12 ZINC000704084239 568414269 /nfs/dbraw/zinc/41/42/69/568414269.db2.gz CSFDHCHOZSUXNH-QGZVFWFLSA-N 1 0 306.406 3.042 10 0 DGAERO FC(F)C(F)(F)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738313206 574865962 /nfs/dbraw/zinc/86/59/62/574865962.db2.gz FFCRWNZWJATSHP-ZDUSSCGKSA-N 1 0 310.379 3.475 10 0 DGAERO CC(C)n1c(N(C)C)nn(CN2CCC[C@H](C)CC2)c1=S ZINC000728900069 575193007 /nfs/dbraw/zinc/19/30/07/575193007.db2.gz BJQHWIRTAXDMTN-ZDUSSCGKSA-N 1 0 311.499 3.140 10 0 DGAERO CCCNC(=S)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741499546 574959922 /nfs/dbraw/zinc/95/99/22/574959922.db2.gz UETNQLNXIUZIBW-TZMCWYRMSA-N 1 0 311.520 3.005 10 0 DGAERO C/C(=C\C(=O)NC[C@H]1CC[N@@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000729286597 575232331 /nfs/dbraw/zinc/23/23/31/575232331.db2.gz BIBXWNLKZGULLS-BGIXKYGVSA-N 1 0 316.489 3.217 10 0 DGAERO Cc1cc(NC(=O)C[C@H]2CC[N@@H+](C)C2)ccc1Br ZINC000169960464 575288173 /nfs/dbraw/zinc/28/81/73/575288173.db2.gz MXVVWIPNGHBHJT-LLVKDONJSA-N 1 0 311.223 3.038 10 0 DGAERO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000393601706 575904596 /nfs/dbraw/zinc/90/45/96/575904596.db2.gz UNEDRMPXMJHGFD-VQIMIIECSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1sccc1Br ZINC000218307708 575917346 /nfs/dbraw/zinc/91/73/46/575917346.db2.gz VUVREVGPWRPHNZ-IVZWLZJFSA-N 1 0 304.253 3.465 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Br)C(C)(C)O ZINC000393977523 575936379 /nfs/dbraw/zinc/93/63/79/575936379.db2.gz YFUOGFZLAPHGQZ-DTWKUNHWSA-N 1 0 304.203 3.398 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000737942107 575961672 /nfs/dbraw/zinc/96/16/72/575961672.db2.gz IBLBFHWMJCIMIY-KRWDZBQOSA-N 1 0 302.462 3.481 10 0 DGAERO c1nn(-c2cc[nH+]cc2)cc1NCc1cnc2ccccc2c1 ZINC000727243080 576114982 /nfs/dbraw/zinc/11/49/82/576114982.db2.gz YAAADUHIIBXZHH-UHFFFAOYSA-N 1 0 301.353 3.428 10 0 DGAERO CCCCNC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728446678 576183021 /nfs/dbraw/zinc/18/30/21/576183021.db2.gz XGGPWHLKBDVTLP-MRXNPFEDSA-N 1 0 311.539 3.249 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@H](C)COc2ccccc2)c1 ZINC000728783026 576201784 /nfs/dbraw/zinc/20/17/84/576201784.db2.gz XQUVFQSDPIKSKC-CQSZACIVSA-N 1 0 301.386 3.261 10 0 DGAERO CCOCC[N@H+](CC)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000111121200 620674029 /nfs/dbraw/zinc/67/40/29/620674029.db2.gz KVCPMVGYSSZVST-CQSZACIVSA-N 1 0 305.340 3.097 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000154616169 620693690 /nfs/dbraw/zinc/69/36/90/620693690.db2.gz IERBJRHWYLWEMA-NSHDSACASA-N 1 0 306.793 3.129 10 0 DGAERO C[C@@H](O)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135502618 617981295 /nfs/dbraw/zinc/98/12/95/617981295.db2.gz SPEGOHUYRUSNSK-MEBBXXQBSA-N 1 0 318.244 3.120 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ncc[nH]2)cc1C ZINC000888078207 618016380 /nfs/dbraw/zinc/01/63/80/618016380.db2.gz YUPNPLXEHMUFDM-UKPHBRMFSA-N 1 0 315.417 3.155 10 0 DGAERO CCn1nccc1C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000118970875 618042212 /nfs/dbraw/zinc/04/22/12/618042212.db2.gz MWAAWDBCCWKMOY-SFHVURJKSA-N 1 0 312.461 3.047 10 0 DGAERO C[C@@H](CCO)[NH2+][C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000223308635 618624730 /nfs/dbraw/zinc/62/47/30/618624730.db2.gz CLSBMDJIZDLCQE-BLLLJJGKSA-N 1 0 320.433 3.381 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)n1C ZINC000151848111 619043150 /nfs/dbraw/zinc/04/31/50/619043150.db2.gz HFYIWYGDTLWSEV-UHFFFAOYSA-N 1 0 313.445 3.104 10 0 DGAERO c1ncc(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)s1 ZINC000135980058 620583475 /nfs/dbraw/zinc/58/34/75/620583475.db2.gz WCZRQZGPRPWZJX-MRXNPFEDSA-N 1 0 301.459 3.287 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2nccn2C)c(C)o1 ZINC000858007971 621143343 /nfs/dbraw/zinc/14/33/43/621143343.db2.gz HCAVNXHCDOQMSM-JLJPHGGASA-N 1 0 317.433 3.448 10 0 DGAERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000117102320 621351497 /nfs/dbraw/zinc/35/14/97/621351497.db2.gz SBTFYYXWOKJEJJ-AWEZNQCLSA-N 1 0 317.335 3.396 10 0 DGAERO COc1ccccc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117100239 621351588 /nfs/dbraw/zinc/35/15/88/621351588.db2.gz SNRNRXYDMDPICR-INIZCTEOSA-N 1 0 311.381 3.127 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cnc(Cl)c(C)c2)CC1 ZINC000119508354 621679388 /nfs/dbraw/zinc/67/93/88/621679388.db2.gz FNSKIGDEQNCSGR-UHFFFAOYSA-N 1 0 324.856 3.287 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC3(CCCC3)C2)CC1 ZINC000125076951 623301285 /nfs/dbraw/zinc/30/12/85/623301285.db2.gz CYXJIFMTRWQCGB-UHFFFAOYSA-N 1 0 307.482 3.083 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cc(Cl)ccc1Cl ZINC000126745227 624064976 /nfs/dbraw/zinc/06/49/76/624064976.db2.gz VKQCDYZXPHNGHY-KOLCDFICSA-N 1 0 322.257 3.221 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(Cc2cccc(Cl)c2F)no1 ZINC000212452092 625774891 /nfs/dbraw/zinc/77/48/91/625774891.db2.gz UBIAUUPFBLUVMH-QWRGUYRKSA-N 1 0 309.772 3.295 10 0 DGAERO C/C(=C/C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000129976742 625802675 /nfs/dbraw/zinc/80/26/75/625802675.db2.gz CYWLIQXJPQHFRA-SQFISAMPSA-N 1 0 300.446 3.327 10 0 DGAERO Cc1cncc(C(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000132318450 626713610 /nfs/dbraw/zinc/71/36/10/626713610.db2.gz XEWLZLXTQIJMHO-GOSISDBHSA-N 1 0 324.424 3.459 10 0 DGAERO C[C@H](C1CCC1)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757135589 626751099 /nfs/dbraw/zinc/75/10/99/626751099.db2.gz WOBATTHTAMRSEZ-GFCCVEGCSA-N 1 0 305.422 3.470 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000757184777 626753990 /nfs/dbraw/zinc/75/39/90/626753990.db2.gz NPDJSLSBZRNTAZ-CHWSQXEVSA-N 1 0 315.335 3.350 10 0 DGAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000757184779 626754071 /nfs/dbraw/zinc/75/40/71/626754071.db2.gz NPDJSLSBZRNTAZ-OLZOCXBDSA-N 1 0 315.335 3.350 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCCSC(C)(C)C ZINC000133093451 626765914 /nfs/dbraw/zinc/76/59/14/626765914.db2.gz QXEKMQCCIBJREG-AWEZNQCLSA-N 1 0 302.528 3.391 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)nc1 ZINC000134366283 626874738 /nfs/dbraw/zinc/87/47/38/626874738.db2.gz VSSPSYUIERFBOQ-GDBMZVCRSA-N 1 0 319.449 3.173 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000300800029 627281644 /nfs/dbraw/zinc/28/16/44/627281644.db2.gz AGTODIXCXLELNO-KGLIPLIRSA-N 1 0 314.470 3.179 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000300915214 627284493 /nfs/dbraw/zinc/28/44/93/627284493.db2.gz DLLINDYXPLKFJN-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO S=C1OCCN1C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000101536232 629731327 /nfs/dbraw/zinc/73/13/27/629731327.db2.gz BTCMMVFHVDYNNN-MRXNPFEDSA-N 1 0 302.443 3.103 10 0 DGAERO c1csc(CC[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000104058400 630376984 /nfs/dbraw/zinc/37/69/84/630376984.db2.gz ZDZOGEVTDKHLRA-UHFFFAOYSA-N 1 0 312.442 3.213 10 0 DGAERO Cc1ocnc1C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000105762797 631081821 /nfs/dbraw/zinc/08/18/21/631081821.db2.gz CDWBDVWPGDCASE-UHFFFAOYSA-N 1 0 314.385 3.052 10 0 DGAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ccccc2Br)no1 ZINC000109518118 632213425 /nfs/dbraw/zinc/21/34/25/632213425.db2.gz UVOZYDMEULYEHG-NSHDSACASA-N 1 0 310.195 3.025 10 0 DGAERO C[C@@H](CNC(=O)CSC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000110353647 632536886 /nfs/dbraw/zinc/53/68/86/632536886.db2.gz YWJDPCBOPHUAEI-AWEZNQCLSA-N 1 0 308.491 3.155 10 0 DGAERO Cc1cnc([C@H]([NH2+]C[C@@](C)(O)c2ccccc2)C2CC2)s1 ZINC000185344103 660216855 /nfs/dbraw/zinc/21/68/55/660216855.db2.gz URJDQPRAFKLBCP-NVXWUHKLSA-N 1 0 302.443 3.400 10 0 DGAERO COC(C)(C)CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227663294 660333939 /nfs/dbraw/zinc/33/39/39/660333939.db2.gz NTOXAOJXBZXQBY-AWEZNQCLSA-N 1 0 314.470 3.038 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1F ZINC000227752945 660379333 /nfs/dbraw/zinc/37/93/33/660379333.db2.gz MGJMHSRMOWGXHV-SNAWJCMRSA-N 1 0 312.360 3.135 10 0 DGAERO Cc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1C ZINC000227757523 660389479 /nfs/dbraw/zinc/38/94/79/660389479.db2.gz BWXDAUNJUMUMOZ-VOTSOKGWSA-N 1 0 304.434 3.474 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)C(F)(F)F ZINC000358221673 660479235 /nfs/dbraw/zinc/47/92/35/660479235.db2.gz MRVYZRUNXKWXRB-UWVGGRQHSA-N 1 0 311.756 3.390 10 0 DGAERO CC(C)C[C@@H]([NH3+])Cc1nc(Cc2ccc(F)cc2Cl)no1 ZINC000132378216 660490306 /nfs/dbraw/zinc/49/03/06/660490306.db2.gz ZTQHTRJQTDGYCM-GFCCVEGCSA-N 1 0 311.788 3.369 10 0 DGAERO CC(C)C[C@H]([NH3+])Cc1nc(CSc2ccc(F)cc2)no1 ZINC000132424007 660492660 /nfs/dbraw/zinc/49/26/60/660492660.db2.gz ADEGLAJQYBDCME-LBPRGKRZSA-N 1 0 309.410 3.417 10 0 DGAERO COc1cncc(C[NH2+]CCCCOCc2ccccc2)c1 ZINC000700078236 660612169 /nfs/dbraw/zinc/61/21/69/660612169.db2.gz MMKOKNPBQSSYNH-UHFFFAOYSA-N 1 0 300.402 3.177 10 0 DGAERO CCC(F)(F)C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000700201234 660615833 /nfs/dbraw/zinc/61/58/33/660615833.db2.gz CEXBPHBRMIWXEL-NWDGAFQWSA-N 1 0 306.397 3.315 10 0 DGAERO C[C@H](OCc1ccccc1)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000700899244 660644313 /nfs/dbraw/zinc/64/43/13/660644313.db2.gz YCVFBNPVCCSTSX-HNNXBMFYSA-N 1 0 324.424 3.030 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000701732874 660681903 /nfs/dbraw/zinc/68/19/03/660681903.db2.gz HVZGVABFMBCJMV-SLEUVZQESA-N 1 0 318.408 3.315 10 0 DGAERO C[C@@H](Cc1ccco1)[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701865656 660688942 /nfs/dbraw/zinc/68/89/42/660688942.db2.gz UUPMHOITMMQUKD-VNSJNIRKSA-N 1 0 320.433 3.200 10 0 DGAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1nccs1 ZINC000701854682 660690392 /nfs/dbraw/zinc/69/03/92/660690392.db2.gz GIJUYFRJLVRZTF-FZWSLVFFSA-N 1 0 323.462 3.193 10 0 DGAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cscn1 ZINC000701855310 660690512 /nfs/dbraw/zinc/69/05/12/660690512.db2.gz JLDWFDCTJLLECR-FZWSLVFFSA-N 1 0 323.462 3.193 10 0 DGAERO [NH3+][C@H]1CC=C(c2nc(Cc3ccc(Cl)c(Cl)c3)no2)C1 ZINC000702982378 660752171 /nfs/dbraw/zinc/75/21/71/660752171.db2.gz ZTZZBWDQSIDAHK-JTQLQIEISA-N 1 0 310.184 3.472 10 0 DGAERO Cc1cc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)ccn1 ZINC000703509174 660780131 /nfs/dbraw/zinc/78/01/31/660780131.db2.gz XBZXMAZYDQAWGR-UHFFFAOYSA-N 1 0 319.449 3.269 10 0 DGAERO Cc1cc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C)ccn1 ZINC000703508070 660780208 /nfs/dbraw/zinc/78/02/08/660780208.db2.gz KFONSFSXOXLQBX-MRXNPFEDSA-N 1 0 321.465 3.419 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC000704375304 660808433 /nfs/dbraw/zinc/80/84/33/660808433.db2.gz RJVDYFAFJFIROD-WDEREUQCSA-N 1 0 313.829 3.126 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@@H]2CSC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC000704625686 660813972 /nfs/dbraw/zinc/81/39/72/660813972.db2.gz ZCBSZIVJLVFYDE-XJFOESAGSA-N 1 0 314.495 3.116 10 0 DGAERO Oc1cccc(C[NH2+]CC[C@@H]2CCSC2)c1Br ZINC000704845400 660822654 /nfs/dbraw/zinc/82/26/54/660822654.db2.gz MXRKDNWSLJLCKH-SNVBAGLBSA-N 1 0 316.264 3.388 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000705191201 660836837 /nfs/dbraw/zinc/83/68/37/660836837.db2.gz IDIHDKFROYYXGA-BMFZPTHFSA-N 1 0 304.434 3.498 10 0 DGAERO C[C@H]1C[C@H](Nc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000705922938 660839148 /nfs/dbraw/zinc/83/91/48/660839148.db2.gz KXFQYMUYINIWNC-GXSJLCMTSA-N 1 0 324.222 3.485 10 0 DGAERO CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC000705990679 660841515 /nfs/dbraw/zinc/84/15/15/660841515.db2.gz ZVDPCVIRMQEYFD-KKUMJFAQSA-N 1 0 314.470 3.083 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CC1(F)F ZINC000706452768 660856176 /nfs/dbraw/zinc/85/61/76/660856176.db2.gz ZNOSOMIKQKXTDJ-VXGBXAGGSA-N 1 0 304.381 3.021 10 0 DGAERO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000706471776 660860091 /nfs/dbraw/zinc/86/00/91/660860091.db2.gz HIWGOGFXPVXJBO-RLAWYHOSSA-N 1 0 314.495 3.258 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000706555186 660864892 /nfs/dbraw/zinc/86/48/92/660864892.db2.gz HTJYTOKDNMSAOT-JHJVBQTASA-N 1 0 318.408 3.457 10 0 DGAERO CCCC(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000706656461 660867089 /nfs/dbraw/zinc/86/70/89/660867089.db2.gz FPIFZBHTDSKARX-OALUTQOASA-N 1 0 300.446 3.157 10 0 DGAERO CS[C@@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707917097 660915547 /nfs/dbraw/zinc/91/55/47/660915547.db2.gz MHMFETSDWCIMQH-FQUUOJAGSA-N 1 0 314.495 3.116 10 0 DGAERO CSC1CC([NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000708289419 660919842 /nfs/dbraw/zinc/91/98/42/660919842.db2.gz QTOCDEPSZXXXAN-KBHBFKLGSA-N 1 0 314.495 3.116 10 0 DGAERO C[C@H]([NH2+]Cc1cc(Br)nn1C)[C@@]12C[C@@H]1CCCC2 ZINC000708875099 660923693 /nfs/dbraw/zinc/92/36/93/660923693.db2.gz DOYSRRXUZWVFOA-COPLHBTASA-N 1 0 312.255 3.241 10 0 DGAERO C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@]12C[C@H]1CCCC2 ZINC000709082157 660923907 /nfs/dbraw/zinc/92/39/07/660923907.db2.gz DVXRAYOHFDYBQH-JOQOYGCGSA-N 1 0 308.466 3.412 10 0 DGAERO C[C@@H](F)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709317255 660928154 /nfs/dbraw/zinc/92/81/54/660928154.db2.gz MTBKISKXWKVULD-RQJABVFESA-N 1 0 300.418 3.112 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000709485729 660928479 /nfs/dbraw/zinc/92/84/79/660928479.db2.gz WZCSVHUFAUZQEE-GJZGRUSLSA-N 1 0 324.465 3.077 10 0 DGAERO CC1(C)C[NH2+]CC[C@H](NC(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000710466554 660932498 /nfs/dbraw/zinc/93/24/98/660932498.db2.gz ADSNKEAWBQRJBM-MALLOTDXSA-N 1 0 312.866 3.309 10 0 DGAERO [NH3+]Cc1nc2c(s1)CCN([C@H]1CCCc3sccc31)C2 ZINC000710238498 660932676 /nfs/dbraw/zinc/93/26/76/660932676.db2.gz IHVSOMUMPJKCPI-LBPRGKRZSA-N 1 0 305.472 3.099 10 0 DGAERO CN(CCCCCC[NH3+])C(=O)c1ccc(Br)s1 ZINC000710725794 660933814 /nfs/dbraw/zinc/93/38/14/660933814.db2.gz WXMCWVATXYJPGO-UHFFFAOYSA-N 1 0 319.268 3.102 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC000710866162 660935726 /nfs/dbraw/zinc/93/57/26/660935726.db2.gz PXEHSCKXNIFIAJ-UHFFFAOYSA-N 1 0 318.408 3.268 10 0 DGAERO CCC(CC)(C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)SC ZINC000710899745 660936660 /nfs/dbraw/zinc/93/66/60/660936660.db2.gz MPAFPIAYTWSBTP-UHFFFAOYSA-N 1 0 316.511 3.365 10 0 DGAERO C[C@@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)CC(F)(F)F ZINC000710891072 660936774 /nfs/dbraw/zinc/93/67/74/660936774.db2.gz JFXGOQFESMAJCS-SNVBAGLBSA-N 1 0 310.360 3.031 10 0 DGAERO C[C@@H](Cc1ccco1)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711459555 660954082 /nfs/dbraw/zinc/95/40/82/660954082.db2.gz PCHISKOTKVMEAM-HSBZDZAISA-N 1 0 308.422 3.104 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711356096 660948206 /nfs/dbraw/zinc/94/82/06/660948206.db2.gz SBJKRBUDPNLHGB-HIFRSBDPSA-N 1 0 323.234 3.228 10 0 DGAERO C[C@H](C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)CC(F)F ZINC000711404979 660950315 /nfs/dbraw/zinc/95/03/15/660950315.db2.gz NVJDFEOXRAWVLH-UNXYVOJBSA-N 1 0 306.397 3.171 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCC3(CCC3)O2)CC1 ZINC000711408308 660950954 /nfs/dbraw/zinc/95/09/54/660950954.db2.gz ZWJICFZFUMIZOT-OAHLLOKOSA-N 1 0 324.465 3.077 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000187101095 660951559 /nfs/dbraw/zinc/95/15/59/660951559.db2.gz VZLOEAYSFQANPZ-IAQYHMDHSA-N 1 0 306.793 3.128 10 0 DGAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000711448998 660953589 /nfs/dbraw/zinc/95/35/89/660953589.db2.gz UATUEDHNRCGWJZ-IYXRBSQSSA-N 1 0 305.422 3.036 10 0 DGAERO CC[C@@](C)(O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000087011583 660964081 /nfs/dbraw/zinc/96/40/81/660964081.db2.gz AMHOMFXLWMBBMP-TZMCWYRMSA-N 1 0 314.223 3.023 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000711485370 660955105 /nfs/dbraw/zinc/95/51/05/660955105.db2.gz LJQNUMBGWDHTSP-RWMBFGLXSA-N 1 0 318.408 3.315 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCCSC2)C1 ZINC000711491341 660955605 /nfs/dbraw/zinc/95/56/05/660955605.db2.gz MTHZTSJYMBWVAM-MCIONIFRSA-N 1 0 314.495 3.023 10 0 DGAERO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cscc1Cl ZINC000711564882 660957078 /nfs/dbraw/zinc/95/70/78/660957078.db2.gz AUELFUBFSNLEMW-UHFFFAOYSA-N 1 0 306.818 3.453 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000711601463 660959433 /nfs/dbraw/zinc/95/94/33/660959433.db2.gz HIVVCDGSDAFOCY-HIFRSBDPSA-N 1 0 310.850 3.076 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cscn3)CCC[C@H]12 ZINC000711631196 660959840 /nfs/dbraw/zinc/95/98/40/660959840.db2.gz SQNFYHUPLZIQAI-XJKSGUPXSA-N 1 0 323.462 3.165 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3ccoc3)CCC[C@@H]12 ZINC000711628275 660960015 /nfs/dbraw/zinc/96/00/15/660960015.db2.gz XCCMMYIYLOYTDE-RHSMWYFYSA-N 1 0 306.406 3.301 10 0 DGAERO C[C@@H](NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000722598756 655530124 /nfs/dbraw/zinc/53/01/24/655530124.db2.gz ZHGVCYLXURMXEC-GMTAPVOTSA-N 1 0 315.244 3.416 10 0 DGAERO O[C@H](CC[N@@H+]1CCS[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000721411407 655582269 /nfs/dbraw/zinc/58/22/69/655582269.db2.gz OVOULXMHGZYPGB-CHWSQXEVSA-N 1 0 305.365 3.090 10 0 DGAERO CC(C)(C)OC(=O)C1(c2cccc(C(F)(F)F)c2)CC([NH3+])C1 ZINC000757178520 655584230 /nfs/dbraw/zinc/58/42/30/655584230.db2.gz XUWWEKRYWAGZFF-UHFFFAOYSA-N 1 0 315.335 3.406 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)/C=C\c1cccs1 ZINC000255154030 655615011 /nfs/dbraw/zinc/61/50/11/655615011.db2.gz FMYGBDSGUOOQAY-SNGWPZLWSA-N 1 0 314.454 3.050 10 0 DGAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000049948801 655627187 /nfs/dbraw/zinc/62/71/87/655627187.db2.gz OKJYMCJKVBTOMT-KBPBESRZSA-N 1 0 311.809 3.158 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2OC)cc1Br ZINC000049949129 655627375 /nfs/dbraw/zinc/62/73/75/655627375.db2.gz RECVURXCRZOOPJ-JSGCOSHPSA-N 1 0 314.223 3.115 10 0 DGAERO Nc1ncc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000261722949 655666087 /nfs/dbraw/zinc/66/60/87/655666087.db2.gz XABMXOWAKXZWMM-SNVBAGLBSA-N 1 0 305.369 3.280 10 0 DGAERO Clc1ccc(SCc2noc(C[C@H]3CC[NH2+]C3)n2)cc1 ZINC000090244290 655674459 /nfs/dbraw/zinc/67/44/59/655674459.db2.gz RYBXOHVSVDHLDH-SNVBAGLBSA-N 1 0 309.822 3.167 10 0 DGAERO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cnc2ccccn12)c1ccccc1 ZINC000160888510 655691975 /nfs/dbraw/zinc/69/19/75/655691975.db2.gz ATGXNGRFIHXTAR-MJGOQNOKSA-N 1 0 321.424 3.422 10 0 DGAERO C[C@H]1CCC[N@H+](CCNC(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000255335069 655702600 /nfs/dbraw/zinc/70/26/00/655702600.db2.gz IXBONCDLAJLMSS-QWGSZXSUSA-N 1 0 323.440 3.096 10 0 DGAERO CC(C)(C)OCC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724094593 655741520 /nfs/dbraw/zinc/74/15/20/655741520.db2.gz ZZBXDILVFCOBIV-UONOGXRCSA-N 1 0 314.470 3.085 10 0 DGAERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(Cl)c1 ZINC000724314855 655754361 /nfs/dbraw/zinc/75/43/61/655754361.db2.gz QMDYZOMYYUAQFP-KQMXJJGSSA-N 1 0 313.850 3.099 10 0 DGAERO CCOc1ccccc1C[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000051426369 655762683 /nfs/dbraw/zinc/76/26/83/655762683.db2.gz LBZUVLXVARCDQE-QGZVFWFLSA-N 1 0 303.377 3.390 10 0 DGAERO Oc1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1Cl ZINC000043477037 655770345 /nfs/dbraw/zinc/77/03/45/655770345.db2.gz LZLBPKKALKEHGI-UHFFFAOYSA-N 1 0 305.761 3.107 10 0 DGAERO CC[C@](C)(O)C[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000161437409 655797702 /nfs/dbraw/zinc/79/77/02/655797702.db2.gz XCQAMNKDJLDEPB-YOEHRIQHSA-N 1 0 316.486 3.019 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1)c1ccc(Cl)cc1Cl ZINC000724642946 655803090 /nfs/dbraw/zinc/80/30/90/655803090.db2.gz KYKDYMIAVZSQOD-PCVQNBPASA-N 1 0 316.228 3.448 10 0 DGAERO CC[C@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000712471191 661188471 /nfs/dbraw/zinc/18/84/71/661188471.db2.gz QANNRGQIFVSRGF-CMPLNLGQSA-N 1 0 300.244 3.241 10 0 DGAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712477128 661188632 /nfs/dbraw/zinc/18/86/32/661188632.db2.gz RUWTYVBSVFQJGY-JQWIXIFHSA-N 1 0 300.244 3.241 10 0 DGAERO C[C@@H]1CC([NH2+]Cc2cn(C)nc2Br)C[C@@H](C)C1 ZINC000712475671 661188680 /nfs/dbraw/zinc/18/86/80/661188680.db2.gz HPPWCFMRDOOZNY-UWVGGRQHSA-N 1 0 300.244 3.097 10 0 DGAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000713011154 661189784 /nfs/dbraw/zinc/18/97/84/661189784.db2.gz YHTDRMQBWRYLGN-ZDUSSCGKSA-N 1 0 300.805 3.105 10 0 DGAERO CC1(C)C[C@@H]([NH2+]CCc2sccc2Br)CO1 ZINC000713023290 661189861 /nfs/dbraw/zinc/18/98/61/661189861.db2.gz CVQKIRVBYBIWON-SECBINFHSA-N 1 0 304.253 3.210 10 0 DGAERO CC[C@@H]([NH2+]CCc1sccc1Br)[C@@H]1CCOC1 ZINC000713115028 661190199 /nfs/dbraw/zinc/19/01/99/661190199.db2.gz DYBWXVVQRANJRG-ZYHUDNBSSA-N 1 0 318.280 3.458 10 0 DGAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000713109082 661190211 /nfs/dbraw/zinc/19/02/11/661190211.db2.gz BGIGNDPNATYHBR-KGLIPLIRSA-N 1 0 301.496 3.006 10 0 DGAERO Brc1ccsc1CC[NH2+]C[C@@H]1CCC=CO1 ZINC000713081923 661190216 /nfs/dbraw/zinc/19/02/16/661190216.db2.gz OXWXVQMZWVGDAA-JTQLQIEISA-N 1 0 302.237 3.335 10 0 DGAERO C[C@@H]([NH2+]CCc1sccc1Br)c1ccnn1C ZINC000713106124 661190239 /nfs/dbraw/zinc/19/02/39/661190239.db2.gz VQAAMTVPYZVDNN-SECBINFHSA-N 1 0 314.252 3.137 10 0 DGAERO C[C@@H]1CSC[C@H]1[NH2+]CCc1sccc1Br ZINC000713079117 661190255 /nfs/dbraw/zinc/19/02/55/661190255.db2.gz XYJPCTQGMXPRDC-PSASIEDQSA-N 1 0 306.294 3.394 10 0 DGAERO Brc1ccsc1CC[NH2+]Cc1cncs1 ZINC000713077865 661190322 /nfs/dbraw/zinc/19/03/22/661190322.db2.gz DXBHZDHUWXTDPF-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO Brc1ccsc1CC[NH2+]C[C@@H]1CCCOC1 ZINC000713082256 661190330 /nfs/dbraw/zinc/19/03/30/661190330.db2.gz QEDVTWOIXZLPAJ-JTQLQIEISA-N 1 0 304.253 3.069 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713365335 661190926 /nfs/dbraw/zinc/19/09/26/661190926.db2.gz QQWJGTQFYASKPK-GMXABZIVSA-N 1 0 313.228 3.079 10 0 DGAERO COCC1CC([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000713914949 661194503 /nfs/dbraw/zinc/19/45/03/661194503.db2.gz BWCMRQHUROUWFQ-NWHVRFAMSA-N 1 0 310.235 3.451 10 0 DGAERO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cn(C)nc2Br)C1 ZINC000713862014 661194889 /nfs/dbraw/zinc/19/48/89/661194889.db2.gz VKTHALVPFMFZDG-PWSUYJOCSA-N 1 0 300.244 3.193 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)/C(C)=C/c2ccc(F)cc2)CC1 ZINC000176902688 655863292 /nfs/dbraw/zinc/86/32/92/655863292.db2.gz BQWJUHZYYJAWCN-CCEZHUSRSA-N 1 0 318.436 3.467 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000309665717 655871335 /nfs/dbraw/zinc/87/13/35/655871335.db2.gz PGUJPAIVWWEFKX-RTBURBONSA-N 1 0 314.473 3.342 10 0 DGAERO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1Cl ZINC000714249553 661198120 /nfs/dbraw/zinc/19/81/20/661198120.db2.gz IOVNYTOCOGXFRY-FBIMIBRVSA-N 1 0 322.257 3.220 10 0 DGAERO CC[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cccc(Cl)c1 ZINC000714364947 661199434 /nfs/dbraw/zinc/19/94/34/661199434.db2.gz KANRVALLDHKPKW-LSDHHAIUSA-N 1 0 315.866 3.348 10 0 DGAERO CCCC[C@H](COC)[NH2+]Cc1ncc(Br)s1 ZINC000310036791 655889837 /nfs/dbraw/zinc/88/98/37/655889837.db2.gz UOODKSQRPXQVPD-SECBINFHSA-N 1 0 307.257 3.200 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000714622659 661200431 /nfs/dbraw/zinc/20/04/31/661200431.db2.gz AOHUWLBTENYCBY-WDBKCZKBSA-N 1 0 310.235 3.451 10 0 DGAERO C[C@H](c1cccc(F)c1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000095953917 655896945 /nfs/dbraw/zinc/89/69/45/655896945.db2.gz BABBZYJVTYDXKU-CYBMUJFWSA-N 1 0 314.408 3.304 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000714457095 661200644 /nfs/dbraw/zinc/20/06/44/661200644.db2.gz BWCMRQHUROUWFQ-JRPNMDOOSA-N 1 0 310.235 3.451 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000714460473 661201314 /nfs/dbraw/zinc/20/13/14/661201314.db2.gz SMIMZRYAZSXOIA-RIEGTJTDSA-N 1 0 310.235 3.451 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2Br)C1 ZINC000714460866 661201439 /nfs/dbraw/zinc/20/14/39/661201439.db2.gz UKYGIEWTKWGHSV-JGZJWPJOSA-N 1 0 302.187 3.103 10 0 DGAERO COc1ccccc1/C=C(\C(=O)NCC[C@@H](C)[NH3+])c1ccccc1 ZINC000255840136 655910617 /nfs/dbraw/zinc/91/06/17/655910617.db2.gz AKZSFFYYKNQRLN-SULWINFOSA-N 1 0 324.424 3.089 10 0 DGAERO C#CC[N@@H+](CC(=O)N(CC)Cc1ccccc1)C1CCCCC1 ZINC000065960503 655921979 /nfs/dbraw/zinc/92/19/79/655921979.db2.gz MSUCRLCKOIROQM-UHFFFAOYSA-N 1 0 312.457 3.303 10 0 DGAERO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc2c(c1)CCO2 ZINC000178154991 655956481 /nfs/dbraw/zinc/95/64/81/655956481.db2.gz CQBQBYYJMDILEL-CQSZACIVSA-N 1 0 310.397 3.301 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)[C@H](C)NC(=O)OC(C)(C)C ZINC000715705092 661213836 /nfs/dbraw/zinc/21/38/36/661213836.db2.gz YVWGKTKDDXQCOV-MNOVXSKESA-N 1 0 313.829 3.126 10 0 DGAERO O=C(/C=C/c1ccc(Cl)s1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715053543 661207889 /nfs/dbraw/zinc/20/78/89/661207889.db2.gz JDCBFSKGVBVEDZ-YJLKIPLNSA-N 1 0 310.850 3.015 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3CC34CC4)C[C@H]2C1 ZINC000715297547 661210622 /nfs/dbraw/zinc/21/06/22/661210622.db2.gz YXHHNUQASQLETE-AJNGGQMLSA-N 1 0 306.450 3.164 10 0 DGAERO C[C@H](C[NH2+]Cc1cncc2ccccc21)CC1(C)OCCO1 ZINC000715908551 661215600 /nfs/dbraw/zinc/21/56/00/661215600.db2.gz JWHVAZATOWRMEH-AWEZNQCLSA-N 1 0 300.402 3.114 10 0 DGAERO C[C@H](C[NH2+]Cc1ccnc2ccccc12)CC1(C)OCCO1 ZINC000715922229 661215875 /nfs/dbraw/zinc/21/58/75/661215875.db2.gz PXBYRBRMRNBFQO-AWEZNQCLSA-N 1 0 300.402 3.114 10 0 DGAERO CCCn1cc([C@@H](C)[NH2+][C@@H](C)CCOCc2ccccc2)nn1 ZINC000715922223 661215886 /nfs/dbraw/zinc/21/58/86/661215886.db2.gz OKMQHTUQKHVNQO-JKSUJKDBSA-N 1 0 316.449 3.334 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccns1 ZINC000715980560 661217879 /nfs/dbraw/zinc/21/78/79/661217879.db2.gz ZXXQTKCZYRXDFT-GDBMZVCRSA-N 1 0 301.459 3.458 10 0 DGAERO FC(F)SCc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000092616190 656101518 /nfs/dbraw/zinc/10/15/18/656101518.db2.gz ZRFWOIPRHMSQLR-GFCCVEGCSA-N 1 0 316.417 3.406 10 0 DGAERO CCN(c1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1)C(C)C ZINC000182852252 656108471 /nfs/dbraw/zinc/10/84/71/656108471.db2.gz BHMVJRFFTPXHDT-UHFFFAOYSA-N 1 0 320.481 3.337 10 0 DGAERO COc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000309860901 656122813 /nfs/dbraw/zinc/12/28/13/656122813.db2.gz HZWZWTLMCUYIFW-ZDUSSCGKSA-N 1 0 308.422 3.040 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000716886260 661230110 /nfs/dbraw/zinc/23/01/10/661230110.db2.gz OVWRCFFMSSCYFW-GXSJLCMTSA-N 1 0 304.203 3.227 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000312580919 656155397 /nfs/dbraw/zinc/15/53/97/656155397.db2.gz KNQWWAAKEJGGCB-QWRGUYRKSA-N 1 0 305.390 3.376 10 0 DGAERO [NH3+][C@@H]1CN(C[C@@H]2CCCCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000717125898 661250591 /nfs/dbraw/zinc/25/05/91/661250591.db2.gz JNGHMKCDZDVEFG-GARJFASQSA-N 1 0 300.315 3.023 10 0 DGAERO COC[C@H](C)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000187260574 661254815 /nfs/dbraw/zinc/25/48/15/661254815.db2.gz HGBZLSRANYBETB-DYVFJYSZSA-N 1 0 311.853 3.368 10 0 DGAERO [NH3+][C@H]1CN(Cc2c(F)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000717156139 661255906 /nfs/dbraw/zinc/25/59/06/661255906.db2.gz UKHLGSGIGGUBBL-SKDRFNHKSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@@H]1CN(Cc2cccc(Cl)c2F)CC[C@@H]1C(F)(F)F ZINC000717156754 661255956 /nfs/dbraw/zinc/25/59/56/661255956.db2.gz VVQUUKUAOMCTGB-GXSJLCMTSA-N 1 0 310.722 3.191 10 0 DGAERO C[C@@H]1CCCN(C(=O)c2cscc2C(F)F)[C@@H]1CC[NH3+] ZINC000717222073 661257556 /nfs/dbraw/zinc/25/75/56/661257556.db2.gz AVRVXKAFVOBAHX-BXKDBHETSA-N 1 0 302.390 3.275 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Cl)cc(OC)c1O ZINC000248401984 656398885 /nfs/dbraw/zinc/39/88/85/656398885.db2.gz TZQLFMFOHCQWRB-CABCVRRESA-N 1 0 324.852 3.113 10 0 DGAERO CSCC1CCC([NH2+]C[C@]2(OC(C)C)CCOC2)CC1 ZINC000722351856 656490788 /nfs/dbraw/zinc/49/07/88/656490788.db2.gz VZHBDIDXMDJSSJ-UYSNPLJNSA-N 1 0 301.496 3.082 10 0 DGAERO CSc1cc(Br)ccc1C[NH2+][C@@H](C)[C@H](C)O ZINC000336688150 656500645 /nfs/dbraw/zinc/50/06/45/656500645.db2.gz JOACBIMZKGUQDN-IUCAKERBSA-N 1 0 304.253 3.030 10 0 DGAERO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000723954210 656504579 /nfs/dbraw/zinc/50/45/79/656504579.db2.gz XENDNMQFPSDPDS-MDNKFWRPSA-N 1 0 316.489 3.444 10 0 DGAERO CC(C)O[C@@]1(C[NH2+]Cc2ccc(Cl)cc2F)CCOC1 ZINC000722358987 656516869 /nfs/dbraw/zinc/51/68/69/656516869.db2.gz YLLGQDWGXKCFDF-OAHLLOKOSA-N 1 0 301.789 3.153 10 0 DGAERO COCc1csc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000722399144 656660484 /nfs/dbraw/zinc/66/04/84/656660484.db2.gz UXOOWADPMXXGLA-ZYHUDNBSSA-N 1 0 309.353 3.094 10 0 DGAERO CC(C)[C@@](C)(C[NH3+])NCc1ccc(Br)c(F)c1 ZINC000261542988 656906812 /nfs/dbraw/zinc/90/68/12/656906812.db2.gz CNVBCXGCPQGUDT-CYBMUJFWSA-N 1 0 303.219 3.051 10 0 DGAERO c1cn(-c2cc(C[NH2+]Cc3cccc4cc[nH]c43)ccn2)cn1 ZINC000236769066 656957936 /nfs/dbraw/zinc/95/79/36/656957936.db2.gz CVFUREJOOFWHLO-UHFFFAOYSA-N 1 0 303.369 3.038 10 0 DGAERO Cc1oc2ccccc2c1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261724400 657053815 /nfs/dbraw/zinc/05/38/15/657053815.db2.gz NRYNSAYPHQXXDA-SFHVURJKSA-N 1 0 307.397 3.283 10 0 DGAERO COc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1F ZINC000261849717 657136800 /nfs/dbraw/zinc/13/68/00/657136800.db2.gz JIIFEKUZQSGBOG-BLLLJJGKSA-N 1 0 322.424 3.309 10 0 DGAERO C[C@@H]([NH3+])CC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000261855098 657140796 /nfs/dbraw/zinc/14/07/96/657140796.db2.gz PEKHEGCSMRXWPJ-CQSZACIVSA-N 1 0 324.424 3.032 10 0 DGAERO C[NH+](C)CC(C)(C)CNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000126761992 657344635 /nfs/dbraw/zinc/34/46/35/657344635.db2.gz YTNNBZLXWAVLNI-UHFFFAOYSA-N 1 0 319.836 3.206 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000249140907 657392289 /nfs/dbraw/zinc/39/22/89/657392289.db2.gz XWXYRMLSWVKLRT-BSDSXHPESA-N 1 0 319.445 3.396 10 0 DGAERO Clc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000249287409 657395903 /nfs/dbraw/zinc/39/59/03/657395903.db2.gz PVQHLBGTJIBJOD-AWEZNQCLSA-N 1 0 301.821 3.168 10 0 DGAERO c1nn(-c2ccccc2)nc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000303029209 657508759 /nfs/dbraw/zinc/50/87/59/657508759.db2.gz WUBZONWYOFPPSD-QGZVFWFLSA-N 1 0 304.397 3.257 10 0 DGAERO CCC[NH+]1CCN(c2nc(CC)nc3sc(C)cc32)CC1 ZINC000096205052 657512737 /nfs/dbraw/zinc/51/27/37/657512737.db2.gz WGPVPGBOAJTHNO-UHFFFAOYSA-N 1 0 304.463 3.094 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)s1 ZINC000251584821 657523098 /nfs/dbraw/zinc/52/30/98/657523098.db2.gz WSRDSLSIVGNSGP-GARJFASQSA-N 1 0 300.855 3.344 10 0 DGAERO COc1ccc(C)cc1C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000304262688 657615965 /nfs/dbraw/zinc/61/59/65/657615965.db2.gz JISJIUBBMVXRCQ-AWEZNQCLSA-N 1 0 322.449 3.349 10 0 DGAERO CCOc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000304262757 657616150 /nfs/dbraw/zinc/61/61/50/657616150.db2.gz JJNPBMOEARQZOR-CQSZACIVSA-N 1 0 322.449 3.430 10 0 DGAERO O=C(C[NH+]1CCCCCCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000097472458 657640346 /nfs/dbraw/zinc/64/03/46/657640346.db2.gz XVZUOVSRIXFDAU-CYBMUJFWSA-N 1 0 306.372 3.053 10 0 DGAERO Cn1cc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c(Br)n1 ZINC000720652082 658053504 /nfs/dbraw/zinc/05/35/04/658053504.db2.gz FQPPYLOHRKFQQA-YPMHNXCESA-N 1 0 312.255 3.241 10 0 DGAERO Cc1ccc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000720844694 658148512 /nfs/dbraw/zinc/14/85/12/658148512.db2.gz MORMUTVYPFAJPZ-NEPJUHHUSA-N 1 0 306.759 3.217 10 0 DGAERO [NH3+][C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000720846073 658148772 /nfs/dbraw/zinc/14/87/72/658148772.db2.gz ABDQSGZNQIMZFG-LDYMZIIASA-N 1 0 313.150 3.315 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@@H]1C(F)(F)F ZINC000720846442 658148779 /nfs/dbraw/zinc/14/87/79/658148779.db2.gz VAMKFZLGHIEZFN-KOLCDFICSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@H]1C(F)(F)F ZINC000720845539 658148853 /nfs/dbraw/zinc/14/88/53/658148853.db2.gz RFQDPCBFAAQXSQ-VHSXEESVSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2cc(F)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000720878781 658154356 /nfs/dbraw/zinc/15/43/56/658154356.db2.gz UBVFAGHVBNOIIL-CABZTGNLSA-N 1 0 310.722 3.048 10 0 DGAERO C[C@H](c1cccc(Cl)c1)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878789 658154887 /nfs/dbraw/zinc/15/48/87/658154887.db2.gz UDGICWMWFZCLTN-IRUJWGPZSA-N 1 0 306.759 3.470 10 0 DGAERO CCO[C@H]1CCC[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)C1 ZINC000721159814 658574126 /nfs/dbraw/zinc/57/41/26/658574126.db2.gz NDNDXWCFUOQILJ-UWVGGRQHSA-N 1 0 305.287 3.095 10 0 DGAERO CCO[C@@H]1CCC[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)C1 ZINC000721159815 658574293 /nfs/dbraw/zinc/57/42/93/658574293.db2.gz NDNDXWCFUOQILJ-VHSXEESVSA-N 1 0 305.287 3.095 10 0 DGAERO O[C@H](CC[NH2+]CCc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000722108496 658775306 /nfs/dbraw/zinc/77/53/06/658775306.db2.gz OQWARMDLNQPUPQ-LLVKDONJSA-N 1 0 316.150 3.439 10 0 DGAERO CC[S@@](=O)CC[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000166053967 658825956 /nfs/dbraw/zinc/82/59/56/658825956.db2.gz MAYBLLCAQPGRPM-NQIIRXRSSA-N 1 0 301.455 3.443 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CC12CCC2)COc1c(Cl)cccc1Cl ZINC000721242045 658894203 /nfs/dbraw/zinc/89/42/03/658894203.db2.gz DGEIJNSWPTWNOD-ZWNOBZJWSA-N 1 0 316.228 3.265 10 0 DGAERO C[NH+]1CCC(NC(=O)c2ccccc2Cc2cccs2)CC1 ZINC000222786678 658945816 /nfs/dbraw/zinc/94/58/16/658945816.db2.gz JFXJSGRIAUMJAP-UHFFFAOYSA-N 1 0 314.454 3.163 10 0 DGAERO COc1c2c(sc1C(=O)N[C@@H](C)CCC[NH+](C)C)CCCC2 ZINC000223466126 658980646 /nfs/dbraw/zinc/98/06/46/658980646.db2.gz HGJOPZSGFVVSSX-LBPRGKRZSA-N 1 0 324.490 3.096 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccsc2)C12CCCCC2 ZINC000224672921 659024785 /nfs/dbraw/zinc/02/47/85/659024785.db2.gz OYMWWFHQZIBCNQ-OWCLPIDISA-N 1 0 309.475 3.499 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)C1(C)C ZINC000224724971 659027915 /nfs/dbraw/zinc/02/79/15/659027915.db2.gz OTUHUOXNDDWULQ-HZSPNIEDSA-N 1 0 314.470 3.083 10 0 DGAERO Cc1cc(N[C@H](C)c2ccc(Br)cc2)nc(N)[nH+]1 ZINC000045724100 659036757 /nfs/dbraw/zinc/03/67/57/659036757.db2.gz KXKXYZYPZHYSGY-SECBINFHSA-N 1 0 307.195 3.303 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(C)c1O ZINC000225883586 659086648 /nfs/dbraw/zinc/08/66/48/659086648.db2.gz NIJZEYLHLQDSJB-OAHLLOKOSA-N 1 0 320.433 3.108 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C/C=C/CNC(=O)OC(C)(C)C)C12CCC2 ZINC000227760975 659163870 /nfs/dbraw/zinc/16/38/70/659163870.db2.gz SRWKUJOOKLEDDK-MFHOCJEASA-N 1 0 324.465 3.005 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000229072930 659234722 /nfs/dbraw/zinc/23/47/22/659234722.db2.gz OVDGYWWZRFNVFZ-HOTGVXAUSA-N 1 0 304.434 3.470 10 0 DGAERO CSCCCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000229245247 659247793 /nfs/dbraw/zinc/24/77/93/659247793.db2.gz RUBWXLAOTDVNBH-CYBMUJFWSA-N 1 0 318.280 3.215 10 0 DGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC000171573383 659288966 /nfs/dbraw/zinc/28/89/66/659288966.db2.gz RCTWAOWLPWYPCJ-PWSUYJOCSA-N 1 0 314.401 3.087 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2OC)c1 ZINC000087788083 659319545 /nfs/dbraw/zinc/31/95/45/659319545.db2.gz HAGDLHNWRKKYPE-KGLIPLIRSA-N 1 0 314.223 3.115 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@H]2OC)c1 ZINC000087788090 659319603 /nfs/dbraw/zinc/31/96/03/659319603.db2.gz HAGDLHNWRKKYPE-UONOGXRCSA-N 1 0 314.223 3.115 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+]CC[C@@H]1CCCO1)C(C)(C)C ZINC000230972815 659361619 /nfs/dbraw/zinc/36/16/19/659361619.db2.gz AHTLXAFUBIBFND-AWEZNQCLSA-N 1 0 314.470 3.181 10 0 DGAERO C[C@@H]1CC[C@@H](CCC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000174210092 659420045 /nfs/dbraw/zinc/42/00/45/659420045.db2.gz VLCFBCFHHDIQNU-BPQIPLTHSA-N 1 0 317.429 3.152 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCSC(C)(C)C ZINC000245537876 659511790 /nfs/dbraw/zinc/51/17/90/659511790.db2.gz IWYBDABLJKHKEF-GJZGRUSLSA-N 1 0 312.523 3.384 10 0 DGAERO C[C@@H]1[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)CCN1Cc1ccccc1 ZINC000352519969 659900577 /nfs/dbraw/zinc/90/05/77/659900577.db2.gz TZSVUJLYLZQODA-OLMNPRSZSA-N 1 0 310.445 3.040 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3n[nH]cc32)CCN1Cc1ccccc1 ZINC000352519968 659900655 /nfs/dbraw/zinc/90/06/55/659900655.db2.gz TZSVUJLYLZQODA-JLSDUUJJSA-N 1 0 310.445 3.040 10 0 DGAERO C[C@H]1C[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCS1 ZINC000179607492 659935158 /nfs/dbraw/zinc/93/51/58/659935158.db2.gz YFHOAQHJHCBWLA-FZMZJTMJSA-N 1 0 310.850 3.270 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000170858716 659937208 /nfs/dbraw/zinc/93/72/08/659937208.db2.gz MKRKKKNKHSYZRJ-SNVBAGLBSA-N 1 0 308.834 3.331 10 0 DGAERO CCCCCCOCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180194470 659954951 /nfs/dbraw/zinc/95/49/51/659954951.db2.gz OMXHMBQWEKWMFZ-IEBWSBKVSA-N 1 0 318.461 3.145 10 0 DGAERO O=C(NNc1cc[nH+]cc1)c1ncoc1-c1ccccc1Cl ZINC000180499182 659963929 /nfs/dbraw/zinc/96/39/29/659963929.db2.gz HDCFRQYGRQZIGU-UHFFFAOYSA-N 1 0 314.732 3.147 10 0 DGAERO C[C@H](CC[NH2+][C@H]1CC(C)(C)OC1(C)C)NC(=O)OC(C)(C)C ZINC000180516927 659964641 /nfs/dbraw/zinc/96/46/41/659964641.db2.gz GWKFIQOCHRFHAT-OLZOCXBDSA-N 1 0 314.470 3.225 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000180642686 659967339 /nfs/dbraw/zinc/96/73/39/659967339.db2.gz DJIZFFQJEJSULA-LNSITVRQSA-N 1 0 322.453 3.062 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CN1Cc1ccccc1 ZINC000353393776 659973952 /nfs/dbraw/zinc/97/39/52/659973952.db2.gz KDABKJSBIFBQEW-UWWQBHOKSA-N 1 0 310.445 3.040 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)CCC2 ZINC000353504174 659991082 /nfs/dbraw/zinc/99/10/82/659991082.db2.gz QORPXNVUYQJSFM-MJGOQNOKSA-N 1 0 324.472 3.431 10 0 DGAERO Brc1ccccc1CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353519593 659995122 /nfs/dbraw/zinc/99/51/22/659995122.db2.gz MUCJRMIBVCUXDE-CQSZACIVSA-N 1 0 320.234 3.382 10 0 DGAERO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(Cl)nc1 ZINC000181583299 660009789 /nfs/dbraw/zinc/00/97/89/660009789.db2.gz YZQRLNFJTYVSHD-QMMMGPOBSA-N 1 0 318.730 3.338 10 0 DGAERO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CN1CCOC1=S ZINC000069689679 660015397 /nfs/dbraw/zinc/01/53/97/660015397.db2.gz ZXXRKBGTNQLJKY-HZPDHXFCSA-N 1 0 304.459 3.219 10 0 DGAERO C[C@@H]1CN(CCOc2c(Cl)cccc2Cl)C[C@@H](C)[NH2+]1 ZINC000070077093 660036779 /nfs/dbraw/zinc/03/67/79/660036779.db2.gz QASPFTVCCCTHRK-GHMZBOCLSA-N 1 0 303.233 3.054 10 0 DGAERO CC[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1c(C)noc1C ZINC000182404793 660051177 /nfs/dbraw/zinc/05/11/77/660051177.db2.gz UPOCXWJKTYOHRS-GJZGRUSLSA-N 1 0 310.344 3.344 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1 ZINC000182676883 660070621 /nfs/dbraw/zinc/07/06/21/660070621.db2.gz OXGXUOZUMAQMGL-LIRRHRJNSA-N 1 0 317.404 3.435 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@H](C)C[C@H](O)c2ccco2)cc1 ZINC000182677922 660071162 /nfs/dbraw/zinc/07/11/62/660071162.db2.gz KDIBJONGGSRKQR-CPUCHLNUSA-N 1 0 303.402 3.494 10 0 DGAERO CC[C@H]1C[C@@H](C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000183158587 660103098 /nfs/dbraw/zinc/10/30/98/660103098.db2.gz LTBQFZKLACABAQ-OKZBNKHCSA-N 1 0 317.429 3.009 10 0 DGAERO CC(C)OCCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183191538 660104241 /nfs/dbraw/zinc/10/42/41/660104241.db2.gz FZQPWOPLVKRHPJ-QGZVFWFLSA-N 1 0 305.418 3.009 10 0 DGAERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000183634652 660128261 /nfs/dbraw/zinc/12/82/61/660128261.db2.gz PWEAVAJATHAATD-DOMZBBRYSA-N 1 0 304.346 3.098 10 0 DGAERO O=C(NC1CC1)C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000071907792 660156189 /nfs/dbraw/zinc/15/61/89/660156189.db2.gz OWGPSLDECBYZNL-UHFFFAOYSA-N 1 0 322.452 3.373 10 0 DGAERO Cc1cccc(OCC[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000042896545 661842521 /nfs/dbraw/zinc/84/25/21/661842521.db2.gz ZHTWSKXCBKGTTL-KRWDZBQOSA-N 1 0 305.805 3.350 10 0 DGAERO FC(F)(F)c1ccccc1-c1csc(N2CC[NH2+]CC2)n1 ZINC000044494170 661861987 /nfs/dbraw/zinc/86/19/87/661861987.db2.gz ZROWJFILINISNK-UHFFFAOYSA-N 1 0 313.348 3.239 10 0 DGAERO CCC(C)(CC)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000158923496 661880506 /nfs/dbraw/zinc/88/05/06/661880506.db2.gz KYMSDVXPQWJKOR-IYBDPMFKSA-N 1 0 324.509 3.161 10 0 DGAERO COCc1cc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)ccc1OC ZINC000187845458 661905341 /nfs/dbraw/zinc/90/53/41/661905341.db2.gz SPLGWTYWBWWOTJ-BBRMVZONSA-N 1 0 307.434 3.450 10 0 DGAERO Fc1ccc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000189017087 661959086 /nfs/dbraw/zinc/95/90/86/661959086.db2.gz OQSDERGNOSJBCC-SFHVURJKSA-N 1 0 313.420 3.365 10 0 DGAERO Fc1ccc(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000189017066 661959241 /nfs/dbraw/zinc/95/92/41/661959241.db2.gz OQSDERGNOSJBCC-GOSISDBHSA-N 1 0 313.420 3.365 10 0 DGAERO C[C@@H](O)c1cccc(OCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000189312620 661973775 /nfs/dbraw/zinc/97/37/75/661973775.db2.gz YBLKSRSEKGYLQV-CQSZACIVSA-N 1 0 303.377 3.390 10 0 DGAERO CC1(C)[C@H]([NH2+]CC2(C)OCCCO2)C[C@H]1OCc1ccccc1 ZINC000190658321 662039894 /nfs/dbraw/zinc/03/98/94/662039894.db2.gz ZWDXBWZFJKTXHO-IAGOWNOFSA-N 1 0 319.445 3.113 10 0 DGAERO Fc1ccc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)cn1 ZINC000191106910 662054445 /nfs/dbraw/zinc/05/44/45/662054445.db2.gz QGQAYIVSPIPOFQ-UHFFFAOYSA-N 1 0 319.811 3.022 10 0 DGAERO C=C[C@@](C)(CCOC)COC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000191173131 662056160 /nfs/dbraw/zinc/05/61/60/662056160.db2.gz WKOUOSUIZNAXQD-WMZOPIPTSA-N 1 0 311.466 3.269 10 0 DGAERO CC(=O)CC(C)(C)CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192432942 662098265 /nfs/dbraw/zinc/09/82/65/662098265.db2.gz BRNHLJZHSVMPAT-KRWDZBQOSA-N 1 0 317.429 3.200 10 0 DGAERO O=C(N[C@H]1CCCc2cc(F)ccc21)C1CC[NH+](C2CC2)CC1 ZINC000192796172 662111406 /nfs/dbraw/zinc/11/14/06/662111406.db2.gz UICLDHBCDAABMS-SFHVURJKSA-N 1 0 316.420 3.194 10 0 DGAERO c1ccc2c(c1)CC[C@@H]([NH2+]CC1CCC3(CC1)OCCO3)C2 ZINC000193379246 662132116 /nfs/dbraw/zinc/13/21/16/662132116.db2.gz MLADIMBHWJNKSY-GOSISDBHSA-N 1 0 301.430 3.067 10 0 DGAERO O=C(/C=C/c1ccccc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195090309 662178019 /nfs/dbraw/zinc/17/80/19/662178019.db2.gz YFALVSNRHQPRDQ-XVJNWHFHSA-N 1 0 304.821 3.050 10 0 DGAERO CC(C)n1ncc2cc(C[NH2+]CCSC(F)(F)F)cnc21 ZINC000195146112 662179019 /nfs/dbraw/zinc/17/90/19/662179019.db2.gz ZLLMDEKQANNMKA-UHFFFAOYSA-N 1 0 318.368 3.355 10 0 DGAERO CCCCCCNC(=O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000195329992 662185005 /nfs/dbraw/zinc/18/50/05/662185005.db2.gz DFPLFYMRUMXVER-HNNXBMFYSA-N 1 0 323.506 3.327 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(C(F)(F)F)s1 ZINC000717924861 662205511 /nfs/dbraw/zinc/20/55/11/662205511.db2.gz VXCFKWSGGPDXRQ-BDAKNGLRSA-N 1 0 306.353 3.086 10 0 DGAERO CO[C@]1(C[NH2+][C@H](C)c2ccc(C(F)(F)F)s2)CCOC1 ZINC000717934390 662207053 /nfs/dbraw/zinc/20/70/53/662207053.db2.gz DNSDVOSKEYZHDY-SKDRFNHKSA-N 1 0 309.353 3.223 10 0 DGAERO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717946678 662211897 /nfs/dbraw/zinc/21/18/97/662211897.db2.gz SXFJKBSLNRYGJV-BXKDBHETSA-N 1 0 311.369 3.205 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(C(F)(F)F)s1 ZINC000717967463 662213572 /nfs/dbraw/zinc/21/35/72/662213572.db2.gz JGKRYYKLQJHSQK-CIUDSAMLSA-N 1 0 306.353 3.085 10 0 DGAERO Cc1nc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)sc1Br ZINC000719242070 662271841 /nfs/dbraw/zinc/27/18/41/662271841.db2.gz WPJQOKDUQWRQDM-WPRPVWTQSA-N 1 0 319.268 3.119 10 0 DGAERO Cc1coc(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000718059483 662216443 /nfs/dbraw/zinc/21/64/43/662216443.db2.gz UPPBEOLRZMNRFS-HNNXBMFYSA-N 1 0 320.433 3.467 10 0 DGAERO [NH3+]C1CC(CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000718103288 662221804 /nfs/dbraw/zinc/22/18/04/662221804.db2.gz LJNWKPLAPOICGK-UHFFFAOYSA-N 1 0 322.452 3.385 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(Cc2c(F)cccc2Cl)no1 ZINC000089431259 662243691 /nfs/dbraw/zinc/24/36/91/662243691.db2.gz GYMPXSHSONTSGN-VHSXEESVSA-N 1 0 309.772 3.295 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C3OCCO3)cc2)CC1 ZINC000718328796 662252653 /nfs/dbraw/zinc/25/26/53/662252653.db2.gz KJCMMYKTJRQGSC-IAGOWNOFSA-N 1 0 305.418 3.169 10 0 DGAERO O[C@H](C[NH2+]CCc1ccccc1)c1cccc(Br)c1 ZINC000037860041 662259781 /nfs/dbraw/zinc/25/97/81/662259781.db2.gz OJOJEFOXLDBDEX-MRXNPFEDSA-N 1 0 320.230 3.315 10 0 DGAERO COCC(C)(C)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000718718326 662260422 /nfs/dbraw/zinc/26/04/22/662260422.db2.gz UGOPIEOBTGWHOV-UHFFFAOYSA-N 1 0 314.470 3.038 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000718771773 662261798 /nfs/dbraw/zinc/26/17/98/662261798.db2.gz AVEIVXBOTGMOLE-QXAKKESOSA-N 1 0 304.478 3.444 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)sc1Br ZINC000719312267 662273379 /nfs/dbraw/zinc/27/33/79/662273379.db2.gz ZIQVJNMRXXTBCU-OPRDCNLKSA-N 1 0 301.253 3.492 10 0 DGAERO CO[C@]1(C[NH2+]Cc2cscc2Br)CCSC1 ZINC000719303133 662273590 /nfs/dbraw/zinc/27/35/90/662273590.db2.gz QTLXQNAHHMAGMH-NSHDSACASA-N 1 0 322.293 3.122 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)sc1Br ZINC000719305123 662273947 /nfs/dbraw/zinc/27/39/47/662273947.db2.gz MGBUKXNVUGJYMR-JEZHCXPESA-N 1 0 319.268 3.117 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CCOC(C)(C)C2)sc1Br ZINC000719325980 662274020 /nfs/dbraw/zinc/27/40/20/662274020.db2.gz FKOIYXRAGCDGDP-VIFPVBQESA-N 1 0 319.268 3.261 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)sc1Br ZINC000719305121 662274100 /nfs/dbraw/zinc/27/41/00/662274100.db2.gz MGBUKXNVUGJYMR-HGNGGELXSA-N 1 0 319.268 3.117 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(Cl)c1Br ZINC000719460246 662288914 /nfs/dbraw/zinc/28/89/14/662288914.db2.gz IBPCTSDOOMUIAY-GZMMTYOYSA-N 1 0 304.615 3.370 10 0 DGAERO COC(OC)[C@H](C)[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719606944 662294457 /nfs/dbraw/zinc/29/44/57/662294457.db2.gz IBYOEGSIZKJHIW-NSHDSACASA-N 1 0 316.239 3.163 10 0 DGAERO C[NH2+]CCCCC(=O)N[C@H](C)c1ccccc1Br ZINC000719746068 662296523 /nfs/dbraw/zinc/29/65/23/662296523.db2.gz XNAXLRXXUHKUDG-LLVKDONJSA-N 1 0 313.239 3.016 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccns1 ZINC000719908523 662299456 /nfs/dbraw/zinc/29/94/56/662299456.db2.gz QROLCGLRXNEEEZ-YJBOKZPZSA-N 1 0 315.486 3.186 10 0 DGAERO CCCn1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cn1 ZINC000247297765 662306871 /nfs/dbraw/zinc/30/68/71/662306871.db2.gz ZNJVHQOQBUIMAF-JKSUJKDBSA-N 1 0 319.474 3.443 10 0 DGAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)C12CCCC2 ZINC000248837129 662360519 /nfs/dbraw/zinc/36/05/19/662360519.db2.gz KHOFYHBNRZEGIH-BZUAXINKSA-N 1 0 321.461 3.142 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000248842460 662360564 /nfs/dbraw/zinc/36/05/64/662360564.db2.gz LYODZWIWBWYECK-DOTOQJQBSA-N 1 0 301.430 3.344 10 0 DGAERO Cn1ncc(Br)c1CNc1ccc2c([nH+]1)CCCC2 ZINC000712336203 685275325 /nfs/dbraw/zinc/27/53/25/685275325.db2.gz LPLSOSVZSIMZSF-UHFFFAOYSA-N 1 0 321.222 3.069 10 0 DGAERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137127286 685072025 /nfs/dbraw/zinc/07/20/25/685072025.db2.gz ALFDXHAXCMPEHF-MRVPVSSYSA-N 1 0 322.630 3.200 10 0 DGAERO C[C@@H](C[NH2+]Cc1cncc2ccccc21)NC(=O)OC(C)(C)C ZINC000227682377 685118455 /nfs/dbraw/zinc/11/84/55/685118455.db2.gz FGMHUTVGLJYHKV-ZDUSSCGKSA-N 1 0 315.417 3.238 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379654776 685148892 /nfs/dbraw/zinc/14/88/92/685148892.db2.gz JPIKEASACYKFMY-OQIJWPOYSA-N 1 0 302.462 3.197 10 0 DGAERO CC(C)CNC(=S)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379705130 685149172 /nfs/dbraw/zinc/14/91/72/685149172.db2.gz MWQVZEUPSNEDSC-QGZVFWFLSA-N 1 0 319.518 3.161 10 0 DGAERO CC(C)n1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000381050582 685154602 /nfs/dbraw/zinc/15/46/02/685154602.db2.gz GYBVNWUUEYLKFC-QFBILLFUSA-N 1 0 312.461 3.217 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1nc(Cl)c(C#N)s1 ZINC000381093728 685155214 /nfs/dbraw/zinc/15/52/14/685155214.db2.gz XKQONPAMVGIBBD-NSHDSACASA-N 1 0 320.849 3.022 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381528493 685157801 /nfs/dbraw/zinc/15/78/01/685157801.db2.gz ZUCZSMACTHAHLV-MNOVXSKESA-N 1 0 314.376 3.356 10 0 DGAERO C[C@@H]([NH2+]Cc1nc(Br)c[nH]1)[C@@H]1CC2CCC1CC2 ZINC000381594804 685159145 /nfs/dbraw/zinc/15/91/45/685159145.db2.gz FEYHGTDFUDFWOA-YYJSSNLHSA-N 1 0 312.255 3.477 10 0 DGAERO COc1ccc(C)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000381771374 685159502 /nfs/dbraw/zinc/15/95/02/685159502.db2.gz PXMKJRPDVLBYPD-KGLIPLIRSA-N 1 0 322.449 3.395 10 0 DGAERO COc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381906013 685160812 /nfs/dbraw/zinc/16/08/12/685160812.db2.gz ISUAUYLZVIFUTD-WAYWQWQTSA-N 1 0 324.396 3.005 10 0 DGAERO C[C@H]1CSC[C@H]1[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000382075856 685162258 /nfs/dbraw/zinc/16/22/58/685162258.db2.gz UEGFXBNRUMFWFA-GXTWGEPZSA-N 1 0 314.495 3.117 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000382451067 685163213 /nfs/dbraw/zinc/16/32/13/685163213.db2.gz MTXCZYPGLAHDTE-MJBXVCDLSA-N 1 0 314.470 3.225 10 0 DGAERO CSCCCC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000382405592 685163504 /nfs/dbraw/zinc/16/35/04/685163504.db2.gz ANLWEWGDIJVXSL-ZIAGYGMSSA-N 1 0 316.511 3.413 10 0 DGAERO CC[C@]1([NH2+]Cc2ccc(Br)c(F)c2)CCOC1 ZINC000383154013 685165800 /nfs/dbraw/zinc/16/58/00/685165800.db2.gz CRYXUJBPCBAMAV-ZDUSSCGKSA-N 1 0 302.187 3.247 10 0 DGAERO CN(CC[C@H](O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383574725 685167870 /nfs/dbraw/zinc/16/78/70/685167870.db2.gz KSPCXOGQTTXNMP-SFTDATJTSA-N 1 0 324.468 3.316 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000397797107 685232460 /nfs/dbraw/zinc/23/24/60/685232460.db2.gz CZIYPENHWCOOCN-KRWDZBQOSA-N 1 0 316.445 3.000 10 0 DGAERO CC1=C[C@@H](C)C[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000397859684 685233072 /nfs/dbraw/zinc/23/30/72/685233072.db2.gz WXBKRGJQQMDXLI-HIFRSBDPSA-N 1 0 308.466 3.435 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)o1 ZINC000398966848 685238124 /nfs/dbraw/zinc/23/81/24/685238124.db2.gz RTMFMYAYPULIEK-FZMZJTMJSA-N 1 0 323.437 3.169 10 0 DGAERO CC(C)[C@H](C[NH2+]C1CCCCC1)ONC(=O)OC(C)(C)C ZINC000398827643 1176035317 /nfs/dbraw/zinc/03/53/17/1176035317.db2.gz CLHUNQIWUCEXTJ-AWEZNQCLSA-N 1 0 300.443 3.390 10 0 DGAERO c1nc2ccccc2n1CCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000083998714 1176343803 /nfs/dbraw/zinc/34/38/03/1176343803.db2.gz MPLLAUKGELMSBU-UHFFFAOYSA-N 1 0 305.385 3.093 10 0 DGAERO C[C@H]1CCC[C@H]([NH2+]Cc2nn(C)cc2Br)CC1 ZINC000393319583 1176599511 /nfs/dbraw/zinc/59/95/11/1176599511.db2.gz DQOVXIUCIOSVSG-QWRGUYRKSA-N 1 0 300.244 3.241 10 0 DGAERO CC[C@@H]1CCC[C@H](C[NH2+]Cc2nn(C)cc2Br)C1 ZINC000394609262 1176751629 /nfs/dbraw/zinc/75/16/29/1176751629.db2.gz INYMCICICYUXTD-NEPJUHHUSA-N 1 0 314.271 3.489 10 0 DGAERO COc1ccccc1C[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397748849 1176779396 /nfs/dbraw/zinc/77/93/96/1176779396.db2.gz AKUYMYNFAYGVOP-UHFFFAOYSA-N 1 0 308.422 3.090 10 0 DGAERO COC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397829202 1176780436 /nfs/dbraw/zinc/78/04/36/1176780436.db2.gz MHBNWLARZWQEGS-QWHCGFSZSA-N 1 0 314.470 3.083 10 0 DGAERO CCCCNC(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398137024 1176783929 /nfs/dbraw/zinc/78/39/29/1176783929.db2.gz HOVFHAIPIRCHGN-QGZVFWFLSA-N 1 0 305.466 3.242 10 0 DGAERO Cc1noc(C)c1CNCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379650421 1176802431 /nfs/dbraw/zinc/80/24/31/1176802431.db2.gz RTPXMODOTXZCOR-CQSZACIVSA-N 1 0 301.434 3.292 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1cc(F)ccc1Br ZINC000398536094 1177026618 /nfs/dbraw/zinc/02/66/18/1177026618.db2.gz ZFRUFTMULMGFFS-LBPRGKRZSA-N 1 0 304.203 3.229 10 0 DGAERO CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)ONC(=O)OC(C)(C)C ZINC000398708305 1177028223 /nfs/dbraw/zinc/02/82/23/1177028223.db2.gz UMTMLWBZRZBNPT-MCIONIFRSA-N 1 0 300.443 3.246 10 0 DGAERO CC(C)[C@@H](C[NH2+][C@H]1CC[C@@H](C)C1)ONC(=O)OC(C)(C)C ZINC000398708304 1177028403 /nfs/dbraw/zinc/02/84/03/1177028403.db2.gz UMTMLWBZRZBNPT-HZSPNIEDSA-N 1 0 300.443 3.246 10 0 DGAERO O=C(Nc1ccc2cc[nH]c2c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000333011069 1177199546 /nfs/dbraw/zinc/19/95/46/1177199546.db2.gz FVTYPWKAGTVAMT-MRXNPFEDSA-N 1 0 312.417 3.260 10 0 DGAERO CC[C@H](C)[C@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000381112237 1177336695 /nfs/dbraw/zinc/33/66/95/1177336695.db2.gz CGTTXALLXAOERF-KKUMJFAQSA-N 1 0 316.486 3.331 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1F ZINC000085355935 1177644761 /nfs/dbraw/zinc/64/47/61/1177644761.db2.gz WFVOVLIBGBSLPK-ONGXEEELSA-N 1 0 315.186 3.044 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1F ZINC000085355937 1177644848 /nfs/dbraw/zinc/64/48/48/1177644848.db2.gz WFVOVLIBGBSLPK-MWLCHTKSSA-N 1 0 315.186 3.044 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1Br ZINC000085375307 1177713959 /nfs/dbraw/zinc/71/39/59/1177713959.db2.gz WXYODLUQRFHBLE-YPMHNXCESA-N 1 0 311.223 3.214 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000085374800 1177714012 /nfs/dbraw/zinc/71/40/12/1177714012.db2.gz MIXFAWZTTMWUAZ-ONGXEEELSA-N 1 0 304.287 3.301 10 0 DGAERO C=CC[NH+](CC=C)[C@H](CNC(=O)CSC(F)(F)F)C(C)C ZINC000042393680 1194173511 /nfs/dbraw/zinc/17/35/11/1194173511.db2.gz NIACPRURKWIBCQ-GFCCVEGCSA-N 1 0 324.412 3.054 10 0 DGAERO CN1CCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000044562151 1194287346 /nfs/dbraw/zinc/28/73/46/1194287346.db2.gz OQHCIBIELOFJTP-ZDUSSCGKSA-N 1 0 315.230 3.162 10 0 DGAERO CC(=O)c1cccc(NC(=O)C2CC[NH+](CC(C)C)CC2)c1 ZINC000047410499 1194411792 /nfs/dbraw/zinc/41/17/92/1194411792.db2.gz GLWRIKKOZBCGTE-UHFFFAOYSA-N 1 0 302.418 3.196 10 0 DGAERO CCN(C)CC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000054110280 1194755484 /nfs/dbraw/zinc/75/54/84/1194755484.db2.gz IGXBQAKSUFYESE-UHFFFAOYSA-N 1 0 311.267 3.236 10 0 DGAERO c1cnc2c(c1)cccc2CC[NH2+]Cc1cccc2c1OCCO2 ZINC000054174017 1194758353 /nfs/dbraw/zinc/75/83/53/1194758353.db2.gz NBBXLFKSLQSXGJ-UHFFFAOYSA-N 1 0 320.392 3.338 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[NH2+]CCCCNc1ccccn1 ZINC000078847562 1196803637 /nfs/dbraw/zinc/80/36/37/1196803637.db2.gz RSCXBBQGHFVCAD-UHFFFAOYSA-N 1 0 321.428 3.454 10 0 DGAERO C[C@@H](Cc1ccsc1)N(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000081472647 1197222724 /nfs/dbraw/zinc/22/27/24/1197222724.db2.gz BKHCULDGXCWLKD-HNNXBMFYSA-N 1 0 323.506 3.197 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1I ZINC000379641283 1197703854 /nfs/dbraw/zinc/70/38/54/1197703854.db2.gz VFBRDMODYVJJPR-MWLCHTKSSA-N 1 0 301.171 3.037 10 0 DGAERO c1nn2ccccc2c1C[NH2+]CCc1cccc2cccnc21 ZINC000393551588 1197720071 /nfs/dbraw/zinc/72/00/71/1197720071.db2.gz ZLZRCOUZRCUDAG-UHFFFAOYSA-N 1 0 302.381 3.215 10 0 DGAERO Cc1ccc(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC000398344960 1197724151 /nfs/dbraw/zinc/72/41/51/1197724151.db2.gz OZWDRQDGKLCNIN-MNZLEMJZSA-N 1 0 323.396 3.446 10 0 DGAERO CC(C)[C@@H](C[NH2+]CCC(C)(C)C)ONC(=O)OC(C)(C)C ZINC000398723600 1197724236 /nfs/dbraw/zinc/72/42/36/1197724236.db2.gz ZKVYUXMRMVTVHQ-CYBMUJFWSA-N 1 0 302.459 3.493 10 0 DGAERO CC(C)C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000089059340 1197805756 /nfs/dbraw/zinc/80/57/56/1197805756.db2.gz JARRBLFZYMKEHJ-UHFFFAOYSA-N 1 0 308.223 3.380 10 0 DGAERO Cc1nn(C)c(C[NH2+]C2CCCCCC2)c1Br ZINC000089231800 1197878687 /nfs/dbraw/zinc/87/86/87/1197878687.db2.gz IVAGAOGGLDOQOD-UHFFFAOYSA-N 1 0 300.244 3.303 10 0 DGAERO CCCn1cncc1C[NH2+]Cc1ccc(Br)s1 ZINC000090204826 1198123118 /nfs/dbraw/zinc/12/31/18/1198123118.db2.gz GNJHCDKPSFBMRW-UHFFFAOYSA-N 1 0 314.252 3.407 10 0 DGAERO Fc1cc(Br)cc(C[NH2+]CCc2ccccn2)c1 ZINC000093981551 1198743675 /nfs/dbraw/zinc/74/36/75/1198743675.db2.gz QAPFVFHITPUTOT-UHFFFAOYSA-N 1 0 309.182 3.316 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000096628182 1198983084 /nfs/dbraw/zinc/98/30/84/1198983084.db2.gz AXEUDYSZDJGUCT-HNNXBMFYSA-N 1 0 308.853 3.119 10 0 DGAERO CCN(CCC[NH2+]Cc1cc(C)ns1)C(=O)OC(C)(C)C ZINC000404479082 1199562676 /nfs/dbraw/zinc/56/26/76/1199562676.db2.gz AZLYIMPILAMCBH-UHFFFAOYSA-N 1 0 313.467 3.188 10 0 DGAERO CCCN(CC[NH2+]Cc1cc(C)ns1)C(=O)OC(C)(C)C ZINC000404491582 1199563907 /nfs/dbraw/zinc/56/39/07/1199563907.db2.gz UMXWZLCWOYSRNZ-UHFFFAOYSA-N 1 0 313.467 3.188 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1C ZINC000313596103 1199770478 /nfs/dbraw/zinc/77/04/78/1199770478.db2.gz WKVTVAOTRDVQKV-IUODEOHRSA-N 1 0 312.251 3.350 10 0 DGAERO O[C@H](C[NH2+]C1CC(c2ccccc2Br)C1)C1CCC1 ZINC000316505626 1199815264 /nfs/dbraw/zinc/81/52/64/1199815264.db2.gz XIUKIMAHYLRRDA-SEEARECTSA-N 1 0 324.262 3.446 10 0 DGAERO c1c2ccccc2oc1C[NH2+]CCCOCC1CCOCC1 ZINC000123399880 1200277617 /nfs/dbraw/zinc/27/76/17/1200277617.db2.gz RDQZPBNNHBVOPR-UHFFFAOYSA-N 1 0 303.402 3.356 10 0 DGAERO CC1CC([NH2+]Cc2ccc(I)cc2)C1 ZINC000123434422 1200280295 /nfs/dbraw/zinc/28/02/95/1200280295.db2.gz VXEDEIWKGRGUOT-UHFFFAOYSA-N 1 0 301.171 3.179 10 0 DGAERO Cc1c2ccccc2sc1[C@@H](C)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000133951527 1201197328 /nfs/dbraw/zinc/19/73/28/1201197328.db2.gz JZVDJKCDFGFJDL-CHWSQXEVSA-N 1 0 323.483 3.438 10 0 DGAERO Clc1ccc(I)c(C[NH2+]CC2CC2)c1 ZINC000236068714 1202605177 /nfs/dbraw/zinc/60/51/77/1202605177.db2.gz AHFSIVXFQIWUMN-UHFFFAOYSA-N 1 0 321.589 3.444 10 0 DGAERO c1[nH]nc2cc(C[NH2+]C3CCN(c4ccccc4)CC3)ccc12 ZINC000236744592 1202623046 /nfs/dbraw/zinc/62/30/46/1202623046.db2.gz ZKEVOOANMCKWFQ-UHFFFAOYSA-N 1 0 306.413 3.322 10 0 DGAERO COc1cccc(CN[C@H]2CC[N@H+](CC3CCCC3)C2)c1F ZINC000192690367 1203290502 /nfs/dbraw/zinc/29/05/02/1203290502.db2.gz OYSIQSFSTBOFLF-INIZCTEOSA-N 1 0 306.425 3.188 10 0 DGAERO COC[C@H]1CCC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000246583245 1203746782 /nfs/dbraw/zinc/74/67/82/1203746782.db2.gz NNFCTRONTYOIRB-XJKSGUPXSA-N 1 0 322.836 3.191 10 0 DGAERO Fc1ccc(C[NH2+]CCN2CCCCC2)c(C(F)(F)F)c1 ZINC000167104350 1203812576 /nfs/dbraw/zinc/81/25/76/1203812576.db2.gz KVTSQFSMDIBPHL-UHFFFAOYSA-N 1 0 304.331 3.420 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000175780904 1203921479 /nfs/dbraw/zinc/92/14/79/1203921479.db2.gz MTRLJNQPQWPVBG-FYWRMAATSA-N 1 0 316.445 3.088 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000176053064 1203923922 /nfs/dbraw/zinc/92/39/22/1203923922.db2.gz ICSNVFXIOZKGJQ-CQSZACIVSA-N 1 0 323.506 3.195 10 0 DGAERO C[NH2+][C@@H](C)Cc1noc(-c2cnc(-c3ccsc3)s2)n1 ZINC000261724865 1204212576 /nfs/dbraw/zinc/21/25/76/1204212576.db2.gz JTRIGLHBIGXMEA-QMMMGPOBSA-N 1 0 306.416 3.072 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC(C)(C)c2ccccc2)CO1 ZINC000705575707 1081695558 /nfs/dbraw/zinc/69/55/58/1081695558.db2.gz DRUKPSHXXQJOKS-HNNXBMFYSA-N 1 0 320.433 3.105 10 0 DGAERO C[C@H](CC[NH+](C)C)Nc1nc2cc(Br)ccc2o1 ZINC000705917325 1081808976 /nfs/dbraw/zinc/80/89/76/1081808976.db2.gz OCWUOPRNGGIWEE-SECBINFHSA-N 1 0 312.211 3.342 10 0 DGAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CCCOC(F)F ZINC000398268820 1083677197 /nfs/dbraw/zinc/67/71/97/1083677197.db2.gz XZHCIQVZTSKHOG-GFCCVEGCSA-N 1 0 324.412 3.002 10 0 DGAERO CC(C)OC[C@H](O)C[NH2+][C@@H](C)c1nc2ccccc2n1C(C)C ZINC000132494249 1087991571 /nfs/dbraw/zinc/99/15/71/1087991571.db2.gz IZQWJOBSSNNXSY-LSDHHAIUSA-N 1 0 319.449 3.054 10 0 DGAERO C[C@H](Cc1cccs1)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000251703401 1090214467 /nfs/dbraw/zinc/21/44/67/1090214467.db2.gz OFAJORVNNCKAMI-VDERGJSUSA-N 1 0 306.475 3.106 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CS1 ZINC000401635044 1093960977 /nfs/dbraw/zinc/96/09/77/1093960977.db2.gz CMNNCAZZRQMFTB-YIYPIFLZSA-N 1 0 314.495 3.116 10 0 DGAERO CSC1(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000401744718 1093968996 /nfs/dbraw/zinc/96/89/96/1093968996.db2.gz UFUPQADKRKFDSE-OLZOCXBDSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(F)(F)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401788981 1093972628 /nfs/dbraw/zinc/97/26/28/1093972628.db2.gz VJNBGDNCUQPSDP-FRRDWIJNSA-N 1 0 318.408 3.409 10 0 DGAERO c1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)S3)OCCCO2 ZINC000403628152 1094156472 /nfs/dbraw/zinc/15/64/72/1094156472.db2.gz JVWNPOVGZQZUSM-GOOCMWNKSA-N 1 0 305.443 3.364 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000403649280 1094159897 /nfs/dbraw/zinc/15/98/97/1094159897.db2.gz UALUTCUDYBZMCZ-ZRRUAHMRSA-N 1 0 312.479 3.058 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404570744 1094261590 /nfs/dbraw/zinc/26/15/90/1094261590.db2.gz IGCCMPXVXOGTRE-ZDUSSCGKSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404800525 1094269281 /nfs/dbraw/zinc/26/92/81/1094269281.db2.gz JTQGRMBPLSYPLI-OLZOCXBDSA-N 1 0 314.470 3.083 10 0 DGAERO Cc1cccnc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000405004335 1094282820 /nfs/dbraw/zinc/28/28/20/1094282820.db2.gz YBJHYKINBRXOBZ-YLJYHZDGSA-N 1 0 309.457 3.185 10 0 DGAERO Cc1cc(C)n2c(C[NH2+][C@@H]3CCCc4c(O)cccc43)cnc2n1 ZINC000191658170 1094671005 /nfs/dbraw/zinc/67/10/05/1094671005.db2.gz VQKFCCZYKGQQTL-QGZVFWFLSA-N 1 0 322.412 3.219 10 0 DGAERO O=C1Cc2ccccc2N1CCNc1cc[nH+]c2ccccc12 ZINC000110474605 1094979169 /nfs/dbraw/zinc/97/91/69/1094979169.db2.gz CKUAWACBCLJXPB-UHFFFAOYSA-N 1 0 303.365 3.236 10 0 DGAERO Cc1noc([C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C(C)C)n1 ZINC000193294672 1095087963 /nfs/dbraw/zinc/08/79/63/1095087963.db2.gz BDUIHWBSTKOWKX-QGZVFWFLSA-N 1 0 315.417 3.232 10 0 DGAERO Cn1c(C[NH2+]CC2=Cc3ccccc3OC2)nc2ccccc21 ZINC000171384158 1097512907 /nfs/dbraw/zinc/51/29/07/1097512907.db2.gz CCAZHPHAYOVSFE-UHFFFAOYSA-N 1 0 305.381 3.139 10 0 DGAERO Cc1ccoc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721843820 1098063424 /nfs/dbraw/zinc/06/34/24/1098063424.db2.gz BNDPMGMSPGRWKO-AWEZNQCLSA-N 1 0 308.422 3.323 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CCN1C ZINC000719597833 1104957706 /nfs/dbraw/zinc/95/77/06/1104957706.db2.gz FWBPJKUONUXSKY-SNBTVBLJSA-N 1 0 323.278 3.377 10 0 DGAERO C[NH2+]CCCCC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000719710951 1104986725 /nfs/dbraw/zinc/98/67/25/1104986725.db2.gz OUKPVVSRRZBRHD-UHFFFAOYSA-N 1 0 303.233 3.342 10 0 DGAERO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000088230563 282096767 /nfs/dbraw/zinc/09/67/67/282096767.db2.gz LXSUSIXPRODSHV-QZTJIDSGSA-N 1 0 318.461 3.386 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000081899008 192335764 /nfs/dbraw/zinc/33/57/64/192335764.db2.gz QBQHGFGNTZIMGT-DTWKUNHWSA-N 1 0 310.246 3.077 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncc(Cl)cc1Br ZINC000162830885 197595045 /nfs/dbraw/zinc/59/50/45/197595045.db2.gz QNISGPYNIRKHKM-XVKPBYJWSA-N 1 0 304.619 3.050 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000181283111 199276101 /nfs/dbraw/zinc/27/61/01/199276101.db2.gz LYNCYRSHKZQWTN-BXWFABGCSA-N 1 0 320.477 3.091 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)cc2)cs1 ZINC000278714632 214348793 /nfs/dbraw/zinc/34/87/93/214348793.db2.gz KIZOUZCHZUHINE-SFHVURJKSA-N 1 0 315.438 3.406 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(-c2ccccc2)ns1 ZINC000302329065 529408693 /nfs/dbraw/zinc/40/86/93/529408693.db2.gz YYOGWJOTCKMUCH-CABCVRRESA-N 1 0 314.458 3.268 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1Br ZINC000328425876 231230227 /nfs/dbraw/zinc/23/02/27/231230227.db2.gz LMXJFOQBQILOJW-CYBMUJFWSA-N 1 0 314.223 3.115 10 0 DGAERO Cc1cc(C)c([C@H](O)[C@H]2CCC[NH2+]C2)c(C)c1Br ZINC000083161612 185215038 /nfs/dbraw/zinc/21/50/38/185215038.db2.gz UWVZTXOKGGTLOW-SWLSCSKDSA-N 1 0 312.251 3.407 10 0 DGAERO C[C@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)o1 ZINC000328625615 231255503 /nfs/dbraw/zinc/25/55/03/231255503.db2.gz DIVNEAFRONVWAD-OBZJAWTPSA-N 1 0 315.417 3.146 10 0 DGAERO C[C@@H](c1nc(CCC2CCOCC2)no1)[NH+]1CCCCCC1 ZINC000328883638 231376551 /nfs/dbraw/zinc/37/65/51/231376551.db2.gz NKTRJCCMZXUPEI-AWEZNQCLSA-N 1 0 307.438 3.366 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2ccc3ncccc3c2)CC1 ZINC000129441388 432005492 /nfs/dbraw/zinc/00/54/92/432005492.db2.gz BSWJVAZHMBGEGZ-UHFFFAOYSA-N 1 0 311.429 3.085 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3nc(C)cs3)C2)c1 ZINC000088604038 185259456 /nfs/dbraw/zinc/25/94/56/185259456.db2.gz KHUYHWYGQLRBOC-ZDUSSCGKSA-N 1 0 318.442 3.458 10 0 DGAERO CCc1cnc(CC[NH2+][C@@H]2CCc3c(cccc3OC)C2)s1 ZINC000192443796 529641232 /nfs/dbraw/zinc/64/12/32/529641232.db2.gz MQAIKSOOAFDJPB-CQSZACIVSA-N 1 0 316.470 3.404 10 0 DGAERO C[C@@H]1C[C@H]1[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000090114994 185283169 /nfs/dbraw/zinc/28/31/69/185283169.db2.gz QECYIVZHJSUILY-HFBAOOFYSA-N 1 0 321.852 3.170 10 0 DGAERO CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000081992596 192352349 /nfs/dbraw/zinc/35/23/49/192352349.db2.gz DYUXNCUVSMXLSJ-HNNXBMFYSA-N 1 0 311.429 3.268 10 0 DGAERO C[NH+]1CCC(C(=O)c2cc(Br)ccc2F)CC1 ZINC000090504932 185299473 /nfs/dbraw/zinc/29/94/73/185299473.db2.gz NYPVWPLGYCZHBZ-UHFFFAOYSA-N 1 0 300.171 3.113 10 0 DGAERO CCC(CC)[C@@H](CC[NH2+][C@H](C)C1(OC)CCOCC1)OC ZINC000453184053 282234943 /nfs/dbraw/zinc/23/49/43/282234943.db2.gz ZHPRXFRRLRWOOS-GDBMZVCRSA-N 1 0 301.471 3.001 10 0 DGAERO Cc1cccn2c(C[N@@H+]3CCC[C@@H](c4nccs4)C3)cnc12 ZINC000092788790 185341334 /nfs/dbraw/zinc/34/13/34/185341334.db2.gz MJPGDJUNACYBEP-CQSZACIVSA-N 1 0 312.442 3.479 10 0 DGAERO CCc1ccc([C@@H](CNC(=O)N2CCC23CCC3)[NH+](C)C)cc1 ZINC000435582812 529708321 /nfs/dbraw/zinc/70/83/21/529708321.db2.gz GPLFYUWHKYKWGC-QGZVFWFLSA-N 1 0 315.461 3.190 10 0 DGAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000092754556 185338202 /nfs/dbraw/zinc/33/82/02/185338202.db2.gz RRBDHNLRQKTCEL-ZDUSSCGKSA-N 1 0 324.415 3.338 10 0 DGAERO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000092757652 185338484 /nfs/dbraw/zinc/33/84/84/185338484.db2.gz PWOADZNJTKLQOY-CQSZACIVSA-N 1 0 318.852 3.322 10 0 DGAERO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812782 185343619 /nfs/dbraw/zinc/34/36/19/185343619.db2.gz KAUUCLFZUNVETO-CQSZACIVSA-N 1 0 313.449 3.036 10 0 DGAERO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000295574091 282261714 /nfs/dbraw/zinc/26/17/14/282261714.db2.gz AXIMEADYFWXRIL-QGZVFWFLSA-N 1 0 305.372 3.482 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)C1 ZINC000170830265 282262063 /nfs/dbraw/zinc/26/20/63/282262063.db2.gz FCIOXCQVPWZASU-JKSUJKDBSA-N 1 0 303.450 3.119 10 0 DGAERO CCCn1nc(C)c(C[NH+]2CCC(c3ccnn3C)CC2)c1C ZINC000092810255 185342949 /nfs/dbraw/zinc/34/29/49/185342949.db2.gz DCMXAFYYTDZTJK-UHFFFAOYSA-N 1 0 315.465 3.023 10 0 DGAERO COc1cccc2cc([C@@H](C)[NH2+]CCCN3CCCC3=O)oc21 ZINC000181414163 199293127 /nfs/dbraw/zinc/29/31/27/199293127.db2.gz BXXOEVHPSGCPGS-CYBMUJFWSA-N 1 0 316.401 3.105 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000444785100 529719917 /nfs/dbraw/zinc/71/99/17/529719917.db2.gz XITTYPCADFTSMH-HNNXBMFYSA-N 1 0 300.446 3.445 10 0 DGAERO CCOCC[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000181488683 199304715 /nfs/dbraw/zinc/30/47/15/199304715.db2.gz VIGTUTRLSFCNFX-UHFFFAOYSA-N 1 0 300.402 3.129 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cccnc1 ZINC000181632121 199330576 /nfs/dbraw/zinc/33/05/76/199330576.db2.gz BNZQTKVEJIFKTD-RDJZCZTQSA-N 1 0 314.429 3.296 10 0 DGAERO CC(=O)NCCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000129680115 432008122 /nfs/dbraw/zinc/00/81/22/432008122.db2.gz AWSIPAWZTAIQQM-QGZVFWFLSA-N 1 0 316.445 3.329 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCc2ccc(C)cc2)C1 ZINC000181663475 199335304 /nfs/dbraw/zinc/33/53/04/199335304.db2.gz FEVOSFAFIIDJJJ-GOSISDBHSA-N 1 0 312.461 3.419 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000064249445 432008647 /nfs/dbraw/zinc/00/86/47/432008647.db2.gz FUPVOOKLVQWKDN-OAHLLOKOSA-N 1 0 308.853 3.262 10 0 DGAERO C[N@H+](CCC(=O)N1CCc2ccccc2C1)C[C@@H]1CC=CCC1 ZINC000444608606 529870522 /nfs/dbraw/zinc/87/05/22/529870522.db2.gz LLSMPELZSFUOGL-QGZVFWFLSA-N 1 0 312.457 3.250 10 0 DGAERO CN(CC[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000435124091 529904371 /nfs/dbraw/zinc/90/43/71/529904371.db2.gz LTCGULUOAFNTKL-UHFFFAOYSA-N 1 0 310.401 3.238 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129794381 432008939 /nfs/dbraw/zinc/00/89/39/432008939.db2.gz LELNKIAUYVOQKR-FJBKBRRZSA-N 1 0 320.502 3.397 10 0 DGAERO CC[C@@H](C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)[NH+](C)C ZINC000129862753 432009473 /nfs/dbraw/zinc/00/94/73/432009473.db2.gz PHPXASVUGUYADG-HOTGVXAUSA-N 1 0 316.445 3.279 10 0 DGAERO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000263512755 282360929 /nfs/dbraw/zinc/36/09/29/282360929.db2.gz NWERXMPKTZQAAM-INIZCTEOSA-N 1 0 310.482 3.074 10 0 DGAERO CN(CCC[NH2+][C@@H]1CCc2c1cccc2O)C(=O)OC(C)(C)C ZINC000227610430 201801098 /nfs/dbraw/zinc/80/10/98/201801098.db2.gz BZHPVPYBBFTLEF-OAHLLOKOSA-N 1 0 320.433 3.226 10 0 DGAERO C[C@H](O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000111287808 185575350 /nfs/dbraw/zinc/57/53/50/185575350.db2.gz FMPQTFHFVYBFPI-LBPRGKRZSA-N 1 0 317.351 3.221 10 0 DGAERO CC[C@H]1CN(CCCc2ccccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000181816094 199355889 /nfs/dbraw/zinc/35/58/89/199355889.db2.gz SNEJRNLYZJEYEN-WBVHZDCISA-N 1 0 324.896 3.050 10 0 DGAERO Cc1ccc(CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)o1 ZINC000170700721 197809809 /nfs/dbraw/zinc/80/98/09/197809809.db2.gz HODUOAMCVVYMPP-UHFFFAOYSA-N 1 0 301.390 3.314 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111789263 185636895 /nfs/dbraw/zinc/63/68/95/185636895.db2.gz FFWQSISDNRCTHT-HNNXBMFYSA-N 1 0 303.450 3.228 10 0 DGAERO C[C@H]1CCN(Cc2cc(Br)cs2)[C@@H](C[NH3+])C1 ZINC000235655311 201918633 /nfs/dbraw/zinc/91/86/33/201918633.db2.gz UGKGGPHCZCKDTA-GXSJLCMTSA-N 1 0 303.269 3.070 10 0 DGAERO C[NH+](C)CC(C)(C)CNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000069043895 190794708 /nfs/dbraw/zinc/79/47/08/190794708.db2.gz CBAFICMPYFZWPD-UHFFFAOYSA-N 1 0 320.477 3.067 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000279676315 215053334 /nfs/dbraw/zinc/05/33/34/215053334.db2.gz IINBPEALHIXKFG-AWEZNQCLSA-N 1 0 308.491 3.394 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(Cc3csnn3)C2)n1 ZINC000130215300 432018071 /nfs/dbraw/zinc/01/80/71/432018071.db2.gz CRAYPBCTLSAINS-LLVKDONJSA-N 1 0 308.476 3.498 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000181990935 199371977 /nfs/dbraw/zinc/37/19/77/199371977.db2.gz CUZHCMSGQSNYOH-LBPRGKRZSA-N 1 0 316.376 3.127 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000236681609 201962685 /nfs/dbraw/zinc/96/26/85/201962685.db2.gz XSGFQOBWUNSSPQ-PVAVHDDUSA-N 1 0 300.446 3.001 10 0 DGAERO Cc1ccccc1SCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126988192 185910607 /nfs/dbraw/zinc/91/06/07/185910607.db2.gz NYHYYPOZTBKFLI-INIZCTEOSA-N 1 0 318.486 3.031 10 0 DGAERO Cc1nc(-c2ccccc2F)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000070456236 190896518 /nfs/dbraw/zinc/89/65/18/190896518.db2.gz CRLXRUUDQYOUNY-AWEZNQCLSA-N 1 0 314.408 3.311 10 0 DGAERO Cc1nc(-c2ccc(F)cc2)nc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000070456343 190896601 /nfs/dbraw/zinc/89/66/01/190896601.db2.gz TYHVDBNBWFLTHH-CQSZACIVSA-N 1 0 314.408 3.311 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000070577932 190907330 /nfs/dbraw/zinc/90/73/30/190907330.db2.gz QACWCUDDYCORJB-WDEREUQCSA-N 1 0 300.324 3.470 10 0 DGAERO CN1C(=O)C[C@@H]([NH2+]C2CCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090968694 282636710 /nfs/dbraw/zinc/63/67/10/282636710.db2.gz DRVPBZZEVBOZAK-ZBFHGGJFSA-N 1 0 324.877 3.097 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(F)c(Cl)cc1Cl ZINC000084059582 192397581 /nfs/dbraw/zinc/39/75/81/192397581.db2.gz QRAITRKAYVEUSQ-RKDXNWHRSA-N 1 0 319.207 3.404 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000084062885 192398824 /nfs/dbraw/zinc/39/88/24/192398824.db2.gz WRRDGIJUXLRSAZ-MWLCHTKSSA-N 1 0 301.217 3.265 10 0 DGAERO CO[C@@H](C)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000188130759 293446037 /nfs/dbraw/zinc/44/60/37/293446037.db2.gz BWZWSVLFKCJWEI-GWCFXTLKSA-N 1 0 314.223 3.287 10 0 DGAERO O=C(c1ccc(-c2cccc3c2CC[NH2+]C3)o1)N1CCCCC1 ZINC000071721255 191014312 /nfs/dbraw/zinc/01/43/12/191014312.db2.gz KTYNNIBAGIVCBI-UHFFFAOYSA-N 1 0 310.397 3.218 10 0 DGAERO Brc1csc(-c2c[nH]c(C3CC[NH2+]CC3)n2)c1 ZINC000071669582 191003563 /nfs/dbraw/zinc/00/35/63/191003563.db2.gz VPGOMLTXZOCLRH-UHFFFAOYSA-N 1 0 312.236 3.368 10 0 DGAERO CC[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000130427834 432024849 /nfs/dbraw/zinc/02/48/49/432024849.db2.gz VIADGZUVTWSOFM-VJFUWPCTSA-N 1 0 302.462 3.417 10 0 DGAERO CC(C)C(=O)N1CCC[N@@H+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000182034156 199377014 /nfs/dbraw/zinc/37/70/14/199377014.db2.gz IJNMDPOOCMXDJS-KRWDZBQOSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2csc(-c3ccoc3)n2)C1 ZINC000187988522 186239726 /nfs/dbraw/zinc/23/97/26/186239726.db2.gz PWZYUFXFJZGVFH-MLGOLLRUSA-N 1 0 306.431 3.386 10 0 DGAERO C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000189938279 186252175 /nfs/dbraw/zinc/25/21/75/186252175.db2.gz ZGSFRFIDKQHNSK-YJBOKZPZSA-N 1 0 316.445 3.079 10 0 DGAERO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000189953368 186254650 /nfs/dbraw/zinc/25/46/50/186254650.db2.gz AMGLHFFQJZFQEO-SMDDNHRTSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000194277677 186276452 /nfs/dbraw/zinc/27/64/52/186276452.db2.gz ODDXAPPIEBZKLZ-UHFFFAOYSA-N 1 0 319.449 3.136 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1c(Cl)ccc(F)c1Cl ZINC000237458375 186292313 /nfs/dbraw/zinc/29/23/13/186292313.db2.gz WVENZCQIOUSSQR-DJLDLDEBSA-N 1 0 319.207 3.437 10 0 DGAERO C[C@H](CC1CCCCC1)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000194252180 186273128 /nfs/dbraw/zinc/27/31/28/186273128.db2.gz DVAPRDHRBNOCRL-ZIAGYGMSSA-N 1 0 324.490 3.344 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000130491055 432026410 /nfs/dbraw/zinc/02/64/10/432026410.db2.gz SLCWTSABVQNVKF-ABAIWWIYSA-N 1 0 300.368 3.266 10 0 DGAERO CCCCOc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171891187 198001886 /nfs/dbraw/zinc/00/18/86/198001886.db2.gz VGQSTINIVZHIFV-HNNXBMFYSA-N 1 0 317.433 3.177 10 0 DGAERO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000172170067 198052162 /nfs/dbraw/zinc/05/21/62/198052162.db2.gz BMBLZLGBUXYHAT-QWHCGFSZSA-N 1 0 317.433 3.140 10 0 DGAERO CCn1cnnc1C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000172290289 198071763 /nfs/dbraw/zinc/07/17/63/198071763.db2.gz JGGQLBONPPNMFU-UHFFFAOYSA-N 1 0 310.445 3.166 10 0 DGAERO Cc1ccc([C@H]2CCCC[N@H+]2CCC(=O)Nc2cc(C)on2)o1 ZINC000172870208 198159934 /nfs/dbraw/zinc/15/99/34/198159934.db2.gz ROMIJMZCYHBYNW-CQSZACIVSA-N 1 0 317.389 3.440 10 0 DGAERO Cn1cc(C[NH2+]CC2=Cc3ccccc3OC2)c(C(F)(F)F)n1 ZINC000130790656 432029500 /nfs/dbraw/zinc/02/95/00/432029500.db2.gz HHWYHGLCZDRRMN-UHFFFAOYSA-N 1 0 323.318 3.005 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000173465553 198217348 /nfs/dbraw/zinc/21/73/48/198217348.db2.gz WNOPOECGIMJRLR-CABCVRRESA-N 1 0 307.438 3.165 10 0 DGAERO C[C@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)Cc1ccccc1 ZINC000182054215 199380424 /nfs/dbraw/zinc/38/04/24/199380424.db2.gz NVKJAQLWEMONTE-HOCLYGCPSA-N 1 0 314.395 3.339 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2SCCc3sccc32)CC[N@@H+]1C ZINC000173749085 198247373 /nfs/dbraw/zinc/24/73/73/198247373.db2.gz QPQPLKNYNFZGNX-JMSVASOKSA-N 1 0 324.515 3.020 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CSc2ccccc2C)C1 ZINC000173816888 198255784 /nfs/dbraw/zinc/25/57/84/198255784.db2.gz JINHPYLEQGAWNN-INIZCTEOSA-N 1 0 320.502 3.277 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)CSc2ccccc2C)C1 ZINC000173816901 198256094 /nfs/dbraw/zinc/25/60/94/198256094.db2.gz JINHPYLEQGAWNN-MRXNPFEDSA-N 1 0 320.502 3.277 10 0 DGAERO CC(C)[C@@H]([NH2+]CCSCCCO)c1ccc(F)c(F)c1 ZINC000182067944 199381979 /nfs/dbraw/zinc/38/19/79/199381979.db2.gz ICKFEWRGVWERIE-OAHLLOKOSA-N 1 0 303.418 3.367 10 0 DGAERO CC[NH+](CC)CCS[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000174030233 198282975 /nfs/dbraw/zinc/28/29/75/198282975.db2.gz OODBIBYFDINZHW-GJZGRUSLSA-N 1 0 308.491 3.327 10 0 DGAERO CCC[C@@H](O)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000131080116 432033046 /nfs/dbraw/zinc/03/30/46/432033046.db2.gz LAXSZOSALUWECD-TZMCWYRMSA-N 1 0 301.377 3.360 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2c(F)cc(F)cc2F)CC[N@@H+]1C ZINC000174254609 198311239 /nfs/dbraw/zinc/31/12/39/198311239.db2.gz JCYOFYICFIQGGN-ONGXEEELSA-N 1 0 315.339 3.050 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000174361445 198324229 /nfs/dbraw/zinc/32/42/29/198324229.db2.gz FXAFWJWWZSJYJT-PWSUYJOCSA-N 1 0 313.804 3.426 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000174382725 198327315 /nfs/dbraw/zinc/32/73/15/198327315.db2.gz RFNIVNOBXIZNGK-ZYHUDNBSSA-N 1 0 313.804 3.426 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccccc2Cl)CC[N@@H+]1C ZINC000174398559 198330091 /nfs/dbraw/zinc/33/00/91/198330091.db2.gz SHICATJZRIIMIN-HIFRSBDPSA-N 1 0 323.868 3.007 10 0 DGAERO CC[NH+](CC)CCSCC(=O)Nc1ccc2oc(C)nc2c1 ZINC000174466777 198338785 /nfs/dbraw/zinc/33/87/85/198338785.db2.gz RBRWAVNFQRYARK-UHFFFAOYSA-N 1 0 321.446 3.150 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000174608358 198358203 /nfs/dbraw/zinc/35/82/03/198358203.db2.gz UVQVENBHUZUNSK-JQWIXIFHSA-N 1 0 313.804 3.426 10 0 DGAERO CC(C)[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1F ZINC000182131605 199391151 /nfs/dbraw/zinc/39/11/51/199391151.db2.gz RUWLPXNXDQNAIG-BLLLJJGKSA-N 1 0 322.815 3.372 10 0 DGAERO c1ccc2c(c1)[nH+]ccc2N1CCC(Nc2cccnn2)CC1 ZINC000174731544 198377285 /nfs/dbraw/zinc/37/72/85/198377285.db2.gz KKCMOHFFAYVBCR-UHFFFAOYSA-N 1 0 305.385 3.106 10 0 DGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC000174781987 198384385 /nfs/dbraw/zinc/38/43/85/198384385.db2.gz LSRMYHUDOCQMLL-HOTGVXAUSA-N 1 0 317.477 3.202 10 0 DGAERO c1ccc([C@H]2CC[NH2+]C[C@@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000003628942 181042807 /nfs/dbraw/zinc/04/28/07/181042807.db2.gz VUYNWBMXOQBJAI-NVXWUHKLSA-N 1 0 311.381 3.187 10 0 DGAERO CCC(=O)N(c1cccc(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000003628569 181042867 /nfs/dbraw/zinc/04/28/67/181042867.db2.gz CIBNDPPABYOVEO-GOSISDBHSA-N 1 0 324.424 3.410 10 0 DGAERO Cc1ccccc1C1CC([NH2+]C2CCN(C(=O)C(C)C)CC2)C1 ZINC000236779293 202003719 /nfs/dbraw/zinc/00/37/19/202003719.db2.gz IYMLNFSBXAAEGL-UHFFFAOYSA-N 1 0 314.473 3.478 10 0 DGAERO O=C(c1scnc1C1CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179069103 432037716 /nfs/dbraw/zinc/03/77/16/432037716.db2.gz KIUVQNJMIINHBQ-UHFFFAOYSA-N 1 0 319.474 3.111 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000183645123 199626245 /nfs/dbraw/zinc/62/62/45/199626245.db2.gz YUSWGKHEBYLSOZ-FQEVSTJZSA-N 1 0 323.440 3.342 10 0 DGAERO Cc1nc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(C)s1 ZINC000179124414 432043690 /nfs/dbraw/zinc/04/36/90/432043690.db2.gz LAVOVPLNNRBZNU-LBPRGKRZSA-N 1 0 309.479 3.002 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)N(C)C1CCC1)c1ccsc1 ZINC000073651677 191335994 /nfs/dbraw/zinc/33/59/94/191335994.db2.gz IRIHONOPDSGAMV-HNNXBMFYSA-N 1 0 309.479 3.325 10 0 DGAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000073654881 191336441 /nfs/dbraw/zinc/33/64/41/191336441.db2.gz NIDFPCBMNHODCC-HOCLYGCPSA-N 1 0 304.434 3.422 10 0 DGAERO Cc1cc2nc(Cl)c(NC[C@H]3CCC[NH2+]C3)nc2cc1C ZINC000073736015 191349319 /nfs/dbraw/zinc/34/93/19/191349319.db2.gz JVIZSNDDCOCJAM-LBPRGKRZSA-N 1 0 304.825 3.312 10 0 DGAERO Clc1nc2cc(-c3ccccc3)[nH]c2c(N[C@@H]2CC[NH2+]C2)n1 ZINC000073737464 191349624 /nfs/dbraw/zinc/34/96/24/191349624.db2.gz AGMYORHQGCUOFW-LLVKDONJSA-N 1 0 313.792 3.052 10 0 DGAERO [NH3+][C@@H]1CCN(c2nc(Cl)nc3c4ccccc4sc32)C1 ZINC000073736341 191349719 /nfs/dbraw/zinc/34/97/19/191349719.db2.gz ZOJRVTIKGIXFBR-MRVPVSSYSA-N 1 0 304.806 3.035 10 0 DGAERO CCCN(Cc1ccccc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132281695 432047002 /nfs/dbraw/zinc/04/70/02/432047002.db2.gz WEYSAUUXMDOSKC-WMZOPIPTSA-N 1 0 317.477 3.337 10 0 DGAERO [NH3+]Cc1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000075893216 191532486 /nfs/dbraw/zinc/53/24/86/191532486.db2.gz KPLCXEWLMQKRMC-UHFFFAOYSA-N 1 0 309.213 3.369 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1OCC1CC1 ZINC000077728000 191764469 /nfs/dbraw/zinc/76/44/69/191764469.db2.gz ULTLMBYGZOZTSG-AWEZNQCLSA-N 1 0 319.449 3.327 10 0 DGAERO CCCN(CCC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179262331 432052277 /nfs/dbraw/zinc/05/22/77/432052277.db2.gz COLWLOZYRJPNEW-DLBZAZTESA-N 1 0 303.450 3.263 10 0 DGAERO COc1ccc([C@H](C)NCc2nccn2CC(C)C)c(OC)c1 ZINC000164837784 432051879 /nfs/dbraw/zinc/05/18/79/432051879.db2.gz UHWRFLJWCSMUQQ-AWEZNQCLSA-N 1 0 317.433 3.407 10 0 DGAERO CC[NH+](CC)CCn1nc(-c2cccc3ccccc32)ccc1=O ZINC000005399923 181239365 /nfs/dbraw/zinc/23/93/65/181239365.db2.gz DPEOOUVQTPDJSJ-UHFFFAOYSA-N 1 0 321.424 3.405 10 0 DGAERO CCCN(CCC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179262324 432052379 /nfs/dbraw/zinc/05/23/79/432052379.db2.gz COLWLOZYRJPNEW-IAGOWNOFSA-N 1 0 303.450 3.263 10 0 DGAERO C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000080715812 192185111 /nfs/dbraw/zinc/18/51/11/192185111.db2.gz JAESNOKOQZAILU-TZUVLKIQSA-N 1 0 318.436 3.451 10 0 DGAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000132910836 432055862 /nfs/dbraw/zinc/05/58/62/432055862.db2.gz TWFCGZSEHVITQD-GJZGRUSLSA-N 1 0 315.461 3.276 10 0 DGAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(OCc2ccccc2)cc1 ZINC000005760522 181281425 /nfs/dbraw/zinc/28/14/25/181281425.db2.gz YUFPERPQVJMWEN-QGZVFWFLSA-N 1 0 315.413 3.003 10 0 DGAERO CCOC[C@H]1CC[N@H+](Cc2nc3cc(F)ccc3n2CC)C1 ZINC000081520951 192281224 /nfs/dbraw/zinc/28/12/24/192281224.db2.gz PTQYJQOCVOGFCM-ZDUSSCGKSA-N 1 0 305.397 3.054 10 0 DGAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(Cl)c1Cl ZINC000165903917 432057735 /nfs/dbraw/zinc/05/77/35/432057735.db2.gz GANXFXMDJNAQFE-SECBINFHSA-N 1 0 316.232 3.187 10 0 DGAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000236931321 202076241 /nfs/dbraw/zinc/07/62/41/202076241.db2.gz FNSADKLMLDNBCJ-GUYCJALGSA-N 1 0 316.401 3.308 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1C ZINC000166486401 432060767 /nfs/dbraw/zinc/06/07/67/432060767.db2.gz QWQAKEOMAZTHGH-SJORKVTESA-N 1 0 312.461 3.357 10 0 DGAERO C[NH2+]C1CCN(C(=O)CCSc2ccccc2Cl)CC1 ZINC000237066684 202140726 /nfs/dbraw/zinc/14/07/26/202140726.db2.gz FLPZGRKODWSXKZ-UHFFFAOYSA-N 1 0 312.866 3.033 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)COc1ccccc1CC ZINC000237049498 202136024 /nfs/dbraw/zinc/13/60/24/202136024.db2.gz CPMUITKUBSMERH-UHFFFAOYSA-N 1 0 312.413 3.376 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccs1 ZINC000166532817 432061270 /nfs/dbraw/zinc/06/12/70/432061270.db2.gz ABILCLRHTCXWSG-ZFWWWQNUSA-N 1 0 304.463 3.191 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000237055031 202138304 /nfs/dbraw/zinc/13/83/04/202138304.db2.gz GUJNSZUXNGVTPV-SCLBCKFNSA-N 1 0 313.445 3.247 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)Oc1cccc(F)c1 ZINC000237075497 202144875 /nfs/dbraw/zinc/14/48/75/202144875.db2.gz PLJJZBDWZGFXOO-ZDUSSCGKSA-N 1 0 316.376 3.341 10 0 DGAERO Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000237130202 202160880 /nfs/dbraw/zinc/16/08/80/202160880.db2.gz AXTHTJRMBRIABQ-WBVHZDCISA-N 1 0 302.462 3.249 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccccc2COc2ccccc2)CC1 ZINC000237137864 202163863 /nfs/dbraw/zinc/16/38/63/202163863.db2.gz DNJXRRIXZRLNRJ-UHFFFAOYSA-N 1 0 324.424 3.090 10 0 DGAERO CCCCOc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000179547767 432062350 /nfs/dbraw/zinc/06/23/50/432062350.db2.gz KBUOSNFQNCYRRD-QGZVFWFLSA-N 1 0 318.461 3.154 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cnccn2)cc1 ZINC000166678267 432061987 /nfs/dbraw/zinc/06/19/87/432061987.db2.gz CQBXYEHBPRGGTP-ZIAGYGMSSA-N 1 0 307.401 3.383 10 0 DGAERO CCc1noc([C@H](C)N2CC[NH+](C[C@H]3CCC[C@H](C)C3)CC2)n1 ZINC000133393147 432062723 /nfs/dbraw/zinc/06/27/23/432062723.db2.gz IMAAOKBYLQOBLV-JYJNAYRXSA-N 1 0 320.481 3.137 10 0 DGAERO COc1ccc(OC)c(C[N@H+](CC2=CCCOC2)C2CC2)c1 ZINC000133413008 432062749 /nfs/dbraw/zinc/06/27/49/432062749.db2.gz OVXKNWVTGVKWSD-UHFFFAOYSA-N 1 0 303.402 3.015 10 0 DGAERO CCOCc1cc(CN(C)C[C@H]2CCC[N@@H+]2CC)ccc1OC ZINC000179558301 432062957 /nfs/dbraw/zinc/06/29/57/432062957.db2.gz COECGTZZJGDXAL-GOSISDBHSA-N 1 0 320.477 3.148 10 0 DGAERO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(C[NH3+])cc1 ZINC000237191673 202183363 /nfs/dbraw/zinc/18/33/63/202183363.db2.gz FWTDAQYURMFPRC-UHFFFAOYSA-N 1 0 312.457 3.434 10 0 DGAERO CN(C(=O)C[C@@H]1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237211298 202189838 /nfs/dbraw/zinc/18/98/38/202189838.db2.gz YGJVHJCIKAEPKP-XNHLSEOASA-N 1 0 312.457 3.238 10 0 DGAERO Cc1ccc(C)c(SCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237210610 202191003 /nfs/dbraw/zinc/19/10/03/202191003.db2.gz BFTYRQORJKCUIS-XYPWUTKMSA-N 1 0 318.486 3.137 10 0 DGAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCNC(=O)c1ccccc1 ZINC000178023343 198805982 /nfs/dbraw/zinc/80/59/82/198805982.db2.gz XEDRZPCLZPXPJH-LJQANCHMSA-N 1 0 324.424 3.092 10 0 DGAERO O=C(Cc1ccc(Cl)cc1)Nc1cccc2c1C[NH2+]CC2 ZINC000167355183 432065580 /nfs/dbraw/zinc/06/55/80/432065580.db2.gz JJPGIKFVGXQGEW-UHFFFAOYSA-N 1 0 300.789 3.167 10 0 DGAERO O=C(Cc1ccccc1Cl)Nc1cccc2c1C[NH2+]CC2 ZINC000167354708 432066060 /nfs/dbraw/zinc/06/60/60/432066060.db2.gz NJVNNKPSRIOIAE-UHFFFAOYSA-N 1 0 300.789 3.167 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000565338656 315253252 /nfs/dbraw/zinc/25/32/52/315253252.db2.gz SBDKPZYINWILOF-ZDUSSCGKSA-N 1 0 324.266 3.147 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)CN(C)C ZINC000168722120 432070002 /nfs/dbraw/zinc/07/00/02/432070002.db2.gz IBRIVUOXAVZJNX-OLZOCXBDSA-N 1 0 300.393 3.149 10 0 DGAERO COC(=O)CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)CC(C)C ZINC000179773271 432070292 /nfs/dbraw/zinc/07/02/92/432070292.db2.gz RNKSFWRKJYANCB-UHFFFAOYSA-N 1 0 315.417 3.098 10 0 DGAERO CC[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(OC)cc1 ZINC000179812038 432070763 /nfs/dbraw/zinc/07/07/63/432070763.db2.gz HVEVJVRBVGBETK-YJBOKZPZSA-N 1 0 318.461 3.179 10 0 DGAERO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc2c(c1)CCCC(=O)N2 ZINC000179815145 432072275 /nfs/dbraw/zinc/07/22/75/432072275.db2.gz MISKDAGIBAOFRL-IGCXYCKISA-N 1 0 301.434 3.102 10 0 DGAERO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179466570 199040167 /nfs/dbraw/zinc/04/01/67/199040167.db2.gz KXKGYTTUUULLTJ-AWEZNQCLSA-N 1 0 310.401 3.424 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+](C)CCc1ncc(C)s1 ZINC000179471559 199041347 /nfs/dbraw/zinc/04/13/47/199041347.db2.gz XDCVLAQUFVKEAV-UHFFFAOYSA-N 1 0 318.442 3.207 10 0 DGAERO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC000134150464 432073634 /nfs/dbraw/zinc/07/36/34/432073634.db2.gz GGVIXKBIKUAZHO-MRXNPFEDSA-N 1 0 324.509 3.020 10 0 DGAERO Cc1scc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1C ZINC000179661490 199071704 /nfs/dbraw/zinc/07/17/04/199071704.db2.gz YZJZQYTZYDZZKK-MRXNPFEDSA-N 1 0 302.443 3.398 10 0 DGAERO FC(F)(F)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000179623185 199065867 /nfs/dbraw/zinc/06/58/67/199065867.db2.gz HVHFHHDRLOGQNH-ZDUSSCGKSA-N 1 0 310.323 3.246 10 0 DGAERO C[C@@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)Cc1ccc(Cl)cc1 ZINC000179905585 432073857 /nfs/dbraw/zinc/07/38/57/432073857.db2.gz CJQVHCSHAOMMRM-CJNGLKHVSA-N 1 0 308.853 3.071 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000179932250 199096385 /nfs/dbraw/zinc/09/63/85/199096385.db2.gz BTYCOMLAFFKUJN-NVXWUHKLSA-N 1 0 318.461 3.179 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000180127593 199120520 /nfs/dbraw/zinc/12/05/20/199120520.db2.gz PYVKCXFYAPSDMM-KRZKXXONSA-N 1 0 311.429 3.378 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2F)[C@@H]1c1ccccc1 ZINC000180171263 199125649 /nfs/dbraw/zinc/12/56/49/199125649.db2.gz BPMZBOGYWTWFOH-SJORKVTESA-N 1 0 316.351 3.140 10 0 DGAERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000180183540 199127715 /nfs/dbraw/zinc/12/77/15/199127715.db2.gz YEUWNTGPARTBCE-GDBMZVCRSA-N 1 0 300.427 3.232 10 0 DGAERO Fc1cc(CN2CCC(C[NH+]3CCCC3)CC2)cc(F)c1F ZINC000134214763 432075168 /nfs/dbraw/zinc/07/51/68/432075168.db2.gz XRZIWYMUOLSXQT-UHFFFAOYSA-N 1 0 312.379 3.412 10 0 DGAERO CSc1ccc(CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000237319835 202229941 /nfs/dbraw/zinc/22/99/41/202229941.db2.gz LLUVLWNHYVOZPB-UKRRQHHQSA-N 1 0 306.475 3.051 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180501144 199167979 /nfs/dbraw/zinc/16/79/79/199167979.db2.gz VNZXVIJRLXMZNT-UONOGXRCSA-N 1 0 314.433 3.076 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)CC2 ZINC000180501989 199168558 /nfs/dbraw/zinc/16/85/58/199168558.db2.gz WVLMJKXMRUEPSU-NHYWBVRUSA-N 1 0 320.387 3.345 10 0 DGAERO CCCc1csc(NC(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000180623737 199186621 /nfs/dbraw/zinc/18/66/21/199186621.db2.gz AYEPUMKCFIOWKT-UHFFFAOYSA-N 1 0 324.494 3.338 10 0 DGAERO COC(=O)C(C)(C)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000180039978 432076514 /nfs/dbraw/zinc/07/65/14/432076514.db2.gz MQAVOEAVOYHNSM-UHFFFAOYSA-N 1 0 316.376 3.177 10 0 DGAERO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc3c[nH]nc3c2)cn1 ZINC000180884102 199223518 /nfs/dbraw/zinc/22/35/18/199223518.db2.gz UMYKSVQYIZQPPT-UHFFFAOYSA-N 1 0 310.401 3.425 10 0 DGAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(O)c(OC)c2)C12CCC2 ZINC000180094062 432078394 /nfs/dbraw/zinc/07/83/94/432078394.db2.gz ZCZSUQDUPNUYIQ-DLBZAZTESA-N 1 0 305.418 3.180 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1C ZINC000180124972 432078871 /nfs/dbraw/zinc/07/88/71/432078871.db2.gz AZEUFRPTQHZTOQ-SFHVURJKSA-N 1 0 313.445 3.482 10 0 DGAERO Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000180148953 432079129 /nfs/dbraw/zinc/07/91/29/432079129.db2.gz LWYDHPKAZLTTNC-FUHWJXTLSA-N 1 0 314.454 3.161 10 0 DGAERO C/C(=C\C(C)(C)C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000185424442 199851929 /nfs/dbraw/zinc/85/19/29/199851929.db2.gz QLNYXECZOWCNIR-JLHYYAGUSA-N 1 0 306.425 3.496 10 0 DGAERO Fc1ccc([C@H]([NH2+][C@H]2CCc3ncnn3C2)C2CCCC2)cc1 ZINC000180166668 432079772 /nfs/dbraw/zinc/07/97/72/432079772.db2.gz XJRPIKYJNRMDCT-FUHWJXTLSA-N 1 0 314.408 3.253 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@@H]1c1ccccc1 ZINC000180172200 432080007 /nfs/dbraw/zinc/08/00/07/432080007.db2.gz LTZJGMIAFVDPGD-HOTGVXAUSA-N 1 0 322.399 3.374 10 0 DGAERO Fc1ccc([C@@H]([NH2+][C@H]2CCc3ncnn3C2)C2CCCC2)cc1 ZINC000180166681 432080503 /nfs/dbraw/zinc/08/05/03/432080503.db2.gz XJRPIKYJNRMDCT-WMZOPIPTSA-N 1 0 314.408 3.253 10 0 DGAERO CC[NH+](CC)[C@H](C)CNCc1ccc2c(c1)COC(C)(C)O2 ZINC000186363005 199947830 /nfs/dbraw/zinc/94/78/30/199947830.db2.gz VVFCKSBLKFQVEL-CQSZACIVSA-N 1 0 306.450 3.152 10 0 DGAERO c1cn(-c2csc(CN3CC[NH2+]C[C@@H]3c3ccccc3)c2)cn1 ZINC000415133340 237104868 /nfs/dbraw/zinc/10/48/68/237104868.db2.gz VBWLJQPRQIOVOK-GOSISDBHSA-N 1 0 324.453 3.080 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCCc1csc2ccccc12 ZINC000186787906 200009880 /nfs/dbraw/zinc/00/98/80/200009880.db2.gz UWSRJBYUNWNDPA-CZUORRHYSA-N 1 0 316.470 3.338 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000186835409 200019092 /nfs/dbraw/zinc/01/90/92/200019092.db2.gz SXXRLWUQYWESFY-HNAYVOBHSA-N 1 0 308.425 3.010 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc(F)c1 ZINC000186841946 200019795 /nfs/dbraw/zinc/01/97/95/200019795.db2.gz LTLPZKWGFKMWOU-IRXDYDNUSA-N 1 0 314.408 3.325 10 0 DGAERO O[C@@]1(C(F)(F)F)CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000187356251 200100463 /nfs/dbraw/zinc/10/04/63/200100463.db2.gz CQGDWKXIXIGMFP-HNNXBMFYSA-N 1 0 317.351 3.235 10 0 DGAERO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)oc2c1c(C)ccc2C ZINC000170855548 432084857 /nfs/dbraw/zinc/08/48/57/432084857.db2.gz YEGFNYGTZYVSRC-AWEZNQCLSA-N 1 0 300.402 3.134 10 0 DGAERO CC1(C)C[C@@H]([NH2+]CC[C@@H]2c3ccccc3NC2=O)C(C)(C)O1 ZINC000180388948 432085058 /nfs/dbraw/zinc/08/50/58/432085058.db2.gz JIYJYHMYCRVLJB-UKRRQHHQSA-N 1 0 302.418 3.048 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000170856153 432085134 /nfs/dbraw/zinc/08/51/34/432085134.db2.gz NDPHINKZGVKURX-GOSISDBHSA-N 1 0 308.425 3.054 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2coc(-c3cccs3)n2)C1 ZINC000187948382 200181223 /nfs/dbraw/zinc/18/12/23/200181223.db2.gz PEVDKBMPHCQSTJ-WBMJQRKESA-N 1 0 306.431 3.386 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2coc(-c3cccs3)n2)C1 ZINC000187948352 200181622 /nfs/dbraw/zinc/18/16/22/200181622.db2.gz PEVDKBMPHCQSTJ-BLLLJJGKSA-N 1 0 306.431 3.386 10 0 DGAERO CC[C@H]1[C@@H](C)CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000187967106 200184188 /nfs/dbraw/zinc/18/41/88/200184188.db2.gz WSIXPYHVJWGKFU-GUYCJALGSA-N 1 0 321.440 3.217 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1c1ccsc1 ZINC000188094402 200193183 /nfs/dbraw/zinc/19/31/83/200193183.db2.gz SFOBFYVGLDSJQX-JSGCOSHPSA-N 1 0 308.834 3.004 10 0 DGAERO Cc1ccccc1SCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237575366 202289310 /nfs/dbraw/zinc/28/93/10/202289310.db2.gz SVTMHHBSQVJUAU-HNNXBMFYSA-N 1 0 306.475 3.111 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1c1ccsc1 ZINC000188141610 200200591 /nfs/dbraw/zinc/20/05/91/200200591.db2.gz USMGQAXQIVMNTQ-KBPBESRZSA-N 1 0 308.834 3.004 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237615935 202305662 /nfs/dbraw/zinc/30/56/62/202305662.db2.gz NZUAPWHPRGKHOI-ZDUSSCGKSA-N 1 0 321.490 3.229 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)o1 ZINC000281096624 216076564 /nfs/dbraw/zinc/07/65/64/216076564.db2.gz VPRMHEHDLZHVTL-OLZOCXBDSA-N 1 0 308.422 3.494 10 0 DGAERO c1ccc2c(c1)COC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000417370451 237612862 /nfs/dbraw/zinc/61/28/62/237612862.db2.gz UHJZYSSPVCCNOQ-RWQQGDIJSA-N 1 0 301.430 3.443 10 0 DGAERO COCCC1(C[NH2+]C[C@@H](O)c2ccccc2OC)CCCCC1 ZINC000189072643 200344134 /nfs/dbraw/zinc/34/41/34/200344134.db2.gz HJHDBAODHJSDMG-QGZVFWFLSA-N 1 0 321.461 3.305 10 0 DGAERO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000189250147 200370086 /nfs/dbraw/zinc/37/00/86/200370086.db2.gz FOEVJMLFPURZOU-CQSZACIVSA-N 1 0 314.408 3.440 10 0 DGAERO O=C(c1csc(Cl)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000189261769 200372707 /nfs/dbraw/zinc/37/27/07/200372707.db2.gz TUDOKWWTXLAQSR-CYBMUJFWSA-N 1 0 312.866 3.492 10 0 DGAERO COc1c(C)cnc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1C ZINC000189164266 200358495 /nfs/dbraw/zinc/35/84/95/200358495.db2.gz FJSCHVPQLDPFGO-KRWDZBQOSA-N 1 0 304.434 3.098 10 0 DGAERO [NH3+]Cc1ccc(NC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000131678019 283529384 /nfs/dbraw/zinc/52/93/84/283529384.db2.gz RJPADRGRMVIDIB-ZWKOTPCHSA-N 1 0 310.397 3.252 10 0 DGAERO CCOC[C@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)C(C)C ZINC000189343912 200385084 /nfs/dbraw/zinc/38/50/84/200385084.db2.gz BXRLREQQJYWCKW-DYVFJYSZSA-N 1 0 322.449 3.365 10 0 DGAERO c1c(C[N@H+]2CCC[C@H](OCC3CC3)C2)[nH]nc1-c1ccccc1 ZINC000428399677 238019343 /nfs/dbraw/zinc/01/93/43/238019343.db2.gz NTAZMVNFZPEQDL-SFHVURJKSA-N 1 0 311.429 3.468 10 0 DGAERO c1cn(-c2csc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)c2)cn1 ZINC000428374042 238018133 /nfs/dbraw/zinc/01/81/33/238018133.db2.gz PETLTUUJCYBMFB-MRXNPFEDSA-N 1 0 317.458 3.325 10 0 DGAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccnn1C(C)(C)C ZINC000190588606 200561831 /nfs/dbraw/zinc/56/18/31/200561831.db2.gz RIAFIVFTPYFARQ-CQSZACIVSA-N 1 0 321.469 3.024 10 0 DGAERO c1cnc(OC2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)cn1 ZINC000430064267 238065397 /nfs/dbraw/zinc/06/53/97/238065397.db2.gz CIRWQTURQRXJLV-UHFFFAOYSA-N 1 0 323.440 3.399 10 0 DGAERO c1coc(-c2ncc(C[N@@H+]3CCC[C@]4(CCOC4)C3)s2)c1 ZINC000449677820 240363494 /nfs/dbraw/zinc/36/34/94/240363494.db2.gz CSTGOLFPEIZIAM-INIZCTEOSA-N 1 0 304.415 3.406 10 0 DGAERO C[C@H](CNC(=O)C[C@@H]1CCCc2ccccc21)[N@H+](C)C1CC1 ZINC000170981087 432091402 /nfs/dbraw/zinc/09/14/02/432091402.db2.gz HGWWHUABIMMZMF-ZBFHGGJFSA-N 1 0 300.446 3.096 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000134946682 432091412 /nfs/dbraw/zinc/09/14/12/432091412.db2.gz HDNUAKJETLNFAV-UHFFFAOYSA-N 1 0 318.314 3.011 10 0 DGAERO CCCCNC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000049280245 283580543 /nfs/dbraw/zinc/58/05/43/283580543.db2.gz YEDZSSHLUCOJFP-NSHDSACASA-N 1 0 313.239 3.016 10 0 DGAERO Cc1cc(Cl)c(C(=O)N2CCN3CCCC[C@@H]3C2)cc1C ZINC000180596894 432091903 /nfs/dbraw/zinc/09/19/03/432091903.db2.gz SAEYMXJTMBLZIN-CQSZACIVSA-N 1 0 306.837 3.267 10 0 DGAERO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000434982497 238262157 /nfs/dbraw/zinc/26/21/57/238262157.db2.gz PMFPDNSPEJNNSB-UHFFFAOYSA-N 1 0 323.396 3.279 10 0 DGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC23CCC3)C1 ZINC000435612318 238326162 /nfs/dbraw/zinc/32/61/62/238326162.db2.gz FOGHRQTZFZHOIH-NVXWUHKLSA-N 1 0 313.445 3.160 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)o1 ZINC000180647106 432095810 /nfs/dbraw/zinc/09/58/10/432095810.db2.gz CNCWHFLXBWYHBM-QWHCGFSZSA-N 1 0 302.422 3.223 10 0 DGAERO CCc1ccc(-c2csc(NC(=O)CC[C@@H](C)[NH3+])n2)cc1 ZINC000193173426 201002017 /nfs/dbraw/zinc/00/20/17/201002017.db2.gz WVWVWZPEFJOLBW-LLVKDONJSA-N 1 0 303.431 3.438 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)NC(=O)CC[C@@H](C)[NH3+])cc1 ZINC000193228920 201009767 /nfs/dbraw/zinc/00/97/67/201009767.db2.gz RVWUJNPMDFVJCP-CABCVRRESA-N 1 0 306.450 3.416 10 0 DGAERO C[C@H]([NH3+])CCC(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000193282268 201018568 /nfs/dbraw/zinc/01/85/68/201018568.db2.gz NHSYURZNUQCAOH-RYUDHWBXSA-N 1 0 316.367 3.443 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)NC(=O)CC[C@@H](C)[NH3+])cc1 ZINC000193228909 201009427 /nfs/dbraw/zinc/00/94/27/201009427.db2.gz RVWUJNPMDFVJCP-HUUCEWRRSA-N 1 0 306.450 3.416 10 0 DGAERO CC(C)c1n[nH]cc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000193387566 201043504 /nfs/dbraw/zinc/04/35/04/201043504.db2.gz JXSRYOPGVFGTBQ-UHFFFAOYSA-N 1 0 312.417 3.381 10 0 DGAERO CSCCCC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193438395 201052254 /nfs/dbraw/zinc/05/22/54/201052254.db2.gz LYUSZIWIGHVEAD-MRXNPFEDSA-N 1 0 302.443 3.099 10 0 DGAERO CSCCCC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193438383 201052347 /nfs/dbraw/zinc/05/23/47/201052347.db2.gz LYUSZIWIGHVEAD-INIZCTEOSA-N 1 0 302.443 3.099 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000193498877 201063982 /nfs/dbraw/zinc/06/39/82/201063982.db2.gz FITMGKPMFMEWQP-KXBFYZLASA-N 1 0 308.425 3.148 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1Cl ZINC000193582852 201080431 /nfs/dbraw/zinc/08/04/31/201080431.db2.gz SEVGQTJUBDBSPX-HNNXBMFYSA-N 1 0 304.825 3.152 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cc(C)ccc2C)o1 ZINC000193601351 201083791 /nfs/dbraw/zinc/08/37/91/201083791.db2.gz XMBSXRXUTCGBLI-JKSUJKDBSA-N 1 0 303.402 3.295 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)o1 ZINC000193601302 201084212 /nfs/dbraw/zinc/08/42/12/201084212.db2.gz HUICRIKVLALQCZ-JKSUJKDBSA-N 1 0 303.402 3.295 10 0 DGAERO CC[C@@H]1C[N@@H+]([C@@H](C)CN2CCOCC2)CC[C@H]1c1ccccc1 ZINC000246111656 432096722 /nfs/dbraw/zinc/09/67/22/432096722.db2.gz PRODZIOZHGWIMU-NLWGTHIKSA-N 1 0 316.489 3.223 10 0 DGAERO c1cn(C[C@H]2CCC[N@H+]2CCSCc2ccccc2)cn1 ZINC000193918608 201145325 /nfs/dbraw/zinc/14/53/25/201145325.db2.gz WNOLLSCOMXVREH-QGZVFWFLSA-N 1 0 301.459 3.281 10 0 DGAERO [NH3+]CCN(Cc1ccccc1)C(=O)Cc1cccc2ccccc21 ZINC000194184334 201192690 /nfs/dbraw/zinc/19/26/90/201192690.db2.gz PJBIYDZKFIRORE-UHFFFAOYSA-N 1 0 318.420 3.370 10 0 DGAERO COc1cccc(C)c1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000194989610 201323378 /nfs/dbraw/zinc/32/33/78/201323378.db2.gz CMXWUBVQUSITQX-HNNXBMFYSA-N 1 0 319.449 3.390 10 0 DGAERO CCCCOc1ccccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171080317 432099400 /nfs/dbraw/zinc/09/94/00/432099400.db2.gz AEGCPHAAEBAPIG-AWEZNQCLSA-N 1 0 305.422 3.033 10 0 DGAERO COc1cc(OC)cc([C@H]2CCN(Cc3nccs3)C2)c1 ZINC000135135978 432099895 /nfs/dbraw/zinc/09/98/95/432099895.db2.gz MQNCAWKLUYCYAM-LBPRGKRZSA-N 1 0 304.415 3.150 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@H](C)CC[C@H]2C)c1 ZINC000246142075 432099940 /nfs/dbraw/zinc/09/99/40/432099940.db2.gz JPDNURZDZOTTMV-HZPDHXFCSA-N 1 0 317.477 3.468 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COCc1ccc(OC)cc1 ZINC000246153246 432100058 /nfs/dbraw/zinc/10/00/58/432100058.db2.gz GHDSBDFMDMQPDD-QZTJIDSGSA-N 1 0 321.461 3.227 10 0 DGAERO O=S(=O)(CCC[N@@H+]1CCCC12CCC2)c1ccc(F)cc1 ZINC000444777540 239351954 /nfs/dbraw/zinc/35/19/54/239351954.db2.gz GDVLLVGSEPKTOC-UHFFFAOYSA-N 1 0 311.422 3.008 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)CC(C)(C)C1 ZINC000246145741 432100375 /nfs/dbraw/zinc/10/03/75/432100375.db2.gz KRXSMQJDSCFMMY-OWCLPIDISA-N 1 0 302.466 3.250 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCCC23CCC3)C1 ZINC000444849263 239364371 /nfs/dbraw/zinc/36/43/71/239364371.db2.gz OGVWWXZKWXKEHJ-HOTGVXAUSA-N 1 0 307.482 3.083 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(COC)c2)[C@@H](C)C1 ZINC000245952613 202554620 /nfs/dbraw/zinc/55/46/20/202554620.db2.gz BJAZAFVXJVWHAX-YOEHRIQHSA-N 1 0 319.449 3.027 10 0 DGAERO Cc1ccc(S(=O)(=O)CCC[N@@H+]2C[C@H](C)CC[C@H]2C)cc1 ZINC000246159112 432100929 /nfs/dbraw/zinc/10/09/29/432100929.db2.gz UIGSNQWJZBODAH-HZPDHXFCSA-N 1 0 309.475 3.279 10 0 DGAERO CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H](C)c1cc2ccccc2o1 ZINC000246264078 202577077 /nfs/dbraw/zinc/57/70/77/202577077.db2.gz LHJUEPHOQGXOJF-BPLDGKMQSA-N 1 0 300.402 3.470 10 0 DGAERO CCCc1cnc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000180829445 432101592 /nfs/dbraw/zinc/10/15/92/432101592.db2.gz PFDOFVWFCZYNOX-CYBMUJFWSA-N 1 0 322.478 3.188 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246163004 432101910 /nfs/dbraw/zinc/10/19/10/432101910.db2.gz IWSFNNJURMSNTN-HLLBOEOZSA-N 1 0 316.445 3.173 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(-c2ccoc2)n1 ZINC000247146033 202649734 /nfs/dbraw/zinc/64/97/34/202649734.db2.gz JXGCNMBVGMYWEV-DOMZBBRYSA-N 1 0 303.431 3.072 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000171084940 432101986 /nfs/dbraw/zinc/10/19/86/432101986.db2.gz SUFHEFUTKJRFNA-SNVBAGLBSA-N 1 0 319.302 3.012 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1cccs1 ZINC000090938771 192957191 /nfs/dbraw/zinc/95/71/91/192957191.db2.gz VNCCIRDQGHOXJH-QWHCGFSZSA-N 1 0 313.426 3.197 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000135170051 432103622 /nfs/dbraw/zinc/10/36/22/432103622.db2.gz OYXHQCRCHDFMKI-GDBMZVCRSA-N 1 0 301.459 3.377 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246174472 432103923 /nfs/dbraw/zinc/10/39/23/432103923.db2.gz BMHOLYBKEFNMDQ-UMPJEAMMSA-N 1 0 304.409 3.253 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000074713417 283803283 /nfs/dbraw/zinc/80/32/83/283803283.db2.gz SLALWIJHVOHSPP-UHFFFAOYSA-N 1 0 321.440 3.089 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c(F)cccc2Cl)C1 ZINC000246178578 432104164 /nfs/dbraw/zinc/10/41/64/432104164.db2.gz BZJCCEPGKXNFRL-FZMZJTMJSA-N 1 0 310.800 3.035 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc(Br)c1O ZINC000135172374 432104227 /nfs/dbraw/zinc/10/42/27/432104227.db2.gz RECZYCXODYVORO-MWLCHTKSSA-N 1 0 314.223 3.442 10 0 DGAERO Cc1c(NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cnn1C ZINC000449252040 240092118 /nfs/dbraw/zinc/09/21/18/240092118.db2.gz PPWYGBNQZZVXAS-OAHLLOKOSA-N 1 0 312.461 3.236 10 0 DGAERO Cc1c(NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cnn1C ZINC000449252039 240092713 /nfs/dbraw/zinc/09/27/13/240092713.db2.gz PPWYGBNQZZVXAS-HNNXBMFYSA-N 1 0 312.461 3.236 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2CCSC2)sc1Br ZINC000449400954 240177519 /nfs/dbraw/zinc/17/75/19/240177519.db2.gz KRAQHYOHANXMBP-QMMMGPOBSA-N 1 0 307.282 3.057 10 0 DGAERO C[C@@H](CCCO)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449410157 240182768 /nfs/dbraw/zinc/18/27/68/240182768.db2.gz YBHIYKOHYCLXBC-AWEZNQCLSA-N 1 0 307.434 3.140 10 0 DGAERO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)Cc1c(OC)cc(OC)cc1OC ZINC000449469882 240223975 /nfs/dbraw/zinc/22/39/75/240223975.db2.gz VNUAMYDZMZAZDC-XJKCOSOUSA-N 1 0 307.434 3.422 10 0 DGAERO c1cn(-c2csc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)c2)cn1 ZINC000449482700 240235013 /nfs/dbraw/zinc/23/50/13/240235013.db2.gz ZJBSOEOXVLMHRU-AWEZNQCLSA-N 1 0 317.458 3.373 10 0 DGAERO OC[C@H]([C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C1CC1)C1CC1 ZINC000449503106 240251943 /nfs/dbraw/zinc/25/19/43/240251943.db2.gz HLHXWMPVXDSCCO-FYOYPEGLSA-N 1 0 303.421 3.458 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000275353525 212287887 /nfs/dbraw/zinc/28/78/87/212287887.db2.gz AHFGTCDSGMPXOA-LHHMISFZSA-N 1 0 303.450 3.222 10 0 DGAERO CC(C)CC1(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCC1 ZINC000091370161 193047021 /nfs/dbraw/zinc/04/70/21/193047021.db2.gz JKXIAUUSDFVLOR-AWEZNQCLSA-N 1 0 324.490 3.201 10 0 DGAERO Cc1cc2ncc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c(C)n2n1 ZINC000091727451 193098483 /nfs/dbraw/zinc/09/84/83/193098483.db2.gz IYLSKQKNULCBCP-KBXCAEBGSA-N 1 0 318.465 3.184 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2nccs2)C1 ZINC000091736145 193098807 /nfs/dbraw/zinc/09/88/07/193098807.db2.gz JTHNRWGHKSQQJK-OLZOCXBDSA-N 1 0 303.431 3.081 10 0 DGAERO Cc1n[nH]c2cc(NC(=O)[C@H](C)[NH+]3CCCCCC3)ccc12 ZINC000091834931 193115153 /nfs/dbraw/zinc/11/51/53/193115153.db2.gz YODIPIFOIRUTNM-ZDUSSCGKSA-N 1 0 300.406 3.074 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000450728672 240838306 /nfs/dbraw/zinc/83/83/06/240838306.db2.gz PKJQCWQSEWRSEO-ZIBATOQPSA-N 1 0 317.351 3.127 10 0 DGAERO COCC[C@@H]([NH2+]C[C@H](O)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000451697457 241211507 /nfs/dbraw/zinc/21/15/07/241211507.db2.gz WGTDLHSVTIOBCF-CABCVRRESA-N 1 0 319.367 3.390 10 0 DGAERO CCCOCc1ccccc1C[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453072483 241613893 /nfs/dbraw/zinc/61/38/93/241613893.db2.gz YGVJXLQOGCUKGZ-INIZCTEOSA-N 1 0 321.461 3.287 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2nc(C)ccc2c1 ZINC000246246626 432111421 /nfs/dbraw/zinc/11/14/21/432111421.db2.gz DUJLCVIBBIUHBK-ROUUACIJSA-N 1 0 323.440 3.242 10 0 DGAERO C[C@@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1ccc(Cl)s1 ZINC000135359957 432113790 /nfs/dbraw/zinc/11/37/90/432113790.db2.gz VZDOGIPVKXUOKA-SNVBAGLBSA-N 1 0 315.870 3.198 10 0 DGAERO CCN(Cc1nnc(C2CCC2)n1C)Cc1ccc(OC)cc1 ZINC000181107852 432114378 /nfs/dbraw/zinc/11/43/78/432114378.db2.gz PVWORACPXVQINA-UHFFFAOYSA-N 1 0 314.433 3.113 10 0 DGAERO COc1c(C)cc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1C ZINC000092095950 193155697 /nfs/dbraw/zinc/15/56/97/193155697.db2.gz IOZIWLOQTHSVSZ-FGTMMUONSA-N 1 0 319.445 3.080 10 0 DGAERO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C)n2)s1 ZINC000092740077 284007881 /nfs/dbraw/zinc/00/78/81/284007881.db2.gz UHMNOKHIJBNCRT-LBPRGKRZSA-N 1 0 305.447 3.195 10 0 DGAERO CCC[C@H](C(=O)Nc1cccc(Br)c1C)[NH+](C)C ZINC000094091603 284015987 /nfs/dbraw/zinc/01/59/87/284015987.db2.gz IXEWQJWDHWWEEF-CYBMUJFWSA-N 1 0 313.239 3.426 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093693128 284013942 /nfs/dbraw/zinc/01/39/42/284013942.db2.gz MRYIRKVLFKBIOV-KRWDZBQOSA-N 1 0 304.478 3.476 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C2CCC2)CC1 ZINC000102905383 284024644 /nfs/dbraw/zinc/02/46/44/284024644.db2.gz MMAFEYKYAGOLMS-KRWDZBQOSA-N 1 0 307.482 3.083 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccccc3C2)cc1 ZINC000102686413 284023009 /nfs/dbraw/zinc/02/30/09/284023009.db2.gz ONGZNNAIONNEHA-MRXNPFEDSA-N 1 0 322.452 3.485 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1nccn1C ZINC000183404940 299385611 /nfs/dbraw/zinc/38/56/11/299385611.db2.gz WWWSGWRQUSFQAC-APHBMKBZSA-N 1 0 318.852 3.170 10 0 DGAERO CSC[C@H]1CCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000135418867 432117430 /nfs/dbraw/zinc/11/74/30/432117430.db2.gz VTPRWRVFHCBCFS-MRXNPFEDSA-N 1 0 305.422 3.339 10 0 DGAERO O=C(NCC1CCCCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000459005341 243225877 /nfs/dbraw/zinc/22/58/77/243225877.db2.gz GIFQGMQPBCZGFI-QGZVFWFLSA-N 1 0 307.482 3.084 10 0 DGAERO CCC[NH+]1CCC(N(C)Cc2nc(C)c3ccccc3n2)CC1 ZINC000111240524 284076859 /nfs/dbraw/zinc/07/68/59/284076859.db2.gz KGAYJRODWNOHPP-UHFFFAOYSA-N 1 0 312.461 3.244 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)c1ccccc1Cl ZINC000113232701 284100563 /nfs/dbraw/zinc/10/05/63/284100563.db2.gz KDYBLAFMJZUNKY-UONOGXRCSA-N 1 0 320.864 3.313 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc2ccccc21 ZINC000113606707 284103069 /nfs/dbraw/zinc/10/30/69/284103069.db2.gz PWMNEBGNOPNNDN-MAUKXSAKSA-N 1 0 323.440 3.218 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)CC[NH2+]1 ZINC000261549614 203076405 /nfs/dbraw/zinc/07/64/05/203076405.db2.gz KRULUXQZAHAUJA-YJBOKZPZSA-N 1 0 324.424 3.136 10 0 DGAERO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)C1CCC1 ZINC000246583914 296132584 /nfs/dbraw/zinc/13/25/84/296132584.db2.gz YVEHLMBWASBWDT-IIAWOOMASA-N 1 0 308.491 3.288 10 0 DGAERO C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000261563727 203077544 /nfs/dbraw/zinc/07/75/44/203077544.db2.gz XGQGXQCRNHYCCV-DNVCBOLYSA-N 1 0 324.424 3.075 10 0 DGAERO C[NH+](C)CCN(CC1CCCCC1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000468113793 244023059 /nfs/dbraw/zinc/02/30/59/244023059.db2.gz RTKLRZWRRQUDLS-PIIMJCKOSA-N 1 0 306.494 3.393 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[C@H]2C(C)C)n1 ZINC000468977213 244076008 /nfs/dbraw/zinc/07/60/08/244076008.db2.gz MWVCQEKRDRJPCB-STQMWFEESA-N 1 0 310.463 3.277 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116126846 284118785 /nfs/dbraw/zinc/11/87/85/284118785.db2.gz CMUPRGVNFPNBAW-WBVHZDCISA-N 1 0 304.478 3.348 10 0 DGAERO CC[C@H](C)C[NH2+]C[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000093082027 193200368 /nfs/dbraw/zinc/20/03/68/193200368.db2.gz CFVMTUUDQRWYQL-LSDHHAIUSA-N 1 0 306.450 3.166 10 0 DGAERO C[N@H+](CCOCC(F)(F)C(F)(F)F)C[C@@H]1CC=CCC1 ZINC000469771863 244121964 /nfs/dbraw/zinc/12/19/64/244121964.db2.gz GSVZPHUPOXQUQQ-LLVKDONJSA-N 1 0 301.299 3.489 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000093094526 193203284 /nfs/dbraw/zinc/20/32/84/193203284.db2.gz RHPLTGFDVIPHLX-UHFFFAOYSA-N 1 0 300.855 3.138 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)CCC2CC2)CC1 ZINC000470329781 244166609 /nfs/dbraw/zinc/16/66/09/244166609.db2.gz CUOYCWDIHORPHS-OAHLLOKOSA-N 1 0 309.498 3.329 10 0 DGAERO COc1cccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000470940323 244195753 /nfs/dbraw/zinc/19/57/53/244195753.db2.gz MQRFALNTMVKVBN-SMDDNHRTSA-N 1 0 303.324 3.347 10 0 DGAERO CCCC1(CNC(=O)N2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000471080164 244203385 /nfs/dbraw/zinc/20/33/85/244203385.db2.gz GJHZBRWIBZNAFM-UHFFFAOYSA-N 1 0 309.498 3.330 10 0 DGAERO CCC[N@@H+](Cc1ccc(C(=O)OCC)o1)C[C@H]1CCCCO1 ZINC000093132509 193205138 /nfs/dbraw/zinc/20/51/38/193205138.db2.gz WXBNZICLTMTTML-CQSZACIVSA-N 1 0 309.406 3.237 10 0 DGAERO c1cc(C2OCCO2)ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282264892 216868118 /nfs/dbraw/zinc/86/81/18/216868118.db2.gz RBHHYDMVSJIJHP-QGZVFWFLSA-N 1 0 317.429 3.171 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000119303494 284140197 /nfs/dbraw/zinc/14/01/97/284140197.db2.gz GAPNTVCGNLKMHL-OAHLLOKOSA-N 1 0 304.434 3.392 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@@H]1CCN(c2ccccc2OC)C1 ZINC000119683132 284148823 /nfs/dbraw/zinc/14/88/23/284148823.db2.gz HCCKYJBNENYDRP-HZPDHXFCSA-N 1 0 306.450 3.069 10 0 DGAERO C[C@H]1C[C@@H]1c1ccc(CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)o1 ZINC000262473284 203304204 /nfs/dbraw/zinc/30/42/04/203304204.db2.gz XBRFPFPGMGCBQU-WSMBLCCSSA-N 1 0 316.445 3.282 10 0 DGAERO CC[C@@H]1CCCCCN1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000120185800 284162700 /nfs/dbraw/zinc/16/27/00/284162700.db2.gz GXVYDAULQGMSGQ-IAGOWNOFSA-N 1 0 309.498 3.471 10 0 DGAERO CC[C@H]1CCCCCN1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000120185669 284162711 /nfs/dbraw/zinc/16/27/11/284162711.db2.gz GXVYDAULQGMSGQ-IRXDYDNUSA-N 1 0 309.498 3.471 10 0 DGAERO Cc1cc(C)cc(CCC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000120062494 284160335 /nfs/dbraw/zinc/16/03/35/284160335.db2.gz QRNMYQDQUSFVLY-UHFFFAOYSA-N 1 0 316.489 3.473 10 0 DGAERO CCC[N@H+](CCc1cccc(F)c1)Cc1c(C)nn(C)c1OC ZINC000093437775 193251219 /nfs/dbraw/zinc/25/12/19/193251219.db2.gz MWTCCUQYNMXQRD-UHFFFAOYSA-N 1 0 319.424 3.331 10 0 DGAERO Cc1cc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)ccc1-n1cncn1 ZINC000093437947 193251697 /nfs/dbraw/zinc/25/16/97/193251697.db2.gz NLCSDGXEBGGAGS-SFHVURJKSA-N 1 0 322.416 3.026 10 0 DGAERO COc1c(C[N@H+](CCc2cccc(F)c2)C2CC2)c(C)nn1C ZINC000093438600 193253088 /nfs/dbraw/zinc/25/30/88/193253088.db2.gz QDXRCSLBNIKSFQ-UHFFFAOYSA-N 1 0 317.408 3.083 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n[nH]1 ZINC000093387323 193241797 /nfs/dbraw/zinc/24/17/97/193241797.db2.gz JHIUSBRMYQPDPY-HNNXBMFYSA-N 1 0 307.401 3.179 10 0 DGAERO Cn1nccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387258 193242370 /nfs/dbraw/zinc/24/23/70/193242370.db2.gz VFFPPPKESSYKKK-INIZCTEOSA-N 1 0 321.428 3.190 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(C(=O)N(C)C)[nH]2)cc1 ZINC000093535006 193266293 /nfs/dbraw/zinc/26/62/93/193266293.db2.gz GHAJLLQCVNTTOR-HNNXBMFYSA-N 1 0 313.445 3.088 10 0 DGAERO COc1ccccc1/C=C/CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597655 193272833 /nfs/dbraw/zinc/27/28/33/193272833.db2.gz VBFPZOUVRNHQTN-JKNJVXJCSA-N 1 0 300.446 3.126 10 0 DGAERO COc1c(C[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(C)nn1C ZINC000093735862 193297833 /nfs/dbraw/zinc/29/78/33/193297833.db2.gz WMDLFHAFXNDAPM-SJKOYZFVSA-N 1 0 317.408 3.459 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CCN1C ZINC000093644206 193280828 /nfs/dbraw/zinc/28/08/28/193280828.db2.gz MTYJSYIKNXHQHZ-YOEHRIQHSA-N 1 0 302.462 3.315 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CCN1C ZINC000093644465 193281426 /nfs/dbraw/zinc/28/14/26/193281426.db2.gz ANXXWZAZTZOPKH-CXAGYDPISA-N 1 0 316.424 3.130 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246339854 432121151 /nfs/dbraw/zinc/12/11/51/432121151.db2.gz IVUUOUTWBIRMDL-IXDOHACOSA-N 1 0 309.498 3.327 10 0 DGAERO c1csc(Cn2cccc2C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000093819981 193312620 /nfs/dbraw/zinc/31/26/20/193312620.db2.gz CBYLILREAVMOBV-QGZVFWFLSA-N 1 0 302.443 3.210 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093945887 193331511 /nfs/dbraw/zinc/33/15/11/193331511.db2.gz MQDLAZGZOSFWKI-KBPBESRZSA-N 1 0 314.477 3.385 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(Cl)c(Br)c1 ZINC000094670553 193391931 /nfs/dbraw/zinc/39/19/31/193391931.db2.gz YFWAPXZRASSUQP-MRVPVSSYSA-N 1 0 317.614 3.041 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(Cl)ccc1Cl ZINC000094460472 193371183 /nfs/dbraw/zinc/37/11/83/193371183.db2.gz XOVKRMBBVAQKSY-WDEREUQCSA-N 1 0 300.233 3.057 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000120862395 284180305 /nfs/dbraw/zinc/18/03/05/284180305.db2.gz ANXAENFTRCTKHB-SWLSCSKDSA-N 1 0 309.841 3.499 10 0 DGAERO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c(F)c2)cc1 ZINC000120892477 284180830 /nfs/dbraw/zinc/18/08/30/284180830.db2.gz KFOBBKMNVCPXQU-CYBMUJFWSA-N 1 0 316.376 3.432 10 0 DGAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC(C)(C)C)C1 ZINC000246347854 432121299 /nfs/dbraw/zinc/12/12/99/432121299.db2.gz JOABNKBJSNFOHT-JKSUJKDBSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279678839 296151416 /nfs/dbraw/zinc/15/14/16/296151416.db2.gz GTCKJTWSWYYKOV-SQWLQELKSA-N 1 0 319.449 3.378 10 0 DGAERO CC[NH2+]CCCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095091572 193422418 /nfs/dbraw/zinc/42/24/18/193422418.db2.gz AHECBDAMADPDTQ-UHFFFAOYSA-N 1 0 304.434 3.425 10 0 DGAERO c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000181285301 432122216 /nfs/dbraw/zinc/12/22/16/432122216.db2.gz BMCMASWIWZASCG-KRWDZBQOSA-N 1 0 319.412 3.246 10 0 DGAERO C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1c(Br)cnn1C ZINC000487309821 245048241 /nfs/dbraw/zinc/04/82/41/245048241.db2.gz OYEITHAJGCKZCK-NWDGAFQWSA-N 1 0 314.271 3.489 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCC1CCC1)c1ccc(-c2cccnc2)cc1 ZINC000181303174 432122725 /nfs/dbraw/zinc/12/27/25/432122725.db2.gz PRQFLKFLOPSXHQ-HNNXBMFYSA-N 1 0 323.440 3.316 10 0 DGAERO O=C(CC[NH+]1C[C@H]2CCCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000488165708 245155544 /nfs/dbraw/zinc/15/55/44/245155544.db2.gz DAAFFTQPYBZBDJ-HZPDHXFCSA-N 1 0 315.413 3.153 10 0 DGAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000190104685 432123060 /nfs/dbraw/zinc/12/30/60/432123060.db2.gz NHQMZADFUGXCJF-OAHLLOKOSA-N 1 0 309.454 3.412 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000489072094 245269667 /nfs/dbraw/zinc/26/96/67/245269667.db2.gz KRRXLBJBFOZQJP-BRWVUGGUSA-N 1 0 314.473 3.434 10 0 DGAERO Fc1cccc(-c2cnc(CN3CCOCC34CCC4)o2)c1 ZINC000135539139 432123953 /nfs/dbraw/zinc/12/39/53/432123953.db2.gz NLLJNCBVECTZSI-UHFFFAOYSA-N 1 0 302.349 3.236 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000125092417 284269763 /nfs/dbraw/zinc/26/97/63/284269763.db2.gz WERJHGWDAFGMFO-XGHPGWEVSA-N 1 0 307.482 3.081 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]2C2CCC2)CC1 ZINC000125203496 284271074 /nfs/dbraw/zinc/27/10/74/284271074.db2.gz QGEQFSWKIXCQCT-PREGVCBESA-N 1 0 307.482 3.081 10 0 DGAERO C[C@@H]1CCCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125302171 284273249 /nfs/dbraw/zinc/27/32/49/284273249.db2.gz ZJHGIGUVYHGSMH-KZYLPZIUSA-N 1 0 309.498 3.232 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(C(C)(C)C)cc1 ZINC000125536431 284278277 /nfs/dbraw/zinc/27/82/77/284278277.db2.gz QFGHNTRBPMJKIM-DNVCBOLYSA-N 1 0 305.462 3.424 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000282508313 217050167 /nfs/dbraw/zinc/05/01/67/217050167.db2.gz XFYFBUVCHIXXSS-IGJMFERPSA-N 1 0 301.217 3.311 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)cc1F ZINC000126616641 284311667 /nfs/dbraw/zinc/31/16/67/284311667.db2.gz AXLXIWXSEILCOO-CABCVRRESA-N 1 0 306.425 3.432 10 0 DGAERO C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000246372519 432125686 /nfs/dbraw/zinc/12/56/86/432125686.db2.gz IDACAPHLFVSIKU-BEFAXECRSA-N 1 0 308.425 3.250 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246373752 432125838 /nfs/dbraw/zinc/12/58/38/432125838.db2.gz QJQXSBHIHRTLMF-HRCADAONSA-N 1 0 303.450 3.180 10 0 DGAERO CC(C)Cc1ccc([C@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000126834654 284318519 /nfs/dbraw/zinc/31/85/19/284318519.db2.gz OYXOXPSVZLXRHH-YJBOKZPZSA-N 1 0 302.462 3.151 10 0 DGAERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+][C@H]1CCCC12CCOCC2 ZINC000282714660 217196163 /nfs/dbraw/zinc/19/61/63/217196163.db2.gz LQUYKOOUVFRMJP-ZBFHGGJFSA-N 1 0 302.418 3.104 10 0 DGAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(Br)cc1F ZINC000127268114 284332941 /nfs/dbraw/zinc/33/29/41/284332941.db2.gz DWAYZVQENZYXSB-SILCLGDVSA-N 1 0 302.187 3.010 10 0 DGAERO CCC[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)C[C@@H]1CCCCO1 ZINC000246393469 432127166 /nfs/dbraw/zinc/12/71/66/432127166.db2.gz WAOBVFMIACRREG-QAPCUYQASA-N 1 0 322.493 3.057 10 0 DGAERO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127427417 284339280 /nfs/dbraw/zinc/33/92/80/284339280.db2.gz ABJUOVTZYOVDJB-CHWSQXEVSA-N 1 0 302.187 3.245 10 0 DGAERO CC(C)[N@H+](C)CCNCc1ccc(Br)c(F)c1 ZINC000127433568 284339293 /nfs/dbraw/zinc/33/92/93/284339293.db2.gz KDTCVKIUOGFWNX-UHFFFAOYSA-N 1 0 303.219 3.018 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)c1ccc(F)c(Cl)c1 ZINC000127515777 284342786 /nfs/dbraw/zinc/34/27/86/284342786.db2.gz YORCMOGSRNPYHI-UHFFFAOYSA-N 1 0 309.772 3.262 10 0 DGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000127605776 284345685 /nfs/dbraw/zinc/34/56/85/284345685.db2.gz KIPZDUGGFCTWAR-GWCFXTLKSA-N 1 0 318.642 3.353 10 0 DGAERO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000190158386 432128643 /nfs/dbraw/zinc/12/86/43/432128643.db2.gz PWXJQUAGSKJZCV-XKQJLSEDSA-N 1 0 315.417 3.019 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000190163036 432128683 /nfs/dbraw/zinc/12/86/83/432128683.db2.gz NOWPPGWWMMWEDQ-UHFFFAOYSA-N 1 0 321.465 3.174 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)Cc2cccs2)[C@H](C)C1 ZINC000246423758 432129144 /nfs/dbraw/zinc/12/91/44/432129144.db2.gz LZKYHIGJJNZIEZ-FMKPAKJESA-N 1 0 323.506 3.051 10 0 DGAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190186484 432129306 /nfs/dbraw/zinc/12/93/06/432129306.db2.gz NCLNVVZENSPXLG-MNOVXSKESA-N 1 0 308.388 3.200 10 0 DGAERO CC[C@@H](CC(=O)N1CCC([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000128741009 284385571 /nfs/dbraw/zinc/38/55/71/284385571.db2.gz GLZQTQAXEQKYOP-HNNXBMFYSA-N 1 0 318.461 3.132 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+]C(C3CC3)C3CC3)C2)c1 ZINC000128763159 284385979 /nfs/dbraw/zinc/38/59/79/284385979.db2.gz FYQLDFNDVFRNER-MRXNPFEDSA-N 1 0 300.446 3.442 10 0 DGAERO CCc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)s1 ZINC000282978179 217363702 /nfs/dbraw/zinc/36/37/02/217363702.db2.gz ZNCBSKKNEOVYBM-LLVKDONJSA-N 1 0 313.467 3.051 10 0 DGAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019256409 182111450 /nfs/dbraw/zinc/11/14/50/182111450.db2.gz ZBWNSHVTQGGYIV-HZMBPMFUSA-N 1 0 315.230 3.462 10 0 DGAERO [NH3+]C[C@@H](c1ccc(Br)o1)N1CCc2ccccc2C1 ZINC000019261862 182111704 /nfs/dbraw/zinc/11/17/04/182111704.db2.gz LQBUXJRFHUIVKT-ZDUSSCGKSA-N 1 0 321.218 3.100 10 0 DGAERO Fc1cccc(CC[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)c1 ZINC000019114042 182105218 /nfs/dbraw/zinc/10/52/18/182105218.db2.gz YXKHBRLBFYNQKJ-IBGZPJMESA-N 1 0 314.404 3.444 10 0 DGAERO CCCOc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246435118 432130457 /nfs/dbraw/zinc/13/04/57/432130457.db2.gz NNCBAWJVZMYOAS-GDBMZVCRSA-N 1 0 319.449 3.326 10 0 DGAERO NC(=[NH2+])c1ccc(COc2ccccc2Br)cc1 ZINC000019510001 182126733 /nfs/dbraw/zinc/12/67/33/182126733.db2.gz JXTBCCGMEJGSSQ-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc(Cl)c1OC ZINC000135631203 432131194 /nfs/dbraw/zinc/13/11/94/432131194.db2.gz IFEGMTDQAXJVTN-ZIAGYGMSSA-N 1 0 313.825 3.140 10 0 DGAERO [NH3+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Br ZINC000019841502 182155700 /nfs/dbraw/zinc/15/57/00/182155700.db2.gz XVTUJFQRHDECNB-HNNXBMFYSA-N 1 0 320.186 3.268 10 0 DGAERO NC(=[NH2+])c1ccc(CSc2nc3ccccc3[nH]2)c(F)c1 ZINC000019848188 182156378 /nfs/dbraw/zinc/15/63/78/182156378.db2.gz KYHDDVMEFVCMJC-UHFFFAOYSA-N 1 0 300.362 3.278 10 0 DGAERO COc1ccc2cc(C[NH2+]CC[C@@H](C)[S@@](C)=O)ccc2c1 ZINC000129503840 284412032 /nfs/dbraw/zinc/41/20/32/284412032.db2.gz YYWGRIPOULEFGH-ASSNKEHSSA-N 1 0 305.443 3.095 10 0 DGAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])[C@H]1CCCO1 ZINC000019967873 182171403 /nfs/dbraw/zinc/17/14/03/182171403.db2.gz PGQTUCVKSAVWHP-MNOVXSKESA-N 1 0 320.614 3.290 10 0 DGAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])[C@@H]1CCCO1 ZINC000019967871 182171754 /nfs/dbraw/zinc/17/17/54/182171754.db2.gz PGQTUCVKSAVWHP-QWRGUYRKSA-N 1 0 320.614 3.290 10 0 DGAERO C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000020315884 182205658 /nfs/dbraw/zinc/20/56/58/182205658.db2.gz OGZJQSSAIBRZKE-JTQLQIEISA-N 1 0 317.260 3.429 10 0 DGAERO COc1cccc(CN(C)[C@@H](C[NH3+])c2ccccc2Cl)c1 ZINC000020225918 182198427 /nfs/dbraw/zinc/19/84/27/182198427.db2.gz DNAHMUJRBVADHN-KRWDZBQOSA-N 1 0 304.821 3.480 10 0 DGAERO COc1ccc([C@@H](C[NH3+])N(C)Cc2cccc(Cl)c2)cc1 ZINC000020225862 182198655 /nfs/dbraw/zinc/19/86/55/182198655.db2.gz NBROZSWUWNVBGW-QGZVFWFLSA-N 1 0 304.821 3.480 10 0 DGAERO Cc1ccc(SCC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000129934601 284427581 /nfs/dbraw/zinc/42/75/81/284427581.db2.gz YTIHTNURQMWUPZ-UHFFFAOYSA-N 1 0 320.502 3.324 10 0 DGAERO COc1cccc([C@H](C)C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000130008149 284429487 /nfs/dbraw/zinc/42/94/87/284429487.db2.gz ZYGMODKQKQPNPT-UQPPLGOBSA-N 1 0 318.461 3.035 10 0 DGAERO Fc1cccc(Cl)c1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020561589 182232672 /nfs/dbraw/zinc/23/26/72/182232672.db2.gz VVXXXDYLSAFIDY-LLVKDONJSA-N 1 0 307.752 3.409 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C/C=C/c1cccc(F)c1 ZINC000246445999 432132717 /nfs/dbraw/zinc/13/27/17/432132717.db2.gz LFNWMWRGSLBFPT-VFXWJFPTSA-N 1 0 318.436 3.466 10 0 DGAERO Cc1cnc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000246444158 432133014 /nfs/dbraw/zinc/13/30/14/432133014.db2.gz DJTQVSBSGZURPO-JKSUJKDBSA-N 1 0 304.365 3.210 10 0 DGAERO CCCOc1ccc(Br)cc1C[NH2+]C(C)(C)CO ZINC000020929160 182254280 /nfs/dbraw/zinc/25/42/80/182254280.db2.gz VVPFPNILOWESPF-UHFFFAOYSA-N 1 0 316.239 3.098 10 0 DGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000135715862 432133552 /nfs/dbraw/zinc/13/35/52/432133552.db2.gz LNOWXAWHDSMKCA-CHWSQXEVSA-N 1 0 316.214 3.371 10 0 DGAERO CC[C@]1(C)CN(Cc2ncc(-c3cccc(F)c3)o2)CCO1 ZINC000135691522 432133935 /nfs/dbraw/zinc/13/39/35/432133935.db2.gz HYKAGHCBWRUYGY-QGZVFWFLSA-N 1 0 304.365 3.482 10 0 DGAERO CCSc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000171441487 432133966 /nfs/dbraw/zinc/13/39/66/432133966.db2.gz MKYIZYYPUDKSPU-UKRRQHHQSA-N 1 0 321.490 3.205 10 0 DGAERO C[C@@H]1CC(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000495335304 246259444 /nfs/dbraw/zinc/25/94/44/246259444.db2.gz FNVMVLGZXCODOG-CHWSQXEVSA-N 1 0 314.470 3.083 10 0 DGAERO CCSc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000171441485 432135237 /nfs/dbraw/zinc/13/52/37/432135237.db2.gz MKYIZYYPUDKSPU-ZFWWWQNUSA-N 1 0 321.490 3.205 10 0 DGAERO C[C@H]([NH2+]C1CC(F)(F)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495905157 246325328 /nfs/dbraw/zinc/32/53/28/246325328.db2.gz LNKGLCVLLNTRHN-NWDGAFQWSA-N 1 0 318.408 3.409 10 0 DGAERO CC[C@@H](C)[C@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccccn1 ZINC000027521977 182474897 /nfs/dbraw/zinc/47/48/97/182474897.db2.gz FLQLIOAESQMRTQ-APWZRJJASA-N 1 0 319.493 3.360 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C/C=C/c2cccc(F)c2)[C@@H](C)C1 ZINC000246482695 432136468 /nfs/dbraw/zinc/13/64/68/432136468.db2.gz PWHRHJKWSGVMRT-UCSQHBGMSA-N 1 0 318.436 3.418 10 0 DGAERO c1cc(-c2noc(C[NH2+][C@H](Cc3ccccc3)C3CC3)n2)co1 ZINC000181557674 432136561 /nfs/dbraw/zinc/13/65/61/432136561.db2.gz SKTRZPIOBYYXBC-MRXNPFEDSA-N 1 0 309.369 3.441 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2CCOc2cccc(Cl)c2)cn1 ZINC000171504834 432137646 /nfs/dbraw/zinc/13/76/46/432137646.db2.gz DGTBRJYPDRVLJJ-MRXNPFEDSA-N 1 0 305.809 3.289 10 0 DGAERO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000246500683 432137771 /nfs/dbraw/zinc/13/77/71/432137771.db2.gz HRJGGLLEGZOFCI-KNXALSJPSA-N 1 0 319.380 3.166 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c(s2)CCCC3)C1 ZINC000246511767 432139903 /nfs/dbraw/zinc/13/99/03/432139903.db2.gz FKCAQEPXFBJQAK-GJZGRUSLSA-N 1 0 318.486 3.183 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(OC(C)C)cc3)[C@@H]2C1 ZINC000246511837 432140161 /nfs/dbraw/zinc/14/01/61/432140161.db2.gz KMQZPPZEQYAEFL-GUDVDZBRSA-N 1 0 319.445 3.242 10 0 DGAERO CCOc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190287542 432140603 /nfs/dbraw/zinc/14/06/03/432140603.db2.gz DCEVADNBSCQUPK-WMZOPIPTSA-N 1 0 317.454 3.355 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC000246533661 432141700 /nfs/dbraw/zinc/14/17/00/432141700.db2.gz WWOMWEDEKUHWKS-MBOZVWFJSA-N 1 0 314.473 3.270 10 0 DGAERO C[C@@H]([NH2+]C1CCCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954812 182854826 /nfs/dbraw/zinc/85/48/26/182854826.db2.gz BFNPGZVEWACKJM-CYBMUJFWSA-N 1 0 310.463 3.098 10 0 DGAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000037220671 182873274 /nfs/dbraw/zinc/87/32/74/182873274.db2.gz RXEBULIMKNTABJ-VIFPVBQESA-N 1 0 316.232 3.187 10 0 DGAERO CC(C)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037231660 182874116 /nfs/dbraw/zinc/87/41/16/182874116.db2.gz IHXCYWJCOAECDM-ZIAGYGMSSA-N 1 0 312.479 3.199 10 0 DGAERO CCCOc1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246561536 432143463 /nfs/dbraw/zinc/14/34/63/432143463.db2.gz WSLBNDLMNSZXTE-RHSMWYFYSA-N 1 0 319.449 3.326 10 0 DGAERO Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1F ZINC000171550875 432143578 /nfs/dbraw/zinc/14/35/78/432143578.db2.gz DWNQOODTVGCJQQ-HNNXBMFYSA-N 1 0 305.397 3.226 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCSc3ccccc3)[C@H]2C1 ZINC000246554816 432144004 /nfs/dbraw/zinc/14/40/04/432144004.db2.gz LMJFVTIHXARTIP-HYVNUMGLSA-N 1 0 307.459 3.047 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000246561291 432143832 /nfs/dbraw/zinc/14/38/32/432143832.db2.gz KQEXNKQYEBDZIM-KGLIPLIRSA-N 1 0 307.438 3.246 10 0 DGAERO Fc1ccccc1NC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000181766242 432144320 /nfs/dbraw/zinc/14/43/20/432144320.db2.gz POPOVLSGTWXVEG-GOSISDBHSA-N 1 0 322.424 3.245 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000246551434 432144483 /nfs/dbraw/zinc/14/44/83/432144483.db2.gz CYXPWKXBDYYJDT-QZTJIDSGSA-N 1 0 316.489 3.494 10 0 DGAERO Cc1ccc(NC(=O)[C@@H](C)C2CCOCC2)c(C[NH+](C)C)c1 ZINC000151864703 284585834 /nfs/dbraw/zinc/58/58/34/284585834.db2.gz XPURUCILFGEINJ-AWEZNQCLSA-N 1 0 304.434 3.058 10 0 DGAERO CCCc1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246569927 432146021 /nfs/dbraw/zinc/14/60/21/432146021.db2.gz XKUGIVJQGWPSGC-PBHICJAKSA-N 1 0 303.450 3.489 10 0 DGAERO C[C@](CO)([NH2+]Cc1cc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000136194708 432146958 /nfs/dbraw/zinc/14/69/58/432146958.db2.gz IMDKPGGNGMKCLO-LJQANCHMSA-N 1 0 313.445 3.498 10 0 DGAERO CC[C@@H](NC(=O)CCC[NH2+]C)c1ccc(Br)cc1 ZINC000037611115 182913074 /nfs/dbraw/zinc/91/30/74/182913074.db2.gz OWKTVGCQNKCDJF-CYBMUJFWSA-N 1 0 313.239 3.016 10 0 DGAERO CCOc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1Cl ZINC000037765781 182923912 /nfs/dbraw/zinc/92/39/12/182923912.db2.gz KUKUXSVCAWIBBR-UHFFFAOYSA-N 1 0 304.777 3.450 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037806567 182928104 /nfs/dbraw/zinc/92/81/04/182928104.db2.gz KCIZEMRYMLWSML-ZANVPECISA-N 1 0 301.217 3.265 10 0 DGAERO CCN(Cc1ccccc1Cl)C(=O)c1ccc(C[NH3+])cc1 ZINC000037808770 182928314 /nfs/dbraw/zinc/92/83/14/182928314.db2.gz OIEGDBNFBMTNDM-UHFFFAOYSA-N 1 0 302.805 3.461 10 0 DGAERO COC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000171593752 432149251 /nfs/dbraw/zinc/14/92/51/432149251.db2.gz JUBBCYOHZSTQQW-OAHLLOKOSA-N 1 0 318.461 3.102 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCN1Cc1ccccc1 ZINC000268952548 432149381 /nfs/dbraw/zinc/14/93/81/432149381.db2.gz CQCAMCVNEXCYSC-MDNKFWRPSA-N 1 0 316.489 3.180 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2cc(C)oc2C)CC1 ZINC000102007413 193855213 /nfs/dbraw/zinc/85/52/13/193855213.db2.gz QFGUJLVWROAZHI-CQSZACIVSA-N 1 0 321.465 3.379 10 0 DGAERO CC(C)(C)NNc1[nH+]cnc(Oc2cccc3cccnc32)c1N ZINC000040752192 183128948 /nfs/dbraw/zinc/12/89/48/183128948.db2.gz MAADJTXMEDMXLY-UHFFFAOYSA-N 1 0 324.388 3.114 10 0 DGAERO CCOc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000136217127 432149709 /nfs/dbraw/zinc/14/97/09/432149709.db2.gz JTGUDKDOOVBRHH-UHFFFAOYSA-N 1 0 316.401 3.447 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(Br)cc1 ZINC000042213544 183243938 /nfs/dbraw/zinc/24/39/38/183243938.db2.gz BOPREVJZJXKXRV-JTQLQIEISA-N 1 0 313.239 3.014 10 0 DGAERO CCO[C@H]1CCC[N@H+](Cc2ccc(N)cc2Br)C1 ZINC000042408557 183264965 /nfs/dbraw/zinc/26/49/65/183264965.db2.gz FIRITEBRJXFFHB-ZDUSSCGKSA-N 1 0 313.239 3.032 10 0 DGAERO CCO[C@@H]1CCC[N@H+](Cc2c(N)cccc2Br)C1 ZINC000042408488 183265517 /nfs/dbraw/zinc/26/55/17/183265517.db2.gz GZJMWVIJJZZAGI-LLVKDONJSA-N 1 0 313.239 3.032 10 0 DGAERO CCN(Cc1c(F)cccc1F)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246630620 432150210 /nfs/dbraw/zinc/15/02/10/432150210.db2.gz KHQGZVJFZLCZAY-JLZZUVOBSA-N 1 0 322.399 3.234 10 0 DGAERO CCC[NH2+]Cc1cnn(-c2cccc(Br)c2)c1C ZINC000042355855 183257610 /nfs/dbraw/zinc/25/76/10/183257610.db2.gz PYPATKOQRJXKIT-UHFFFAOYSA-N 1 0 308.223 3.443 10 0 DGAERO C[N@@H+]1CC[C@H](n2c(=S)[nH]c3cc(Br)ccc32)C1 ZINC000042548465 183282985 /nfs/dbraw/zinc/28/29/85/183282985.db2.gz FCPVSGLGJCVGAL-VIFPVBQESA-N 1 0 312.236 3.338 10 0 DGAERO [NH3+]C[C@H](OC[C@H]1CCCCO1)c1ccc(Br)cc1 ZINC000042957420 183322601 /nfs/dbraw/zinc/32/26/01/183322601.db2.gz APTFIIAILBMJID-KGLIPLIRSA-N 1 0 314.223 3.035 10 0 DGAERO C[C@@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000042957271 183322709 /nfs/dbraw/zinc/32/27/09/183322709.db2.gz RKJMMEVCARYSLG-SWHYSGLUSA-N 1 0 314.223 3.033 10 0 DGAERO Cc1cc(C)n([C@H](c2ccc(Br)cc2)[C@@H](C)[NH3+])n1 ZINC000042955879 183322757 /nfs/dbraw/zinc/32/27/57/183322757.db2.gz AJMUYDCHTRNBPZ-RISCZKNCSA-N 1 0 308.223 3.199 10 0 DGAERO CCCCOCCO[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957847 183323730 /nfs/dbraw/zinc/32/37/30/183323730.db2.gz CXQSJJORFVARIY-CQSZACIVSA-N 1 0 316.239 3.282 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)n1cc(C)cn1 ZINC000043022163 183329552 /nfs/dbraw/zinc/32/95/52/183329552.db2.gz KCSVIUGEPXTACI-KBPBESRZSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@@H]([NH3+])[C@@H](Sc1ncccn1)c1cccc(Br)c1 ZINC000043024640 183331387 /nfs/dbraw/zinc/33/13/87/183331387.db2.gz XFROQXSHUJCWJY-BXKDBHETSA-N 1 0 324.247 3.420 10 0 DGAERO C[C@H]([NH3+])[C@H](Sc1ncccn1)c1cccc(Br)c1 ZINC000043024633 183331512 /nfs/dbraw/zinc/33/15/12/183331512.db2.gz XFROQXSHUJCWJY-CABZTGNLSA-N 1 0 324.247 3.420 10 0 DGAERO O[C@H](C[NH2+]C[C@H]1CCCCO1)c1cc(Cl)ccc1Cl ZINC000042819742 183312732 /nfs/dbraw/zinc/31/27/32/183312732.db2.gz LRZUOKYEIAVNIW-BXUZGUMPSA-N 1 0 304.217 3.186 10 0 DGAERO C[C@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1ccccc1Br ZINC000043094648 183337508 /nfs/dbraw/zinc/33/75/08/183337508.db2.gz PFRRHLSKFHQPJC-COPLHBTASA-N 1 0 314.223 3.033 10 0 DGAERO Cc1cc(C)n([C@@H](c2ccccc2Br)[C@H](C)[NH3+])n1 ZINC000043093702 183336536 /nfs/dbraw/zinc/33/65/36/183336536.db2.gz JYVULIVAWLUMPM-SMDDNHRTSA-N 1 0 308.223 3.199 10 0 DGAERO CN(Cc1sccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043676984 183378940 /nfs/dbraw/zinc/37/89/40/183378940.db2.gz CAGOMHHSXIRZCL-ZACCUICWSA-N 1 0 315.280 3.225 10 0 DGAERO CC[N@H+](CCC(N)=S)Cc1sccc1Br ZINC000043675550 183379045 /nfs/dbraw/zinc/37/90/45/183379045.db2.gz UIBCHDOOKPEHPK-UHFFFAOYSA-N 1 0 307.282 3.009 10 0 DGAERO CCC(CC)[N@H+](CCO)Cc1sccc1Br ZINC000043678228 183379540 /nfs/dbraw/zinc/37/95/40/183379540.db2.gz IZOGMYQZHAHVHT-UHFFFAOYSA-N 1 0 306.269 3.494 10 0 DGAERO Cc1cc(Cl)c(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1Cl ZINC000153916757 284700714 /nfs/dbraw/zinc/70/07/14/284700714.db2.gz KGRNNZOGEAFQBW-JTQLQIEISA-N 1 0 316.232 3.470 10 0 DGAERO c1cnn(CCCCC[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000104680999 194026292 /nfs/dbraw/zinc/02/62/92/194026292.db2.gz SKPPFXWUSNNBGZ-HNNXBMFYSA-N 1 0 304.463 3.390 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1F ZINC000105802375 194132884 /nfs/dbraw/zinc/13/28/84/194132884.db2.gz CJXOWDCIPZBOOV-OCCSQVGLSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H](c1ccccc1F)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805707 194133980 /nfs/dbraw/zinc/13/39/80/194133980.db2.gz TUJORXWNOZKWSL-ZDUSSCGKSA-N 1 0 300.381 3.253 10 0 DGAERO CC[C@@H](c1ccccc1)[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864862 194150502 /nfs/dbraw/zinc/15/05/02/194150502.db2.gz AIPZLCSBFICLOB-PBHICJAKSA-N 1 0 314.433 3.208 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H]1CCCc2sccc21 ZINC000163304174 284763034 /nfs/dbraw/zinc/76/30/34/284763034.db2.gz XYWZPLAMDILUAQ-GXTWGEPZSA-N 1 0 309.479 3.155 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)CC2 ZINC000105873907 194153918 /nfs/dbraw/zinc/15/39/18/194153918.db2.gz OKRCMYOGQSYFMZ-WFASDCNBSA-N 1 0 302.397 3.206 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)c1cc(C)sc1C ZINC000049132310 284762853 /nfs/dbraw/zinc/76/28/53/284762853.db2.gz APUVPIGGKIURIW-WCQYABFASA-N 1 0 311.495 3.455 10 0 DGAERO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106079284 194184076 /nfs/dbraw/zinc/18/40/76/194184076.db2.gz ZJNPRAZUWLJGOY-GOSISDBHSA-N 1 0 310.445 3.194 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000106215470 194190292 /nfs/dbraw/zinc/19/02/92/194190292.db2.gz QCWBCZPPCDPULF-KRWDZBQOSA-N 1 0 313.445 3.334 10 0 DGAERO CCC[NH2+][C@H](COC)Cc1ccc(F)c(Br)c1 ZINC000049684637 183753734 /nfs/dbraw/zinc/75/37/34/183753734.db2.gz FCJGZHHOYIZWRS-NSHDSACASA-N 1 0 304.203 3.145 10 0 DGAERO Brc1ccc(COCC[C@H]2CCC[NH2+]C2)s1 ZINC000051917778 183841515 /nfs/dbraw/zinc/84/15/15/183841515.db2.gz BDRYVQQCJSRRGX-SNVBAGLBSA-N 1 0 304.253 3.417 10 0 DGAERO Brc1ccc(-n2cc(CCC[NH2+]C3CC3)cn2)cc1 ZINC000054680469 183948396 /nfs/dbraw/zinc/94/83/96/183948396.db2.gz SISXMBIGHQDZMO-UHFFFAOYSA-N 1 0 320.234 3.319 10 0 DGAERO CC[C@@H]([NH3+])c1cnn(Cc2cc(Br)ccc2OC)c1 ZINC000054717367 183949068 /nfs/dbraw/zinc/94/90/68/183949068.db2.gz KVESVDZBVRFMFH-CYBMUJFWSA-N 1 0 324.222 3.112 10 0 DGAERO CC(C)C[NH2+]Cc1cnn(Cc2ccccc2Br)c1 ZINC000054720304 183949258 /nfs/dbraw/zinc/94/92/58/183949258.db2.gz SOMDDQXJTFTHTK-UHFFFAOYSA-N 1 0 322.250 3.440 10 0 DGAERO CCOc1ccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)cc1F ZINC000056702790 184017419 /nfs/dbraw/zinc/01/74/19/184017419.db2.gz UWBUJMTYIXCREN-GFCCVEGCSA-N 1 0 311.401 3.076 10 0 DGAERO CC[NH+](CC)CCCCNc1cc(C)nc(-c2ccncc2)n1 ZINC000112077630 194430990 /nfs/dbraw/zinc/43/09/90/194430990.db2.gz DTMWDOOFZSDLBQ-UHFFFAOYSA-N 1 0 313.449 3.381 10 0 DGAERO CCCOc1ccccc1C[NH2+]CCCOc1ccccn1 ZINC000057353396 184035209 /nfs/dbraw/zinc/03/52/09/184035209.db2.gz XHZUORJVSLAFDN-UHFFFAOYSA-N 1 0 300.402 3.429 10 0 DGAERO COc1ccc([C@@H](C[NH3+])Nc2cccc(Cl)c2)c(OC)c1 ZINC000057637745 184043374 /nfs/dbraw/zinc/04/33/74/184043374.db2.gz HJDBNUQLGDNWLL-OAHLLOKOSA-N 1 0 306.793 3.469 10 0 DGAERO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246344445 284887009 /nfs/dbraw/zinc/88/70/09/284887009.db2.gz VBDYIWFDSLMQJN-OVRXAANBSA-N 1 0 321.509 3.469 10 0 DGAERO CCCc1noc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2OC)n1 ZINC000058525771 184121359 /nfs/dbraw/zinc/12/13/59/184121359.db2.gz MMLRIRZKISCUSC-OAHLLOKOSA-N 1 0 315.417 3.238 10 0 DGAERO C[NH+]1CCC(NC(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000061030979 184160546 /nfs/dbraw/zinc/16/05/46/184160546.db2.gz FICHDZYEEBUENL-UHFFFAOYSA-N 1 0 308.425 3.101 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611984 184178509 /nfs/dbraw/zinc/17/85/09/184178509.db2.gz VXQZYPFAACFWFZ-MRXNPFEDSA-N 1 0 302.805 3.041 10 0 DGAERO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000061612334 184178787 /nfs/dbraw/zinc/17/87/87/184178787.db2.gz DZYJYPCBVORCOK-MLGOLLRUSA-N 1 0 302.805 3.260 10 0 DGAERO CC[NH2+]CC1(Cc2cccc(Br)c2)CCOCC1 ZINC000061674135 184181591 /nfs/dbraw/zinc/18/15/91/184181591.db2.gz IQDNVOQBCWXJCJ-UHFFFAOYSA-N 1 0 312.251 3.398 10 0 DGAERO CC1(C)CCN([C@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000061819147 184188527 /nfs/dbraw/zinc/18/85/27/184188527.db2.gz DOXAGNPSUYWYGU-SNVBAGLBSA-N 1 0 301.228 3.164 10 0 DGAERO C[C@@H](c1cc(Cl)ccc1Cl)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246550094 284906772 /nfs/dbraw/zinc/90/67/72/284906772.db2.gz DJQABZMZDJQTAL-AAEUAGOBSA-N 1 0 317.260 3.317 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000246533672 284905573 /nfs/dbraw/zinc/90/55/73/284905573.db2.gz WWOMWEDEKUHWKS-QKLQHJQFSA-N 1 0 314.473 3.270 10 0 DGAERO C[C@H]([NH3+])Cc1ccc(OCc2cccnc2)c(Br)c1 ZINC000062704217 184248987 /nfs/dbraw/zinc/24/89/87/184248987.db2.gz DOGILVYTJDXIMO-NSHDSACASA-N 1 0 321.218 3.313 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccoc1 ZINC000246827995 284924073 /nfs/dbraw/zinc/92/40/73/284924073.db2.gz BNFRTWXSGSCQRT-QLFBSQMISA-N 1 0 315.417 3.139 10 0 DGAERO O[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000065288590 184323282 /nfs/dbraw/zinc/32/32/82/184323282.db2.gz UULPSCLJILDSTJ-SFHVURJKSA-N 1 0 300.377 3.166 10 0 DGAERO Cc1cccc([C@H]2C[C@@H]2C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000065565817 184366980 /nfs/dbraw/zinc/36/69/80/184366980.db2.gz IEDFKNPCNUGWQL-MOPGFXCFSA-N 1 0 314.473 3.430 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000248502507 285002144 /nfs/dbraw/zinc/00/21/44/285002144.db2.gz UJKXBMCXMQVSCY-ZACQAIPSSA-N 1 0 302.466 3.204 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248570086 285006761 /nfs/dbraw/zinc/00/67/61/285006761.db2.gz LUGDKCJOHLFNHM-AEFFLSMTSA-N 1 0 302.462 3.246 10 0 DGAERO CCCCOC[C@@H](O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000248659517 285015741 /nfs/dbraw/zinc/01/57/41/285015741.db2.gz VICJIOLVWHQJHE-HKUYNNGSSA-N 1 0 303.446 3.316 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000248661245 285015757 /nfs/dbraw/zinc/01/57/57/285015757.db2.gz WYMWJYBMGHWXFB-MSOLQXFVSA-N 1 0 321.461 3.016 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](CCCc1ccc3c(c1)CCO3)CC2 ZINC000248658833 285015796 /nfs/dbraw/zinc/01/57/96/285015796.db2.gz BVIRHUPLRSTWNL-ICSRJNTNSA-N 1 0 315.457 3.181 10 0 DGAERO O=C1[C@H]([NH2+]C/C=C/c2ccccc2)CCN1Cc1ccc(F)cc1 ZINC000191765134 252756206 /nfs/dbraw/zinc/75/62/06/252756206.db2.gz YEFSDUDGWVEWCB-ZLHKHBAESA-N 1 0 324.399 3.230 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)c(Br)c1 ZINC000119624288 195005512 /nfs/dbraw/zinc/00/55/12/195005512.db2.gz KKGLCTWZGQCOPA-GTNSWQLSSA-N 1 0 318.280 3.004 10 0 DGAERO CCOCCN1CC[N@H+](CC[C@H](C)c2ccccc2)C[C@H]1C ZINC000248887216 285036272 /nfs/dbraw/zinc/03/62/72/285036272.db2.gz MMQMYILMOHTOPT-ZWKOTPCHSA-N 1 0 304.478 3.223 10 0 DGAERO C[C@@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CCCO1 ZINC000119663636 195012344 /nfs/dbraw/zinc/01/23/44/195012344.db2.gz OZDHQHYVFYCVMU-ZDUSSCGKSA-N 1 0 302.187 3.247 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1cnccn1 ZINC000119673196 195014460 /nfs/dbraw/zinc/01/44/60/195014460.db2.gz DFWDSXCOTWQWOS-FUHWJXTLSA-N 1 0 310.445 3.182 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000119670691 195014770 /nfs/dbraw/zinc/01/47/70/195014770.db2.gz YNCYMZWUBVHVOE-HZPDHXFCSA-N 1 0 318.486 3.247 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cncc(F)c1 ZINC000120001512 195077473 /nfs/dbraw/zinc/07/74/73/195077473.db2.gz IZWFESILVPIPMJ-BXUZGUMPSA-N 1 0 320.799 3.199 10 0 DGAERO CC1(C)C[C@@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)C(C)(C)O1 ZINC000120015505 195080564 /nfs/dbraw/zinc/08/05/64/195080564.db2.gz VAYPAECIALMRCK-GXTWGEPZSA-N 1 0 323.868 3.249 10 0 DGAERO CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1OC ZINC000249136164 285059305 /nfs/dbraw/zinc/05/93/05/285059305.db2.gz DUSIFNVSTNXBMH-KDOFPFPSSA-N 1 0 307.434 3.341 10 0 DGAERO COC[C@@H](C)CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000249192245 285062822 /nfs/dbraw/zinc/06/28/22/285062822.db2.gz AFJQJKMNKYWTQA-SWLSCSKDSA-N 1 0 317.351 3.361 10 0 DGAERO Cc1nc(C)c(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)s1 ZINC000333145255 252937710 /nfs/dbraw/zinc/93/77/10/252937710.db2.gz LRIXJHCROKATHR-CYBMUJFWSA-N 1 0 322.478 3.002 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000333203093 252941871 /nfs/dbraw/zinc/94/18/71/252941871.db2.gz YMJWAJPMUIPPHD-WCQYABFASA-N 1 0 322.478 3.310 10 0 DGAERO CCCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)ccc1OC ZINC000249244742 285064650 /nfs/dbraw/zinc/06/46/50/285064650.db2.gz XAKDHURTGXBVOL-KDOFPFPSSA-N 1 0 307.434 3.341 10 0 DGAERO COC[C@H](C)CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000249192242 285062547 /nfs/dbraw/zinc/06/25/47/285062547.db2.gz AFJQJKMNKYWTQA-IUODEOHRSA-N 1 0 317.351 3.361 10 0 DGAERO Cc1coc2ccc(NC(=O)N(C)[C@H]3CCC[NH2+]CC3)cc12 ZINC000333354621 252950139 /nfs/dbraw/zinc/95/01/39/252950139.db2.gz RVYMEEQUGPKPHX-AWEZNQCLSA-N 1 0 301.390 3.347 10 0 DGAERO O=C(N[C@@H]1CCCC[NH2+]C1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000333822376 252973671 /nfs/dbraw/zinc/97/36/71/252973671.db2.gz LBLPMUKFDJYGTO-OAHLLOKOSA-N 1 0 321.852 3.161 10 0 DGAERO C[C@H](CNC(=O)N(C)Cc1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249531811 285079835 /nfs/dbraw/zinc/07/98/35/285079835.db2.gz ZPSHHQMBQCSMKP-HUUCEWRRSA-N 1 0 321.440 3.088 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000336908196 253020919 /nfs/dbraw/zinc/02/09/19/253020919.db2.gz ZSQUXBKLNRPFFK-LLVKDONJSA-N 1 0 320.177 3.384 10 0 DGAERO C[C@H](C1CC1)[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000249707753 285084894 /nfs/dbraw/zinc/08/48/94/285084894.db2.gz BQBLXFVQVGTOPO-DGCLKSJQSA-N 1 0 318.383 3.050 10 0 DGAERO COC[C@@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000249878895 285090457 /nfs/dbraw/zinc/09/04/57/285090457.db2.gz HICXRQCAXXEPNH-MOPGFXCFSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000270272283 208337230 /nfs/dbraw/zinc/33/72/30/208337230.db2.gz KMMDAYSLLSIUHA-AYHJJNSGSA-N 1 0 308.429 3.393 10 0 DGAERO C[C@H](C(=O)N[C@@H]1CCCc2c(O)cccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253353084 285107985 /nfs/dbraw/zinc/10/79/85/285107985.db2.gz VKIDAKORWZFPPC-UMPJEAMMSA-N 1 0 316.445 3.147 10 0 DGAERO COc1cc(C[NH2+][C@H]2CSC2(C)C)cc(Cl)c1OC ZINC000338480102 253295058 /nfs/dbraw/zinc/29/50/58/253295058.db2.gz CERMZPCHTKKFFY-LBPRGKRZSA-N 1 0 301.839 3.341 10 0 DGAERO C[NH+](C)Cc1cccc(CNC(=O)NC/C=C\c2ccccc2)c1 ZINC000254957959 285115243 /nfs/dbraw/zinc/11/52/43/285115243.db2.gz MIVRZWDIWUAPAO-GHXNOFRVSA-N 1 0 323.440 3.261 10 0 DGAERO c1csc([C@H](CNc2ccnc3cccnc32)[NH+]2CCCC2)c1 ZINC000338638636 253324481 /nfs/dbraw/zinc/32/44/81/253324481.db2.gz WZTNTLFSFBFNFA-INIZCTEOSA-N 1 0 324.453 3.362 10 0 DGAERO c1ccc(C[N@H+]2CCC[C@H]2CNc2ccnc3cccnc32)cc1 ZINC000338667880 253330079 /nfs/dbraw/zinc/33/00/79/253330079.db2.gz DBQDPKJMFJSGFF-KRWDZBQOSA-N 1 0 318.424 3.128 10 0 DGAERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1F ZINC000159032910 197320853 /nfs/dbraw/zinc/32/08/53/197320853.db2.gz YPBUAEWREDZNBN-KBXCAEBGSA-N 1 0 314.404 3.176 10 0 DGAERO CN(C)c1ncccc1CNC(=O)CC/C=C\c1ccccc1 ZINC000255001063 285118766 /nfs/dbraw/zinc/11/87/66/285118766.db2.gz XCIHVJDLOQWBDZ-WDZFZDKYSA-N 1 0 309.413 3.257 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(F)c(C)c2)[C@H](C)C1 ZINC000158415555 197269713 /nfs/dbraw/zinc/26/97/13/197269713.db2.gz VXLPWANBNJWYLD-GDBMZVCRSA-N 1 0 306.425 3.245 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)NC/C=C\c2ccccc2)CC1 ZINC000255391426 285152795 /nfs/dbraw/zinc/15/27/95/285152795.db2.gz WSDHPPCXFWBWAU-YFHOEESVSA-N 1 0 315.461 3.264 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C/C=C\c1ccc(C)cc1 ZINC000255502036 285159614 /nfs/dbraw/zinc/15/96/14/285159614.db2.gz WMDVPOLDOXDVMJ-LZCIBIBXSA-N 1 0 300.446 3.341 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCCn1ccnn1 ZINC000342229852 253949630 /nfs/dbraw/zinc/94/96/30/253949630.db2.gz LMPDZEVQJZDJAF-JLHYYAGUSA-N 1 0 324.350 3.380 10 0 DGAERO c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000342908859 254072951 /nfs/dbraw/zinc/07/29/51/254072951.db2.gz CBACLCXOUQYAQY-IAGOWNOFSA-N 1 0 311.429 3.121 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)c2)cn1 ZINC000342822225 254060165 /nfs/dbraw/zinc/06/01/65/254060165.db2.gz KIPKKYHOSFGPDV-HZPDHXFCSA-N 1 0 303.431 3.077 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C[C@H](C)O1 ZINC000343504068 254152430 /nfs/dbraw/zinc/15/24/30/254152430.db2.gz CWIGWFJFQGCXSQ-HNJRGHQBSA-N 1 0 316.489 3.444 10 0 DGAERO c1cn(Cc2ccccc2)c(CNC2CC[NH+](C3CCC3)CC2)n1 ZINC000343764214 254185825 /nfs/dbraw/zinc/18/58/25/254185825.db2.gz KHOPTLVUTLVVMV-UHFFFAOYSA-N 1 0 324.472 3.038 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C/C=C\c1ccc(F)cc1 ZINC000255891180 285184816 /nfs/dbraw/zinc/18/48/16/285184816.db2.gz AXLZVSXCAVJSIC-MXNAJAOXSA-N 1 0 316.420 3.314 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000344961583 254319308 /nfs/dbraw/zinc/31/93/08/254319308.db2.gz WBMSFMMGTQWGEY-GXTWGEPZSA-N 1 0 313.850 3.485 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262641647 285196252 /nfs/dbraw/zinc/19/62/52/285196252.db2.gz RYKLJPYGVLPQLO-FGTMMUONSA-N 1 0 302.462 3.292 10 0 DGAERO CCC[N@H+](CC)CCN[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000156811984 197142151 /nfs/dbraw/zinc/14/21/51/197142151.db2.gz QJQXAHDXTQEAFV-CQSZACIVSA-N 1 0 321.465 3.036 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000155440085 197055006 /nfs/dbraw/zinc/05/50/06/197055006.db2.gz RBSACRKNWBRDER-HOTGVXAUSA-N 1 0 319.449 3.309 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000155440185 197054740 /nfs/dbraw/zinc/05/47/40/197054740.db2.gz RBSACRKNWBRDER-HZPDHXFCSA-N 1 0 319.449 3.309 10 0 DGAERO C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000155076261 197020066 /nfs/dbraw/zinc/02/00/66/197020066.db2.gz HSUAYCRXSHPQBP-VNHYZAJKSA-N 1 0 324.415 3.400 10 0 DGAERO C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000155076182 197020102 /nfs/dbraw/zinc/02/01/02/197020102.db2.gz HSUAYCRXSHPQBP-UMVBOHGHSA-N 1 0 324.415 3.400 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000282432531 285228876 /nfs/dbraw/zinc/22/88/76/285228876.db2.gz MKKMAAOWXVJLQR-UHFFFAOYSA-N 1 0 307.438 3.039 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@H](OC)C(C)(C)C)cc1NC(C)=O ZINC000154969771 197008986 /nfs/dbraw/zinc/00/89/86/197008986.db2.gz ACKOUJGMGCZAKU-SJCJKPOMSA-N 1 0 322.449 3.365 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C)c2C)[C@H](C)C1 ZINC000120368963 195153238 /nfs/dbraw/zinc/15/32/38/195153238.db2.gz SHRRUJPTXWWMBK-PBHICJAKSA-N 1 0 303.450 3.497 10 0 DGAERO Cc1nc2cc(NC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)ccc2o1 ZINC000120575296 195193573 /nfs/dbraw/zinc/19/35/73/195193573.db2.gz ZMJVWJWYFHQDKU-TUAOUCFPSA-N 1 0 301.390 3.336 10 0 DGAERO C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1c(F)cccc1F ZINC000120576255 195193970 /nfs/dbraw/zinc/19/39/70/195193970.db2.gz TXQGTBBRBGSLAM-CYBMUJFWSA-N 1 0 322.399 3.155 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120501132 195179520 /nfs/dbraw/zinc/17/95/20/195179520.db2.gz ODTJLBSVVHLNKH-SWLSCSKDSA-N 1 0 323.412 3.075 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)CC2 ZINC000120556351 195189695 /nfs/dbraw/zinc/18/96/95/195189695.db2.gz HZCZDWFMXUCVPQ-CWTRNNRKSA-N 1 0 313.445 3.254 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000120752634 195231576 /nfs/dbraw/zinc/23/15/76/195231576.db2.gz ROINEPZFUWTGKX-VXGBXAGGSA-N 1 0 315.417 3.047 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000120720515 195223338 /nfs/dbraw/zinc/22/33/38/195223338.db2.gz YCTIADRZYOLPAY-CZUORRHYSA-N 1 0 307.413 3.328 10 0 DGAERO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc(C)c1O ZINC000302796109 285278901 /nfs/dbraw/zinc/27/89/01/285278901.db2.gz XBYWYWMMIWXPKL-IBGZPJMESA-N 1 0 310.441 3.373 10 0 DGAERO Cc1cc2cc([C@H](C)[NH2+][C@H]3CCC(=O)N(C)C3)oc2cc1C ZINC000152371324 196815306 /nfs/dbraw/zinc/81/53/06/196815306.db2.gz ZFRBXHGJOAUUHC-ZFWWWQNUSA-N 1 0 300.402 3.321 10 0 DGAERO Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)s1 ZINC000120898742 195260683 /nfs/dbraw/zinc/26/06/83/195260683.db2.gz YKXYEIJCAHLPOK-UHFFFAOYSA-N 1 0 312.442 3.479 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc2c1COC2 ZINC000341395747 285323104 /nfs/dbraw/zinc/32/31/04/285323104.db2.gz GEUNJRVIKACUSK-SZVBFZGTSA-N 1 0 301.430 3.402 10 0 DGAERO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](CNc4ccccn4)[C@@H]3C2)nc1 ZINC000248123251 257107838 /nfs/dbraw/zinc/10/78/38/257107838.db2.gz VYZAOHYMKFZPSJ-AOIWGVFYSA-N 1 0 322.456 3.437 10 0 DGAERO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccccn2)s1 ZINC000248111974 257110001 /nfs/dbraw/zinc/11/00/01/257110001.db2.gz RBRMQJXSLKLEAV-MSOLQXFVSA-N 1 0 313.470 3.300 10 0 DGAERO FC(F)(F)OCCC[NH2+]Cc1cccc(Br)c1 ZINC000096308414 257133630 /nfs/dbraw/zinc/13/36/30/257133630.db2.gz AKUJSLLWTQYMOW-UHFFFAOYSA-N 1 0 312.129 3.465 10 0 DGAERO COc1ccc(C[C@@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]2OC)cc1 ZINC000247919154 257115086 /nfs/dbraw/zinc/11/50/86/257115086.db2.gz NREKRLKYPKSBJZ-MJGOQNOKSA-N 1 0 315.413 3.368 10 0 DGAERO c1ccc(N[C@@H]2CCO[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)nc1 ZINC000253596859 257105118 /nfs/dbraw/zinc/10/51/18/257105118.db2.gz WOAQSLUXIDPQIJ-QAPCUYQASA-N 1 0 301.434 3.060 10 0 DGAERO COC[C@]1(C)CC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000295190015 224521908 /nfs/dbraw/zinc/52/19/08/224521908.db2.gz XCKWZEHASDTNLQ-MRXNPFEDSA-N 1 0 315.360 3.155 10 0 DGAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000248008814 285340998 /nfs/dbraw/zinc/34/09/98/285340998.db2.gz LARCNBFDDBVYPI-YQVWRLOYSA-N 1 0 313.372 3.287 10 0 DGAERO O[C@@]1(C(F)(F)F)CCC[N@H+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000312839759 285342586 /nfs/dbraw/zinc/34/25/86/285342586.db2.gz VLIDBBDDROGNTE-QWRGUYRKSA-N 1 0 301.299 3.201 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2)c1ccccc1 ZINC000275905496 285351345 /nfs/dbraw/zinc/35/13/45/285351345.db2.gz IUMJHBUYRKJRII-ZWKOTPCHSA-N 1 0 311.429 3.159 10 0 DGAERO Clc1snnc1CN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000071886746 184889003 /nfs/dbraw/zinc/88/90/03/184889003.db2.gz AZCOQTWWGSUEDY-GFCCVEGCSA-N 1 0 314.886 3.032 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)ncc1Cl ZINC000121707158 195331824 /nfs/dbraw/zinc/33/18/24/195331824.db2.gz BIHDMISQBKPVGD-JTQLQIEISA-N 1 0 318.248 3.095 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000121914281 195373609 /nfs/dbraw/zinc/37/36/09/195373609.db2.gz SFLGDROTYMZOIL-CQSZACIVSA-N 1 0 320.387 3.085 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(-c2cccnc2)cc1 ZINC000121965558 195382960 /nfs/dbraw/zinc/38/29/60/195382960.db2.gz IZUHUJBVAUICGR-IAQYHMDHSA-N 1 0 310.319 3.322 10 0 DGAERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121981374 195385836 /nfs/dbraw/zinc/38/58/36/195385836.db2.gz QBSMPHDZUXULKK-BPQIPLTHSA-N 1 0 304.478 3.147 10 0 DGAERO O=C(NCCC1=CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000121999536 195387854 /nfs/dbraw/zinc/38/78/54/195387854.db2.gz XNWSRZPCMAOIDI-UHFFFAOYSA-N 1 0 305.466 3.193 10 0 DGAERO C[C@H]([NH2+]CCc1ccccc1F)c1ccc(-n2ccnn2)cc1 ZINC000123294197 195565789 /nfs/dbraw/zinc/56/57/89/195565789.db2.gz FKCYYJBDHUJZPI-AWEZNQCLSA-N 1 0 310.376 3.300 10 0 DGAERO CCSc1cc(Cl)ccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000123415457 195579102 /nfs/dbraw/zinc/57/91/02/195579102.db2.gz XULFRFRGRMKICJ-GFCCVEGCSA-N 1 0 312.866 3.228 10 0 DGAERO O=C(c1cccc2ccccc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127341808 195868399 /nfs/dbraw/zinc/86/83/99/195868399.db2.gz IXWMSRMEPFROQX-INIZCTEOSA-N 1 0 308.425 3.398 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000310506071 533280847 /nfs/dbraw/zinc/28/08/47/533280847.db2.gz SPQMFJFYINNVNL-ZJUUUORDSA-N 1 0 322.268 3.213 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000449554976 533404898 /nfs/dbraw/zinc/40/48/98/533404898.db2.gz PHBJZXRFFGEPLV-BMGYJQCNSA-N 1 0 312.335 3.058 10 0 DGAERO Cc1ccc(CN2CCC[C@H](C)[C@@H]2C[NH3+])c(Br)c1 ZINC000164120029 132129710 /nfs/dbraw/zinc/12/97/10/132129710.db2.gz GFTPAUPFHVAWSO-WFASDCNBSA-N 1 0 311.267 3.317 10 0 DGAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164199660 132131565 /nfs/dbraw/zinc/13/15/65/132131565.db2.gz HKDXPNKEOTVXRD-VHSXEESVSA-N 1 0 315.244 3.368 10 0 DGAERO C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000164382030 132160188 /nfs/dbraw/zinc/16/01/88/132160188.db2.gz WLYZITCDWYYVKZ-DTWKUNHWSA-N 1 0 301.217 3.026 10 0 DGAERO Cc1cc2nc(-c3ccccc3)c(N3CC[NH2+]CC3)n2c(C)c1 ZINC000095936027 292022551 /nfs/dbraw/zinc/02/25/51/292022551.db2.gz XMFRPILSHBNXAD-UHFFFAOYSA-N 1 0 306.413 3.028 10 0 DGAERO CC(C)[NH2+]CC1CCN(c2ccc(Br)cn2)CC1 ZINC000053664673 134770069 /nfs/dbraw/zinc/77/00/69/134770069.db2.gz FWWJWYSRESWBIH-UHFFFAOYSA-N 1 0 312.255 3.059 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(F)cc1Br ZINC000054601857 134773719 /nfs/dbraw/zinc/77/37/19/134773719.db2.gz KULWODWQQDARIV-YOGCLGLASA-N 1 0 313.214 3.437 10 0 DGAERO Cc1cccc(N(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000584805418 400105441 /nfs/dbraw/zinc/10/54/41/400105441.db2.gz VAKRNCSFUAVNHH-UHFFFAOYSA-N 1 0 309.413 3.262 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)CSCCF)c2ccccc21 ZINC000595033815 400083633 /nfs/dbraw/zinc/08/36/33/400083633.db2.gz DFBKRJJLWIYDMS-DOMZBBRYSA-N 1 0 310.438 3.165 10 0 DGAERO COC(=O)CCCC[NH2+][C@@H](C)c1ccccc1Br ZINC000609574581 400176993 /nfs/dbraw/zinc/17/69/93/400176993.db2.gz YNILDQPPXJHUGY-NSHDSACASA-N 1 0 314.223 3.443 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccc2cccnc2c1 ZINC000616585608 400178226 /nfs/dbraw/zinc/17/82/26/400178226.db2.gz SNLQMIHVULXIEB-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO Cc1cc(Nc2nc(Cl)cs2)nc(C2CC[NH2+]CC2)n1 ZINC000616588394 400179316 /nfs/dbraw/zinc/17/93/16/400179316.db2.gz DIBYSGZETLUVDC-UHFFFAOYSA-N 1 0 309.826 3.106 10 0 DGAERO C[N@@H+]1CCO[C@@H](c2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000616593973 400180170 /nfs/dbraw/zinc/18/01/70/400180170.db2.gz NIPDAJQMKZQSTQ-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3cccc4cnccc43)C2)cc1 ZINC000616600093 400181845 /nfs/dbraw/zinc/18/18/45/400181845.db2.gz APDJMRMASWYXRH-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cccc2ccncc21 ZINC000616604798 400182917 /nfs/dbraw/zinc/18/29/17/400182917.db2.gz NYZBQOUDGCHARM-INIZCTEOSA-N 1 0 313.401 3.116 10 0 DGAERO CCC[C@H](C(=O)OCC)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000609635616 400184195 /nfs/dbraw/zinc/18/41/95/400184195.db2.gz BLXCFONMTYABOO-QZTJIDSGSA-N 1 0 324.509 3.306 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2cccc3ncccc32)cc1 ZINC000616636671 400189264 /nfs/dbraw/zinc/18/92/64/400189264.db2.gz XDNMMFLTILJLBJ-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO C[C@H]1Cc2ccsc2[C@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000584883858 400120806 /nfs/dbraw/zinc/12/08/06/400120806.db2.gz SEERTPPSSYVTKR-MEDUHNTESA-N 1 0 308.447 3.118 10 0 DGAERO C1CC1c1nnc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)s1 ZINC000091482239 400122579 /nfs/dbraw/zinc/12/25/79/400122579.db2.gz ZWLKMGMJOXKVCA-CQSZACIVSA-N 1 0 306.479 3.260 10 0 DGAERO CCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000306826513 400127242 /nfs/dbraw/zinc/12/72/42/400127242.db2.gz ZMONHJUHANEODL-GFCCVEGCSA-N 1 0 301.171 3.278 10 0 DGAERO CNc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310108056 400133441 /nfs/dbraw/zinc/13/34/41/400133441.db2.gz DLFZIWVUDZGCJL-QGZVFWFLSA-N 1 0 323.440 3.075 10 0 DGAERO CCCC[NH+]1CCC(COC(=O)c2cccc3[nH]cnc32)CC1 ZINC000013491763 400151146 /nfs/dbraw/zinc/15/11/46/400151146.db2.gz OPNZHRLMVKTDOV-UHFFFAOYSA-N 1 0 315.417 3.232 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(F)ccc2OC(C)C)C1 ZINC000067307464 400161086 /nfs/dbraw/zinc/16/10/86/400161086.db2.gz KNBYUQFZGBVHLU-AWEZNQCLSA-N 1 0 323.412 3.219 10 0 DGAERO CCN(Cc1cccs1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690009 400224039 /nfs/dbraw/zinc/22/40/39/400224039.db2.gz UYSHTEJFTXORNI-QGZVFWFLSA-N 1 0 318.486 3.063 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc3ccccc3c2)C1 ZINC000379292373 400256243 /nfs/dbraw/zinc/25/62/43/400256243.db2.gz VVZQNZWOUUSPCC-LSDHHAIUSA-N 1 0 322.330 3.334 10 0 DGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2cc(Cl)ccc12 ZINC000588921240 400244139 /nfs/dbraw/zinc/24/41/39/400244139.db2.gz ADTPTVLMHBOEDW-CHWSQXEVSA-N 1 0 317.820 3.178 10 0 DGAERO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000601152505 400249789 /nfs/dbraw/zinc/24/97/89/400249789.db2.gz DDEACXAHZIMBBP-INIZCTEOSA-N 1 0 317.433 3.006 10 0 DGAERO CCOC(=O)c1ccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000616633479 400189988 /nfs/dbraw/zinc/18/99/88/400189988.db2.gz YGCIWACSTWAFQC-LJQANCHMSA-N 1 0 324.424 3.010 10 0 DGAERO CC(C)N1CC[NH2+]C[C@H]1c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000616637967 400191105 /nfs/dbraw/zinc/19/11/05/400191105.db2.gz SOSQJWIYSHEWRT-INIZCTEOSA-N 1 0 319.449 3.388 10 0 DGAERO CCN1CC[NH2+]C[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC000616638535 400191236 /nfs/dbraw/zinc/19/12/36/400191236.db2.gz XLXAGJYWDSMGDA-INIZCTEOSA-N 1 0 319.449 3.024 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2COCCN2C)cc1 ZINC000616641093 400191248 /nfs/dbraw/zinc/19/12/48/400191248.db2.gz AAZDNXZBSVYQBJ-HNNXBMFYSA-N 1 0 306.406 3.061 10 0 DGAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccccc1NC(=O)OC(C)(C)C ZINC000616637905 400191783 /nfs/dbraw/zinc/19/17/83/400191783.db2.gz SIADFDBQVNBBLG-MRXNPFEDSA-N 1 0 319.449 3.388 10 0 DGAERO c1ccc(C[N@@H+]2CCOC[C@H](c3ccc4ccnnc4c3)C2)cc1 ZINC000616662597 400195938 /nfs/dbraw/zinc/19/59/38/400195938.db2.gz JIGYGGJVRZESIA-LJQANCHMSA-N 1 0 319.408 3.246 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccc3cnccc3c2)Cc2ccccc21 ZINC000616672559 400199284 /nfs/dbraw/zinc/19/92/84/400199284.db2.gz QQRMJYQGKPQOPI-IBGZPJMESA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cccc2cnccc21 ZINC000616683282 400203164 /nfs/dbraw/zinc/20/31/64/400203164.db2.gz QVHGQLKZBOCDSV-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO COC1([C@H](C)[NH2+]CCCO[C@H](C)c2ccccc2)CCOCC1 ZINC000453088681 292145742 /nfs/dbraw/zinc/14/57/42/292145742.db2.gz OLRICYFYWKBJQD-SJORKVTESA-N 1 0 321.461 3.328 10 0 DGAERO COc1cc(C[NH2+]C2CC(C)(C)C2)cc(Br)c1O ZINC000395190238 400281554 /nfs/dbraw/zinc/28/15/54/400281554.db2.gz WZCMQGFPDZOTHC-UHFFFAOYSA-N 1 0 314.223 3.442 10 0 DGAERO CC(C)[NH2+][C@H]1CCCN(Cc2csc(Br)c2)C1 ZINC000397392778 400285408 /nfs/dbraw/zinc/28/54/08/400285408.db2.gz KGFPHTHNXLCROA-LBPRGKRZSA-N 1 0 317.296 3.473 10 0 DGAERO C[C@@H](NCc1ccns1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000404431142 400295229 /nfs/dbraw/zinc/29/52/29/400295229.db2.gz MQUBMPBCBTVNRM-ZBFHGGJFSA-N 1 0 301.459 3.143 10 0 DGAERO C[C@@H](NCc1ccns1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000404431139 400295922 /nfs/dbraw/zinc/29/59/22/400295922.db2.gz MQUBMPBCBTVNRM-GDBMZVCRSA-N 1 0 301.459 3.143 10 0 DGAERO CC(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409423971 400301143 /nfs/dbraw/zinc/30/11/43/400301143.db2.gz WLFCDRDGDKHTRR-HOTGVXAUSA-N 1 0 304.434 3.390 10 0 DGAERO COC1([C@H](C)[NH2+]CC(C)(C)c2ccccc2F)CCOCC1 ZINC000453098085 292145204 /nfs/dbraw/zinc/14/52/04/292145204.db2.gz ZBRPHFRFGKXOFH-AWEZNQCLSA-N 1 0 309.425 3.277 10 0 DGAERO Cc1ccc([C@@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)c(Cl)c1 ZINC000409422268 400301462 /nfs/dbraw/zinc/30/14/62/400301462.db2.gz DJHKNMZVOYKEGM-GXTWGEPZSA-N 1 0 310.825 3.229 10 0 DGAERO COc1ccc2c(c1)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1[C@H](C)[C@@H](C)C(=O)C3 ZINC000034347842 400385850 /nfs/dbraw/zinc/38/58/50/400385850.db2.gz MOONCMLYIMOYKM-MSVUAZDBSA-N 1 0 313.441 3.054 10 0 DGAERO Cc1cccc2c1CCN2C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106912437 400332969 /nfs/dbraw/zinc/33/29/69/400332969.db2.gz KMKYOXUKPSWFFR-IBGZPJMESA-N 1 0 308.425 3.057 10 0 DGAERO Cc1cccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107830986 400337827 /nfs/dbraw/zinc/33/78/27/400337827.db2.gz KAIMUQXAMFBPML-SFHVURJKSA-N 1 0 315.461 3.155 10 0 DGAERO CC[NH+](CC)CCNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000069729980 400341852 /nfs/dbraw/zinc/34/18/52/400341852.db2.gz FOIADOOROUKYKS-UHFFFAOYSA-N 1 0 304.365 3.157 10 0 DGAERO CCCO[C@@H]1CCC[N@H+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000108391559 400343068 /nfs/dbraw/zinc/34/30/68/400343068.db2.gz JSIJIRDWHQZIBD-CQSZACIVSA-N 1 0 305.378 3.111 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cccnc1C)c1ccccc1 ZINC000611080263 400344275 /nfs/dbraw/zinc/34/42/75/400344275.db2.gz UEQLBQKIEMVDIZ-KRWDZBQOSA-N 1 0 312.413 3.420 10 0 DGAERO CCC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000590042904 400349403 /nfs/dbraw/zinc/34/94/03/400349403.db2.gz CUUXYQVPZSIGCW-MSOLQXFVSA-N 1 0 302.462 3.388 10 0 DGAERO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CCCC1 ZINC000070306771 400353477 /nfs/dbraw/zinc/35/34/77/400353477.db2.gz GVEBGDIBYUWWHN-JTQLQIEISA-N 1 0 305.809 3.245 10 0 DGAERO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(O)cc1C1CCCC1 ZINC000111452708 400364664 /nfs/dbraw/zinc/36/46/64/400364664.db2.gz PYXBIIXXYVBVLU-OAHLLOKOSA-N 1 0 307.434 3.178 10 0 DGAERO CSCCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000071541661 400369304 /nfs/dbraw/zinc/36/93/04/400369304.db2.gz OXENSFVPRQMOCT-INIZCTEOSA-N 1 0 306.475 3.083 10 0 DGAERO C[C@@H]1CCC[N@@H+]1CCCOc1ccc(N2CCCC2=O)cc1 ZINC000117073830 400414612 /nfs/dbraw/zinc/41/46/12/400414612.db2.gz YNFRMPUGCGAHSJ-OAHLLOKOSA-N 1 0 302.418 3.067 10 0 DGAERO CC(C)[NH2+]C[C@H](O)COc1ccccc1OCc1ccccc1 ZINC000039423587 400397749 /nfs/dbraw/zinc/39/77/49/400397749.db2.gz ZHAJDRQTIROYLI-KRWDZBQOSA-N 1 0 315.413 3.003 10 0 DGAERO CCCC[C@H](CC)C[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@H]23 ZINC000039287539 400397766 /nfs/dbraw/zinc/39/77/66/400397766.db2.gz PPBZFSFNWRZFET-FCEWJHQRSA-N 1 0 314.473 3.446 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000040850829 400402172 /nfs/dbraw/zinc/40/21/72/400402172.db2.gz GXYJYMYBNMPEIX-UHFFFAOYSA-N 1 0 318.751 3.397 10 0 DGAERO CC[C@@H](C)[C@H](C(=O)N1CCN(C2CC2)CC1)c1ccccc1 ZINC000116737580 400412273 /nfs/dbraw/zinc/41/22/73/400412273.db2.gz SOVJBXBRKALOPG-QAPCUYQASA-N 1 0 300.446 3.123 10 0 DGAERO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccc(Cl)cc1 ZINC000117720427 400420742 /nfs/dbraw/zinc/42/07/42/400420742.db2.gz KGPOKGIHPOHHOL-MRXNPFEDSA-N 1 0 316.788 3.253 10 0 DGAERO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1ccc(Cl)nc1 ZINC000117728084 400421028 /nfs/dbraw/zinc/42/10/28/400421028.db2.gz VJXDMPFZIUROQE-LBPRGKRZSA-N 1 0 301.777 3.064 10 0 DGAERO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000073619584 400460126 /nfs/dbraw/zinc/46/01/26/400460126.db2.gz LHDDLDBHLYANAZ-HZPDHXFCSA-N 1 0 320.477 3.392 10 0 DGAERO CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1F ZINC000120663539 400446554 /nfs/dbraw/zinc/44/65/54/400446554.db2.gz QZWSCHXFQNHZHX-UHFFFAOYSA-N 1 0 300.377 3.329 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4sccc4s3)C[C@H]21 ZINC000125755648 400485205 /nfs/dbraw/zinc/48/52/05/400485205.db2.gz GPICWAIDOQCOPX-GMTAPVOTSA-N 1 0 306.456 3.162 10 0 DGAERO Cc1cc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)c(C)[nH]1 ZINC000591153299 400493644 /nfs/dbraw/zinc/49/36/44/400493644.db2.gz CTJMFOIHIWYRHY-UHFFFAOYSA-N 1 0 305.466 3.216 10 0 DGAERO CCOC(=O)c1ncc(C[N@H+](C)CCc2cccs2)s1 ZINC000602781095 400571448 /nfs/dbraw/zinc/57/14/48/400571448.db2.gz HHGFJERODVBKTF-UHFFFAOYSA-N 1 0 310.444 3.056 10 0 DGAERO CCc1ccc([C@@H](CNC(=O)CCCSC)[NH+](C)C)cc1 ZINC000134521233 400578148 /nfs/dbraw/zinc/57/81/48/400578148.db2.gz GNMQELWRZPRUFJ-MRXNPFEDSA-N 1 0 308.491 3.111 10 0 DGAERO CC[NH2+][C@@H]1CCCc2sc(I)cc21 ZINC000132225573 400557566 /nfs/dbraw/zinc/55/75/66/400557566.db2.gz GYAWFVFTHFLPCK-MRVPVSSYSA-N 1 0 307.200 3.340 10 0 DGAERO C[NH2+][C@H](c1ncc(Br)cc1Br)C1CC1 ZINC000140721427 400621533 /nfs/dbraw/zinc/62/15/33/400621533.db2.gz IYYHQZHUALGPBC-VIFPVBQESA-N 1 0 320.028 3.277 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000076051787 400629707 /nfs/dbraw/zinc/62/97/07/400629707.db2.gz SDDPFPODMFIKFI-RRFJBIMHSA-N 1 0 321.490 3.229 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000075510627 400589981 /nfs/dbraw/zinc/58/99/81/400589981.db2.gz MHVNTFNECCYASJ-KXBFYZLASA-N 1 0 308.425 3.457 10 0 DGAERO c1c([C@H]2CCC[NH2+]C2)nnn1CCCSCc1ccccc1 ZINC000603219231 400657829 /nfs/dbraw/zinc/65/78/29/400657829.db2.gz SJSXXODWFIYXOA-INIZCTEOSA-N 1 0 316.474 3.069 10 0 DGAERO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000148827115 400657995 /nfs/dbraw/zinc/65/79/95/400657995.db2.gz POJQCEIJSJPWMX-APWZRJJASA-N 1 0 316.445 3.423 10 0 DGAERO CCc1cc(Br)ccc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000148215385 400654306 /nfs/dbraw/zinc/65/43/06/400654306.db2.gz YEOAQGGWFXIUHQ-AWEZNQCLSA-N 1 0 311.223 3.092 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000077001403 400685035 /nfs/dbraw/zinc/68/50/35/400685035.db2.gz KEHGOPJPIIZKPH-MSOLQXFVSA-N 1 0 302.462 3.370 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000077001402 400685195 /nfs/dbraw/zinc/68/51/95/400685195.db2.gz KEHGOPJPIIZKPH-ROUUACIJSA-N 1 0 302.462 3.370 10 0 DGAERO CC[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)CCN1CCOC ZINC000157953954 400721598 /nfs/dbraw/zinc/72/15/98/400721598.db2.gz AIMJGVDMDYSXGS-GOSISDBHSA-N 1 0 324.896 3.315 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(Cl)s2)C1 ZINC000052526446 400736863 /nfs/dbraw/zinc/73/68/63/400736863.db2.gz VHLJYXSZMYKXMA-QWRGUYRKSA-N 1 0 315.870 3.246 10 0 DGAERO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C)n1 ZINC000052590971 400739402 /nfs/dbraw/zinc/73/94/02/400739402.db2.gz GBYOOHGZQLPOKF-UHFFFAOYSA-N 1 0 323.440 3.224 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(CO)o1)c1cccc(Br)c1 ZINC000077897801 400753488 /nfs/dbraw/zinc/75/34/88/400753488.db2.gz WKNHTJNIEZPRLL-JTQLQIEISA-N 1 0 310.191 3.385 10 0 DGAERO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000054292176 400816581 /nfs/dbraw/zinc/81/65/81/400816581.db2.gz NPROSSDOASPIMF-LLVKDONJSA-N 1 0 300.324 3.342 10 0 DGAERO CC(C)(C[NH3+])Oc1ccc(Br)cc1Br ZINC000168062938 400756364 /nfs/dbraw/zinc/75/63/64/400756364.db2.gz OZLSOOHOJVZCMW-UHFFFAOYSA-N 1 0 323.028 3.328 10 0 DGAERO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000169681588 400758913 /nfs/dbraw/zinc/75/89/13/400758913.db2.gz NSRNREZDFVWBEJ-DOTOQJQBSA-N 1 0 309.450 3.082 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1ccccc1Cl ZINC000054308076 400818030 /nfs/dbraw/zinc/81/80/30/400818030.db2.gz CWWFDVHZWPZJJM-XJKSGUPXSA-N 1 0 306.837 3.393 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C1 ZINC000170862036 400777827 /nfs/dbraw/zinc/77/78/27/400777827.db2.gz SNMWHDONQGWQQH-GOSISDBHSA-N 1 0 324.424 3.042 10 0 DGAERO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170865434 400777901 /nfs/dbraw/zinc/77/79/01/400777901.db2.gz KYWVBGTWRJZQJB-NVXWUHKLSA-N 1 0 318.461 3.048 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2CCc2ccccc2)C1 ZINC000170856178 400778154 /nfs/dbraw/zinc/77/81/54/400778154.db2.gz KEKWHNYJWBKERR-LJQANCHMSA-N 1 0 322.452 3.248 10 0 DGAERO Cn1cc(-c2nc(C[NH+]3CCc4ccccc4CC3)cs2)cn1 ZINC000604759272 400800118 /nfs/dbraw/zinc/80/01/18/400800118.db2.gz DRCHYUAVGINSST-UHFFFAOYSA-N 1 0 324.453 3.144 10 0 DGAERO Cc1ccc(C[N@H+](C)CCC(=O)NCc2ccccc2Cl)o1 ZINC000054425539 400824668 /nfs/dbraw/zinc/82/46/68/400824668.db2.gz SEJQSJLFIRYSJA-UHFFFAOYSA-N 1 0 320.820 3.380 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCC[N@H+](C)Cc2ccccc2)o1 ZINC000054762329 400837699 /nfs/dbraw/zinc/83/76/99/400837699.db2.gz GYMUSCBLGIQKDM-HNNXBMFYSA-N 1 0 315.417 3.080 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1 ZINC000619432253 400847286 /nfs/dbraw/zinc/84/72/86/400847286.db2.gz YMYDTQCDAPIHGC-MRXNPFEDSA-N 1 0 317.429 3.110 10 0 DGAERO C[C@@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000080352903 400943595 /nfs/dbraw/zinc/94/35/95/400943595.db2.gz LOQBADOUKLOODM-OAHLLOKOSA-N 1 0 324.424 3.391 10 0 DGAERO CCC(CC)[C@@H](CNC(=O)NCCCC1CC1)[NH+]1CCCC1 ZINC000605953174 400889562 /nfs/dbraw/zinc/88/95/62/400889562.db2.gz YFZVKHVSEBQVDJ-QGZVFWFLSA-N 1 0 309.498 3.376 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCC2CC2)C1 ZINC000605983789 400891258 /nfs/dbraw/zinc/89/12/58/400891258.db2.gz FWIBXQANLHJBDK-SJLPKXTDSA-N 1 0 321.509 3.473 10 0 DGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC/C=C/c2ccccc2)C1 ZINC000606358605 400902541 /nfs/dbraw/zinc/90/25/41/400902541.db2.gz TZXMXISSJWMRHJ-OPUMOTSWSA-N 1 0 300.446 3.327 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000606712871 400953123 /nfs/dbraw/zinc/95/31/23/400953123.db2.gz YVFVJGKXGUISGA-SJLPKXTDSA-N 1 0 317.477 3.271 10 0 DGAERO Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000056347450 400922277 /nfs/dbraw/zinc/92/22/77/400922277.db2.gz PXDPJKAYYRSQMX-SFHVURJKSA-N 1 0 311.429 3.289 10 0 DGAERO CCC[C@@H]1CC(=O)C[C@]23CC[NH2+][C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000080171024 400929519 /nfs/dbraw/zinc/92/95/19/400929519.db2.gz TXUNSXBKEUTJBI-PPRPKMEESA-N 1 0 313.441 3.246 10 0 DGAERO O[C@H](C[NH2+]CC1CC=CC1)COc1c(Cl)cccc1Cl ZINC000629607206 400991770 /nfs/dbraw/zinc/99/17/70/400991770.db2.gz OXBFEVKULJKLSZ-GFCCVEGCSA-N 1 0 316.228 3.289 10 0 DGAERO c1nc2ccccn2c1C[NH2+]CCc1ccc2ccccc2n1 ZINC000620947449 401019494 /nfs/dbraw/zinc/01/94/94/401019494.db2.gz SBVFQWLBDHPJON-UHFFFAOYSA-N 1 0 302.381 3.215 10 0 DGAERO Brc1cncc(Br)c1C1CC[NH2+]CC1 ZINC000237969385 400996855 /nfs/dbraw/zinc/99/68/55/400996855.db2.gz SZFUPEHVOACJIZ-UHFFFAOYSA-N 1 0 320.028 3.074 10 0 DGAERO CCCC(=O)N[C@@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000080984442 401013338 /nfs/dbraw/zinc/01/33/38/401013338.db2.gz PTSAQKSBAZSNKC-CQSZACIVSA-N 1 0 315.392 3.259 10 0 DGAERO CCc1ccsc1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000227720627 400962852 /nfs/dbraw/zinc/96/28/52/400962852.db2.gz UQCPEIPIBRDDBO-HNNXBMFYSA-N 1 0 300.427 3.009 10 0 DGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)s1 ZINC000227720560 400963941 /nfs/dbraw/zinc/96/39/41/400963941.db2.gz NVIZTFQLBVOSKR-GFCCVEGCSA-N 1 0 306.818 3.100 10 0 DGAERO Clc1cc([C@H]2CCC[NH2+]2)ccc1I ZINC000228754129 400964985 /nfs/dbraw/zinc/96/49/85/400964985.db2.gz LENJEYXHPZKWRA-SNVBAGLBSA-N 1 0 307.562 3.369 10 0 DGAERO Cc1cccc(C[NH2+]C(C)(C)C)c1I ZINC000235777131 400975574 /nfs/dbraw/zinc/97/55/74/400975574.db2.gz DUYOVBNWOJLNPU-UHFFFAOYSA-N 1 0 303.187 3.488 10 0 DGAERO OCCCN(Cc1ccc(Br)c(F)c1F)C1CC1 ZINC000625177014 401050173 /nfs/dbraw/zinc/05/01/73/401050173.db2.gz ZSVGWNKXSWCATH-UHFFFAOYSA-N 1 0 320.177 3.074 10 0 DGAERO Cc1ccc(CCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000247404026 401053230 /nfs/dbraw/zinc/05/32/30/401053230.db2.gz MUUOJQZKMBCIRD-FUHWJXTLSA-N 1 0 302.462 3.177 10 0 DGAERO c1cc(-c2ccc(N3CCCC3)nc2)cc([C@@H]2COCC[NH2+]2)c1 ZINC000629709781 401054200 /nfs/dbraw/zinc/05/42/00/401054200.db2.gz KTOIEDKWVGRMET-SFHVURJKSA-N 1 0 309.413 3.010 10 0 DGAERO c1ccc(SC[C@H]2CC[N@@H+](CCOC3CCOCC3)C2)cc1 ZINC000625192772 401055279 /nfs/dbraw/zinc/05/52/79/401055279.db2.gz LLYVIAJVGNIKNW-INIZCTEOSA-N 1 0 321.486 3.296 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000247465142 401055744 /nfs/dbraw/zinc/05/57/44/401055744.db2.gz RKQRCTDMPXVJFQ-WMZOPIPTSA-N 1 0 302.462 3.116 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cccc(C)c2)[C@@H](C)C1 ZINC000247561047 401057301 /nfs/dbraw/zinc/05/73/01/401057301.db2.gz ZPJOTACOMPJCLJ-FUHWJXTLSA-N 1 0 302.462 3.116 10 0 DGAERO CC(C)CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000248049267 401065008 /nfs/dbraw/zinc/06/50/08/401065008.db2.gz NPTQEGKDAXAQBW-MSOLQXFVSA-N 1 0 315.461 3.262 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000358218885 286000478 /nfs/dbraw/zinc/00/04/78/286000478.db2.gz CCTMRELEIYUWQH-QGZVFWFLSA-N 1 0 304.409 3.281 10 0 DGAERO c1n[nH]cc1C[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000607168115 401028264 /nfs/dbraw/zinc/02/82/64/401028264.db2.gz GWLBTSITRCUTOC-IBGZPJMESA-N 1 0 307.397 3.457 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc(Cl)c1 ZINC000246434346 401029076 /nfs/dbraw/zinc/02/90/76/401029076.db2.gz NDDIFLKVJDUSLE-BBRMVZONSA-N 1 0 321.852 3.281 10 0 DGAERO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000246707496 401035711 /nfs/dbraw/zinc/03/57/11/401035711.db2.gz GQNFRPILCGBAHT-XJKSGUPXSA-N 1 0 313.869 3.379 10 0 DGAERO C[NH+](C)[C@H](CNCc1nc2ccccc2o1)Cc1ccccc1 ZINC000607204384 401036209 /nfs/dbraw/zinc/03/62/09/401036209.db2.gz KLOMJAXGUMJNFN-INIZCTEOSA-N 1 0 309.413 3.090 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000247062825 401044340 /nfs/dbraw/zinc/04/43/40/401044340.db2.gz XVIUEMGKGISHIH-ZWKOTPCHSA-N 1 0 319.445 3.284 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@H+](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000257354563 401109935 /nfs/dbraw/zinc/10/99/35/401109935.db2.gz YMQGKWCHLAQCPE-UONOGXRCSA-N 1 0 307.438 3.407 10 0 DGAERO C[C@@H]1CN(C[C@H](O)C[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000261401874 401111467 /nfs/dbraw/zinc/11/14/67/401111467.db2.gz SGGLCUIVKXUSOF-SJLPKXTDSA-N 1 0 310.441 3.103 10 0 DGAERO Cc1c2ccccc2oc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262462167 401117891 /nfs/dbraw/zinc/11/78/91/401117891.db2.gz KLMPTEDZZXFMDT-IMJJTQAJSA-N 1 0 312.413 3.278 10 0 DGAERO CCS[C@@H]1CCCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262472805 401118351 /nfs/dbraw/zinc/11/83/51/401118351.db2.gz OPZCQDMBACGCIC-JJXSEGSLSA-N 1 0 310.507 3.041 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000358225524 286003315 /nfs/dbraw/zinc/00/33/15/286003315.db2.gz LAGFRGQRTSXGOK-SFHVURJKSA-N 1 0 324.472 3.234 10 0 DGAERO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000059581102 401094048 /nfs/dbraw/zinc/09/40/48/401094048.db2.gz IBJVGRQUNXINSR-GOSISDBHSA-N 1 0 310.397 3.187 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000252961763 401096898 /nfs/dbraw/zinc/09/68/98/401096898.db2.gz OONQPIZIGKYHAR-YPMHNXCESA-N 1 0 317.260 3.365 10 0 DGAERO COc1cc(C)c([C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000358240006 286007924 /nfs/dbraw/zinc/00/79/24/286007924.db2.gz QBEAOFHJUVMFJR-MRXNPFEDSA-N 1 0 318.461 3.315 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000358241526 286008407 /nfs/dbraw/zinc/00/84/07/286008407.db2.gz RTTSAOWEXRMYLG-KRWDZBQOSA-N 1 0 310.445 3.175 10 0 DGAERO c1cc(C[NH2+]CCOC2CCCC2)n(CCc2ccccc2)n1 ZINC000621331948 401169293 /nfs/dbraw/zinc/16/92/93/401169293.db2.gz VSGWPYRSBBMGJH-UHFFFAOYSA-N 1 0 313.445 3.175 10 0 DGAERO c1coc(CCC[NH2+]Cc2ccnn2CCc2ccccc2)c1 ZINC000621371452 401189146 /nfs/dbraw/zinc/18/91/46/401189146.db2.gz DKHFFMIOBOSIHI-UHFFFAOYSA-N 1 0 309.413 3.441 10 0 DGAERO O=Cc1ccc(-c2ccc(N3CC[NH+](CC4CC4)CC3)nc2)cc1 ZINC000088343402 401197786 /nfs/dbraw/zinc/19/77/86/401197786.db2.gz FCECVQWZMQTLJB-UHFFFAOYSA-N 1 0 321.424 3.093 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3[NH2+]CCN1CCC1)CCCC2 ZINC000358336118 286035254 /nfs/dbraw/zinc/03/52/54/286035254.db2.gz CMZGMCXAMTYRHI-SFHVURJKSA-N 1 0 300.446 3.074 10 0 DGAERO C=Cc1ccc(CC[NH2+]Cc2cccc(C(=O)OCC)n2)cc1 ZINC000600161551 401200825 /nfs/dbraw/zinc/20/08/25/401200825.db2.gz JRFKYBZCAUYMQT-UHFFFAOYSA-N 1 0 310.397 3.234 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000608241047 401211141 /nfs/dbraw/zinc/21/11/41/401211141.db2.gz UIRRZKOUCOWELT-GFCCVEGCSA-N 1 0 319.836 3.235 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCCSC2)n(CCc2ccccc2)n1 ZINC000621355385 401181104 /nfs/dbraw/zinc/18/11/04/401181104.db2.gz KVIWZLHGRYKTRE-QGZVFWFLSA-N 1 0 315.486 3.359 10 0 DGAERO c1cc(CNc2ccc3c([nH+]2)CCC3)n(CCc2ccccc2)n1 ZINC000621360164 401183616 /nfs/dbraw/zinc/18/36/16/401183616.db2.gz JHCKNTJYAPRHEU-UHFFFAOYSA-N 1 0 318.424 3.044 10 0 DGAERO CC(C)n1cc2cc(C(=O)NCC[NH+]3CCCC3)sc2c1 ZINC000065285468 401263706 /nfs/dbraw/zinc/26/37/06/401263706.db2.gz GEGLGVNDNIDUFT-UHFFFAOYSA-N 1 0 305.447 3.109 10 0 DGAERO C(C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1)OC1CCC1 ZINC000625998297 401276075 /nfs/dbraw/zinc/27/60/75/401276075.db2.gz DYLWNLWVIQEFPW-UHFFFAOYSA-N 1 0 319.449 3.161 10 0 DGAERO Cc1cc(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c(C)[nH]1 ZINC000600331720 401237572 /nfs/dbraw/zinc/23/75/72/401237572.db2.gz KNUJBXUYGHSRNO-UHFFFAOYSA-N 1 0 313.445 3.402 10 0 DGAERO C[C@@H](O)[C@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000089931742 401244570 /nfs/dbraw/zinc/24/45/70/401244570.db2.gz ZDNIONZFWKTYHN-NEPJUHHUSA-N 1 0 318.244 3.465 10 0 DGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(C)[nH]c2C)C1 ZINC000600429257 401248004 /nfs/dbraw/zinc/24/80/04/401248004.db2.gz UHVQRFLKTJBDMP-HNNXBMFYSA-N 1 0 305.466 3.262 10 0 DGAERO c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000358387276 286047970 /nfs/dbraw/zinc/04/79/70/286047970.db2.gz RTXTXHQAUDLTPQ-LJQANCHMSA-N 1 0 323.444 3.027 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c2ccccc21 ZINC000621764808 401297612 /nfs/dbraw/zinc/29/76/12/401297612.db2.gz MORDSGKOAJONRC-UXLLHSPISA-N 1 0 316.445 3.420 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000634952054 401387293 /nfs/dbraw/zinc/38/72/93/401387293.db2.gz NVTXXRQMVFBZJT-LSDHHAIUSA-N 1 0 315.866 3.348 10 0 DGAERO O=S1(=O)CCC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000634957735 401388648 /nfs/dbraw/zinc/38/86/48/401388648.db2.gz WLANBSGVZSITDY-JTQLQIEISA-N 1 0 322.257 3.050 10 0 DGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634976100 401393570 /nfs/dbraw/zinc/39/35/70/401393570.db2.gz NPTJTNWDLGFXAI-PMPSAXMXSA-N 1 0 301.496 3.148 10 0 DGAERO Brc1ccc([C@H]2CCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634992606 401397346 /nfs/dbraw/zinc/39/73/46/401397346.db2.gz VLULJPWMMJLTKC-DSSZZKGTSA-N 1 0 321.262 3.338 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3cncs3)[C@H]21 ZINC000631190750 401420603 /nfs/dbraw/zinc/42/06/03/401420603.db2.gz CPTATYYDMJLEHE-YUTCNCBUSA-N 1 0 321.243 3.334 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]Cc3cc[nH]c3)[C@H]21 ZINC000631193224 401422021 /nfs/dbraw/zinc/42/20/21/401422021.db2.gz NPHVUZPXHDFAED-NWANDNLSSA-N 1 0 303.203 3.205 10 0 DGAERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(Br)s1 ZINC000631215942 401428614 /nfs/dbraw/zinc/42/86/14/401428614.db2.gz IDXKCDWMKXKPNB-NKWVEPMBSA-N 1 0 314.195 3.177 10 0 DGAERO O[C@H](CC[NH2+]Cc1cccc(OCc2ccccc2)c1)C(F)F ZINC000631220283 401429617 /nfs/dbraw/zinc/42/96/17/401429617.db2.gz VUUBRZNMYPWBIB-QGZVFWFLSA-N 1 0 321.367 3.371 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000631254028 401438337 /nfs/dbraw/zinc/43/83/37/401438337.db2.gz JJABWCAGHFIWDB-HRCADAONSA-N 1 0 322.474 3.432 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)o2)n[nH]1 ZINC000631256611 401439022 /nfs/dbraw/zinc/43/90/22/401439022.db2.gz VWRAUSSVZUECHU-DLBZAZTESA-N 1 0 301.390 3.107 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000358432319 286061393 /nfs/dbraw/zinc/06/13/93/286061393.db2.gz GOOTUJCVOJIPCT-UHFFFAOYSA-N 1 0 317.433 3.247 10 0 DGAERO O=C(Nc1cc(Cl)ccc1Cl)N1CCC12CC[NH2+]CC2 ZINC000623055981 401459409 /nfs/dbraw/zinc/45/94/09/401459409.db2.gz JZVGERRTTTVZJD-UHFFFAOYSA-N 1 0 314.216 3.353 10 0 DGAERO CSc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000358421228 286056863 /nfs/dbraw/zinc/05/68/63/286056863.db2.gz DFKAVRBHXGYDIJ-UHFFFAOYSA-N 1 0 305.447 3.182 10 0 DGAERO O[C@H](CC[NH2+][C@H]1CCSc2ccc(Cl)cc21)C(F)F ZINC000631695632 401538631 /nfs/dbraw/zinc/53/86/31/401538631.db2.gz BHEFJZJSFWWUEM-WDEREUQCSA-N 1 0 307.793 3.483 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000631701554 401539485 /nfs/dbraw/zinc/53/94/85/401539485.db2.gz JGMPAOVSXIMGPZ-OJLVUWQFSA-N 1 0 322.246 3.246 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1C ZINC000631887009 401564199 /nfs/dbraw/zinc/56/41/99/401564199.db2.gz NTMCRDOUCRKNLP-MJGOQNOKSA-N 1 0 314.473 3.388 10 0 DGAERO COc1c(Cl)cccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358466586 286069809 /nfs/dbraw/zinc/06/98/09/286069809.db2.gz XWCIOAHZOKMNIX-UHFFFAOYSA-N 1 0 323.824 3.122 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(Br)c1 ZINC000623754916 401576766 /nfs/dbraw/zinc/57/67/66/401576766.db2.gz VKLQJFDPGQTIAL-UKRRQHHQSA-N 1 0 310.235 3.415 10 0 DGAERO Cc1ccc(CS(=O)(=O)C/C=C\c2ccccc2)c(C)n1 ZINC000358472764 286071518 /nfs/dbraw/zinc/07/15/18/286071518.db2.gz CINKBFGMUWXKCT-TWGQIWQCSA-N 1 0 301.411 3.327 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000623822631 401583451 /nfs/dbraw/zinc/58/34/51/401583451.db2.gz SVHDVGRPHZOCQA-WVSHTKLVSA-N 1 0 302.187 3.103 10 0 DGAERO c1cc(C[NH2+]C2CCC3(CCCO3)CC2)c2c(c1)COCC2 ZINC000631729103 401545911 /nfs/dbraw/zinc/54/59/11/401545911.db2.gz GYISMRKCRNBUSH-UHFFFAOYSA-N 1 0 301.430 3.341 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000631731695 401546323 /nfs/dbraw/zinc/54/63/23/401546323.db2.gz AVKSYSGZBUIKFQ-INIZCTEOSA-N 1 0 318.420 3.498 10 0 DGAERO c1[nH]nc2cccc(C[NH2+]C[C@@H]3C[C@H](c4ccccc4)CO3)c12 ZINC000623569535 401548055 /nfs/dbraw/zinc/54/80/55/401548055.db2.gz KOCZWZNUOIYDNA-IRXDYDNUSA-N 1 0 307.397 3.225 10 0 DGAERO O=C(c1cc(Cl)sc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632875747 401633969 /nfs/dbraw/zinc/63/39/69/401633969.db2.gz NIBMWWRTOPSERY-PSASIEDQSA-N 1 0 319.257 3.269 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000624235975 401642353 /nfs/dbraw/zinc/64/23/53/401642353.db2.gz UEEGGGBFOQRAHM-MELADBBJSA-N 1 0 304.217 3.184 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000628545190 401614860 /nfs/dbraw/zinc/61/48/60/401614860.db2.gz CINOEFHJBCGSNV-MAUKXSAKSA-N 1 0 322.493 3.295 10 0 DGAERO C([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C(C1CCC1)C1CCC1 ZINC000624038294 401616585 /nfs/dbraw/zinc/61/65/85/401616585.db2.gz ANGKLSMQROCSRX-IBGZPJMESA-N 1 0 320.521 3.436 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@H](C)C[NH+](C)C)o1 ZINC000358517686 286082523 /nfs/dbraw/zinc/08/25/23/286082523.db2.gz CTDCHWQZWBRKCH-GUTXKFCHSA-N 1 0 307.438 3.021 10 0 DGAERO OCC[C@@H]1CSCC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000358619305 286109624 /nfs/dbraw/zinc/10/96/24/286109624.db2.gz SBBQUEASADBBLW-CYBMUJFWSA-N 1 0 322.861 3.188 10 0 DGAERO CN(CCC[NH+]1CCCC1)c1nc(-c2cccc(Cl)c2)no1 ZINC000358670155 286120193 /nfs/dbraw/zinc/12/01/93/286120193.db2.gz VHYDCWJJCCRWSL-UHFFFAOYSA-N 1 0 320.824 3.312 10 0 DGAERO c1[nH]c(CNC2CC([NH+]3CCCCC3)C2)nc1-c1ccccc1 ZINC000358738413 286137743 /nfs/dbraw/zinc/13/77/43/286137743.db2.gz AINDQAYUWZMUQS-UHFFFAOYSA-N 1 0 310.445 3.183 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000358758770 286145556 /nfs/dbraw/zinc/14/55/56/286145556.db2.gz YTOOAJZBLOKRKQ-BEFAXECRSA-N 1 0 322.456 3.076 10 0 DGAERO C[C@H](CSc1nnc(-c2ccc(Cl)s2)o1)[NH+](C)C ZINC000358785719 286153583 /nfs/dbraw/zinc/15/35/83/286153583.db2.gz NDEFVGZSBSRMAA-SSDOTTSWSA-N 1 0 303.840 3.494 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000358785371 286153753 /nfs/dbraw/zinc/15/37/53/286153753.db2.gz ZYNGEOWNVXISKS-KGLIPLIRSA-N 1 0 302.409 3.193 10 0 DGAERO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC2(CC2)c2ccccc21 ZINC000358876724 286175741 /nfs/dbraw/zinc/17/57/41/286175741.db2.gz LWZHAOLPSFNOAK-GOSISDBHSA-N 1 0 310.441 3.472 10 0 DGAERO C[C@H](CSc1nnc(C2CC2)n1-c1ccccc1)[NH+](C)C ZINC000358861157 286171569 /nfs/dbraw/zinc/17/15/69/286171569.db2.gz MTFZUQGHRJIZIQ-GFCCVEGCSA-N 1 0 302.447 3.187 10 0 DGAERO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCOCc1ccc(Cl)cc1 ZINC000358959294 286198527 /nfs/dbraw/zinc/19/85/27/286198527.db2.gz AGVZJSBLSHDFHW-MRXNPFEDSA-N 1 0 319.836 3.257 10 0 DGAERO Cn1ccc([C@@H]([NH2+]CC(C)(C)CCCO)c2ccc(F)cc2)n1 ZINC000359232391 286265852 /nfs/dbraw/zinc/26/58/52/286265852.db2.gz JGDBZSJILGVARO-KRWDZBQOSA-N 1 0 319.424 3.037 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CCCC3)C2)C12CCOCC2 ZINC000249006938 286293319 /nfs/dbraw/zinc/29/33/19/286293319.db2.gz OAYWJQBSPUTZFB-GVDBMIGSSA-N 1 0 323.477 3.042 10 0 DGAERO CCO[C@@H]1C[C@H](N(C)C(=O)CCCCCC[NH3+])C12CCCC2 ZINC000236857379 286316070 /nfs/dbraw/zinc/31/60/70/286316070.db2.gz FGQKNXLPVNOSTK-JKSUJKDBSA-N 1 0 310.482 3.092 10 0 DGAERO CC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1ccsc1C)c1ccco1 ZINC000359535864 286329740 /nfs/dbraw/zinc/32/97/40/286329740.db2.gz DAHWDHVNCIKIRA-WFASDCNBSA-N 1 0 320.458 3.438 10 0 DGAERO c1ccc(CN2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)nc1 ZINC000359608752 286346159 /nfs/dbraw/zinc/34/61/59/286346159.db2.gz JBIBSQKLJRUHAC-SFHVURJKSA-N 1 0 321.468 3.004 10 0 DGAERO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ncc(Br)s2)CCO1 ZINC000359945266 286394255 /nfs/dbraw/zinc/39/42/55/286394255.db2.gz DLZIWJDAQAVGRF-UWVGGRQHSA-N 1 0 319.268 3.199 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C12CCOCC2 ZINC000186423548 286398986 /nfs/dbraw/zinc/39/89/86/286398986.db2.gz OAYWJQBSPUTZFB-IXDOHACOSA-N 1 0 323.477 3.042 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCC(=O)N1CCCCC1)CCCO2 ZINC000178200651 292352406 /nfs/dbraw/zinc/35/24/06/292352406.db2.gz RNSWBQPXCWPKAM-KRWDZBQOSA-N 1 0 316.445 3.201 10 0 DGAERO C=Cc1ccc(CC[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000361147512 286609744 /nfs/dbraw/zinc/60/97/44/286609744.db2.gz SVAJDOPPKMVFSF-UHFFFAOYSA-N 1 0 304.397 3.243 10 0 DGAERO CCC[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000361447449 286674110 /nfs/dbraw/zinc/67/41/10/286674110.db2.gz KYIAYRRKMLBEAX-RHSMWYFYSA-N 1 0 304.434 3.139 10 0 DGAERO COC1(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)CCCCC1 ZINC000361494514 286680646 /nfs/dbraw/zinc/68/06/46/286680646.db2.gz ZHTOSRKVCHBYBZ-UHFFFAOYSA-N 1 0 322.493 3.060 10 0 DGAERO Cc1ccc2nc(C)c(C(=O)N3CC[C@H](C)C[C@H]3C[NH3+])cc2c1 ZINC000261659447 292389430 /nfs/dbraw/zinc/38/94/30/292389430.db2.gz BYUYGWSGEJPGCJ-BBRMVZONSA-N 1 0 311.429 3.051 10 0 DGAERO CC[NH+](CC)CCNC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000361647094 286706740 /nfs/dbraw/zinc/70/67/40/286706740.db2.gz XPHRLZHQOSZECQ-UHFFFAOYSA-N 1 0 316.367 3.096 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCc2cccc(OC)n2)c(F)c1 ZINC000361923581 286745363 /nfs/dbraw/zinc/74/53/63/286745363.db2.gz DRLSKTZSWWTGPM-LBPRGKRZSA-N 1 0 304.365 3.131 10 0 DGAERO CCc1nc2c(s1)[C@H]([NH2+]CCc1cccc(OC)n1)CCC2 ZINC000361928216 286746013 /nfs/dbraw/zinc/74/60/13/286746013.db2.gz VMEXSULHPJRGRM-CYBMUJFWSA-N 1 0 317.458 3.319 10 0 DGAERO C[C@@H](C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1C[NH2+]C1 ZINC000262199220 286764391 /nfs/dbraw/zinc/76/43/91/286764391.db2.gz MWVDEEPGTJNXHK-FOIQADDNSA-N 1 0 320.436 3.016 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000363931611 286972531 /nfs/dbraw/zinc/97/25/31/286972531.db2.gz OKVNFAVGVDIVOB-KSZLIROESA-N 1 0 313.445 3.424 10 0 DGAERO c1ccc(NCCCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)nc1 ZINC000364385822 287020667 /nfs/dbraw/zinc/02/06/67/287020667.db2.gz LWZWXQYTNRAPHO-OKZBNKHCSA-N 1 0 317.477 3.459 10 0 DGAERO c1ccc(NCCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)nc1 ZINC000364385821 287020754 /nfs/dbraw/zinc/02/07/54/287020754.db2.gz LWZWXQYTNRAPHO-KZNAEPCWSA-N 1 0 317.477 3.459 10 0 DGAERO c1c(CC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)nc2ccccn12 ZINC000364660431 287050080 /nfs/dbraw/zinc/05/00/80/287050080.db2.gz SCEBCDKGVCKDQQ-CGTJXYLNSA-N 1 0 313.445 3.062 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000364850336 287067481 /nfs/dbraw/zinc/06/74/81/287067481.db2.gz UWBUFMFDBNQLQH-XLIONFOSSA-N 1 0 324.472 3.490 10 0 DGAERO O=C(Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171317003 164624566 /nfs/dbraw/zinc/62/45/66/164624566.db2.gz TWUAAGYBLSTNFR-IBGZPJMESA-N 1 0 314.473 3.344 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1F)C1CCCC1 ZINC000172168487 164653372 /nfs/dbraw/zinc/65/33/72/164653372.db2.gz HCVAMNRQQYENDJ-NEPJUHHUSA-N 1 0 321.396 3.031 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(Cl)cc1 ZINC000174197984 164720050 /nfs/dbraw/zinc/72/00/50/164720050.db2.gz SUHQVRKPOHRCJM-XJKSGUPXSA-N 1 0 318.852 3.393 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1 ZINC000174198599 164721290 /nfs/dbraw/zinc/72/12/90/164721290.db2.gz WJCRHWXTBMJWHA-BBRMVZONSA-N 1 0 318.852 3.393 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N1CCC2(C1)CCCCC2 ZINC000175513393 164759492 /nfs/dbraw/zinc/75/94/92/164759492.db2.gz LLZVHUPXOVBFGR-UHFFFAOYSA-N 1 0 307.482 3.228 10 0 DGAERO CC(C)[NH2+]C1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000177671730 164812308 /nfs/dbraw/zinc/81/23/08/164812308.db2.gz LBPJZYZKEJXCAQ-UHFFFAOYSA-N 1 0 317.408 3.443 10 0 DGAERO C[NH2+]C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000179143114 164852685 /nfs/dbraw/zinc/85/26/85/164852685.db2.gz JGANNKIHNBMOHN-UHFFFAOYSA-N 1 0 320.864 3.362 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(CC)nn3C2)s1 ZINC000180626179 164890686 /nfs/dbraw/zinc/89/06/86/164890686.db2.gz DTNZMACOUXJXJL-VXGBXAGGSA-N 1 0 304.463 3.130 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C)cn3)CC2)C1(C)C ZINC000181804769 164920596 /nfs/dbraw/zinc/92/05/96/164920596.db2.gz LUBPCUYHLAPMTD-IAGOWNOFSA-N 1 0 317.477 3.152 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1CSC ZINC000184780797 164986191 /nfs/dbraw/zinc/98/61/91/164986191.db2.gz PCQUKUWUJSWBCN-ZDUSSCGKSA-N 1 0 309.479 3.401 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185084742 164992468 /nfs/dbraw/zinc/99/24/68/164992468.db2.gz ZBHWXDKTMCVTEU-HNNXBMFYSA-N 1 0 310.482 3.010 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)[C@H]1COc2ccccc21 ZINC000185588647 165009107 /nfs/dbraw/zinc/00/91/07/165009107.db2.gz BNPVHYBIYLLTFQ-MJEQTWJJSA-N 1 0 301.361 3.013 10 0 DGAERO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@H]1COc2ccccc21 ZINC000185610678 165010300 /nfs/dbraw/zinc/01/03/00/165010300.db2.gz MASCIWSDEYABDU-UKRRQHHQSA-N 1 0 305.418 3.263 10 0 DGAERO O=C(NCc1ccc(C(F)F)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000185687266 165013118 /nfs/dbraw/zinc/01/31/18/165013118.db2.gz YLRJZHSWIVADBW-OAHLLOKOSA-N 1 0 323.387 3.004 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000185798451 165016676 /nfs/dbraw/zinc/01/66/76/165016676.db2.gz FPQRFZJUINGCKK-FOIPXRHGSA-N 1 0 306.494 3.438 10 0 DGAERO CCc1onc(C)c1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000186223435 165034107 /nfs/dbraw/zinc/03/41/07/165034107.db2.gz PPWSHRVKSGKINI-CQSZACIVSA-N 1 0 309.454 3.032 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nc(C(C)C)cs2)C12CCOCC2 ZINC000186390459 165041650 /nfs/dbraw/zinc/04/16/50/165041650.db2.gz TUEDJQXXFHRXGY-LSDHHAIUSA-N 1 0 324.490 3.330 10 0 DGAERO O=C(c1csc2ccccc12)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186499512 165047436 /nfs/dbraw/zinc/04/74/36/165047436.db2.gz VZOAJXMSSPTBFO-LBPRGKRZSA-N 1 0 300.427 3.258 10 0 DGAERO O=C(/C=C/c1ccc(Cl)s1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186509179 165047453 /nfs/dbraw/zinc/04/74/53/165047453.db2.gz LFWNYQCLPNUVPQ-IOCXFXADSA-N 1 0 310.850 3.158 10 0 DGAERO O=C(c1cccc(Cl)c1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186507054 165047525 /nfs/dbraw/zinc/04/75/25/165047525.db2.gz GLLCRHVVQANWOB-SNVBAGLBSA-N 1 0 313.228 3.350 10 0 DGAERO CCSCc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000186524494 165048520 /nfs/dbraw/zinc/04/85/20/165048520.db2.gz TYVRJHBOHHXLHT-MRXNPFEDSA-N 1 0 318.486 3.296 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186547521 165048802 /nfs/dbraw/zinc/04/88/02/165048802.db2.gz GJEAAUGAQQGUEQ-USXIJHARSA-N 1 0 318.848 3.187 10 0 DGAERO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)nc2C)C1 ZINC000186763037 165059062 /nfs/dbraw/zinc/05/90/62/165059062.db2.gz NKSAGQWKFFBBJS-CRAIPNDOSA-N 1 0 317.477 3.215 10 0 DGAERO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000186897457 165065066 /nfs/dbraw/zinc/06/50/66/165065066.db2.gz UQZLYYHVGORHGG-KBXCAEBGSA-N 1 0 317.477 3.215 10 0 DGAERO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000186897498 165065370 /nfs/dbraw/zinc/06/53/70/165065370.db2.gz UQZLYYHVGORHGG-KSSFIOAISA-N 1 0 317.477 3.215 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc2c1OCC2 ZINC000365053482 287091661 /nfs/dbraw/zinc/09/16/61/287091661.db2.gz KIFNPCCNHOBFHT-GUDVDZBRSA-N 1 0 315.457 3.349 10 0 DGAERO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccc(C)nc1C)c1ccccc1 ZINC000187281965 165082421 /nfs/dbraw/zinc/08/24/21/165082421.db2.gz ANKFPFVHACUFRA-KDOFPFPSSA-N 1 0 312.413 3.338 10 0 DGAERO CC(C)[C@@](C)(O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000187393934 165089318 /nfs/dbraw/zinc/08/93/18/165089318.db2.gz RVIRQQGCGAKEDA-SFHVURJKSA-N 1 0 309.425 3.214 10 0 DGAERO Cc1cc2cc(CN3CCO[C@@]4(CCOC4)C3)oc2cc1C ZINC000187536701 165093873 /nfs/dbraw/zinc/09/38/73/165093873.db2.gz VIUGSZWKDYVPSD-SFHVURJKSA-N 1 0 301.386 3.041 10 0 DGAERO Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(C)n1 ZINC000187554737 165095434 /nfs/dbraw/zinc/09/54/34/165095434.db2.gz QYGGFBQGILRLHN-MRXNPFEDSA-N 1 0 304.434 3.252 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3ccccc3F)o2)C1 ZINC000188029286 165108327 /nfs/dbraw/zinc/10/83/27/165108327.db2.gz DTQBCXJRVLEORZ-UGSOOPFHSA-N 1 0 318.392 3.464 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc2ccccc2c1 ZINC000188691301 165132246 /nfs/dbraw/zinc/13/22/46/165132246.db2.gz YLELXWPTMLSGGV-UHFFFAOYSA-N 1 0 302.377 3.373 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1csc2ccccc12 ZINC000188732557 165134552 /nfs/dbraw/zinc/13/45/52/165134552.db2.gz PAGFTZGRRXETIF-UHFFFAOYSA-N 1 0 308.406 3.435 10 0 DGAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cn2ccnc2s1 ZINC000188757936 165136023 /nfs/dbraw/zinc/13/60/23/165136023.db2.gz WNNDFMMYVOWMSK-UHFFFAOYSA-N 1 0 314.414 3.018 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1C(F)(F)F ZINC000188737428 165136463 /nfs/dbraw/zinc/13/64/63/165136463.db2.gz QKLKLIDANWIVAL-UHFFFAOYSA-N 1 0 320.314 3.239 10 0 DGAERO O=C(CC1CCCC1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188963670 165142643 /nfs/dbraw/zinc/14/26/43/165142643.db2.gz BZRGWNSAGWCWBG-WMLDXEAASA-N 1 0 322.399 3.107 10 0 DGAERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)N1CCc2ccccc2C1 ZINC000189033705 165146334 /nfs/dbraw/zinc/14/63/34/165146334.db2.gz JTNAVKQXXCDDCH-GOSISDBHSA-N 1 0 324.424 3.392 10 0 DGAERO CN(C)c1noc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000189536917 165164965 /nfs/dbraw/zinc/16/49/65/165164965.db2.gz RBQSDDPHBJJKIN-UHFFFAOYSA-N 1 0 320.824 3.169 10 0 DGAERO Cc1nc([C@@H]2CCCN2CC(=O)NCC2CCCCC2)cs1 ZINC000189772756 165175820 /nfs/dbraw/zinc/17/58/20/165175820.db2.gz MTDAYQXKDVVZOC-INIZCTEOSA-N 1 0 321.490 3.285 10 0 DGAERO CC[C@](C)(O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189814961 165178436 /nfs/dbraw/zinc/17/84/36/165178436.db2.gz WZKFVRZBYXUAHN-SFHVURJKSA-N 1 0 302.418 3.477 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc2ccn(C)c21 ZINC000190028728 165186344 /nfs/dbraw/zinc/18/63/44/165186344.db2.gz ZGBAEQSJJNPGOP-CYBMUJFWSA-N 1 0 302.422 3.030 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000190166092 165191608 /nfs/dbraw/zinc/19/16/08/165191608.db2.gz CUHMEDDKNZYTKC-AEFFLSMTSA-N 1 0 324.509 3.162 10 0 DGAERO Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)CC3CC(O)C3)o2)cc1C ZINC000190186334 165191636 /nfs/dbraw/zinc/19/16/36/165191636.db2.gz ZRTAYKIKKWPPHR-VQCLRJIVSA-N 1 0 315.417 3.117 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1oc(CC(C)C)nc1C ZINC000190169785 165191767 /nfs/dbraw/zinc/19/17/67/165191767.db2.gz HQUWMDHLNIQDOT-AWEZNQCLSA-N 1 0 323.481 3.422 10 0 DGAERO COc1ccnc(C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)c1OC ZINC000190593528 165207622 /nfs/dbraw/zinc/20/76/22/165207622.db2.gz SEASOPWQTRWYNY-OAHLLOKOSA-N 1 0 314.429 3.470 10 0 DGAERO COc1ccnc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1OC ZINC000190560927 165207960 /nfs/dbraw/zinc/20/79/60/165207960.db2.gz CEQCVPMJPVOTQQ-GOSISDBHSA-N 1 0 302.418 3.421 10 0 DGAERO CCc1nnc(C2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)[nH]1 ZINC000190647007 165211407 /nfs/dbraw/zinc/21/14/07/165211407.db2.gz LPXBATWGVYJSDH-GFCCVEGCSA-N 1 0 302.397 3.447 10 0 DGAERO CCc1nnc(C2CC[NH+](CCc3ccc(F)c(F)c3)CC2)[nH]1 ZINC000190696303 165213729 /nfs/dbraw/zinc/21/37/29/165213729.db2.gz YTADGPJCEXVOBG-UHFFFAOYSA-N 1 0 320.387 3.067 10 0 DGAERO CCc1nnc(C2CC[NH+](CCCc3cccc(C)c3)CC2)[nH]1 ZINC000190690867 165213927 /nfs/dbraw/zinc/21/39/27/165213927.db2.gz LSCHWZWMJULFCI-UHFFFAOYSA-N 1 0 312.461 3.488 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1csc(Cl)c1 ZINC000191175807 165233645 /nfs/dbraw/zinc/23/36/45/165233645.db2.gz NLVBAQKZOFRPKS-SNVBAGLBSA-N 1 0 319.821 3.228 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000191342371 165244527 /nfs/dbraw/zinc/24/45/27/165244527.db2.gz AIPPDRYBPXRVQA-SJORKVTESA-N 1 0 305.466 3.115 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191321440 165244820 /nfs/dbraw/zinc/24/48/20/165244820.db2.gz DMPZWGZQXXLHGU-HXUWFJFHSA-N 1 0 322.452 3.353 10 0 DGAERO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191626617 165263028 /nfs/dbraw/zinc/26/30/28/165263028.db2.gz BHCDGUOWILRBKJ-UHFFFAOYSA-N 1 0 315.461 3.047 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)[nH]1 ZINC000191691585 165264186 /nfs/dbraw/zinc/26/41/86/165264186.db2.gz YJUVFUIMGBKOCC-UHFFFAOYSA-N 1 0 304.825 3.400 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(-n2ccnc2)cc1C ZINC000192053135 165280134 /nfs/dbraw/zinc/28/01/34/165280134.db2.gz QWQIANUMFWXWNY-IBGZPJMESA-N 1 0 312.461 3.097 10 0 DGAERO c1ccc(CSCCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000192545956 165296390 /nfs/dbraw/zinc/29/63/90/165296390.db2.gz MRWKGUPZNXPDKO-UHFFFAOYSA-N 1 0 304.503 3.480 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000192708815 165304781 /nfs/dbraw/zinc/30/47/81/165304781.db2.gz XIRXCNCABGDLED-XAVZPLJISA-N 1 0 321.424 3.270 10 0 DGAERO CC(C)[NH2+]CCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000193475681 165326716 /nfs/dbraw/zinc/32/67/16/165326716.db2.gz QBULJVMKLVAORA-LLVKDONJSA-N 1 0 321.412 3.339 10 0 DGAERO O[C@@H](Cc1ccccc1)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000193523615 165327243 /nfs/dbraw/zinc/32/72/43/165327243.db2.gz GOTOFLFCAUATBE-SFHVURJKSA-N 1 0 311.425 3.133 10 0 DGAERO O=C(c1cccc2[nH]ccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193945287 165335647 /nfs/dbraw/zinc/33/56/47/165335647.db2.gz IKAAHWSBGWHTOX-UHFFFAOYSA-N 1 0 311.429 3.116 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)CC2 ZINC000194397310 165345145 /nfs/dbraw/zinc/34/51/45/165345145.db2.gz MCNBWLSAYVYPTB-RDJZCZTQSA-N 1 0 312.461 3.500 10 0 DGAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+]CC[C@H](C)c1ccccc1 ZINC000194503957 165348113 /nfs/dbraw/zinc/34/81/13/165348113.db2.gz PSKMUEIFWGYCCT-HOCLYGCPSA-N 1 0 314.433 3.043 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000194895307 165357949 /nfs/dbraw/zinc/35/79/49/165357949.db2.gz FRZJOAVURNWPTH-BRWVUGGUSA-N 1 0 318.848 3.140 10 0 DGAERO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000194895296 165358208 /nfs/dbraw/zinc/35/82/08/165358208.db2.gz FRZJOAVURNWPTH-IXDOHACOSA-N 1 0 318.848 3.140 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)n1 ZINC000195324432 165365975 /nfs/dbraw/zinc/36/59/75/165365975.db2.gz BOMOKMAXSUUKMI-IAGOWNOFSA-N 1 0 316.470 3.235 10 0 DGAERO O[C@@H](C[N@@H+]1CCC[C@H](c2nccs2)C1)c1ccc(F)cc1F ZINC000195340234 165367870 /nfs/dbraw/zinc/36/78/70/165367870.db2.gz OZEKHNUJYIPBOC-NHYWBVRUSA-N 1 0 324.396 3.334 10 0 DGAERO CCc1csc([C@H]2CCCN(CC(=O)NC(C)(C)CC)C2)n1 ZINC000195380376 165368910 /nfs/dbraw/zinc/36/89/10/165368910.db2.gz KKOGYADHNJIXTN-ZDUSSCGKSA-N 1 0 323.506 3.190 10 0 DGAERO Cc1csc([C@@H]2CN(CCOc3cccc(C)c3)CCO2)n1 ZINC000195393137 165369428 /nfs/dbraw/zinc/36/94/28/165369428.db2.gz ZTULPAHAAXSDMC-INIZCTEOSA-N 1 0 318.442 3.212 10 0 DGAERO Fc1ccc(OCCC[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195505690 165372458 /nfs/dbraw/zinc/37/24/58/165372458.db2.gz ILPDHLKAZSWEKB-UHFFFAOYSA-N 1 0 303.381 3.197 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000195520318 165374785 /nfs/dbraw/zinc/37/47/85/165374785.db2.gz RHTYSNRFSDTXPD-WMZOPIPTSA-N 1 0 312.461 3.499 10 0 DGAERO CCC1(C[NH2+]Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000226785252 165385208 /nfs/dbraw/zinc/38/52/08/165385208.db2.gz XVASXOPZNASUMY-UHFFFAOYSA-N 1 0 314.223 3.443 10 0 DGAERO CC(C)[NH2+]CCN(C)Cc1ccc(Br)c(F)c1 ZINC000228264913 165388624 /nfs/dbraw/zinc/38/86/24/165388624.db2.gz FPHMZADPJSHMBD-UHFFFAOYSA-N 1 0 303.219 3.018 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1ccccc1 ZINC000247017608 165557539 /nfs/dbraw/zinc/55/75/39/165557539.db2.gz SGRAMTWTBPGMPW-MSOLQXFVSA-N 1 0 300.446 3.095 10 0 DGAERO Cc1cccc(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000247538270 165588280 /nfs/dbraw/zinc/58/82/80/165588280.db2.gz XVLKRCPKQILEJH-DOTOQJQBSA-N 1 0 318.461 3.013 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)[C@H]1COc2ccccc21 ZINC000248553745 165631806 /nfs/dbraw/zinc/63/18/06/165631806.db2.gz APVCVEXLDUFXQF-UXEPBGEESA-N 1 0 319.351 3.153 10 0 DGAERO C[C@](O)(CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000249783961 165683712 /nfs/dbraw/zinc/68/37/12/165683712.db2.gz DFXRURDNZPDTPX-FAJBIJEISA-N 1 0 303.446 3.077 10 0 DGAERO Clc1cccc(Cl)c1OCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261667131 165731214 /nfs/dbraw/zinc/73/12/14/165731214.db2.gz FOLBGOTXDWDXAD-BXUZGUMPSA-N 1 0 315.244 3.056 10 0 DGAERO Fc1cccc(Cl)c1CCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261759420 165746111 /nfs/dbraw/zinc/74/61/11/165746111.db2.gz NWMCWUATBYTHME-KRWDZBQOSA-N 1 0 319.811 3.063 10 0 DGAERO Fc1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261971937 165772423 /nfs/dbraw/zinc/77/24/23/165772423.db2.gz QLPIPKLLAQINFE-INIZCTEOSA-N 1 0 305.784 3.021 10 0 DGAERO C[C@H](CSc1ccc(F)cc1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261980990 165775061 /nfs/dbraw/zinc/77/50/61/165775061.db2.gz MCPSQWCJQSLGHK-DOMZBBRYSA-N 1 0 324.465 3.140 10 0 DGAERO FC(F)(F)c1ncc(CN2CCC([NH2+]CC3CC3)CC2)s1 ZINC000262014774 165777307 /nfs/dbraw/zinc/77/73/07/165777307.db2.gz VKVDNVZWIXYSCW-UHFFFAOYSA-N 1 0 319.396 3.126 10 0 DGAERO Cc1cc(O[C@H](C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)ccc1Cl ZINC000262086693 165785192 /nfs/dbraw/zinc/78/51/92/165785192.db2.gz UEKBLTCGJMBRJF-DOMZBBRYSA-N 1 0 324.852 3.002 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000262122045 165787694 /nfs/dbraw/zinc/78/76/94/165787694.db2.gz MGZKAXXMSRAVJG-DCAQKATOSA-N 1 0 319.396 3.030 10 0 DGAERO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172806650 287141456 /nfs/dbraw/zinc/14/14/56/287141456.db2.gz AIMZDTNNOHIVCI-JXFKEZNVSA-N 1 0 310.441 3.307 10 0 DGAERO c1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)n(-c2ccccc2)n1 ZINC000365671457 287160899 /nfs/dbraw/zinc/16/08/99/287160899.db2.gz DULCKPWRLHMKIQ-KRWDZBQOSA-N 1 0 311.429 3.121 10 0 DGAERO Cc1ccc2nc(C[NH2+][C@@H]3CCCC[C@@H]3n3cccn3)cn2c1 ZINC000128917762 196003505 /nfs/dbraw/zinc/00/35/05/196003505.db2.gz MVQUDXWZUDGYQI-SJORKVTESA-N 1 0 309.417 3.113 10 0 DGAERO CCc1cc(NC(=O)N2CC[NH+](CC3CC3)CC2)ccc1C ZINC000181971713 432152101 /nfs/dbraw/zinc/15/21/01/432152101.db2.gz SINHHXHOJIHPOU-UHFFFAOYSA-N 1 0 301.434 3.117 10 0 DGAERO O=C(N[C@@H](c1ccccc1)C1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171602382 432150670 /nfs/dbraw/zinc/15/06/70/432150670.db2.gz KYTKKONJVIVMKZ-MSOLQXFVSA-N 1 0 313.445 3.017 10 0 DGAERO CCn1c(C)nnc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000246728285 432159502 /nfs/dbraw/zinc/15/95/02/432159502.db2.gz JCQOKLPZVHXVQZ-DOMZBBRYSA-N 1 0 302.397 3.124 10 0 DGAERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000246746429 432161019 /nfs/dbraw/zinc/16/10/19/432161019.db2.gz YZQJBVGCMZMRSW-DVOMOZLQSA-N 1 0 323.868 3.383 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](C3CCCCC3)CC2)o1 ZINC000136413923 432154188 /nfs/dbraw/zinc/15/41/88/432154188.db2.gz GUKGQQMJSNVSBP-HNNXBMFYSA-N 1 0 319.449 3.309 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)c1 ZINC000171635816 432155050 /nfs/dbraw/zinc/15/50/50/432155050.db2.gz NVDGZGIIQNRIJF-MRXNPFEDSA-N 1 0 321.428 3.280 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]CCn1cccn1 ZINC000190421919 432155679 /nfs/dbraw/zinc/15/56/79/432155679.db2.gz OQAPJVGFXHPHPD-NSHDSACASA-N 1 0 324.222 3.005 10 0 DGAERO CCOc1cc(C[N@H+](C)C[C@@H](C)OC)ccc1OC(F)F ZINC000182053474 432155913 /nfs/dbraw/zinc/15/59/13/432155913.db2.gz XCRHHZQMCHDYFT-LLVKDONJSA-N 1 0 303.349 3.153 10 0 DGAERO C[C@@H](C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O)Cc1ccccc1 ZINC000182079129 432156338 /nfs/dbraw/zinc/15/63/38/432156338.db2.gz VLXAJUBXHXQJKM-VQIMIIECSA-N 1 0 323.440 3.045 10 0 DGAERO Cc1cccc(OCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000171646873 432156319 /nfs/dbraw/zinc/15/63/19/432156319.db2.gz UTUOJMIBPPRQLT-QGZVFWFLSA-N 1 0 311.429 3.203 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(C(C)(C)C)s1 ZINC000182075767 432157031 /nfs/dbraw/zinc/15/70/31/432157031.db2.gz LNGQGSRLFMNGLL-ZIAGYGMSSA-N 1 0 307.507 3.499 10 0 DGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000190437571 432157707 /nfs/dbraw/zinc/15/77/07/432157707.db2.gz PVRDGRKAJGTDBN-KRWDZBQOSA-N 1 0 324.428 3.067 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000182248088 432172328 /nfs/dbraw/zinc/17/23/28/432172328.db2.gz NGSUTUOUJHKEHO-QXAKKESOSA-N 1 0 314.473 3.259 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[S@@](C)=O ZINC000129524266 196055463 /nfs/dbraw/zinc/05/54/63/196055463.db2.gz VORSNKNIOMBCBK-GTJPDFRWSA-N 1 0 309.406 3.332 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC000246766107 432163438 /nfs/dbraw/zinc/16/34/38/432163438.db2.gz LMISUXBUVBTBJM-CPUCHLNUSA-N 1 0 306.425 3.118 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C(C)(C)C[NH+](C)C ZINC000246790127 432165102 /nfs/dbraw/zinc/16/51/02/432165102.db2.gz JIRHLDDHTFBZAO-FPMFFAJLSA-N 1 0 324.415 3.161 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)c2ccc(F)cc2F)C1 ZINC000246801445 432165857 /nfs/dbraw/zinc/16/58/57/432165857.db2.gz SSBZPXPXZSZBLC-GXTWGEPZSA-N 1 0 310.388 3.059 10 0 DGAERO CC(C)NC(=O)CC[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000182209958 432166235 /nfs/dbraw/zinc/16/62/35/432166235.db2.gz NNNDFPHYXIMFRB-UHFFFAOYSA-N 1 0 310.441 3.454 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246807240 432166612 /nfs/dbraw/zinc/16/66/12/432166612.db2.gz LCGACYYJSYCAFB-DZGCQCFKSA-N 1 0 305.422 3.032 10 0 DGAERO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246803349 432166725 /nfs/dbraw/zinc/16/67/25/432166725.db2.gz BCZNBTZSBSPJSY-DZGCQCFKSA-N 1 0 323.400 3.021 10 0 DGAERO COCCCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246802704 432166791 /nfs/dbraw/zinc/16/67/91/432166791.db2.gz SVFUIVRONYPDLY-CABCVRRESA-N 1 0 317.351 3.240 10 0 DGAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1Cl ZINC000246821251 432169001 /nfs/dbraw/zinc/16/90/01/432169001.db2.gz CLNSCBISSHOCQR-IHRRRGAJSA-N 1 0 321.852 3.279 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCOc3ccccc3C)[C@@H]2C1 ZINC000246834237 432170615 /nfs/dbraw/zinc/17/06/15/432170615.db2.gz QGKPYGKASTVYEH-ZHALLVOQSA-N 1 0 319.445 3.032 10 0 DGAERO CCCCCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190640171 432178903 /nfs/dbraw/zinc/17/89/03/432178903.db2.gz DGNLJELLNKWOHM-SFHVURJKSA-N 1 0 317.477 3.332 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)no1 ZINC000137589018 432179589 /nfs/dbraw/zinc/17/95/89/432179589.db2.gz LUMBIBHCRJORLT-AWEZNQCLSA-N 1 0 303.381 3.014 10 0 DGAERO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000246863096 432174517 /nfs/dbraw/zinc/17/45/17/432174517.db2.gz FCGVWLYDEUAAMV-RDJZCZTQSA-N 1 0 301.386 3.165 10 0 DGAERO O=C(Nc1ccc2c3c(cccc31)CC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171887894 432182340 /nfs/dbraw/zinc/18/23/40/432182340.db2.gz QBJBILOICJUCFQ-MRXNPFEDSA-N 1 0 321.424 3.250 10 0 DGAERO C[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1cccnc1 ZINC000190740128 432184839 /nfs/dbraw/zinc/18/48/39/432184839.db2.gz OSWPVKYSIRUOTA-CQSZACIVSA-N 1 0 315.848 3.444 10 0 DGAERO COc1cccc([C@H]2CN(C[C@H](O)C3CCCCC3)CCO2)c1 ZINC000190729477 432185293 /nfs/dbraw/zinc/18/52/93/432185293.db2.gz FIAVCJYMRAYCTP-RBUKOAKNSA-N 1 0 319.445 3.010 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000246977451 432186452 /nfs/dbraw/zinc/18/64/52/432186452.db2.gz QYAPNRBHTHBECT-RYQLBKOJSA-N 1 0 306.494 3.393 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000246970975 432187177 /nfs/dbraw/zinc/18/71/77/432187177.db2.gz JEAXBQVORTXHTD-CABCVRRESA-N 1 0 306.450 3.147 10 0 DGAERO C[C@@H]1C[N@H+](CC(=O)Nc2ccncc2)CC[C@H]1c1ccccc1 ZINC000246987364 432188501 /nfs/dbraw/zinc/18/85/01/432188501.db2.gz SOIIYHJIZPFAQE-CRAIPNDOSA-N 1 0 309.413 3.146 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)NCc1ccccc1COC ZINC000150740660 432188866 /nfs/dbraw/zinc/18/88/66/432188866.db2.gz XTADOOVXZJTGJN-SFHVURJKSA-N 1 0 318.461 3.104 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(CC(C)C)n1 ZINC000246982807 432189192 /nfs/dbraw/zinc/18/91/92/432189192.db2.gz OOPPOJKUJXZNNI-KBPBESRZSA-N 1 0 321.490 3.040 10 0 DGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000150770992 432190938 /nfs/dbraw/zinc/19/09/38/432190938.db2.gz JRPXOPAIVUBPFU-DOMZBBRYSA-N 1 0 302.418 3.482 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(-n2cccc2)c1 ZINC000247016875 432191228 /nfs/dbraw/zinc/19/12/28/432191228.db2.gz SAQBWDCMRFSHEH-HKUYNNGSSA-N 1 0 323.440 3.176 10 0 DGAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(Cl)cc1 ZINC000247016209 432191587 /nfs/dbraw/zinc/19/15/87/432191587.db2.gz FXQKKVYMDKGUOG-XEZPLFJOSA-N 1 0 321.852 3.279 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cccc(C)c1 ZINC000246935397 432182764 /nfs/dbraw/zinc/18/27/64/432182764.db2.gz KESQNKMTJGYIFN-ROUUACIJSA-N 1 0 300.446 3.013 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000129749208 196073269 /nfs/dbraw/zinc/07/32/69/196073269.db2.gz XUXTYHWQTPUBEM-LJISPDSOSA-N 1 0 306.475 3.005 10 0 DGAERO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000172122947 432198813 /nfs/dbraw/zinc/19/88/13/432198813.db2.gz QVZCKZKBHYFDBV-HKUYNNGSSA-N 1 0 314.473 3.342 10 0 DGAERO CCN(Cc1cccs1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247057798 432198862 /nfs/dbraw/zinc/19/88/62/432198862.db2.gz IMWHYJBXBZPEIO-HIFRSBDPSA-N 1 0 309.479 3.008 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@H](C)CCc2ccccc2F)C1 ZINC000247055974 432198962 /nfs/dbraw/zinc/19/89/62/432198962.db2.gz IKONWYDMTGIEBC-RVKKMQEKSA-N 1 0 320.452 3.239 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(C(C)(C)C)CC2)C1 ZINC000172150865 432199724 /nfs/dbraw/zinc/19/97/24/432199724.db2.gz LJQFDSUFQYWFFZ-OAHLLOKOSA-N 1 0 309.498 3.186 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1C[C@H]1C ZINC000247025441 432192851 /nfs/dbraw/zinc/19/28/51/432192851.db2.gz NEKHIZHSGVQBLE-GIPNMCIBSA-N 1 0 316.323 3.300 10 0 DGAERO O=C(c1ccco1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247018217 432192961 /nfs/dbraw/zinc/19/29/61/432192961.db2.gz MQJZZEUBMRTWII-ZWKOTPCHSA-N 1 0 324.424 3.406 10 0 DGAERO CC(C)(C)C1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000172032913 432193346 /nfs/dbraw/zinc/19/33/46/432193346.db2.gz PGDBPYHJEMVDAU-UHFFFAOYSA-N 1 0 313.445 3.224 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000247030932 432194262 /nfs/dbraw/zinc/19/42/62/432194262.db2.gz MIKOGFLSIMVQRI-IAGOWNOFSA-N 1 0 319.836 3.043 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000247033347 432194529 /nfs/dbraw/zinc/19/45/29/432194529.db2.gz NREBNEKLXBIUEE-GJZGRUSLSA-N 1 0 305.422 3.001 10 0 DGAERO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)cc1 ZINC000130596503 196094361 /nfs/dbraw/zinc/09/43/61/196094361.db2.gz YJHIQILZAVRUAC-KSSFIOAISA-N 1 0 315.413 3.478 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000247125125 432203658 /nfs/dbraw/zinc/20/36/58/432203658.db2.gz UZGPLASIQHTVBD-KVSKMBFKSA-N 1 0 318.461 3.143 10 0 DGAERO CCCc1noc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)n1 ZINC000247152043 432206853 /nfs/dbraw/zinc/20/68/53/432206853.db2.gz RXQCHXSJZQVXPQ-HIFRSBDPSA-N 1 0 315.417 3.409 10 0 DGAERO O[C@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)Cc1ccccc1 ZINC000190967077 432206912 /nfs/dbraw/zinc/20/69/12/432206912.db2.gz WFZCDWDKXYXBOY-IBGZPJMESA-N 1 0 311.425 3.169 10 0 DGAERO CN(C(=O)C[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000247163271 432207464 /nfs/dbraw/zinc/20/74/64/432207464.db2.gz AMWQHRAVRVOJAQ-IAGOWNOFSA-N 1 0 300.446 3.049 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000247233691 432212499 /nfs/dbraw/zinc/21/24/99/432212499.db2.gz MTBKNPQVZPDOOY-GUYCJALGSA-N 1 0 315.392 3.149 10 0 DGAERO Brc1cccc2c1C[N@H+](CCc1cccnc1)CC2 ZINC000172405158 432212985 /nfs/dbraw/zinc/21/29/85/432212985.db2.gz YFDNZVSARHDYRO-UHFFFAOYSA-N 1 0 317.230 3.445 10 0 DGAERO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000247221179 432213641 /nfs/dbraw/zinc/21/36/41/432213641.db2.gz CUQQGRCLUXDXNU-JFIYKMOQSA-N 1 0 322.493 3.200 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000247233677 432213854 /nfs/dbraw/zinc/21/38/54/432213854.db2.gz MTBKNPQVZPDOOY-DYVFJYSZSA-N 1 0 315.392 3.149 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(F)cc1Cl ZINC000247114819 432204341 /nfs/dbraw/zinc/20/43/41/432204341.db2.gz ZMVGXHQCMAAEFC-CABCVRRESA-N 1 0 324.827 3.107 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccccc1OCC(F)(F)F ZINC000191146336 432227109 /nfs/dbraw/zinc/22/71/09/432227109.db2.gz GEXKLJKADAACRC-VXGBXAGGSA-N 1 0 317.351 3.361 10 0 DGAERO Cc1ccc(SCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247263109 432216961 /nfs/dbraw/zinc/21/69/61/432216961.db2.gz FDNGBRROWGXZOV-GJZGRUSLSA-N 1 0 306.475 3.028 10 0 DGAERO CC(C)Cc1ncc(C[NH2+][C@H](CO)Cc2ccccc2)s1 ZINC000131512312 196176169 /nfs/dbraw/zinc/17/61/69/196176169.db2.gz YUVCVPYAYYEILQ-HNNXBMFYSA-N 1 0 304.459 3.035 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000191067339 432217111 /nfs/dbraw/zinc/21/71/11/432217111.db2.gz KJTAGQZKPFMKMX-FUHWJXTLSA-N 1 0 314.477 3.370 10 0 DGAERO CC(C)[C@H](C)CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000172505595 432217279 /nfs/dbraw/zinc/21/72/79/432217279.db2.gz TWSBOACPHDJUCL-MSOLQXFVSA-N 1 0 323.525 3.432 10 0 DGAERO C[C@H](C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000247255690 432217235 /nfs/dbraw/zinc/21/72/35/432217235.db2.gz YCJFIQAOCFUXIX-AEFFLSMTSA-N 1 0 310.445 3.181 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(C(C)C)n2C)C1(CC)CC ZINC000191071364 432217310 /nfs/dbraw/zinc/21/73/10/432217310.db2.gz PCVAGHYQDAGPKU-ZIAGYGMSSA-N 1 0 308.470 3.012 10 0 DGAERO C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247267900 432217435 /nfs/dbraw/zinc/21/74/35/432217435.db2.gz FJCFJQWMPLMVJW-IHRRRGAJSA-N 1 0 324.852 3.048 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCC3)[C@@H](C)C1 ZINC000247275038 432218635 /nfs/dbraw/zinc/21/86/35/432218635.db2.gz FQNOIVPDWFLVNM-JSGCOSHPSA-N 1 0 306.475 3.039 10 0 DGAERO CS[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000172537803 432219266 /nfs/dbraw/zinc/21/92/66/432219266.db2.gz NRJOZUQDYSWASI-KRWDZBQOSA-N 1 0 318.486 3.178 10 0 DGAERO C[C@H](c1nc(C(C)(C)C)no1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172580730 432221768 /nfs/dbraw/zinc/22/17/68/432221768.db2.gz NYHMQSVNFOUBEG-CQSZACIVSA-N 1 0 320.481 3.378 10 0 DGAERO O=C(C[C@H]1CSCC[NH2+]1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000131759361 196196655 /nfs/dbraw/zinc/19/66/55/196196655.db2.gz YRNWAAQZRCJBLJ-HOCLYGCPSA-N 1 0 324.877 3.002 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132717740 196278020 /nfs/dbraw/zinc/27/80/20/196278020.db2.gz UZVVVHRNRHBSRD-ZIAGYGMSSA-N 1 0 323.868 3.001 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000132731664 196278897 /nfs/dbraw/zinc/27/88/97/196278897.db2.gz SVXWKSDVUDTWPG-HUUCEWRRSA-N 1 0 314.395 3.434 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000132891668 196293788 /nfs/dbraw/zinc/29/37/88/196293788.db2.gz JTXMLTBFBWXBLY-QWHCGFSZSA-N 1 0 312.404 3.305 10 0 DGAERO C[C@H](CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000133210836 196321528 /nfs/dbraw/zinc/32/15/28/196321528.db2.gz FFRIJYYRCVCESA-SOLBZPMBSA-N 1 0 300.446 3.265 10 0 DGAERO C[C@H](C[NH2+]CC1(C(=O)N(C)C)CCCC1)Cc1ccccc1 ZINC000134080568 196360303 /nfs/dbraw/zinc/36/03/03/196360303.db2.gz BOIVVVJDOXNWHJ-INIZCTEOSA-N 1 0 302.462 3.103 10 0 DGAERO C[C@@H]1CN(Cc2ccc(Cl)c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000137204101 196568547 /nfs/dbraw/zinc/56/85/47/196568547.db2.gz QMXUGNVNUSCNCC-ZJUUUORDSA-N 1 0 317.658 3.285 10 0 DGAERO C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C1CCCC1 ZINC000172182684 228274803 /nfs/dbraw/zinc/27/48/03/228274803.db2.gz GSAKUJORVGWIJW-MRXNPFEDSA-N 1 0 309.498 3.376 10 0 DGAERO C[NH+](C)CCNC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000175560346 228302589 /nfs/dbraw/zinc/30/25/89/228302589.db2.gz BXKBSUWUEAZTSS-UHFFFAOYSA-N 1 0 324.468 3.156 10 0 DGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000178189823 228337481 /nfs/dbraw/zinc/33/74/81/228337481.db2.gz ZNVKTRCHONZKFW-WMZOPIPTSA-N 1 0 310.445 3.413 10 0 DGAERO COC[C@@H]([NH2+]Cc1c(C)oc2ccccc21)C1CCOCC1 ZINC000188478206 228461417 /nfs/dbraw/zinc/46/14/17/228461417.db2.gz QSQFKTBBKUDDEG-QGZVFWFLSA-N 1 0 303.402 3.272 10 0 DGAERO CCCC[C@@H](CCC)CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000130807904 292641092 /nfs/dbraw/zinc/64/10/92/292641092.db2.gz GDMSGVMFLAMYOE-IAGOWNOFSA-N 1 0 307.482 3.249 10 0 DGAERO COC[C@@H]1CN(c2c(C)c[nH+]c3c(C)cccc32)C[C@@H](C)O1 ZINC000302564310 230297983 /nfs/dbraw/zinc/29/79/83/230297983.db2.gz OBNDCWZIVNFUEY-CABCVRRESA-N 1 0 300.402 3.092 10 0 DGAERO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000188977287 263706844 /nfs/dbraw/zinc/70/68/44/263706844.db2.gz UCXNIVDOEJQZSK-GOSISDBHSA-N 1 0 321.424 3.078 10 0 DGAERO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)CC(C)C)c1 ZINC000191951210 263769038 /nfs/dbraw/zinc/76/90/38/263769038.db2.gz RCPOSMPJCHYJAF-INIZCTEOSA-N 1 0 320.477 3.268 10 0 DGAERO COCCO[C@H]1CCCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000193559752 263796188 /nfs/dbraw/zinc/79/61/88/263796188.db2.gz LICIQEPAYAQVLG-HNNXBMFYSA-N 1 0 300.402 3.175 10 0 DGAERO CCCCOc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000193755344 263800624 /nfs/dbraw/zinc/80/06/24/263800624.db2.gz DVLGTRHOQADYQM-UHFFFAOYSA-N 1 0 319.449 3.423 10 0 DGAERO CC(C)OCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227657620 263840654 /nfs/dbraw/zinc/84/06/54/263840654.db2.gz MNUQTVGCAFCRJA-HNNXBMFYSA-N 1 0 314.470 3.038 10 0 DGAERO CC1(C)[C@H]([NH2+]CCc2cccc(Br)c2)[C@H]2CCO[C@H]21 ZINC000313705004 263892622 /nfs/dbraw/zinc/89/26/22/263892622.db2.gz CATNIIPIUVEXPA-RBSFLKMASA-N 1 0 324.262 3.395 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]CCCC1CCOCC1 ZINC000347185062 264172300 /nfs/dbraw/zinc/17/23/00/264172300.db2.gz HYSXPBTUQKFTFH-UHFFFAOYSA-N 1 0 313.445 3.228 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCOCc1ccccc1 ZINC000347498439 264230526 /nfs/dbraw/zinc/23/05/26/264230526.db2.gz UYMPEYLAJWMEOI-MOPGFXCFSA-N 1 0 302.462 3.152 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000347775978 264281820 /nfs/dbraw/zinc/28/18/20/264281820.db2.gz HJNFTNOHYHYTEK-HUUCEWRRSA-N 1 0 301.789 3.106 10 0 DGAERO c1ccc2c(c1)NCCC[C@H]2[NH2+]CCc1cnc(C2CC2)nc1 ZINC000348133772 264349468 /nfs/dbraw/zinc/34/94/68/264349468.db2.gz BUQJTGCVAADQHS-GOSISDBHSA-N 1 0 308.429 3.433 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CC1=CCCOC1 ZINC000348209004 264365688 /nfs/dbraw/zinc/36/56/88/264365688.db2.gz VVEWTRXMMUAKMS-GOSISDBHSA-N 1 0 309.413 3.186 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]Cc1cnn2ccccc12 ZINC000353021450 265269852 /nfs/dbraw/zinc/26/98/52/265269852.db2.gz SKGZFWIFSOTXSN-UHFFFAOYSA-N 1 0 321.409 3.143 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC[N@@H+]1C ZINC000247440088 432230276 /nfs/dbraw/zinc/23/02/76/432230276.db2.gz PIMHNDGIUIYXJH-UYHMYPTGSA-N 1 0 322.399 3.009 10 0 DGAERO COc1cc(-c2noc([C@@H](C)[NH+]3CCCCCC3)n2)ccn1 ZINC000191173765 432231285 /nfs/dbraw/zinc/23/12/85/432231285.db2.gz CEHYTFKGILBAJE-GFCCVEGCSA-N 1 0 302.378 3.077 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000247467390 432231736 /nfs/dbraw/zinc/23/17/36/432231736.db2.gz RJSRHWJMDRWEHF-RYRKJORJSA-N 1 0 321.509 3.329 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356235398 266326213 /nfs/dbraw/zinc/32/62/13/266326213.db2.gz STFNTPKFXDCQGL-NVXWUHKLSA-N 1 0 318.461 3.189 10 0 DGAERO CC(C)COc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247471313 432232721 /nfs/dbraw/zinc/23/27/21/432232721.db2.gz RSBJNMRTJOCYQZ-WBVHZDCISA-N 1 0 316.445 3.030 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000191191581 432232781 /nfs/dbraw/zinc/23/27/81/432232781.db2.gz OIICOEXXQZRWCP-VXGBXAGGSA-N 1 0 304.365 3.214 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2SC)[C@@H](C)C1 ZINC000247473017 432233469 /nfs/dbraw/zinc/23/34/69/432233469.db2.gz SBFNBKSLXXUJBW-ZFWWWQNUSA-N 1 0 306.475 3.211 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000247480348 432234059 /nfs/dbraw/zinc/23/40/59/432234059.db2.gz UKJCKORSRSPFQV-DLBZAZTESA-N 1 0 317.477 3.337 10 0 DGAERO Cc1c2ccccc2oc1[C@H](C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151271850 432234792 /nfs/dbraw/zinc/23/47/92/432234792.db2.gz IUWVPHGKAURIBR-JKSUJKDBSA-N 1 0 316.445 3.239 10 0 DGAERO Cc1nc(C)c(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)s1 ZINC000172769081 432234728 /nfs/dbraw/zinc/23/47/28/432234728.db2.gz QOJDPUALKNLYGK-LBPRGKRZSA-N 1 0 323.506 3.133 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2nnc(-c3ccccc3)s2)C1 ZINC000247502957 432236690 /nfs/dbraw/zinc/23/66/90/432236690.db2.gz XSFJDYWFJKMSEQ-TZMCWYRMSA-N 1 0 302.447 3.346 10 0 DGAERO CCC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000247505860 432235695 /nfs/dbraw/zinc/23/56/95/432235695.db2.gz ONIXHMFMSBNYHI-DLBZAZTESA-N 1 0 301.434 3.017 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)[C@@H](C)C1 ZINC000247492671 432235770 /nfs/dbraw/zinc/23/57/70/432235770.db2.gz ULCOIAAPIFOXQV-KBXCAEBGSA-N 1 0 313.445 3.279 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(-c2cccs2)on1 ZINC000247517517 432237480 /nfs/dbraw/zinc/23/74/80/432237480.db2.gz WKKIOUFVJSCZSN-OCCSQVGLSA-N 1 0 303.431 3.072 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2nc(C)ccc2c1 ZINC000151352624 432238904 /nfs/dbraw/zinc/23/89/04/432238904.db2.gz DUJLCVIBBIUHBK-QZTJIDSGSA-N 1 0 323.440 3.242 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000191266673 432242414 /nfs/dbraw/zinc/24/24/14/432242414.db2.gz CXGFMIZKWSNAKQ-RYUDHWBXSA-N 1 0 304.365 3.214 10 0 DGAERO CC[C@@H]1C[N@H+](CCCc2cccc(F)c2)CCN1CC(F)F ZINC000182976092 432246794 /nfs/dbraw/zinc/24/67/94/432246794.db2.gz FPVVNFNUYSWBJF-MRXNPFEDSA-N 1 0 314.395 3.420 10 0 DGAERO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247708834 432247827 /nfs/dbraw/zinc/24/78/27/432247827.db2.gz ZQKRRYUTOVKRDW-YJBOKZPZSA-N 1 0 306.425 3.073 10 0 DGAERO Brc1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000367617031 271052562 /nfs/dbraw/zinc/05/25/62/271052562.db2.gz PIROTMSSOYKKEC-ZDUSSCGKSA-N 1 0 306.207 3.339 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(F)c(Br)c1 ZINC000367687981 271064534 /nfs/dbraw/zinc/06/45/34/271064534.db2.gz LTDUUEQNGJWGBF-PDEGPIFNSA-N 1 0 314.198 3.131 10 0 DGAERO Brc1cccc(C2CC([NH2+]C[C@@H]3[C@H]4COC[C@H]43)C2)c1 ZINC000367700264 271066595 /nfs/dbraw/zinc/06/65/95/271066595.db2.gz UYFXIDVAZIENAL-WPUFCLOJSA-N 1 0 322.246 3.177 10 0 DGAERO Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368058311 271127118 /nfs/dbraw/zinc/12/71/18/271127118.db2.gz HKKCWHIQBTUOKM-PXNSSMCTSA-N 1 0 309.457 3.390 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)CC2 ZINC000368080377 271130595 /nfs/dbraw/zinc/13/05/95/271130595.db2.gz BWPMAXYHEASZBD-GFCCVEGCSA-N 1 0 302.447 3.171 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc2c1OCO2 ZINC000368466566 271162085 /nfs/dbraw/zinc/16/20/85/271162085.db2.gz QVDBHVCVPWDSME-OWCLPIDISA-N 1 0 303.402 3.100 10 0 DGAERO c1coc([C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)N2CCCCC2)c1 ZINC000368602294 271179285 /nfs/dbraw/zinc/17/92/85/271179285.db2.gz JBBMONTVXZBMMH-DOTOQJQBSA-N 1 0 314.433 3.197 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(F)cc1F ZINC000151493626 432250762 /nfs/dbraw/zinc/25/07/62/432250762.db2.gz HNPWMTXTGZLKPC-LBPRGKRZSA-N 1 0 314.339 3.396 10 0 DGAERO CC(C)c1cnc(CN2CCC(Nc3cccnn3)CC2)s1 ZINC000183054118 432253710 /nfs/dbraw/zinc/25/37/10/432253710.db2.gz PHQJVVFXNRLZBG-UHFFFAOYSA-N 1 0 317.462 3.133 10 0 DGAERO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000247949310 432254626 /nfs/dbraw/zinc/25/46/26/432254626.db2.gz DWPJWCGFBWUBBT-JXFKEZNVSA-N 1 0 309.457 3.459 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1N(C)C ZINC000247966736 432256338 /nfs/dbraw/zinc/25/63/38/432256338.db2.gz GWOQKRSIBVKYAK-WQFMGJDKSA-N 1 0 306.425 3.356 10 0 DGAERO Brc1cccc2c1C[C@H]([NH2+]CC1=CCOCC1)CC2 ZINC000449400189 273475947 /nfs/dbraw/zinc/47/59/47/273475947.db2.gz AKNPMKRNOCGQPS-CQSZACIVSA-N 1 0 322.246 3.243 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)C1 ZINC000355422473 273489847 /nfs/dbraw/zinc/48/98/47/273489847.db2.gz ODEZELDONBSGMP-YCEFEEMOSA-N 1 0 300.446 3.027 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1 ZINC000192815132 273752105 /nfs/dbraw/zinc/75/21/05/273752105.db2.gz SDWMRKFKFVACFW-MSOLQXFVSA-N 1 0 310.445 3.495 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCc2ccccc21)c1ccccc1 ZINC000048216673 273798070 /nfs/dbraw/zinc/79/80/70/273798070.db2.gz FOPJIIRHJMSPJZ-RBUKOAKNSA-N 1 0 323.440 3.276 10 0 DGAERO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183094451 432257522 /nfs/dbraw/zinc/25/75/22/432257522.db2.gz HJKOUIUSFALZGM-IUODEOHRSA-N 1 0 317.385 3.267 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246395063 274282359 /nfs/dbraw/zinc/28/23/59/274282359.db2.gz LEQGTGPYXRCLHR-OWCLPIDISA-N 1 0 302.466 3.250 10 0 DGAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000031934799 274287605 /nfs/dbraw/zinc/28/76/05/274287605.db2.gz JKFAVTDCTAUGJN-PWSUYJOCSA-N 1 0 317.458 3.142 10 0 DGAERO C[C@@H]1CC[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000247124097 274312952 /nfs/dbraw/zinc/31/29/52/274312952.db2.gz RHYMDQLUDFDRFZ-GPMSIDNRSA-N 1 0 302.462 3.061 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)c1cn[nH]c1 ZINC000222454032 274522238 /nfs/dbraw/zinc/52/22/38/274522238.db2.gz BBQTWRVZZCIKNW-ZUZCIYMTSA-N 1 0 320.234 3.380 10 0 DGAERO C[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)[C@@H](C[NH3+])C1 ZINC000262551256 274559166 /nfs/dbraw/zinc/55/91/66/274559166.db2.gz SLZVDOYQPYHODQ-GXSJLCMTSA-N 1 0 318.314 3.044 10 0 DGAERO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@H]3CCCSC3)C2=O)c(C)c1 ZINC000189453675 274684043 /nfs/dbraw/zinc/68/40/43/274684043.db2.gz OENFKNBDRQOFLN-JKSUJKDBSA-N 1 0 318.486 3.202 10 0 DGAERO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@H](C)c3ccncc3)C2=O)c(C)c1 ZINC000191081618 274684154 /nfs/dbraw/zinc/68/41/54/274684154.db2.gz NWLBFOJDHRCHHS-SJLPKXTDSA-N 1 0 323.440 3.463 10 0 DGAERO CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CCCC1 ZINC000247990927 432259649 /nfs/dbraw/zinc/25/96/49/432259649.db2.gz JDKCTVZGLFIFFP-DLBZAZTESA-N 1 0 301.434 3.016 10 0 DGAERO Cn1ncc2c1CCC[C@H]2[NH2+]C1CCN(c2cccs2)CC1 ZINC000168468493 274901911 /nfs/dbraw/zinc/90/19/11/274901911.db2.gz WPWMEGOSLFXLAB-OAHLLOKOSA-N 1 0 316.474 3.118 10 0 DGAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2c(Cl)cccc2C1 ZINC000246753355 275007008 /nfs/dbraw/zinc/00/70/08/275007008.db2.gz PTWIFYGJVALLAM-JLZZUVOBSA-N 1 0 318.848 3.145 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000249263865 275053083 /nfs/dbraw/zinc/05/30/83/275053083.db2.gz HTMQESAHOXGPLP-SOUVJXGZSA-N 1 0 310.235 3.330 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000223131499 275053596 /nfs/dbraw/zinc/05/35/96/275053596.db2.gz IMORKCABUXHATB-COLVAYQJSA-N 1 0 310.235 3.187 10 0 DGAERO c1ccc(OC2CC2)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000450387891 275067908 /nfs/dbraw/zinc/06/79/08/275067908.db2.gz IBJAVGXERJARRG-KRWDZBQOSA-N 1 0 300.446 3.288 10 0 DGAERO Brc1cc2c(s1)CC[C@H]2[NH2+][C@@H]1CCCOC1 ZINC000293592243 275368446 /nfs/dbraw/zinc/36/84/46/275368446.db2.gz FNHGRYWYFCEGMY-PSASIEDQSA-N 1 0 302.237 3.267 10 0 DGAERO Brc1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000301367690 275369457 /nfs/dbraw/zinc/36/94/57/275369457.db2.gz OMZNBWYCZLGCGX-AWEZNQCLSA-N 1 0 324.266 3.299 10 0 DGAERO Brc1cccc2c1OCC[C@H]2[NH2+]C[C@H]1CCCO1 ZINC000337368770 275375180 /nfs/dbraw/zinc/37/51/80/275375180.db2.gz NTGHGVOFLFFHJM-ZWNOBZJWSA-N 1 0 312.207 3.041 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000121047467 275477675 /nfs/dbraw/zinc/47/76/75/275477675.db2.gz NEIWUGCOEWQJLY-LEOMRAHMSA-N 1 0 304.409 3.240 10 0 DGAERO CC(C)(C)[NH2+]Cc1c(Br)cncc1Br ZINC000307570721 275516874 /nfs/dbraw/zinc/51/68/74/275516874.db2.gz CGZLUUDQPUECPP-UHFFFAOYSA-N 1 0 322.044 3.495 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1CN1CCC([NH+]2CCCC2)CC1 ZINC000127743591 275770579 /nfs/dbraw/zinc/77/05/79/275770579.db2.gz ZHBLTIZSDIBSQO-UHFFFAOYSA-N 1 0 324.900 3.257 10 0 DGAERO CC1(C)COC[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000313033031 275854965 /nfs/dbraw/zinc/85/49/65/275854965.db2.gz KHHFEHIZVKODQP-UONOGXRCSA-N 1 0 310.235 3.451 10 0 DGAERO CC(C)=CCN1CCC([NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)CC1 ZINC000328636494 275867627 /nfs/dbraw/zinc/86/76/27/275867627.db2.gz VMTOAQNNDYEENH-AEFFLSMTSA-N 1 0 308.510 3.458 10 0 DGAERO CCC[C@H](C(=O)N1CC[C@H](CSc2ccccc2)C1)[NH+](C)C ZINC000162338051 276037769 /nfs/dbraw/zinc/03/77/69/276037769.db2.gz HGVLIPIQWXHUQA-DOTOQJQBSA-N 1 0 320.502 3.358 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2scnc2c1 ZINC000171374641 276117460 /nfs/dbraw/zinc/11/74/60/276117460.db2.gz FRCYRXKQZMCYET-LLVKDONJSA-N 1 0 306.435 3.148 10 0 DGAERO CCN(Cc1nccn1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000338416804 276144681 /nfs/dbraw/zinc/14/46/81/276144681.db2.gz LCIPZGWXFNMUMY-AEFFLSMTSA-N 1 0 312.461 3.078 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000175719883 276225136 /nfs/dbraw/zinc/22/51/36/276225136.db2.gz LXOOWLKYAGFTIV-HIFRSBDPSA-N 1 0 303.406 3.097 10 0 DGAERO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000453378488 276342552 /nfs/dbraw/zinc/34/25/52/276342552.db2.gz YKBYWKBLHHQXQX-CUOATXAZSA-N 1 0 304.217 3.448 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000177694558 276376855 /nfs/dbraw/zinc/37/68/55/276376855.db2.gz KEQMHDIVPPFERG-RYUDHWBXSA-N 1 0 314.882 3.448 10 0 DGAERO C[C@H](CSc1nnc(Nc2cccc(F)c2)s1)[NH+](C)C ZINC000479223756 429719363 /nfs/dbraw/zinc/71/93/63/429719363.db2.gz YMSMKJJGGKRCIL-SECBINFHSA-N 1 0 312.439 3.463 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccccc32)C12CCOCC2 ZINC000249038288 276482541 /nfs/dbraw/zinc/48/25/41/276482541.db2.gz UPRAMPZDXMJVTM-RYQLBKOJSA-N 1 0 317.429 3.074 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccccc1F ZINC000180902996 276588981 /nfs/dbraw/zinc/58/89/81/276588981.db2.gz QKEMFQZMRKOMRE-PBHICJAKSA-N 1 0 314.408 3.325 10 0 DGAERO CN1C(=O)CCc2cc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)ccc21 ZINC000186992318 277009114 /nfs/dbraw/zinc/00/91/14/277009114.db2.gz CIMASQMLIHSVNN-SFHVURJKSA-N 1 0 324.428 3.046 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000462784640 277208629 /nfs/dbraw/zinc/20/86/29/277208629.db2.gz FQTWWJZDAKYWQE-UHFFFAOYSA-N 1 0 319.445 3.427 10 0 DGAERO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000190102641 277307215 /nfs/dbraw/zinc/30/72/15/277307215.db2.gz VKJZFYSXUJDCSG-CABCVRRESA-N 1 0 307.438 3.356 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1sc(C)nc1C ZINC000247093656 277368842 /nfs/dbraw/zinc/36/88/42/277368842.db2.gz XQMAQPJNFUFLKB-IHRRRGAJSA-N 1 0 308.447 3.066 10 0 DGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000097466680 277378010 /nfs/dbraw/zinc/37/80/10/277378010.db2.gz WEBUPLSRMUYVOO-STQMWFEESA-N 1 0 308.388 3.011 10 0 DGAERO COc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c(C)c1 ZINC000186959588 277913670 /nfs/dbraw/zinc/91/36/70/277913670.db2.gz AGBRWLPISUJTSC-HNNXBMFYSA-N 1 0 319.449 3.390 10 0 DGAERO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246661977 278036289 /nfs/dbraw/zinc/03/62/89/278036289.db2.gz WJOKXMSNAZGUHT-WVDLQDBSSA-N 1 0 319.493 3.364 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCc3cc(F)ccc31)CC2 ZINC000180533411 278110401 /nfs/dbraw/zinc/11/04/01/278110401.db2.gz HJFFULDIKCSFDF-GDBMZVCRSA-N 1 0 314.408 3.133 10 0 DGAERO C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1ccccc1F ZINC000108959160 278152876 /nfs/dbraw/zinc/15/28/76/278152876.db2.gz UWEMQTAJUPRXSL-KSSFIOAISA-N 1 0 314.404 3.348 10 0 DGAERO CC(=O)Nc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000092785650 278197098 /nfs/dbraw/zinc/19/70/98/278197098.db2.gz MAILUYGMMBHVTR-LJQANCHMSA-N 1 0 315.461 3.095 10 0 DGAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)COC2 ZINC000187676125 278255128 /nfs/dbraw/zinc/25/51/28/278255128.db2.gz CPAJKBQAXUEXQC-AWEZNQCLSA-N 1 0 317.433 3.103 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccccc1-n1cccn1 ZINC000177286468 278349632 /nfs/dbraw/zinc/34/96/32/278349632.db2.gz BFWVMACJVKUZFL-DNVCBOLYSA-N 1 0 313.445 3.464 10 0 DGAERO CC(C)(C)N1C[C@@H](c2ccccc2Cl)[C@]2(CCC[NH2+]C2)C1=O ZINC000216087861 278352575 /nfs/dbraw/zinc/35/25/75/278352575.db2.gz CHCKFJARXCICLD-KBXCAEBGSA-N 1 0 320.864 3.434 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000246753708 278594395 /nfs/dbraw/zinc/59/43/95/278594395.db2.gz PRADTQMDYFGECN-OWCLPIDISA-N 1 0 319.449 3.247 10 0 DGAERO C[C@@H]1CN(CC[NH+]2CCCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246653297 278750238 /nfs/dbraw/zinc/75/02/38/278750238.db2.gz IQUGJGKQHKVQBZ-QAPCUYQASA-N 1 0 306.425 3.073 10 0 DGAERO CCC[C@H](C(=O)N[C@H](C)c1nc(C2CCCCC2)no1)[NH+](C)C ZINC000124476277 278923014 /nfs/dbraw/zinc/92/30/14/278923014.db2.gz YPKKVNYENCQZOI-TZMCWYRMSA-N 1 0 322.453 3.025 10 0 DGAERO CCN(Cc1cccs1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106429862 279241316 /nfs/dbraw/zinc/24/13/16/279241316.db2.gz GXTZVOPAKKQVPQ-KRWDZBQOSA-N 1 0 316.470 3.270 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000245919180 279267928 /nfs/dbraw/zinc/26/79/28/279267928.db2.gz SOBJADMWPCDVFU-RWMBFGLXSA-N 1 0 306.372 3.098 10 0 DGAERO C[C@H](CCO)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178496100 279270132 /nfs/dbraw/zinc/27/01/32/279270132.db2.gz AZVGMVDEHFABMW-ZWNOBZJWSA-N 1 0 314.223 3.023 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@H]1c1ccco1)[NH+]1CCC(C)CC1 ZINC000116538783 279330599 /nfs/dbraw/zinc/33/05/99/279330599.db2.gz ILPIDMLIMPPBBW-CVEARBPZSA-N 1 0 319.449 3.247 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)C2=C(c3ccccc3)CCCC2)C1 ZINC000448760983 279395274 /nfs/dbraw/zinc/39/52/74/279395274.db2.gz HREKBWOZQYSOFY-INIZCTEOSA-N 1 0 312.457 3.472 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000069142848 431164061 /nfs/dbraw/zinc/16/40/61/431164061.db2.gz CWSUWYOFQWVYAR-GUYCJALGSA-N 1 0 303.427 3.068 10 0 DGAERO Clc1ccccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109821415 431180675 /nfs/dbraw/zinc/18/06/75/431180675.db2.gz AVMYKEGHPKFBFR-INIZCTEOSA-N 1 0 308.853 3.027 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000111229416 431201644 /nfs/dbraw/zinc/20/16/44/431201644.db2.gz HQFXUNJXCOBAHM-KRWDZBQOSA-N 1 0 311.429 3.309 10 0 DGAERO CCC[N@@H+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CCCCO1 ZINC000111229956 431201788 /nfs/dbraw/zinc/20/17/88/431201788.db2.gz MUFCFQHPMGWIIK-QGZVFWFLSA-N 1 0 314.429 3.309 10 0 DGAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccc(Br)cc1 ZINC000070088171 431240162 /nfs/dbraw/zinc/24/01/62/431240162.db2.gz KGYFYKJGFVLACL-JTQLQIEISA-N 1 0 313.239 3.144 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000112046033 431245858 /nfs/dbraw/zinc/24/58/58/431245858.db2.gz AEWOPYNJYWQEQI-IEBWSBKVSA-N 1 0 314.473 3.342 10 0 DGAERO CCS[C@H]1CCCC[N@H+](CC(=O)Nc2ccccc2OC)C1 ZINC000112089463 431247346 /nfs/dbraw/zinc/24/73/46/431247346.db2.gz ZRKUCUSBSFGJNT-AWEZNQCLSA-N 1 0 322.474 3.241 10 0 DGAERO Cc1cc(N[C@H](C)C[NH+]2CCCCC2)nc(-c2ccncc2)n1 ZINC000112074161 431248271 /nfs/dbraw/zinc/24/82/71/431248271.db2.gz ALUXWNKRHWNSIR-OAHLLOKOSA-N 1 0 311.433 3.133 10 0 DGAERO Cc1cc(NCC[NH+]2CCCCCC2)nc(-c2ccncc2)n1 ZINC000112074020 431248303 /nfs/dbraw/zinc/24/83/03/431248303.db2.gz BNTZNOCVZVJQHU-UHFFFAOYSA-N 1 0 311.433 3.135 10 0 DGAERO Cn1nccc1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000071333368 431278117 /nfs/dbraw/zinc/27/81/17/431278117.db2.gz FSICIMBGBXYTLD-UHFFFAOYSA-N 1 0 320.234 3.218 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc3cccnc32)cn1 ZINC000071797217 431289181 /nfs/dbraw/zinc/28/91/81/431289181.db2.gz UEFMWJOERKCQRT-KRWDZBQOSA-N 1 0 310.376 3.445 10 0 DGAERO CC[C@@H](OC1CCCC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000112817596 431308270 /nfs/dbraw/zinc/30/82/70/431308270.db2.gz OGWNSGOHBRYSGU-SJLPKXTDSA-N 1 0 322.493 3.201 10 0 DGAERO CC(C)[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072000881 431326014 /nfs/dbraw/zinc/32/60/14/431326014.db2.gz AETKSQXNHXKIAK-AWEZNQCLSA-N 1 0 321.440 3.134 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1Cl ZINC000113233600 431334273 /nfs/dbraw/zinc/33/42/73/431334273.db2.gz XSYQCCPVZFEHCN-ZYHUDNBSSA-N 1 0 313.228 3.302 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)sc1Cl ZINC000113226316 431334428 /nfs/dbraw/zinc/33/44/28/431334428.db2.gz CMOPYAOHZZPFEV-DTWKUNHWSA-N 1 0 319.257 3.364 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000113224750 431335714 /nfs/dbraw/zinc/33/57/14/431335714.db2.gz LRSHISLSGWNMHG-BXUZGUMPSA-N 1 0 312.335 3.014 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2ccoc2)n1 ZINC000113269636 431338343 /nfs/dbraw/zinc/33/83/43/431338343.db2.gz JXGCNMBVGMYWEV-SWLSCSKDSA-N 1 0 303.431 3.072 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)C1 ZINC000262610645 279679442 /nfs/dbraw/zinc/67/94/42/279679442.db2.gz DCXDBZUFXZIVGH-DAYGRLMNSA-N 1 0 311.429 3.349 10 0 DGAERO COc1ccc(OCc2nc(C[NH2+][C@H]3C[C@H]3C)cs2)cc1 ZINC000113335614 431341010 /nfs/dbraw/zinc/34/10/10/431341010.db2.gz NTLSXVUZXNODQB-ABAIWWIYSA-N 1 0 304.415 3.229 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000072897180 431353667 /nfs/dbraw/zinc/35/36/67/431353667.db2.gz INCVGQVARCEOJQ-OLZOCXBDSA-N 1 0 317.458 3.380 10 0 DGAERO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000073458298 431372805 /nfs/dbraw/zinc/37/28/05/431372805.db2.gz UEXKMPMGIMBQCD-KGLIPLIRSA-N 1 0 320.433 3.100 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1cccs1)c1ccccc1 ZINC000115002281 431422289 /nfs/dbraw/zinc/42/22/89/431422289.db2.gz QFIMEYUFGAMKEG-HNNXBMFYSA-N 1 0 316.470 3.445 10 0 DGAERO Cc1ccccc1[C@@H](C[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000008031146 431376132 /nfs/dbraw/zinc/37/61/32/431376132.db2.gz BEYXLEIKMJXWEV-OAHLLOKOSA-N 1 0 309.818 3.122 10 0 DGAERO COc1cc2c(cc1C[NH2+]CCc1ccsc1)O[C@H](C)C2 ZINC000073650001 431378627 /nfs/dbraw/zinc/37/86/27/431378627.db2.gz PTDCHCYIFQONAX-GFCCVEGCSA-N 1 0 303.427 3.412 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccc(F)cc1 ZINC000114482768 431389350 /nfs/dbraw/zinc/38/93/50/431389350.db2.gz DOCWOVULHUVBMN-INIZCTEOSA-N 1 0 316.380 3.105 10 0 DGAERO c1cnn(CC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000114481631 431391697 /nfs/dbraw/zinc/39/16/97/431391697.db2.gz PDBGWWAYUSENTA-KRWDZBQOSA-N 1 0 321.428 3.153 10 0 DGAERO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114564068 431397502 /nfs/dbraw/zinc/39/75/02/431397502.db2.gz LHEQDTNLVHIHRK-SFHVURJKSA-N 1 0 302.418 3.060 10 0 DGAERO CC(C)[C@@H](C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000187702050 279823496 /nfs/dbraw/zinc/82/34/96/279823496.db2.gz UURTYUNDHLQMBD-WLYUNCDWSA-N 1 0 314.429 3.228 10 0 DGAERO CCOC(=O)CCC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115556675 431461993 /nfs/dbraw/zinc/46/19/93/431461993.db2.gz XUEKTCORBOJQLC-UHFFFAOYSA-N 1 0 309.381 3.012 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)Nc2ccc(F)cc2)ccc1F ZINC000115635913 431466817 /nfs/dbraw/zinc/46/68/17/431466817.db2.gz QRDRLJXAOHLOGF-UHFFFAOYSA-N 1 0 319.355 3.348 10 0 DGAERO CC[C@@H](C)CN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115694822 431469242 /nfs/dbraw/zinc/46/92/42/431469242.db2.gz XATWOQMCRWMCOR-CYBMUJFWSA-N 1 0 309.429 3.075 10 0 DGAERO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2cccs2)nc1 ZINC000075502307 431481170 /nfs/dbraw/zinc/48/11/70/431481170.db2.gz ZYGGPXRGPCKDNG-UHFFFAOYSA-N 1 0 315.442 3.026 10 0 DGAERO CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000115801961 431473109 /nfs/dbraw/zinc/47/31/09/431473109.db2.gz IQMWUUGXJQQMFV-RDJZCZTQSA-N 1 0 320.481 3.150 10 0 DGAERO Cc1cccc(N2CCC(NC(=O)CCC3CCCC3)CC2)n1 ZINC000116667692 431520896 /nfs/dbraw/zinc/52/08/96/431520896.db2.gz CKKHTDHVUSYZIC-UHFFFAOYSA-N 1 0 315.461 3.445 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc21 ZINC000116766130 431524914 /nfs/dbraw/zinc/52/49/14/431524914.db2.gz REHXQPFGUUPLTO-CYBMUJFWSA-N 1 0 317.408 3.029 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)CC3CC[NH+](C)CC3)cc21 ZINC000116751278 431525089 /nfs/dbraw/zinc/52/50/89/431525089.db2.gz AUGZYYIUSJEPFB-UHFFFAOYSA-N 1 0 317.408 3.029 10 0 DGAERO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000262049938 279931203 /nfs/dbraw/zinc/93/12/03/279931203.db2.gz HFZWVNFFZCINJL-WBMJQRKESA-N 1 0 308.853 3.351 10 0 DGAERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)N1CCc2ccccc21 ZINC000116292481 431500228 /nfs/dbraw/zinc/50/02/28/431500228.db2.gz OURKVACMFNZMGT-QGZVFWFLSA-N 1 0 310.397 3.396 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000075862079 431503651 /nfs/dbraw/zinc/50/36/51/431503651.db2.gz KAVPXYHEKKLCLJ-AWEZNQCLSA-N 1 0 320.399 3.299 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)cn1 ZINC000116322216 431504932 /nfs/dbraw/zinc/50/49/32/431504932.db2.gz VBZOKRNDVBMNGE-HNNXBMFYSA-N 1 0 308.385 3.065 10 0 DGAERO Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)on2)cc1 ZINC000116319381 431505306 /nfs/dbraw/zinc/50/53/06/431505306.db2.gz KETZWLPFHBAYAA-MRXNPFEDSA-N 1 0 322.412 3.373 10 0 DGAERO OC[C@@H]1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000013491917 431558380 /nfs/dbraw/zinc/55/83/80/431558380.db2.gz CLVLPTHZLQBGKF-IBGZPJMESA-N 1 0 309.409 3.242 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1)c1ccccc1 ZINC000116879588 431534760 /nfs/dbraw/zinc/53/47/60/431534760.db2.gz GNALJELJPAXENC-DZGCQCFKSA-N 1 0 315.442 3.350 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1)c1ccccc1 ZINC000116879589 431535727 /nfs/dbraw/zinc/53/57/27/431535727.db2.gz GNALJELJPAXENC-UKRRQHHQSA-N 1 0 315.442 3.350 10 0 DGAERO CCCn1cc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cn1 ZINC000116912183 431537279 /nfs/dbraw/zinc/53/72/79/431537279.db2.gz PEKDPCPFQWEILN-QGZVFWFLSA-N 1 0 316.449 3.203 10 0 DGAERO CCCOc1cccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000076489960 431553066 /nfs/dbraw/zinc/55/30/66/431553066.db2.gz MFWUKUVRXYKOPC-YJBOKZPZSA-N 1 0 318.461 3.278 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3ncccc32)[C@H](C)C1 ZINC000076481147 431553740 /nfs/dbraw/zinc/55/37/40/431553740.db2.gz MSTSIGZBRUNOAI-RDTXWAMCSA-N 1 0 311.429 3.037 10 0 DGAERO O=C1CCCN1CCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000013727490 431566305 /nfs/dbraw/zinc/56/63/05/431566305.db2.gz UIXGDUVTZAGGIQ-UHFFFAOYSA-N 1 0 301.217 3.096 10 0 DGAERO CCCCOCCC[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000013719919 431567780 /nfs/dbraw/zinc/56/77/80/431567780.db2.gz IIBDMICREUUOBL-UHFFFAOYSA-N 1 0 311.422 3.009 10 0 DGAERO C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000117604134 431569377 /nfs/dbraw/zinc/56/93/77/431569377.db2.gz SKKQSMHSBZGOHS-UGSOOPFHSA-N 1 0 310.397 3.251 10 0 DGAERO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)cc1 ZINC000013991795 431571632 /nfs/dbraw/zinc/57/16/32/431571632.db2.gz VQYIRKDTWAJTGS-OAHLLOKOSA-N 1 0 313.397 3.107 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000077204629 431573371 /nfs/dbraw/zinc/57/33/71/431573371.db2.gz HGULYHJBMNROMY-TZMCWYRMSA-N 1 0 303.324 3.226 10 0 DGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC23CCC3)C1 ZINC000435506168 280277493 /nfs/dbraw/zinc/27/74/93/280277493.db2.gz SPVRVMZWTYIWER-OAHLLOKOSA-N 1 0 307.482 3.225 10 0 DGAERO CC(C)[C@H](Sc1ccccc1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261673287 280350566 /nfs/dbraw/zinc/35/05/66/280350566.db2.gz AFCHABPSTGLCHC-DOTOQJQBSA-N 1 0 306.475 3.001 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000118422385 431603492 /nfs/dbraw/zinc/60/34/92/431603492.db2.gz USWLRYBNDCPRJG-WMLDXEAASA-N 1 0 306.475 3.080 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117857467 431580708 /nfs/dbraw/zinc/58/07/08/431580708.db2.gz ZBTCIBLEONUYFY-OAHLLOKOSA-N 1 0 304.459 3.238 10 0 DGAERO CCn1cnnc1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000117880820 431582338 /nfs/dbraw/zinc/58/23/38/431582338.db2.gz UTUVGCNWOGQKSZ-UHFFFAOYSA-N 1 0 316.474 3.270 10 0 DGAERO Cc1cccc(-c2noc(C[N@@H+](C(C)C)C3CCOCC3)n2)c1 ZINC000077323504 431585817 /nfs/dbraw/zinc/58/58/17/431585817.db2.gz DRCYMQQERJLYOC-UHFFFAOYSA-N 1 0 315.417 3.434 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000077612491 431612518 /nfs/dbraw/zinc/61/25/18/431612518.db2.gz UFZFROBEPXDVHS-ZWKOTPCHSA-N 1 0 300.446 3.124 10 0 DGAERO CCn1nccc1C[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000119101231 431646797 /nfs/dbraw/zinc/64/67/97/431646797.db2.gz NNGYESDOSXPETF-UHFFFAOYSA-N 1 0 314.364 3.029 10 0 DGAERO CC[C@H](C)[C@@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccccn1 ZINC000027521975 431689221 /nfs/dbraw/zinc/68/92/21/431689221.db2.gz FLQLIOAESQMRTQ-QFBILLFUSA-N 1 0 319.493 3.360 10 0 DGAERO C[C@H](C[N@@H+]1CCCC2(C1)CCCCCC2)CS(C)(=O)=O ZINC000119473671 431696697 /nfs/dbraw/zinc/69/66/97/431696697.db2.gz OWZQVKOJMBDAEZ-OAHLLOKOSA-N 1 0 301.496 3.104 10 0 DGAERO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079406624 431723903 /nfs/dbraw/zinc/72/39/03/431723903.db2.gz DMOANASVSVVGGZ-DOTOQJQBSA-N 1 0 318.461 3.385 10 0 DGAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000079486523 431725477 /nfs/dbraw/zinc/72/54/77/431725477.db2.gz UYCIIPRBSCHKOI-RBUKOAKNSA-N 1 0 303.446 3.219 10 0 DGAERO C[C@H](C1CC1)[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000121053268 431741281 /nfs/dbraw/zinc/74/12/81/431741281.db2.gz ALRHIJIOCGDASV-PWSUYJOCSA-N 1 0 318.244 3.463 10 0 DGAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cc(Cl)ccc1Cl ZINC000121260345 431762634 /nfs/dbraw/zinc/76/26/34/431762634.db2.gz WHORRGQSGCMXOS-VIFPVBQESA-N 1 0 316.232 3.187 10 0 DGAERO COc1cccc([C@@H](C)[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000081668336 431799608 /nfs/dbraw/zinc/79/96/08/431799608.db2.gz YRZCBUUJVIASHY-CQSZACIVSA-N 1 0 317.458 3.425 10 0 DGAERO CCCCSCCC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000122174591 431818262 /nfs/dbraw/zinc/81/82/62/431818262.db2.gz DHMXNPQOBIVHLB-LSDHHAIUSA-N 1 0 300.512 3.099 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccncc1C ZINC000122033319 431809965 /nfs/dbraw/zinc/80/99/65/431809965.db2.gz PLPOLLPUWNFKLW-OAHLLOKOSA-N 1 0 313.405 3.109 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000122153331 431816202 /nfs/dbraw/zinc/81/62/02/431816202.db2.gz HECKKOUWGZKBKN-CPUCHLNUSA-N 1 0 319.449 3.244 10 0 DGAERO CCCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000036954874 431842437 /nfs/dbraw/zinc/84/24/37/431842437.db2.gz IXRMTMABCJWAEV-ZIAGYGMSSA-N 1 0 312.479 3.344 10 0 DGAERO COC[C@@](C)(CCO)[NH2+]CCCSc1ccccc1Cl ZINC000085903377 431842812 /nfs/dbraw/zinc/84/28/12/431842812.db2.gz HWDNKVUHMWDPTP-OAHLLOKOSA-N 1 0 317.882 3.199 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccs1 ZINC000037090052 431844046 /nfs/dbraw/zinc/84/40/46/431844046.db2.gz BJVAHAVWLRYVBE-UONOGXRCSA-N 1 0 302.447 3.248 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccs1 ZINC000037090049 431844354 /nfs/dbraw/zinc/84/43/54/431844354.db2.gz BJVAHAVWLRYVBE-KGLIPLIRSA-N 1 0 302.447 3.248 10 0 DGAERO Fc1cccc(F)c1CN1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086253527 431844456 /nfs/dbraw/zinc/84/44/56/431844456.db2.gz INEYNOCXHDRECE-AWEZNQCLSA-N 1 0 305.372 3.047 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1)CCO2 ZINC000037232121 431844749 /nfs/dbraw/zinc/84/47/49/431844749.db2.gz AVAJWPHSPNLQQR-AWEZNQCLSA-N 1 0 319.202 3.458 10 0 DGAERO Clc1ccc([C@H]([NH2+]CCCN2CCOCC2)C2CC2)cc1 ZINC000037232317 431845156 /nfs/dbraw/zinc/84/51/56/431845156.db2.gz DPEDKDLSVBXHEG-QGZVFWFLSA-N 1 0 308.853 3.103 10 0 DGAERO C[C@@H]1CN(CCOc2c(Cl)cccc2Cl)[C@@H](C)C[NH2+]1 ZINC000086470715 431845954 /nfs/dbraw/zinc/84/59/54/431845954.db2.gz DVDBUBRZRJDCKF-MNOVXSKESA-N 1 0 303.233 3.054 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc(Cl)c1 ZINC000086485724 431845973 /nfs/dbraw/zinc/84/59/73/431845973.db2.gz DWWAMBHRTJTFMC-DFBGVHRSSA-N 1 0 315.866 3.346 10 0 DGAERO CC(C)c1ccc(OCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000122850766 431846288 /nfs/dbraw/zinc/84/62/88/431846288.db2.gz HHRIUXCPDBPJAC-WBVHZDCISA-N 1 0 318.461 3.130 10 0 DGAERO COC(=O)CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000037416968 431846601 /nfs/dbraw/zinc/84/66/01/431846601.db2.gz RRMSBESEVIQEOM-JTQLQIEISA-N 1 0 300.196 3.053 10 0 DGAERO NC(=O)C1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000037424646 431847139 /nfs/dbraw/zinc/84/71/39/431847139.db2.gz KAXTUDIFCXVQBA-UHFFFAOYSA-N 1 0 301.217 3.127 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)C2(c3ccccc3)CCCC2)CC[N@@H+]1C ZINC000122876767 431847298 /nfs/dbraw/zinc/84/72/98/431847298.db2.gz OCWGZJLRJMAKBQ-WMZOPIPTSA-N 1 0 314.473 3.440 10 0 DGAERO CCc1nccn1[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000122926154 431849010 /nfs/dbraw/zinc/84/90/10/431849010.db2.gz PLTBHYMHZXIVDD-AWEZNQCLSA-N 1 0 309.417 3.159 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000123112309 431855858 /nfs/dbraw/zinc/85/58/58/431855858.db2.gz NFGPUHJSWUONBT-GDBMZVCRSA-N 1 0 306.450 3.085 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1F ZINC000088352453 431857105 /nfs/dbraw/zinc/85/71/05/431857105.db2.gz QRLFWPMNKVDTTG-CQSZACIVSA-N 1 0 306.425 3.432 10 0 DGAERO C[C@H]1CC(CCN2CC[NH+](C3CCOCC3)CC2)C[C@H](C)C1 ZINC000089138785 431860423 /nfs/dbraw/zinc/86/04/23/431860423.db2.gz UJLHAGPPZOMQHT-IAGOWNOFSA-N 1 0 308.510 3.245 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000089162428 431861488 /nfs/dbraw/zinc/86/14/88/431861488.db2.gz AMIHVVUXPAXDBW-IUODEOHRSA-N 1 0 306.406 3.200 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1cc(Cl)sc1Cl)N1CCOCC1 ZINC000123353568 431862572 /nfs/dbraw/zinc/86/25/72/431862572.db2.gz BOZHSHMHMXLGKY-NXEZZACHSA-N 1 0 323.289 3.426 10 0 DGAERO CCOc1cc(C[N@H+](C)C[C@@](C)(O)CC)ccc1OC(F)F ZINC000123372724 431862992 /nfs/dbraw/zinc/86/29/92/431862992.db2.gz YFKXXJKRYQBFFA-INIZCTEOSA-N 1 0 317.376 3.280 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000123391113 431863623 /nfs/dbraw/zinc/86/36/23/431863623.db2.gz KZZNBKIUEVVONA-STQMWFEESA-N 1 0 316.367 3.077 10 0 DGAERO CCCn1c2ccccc2nc1CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000123392545 431863735 /nfs/dbraw/zinc/86/37/35/431863735.db2.gz QSGKCJLBMIZJTL-MRXNPFEDSA-N 1 0 314.477 3.362 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000123435024 431865007 /nfs/dbraw/zinc/86/50/07/431865007.db2.gz TXDPDFSAFSORLR-CHWSQXEVSA-N 1 0 316.367 3.077 10 0 DGAERO C[NH+](C)CCCC1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000123449336 431865344 /nfs/dbraw/zinc/86/53/44/431865344.db2.gz FVEKBWHPADZAOH-UHFFFAOYSA-N 1 0 320.481 3.281 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(OCCCOC)c1 ZINC000123457427 431865818 /nfs/dbraw/zinc/86/58/18/431865818.db2.gz LCFZJRNIKVXNFF-SFHVURJKSA-N 1 0 320.477 3.018 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](c3ccccc3)C1(C)C)CC2 ZINC000123500391 431866757 /nfs/dbraw/zinc/86/67/57/431866757.db2.gz JLNMHLBBABNSIH-BRWVUGGUSA-N 1 0 324.472 3.327 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(-c2ccccc2)o1 ZINC000123526122 431867612 /nfs/dbraw/zinc/86/76/12/431867612.db2.gz ZZAXUPDIVKXNRJ-JKSUJKDBSA-N 1 0 314.429 3.318 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCc2nc(C)no2)c2ccccc12 ZINC000089518122 431868501 /nfs/dbraw/zinc/86/85/01/431868501.db2.gz SANBZCXVIZBELD-GFCCVEGCSA-N 1 0 311.385 3.433 10 0 DGAERO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCc1nc(C)no1 ZINC000089518402 431868668 /nfs/dbraw/zinc/86/86/68/431868668.db2.gz BAEZJEPMNKNNHO-SNVBAGLBSA-N 1 0 309.797 3.323 10 0 DGAERO C[NH2+]C[C@@H]1CCCN1CCOc1c(Cl)cccc1Cl ZINC000123591046 431868818 /nfs/dbraw/zinc/86/88/18/431868818.db2.gz SGSPUAIUHDEXIS-NSHDSACASA-N 1 0 303.233 3.056 10 0 DGAERO C[C@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1ccc(Cl)s1 ZINC000043595309 431869609 /nfs/dbraw/zinc/86/96/09/431869609.db2.gz NGSJUHYWCQWAKI-ZUZCIYMTSA-N 1 0 320.845 3.466 10 0 DGAERO Cc1nn(C)cc1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000123626513 431870069 /nfs/dbraw/zinc/87/00/69/431870069.db2.gz INLWNTFTBMBDNO-HNNXBMFYSA-N 1 0 320.234 3.268 10 0 DGAERO C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000089587488 431871313 /nfs/dbraw/zinc/87/13/13/431871313.db2.gz GXQIMXMGXXFWLR-POZUXBRTSA-N 1 0 319.412 3.117 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000089587483 431871326 /nfs/dbraw/zinc/87/13/26/431871326.db2.gz GXQIMXMGXXFWLR-UCLAIMLFSA-N 1 0 319.412 3.117 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)c(F)cc2Cl)CC[N@@H+]1C ZINC000123705290 431872057 /nfs/dbraw/zinc/87/20/57/431872057.db2.gz JQIDWCQLDIJQOO-NXEZZACHSA-N 1 0 316.779 3.173 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)c1ccc(Br)s1 ZINC000084228320 431819151 /nfs/dbraw/zinc/81/91/51/431819151.db2.gz HLVQLWNFCRLFDK-AEJSXWLSSA-N 1 0 304.253 3.322 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)CCCO2 ZINC000122253779 431822689 /nfs/dbraw/zinc/82/26/89/431822689.db2.gz HAYROCDNDPTGJL-SFHVURJKSA-N 1 0 324.424 3.406 10 0 DGAERO CSCc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000122265331 431824498 /nfs/dbraw/zinc/82/44/98/431824498.db2.gz ZRWHVONNJASAMD-CJNGLKHVSA-N 1 0 321.490 3.400 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc3cccnc32)CCN1C ZINC000123747086 431872843 /nfs/dbraw/zinc/87/28/43/431872843.db2.gz FLDITTOCCMGTBO-GUYCJALGSA-N 1 0 301.409 3.288 10 0 DGAERO CCCCS[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000122386306 431831784 /nfs/dbraw/zinc/83/17/84/431831784.db2.gz YWGGVRBOPKUMFO-ZNMIVQPWSA-N 1 0 300.512 3.097 10 0 DGAERO Cc1ccc(/C=C/CC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000084743503 431832986 /nfs/dbraw/zinc/83/29/86/431832986.db2.gz KEOIEBGJAGSOEW-ZNNBYXKUSA-N 1 0 300.446 3.246 10 0 DGAERO COCC[N@@H+](Cc1ccc(C)s1)C[C@H](O)Cc1ccccc1 ZINC000036101029 431836083 /nfs/dbraw/zinc/83/60/83/431836083.db2.gz JIKKDQLIXHSXTB-QGZVFWFLSA-N 1 0 319.470 3.109 10 0 DGAERO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000047973779 431917848 /nfs/dbraw/zinc/91/78/48/431917848.db2.gz OFSLGMGUIRSEOU-ZFWWWQNUSA-N 1 0 317.458 3.411 10 0 DGAERO CC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1c(C)noc1C ZINC000125246768 431918158 /nfs/dbraw/zinc/91/81/58/431918158.db2.gz ZHVOOYPVVITRJK-GJZGRUSLSA-N 1 0 324.469 3.018 10 0 DGAERO CSc1nc(Cl)cc(OCCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095071795 431920524 /nfs/dbraw/zinc/92/05/24/431920524.db2.gz NGSCIYLQUNXHDW-JTQLQIEISA-N 1 0 301.843 3.153 10 0 DGAERO CCOc1nc2ccccc2nc1OCCC[C@@H]1CCC[NH2+]C1 ZINC000095069744 431920536 /nfs/dbraw/zinc/92/05/36/431920536.db2.gz KWZLQYPQOGJPBH-AWEZNQCLSA-N 1 0 315.417 3.187 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1OC(C)C ZINC000048192847 431920578 /nfs/dbraw/zinc/92/05/78/431920578.db2.gz JWCMREFTIPMTHE-CQSZACIVSA-N 1 0 307.438 3.326 10 0 DGAERO Brc1ccc(C[C@H]2COCC[C@@H]2[NH2+]C2CC2)cc1 ZINC000095079470 431921606 /nfs/dbraw/zinc/92/16/06/431921606.db2.gz BDCJZGMUZJZHKA-WFASDCNBSA-N 1 0 310.235 3.149 10 0 DGAERO Cc1ccc(Cn2c3ccccc3nc2N2CCC[NH2+]CC2)cc1 ZINC000095090056 431921820 /nfs/dbraw/zinc/92/18/20/431921820.db2.gz JPWPQEWXVFDSNZ-UHFFFAOYSA-N 1 0 320.440 3.193 10 0 DGAERO CC[C@@H](C[N@H+](C)Cc1ccccc1)n1c(CO)nc2cccnc21 ZINC000095089597 431922051 /nfs/dbraw/zinc/92/20/51/431922051.db2.gz USJZDOIEIFZVEV-INIZCTEOSA-N 1 0 324.428 3.007 10 0 DGAERO CC[NH2+]CCC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095091568 431922067 /nfs/dbraw/zinc/92/20/67/431922067.db2.gz AODDWJUXXVDXLE-INIZCTEOSA-N 1 0 304.434 3.425 10 0 DGAERO CC(=O)Nc1cccc(CN2CCO[C@H](c3ccsc3)C2)c1 ZINC000125398989 431923608 /nfs/dbraw/zinc/92/36/08/431923608.db2.gz MYAWABIVCUOTGB-KRWDZBQOSA-N 1 0 316.426 3.280 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C2(c3cccc(F)c3)CCC2)CC[N@@H+]1C ZINC000123831609 431875361 /nfs/dbraw/zinc/87/53/61/431875361.db2.gz BUTPBZZHSJTKFQ-RHSMWYFYSA-N 1 0 318.436 3.189 10 0 DGAERO Cc1cnn(CC[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)c1 ZINC000123841471 431875768 /nfs/dbraw/zinc/87/57/68/431875768.db2.gz FVWVPTGEKQUXBP-CYBMUJFWSA-N 1 0 309.360 3.452 10 0 DGAERO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732103 431876501 /nfs/dbraw/zinc/87/65/01/431876501.db2.gz QCLMWCXOZUYVQM-MSOLQXFVSA-N 1 0 310.445 3.056 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Cc1ccccc1 ZINC000044670932 431876512 /nfs/dbraw/zinc/87/65/12/431876512.db2.gz GDIMGGNXQCSMDA-IBGZPJMESA-N 1 0 322.452 3.492 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1C ZINC000089733462 431877273 /nfs/dbraw/zinc/87/72/73/431877273.db2.gz QYKQYIPDJXRKTJ-DLBZAZTESA-N 1 0 310.445 3.413 10 0 DGAERO C[C@H]1CCC[C@@](CNC(=O)c2scnc2C2CC2)([NH+](C)C)C1 ZINC000089772947 431878389 /nfs/dbraw/zinc/87/83/89/431878389.db2.gz CNIMPOJMSYAXJS-YVEFUNNKSA-N 1 0 321.490 3.261 10 0 DGAERO O=C(c1scnc1C1CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000089829017 431881036 /nfs/dbraw/zinc/88/10/36/431881036.db2.gz AVINFJNPGSCECR-UHFFFAOYSA-N 1 0 319.474 3.111 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(OCC3CC3)cc2)CC[N@@H+]1C ZINC000124076158 431882123 /nfs/dbraw/zinc/88/21/23/431882123.db2.gz CMXCGTOVASGOLE-WMLDXEAASA-N 1 0 316.445 3.030 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(OCC3CC3)cc2)CC[N@@H+]1C ZINC000124076616 431882359 /nfs/dbraw/zinc/88/23/59/431882359.db2.gz CMXCGTOVASGOLE-YOEHRIQHSA-N 1 0 316.445 3.030 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CCc1ccccc1OC ZINC000124178413 431885088 /nfs/dbraw/zinc/88/50/88/431885088.db2.gz BHWPKYVGWOLZBD-UHFFFAOYSA-N 1 0 312.413 3.376 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cccc3)cc2)CC[N@@H+]1C ZINC000124171717 431885168 /nfs/dbraw/zinc/88/51/68/431885168.db2.gz TWOAXIHTZHVRLM-CRAIPNDOSA-N 1 0 311.429 3.032 10 0 DGAERO CCCOc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124375457 431891870 /nfs/dbraw/zinc/89/18/70/431891870.db2.gz BHELHYRKCFIHNQ-ZBFHGGJFSA-N 1 0 304.434 3.030 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](CCC3OCCO3)C2)n1 ZINC000124423557 431893368 /nfs/dbraw/zinc/89/33/68/431893368.db2.gz AQYURCGXNRJWMH-CYBMUJFWSA-N 1 0 310.463 3.209 10 0 DGAERO COc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000090773168 431894801 /nfs/dbraw/zinc/89/48/01/431894801.db2.gz HKGAYORIIRLIKC-NVXWUHKLSA-N 1 0 320.477 3.475 10 0 DGAERO CCC[C@@H](C(=O)N[C@H](C)c1nc(C2CCCCC2)no1)[NH+](C)C ZINC000124476035 431895499 /nfs/dbraw/zinc/89/54/99/431895499.db2.gz YPKKVNYENCQZOI-OCCSQVGLSA-N 1 0 322.453 3.025 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1cncc(F)c1 ZINC000090879230 431896978 /nfs/dbraw/zinc/89/69/78/431896978.db2.gz MSIVDUUOVFTOTO-QWHCGFSZSA-N 1 0 311.364 3.213 10 0 DGAERO CCCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124537513 431897043 /nfs/dbraw/zinc/89/70/43/431897043.db2.gz JGLVXKGLMHVQAF-NVXWUHKLSA-N 1 0 318.461 3.420 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000090938666 431898816 /nfs/dbraw/zinc/89/88/16/431898816.db2.gz YENKNEDKAGKUBN-HZPDHXFCSA-N 1 0 321.424 3.444 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccn1 ZINC000090943019 431898883 /nfs/dbraw/zinc/89/88/83/431898883.db2.gz YLSGVYRQLOPZPU-UYHISHBKSA-N 1 0 317.383 3.456 10 0 DGAERO CC(C)(C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1F ZINC000124746666 431903357 /nfs/dbraw/zinc/90/33/57/431903357.db2.gz ZVVVCMDTFWQHIA-UHFFFAOYSA-N 1 0 318.436 3.190 10 0 DGAERO CCCc1cc(N[C@H]2CCc3ncnn3C2)c2ccccc2[nH+]1 ZINC000124762320 431903442 /nfs/dbraw/zinc/90/34/42/431903442.db2.gz RPOMNEZKXAFFBK-AWEZNQCLSA-N 1 0 307.401 3.206 10 0 DGAERO FC(F)COc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091978830 431905930 /nfs/dbraw/zinc/90/59/30/431905930.db2.gz JTUKHWWENHALAC-HOTGVXAUSA-N 1 0 311.372 3.474 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)s1 ZINC000091856964 431906771 /nfs/dbraw/zinc/90/67/71/431906771.db2.gz FRLLSJOGSCBBMQ-UONOGXRCSA-N 1 0 312.504 3.048 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043415 431907272 /nfs/dbraw/zinc/90/72/72/431907272.db2.gz HJRFEQHXJNBWOZ-HIFRSBDPSA-N 1 0 324.900 3.113 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cc(Br)ccc1F ZINC000127376497 431971031 /nfs/dbraw/zinc/97/10/31/431971031.db2.gz DYXRNRSJZIYQLY-MWODSPESSA-N 1 0 302.187 3.416 10 0 DGAERO C[C@H](CC[NH+](C)C)NCc1ccc(Br)c(F)c1 ZINC000127430645 431971767 /nfs/dbraw/zinc/97/17/67/431971767.db2.gz CYRDUQDRIPBTMY-SNVBAGLBSA-N 1 0 303.219 3.018 10 0 DGAERO Cc1ccc(-c2n[nH]cc2CN2CCC([NH+]3CCCC3)CC2)o1 ZINC000127702583 431978172 /nfs/dbraw/zinc/97/81/72/431978172.db2.gz BLANSYKFYWSPTR-UHFFFAOYSA-N 1 0 314.433 3.038 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000098112499 431978703 /nfs/dbraw/zinc/97/87/03/431978703.db2.gz CMJZBFOWPZKJEO-QYZOEREBSA-N 1 0 308.425 3.209 10 0 DGAERO CN1CC[C@@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127734537 431979262 /nfs/dbraw/zinc/97/92/62/431979262.db2.gz QIVUPNURBLTJGS-SJORKVTESA-N 1 0 316.351 3.140 10 0 DGAERO Cc1nccn1CCCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000125530881 431928623 /nfs/dbraw/zinc/92/86/23/431928623.db2.gz PPPKSXMXRVNEGQ-SFHVURJKSA-N 1 0 305.466 3.395 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2cnn(-c3cccc(Cl)c3)c2)C[N@@H+]1C ZINC000096009213 431934208 /nfs/dbraw/zinc/93/42/08/431934208.db2.gz LPMLJUZJXHZBSX-DYVFJYSZSA-N 1 0 318.852 3.050 10 0 DGAERO CC[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccccc1OC(F)F ZINC000125815977 431936494 /nfs/dbraw/zinc/93/64/94/431936494.db2.gz WALJLKOVFMCLRY-LBPRGKRZSA-N 1 0 314.376 3.243 10 0 DGAERO CC[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1cccs1 ZINC000049530539 431941512 /nfs/dbraw/zinc/94/15/12/431941512.db2.gz CMEAJJUVQBWHIZ-ZDUSSCGKSA-N 1 0 320.483 3.435 10 0 DGAERO CCC[C@H](C(=O)N(C)Cc1ccc(SC)c(OC)c1)[NH+](C)C ZINC000126122601 431943036 /nfs/dbraw/zinc/94/30/36/431943036.db2.gz GRCITOGUHAPKEY-CQSZACIVSA-N 1 0 324.490 3.106 10 0 DGAERO CCCC[N@H+](CCO)CCOc1c(Cl)cccc1Cl ZINC000049800400 431943501 /nfs/dbraw/zinc/94/35/01/431943501.db2.gz YDQIIVMDEOGFDA-UHFFFAOYSA-N 1 0 306.233 3.467 10 0 DGAERO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000126551895 431952788 /nfs/dbraw/zinc/95/27/88/431952788.db2.gz LIUFXRILJXHVTI-RDJZCZTQSA-N 1 0 316.445 3.118 10 0 DGAERO CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000052593805 431956443 /nfs/dbraw/zinc/95/64/43/431956443.db2.gz DOKZDKKBGYWPDE-MRXNPFEDSA-N 1 0 323.868 3.356 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 ZINC000052555328 431956827 /nfs/dbraw/zinc/95/68/27/431956827.db2.gz DUAIECDEGZWHQJ-QGZVFWFLSA-N 1 0 316.470 3.490 10 0 DGAERO C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CCC[C@@H]1O ZINC000053923739 431965780 /nfs/dbraw/zinc/96/57/80/431965780.db2.gz NAGGKCIENNMOKR-QWRGUYRKSA-N 1 0 304.253 3.103 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127354761 431970225 /nfs/dbraw/zinc/97/02/25/431970225.db2.gz ASTXLVQZOLWBMK-MSOLQXFVSA-N 1 0 303.446 3.326 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2sccc2-n2cccc2)CC[N@@H+]1C ZINC000127895144 431982888 /nfs/dbraw/zinc/98/28/88/431982888.db2.gz INQWKQDPORYAOG-KGLIPLIRSA-N 1 0 317.458 3.094 10 0 DGAERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1C(C)C ZINC000127795466 431981780 /nfs/dbraw/zinc/98/17/80/431981780.db2.gz YWEFQSBYLQYDGP-CZUORRHYSA-N 1 0 305.466 3.241 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)[C@@H](C)C2 ZINC000180076860 281116240 /nfs/dbraw/zinc/11/62/40/281116240.db2.gz WOTPOLDBKWXBMZ-HNAYVOBHSA-N 1 0 314.473 3.465 10 0 DGAERO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccccc3C)CC2)nn1 ZINC000127979546 431985639 /nfs/dbraw/zinc/98/56/39/431985639.db2.gz NJLYZHGTFBDTEM-KRWDZBQOSA-N 1 0 310.445 3.367 10 0 DGAERO Cc1ccc(C[N@H+](C)CCC(=O)N2CCc3sccc3C2)o1 ZINC000055898243 431986527 /nfs/dbraw/zinc/98/65/27/431986527.db2.gz BFJGTGUFLZTBHT-UHFFFAOYSA-N 1 0 318.442 3.056 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2ccccc2c1O ZINC000175436171 281192622 /nfs/dbraw/zinc/19/26/22/281192622.db2.gz TXSDGDKCFFBNNV-JKSUJKDBSA-N 1 0 324.424 3.244 10 0 DGAERO C[N@@H+](Cc1ccccc1OCc1cccnc1)C[C@H]1CCCO1 ZINC000128086664 431987542 /nfs/dbraw/zinc/98/75/42/431987542.db2.gz WKFRBHNCYUJGCB-GOSISDBHSA-N 1 0 312.413 3.271 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000056786081 431988490 /nfs/dbraw/zinc/98/84/90/431988490.db2.gz HRONSTFIHWHMBZ-GUTXKFCHSA-N 1 0 307.438 3.069 10 0 DGAERO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000245610851 281304901 /nfs/dbraw/zinc/30/49/01/281304901.db2.gz VFHWQAZOGMZGTI-HLLBOEOZSA-N 1 0 317.429 3.055 10 0 DGAERO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000183212309 432269261 /nfs/dbraw/zinc/26/92/61/432269261.db2.gz QOILZZAKSIHOLC-VXGBXAGGSA-N 1 0 306.793 3.198 10 0 DGAERO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248128148 432270684 /nfs/dbraw/zinc/27/06/84/432270684.db2.gz VZZFNGVMFPOHIU-MOPGFXCFSA-N 1 0 308.425 3.479 10 0 DGAERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1C ZINC000248131988 432270808 /nfs/dbraw/zinc/27/08/08/432270808.db2.gz WPWKJCUUSAUBNK-MOPGFXCFSA-N 1 0 308.425 3.479 10 0 DGAERO CCNC(=O)C(C)(C)C[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000183222553 432271049 /nfs/dbraw/zinc/27/10/49/432271049.db2.gz PJQJVESVODGXDC-MRXNPFEDSA-N 1 0 320.477 3.014 10 0 DGAERO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000173406799 432275324 /nfs/dbraw/zinc/27/53/24/432275324.db2.gz VOLOBIJAXWHOLY-HZTRTUMWSA-N 1 0 307.482 3.270 10 0 DGAERO OCC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)C1CCCCC1 ZINC000173378498 432275552 /nfs/dbraw/zinc/27/55/52/432275552.db2.gz AFXLRMXJRFVMCR-UHFFFAOYSA-N 1 0 317.408 3.138 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(F)c1F ZINC000183271906 432276396 /nfs/dbraw/zinc/27/63/96/432276396.db2.gz KGKMSUISNSXIRV-STQMWFEESA-N 1 0 320.387 3.018 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)CC2 ZINC000183293224 432280665 /nfs/dbraw/zinc/28/06/65/432280665.db2.gz YXFMDNSYSLFWRF-NWDGAFQWSA-N 1 0 320.387 3.345 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(F)cc2F)[C@@H](C)C1 ZINC000248356770 432280937 /nfs/dbraw/zinc/28/09/37/432280937.db2.gz OSUWPCUUJUWANZ-BLLLJJGKSA-N 1 0 310.388 3.076 10 0 DGAERO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000248385811 432283638 /nfs/dbraw/zinc/28/36/38/432283638.db2.gz KBQFRUHYSYGFDI-GDBMZVCRSA-N 1 0 301.409 3.370 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1 ZINC000248393671 432285316 /nfs/dbraw/zinc/28/53/16/432285316.db2.gz LZODMNCMAAPKEN-CRAIPNDOSA-N 1 0 309.413 3.329 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248411788 432287381 /nfs/dbraw/zinc/28/73/81/432287381.db2.gz ZRAWFVFTRKGPHU-ZXFNITATSA-N 1 0 313.445 3.199 10 0 DGAERO O[C@@H](C[NH+]1CCC(c2ccncc2)CC1)c1cc(F)ccc1F ZINC000191647273 432287649 /nfs/dbraw/zinc/28/76/49/432287649.db2.gz GJZGYTAIDGIMEY-SFHVURJKSA-N 1 0 318.367 3.273 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000248419389 432288573 /nfs/dbraw/zinc/28/85/73/432288573.db2.gz UYPOURQMNLZJBJ-ROUUACIJSA-N 1 0 310.445 3.135 10 0 DGAERO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000248443497 432291563 /nfs/dbraw/zinc/29/15/63/432291563.db2.gz VVXPBPZVXLUPEY-HZPDHXFCSA-N 1 0 321.465 3.060 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCc3ccc(C)cc3)[C@@H]2C1 ZINC000248464856 432293339 /nfs/dbraw/zinc/29/33/39/432293339.db2.gz RFNVLKONWTWVBH-QRVBRYPASA-N 1 0 303.446 3.196 10 0 DGAERO C[C@H](O)[C@](C)(C[NH2+]Cc1ccc2c[nH]nc2c1)Cc1ccccc1 ZINC000191721952 432295410 /nfs/dbraw/zinc/29/54/10/432295410.db2.gz NCIVHEAQJVTBOS-YWZLYKJASA-N 1 0 323.440 3.282 10 0 DGAERO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248504403 432296001 /nfs/dbraw/zinc/29/60/01/432296001.db2.gz VLWFTFPIFDEVII-NTDBWNAOSA-N 1 0 300.446 3.230 10 0 DGAERO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccccc1Cl ZINC000183471418 432296218 /nfs/dbraw/zinc/29/62/18/432296218.db2.gz OAILMONCPCUWBE-LLVKDONJSA-N 1 0 303.793 3.292 10 0 DGAERO CCc1cccc2c(CC(=O)N(CC[NH+](C)C)C(C)C)c[nH]c21 ZINC000152014123 432296327 /nfs/dbraw/zinc/29/63/27/432296327.db2.gz BKGVQTQWGJKQJX-UHFFFAOYSA-N 1 0 315.461 3.071 10 0 DGAERO COCCC[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000183496670 432297117 /nfs/dbraw/zinc/29/71/17/432297117.db2.gz XAFMXPBZGBQOCS-HNNXBMFYSA-N 1 0 304.434 3.284 10 0 DGAERO COCCC[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000183496685 432297172 /nfs/dbraw/zinc/29/71/72/432297172.db2.gz XAFMXPBZGBQOCS-OAHLLOKOSA-N 1 0 304.434 3.284 10 0 DGAERO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C(C)(C)C)c1 ZINC000183510311 432298675 /nfs/dbraw/zinc/29/86/75/432298675.db2.gz BGDDREWWPMNZBE-QWHCGFSZSA-N 1 0 320.433 3.215 10 0 DGAERO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc(Cl)s1 ZINC000183507390 432298843 /nfs/dbraw/zinc/29/88/43/432298843.db2.gz JGSNGOKCSYMIET-VIFPVBQESA-N 1 0 309.822 3.354 10 0 DGAERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(F)cc1F ZINC000248587764 432303887 /nfs/dbraw/zinc/30/38/87/432303887.db2.gz YFRVJMRWBZPOQU-SCLBCKFNSA-N 1 0 323.383 3.165 10 0 DGAERO CC[C@@H](NC(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000057796619 431994132 /nfs/dbraw/zinc/99/41/32/431994132.db2.gz DNTKBABLQALYQV-DLBZAZTESA-N 1 0 303.450 3.230 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C)cc2C)[C@H](C)C1 ZINC000128508743 431995758 /nfs/dbraw/zinc/99/57/58/431995758.db2.gz RCWMKJOGMZQRHH-AEFFLSMTSA-N 1 0 317.477 3.175 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)nc2ccccc12 ZINC000128655277 431997644 /nfs/dbraw/zinc/99/76/44/431997644.db2.gz NMGWRGDITDOXHA-MSOLQXFVSA-N 1 0 321.428 3.408 10 0 DGAERO O[C@@H](C[N@@H+]1CC[C@H](Nc2ccccc2)C1)c1c(F)cccc1F ZINC000102845889 431998519 /nfs/dbraw/zinc/99/85/19/431998519.db2.gz QJQKQSLDEPHEMX-YOEHRIQHSA-N 1 0 318.367 3.185 10 0 DGAERO Cc1noc([C@H](C)N2CC[NH+]([C@H](C)c3ccccc3C)CC2)n1 ZINC000128694999 431998836 /nfs/dbraw/zinc/99/88/36/431998836.db2.gz VVZAIBLJRVSQAZ-CABCVRRESA-N 1 0 314.433 3.126 10 0 DGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000183128868 432261070 /nfs/dbraw/zinc/26/10/70/432261070.db2.gz RLWDYQCFFBXVER-IBGZPJMESA-N 1 0 323.440 3.001 10 0 DGAERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1F ZINC000248074802 432265651 /nfs/dbraw/zinc/26/56/51/432265651.db2.gz QXYKSPLMALGTPP-MSOLQXFVSA-N 1 0 312.388 3.309 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1c1ccccc1 ZINC000248072975 432266729 /nfs/dbraw/zinc/26/67/29/432266729.db2.gz QQKIOHTZZKOGAZ-PKOBYXMFSA-N 1 0 319.408 3.343 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(Cl)c3F)CC[C@H]21 ZINC000248118424 432268457 /nfs/dbraw/zinc/26/84/57/432268457.db2.gz NATKVTHZJMZWGE-BXUZGUMPSA-N 1 0 310.800 3.035 10 0 DGAERO C[C@H]1CC(CC[N@@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)C[C@H](C)C1 ZINC000248817338 432320000 /nfs/dbraw/zinc/32/00/00/432320000.db2.gz UPZLOENSBNWLEA-JFIYKMOQSA-N 1 0 324.509 3.320 10 0 DGAERO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248849100 432323817 /nfs/dbraw/zinc/32/38/17/432323817.db2.gz NWINFUSCWLULMQ-ZBFHGGJFSA-N 1 0 302.418 3.038 10 0 DGAERO CCCC[C@@H](CC)C[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000248883938 432325078 /nfs/dbraw/zinc/32/50/78/432325078.db2.gz PMELJYOIOSTPPL-RTBURBONSA-N 1 0 309.542 3.305 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)CCS2 ZINC000248877307 432325762 /nfs/dbraw/zinc/32/57/62/432325762.db2.gz WDXIRPZMNFEERN-APHBMKBZSA-N 1 0 307.459 3.373 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc3c(cc(F)cc3C)[nH]2)C1 ZINC000174170848 432327446 /nfs/dbraw/zinc/32/74/46/432327446.db2.gz DVKZHNNQBDSODH-AWEZNQCLSA-N 1 0 317.408 3.172 10 0 DGAERO CCn1cc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000248928046 432329354 /nfs/dbraw/zinc/32/93/54/432329354.db2.gz XLGXKHASMONYAY-JTDSTZFVSA-N 1 0 312.461 3.074 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1F ZINC000174198560 432329562 /nfs/dbraw/zinc/32/95/62/432329562.db2.gz RLSODIMCJLKPFD-OCCSQVGLSA-N 1 0 320.387 3.018 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3occc32)C12CCOCC2 ZINC000248920731 432329961 /nfs/dbraw/zinc/32/99/61/432329961.db2.gz FAJAOZDDYVESPT-USXIJHARSA-N 1 0 305.418 3.221 10 0 DGAERO COc1ccc(Cl)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000192075938 432330067 /nfs/dbraw/zinc/33/00/67/432330067.db2.gz LJCWZQAJKIVPLP-RHSMWYFYSA-N 1 0 309.837 3.476 10 0 DGAERO CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000174233081 432331387 /nfs/dbraw/zinc/33/13/87/432331387.db2.gz MKAATHQJRCDABH-ROUUACIJSA-N 1 0 317.477 3.133 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2ncccc21 ZINC000249735674 432355351 /nfs/dbraw/zinc/35/53/51/432355351.db2.gz FIAYYWOHZWDBOM-CABCVRRESA-N 1 0 311.429 3.085 10 0 DGAERO CSCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000174284238 432335234 /nfs/dbraw/zinc/33/52/34/432335234.db2.gz ZGCHUWQFEUXIDJ-IUODEOHRSA-N 1 0 324.465 3.243 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C12CCOCC2 ZINC000249064405 432336869 /nfs/dbraw/zinc/33/68/69/432336869.db2.gz ZDNIMKXVWMZJHO-LFVTVUPYSA-N 1 0 319.445 3.467 10 0 DGAERO FC(F)c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000183952628 432339144 /nfs/dbraw/zinc/33/91/44/432339144.db2.gz QZKBNEOTUCVUMT-QGZVFWFLSA-N 1 0 324.415 3.311 10 0 DGAERO c1nc(CN2CC[C@@H](Oc3cccnc3)C2)oc1-c1ccccc1 ZINC000152541222 432339754 /nfs/dbraw/zinc/33/97/54/432339754.db2.gz PNVTZZSRHZIQEI-QGZVFWFLSA-N 1 0 321.380 3.390 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249184329 432340778 /nfs/dbraw/zinc/34/07/78/432340778.db2.gz JXHYDHQOVUYJIW-IEZWGBDMSA-N 1 0 324.472 3.489 10 0 DGAERO CCOC1CC(CC[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000249141366 432341633 /nfs/dbraw/zinc/34/16/33/432341633.db2.gz WGEFDBPNAIQJBA-SGZDXZSOSA-N 1 0 316.489 3.302 10 0 DGAERO CSC[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000249196110 432341937 /nfs/dbraw/zinc/34/19/37/432341937.db2.gz BRSIGOAGTYWLLF-RCCFBDPRSA-N 1 0 323.502 3.079 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249289320 432344245 /nfs/dbraw/zinc/34/42/45/432344245.db2.gz JXJAOTOLDMSIQK-WNHJNPCNSA-N 1 0 314.473 3.448 10 0 DGAERO C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000249355449 432345526 /nfs/dbraw/zinc/34/55/26/432345526.db2.gz LBBSVLHZOMPEFF-LPHOPBHVSA-N 1 0 320.452 3.464 10 0 DGAERO CN1CC[C@@H]([NH2+]Cc2ccc(F)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000249460607 432348654 /nfs/dbraw/zinc/34/86/54/432348654.db2.gz OUJWCRXPZDJLTN-NVXWUHKLSA-N 1 0 319.811 3.409 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCc2cocn2)C1 ZINC000192287495 432354488 /nfs/dbraw/zinc/35/44/88/432354488.db2.gz OKYNBGRGBMBCMF-HOTGVXAUSA-N 1 0 313.445 3.442 10 0 DGAERO O=C(NCCC1=CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000152113637 432304877 /nfs/dbraw/zinc/30/48/77/432304877.db2.gz VPWZTQCUHJUOER-UHFFFAOYSA-N 1 0 305.466 3.004 10 0 DGAERO c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173906193 432305843 /nfs/dbraw/zinc/30/58/43/432305843.db2.gz KVWFRCURSFUUSN-HXUWFJFHSA-N 1 0 324.468 3.179 10 0 DGAERO C[C@@H](CCc1ccccc1F)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173888808 432307303 /nfs/dbraw/zinc/30/73/03/432307303.db2.gz XEDXGSPUJCFPIJ-DOTOQJQBSA-N 1 0 318.436 3.091 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@@H](c3ccccc3)C1(C)C)CC2 ZINC000248634274 432308091 /nfs/dbraw/zinc/30/80/91/432308091.db2.gz JLNMHLBBABNSIH-IKGGRYGDSA-N 1 0 324.472 3.327 10 0 DGAERO CCOC(=O)CCCCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173937765 432308972 /nfs/dbraw/zinc/30/89/72/432308972.db2.gz YYWGAJNVZOUWAU-SJORKVTESA-N 1 0 310.482 3.057 10 0 DGAERO Cc1c([C@@H](C)[NH2+]Cc2ccnn2C)cnn1-c1cc(C)ccc1C ZINC000152174893 432309443 /nfs/dbraw/zinc/30/94/43/432309443.db2.gz DGNGFLYTSRTZSO-OAHLLOKOSA-N 1 0 323.444 3.382 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174535044 432354756 /nfs/dbraw/zinc/35/47/56/432354756.db2.gz DCCNEZJZWBTQHX-MJGOQNOKSA-N 1 0 314.473 3.200 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000248649804 432310013 /nfs/dbraw/zinc/31/00/13/432310013.db2.gz LHOGHLUVEWTWBA-SUMWQHHRSA-N 1 0 314.433 3.362 10 0 DGAERO COC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248655177 432311412 /nfs/dbraw/zinc/31/14/12/432311412.db2.gz BGCAPIPDAKTLEO-IKGGRYGDSA-N 1 0 308.853 3.244 10 0 DGAERO COC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248655180 432311670 /nfs/dbraw/zinc/31/16/70/432311670.db2.gz BGCAPIPDAKTLEO-ULQDDVLXSA-N 1 0 308.853 3.244 10 0 DGAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191885139 432311744 /nfs/dbraw/zinc/31/17/44/432311744.db2.gz VOBYHHWPTPOIOE-KURKYZTESA-N 1 0 305.462 3.163 10 0 DGAERO CC(C)c1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)n1C ZINC000191889299 432312223 /nfs/dbraw/zinc/31/22/23/432312223.db2.gz LBKKSGUPRRGNJT-IRXDYDNUSA-N 1 0 312.461 3.440 10 0 DGAERO Cc1ccc(N2CC[C@H](Nc3ccc4c(c3)C[N@H+](C)C4)C2=O)cc1 ZINC000173990144 432312439 /nfs/dbraw/zinc/31/24/39/432312439.db2.gz RYUULNJQONAGDG-IBGZPJMESA-N 1 0 321.424 3.158 10 0 DGAERO O=C(N[C@H]1CCCc2sccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248735678 432313971 /nfs/dbraw/zinc/31/39/71/432313971.db2.gz PTVMSBOQEMUAJY-ZFWWWQNUSA-N 1 0 319.474 3.005 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000174002919 432314554 /nfs/dbraw/zinc/31/45/54/432314554.db2.gz XOTNTXHFBKNHGE-WDEREUQCSA-N 1 0 315.870 3.026 10 0 DGAERO c1nc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)co1 ZINC000191948571 432315800 /nfs/dbraw/zinc/31/58/00/432315800.db2.gz QQZADIKSNHPRNZ-GFCCVEGCSA-N 1 0 303.431 3.390 10 0 DGAERO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000252321437 432374530 /nfs/dbraw/zinc/37/45/30/432374530.db2.gz AONZPJLXLIMXMD-CHWSQXEVSA-N 1 0 306.360 3.030 10 0 DGAERO COC(=O)C1CCC([NH2+]C[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000192443852 432374652 /nfs/dbraw/zinc/37/46/52/432374652.db2.gz NTEWPIWEYLRZCV-LKSINWNRSA-N 1 0 311.372 3.390 10 0 DGAERO COc1cccc2c1CC[C@H]([NH2+]Cc1nccn1CC(C)C)C2 ZINC000192443477 432375289 /nfs/dbraw/zinc/37/52/89/432375289.db2.gz LJGCMMBPZQYOJC-INIZCTEOSA-N 1 0 313.445 3.195 10 0 DGAERO COC(=O)C1CCC([NH2+]CCCCOCc2ccccc2)CC1 ZINC000192441082 432375454 /nfs/dbraw/zinc/37/54/54/432375454.db2.gz KZQNTCNVNGYUGX-UHFFFAOYSA-N 1 0 319.445 3.305 10 0 DGAERO Cc1nc(CC(C)C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000153035924 432379194 /nfs/dbraw/zinc/37/91/94/432379194.db2.gz OUIOGYMEGDXHHR-TZMCWYRMSA-N 1 0 323.506 3.205 10 0 DGAERO CC(C)CCOc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000174981175 432384926 /nfs/dbraw/zinc/38/49/26/432384926.db2.gz ZGQFTBNIFGXQJC-MRXNPFEDSA-N 1 0 319.449 3.279 10 0 DGAERO CC1(C)CCC[C@@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000174980688 432385494 /nfs/dbraw/zinc/38/54/94/432385494.db2.gz OXJAEDLUUFCXKV-INIZCTEOSA-N 1 0 307.482 3.083 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1cccs1 ZINC000174993444 432386558 /nfs/dbraw/zinc/38/65/58/432386558.db2.gz KSSFKDSVUCLXCF-LSDHHAIUSA-N 1 0 306.475 3.156 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000192555062 432386852 /nfs/dbraw/zinc/38/68/52/432386852.db2.gz DSWOVUDYIJLYSQ-BLLLJJGKSA-N 1 0 304.365 3.038 10 0 DGAERO COc1cccc2cc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)oc21 ZINC000252737923 432388717 /nfs/dbraw/zinc/38/87/17/432388717.db2.gz DHORABQZIQJBRO-IDFMNXDXSA-N 1 0 309.431 3.249 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2cccs2)o1 ZINC000175055182 432392806 /nfs/dbraw/zinc/39/28/06/432392806.db2.gz XBURMJFSFYDBML-UONOGXRCSA-N 1 0 317.458 3.462 10 0 DGAERO CC(C)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000184472490 432395159 /nfs/dbraw/zinc/39/51/59/432395159.db2.gz MIHRVFRLPIIXQF-AWEZNQCLSA-N 1 0 305.397 3.261 10 0 DGAERO O=C(CC[N@H+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1 ZINC000192633896 432395631 /nfs/dbraw/zinc/39/56/31/432395631.db2.gz MDFKRGYCIANJJP-GFCCVEGCSA-N 1 0 300.324 3.290 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@H]2CCCNc3ccccc32)cn1 ZINC000192654356 432396728 /nfs/dbraw/zinc/39/67/28/432396728.db2.gz WOZSOIGHRJLTMH-SFHVURJKSA-N 1 0 319.412 3.304 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(SC)cc2OC)C1 ZINC000192650523 432396842 /nfs/dbraw/zinc/39/68/42/432396842.db2.gz TXXQQFBPASZMPS-GFCCVEGCSA-N 1 0 323.462 3.023 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H](C)c1ccccc1F ZINC000253548830 432398917 /nfs/dbraw/zinc/39/89/17/432398917.db2.gz KMSFBHMGQZSTSX-ARFHVFGLSA-N 1 0 318.436 3.405 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000184529865 432401454 /nfs/dbraw/zinc/40/14/54/432401454.db2.gz ODLDULALDYLRLR-IUODEOHRSA-N 1 0 312.404 3.366 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192712158 432402791 /nfs/dbraw/zinc/40/27/91/432402791.db2.gz OEFXUNBGXKJWKL-MSOLQXFVSA-N 1 0 312.413 3.265 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000175152832 432404176 /nfs/dbraw/zinc/40/41/76/432404176.db2.gz HBWDYLFZJLJRFJ-HOCLYGCPSA-N 1 0 319.449 3.420 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000175157634 432404209 /nfs/dbraw/zinc/40/42/09/432404209.db2.gz XEQHIDSDZNMNJF-CMPLNLGQSA-N 1 0 313.804 3.426 10 0 DGAERO Fc1cccc(-c2cnc(CN3CC[C@H]([NH+]4CCCC4)C3)o2)c1 ZINC000175161915 432406565 /nfs/dbraw/zinc/40/65/65/432406565.db2.gz ZJTHSHUNTIKUAH-INIZCTEOSA-N 1 0 315.392 3.151 10 0 DGAERO CCC1(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CCCCC1 ZINC000184110168 432356969 /nfs/dbraw/zinc/35/69/69/432356969.db2.gz ZLNJLOVFEOOVQO-INIZCTEOSA-N 1 0 322.493 3.059 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2nc(N(C)C)no2)o1 ZINC000192734779 432406563 /nfs/dbraw/zinc/40/65/63/432406563.db2.gz XZEIRENMZQLVEI-YPMHNXCESA-N 1 0 304.394 3.010 10 0 DGAERO OC[C@@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1c1ccsc1 ZINC000249783970 432357859 /nfs/dbraw/zinc/35/78/59/432357859.db2.gz DFZVCSNEMRSBNP-JKSUJKDBSA-N 1 0 305.418 3.138 10 0 DGAERO Cc1ccc(C(=O)NCc2cccnc2N(C)C)c(Cl)c1 ZINC000192314963 432359154 /nfs/dbraw/zinc/35/91/54/432359154.db2.gz GUFRDRYWZGDJHV-UHFFFAOYSA-N 1 0 303.793 3.039 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000174614185 432360429 /nfs/dbraw/zinc/36/04/29/432360429.db2.gz PRADTQMDYFGECN-OAGGEKHMSA-N 1 0 319.449 3.247 10 0 DGAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192352248 432363402 /nfs/dbraw/zinc/36/34/02/432363402.db2.gz UDGVJNCUOMISCW-JKIFEVAISA-N 1 0 316.445 3.149 10 0 DGAERO C[C@@]1(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CCC[N@@H+]1Cc1ccccc1 ZINC000250101348 432364169 /nfs/dbraw/zinc/36/41/69/432364169.db2.gz RLNUESOIAPCCSS-XFKSJGNHSA-N 1 0 312.457 3.203 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)NC1CCCCC1 ZINC000192361997 432365950 /nfs/dbraw/zinc/36/59/50/432365950.db2.gz IASFNXKGHDLKGX-SUMWQHHRSA-N 1 0 316.445 3.197 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000174746686 432369268 /nfs/dbraw/zinc/36/92/68/432369268.db2.gz UKJCKORSRSPFQV-IRXDYDNUSA-N 1 0 317.477 3.337 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2Oc2ccccc2)C1 ZINC000153673719 432432624 /nfs/dbraw/zinc/43/26/24/432432624.db2.gz STFQHIRROBNZLU-HOCLYGCPSA-N 1 0 310.397 3.223 10 0 DGAERO Fc1ccc(/C=C/CN2CC[NH2+]C[C@H]2c2cccnc2)c(F)c1 ZINC000261601696 432432687 /nfs/dbraw/zinc/43/26/87/432432687.db2.gz AFJFOVFGEPEDBN-BWDYHRDRSA-N 1 0 315.367 3.020 10 0 DGAERO COc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)ccc1Cl ZINC000261595024 432433453 /nfs/dbraw/zinc/43/34/53/432433453.db2.gz CSVCMQNYVNEQMG-GDLCADMTSA-N 1 0 308.809 3.208 10 0 DGAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000175414448 432433670 /nfs/dbraw/zinc/43/36/70/432433670.db2.gz IOLKHHLWLPUKSC-MRXNPFEDSA-N 1 0 321.509 3.473 10 0 DGAERO C[NH2+]C1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000261612001 432433696 /nfs/dbraw/zinc/43/36/96/432433696.db2.gz FCICOJHHGFMBES-UHFFFAOYSA-N 1 0 305.809 3.179 10 0 DGAERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1NCC2 ZINC000261620712 432435167 /nfs/dbraw/zinc/43/51/67/432435167.db2.gz BTKLVDHVMNPALG-AYHJJNSGSA-N 1 0 322.456 3.299 10 0 DGAERO [NH3+][C@@H]1CN(Cc2ccccc2OCC2CC2)C[C@H]1c1ccccc1 ZINC000261658724 432438812 /nfs/dbraw/zinc/43/88/12/432438812.db2.gz HZOSRABIPIUZLZ-VQTJNVASSA-N 1 0 322.452 3.402 10 0 DGAERO CCCCOc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(Cl)c1 ZINC000184857431 432439129 /nfs/dbraw/zinc/43/91/29/432439129.db2.gz NSTBFCNJOIHXBT-ZDUSSCGKSA-N 1 0 324.852 3.295 10 0 DGAERO c1cc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)cc2c1OCC2 ZINC000261677397 432440261 /nfs/dbraw/zinc/44/02/61/432440261.db2.gz ABFNFUBSOOBIOH-DFBGVHRSSA-N 1 0 311.385 3.265 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1c(F)cccc1Cl ZINC000261735999 432445558 /nfs/dbraw/zinc/44/55/58/432445558.db2.gz YSTQNQKDGRIURL-XRMLZUONSA-N 1 0 324.827 3.044 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000184931484 432446105 /nfs/dbraw/zinc/44/61/05/432446105.db2.gz KOFFRNQPFXCJDJ-BZSNNMDCSA-N 1 0 300.446 3.232 10 0 DGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1C(C)C ZINC000184952306 432449255 /nfs/dbraw/zinc/44/92/55/432449255.db2.gz GQDFWFVZJXNZIQ-ZWKOTPCHSA-N 1 0 302.462 3.437 10 0 DGAERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1sccc1Cl ZINC000193096068 432449402 /nfs/dbraw/zinc/44/94/02/432449402.db2.gz ZNUOEMRXOQZSHI-CQSZACIVSA-N 1 0 322.861 3.191 10 0 DGAERO C[NH2+]C1CCN([C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000261807935 432452920 /nfs/dbraw/zinc/45/29/20/432452920.db2.gz ZJVZDVIHNFBQSK-LLVKDONJSA-N 1 0 302.340 3.330 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000184985395 432453017 /nfs/dbraw/zinc/45/30/17/432453017.db2.gz CUSSNDOHSYUQQP-ROUUACIJSA-N 1 0 300.446 3.191 10 0 DGAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cc(F)cc(F)c1 ZINC000261826402 432453294 /nfs/dbraw/zinc/45/32/94/432453294.db2.gz YKKGMGCLVMCRAS-QGZVFWFLSA-N 1 0 318.367 3.120 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)on2)cn1 ZINC000184990197 432453792 /nfs/dbraw/zinc/45/37/92/432453792.db2.gz YDAIEDSGOZULNR-OAHLLOKOSA-N 1 0 308.385 3.065 10 0 DGAERO C[NH2+][C@H](C)Cc1noc(-c2csc(-c3ccc(C)cc3)n2)n1 ZINC000261842728 432454913 /nfs/dbraw/zinc/45/49/13/432454913.db2.gz SDRIFLQYNCAIPL-LLVKDONJSA-N 1 0 314.414 3.319 10 0 DGAERO Cn1cc(-c2cc(C[N@H+](C)[C@@H]3CCc4ccccc4C3)on2)cn1 ZINC000185005146 432456024 /nfs/dbraw/zinc/45/60/24/432456024.db2.gz QVCJWYONKURONU-QGZVFWFLSA-N 1 0 322.412 3.064 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1cccc2cccnc21 ZINC000261859591 432456102 /nfs/dbraw/zinc/45/61/02/432456102.db2.gz ZDGZXBVOPOEBOF-UHFFFAOYSA-N 1 0 305.425 3.238 10 0 DGAERO Cn1cc(-c2cc(C[N@H+](C)[C@H]3CCc4ccccc4C3)on2)cn1 ZINC000185005168 432456359 /nfs/dbraw/zinc/45/63/59/432456359.db2.gz QVCJWYONKURONU-KRWDZBQOSA-N 1 0 322.412 3.064 10 0 DGAERO Cc1ccc([C@H]2CCCN2C(=O)CC[C@H]2CC[NH2+]C2)cc1C ZINC000261869249 432456776 /nfs/dbraw/zinc/45/67/76/432456776.db2.gz QJTCYNSSCOMPRM-FUHWJXTLSA-N 1 0 300.446 3.357 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)Cc1ccccc1)c1ccsc1 ZINC000193216045 432457430 /nfs/dbraw/zinc/45/74/30/432457430.db2.gz VKBGLGQOABWKOB-QGZVFWFLSA-N 1 0 316.470 3.490 10 0 DGAERO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000193218928 432458295 /nfs/dbraw/zinc/45/82/95/432458295.db2.gz PHNGARAXYQZUHL-QWHCGFSZSA-N 1 0 318.442 3.112 10 0 DGAERO CC(=O)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC2)cc1Cl ZINC000184623645 432412482 /nfs/dbraw/zinc/41/24/82/432412482.db2.gz NEXDCEOAGDUDFH-UHFFFAOYSA-N 1 0 323.824 3.101 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000175233481 432414011 /nfs/dbraw/zinc/41/40/11/432414011.db2.gz LTXJSYKBNXTMNC-XJKSGUPXSA-N 1 0 315.392 3.149 10 0 DGAERO C[C@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261898195 432458757 /nfs/dbraw/zinc/45/87/57/432458757.db2.gz GIUOEWKZDLNJHE-AJSFGMTHSA-N 1 0 304.409 3.061 10 0 DGAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(C)s1 ZINC000192810279 432416302 /nfs/dbraw/zinc/41/63/02/432416302.db2.gz SRGMIMTXNUBKOJ-UKRRQHHQSA-N 1 0 316.474 3.475 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1F)CC2 ZINC000184657214 432417193 /nfs/dbraw/zinc/41/71/93/432417193.db2.gz ZNJUKCHUFNAYGS-MNOVXSKESA-N 1 0 322.815 3.299 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000153531349 432417437 /nfs/dbraw/zinc/41/74/37/432417437.db2.gz AGIBBRDATWYWBP-UKRRQHHQSA-N 1 0 324.490 3.253 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000192813344 432419586 /nfs/dbraw/zinc/41/95/86/432419586.db2.gz RIDIRSZSKYRILT-MAUKXSAKSA-N 1 0 310.445 3.359 10 0 DGAERO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000192852055 432421973 /nfs/dbraw/zinc/42/19/73/432421973.db2.gz MJJNMVYPVNYRDG-BPIHKTFHSA-N 1 0 324.472 3.266 10 0 DGAERO Cn1ccnc1C[C@H]1CCC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000184699762 432422000 /nfs/dbraw/zinc/42/20/00/432422000.db2.gz LUQJZCUWSMBBRU-LLVKDONJSA-N 1 0 324.683 3.435 10 0 DGAERO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccs2)c1 ZINC000192866127 432424624 /nfs/dbraw/zinc/42/46/24/432424624.db2.gz OEKIVDPINWNMGM-CYBMUJFWSA-N 1 0 318.442 3.066 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000185156607 432471147 /nfs/dbraw/zinc/47/11/47/432471147.db2.gz QQNYILUUCQFAHD-IRXDYDNUSA-N 1 0 306.425 3.008 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3scnc3c2)CC[N@@H+]1C ZINC000175872868 432472980 /nfs/dbraw/zinc/47/29/80/432472980.db2.gz UUEONIBJEGEAAM-AAEUAGOBSA-N 1 0 318.446 3.243 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000175885666 432474016 /nfs/dbraw/zinc/47/40/16/432474016.db2.gz NDOIWLSJMWKTMU-QWHCGFSZSA-N 1 0 300.406 3.114 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3csc(-c4ccccc4)n3)C[C@H]21 ZINC000262289271 432479926 /nfs/dbraw/zinc/47/99/26/432479926.db2.gz NAHWMJVZFHGNAJ-USXIJHARSA-N 1 0 313.470 3.369 10 0 DGAERO CCC1(CC)C[N@H+](CCCc2cccc(F)c2)CC[S@@]1=O ZINC000185232796 432480832 /nfs/dbraw/zinc/48/08/32/432480832.db2.gz MQWAVGMSKKDGHS-NRFANRHFSA-N 1 0 311.466 3.381 10 0 DGAERO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC(C)(C)C)CC1 ZINC000175978327 432483881 /nfs/dbraw/zinc/48/38/81/432483881.db2.gz ZRVYGRXBYQZBSR-UHFFFAOYSA-N 1 0 317.477 3.339 10 0 DGAERO Cc1cccc2c(NC[C@@H](O)COCC(C)C)c(C)c[nH+]c12 ZINC000185276018 432485418 /nfs/dbraw/zinc/48/54/18/432485418.db2.gz LIJHPLNYGIYHOX-OAHLLOKOSA-N 1 0 302.418 3.297 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262449592 432485841 /nfs/dbraw/zinc/48/58/41/432485841.db2.gz FFYHEJKNKYYLKI-FTWQHDNSSA-N 1 0 312.457 3.312 10 0 DGAERO CSc1ccccc1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262450235 432485909 /nfs/dbraw/zinc/48/59/09/432485909.db2.gz VUWMESYMFJZDKF-UHFFFAOYSA-N 1 0 314.454 3.052 10 0 DGAERO C[C@H]1CC[C@H](C)N(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000176016420 432487068 /nfs/dbraw/zinc/48/70/68/432487068.db2.gz PJBKYYDIJMJIDK-HOTGVXAUSA-N 1 0 321.509 3.471 10 0 DGAERO CC(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(C)o2)c1 ZINC000193634492 432487149 /nfs/dbraw/zinc/48/71/49/432487149.db2.gz SSTWUZHUTIZEIF-LBPRGKRZSA-N 1 0 300.358 3.080 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1cc2c(s1)CCOC2 ZINC000262476616 432487637 /nfs/dbraw/zinc/48/76/37/432487637.db2.gz OBOHMUSMRGPKET-UHFFFAOYSA-N 1 0 316.426 3.183 10 0 DGAERO CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000262544633 432489443 /nfs/dbraw/zinc/48/94/43/432489443.db2.gz RQCSLNMTNZSYQH-CYBMUJFWSA-N 1 0 315.339 3.311 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000262527152 432490011 /nfs/dbraw/zinc/49/00/11/432490011.db2.gz PAFXDBWQUCIPLH-ZDUSSCGKSA-N 1 0 314.351 3.100 10 0 DGAERO C[C@@H](NCc1nnc(C2CC2)n1C)c1ccc2c(c1)CCCC2 ZINC000154324379 432491666 /nfs/dbraw/zinc/49/16/66/432491666.db2.gz RKFSNMGHCNYPEV-CYBMUJFWSA-N 1 0 310.445 3.422 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262624191 432494491 /nfs/dbraw/zinc/49/44/91/432494491.db2.gz KEKZVUXWCJIGEF-KGLIPLIRSA-N 1 0 319.474 3.076 10 0 DGAERO CSc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000176115161 432494759 /nfs/dbraw/zinc/49/47/59/432494759.db2.gz BOXWQMGNJBHMSJ-LLVKDONJSA-N 1 0 313.854 3.230 10 0 DGAERO O=C(CCc1c[nH]cn1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000193759505 432497022 /nfs/dbraw/zinc/49/70/22/432497022.db2.gz QRPMSZGUWJPFDY-CQSZACIVSA-N 1 0 319.792 3.026 10 0 DGAERO CSc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000193814870 432501256 /nfs/dbraw/zinc/50/12/56/432501256.db2.gz JTFHSEKFJZPFDQ-CQSZACIVSA-N 1 0 321.490 3.082 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCN2C)ccc1OC(F)F ZINC000154542089 432506531 /nfs/dbraw/zinc/50/65/31/432506531.db2.gz IGPBRJMPQYHAMN-AAEUAGOBSA-N 1 0 314.376 3.041 10 0 DGAERO COC(=O)c1sccc1CN(C)CCc1ccc(F)cc1 ZINC000154571641 432507557 /nfs/dbraw/zinc/50/75/57/432507557.db2.gz RYNNJGGXYMDDMT-UHFFFAOYSA-N 1 0 307.390 3.348 10 0 DGAERO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154591069 432508463 /nfs/dbraw/zinc/50/84/63/432508463.db2.gz IAGHBKOKLPXAHZ-DOMZBBRYSA-N 1 0 316.474 3.258 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)[C@H](C)c1ccccc1 ZINC000185057326 432460237 /nfs/dbraw/zinc/46/02/37/432460237.db2.gz IBUXYCYOCQCSIA-UONOGXRCSA-N 1 0 310.401 3.357 10 0 DGAERO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185044404 432460435 /nfs/dbraw/zinc/46/04/35/432460435.db2.gz GLERMWZQRPBOAU-KRWDZBQOSA-N 1 0 311.389 3.053 10 0 DGAERO c1ccc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261920689 432461981 /nfs/dbraw/zinc/46/19/81/432461981.db2.gz KGTJTOAGXUWJLU-VAMGGRTRSA-N 1 0 310.441 3.087 10 0 DGAERO Cc1cccc([C@@H](C)[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1 ZINC000154023910 432464151 /nfs/dbraw/zinc/46/41/51/432464151.db2.gz AMASQFNSCCIHPR-QUCCMNQESA-N 1 0 315.505 3.158 10 0 DGAERO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000262005658 432467340 /nfs/dbraw/zinc/46/73/40/432467340.db2.gz UZZGLSLMTPFSND-IPMKNSEASA-N 1 0 316.489 3.019 10 0 DGAERO Fc1cccc(Cl)c1C[C@@H]1CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000262033389 432470559 /nfs/dbraw/zinc/47/05/59/432470559.db2.gz XKFZPPRTPRTVPE-KGLIPLIRSA-N 1 0 310.844 3.486 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000185577226 432512208 /nfs/dbraw/zinc/51/22/08/432512208.db2.gz ZZBCGEKHDXPEMS-CQSZACIVSA-N 1 0 300.402 3.155 10 0 DGAERO CCC(C)(CC)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194431154 432551178 /nfs/dbraw/zinc/55/11/78/432551178.db2.gz NIIILIJLJLDAKI-KRWDZBQOSA-N 1 0 317.477 3.386 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000155419182 432553633 /nfs/dbraw/zinc/55/36/33/432553633.db2.gz QLGAEOFISWBQKW-AEFFLSMTSA-N 1 0 316.445 3.249 10 0 DGAERO Fc1ccc(-c2ccc(CN[C@@H]3CCCn4ncnc43)o2)cc1 ZINC000176800715 432554106 /nfs/dbraw/zinc/55/41/06/432554106.db2.gz GQIKDPHETWNOIV-OAHLLOKOSA-N 1 0 312.348 3.302 10 0 DGAERO C[C@@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@@H]1C ZINC000176815213 432554985 /nfs/dbraw/zinc/55/49/85/432554985.db2.gz ZYKVRTXYRHSMBG-ZIAGYGMSSA-N 1 0 321.440 3.217 10 0 DGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000155502713 432556967 /nfs/dbraw/zinc/55/69/67/432556967.db2.gz NDOKLDILZBLQPF-KBPBESRZSA-N 1 0 304.434 3.029 10 0 DGAERO Cc1ccc2cccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)c2n1 ZINC000155571227 432562456 /nfs/dbraw/zinc/56/24/56/432562456.db2.gz ZLOGOQDZICJQHT-GUYCJALGSA-N 1 0 311.429 3.002 10 0 DGAERO O=C1CCCN1CCC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000194616512 432563209 /nfs/dbraw/zinc/56/32/09/432563209.db2.gz TVICTGVQFZMGPE-UHFFFAOYSA-N 1 0 322.452 3.421 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000176363909 432514825 /nfs/dbraw/zinc/51/48/25/432514825.db2.gz SXEYAALNDCNFEB-LLVKDONJSA-N 1 0 315.339 3.052 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000176371708 432517005 /nfs/dbraw/zinc/51/70/05/432517005.db2.gz MVEQXUNNVKXELX-INIZCTEOSA-N 1 0 314.433 3.126 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000278745701 288362880 /nfs/dbraw/zinc/36/28/80/288362880.db2.gz WWOAASYCVZFVMH-ONERCXAPSA-N 1 0 310.235 3.451 10 0 DGAERO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000154776066 432519839 /nfs/dbraw/zinc/51/98/39/432519839.db2.gz KUKVSCCPTYSITG-GJZGRUSLSA-N 1 0 313.445 3.438 10 0 DGAERO CC(=O)c1cccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000185665509 432522510 /nfs/dbraw/zinc/52/25/10/432522510.db2.gz QMOHNWHEMBWJMS-AWEZNQCLSA-N 1 0 317.433 3.275 10 0 DGAERO Cc1[nH]c2ccc(CNC(=O)CCC3CC[NH2+]CC3)cc2c1C ZINC000263168281 432524186 /nfs/dbraw/zinc/52/41/86/432524186.db2.gz FMBKVMWILNCABS-UHFFFAOYSA-N 1 0 313.445 3.181 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(C)oc3ccccc32)C1 ZINC000185719649 432527397 /nfs/dbraw/zinc/52/73/97/432527397.db2.gz BDQLVAAPNZVZLT-CQSZACIVSA-N 1 0 300.402 3.298 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1c2ccccc2C[C@@H]1C ZINC000194195044 432531563 /nfs/dbraw/zinc/53/15/63/432531563.db2.gz HNQSLJUDQRCQKT-HOCLYGCPSA-N 1 0 303.450 3.124 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1c2ccccc2C[C@H]1C ZINC000194195031 432531989 /nfs/dbraw/zinc/53/19/89/432531989.db2.gz HNQSLJUDQRCQKT-ZBFHGGJFSA-N 1 0 303.450 3.124 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000154961486 432532574 /nfs/dbraw/zinc/53/25/74/432532574.db2.gz SGLNPDRDVIVXSM-VHSXEESVSA-N 1 0 307.385 3.076 10 0 DGAERO CCC[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000155074623 432537389 /nfs/dbraw/zinc/53/73/89/432537389.db2.gz OTWGDIINOSUZRX-MSOLQXFVSA-N 1 0 302.462 3.198 10 0 DGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000194308068 432539404 /nfs/dbraw/zinc/53/94/04/432539404.db2.gz FMJGEELOLOEIDG-AWEZNQCLSA-N 1 0 314.433 3.267 10 0 DGAERO C[C@H](NC(=O)Nc1ccc2cc[nH]c2c1)C(C)(C)C[NH+](C)C ZINC000194338745 432542551 /nfs/dbraw/zinc/54/25/51/432542551.db2.gz WGELUBGXUYQOGU-LBPRGKRZSA-N 1 0 302.422 3.266 10 0 DGAERO Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(F)c1 ZINC000176713975 432546583 /nfs/dbraw/zinc/54/65/83/432546583.db2.gz MKFFFTCKXFBWSW-UHFFFAOYSA-N 1 0 318.367 3.265 10 0 DGAERO COc1cccc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1 ZINC000177283524 432607679 /nfs/dbraw/zinc/60/76/79/432607679.db2.gz YJOJPOOXRIPTTI-ZDUSSCGKSA-N 1 0 303.406 3.485 10 0 DGAERO COc1cccc([C@H](C)CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000177298272 432608459 /nfs/dbraw/zinc/60/84/59/432608459.db2.gz JJVNFXCTYPDPQS-HLLBOEOZSA-N 1 0 318.461 3.130 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2ccc(Br)cc2)n1 ZINC000177302290 432609694 /nfs/dbraw/zinc/60/96/94/432609694.db2.gz NMLPTMOVOSGUJR-SECBINFHSA-N 1 0 310.195 3.034 10 0 DGAERO Cc1cc(NC2CC[NH+](CC3CC3)CC2)nc(-c2ccncc2)n1 ZINC000195303663 432616613 /nfs/dbraw/zinc/61/66/13/432616613.db2.gz WBLRGIXJUKGCMZ-UHFFFAOYSA-N 1 0 323.444 3.133 10 0 DGAERO OCCC1(C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000186175270 432565522 /nfs/dbraw/zinc/56/55/22/432565522.db2.gz GSTJRHMPPCKHFN-UHFFFAOYSA-N 1 0 318.642 3.355 10 0 DGAERO CC(C)(C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccccc1F ZINC000155679526 432567739 /nfs/dbraw/zinc/56/77/39/432567739.db2.gz CQEDCFHJNVSRFT-MRXNPFEDSA-N 1 0 306.425 3.127 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(SC(C)C)cc2)C1 ZINC000194664241 432568056 /nfs/dbraw/zinc/56/80/56/432568056.db2.gz BLTQZIWWOFDIEI-OAHLLOKOSA-N 1 0 306.475 3.401 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C12CCOCC2 ZINC000186199459 432568582 /nfs/dbraw/zinc/56/85/82/432568582.db2.gz XMWVGXWLMCOVBP-MSOLQXFVSA-N 1 0 303.446 3.183 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc(Cl)cc1Cl ZINC000194707426 432570279 /nfs/dbraw/zinc/57/02/79/432570279.db2.gz XMCYCOKYIDLQJH-ZDUSSCGKSA-N 1 0 315.244 3.136 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC(C)(C)c2ccccc2)C1 ZINC000155780161 432573084 /nfs/dbraw/zinc/57/30/84/432573084.db2.gz VEDHKOVDDRCNOO-WBVHZDCISA-N 1 0 302.462 3.199 10 0 DGAERO CSCc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1F ZINC000155762976 432574116 /nfs/dbraw/zinc/57/41/16/432574116.db2.gz CDBDVXHFXVWJRV-LRDDRELGSA-N 1 0 324.465 3.147 10 0 DGAERO Cc1nc(Cl)ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000194691183 281910951 /nfs/dbraw/zinc/91/09/51/281910951.db2.gz HAMJPJLPYPJJFV-CYBMUJFWSA-N 1 0 322.840 3.136 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)c1ccccc1C ZINC000177013781 432575437 /nfs/dbraw/zinc/57/54/37/432575437.db2.gz SOBRLUSFDVQLEG-INIZCTEOSA-N 1 0 302.462 3.215 10 0 DGAERO CCOc1ccccc1C[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186266660 432576087 /nfs/dbraw/zinc/57/60/87/432576087.db2.gz OSVXSSXDKVUJCL-ROUUACIJSA-N 1 0 319.445 3.149 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccnc2ccccc12 ZINC000177024615 432576814 /nfs/dbraw/zinc/57/68/14/432576814.db2.gz VQSIGBLQYGNGLW-SXSDINLZSA-N 1 0 323.440 3.191 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cc1OC ZINC000155827068 432577066 /nfs/dbraw/zinc/57/70/66/432577066.db2.gz NPSDEAXQIMEQCT-ZOBUZTSGSA-N 1 0 320.477 3.392 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)C12CCOCC2 ZINC000186294838 432578912 /nfs/dbraw/zinc/57/89/12/432578912.db2.gz ONUFEEKJFOWNNK-IAGOWNOFSA-N 1 0 323.864 3.446 10 0 DGAERO Fc1ccc2oc(CN3CCC[C@@H]3C[NH+]3CCCC3)nc2c1 ZINC000177058270 432580306 /nfs/dbraw/zinc/58/03/06/432580306.db2.gz GQEQEUYHTSAUKI-CQSZACIVSA-N 1 0 303.381 3.027 10 0 DGAERO COc1cccc2c1CCC[C@@H]2[NH2+]CCc1c(C)nn(C)c1C ZINC000194840654 432581216 /nfs/dbraw/zinc/58/12/16/432581216.db2.gz JYLFRLRNLYUAJM-SFHVURJKSA-N 1 0 313.445 3.255 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177085942 432582918 /nfs/dbraw/zinc/58/29/18/432582918.db2.gz SRRZEABOMHNWMK-WCQYABFASA-N 1 0 323.824 3.049 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000177086886 432585014 /nfs/dbraw/zinc/58/50/14/432585014.db2.gz CDRFLALEWCPPNN-AAEUAGOBSA-N 1 0 307.825 3.349 10 0 DGAERO Fc1ccc2oc(CN3CCC[N@@H+](C4CCCC4)CC3)nc2c1 ZINC000177099353 432586261 /nfs/dbraw/zinc/58/62/61/432586261.db2.gz IEXMXQGLUCOFRW-UHFFFAOYSA-N 1 0 317.408 3.417 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2cc(C)cc(C)c2)C12CCOCC2 ZINC000186353535 432586361 /nfs/dbraw/zinc/58/63/61/432586361.db2.gz YOPHLHMXMVJWMX-MOPGFXCFSA-N 1 0 317.473 3.410 10 0 DGAERO c1csc([C@H]2CN(CCSCc3ccccc3)CCO2)n1 ZINC000186420595 432593290 /nfs/dbraw/zinc/59/32/90/432593290.db2.gz CSGOZDGJDAXBPB-OAHLLOKOSA-N 1 0 320.483 3.450 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2ccoc2)n1 ZINC000177184559 432594991 /nfs/dbraw/zinc/59/49/91/432594991.db2.gz VXIXYZZGBVYGHF-HZPDHXFCSA-N 1 0 317.458 3.462 10 0 DGAERO COc1cccc(C)c1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000195045670 432596688 /nfs/dbraw/zinc/59/66/88/432596688.db2.gz MNDQYYZXYAXPTA-UHFFFAOYSA-N 1 0 319.449 3.246 10 0 DGAERO COc1ncccc1C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177207248 432597564 /nfs/dbraw/zinc/59/75/64/432597564.db2.gz SCYJNBIRGJYIJI-CQSZACIVSA-N 1 0 308.385 3.127 10 0 DGAERO O=C(CCSc1ccccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195079632 432599679 /nfs/dbraw/zinc/59/96/79/432599679.db2.gz IIBNOBQTYBBMLX-AWEZNQCLSA-N 1 0 322.449 3.005 10 0 DGAERO CC(C)(C)c1ccc(CCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195318341 432619116 /nfs/dbraw/zinc/61/91/16/432619116.db2.gz FXDWGUZNIMZDRB-GOSISDBHSA-N 1 0 314.473 3.223 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccco3)C2)c1 ZINC000157549277 432623393 /nfs/dbraw/zinc/62/33/93/432623393.db2.gz LTYMIGOXZULLIU-CABCVRRESA-N 1 0 300.402 3.465 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](CCCOC(C)C)C2)c1 ZINC000177421666 432623419 /nfs/dbraw/zinc/62/34/19/432623419.db2.gz ZFVYEGYRBYLBCE-HNNXBMFYSA-N 1 0 307.434 3.308 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccccc1CCc1ccccc1 ZINC000186717284 432626119 /nfs/dbraw/zinc/62/61/19/432626119.db2.gz PDUNBNNREWXZAD-UZLBHIALSA-N 1 0 322.452 3.200 10 0 DGAERO CCOc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)cc1 ZINC000177496591 432630990 /nfs/dbraw/zinc/63/09/90/432630990.db2.gz AEHQTXJHQISRFQ-JKSUJKDBSA-N 1 0 317.433 3.176 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)c1cccs1 ZINC000177514217 432632589 /nfs/dbraw/zinc/63/25/89/432632589.db2.gz XUBHMZZMGYFUPR-AWEZNQCLSA-N 1 0 323.506 3.151 10 0 DGAERO CC[C@@H]1[C@@H](C)C(=O)C[C@]23CC[N@H+](C)[C@H](Cc4ccc(O)cc42)[C@H]13 ZINC000209195764 432639122 /nfs/dbraw/zinc/63/91/22/432639122.db2.gz XTVOFHNAOOSFDE-UDKFGWLYSA-N 1 0 313.441 3.142 10 0 DGAERO Cc1cc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1Cl ZINC000187050299 432642470 /nfs/dbraw/zinc/64/24/70/432642470.db2.gz JLGASFGENZHVMG-ZFWWWQNUSA-N 1 0 321.852 3.027 10 0 DGAERO Cc1ccc([C@H]2CN(Cc3cnn(-c4ccccc4)c3)CCO2)o1 ZINC000159058454 432669035 /nfs/dbraw/zinc/66/90/35/432669035.db2.gz DLFVKBSYNGCKRU-LJQANCHMSA-N 1 0 323.396 3.347 10 0 DGAERO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000187132959 432648575 /nfs/dbraw/zinc/64/85/75/432648575.db2.gz BHWJWKDEFVLHQC-MRXNPFEDSA-N 1 0 317.429 3.231 10 0 DGAERO Cn1ncc(Cl)c1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000187166986 432650101 /nfs/dbraw/zinc/65/01/01/432650101.db2.gz OLCOBJFRIAOGGH-ZDUSSCGKSA-N 1 0 319.792 3.139 10 0 DGAERO CCC[C@](C)(CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000158605957 432652062 /nfs/dbraw/zinc/65/20/62/432652062.db2.gz KVSQYLHOARBQPF-CYBMUJFWSA-N 1 0 304.203 3.229 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc2cc(Cl)ccc2n1C ZINC000177697275 432652830 /nfs/dbraw/zinc/65/28/30/432652830.db2.gz FNSQBSJCFIFBMM-CQSZACIVSA-N 1 0 320.868 3.143 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)C2CCSCC2)C1 ZINC000187299158 432655311 /nfs/dbraw/zinc/65/53/11/432655311.db2.gz DRYSEEFCAHTZGZ-ZBFHGGJFSA-N 1 0 320.502 3.395 10 0 DGAERO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217850240 432656038 /nfs/dbraw/zinc/65/60/38/432656038.db2.gz BORPBPZEONEBBK-LLVKDONJSA-N 1 0 318.230 3.475 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(-n2cncn2)cc1 ZINC000158869636 432659970 /nfs/dbraw/zinc/65/99/70/432659970.db2.gz ULUULSCYUWXZIC-STQMWFEESA-N 1 0 311.364 3.213 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC000158843177 432660308 /nfs/dbraw/zinc/66/03/08/432660308.db2.gz MFUGUYPCDDSTQW-WBVHZDCISA-N 1 0 302.462 3.100 10 0 DGAERO Cc1c(C[NH2+]CC2(CCOCc3ccccc3)CC2)cnn1C ZINC000274414200 432664315 /nfs/dbraw/zinc/66/43/15/432664315.db2.gz FFIVBEBQOOZCRN-UHFFFAOYSA-N 1 0 313.445 3.205 10 0 DGAERO C[C@H](CC[NH2+]Cc1cnn(C(C)(C)C)c1)NC(=O)OC(C)(C)C ZINC000222083322 432669975 /nfs/dbraw/zinc/66/99/75/432669975.db2.gz CHFLJHSNPUQFED-CYBMUJFWSA-N 1 0 324.469 3.031 10 0 DGAERO CC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000159065817 432667959 /nfs/dbraw/zinc/66/79/59/432667959.db2.gz NFMDQBZUXFPVNW-RTBURBONSA-N 1 0 310.441 3.427 10 0 DGAERO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C1CCC1 ZINC000187483483 432668098 /nfs/dbraw/zinc/66/80/98/432668098.db2.gz OEYZANMUUUEYCT-SFHVURJKSA-N 1 0 317.477 3.337 10 0 DGAERO COC[C@@H](C)C[NH2+]CCCc1ccc(Br)cc1F ZINC000187932500 432693345 /nfs/dbraw/zinc/69/33/45/432693345.db2.gz GIAKYORTKUATCT-NSHDSACASA-N 1 0 318.230 3.393 10 0 DGAERO Cc1csc2nc(C)nc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c12 ZINC000274680978 432697182 /nfs/dbraw/zinc/69/71/82/432697182.db2.gz IICKKTWWGJLEJJ-KBPBESRZSA-N 1 0 316.474 3.229 10 0 DGAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000178124691 432697174 /nfs/dbraw/zinc/69/71/74/432697174.db2.gz RFWJRXLYLXLPSC-KGLIPLIRSA-N 1 0 309.417 3.326 10 0 DGAERO C[C@H](O)C1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000225781604 432697641 /nfs/dbraw/zinc/69/76/41/432697641.db2.gz FUIONBCGQVCFAQ-NSHDSACASA-N 1 0 308.472 3.464 10 0 DGAERO C[C@H](O)C1CCN(Cc2sccc2Br)CC1 ZINC000225784819 432697943 /nfs/dbraw/zinc/69/79/43/432697943.db2.gz IEYBRJUMPGCUDJ-VIFPVBQESA-N 1 0 304.253 3.103 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000188009306 432699225 /nfs/dbraw/zinc/69/92/25/432699225.db2.gz NIOUUFPHIBVOMV-ORAYPTAESA-N 1 0 314.429 3.142 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C2CCCC2)cc1 ZINC000188043533 432700289 /nfs/dbraw/zinc/70/02/89/432700289.db2.gz GPFRAUJQLYFUEC-IEBWSBKVSA-N 1 0 300.446 3.437 10 0 DGAERO COc1cc([C@H](C)[NH2+]CC2(CCO)CC2)ccc1OC(F)F ZINC000188044165 432700305 /nfs/dbraw/zinc/70/03/05/432700305.db2.gz PIUGWQWFMVUUSX-NSHDSACASA-N 1 0 315.360 3.110 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1cccnc1Oc1cccc(OC)c1 ZINC000188032617 432700422 /nfs/dbraw/zinc/70/04/22/432700422.db2.gz DNSXMFBTVFLASP-CQSZACIVSA-N 1 0 316.401 3.255 10 0 DGAERO Cc1c([C@@H](C)[NH2+]CC2(CCO)CC2)cnn1-c1ccc(F)cc1 ZINC000188055465 432701632 /nfs/dbraw/zinc/70/16/32/432701632.db2.gz MQMLZAFXXQCHAV-CYBMUJFWSA-N 1 0 317.408 3.133 10 0 DGAERO CCOc1ccc([C@@H](C)[NH2+]CC2(CCO)CC2)cc1OCC ZINC000188060320 432702062 /nfs/dbraw/zinc/70/20/62/432702062.db2.gz LZKKHXXKKDSVQL-CQSZACIVSA-N 1 0 307.434 3.297 10 0 DGAERO COC[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)C1CCOCC1 ZINC000188092902 432703654 /nfs/dbraw/zinc/70/36/54/432703654.db2.gz UTPYRUBNPRHPGY-PXAZEXFGSA-N 1 0 313.388 3.100 10 0 DGAERO c1ccc2nc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)ccc2c1 ZINC000265502913 432706327 /nfs/dbraw/zinc/70/63/27/432706327.db2.gz NMAMYWHEQKXHQB-HNNXBMFYSA-N 1 0 311.429 3.148 10 0 DGAERO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCSC1 ZINC000226402824 432707245 /nfs/dbraw/zinc/70/72/45/432707245.db2.gz FNQKUXGWYUFJJP-CJNGLKHVSA-N 1 0 316.511 3.269 10 0 DGAERO COc1ccc(CC[NH2+][C@H](C)c2nccnc2C)c(Cl)c1 ZINC000188149472 432707838 /nfs/dbraw/zinc/70/78/38/432707838.db2.gz ZVYLETDZCZTEGI-LLVKDONJSA-N 1 0 305.809 3.340 10 0 DGAERO COC[C@H]([NH2+]CCCc1ccc(Cl)cc1)C1CCOCC1 ZINC000188177732 432708892 /nfs/dbraw/zinc/70/88/92/432708892.db2.gz VPPIDUQNZIDREO-KRWDZBQOSA-N 1 0 311.853 3.304 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1cncc(F)c1 ZINC000178252633 432712290 /nfs/dbraw/zinc/71/22/90/432712290.db2.gz JTHFGENMUTVRCL-DYVFJYSZSA-N 1 0 313.376 3.067 10 0 DGAERO CCc1ncc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC000227760935 432714817 /nfs/dbraw/zinc/71/48/17/432714817.db2.gz JLQXKXWVXIJPKY-LLVKDONJSA-N 1 0 313.467 3.098 10 0 DGAERO C[C@@H](CCSc1ccccc1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000178283253 432715164 /nfs/dbraw/zinc/71/51/64/432715164.db2.gz AQYGXHIXCCHGKV-HNNXBMFYSA-N 1 0 320.502 3.358 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC000178325154 432720379 /nfs/dbraw/zinc/72/03/79/432720379.db2.gz YGSUTHIOKVNZCA-OAHLLOKOSA-N 1 0 321.371 3.458 10 0 DGAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C(C)C)CC2)cc1 ZINC000159146654 432672521 /nfs/dbraw/zinc/67/25/21/432672521.db2.gz IJVMUHJNLBEEAY-HNNXBMFYSA-N 1 0 318.461 3.324 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+]CCCCCOc1ccccc1 ZINC000187632892 432673263 /nfs/dbraw/zinc/67/32/63/432673263.db2.gz POTXZIWDHYZOKI-UHFFFAOYSA-N 1 0 315.461 3.418 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCOC1)c1cc(Br)ccc1F ZINC000177931719 432675654 /nfs/dbraw/zinc/67/56/54/432675654.db2.gz TZEJMARHJUGWBP-KOLCDFICSA-N 1 0 302.187 3.418 10 0 DGAERO CCC[C@H](C)[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000187702387 432678808 /nfs/dbraw/zinc/67/88/08/432678808.db2.gz UXBJMDFHMWGLOP-STQMWFEESA-N 1 0 308.388 3.298 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCOCC(F)(F)F ZINC000159360724 432680237 /nfs/dbraw/zinc/68/02/37/432680237.db2.gz IPLLVHBCRBDJKS-SNVBAGLBSA-N 1 0 307.360 3.176 10 0 DGAERO CCN(Cc1nsc(N(C)C)n1)[C@H](C)Cc1ccsc1 ZINC000187788903 432685174 /nfs/dbraw/zinc/68/51/74/432685174.db2.gz DNOPANPUQFHXHR-LLVKDONJSA-N 1 0 310.492 3.119 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1NC(C)=O ZINC000187870939 432690146 /nfs/dbraw/zinc/69/01/46/432690146.db2.gz GPHSUJVKOCRQQM-SWLSCSKDSA-N 1 0 320.433 3.262 10 0 DGAERO c1c2ccccc2oc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000178529338 432749258 /nfs/dbraw/zinc/74/92/58/432749258.db2.gz XJFMKCIPXMZRJC-UHFFFAOYSA-N 1 0 308.385 3.299 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000188892921 432750980 /nfs/dbraw/zinc/75/09/80/432750980.db2.gz PDEJOBHXAMWEPQ-UHFFFAOYSA-N 1 0 315.461 3.209 10 0 DGAERO CCc1nnc(C[N@@H+]2CCC[C@H]2CCCc2ccccc2)n1C ZINC000178556302 432751799 /nfs/dbraw/zinc/75/17/99/432751799.db2.gz KSNYMKYQTPMHFT-QGZVFWFLSA-N 1 0 312.461 3.365 10 0 DGAERO CCc1cccc(CC(=O)NCc2cn3c(cccc3C)n2)c1 ZINC000178563921 432752147 /nfs/dbraw/zinc/75/21/47/432752147.db2.gz JJNLACNUGJVVBZ-UHFFFAOYSA-N 1 0 307.397 3.064 10 0 DGAERO O[C@@H]1C[C@H](c2cc(F)ccc2F)N(c2ccncc2Cl)C1 ZINC000178559847 432752393 /nfs/dbraw/zinc/75/23/93/432752393.db2.gz WZEWILJQNGQIHY-MEBBXXQBSA-N 1 0 310.731 3.326 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)ccc1S(C)(=O)=O ZINC000178580509 432754661 /nfs/dbraw/zinc/75/46/61/432754661.db2.gz HMNDWFOAPXYHTQ-CHWSQXEVSA-N 1 0 313.463 3.041 10 0 DGAERO CCc1ccccc1CN1CCN(Cc2cnc(C)s2)CC1 ZINC000188955044 432756016 /nfs/dbraw/zinc/75/60/16/432756016.db2.gz GUYXWWZHXOBKNR-UHFFFAOYSA-N 1 0 315.486 3.332 10 0 DGAERO CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@H]1CCCc2ccccc21 ZINC000236686787 432757343 /nfs/dbraw/zinc/75/73/43/432757343.db2.gz XAZLYEYLNALCCT-VQIMIIECSA-N 1 0 302.462 3.376 10 0 DGAERO CCCCCc1nnc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000236694263 432757720 /nfs/dbraw/zinc/75/77/20/432757720.db2.gz HREGAFKFFLWOHT-AVGNSLFASA-N 1 0 322.478 3.130 10 0 DGAERO CC(C)COc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000236692185 432758459 /nfs/dbraw/zinc/75/84/59/432758459.db2.gz VYXLESQKQGNWRH-NUEKZKHPSA-N 1 0 304.434 3.026 10 0 DGAERO Cc1cc(F)ccc1-c1ccc(CN2CCCNC(=O)[C@H]2C)o1 ZINC000189079209 432761455 /nfs/dbraw/zinc/76/14/55/432761455.db2.gz LYOFTRLZGRRIKO-CYBMUJFWSA-N 1 0 316.376 3.105 10 0 DGAERO CCOc1ccc(C(=O)N2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000236953077 432773048 /nfs/dbraw/zinc/77/30/48/432773048.db2.gz INDAGNOAKFHYQM-UHFFFAOYSA-N 1 0 316.445 3.222 10 0 DGAERO COc1ccc2nc(CN3CC[C@@H](C)[C@@H](OC)C3)sc2c1 ZINC000189285464 432775404 /nfs/dbraw/zinc/77/54/04/432775404.db2.gz MBJFGWCJKZPBTI-RISCZKNCSA-N 1 0 306.431 3.162 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 ZINC000230412583 432729071 /nfs/dbraw/zinc/72/90/71/432729071.db2.gz FHEOJQWMOCTXDJ-STQMWFEESA-N 1 0 323.412 3.128 10 0 DGAERO CCc1ccccc1CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000188539775 432730293 /nfs/dbraw/zinc/73/02/93/432730293.db2.gz DVWFEZJYRRPIHX-UHFFFAOYSA-N 1 0 302.462 3.028 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000188543332 432731031 /nfs/dbraw/zinc/73/10/31/432731031.db2.gz HMKYXWAGJYQRHV-IUODEOHRSA-N 1 0 318.383 3.180 10 0 DGAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(F)cc2Cl)cn1 ZINC000275582018 432733111 /nfs/dbraw/zinc/73/31/11/432733111.db2.gz PBOOCZDLOGIPLP-JKSUJKDBSA-N 1 0 323.799 3.223 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)C(C)C ZINC000178441220 432736607 /nfs/dbraw/zinc/73/66/07/432736607.db2.gz YTBATQYVXHQXSW-QZTJIDSGSA-N 1 0 321.461 3.048 10 0 DGAERO c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCCN(c4ncccn4)C3)C2)cc1 ZINC000275655260 432737332 /nfs/dbraw/zinc/73/73/32/432737332.db2.gz AMOVMZGSWHKQEQ-GUDVDZBRSA-N 1 0 322.456 3.371 10 0 DGAERO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000233842850 432738995 /nfs/dbraw/zinc/73/89/95/432738995.db2.gz ZIKUAIIZBUQWIB-RBSFLKMASA-N 1 0 301.402 3.262 10 0 DGAERO C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000178457378 432739742 /nfs/dbraw/zinc/73/97/42/432739742.db2.gz QYCAUGHBRGEVFM-MAUKXSAKSA-N 1 0 300.446 3.203 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C2(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000188706154 432741037 /nfs/dbraw/zinc/74/10/37/432741037.db2.gz GFDLHYGCDMUJSP-ZBFHGGJFSA-N 1 0 318.436 3.090 10 0 DGAERO C[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000178472493 432741027 /nfs/dbraw/zinc/74/10/27/432741027.db2.gz QWECGFDUBADRBM-JKSUJKDBSA-N 1 0 315.461 3.222 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)CCCO2 ZINC000178494283 432743207 /nfs/dbraw/zinc/74/32/07/432743207.db2.gz VHXLUDIVGLAXFD-RDJZCZTQSA-N 1 0 316.445 3.118 10 0 DGAERO C[C@H](c1cccc(F)c1)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189740656 432816423 /nfs/dbraw/zinc/81/64/23/432816423.db2.gz OUFBGPZORLWOBV-CRAIPNDOSA-N 1 0 306.425 3.073 10 0 DGAERO CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000162283721 432819435 /nfs/dbraw/zinc/81/94/35/432819435.db2.gz JTDCJYSNSGYGBK-DNVCBOLYSA-N 1 0 314.429 3.472 10 0 DGAERO Cc1occc1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162362652 432821679 /nfs/dbraw/zinc/82/16/79/432821679.db2.gz WXCLMHIDSAHIMK-LJQANCHMSA-N 1 0 312.413 3.373 10 0 DGAERO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000162526499 432826320 /nfs/dbraw/zinc/82/63/20/432826320.db2.gz UHSGHURIBJOFPA-NSHDSACASA-N 1 0 322.330 3.185 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000245413281 432827962 /nfs/dbraw/zinc/82/79/62/432827962.db2.gz BICOHTAYAVGPNZ-LPHOPBHVSA-N 1 0 312.461 3.034 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)cc(F)c1 ZINC000245423608 432829044 /nfs/dbraw/zinc/82/90/44/432829044.db2.gz BOZHBUYTCYNAKE-CABCVRRESA-N 1 0 309.360 3.055 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2ccccc2)o1 ZINC000245424760 432829174 /nfs/dbraw/zinc/82/91/74/432829174.db2.gz KGPQDFNDRJNXLO-SJORKVTESA-N 1 0 311.429 3.400 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)cc(F)c1 ZINC000245423611 432829506 /nfs/dbraw/zinc/82/95/06/432829506.db2.gz BOZHBUYTCYNAKE-GJZGRUSLSA-N 1 0 309.360 3.055 10 0 DGAERO Cc1cccn2c(=O)cc(C[N@H+]3C[C@H](C)[C@H]3c3ccccc3)nc12 ZINC000245440773 432831423 /nfs/dbraw/zinc/83/14/23/432831423.db2.gz UWQOPBMOSJKVFL-KXBFYZLASA-N 1 0 319.408 3.196 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2cccs2)o1 ZINC000245443260 432831620 /nfs/dbraw/zinc/83/16/20/432831620.db2.gz XBURMJFSFYDBML-KBPBESRZSA-N 1 0 317.458 3.462 10 0 DGAERO Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)[NH2+][C@H](CO)C(C)C ZINC000162738959 432833975 /nfs/dbraw/zinc/83/39/75/432833975.db2.gz FMFNZVUKZCIWLU-CXAGYDPISA-N 1 0 301.434 3.157 10 0 DGAERO CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000245473379 432835573 /nfs/dbraw/zinc/83/55/73/432835573.db2.gz PXLRKQTUHKDZPN-OLMNPRSZSA-N 1 0 309.425 3.242 10 0 DGAERO C[C@H]1CCC[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000245497286 432837111 /nfs/dbraw/zinc/83/71/11/432837111.db2.gz TXIKBNKEROHSRB-YYHXJNRASA-N 1 0 307.482 3.222 10 0 DGAERO CCCN(C(=O)c1ccc(-c2ccc(F)cc2)o1)[C@@H]1CC[NH2+]C1 ZINC000178924221 432787195 /nfs/dbraw/zinc/78/71/95/432787195.db2.gz IYYKJWGDGQMAPM-OAHLLOKOSA-N 1 0 316.376 3.300 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000161704428 432793051 /nfs/dbraw/zinc/79/30/51/432793051.db2.gz INYYLWZXCPGDJB-ZNMIVQPWSA-N 1 0 306.475 3.151 10 0 DGAERO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000189523160 432796579 /nfs/dbraw/zinc/79/65/79/432796579.db2.gz JUAWLOFHSSUGMR-GJZGRUSLSA-N 1 0 310.438 3.418 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000179014580 432797088 /nfs/dbraw/zinc/79/70/88/432797088.db2.gz INDDVAXAWWADFP-IRXDYDNUSA-N 1 0 313.376 3.393 10 0 DGAERO CCC[C@H](C(=O)Nc1cccc(COCC2CC2)c1)[NH+](C)C ZINC000161784877 432799065 /nfs/dbraw/zinc/79/90/65/432799065.db2.gz ARUBLTRDSWAJRC-QGZVFWFLSA-N 1 0 304.434 3.282 10 0 DGAERO CCC[C@@H](C(=O)Nc1cccc(COCC2CC2)c1)[NH+](C)C ZINC000161784756 432799109 /nfs/dbraw/zinc/79/91/09/432799109.db2.gz ARUBLTRDSWAJRC-KRWDZBQOSA-N 1 0 304.434 3.282 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1sccc1Br)[S@](C)=O ZINC000161904197 432802569 /nfs/dbraw/zinc/80/25/69/432802569.db2.gz BZJBLXSYYWBLGD-YNEJBJPTSA-N 1 0 324.309 3.318 10 0 DGAERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCCO[C@H]3C)c2C1 ZINC000189621733 432804039 /nfs/dbraw/zinc/80/40/39/432804039.db2.gz RQZAIYLYDBCCMR-HOCLYGCPSA-N 1 0 316.445 3.412 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N(CCc2ccccc2)c2ccccc2)C1 ZINC000237932057 432804299 /nfs/dbraw/zinc/80/42/99/432804299.db2.gz VESHETJYUVKVEH-QZTJIDSGSA-N 1 0 308.425 3.390 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2)C1 ZINC000237927756 432804426 /nfs/dbraw/zinc/80/44/26/432804426.db2.gz LFRGMCXYKVELMU-KBPBESRZSA-N 1 0 320.396 3.091 10 0 DGAERO Cc1ccccc1[C@@H](C)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189630314 432805216 /nfs/dbraw/zinc/80/52/16/432805216.db2.gz IKNMHRWQMVEAGL-OAHLLOKOSA-N 1 0 310.445 3.479 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCCC2)C1 ZINC000237958594 432805649 /nfs/dbraw/zinc/80/56/49/432805649.db2.gz TUZDOQOZTBNATP-WMLDXEAASA-N 1 0 318.436 3.271 10 0 DGAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)cc1 ZINC000237992694 432808304 /nfs/dbraw/zinc/80/83/04/432808304.db2.gz CTDYUOYOEVHAMC-UHFFFAOYSA-N 1 0 314.360 3.326 10 0 DGAERO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000189675654 432810773 /nfs/dbraw/zinc/81/07/73/432810773.db2.gz KLDQYUVOVVSNQD-KRWDZBQOSA-N 1 0 322.474 3.197 10 0 DGAERO CCOc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000245737083 432859943 /nfs/dbraw/zinc/85/99/43/432859943.db2.gz LAFXZJDQGRBXJA-GOEBONIOSA-N 1 0 306.450 3.008 10 0 DGAERO CCCOc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1OC ZINC000245749903 432860854 /nfs/dbraw/zinc/86/08/54/432860854.db2.gz NPBABROVHGWVSR-WBVHZDCISA-N 1 0 318.461 3.153 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1nnc(-c2ccccc2)o1 ZINC000245777385 432863126 /nfs/dbraw/zinc/86/31/26/432863126.db2.gz PYVMEFOKDZVRCD-ARLBYUKCSA-N 1 0 313.401 3.345 10 0 DGAERO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000245838227 432865741 /nfs/dbraw/zinc/86/57/41/432865741.db2.gz IWXHFKWZJOUMMJ-ZVZYQTTQSA-N 1 0 318.461 3.130 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000245867132 432866353 /nfs/dbraw/zinc/86/63/53/432866353.db2.gz LOVMRTODEOTSKO-KDOFPFPSSA-N 1 0 310.397 3.255 10 0 DGAERO CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nc(CC)nc32)C1(C)C ZINC000245873202 432866885 /nfs/dbraw/zinc/86/68/85/432866885.db2.gz JRRZDXPTNJCCQO-SOUVJXGZSA-N 1 0 320.481 3.249 10 0 DGAERO Clc1cccc(-c2cnc(CN3CC[N@@H+]4CCC[C@H]4C3)o2)c1 ZINC000245910641 432869507 /nfs/dbraw/zinc/86/95/07/432869507.db2.gz JCCOBPMRMOGDCN-HNNXBMFYSA-N 1 0 317.820 3.275 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2sccc2C)[C@@H](C)C1 ZINC000245925232 432870480 /nfs/dbraw/zinc/87/04/80/432870480.db2.gz HOVAGRNTFLRQJF-JONQDZQNSA-N 1 0 320.502 3.349 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245953742 432872281 /nfs/dbraw/zinc/87/22/81/432872281.db2.gz BPFRGMAZUJYOHR-XJKSGUPXSA-N 1 0 323.868 3.212 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3cnn(C)c3)C1)[C@H](C)C2 ZINC000245955487 432872618 /nfs/dbraw/zinc/87/26/18/432872618.db2.gz LTUFMCPDTQDYFB-OXFYSEKESA-N 1 0 324.472 3.220 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc3ccccc3s2)[C@@H](C)C1 ZINC000245973445 432873592 /nfs/dbraw/zinc/87/35/92/432873592.db2.gz WSVBXEMMEDZZGQ-GXTWGEPZSA-N 1 0 317.458 3.099 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)c(F)c2)[C@@H](C)C1 ZINC000245987180 432874286 /nfs/dbraw/zinc/87/42/86/432874286.db2.gz HSXYGZXHUVSFKK-WFASDCNBSA-N 1 0 323.412 3.028 10 0 DGAERO CCC[C@H](C[N@@H+]1CCN(C[C@H](C)O)[C@H](CC)C1)c1ccccc1 ZINC000246015430 432874624 /nfs/dbraw/zinc/87/46/24/432874624.db2.gz ZCVQMKHSYJYXRB-DFQSSKMNSA-N 1 0 318.505 3.347 10 0 DGAERO CCc1csc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000163007450 432840499 /nfs/dbraw/zinc/84/04/99/432840499.db2.gz DKWNPYYMFBIFFH-HOCLYGCPSA-N 1 0 307.507 3.369 10 0 DGAERO CCCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245555831 432844233 /nfs/dbraw/zinc/84/42/33/432844233.db2.gz IQIBRQRKKOQFIU-HOCLYGCPSA-N 1 0 319.449 3.422 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc2c1OCCO2 ZINC000245559303 432844959 /nfs/dbraw/zinc/84/49/59/432844959.db2.gz LUJBGKBPOAXTMT-LSDHHAIUSA-N 1 0 303.402 3.231 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000245573225 432846284 /nfs/dbraw/zinc/84/62/84/432846284.db2.gz YUPZWSPJNBLEDJ-WFASDCNBSA-N 1 0 323.412 3.028 10 0 DGAERO CCCn1cc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000245566049 432846727 /nfs/dbraw/zinc/84/67/27/432846727.db2.gz SFWUWNBETQTETJ-MSOLQXFVSA-N 1 0 318.509 3.380 10 0 DGAERO C[C@H]([NH3+])[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000163211951 432847101 /nfs/dbraw/zinc/84/71/01/432847101.db2.gz PBKCIADSAMKAPL-WDEREUQCSA-N 1 0 303.233 3.041 10 0 DGAERO Cc1nccc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000245617692 432850667 /nfs/dbraw/zinc/85/06/67/432850667.db2.gz MJBKCTLKIRHEOJ-HOCLYGCPSA-N 1 0 302.809 3.296 10 0 DGAERO CC(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245683818 432855678 /nfs/dbraw/zinc/85/56/78/432855678.db2.gz KNBJKIAIAHHPSI-WFASDCNBSA-N 1 0 312.816 3.244 10 0 DGAERO C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1n1ccnc1 ZINC000245698435 432856514 /nfs/dbraw/zinc/85/65/14/432856514.db2.gz BHVMBABRIGKNBO-CRAIPNDOSA-N 1 0 321.428 3.356 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000245699676 432856791 /nfs/dbraw/zinc/85/67/91/432856791.db2.gz CDHCHBXOLKOGMP-SWLSCSKDSA-N 1 0 310.800 3.035 10 0 DGAERO CCCn1nc(C)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1C ZINC000245718882 432858432 /nfs/dbraw/zinc/85/84/32/432858432.db2.gz HNXFPEPRNCWFKZ-WMZOPIPTSA-N 1 0 305.466 3.037 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2c[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245715042 432858465 /nfs/dbraw/zinc/85/84/65/432858465.db2.gz GSVWPSCOQUIMJC-YJBOKZPZSA-N 1 0 312.461 3.239 10 0 DGAERO COCC[C@H](COC)[NH2+][C@H](C)c1ccccc1Br ZINC000310807202 292694807 /nfs/dbraw/zinc/69/48/07/292694807.db2.gz HXQXCJRIWFQOIN-VXGBXAGGSA-N 1 0 316.239 3.151 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247250052 292695681 /nfs/dbraw/zinc/69/56/81/292695681.db2.gz YFHPMFINGZMYKQ-HCXYKTFWSA-N 1 0 321.436 3.321 10 0 DGAERO CN(C(=O)Nc1ncc(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000333188681 433039172 /nfs/dbraw/zinc/03/91/72/433039172.db2.gz UHYCCWFGGVTAAM-LLVKDONJSA-N 1 0 310.467 3.046 10 0 DGAERO c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)nc1 ZINC000341410988 433052044 /nfs/dbraw/zinc/05/20/44/433052044.db2.gz VTRIBYHTPFHVNY-GVDBMIGSSA-N 1 0 303.450 3.069 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1 ZINC000055339760 289186927 /nfs/dbraw/zinc/18/69/27/289186927.db2.gz LKRWOPSTWMZCOE-QGZVFWFLSA-N 1 0 315.392 3.120 10 0 DGAERO C[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(Cl)s1 ZINC000262179104 289301509 /nfs/dbraw/zinc/30/15/09/289301509.db2.gz YYOHXEFNHQAGOF-ONGXEEELSA-N 1 0 300.855 3.091 10 0 DGAERO Clc1cccc(-c2noc(N3CCC[N@@H+]4CCC[C@@H]4C3)n2)c1 ZINC000372948263 433065382 /nfs/dbraw/zinc/06/53/82/433065382.db2.gz LPDKBQRRQIDIAP-CQSZACIVSA-N 1 0 318.808 3.065 10 0 DGAERO CC[C@H]([NH2+][C@H](C)Cc1c(OC)cc(OC)cc1OC)C1CC1 ZINC000453315306 433084809 /nfs/dbraw/zinc/08/48/09/433084809.db2.gz YAIFTFQTWZJAEB-WBMJQRKESA-N 1 0 307.434 3.422 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC23CCC3)cc1 ZINC000373100043 433092051 /nfs/dbraw/zinc/09/20/51/433092051.db2.gz PVPMCQMYXBABJC-UHFFFAOYSA-N 1 0 300.402 3.236 10 0 DGAERO C[C@@H]1CC(C[NH2+]Cc2ccc(Br)cn2)C[C@@H](C)O1 ZINC000341493864 433093644 /nfs/dbraw/zinc/09/36/44/433093644.db2.gz XCQWCROIFGBJPJ-GHMZBOCLSA-N 1 0 313.239 3.137 10 0 DGAERO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000453371699 433131614 /nfs/dbraw/zinc/13/16/14/433131614.db2.gz UPXFQSPXHXVCDB-ZLKJLUDKSA-N 1 0 319.323 3.040 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC000446977789 433140673 /nfs/dbraw/zinc/14/06/73/433140673.db2.gz RQABJHNDYFQFTR-MAUKXSAKSA-N 1 0 302.462 3.233 10 0 DGAERO C=Cn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)cn1 ZINC000290576023 433102083 /nfs/dbraw/zinc/10/20/83/433102083.db2.gz UEVXQERKYKAZLH-RBUKOAKNSA-N 1 0 319.412 3.199 10 0 DGAERO O=C(N[C@H]1CCCC[NH2+]C1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000333822374 433112503 /nfs/dbraw/zinc/11/25/03/433112503.db2.gz LBLPMUKFDJYGTO-HNNXBMFYSA-N 1 0 321.852 3.161 10 0 DGAERO Cc1nccc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000374519041 433207892 /nfs/dbraw/zinc/20/78/92/433207892.db2.gz IUSYGNWAKATLRZ-IBGZPJMESA-N 1 0 324.472 3.175 10 0 DGAERO CCSCC[NH2+]Cc1cc(Br)ccc1OC ZINC000336661583 433174782 /nfs/dbraw/zinc/17/47/82/433174782.db2.gz ODPKXDSXVBRYLT-UHFFFAOYSA-N 1 0 304.253 3.300 10 0 DGAERO c1nn2ccccc2c1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374495025 433204346 /nfs/dbraw/zinc/20/43/46/433204346.db2.gz GXPBRQWHECCRKN-VQIMIIECSA-N 1 0 307.397 3.202 10 0 DGAERO C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CCCCC2(C)C)C[C@@H](C)O1 ZINC000447500977 433205890 /nfs/dbraw/zinc/20/58/90/433205890.db2.gz MXKNFPZTOYWRGM-BRWVUGGUSA-N 1 0 324.509 3.208 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](C[C@@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384418 433224750 /nfs/dbraw/zinc/22/47/50/433224750.db2.gz KLZLDZXEMKSNFE-LSDHHAIUSA-N 1 0 305.491 3.152 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2sc(C)cc2Br)C1 ZINC000453610079 433236864 /nfs/dbraw/zinc/23/68/64/433236864.db2.gz QOWLMZSCFBJOFV-NXEZZACHSA-N 1 0 304.253 3.476 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000354727629 433239747 /nfs/dbraw/zinc/23/97/47/433239747.db2.gz GMRIAZNEPMADOZ-GOSISDBHSA-N 1 0 311.429 3.468 10 0 DGAERO C/C(=C/c1ccccc1)C[N@@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425470489 433256588 /nfs/dbraw/zinc/25/65/88/433256588.db2.gz FUSAHQMQTODDRD-REZBVGGZSA-N 1 0 300.446 3.421 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCSC[C@H]3C3CC3)cn2)nc1 ZINC000425491572 433266252 /nfs/dbraw/zinc/26/62/52/433266252.db2.gz MHNMMZCUDZQTRC-SFHVURJKSA-N 1 0 311.454 3.471 10 0 DGAERO CC(=O)N1CC[N@H+](Cc2c(C)c(C)c(C)c(C)c2C)[C@H](C)C1 ZINC000361588196 433267702 /nfs/dbraw/zinc/26/77/02/433267702.db2.gz QREYXOOVWOVPAO-GFCCVEGCSA-N 1 0 302.462 3.281 10 0 DGAERO c1cnc2c(c1)nccc2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338683206 433315321 /nfs/dbraw/zinc/31/53/21/433315321.db2.gz UMNGHDGXJRVCHG-PBHICJAKSA-N 1 0 308.429 3.083 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000281318309 433282380 /nfs/dbraw/zinc/28/23/80/433282380.db2.gz ZQIYHFILDCLGIS-KSSFIOAISA-N 1 0 304.409 3.125 10 0 DGAERO Cc1cnn(CC[N@@H+](C)Cc2cccc(Br)c2)c1 ZINC000341830943 433303474 /nfs/dbraw/zinc/30/34/74/433303474.db2.gz HMIKUFKUYRYOEH-UHFFFAOYSA-N 1 0 308.223 3.086 10 0 DGAERO CC[C@H]1CCCCN1C(=O)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000361727746 433363369 /nfs/dbraw/zinc/36/33/69/433363369.db2.gz NNZIZCFHPVFLEW-RDJZCZTQSA-N 1 0 318.461 3.046 10 0 DGAERO COc1cc(C)nc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)c1 ZINC000299152820 433334060 /nfs/dbraw/zinc/33/40/60/433334060.db2.gz WZMBOFXPOBZKOL-HNNXBMFYSA-N 1 0 322.412 3.435 10 0 DGAERO c1ccc2c(c1)CCN2C1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000281920261 433428164 /nfs/dbraw/zinc/42/81/64/433428164.db2.gz OADPUBMDDNCTDG-UHFFFAOYSA-N 1 0 320.440 3.386 10 0 DGAERO CC1(C)[C@@H]([NH2+]Cc2nnc3ccccn32)C[C@@H]1Oc1ccccc1 ZINC000375323525 433428869 /nfs/dbraw/zinc/42/88/69/433428869.db2.gz HIIBVCFTWWNRDT-HOTGVXAUSA-N 1 0 322.412 3.065 10 0 DGAERO CC(=O)c1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000421097563 433429083 /nfs/dbraw/zinc/42/90/83/433429083.db2.gz WUHIKLQJFJXPSI-CYBMUJFWSA-N 1 0 323.824 3.101 10 0 DGAERO C[NH+]1CCC(CC(=O)NC2(C(C)(C)c3ccccc3)CC2)CC1 ZINC000456809763 289876049 /nfs/dbraw/zinc/87/60/49/289876049.db2.gz LIYAXLNKWLUNTM-UHFFFAOYSA-N 1 0 314.473 3.345 10 0 DGAERO c1ccc(CN2CCCO[C@H](C[N@@H+]3CCCC34CCC4)C2)cc1 ZINC000375334516 433432915 /nfs/dbraw/zinc/43/29/15/433432915.db2.gz CPJDACSQVHNLFI-IBGZPJMESA-N 1 0 314.473 3.296 10 0 DGAERO c1[nH]c(C[NH2+][C@H]2CCN(c3ccccc3)C2)nc1-c1ccccc1 ZINC000361956541 433469932 /nfs/dbraw/zinc/46/99/32/433469932.db2.gz FBKOYRCYKVVTRH-KRWDZBQOSA-N 1 0 318.424 3.445 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)CCC2 ZINC000361965908 433470634 /nfs/dbraw/zinc/47/06/34/433470634.db2.gz JHUTYPRYDXTVQM-PXNSSMCTSA-N 1 0 311.425 3.438 10 0 DGAERO c1coc(-c2nc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)cs2)c1 ZINC000355111119 433468368 /nfs/dbraw/zinc/46/83/68/433468368.db2.gz LYAQUZQCMXZJAP-GXTWGEPZSA-N 1 0 304.415 3.404 10 0 DGAERO C[C@H](c1cccc(Br)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311208319 290245016 /nfs/dbraw/zinc/24/50/16/290245016.db2.gz NUQGYGIPEGULAU-LALPHHSUSA-N 1 0 311.267 3.427 10 0 DGAERO c1cc(N2CCC[N@@H+](CC3CCCCC3)CC2)nc(C2CC2)n1 ZINC000301260828 433476819 /nfs/dbraw/zinc/47/68/19/433476819.db2.gz VADYTLDALSNQSX-UHFFFAOYSA-N 1 0 314.477 3.446 10 0 DGAERO Cc1nnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000301344801 433518783 /nfs/dbraw/zinc/51/87/83/433518783.db2.gz HWYMTJUHZRGJQP-OAHLLOKOSA-N 1 0 302.447 3.313 10 0 DGAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1sc2ccccc2c1Cl ZINC000282196065 433528419 /nfs/dbraw/zinc/52/84/19/433528419.db2.gz CGDUUIXRWWDEPZ-GXSJLCMTSA-N 1 0 308.834 3.311 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421350824 433491695 /nfs/dbraw/zinc/49/16/95/433491695.db2.gz LLMFISWTRQZDLB-INIZCTEOSA-N 1 0 313.470 3.495 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421350825 433492084 /nfs/dbraw/zinc/49/20/84/433492084.db2.gz LLMFISWTRQZDLB-MRXNPFEDSA-N 1 0 313.470 3.495 10 0 DGAERO C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)c1nnc(C2CC2)s1 ZINC000414336343 433549342 /nfs/dbraw/zinc/54/93/42/433549342.db2.gz YZCJWXQPRODTBD-MCIONIFRSA-N 1 0 307.463 3.100 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncnc2sc3c(c21)CCC3 ZINC000301472876 433567971 /nfs/dbraw/zinc/56/79/71/433567971.db2.gz LGNPGRUAKBBSAV-LBPRGKRZSA-N 1 0 316.474 3.101 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncnc2sc3c(c21)CCC3 ZINC000301472875 433569849 /nfs/dbraw/zinc/56/98/49/433569849.db2.gz LGNPGRUAKBBSAV-GFCCVEGCSA-N 1 0 316.474 3.101 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000292507715 433571369 /nfs/dbraw/zinc/57/13/69/433571369.db2.gz HWHDPBOTCJEJQB-LPOKXYRGSA-N 1 0 322.456 3.337 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000282245038 433542756 /nfs/dbraw/zinc/54/27/56/433542756.db2.gz JGPXZSBPNPZXRY-DAROEXNTSA-N 1 0 319.207 3.450 10 0 DGAERO CCC[C@@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)[NH+](C)C ZINC000162323971 292851737 /nfs/dbraw/zinc/85/17/37/292851737.db2.gz ZGKUFGSTAXGWKF-INIZCTEOSA-N 1 0 321.852 3.210 10 0 DGAERO Cc1ccc(C(=O)NCCCC[NH+](C)C)c(Cl)c1Cl ZINC000448976769 433638367 /nfs/dbraw/zinc/63/83/67/433638367.db2.gz VQVMKNABGYHLSM-UHFFFAOYSA-N 1 0 303.233 3.373 10 0 DGAERO c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)s2)cc1 ZINC000362314247 433641172 /nfs/dbraw/zinc/64/11/72/433641172.db2.gz FKHSSIFCWZJFIQ-HUUCEWRRSA-N 1 0 315.442 3.206 10 0 DGAERO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccnc(C)n4)C3)nc2c1 ZINC000376014053 433643165 /nfs/dbraw/zinc/64/31/65/433643165.db2.gz KYIAOTCUECUINF-HNNXBMFYSA-N 1 0 321.428 3.349 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000375864066 433595437 /nfs/dbraw/zinc/59/54/37/433595437.db2.gz ZJLDHWXOKFIBLZ-CQSZACIVSA-N 1 0 307.401 3.354 10 0 DGAERO C[C@@H]([NH2+]CCc1cn(C)cn1)c1sccc1Br ZINC000313255102 292889603 /nfs/dbraw/zinc/88/96/03/292889603.db2.gz QWKVNHFRCIRUOW-SECBINFHSA-N 1 0 314.252 3.137 10 0 DGAERO c1cc(Sc2ccccn2)oc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000351608603 433612704 /nfs/dbraw/zinc/61/27/04/433612704.db2.gz PTHOTUAGLHLYCZ-BETUJISGSA-N 1 0 302.399 3.189 10 0 DGAERO C[C@@H](F)CC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000339483606 433612706 /nfs/dbraw/zinc/61/27/06/433612706.db2.gz BNGFYYGOCHUIPR-SECBINFHSA-N 1 0 302.187 3.222 10 0 DGAERO Cc1cccc2c(N3CC[C@@H](Cc4cnn(C)c4)C3)cc[nH+]c12 ZINC000301644321 433654718 /nfs/dbraw/zinc/65/47/18/433654718.db2.gz CIIUVMFDOYDBIV-HNNXBMFYSA-N 1 0 306.413 3.346 10 0 DGAERO Cc1ccncc1C[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000366337705 292937143 /nfs/dbraw/zinc/93/71/43/292937143.db2.gz LVIGMKBOUHDESY-INIZCTEOSA-N 1 0 301.821 3.412 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCS2)[C@H]1c1cccs1 ZINC000362352324 433659175 /nfs/dbraw/zinc/65/91/75/433659175.db2.gz HTLRAMWNLZBSOZ-YUELXQCFSA-N 1 0 324.515 3.143 10 0 DGAERO C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC000376078943 433660034 /nfs/dbraw/zinc/66/00/34/433660034.db2.gz GERANINOGKXPAN-DLBZAZTESA-N 1 0 306.494 3.393 10 0 DGAERO Cc1cccc2c(NC[C@H](CO)Cc3ccccn3)cc[nH+]c12 ZINC000301672191 433669180 /nfs/dbraw/zinc/66/91/80/433669180.db2.gz OJHOOOLUHNDAQW-OAHLLOKOSA-N 1 0 307.397 3.201 10 0 DGAERO Clc1cc(N2CCC(C[NH+]3CCCC3)CC2)nc(C2CC2)n1 ZINC000301675721 433669807 /nfs/dbraw/zinc/66/98/07/433669807.db2.gz QEIBNWOGWFDPDX-UHFFFAOYSA-N 1 0 320.868 3.320 10 0 DGAERO C/C(=C\C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000366624817 292969949 /nfs/dbraw/zinc/96/99/49/292969949.db2.gz GZOZRGOPAXZUTJ-XUZKFJCCSA-N 1 0 318.848 3.485 10 0 DGAERO Cc1csc([C@@H]2CCCCN2C(=O)C[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000261668409 293052029 /nfs/dbraw/zinc/05/20/29/293052029.db2.gz FVKZJEFQBKKIHS-MJBXVCDLSA-N 1 0 307.463 3.023 10 0 DGAERO Fc1cc(CN2CC[C@H](c3nc(C4CC4)no3)C2)cc(F)c1F ZINC000367477046 293078323 /nfs/dbraw/zinc/07/83/23/293078323.db2.gz MGCUOSOVJMXHQJ-NSHDSACASA-N 1 0 323.318 3.354 10 0 DGAERO C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CCCCN1C1CC1 ZINC000370080445 293154351 /nfs/dbraw/zinc/15/43/51/293154351.db2.gz IKMBQAGDPUQZDJ-LULLPPNCSA-N 1 0 306.494 3.188 10 0 DGAERO CCC1(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000370164331 293159995 /nfs/dbraw/zinc/15/99/95/293159995.db2.gz WQQLBUZRHMXFMZ-UKRRQHHQSA-N 1 0 306.475 3.437 10 0 DGAERO CCC1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000370164332 293160177 /nfs/dbraw/zinc/16/01/77/293160177.db2.gz WQQLBUZRHMXFMZ-ZFWWWQNUSA-N 1 0 306.475 3.437 10 0 DGAERO CC(C)[NH2+]C1CCN(C(=O)Nc2cccc3c2OCCC3)CC1 ZINC000370540960 293177781 /nfs/dbraw/zinc/17/77/81/293177781.db2.gz ZCRQGYHLPCXBKW-UHFFFAOYSA-N 1 0 317.433 3.006 10 0 DGAERO CC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)cn1 ZINC000370664985 293183114 /nfs/dbraw/zinc/18/31/14/293183114.db2.gz MFMCFBDPMBQHCJ-MSOLQXFVSA-N 1 0 309.413 3.466 10 0 DGAERO COc1cc2ccccc2cc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000449049145 433706327 /nfs/dbraw/zinc/70/63/27/433706327.db2.gz QXBKBCYXPCINQK-KRWDZBQOSA-N 1 0 317.454 3.148 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261860336 293253066 /nfs/dbraw/zinc/25/30/66/293253066.db2.gz RIPQPTVPAFSHKF-BXUZGUMPSA-N 1 0 321.490 3.309 10 0 DGAERO c1ccc(SCC[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000373278755 293255710 /nfs/dbraw/zinc/25/57/10/293255710.db2.gz QAIQJBJBKPYSBF-UHFFFAOYSA-N 1 0 315.442 3.112 10 0 DGAERO Cc1nccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000373605789 293296423 /nfs/dbraw/zinc/29/64/23/293296423.db2.gz AJDVRZNBPLFGHJ-QZTJIDSGSA-N 1 0 315.392 3.012 10 0 DGAERO CC[N@H+](CC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000373839523 293322353 /nfs/dbraw/zinc/32/23/53/293322353.db2.gz PLNSVGIWNKHZPB-CTYIDZIISA-N 1 0 306.837 3.187 10 0 DGAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCCC12CCC2 ZINC000373872495 293325556 /nfs/dbraw/zinc/32/55/56/293325556.db2.gz HKXSUTCUGMPNEZ-OAHLLOKOSA-N 1 0 317.433 3.145 10 0 DGAERO Fc1cnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC000301778411 433721729 /nfs/dbraw/zinc/72/17/29/433721729.db2.gz MFVAHVIYJHJPNV-INIZCTEOSA-N 1 0 300.381 3.082 10 0 DGAERO Brc1cccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000374404673 293395365 /nfs/dbraw/zinc/39/53/65/293395365.db2.gz XKTYZVFYIPEPSX-KBPBESRZSA-N 1 0 310.235 3.308 10 0 DGAERO c1cc(CN2CCOCC2)ccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000449063935 433718632 /nfs/dbraw/zinc/71/86/32/433718632.db2.gz RYQPXSHUCWGREW-LJQANCHMSA-N 1 0 314.473 3.331 10 0 DGAERO CCCc1cc(N[C@H]2CCN(C(=O)OC)C2)c2ccccc2[nH+]1 ZINC000301781782 433718760 /nfs/dbraw/zinc/71/87/60/433718760.db2.gz JDIFBPSVKZSPMM-AWEZNQCLSA-N 1 0 313.401 3.440 10 0 DGAERO c1csc(-c2cc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)no2)c1 ZINC000362456060 433726421 /nfs/dbraw/zinc/72/64/21/433726421.db2.gz UOGPCDAXESEBGF-OCCSQVGLSA-N 1 0 304.415 3.404 10 0 DGAERO c1cc(-c2nc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)cs2)co1 ZINC000362454373 433729564 /nfs/dbraw/zinc/72/95/64/433729564.db2.gz PYUPZOCLQJPDHE-WFASDCNBSA-N 1 0 304.415 3.404 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000356857993 433735633 /nfs/dbraw/zinc/73/56/33/433735633.db2.gz CIUUFBOFXHGUMT-LFIBNONCSA-N 1 0 304.397 3.460 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1cccc(O)c1 ZINC000283510468 433736509 /nfs/dbraw/zinc/73/65/09/433736509.db2.gz ZKMLZLJYTSWRPI-CHWSQXEVSA-N 1 0 308.422 3.298 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)CCC2 ZINC000150933266 293437959 /nfs/dbraw/zinc/43/79/59/293437959.db2.gz RVXPKSGUQOHBAJ-OAHLLOKOSA-N 1 0 321.490 3.066 10 0 DGAERO CCc1nc2sccc2c(N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)n1 ZINC000301828365 433742898 /nfs/dbraw/zinc/74/28/98/433742898.db2.gz GFHSPHQGIRBYGW-JSGCOSHPSA-N 1 0 318.490 3.420 10 0 DGAERO Cc1ccc2ncnc(N3CCC([N@H+]4CCC[C@H]4C)CC3)c2c1 ZINC000301790394 433724079 /nfs/dbraw/zinc/72/40/79/433724079.db2.gz QITIXQUELXSNLR-OAHLLOKOSA-N 1 0 310.445 3.391 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000293675862 433824094 /nfs/dbraw/zinc/82/40/94/433824094.db2.gz KBDKHNKSVQAAMW-CYBMUJFWSA-N 1 0 314.223 3.115 10 0 DGAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)C1 ZINC000356998141 433808792 /nfs/dbraw/zinc/80/87/92/433808792.db2.gz AGDDPBWNQXYDNZ-JFIYKMOQSA-N 1 0 300.446 3.376 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(F)ccc1SC ZINC000362654167 433809628 /nfs/dbraw/zinc/80/96/28/433809628.db2.gz SOMFCVQBACHOAO-AWEZNQCLSA-N 1 0 310.438 3.038 10 0 DGAERO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CCCC1 ZINC000357022226 433826179 /nfs/dbraw/zinc/82/61/79/433826179.db2.gz UKWRQJVMDZXBRD-UKRRQHHQSA-N 1 0 322.399 3.059 10 0 DGAERO CC[N@H+](C)[C@H]1CCN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000302768766 433858010 /nfs/dbraw/zinc/85/80/10/433858010.db2.gz MFTVZIKEIJVYNM-LBPRGKRZSA-N 1 0 316.474 3.101 10 0 DGAERO CN1CCC[C@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293777541 433863668 /nfs/dbraw/zinc/86/36/68/433863668.db2.gz PXZKCJMWVQUVMW-GXSJLCMTSA-N 1 0 315.280 3.182 10 0 DGAERO CN1CCC[C@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293777548 433863772 /nfs/dbraw/zinc/86/37/72/433863772.db2.gz PXZKCJMWVQUVMW-ONGXEEELSA-N 1 0 315.280 3.182 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccco2)[C@H]1c1cccs1 ZINC000362801439 433865219 /nfs/dbraw/zinc/86/52/19/433865219.db2.gz FLPJCLUQNXUFAN-DYVFJYSZSA-N 1 0 318.442 3.083 10 0 DGAERO Cc1ccoc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000293906116 433916120 /nfs/dbraw/zinc/91/61/20/433916120.db2.gz ZVMIIORASKKHBI-UONOGXRCSA-N 1 0 308.422 3.323 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCc2c(C)cc(C)cc2C1 ZINC000362932976 433916741 /nfs/dbraw/zinc/91/67/41/433916741.db2.gz DHARIEBNHPTHQR-GOSISDBHSA-N 1 0 300.446 3.063 10 0 DGAERO Cn1c(Cl)cnc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000362960869 433926996 /nfs/dbraw/zinc/92/69/96/433926996.db2.gz BMLBJVFCCRUDJJ-HNNXBMFYSA-N 1 0 324.900 3.162 10 0 DGAERO CN(C)[C@]1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCSC1 ZINC000436288668 433928624 /nfs/dbraw/zinc/92/86/24/433928624.db2.gz GKCRZGCRCOSNOF-SQNIBIBYSA-N 1 0 304.503 3.350 10 0 DGAERO CCC[C@H](OC)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000449937706 433880456 /nfs/dbraw/zinc/88/04/56/433880456.db2.gz ZJLZXAYUWUCVCR-IJEWVQPXSA-N 1 0 324.490 3.062 10 0 DGAERO Brc1cncc([C@H]([NH2+][C@H]2CCCOC2)C2CC2)c1 ZINC000284320107 433886513 /nfs/dbraw/zinc/88/65/13/433886513.db2.gz AZODIIAUYZBVGO-UONOGXRCSA-N 1 0 311.223 3.064 10 0 DGAERO O=C(Nc1cccc(CCO)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000456911793 433891340 /nfs/dbraw/zinc/89/13/40/433891340.db2.gz HZTSEUVBLLZGGX-UHFFFAOYSA-N 1 0 324.424 3.070 10 0 DGAERO O=C1NCCc2ccc(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)cc21 ZINC000436399311 433957863 /nfs/dbraw/zinc/95/78/63/433957863.db2.gz DKYYNWOMGGMEPB-MOPGFXCFSA-N 1 0 320.436 3.398 10 0 DGAERO c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)C2)cc1 ZINC000436418697 433967694 /nfs/dbraw/zinc/96/76/94/433967694.db2.gz WNDTWUDXXCHUMV-XWSJACJDSA-N 1 0 301.430 3.250 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000340258367 434020076 /nfs/dbraw/zinc/02/00/76/434020076.db2.gz NBGHBGJBIITUNU-BQFCYCMXSA-N 1 0 304.478 3.443 10 0 DGAERO C[C@@H](NCc1ccccc1OCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400748365 293865625 /nfs/dbraw/zinc/86/56/25/293865625.db2.gz UZVVWCHAMTVYTI-APWZRJJASA-N 1 0 310.441 3.496 10 0 DGAERO c1ccc(-n2nnnc2CC[N@@H+]2CCCC23CCCCC3)cc1 ZINC000340229625 433995803 /nfs/dbraw/zinc/99/58/03/433995803.db2.gz GAAVQUWWJZSOMU-UHFFFAOYSA-N 1 0 311.433 3.004 10 0 DGAERO c1cc2c(ncnc2N2CCC[C@@H]2c2ccc3c(c2)OCO3)[nH]1 ZINC000363471807 434066769 /nfs/dbraw/zinc/06/67/69/434066769.db2.gz RNGSJDFUMZHKQO-CYBMUJFWSA-N 1 0 308.341 3.028 10 0 DGAERO COc1cc(C[NH2+]CCOC(C)(C)C)cc(Cl)c1OC ZINC000308730954 434090232 /nfs/dbraw/zinc/09/02/32/434090232.db2.gz JKYNPVSOOAVWBA-UHFFFAOYSA-N 1 0 301.814 3.262 10 0 DGAERO C[N@H+](C[C@H]1CCC[C@H](O)C1)C1CCN(Cc2ccccc2)CC1 ZINC000309682661 434097813 /nfs/dbraw/zinc/09/78/13/434097813.db2.gz AEUWDASGDYTQJG-ICSRJNTNSA-N 1 0 316.489 3.134 10 0 DGAERO C([C@@H]1CCCN(c2nc(C3CCC3)no2)C1)[NH+]1CCCCCC1 ZINC000450311628 434098458 /nfs/dbraw/zinc/09/84/58/434098458.db2.gz DROSQPMKSUMYEF-HNNXBMFYSA-N 1 0 318.465 3.430 10 0 DGAERO COC[C@H](C)C[N@H+](C)Cc1ccc(F)cc1Br ZINC000310249478 434107476 /nfs/dbraw/zinc/10/74/76/434107476.db2.gz JYAKEDJACQZYKV-SNVBAGLBSA-N 1 0 304.203 3.303 10 0 DGAERO CC(C)[N@@H+](Cc1ccc(F)cc1Br)C[C@H](C)O ZINC000353401886 434109391 /nfs/dbraw/zinc/10/93/91/434109391.db2.gz IWJAWBCMCLFICY-JTQLQIEISA-N 1 0 304.203 3.179 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCc3cccc(Cl)c3)[C@H]2C1 ZINC000459571495 293982991 /nfs/dbraw/zinc/98/29/91/293982991.db2.gz RHPWPHYUAYKWTE-SZMVWBNQSA-N 1 0 320.864 3.119 10 0 DGAERO C[C@H](c1ccc(Br)cc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310855205 434110963 /nfs/dbraw/zinc/11/09/63/434110963.db2.gz BHIJSKXLEYJFHM-LALPHHSUSA-N 1 0 311.267 3.427 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1Br ZINC000310611372 434113454 /nfs/dbraw/zinc/11/34/54/434113454.db2.gz AYBHVJNXKZRRHC-ZIAGYGMSSA-N 1 0 312.251 3.398 10 0 DGAERO CCC[N@H+](Cc1csc(Br)c1)CC(C)(C)O ZINC000353418851 434118817 /nfs/dbraw/zinc/11/88/17/434118817.db2.gz HNOYAFKHYKIQMC-UHFFFAOYSA-N 1 0 306.269 3.494 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000313070264 434119690 /nfs/dbraw/zinc/11/96/90/434119690.db2.gz UNBVNCFSIGKFIG-GFCCVEGCSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H]1[C@H](C)N(Cc2c(F)cccc2Br)CC[N@H+]1C ZINC000357611999 434102123 /nfs/dbraw/zinc/10/21/23/434102123.db2.gz UCMCZBMCMLUGGC-MNOVXSKESA-N 1 0 315.230 3.113 10 0 DGAERO C[C@H]1COCCN1CC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000499564735 294087591 /nfs/dbraw/zinc/08/75/91/294087591.db2.gz PNNTYZKUUSFPMI-KRWDZBQOSA-N 1 0 302.462 3.156 10 0 DGAERO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000499646163 294089473 /nfs/dbraw/zinc/08/94/73/294089473.db2.gz ZJVMAIXKPRMFBE-BHIYHBOVSA-N 1 0 302.462 3.023 10 0 DGAERO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000457368181 434126974 /nfs/dbraw/zinc/12/69/74/434126974.db2.gz GBOPIAOGXFYYEE-HOCLYGCPSA-N 1 0 316.351 3.474 10 0 DGAERO C[C@H]([NH2+]CCc1cn(C)cn1)c1cc(Br)cs1 ZINC000313254158 434127522 /nfs/dbraw/zinc/12/75/22/434127522.db2.gz OMCXBRQPSPJIPV-VIFPVBQESA-N 1 0 314.252 3.137 10 0 DGAERO O[C@@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC(C2CCC2)C1 ZINC000504454404 294216952 /nfs/dbraw/zinc/21/69/52/294216952.db2.gz YMTRLOULRGEZCQ-HNNXBMFYSA-N 1 0 313.363 3.341 10 0 DGAERO C[N@H+](CCOc1ccc(F)cc1)C[C@H]1OCCc2ccccc21 ZINC000507253872 294292183 /nfs/dbraw/zinc/29/21/83/294292183.db2.gz PBFLIKWLVKBCFY-LJQANCHMSA-N 1 0 315.388 3.450 10 0 DGAERO C[N@H+](CCC1CCCCC1)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000507616420 294306824 /nfs/dbraw/zinc/30/68/24/294306824.db2.gz OBBCYNAXFNUXJZ-UHFFFAOYSA-N 1 0 318.417 3.256 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2cccc(CC(C)C)c2)C1 ZINC000507730449 294308843 /nfs/dbraw/zinc/30/88/43/294308843.db2.gz DUJSOBCZESCQKA-AEFFLSMTSA-N 1 0 316.489 3.447 10 0 DGAERO FC(F)(F)CN1CCC(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000510961782 294397055 /nfs/dbraw/zinc/39/70/55/294397055.db2.gz NNPMAYYGINKQGN-GJZGRUSLSA-N 1 0 304.400 3.429 10 0 DGAERO FC(F)(F)CN1CCC(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000510961776 294397444 /nfs/dbraw/zinc/39/74/44/294397444.db2.gz NNPMAYYGINKQGN-CABCVRRESA-N 1 0 304.400 3.429 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H](CO)CC2CCCC2)c1 ZINC000511038326 294399826 /nfs/dbraw/zinc/39/98/26/294399826.db2.gz PPOUCEHDACFYNI-ZFWWWQNUSA-N 1 0 307.434 3.296 10 0 DGAERO c1ccc(-c2nccc(N3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000511425260 294408717 /nfs/dbraw/zinc/40/87/17/294408717.db2.gz AFLUENUFPUBWGJ-UHFFFAOYSA-N 1 0 322.456 3.456 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363866675 434165785 /nfs/dbraw/zinc/16/57/85/434165785.db2.gz QMOSNAQCEAYTKP-HHXXYDBFSA-N 1 0 324.472 3.346 10 0 DGAERO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000357775576 434172310 /nfs/dbraw/zinc/17/23/10/434172310.db2.gz BNZXWUTYOQGYQM-MRXNPFEDSA-N 1 0 300.446 3.348 10 0 DGAERO C(=C/c1ccccc1)\CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000450448455 434189985 /nfs/dbraw/zinc/18/99/85/434189985.db2.gz CHBBHMPMYDCBJI-ROTNKFJQSA-N 1 0 314.473 3.277 10 0 DGAERO c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450423288 434166530 /nfs/dbraw/zinc/16/65/30/434166530.db2.gz OLMCNEUEDIZDSZ-KOHRHEQBSA-N 1 0 310.445 3.489 10 0 DGAERO CC[N@H+](CC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 ZINC000437279926 434240956 /nfs/dbraw/zinc/24/09/56/434240956.db2.gz ZHNUHHOTCBGQGP-RBUKOAKNSA-N 1 0 308.425 3.296 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CCN1Cc1ccccc1 ZINC000379650408 434256815 /nfs/dbraw/zinc/25/68/15/434256815.db2.gz RRGYABXBJLXTDW-WMZOPIPTSA-N 1 0 304.478 3.444 10 0 DGAERO c1ccc2c(c1)O[C@@H](C[NH2+][C@@H]1CCOC3(CCC3)C1)CS2 ZINC000515351529 294554053 /nfs/dbraw/zinc/55/40/53/294554053.db2.gz JJYLQYODYYRIPQ-KGLIPLIRSA-N 1 0 305.443 3.231 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000379633262 434258380 /nfs/dbraw/zinc/25/83/80/434258380.db2.gz TYYOTWRWKZFYAQ-LJQANCHMSA-N 1 0 318.505 3.428 10 0 DGAERO Cc1ccccc1C1CC([N@H+](C[C@@H](O)COC(C)C)C2CC2)C1 ZINC000357955494 434261757 /nfs/dbraw/zinc/26/17/57/434261757.db2.gz JGZTVVLBHSOJTG-NKELODKYSA-N 1 0 317.473 3.491 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3N[C@@H]1CCC[NH2+]C1)CCCC2 ZINC000423192893 434276484 /nfs/dbraw/zinc/27/64/84/434276484.db2.gz QCJCKZDDZJAQND-SJLPKXTDSA-N 1 0 300.446 3.121 10 0 DGAERO Cc1ccccc1C1CC([N@H+](C[C@H](O)COC(C)C)C2CC2)C1 ZINC000357955492 434263925 /nfs/dbraw/zinc/26/39/25/434263925.db2.gz JGZTVVLBHSOJTG-KVZIAJEVSA-N 1 0 317.473 3.491 10 0 DGAERO O=C1C[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)CCCN1 ZINC000380107446 434265915 /nfs/dbraw/zinc/26/59/15/434265915.db2.gz YULOVXVBNNTXJO-GOSISDBHSA-N 1 0 324.424 3.024 10 0 DGAERO c1ccc(C[C@@H]([NH2+]CCCNCc2cccnc2)C2CC2)cc1 ZINC000423189501 434271002 /nfs/dbraw/zinc/27/10/02/434271002.db2.gz POSKWOHENMKSPU-HXUWFJFHSA-N 1 0 309.457 3.172 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000437219347 434231951 /nfs/dbraw/zinc/23/19/51/434231951.db2.gz NXXDQLZHCKVDRO-ARFHVFGLSA-N 1 0 306.837 3.187 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000382649992 434279140 /nfs/dbraw/zinc/27/91/40/434279140.db2.gz XJDZWKVGUBHWFV-HOJAQTOUSA-N 1 0 316.489 3.134 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000437526777 434283175 /nfs/dbraw/zinc/28/31/75/434283175.db2.gz JNMMQQHXYCEYBX-ROUUACIJSA-N 1 0 321.486 3.442 10 0 DGAERO C[C@@H](O)CC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000450612442 434292207 /nfs/dbraw/zinc/29/22/07/434292207.db2.gz RLGKFRYMUBLDEO-SECBINFHSA-N 1 0 304.253 3.246 10 0 DGAERO C[N@H+](CCCOCc1ccccc1)C[C@H](O)C1CCCCC1 ZINC000384044134 434292260 /nfs/dbraw/zinc/29/22/60/434292260.db2.gz VGQQOXOGLAREFE-IBGZPJMESA-N 1 0 305.462 3.466 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000385862566 434303232 /nfs/dbraw/zinc/30/32/32/434303232.db2.gz ZWDYBMSYMYYXQM-RISCZKNCSA-N 1 0 308.472 3.464 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(F)c1Br ZINC000386241445 434307263 /nfs/dbraw/zinc/30/72/63/434307263.db2.gz HXGFMUWJPLPWCJ-WCQYABFASA-N 1 0 316.214 3.181 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1F ZINC000386210570 434309234 /nfs/dbraw/zinc/30/92/34/434309234.db2.gz DIEIBADSJOVHHZ-QMTHXVAHSA-N 1 0 316.214 3.181 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000437720553 434322778 /nfs/dbraw/zinc/32/27/78/434322778.db2.gz BXXBMIFHJBTTJP-KRWDZBQOSA-N 1 0 311.429 3.034 10 0 DGAERO COc1ccc(CC[C@H](C)[NH2+]CCOCC2CCC2)cc1O ZINC000517656922 294684582 /nfs/dbraw/zinc/68/45/82/294684582.db2.gz QTWVHFUKEQPKQH-AWEZNQCLSA-N 1 0 307.434 3.128 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000450718126 434361066 /nfs/dbraw/zinc/36/10/66/434361066.db2.gz MWLHWHDSYYBFEF-FOIQADDNSA-N 1 0 311.425 3.137 10 0 DGAERO COc1ncc(C[NH2+]CCCCOCc2ccccc2)s1 ZINC000390600414 434361341 /nfs/dbraw/zinc/36/13/41/434361341.db2.gz WHSKWVHQTNNBAE-UHFFFAOYSA-N 1 0 306.431 3.238 10 0 DGAERO C[C@H](C[NH2+]Cc1c(Br)cnn1C)C1CCCCC1 ZINC000518040774 294703314 /nfs/dbraw/zinc/70/33/14/294703314.db2.gz YRACFUUHCSOUNO-LLVKDONJSA-N 1 0 314.271 3.489 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358194606 434379942 /nfs/dbraw/zinc/37/99/42/434379942.db2.gz KMNDNRIUBZYBEQ-INIZCTEOSA-N 1 0 301.434 3.007 10 0 DGAERO Cn1cc(Br)c(C[NH2+][C@@H]2CCCC23CCCC3)n1 ZINC000393352438 434388702 /nfs/dbraw/zinc/38/87/02/434388702.db2.gz ZUEIMZPLQUGQMZ-CYBMUJFWSA-N 1 0 312.255 3.385 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000423274487 434336264 /nfs/dbraw/zinc/33/62/64/434336264.db2.gz MATOSUMRFXJGIM-WMLDXEAASA-N 1 0 324.424 3.219 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccsc1Br ZINC000388444064 434337066 /nfs/dbraw/zinc/33/70/66/434337066.db2.gz WRNNLAVOAONYAU-CMPLNLGQSA-N 1 0 315.280 3.179 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110498 434338368 /nfs/dbraw/zinc/33/83/68/434338368.db2.gz KHFLDOCTKIMXIS-HZPDHXFCSA-N 1 0 322.493 3.151 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000389076292 434341483 /nfs/dbraw/zinc/34/14/83/434341483.db2.gz ZABKLOHHFPVWOR-IRUJWGPZSA-N 1 0 304.217 3.121 10 0 DGAERO CO[C@H]1CN(Cc2ccsc2Br)CC[C@H]1C ZINC000388987892 434341988 /nfs/dbraw/zinc/34/19/88/434341988.db2.gz XJVGGULYUKSRJJ-KOLCDFICSA-N 1 0 304.253 3.367 10 0 DGAERO CCN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000389541076 434346380 /nfs/dbraw/zinc/34/63/80/434346380.db2.gz KHZMWNKYBOQXSP-LBPRGKRZSA-N 1 0 304.768 3.125 10 0 DGAERO c1ccc(C[C@@H]2CC[N@H+]2CCOCCOc2ccccc2)cc1 ZINC000437829674 434347160 /nfs/dbraw/zinc/34/71/60/434347160.db2.gz QSLQNPLOZABZMK-IBGZPJMESA-N 1 0 311.425 3.399 10 0 DGAERO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000437839132 434347207 /nfs/dbraw/zinc/34/72/07/434347207.db2.gz LXAXNSYNIRVNHE-BDXSIMOUSA-N 1 0 304.478 3.336 10 0 DGAERO CCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000389223110 434347937 /nfs/dbraw/zinc/34/79/37/434347937.db2.gz GDVAUWRHBVNNAY-JQWIXIFHSA-N 1 0 315.230 3.333 10 0 DGAERO C[C@@H](O)CCC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000450698443 434349172 /nfs/dbraw/zinc/34/91/72/434349172.db2.gz BGDGPQOUJIGPBA-LLVKDONJSA-N 1 0 320.355 3.008 10 0 DGAERO C[C@@]1(CNC(=O)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397930539 434446911 /nfs/dbraw/zinc/44/69/11/434446911.db2.gz DDWVLHUNUQUCBG-FQEVSTJZSA-N 1 0 308.425 3.471 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353749515 434393727 /nfs/dbraw/zinc/39/37/27/434393727.db2.gz LMFKLEKFJPJNJS-RDJZCZTQSA-N 1 0 322.474 3.387 10 0 DGAERO c1ccc(OCCCC[NH2+]CCN2CCc3ccccc3C2)cc1 ZINC000438074177 434394930 /nfs/dbraw/zinc/39/49/30/434394930.db2.gz GALDNJRWVGGOIY-UHFFFAOYSA-N 1 0 324.468 3.494 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCSC[C@H]2CCO)C1 ZINC000438107728 434408517 /nfs/dbraw/zinc/40/85/17/434408517.db2.gz WGGNNMRQNYFXPO-KSZLIROESA-N 1 0 305.487 3.297 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000394987767 434411644 /nfs/dbraw/zinc/41/16/44/434411644.db2.gz VKNFJYWGPBXPQY-LBPRGKRZSA-N 1 0 315.230 3.162 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1csc(Br)c1 ZINC000395192322 434414954 /nfs/dbraw/zinc/41/49/54/434414954.db2.gz IYMAOFKESAANLW-WDEREUQCSA-N 1 0 304.253 3.103 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000397780180 434440220 /nfs/dbraw/zinc/44/02/20/434440220.db2.gz VMBOTAXEJFTARJ-GVRJEKJASA-N 1 0 308.466 3.410 10 0 DGAERO O[C@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)COc1ccc(Cl)cc1Cl ZINC000397743972 434441419 /nfs/dbraw/zinc/44/14/19/434441419.db2.gz IJMGLABKWUVSCX-LYIQGSDWSA-N 1 0 316.228 3.121 10 0 DGAERO Brc1cc2c(cc1C[NH2+][C@@H]1C[C@H]3C[C@H]3C1)OCO2 ZINC000397655405 434441779 /nfs/dbraw/zinc/44/17/79/434441779.db2.gz GQNXORHBKPVNPD-DOFRTFSJSA-N 1 0 310.191 3.066 10 0 DGAERO Cc1ccc(C[NH2+][C@@](C)(CO)C(C)C)c(Br)c1 ZINC000398540015 434462779 /nfs/dbraw/zinc/46/27/79/434462779.db2.gz KKUTXQGVGQKUOG-AWEZNQCLSA-N 1 0 300.240 3.254 10 0 DGAERO CSCc1cccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)c1 ZINC000438358726 434463568 /nfs/dbraw/zinc/46/35/68/434463568.db2.gz QJRGDCQSXHWHJF-UHFFFAOYSA-N 1 0 324.453 3.420 10 0 DGAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360030079 434484210 /nfs/dbraw/zinc/48/42/10/434484210.db2.gz UAPODIZFBSPPKU-DOTOQJQBSA-N 1 0 317.477 3.223 10 0 DGAERO CC(C)OCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400488349 434485545 /nfs/dbraw/zinc/48/55/45/434485545.db2.gz YGTUTDUBNWLXEQ-GJZGRUSLSA-N 1 0 314.470 3.037 10 0 DGAERO COCC[C@@H]1CCCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000329838292 434486069 /nfs/dbraw/zinc/48/60/69/434486069.db2.gz NIQNTGNQDDCREH-AWEZNQCLSA-N 1 0 307.438 3.366 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438473527 434488739 /nfs/dbraw/zinc/48/87/39/434488739.db2.gz DXYMJMNPKSMTTK-HZSPNIEDSA-N 1 0 320.399 3.346 10 0 DGAERO C[C@H](NCc1ccccc1OCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400748899 434489414 /nfs/dbraw/zinc/48/94/14/434489414.db2.gz UZVVWCHAMTVYTI-QFBILLFUSA-N 1 0 310.441 3.496 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCS1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400736259 434489935 /nfs/dbraw/zinc/48/99/35/434489935.db2.gz RTUCPFLCGCRJNO-IHRRRGAJSA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)SCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400758081 434491889 /nfs/dbraw/zinc/49/18/89/434491889.db2.gz XMFQMOXSTXTFRL-ZIAGYGMSSA-N 1 0 316.511 3.363 10 0 DGAERO C[C@@H](O)CC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000450940495 434495359 /nfs/dbraw/zinc/49/53/59/434495359.db2.gz OBQNJTDNNOSUDC-BXUZGUMPSA-N 1 0 305.315 3.347 10 0 DGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cccc(Cl)c1Cl ZINC000401655928 434497807 /nfs/dbraw/zinc/49/78/07/434497807.db2.gz JMMSHNSPGVLXNZ-LBPRGKRZSA-N 1 0 313.228 3.398 10 0 DGAERO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)O1 ZINC000398059681 434450527 /nfs/dbraw/zinc/45/05/27/434450527.db2.gz FMXUCLWGMWBVBF-ONGXEEELSA-N 1 0 302.187 3.245 10 0 DGAERO CCO[C@@H]1C[C@](CO)([NH2+]C2CC(c3ccc(F)cc3)C2)C1(C)C ZINC000438328701 434454598 /nfs/dbraw/zinc/45/45/98/434454598.db2.gz NXLWPDPMUKSSOQ-WIOJKLDJSA-N 1 0 321.436 3.227 10 0 DGAERO Cc1cc(F)cc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000329681742 434455624 /nfs/dbraw/zinc/45/56/24/434455624.db2.gz SCFGZPWGHZGTKT-RHSMWYFYSA-N 1 0 317.364 3.110 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CS1 ZINC000398092753 434457148 /nfs/dbraw/zinc/45/71/48/434457148.db2.gz JTNJTNGLYSHEFD-MVJTYMMSSA-N 1 0 304.503 3.381 10 0 DGAERO c1cncc(COc2ccc(C[N@@H+]3CCOCC4(CC4)C3)cc2)c1 ZINC000360090209 434513836 /nfs/dbraw/zinc/51/38/36/434513836.db2.gz VTCZHJBAZNYEQP-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000523451485 294947546 /nfs/dbraw/zinc/94/75/46/294947546.db2.gz GCNDBEMVOCKDQX-INIZCTEOSA-N 1 0 317.477 3.272 10 0 DGAERO C[C@H](O)CC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000451065686 434552281 /nfs/dbraw/zinc/55/22/81/434552281.db2.gz RVJUJXRTDSJDDL-GXTWGEPZSA-N 1 0 312.251 3.084 10 0 DGAERO CC[N@H+](CCOC[C@H]1CCCO1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000525488529 295017722 /nfs/dbraw/zinc/01/77/22/295017722.db2.gz VTVVIKYYHRIGIV-QFBILLFUSA-N 1 0 321.461 3.144 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2n[nH]cc2Br)CC(C)(C)C1 ZINC000525709414 295027428 /nfs/dbraw/zinc/02/74/28/295027428.db2.gz ZPAAAQQBKMQFOA-NXEZZACHSA-N 1 0 300.244 3.477 10 0 DGAERO O=C(C[N@@H+]1CCC2(C1)CCCCC2)NCc1cc(F)cc(F)c1 ZINC000525786316 295032762 /nfs/dbraw/zinc/03/27/62/295032762.db2.gz PMSFGCCBVWTPHF-UHFFFAOYSA-N 1 0 322.399 3.237 10 0 DGAERO CCCOc1ccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000526002397 295049882 /nfs/dbraw/zinc/04/98/82/295049882.db2.gz SCKXMNOEFHIHCJ-IBGZPJMESA-N 1 0 319.445 3.245 10 0 DGAERO Cc1nc(C)c(C[NH2+]CC[C@@H]2COc3ccccc3O2)s1 ZINC000360272396 434563594 /nfs/dbraw/zinc/56/35/94/434563594.db2.gz BYRCOGNEIHWMFM-CYBMUJFWSA-N 1 0 304.415 3.080 10 0 DGAERO c1nc(C2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)c[nH]1 ZINC000527075867 295075926 /nfs/dbraw/zinc/07/59/26/295075926.db2.gz PFZBJSPASXSLNB-UHFFFAOYSA-N 1 0 321.428 3.034 10 0 DGAERO COC(=O)C(C)(C)CC[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000527510287 295099838 /nfs/dbraw/zinc/09/98/38/295099838.db2.gz OHTIEBPAHTWTEC-UHFFFAOYSA-N 1 0 317.429 3.374 10 0 DGAERO Brc1sccc1CNCCC[NH+]1CCCCC1 ZINC000527633535 295107088 /nfs/dbraw/zinc/10/70/88/295107088.db2.gz VCJAKOMVVFKPPV-UHFFFAOYSA-N 1 0 317.296 3.476 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NCc2ccsc2Br)C1 ZINC000527670397 295113029 /nfs/dbraw/zinc/11/30/29/295113029.db2.gz OBRHWMMLZSZTQL-NWDGAFQWSA-N 1 0 317.296 3.473 10 0 DGAERO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527691755 295116279 /nfs/dbraw/zinc/11/62/79/295116279.db2.gz NVNQTPMJXLVDNS-AMIZOPFISA-N 1 0 320.177 3.384 10 0 DGAERO Fc1c(Br)ccc(C[NH2+]CC2=CCOCC2)c1F ZINC000527713811 295119553 /nfs/dbraw/zinc/11/95/53/295119553.db2.gz TWIPKLWSZJXHER-UHFFFAOYSA-N 1 0 318.161 3.164 10 0 DGAERO c1cc(C[NH2+]CC[C@@H]2CCCOC2)n(CCc2ccccc2)n1 ZINC000527735570 295122796 /nfs/dbraw/zinc/12/27/96/295122796.db2.gz DUSBHRWBZSGNNQ-SFHVURJKSA-N 1 0 313.445 3.032 10 0 DGAERO CC(=O)N(c1nc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cs1)C1CC1 ZINC000527740543 295123537 /nfs/dbraw/zinc/12/35/37/295123537.db2.gz UGWVPAQNJZSWDC-HZSPNIEDSA-N 1 0 319.474 3.184 10 0 DGAERO CC(=O)N(c1nc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cs1)C1CC1 ZINC000527740545 295123581 /nfs/dbraw/zinc/12/35/81/295123581.db2.gz UGWVPAQNJZSWDC-MCIONIFRSA-N 1 0 319.474 3.184 10 0 DGAERO Brc1ccsc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527740817 295123981 /nfs/dbraw/zinc/12/39/81/295123981.db2.gz WEZMLBQQTILLSD-JTQLQIEISA-N 1 0 304.253 3.417 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527810088 295134713 /nfs/dbraw/zinc/13/47/13/295134713.db2.gz USTDGKLDESLSEN-SFHVURJKSA-N 1 0 310.445 3.183 10 0 DGAERO c1c[nH]c([C@@H](NC[C@H]2CC[N@@H+]2C2CCCCC2)c2ccccc2)n1 ZINC000527945495 295155237 /nfs/dbraw/zinc/15/52/37/295155237.db2.gz GOQPTTPEQOUTBW-MOPGFXCFSA-N 1 0 324.472 3.496 10 0 DGAERO c1nc([C@H](NC[C@H]2CC[N@@H+]2C2CCCC2)C2CCCCC2)n[nH]1 ZINC000527999143 295163379 /nfs/dbraw/zinc/16/33/79/295163379.db2.gz FNROHDHLAWJJNN-IAGOWNOFSA-N 1 0 317.481 3.033 10 0 DGAERO CCn1nncc1C[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000459388151 434576551 /nfs/dbraw/zinc/57/65/51/434576551.db2.gz OAKXOZJHGMFIIB-MRXNPFEDSA-N 1 0 302.422 3.184 10 0 DGAERO Brc1ccccc1C[C@@H]([NH2+]CC1COC1)C1CC1 ZINC000528024168 295168561 /nfs/dbraw/zinc/16/85/61/295168561.db2.gz BZRKKZDBWYFMGG-OAHLLOKOSA-N 1 0 310.235 3.006 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]CC1COC1)CCCC2 ZINC000528030510 295169150 /nfs/dbraw/zinc/16/91/50/295169150.db2.gz MNXULRGUTFOOSE-HNNXBMFYSA-N 1 0 310.235 3.453 10 0 DGAERO CCn1nncc1C[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000459395738 434575413 /nfs/dbraw/zinc/57/54/13/434575413.db2.gz ZAFJVWQYZLDGBX-INIZCTEOSA-N 1 0 320.412 3.020 10 0 DGAERO CC(=O)c1ccc2c(c1)CCN(CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000371045136 434638003 /nfs/dbraw/zinc/63/80/03/434638003.db2.gz TXZILRGGAZFMOS-HXUWFJFHSA-N 1 0 314.473 3.164 10 0 DGAERO Brc1ccc(-n2cc(C[NH2+][C@H]3CC34CC4)cn2)cc1 ZINC000424185502 434649627 /nfs/dbraw/zinc/64/96/27/434649627.db2.gz PSULIYVROQKHET-AWEZNQCLSA-N 1 0 318.218 3.277 10 0 DGAERO Cc1csc(NC2CC[NH+](Cc3c(C)noc3C)CC2)n1 ZINC000371204199 434652880 /nfs/dbraw/zinc/65/28/80/434652880.db2.gz GGNOTCCHYWQZPO-UHFFFAOYSA-N 1 0 306.435 3.133 10 0 DGAERO c1cncc([C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C2CCC2)c1 ZINC000360644494 434658085 /nfs/dbraw/zinc/65/80/85/434658085.db2.gz ANDRUJVKVIXTRA-SFHVURJKSA-N 1 0 308.429 3.423 10 0 DGAERO COc1ccc([C@H](CO)C[NH2+][C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000459728251 434679024 /nfs/dbraw/zinc/67/90/24/434679024.db2.gz GDEQAWDCQFCVCO-YTQUADARSA-N 1 0 303.446 3.330 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)NC(C)(C)c2cccc(F)c2)CC1 ZINC000460214494 434748012 /nfs/dbraw/zinc/74/80/12/434748012.db2.gz HSKWRFHUQRAJGU-UHFFFAOYSA-N 1 0 319.424 3.012 10 0 DGAERO Brc1ccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459799844 434724800 /nfs/dbraw/zinc/72/48/00/434724800.db2.gz YNKITKXDNNDDCD-AAEUAGOBSA-N 1 0 314.248 3.018 10 0 DGAERO C[N@H+](CCCO)CCOc1ccc(Oc2ccccc2)cc1 ZINC000440938635 434756586 /nfs/dbraw/zinc/75/65/86/434756586.db2.gz ALOPUNKRMABMPD-UHFFFAOYSA-N 1 0 301.386 3.172 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2oc3ccccc3c2C)CCOCC1 ZINC000453109912 434803680 /nfs/dbraw/zinc/80/36/80/434803680.db2.gz BLTOBZCWOJETKL-AWEZNQCLSA-N 1 0 303.402 3.415 10 0 DGAERO COC1([C@H](C)[NH2+]CC2(c3ccccc3C)CC2)CCOCC1 ZINC000453089617 434797078 /nfs/dbraw/zinc/79/70/78/434797078.db2.gz KESMEELCKRNEBR-INIZCTEOSA-N 1 0 303.446 3.200 10 0 DGAERO COC1([C@H](C)[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000453148653 434816186 /nfs/dbraw/zinc/81/61/86/434816186.db2.gz QLTZZDWNIPLPFH-RYQLBKOJSA-N 1 0 303.446 3.496 10 0 DGAERO COC1([C@@H](C)[NH2+][C@H]2C[C@H](c3ccccc3F)C2)CCOCC1 ZINC000453232228 434834893 /nfs/dbraw/zinc/83/48/93/434834893.db2.gz YHMBTGGFHZQOBF-RBSFLKMASA-N 1 0 307.409 3.245 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]Cc1nc(C)c(Br)s1 ZINC000453267509 434845135 /nfs/dbraw/zinc/84/51/35/434845135.db2.gz MSHUHYFCPIMZGP-MRVPVSSYSA-N 1 0 307.257 3.117 10 0 DGAERO CC(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000553546879 434894993 /nfs/dbraw/zinc/89/49/93/434894993.db2.gz RQAMBMWRCLCNKF-IBGZPJMESA-N 1 0 302.462 3.198 10 0 DGAERO c1ccc(COC2CC([NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)C2)cc1 ZINC000491863204 434871905 /nfs/dbraw/zinc/87/19/05/434871905.db2.gz DSWNBAGTYIDJGV-ADXGEFSYSA-N 1 0 301.430 3.281 10 0 DGAERO COc1ccc(F)c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000521161624 434872788 /nfs/dbraw/zinc/87/27/88/434872788.db2.gz KMHMIWKBBCWONZ-OAHLLOKOSA-N 1 0 321.440 3.322 10 0 DGAERO O[C@@H]1CC[N@H+](Cc2cccc(N[C@H]3CC[C@@H]3C3CCC3)c2)C1 ZINC000462878344 434935959 /nfs/dbraw/zinc/93/59/59/434935959.db2.gz RDAWBCNRGLOCDA-QRVBRYPASA-N 1 0 300.446 3.244 10 0 DGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCCC2CC2)C1 ZINC000522973247 434936764 /nfs/dbraw/zinc/93/67/64/434936764.db2.gz ORJZMUNNQANTTI-QAPCUYQASA-N 1 0 315.461 3.311 10 0 DGAERO C=Cc1ccc(CC[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000462907259 434937224 /nfs/dbraw/zinc/93/72/24/434937224.db2.gz SKUIBTHTMWHAGL-UHFFFAOYSA-N 1 0 320.234 3.158 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000523408130 434946720 /nfs/dbraw/zinc/94/67/20/434946720.db2.gz GKIXDIIDZWMXTL-WCXIOVBPSA-N 1 0 302.462 3.476 10 0 DGAERO CC[N@H+](CCNCc1ccc(C(=O)OC(C)(C)C)cc1)C(C)C ZINC000462799904 434929196 /nfs/dbraw/zinc/92/91/96/434929196.db2.gz ZKCGBOILYPMAHW-UHFFFAOYSA-N 1 0 320.477 3.462 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000462798645 434929290 /nfs/dbraw/zinc/92/92/90/434929290.db2.gz RVJQDQTUCOJLLO-NVXWUHKLSA-N 1 0 319.445 3.283 10 0 DGAERO CCc1[nH+]c2ccccc2c(NCc2nnc3ccccn32)c1C ZINC000554488171 434929428 /nfs/dbraw/zinc/92/94/28/434929428.db2.gz HJLSVVKQJLAFPB-UHFFFAOYSA-N 1 0 317.396 3.182 10 0 DGAERO c1cc(-c2noc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)n2)cs1 ZINC000531104161 435071523 /nfs/dbraw/zinc/07/15/23/435071523.db2.gz KMMNFOLNUDXXSF-INIZCTEOSA-N 1 0 319.430 3.191 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000466407196 435077074 /nfs/dbraw/zinc/07/70/74/435077074.db2.gz AIDBTZDDWJHHLR-TVKQPGBESA-N 1 0 316.489 3.300 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[C@H]2C)CC1 ZINC000466691940 435087356 /nfs/dbraw/zinc/08/73/56/435087356.db2.gz XLWPXZSGSCRBEK-WBVHZDCISA-N 1 0 309.498 3.186 10 0 DGAERO Cc1cc(CC[NH2+][C@@H](COCc2ccccc2)C(C)C)on1 ZINC000556920565 435039169 /nfs/dbraw/zinc/03/91/69/435039169.db2.gz NBHSIDWJNYMSAF-SFHVURJKSA-N 1 0 302.418 3.357 10 0 DGAERO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000492815171 435055071 /nfs/dbraw/zinc/05/50/71/435055071.db2.gz CXNGIAABWQGTLY-UKRRQHHQSA-N 1 0 318.417 3.302 10 0 DGAERO c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]3CCOC3)C1)CO2 ZINC000467357062 435118466 /nfs/dbraw/zinc/11/84/66/435118466.db2.gz WIWFISRHLZSHSX-OWLYRPNTSA-N 1 0 301.430 3.175 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)cc1 ZINC000467459032 435122530 /nfs/dbraw/zinc/12/25/30/435122530.db2.gz ZDRFWHRQSZFWHW-QAPCUYQASA-N 1 0 305.462 3.405 10 0 DGAERO Cc1csc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)n1 ZINC000532918100 435198709 /nfs/dbraw/zinc/19/87/09/435198709.db2.gz ZMSVYCHEBMUNCE-UBHSHLNASA-N 1 0 307.463 3.291 10 0 DGAERO c1nc(-c2ccncc2)sc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000561564890 435224925 /nfs/dbraw/zinc/22/49/25/435224925.db2.gz OHYFHTALLMPBLJ-CQSZACIVSA-N 1 0 311.414 3.095 10 0 DGAERO CO[C@@]1(C)CCC[N@H+](Cc2nnc(-c3cc(C)oc3C)o2)CC1 ZINC000584028646 435267838 /nfs/dbraw/zinc/26/78/38/435267838.db2.gz HMINABDIGFTSJA-KRWDZBQOSA-N 1 0 319.405 3.337 10 0 DGAERO C[N@H+](CCOc1c(Cl)cccc1Cl)C[C@H]1CCC[C@H]1O ZINC000534381247 435284826 /nfs/dbraw/zinc/28/48/26/435284826.db2.gz RAXXBGPNNPUFFH-BXUZGUMPSA-N 1 0 318.244 3.465 10 0 DGAERO C[N@H+](CCOc1c(Cl)cccc1Cl)C[C@@H]1CCC[C@H]1O ZINC000534381250 435285375 /nfs/dbraw/zinc/28/53/75/435285375.db2.gz RAXXBGPNNPUFFH-SMDDNHRTSA-N 1 0 318.244 3.465 10 0 DGAERO Cc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)nc2ccccc12 ZINC000477963522 435286775 /nfs/dbraw/zinc/28/67/75/435286775.db2.gz HLQARLDHKGDUTI-UHFFFAOYSA-N 1 0 323.440 3.290 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478233859 435293515 /nfs/dbraw/zinc/29/35/15/435293515.db2.gz OMOYQKCQFJVUMU-BPQIPLTHSA-N 1 0 318.436 3.452 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC2[C@H](C)CCC[C@H]2C)CC1 ZINC000478513916 435302934 /nfs/dbraw/zinc/30/29/34/435302934.db2.gz CZWDWJQTZFOOII-HUUCEWRRSA-N 1 0 309.498 3.232 10 0 DGAERO CN(CC1CC1)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511875454 435334519 /nfs/dbraw/zinc/33/45/19/435334519.db2.gz SYFULVVKOWRBTE-QRVBRYPASA-N 1 0 312.457 3.123 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@H](C)C2CCCCC2)CC1 ZINC000511854845 435334934 /nfs/dbraw/zinc/33/49/34/435334934.db2.gz SPMLNFBUYIKBHD-MRXNPFEDSA-N 1 0 307.482 3.249 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000481125706 435412018 /nfs/dbraw/zinc/41/20/18/435412018.db2.gz LPNFGOGQLGLGKR-TZMCWYRMSA-N 1 0 318.417 3.158 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC(C)(C)N1CCOCC1 ZINC000513026499 435374066 /nfs/dbraw/zinc/37/40/66/435374066.db2.gz RVEMTJKALCOQCC-QINSGFPZSA-N 1 0 322.880 3.444 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc2c1OCC2 ZINC000482168903 435456464 /nfs/dbraw/zinc/45/64/64/435456464.db2.gz IHTYKFKHZRQRBC-OALUTQOASA-N 1 0 315.457 3.303 10 0 DGAERO C[C@@H](F)CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000515054773 435458083 /nfs/dbraw/zinc/45/80/83/435458083.db2.gz HSGHHWGMJLAXHX-MWLCHTKSSA-N 1 0 310.196 3.071 10 0 DGAERO Cc1c2cc(F)ccc2sc1C(=O)N(C)CCC[NH+](C)C ZINC000537215745 435432450 /nfs/dbraw/zinc/43/24/50/435432450.db2.gz WXGPSOPFBAOVLJ-UHFFFAOYSA-N 1 0 308.422 3.373 10 0 DGAERO CCC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000537222699 435432983 /nfs/dbraw/zinc/43/29/83/435432983.db2.gz BDVWNSSKNUMXCK-CQSZACIVSA-N 1 0 301.352 3.483 10 0 DGAERO CC[C@H]([NH2+]CCc1ccccc1Br)[C@H]1CCOC1 ZINC000481710513 435439042 /nfs/dbraw/zinc/43/90/42/435439042.db2.gz COQXUCRISQOQBZ-ZFWWWQNUSA-N 1 0 312.251 3.396 10 0 DGAERO COC[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000538276358 435489653 /nfs/dbraw/zinc/48/96/53/435489653.db2.gz PTXHSXNPWCWIPR-SFHVURJKSA-N 1 0 315.388 3.280 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cccc(Nc2ccccc2)c1 ZINC000539417434 435553189 /nfs/dbraw/zinc/55/31/89/435553189.db2.gz LKDLJCUOYNCQEW-UHFFFAOYSA-N 1 0 311.429 3.454 10 0 DGAERO CNC(=O)CCC[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000540192854 435592009 /nfs/dbraw/zinc/59/20/09/435592009.db2.gz PRNBQWHLFOHWBE-GOSISDBHSA-N 1 0 302.462 3.294 10 0 DGAERO COC[C@@H](O)C[NH2+][C@H](c1ccccc1C)[C@@H]1CCC[C@H](C)C1 ZINC000539727546 435564556 /nfs/dbraw/zinc/56/45/56/435564556.db2.gz ZUUGORXRDUYUOC-RUENVJTFSA-N 1 0 305.462 3.459 10 0 DGAERO COc1ccc2c(c1)CCC[N@@H+](Cc1cnn3ccccc13)C2 ZINC000539839050 435574259 /nfs/dbraw/zinc/57/42/59/435574259.db2.gz LEXCUCAKXYNCPH-UHFFFAOYSA-N 1 0 307.397 3.291 10 0 DGAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@@H](C)Cc1ccccc1 ZINC000485985392 435586447 /nfs/dbraw/zinc/58/64/47/435586447.db2.gz PESXFCTXIPJVAS-BDXSIMOUSA-N 1 0 316.489 3.348 10 0 DGAERO Brc1ccc2oc(C[NH2+]CCCN3CCC3)cc2c1 ZINC000570060972 435587069 /nfs/dbraw/zinc/58/70/69/435587069.db2.gz ZRFMSZPTXXNESX-UHFFFAOYSA-N 1 0 323.234 3.381 10 0 DGAERO c1c(C2CC2)[nH]nc1N1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000517761352 435612664 /nfs/dbraw/zinc/61/26/64/435612664.db2.gz LYHKJBQONSIEGZ-MRXNPFEDSA-N 1 0 300.450 3.298 10 0 DGAERO CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000486804588 435615129 /nfs/dbraw/zinc/61/51/29/435615129.db2.gz RPTHXZCBTJDUMZ-OAHLLOKOSA-N 1 0 318.417 3.254 10 0 DGAERO CC(C)[C@@H](C(=O)Nc1ccc2c(c1)CCCO2)[NH+]1CCCCC1 ZINC000517814115 435615436 /nfs/dbraw/zinc/61/54/36/435615436.db2.gz KDZTYCHWCUXPNH-SFHVURJKSA-N 1 0 316.445 3.461 10 0 DGAERO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H]3CC[C@H]3C3CCC3)n2)c1 ZINC000570698550 435642272 /nfs/dbraw/zinc/64/22/72/435642272.db2.gz JERRKZRGQPHKJE-QEJZJMRPSA-N 1 0 311.433 3.404 10 0 DGAERO Cc1cc(CC[NH2+]Cc2ccc(C)cc2-c2ccnn2C)on1 ZINC000519657802 435697137 /nfs/dbraw/zinc/69/71/37/435697137.db2.gz YXPUHDNSFNRNTK-UHFFFAOYSA-N 1 0 310.401 3.024 10 0 DGAERO Cc1cc(CC[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)on1 ZINC000571270785 435692660 /nfs/dbraw/zinc/69/26/60/435692660.db2.gz DQFFWICTRYTZRT-CYBMUJFWSA-N 1 0 302.374 3.038 10 0 DGAERO CC(C)(C)OC(=O)CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491054485 435699551 /nfs/dbraw/zinc/69/95/51/435699551.db2.gz CCPXZOPUXVEZAP-KRWDZBQOSA-N 1 0 324.509 3.306 10 0 DGAERO CN1CC[NH+](Cc2ccc(N[C@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000548884930 435724923 /nfs/dbraw/zinc/72/49/23/435724923.db2.gz HGJHBHXXOJGDRW-UXHICEINSA-N 1 0 313.489 3.425 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000548914702 435728837 /nfs/dbraw/zinc/72/88/37/435728837.db2.gz ZLYGJPSLMVNWNU-UHFFFAOYSA-N 1 0 317.477 3.481 10 0 DGAERO CC[N@H+](CCN1CCCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000519796642 435709702 /nfs/dbraw/zinc/70/97/02/435709702.db2.gz XCHTWAYZMRVRTD-QGZVFWFLSA-N 1 0 304.478 3.434 10 0 DGAERO Cc1nc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]c1C ZINC000572258030 435802463 /nfs/dbraw/zinc/80/24/63/435802463.db2.gz HNHMQJUSYOUAEH-YQQQUEKLSA-N 1 0 324.472 3.312 10 0 DGAERO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551927564 435860800 /nfs/dbraw/zinc/86/08/00/435860800.db2.gz ADZSKVYYPCVLAS-SMDDNHRTSA-N 1 0 303.431 3.429 10 0 DGAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293992143 300630192 /nfs/dbraw/zinc/63/01/92/300630192.db2.gz CANHMFJORJYXKV-SZEHBUNVSA-N 1 0 302.237 3.265 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]CC1(C)OCCCO1)CCCO2 ZINC000190664218 301443451 /nfs/dbraw/zinc/44/34/51/301443451.db2.gz FAKRIMLCSQWBLR-INIZCTEOSA-N 1 0 305.418 3.260 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccccc1 ZINC000176529836 302135493 /nfs/dbraw/zinc/13/54/93/302135493.db2.gz OHUTVOKFXSOEBX-IBGZPJMESA-N 1 0 308.425 3.200 10 0 DGAERO C[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CS(C)(=O)=O ZINC000176958335 312778179 /nfs/dbraw/zinc/77/81/79/312778179.db2.gz SLBKKJSXSWAHKB-NHYWBVRUSA-N 1 0 315.866 3.061 10 0 DGAERO c1cc2c(cccc2N2CC[NH+](CC[C@H]3CCCCO3)CC2)[nH]1 ZINC000528761541 313076495 /nfs/dbraw/zinc/07/64/95/313076495.db2.gz JWZGOZQDPKABEZ-MRXNPFEDSA-N 1 0 313.445 3.249 10 0 DGAERO CCOC[C@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000529533487 313219517 /nfs/dbraw/zinc/21/95/17/313219517.db2.gz WYZKGRQPHNJQHQ-JTQLQIEISA-N 1 0 304.253 3.369 10 0 DGAERO Brc1cccc2c1CC[C@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC000530224169 313342997 /nfs/dbraw/zinc/34/29/97/313342997.db2.gz VAKSGMZXMCNJTQ-CABCVRRESA-N 1 0 321.262 3.311 10 0 DGAERO c1ccc(OCc2cccnc2)c(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530244758 313347011 /nfs/dbraw/zinc/34/70/11/313347011.db2.gz NHCGTHKWYPTXRW-LJQANCHMSA-N 1 0 323.440 3.035 10 0 DGAERO c1nc2c([nH]1)[C@H](c1ccc(-c3cnc(C4CC4)o3)cc1)[NH2+]CC2 ZINC000530252033 313348822 /nfs/dbraw/zinc/34/88/22/313348822.db2.gz XGOZIQNTGIUAPK-INIZCTEOSA-N 1 0 306.369 3.177 10 0 DGAERO CC(C)C[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531677770 313479702 /nfs/dbraw/zinc/47/97/02/313479702.db2.gz VYQWQVMZMRFXBT-HZPDHXFCSA-N 1 0 309.523 3.061 10 0 DGAERO COc1cc(F)c([C@@H](C)[NH2+]CCc2ccccc2O)cc1OC ZINC000531961747 313505710 /nfs/dbraw/zinc/50/57/10/313505710.db2.gz DKIRFKZNQIRNOK-GFCCVEGCSA-N 1 0 319.376 3.442 10 0 DGAERO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1C[C@H]1C ZINC000537916969 313839285 /nfs/dbraw/zinc/83/92/85/313839285.db2.gz DPRJNAGTPRGNQZ-NFAWXSAZSA-N 1 0 308.853 3.323 10 0 DGAERO Fc1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)ccc1-n1cncn1 ZINC000538726796 313880160 /nfs/dbraw/zinc/88/01/60/313880160.db2.gz YHJXYLNCYGKTLE-GJZGRUSLSA-N 1 0 300.381 3.028 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000539419488 313911825 /nfs/dbraw/zinc/91/18/25/313911825.db2.gz SQLMMBSYOBAMGS-UHFFFAOYSA-N 1 0 313.445 3.024 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000540515849 313963938 /nfs/dbraw/zinc/96/39/38/313963938.db2.gz OVQUVWHYAVPMRA-AWEZNQCLSA-N 1 0 316.367 3.133 10 0 DGAERO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000540575218 313966549 /nfs/dbraw/zinc/96/65/49/313966549.db2.gz QBYMQPFBNKFKGM-SUMWQHHRSA-N 1 0 311.372 3.219 10 0 DGAERO OC[C@@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)Cc1ccco1 ZINC000541232759 314001825 /nfs/dbraw/zinc/00/18/25/314001825.db2.gz JCXIWVKNHIMFRA-BZOOQXSSSA-N 1 0 303.377 3.106 10 0 DGAERO c1ccc(N2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)nc1 ZINC000541986544 314051299 /nfs/dbraw/zinc/05/12/99/314051299.db2.gz LTZOWLXPSCUEEC-KRWDZBQOSA-N 1 0 307.441 3.009 10 0 DGAERO CC[C@H](C)n1ncc(NC(=O)N(C)CCC[NH+](C)C)c1C1CC1 ZINC000542696001 314092211 /nfs/dbraw/zinc/09/22/11/314092211.db2.gz QNASYHUMTASRFB-ZDUSSCGKSA-N 1 0 321.469 3.147 10 0 DGAERO CC(C)CCC[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000543159891 314117131 /nfs/dbraw/zinc/11/71/31/314117131.db2.gz IYBVQZYMAWNRTJ-CQSZACIVSA-N 1 0 316.367 3.128 10 0 DGAERO CC1CC[NH+](CCCNC(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000543305957 314126346 /nfs/dbraw/zinc/12/63/46/314126346.db2.gz DGECLRFOLSVSQS-QGZVFWFLSA-N 1 0 307.482 3.106 10 0 DGAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C/C=C\c1ccccc1 ZINC000543635884 314147267 /nfs/dbraw/zinc/14/72/67/314147267.db2.gz ORCOLYNJMKKZSK-JXMNSVBMSA-N 1 0 315.438 3.152 10 0 DGAERO c1ccc(COc2cccnc2N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000543708726 314151140 /nfs/dbraw/zinc/15/11/40/314151140.db2.gz NHXNXDUYCVLATQ-SFHVURJKSA-N 1 0 323.440 3.335 10 0 DGAERO COC(=O)[C@@H](C1CC1)[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000543843522 314161085 /nfs/dbraw/zinc/16/10/85/314161085.db2.gz TVQAGYGZDRHRBB-QGZVFWFLSA-N 1 0 305.393 3.032 10 0 DGAERO C[N@H+](C[C@@H](O)COc1ccccc1Cl)C[C@H]1CC=CCC1 ZINC000544106536 314173271 /nfs/dbraw/zinc/17/32/71/314173271.db2.gz PABBZBVBMYIEOC-LSDHHAIUSA-N 1 0 309.837 3.368 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000544254242 314182438 /nfs/dbraw/zinc/18/24/38/314182438.db2.gz OZZDKOJRDFGIMT-AEFFLSMTSA-N 1 0 315.461 3.287 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000544384858 314189192 /nfs/dbraw/zinc/18/91/92/314189192.db2.gz FYSKFWXKISOCKR-RBSFLKMASA-N 1 0 301.496 3.148 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000544440456 314193659 /nfs/dbraw/zinc/19/36/59/314193659.db2.gz LQYXKCLWDSMUQB-ZMSDIMECSA-N 1 0 309.498 3.232 10 0 DGAERO Cc1ccccc1[C@@H](NC(=O)N(C)CCC[NH+](C)C)C1CC1 ZINC000544656329 314204464 /nfs/dbraw/zinc/20/44/64/314204464.db2.gz XIEIACJXFSZSOH-KRWDZBQOSA-N 1 0 303.450 3.039 10 0 DGAERO Cc1cccc([C@@H](C)CNC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000546565071 314310960 /nfs/dbraw/zinc/31/09/60/314310960.db2.gz LFRDJAHPTSXZGR-KRWDZBQOSA-N 1 0 315.461 3.050 10 0 DGAERO CC[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)C1CCOCC1 ZINC000560909231 314948049 /nfs/dbraw/zinc/94/80/49/314948049.db2.gz JKTAPGVOBWUSEB-HOTGVXAUSA-N 1 0 305.418 3.011 10 0 DGAERO Cc1ccc(-c2noc(C[N@@H+](CC3CCC3)[C@H](C)CO)n2)cc1 ZINC000563760864 315135923 /nfs/dbraw/zinc/13/59/23/315135923.db2.gz RQKOSIPUVSQTJY-CQSZACIVSA-N 1 0 315.417 3.028 10 0 DGAERO c1cnc(N2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)cn1 ZINC000564772578 315198301 /nfs/dbraw/zinc/19/83/01/315198301.db2.gz XTJSSBKNZMWSAU-UHFFFAOYSA-N 1 0 308.429 3.113 10 0 DGAERO COC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000565692963 315279712 /nfs/dbraw/zinc/27/97/12/315279712.db2.gz QFNYBKHNTYLKDE-QGZVFWFLSA-N 1 0 322.493 3.060 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(C(=O)c2coc3ccc(F)cc23)C1 ZINC000566011193 315303911 /nfs/dbraw/zinc/30/39/11/315303911.db2.gz MJSNFEKLWDQJGQ-CYBMUJFWSA-N 1 0 318.392 3.376 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]CCc3cccnc3)CC23CC3)cc1 ZINC000566216062 315322614 /nfs/dbraw/zinc/32/26/14/315322614.db2.gz KECQZEXUUGPXCJ-HXUWFJFHSA-N 1 0 321.468 3.411 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCSC3)CC23CC3)cc1 ZINC000566215451 315322991 /nfs/dbraw/zinc/32/29/91/315322991.db2.gz DUJVGPIYSXURCN-IAGOWNOFSA-N 1 0 302.487 3.279 10 0 DGAERO CC(=O)c1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)ccc1C ZINC000569119343 315559949 /nfs/dbraw/zinc/55/99/49/315559949.db2.gz WNBJPDGMTUDEGT-COXVUDFISA-N 1 0 300.402 3.057 10 0 DGAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+][C@H]1CC12CCCC2 ZINC000570024805 315619434 /nfs/dbraw/zinc/61/94/34/315619434.db2.gz RTEZCFAEZSMMDK-INIZCTEOSA-N 1 0 311.385 3.228 10 0 DGAERO C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(Br)cn1 ZINC000573061462 315837077 /nfs/dbraw/zinc/83/70/77/315837077.db2.gz WXGMTRVBAKNSOV-NWDGAFQWSA-N 1 0 313.239 3.311 10 0 DGAERO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000574493640 315971367 /nfs/dbraw/zinc/97/13/67/315971367.db2.gz VTPZPGBIUKPGGE-UPJWGTAASA-N 1 0 312.841 3.297 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@H](C)CC(C)(C)C3)[C@H]2C1 ZINC000576069731 316090585 /nfs/dbraw/zinc/09/05/85/316090585.db2.gz ZZDDOIUAJZEJHP-JFMONLCZSA-N 1 0 306.494 3.438 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccc(Br)cc1F ZINC000576077664 316091272 /nfs/dbraw/zinc/09/12/72/316091272.db2.gz YRZAHKNWAKFEDJ-PKFCDNJMSA-N 1 0 315.230 3.189 10 0 DGAERO C[C@H]([NH2+]CCOCC1CCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000576161444 316100871 /nfs/dbraw/zinc/10/08/71/316100871.db2.gz ZIBWBRAKEVMVRJ-ZDUSSCGKSA-N 1 0 302.418 3.039 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]CCOCC2CCC2)cc1OC ZINC000576454744 316132135 /nfs/dbraw/zinc/13/21/35/316132135.db2.gz HLGVNKLKENXSAI-CQSZACIVSA-N 1 0 307.434 3.041 10 0 DGAERO Oc1ccc(Br)c(C[NH2+]CCOCC2CCC2)c1 ZINC000577553092 316247568 /nfs/dbraw/zinc/24/75/68/316247568.db2.gz YBXDDQXPICZDKA-UHFFFAOYSA-N 1 0 314.223 3.061 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C(C)(C)C ZINC000180091605 323220929 /nfs/dbraw/zinc/22/09/29/323220929.db2.gz BRYGQLOVVYLVDL-XJKSGUPXSA-N 1 0 311.491 3.353 10 0 DGAERO C[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CN1CCOCC1 ZINC000180125829 323221918 /nfs/dbraw/zinc/22/19/18/323221918.db2.gz JMYPQRCKYAYGPV-KDOFPFPSSA-N 1 0 322.880 3.349 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)CC2 ZINC000180625456 323234044 /nfs/dbraw/zinc/23/40/44/323234044.db2.gz NMRISANALWZZRH-QLFBSQMISA-N 1 0 304.482 3.350 10 0 DGAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000180657513 323235517 /nfs/dbraw/zinc/23/55/17/323235517.db2.gz MHOKIVQXIBTXHG-BPUTZDHNSA-N 1 0 310.507 3.454 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(F)c(Cl)c1F ZINC000181136781 323246526 /nfs/dbraw/zinc/24/65/26/323246526.db2.gz WUVOWMNSALXATG-JTQLQIEISA-N 1 0 316.779 3.222 10 0 DGAERO C[C@@H](CNC(=O)c1c[nH]c2cc(F)ccc12)[N@@H+]1CCC[C@H](C)C1 ZINC000181135251 323246561 /nfs/dbraw/zinc/24/65/61/323246561.db2.gz YUQLDOFPFHIFRX-STQMWFEESA-N 1 0 317.408 3.157 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c3cc(F)ccc23)C1 ZINC000181190997 323247943 /nfs/dbraw/zinc/24/79/43/323247943.db2.gz SBRXMHUSQDTYGW-CYBMUJFWSA-N 1 0 317.408 3.157 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nccn2CC(C)C)C12CCCC2 ZINC000181810201 323270445 /nfs/dbraw/zinc/27/04/45/323270445.db2.gz XCEVXXGHJMVYLZ-JKSUJKDBSA-N 1 0 305.466 3.367 10 0 DGAERO CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182035829 323280157 /nfs/dbraw/zinc/28/01/57/323280157.db2.gz OXEQZKJRFVKUSC-WMZOPIPTSA-N 1 0 302.462 3.103 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182037968 323281197 /nfs/dbraw/zinc/28/11/97/323281197.db2.gz LSQURJROFVMCNL-IEBWSBKVSA-N 1 0 324.472 3.256 10 0 DGAERO C[C@@H](C[NH2+]CCC(=O)NCc1ccccc1)Cc1ccccc1 ZINC000182057240 323282084 /nfs/dbraw/zinc/28/20/84/323282084.db2.gz MWQRTFISINTVBZ-QGZVFWFLSA-N 1 0 310.441 3.161 10 0 DGAERO C[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)n2C)[C@H]2CCCC[C@H]12 ZINC000182479762 323300807 /nfs/dbraw/zinc/30/08/07/323300807.db2.gz QNRLXMUQHWKHIE-OIISXLGYSA-N 1 0 310.445 3.493 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H]1CCCOc2c(Cl)cccc21)[NH+](C)C ZINC000182566708 323305327 /nfs/dbraw/zinc/30/53/27/323305327.db2.gz HSVVYLDOZDQFON-CABCVRRESA-N 1 0 324.852 3.400 10 0 DGAERO CCc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1CC ZINC000182745349 323310861 /nfs/dbraw/zinc/31/08/61/323310861.db2.gz GDLQLSDWWMSMCX-AWEZNQCLSA-N 1 0 303.450 3.275 10 0 DGAERO CCC[C@H](C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1)[NH+](C)C ZINC000182911439 323316291 /nfs/dbraw/zinc/31/62/91/323316291.db2.gz BSFBZUPFPFIZRY-MRXNPFEDSA-N 1 0 314.433 3.158 10 0 DGAERO C[C@H](O)C1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183038523 323321402 /nfs/dbraw/zinc/32/14/02/323321402.db2.gz BMEVLXDKBZDBBR-AWEZNQCLSA-N 1 0 305.466 3.061 10 0 DGAERO CC[C@H]([NH2+]CCc1ccc(OC)cc1Cl)c1nccn1C ZINC000183123329 323326885 /nfs/dbraw/zinc/32/68/85/323326885.db2.gz KEIOHYRQZWWOFZ-HNNXBMFYSA-N 1 0 307.825 3.366 10 0 DGAERO Cc1ccn(-c2ccccc2C[NH2+][C@H](c2nccn2C)C2CC2)n1 ZINC000183343913 323334649 /nfs/dbraw/zinc/33/46/49/323334649.db2.gz WDUQUCHHWLIIME-SFHVURJKSA-N 1 0 321.428 3.155 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)c1 ZINC000183472483 323339104 /nfs/dbraw/zinc/33/91/04/323339104.db2.gz TZQPIFLFPBEKAO-KRWDZBQOSA-N 1 0 300.446 3.105 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)s1 ZINC000183489757 323339823 /nfs/dbraw/zinc/33/98/23/323339823.db2.gz QRHUOGBAWDECEX-NSHDSACASA-N 1 0 306.479 3.394 10 0 DGAERO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCn1ccnn1 ZINC000184263563 323360348 /nfs/dbraw/zinc/36/03/48/323360348.db2.gz XZLUXHUBXQOCQH-AWEZNQCLSA-N 1 0 324.881 3.482 10 0 DGAERO CCc1ccccc1NC(=O)CN[C@H](CC)c1nccs1 ZINC000185039471 323379663 /nfs/dbraw/zinc/37/96/63/323379663.db2.gz CCHQPVLZSHZZRQ-CYBMUJFWSA-N 1 0 303.431 3.385 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)C1(c2ccccc2)CCCC1 ZINC000185951972 323398652 /nfs/dbraw/zinc/39/86/52/323398652.db2.gz OVUMWKRVKVUFTJ-HNNXBMFYSA-N 1 0 302.462 3.391 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc2c(c1)OCCCO2 ZINC000187842694 323419909 /nfs/dbraw/zinc/41/99/09/323419909.db2.gz LRSSLGMIEXQRIC-HIFRSBDPSA-N 1 0 305.418 3.456 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc2c(c1)OCCCO2 ZINC000187842739 323420410 /nfs/dbraw/zinc/42/04/10/323420410.db2.gz LRSSLGMIEXQRIC-UKRRQHHQSA-N 1 0 305.418 3.456 10 0 DGAERO COC[C@@H]([NH2+]Cc1ccccc1OC1CCC1)C1CCOCC1 ZINC000188206133 323424022 /nfs/dbraw/zinc/42/40/22/323424022.db2.gz GEHMUWZWVBHUMP-GOSISDBHSA-N 1 0 319.445 3.149 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000188537613 323426851 /nfs/dbraw/zinc/42/68/51/323426851.db2.gz LDJIUPYPBVZBQU-JTQLQIEISA-N 1 0 311.223 3.303 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)ccc1F ZINC000191613292 323448816 /nfs/dbraw/zinc/44/88/16/323448816.db2.gz HGTZWWWPTKBCDC-PBHICJAKSA-N 1 0 317.404 3.397 10 0 DGAERO c1cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)n(C2CCCC2)n1 ZINC000351111074 323547222 /nfs/dbraw/zinc/54/72/22/323547222.db2.gz WJFHJLQRZJPEIS-UHFFFAOYSA-N 1 0 320.356 3.363 10 0 DGAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncc(Br)cc2Cl)C1 ZINC000382408137 323620649 /nfs/dbraw/zinc/62/06/49/323620649.db2.gz CEJBQRHYJWXSFR-APPZFPTMSA-N 1 0 304.619 3.037 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384242111 323627968 /nfs/dbraw/zinc/62/79/68/323627968.db2.gz JJSRDBMQGBGQKT-CMPLNLGQSA-N 1 0 311.223 3.084 10 0 DGAERO CC/C=C\C[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000384748412 323629717 /nfs/dbraw/zinc/62/97/17/323629717.db2.gz NPBRKEOLWYAJCB-PLNGDYQASA-N 1 0 300.196 3.219 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000389848215 323663064 /nfs/dbraw/zinc/66/30/64/323663064.db2.gz RZMIZCFJIFQQBL-UFBFGSQYSA-N 1 0 302.205 3.113 10 0 DGAERO O[C@H](C[NH2+][C@@H]1C[C@H]1C1CC1)COc1c(Cl)cccc1Cl ZINC000578187562 323698603 /nfs/dbraw/zinc/69/86/03/323698603.db2.gz IQZVBZUEZKVXIX-UHIISALHSA-N 1 0 316.228 3.121 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000580667573 324024723 /nfs/dbraw/zinc/02/47/23/324024723.db2.gz CITFVRTXNFSOFG-INIZCTEOSA-N 1 0 302.462 3.103 10 0 DGAERO COCC1([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCC1 ZINC000581563412 324131322 /nfs/dbraw/zinc/13/13/22/324131322.db2.gz IDXHJYZTUOPHTC-UHFFFAOYSA-N 1 0 305.418 3.301 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000583373401 324345278 /nfs/dbraw/zinc/34/52/78/324345278.db2.gz XYDUFDUJZFQSSM-SQWLQELKSA-N 1 0 322.399 3.059 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1C ZINC000584290240 332219133 /nfs/dbraw/zinc/21/91/33/332219133.db2.gz NJUVFYYVBORLOT-SJORKVTESA-N 1 0 302.418 3.434 10 0 DGAERO CCC[C@H](CO)[NH2+]CC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000584590859 337373396 /nfs/dbraw/zinc/37/33/96/337373396.db2.gz DHDIFZYYEAYBDP-GOSISDBHSA-N 1 0 318.461 3.423 10 0 DGAERO O=C(Nc1ccc(C[C@H]2CC[NH2+]2)cc1)c1ccc(Cl)cc1 ZINC000584592789 337373627 /nfs/dbraw/zinc/37/36/27/337373627.db2.gz QGTJHIPEHQOXPO-MRXNPFEDSA-N 1 0 300.789 3.497 10 0 DGAERO CCCCCC[C@](C)(O)C[NH2+]CCOc1ccccc1OC ZINC000584626874 337376068 /nfs/dbraw/zinc/37/60/68/337376068.db2.gz GWAWYCAAUHQHRW-SFHVURJKSA-N 1 0 309.450 3.385 10 0 DGAERO COc1ccc(NC(=O)Nc2ccc(CC3C[NH2+]C3)cc2)cc1 ZINC000584648169 337380359 /nfs/dbraw/zinc/38/03/59/337380359.db2.gz ABSQNBOPPFBLSU-UHFFFAOYSA-N 1 0 311.385 3.101 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1cc(Br)ccc1F ZINC000398467931 1177019538 /nfs/dbraw/zinc/01/95/38/1177019538.db2.gz NQDLJVHHJKKTKN-LBPRGKRZSA-N 1 0 304.203 3.229 10 0 DGAERO Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC000085355952 1177644708 /nfs/dbraw/zinc/64/47/08/1177644708.db2.gz CVQVNWGRGOONBB-DGCLKSJQSA-N 1 0 311.223 3.214 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980146 500904684 /nfs/dbraw/zinc/90/46/84/500904684.db2.gz HOOWNPQGTCMDDM-WQUXRXDGSA-N 1 0 316.489 3.038 10 0 DGAERO C[C@H]([NH2+]CCCc1ccccn1)c1ccc([S@@](C)=O)cc1 ZINC000181496608 500927191 /nfs/dbraw/zinc/92/71/91/500927191.db2.gz IMTQPLQFYKMEBQ-LHSJRXKWSA-N 1 0 302.443 3.102 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)C1CCCC1 ZINC000184651690 533820140 /nfs/dbraw/zinc/82/01/40/533820140.db2.gz KQPCKMXYEXDWEP-HNNXBMFYSA-N 1 0 300.446 3.003 10 0 DGAERO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(Br)c1 ZINC000443332054 533826809 /nfs/dbraw/zinc/82/68/09/533826809.db2.gz GMJBBDSAAYGEKC-JMSVASOKSA-N 1 0 312.251 3.430 10 0 DGAERO C[C@@H](O)[C@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000162863883 533843851 /nfs/dbraw/zinc/84/38/51/533843851.db2.gz DUZOIMUGQXOPIV-MNOVXSKESA-N 1 0 304.217 3.075 10 0 DGAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)C2CCCC2)o1 ZINC000172233976 533882816 /nfs/dbraw/zinc/88/28/16/533882816.db2.gz KIRYUZYGJZVUIE-OAHLLOKOSA-N 1 0 321.465 3.240 10 0 DGAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)o1 ZINC000328625614 534052358 /nfs/dbraw/zinc/05/23/58/534052358.db2.gz DIVNEAFRONVWAD-GMLZMKKNSA-N 1 0 315.417 3.146 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c(Br)c1 ZINC000159305302 534065800 /nfs/dbraw/zinc/06/58/00/534065800.db2.gz GVNVTFVWPMSVEQ-UKRRQHHQSA-N 1 0 312.251 3.398 10 0 DGAERO C[C@H](O)C[N@H+](Cc1nc(C2CCCC2)no1)C1CCCCC1 ZINC000152501219 534073035 /nfs/dbraw/zinc/07/30/35/534073035.db2.gz ILQHPTAEQMJXPK-ZDUSSCGKSA-N 1 0 307.438 3.243 10 0 DGAERO OCCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000435133847 534356469 /nfs/dbraw/zinc/35/64/69/534356469.db2.gz DFLPSPRUNMBUEB-UHFFFAOYSA-N 1 0 311.385 3.054 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(OC2CCCC2)CC1 ZINC000156076627 519674160 /nfs/dbraw/zinc/67/41/60/519674160.db2.gz YLSRKRDVUGJAJD-SFHVURJKSA-N 1 0 322.493 3.200 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000157643329 519842979 /nfs/dbraw/zinc/84/29/79/519842979.db2.gz IVSZPFXHWWGPCS-UHFFFAOYSA-N 1 0 311.376 3.208 10 0 DGAERO NC(=O)c1coc(C[NH2+][C@H](c2cccs2)C2CCCC2)c1 ZINC000187705396 534520907 /nfs/dbraw/zinc/52/09/07/534520907.db2.gz GXFGSPZZUIQEHZ-HNNXBMFYSA-N 1 0 304.415 3.461 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](CCC3CCOCC3)C2)n2c1CCCC2 ZINC000433206377 534534931 /nfs/dbraw/zinc/53/49/31/534534931.db2.gz HMGZLPPBCLVMHT-KRWDZBQOSA-N 1 0 317.477 3.216 10 0 DGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157517784 521341777 /nfs/dbraw/zinc/34/17/77/521341777.db2.gz FVNOVKMCJAIRKB-OCCSQVGLSA-N 1 0 322.497 3.290 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2F)[C@H](C)C1 ZINC000156313068 521712443 /nfs/dbraw/zinc/71/24/43/521712443.db2.gz XUTVXEIBYHIPGQ-BXUZGUMPSA-N 1 0 312.816 3.281 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000156377700 521916106 /nfs/dbraw/zinc/91/61/06/521916106.db2.gz OGXAYCDBPMKBOY-OALUTQOASA-N 1 0 308.425 3.282 10 0 DGAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000156997884 522011145 /nfs/dbraw/zinc/01/11/45/522011145.db2.gz ILJGSGUTGLYTNA-HNNXBMFYSA-N 1 0 316.426 3.309 10 0 DGAERO COc1cc([C@@H]2[NH2+]CCn3cccc32)ccc1OCC(C)C ZINC000032500418 522928647 /nfs/dbraw/zinc/92/86/47/522928647.db2.gz GCGCRYKQPOOEJD-SFHVURJKSA-N 1 0 300.402 3.224 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000103291974 523446652 /nfs/dbraw/zinc/44/66/52/523446652.db2.gz GLOBAMYKUBFYGH-AWEZNQCLSA-N 1 0 319.449 3.247 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(C)cc(C)cc3C)[C@H]2C1 ZINC000157890849 523709495 /nfs/dbraw/zinc/70/94/95/523709495.db2.gz RQWKQQIKWJPWLS-NEWSRXKRSA-N 1 0 303.446 3.380 10 0 DGAERO CNC(=O)Cc1nc(C[N@@H+]2CCCC[C@@H]2CCC(C)C)cs1 ZINC000158162985 524075939 /nfs/dbraw/zinc/07/59/39/524075939.db2.gz CONULYDRKPQYEN-OAHLLOKOSA-N 1 0 323.506 3.222 10 0 DGAERO Cc1ccc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])cc1Br ZINC000157089642 524451105 /nfs/dbraw/zinc/45/11/05/524451105.db2.gz FRNGSRZWNFUJIR-DOMZBBRYSA-N 1 0 311.267 3.317 10 0 DGAERO C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccccc1Cl ZINC000156732609 525335054 /nfs/dbraw/zinc/33/50/54/525335054.db2.gz IOBPRZNVRIJECX-LLVKDONJSA-N 1 0 300.789 3.434 10 0 DGAERO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000156072558 526243834 /nfs/dbraw/zinc/24/38/34/526243834.db2.gz MUOONOBUYJMCCF-HNNXBMFYSA-N 1 0 321.852 3.134 10 0 DGAERO O=C(CC1CCCC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188963691 526357806 /nfs/dbraw/zinc/35/78/06/526357806.db2.gz BZRGWNSAGWCWBG-RHSMWYFYSA-N 1 0 322.399 3.107 10 0 DGAERO O=C(c1ccccc1)N1CCC(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000153552611 526791500 /nfs/dbraw/zinc/79/15/00/526791500.db2.gz UEGZGVJIVAVCBG-UHFFFAOYSA-N 1 0 312.457 3.317 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000154789166 527122583 /nfs/dbraw/zinc/12/25/83/527122583.db2.gz QLOZRNAOUKRATQ-CVEARBPZSA-N 1 0 310.482 3.010 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000432493392 527141628 /nfs/dbraw/zinc/14/16/28/527141628.db2.gz LNIBXGGJOQSLEX-OAHLLOKOSA-N 1 0 310.482 3.009 10 0 DGAERO [NH3+]CC1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCC1 ZINC000237789769 527164427 /nfs/dbraw/zinc/16/44/27/527164427.db2.gz PGAWKOYLEQOJCS-UHFFFAOYSA-N 1 0 302.349 3.087 10 0 DGAERO CC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000295036861 527276998 /nfs/dbraw/zinc/27/69/98/527276998.db2.gz WFYJWJZASBZFFA-QGZVFWFLSA-N 1 0 324.428 3.195 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC2([NH3+])CCCCCC2)cc1C ZINC000415371474 527306093 /nfs/dbraw/zinc/30/60/93/527306093.db2.gz GIPJOKMBRWGHQB-UHFFFAOYSA-N 1 0 317.433 3.371 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000157783911 527584184 /nfs/dbraw/zinc/58/41/84/527584184.db2.gz FIQZYFQGMSZIEU-HIFRSBDPSA-N 1 0 322.497 3.148 10 0 DGAERO CCC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C[C@H]1CCCCO1 ZINC000173347343 527885799 /nfs/dbraw/zinc/88/57/99/527885799.db2.gz XUWKONFLQWYKMM-IXDOHACOSA-N 1 0 310.482 3.057 10 0 DGAERO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCn2cc(Br)cn2)C1 ZINC000310960249 528134188 /nfs/dbraw/zinc/13/41/88/528134188.db2.gz BQJYMHIOIYDYGA-DGCLKSJQSA-N 1 0 312.255 3.228 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC12CCC2)CC(C)C ZINC000444870864 528237844 /nfs/dbraw/zinc/23/78/44/528237844.db2.gz HQWITJAQQWPUQT-MRXNPFEDSA-N 1 0 309.498 3.471 10 0 DGAERO CCOc1cc(C[NH2+][C@@H](C)COCc2ccccc2)ccc1O ZINC000297365017 528279776 /nfs/dbraw/zinc/27/97/76/528279776.db2.gz GCMRIDGVUUZORI-HNNXBMFYSA-N 1 0 315.413 3.486 10 0 DGAERO CC(C)Oc1nccnc1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000302030399 528291418 /nfs/dbraw/zinc/29/14/18/528291418.db2.gz MVLAYIRRLOCBEQ-OAHLLOKOSA-N 1 0 318.396 3.118 10 0 DGAERO CC(C)c1nn(C)cc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000435190100 528401623 /nfs/dbraw/zinc/40/16/23/528401623.db2.gz DXZAFDQCKOUUQI-CQSZACIVSA-N 1 0 323.485 3.031 10 0 DGAERO CCOc1ccccc1CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000155559533 528719561 /nfs/dbraw/zinc/71/95/61/528719561.db2.gz AQCHLCSYVSIRCG-SJORKVTESA-N 1 0 318.461 3.042 10 0 DGAERO CCOc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174455570 528743179 /nfs/dbraw/zinc/74/31/79/528743179.db2.gz HDJARLRJMYZGSJ-ZIAGYGMSSA-N 1 0 305.422 3.032 10 0 DGAERO CCOCC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000444651041 528870500 /nfs/dbraw/zinc/87/05/00/528870500.db2.gz FIZSUTOQJFSENQ-HLLBOEOZSA-N 1 0 309.450 3.403 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000157386291 528897569 /nfs/dbraw/zinc/89/75/69/528897569.db2.gz LILSEKIVLIKKTF-OLZOCXBDSA-N 1 0 323.403 3.089 10 0 DGAERO CC1(C)COCCN1CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436240387 529132498 /nfs/dbraw/zinc/13/24/98/529132498.db2.gz QRLMRYFLJNRQKH-MSOLQXFVSA-N 1 0 302.462 3.023 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C(C)(C)O ZINC000292934909 529182055 /nfs/dbraw/zinc/18/20/55/529182055.db2.gz HFNMQILDDNEAEM-GFCCVEGCSA-N 1 0 304.203 3.227 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000473191177 535298949 /nfs/dbraw/zinc/29/89/49/535298949.db2.gz XGHIEGREVPWMRK-HZPDHXFCSA-N 1 0 321.465 3.494 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000466081659 535449083 /nfs/dbraw/zinc/44/90/83/535449083.db2.gz FCACUTSTYNOFTH-QZTJIDSGSA-N 1 0 321.509 3.376 10 0 DGAERO CC[NH2+]C1CCN(c2cc(Br)ccc2F)CC1 ZINC000036752266 535451993 /nfs/dbraw/zinc/45/19/93/535451993.db2.gz OGXHDVJKQUDDOH-UHFFFAOYSA-N 1 0 301.203 3.167 10 0 DGAERO CC[C@@H](CC1CCCCC1)C(=O)NCCNc1cc[nH+]cc1 ZINC000488569291 535737953 /nfs/dbraw/zinc/73/79/53/535737953.db2.gz BYHRDDVPVSVXSX-INIZCTEOSA-N 1 0 303.450 3.028 10 0 DGAERO CCn1nncc1C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000459398698 535928326 /nfs/dbraw/zinc/92/83/26/535928326.db2.gz FRZCNAKQTUSVDP-MRXNPFEDSA-N 1 0 312.442 3.433 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)c(F)c1 ZINC000449421946 536181479 /nfs/dbraw/zinc/18/14/79/536181479.db2.gz MCHDPXGDUXNHKH-RISCZKNCSA-N 1 0 316.214 3.181 10 0 DGAERO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CO)[C@@H]3C)cs2)cc1 ZINC000488719690 536514473 /nfs/dbraw/zinc/51/44/73/536514473.db2.gz ODWJBASVXBWSLL-JSGCOSHPSA-N 1 0 318.442 3.021 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@@H](Cc2ccccc2)OC)cc1 ZINC000449393050 536526509 /nfs/dbraw/zinc/52/65/09/536526509.db2.gz LSSYWLRRDXUBSU-OXJNMPFZSA-N 1 0 313.441 3.474 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000047934934 545686775 /nfs/dbraw/zinc/68/67/75/545686775.db2.gz UNNUZXFVMLLRJW-NEPJUHHUSA-N 1 0 313.392 3.055 10 0 DGAERO Cc1ccc(CCC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000074767331 545726418 /nfs/dbraw/zinc/72/64/18/545726418.db2.gz FADQTLOKFHJCOS-UHFFFAOYSA-N 1 0 300.446 3.014 10 0 DGAERO CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc(Cl)c1OC ZINC000078724830 545751917 /nfs/dbraw/zinc/75/19/17/545751917.db2.gz ASWHEEWSCISGIV-KGLIPLIRSA-N 1 0 313.825 3.140 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Cl)cc1Cl ZINC000079927395 545761277 /nfs/dbraw/zinc/76/12/77/545761277.db2.gz SRXYYBHRVRZDES-GWCFXTLKSA-N 1 0 301.217 3.313 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000082336094 545775441 /nfs/dbraw/zinc/77/54/41/545775441.db2.gz QDBWCQPSXVVCCB-LLVKDONJSA-N 1 0 311.223 3.038 10 0 DGAERO CC(C)n1ncnc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000088588505 545809705 /nfs/dbraw/zinc/80/97/05/545809705.db2.gz CGHXEHVMDRKAAG-UHFFFAOYSA-N 1 0 313.232 3.498 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000089430800 545813033 /nfs/dbraw/zinc/81/30/33/545813033.db2.gz DSBHCFBLKVXNEN-ZYHUDNBSSA-N 1 0 322.206 3.342 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089455982 545814619 /nfs/dbraw/zinc/81/46/19/545814619.db2.gz QFTNTKDLPBOBFC-ZWNOBZJWSA-N 1 0 315.244 3.327 10 0 DGAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1Br ZINC000089449075 545814633 /nfs/dbraw/zinc/81/46/33/545814633.db2.gz MNOPGGLKIRZSNQ-PWSUYJOCSA-N 1 0 311.223 3.071 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455340 545815254 /nfs/dbraw/zinc/81/52/54/545815254.db2.gz MRCFNDNQZBTCKC-PWSUYJOCSA-N 1 0 300.855 3.125 10 0 DGAERO C[C@H](C[NH2+][C@H](c1cccs1)C1CCCC1)N1CCOCC1 ZINC000093371649 545856405 /nfs/dbraw/zinc/85/64/05/545856405.db2.gz GYQHITLMKYOAJQ-PBHICJAKSA-N 1 0 308.491 3.290 10 0 DGAERO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCc1ccccn1 ZINC000123795415 545908309 /nfs/dbraw/zinc/90/83/09/545908309.db2.gz OWDDXGYMLAVCPF-CQSZACIVSA-N 1 0 308.385 3.367 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ncc(Br)s1 ZINC000126425939 545921944 /nfs/dbraw/zinc/92/19/44/545921944.db2.gz FWTQXTFQHNUFOT-IUCAKERBSA-N 1 0 305.241 3.125 10 0 DGAERO CCc1cc(Br)ccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136494087 545982136 /nfs/dbraw/zinc/98/21/36/545982136.db2.gz LPKLUTSIPSDJDW-GFCCVEGCSA-N 1 0 313.239 3.323 10 0 DGAERO FC(F)Oc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000177100493 546119968 /nfs/dbraw/zinc/11/99/68/546119968.db2.gz CMQCNYADWDRUEB-AWEZNQCLSA-N 1 0 307.344 3.149 10 0 DGAERO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000177437208 546121272 /nfs/dbraw/zinc/12/12/72/546121272.db2.gz NGJQUBSBAHFVIB-QWRGUYRKSA-N 1 0 300.805 3.385 10 0 DGAERO CCC[C@@H](C(=O)NCCc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000179175713 546133895 /nfs/dbraw/zinc/13/38/95/546133895.db2.gz HSKYDHIWVNJGAX-AWEZNQCLSA-N 1 0 316.367 3.094 10 0 DGAERO NC(=O)[C@H]1CCC[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000180238835 546143713 /nfs/dbraw/zinc/14/37/13/546143713.db2.gz IKJBUZPJKGKDNX-RBUKOAKNSA-N 1 0 322.452 3.452 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000181550177 546157901 /nfs/dbraw/zinc/15/79/01/546157901.db2.gz CPIZZOORIRDXEQ-LSDHHAIUSA-N 1 0 300.446 3.435 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000181608387 546158237 /nfs/dbraw/zinc/15/82/37/546158237.db2.gz QPCVPZDQEZYBSW-MNOVXSKESA-N 1 0 323.380 3.037 10 0 DGAERO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000182956733 546169203 /nfs/dbraw/zinc/16/92/03/546169203.db2.gz BCKLGASQAHSEKH-ZETCQYMHSA-N 1 0 312.826 3.031 10 0 DGAERO CC[C@H]1CCC[C@@H](C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)C1 ZINC000182933522 546169249 /nfs/dbraw/zinc/16/92/49/546169249.db2.gz RYXVNUDUTAPAAS-DLBZAZTESA-N 1 0 320.481 3.102 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183205595 546172547 /nfs/dbraw/zinc/17/25/47/546172547.db2.gz LAHRLXBRFGAVPW-HUBLWGQQSA-N 1 0 310.825 3.133 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183192084 546173502 /nfs/dbraw/zinc/17/35/02/546173502.db2.gz NRSRTGDABZGFGT-HZPDHXFCSA-N 1 0 304.434 3.179 10 0 DGAERO CC[NH+](CC)CCN(CCOC)Cc1cccc2cnccc21 ZINC000183264745 546174397 /nfs/dbraw/zinc/17/43/97/546174397.db2.gz FWCISMBQPACRBJ-UHFFFAOYSA-N 1 0 315.461 3.025 10 0 DGAERO COC[C@H]([NH2+]Cc1ccc(OCC(C)C)cc1)C1CCOCC1 ZINC000187803524 546201883 /nfs/dbraw/zinc/20/18/83/546201883.db2.gz DLOIPCVKRXMZLU-IBGZPJMESA-N 1 0 321.461 3.253 10 0 DGAERO FC(F)COc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000188413866 546205305 /nfs/dbraw/zinc/20/53/05/546205305.db2.gz NQRFMUZXHYWMIW-HNNXBMFYSA-N 1 0 321.371 3.192 10 0 DGAERO COc1cccc(C[NH2+]CCOc2ccc(F)cc2F)c1F ZINC000192681017 546235517 /nfs/dbraw/zinc/23/55/17/546235517.db2.gz YJNUCRAWJMLYRP-UHFFFAOYSA-N 1 0 311.303 3.281 10 0 DGAERO COc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1F ZINC000192664588 546235756 /nfs/dbraw/zinc/23/57/56/546235756.db2.gz GBQCHWVQACXGGB-NSHDSACASA-N 1 0 303.333 3.414 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Br)cs1 ZINC000226393506 546267791 /nfs/dbraw/zinc/26/77/91/546267791.db2.gz VWXVKZUNIASEIZ-KOLCDFICSA-N 1 0 303.269 3.255 10 0 DGAERO COC[C@H](C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)OC ZINC000227716275 546268535 /nfs/dbraw/zinc/26/85/35/546268535.db2.gz ZFKDHBYJIRDBGC-BDAKNGLRSA-N 1 0 310.196 3.445 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C)CC2 ZINC000246531631 546304995 /nfs/dbraw/zinc/30/49/95/546304995.db2.gz VJLGQNOYUCTOEV-LVQVYYBASA-N 1 0 304.482 3.206 10 0 DGAERO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000248557788 546318443 /nfs/dbraw/zinc/31/84/43/546318443.db2.gz BUJGJMDEFXCDHB-GRDNDAEWSA-N 1 0 304.434 3.296 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCOCC1 ZINC000249179073 546325302 /nfs/dbraw/zinc/32/53/02/546325302.db2.gz GYAIOJGILCCAMM-MCIONIFRSA-N 1 0 309.372 3.139 10 0 DGAERO Brc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250268433 546328211 /nfs/dbraw/zinc/32/82/11/546328211.db2.gz YOTKABGRFFDVLT-GDBMZVCRSA-N 1 0 323.278 3.413 10 0 DGAERO Fc1ccc(/C=C\C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000254884430 546333790 /nfs/dbraw/zinc/33/37/90/546333790.db2.gz BASBQOJTUQHKLP-LLHWWHOWSA-N 1 0 318.436 3.026 10 0 DGAERO Cc1ccccc1C1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261733202 546338557 /nfs/dbraw/zinc/33/85/57/546338557.db2.gz LCBVFIFGNMGJGZ-SJLPKXTDSA-N 1 0 300.446 3.076 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000261706448 546338580 /nfs/dbraw/zinc/33/85/80/546338580.db2.gz ISXZKZREWGECHI-IUODEOHRSA-N 1 0 320.408 3.461 10 0 DGAERO [NH3+][C@@H]1CN(c2ncc(Cl)cc2Cl)C[C@H]1c1ccccc1 ZINC000312717825 546452756 /nfs/dbraw/zinc/45/27/56/546452756.db2.gz GCYJKLBXKHQINS-GXTWGEPZSA-N 1 0 308.212 3.320 10 0 DGAERO C[C@H](CN1CCCC1=O)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312561472 546452834 /nfs/dbraw/zinc/45/28/34/546452834.db2.gz PAKICODMHPYXFY-MRVPVSSYSA-N 1 0 307.246 3.155 10 0 DGAERO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312609791 546452880 /nfs/dbraw/zinc/45/28/80/546452880.db2.gz UZSUHJGIOACSQP-QMMMGPOBSA-N 1 0 309.262 3.449 10 0 DGAERO C[C@@H](CC[NH2+]Cc1cc(Cl)sc1Cl)[S@@](C)=O ZINC000312601334 546453574 /nfs/dbraw/zinc/45/35/74/546453574.db2.gz LZFUBEATAAXGPW-HYORBCNSSA-N 1 0 300.276 3.302 10 0 DGAERO c1c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085868 546469074 /nfs/dbraw/zinc/46/90/74/546469074.db2.gz SRTXMYDOGPAWPE-AEFFLSMTSA-N 1 0 311.429 3.306 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CC2CCC(O)CC2)CCN1Cc1ccccc1 ZINC000379628621 546734842 /nfs/dbraw/zinc/73/48/42/546734842.db2.gz NUCDRHZRTOIHRK-BXXUTWAOSA-N 1 0 316.489 3.180 10 0 DGAERO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccsc1Br ZINC000381491737 546740188 /nfs/dbraw/zinc/74/01/88/546740188.db2.gz YDTNJJKNYNHMJR-VHSXEESVSA-N 1 0 304.253 3.415 10 0 DGAERO c1cnn(-c2ccccc2C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000390151049 546752547 /nfs/dbraw/zinc/75/25/47/546752547.db2.gz JDTRJIDTRGOQQB-QGZVFWFLSA-N 1 0 304.397 3.435 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)C1 ZINC000390557249 546754202 /nfs/dbraw/zinc/75/42/02/546754202.db2.gz INHDVVXUVKGBQH-GUDVDZBRSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H](COCc1ccccc1)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000390795128 546756147 /nfs/dbraw/zinc/75/61/47/546756147.db2.gz ZMXMMSYLBZNEMD-QAPCUYQASA-N 1 0 318.461 3.006 10 0 DGAERO Clc1ccc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c(Cl)c1 ZINC000404620902 546767575 /nfs/dbraw/zinc/76/75/75/546767575.db2.gz NVRLJNQOQMKQPF-JTQLQIEISA-N 1 0 311.216 3.100 10 0 DGAERO O[C@@H](CNc1cc[nH+]c2cc(C(F)(F)F)ccc12)C(F)F ZINC000435595887 546821823 /nfs/dbraw/zinc/82/18/23/546821823.db2.gz WHEFOKJDCYEKQY-NSHDSACASA-N 1 0 306.234 3.292 10 0 DGAERO c1nc(C2CC2)c(C[NH2+]C2CCN(c3ccccn3)CC2)s1 ZINC000486961530 546914988 /nfs/dbraw/zinc/91/49/88/546914988.db2.gz CDJDTBOFCJBTKQ-UHFFFAOYSA-N 1 0 314.458 3.174 10 0 DGAERO c1nc(C2CC2)c(CN2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000494953279 546936905 /nfs/dbraw/zinc/93/69/05/546936905.db2.gz IVVPGDIGSCKLHY-HNNXBMFYSA-N 1 0 305.491 3.471 10 0 DGAERO C[C@H](NC(=O)c1cc(O)c2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000526927138 546968886 /nfs/dbraw/zinc/96/88/86/546968886.db2.gz UXABGXAZZVBQRC-ZDUSSCGKSA-N 1 0 314.429 3.252 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2c(F)cccc2F)C1 ZINC000675055727 548148805 /nfs/dbraw/zinc/14/88/05/548148805.db2.gz XAXFZCURRVJJJZ-ZWNOBZJWSA-N 1 0 312.360 3.283 10 0 DGAERO COc1cccc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675053188 563856579 /nfs/dbraw/zinc/85/65/79/563856579.db2.gz HKBGEIRANRKOPY-ZFWWWQNUSA-N 1 0 306.406 3.095 10 0 DGAERO C[C@@]12CC(=O)C[C@H]1[C@@H]1CC[C@@H]3C[C@H]4[NH2+]C[C@H](O4)[C@]3(C)[C@H]1CC2 ZINC000006067822 560204891 /nfs/dbraw/zinc/20/48/91/560204891.db2.gz XWTQFFNBWQHSFL-ZZOJTZHCSA-N 1 0 303.446 3.133 10 0 in-vitro DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([C@@]2(C)[NH2+]CCc3ccsc32)C1 ZINC000712515565 563320069 /nfs/dbraw/zinc/32/00/69/563320069.db2.gz NOHISLPIJGMNJN-CXAGYDPISA-N 1 0 322.474 3.366 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1occc12 ZINC000724109420 563496486 /nfs/dbraw/zinc/49/64/86/563496486.db2.gz GKUQSAQGJVWGPX-ACJLOTCBSA-N 1 0 320.433 3.336 10 0 DGAERO CCCCCCOCC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730773907 574535900 /nfs/dbraw/zinc/53/59/00/574535900.db2.gz LGAHCQBTMMUVGK-BBWFWOEESA-N 1 0 312.498 3.066 10 0 DGAERO CCCCCCOCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000730773926 574535923 /nfs/dbraw/zinc/53/59/23/574535923.db2.gz MCSIHLAUXRVJLU-UHFFFAOYSA-N 1 0 310.482 3.060 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2F)C1 ZINC000675053552 563860486 /nfs/dbraw/zinc/86/04/86/563860486.db2.gz IYLFPHDPMPYUDD-RISCZKNCSA-N 1 0 312.360 3.283 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)cc1F ZINC000675053655 563860919 /nfs/dbraw/zinc/86/09/19/563860919.db2.gz JWBBOPVFPALTGQ-BXUZGUMPSA-N 1 0 312.360 3.364 10 0 DGAERO C/C(=C\C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1cccc(F)c1 ZINC000732058918 574565830 /nfs/dbraw/zinc/56/58/30/574565830.db2.gz XHUJAIGYYVCXFV-LAOKBDHQSA-N 1 0 318.436 3.466 10 0 DGAERO C/C(=C\C(=O)NCC[N@H+]1CCC[C@H](C)C1)c1cccc(F)c1 ZINC000732057846 574565847 /nfs/dbraw/zinc/56/58/47/574565847.db2.gz LUCZFSFDCUPHOH-AYYGCFCKSA-N 1 0 304.409 3.077 10 0 DGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C(\C)c2cccc(F)c2)C1 ZINC000732064009 574565916 /nfs/dbraw/zinc/56/59/16/574565916.db2.gz STQNQEOUFXWHSY-IPJDOKCGSA-N 1 0 304.409 3.077 10 0 DGAERO C/C(=C\C(=O)NC[C@H](C)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732059522 574566129 /nfs/dbraw/zinc/56/61/29/574566129.db2.gz MSZGEYGHONWNIW-KFXIKWRMSA-N 1 0 318.436 3.467 10 0 DGAERO C/C(=C\C(=O)N(CC[NH+](C)C)CC(C)C)c1cccc(F)c1 ZINC000732074467 574566145 /nfs/dbraw/zinc/56/61/45/574566145.db2.gz PLYSXRACNDDEKA-RVDMUPIBSA-N 1 0 306.425 3.275 10 0 DGAERO CC[S@@](=O)CC[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000735085048 574688335 /nfs/dbraw/zinc/68/83/35/574688335.db2.gz ZVXNPZXTLZOZGS-JOCHJYFZSA-N 1 0 316.470 3.313 10 0 DGAERO CC[S@@](=O)CC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000735084205 574688345 /nfs/dbraw/zinc/68/83/45/574688345.db2.gz AFHIFXDHFJUFQH-OAQYLSRUSA-N 1 0 313.369 3.083 10 0 DGAERO O=C(NC(C1CCCC1)C1CCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000735581639 574706819 /nfs/dbraw/zinc/70/68/19/574706819.db2.gz QNPPQRLUBLCFNT-MRXNPFEDSA-N 1 0 319.493 3.271 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)[NH2+]CCc1ccoc12 ZINC000704097831 568414260 /nfs/dbraw/zinc/41/42/60/568414260.db2.gz VYENUAPLVLXXEO-KRWDZBQOSA-N 1 0 306.406 3.042 10 0 DGAERO C[C@H](CNC(=O)N1CC2(CC2)c2ccccc21)[NH+]1CCCCC1 ZINC000740472995 574934392 /nfs/dbraw/zinc/93/43/92/574934392.db2.gz GLQDNDGDUPIYBG-OAHLLOKOSA-N 1 0 313.445 3.122 10 0 DGAERO c1nn(-c2ccccc2)nc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000741791008 574971647 /nfs/dbraw/zinc/97/16/47/574971647.db2.gz PPZOFDZXKPDOCE-GOSISDBHSA-N 1 0 318.424 3.332 10 0 DGAERO COC(=O)c1ccc2c(cnn2C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1 ZINC000742154272 574982977 /nfs/dbraw/zinc/98/29/77/574982977.db2.gz GZQXVMPIIKUVCT-KGLIPLIRSA-N 1 0 315.417 3.291 10 0 DGAERO Cc1ccc([C@H]2C[C@@H](C)CCN2C(=S)NCCC[NH+](C)C)o1 ZINC000743040030 575032460 /nfs/dbraw/zinc/03/24/60/575032460.db2.gz VXMBTYKDZNGRRL-DZGCQCFKSA-N 1 0 323.506 3.187 10 0 DGAERO C/C(=C/C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)c1cccc(F)c1 ZINC000737742035 575900436 /nfs/dbraw/zinc/90/04/36/575900436.db2.gz CZSGEYMBZUDURW-OOXMNIKJSA-N 1 0 304.409 3.028 10 0 DGAERO CNC(=O)CCC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000398280138 575962152 /nfs/dbraw/zinc/96/21/52/575962152.db2.gz FYVBAOOAJRSZJB-QMMMGPOBSA-N 1 0 307.196 3.309 10 0 DGAERO C[C@@H](CNC(=O)Nc1ccc2c(c1)CCCO2)[NH+]1CCCCC1 ZINC000726081025 576006479 /nfs/dbraw/zinc/00/64/79/576006479.db2.gz ZHTKUVJOXTWVTB-AWEZNQCLSA-N 1 0 317.433 3.008 10 0 DGAERO CC[C@@H](C)NC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728446549 576183166 /nfs/dbraw/zinc/18/31/66/576183166.db2.gz UQNOPASTPKRYIB-HZPDHXFCSA-N 1 0 311.539 3.247 10 0 DGAERO COc1ccccc1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053518 576215030 /nfs/dbraw/zinc/21/50/30/576215030.db2.gz IKYPRTLGACFVLA-OCCSQVGLSA-N 1 0 306.406 3.013 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCNC(=O)C(F)(F)F ZINC000154264308 620654107 /nfs/dbraw/zinc/65/41/07/620654107.db2.gz HMQZWKWVRRQQAV-JTQLQIEISA-N 1 0 322.758 3.401 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCNC(=O)C(F)(F)F ZINC000154264409 620654154 /nfs/dbraw/zinc/65/41/54/620654154.db2.gz HMQZWKWVRRQQAV-SNVBAGLBSA-N 1 0 322.758 3.401 10 0 DGAERO CCOCC[N@H+](CC)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000111121197 620673852 /nfs/dbraw/zinc/67/38/52/620673852.db2.gz KVCPMVGYSSZVST-AWEZNQCLSA-N 1 0 305.340 3.097 10 0 DGAERO CCc1c(Cl)ncnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000111300355 620693161 /nfs/dbraw/zinc/69/31/61/620693161.db2.gz KYWPINGAOZBVGF-UHFFFAOYSA-N 1 0 308.857 3.005 10 0 DGAERO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]C3CC3)c2C1 ZINC000757136174 617646253 /nfs/dbraw/zinc/64/62/53/617646253.db2.gz MJLYORBZYRVLHY-UHFFFAOYSA-N 1 0 302.418 3.232 10 0 DGAERO CC(=O)CCCCCCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000153676340 620592867 /nfs/dbraw/zinc/59/28/67/620592867.db2.gz KOPHNGJLCTZJFA-GOSISDBHSA-N 1 0 322.493 3.393 10 0 DGAERO O=C(N1CCC(C[NH+]2CCCC2)CC1)C(F)(F)c1ccccc1 ZINC000112919244 620861330 /nfs/dbraw/zinc/86/13/30/620861330.db2.gz RQWUQLFSLCMSOU-UHFFFAOYSA-N 1 0 322.399 3.113 10 0 DGAERO Cn1cc(Cl)cc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117094341 621351324 /nfs/dbraw/zinc/35/13/24/621351324.db2.gz XAXXNEHPAMPLEL-OAHLLOKOSA-N 1 0 318.804 3.110 10 0 DGAERO CC(C)(C)SCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117093328 621351871 /nfs/dbraw/zinc/35/18/71/621351871.db2.gz GXHBTUFWLYEVAC-OAHLLOKOSA-N 1 0 307.459 3.336 10 0 DGAERO CCCCOCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000118599960 621540281 /nfs/dbraw/zinc/54/02/81/621540281.db2.gz DKGLPVKHVPTLSH-UHFFFAOYSA-N 1 0 319.445 3.259 10 0 DGAERO O=C(Oc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC=CC1 ZINC000118974370 621603955 /nfs/dbraw/zinc/60/39/55/621603955.db2.gz DRDYAIRBIFBPGG-UHFFFAOYSA-N 1 0 315.413 3.423 10 0 DGAERO CC(C)[N@H+](CC(=O)NC1CCCCCCC1)C1CCOCC1 ZINC000119636656 621706800 /nfs/dbraw/zinc/70/68/00/621706800.db2.gz NBHKABXOSYHZSW-UHFFFAOYSA-N 1 0 310.482 3.105 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000124036070 622883036 /nfs/dbraw/zinc/88/30/36/622883036.db2.gz QSWIMBGHDKBFJC-INIZCTEOSA-N 1 0 309.841 3.265 10 0 DGAERO C[N@H+](CCCOC(=O)CCC1CCOCC1)Cc1ccccc1 ZINC000129543332 625676089 /nfs/dbraw/zinc/67/60/89/625676089.db2.gz KILYISOUZYGKKW-UHFFFAOYSA-N 1 0 319.445 3.259 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)cc1Cl ZINC000126425184 623833409 /nfs/dbraw/zinc/83/34/09/623833409.db2.gz DACKPEWGFMTJIF-SMDDNHRTSA-N 1 0 310.825 3.454 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000126742438 624063491 /nfs/dbraw/zinc/06/34/91/624063491.db2.gz LGGVVWMIWJSLGS-MWLCHTKSSA-N 1 0 322.257 3.221 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000126745984 624064497 /nfs/dbraw/zinc/06/44/97/624064497.db2.gz GDPDOFGMFHDIBK-BBRMVZONSA-N 1 0 309.475 3.212 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccc(Br)cc1F ZINC000127155729 624288386 /nfs/dbraw/zinc/28/83/86/624288386.db2.gz INWCUKSOGOPECG-OQPBUACISA-N 1 0 302.187 3.010 10 0 DGAERO Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)n1 ZINC000127309506 624349580 /nfs/dbraw/zinc/34/95/80/624349580.db2.gz VWKUGWKXGUUUQE-OAHLLOKOSA-N 1 0 309.413 3.368 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000128567871 625014825 /nfs/dbraw/zinc/01/48/25/625014825.db2.gz GOHHDUNFIFTLGC-HNNXBMFYSA-N 1 0 310.235 3.435 10 0 DGAERO CC[C@H](NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)c1nccs1 ZINC000130476258 625856001 /nfs/dbraw/zinc/85/60/01/625856001.db2.gz HRPSFWDCTNLCAN-XBFCOCLRSA-N 1 0 303.431 3.047 10 0 DGAERO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000131991876 626691670 /nfs/dbraw/zinc/69/16/70/626691670.db2.gz MQMKOINMDZOFAW-ROUUACIJSA-N 1 0 317.429 3.011 10 0 DGAERO CC(C)(C)OC(=O)N(C[C@H]1CCCS1)c1ccc(C[NH3+])nc1 ZINC000757134223 626751084 /nfs/dbraw/zinc/75/10/84/626751084.db2.gz LXWFTZXBHCMBOR-CQSZACIVSA-N 1 0 323.462 3.177 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000300395909 627266224 /nfs/dbraw/zinc/26/62/24/627266224.db2.gz OKNNUOPQDVIJHI-IHRRRGAJSA-N 1 0 323.437 3.327 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300910101 627284597 /nfs/dbraw/zinc/28/45/97/627284597.db2.gz CZFHEEAEDATQLN-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1Br ZINC000301041551 627286424 /nfs/dbraw/zinc/28/64/24/627286424.db2.gz WOSYMXSGPJHRQX-QPUJVOFHSA-N 1 0 304.253 3.334 10 0 DGAERO CCC[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C[C@H]1CCCCO1 ZINC000106867270 631476475 /nfs/dbraw/zinc/47/64/75/631476475.db2.gz XHPOTLDYLOBRQK-PBHICJAKSA-N 1 0 313.388 3.279 10 0 DGAERO O=C(N1CCCC[C@@H]([NH+]2CCCC2)C1)C(F)(F)c1ccccc1 ZINC000107529924 631649255 /nfs/dbraw/zinc/64/92/55/631649255.db2.gz QRYMIBCYPFLLBC-MRXNPFEDSA-N 1 0 322.399 3.255 10 0 DGAERO CC(C)(C)c1ccc(/C=C/C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000185067332 660200570 /nfs/dbraw/zinc/20/05/70/660200570.db2.gz RUWFUGVFMBJIAB-SWZWQEJASA-N 1 0 312.457 3.193 10 0 DGAERO C[C@H](NCc1cscn1)c1cc(Br)ccc1O ZINC000185246279 660211576 /nfs/dbraw/zinc/21/15/76/660211576.db2.gz TVPFOSJOZGTOFA-QMMMGPOBSA-N 1 0 313.220 3.462 10 0 DGAERO C[C@@H](c1ccsc1)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000185468302 660224291 /nfs/dbraw/zinc/22/42/91/660224291.db2.gz UOCAJHRUSFXTFY-HNNXBMFYSA-N 1 0 308.491 3.122 10 0 DGAERO OC1(CN2CCO[C@H](c3cccc(Cl)c3)C2)CCCCC1 ZINC000185620248 660233673 /nfs/dbraw/zinc/23/36/73/660233673.db2.gz LPVCFKYWAAJRBL-INIZCTEOSA-N 1 0 309.837 3.409 10 0 DGAERO COC[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000721941805 660453655 /nfs/dbraw/zinc/45/36/55/660453655.db2.gz OQZRQAXDYRPLMI-SFHVURJKSA-N 1 0 304.478 3.159 10 0 DGAERO C[C@H]([NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[C@H]1C ZINC000321175384 660545123 /nfs/dbraw/zinc/54/51/23/660545123.db2.gz YWUOJDTYWJSRPV-CBBWQLFWSA-N 1 0 308.466 3.410 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)sc1Br ZINC000719242068 662271810 /nfs/dbraw/zinc/27/18/10/662271810.db2.gz WPJQOKDUQWRQDM-WCBMZHEXSA-N 1 0 319.268 3.119 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000186750269 660573219 /nfs/dbraw/zinc/57/32/19/660573219.db2.gz HCTUGNCXLYEONH-GXSJLCMTSA-N 1 0 308.834 3.283 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000700105425 660612165 /nfs/dbraw/zinc/61/21/65/660612165.db2.gz HPOLHNOXBWTDOP-KYZVSKTDSA-N 1 0 308.466 3.316 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cocn2)CC(C)(C)C1 ZINC000700062295 660612179 /nfs/dbraw/zinc/61/21/79/660612179.db2.gz MAPIPTTZRFKKHQ-CYBMUJFWSA-N 1 0 323.437 3.190 10 0 DGAERO CCC(F)(F)C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000700202865 660615867 /nfs/dbraw/zinc/61/58/67/660615867.db2.gz KCFAJRLEUAHGSA-VXGBXAGGSA-N 1 0 306.397 3.457 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)c2sc3ccccc3c2Cl)C[NH2+]1 ZINC000700335314 660621515 /nfs/dbraw/zinc/62/15/15/660621515.db2.gz OQIBUUJUJICZAE-ZJUUUORDSA-N 1 0 308.834 3.425 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@H]2CCCSCC2)CCN1C(=O)OC(C)(C)C ZINC000700757721 660632951 /nfs/dbraw/zinc/63/29/51/660632951.db2.gz UIBBKMQTKZYMEW-RDBSUJKOSA-N 1 0 314.495 3.260 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cncs1 ZINC000700753513 660632981 /nfs/dbraw/zinc/63/29/81/660632981.db2.gz MOJOMUCWOCMXHF-SDDRHHMPSA-N 1 0 311.451 3.192 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H](C)SC2)CCN1C(=O)OC(C)(C)C ZINC000700753319 660632999 /nfs/dbraw/zinc/63/29/99/660632999.db2.gz HWNHHTBTORFIPP-DGAVXFQQSA-N 1 0 314.495 3.258 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]C2Cc3ccccc3C2)CCN1C(=O)OC(C)(C)C ZINC000700731480 660633915 /nfs/dbraw/zinc/63/39/15/660633915.db2.gz HAWOHRFQJCAQKN-DYVFJYSZSA-N 1 0 316.445 3.141 10 0 DGAERO CCOC1CCC([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000701122033 660656589 /nfs/dbraw/zinc/65/65/89/660656589.db2.gz HDRYNUVVNNCFSF-LMRVLLHPSA-N 1 0 314.470 3.225 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)CN1C(=O)OC(C)(C)C ZINC000701722426 660681192 /nfs/dbraw/zinc/68/11/92/660681192.db2.gz CCKZOGCBMRIYNA-TYNCELHUSA-N 1 0 318.408 3.409 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1ccccc1F)C2 ZINC000701864407 660689171 /nfs/dbraw/zinc/68/91/71/660689171.db2.gz MFQGBBJNVVNKFS-UHFFFAOYSA-N 1 0 320.408 3.315 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C[C@@H]1CC=CCC1)C2 ZINC000701921912 660695334 /nfs/dbraw/zinc/69/53/34/660695334.db2.gz BASKBBACAKXHTQ-KSTDHSDQSA-N 1 0 306.450 3.332 10 0 DGAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cscn1 ZINC000701855313 660690454 /nfs/dbraw/zinc/69/04/54/660690454.db2.gz JLDWFDCTJLLECR-OPGSHWCFSA-N 1 0 323.462 3.193 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000701945197 660692872 /nfs/dbraw/zinc/69/28/72/660692872.db2.gz PIANEJCUIKMCJA-ZOBORPQBSA-N 1 0 314.495 3.258 10 0 DGAERO CS[C@H]1CC[C@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000701986945 660696606 /nfs/dbraw/zinc/69/66/06/660696606.db2.gz OXHUHBJMKPSIQQ-NEPJUHHUSA-N 1 0 302.484 3.163 10 0 DGAERO O[C@H](C[NH2+]CCC1(F)CCC1)c1cccc(Br)c1 ZINC000702487468 660726047 /nfs/dbraw/zinc/72/60/47/660726047.db2.gz LHLULJTXDYXZIH-CYBMUJFWSA-N 1 0 316.214 3.354 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000702517812 660728204 /nfs/dbraw/zinc/72/82/04/660728204.db2.gz DUECXOSKFDVJMZ-MRXNPFEDSA-N 1 0 320.408 3.269 10 0 DGAERO Cc1cc(Br)ccc1-c1noc(C2=CC[C@@H]([NH3+])C2)n1 ZINC000702834513 660743065 /nfs/dbraw/zinc/74/30/65/660743065.db2.gz MHYCTGKDWZDBLY-LLVKDONJSA-N 1 0 320.190 3.312 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000702894061 660746990 /nfs/dbraw/zinc/74/69/90/660746990.db2.gz CFQCLNVSQGZQEZ-KRWDZBQOSA-N 1 0 303.446 3.388 10 0 DGAERO Cc1nnc(C[NH2+]CC2(CCOCc3ccccc3)CC2)s1 ZINC000702936571 660748402 /nfs/dbraw/zinc/74/84/02/660748402.db2.gz OICQPXUSXPKDEN-UHFFFAOYSA-N 1 0 317.458 3.323 10 0 DGAERO CC1(O)CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000702958611 660749482 /nfs/dbraw/zinc/74/94/82/660749482.db2.gz KHTBPBAPIPTZOI-UHFFFAOYSA-N 1 0 316.214 3.371 10 0 DGAERO CC(C)[C@@H](CC[NH2+][C@H]1CCCSC1)NC(=O)OC(C)(C)C ZINC000703107943 660762767 /nfs/dbraw/zinc/76/27/67/660762767.db2.gz MMIVABKYFIDCOT-UONOGXRCSA-N 1 0 316.511 3.411 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]CCC2SCCS2)CCN1Cc1ccccc1 ZINC000703346283 660777364 /nfs/dbraw/zinc/77/73/64/660777364.db2.gz DKFTVZXMQQHYOD-ZBFHGGJFSA-N 1 0 322.543 3.435 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000705305295 660837460 /nfs/dbraw/zinc/83/74/60/660837460.db2.gz WCYCXGKQVNTVJX-XJKSGUPXSA-N 1 0 308.466 3.412 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000706480573 660861420 /nfs/dbraw/zinc/86/14/20/660861420.db2.gz WJAHGQYQVIKJBX-RNJOBUHISA-N 1 0 314.495 3.162 10 0 DGAERO CSC1CC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C1 ZINC000706931840 660881762 /nfs/dbraw/zinc/88/17/62/660881762.db2.gz USHNFKPGJJUVKL-GFJIZPEISA-N 1 0 314.495 3.116 10 0 DGAERO CSC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707920978 660915627 /nfs/dbraw/zinc/91/56/27/660915627.db2.gz ZLMHADCCKVOCNY-FQUUOJAGSA-N 1 0 314.495 3.116 10 0 DGAERO C[C@@H]1CN(C(=O)c2sc3ccccc3c2Cl)C[C@@H]1C[NH3+] ZINC000708872294 660923470 /nfs/dbraw/zinc/92/34/70/660923470.db2.gz WSVMTXHVWGZMPE-ZJUUUORDSA-N 1 0 308.834 3.222 10 0 DGAERO Brc1ccc(C[NH2+][C@@H]2CCCSCC2)nc1 ZINC000709540839 660929134 /nfs/dbraw/zinc/92/91/34/660929134.db2.gz HPUFMWZHPOYSTC-LLVKDONJSA-N 1 0 301.253 3.219 10 0 DGAERO Brc1csc(C[NH2+]CCc2ccns2)c1 ZINC000709789999 660930444 /nfs/dbraw/zinc/93/04/44/660930444.db2.gz FKYVARBVGAEIER-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn(C)cn1 ZINC000710009846 660931669 /nfs/dbraw/zinc/93/16/69/660931669.db2.gz AXEZBOAHCITAED-QFBILLFUSA-N 1 0 312.461 3.125 10 0 DGAERO Cc1ccc(C[C@@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)s1 ZINC000710895676 660936646 /nfs/dbraw/zinc/93/66/46/660936646.db2.gz BZEXRZATTUZJMV-GFCCVEGCSA-N 1 0 324.490 3.444 10 0 DGAERO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000709219577 660927548 /nfs/dbraw/zinc/92/75/48/660927548.db2.gz QNOCOKYFZJZJLN-AWEZNQCLSA-N 1 0 309.251 3.084 10 0 DGAERO CC(C)CSCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711460885 660954067 /nfs/dbraw/zinc/95/40/67/660954067.db2.gz JEZSIRQKNJLAKB-OKILXGFUSA-N 1 0 316.511 3.269 10 0 DGAERO Cc1cc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)cs1 ZINC000711396031 660949405 /nfs/dbraw/zinc/94/94/05/660949405.db2.gz NURQGTOHIPBEOH-UHFFFAOYSA-N 1 0 310.463 3.449 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000711404446 660949957 /nfs/dbraw/zinc/94/99/57/660949957.db2.gz GXHQQZMBZPYZOG-UPJWGTAASA-N 1 0 318.408 3.457 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C(C)(C2CC2)C2CC2)C1 ZINC000711409721 660951116 /nfs/dbraw/zinc/95/11/16/660951116.db2.gz BYSPWQYECQXQMV-UHFFFAOYSA-N 1 0 308.466 3.458 10 0 DGAERO CCC(C)(C)OCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711421866 660951497 /nfs/dbraw/zinc/95/14/97/660951497.db2.gz VTYGCAFWEILYFA-OKILXGFUSA-N 1 0 314.470 3.085 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CS1 ZINC000711477089 660953994 /nfs/dbraw/zinc/95/39/94/660953994.db2.gz CWHFXFHGVAEJLY-SYQHCUMBSA-N 1 0 314.495 3.163 10 0 DGAERO CSCCCC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711491388 660955496 /nfs/dbraw/zinc/95/54/96/660955496.db2.gz NLOXTDVNHAXQMG-UHFFFAOYSA-N 1 0 302.484 3.023 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C\c1ccnc2ccccc12 ZINC000255026138 655563926 /nfs/dbraw/zinc/56/39/26/655563926.db2.gz FGYAOHLJAKSSEQ-MQNTZWLQSA-N 1 0 323.440 3.239 10 0 DGAERO c1csc(CC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160603703 655658390 /nfs/dbraw/zinc/65/83/90/655658390.db2.gz MCEWLXAZNKCKQS-OAHLLOKOSA-N 1 0 316.474 3.446 10 0 DGAERO C[C@]1(c2nc(-c3ccc(Br)cc3)no2)CCC[NH2+]1 ZINC000083735670 655722854 /nfs/dbraw/zinc/72/28/54/655722854.db2.gz OVAKKMAVMYZXJT-CYBMUJFWSA-N 1 0 308.179 3.098 10 0 DGAERO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)CS(C)(=O)=O ZINC000723880008 655728108 /nfs/dbraw/zinc/72/81/08/655728108.db2.gz WTUBTSMLYAQRKW-SOUVJXGZSA-N 1 0 301.496 3.006 10 0 DGAERO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(CO)c(F)c2)cc1Cl ZINC000187711435 655728776 /nfs/dbraw/zinc/72/87/76/655728776.db2.gz MHNGUCOKAQKPDN-UHFFFAOYSA-N 1 0 324.739 3.169 10 0 DGAERO Brc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)o1 ZINC000723978737 655732232 /nfs/dbraw/zinc/73/22/32/655732232.db2.gz RZBGWLIXZBFKBK-BXUZGUMPSA-N 1 0 314.223 3.337 10 0 DGAERO CC[C@@H]([NH2+]Cc1cccc(Br)n1)[C@@H]1CCCOC1 ZINC000724012904 655736307 /nfs/dbraw/zinc/73/63/07/655736307.db2.gz UOZGZGWEJJEVRN-DGCLKSJQSA-N 1 0 313.239 3.139 10 0 DGAERO Cc1cnc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c(C)c1 ZINC000724047005 655738842 /nfs/dbraw/zinc/73/88/42/655738842.db2.gz XWJLOQICHLCFAF-UHFFFAOYSA-N 1 0 307.438 3.091 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000724070858 655740057 /nfs/dbraw/zinc/74/00/57/655740057.db2.gz FPPKZLCVPIRLSE-AGIUHOORSA-N 1 0 318.408 3.315 10 0 DGAERO C[C@@](O)(C[NH2+]C[C@@H]1CCCC12CC2)C(F)(F)C(F)(F)F ZINC000724112570 655743014 /nfs/dbraw/zinc/74/30/14/655743014.db2.gz YRAXHJIJDGSNFN-VHSXEESVSA-N 1 0 301.299 3.105 10 0 DGAERO COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000724122384 655745486 /nfs/dbraw/zinc/74/54/86/655745486.db2.gz SRLGGRYOBYEEIJ-TZMCWYRMSA-N 1 0 314.223 3.067 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(C)s1 ZINC000724314869 655754257 /nfs/dbraw/zinc/75/42/57/655754257.db2.gz RCTPIEPCZZPCSF-HLVVYCRESA-N 1 0 313.488 3.124 10 0 DGAERO C[NH2+]CCc1ccccc1C(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000262057420 655765452 /nfs/dbraw/zinc/76/54/52/655765452.db2.gz DQTQZRFTAYQTBF-JKSUJKDBSA-N 1 0 302.462 3.395 10 0 DGAERO COc1ccccc1/C=C\C[NH2+]C[C@](C)(O)c1cccs1 ZINC000255510905 655782401 /nfs/dbraw/zinc/78/24/01/655782401.db2.gz OJHCGLWPHVONOX-AFCDSYGPSA-N 1 0 303.427 3.267 10 0 DGAERO C[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)s1 ZINC000235519821 655799828 /nfs/dbraw/zinc/79/98/28/655799828.db2.gz XDXKUYWRMIESCB-CABZTGNLSA-N 1 0 300.855 3.357 10 0 DGAERO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)C1CCCC1 ZINC000712482497 661188965 /nfs/dbraw/zinc/18/89/65/661188965.db2.gz OXYUMZSVIRJPPP-GFCCVEGCSA-N 1 0 300.244 3.241 10 0 DGAERO Clc1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)s1 ZINC000712637483 661189592 /nfs/dbraw/zinc/18/95/92/661189592.db2.gz CPSKDUVFTXTKOS-NSHDSACASA-N 1 0 301.839 3.077 10 0 DGAERO C[C@@H]1OC[C@H]([NH2+]CCc2sccc2Br)[C@@H]1C ZINC000713015306 661189833 /nfs/dbraw/zinc/18/98/33/661189833.db2.gz ZKWLJXYRUWJPLE-YWVKMMECSA-N 1 0 304.253 3.066 10 0 DGAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCc1ccc(Cl)s1 ZINC000713010019 661189896 /nfs/dbraw/zinc/18/98/96/661189896.db2.gz RLYIKWHEXOXJAJ-LBPRGKRZSA-N 1 0 302.871 3.070 10 0 DGAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000713011151 661189935 /nfs/dbraw/zinc/18/99/35/661189935.db2.gz YHTDRMQBWRYLGN-CYBMUJFWSA-N 1 0 300.805 3.105 10 0 DGAERO CCn1cc(C[NH2+]CCc2sccc2Br)cn1 ZINC000713106140 661190294 /nfs/dbraw/zinc/19/02/94/661190294.db2.gz WIXZZQVFEHTCTG-UHFFFAOYSA-N 1 0 314.252 3.059 10 0 DGAERO CCc1cc(Br)ccc1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713389961 661190989 /nfs/dbraw/zinc/19/09/89/661190989.db2.gz KOKDXJFUFTWZDY-GMXABZIVSA-N 1 0 323.234 3.077 10 0 DGAERO C=C/C=C\CC[NH2+]Cc1snc(OC)c1Br ZINC000713500809 661191265 /nfs/dbraw/zinc/19/12/65/661191265.db2.gz ZTBYSSQZWKMMQA-PLNGDYQASA-N 1 0 303.225 3.136 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000725001332 655845349 /nfs/dbraw/zinc/84/53/49/655845349.db2.gz NEZBZFBOGKFPRE-DMLGSKKGSA-N 1 0 316.626 3.106 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CC23CC(O)C3)c(C)c1Br ZINC000725002593 655845676 /nfs/dbraw/zinc/84/56/76/655845676.db2.gz XDODLXBPVYELDK-OWYJLGKBSA-N 1 0 310.235 3.069 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1cccc(Cl)c1 ZINC000250895166 655851211 /nfs/dbraw/zinc/85/12/11/655851211.db2.gz IQJTVQGVPBSDAI-YUDUHTQSSA-N 1 0 306.837 3.438 10 0 DGAERO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cn(C)nc1Br ZINC000713860516 661194922 /nfs/dbraw/zinc/19/49/22/661194922.db2.gz QDEAXOPLKKGDJM-ZYHUDNBSSA-N 1 0 300.244 3.193 10 0 DGAERO c1nc2ccnc(NC3CC[NH+](Cc4ccccc4)CC3)c2[nH]1 ZINC000714218593 661197637 /nfs/dbraw/zinc/19/76/37/661197637.db2.gz WYGJKDYNWAKZCO-UHFFFAOYSA-N 1 0 307.401 3.034 10 0 DGAERO CC(C)(C)c1nc(CN(CCC[NH3+])CC(F)(F)F)cs1 ZINC000714348489 661198852 /nfs/dbraw/zinc/19/88/52/661198852.db2.gz ZYBFTZAKDACBHQ-UHFFFAOYSA-N 1 0 309.401 3.154 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(F)c(Cl)c1 ZINC000714367499 661199163 /nfs/dbraw/zinc/19/91/63/661199163.db2.gz TXXMEADJZPHWTG-CMPLNLGQSA-N 1 0 319.829 3.097 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000714476040 661201492 /nfs/dbraw/zinc/20/14/92/661201492.db2.gz BROQJXKACRFADT-KNXALSJPSA-N 1 0 324.262 3.321 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000714726634 661202937 /nfs/dbraw/zinc/20/29/37/661202937.db2.gz YEHWXVKKUBWDLY-HOMQSWHASA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccccc1-n1cccn1 ZINC000177339429 655922075 /nfs/dbraw/zinc/92/20/75/655922075.db2.gz FONPODMKNRMNEO-OXQOHEQNSA-N 1 0 321.424 3.431 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C(\C)c1cccc(OC)c1 ZINC000177532037 655930799 /nfs/dbraw/zinc/93/07/99/655930799.db2.gz PUAZNKPMYGBDPO-OKACTXMXSA-N 1 0 316.445 3.041 10 0 DGAERO [NH3+][C@@H]1C[C@H](NCc2ncc(Br)s2)c2ccccc21 ZINC000714924115 661204772 /nfs/dbraw/zinc/20/47/72/661204772.db2.gz HEHAVRZHSIBTRQ-MNOVXSKESA-N 1 0 324.247 3.140 10 0 DGAERO Cc1sc(C[NH2+]CC[C@@H]2CCOC2)cc1Br ZINC000235964766 655937425 /nfs/dbraw/zinc/93/74/25/655937425.db2.gz VHHZENLTDAQCPF-SNVBAGLBSA-N 1 0 304.253 3.335 10 0 DGAERO O=C(C[C@@H]1CCCO1)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000066542955 655954134 /nfs/dbraw/zinc/95/41/34/655954134.db2.gz LLZTWNYVRKHNLS-SFHVURJKSA-N 1 0 317.429 3.011 10 0 DGAERO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1cncnc1)c1ccccc1 ZINC000180510080 655966457 /nfs/dbraw/zinc/96/64/57/655966457.db2.gz QQAPWFPWWJZXDM-MOPGFXCFSA-N 1 0 311.429 3.345 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000327878258 656007489 /nfs/dbraw/zinc/00/74/89/656007489.db2.gz LGIKVGSFLZMLCL-XJKSGUPXSA-N 1 0 314.495 3.119 10 0 DGAERO Brc1ccc(C[NH2+]CC[C@@H]2CCCS2)nc1 ZINC000715867390 661215104 /nfs/dbraw/zinc/21/51/04/661215104.db2.gz YSSJFHSZQZRVJJ-LBPRGKRZSA-N 1 0 301.253 3.219 10 0 DGAERO CCCn1cc([C@@H](C)[NH2+][C@H](C)CCOCc2ccccc2)nn1 ZINC000715922221 661215954 /nfs/dbraw/zinc/21/59/54/661215954.db2.gz OKMQHTUQKHVNQO-HZPDHXFCSA-N 1 0 316.449 3.334 10 0 DGAERO C[C@H](C[NH2+]Cc1cccc2cnccc21)CC1(C)OCCO1 ZINC000715923021 661215975 /nfs/dbraw/zinc/21/59/75/661215975.db2.gz UOYIRDHQIYJZOK-AWEZNQCLSA-N 1 0 300.402 3.114 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000309665715 656037675 /nfs/dbraw/zinc/03/76/75/656037675.db2.gz PGUJPAIVWWEFKX-OALUTQOASA-N 1 0 314.473 3.342 10 0 DGAERO C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000716094385 661217647 /nfs/dbraw/zinc/21/76/47/661217647.db2.gz PJFIKDORXVSGSQ-PUSIOWJLSA-N 1 0 322.257 3.220 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccns1 ZINC000715996192 661217807 /nfs/dbraw/zinc/21/78/07/661217807.db2.gz UUEYICGPCDOGLR-RYUDHWBXSA-N 1 0 311.451 3.193 10 0 DGAERO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CSC(C)(C)C)cc1 ZINC000236754973 656061528 /nfs/dbraw/zinc/06/15/28/656061528.db2.gz PCTODMJAVBEOSN-HNNXBMFYSA-N 1 0 308.491 3.458 10 0 DGAERO C[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)N1CCCCC1 ZINC000716244934 661220552 /nfs/dbraw/zinc/22/05/52/661220552.db2.gz BZRCKZOKIGMGIW-IVMQYODDSA-N 1 0 302.462 3.198 10 0 DGAERO O[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1F ZINC000716285109 661221237 /nfs/dbraw/zinc/22/12/37/661221237.db2.gz PJJDZNONHWFVTQ-RJYAGPCLSA-N 1 0 315.388 3.197 10 0 DGAERO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000312073471 656094639 /nfs/dbraw/zinc/09/46/39/656094639.db2.gz OXAVVEJGXYPTRB-GZMMTYOYSA-N 1 0 302.205 3.242 10 0 DGAERO Cc1noc(C)c1C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183203663 656111217 /nfs/dbraw/zinc/11/12/17/656111217.db2.gz ZAPMYOXDYMOKNA-INIZCTEOSA-N 1 0 314.385 3.113 10 0 DGAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716655111 661226065 /nfs/dbraw/zinc/22/60/65/661226065.db2.gz BABASUJQGAEFNS-FGZZBPHYSA-N 1 0 308.466 3.171 10 0 DGAERO Cc1nocc1CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677471 661226629 /nfs/dbraw/zinc/22/66/29/661226629.db2.gz FKFNAZKYQXSQEX-WDSOQIARSA-N 1 0 311.429 3.126 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C ZINC000310008672 656130311 /nfs/dbraw/zinc/13/03/11/656130311.db2.gz JEOYVNUKSYEEMD-QLFBSQMISA-N 1 0 314.470 3.227 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cccc(F)c1Br ZINC000716831231 661229590 /nfs/dbraw/zinc/22/95/90/661229590.db2.gz QQHKHUXLTFHQHC-KOLCDFICSA-N 1 0 304.203 3.227 10 0 DGAERO Clc1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)s1 ZINC000312612157 656158672 /nfs/dbraw/zinc/15/86/72/656158672.db2.gz KNZBFWWINYZVTE-GHMZBOCLSA-N 1 0 321.273 3.008 10 0 DGAERO C[C@](O)(C[N@@H+]1CC2(CCCC2)OC(C)(C)C1)c1ccccc1 ZINC000190968320 656165264 /nfs/dbraw/zinc/16/52/64/656165264.db2.gz BCJPAKXXXOYVEJ-SFHVURJKSA-N 1 0 303.446 3.318 10 0 DGAERO COC1(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)CCCCC1 ZINC000319546367 656203219 /nfs/dbraw/zinc/20/32/19/656203219.db2.gz CQFJDKFTVCITFW-CMDGGOBGSA-N 1 0 312.454 3.006 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)C1CC1 ZINC000717149202 661255777 /nfs/dbraw/zinc/25/57/77/661255777.db2.gz AIFGOEYNMXRUFE-YPMHNXCESA-N 1 0 318.408 3.267 10 0 DGAERO FC(F)(F)c1cscc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000717192841 661256188 /nfs/dbraw/zinc/25/61/88/661256188.db2.gz LSUZOOXGBLIEBQ-SSDOTTSWSA-N 1 0 303.309 3.284 10 0 DGAERO CC1(C)CO[C@@H](CC[NH2+]Cc2ccc(Br)o2)C1 ZINC000717298225 661261320 /nfs/dbraw/zinc/26/13/20/661261320.db2.gz FVJUPLBNYYRFMF-JTQLQIEISA-N 1 0 302.212 3.337 10 0 DGAERO CC1(C)CO[C@@H](CC[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000717347101 661262102 /nfs/dbraw/zinc/26/21/02/661262102.db2.gz PAMHNEMYHJJYBZ-SFHVURJKSA-N 1 0 313.445 3.226 10 0 DGAERO CC1(C)CO[C@H](C[NH2+]Cc2cccc(O)c2Br)C1 ZINC000717609780 661266241 /nfs/dbraw/zinc/26/62/41/661266241.db2.gz RYNTWTKSSDWUSS-NSHDSACASA-N 1 0 314.223 3.059 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000724027310 656505521 /nfs/dbraw/zinc/50/55/21/656505521.db2.gz IVPYBCGDCKBTKA-MELADBBJSA-N 1 0 323.437 3.327 10 0 DGAERO Cc1ccsc1C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724109495 656509723 /nfs/dbraw/zinc/50/97/23/656509723.db2.gz MOZHSUKKKSYDQX-SECBINFHSA-N 1 0 303.296 3.095 10 0 DGAERO Cc1nc(Cc2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)cs1 ZINC000055273394 656521394 /nfs/dbraw/zinc/52/13/94/656521394.db2.gz PXXIMZNDLJAOHH-DRZSPHRISA-N 1 0 304.419 3.019 10 0 DGAERO COCc1csc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000722399138 656660708 /nfs/dbraw/zinc/66/07/08/656660708.db2.gz UXOOWADPMXXGLA-CMPLNLGQSA-N 1 0 309.353 3.094 10 0 DGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1C ZINC000227679152 656844388 /nfs/dbraw/zinc/84/43/88/656844388.db2.gz RTNKNJHOSCKFQA-VXGBXAGGSA-N 1 0 324.469 3.084 10 0 DGAERO Cc1ccc(SCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000261609685 656928241 /nfs/dbraw/zinc/92/82/41/656928241.db2.gz ANPGGDCZWQEUJH-XYPWUTKMSA-N 1 0 318.486 3.137 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2csc(Br)c2)C1 ZINC000721814947 657399287 /nfs/dbraw/zinc/39/92/87/657399287.db2.gz BAWUKJGSZWYVQI-JTQLQIEISA-N 1 0 304.253 3.103 10 0 DGAERO Cc1nc(C)c(C[NH2+]CCOC(F)(F)C(F)(F)F)s1 ZINC000720339577 657410401 /nfs/dbraw/zinc/41/04/01/657410401.db2.gz GZJDFUDNZVXYNT-UHFFFAOYSA-N 1 0 304.284 3.021 10 0 DGAERO Cc1conc1C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000720359586 657474117 /nfs/dbraw/zinc/47/41/17/657474117.db2.gz XUIXWIASHANGLT-IRXDYDNUSA-N 1 0 300.402 3.457 10 0 DGAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000251463584 657517813 /nfs/dbraw/zinc/51/78/13/657517813.db2.gz VASDSIPNBLZGDA-ZDEQEGDKSA-N 1 0 306.372 3.131 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nc(Cl)ccc1Cl ZINC000251679885 657527749 /nfs/dbraw/zinc/52/77/49/657527749.db2.gz HTLFSEXRIAPFCP-NEPJUHHUSA-N 1 0 314.260 3.447 10 0 DGAERO COCC[N@H+](C/C=C\c1ccccc1)Cc1nc(C)ccc1O ZINC000096839864 657557859 /nfs/dbraw/zinc/55/78/59/657557859.db2.gz NCSMYRWSUHKQKN-TWGQIWQCSA-N 1 0 312.413 3.257 10 0 DGAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)C[C@@H](C)c2ccccc2)C1 ZINC000096995664 657580608 /nfs/dbraw/zinc/58/06/08/657580608.db2.gz TVBAQTFGRFOKNF-SJLPKXTDSA-N 1 0 319.445 3.080 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000097093716 657597692 /nfs/dbraw/zinc/59/76/92/657597692.db2.gz HQKWSIBRDGKURL-IUCAKERBSA-N 1 0 304.337 3.364 10 0 DGAERO CC[C@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1Br ZINC000720674858 658065379 /nfs/dbraw/zinc/06/53/79/658065379.db2.gz RBAXVEZAYOMLGV-CQSZACIVSA-N 1 0 322.250 3.294 10 0 DGAERO Cn1cc(C[NH2+]CCCCc2ccccc2)c(Br)n1 ZINC000720687443 658082840 /nfs/dbraw/zinc/08/28/40/658082840.db2.gz CEQNZXSAXXGCNA-UHFFFAOYSA-N 1 0 322.250 3.295 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@@H]1C(F)(F)F ZINC000720845540 658148826 /nfs/dbraw/zinc/14/88/26/658148826.db2.gz RFQDPCBFAAQXSQ-ZJUUUORDSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@H]1C(F)(F)F ZINC000720843014 658149945 /nfs/dbraw/zinc/14/99/45/658149945.db2.gz GKEPDWYCMREWII-NXEZZACHSA-N 1 0 310.722 3.048 10 0 DGAERO C[C@H](c1cccc(Cl)c1)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720878793 658155137 /nfs/dbraw/zinc/15/51/37/658155137.db2.gz UDGICWMWFZCLTN-XWIASGKRSA-N 1 0 306.759 3.470 10 0 DGAERO COC[C@H](CC[NH2+]CCc1cc(Cl)cc(Cl)c1)OC ZINC000722133579 658218223 /nfs/dbraw/zinc/21/82/23/658218223.db2.gz SMYXEYFHOBJTJB-AWEZNQCLSA-N 1 0 306.233 3.177 10 0 DGAERO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N(Cc1ccccc1)Cc1ccccc1 ZINC000720957057 658258506 /nfs/dbraw/zinc/25/85/06/658258506.db2.gz ZFQISLSEHLUAMY-HSALFYBXSA-N 1 0 320.436 3.071 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC1(C)CC(F)(F)C1 ZINC000720976114 658275434 /nfs/dbraw/zinc/27/54/34/658275434.db2.gz CHLPXCZUVLVGSI-UHFFFAOYSA-N 1 0 306.397 3.315 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000721867464 658292023 /nfs/dbraw/zinc/29/20/23/658292023.db2.gz DVAZLVLHTNQBER-NSHDSACASA-N 1 0 316.214 3.181 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000721874205 658316188 /nfs/dbraw/zinc/31/61/88/658316188.db2.gz ZEWIEYFMHMKHGZ-JTQLQIEISA-N 1 0 303.233 3.168 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000721873814 658317083 /nfs/dbraw/zinc/31/70/83/658317083.db2.gz NNMPGABNMQYRAP-LLVKDONJSA-N 1 0 316.214 3.181 10 0 DGAERO CCO[C@H]1CCC[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)C1 ZINC000721159817 658575986 /nfs/dbraw/zinc/57/59/86/658575986.db2.gz NDNDXWCFUOQILJ-ZJUUUORDSA-N 1 0 305.287 3.095 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2cnc3ccsc3c2)no1 ZINC000163585636 658838236 /nfs/dbraw/zinc/83/82/36/658838236.db2.gz YTEZMTKTPGKHQP-MWLCHTKSSA-N 1 0 300.387 3.189 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCCSC(C)(C)C ZINC000157288016 659042131 /nfs/dbraw/zinc/04/21/31/659042131.db2.gz QWBQZXGLKISTMQ-CQSZACIVSA-N 1 0 300.512 3.241 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc2c1NCCC2 ZINC000227602564 659158686 /nfs/dbraw/zinc/15/86/86/659158686.db2.gz ZQIZAHCBQHHBMU-UHFFFAOYSA-N 1 0 319.449 3.049 10 0 DGAERO OC1CCC(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000227652417 659160354 /nfs/dbraw/zinc/16/03/54/659160354.db2.gz DPJZTBFYVMAANX-UHFFFAOYSA-N 1 0 305.390 3.376 10 0 DGAERO CC(C)OCCC[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000171501272 659284365 /nfs/dbraw/zinc/28/43/65/659284365.db2.gz PBKDUXIYXDJENU-HNNXBMFYSA-N 1 0 314.470 3.181 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000229839888 659285739 /nfs/dbraw/zinc/28/57/39/659285739.db2.gz UYAXNHYJPITJBV-SSDMNJCBSA-N 1 0 318.417 3.156 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCOC1 ZINC000230259851 659322363 /nfs/dbraw/zinc/32/23/63/659322363.db2.gz SLFIFPQSLRSKGD-HOCLYGCPSA-N 1 0 318.417 3.399 10 0 DGAERO COC1CC([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000230689730 659346751 /nfs/dbraw/zinc/34/67/51/659346751.db2.gz MHLOSEBSMMPWCJ-UHFFFAOYSA-N 1 0 304.615 3.370 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccn1C ZINC000172630158 659347114 /nfs/dbraw/zinc/34/71/14/659347114.db2.gz YNAWVDWDEWYTHN-UHFFFAOYSA-N 1 0 309.454 3.198 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+]CC[C@H]1CCCO1)C(C)(C)C ZINC000230972818 659361421 /nfs/dbraw/zinc/36/14/21/659361421.db2.gz AHTLXAFUBIBFND-CQSZACIVSA-N 1 0 314.470 3.181 10 0 DGAERO O=C(CC1CCCC1)NC1CC[NH+](CCCCCCCO)CC1 ZINC000173720540 659398172 /nfs/dbraw/zinc/39/81/72/659398172.db2.gz MHQUAHPLJPTAEN-UHFFFAOYSA-N 1 0 324.509 3.090 10 0 DGAERO O=C(NCC1CCCCCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174183347 659419103 /nfs/dbraw/zinc/41/91/03/659419103.db2.gz ZKFOXNJHCZXJIM-KRWDZBQOSA-N 1 0 305.466 3.003 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)o1 ZINC000311883819 659491306 /nfs/dbraw/zinc/49/13/06/659491306.db2.gz WZOUVRWUHRRUFR-LLVKDONJSA-N 1 0 311.426 3.074 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCSC(C)(C)C)[C@@H](C)C1 ZINC000245551894 659516704 /nfs/dbraw/zinc/51/67/04/659516704.db2.gz PJVGQAQCKSTRAM-GJZGRUSLSA-N 1 0 314.539 3.487 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000312580907 659541477 /nfs/dbraw/zinc/54/14/77/659541477.db2.gz KNQWWAAKEJGGCB-GHMZBOCLSA-N 1 0 305.390 3.376 10 0 DGAERO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000721986613 659631283 /nfs/dbraw/zinc/63/12/83/659631283.db2.gz XSKJNOUDMKHZID-NSHDSACASA-N 1 0 302.205 3.113 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(C(C)(C)C)cc1 ZINC000170832095 659916994 /nfs/dbraw/zinc/91/69/94/659916994.db2.gz TWCFNCCYRHPTAC-PBHICJAKSA-N 1 0 317.477 3.391 10 0 DGAERO C[C@H]1CSCC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000179613093 659935846 /nfs/dbraw/zinc/93/58/46/659935846.db2.gz GIJSTGSFRYJRHY-FZMZJTMJSA-N 1 0 310.850 3.270 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)NC2(c3ccc(F)cc3)CCCC2)C1 ZINC000238011152 659952969 /nfs/dbraw/zinc/95/29/69/659952969.db2.gz WJHNQNSXXBOIDO-CJNGLKHVSA-N 1 0 304.409 3.229 10 0 DGAERO CSCCCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000180578038 659965778 /nfs/dbraw/zinc/96/57/78/659965778.db2.gz GVDGMKULZNOHGH-ZIAGYGMSSA-N 1 0 316.511 3.365 10 0 DGAERO Brc1ccccc1CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353519591 659995184 /nfs/dbraw/zinc/99/51/84/659995184.db2.gz MUCJRMIBVCUXDE-AWEZNQCLSA-N 1 0 320.234 3.382 10 0 DGAERO c1cnc2cc(-c3noc([C@@H]4C[C@H]5CCCC[C@@H]5[NH2+]4)n3)ccc2n1 ZINC000324960463 660104321 /nfs/dbraw/zinc/10/43/21/660104321.db2.gz WYKFLTXTGXXHQI-FFSVYQOJSA-N 1 0 321.384 3.273 10 0 DGAERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000183634690 660128266 /nfs/dbraw/zinc/12/82/66/660128266.db2.gz PWEAVAJATHAATD-IUODEOHRSA-N 1 0 304.346 3.098 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000184466157 660169471 /nfs/dbraw/zinc/16/94/71/660169471.db2.gz VVLGHVBJPJHKBL-ZIAGYGMSSA-N 1 0 308.422 3.496 10 0 DGAERO COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)CCC(C)C)c1O ZINC000184708958 660182432 /nfs/dbraw/zinc/18/24/32/660182432.db2.gz CGOUEBVUZREQKE-MRXNPFEDSA-N 1 0 315.841 3.331 10 0 DGAERO COC[C@@H](C)CNc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000187531836 661801527 /nfs/dbraw/zinc/80/15/27/661801527.db2.gz QYVQOQJCFDUBDX-INIZCTEOSA-N 1 0 306.450 3.246 10 0 DGAERO C[C@](O)(CC[NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000189840820 661993108 /nfs/dbraw/zinc/99/31/08/661993108.db2.gz DLCRBQUQTPQAED-FQEVSTJZSA-N 1 0 321.424 3.464 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3cc4[nH]cccc-4c3=O)C2)c1 ZINC000190305344 662027326 /nfs/dbraw/zinc/02/73/26/662027326.db2.gz OISXOLZVYKKVDL-MRXNPFEDSA-N 1 0 321.424 3.101 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000077460328 662027823 /nfs/dbraw/zinc/02/78/23/662027823.db2.gz XJYPIDQQPHVWMP-KRWDZBQOSA-N 1 0 303.427 3.310 10 0 DGAERO CC(=O)CC(C)(C)CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000190530135 662035287 /nfs/dbraw/zinc/03/52/87/662035287.db2.gz BRNHLJZHSVMPAT-QGZVFWFLSA-N 1 0 317.429 3.200 10 0 DGAERO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)CC3CC3)C2=O)c(C)c1 ZINC000190967375 662050290 /nfs/dbraw/zinc/05/02/90/662050290.db2.gz JJTGPRIEVRBHTI-WBVHZDCISA-N 1 0 300.446 3.495 10 0 DGAERO C=C[C@](C)(CCOC)COC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000191173106 662056072 /nfs/dbraw/zinc/05/60/72/662056072.db2.gz WKOUOSUIZNAXQD-FUHWJXTLSA-N 1 0 311.466 3.269 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@H](O)c2cc(C)cc(C)c2)cc1O ZINC000080962317 662157209 /nfs/dbraw/zinc/15/72/09/662157209.db2.gz YTJBUVZJWZVRIB-SFHVURJKSA-N 1 0 315.413 3.183 10 0 DGAERO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000194545955 662168280 /nfs/dbraw/zinc/16/82/80/662168280.db2.gz WUCBUZDNQSWGAC-YOEHRIQHSA-N 1 0 312.454 3.208 10 0 DGAERO CCC[C@]1([NH2+]Cc2nc(C)c(Br)s2)CCOC1 ZINC000719218228 662271549 /nfs/dbraw/zinc/27/15/49/662271549.db2.gz MAUXMHAIGORQTG-LBPRGKRZSA-N 1 0 319.268 3.263 10 0 DGAERO COC1CC(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)C1 ZINC000717993302 662213195 /nfs/dbraw/zinc/21/31/95/662213195.db2.gz AOFQWFXMOYRBIQ-OPQOLIRYSA-N 1 0 303.446 3.385 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(C(F)(F)F)s1 ZINC000717999133 662213268 /nfs/dbraw/zinc/21/32/68/662213268.db2.gz FBGPAOIQVBCFEW-IYSWYEEDSA-N 1 0 307.259 3.341 10 0 DGAERO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)s2)CC1=O ZINC000717959464 662213435 /nfs/dbraw/zinc/21/34/35/662213435.db2.gz VKLPDKMJLLTFCF-IUCAKERBSA-N 1 0 306.353 3.038 10 0 DGAERO C[C@H](NC(=O)CC1CC([NH3+])C1)c1ccc(Cl)cc1Cl ZINC000718090526 662221834 /nfs/dbraw/zinc/22/18/34/662221834.db2.gz DFRRJLBQAPXYIF-SILCLGDVSA-N 1 0 301.217 3.298 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000245883074 662243074 /nfs/dbraw/zinc/24/30/74/662243074.db2.gz LEOHILGPKBWEOM-KBAYOESNSA-N 1 0 321.461 3.158 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCCSC(C)(C)C)C1 ZINC000245877501 662243312 /nfs/dbraw/zinc/24/33/12/662243312.db2.gz JYVDAOHXTMVRCO-UONOGXRCSA-N 1 0 300.512 3.143 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000246273190 662252327 /nfs/dbraw/zinc/25/23/27/662252327.db2.gz MABQJWVGNBQECE-JQHSSLGASA-N 1 0 312.388 3.159 10 0 DGAERO CCC[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C[C@@H]1CCCCO1 ZINC000246398069 662257912 /nfs/dbraw/zinc/25/79/12/662257912.db2.gz XHPOTLDYLOBRQK-WMLDXEAASA-N 1 0 313.388 3.279 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)CC1 ZINC000718766758 662261231 /nfs/dbraw/zinc/26/12/31/662261231.db2.gz VMPQTVDUDJLHMI-PKOBYXMFSA-N 1 0 313.445 3.369 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000718778436 662261808 /nfs/dbraw/zinc/26/18/08/662261808.db2.gz RSFAAUDZQOULLO-GSEOLPGOSA-N 1 0 316.489 3.444 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]Cc2ncc(Br)s2)CC1 ZINC000718827971 662262329 /nfs/dbraw/zinc/26/23/29/662262329.db2.gz UPPUQNVEPLLZAM-VHSXEESVSA-N 1 0 319.268 3.343 10 0 DGAERO Cc1nc(CN[C@H](C)C[N@H+](C)C(C)C)sc1Br ZINC000719220097 662271622 /nfs/dbraw/zinc/27/16/22/662271622.db2.gz TUBWSUDPDBIRDT-SECBINFHSA-N 1 0 320.300 3.032 10 0 DGAERO Cc1nc(C[NH2+]CCc2ccco2)sc1Br ZINC000719289071 662273392 /nfs/dbraw/zinc/27/33/92/662273392.db2.gz USLPKSUCUPSOGQ-UHFFFAOYSA-N 1 0 301.209 3.139 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2cc(Br)cs2)CCSC1 ZINC000719302517 662273535 /nfs/dbraw/zinc/27/35/35/662273535.db2.gz NIFVJKCXGVKIOD-LLVKDONJSA-N 1 0 322.293 3.122 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2ccc(Br)s2)CCSC1 ZINC000719303732 662273725 /nfs/dbraw/zinc/27/37/25/662273725.db2.gz UCLWVWZJGCJQCH-LLVKDONJSA-N 1 0 322.293 3.122 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CCSC1 ZINC000719323894 662274079 /nfs/dbraw/zinc/27/40/79/662274079.db2.gz LICQKAWSFSGCEQ-CYBMUJFWSA-N 1 0 305.365 3.317 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCSC1 ZINC000719323410 662274087 /nfs/dbraw/zinc/27/40/87/662274087.db2.gz JMFGAMBXXXLWCV-CYBMUJFWSA-N 1 0 305.365 3.317 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1cc(Br)cs1 ZINC000719650547 662295341 /nfs/dbraw/zinc/29/53/41/662295341.db2.gz YNHFMPBHIGRELX-ATZCPNFKSA-N 1 0 303.269 3.254 10 0 DGAERO C[C@H](O)CCC[N@H+](C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000719990506 662300251 /nfs/dbraw/zinc/30/02/51/662300251.db2.gz NIIVSCWUPKQHIU-HKUYNNGSSA-N 1 0 304.478 3.134 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]Cc1cccc(O)c1Br ZINC000720140801 662302695 /nfs/dbraw/zinc/30/26/95/662302695.db2.gz LWZVLCKPSBHPCV-VIFPVBQESA-N 1 0 302.212 3.058 10 0 DGAERO OCC[C@@H]1CCCC[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000247219980 662303538 /nfs/dbraw/zinc/30/35/38/662303538.db2.gz VWBGDBLDROAXJL-JKSUJKDBSA-N 1 0 322.836 3.070 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000720229144 662306385 /nfs/dbraw/zinc/30/63/85/662306385.db2.gz BOVCCIXLFWJDJX-VIFPVBQESA-N 1 0 319.232 3.335 10 0 DGAERO CC(C)[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)CCS1 ZINC000247695266 662327368 /nfs/dbraw/zinc/32/73/68/662327368.db2.gz WQGVCNHFVKFXJY-CABCVRRESA-N 1 0 301.402 3.072 10 0 DGAERO CC(C)[C@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)CCS1 ZINC000247695268 662327555 /nfs/dbraw/zinc/32/75/55/662327555.db2.gz WQGVCNHFVKFXJY-HUUCEWRRSA-N 1 0 301.402 3.072 10 0 DGAERO CC[C@@H](C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000248266633 662338517 /nfs/dbraw/zinc/33/85/17/662338517.db2.gz YCQGARTUSIVJST-QZTJIDSGSA-N 1 0 319.445 3.080 10 0 DGAERO CC(C)N1C[C@H](C)[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000249054361 662363685 /nfs/dbraw/zinc/36/36/85/662363685.db2.gz XGURUKWNDMZNII-WMLDXEAASA-N 1 0 318.461 3.150 10 0 DGAERO C[C@@H]1c2sccc2CC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000712313144 685275245 /nfs/dbraw/zinc/27/52/45/685275245.db2.gz HBHFUXZPZIPMFI-RHSMWYFYSA-N 1 0 317.454 3.245 10 0 DGAERO c1ccc(CN2CCCC[C@H]2C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000379619321 685148982 /nfs/dbraw/zinc/14/89/82/685148982.db2.gz BKVTXZQELFHMAH-MOPGFXCFSA-N 1 0 302.462 3.057 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000380960276 685155150 /nfs/dbraw/zinc/15/51/50/685155150.db2.gz WGNRDMNSIARXCN-ZQIUZPCESA-N 1 0 318.461 3.435 10 0 DGAERO Cc1cc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)ccc1F ZINC000381777261 685159911 /nfs/dbraw/zinc/15/99/11/685159911.db2.gz WTWBIJPSESEAMV-WAYWQWQTSA-N 1 0 308.397 3.305 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000381948021 685160422 /nfs/dbraw/zinc/16/04/22/685160422.db2.gz AMLVZSSGMYPZBZ-MCIONIFRSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@H](CNCc1ccsc1Br)[NH+]1CCCCC1 ZINC000388831684 685190581 /nfs/dbraw/zinc/19/05/81/685190581.db2.gz PPQSFJNHSMXRDO-NSHDSACASA-N 1 0 317.296 3.475 10 0 DGAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCCCCOCc1ccccc1 ZINC000390705400 685204586 /nfs/dbraw/zinc/20/45/86/685204586.db2.gz GGHRNOGBJPIRMN-ZWKOTPCHSA-N 1 0 318.461 3.007 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCOC(F)F)cc1Br ZINC000398269803 685236260 /nfs/dbraw/zinc/23/62/60/685236260.db2.gz UAQZQUFWGZLMTC-MRVPVSSYSA-N 1 0 324.165 3.348 10 0 DGAERO Fc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC000390962341 685208389 /nfs/dbraw/zinc/20/83/89/685208389.db2.gz BBCBELMVSYHHSC-MQVJKMGUSA-N 1 0 312.392 3.223 10 0 DGAERO Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)n1 ZINC000396615251 685228242 /nfs/dbraw/zinc/22/82/42/685228242.db2.gz GWXQOZVUOKOXFR-HOCLYGCPSA-N 1 0 319.449 3.268 10 0 DGAERO Cc1cccc(C)c1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000397613489 685230682 /nfs/dbraw/zinc/23/06/82/685230682.db2.gz DBPMHEKTMOAYRB-UHFFFAOYSA-N 1 0 304.434 3.260 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1csc(Br)c1 ZINC000397424257 685230911 /nfs/dbraw/zinc/23/09/11/685230911.db2.gz WDAUZWYBJHMBGH-YOGCLGLASA-N 1 0 315.280 3.355 10 0 DGAERO CC1=C[C@H](C)C[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000397859680 685233391 /nfs/dbraw/zinc/23/33/91/685233391.db2.gz WXBKRGJQQMDXLI-DZGCQCFKSA-N 1 0 308.466 3.435 10 0 DGAERO C[C@H]([NH2+]CCOC(F)F)c1ccc(F)c(Br)c1 ZINC000398130621 685235676 /nfs/dbraw/zinc/23/56/76/685235676.db2.gz NQNSCKXOKZILJJ-ZETCQYMHSA-N 1 0 312.129 3.478 10 0 DGAERO FC(F)OCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000398255296 685236167 /nfs/dbraw/zinc/23/61/67/685236167.db2.gz LZZSOUBAVLLDRY-SNVBAGLBSA-N 1 0 322.149 3.102 10 0 DGAERO COc1ccc(C[NH2+]CCOCc2ccccc2)cc1OC ZINC000080244575 1176241394 /nfs/dbraw/zinc/24/13/94/1176241394.db2.gz TWCNLAVUIGHJOB-UHFFFAOYSA-N 1 0 301.386 3.010 10 0 DGAERO CCCn1cncc1C[NH2+]CCCN(CC)C(=O)OC(C)(C)C ZINC000227618463 1176300064 /nfs/dbraw/zinc/30/00/64/1176300064.db2.gz LGOITLFCGMZBQE-UHFFFAOYSA-N 1 0 324.469 3.030 10 0 DGAERO Cc1sc(C[NH2+]CCN(C)C(C)C)cc1Br ZINC000227827500 1176555505 /nfs/dbraw/zinc/55/55/05/1176555505.db2.gz HEIYUHIUNJSOFX-UHFFFAOYSA-N 1 0 305.285 3.249 10 0 DGAERO CO[C@H](C[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1CC1 ZINC000378825011 1176737517 /nfs/dbraw/zinc/73/75/17/1176737517.db2.gz OSNYKLWEGJTWJY-DZGCQCFKSA-N 1 0 314.470 3.085 10 0 DGAERO CC[S@@](=O)CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000394426981 1176746520 /nfs/dbraw/zinc/74/65/20/1176746520.db2.gz VQMMHFJTDVKVFT-JOCHJYFZSA-N 1 0 317.454 3.124 10 0 DGAERO c1ccc2c(c1)OC[C@@H](C[NH2+]Cc1cccc3cnccc31)O2 ZINC000378887831 1176747780 /nfs/dbraw/zinc/74/77/80/1176747780.db2.gz JDTFNCLFVMUSAN-MRXNPFEDSA-N 1 0 306.365 3.164 10 0 DGAERO CCOc1cccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC000397880748 1177013438 /nfs/dbraw/zinc/01/34/38/1177013438.db2.gz YLDSXTMZNXWFAC-UHFFFAOYSA-N 1 0 322.449 3.480 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1I ZINC000307579419 1177023665 /nfs/dbraw/zinc/02/36/65/1177023665.db2.gz PQPMGOAPELSPSN-BXKDBHETSA-N 1 0 301.171 3.179 10 0 DGAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)cs3)C[C@@H]2C1 ZINC000398688961 1177027270 /nfs/dbraw/zinc/02/72/70/1177027270.db2.gz BNXUPTPZSZVLJU-JFGNBEQYSA-N 1 0 316.264 3.103 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1Br ZINC000384972183 1177146492 /nfs/dbraw/zinc/14/64/92/1177146492.db2.gz YDBCXNKLMQXJEY-DNSOKLHBSA-N 1 0 304.253 3.475 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1F ZINC000085355933 1177644866 /nfs/dbraw/zinc/64/48/66/1177644866.db2.gz WFVOVLIBGBSLPK-KOLCDFICSA-N 1 0 315.186 3.044 10 0 DGAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000085357273 1177646914 /nfs/dbraw/zinc/64/69/14/1177646914.db2.gz TXZGBMYHAKRNFJ-GXTWGEPZSA-N 1 0 315.244 3.170 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000085370646 1177713320 /nfs/dbraw/zinc/71/33/20/1177713320.db2.gz LBHHXDJNEWUERP-BXKDBHETSA-N 1 0 304.287 3.301 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000085375310 1177713786 /nfs/dbraw/zinc/71/37/86/1177713786.db2.gz WXYODLUQRFHBLE-DGCLKSJQSA-N 1 0 311.223 3.214 10 0 DGAERO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388470906 1178073012 /nfs/dbraw/zinc/07/30/12/1178073012.db2.gz IOFQXGDYUNOQSV-UFYCRDLUSA-N 1 0 316.489 3.134 10 0 DGAERO CN1CCCC[C@@H]1C[NH2+]Cc1csc(Br)c1 ZINC000044561243 1194286853 /nfs/dbraw/zinc/28/68/53/1194286853.db2.gz SYSBULNDQJEVGO-LLVKDONJSA-N 1 0 303.269 3.085 10 0 DGAERO CN1CCCC[C@@H]1C[NH2+]Cc1sccc1Br ZINC000044562860 1194287415 /nfs/dbraw/zinc/28/74/15/1194287415.db2.gz UGGXVQNJPQCQLX-SNVBAGLBSA-N 1 0 303.269 3.085 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1N)c1cccs1 ZINC000059927924 1195125771 /nfs/dbraw/zinc/12/57/71/1195125771.db2.gz KZQVEOVLMPAVOK-CYBMUJFWSA-N 1 0 323.849 3.016 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCCc2cnn(C)c2)cc1Cl ZINC000066992057 1195583697 /nfs/dbraw/zinc/58/36/97/1195583697.db2.gz IUNUOEIADUGSQN-UHFFFAOYSA-N 1 0 319.836 3.361 10 0 DGAERO COc1ccc(C[NH2+]CCCn2cccn2)cc1OCC(C)C ZINC000067186414 1195604304 /nfs/dbraw/zinc/60/43/04/1195604304.db2.gz SCNJGTTWCDRKBU-UHFFFAOYSA-N 1 0 317.433 3.106 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(C)o1 ZINC000067728675 1195662758 /nfs/dbraw/zinc/66/27/58/1195662758.db2.gz MWPQXAMABGARNI-ZFWWWQNUSA-N 1 0 309.454 3.233 10 0 DGAERO c1ccc(OC2CCCC2)c(C[NH2+]CCOC[C@H]2CCOC2)c1 ZINC000068994127 1195764139 /nfs/dbraw/zinc/76/41/39/1195764139.db2.gz OKAJOVONGDTFPM-INIZCTEOSA-N 1 0 319.445 3.151 10 0 DGAERO C=CCN1CCC([NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC000072738109 1196109698 /nfs/dbraw/zinc/10/96/98/1196109698.db2.gz UYMPJZFFZMLEOI-UHFFFAOYSA-N 1 0 323.278 3.498 10 0 DGAERO C[C@@]1(C(=O)Nc2ccc(SC(F)(F)F)cc2)CCC[NH2+]1 ZINC000079514983 1196964867 /nfs/dbraw/zinc/96/48/67/1196964867.db2.gz NUPQYXRZHGHHDN-LBPRGKRZSA-N 1 0 304.337 3.379 10 0 DGAERO c1csc(-c2ncc(CNCCC[NH+]3CCCC3)s2)c1 ZINC000083447755 1197429278 /nfs/dbraw/zinc/42/92/78/1197429278.db2.gz VFPFLQRPYUIWDL-UHFFFAOYSA-N 1 0 307.488 3.447 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]CCOC1CCCCC1 ZINC000378963773 1197702445 /nfs/dbraw/zinc/70/24/45/1197702445.db2.gz YTLBIHJDWRCRLG-UHFFFAOYSA-N 1 0 313.445 3.370 10 0 DGAERO COCC1(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)CCC1 ZINC000379620725 1197703408 /nfs/dbraw/zinc/70/34/08/1197703408.db2.gz DGDUXEWUXAFNCQ-LJQANCHMSA-N 1 0 316.489 3.447 10 0 DGAERO Cc1n[nH]c(C)c1CNCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379649837 1197704244 /nfs/dbraw/zinc/70/42/44/1197704244.db2.gz PWVJISFBUDLASH-AWEZNQCLSA-N 1 0 300.450 3.027 10 0 DGAERO c1ncc(C[NH2+]CCc2cccc(OCc3ccccc3)c2)[nH]1 ZINC000381030836 1197705009 /nfs/dbraw/zinc/70/50/09/1197705009.db2.gz ZQZOQASGRIDMKM-UHFFFAOYSA-N 1 0 307.397 3.321 10 0 DGAERO COC1(C[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)CCC1 ZINC000381949780 1197705047 /nfs/dbraw/zinc/70/50/47/1197705047.db2.gz BSDICCPCWCEWPD-CQSZACIVSA-N 1 0 314.470 3.229 10 0 DGAERO C[N@H+](CCCOCc1ccccc1)CCC(=O)OC(C)(C)C ZINC000383637696 1197706044 /nfs/dbraw/zinc/70/60/44/1197706044.db2.gz ZNAZJWUNNYAKMG-UHFFFAOYSA-N 1 0 307.434 3.257 10 0 DGAERO C[N@H+](CCNc1c(F)cc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000386719218 1197707815 /nfs/dbraw/zinc/70/78/15/1197707815.db2.gz RNSBLSXWBLPYIG-UHFFFAOYSA-N 1 0 321.327 3.417 10 0 DGAERO Cc1nc2ccccn2c1C[NH2+]CCCOCc1ccccc1 ZINC000390068306 1197711552 /nfs/dbraw/zinc/71/15/52/1197711552.db2.gz FSOGVTLKUPYRRK-UHFFFAOYSA-N 1 0 309.413 3.339 10 0 DGAERO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000390728935 1197713524 /nfs/dbraw/zinc/71/35/24/1197713524.db2.gz ULZQRMFPBMMMLW-CRAIPNDOSA-N 1 0 306.413 3.337 10 0 DGAERO c1cc2cnccc2c(C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000393439117 1197718913 /nfs/dbraw/zinc/71/89/13/1197718913.db2.gz UGXZRJTXIIJCJF-UHFFFAOYSA-N 1 0 306.365 3.296 10 0 DGAERO CC[C@@H]1CCC[C@@H](C[NH2+]Cc2nn(C)cc2Br)C1 ZINC000394609292 1197722542 /nfs/dbraw/zinc/72/25/42/1197722542.db2.gz INYMCICICYUXTD-VXGBXAGGSA-N 1 0 314.271 3.489 10 0 DGAERO C[N@H+](CCNCc1ccn(-c2ccccc2)n1)Cc1ccccc1 ZINC000091057974 1198338193 /nfs/dbraw/zinc/33/81/93/1198338193.db2.gz AOLQDDXGOGTXJC-UHFFFAOYSA-N 1 0 320.440 3.094 10 0 DGAERO c1nc(C[NH2+]CCOc2cccnc2)sc1-c1ccccc1 ZINC000092393883 1198568348 /nfs/dbraw/zinc/56/83/48/1198568348.db2.gz NSJIOOMLROPRDZ-UHFFFAOYSA-N 1 0 311.410 3.374 10 0 DGAERO CC(C)[C@@H]([NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000401950558 1199427035 /nfs/dbraw/zinc/42/70/35/1199427035.db2.gz LWULWNJQQMMKJK-QZTJIDSGSA-N 1 0 316.445 3.422 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3Br)C2)CO1 ZINC000402006300 1199429874 /nfs/dbraw/zinc/42/98/74/1199429874.db2.gz QQJKJCAKXKFFLJ-IKWCTNDRSA-N 1 0 310.235 3.462 10 0 DGAERO CC(C)=CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404418937 1199554668 /nfs/dbraw/zinc/55/46/68/1199554668.db2.gz HNSYAKAOORIJNZ-BBWFWOEESA-N 1 0 300.446 3.463 10 0 DGAERO CCCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404493614 1199563480 /nfs/dbraw/zinc/56/34/80/1199563480.db2.gz DBTJFURFJKWDMY-YESZJQIVSA-N 1 0 317.477 3.479 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H]2CSC2(C)C)C1(C)C ZINC000404827160 1199587531 /nfs/dbraw/zinc/58/75/31/1199587531.db2.gz VUUYZJIZXWRHOV-IJLUTSLNSA-N 1 0 314.495 3.162 10 0 DGAERO C[C@@H]([NH2+]Cc1csc(Br)c1)c1cnn(C)c1 ZINC000303220038 1199589332 /nfs/dbraw/zinc/58/93/32/1199589332.db2.gz PNJWVYPFNMPPID-MRVPVSSYSA-N 1 0 300.225 3.095 10 0 DGAERO CCCn1cncc1C[NH2+][C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000405998163 1199601600 /nfs/dbraw/zinc/60/16/00/1199601600.db2.gz XUYCUIJHAOCBMS-IBGZPJMESA-N 1 0 312.461 3.047 10 0 DGAERO CCC(C)(C)OCCNc1nc(C)nc(C)c1Br ZINC000308531811 1199704333 /nfs/dbraw/zinc/70/43/33/1199704333.db2.gz RKSCKSOPQVDEAA-UHFFFAOYSA-N 1 0 316.243 3.473 10 0 DGAERO COc1cc(F)cc(CNCCC[N@H+](C)Cc2ccccc2)c1 ZINC000312290871 1199750530 /nfs/dbraw/zinc/75/05/30/1199750530.db2.gz XLGMKHFWBKOMBE-UHFFFAOYSA-N 1 0 316.420 3.446 10 0 DGAERO Clc1ccc(C[NH2+]CCOC[C@H]2CCCO2)cc1Cl ZINC000115625853 1199756723 /nfs/dbraw/zinc/75/67/23/1199756723.db2.gz JSHQGEMIXLULII-GFCCVEGCSA-N 1 0 304.217 3.279 10 0 DGAERO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(Br)cs1 ZINC000116879029 1199815546 /nfs/dbraw/zinc/81/55/46/1199815546.db2.gz JHIDLDLDSLVTNI-BXKDBHETSA-N 1 0 304.253 3.246 10 0 DGAERO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(Br)cs1 ZINC000116879027 1199815530 /nfs/dbraw/zinc/81/55/30/1199815530.db2.gz JHIDLDLDSLVTNI-JOYOIKCWSA-N 1 0 304.253 3.246 10 0 DGAERO CC(C)=CC[NH2+]Cc1ccc(I)cc1 ZINC000229112399 1201097916 /nfs/dbraw/zinc/09/79/16/1201097916.db2.gz CCXYWGVAFXZPNB-UHFFFAOYSA-N 1 0 301.171 3.347 10 0 DGAERO c1nc(C2CCCC2)sc1C[NH2+]CCOc1cccnc1 ZINC000136144602 1201209151 /nfs/dbraw/zinc/20/91/51/1201209151.db2.gz IISXASHWUSHAAU-UHFFFAOYSA-N 1 0 303.431 3.364 10 0 DGAERO O[C@H]1CC[C@@H](C[NH2+]C2CC(c3ccccc3Br)C2)C1 ZINC000227560375 1202565413 /nfs/dbraw/zinc/56/54/13/1202565413.db2.gz UEEPLBMXKKKVNG-RYSNWHEDSA-N 1 0 324.262 3.446 10 0 DGAERO c1nc2cnccn2c1C[NH2+]CCc1ccc2ccccc2c1 ZINC000156710095 1202601157 /nfs/dbraw/zinc/60/11/57/1202601157.db2.gz VJMPJUKJQJWODV-UHFFFAOYSA-N 1 0 302.381 3.215 10 0 DGAERO c1cnn(Cc2cccc(C[NH2+]Cc3ccc4c[nH]nc4c3)c2)c1 ZINC000236578143 1202612840 /nfs/dbraw/zinc/61/28/40/1202612840.db2.gz MCGOTSMDGQXVMA-UHFFFAOYSA-N 1 0 317.396 3.098 10 0 DGAERO c1[nH]nc2cc(CN[C@H](C[NH+]3CCCC3)c3ccccc3)ccc12 ZINC000236657172 1202617151 /nfs/dbraw/zinc/61/71/51/1202617151.db2.gz WWYARFHNWCTJTG-HXUWFJFHSA-N 1 0 320.440 3.490 10 0 DGAERO C[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)CC1CCC1 ZINC000187020265 1202984440 /nfs/dbraw/zinc/98/44/40/1202984440.db2.gz ACSNPIQEAPVKNJ-CQSZACIVSA-N 1 0 316.214 3.354 10 0 DGAERO Clc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cn1 ZINC000245932699 1203701896 /nfs/dbraw/zinc/70/18/96/1203701896.db2.gz VDIGZUQVKKYVJI-KBPBESRZSA-N 1 0 312.866 3.222 10 0 DGAERO CCCCCOc1cc(C[NH2+][C@H]2CCC[C@@H]2O)ccc1OC ZINC000172633302 1203874329 /nfs/dbraw/zinc/87/43/29/1203874329.db2.gz BYWSYARWNGONMJ-HOTGVXAUSA-N 1 0 307.434 3.267 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000261680049 1204128975 /nfs/dbraw/zinc/12/89/75/1204128975.db2.gz HTSHELBMXTWLKK-VXGBXAGGSA-N 1 0 308.388 3.236 10 0 DGAERO C[C@@H](CC[NH+](C)C)Nc1nc2cc(Br)ccc2o1 ZINC000705917328 1081808584 /nfs/dbraw/zinc/80/85/84/1081808584.db2.gz OCWUOPRNGGIWEE-VIFPVBQESA-N 1 0 312.211 3.342 10 0 DGAERO CCC[C@@H]([NH2+]Cc1nn(C)cc1Br)[C@@H]1CC1(C)C ZINC000397655776 1081963601 /nfs/dbraw/zinc/96/36/01/1081963601.db2.gz BRPGLXGLCHBFMN-CMPLNLGQSA-N 1 0 314.271 3.487 10 0 DGAERO CCN1CC[C@H]1C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000712551674 1085751915 /nfs/dbraw/zinc/75/19/15/1085751915.db2.gz ZJONYWDYOTZQJA-WFASDCNBSA-N 1 0 311.267 3.064 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000401726193 1092150985 /nfs/dbraw/zinc/15/09/85/1092150985.db2.gz LNORCTVKUADLQT-GHMZBOCLSA-N 1 0 310.360 3.174 10 0 DGAERO C[C@H]([NH2+]CCOC(C)(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400481015 1093899396 /nfs/dbraw/zinc/89/93/96/1093899396.db2.gz FONLHYLYASUNQZ-UONOGXRCSA-N 1 0 314.470 3.179 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400514700 1093900075 /nfs/dbraw/zinc/90/00/75/1093900075.db2.gz MOYKUELQKJEMOB-MNOVXSKESA-N 1 0 306.397 3.265 10 0 DGAERO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(F)F ZINC000401105484 1093936211 /nfs/dbraw/zinc/93/62/11/1093936211.db2.gz FQMZJRRTOGWNMT-ZDEQEGDKSA-N 1 0 318.408 3.265 10 0 DGAERO Cc1cccc(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)n1 ZINC000401674832 1093963062 /nfs/dbraw/zinc/96/30/62/1093963062.db2.gz NQWNLYMWXLYOLT-BBRMVZONSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS2)CN(C(=O)OC(C)(C)C)C1 ZINC000401722882 1093968396 /nfs/dbraw/zinc/96/83/96/1093968396.db2.gz JYUBJVDEZGKLJC-RDBSUJKOSA-N 1 0 314.495 3.117 10 0 DGAERO CCOCCCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401801317 1093973314 /nfs/dbraw/zinc/97/33/14/1093973314.db2.gz NCVZPVRDDZKFHU-GJZGRUSLSA-N 1 0 314.470 3.038 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C12CCC2 ZINC000404764807 1094268429 /nfs/dbraw/zinc/26/84/29/1094268429.db2.gz VEWSMPPOUVZPJX-GJZGRUSLSA-N 1 0 317.433 3.007 10 0 DGAERO C[C@@H]1OC[C@H]([NH2+]CCc2ccc(Br)s2)[C@@H]1C ZINC000405746844 1094427072 /nfs/dbraw/zinc/42/70/72/1094427072.db2.gz WYLSVFQSAOIDFG-YWVKMMECSA-N 1 0 304.253 3.066 10 0 DGAERO COCC[C@@H](C)[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC000309947852 1094843225 /nfs/dbraw/zinc/84/32/25/1094843225.db2.gz DSNMADUWNBXEDD-UONOGXRCSA-N 1 0 302.459 3.085 10 0 DGAERO CC[N@H+](CCNc1ncc(Br)cc1Cl)C1CC1 ZINC000218969342 1094925957 /nfs/dbraw/zinc/92/59/57/1094925957.db2.gz FUNQKQGNBJLHRH-UHFFFAOYSA-N 1 0 318.646 3.394 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CCCn1ccnc1 ZINC000151311023 1099520828 /nfs/dbraw/zinc/52/08/28/1099520828.db2.gz MXOBZSNFWVTCHM-UHFFFAOYSA-N 1 0 308.223 3.134 10 0 DGAERO CC1(C)C[C@H]([NH2+]Cc2sncc2Br)C(C)(C)O1 ZINC000722768645 1102608702 /nfs/dbraw/zinc/60/87/02/1102608702.db2.gz ICFGPIOCZRQIHR-JTQLQIEISA-N 1 0 319.268 3.341 10 0 DGAERO COCC1(C[NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)CCC1 ZINC000718010264 1104479957 /nfs/dbraw/zinc/47/99/57/1104479957.db2.gz ZMPJOZPAPPHOMF-IBGZPJMESA-N 1 0 316.489 3.303 10 0 DGAERO Clc1cccc(CNCC[NH+]2CCCC2)c1Br ZINC000719392986 1104908135 /nfs/dbraw/zinc/90/81/35/1104908135.db2.gz GIWGTMBCSBBNFZ-UHFFFAOYSA-N 1 0 317.658 3.288 10 0 DGAERO C[C@@H]1[C@H]([NH2+]Cc2cccc(Br)c2Cl)CCN1C ZINC000719599982 1104957575 /nfs/dbraw/zinc/95/75/75/1104957575.db2.gz KAYRWDKAOBJENA-BXKDBHETSA-N 1 0 317.658 3.285 10 0 DGAERO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000724120562 1106628432 /nfs/dbraw/zinc/62/84/32/1106628432.db2.gz MFRWNTOTUQXVIW-CHWSQXEVSA-N 1 0 302.187 3.197 10 0 DGAERO COC1(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)CCCC1 ZINC000381903200 1108121963 /nfs/dbraw/zinc/12/19/63/1108121963.db2.gz WZNXYIYPNHPBES-UHFFFAOYSA-N 1 0 314.470 3.229 10 0 DGAERO Cc1cc(C[NH2+]Cc2cc[nH]c(=O)c2)ccc1Br ZINC000392906579 1108939924 /nfs/dbraw/zinc/93/99/24/1108939924.db2.gz PPLSSMJBMOKONL-UHFFFAOYSA-N 1 0 307.191 3.148 10 0 DGAERO C[C@H](C(=O)NC[C@@H]1C[C@@H]1c1ccccc1)[NH+]1CCCCCC1 ZINC000074594362 185000625 /nfs/dbraw/zinc/00/06/25/185000625.db2.gz PQJNMZBUAWTQKK-BPQIPLTHSA-N 1 0 300.446 3.171 10 0 DGAERO Cc1nc2ccccc2nc1C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000172552110 282086986 /nfs/dbraw/zinc/08/69/86/282086986.db2.gz LDLPURBQOOJDLX-LJQANCHMSA-N 1 0 313.445 3.359 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cccc(Cl)c2Cl)C1 ZINC000300414544 546435569 /nfs/dbraw/zinc/43/55/69/546435569.db2.gz MDZNXQPXUHXUAC-NEPJUHHUSA-N 1 0 317.260 3.365 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)Oc1ccc(SC)cc1 ZINC000077000487 185065033 /nfs/dbraw/zinc/06/50/33/185065033.db2.gz XCMQGKBBUBTWIM-ZIAGYGMSSA-N 1 0 324.490 3.022 10 0 DGAERO CC(C)NC(=O)CC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000181255694 199272241 /nfs/dbraw/zinc/27/22/41/199272241.db2.gz SSZHKDKCLXUTAB-UHFFFAOYSA-N 1 0 310.388 3.238 10 0 DGAERO CCCCNC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181285843 199276190 /nfs/dbraw/zinc/27/61/90/199276190.db2.gz PJTUZWFMRDIPJJ-HNNXBMFYSA-N 1 0 311.429 3.316 10 0 DGAERO CC1(C)[C@H]([NH2+]CCCCOCc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000278670868 214315625 /nfs/dbraw/zinc/31/56/25/214315625.db2.gz JGCWBTGTXMZWDW-KSZLIROESA-N 1 0 303.446 3.387 10 0 DGAERO c1ccc(C[NH+](CCCNC2COC2)Cc2ccccc2)cc1 ZINC000307373342 231093496 /nfs/dbraw/zinc/09/34/96/231093496.db2.gz RUCDNKBILBGCEP-UHFFFAOYSA-N 1 0 310.441 3.067 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@H]1c1ccccc1 ZINC000079390042 185168254 /nfs/dbraw/zinc/16/82/54/185168254.db2.gz CMIHGQOARNQVFJ-GOSISDBHSA-N 1 0 315.461 3.409 10 0 DGAERO CCC[C@H]1C[NH2+]CCN1Cc1ccc(Br)s1 ZINC000082931373 185209654 /nfs/dbraw/zinc/20/96/54/185209654.db2.gz BXDZPNDHGOKDIJ-JTQLQIEISA-N 1 0 303.269 3.085 10 0 DGAERO CCCOc1ccc([C@H](O)[C@@H]2CCC[NH2+]2)cc1Br ZINC000083162891 185215183 /nfs/dbraw/zinc/21/51/83/185215183.db2.gz AYAKSZIOTQCYTR-JSGCOSHPSA-N 1 0 314.223 3.023 10 0 DGAERO CCc1c(C)[nH+]c2ccccc2c1NC[C@](C)(O)c1cnn(C)c1 ZINC000302029397 529492215 /nfs/dbraw/zinc/49/22/15/529492215.db2.gz JFYWMVXYLGQNNH-IBGZPJMESA-N 1 0 324.428 3.159 10 0 DGAERO [NH3+][C@@]1(Cc2ccc(Br)s2)COc2ccccc2C1 ZINC000088044401 185237989 /nfs/dbraw/zinc/23/79/89/185237989.db2.gz JWSCRHGVHDXSMN-AWEZNQCLSA-N 1 0 324.243 3.386 10 0 DGAERO c1ccc(-n2nc(C[N@@H+]3CCCSCC3)c3c2CCC3)cc1 ZINC000089982346 185274157 /nfs/dbraw/zinc/27/41/57/185274157.db2.gz IQYXQRHXPKAUHD-UHFFFAOYSA-N 1 0 313.470 3.300 10 0 DGAERO c1ccc(OC2CCC2)c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090027299 185278930 /nfs/dbraw/zinc/27/89/30/185278930.db2.gz FBLXPYVCSMVUGG-DLBZAZTESA-N 1 0 300.446 3.334 10 0 DGAERO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000090220028 185287109 /nfs/dbraw/zinc/28/71/09/185287109.db2.gz HFEOZDOQJHXXGL-CYBMUJFWSA-N 1 0 320.433 3.201 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccccc1OC(F)F)[S@](C)=O ZINC000090514238 185299911 /nfs/dbraw/zinc/29/99/11/185299911.db2.gz MSIPCNZNMKYNTL-QZXWKGOOSA-N 1 0 305.390 3.096 10 0 DGAERO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(-c2cccnc2)cc1 ZINC000082000643 192353858 /nfs/dbraw/zinc/35/38/58/192353858.db2.gz UEIJOGIAWFOXGS-HNNXBMFYSA-N 1 0 323.440 3.268 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000090666146 185308752 /nfs/dbraw/zinc/30/87/52/185308752.db2.gz OQTPYOUWZSIFQO-YGRLFVJLSA-N 1 0 309.335 3.462 10 0 DGAERO Cc1cn2c(C[NH+]3CCC(n4ccnc4)CC3)c(C)nc2s1 ZINC000092648884 185331483 /nfs/dbraw/zinc/33/14/83/185331483.db2.gz WWTWPOUNOXSHRH-UHFFFAOYSA-N 1 0 315.446 3.046 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(Br)s1 ZINC000092664788 185332409 /nfs/dbraw/zinc/33/24/09/185332409.db2.gz FBMVAXJYXSAUGT-NSHDSACASA-N 1 0 317.296 3.427 10 0 DGAERO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788668 185341263 /nfs/dbraw/zinc/34/12/63/185341263.db2.gz OEJMQSAAFJEVDN-HNNXBMFYSA-N 1 0 315.442 3.481 10 0 DGAERO COc1ccccc1C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000092813328 185343339 /nfs/dbraw/zinc/34/33/39/185343339.db2.gz GNRFJCOSCYQBAW-MRXNPFEDSA-N 1 0 311.429 3.333 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000092813229 185343438 /nfs/dbraw/zinc/34/34/38/185343438.db2.gz WPVBXCNHHAQXIX-KRWDZBQOSA-N 1 0 311.429 3.333 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)C2c3ccccc3Oc3ccccc32)C1 ZINC000170859461 282260892 /nfs/dbraw/zinc/26/08/92/282260892.db2.gz CLGNZNIJMGFZEK-AWEZNQCLSA-N 1 0 322.408 3.087 10 0 DGAERO CN1C(=O)C[C@H]([NH2+]Cc2cccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000092849916 185346616 /nfs/dbraw/zinc/34/66/16/185346616.db2.gz FTKNHNYNSFGTMK-HOCLYGCPSA-N 1 0 320.845 3.463 10 0 DGAERO CCc1csc([C@H]2CCC[N@@H+](Cc3cnn(CC)c3)C2)n1 ZINC000092789088 185341486 /nfs/dbraw/zinc/34/14/86/185341486.db2.gz KWYFKPOGUCGWNM-AWEZNQCLSA-N 1 0 304.463 3.302 10 0 DGAERO CC[C@@H]1C[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000183008520 199521694 /nfs/dbraw/zinc/52/16/94/199521694.db2.gz DKDBKASHUFPRBW-SJLPKXTDSA-N 1 0 316.445 3.426 10 0 DGAERO C[N@H+](CC1CC1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000434662393 529862358 /nfs/dbraw/zinc/86/23/58/529862358.db2.gz ICZGWTQYHYUAIX-HNNXBMFYSA-N 1 0 324.371 3.125 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2ccc3ccccc3n2)CC1 ZINC000129798631 432009030 /nfs/dbraw/zinc/00/90/30/432009030.db2.gz MGYVCFMYBVGFLI-UHFFFAOYSA-N 1 0 311.429 3.085 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103297502 185445307 /nfs/dbraw/zinc/44/53/07/185445307.db2.gz DTJYJDKXDSWDHU-IAGOWNOFSA-N 1 0 309.498 3.329 10 0 DGAERO COCCOCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000129896701 432010546 /nfs/dbraw/zinc/01/05/46/432010546.db2.gz BMRSFJVXQNUDJA-QGZVFWFLSA-N 1 0 319.445 3.466 10 0 DGAERO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1OCCc2ccccc21 ZINC000435137030 529982535 /nfs/dbraw/zinc/98/25/35/529982535.db2.gz JCTOUISYKSFZMZ-LJQANCHMSA-N 1 0 323.396 3.416 10 0 DGAERO C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000103505621 432011076 /nfs/dbraw/zinc/01/10/76/432011076.db2.gz QSTDJDWQBRYQQJ-CYBMUJFWSA-N 1 0 323.868 3.384 10 0 DGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCC1CCCC1 ZINC000129935389 432011253 /nfs/dbraw/zinc/01/12/53/432011253.db2.gz QGTSICNEBCNSBX-UHFFFAOYSA-N 1 0 315.866 3.413 10 0 DGAERO C[N@@H+](Cc1ccoc1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443479027 530012677 /nfs/dbraw/zinc/01/26/77/530012677.db2.gz VXKDOAGPYAACMZ-CQSZACIVSA-N 1 0 313.319 3.334 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000109073676 185549839 /nfs/dbraw/zinc/54/98/39/185549839.db2.gz GTDVLNXTGSZUMJ-GSPCDJLXSA-N 1 0 310.445 3.409 10 0 DGAERO O=C(Nc1ccccc1OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000066152611 432013279 /nfs/dbraw/zinc/01/32/79/432013279.db2.gz CXLCVIXJGURFDU-MRXNPFEDSA-N 1 0 310.397 3.204 10 0 DGAERO O=C(Nc1ccccc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC000066152515 432013284 /nfs/dbraw/zinc/01/32/84/432013284.db2.gz DGCQKBJBQJGSPU-UHFFFAOYSA-N 1 0 310.397 3.204 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000130057435 432013736 /nfs/dbraw/zinc/01/37/36/432013736.db2.gz JKTFJHBKFWGOLB-OAHLLOKOSA-N 1 0 320.433 3.129 10 0 DGAERO Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc(C)c1Br ZINC000232036724 201894382 /nfs/dbraw/zinc/89/43/82/201894382.db2.gz PBYRAZMZFHZKNF-WDEREUQCSA-N 1 0 311.223 3.132 10 0 DGAERO Cc1oc(-c2cccs2)nc1CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235364820 201915213 /nfs/dbraw/zinc/91/52/13/201915213.db2.gz VTSCXMNXVRVFCP-DGCLKSJQSA-N 1 0 305.447 3.271 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000130063692 432014140 /nfs/dbraw/zinc/01/41/40/432014140.db2.gz MJUCEWDGTJRYJC-CYBMUJFWSA-N 1 0 315.442 3.206 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc2cc(Cl)ccc2o1 ZINC000181937013 199365313 /nfs/dbraw/zinc/36/53/13/199365313.db2.gz GJEBJYNNNYEJJV-MFKMUULPSA-N 1 0 316.792 3.343 10 0 DGAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000181963504 199367584 /nfs/dbraw/zinc/36/75/84/199367584.db2.gz QRMMYCVNZAQUGU-INIZCTEOSA-N 1 0 302.374 3.062 10 0 DGAERO CC(C)[C@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000181985105 199370554 /nfs/dbraw/zinc/37/05/54/199370554.db2.gz SWILONKJIRNEDR-SJCJKPOMSA-N 1 0 310.388 3.262 10 0 DGAERO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000105185745 432017997 /nfs/dbraw/zinc/01/79/97/432017997.db2.gz GOCJVUOCDKMIML-GOEBONIOSA-N 1 0 321.852 3.063 10 0 DGAERO C[C@H](CNC(=O)N(Cc1ccco1)C1CCCC1)[N@H+](C)C1CC1 ZINC000105263393 432018715 /nfs/dbraw/zinc/01/87/15/432018715.db2.gz LLWWIGBCXVULTE-CQSZACIVSA-N 1 0 319.449 3.217 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)CC2 ZINC000130262465 432019473 /nfs/dbraw/zinc/01/94/73/432019473.db2.gz GPRDHDBYRCIJEP-UWVGGRQHSA-N 1 0 310.854 3.221 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000130257028 432019763 /nfs/dbraw/zinc/01/97/63/432019763.db2.gz XQEWZONRHMZEGV-UHFFFAOYSA-N 1 0 308.853 3.119 10 0 DGAERO CC(C)COc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000236688228 201965838 /nfs/dbraw/zinc/96/58/38/201965838.db2.gz ZOKCHUCOVHSRBF-RYUDHWBXSA-N 1 0 310.825 3.441 10 0 DGAERO c1c[nH]c([C@H]([NH2+][C@H]2CCc3ccccc3C2)c2cccnc2)n1 ZINC000279994216 215297400 /nfs/dbraw/zinc/29/74/00/215297400.db2.gz FMTQYZAMOLIHQO-ZWKOTPCHSA-N 1 0 304.397 3.041 10 0 DGAERO Cc1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1Br ZINC000130413208 432024174 /nfs/dbraw/zinc/02/41/74/432024174.db2.gz IZMPPMDFGQBMIF-LBPRGKRZSA-N 1 0 312.251 3.350 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000149486535 186050345 /nfs/dbraw/zinc/05/03/45/186050345.db2.gz DVQUKNZCCFUDQO-JPUFDJIESA-N 1 0 310.235 3.462 10 0 DGAERO CCN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106901551 432024565 /nfs/dbraw/zinc/02/45/65/432024565.db2.gz XSNUNDLCYFWFOF-LJQANCHMSA-N 1 0 310.441 3.208 10 0 DGAERO CC(C)Sc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152441943 186073155 /nfs/dbraw/zinc/07/31/55/186073155.db2.gz KAKKOLZLALXKFH-HIFRSBDPSA-N 1 0 306.475 3.459 10 0 DGAERO c1nnc([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1C1CC1 ZINC000152480995 186078096 /nfs/dbraw/zinc/07/80/96/186078096.db2.gz BASXWORLYMRBOK-KRWDZBQOSA-N 1 0 310.445 3.425 10 0 DGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000155692189 186103652 /nfs/dbraw/zinc/10/36/52/186103652.db2.gz LEWLGGBCZNMVLX-KBPBESRZSA-N 1 0 323.440 3.277 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000155692040 186103768 /nfs/dbraw/zinc/10/37/68/186103768.db2.gz LEWLGGBCZNMVLX-OKILXGFUSA-N 1 0 323.440 3.277 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000191827877 186260327 /nfs/dbraw/zinc/26/03/27/186260327.db2.gz RMHYMDXPAFWQJS-GDZNZVCISA-N 1 0 317.433 3.046 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000191831485 186260909 /nfs/dbraw/zinc/26/09/09/186260909.db2.gz DTFZFMCBIAGNBV-KDOFPFPSSA-N 1 0 322.880 3.319 10 0 DGAERO Cc1sc(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c(C)c1C ZINC000188029384 186246250 /nfs/dbraw/zinc/24/62/50/186246250.db2.gz IJDMPMSFFOFDAP-APPDUMDISA-N 1 0 324.490 3.095 10 0 DGAERO C=Cn1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000194305659 186279471 /nfs/dbraw/zinc/27/94/71/186279471.db2.gz WNDXFHZRFFHHPX-IHWFROFDSA-N 1 0 322.456 3.269 10 0 DGAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000237468889 186294130 /nfs/dbraw/zinc/29/41/30/186294130.db2.gz ZYKWCRUHAHVRPJ-IAQYHMDHSA-N 1 0 314.351 3.272 10 0 DGAERO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000279828328 186499059 /nfs/dbraw/zinc/49/90/59/186499059.db2.gz YQPRPBPRGQTIJU-GOEBONIOSA-N 1 0 319.449 3.125 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)CC2 ZINC000171981283 198020376 /nfs/dbraw/zinc/02/03/76/198020376.db2.gz XJVKDRRYHUKDPA-YPMHNXCESA-N 1 0 320.387 3.345 10 0 DGAERO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000172173877 198052459 /nfs/dbraw/zinc/05/24/59/198052459.db2.gz BEKFWFBHGLYRFH-NSHDSACASA-N 1 0 306.793 3.110 10 0 DGAERO CC(C)C[NH+]1CCN(CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000067132129 432027442 /nfs/dbraw/zinc/02/74/42/432027442.db2.gz ZSCWXHHNRHBVBJ-UHFFFAOYSA-N 1 0 317.477 3.022 10 0 DGAERO C/C(=C\C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000172621362 198126422 /nfs/dbraw/zinc/12/64/22/198126422.db2.gz XVBIUVRMECGRSA-VWCPWKCOSA-N 1 0 304.409 3.170 10 0 DGAERO Cn1ncc2c1CCC[C@@H]2NC1CC[NH+](CC2CCCC2)CC1 ZINC000120756963 282829311 /nfs/dbraw/zinc/82/93/11/282829311.db2.gz RWJQHMHTUSZGNQ-SFHVURJKSA-N 1 0 316.493 3.042 10 0 DGAERO Cc1nc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)nc2ccccc12 ZINC000072719604 191220225 /nfs/dbraw/zinc/22/02/25/191220225.db2.gz WWOJPDSJENZUIU-KRWDZBQOSA-N 1 0 324.472 3.246 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)c1ccccc1 ZINC000173266812 198203844 /nfs/dbraw/zinc/20/38/44/198203844.db2.gz UTRLYVQWTJWJKN-USXIJHARSA-N 1 0 301.434 3.016 10 0 DGAERO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000107368035 432031123 /nfs/dbraw/zinc/03/11/23/432031123.db2.gz HJGKZIPTAWJKSS-SWLSCSKDSA-N 1 0 316.367 3.029 10 0 DGAERO CCc1csc([C@H]2CCC[N@H+](CCC(=O)OC(C)C)C2)n1 ZINC000173603308 198232035 /nfs/dbraw/zinc/23/20/35/198232035.db2.gz SLLSPVLDCYZFIG-ZDUSSCGKSA-N 1 0 310.463 3.227 10 0 DGAERO Cc1ccoc1C(=O)NCCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182064850 199380695 /nfs/dbraw/zinc/38/06/95/199380695.db2.gz ICXGXPDOQSGULE-OAHLLOKOSA-N 1 0 314.429 3.176 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174141114 198296837 /nfs/dbraw/zinc/29/68/37/198296837.db2.gz YQMDEYZIPMNHJL-HLLBOEOZSA-N 1 0 303.450 3.180 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2F)[C@H](C)C1 ZINC000174362878 198325019 /nfs/dbraw/zinc/32/50/19/198325019.db2.gz GFDGVMYZQNNLRM-ABAIWWIYSA-N 1 0 311.376 3.159 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174379796 198327272 /nfs/dbraw/zinc/32/72/72/198327272.db2.gz BUCDDXZORDZSLZ-ROUUACIJSA-N 1 0 319.445 3.308 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(C)c(OCC(F)F)c1)[NH+](C)C ZINC000131139471 432033213 /nfs/dbraw/zinc/03/32/13/432033213.db2.gz QHVYOXIVLWOSCW-CYBMUJFWSA-N 1 0 314.376 3.308 10 0 DGAERO C[NH+](C)Cc1cccc(CNC(=O)NCCC2=CCCC2)c1 ZINC000163589442 432035266 /nfs/dbraw/zinc/03/52/66/432035266.db2.gz OSORFFCFPAZUJV-UHFFFAOYSA-N 1 0 301.434 3.048 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000175361518 198466454 /nfs/dbraw/zinc/46/64/54/198466454.db2.gz ASEWKNDWAVBNMC-HUUCEWRRSA-N 1 0 319.449 3.340 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)o1 ZINC000067707746 432036332 /nfs/dbraw/zinc/03/63/32/432036332.db2.gz QFPUANAZHXSRND-UKRRQHHQSA-N 1 0 307.438 3.069 10 0 DGAERO CC(C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000236773355 202003093 /nfs/dbraw/zinc/00/30/93/202003093.db2.gz IYQISHNLHHIYGF-WBVHZDCISA-N 1 0 318.461 3.245 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1OCCC(C)C ZINC000236779046 202005091 /nfs/dbraw/zinc/00/50/91/202005091.db2.gz RTEWWFHDOHSUJE-LSDHHAIUSA-N 1 0 304.434 3.486 10 0 DGAERO CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236785825 202007950 /nfs/dbraw/zinc/00/79/50/202007950.db2.gz HGWMYHZOCYVHNZ-MWOZMSIYSA-N 1 0 322.493 3.090 10 0 DGAERO CCN(CC)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067734847 432038123 /nfs/dbraw/zinc/03/81/23/432038123.db2.gz SDPIBJOYBDKPFI-QGZVFWFLSA-N 1 0 303.450 3.093 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cnn(C)c2)o1 ZINC000131830878 432039368 /nfs/dbraw/zinc/03/93/68/432039368.db2.gz KLJNNOXTHRFYTJ-OAHLLOKOSA-N 1 0 311.389 3.049 10 0 DGAERO CC[C@@H](CCO)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000131880494 432041739 /nfs/dbraw/zinc/04/17/39/432041739.db2.gz NKTPCAMPYBUTAS-OCCSQVGLSA-N 1 0 301.377 3.360 10 0 DGAERO Cc1ccc(C[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)cc1 ZINC000067842378 432042504 /nfs/dbraw/zinc/04/25/04/432042504.db2.gz RAERFSVUILMOEE-UHFFFAOYSA-N 1 0 321.424 3.115 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000073414479 191313244 /nfs/dbraw/zinc/31/32/44/191313244.db2.gz ACGPTCYZRAGSHH-HOTGVXAUSA-N 1 0 303.450 3.182 10 0 DGAERO O=C(NCCC[NH+]1CCCCCC1)c1cccc2ncccc21 ZINC000073397111 191312392 /nfs/dbraw/zinc/31/23/92/191312392.db2.gz HOVAECKIIWUSHD-UHFFFAOYSA-N 1 0 311.429 3.231 10 0 DGAERO Cn1c2ccccc2nc1N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000192765844 283060802 /nfs/dbraw/zinc/06/08/02/283060802.db2.gz OPSGGHRWQKQORK-SJLPKXTDSA-N 1 0 306.413 3.431 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)C2(Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000132044196 432044236 /nfs/dbraw/zinc/04/42/36/432044236.db2.gz HMHCOHGRLAXOIE-WMZOPIPTSA-N 1 0 314.473 3.341 10 0 DGAERO C[NH2+]C1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000179135823 432044580 /nfs/dbraw/zinc/04/45/80/432044580.db2.gz SUZUTLBSQLOTAE-UHFFFAOYSA-N 1 0 302.462 3.127 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000073562608 191327695 /nfs/dbraw/zinc/32/76/95/191327695.db2.gz MZPLXJWHXWQNLI-QZTJIDSGSA-N 1 0 300.446 3.027 10 0 DGAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CCN1C(=O)OCc1ccccc1 ZINC000073657202 191337737 /nfs/dbraw/zinc/33/77/37/191337737.db2.gz XXLKAMDVAZUVLR-WBVHZDCISA-N 1 0 302.418 3.272 10 0 DGAERO CCc1nc(-c2ccccc2)nc(N2CCC(C[NH3+])CC2)c1C ZINC000073684505 191341911 /nfs/dbraw/zinc/34/19/11/191341911.db2.gz MBALBYSIBDILLU-UHFFFAOYSA-N 1 0 310.445 3.190 10 0 DGAERO C[C@@H]1Cc2ccccc2N1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792362 191361293 /nfs/dbraw/zinc/36/12/93/191361293.db2.gz BPLGFTKJIRLKAV-HZTRTUMWSA-N 1 0 313.445 3.163 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000132308667 432047282 /nfs/dbraw/zinc/04/72/82/432047282.db2.gz LWUIAWVLXYHYRY-BBRMVZONSA-N 1 0 323.868 3.210 10 0 DGAERO c1ccc(CSCCC[N@@H+]2CCCN(C3CC3)CC2)cc1 ZINC000179205631 432050038 /nfs/dbraw/zinc/05/00/38/432050038.db2.gz VNYIBAUQCCEJRB-UHFFFAOYSA-N 1 0 304.503 3.480 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C)cc1F ZINC000078691184 191912331 /nfs/dbraw/zinc/91/23/31/191912331.db2.gz QGJQKBHADVTGPI-QWHCGFSZSA-N 1 0 310.413 3.036 10 0 DGAERO C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179264507 432052458 /nfs/dbraw/zinc/05/24/58/432052458.db2.gz KNBVBDJGCQTGQB-HYVNUMGLSA-N 1 0 301.434 3.016 10 0 DGAERO Cc1ccc(SCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000080717641 192185448 /nfs/dbraw/zinc/18/54/48/192185448.db2.gz FXEAIPMTHLSTHU-MQVJKMGUSA-N 1 0 318.486 3.219 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)ccc1OC(F)F ZINC000165243393 432054742 /nfs/dbraw/zinc/05/47/42/432054742.db2.gz PHYBQJHRMIZYFJ-UHTWSYAYSA-N 1 0 315.360 3.251 10 0 DGAERO C[N@H+](CCC(=O)Nc1ccccc1)Cc1ccc(Cl)nc1 ZINC000080911839 192201307 /nfs/dbraw/zinc/20/13/07/192201307.db2.gz BWOFGSCOWMVZGF-UHFFFAOYSA-N 1 0 303.793 3.196 10 0 DGAERO CCOc1c(F)cccc1C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000081335619 192252000 /nfs/dbraw/zinc/25/20/00/192252000.db2.gz MKTCFAKZTGNVIT-AWEZNQCLSA-N 1 0 322.424 3.028 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000081363744 192257368 /nfs/dbraw/zinc/25/73/68/192257368.db2.gz CQNKPBYVTZZGDN-OAHLLOKOSA-N 1 0 320.452 3.294 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3c(C)ccc(C)c31)CC2 ZINC000179424980 432057245 /nfs/dbraw/zinc/05/72/45/432057245.db2.gz XKDNTVJVMRFYDB-RDJZCZTQSA-N 1 0 324.472 3.439 10 0 DGAERO CCOC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000081519098 192278949 /nfs/dbraw/zinc/27/89/49/192278949.db2.gz DOHDABDBEUOFPX-CYBMUJFWSA-N 1 0 304.365 3.339 10 0 DGAERO CCCOc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1OCCC ZINC000236852824 202036696 /nfs/dbraw/zinc/03/66/96/202036696.db2.gz ASWLCCNYSBYOBS-LSDHHAIUSA-N 1 0 320.433 3.330 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CCCC1 ZINC000184641695 199745591 /nfs/dbraw/zinc/74/55/91/199745591.db2.gz HIYQKFLLSMMBCW-NSHDSACASA-N 1 0 317.401 3.351 10 0 DGAERO C[C@@H](NC(=O)C[C@@H]1CCOc2ccccc21)C(C)(C)C[NH+](C)C ZINC000081731841 192318221 /nfs/dbraw/zinc/31/82/21/192318221.db2.gz YSLWCQZKJJQDJZ-CABCVRRESA-N 1 0 318.461 3.035 10 0 DGAERO CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000236900120 202060312 /nfs/dbraw/zinc/06/03/12/202060312.db2.gz XEDYCPCLEMUEST-QMHWVQJVSA-N 1 0 310.507 3.040 10 0 DGAERO CCN(Cc1cccc(F)c1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000236941727 202084380 /nfs/dbraw/zinc/08/43/80/202084380.db2.gz SVWVCALRKKYDSC-SFHVURJKSA-N 1 0 300.377 3.048 10 0 DGAERO CCc1ccc(-c2csc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)n2)cc1 ZINC000236990071 202110137 /nfs/dbraw/zinc/11/01/37/202110137.db2.gz NSQDAWZIYOUGON-KGLIPLIRSA-N 1 0 315.442 3.438 10 0 DGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000236995444 202115103 /nfs/dbraw/zinc/11/51/03/202115103.db2.gz YSEWGFAIBVSDPM-ABAIWWIYSA-N 1 0 304.390 3.040 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1 ZINC000237010480 202119861 /nfs/dbraw/zinc/11/98/61/202119861.db2.gz LUXGWVRXEWNIOG-MLGOLLRUSA-N 1 0 300.406 3.005 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CCc1ccc(OC)cc1 ZINC000237039841 202132097 /nfs/dbraw/zinc/13/20/97/202132097.db2.gz NLXTVLJICVAXQK-UHFFFAOYSA-N 1 0 312.413 3.376 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)COc1ccc(C)cc1C ZINC000237048553 202134960 /nfs/dbraw/zinc/13/49/60/202134960.db2.gz KYNYXYKUKNSYOT-UHFFFAOYSA-N 1 0 312.413 3.430 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000237018776 202124528 /nfs/dbraw/zinc/12/45/28/202124528.db2.gz FNSADKLMLDNBCJ-CXAGYDPISA-N 1 0 316.401 3.308 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)CC1 ZINC000237077628 202145044 /nfs/dbraw/zinc/14/50/44/202145044.db2.gz PIXYFLCHEAYOCM-OAHLLOKOSA-N 1 0 318.461 3.096 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc2ccccc2o1 ZINC000166635049 432061534 /nfs/dbraw/zinc/06/15/34/432061534.db2.gz VWXIXPWEHVMSPH-HOCLYGCPSA-N 1 0 324.428 3.486 10 0 DGAERO CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237097088 202153172 /nfs/dbraw/zinc/15/31/72/202153172.db2.gz UTMWVUGXJKADPU-ZFWWWQNUSA-N 1 0 324.852 3.085 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c(C)c1 ZINC000166590109 432061916 /nfs/dbraw/zinc/06/19/16/432061916.db2.gz OCGOOIXDSVIVSV-IRXDYDNUSA-N 1 0 312.461 3.357 10 0 DGAERO COc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1Cc1ccccc1 ZINC000237168765 202174045 /nfs/dbraw/zinc/17/40/45/202174045.db2.gz WJSVKHNOSRZPCT-DOTOQJQBSA-N 1 0 324.424 3.352 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000179601354 432064717 /nfs/dbraw/zinc/06/47/17/432064717.db2.gz RCEMAFBXVUIQIY-GOEBONIOSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000179601345 432064059 /nfs/dbraw/zinc/06/40/59/432064059.db2.gz RCEMAFBXVUIQIY-GDBMZVCRSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1cncc(F)c1 ZINC000167497726 432065274 /nfs/dbraw/zinc/06/52/74/432065274.db2.gz NRYFCIBKMMJNSD-RISCZKNCSA-N 1 0 321.346 3.428 10 0 DGAERO CC(C)Cc1ncc(CN2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000179648576 432066699 /nfs/dbraw/zinc/06/66/99/432066699.db2.gz GWHDEKKCVWEYLS-HNNXBMFYSA-N 1 0 307.507 3.402 10 0 DGAERO Cc1cc(C)n2c(C[N@H+]3CCC[C@@H]3c3cccn3C)cnc2n1 ZINC000179707021 432068397 /nfs/dbraw/zinc/06/83/97/432068397.db2.gz VCBNWPFDONNVCT-QGZVFWFLSA-N 1 0 309.417 3.022 10 0 DGAERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccoc1 ZINC000179741935 432068951 /nfs/dbraw/zinc/06/89/51/432068951.db2.gz DXZQZWQRCFCDKW-CYBMUJFWSA-N 1 0 301.390 3.321 10 0 DGAERO CCn1cc([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)cn1 ZINC000168442150 432069036 /nfs/dbraw/zinc/06/90/36/432069036.db2.gz KMFXFKLQXRCEHD-CYBMUJFWSA-N 1 0 304.463 3.284 10 0 DGAERO Fc1ccc(SCCN2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000133668182 432069034 /nfs/dbraw/zinc/06/90/34/432069034.db2.gz GYSAWUISANYSPI-UHFFFAOYSA-N 1 0 308.466 3.382 10 0 DGAERO COCCC[C@H](C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000178435262 198867555 /nfs/dbraw/zinc/86/75/55/198867555.db2.gz ANJCCIVIAARYSX-JTQLQIEISA-N 1 0 304.203 3.493 10 0 DGAERO c1nc(C2CCCC2)sc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000179729160 432069239 /nfs/dbraw/zinc/06/92/39/432069239.db2.gz CGHNXSOHFDSUEO-UHFFFAOYSA-N 1 0 305.491 3.471 10 0 DGAERO C[N@@H+]1CCC[C@H](OCC(O)(c2ccccc2)c2ccccc2)C1 ZINC000169330165 432071645 /nfs/dbraw/zinc/07/16/45/432071645.db2.gz OFYVLTPMZGTWDA-IBGZPJMESA-N 1 0 311.425 3.033 10 0 DGAERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1ccc2c(c1)CCCC(=O)N2 ZINC000179815133 432072195 /nfs/dbraw/zinc/07/21/95/432072195.db2.gz MISKDAGIBAOFRL-XNJGSVPQSA-N 1 0 301.434 3.102 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccccc1N(C)C ZINC000179403855 199029261 /nfs/dbraw/zinc/02/92/61/199029261.db2.gz DYUYMNTTZZMONN-CYBMUJFWSA-N 1 0 302.393 3.235 10 0 DGAERO CCC[NH+]1CCC(N(C)Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179411931 199031217 /nfs/dbraw/zinc/03/12/17/199031217.db2.gz KTXWGSMEKQNYDF-UHFFFAOYSA-N 1 0 312.461 3.383 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccccc1N(C)C ZINC000179403843 199029506 /nfs/dbraw/zinc/02/95/06/199029506.db2.gz DYUYMNTTZZMONN-ZDUSSCGKSA-N 1 0 302.393 3.235 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1cccc(OC(F)F)c1 ZINC000179596150 199061058 /nfs/dbraw/zinc/06/10/58/199061058.db2.gz SPZRSNLACRQTAK-AAEUAGOBSA-N 1 0 317.376 3.115 10 0 DGAERO CCC[C@@H](C)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000179618497 199064880 /nfs/dbraw/zinc/06/48/80/199064880.db2.gz UWDSMWVGBLDQIP-CQSZACIVSA-N 1 0 304.434 3.479 10 0 DGAERO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000134150277 432073808 /nfs/dbraw/zinc/07/38/08/432073808.db2.gz GGVIXKBIKUAZHO-INIZCTEOSA-N 1 0 324.509 3.020 10 0 DGAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000037969750 283313722 /nfs/dbraw/zinc/31/37/22/283313722.db2.gz BSCLEKBAQWYTJB-ZDUSSCGKSA-N 1 0 300.324 3.154 10 0 DGAERO COCOc1ccc(OC)cc1C[NH2+]CCc1ccsc1 ZINC000179843578 199087350 /nfs/dbraw/zinc/08/73/50/199087350.db2.gz ANRCNDPDVJQKIA-UHFFFAOYSA-N 1 0 307.415 3.072 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000179941519 199097373 /nfs/dbraw/zinc/09/73/73/199097373.db2.gz PTHPRGVQXFHIIM-QGZVFWFLSA-N 1 0 324.472 3.385 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C)c2F)[C@H](C)C1 ZINC000179996216 199104226 /nfs/dbraw/zinc/10/42/26/199104226.db2.gz NSHVUKQUVYHVFK-HIFRSBDPSA-N 1 0 307.413 3.328 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000180124053 199120607 /nfs/dbraw/zinc/12/06/07/199120607.db2.gz KFEPIDRVVLKPRK-SFHVURJKSA-N 1 0 321.428 3.246 10 0 DGAERO Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180199482 199129942 /nfs/dbraw/zinc/12/99/42/199129942.db2.gz HLXMKRDIBPZTGE-HUUCEWRRSA-N 1 0 300.427 3.232 10 0 DGAERO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1C ZINC000180155751 199123815 /nfs/dbraw/zinc/12/38/15/199123815.db2.gz IRJHOBFDQMDHPA-RBUKOAKNSA-N 1 0 308.425 3.479 10 0 DGAERO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cnn2ccccc12)c1ccccc1 ZINC000180241393 199135036 /nfs/dbraw/zinc/13/50/36/199135036.db2.gz JABIISAVDVVWJP-ICSRJNTNSA-N 1 0 321.424 3.422 10 0 DGAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185266935 199832329 /nfs/dbraw/zinc/83/23/29/199832329.db2.gz YFGYIPRHFXQTBP-DOTOQJQBSA-N 1 0 321.440 3.116 10 0 DGAERO COc1cccc(F)c1[C@@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237282591 202216798 /nfs/dbraw/zinc/21/67/98/202216798.db2.gz OHNQBZVFXWLHQU-QWHCGFSZSA-N 1 0 322.424 3.037 10 0 DGAERO CSc1ccc(CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000237319862 202229274 /nfs/dbraw/zinc/22/92/74/202229274.db2.gz LLUVLWNHYVOZPB-HIFRSBDPSA-N 1 0 306.475 3.051 10 0 DGAERO COc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1Cc1ccccc1 ZINC000237336535 202237111 /nfs/dbraw/zinc/23/71/11/202237111.db2.gz WJSVKHNOSRZPCT-WBVHZDCISA-N 1 0 324.424 3.352 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)CC2 ZINC000180499620 199167441 /nfs/dbraw/zinc/16/74/41/199167441.db2.gz BIIQRNCXDQPPDB-ZWKOTPCHSA-N 1 0 324.472 3.327 10 0 DGAERO C[C@H](CC[NH2+][C@H](C)c1cncc(F)c1)NC(=O)OC(C)(C)C ZINC000180514601 199169868 /nfs/dbraw/zinc/16/98/68/199169868.db2.gz AWIFWPKNZLJDQS-VXGBXAGGSA-N 1 0 311.401 3.175 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2cn(C)nc2C(C)(C)C)s1 ZINC000180558570 199176197 /nfs/dbraw/zinc/17/61/97/199176197.db2.gz VQSBRFMLIYDFJD-UHFFFAOYSA-N 1 0 306.479 3.157 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c2ccccc12 ZINC000180590121 199180440 /nfs/dbraw/zinc/18/04/40/199180440.db2.gz JNNRZURSHVUAPA-ZIAGYGMSSA-N 1 0 322.412 3.106 10 0 DGAERO C[C@H](C(=O)N(C)Cc1ccc(F)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237396854 202254943 /nfs/dbraw/zinc/25/49/43/202254943.db2.gz VEYXWHVHUJDFFI-SUMWQHHRSA-N 1 0 300.377 3.120 10 0 DGAERO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000170645383 432075776 /nfs/dbraw/zinc/07/57/76/432075776.db2.gz NQQRQINCYOLRGL-HNNXBMFYSA-N 1 0 315.442 3.481 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)on1 ZINC000180720125 199201012 /nfs/dbraw/zinc/20/10/12/199201012.db2.gz GJQOYCXHLJLZDX-VIFPVBQESA-N 1 0 311.744 3.065 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000180041621 432077089 /nfs/dbraw/zinc/07/70/89/432077089.db2.gz QWLBHYMSITXNRO-GXTWGEPZSA-N 1 0 320.868 3.362 10 0 DGAERO CCC[NH+]1CCC(N(C)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000170715849 432078123 /nfs/dbraw/zinc/07/81/23/432078123.db2.gz LFPXJOFSVDZQDQ-UHFFFAOYSA-N 1 0 310.467 3.098 10 0 DGAERO COc1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)ccc1O ZINC000180114194 432078184 /nfs/dbraw/zinc/07/81/84/432078184.db2.gz QZTHIGBKCGEOBU-PKOBYXMFSA-N 1 0 313.397 3.411 10 0 DGAERO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C[C@H]1CCCO1 ZINC000170688291 432077505 /nfs/dbraw/zinc/07/75/05/432077505.db2.gz QGHRZRIBNKXOLY-CYBMUJFWSA-N 1 0 317.385 3.220 10 0 DGAERO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1F ZINC000180122804 432079102 /nfs/dbraw/zinc/07/91/02/432079102.db2.gz CSVUAYDHDCIVOR-INIZCTEOSA-N 1 0 311.364 3.042 10 0 DGAERO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1F ZINC000180122822 432079145 /nfs/dbraw/zinc/07/91/45/432079145.db2.gz CSVUAYDHDCIVOR-MRXNPFEDSA-N 1 0 311.364 3.042 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2cccc(C)c2)C12CCOCC2 ZINC000186302385 199940822 /nfs/dbraw/zinc/94/08/22/199940822.db2.gz GCQNZKQXGWCWEW-MSOLQXFVSA-N 1 0 303.446 3.101 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc(N2CCCC2=O)c1 ZINC000180252957 432081967 /nfs/dbraw/zinc/08/19/67/432081967.db2.gz VOQLRHURDXSNRH-QAPCUYQASA-N 1 0 316.445 3.423 10 0 DGAERO O=C(Cc1cccc(Cl)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812214 432082710 /nfs/dbraw/zinc/08/27/10/432082710.db2.gz SBYQVTSZGJLGJO-UHFFFAOYSA-N 1 0 320.864 3.217 10 0 DGAERO c1c(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032276 237019648 /nfs/dbraw/zinc/01/96/48/237019648.db2.gz AAQABOPCYMNSHJ-QFBILLFUSA-N 1 0 310.445 3.041 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000186685011 199990301 /nfs/dbraw/zinc/99/03/01/199990301.db2.gz GFUJSIUMBNUNBX-BBRMVZONSA-N 1 0 320.864 3.266 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000186775659 200008140 /nfs/dbraw/zinc/00/81/40/200008140.db2.gz IXWWEEJMYZQACJ-HNAYVOBHSA-N 1 0 308.425 3.005 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000186751490 200003877 /nfs/dbraw/zinc/00/38/77/200003877.db2.gz GCHMSWBIKKAUSM-BXKDBHETSA-N 1 0 318.364 3.026 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000186756063 200005154 /nfs/dbraw/zinc/00/51/54/200005154.db2.gz QCTSQGPWLHBWMO-YOEHRIQHSA-N 1 0 318.436 3.142 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000170836417 432084126 /nfs/dbraw/zinc/08/41/26/432084126.db2.gz CGXZHLGYBSSSJD-AWEZNQCLSA-N 1 0 305.809 3.486 10 0 DGAERO c1ncn([C@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)n1 ZINC000187188615 200074414 /nfs/dbraw/zinc/07/44/14/200074414.db2.gz VPKXPNZMZVSIOX-KRWDZBQOSA-N 1 0 314.433 3.164 10 0 DGAERO CC[C@@H]1CN(C[C@@H](C)c2cccc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000187210216 200078165 /nfs/dbraw/zinc/07/81/65/200078165.db2.gz JXLXLUKIIZSLJL-IIDMSEBBSA-N 1 0 324.896 3.221 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000170858923 432084728 /nfs/dbraw/zinc/08/47/28/432084728.db2.gz HHCDTSKHNCACGK-LBPRGKRZSA-N 1 0 318.804 3.376 10 0 DGAERO Cc1ccc(C)c(OCCCCC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170855368 432084541 /nfs/dbraw/zinc/08/45/41/432084541.db2.gz JXVOLJFZMADYGF-KRWDZBQOSA-N 1 0 318.461 3.015 10 0 DGAERO Cc1ccc(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c(Cl)c1 ZINC000187923102 200177730 /nfs/dbraw/zinc/17/77/30/200177730.db2.gz CMDAOOBBPRNUBK-GUYCJALGSA-N 1 0 324.852 3.070 10 0 DGAERO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000188232295 200212892 /nfs/dbraw/zinc/21/28/92/200212892.db2.gz JRPWFYARFDCWFL-GUYCJALGSA-N 1 0 302.443 3.123 10 0 DGAERO Cc1cc(Cl)ccc1OCCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237612687 202304617 /nfs/dbraw/zinc/30/46/17/202304617.db2.gz QQLNSZUDJMELIS-UKRRQHHQSA-N 1 0 324.852 3.051 10 0 DGAERO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000281133587 216100716 /nfs/dbraw/zinc/10/07/16/216100716.db2.gz DERKUSCKVVSSCV-IDFMNXDXSA-N 1 0 321.408 3.335 10 0 DGAERO COc1cc(C[N@@H+]2CCS[C@@H](C)C2)ccc1OC(F)F ZINC000170901393 432086494 /nfs/dbraw/zinc/08/64/94/432086494.db2.gz YHHBDORICCWNCP-JTQLQIEISA-N 1 0 303.374 3.234 10 0 DGAERO C[C@]1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCc2ccccc21 ZINC000188685421 200287621 /nfs/dbraw/zinc/28/76/21/200287621.db2.gz RFGMKAVQNMHMEO-NRFANRHFSA-N 1 0 320.436 3.200 10 0 DGAERO CCc1cc(C)c(C(=O)NCc2cccc(C[NH+](C)C)c2)o1 ZINC000134861608 432087872 /nfs/dbraw/zinc/08/78/72/432087872.db2.gz RPUURKNUODBCPV-UHFFFAOYSA-N 1 0 300.402 3.142 10 0 DGAERO Cc1cc(C[N@@H+](C)CC2(CO)CC2)ccc1Oc1cccnc1 ZINC000188960192 200328511 /nfs/dbraw/zinc/32/85/11/200328511.db2.gz TYSREJOAVLROCI-UHFFFAOYSA-N 1 0 312.413 3.387 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)CCCCCc2ccc(F)cc2)C1 ZINC000189111401 200350149 /nfs/dbraw/zinc/35/01/49/200350149.db2.gz PBLLQZLNUAJMKG-KRWDZBQOSA-N 1 0 306.425 3.091 10 0 DGAERO CO[C@@H]1C[N@H+](CCCC(=O)Nc2c(C)cccc2C)CC[C@H]1C ZINC000189338738 200383886 /nfs/dbraw/zinc/38/38/86/200383886.db2.gz RZKDKKZUTMRRBS-RHSMWYFYSA-N 1 0 318.461 3.379 10 0 DGAERO CC[NH+](CC)Cc1ccc(NCc2c(C)nn(C)c2OC)cc1 ZINC000190379697 200526367 /nfs/dbraw/zinc/52/63/67/200526367.db2.gz TWQWVBCNRCDPKS-UHFFFAOYSA-N 1 0 316.449 3.191 10 0 DGAERO Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000180600609 432090617 /nfs/dbraw/zinc/09/06/17/432090617.db2.gz XFZWJIJIJRSITE-ZANVPECISA-N 1 0 323.227 3.177 10 0 DGAERO CC(C)COc1ccc(C(C)(C)[NH2+]CCC(=O)NC(C)C)cc1 ZINC000170972284 432090455 /nfs/dbraw/zinc/09/04/55/432090455.db2.gz COXMMOUMDCZVIM-UHFFFAOYSA-N 1 0 320.477 3.461 10 0 DGAERO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000049157138 283579716 /nfs/dbraw/zinc/57/97/16/283579716.db2.gz OBFOEDZDEZSAQH-WFASDCNBSA-N 1 0 300.427 3.377 10 0 DGAERO OCC[C@@H]1CSCCN1CCc1cccc(Cl)c1Cl ZINC000434485360 238204914 /nfs/dbraw/zinc/20/49/14/238204914.db2.gz UMOQGCLQPRGOLL-GFCCVEGCSA-N 1 0 320.285 3.336 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180634334 432093212 /nfs/dbraw/zinc/09/32/12/432093212.db2.gz QYQSKXAWXXZTKJ-UONOGXRCSA-N 1 0 314.433 3.076 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)CC2 ZINC000180623369 432094196 /nfs/dbraw/zinc/09/41/96/432094196.db2.gz FFTZTFFWCQZKOX-JQWIXIFHSA-N 1 0 322.815 3.299 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3ccccc3n1)CC2 ZINC000180617743 432094147 /nfs/dbraw/zinc/09/41/47/432094147.db2.gz RUKGORWGMVCVTO-ZFWWWQNUSA-N 1 0 321.428 3.054 10 0 DGAERO NC(=O)c1cccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000435781415 238352234 /nfs/dbraw/zinc/35/22/34/238352234.db2.gz IOPDWGUKVOMRBZ-JCNLHEQBSA-N 1 0 314.816 3.475 10 0 DGAERO COc1ccccc1/C=C/CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246093611 432094375 /nfs/dbraw/zinc/09/43/75/432094375.db2.gz IUSSPDMAYWFDIA-JFDVKVQISA-N 1 0 300.446 3.125 10 0 DGAERO Cc1ccc(CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)s1 ZINC000057044412 283635976 /nfs/dbraw/zinc/63/59/76/283635976.db2.gz XGPBYBZGJNUUIH-INIZCTEOSA-N 1 0 308.491 3.226 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)c1 ZINC000193164610 201001121 /nfs/dbraw/zinc/00/11/21/201001121.db2.gz FJVNGJZNOMGKLE-OAHLLOKOSA-N 1 0 320.234 3.231 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000193177553 201003623 /nfs/dbraw/zinc/00/36/23/201003623.db2.gz ZJRJONGCHHVHPW-HTQZYQBOSA-N 1 0 307.196 3.437 10 0 DGAERO CCOc1ccc(-c2csc(NC(=O)CC[C@@H](C)[NH3+])n2)cc1 ZINC000193191135 201004574 /nfs/dbraw/zinc/00/45/74/201004574.db2.gz JFSAHWRRJWHQOE-LLVKDONJSA-N 1 0 319.430 3.275 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000437685067 238670194 /nfs/dbraw/zinc/67/01/94/238670194.db2.gz IERPKYAALLILOI-GOSISDBHSA-N 1 0 314.473 3.188 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C)cc2C)o1 ZINC000193601504 201083644 /nfs/dbraw/zinc/08/36/44/201083644.db2.gz OFDPMSZHHUZVGF-HOTGVXAUSA-N 1 0 303.402 3.295 10 0 DGAERO Cn1c(CSCC[N@H+](C)Cc2ccccc2)nnc1C1CC1 ZINC000193636891 201092512 /nfs/dbraw/zinc/09/25/12/201092512.db2.gz DZJHKWLTYURWRQ-UHFFFAOYSA-N 1 0 316.474 3.058 10 0 DGAERO COC(=O)c1coc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000171033014 432097116 /nfs/dbraw/zinc/09/71/16/432097116.db2.gz GJKIQXIUCXRDAX-MRXNPFEDSA-N 1 0 317.360 3.412 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000194334231 201204639 /nfs/dbraw/zinc/20/46/39/201204639.db2.gz JYOKTNJSXQFDFI-SFHVURJKSA-N 1 0 300.446 3.374 10 0 DGAERO CCc1cc(C)c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC000135075287 432097665 /nfs/dbraw/zinc/09/76/65/432097665.db2.gz VEWYTPKGWBEBOF-INIZCTEOSA-N 1 0 318.392 3.322 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(-c2ccco2)s1 ZINC000194399970 201218337 /nfs/dbraw/zinc/21/83/37/201218337.db2.gz WRVJVCDGVTZTCU-CHWSQXEVSA-N 1 0 303.431 3.072 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441290571 239031974 /nfs/dbraw/zinc/03/19/74/239031974.db2.gz YPUUAULRTCZYAA-UXHICEINSA-N 1 0 317.473 3.384 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194913538 201310086 /nfs/dbraw/zinc/31/00/86/201310086.db2.gz AQXYTRSWSJBVJL-HOCLYGCPSA-N 1 0 312.413 3.330 10 0 DGAERO COc1ccc(Oc2ccc(C[N@H+](C)CCCO)cc2)cc1 ZINC000442958186 239156576 /nfs/dbraw/zinc/15/65/76/239156576.db2.gz BACOXTRYCOPMBI-UHFFFAOYSA-N 1 0 301.386 3.302 10 0 DGAERO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443625299 239219013 /nfs/dbraw/zinc/21/90/13/239219013.db2.gz JUGSTOHMUJBWBY-BZPMIXESSA-N 1 0 301.352 3.339 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1Cl ZINC000195441778 201390193 /nfs/dbraw/zinc/39/01/93/201390193.db2.gz KREOFWQMMGKNNZ-OAHLLOKOSA-N 1 0 316.836 3.197 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)c2cccc(O)c2)cc2c1OCCO2 ZINC000195454315 201393195 /nfs/dbraw/zinc/39/31/95/201393195.db2.gz RLTNRJZDNOJEGQ-LBPRGKRZSA-N 1 0 315.369 3.023 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000171072581 432100582 /nfs/dbraw/zinc/10/05/82/432100582.db2.gz KTBNAKFFPHJFLN-SNVBAGLBSA-N 1 0 315.389 3.169 10 0 DGAERO Cc1ccc(NC(=O)[C@@H](C)N(C)C[C@H]2CCCO2)c(Cl)c1 ZINC000246143373 432100996 /nfs/dbraw/zinc/10/09/96/432100996.db2.gz RQIJFZBDZASHQZ-CHWSQXEVSA-N 1 0 310.825 3.086 10 0 DGAERO CC(C)OCc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000246504544 202597855 /nfs/dbraw/zinc/59/78/55/202597855.db2.gz FFANCUZTUYYUPP-JQHSSLGASA-N 1 0 316.445 3.471 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000246167316 432101688 /nfs/dbraw/zinc/10/16/88/432101688.db2.gz KLKOIOCCRGJOMW-GDBMZVCRSA-N 1 0 321.440 3.321 10 0 DGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@H]1C ZINC000246978952 202633766 /nfs/dbraw/zinc/63/37/66/202633766.db2.gz JXVWTKRRIQONEQ-GIPNMCIBSA-N 1 0 311.223 3.164 10 0 DGAERO CC1(C)CCCN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000171100523 432101946 /nfs/dbraw/zinc/10/19/46/432101946.db2.gz FZKUYMQTHRTXQG-QGZVFWFLSA-N 1 0 315.461 3.408 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1ccccc1F)CC2 ZINC000180856049 432102596 /nfs/dbraw/zinc/10/25/96/432102596.db2.gz FAUSWQNQPRGQDR-WFASDCNBSA-N 1 0 302.397 3.035 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CSc2ccc(F)cc2)C1 ZINC000246185344 432103710 /nfs/dbraw/zinc/10/37/10/432103710.db2.gz NNZPDCIMGMJFJD-HIFRSBDPSA-N 1 0 324.465 3.154 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000189920652 432104032 /nfs/dbraw/zinc/10/40/32/432104032.db2.gz APKGVRVDIVYUMB-OAHLLOKOSA-N 1 0 324.494 3.030 10 0 DGAERO COC[C@@H]([NH2+]Cc1cc(F)cc(OC)c1)c1ccc(F)cc1 ZINC000449177291 240052331 /nfs/dbraw/zinc/05/23/31/240052331.db2.gz RUKOGGDSKQUZJL-QGZVFWFLSA-N 1 0 307.340 3.451 10 0 DGAERO COCC1CCC([NH2+]CC[C@@H]2COc3ccccc3O2)CC1 ZINC000449189209 240058882 /nfs/dbraw/zinc/05/88/82/240058882.db2.gz LYPJZYVXUYNLRW-UYSNPLJNSA-N 1 0 305.418 3.011 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@H](CC)C2CCCC2)n1 ZINC000449273711 240102229 /nfs/dbraw/zinc/10/22/29/240102229.db2.gz ZJWUCCFGYPOFIY-CYBMUJFWSA-N 1 0 310.463 3.421 10 0 DGAERO CCCn1cc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cn1 ZINC000180886439 432104655 /nfs/dbraw/zinc/10/46/55/432104655.db2.gz VUEQUJMAOYLUGC-UHFFFAOYSA-N 1 0 302.422 3.155 10 0 DGAERO Cc1nc(C[NH2+]C2Cc3ccccc3C2)sc1Br ZINC000449399881 240173593 /nfs/dbraw/zinc/17/35/93/240173593.db2.gz FCVPZZNQFBSSKK-UHFFFAOYSA-N 1 0 323.259 3.471 10 0 DGAERO c1ccc(COc2ccccc2C[NH2+]CC2=CCOCC2)nc1 ZINC000449400794 240178190 /nfs/dbraw/zinc/17/81/90/240178190.db2.gz DFAKCLVGQKWYSX-UHFFFAOYSA-N 1 0 310.397 3.097 10 0 DGAERO C[C@H](CCCO)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449410158 240183150 /nfs/dbraw/zinc/18/31/50/240183150.db2.gz YBHIYKOHYCLXBC-CQSZACIVSA-N 1 0 307.434 3.140 10 0 DGAERO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2cccs2)c(OC)c1 ZINC000449468838 240224071 /nfs/dbraw/zinc/22/40/71/240224071.db2.gz QUHHEPYLVNPRNX-GFCCVEGCSA-N 1 0 321.442 3.495 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2nc3ccccc3s2)C1 ZINC000246187175 432105098 /nfs/dbraw/zinc/10/50/98/432105098.db2.gz HPXMSKLKIYMYPG-WCQYABFASA-N 1 0 318.446 3.147 10 0 DGAERO CO[C@](C)(C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000449482309 240235465 /nfs/dbraw/zinc/23/54/65/240235465.db2.gz BKGVXHQCMTTWKQ-GOSISDBHSA-N 1 0 311.385 3.321 10 0 DGAERO c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449688023 240370839 /nfs/dbraw/zinc/37/08/39/240370839.db2.gz SGROTKIEWITJFA-QGZVFWFLSA-N 1 0 315.442 3.208 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449719802 240381766 /nfs/dbraw/zinc/38/17/66/240381766.db2.gz HYQOEJZKFOBJFL-VYDXJSESSA-N 1 0 318.461 3.211 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449737812 240393639 /nfs/dbraw/zinc/39/36/39/240393639.db2.gz UZJJRZBTIQQAPL-KOJAKUIZSA-N 1 0 311.372 3.442 10 0 DGAERO Cc1nc(CC(C)C)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000246190111 432105931 /nfs/dbraw/zinc/10/59/31/432105931.db2.gz OUIOGYMEGDXHHR-JSGCOSHPSA-N 1 0 323.506 3.205 10 0 DGAERO COc1cc([C@@H](C)[NH2+]Cc2cncnc2)ccc1OCC(C)C ZINC000171131802 432106097 /nfs/dbraw/zinc/10/60/97/432106097.db2.gz ITBPHWFGUIXILQ-CQSZACIVSA-N 1 0 315.417 3.371 10 0 DGAERO Brc1ccc(C2([NH2+]Cc3cncnc3)CCC2)cc1 ZINC000171134809 432106300 /nfs/dbraw/zinc/10/63/00/432106300.db2.gz UVUJMLYOGLZTLH-UHFFFAOYSA-N 1 0 318.218 3.408 10 0 DGAERO CN1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CCC1=O ZINC000091344106 193043734 /nfs/dbraw/zinc/04/37/34/193043734.db2.gz JLJJCWLIYFGXFK-SJLPKXTDSA-N 1 0 304.409 3.267 10 0 DGAERO C[NH+](C)C1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000091670933 193089563 /nfs/dbraw/zinc/08/95/63/193089563.db2.gz CFMJUOFHQXZBTL-UHFFFAOYSA-N 1 0 318.852 3.256 10 0 DGAERO C[C@@H](C[NH3+])c1coc2cc(I)ccc21 ZINC000091690982 193090959 /nfs/dbraw/zinc/09/09/59/193090959.db2.gz WZSWVSMUNPDUQX-ZETCQYMHSA-N 1 0 301.127 3.100 10 0 DGAERO C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1cccnc1 ZINC000091788412 193108249 /nfs/dbraw/zinc/10/82/49/193108249.db2.gz ABJPSDIQGUKJJS-INIZCTEOSA-N 1 0 323.440 3.462 10 0 DGAERO C[N@H+](CCC1CC1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000135275352 432108237 /nfs/dbraw/zinc/10/82/37/432108237.db2.gz WDLYDKFWOKYSJC-GFCCVEGCSA-N 1 0 318.244 3.465 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000079982282 283891631 /nfs/dbraw/zinc/89/16/31/283891631.db2.gz YODBUNPPRCFJBJ-CQSZACIVSA-N 1 0 321.440 3.230 10 0 DGAERO CCCC[N@H+](C[C@@H](O)CC(F)(F)F)[C@@H]1CCCC[C@H]1OC ZINC000451650978 241199156 /nfs/dbraw/zinc/19/91/56/241199156.db2.gz LPTAMXDCFGDNCF-BFHYXJOUSA-N 1 0 311.388 3.359 10 0 DGAERO COCC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000451697467 241211795 /nfs/dbraw/zinc/21/17/95/241211795.db2.gz WGTDLHSVTIOBCF-HUUCEWRRSA-N 1 0 319.367 3.390 10 0 DGAERO C[C@]1(CN(CCC(F)(F)F)Cc2ccccc2)CC[NH2+]C1 ZINC000261980342 291378109 /nfs/dbraw/zinc/37/81/09/291378109.db2.gz JCVSBNANKUXSPA-HNNXBMFYSA-N 1 0 300.368 3.441 10 0 DGAERO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@@H](O)c1ccccc1Cl ZINC000246234165 432110684 /nfs/dbraw/zinc/11/06/84/432110684.db2.gz GRIIELRRKRDHFR-NVXWUHKLSA-N 1 0 319.836 3.116 10 0 DGAERO CCc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)oc1CC ZINC000246249149 432111633 /nfs/dbraw/zinc/11/16/33/432111633.db2.gz HOTUTCVIBQKEKA-HUUCEWRRSA-N 1 0 304.434 3.103 10 0 DGAERO CC/C=C\CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000455296510 242161401 /nfs/dbraw/zinc/16/14/01/242161401.db2.gz IQUPUBWTNJDQRN-YMEQAZQUSA-N 1 0 321.490 3.396 10 0 DGAERO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC ZINC000190016379 432113482 /nfs/dbraw/zinc/11/34/82/432113482.db2.gz LKWTTYXHVGTQCM-GOEBONIOSA-N 1 0 322.474 3.288 10 0 DGAERO Cc1nnc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)o1 ZINC000246269676 432113167 /nfs/dbraw/zinc/11/31/67/432113167.db2.gz RQEIWDUYNYSKTJ-DLBZAZTESA-N 1 0 315.417 3.246 10 0 DGAERO C[C@@H](c1ccc(C(=O)NCCCC[NH+](C)C)cc1)C(F)(F)F ZINC000455662692 242260748 /nfs/dbraw/zinc/26/07/48/242260748.db2.gz KLHUINWVZWNEGO-LBPRGKRZSA-N 1 0 316.367 3.424 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000455608108 242244970 /nfs/dbraw/zinc/24/49/70/242244970.db2.gz JLVSYYZENYOGSG-INIZCTEOSA-N 1 0 317.477 3.272 10 0 DGAERO C[C@@H](C[NH2+]C(C)(C)CC1CCCCCC1)CS(C)(=O)=O ZINC000190025233 432114180 /nfs/dbraw/zinc/11/41/80/432114180.db2.gz VBNXMRFIWQACES-AWEZNQCLSA-N 1 0 303.512 3.396 10 0 DGAERO CCS[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000190023501 432114314 /nfs/dbraw/zinc/11/43/14/432114314.db2.gz ULFUPHWFQPASRN-SQNIBIBYSA-N 1 0 323.502 3.218 10 0 DGAERO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C(C)(C)C)s2)C1 ZINC000092101239 193157975 /nfs/dbraw/zinc/15/79/75/193157975.db2.gz QOIUKLWQHYIDOS-CQSZACIVSA-N 1 0 308.491 3.346 10 0 DGAERO CCS[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000190023535 432114941 /nfs/dbraw/zinc/11/49/41/432114941.db2.gz ULFUPHWFQPASRN-KURKYZTESA-N 1 0 323.502 3.218 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn2cc(Cl)ccc2n1 ZINC000246278342 432115191 /nfs/dbraw/zinc/11/51/91/432115191.db2.gz NHTPWPADASSUHF-HOTGVXAUSA-N 1 0 318.852 3.046 10 0 DGAERO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000190032191 432115767 /nfs/dbraw/zinc/11/57/67/432115767.db2.gz ULFUPHWFQPASRN-RCCFBDPRSA-N 1 0 323.502 3.218 10 0 DGAERO O=C(N[C@@H]1CCCC(F)(F)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000488971297 284022475 /nfs/dbraw/zinc/02/24/75/284022475.db2.gz DWSKTJDTKRAZPR-ZIAGYGMSSA-N 1 0 314.420 3.335 10 0 DGAERO O=C(N[C@@H]1CCCC(F)(F)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439996816 284022636 /nfs/dbraw/zinc/02/26/36/284022636.db2.gz UFSXWBJBLORQQD-TZMCWYRMSA-N 1 0 300.393 3.088 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2F)cc1 ZINC000102686723 284023632 /nfs/dbraw/zinc/02/36/32/284023632.db2.gz VBWLGITZFUTTGG-AWEZNQCLSA-N 1 0 314.404 3.355 10 0 DGAERO Cc1cc(NC(=O)c2ccccc2OCC[NH+](C)C)ccc1F ZINC000103099678 284026612 /nfs/dbraw/zinc/02/66/12/284026612.db2.gz PGRBEPXUWJVPJS-UHFFFAOYSA-N 1 0 316.376 3.327 10 0 DGAERO Cc1cccn2c(C[NH+]3CCC(OCC(C)C)CC3)cnc12 ZINC000092223244 193176728 /nfs/dbraw/zinc/17/67/28/193176728.db2.gz UJEDPJTXOBHQNS-UHFFFAOYSA-N 1 0 301.434 3.280 10 0 DGAERO CC[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000105088006 284038101 /nfs/dbraw/zinc/03/81/01/284038101.db2.gz CBPJLVQLSSDAAK-SJLPKXTDSA-N 1 0 315.461 3.060 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000458424339 243056908 /nfs/dbraw/zinc/05/69/08/243056908.db2.gz RXHZBGRLJYAXPL-IAGOWNOFSA-N 1 0 317.477 3.130 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105233926 284038806 /nfs/dbraw/zinc/03/88/06/284038806.db2.gz DZSHSUNGXFLPQY-HNNXBMFYSA-N 1 0 321.465 3.464 10 0 DGAERO C[C@@H]([NH2+]CCc1ccco1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105783404 284041072 /nfs/dbraw/zinc/04/10/72/284041072.db2.gz QTMLVUQUHFTKNX-HUUCEWRRSA-N 1 0 322.449 3.447 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CCCCCC2)C[C@@H]1C ZINC000459008391 243226822 /nfs/dbraw/zinc/22/68/22/243226822.db2.gz IDLWCEDAFHFBAX-RDJZCZTQSA-N 1 0 309.498 3.471 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(F)c(C)c2)CC1 ZINC000108515046 284061831 /nfs/dbraw/zinc/06/18/31/284061831.db2.gz RUPWALHQXRHYMG-UHFFFAOYSA-N 1 0 307.413 3.378 10 0 DGAERO COc1ccc([C@@H](CO)[N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000459349946 243344182 /nfs/dbraw/zinc/34/41/82/243344182.db2.gz OBDRMYLUTOJBHV-YSIASYRMSA-N 1 0 311.425 3.464 10 0 DGAERO c1ccc([C@H]2CC[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)O2)cc1 ZINC000459575202 243418178 /nfs/dbraw/zinc/41/81/78/243418178.db2.gz ZVUSWNDTMYRWFH-QZTJIDSGSA-N 1 0 309.413 3.364 10 0 DGAERO CC[C@@H](C)CN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000111807048 284082373 /nfs/dbraw/zinc/08/23/73/284082373.db2.gz WUTRDIGGCIHVOL-MRXNPFEDSA-N 1 0 317.477 3.470 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000112043472 284084432 /nfs/dbraw/zinc/08/44/32/284084432.db2.gz POTKAWVEFMFQII-PXNSSMCTSA-N 1 0 324.468 3.154 10 0 DGAERO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000112675721 284094328 /nfs/dbraw/zinc/09/43/28/284094328.db2.gz ZYTDTMIEPWMASG-IAGOWNOFSA-N 1 0 309.475 3.395 10 0 DGAERO Cc1cccc(C2([NH2+]CC(=O)Nc3ccncc3)CCCC2)c1 ZINC000113932160 284105390 /nfs/dbraw/zinc/10/53/90/284105390.db2.gz NMQVJBAWWWPHBT-UHFFFAOYSA-N 1 0 309.413 3.388 10 0 DGAERO CCCN(CCc1cccs1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000468602742 244055667 /nfs/dbraw/zinc/05/56/67/244055667.db2.gz ZCGWCOPIOJBVOL-INIZCTEOSA-N 1 0 308.491 3.404 10 0 DGAERO c1cc(OCC[NH+]2CCCCC2)ccc1OCC[C@@H]1CCCO1 ZINC000468508981 244047211 /nfs/dbraw/zinc/04/72/11/244047211.db2.gz ZASIPWKYKCXOKL-KRWDZBQOSA-N 1 0 319.445 3.499 10 0 DGAERO CC(C)[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000115834142 284117001 /nfs/dbraw/zinc/11/70/01/284117001.db2.gz LOHFKOGPMODBLI-BBRMVZONSA-N 1 0 323.868 3.383 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116126852 284118775 /nfs/dbraw/zinc/11/87/75/284118775.db2.gz CMUPRGVNFPNBAW-NVXWUHKLSA-N 1 0 304.478 3.348 10 0 DGAERO CC[C@H](C)C[NH2+]C[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000093082019 193200203 /nfs/dbraw/zinc/20/02/03/193200203.db2.gz CFVMTUUDQRWYQL-GJZGRUSLSA-N 1 0 306.450 3.166 10 0 DGAERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCc1nc2ccccc2n1C ZINC000470939371 244196971 /nfs/dbraw/zinc/19/69/71/244196971.db2.gz DXFLTUGJVPVXLM-VXGBXAGGSA-N 1 0 311.351 3.389 10 0 DGAERO O=C1CC[N@H+](Cc2ccc(Sc3ccccc3)cc2)CCN1 ZINC000093101693 193203520 /nfs/dbraw/zinc/20/35/20/193203520.db2.gz WNYCLQQAXMIRHP-UHFFFAOYSA-N 1 0 312.438 3.160 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000471821722 244254780 /nfs/dbraw/zinc/25/47/80/244254780.db2.gz SPRHJJPDQKVWDV-NVXWUHKLSA-N 1 0 319.836 3.491 10 0 DGAERO COc1c(Br)cccc1C[NH2+][C@@H]1CC[C@H](OC)C1 ZINC000471823768 244254934 /nfs/dbraw/zinc/25/49/34/244254934.db2.gz ZELBKSXWVAXTDT-NEPJUHHUSA-N 1 0 314.223 3.115 10 0 DGAERO CO[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000471826258 244255403 /nfs/dbraw/zinc/25/54/03/244255403.db2.gz XQDILMGKNOCVNN-MSOLQXFVSA-N 1 0 312.413 3.318 10 0 DGAERO C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000093134889 193205750 /nfs/dbraw/zinc/20/57/50/193205750.db2.gz QLXDJWUVQBLXDW-AWEZNQCLSA-N 1 0 318.465 3.032 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)C2(CCOC)CCCC2)CC1 ZINC000471775405 244244118 /nfs/dbraw/zinc/24/41/18/244244118.db2.gz VSMWFQHINGENKU-UHFFFAOYSA-N 1 0 324.509 3.164 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119027615 284132781 /nfs/dbraw/zinc/13/27/81/284132781.db2.gz ACOVPULPZJKDLZ-ROUUACIJSA-N 1 0 302.462 3.292 10 0 DGAERO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000472331430 244296601 /nfs/dbraw/zinc/29/66/01/244296601.db2.gz XTYAZAGKLZKIBI-PGRDOPGGSA-N 1 0 316.470 3.360 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000262157814 203214754 /nfs/dbraw/zinc/21/47/54/203214754.db2.gz UBNPNHAGNLZFKS-ZFWWWQNUSA-N 1 0 316.367 3.184 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC1CCCCC1)C1CCC(F)(F)CC1 ZINC000474071231 244365043 /nfs/dbraw/zinc/36/50/43/244365043.db2.gz FBDYSFJTCXRFAP-LBPRGKRZSA-N 1 0 302.409 3.239 10 0 DGAERO CC(C)N(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119598577 284146796 /nfs/dbraw/zinc/14/67/96/284146796.db2.gz SDGMVAJCQLKDHK-SFHVURJKSA-N 1 0 303.450 3.091 10 0 DGAERO Cc1sc2nc(C[N@H+]3CC[C@@H](C)[C@H](C)C3)nc(N)c2c1C ZINC000093256724 193221375 /nfs/dbraw/zinc/22/13/75/193221375.db2.gz JUNQPCCNABXIKV-NXEZZACHSA-N 1 0 304.463 3.368 10 0 DGAERO Cc1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c(C)c1 ZINC000093272596 193222453 /nfs/dbraw/zinc/22/24/53/193222453.db2.gz JAHNJVTZVHQUBS-UHFFFAOYSA-N 1 0 310.445 3.194 10 0 DGAERO CCc1cc(C)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)o1 ZINC000120213774 284163439 /nfs/dbraw/zinc/16/34/39/284163439.db2.gz XRBPJWNUQIFXEI-OAHLLOKOSA-N 1 0 304.434 3.241 10 0 DGAERO COc1c(C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)c(C)nn1C ZINC000093535065 193266177 /nfs/dbraw/zinc/26/61/77/193266177.db2.gz VCAICEIOXQXJGA-CQSZACIVSA-N 1 0 301.434 3.109 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cc(C(N)=O)cs2)cc1 ZINC000093535145 193266487 /nfs/dbraw/zinc/26/64/87/193266487.db2.gz PWCMFKYJUMTPGO-CYBMUJFWSA-N 1 0 302.443 3.218 10 0 DGAERO Cc1cc(C)n2c(C[N@H+](C)CCc3cccs3)cnc2n1 ZINC000093685466 193288812 /nfs/dbraw/zinc/28/88/12/193288812.db2.gz WTTZTQOOCBGCTI-UHFFFAOYSA-N 1 0 300.431 3.082 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093753242 193300695 /nfs/dbraw/zinc/30/06/95/193300695.db2.gz DBOQTMYVLPTZSP-INIZCTEOSA-N 1 0 312.461 3.240 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccc(OCCOC)cc1 ZINC000093764683 193301779 /nfs/dbraw/zinc/30/17/79/193301779.db2.gz CGAOYCBHHKYCMD-UHFFFAOYSA-N 1 0 320.458 3.233 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CCN1C ZINC000093644845 193281143 /nfs/dbraw/zinc/28/11/43/193281143.db2.gz UJXBHJVSEROJBL-OCCSQVGLSA-N 1 0 316.367 3.500 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3cccn3C)C2)c1 ZINC000093838119 193315080 /nfs/dbraw/zinc/31/50/80/193315080.db2.gz CZYYLTQGSSMGNY-AWEZNQCLSA-N 1 0 300.402 3.032 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246347855 432121094 /nfs/dbraw/zinc/12/10/94/432121094.db2.gz HOXHNYQZSONTGM-IAQYHMDHSA-N 1 0 309.841 3.499 10 0 DGAERO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c(F)c2)cc1 ZINC000120892619 284180681 /nfs/dbraw/zinc/18/06/81/284180681.db2.gz KFOBBKMNVCPXQU-ZDUSSCGKSA-N 1 0 316.376 3.432 10 0 DGAERO CC[C@H]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000120779552 284178122 /nfs/dbraw/zinc/17/81/22/284178122.db2.gz QFQQPWRTWTVZTN-OTBWCIGPSA-N 1 0 309.498 3.375 10 0 DGAERO CC(C)(C)NC(=O)C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000120962786 284183217 /nfs/dbraw/zinc/18/32/17/284183217.db2.gz OIVRHVBKBXGEGF-KRWDZBQOSA-N 1 0 300.446 3.443 10 0 DGAERO COc1cccc([C@@H]2[C@@H]([NH2+][C@@H](C)C3CC3)CCN2C2CC2)c1 ZINC000181283245 432121411 /nfs/dbraw/zinc/12/14/11/432121411.db2.gz UKGSMZNMMKXASW-FASAQXTFSA-N 1 0 300.446 3.361 10 0 DGAERO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H](C)CS(C)(=O)=O)c1 ZINC000246346142 432121412 /nfs/dbraw/zinc/12/14/12/432121412.db2.gz IOKCGCRXIAGOFK-WMLDXEAASA-N 1 0 309.475 3.121 10 0 DGAERO CC(C)C1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000121283081 284193142 /nfs/dbraw/zinc/19/31/42/284193142.db2.gz AKJARCAEZOKSBB-RDHHWEPZSA-N 1 0 309.498 3.325 10 0 DGAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCc2ccccc2F)CC1 ZINC000121357879 284195384 /nfs/dbraw/zinc/19/53/84/284195384.db2.gz FCCLWEKXYXUOKQ-OAHLLOKOSA-N 1 0 320.452 3.241 10 0 DGAERO Cc1cc(F)ccc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000121814417 284206187 /nfs/dbraw/zinc/20/61/87/284206187.db2.gz NOMLCKSGOBCCOP-KRWDZBQOSA-N 1 0 314.404 3.037 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CCSC2)cc(COC2CCOCC2)c1 ZINC000487305780 245047131 /nfs/dbraw/zinc/04/71/31/245047131.db2.gz NEMRRJIFKIDKCP-KRWDZBQOSA-N 1 0 321.486 3.225 10 0 DGAERO C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1c(Br)cnn1C ZINC000487309819 245047567 /nfs/dbraw/zinc/04/75/67/245047567.db2.gz OYEITHAJGCKZCK-NEPJUHHUSA-N 1 0 314.271 3.489 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCCC2(C)C)[C@@H](C)C1 ZINC000246366000 432123151 /nfs/dbraw/zinc/12/31/51/432123151.db2.gz HAWXOMRTOOJAAW-HRCADAONSA-N 1 0 309.498 3.327 10 0 DGAERO CCCC[N@H+](C)CCNC(=O)Cc1csc2ccccc12 ZINC000488894201 245244669 /nfs/dbraw/zinc/24/46/69/245244669.db2.gz JAODGIODDWLKEC-UHFFFAOYSA-N 1 0 304.459 3.292 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124124345 284253263 /nfs/dbraw/zinc/25/32/63/284253263.db2.gz MFSOXWGFKBWNSO-QGZVFWFLSA-N 1 0 324.424 3.198 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000124283786 284256147 /nfs/dbraw/zinc/25/61/47/284256147.db2.gz ZVZAWCXLELUFMZ-FQEVSTJZSA-N 1 0 311.473 3.499 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)NCCC1=CCCC1)c1cccs1 ZINC000126082562 284292988 /nfs/dbraw/zinc/29/29/88/284292988.db2.gz NEAGYONCTYENQX-CQSZACIVSA-N 1 0 307.463 3.150 10 0 DGAERO CN(CCN1CCO[C@H](c2ccsc2)C1)c1ccccc1 ZINC000126277581 284299497 /nfs/dbraw/zinc/29/94/97/284299497.db2.gz SCZYLMJOKIYFBP-KRWDZBQOSA-N 1 0 302.443 3.258 10 0 DGAERO Cc1cc(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1C1CC1 ZINC000246383831 432125695 /nfs/dbraw/zinc/12/56/95/432125695.db2.gz RUBBGFJOYRFMDR-GUYCJALGSA-N 1 0 317.477 3.037 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)NCCC1=CCCC1)c1cccc(F)c1 ZINC000126784750 284316638 /nfs/dbraw/zinc/31/66/38/284316638.db2.gz XVQALSRYAACHQD-QGZVFWFLSA-N 1 0 319.424 3.228 10 0 DGAERO CC(C)Cc1ccc([C@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000126835063 284318350 /nfs/dbraw/zinc/31/83/50/284318350.db2.gz OYXOXPSVZLXRHH-MAUKXSAKSA-N 1 0 302.462 3.151 10 0 DGAERO O=C(Nc1ccc2c(c1)CCCO2)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440140444 284325427 /nfs/dbraw/zinc/32/54/27/284325427.db2.gz HDNMVUWQFWQXTF-QGZVFWFLSA-N 1 0 314.429 3.357 10 0 DGAERO CCCCCOc1cc(C[NH2+]Cc2ccnn2C)ccc1OC ZINC000127276176 284332655 /nfs/dbraw/zinc/33/26/55/284332655.db2.gz OHJYGISVVXDOQI-UHFFFAOYSA-N 1 0 317.433 3.288 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000127587227 284344750 /nfs/dbraw/zinc/34/47/50/284344750.db2.gz ZFVCWJSCEFACID-QYZOEREBSA-N 1 0 323.440 3.145 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C2CCCCC2)[C@@H](C)C1 ZINC000246395784 432127630 /nfs/dbraw/zinc/12/76/30/432127630.db2.gz JOLVKPBTOBECHH-UXLLHSPISA-N 1 0 309.498 3.327 10 0 DGAERO c1ccc(COC2CC([NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)C2)cc1 ZINC000491863207 245575454 /nfs/dbraw/zinc/57/54/54/245575454.db2.gz DSWNBAGTYIDJGV-JIARVOFWSA-N 1 0 301.430 3.281 10 0 DGAERO CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000246419518 432128330 /nfs/dbraw/zinc/12/83/30/432128330.db2.gz LTZWUFAFAVUDCA-WCXIOVBPSA-N 1 0 309.498 3.327 10 0 DGAERO Cc1ccc(-c2ccc(CN3CCO[C@@H](C[NH+](C)C)C3)o2)cc1 ZINC000128078592 284362859 /nfs/dbraw/zinc/36/28/59/284362859.db2.gz MPFVSZURQJQARS-SFHVURJKSA-N 1 0 314.429 3.017 10 0 DGAERO C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000128477688 284376709 /nfs/dbraw/zinc/37/67/09/284376709.db2.gz NFWOVUFGMQESQH-QZTJIDSGSA-N 1 0 309.542 3.209 10 0 DGAERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000128737632 284385149 /nfs/dbraw/zinc/38/51/49/284385149.db2.gz HQSPFMMBAUIVSL-UHFFFAOYSA-N 1 0 319.836 3.296 10 0 DGAERO CCc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)s1 ZINC000282978182 217364574 /nfs/dbraw/zinc/36/45/74/217364574.db2.gz ZNCBSKKNEOVYBM-NSHDSACASA-N 1 0 313.467 3.051 10 0 DGAERO CC1CCN([C@@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000019282566 182111908 /nfs/dbraw/zinc/11/19/08/182111908.db2.gz RNIWFPIMYFGMGJ-JTQLQIEISA-N 1 0 303.269 3.242 10 0 DGAERO CC(C)CCOC(=O)[C@@H](NCC[NH+]1CCCC1)c1ccccc1 ZINC000019368427 182120358 /nfs/dbraw/zinc/12/03/58/182120358.db2.gz HKVGEMSALZULPM-SFHVURJKSA-N 1 0 318.461 3.002 10 0 in-man DGAERO O=C(Nc1cccc(Br)c1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019488989 182125449 /nfs/dbraw/zinc/12/54/49/182125449.db2.gz GKWPAVOWAHSHFX-LEWSCRJBSA-N 1 0 323.234 3.308 10 0 DGAERO NC(=[NH2+])c1cccc(OCc2ccc(Br)s2)c1 ZINC000019507224 182126711 /nfs/dbraw/zinc/12/67/11/182126711.db2.gz SEEDDGVCNYNUHA-UHFFFAOYSA-N 1 0 311.204 3.374 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2CCSc2ccccc2F)cn1 ZINC000171413019 432130697 /nfs/dbraw/zinc/13/06/97/432130697.db2.gz JLLPLJZNNSYANH-OAHLLOKOSA-N 1 0 305.422 3.488 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)NCCC1=CCCC1)c1ccco1 ZINC000129337615 284405950 /nfs/dbraw/zinc/40/59/50/284405950.db2.gz IOBPENPVVQXQFN-MRXNPFEDSA-N 1 0 319.449 3.462 10 0 DGAERO COc1ccc2ccccc2c1C[NH2+]CC[C@H](C)[S@](C)=O ZINC000129497056 284411897 /nfs/dbraw/zinc/41/18/97/284411897.db2.gz MZYGUYFRYDPKHJ-YEJXKQKISA-N 1 0 305.443 3.095 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2ccc(F)cc2Cl)CC1 ZINC000129518079 284412705 /nfs/dbraw/zinc/41/27/05/284412705.db2.gz JGPQKCUFPOAWGO-UHFFFAOYSA-N 1 0 312.816 3.329 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2cccc3c2CCC3)CC1 ZINC000129607364 284416210 /nfs/dbraw/zinc/41/62/10/284416210.db2.gz WWAIFPSUPDQOSJ-UHFFFAOYSA-N 1 0 300.446 3.026 10 0 DGAERO CCC(CC)[C@@H](CNCc1ccc(Br)o1)[NH+](C)C ZINC000020201988 182196882 /nfs/dbraw/zinc/19/68/82/182196882.db2.gz ZAXMWEGKFBVFLW-CYBMUJFWSA-N 1 0 317.271 3.498 10 0 DGAERO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000020269858 182201917 /nfs/dbraw/zinc/20/19/17/182201917.db2.gz MWGSFROPHJWYTM-QMMMGPOBSA-N 1 0 306.715 3.297 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129794753 284423470 /nfs/dbraw/zinc/42/34/70/284423470.db2.gz LELNKIAUYVOQKR-QDIHITRGSA-N 1 0 320.502 3.397 10 0 DGAERO C[C@@H]1CC[C@@H](CC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000130246568 284437344 /nfs/dbraw/zinc/43/73/44/284437344.db2.gz GBZMAICARCECCX-ZIAGYGMSSA-N 1 0 306.425 3.330 10 0 DGAERO CC(C)[N@H+](C)[C@H](C)C(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000021810237 182292172 /nfs/dbraw/zinc/29/21/72/182292172.db2.gz LOUNQINDDUUPIK-MRVPVSSYSA-N 1 0 304.221 3.243 10 0 DGAERO C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022197434 182312940 /nfs/dbraw/zinc/31/29/40/182312940.db2.gz ANHZFBHERWQJHG-MRXNPFEDSA-N 1 0 308.425 3.312 10 0 DGAERO [NH3+]C[C@H](c1cc(Br)ccc1F)N1CCCCCC1 ZINC000022221450 182313605 /nfs/dbraw/zinc/31/36/05/182313605.db2.gz DMXZTHXJPWUTTB-CQSZACIVSA-N 1 0 315.230 3.464 10 0 DGAERO c1ccc(COC2CC([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)C2)cc1 ZINC000494774469 246190590 /nfs/dbraw/zinc/19/05/90/246190590.db2.gz ICUJVRDKUVEBOH-LWSMDNFKSA-N 1 0 301.430 3.281 10 0 DGAERO Cc1ccc(-c2nc3ccc(C)cn3c2CN2CC[NH2+]CC2)cc1 ZINC000022465175 182322832 /nfs/dbraw/zinc/32/28/32/182322832.db2.gz LXXBXSZDZHUDEI-UHFFFAOYSA-N 1 0 320.440 3.023 10 0 DGAERO CCCC[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)OC ZINC000135143152 284462714 /nfs/dbraw/zinc/46/27/14/284462714.db2.gz LDHMIIASQSEQRM-SFHVURJKSA-N 1 0 318.461 3.104 10 0 DGAERO N[C@H](c1ccc(O)cc1Cl)[C@@H]([NH3+])c1ccc(O)cc1Cl ZINC000022931057 182341845 /nfs/dbraw/zinc/34/18/45/182341845.db2.gz FLWHMEPBYLAJEI-OKILXGFUSA-N 1 0 313.184 3.104 10 0 DGAERO Cc1cccc([C@H](C)CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246486377 432137163 /nfs/dbraw/zinc/13/71/63/432137163.db2.gz VZZZXVPOLVFCES-SOLBZPMBSA-N 1 0 317.477 3.223 10 0 DGAERO Fc1ccccc1CC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000137556421 284520479 /nfs/dbraw/zinc/52/04/79/284520479.db2.gz DBUDTEJISXLACB-UHFFFAOYSA-N 1 0 324.403 3.291 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000137939302 284522484 /nfs/dbraw/zinc/52/24/84/284522484.db2.gz IRFKQFZZQHQSDG-KLHKWILBSA-N 1 0 317.477 3.476 10 0 DGAERO C[C@H](C(=O)Nc1ccnn1[C@@H](C)C1CC1)[C@@H]([NH3+])c1ccccc1 ZINC000246492093 432138507 /nfs/dbraw/zinc/13/85/07/432138507.db2.gz PHNZTNMVGLZEGD-GDZNZVCISA-N 1 0 312.417 3.129 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2CCSc2ccc(F)cc2)cn1 ZINC000171504657 432138721 /nfs/dbraw/zinc/13/87/21/432138721.db2.gz DLAAJMAMYCPTBW-MRXNPFEDSA-N 1 0 305.422 3.488 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC2CCCC2)[C@@H](C)C1 ZINC000246519293 432139812 /nfs/dbraw/zinc/13/98/12/432139812.db2.gz UQEGPAXUVAHLTC-RDJZCZTQSA-N 1 0 309.498 3.329 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccccc1OC ZINC000181702190 432142033 /nfs/dbraw/zinc/14/20/33/432142033.db2.gz UYWPIDGLTLFCAJ-NVXWUHKLSA-N 1 0 311.429 3.410 10 0 DGAERO NC(=O)C1CCC([NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000037152731 182870427 /nfs/dbraw/zinc/87/04/27/182870427.db2.gz MBIIOWUYHDBCCR-UHFFFAOYSA-N 1 0 306.837 3.220 10 0 DGAERO CCc1cccc(C)c1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246557707 432143814 /nfs/dbraw/zinc/14/38/14/432143814.db2.gz WMQCBBKIQJKBBP-ZBFHGGJFSA-N 1 0 303.450 3.408 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246582739 432145991 /nfs/dbraw/zinc/14/59/91/432145991.db2.gz YGRXXDLURMSTGG-GOEBONIOSA-N 1 0 319.449 3.324 10 0 DGAERO c1cnnc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H](C4CC4)C3)C2)c1 ZINC000246591582 432147262 /nfs/dbraw/zinc/14/72/62/432147262.db2.gz ZJUBGLMHMLCTDH-ZACQAIPSSA-N 1 0 300.450 3.004 10 0 DGAERO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nnc3n2CCCC3)C1(C)C ZINC000181835876 432147401 /nfs/dbraw/zinc/14/74/01/432147401.db2.gz KOAPPPQFYBYCFW-SOUVJXGZSA-N 1 0 320.481 3.249 10 0 DGAERO C[C@@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246611777 432148375 /nfs/dbraw/zinc/14/83/75/432148375.db2.gz YECSJYOXPOOJIH-JKIFEVAISA-N 1 0 308.853 3.054 10 0 DGAERO COc1ccc(Cc2ccccc2C2(O)CC[NH+](C)CC2)cc1 ZINC000039244725 183015654 /nfs/dbraw/zinc/01/56/54/183015654.db2.gz YXRCVCSVVFICHT-UHFFFAOYSA-N 1 0 311.425 3.199 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000040502712 183084553 /nfs/dbraw/zinc/08/45/53/183084553.db2.gz XAMMMZNEHAMDKE-LLVKDONJSA-N 1 0 303.269 3.085 10 0 DGAERO [NH3+][C@H](CC(=O)NCCc1cccc(Cl)c1)c1ccccc1 ZINC000040832643 183139435 /nfs/dbraw/zinc/13/94/35/183139435.db2.gz JFUBPCWFTCMLIX-MRXNPFEDSA-N 1 0 302.805 3.089 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2c3ccccc3CCC2(C)C)C1 ZINC000153000739 284652617 /nfs/dbraw/zinc/65/26/17/284652617.db2.gz DFUBLMCWZJTAFN-RDJZCZTQSA-N 1 0 315.461 3.046 10 0 DGAERO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1cccs1 ZINC000171605125 432149771 /nfs/dbraw/zinc/14/97/71/432149771.db2.gz IGIGDHGRKFXKCZ-UKRRQHHQSA-N 1 0 302.443 3.098 10 0 DGAERO Cc1cccn2c(C[NH2+]CCc3cc(C)c(O)c(C)c3)cnc12 ZINC000190392006 432150126 /nfs/dbraw/zinc/15/01/26/432150126.db2.gz KWDSDJKCHAGIIG-UHFFFAOYSA-N 1 0 309.413 3.297 10 0 DGAERO [NH3+]CCN(Cc1ccc(F)c(Br)c1)C1CCCC1 ZINC000042428411 183269246 /nfs/dbraw/zinc/26/92/46/183269246.db2.gz HXNITHJVLJTWDD-UHFFFAOYSA-N 1 0 315.230 3.292 10 0 DGAERO CCC[NH2+]Cc1cnn(-c2ccccc2Br)c1C ZINC000042355869 183257640 /nfs/dbraw/zinc/25/76/40/183257640.db2.gz USYZWRFBEQTIKH-UHFFFAOYSA-N 1 0 308.223 3.443 10 0 DGAERO CC(C)[N@H+](CCC(N)=S)Cc1ccc(Br)cc1 ZINC000042529465 183281245 /nfs/dbraw/zinc/28/12/45/183281245.db2.gz SARZPRJIRYSRJC-UHFFFAOYSA-N 1 0 315.280 3.336 10 0 DGAERO CN(Cc1cc(Br)cs1)c1ncccc1C[NH3+] ZINC000042397897 183263610 /nfs/dbraw/zinc/26/36/10/183263610.db2.gz GTCCNCHXFHGXMY-UHFFFAOYSA-N 1 0 312.236 3.001 10 0 DGAERO CCCN(CC[NH2+]C)Cc1ccc(F)cc1Br ZINC000042404093 183264267 /nfs/dbraw/zinc/26/42/67/183264267.db2.gz VFOMIPVMTZAKNO-UHFFFAOYSA-N 1 0 303.219 3.020 10 0 DGAERO C[N@@H+]1CC[C@@H](n2c(=S)[nH]c3cc(Br)ccc32)C1 ZINC000042548468 183282763 /nfs/dbraw/zinc/28/27/63/183282763.db2.gz FCPVSGLGJCVGAL-SECBINFHSA-N 1 0 312.236 3.338 10 0 DGAERO Cc1csc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000042656158 183294963 /nfs/dbraw/zinc/29/49/63/183294963.db2.gz KPPYUFUBMAHVBD-UHFFFAOYSA-N 1 0 305.422 3.303 10 0 DGAERO Cc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246634441 432150304 /nfs/dbraw/zinc/15/03/04/432150304.db2.gz HWQHOLFAPXEKBC-KBPBESRZSA-N 1 0 323.868 3.001 10 0 DGAERO CCN([C@@H](C[NH3+])c1ccc(Cl)cc1Cl)[C@@H](C)COC ZINC000042743278 183304361 /nfs/dbraw/zinc/30/43/61/183304361.db2.gz NEJLSOGIGDDJLB-HZMBPMFUSA-N 1 0 305.249 3.350 10 0 DGAERO CC[C@H]([NH3+])[C@H](SCCC(=O)OC)c1ccc(Cl)cc1 ZINC000042951107 183320859 /nfs/dbraw/zinc/32/08/59/183320859.db2.gz UMIRYCVGOPFNMR-GXTWGEPZSA-N 1 0 301.839 3.415 10 0 DGAERO CCOC(=O)CS[C@@H](c1ccc(Cl)cc1)[C@H]([NH3+])CC ZINC000042951199 183320968 /nfs/dbraw/zinc/32/09/68/183320968.db2.gz HOINUTIOAXEMQS-OCCSQVGLSA-N 1 0 301.839 3.415 10 0 DGAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cc(Cl)cn1 ZINC000042956053 183322842 /nfs/dbraw/zinc/32/28/42/183322842.db2.gz MOMVHEHLJHCGDM-PRHODGIISA-N 1 0 314.614 3.236 10 0 DGAERO C[C@@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccc(Br)cc1 ZINC000042956331 183322989 /nfs/dbraw/zinc/32/29/89/183322989.db2.gz VROQJRHHJBZMMR-GMSGAONNSA-N 1 0 312.129 3.416 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1cccc(F)c1)n1cc(Br)cn1 ZINC000042973235 183324087 /nfs/dbraw/zinc/32/40/87/183324087.db2.gz JGGUUKYIOOBVOI-STQMWFEESA-N 1 0 312.186 3.111 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)n1cc(C)cn1 ZINC000043022161 183329693 /nfs/dbraw/zinc/32/96/93/183329693.db2.gz KCSVIUGEPXTACI-ZIAGYGMSSA-N 1 0 308.223 3.281 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](OCCCOC)c1cccc(Br)c1 ZINC000043023931 183331214 /nfs/dbraw/zinc/33/12/14/183331214.db2.gz CVCIJVIDDWDDSV-KGLIPLIRSA-N 1 0 316.239 3.281 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1ccccc1C)n1cc(Br)cn1 ZINC000043037938 183331832 /nfs/dbraw/zinc/33/18/32/183331832.db2.gz ZWVQYPYCICTJOM-UONOGXRCSA-N 1 0 308.223 3.281 10 0 DGAERO CC[C@H]([NH3+])[C@@H](OCCCOC)c1ccccc1Br ZINC000043095490 183337594 /nfs/dbraw/zinc/33/75/94/183337594.db2.gz UEUYIMSGFLZOFD-KBPBESRZSA-N 1 0 316.239 3.281 10 0 DGAERO [NH3+]C[C@H](OC[C@H]1CCCCO1)c1ccccc1Br ZINC000043094745 183337789 /nfs/dbraw/zinc/33/77/89/183337789.db2.gz QHISBRAESQYYKC-RISCZKNCSA-N 1 0 314.223 3.035 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000043331976 183356153 /nfs/dbraw/zinc/35/61/53/183356153.db2.gz PXOFYWJBXMCRIY-LLVKDONJSA-N 1 0 313.829 3.200 10 0 DGAERO CCc1c(C)nn([C@@H](C[NH3+])c2ccccc2Br)c1C ZINC000043093864 183336380 /nfs/dbraw/zinc/33/63/80/183336380.db2.gz SELCKRVFPFROSY-HNNXBMFYSA-N 1 0 322.250 3.373 10 0 DGAERO CCc1nccn1[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093909 183336460 /nfs/dbraw/zinc/33/64/60/183336460.db2.gz KOWYTJLDCSUDNZ-YGRLFVJLSA-N 1 0 308.223 3.145 10 0 DGAERO CC[N@H+](CCC(N)=S)Cc1cc(Br)cs1 ZINC000043687167 183380354 /nfs/dbraw/zinc/38/03/54/183380354.db2.gz LEAZYPBPJPPJCM-UHFFFAOYSA-N 1 0 307.282 3.009 10 0 DGAERO COc1ccccc1CC[N@H+](C)CCCOCC(F)(F)F ZINC000104711335 194029505 /nfs/dbraw/zinc/02/95/05/194029505.db2.gz JWMULHNMLBJCKO-UHFFFAOYSA-N 1 0 305.340 3.139 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(F)c(F)cc1F ZINC000105046042 194067183 /nfs/dbraw/zinc/06/71/83/194067183.db2.gz HBRVZKLQEGXEMI-SNVBAGLBSA-N 1 0 315.339 3.100 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104971669 194060012 /nfs/dbraw/zinc/06/00/12/194060012.db2.gz PMKDKGDSNBHMKW-CQSZACIVSA-N 1 0 307.825 3.350 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc3ccccc3c2)C1 ZINC000105174514 194082526 /nfs/dbraw/zinc/08/25/26/194082526.db2.gz QPOPQEYLOBAMKR-SFHVURJKSA-N 1 0 311.429 3.123 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)c(F)c1 ZINC000105802358 194131975 /nfs/dbraw/zinc/13/19/75/194131975.db2.gz NTDVCWHWOBYTFE-GXTWGEPZSA-N 1 0 318.371 3.074 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)CC2 ZINC000105873905 194152959 /nfs/dbraw/zinc/15/29/59/194152959.db2.gz OKRCMYOGQSYFMZ-SWLSCSKDSA-N 1 0 302.397 3.206 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)CC2 ZINC000105874352 194153627 /nfs/dbraw/zinc/15/36/27/194153627.db2.gz VPNASQNWFXSKNM-DGCLKSJQSA-N 1 0 320.387 3.345 10 0 DGAERO FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105883213 194155894 /nfs/dbraw/zinc/15/58/94/194155894.db2.gz CZCCFXGEIYDXOC-CQSZACIVSA-N 1 0 324.350 3.209 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000105884792 194157822 /nfs/dbraw/zinc/15/78/22/194157822.db2.gz LEZWUHRSFOWCLK-OAHLLOKOSA-N 1 0 318.852 3.461 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1cc(C)sc1C ZINC000049132308 284762876 /nfs/dbraw/zinc/76/28/76/284762876.db2.gz APUVPIGGKIURIW-AAEUAGOBSA-N 1 0 311.495 3.455 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000105928363 194173428 /nfs/dbraw/zinc/17/34/28/194173428.db2.gz BWCAZUYTXZDRHB-CYBMUJFWSA-N 1 0 302.397 3.378 10 0 DGAERO COc1ccc(Cl)cc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184692 194189325 /nfs/dbraw/zinc/18/93/25/194189325.db2.gz LLAOPNHPWQLZLZ-UHFFFAOYSA-N 1 0 319.836 3.457 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCOc1ccccc1F ZINC000106210668 194189346 /nfs/dbraw/zinc/18/93/46/194189346.db2.gz TXILPMXGOZORLO-MRXNPFEDSA-N 1 0 317.408 3.392 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)c1 ZINC000106224939 194190783 /nfs/dbraw/zinc/19/07/83/194190783.db2.gz MBBGXBYFVCCSIE-MRXNPFEDSA-N 1 0 303.381 3.047 10 0 DGAERO Clc1cccc(OCCC[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000106217966 194190937 /nfs/dbraw/zinc/19/09/37/194190937.db2.gz ODRLYEVOAPNOKD-OAHLLOKOSA-N 1 0 320.824 3.038 10 0 DGAERO COc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1C ZINC000107523423 194255995 /nfs/dbraw/zinc/25/59/95/194255995.db2.gz ONZCCEUSZNHWPN-QGZVFWFLSA-N 1 0 316.445 3.094 10 0 DGAERO C[NH2+]C[C@@H](OCCOC(C)C)c1ccccc1Br ZINC000050495253 183787853 /nfs/dbraw/zinc/78/78/53/183787853.db2.gz YMAKXEBKLXIXBS-CQSZACIVSA-N 1 0 316.239 3.151 10 0 DGAERO CC[NH2+]C[C@@H](OCCCOC)c1cccc(Br)c1 ZINC000050486432 183788011 /nfs/dbraw/zinc/78/80/11/183788011.db2.gz GHKSZMMXQZMMBM-CQSZACIVSA-N 1 0 316.239 3.153 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000245654706 284833857 /nfs/dbraw/zinc/83/38/57/284833857.db2.gz CICAESIHROSPBW-XHSDSOJGSA-N 1 0 321.465 3.493 10 0 DGAERO CC[NH+](CC)[C@H](CNc1ccnc(C2CC2)n1)c1ccco1 ZINC000110319329 194321720 /nfs/dbraw/zinc/32/17/20/194321720.db2.gz VSGLUOIMHZTDKL-CQSZACIVSA-N 1 0 300.406 3.442 10 0 DGAERO O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000053156667 183890155 /nfs/dbraw/zinc/89/01/55/183890155.db2.gz WQISGZCLLOKVAJ-CQDKDKBSSA-N 1 0 310.800 3.016 10 0 DGAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000245924182 284854968 /nfs/dbraw/zinc/85/49/68/284854968.db2.gz ROPRSRLRIAWNFE-IMJJTQAJSA-N 1 0 320.481 3.028 10 0 DGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000245924179 284855008 /nfs/dbraw/zinc/85/50/08/284855008.db2.gz ROPRSRLRIAWNFE-BPUTZDHNSA-N 1 0 320.481 3.028 10 0 DGAERO CC[NH2+]C[C@@]1(Cc2ccc(Br)cc2F)CCOC1 ZINC000054664042 183947621 /nfs/dbraw/zinc/94/76/21/183947621.db2.gz GGDUMABGDJLIOE-AWEZNQCLSA-N 1 0 316.214 3.147 10 0 DGAERO Cc1csc(C[C@H]([NH3+])Cc2ccc(Br)cc2)n1 ZINC000055267611 183975306 /nfs/dbraw/zinc/97/53/06/183975306.db2.gz UKFAETYSSLNNGO-GFCCVEGCSA-N 1 0 311.248 3.327 10 0 DGAERO COc1ccc(OC)c([C@H](C[NH3+])Nc2ccc(Cl)cc2)c1 ZINC000057637735 184043409 /nfs/dbraw/zinc/04/34/09/184043409.db2.gz MFGPKQQZCZDECZ-HNNXBMFYSA-N 1 0 306.793 3.469 10 0 DGAERO [NH3+]C[C@H](C(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000061610845 184178550 /nfs/dbraw/zinc/17/85/50/184178550.db2.gz ZNSZIIVPYNXLAV-AWEZNQCLSA-N 1 0 319.202 3.130 10 0 DGAERO CN(Cc1cccc(Br)c1)c1cccc(C(N)=[NH2+])c1 ZINC000061951213 184198545 /nfs/dbraw/zinc/19/85/45/184198545.db2.gz UKQFXIUIDXVKIR-UHFFFAOYSA-N 1 0 318.218 3.370 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC000246533681 284905635 /nfs/dbraw/zinc/90/56/35/284905635.db2.gz WWOMWEDEKUHWKS-SQGPQFPESA-N 1 0 314.473 3.270 10 0 DGAERO CC[C@@]1(C(=O)Nc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000062852473 184256627 /nfs/dbraw/zinc/25/66/27/184256627.db2.gz XLRSNMLOBPLUQZ-CQSZACIVSA-N 1 0 311.223 3.167 10 0 DGAERO Brc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000063197537 184278045 /nfs/dbraw/zinc/27/80/45/184278045.db2.gz DTYCGYUKLLDJSZ-ZDUSSCGKSA-N 1 0 313.239 3.006 10 0 DGAERO C[NH2+]Cc1c(C)nn(C)c1Oc1ccc(Br)cc1C ZINC000063062148 184268867 /nfs/dbraw/zinc/26/88/67/184268867.db2.gz CFMPCEFZYBLTJM-UHFFFAOYSA-N 1 0 324.222 3.311 10 0 DGAERO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000064499066 184298858 /nfs/dbraw/zinc/29/88/58/184298858.db2.gz BXGWFVQTVTXTTP-DLBZAZTESA-N 1 0 318.848 3.140 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)CC1 ZINC000063735002 184287501 /nfs/dbraw/zinc/28/75/01/184287501.db2.gz HHOFEQZDLZLOQL-UHFFFAOYSA-N 1 0 321.424 3.487 10 0 DGAERO c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000065314280 184324248 /nfs/dbraw/zinc/32/42/48/184324248.db2.gz FVNABJMMLSFTML-MRXNPFEDSA-N 1 0 319.412 3.246 10 0 DGAERO COC[C@@H](c1ccccn1)[N@H+](C)Cc1ccnc2ccccc12 ZINC000065407022 184338772 /nfs/dbraw/zinc/33/87/72/184338772.db2.gz MAOVLTRDTAOCLC-IBGZPJMESA-N 1 0 307.397 3.449 10 0 DGAERO CSCCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112589682 194489595 /nfs/dbraw/zinc/48/95/95/194489595.db2.gz AJZYMOXIZYOJNE-UHFFFAOYSA-N 1 0 320.502 3.432 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246996497 284935357 /nfs/dbraw/zinc/93/53/57/284935357.db2.gz MVVCOPFXYJXQEY-ZYSHUDEJSA-N 1 0 314.473 3.324 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116541336 194754703 /nfs/dbraw/zinc/75/47/03/194754703.db2.gz YQSXYCTWQBAYON-MRXNPFEDSA-N 1 0 319.449 3.391 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000082348946 252589665 /nfs/dbraw/zinc/58/96/65/252589665.db2.gz LBNXDTTZLCIWAO-UHFFFAOYSA-N 1 0 301.217 3.160 10 0 DGAERO CCc1noc([C@H](C)N2CC[NH+](C[C@H]3CCCC[C@H]3C)CC2)n1 ZINC000248453124 284999562 /nfs/dbraw/zinc/99/95/62/284999562.db2.gz GTDXIMXNFVSEIX-OWCLPIDISA-N 1 0 320.481 3.137 10 0 DGAERO O=C1[C@H]([NH2+][C@H]2CCCc3occc32)CCCN1c1ccccc1 ZINC000192866536 285004961 /nfs/dbraw/zinc/00/49/61/285004961.db2.gz NUIVEMHBJOTMQN-DLBZAZTESA-N 1 0 310.397 3.442 10 0 DGAERO Cc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Cl ZINC000248586742 285008504 /nfs/dbraw/zinc/00/85/04/285008504.db2.gz GFOWBAOFYKOVEY-ZFWWWQNUSA-N 1 0 323.868 3.273 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)C(F)(F)F ZINC000248591851 285008609 /nfs/dbraw/zinc/00/86/09/285008609.db2.gz ZWIUQBYFSZTJTA-RBSFLKMASA-N 1 0 301.352 3.301 10 0 DGAERO c1ccc2cc(C[N@@H+]3CCCN(c4cccnn4)CC3)ccc2c1 ZINC000106071544 252625877 /nfs/dbraw/zinc/62/58/77/252625877.db2.gz HRCKVZHXAJUETK-UHFFFAOYSA-N 1 0 318.424 3.342 10 0 DGAERO COc1cccc(C[C@H]([NH2+][C@H]2Cc3ccccc3[C@H]2O)C2CC2)c1 ZINC000245522278 207659831 /nfs/dbraw/zinc/65/98/31/207659831.db2.gz COAQTKBUGLXEBF-PCCBWWKXSA-N 1 0 323.436 3.264 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000248651385 285014575 /nfs/dbraw/zinc/01/45/75/285014575.db2.gz MXYDLCKAXBMBNO-QILLFSRXSA-N 1 0 309.425 3.181 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2cc[nH]c2c1 ZINC000248654667 285015126 /nfs/dbraw/zinc/01/51/26/285015126.db2.gz PQSXVVXLTAKIMW-KGLIPLIRSA-N 1 0 314.433 3.410 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000248644327 285013395 /nfs/dbraw/zinc/01/33/95/285013395.db2.gz FCXRJDBHUVWRKV-JQHSSLGASA-N 1 0 323.502 3.343 10 0 DGAERO CC(C)N1C[C@H](C)[C@H]([NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000248734420 285021017 /nfs/dbraw/zinc/02/10/17/285021017.db2.gz NGZSTVFLYOZETR-GXTWGEPZSA-N 1 0 305.447 3.221 10 0 DGAERO Cc1c([C@H](C)[NH2+]CCN2CCCC[C@H]2C)cnn1C(C)(C)C ZINC000248678830 285017500 /nfs/dbraw/zinc/01/75/00/285017500.db2.gz BMZWJCUHQQWHPH-CABCVRRESA-N 1 0 306.498 3.472 10 0 DGAERO C[C@@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccs1 ZINC000248766787 285024659 /nfs/dbraw/zinc/02/46/59/285024659.db2.gz ORXIPPMKSBPKIE-RBSFLKMASA-N 1 0 323.506 3.476 10 0 DGAERO C[C@H]1C[C@@H](C(=O)NCc2cccc(COC(C)(C)C)c2)CC[NH2+]1 ZINC000262445933 252769830 /nfs/dbraw/zinc/76/98/30/252769830.db2.gz UDBXMTJWZBJHOF-YOEHRIQHSA-N 1 0 318.461 3.006 10 0 DGAERO Cc1cccc2c1OCC[C@H]2NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000248884713 285036314 /nfs/dbraw/zinc/03/63/14/285036314.db2.gz HAJFXEPTHSSBAP-PNBKFKSVSA-N 1 0 316.445 3.196 10 0 DGAERO CC(C)([NH3+])C(=O)NC(CCc1ccccc1)CCc1ccccc1 ZINC000119674658 195014785 /nfs/dbraw/zinc/01/47/85/195014785.db2.gz ULEKSXKSPNIHDI-UHFFFAOYSA-N 1 0 324.468 3.474 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1cnccn1 ZINC000119672922 195015079 /nfs/dbraw/zinc/01/50/79/195015079.db2.gz DFWDSXCOTWQWOS-WMZOPIPTSA-N 1 0 310.445 3.182 10 0 DGAERO CCC1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CCCC1 ZINC000119912788 195060918 /nfs/dbraw/zinc/06/09/18/195060918.db2.gz ZASCNZQFPBVXGX-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO O[C@@H](CC1CCCC1)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000249068169 285051606 /nfs/dbraw/zinc/05/16/06/285051606.db2.gz KKSVDMDVQYDFCO-UXHICEINSA-N 1 0 317.473 3.466 10 0 DGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000249110865 285056824 /nfs/dbraw/zinc/05/68/24/285056824.db2.gz MTJFABKGGSJHDA-ZJPYXAASSA-N 1 0 300.446 3.032 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cncc(F)c1 ZINC000120001585 195078083 /nfs/dbraw/zinc/07/80/83/195078083.db2.gz IZWFESILVPIPMJ-FZMZJTMJSA-N 1 0 320.799 3.199 10 0 DGAERO O=C(Nc1cccc2[nH]ccc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333131844 252936874 /nfs/dbraw/zinc/93/68/74/252936874.db2.gz JQUGCYVOPZHEBP-UHFFFAOYSA-N 1 0 312.417 3.165 10 0 DGAERO COc1cc(CN2CC[C@H](C)[C@H](OC)C2)cc(Cl)c1OC ZINC000249211195 285063819 /nfs/dbraw/zinc/06/38/19/285063819.db2.gz SMYXNTYFGQSCQV-XHDPSFHLSA-N 1 0 313.825 3.214 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000333550208 252959451 /nfs/dbraw/zinc/95/94/51/252959451.db2.gz KDJNJEXPBXIERP-HPBDAGMYSA-N 1 0 315.461 3.092 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000333729172 252969327 /nfs/dbraw/zinc/96/93/27/252969327.db2.gz HMZPHCFECMQHTE-BGTYHANMSA-N 1 0 315.461 3.010 10 0 DGAERO CCOCCN1CC[N@H+](C[C@H](C)Cc2ccccc2)C[C@@H]1CC ZINC000249458042 285074891 /nfs/dbraw/zinc/07/48/91/285074891.db2.gz PYPVJMJVPDOYQC-QUCCMNQESA-N 1 0 318.505 3.298 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](CC[C@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443426 253116397 /nfs/dbraw/zinc/11/63/97/253116397.db2.gz OIUJFHYTLYJHDD-FUHWJXTLSA-N 1 0 317.477 3.358 10 0 DGAERO COCC[N@@H+]1CCN(C[C@H](C)c2cccc(Cl)c2)C[C@H]1C ZINC000249990874 285092359 /nfs/dbraw/zinc/09/23/59/285092359.db2.gz ZTEMBMZEQYUVBZ-LSDHHAIUSA-N 1 0 310.869 3.096 10 0 DGAERO CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](OC)C1)c1ccccc1 ZINC000251541943 285096511 /nfs/dbraw/zinc/09/65/11/285096511.db2.gz DRQUCYOZBMLYKC-BPQIPLTHSA-N 1 0 318.461 3.001 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000252656450 285103566 /nfs/dbraw/zinc/10/35/66/285103566.db2.gz GKPPSLXGFWNQCW-XHSDSOJGSA-N 1 0 310.482 3.009 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000338183595 253238761 /nfs/dbraw/zinc/23/87/61/253238761.db2.gz QABRGNKZPACGFN-WQLSENKSSA-N 1 0 315.804 3.027 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2CCC3)[C@H]1c1ccccc1 ZINC000252801514 285105517 /nfs/dbraw/zinc/10/55/17/285105517.db2.gz TZLDQJKFSHJPME-VQTJNVASSA-N 1 0 320.436 3.351 10 0 DGAERO CC[N@H+](CCCCCn1cc(C)cn1)CCc1nccs1 ZINC000159230723 197338202 /nfs/dbraw/zinc/33/82/02/197338202.db2.gz HCSCRIRRYACNRG-UHFFFAOYSA-N 1 0 306.479 3.383 10 0 DGAERO c1ccc([C@H](C[NH+]2CCCC2)Nc2ccnc3cccnc32)cc1 ZINC000338645305 253325821 /nfs/dbraw/zinc/32/58/21/253325821.db2.gz XVBCDLDEYWQOTL-IBGZPJMESA-N 1 0 318.424 3.301 10 0 DGAERO CSCCCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000158833494 197304152 /nfs/dbraw/zinc/30/41/52/197304152.db2.gz QPHVFIPFKCYXFB-UHFFFAOYSA-N 1 0 320.502 3.432 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000179202865 533074730 /nfs/dbraw/zinc/07/47/30/533074730.db2.gz MWFVBNRWLPMLDT-BVGQSLNGSA-N 1 0 312.413 3.474 10 0 DGAERO C[N@H+](CCNC(=O)C/C=C\c1ccc(F)cc1)C1CCCC1 ZINC000255035016 285121876 /nfs/dbraw/zinc/12/18/76/285121876.db2.gz UDGHLWHFYHUOHD-PLNGDYQASA-N 1 0 304.409 3.220 10 0 DGAERO CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000158684969 197293879 /nfs/dbraw/zinc/29/38/79/197293879.db2.gz JYJQSSJKHLDFOA-QAPCUYQASA-N 1 0 302.462 3.466 10 0 DGAERO c1cncc([C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C2CC2)c1 ZINC000340103197 253563248 /nfs/dbraw/zinc/56/32/48/253563248.db2.gz DWNMQAIDMGOUAR-IBGZPJMESA-N 1 0 308.429 3.318 10 0 DGAERO Clc1ccc(/C=C\C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000255238744 285139928 /nfs/dbraw/zinc/13/99/28/285139928.db2.gz CJPCOYGNUGJBKL-SWQCVOCJSA-N 1 0 316.836 3.357 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000340258369 253589484 /nfs/dbraw/zinc/58/94/84/253589484.db2.gz NBGHBGJBIITUNU-RYRKJORJSA-N 1 0 304.478 3.443 10 0 DGAERO COCc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)ccc1OC ZINC000158225114 197254792 /nfs/dbraw/zinc/25/47/92/197254792.db2.gz ZIEJDUHKEQPETI-QRTARXTBSA-N 1 0 307.434 3.043 10 0 DGAERO CC1(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000158110429 197245011 /nfs/dbraw/zinc/24/50/11/197245011.db2.gz SKXSIQXEEJHCOG-UHFFFAOYSA-N 1 0 301.434 3.024 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000255471892 285157326 /nfs/dbraw/zinc/15/73/26/285157326.db2.gz KMGKJPLNELZYIA-BALLFRDNSA-N 1 0 304.409 3.218 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)no1 ZINC000120299437 195138962 /nfs/dbraw/zinc/13/89/62/195138962.db2.gz YFNMCXWZTJHMSM-AWEZNQCLSA-N 1 0 315.417 3.471 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1 ZINC000255576544 285166239 /nfs/dbraw/zinc/16/62/39/285166239.db2.gz WHWAMASRDCYMBV-XFHJGTJQSA-N 1 0 300.446 3.197 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCCOC3)cs1 ZINC000342844107 254063753 /nfs/dbraw/zinc/06/37/53/254063753.db2.gz YCZVFQVFTTXZSK-MRXNPFEDSA-N 1 0 303.431 3.141 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@@H]2COc3ccccc3C2)ccc1F ZINC000153343534 533121910 /nfs/dbraw/zinc/12/19/10/533121910.db2.gz UQEWMLDMUGSWFY-DOMZBBRYSA-N 1 0 301.361 3.489 10 0 DGAERO O[C@H]1C[C@@H](c2ccc(F)cc2)[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000343376758 254133767 /nfs/dbraw/zinc/13/37/67/254133767.db2.gz UXCWXUNWWLCDDB-WMZOPIPTSA-N 1 0 311.360 3.010 10 0 DGAERO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000157328938 197180323 /nfs/dbraw/zinc/18/03/23/197180323.db2.gz ZHBIXYVJOLRRBD-CABCVRRESA-N 1 0 322.449 3.447 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000343769181 254186444 /nfs/dbraw/zinc/18/64/44/254186444.db2.gz SNKVCESBCNDOGE-HNNXBMFYSA-N 1 0 323.421 3.298 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000157210535 197169694 /nfs/dbraw/zinc/16/96/94/197169694.db2.gz VLKUCJHASUWOEH-ZDUSSCGKSA-N 1 0 311.857 3.383 10 0 DGAERO C[NH+]1CCC(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000156506190 197119465 /nfs/dbraw/zinc/11/94/65/197119465.db2.gz WNRSEABQJDKXAF-QGZVFWFLSA-N 1 0 300.446 3.158 10 0 DGAERO COCCCCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000156646868 197130735 /nfs/dbraw/zinc/13/07/35/197130735.db2.gz FNGXEGUGNKUXFE-UHFFFAOYSA-N 1 0 304.203 3.495 10 0 DGAERO Cc1ccc(N2CCC[N@H+](Cc3c(C)cccc3C)CC2)nn1 ZINC000154924604 197005671 /nfs/dbraw/zinc/00/56/71/197005671.db2.gz GYJXPLFFBUCJOS-UHFFFAOYSA-N 1 0 310.445 3.114 10 0 DGAERO Cc1cnccc1NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000120452160 195168493 /nfs/dbraw/zinc/16/84/93/195168493.db2.gz QEMYSPVFOYYVAQ-ZDUSSCGKSA-N 1 0 315.377 3.265 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(COC)c2)[C@H](C)C1 ZINC000120490683 195177774 /nfs/dbraw/zinc/17/77/74/195177774.db2.gz BJAZAFVXJVWHAX-PBHICJAKSA-N 1 0 319.449 3.027 10 0 DGAERO Cc1noc([C@@H](C)N2CC[NH+](CCCC3CCCC3)CC2)n1 ZINC000120500942 195179329 /nfs/dbraw/zinc/17/93/29/195179329.db2.gz GFURVEVZCDUWFH-CQSZACIVSA-N 1 0 306.454 3.027 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1C ZINC000120568248 195192234 /nfs/dbraw/zinc/19/22/34/195192234.db2.gz JZNPXCVKEGFSTE-INIZCTEOSA-N 1 0 316.445 3.044 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000120897262 195258886 /nfs/dbraw/zinc/25/88/86/195258886.db2.gz LDVQYUAMVPBDOL-RISCZKNCSA-N 1 0 320.820 3.498 10 0 DGAERO CCOc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1F ZINC000120860533 195252547 /nfs/dbraw/zinc/25/25/47/195252547.db2.gz SKPKXCBMHPKTAB-WFASDCNBSA-N 1 0 323.412 3.075 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)NCCC2=CCCC2)ccc1F ZINC000120917753 195264722 /nfs/dbraw/zinc/26/47/22/195264722.db2.gz BDTCXDDWHDUUNN-UHFFFAOYSA-N 1 0 319.424 3.187 10 0 DGAERO Cc1ccsc1C[N@H+]1CC[C@@H]2O[C@H](c3nnc(C)o3)CC[C@@H]21 ZINC000248024297 257110765 /nfs/dbraw/zinc/11/07/65/257110765.db2.gz NAOIZLFJJHBBIO-IHRRRGAJSA-N 1 0 319.430 3.243 10 0 DGAERO C[N@@H+]1[C@H](COCC2CC2)CCC12CCN(Cc1ccco1)CC2 ZINC000096207205 257133581 /nfs/dbraw/zinc/13/35/81/257133581.db2.gz OSJSRMLZCUCWNL-KRWDZBQOSA-N 1 0 318.461 3.135 10 0 DGAERO c1ccc(COC[C@]23CCC[C@H]2C[N@H+](Cc2ccncc2)C3)nc1 ZINC000247819255 257116781 /nfs/dbraw/zinc/11/67/81/257116781.db2.gz FXGIZQVKPNJGSJ-AZUAARDMSA-N 1 0 323.440 3.296 10 0 DGAERO Fc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC000247513382 257119078 /nfs/dbraw/zinc/11/90/78/257119078.db2.gz JBIHUZJBBNYOHO-RBUKOAKNSA-N 1 0 311.404 3.070 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccccc1Cl ZINC000128648094 285356095 /nfs/dbraw/zinc/35/60/95/285356095.db2.gz FQPTVMLUSDDBCL-IXDOHACOSA-N 1 0 319.836 3.343 10 0 DGAERO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000120967332 195273569 /nfs/dbraw/zinc/27/35/69/195273569.db2.gz CELJXHBJSHCTID-UHFFFAOYSA-N 1 0 314.454 3.277 10 0 DGAERO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](CC)CCc1nccs1 ZINC000121019386 195280897 /nfs/dbraw/zinc/28/08/97/195280897.db2.gz QLDXKWHGYXLICL-GJZGRUSLSA-N 1 0 323.506 3.187 10 0 DGAERO CCCn1cc(CN2CCC[N@H+](Cc3ccsc3)CC2)cn1 ZINC000121685165 195329431 /nfs/dbraw/zinc/32/94/31/195329431.db2.gz GTIRBUROQIYIHO-UHFFFAOYSA-N 1 0 318.490 3.063 10 0 DGAERO Cn1ccnc1CC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000121755483 195341172 /nfs/dbraw/zinc/34/11/72/195341172.db2.gz JPQUOTBXYTVNAN-UHFFFAOYSA-N 1 0 305.372 3.153 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(F)cc3C)C2)n1 ZINC000121975154 195384323 /nfs/dbraw/zinc/38/43/23/195384323.db2.gz BKXITCYONLBYFC-MRXNPFEDSA-N 1 0 316.424 3.255 10 0 DGAERO CNc1c(Cl)ncnc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000124939513 195695893 /nfs/dbraw/zinc/69/58/93/195695893.db2.gz WTUIUTFEDPTVSW-CYBMUJFWSA-N 1 0 323.872 3.017 10 0 DGAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(Br)s1 ZINC000133151905 533356545 /nfs/dbraw/zinc/35/65/45/533356545.db2.gz HOLFYPYCYXCRSU-SECBINFHSA-N 1 0 304.253 3.324 10 0 DGAERO C[C@@H]([NH2+]Cc1ccsc1Br)[C@@H]1CCCOC1 ZINC000309740421 533464237 /nfs/dbraw/zinc/46/42/37/533464237.db2.gz DFIYISPOQXVUDH-MWLCHTKSSA-N 1 0 304.253 3.415 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000158974179 533467041 /nfs/dbraw/zinc/46/70/41/533467041.db2.gz LWJUBMBKXNOURB-CQSZACIVSA-N 1 0 313.397 3.360 10 0 DGAERO C[C@H]1C[C@H]([NH3+])CCN1c1c(F)cc(F)cc1Br ZINC000049712668 134758144 /nfs/dbraw/zinc/75/81/44/134758144.db2.gz ZMGHZNBOMKFSIJ-IONNQARKSA-N 1 0 305.166 3.043 10 0 DGAERO CC(C)[NH2+]C[C@@H]1CCCN(c2ncccc2Br)C1 ZINC000053702081 134770037 /nfs/dbraw/zinc/77/00/37/134770037.db2.gz NFLHMQFYCSXQDV-LBPRGKRZSA-N 1 0 312.255 3.059 10 0 DGAERO c1ccc(OCCCC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000357645736 285814454 /nfs/dbraw/zinc/81/44/54/285814454.db2.gz CNGAAUAUFPAQJI-UHFFFAOYSA-N 1 0 311.429 3.063 10 0 DGAERO COc1ccccc1[C@H](C)N[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000006589798 400093883 /nfs/dbraw/zinc/09/38/83/400093883.db2.gz ZHABTSUWTLEGKA-QWHCGFSZSA-N 1 0 323.396 3.344 10 0 DGAERO Cc1ccccc1C[C@H]1C[NH2+]CC[C@H]1NC(=O)OC(C)(C)C ZINC000006780201 400094645 /nfs/dbraw/zinc/09/46/45/400094645.db2.gz YRKIHTGSMQKMTD-JKSUJKDBSA-N 1 0 304.434 3.040 10 0 DGAERO C[C@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[NH2+]1 ZINC000303080924 400104665 /nfs/dbraw/zinc/10/46/65/400104665.db2.gz NESLSWULNNDLAA-LJQANCHMSA-N 1 0 310.397 3.346 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000600447963 400080101 /nfs/dbraw/zinc/08/01/01/400080101.db2.gz DMIPWUCIXYROHG-CYBMUJFWSA-N 1 0 319.836 3.426 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1COCCC[N@@H+]1C ZINC000616600034 400181752 /nfs/dbraw/zinc/18/17/52/400181752.db2.gz YNVYELNKHCKGGW-MRXNPFEDSA-N 1 0 320.433 3.451 10 0 DGAERO c1ccc(C[N@@H+]2CCOC[C@@H](c3cccc4nnccc43)C2)cc1 ZINC000616597186 400181867 /nfs/dbraw/zinc/18/18/67/400181867.db2.gz HOOFMCBGBRGHJL-KRWDZBQOSA-N 1 0 319.408 3.246 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2COCCC[N@@H+]2C)cc1 ZINC000616600032 400182295 /nfs/dbraw/zinc/18/22/95/400182295.db2.gz YKYFZQGNFPQLFT-MRXNPFEDSA-N 1 0 320.433 3.451 10 0 DGAERO CC1CCC(C[N@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)CC1 ZINC000328638995 400183756 /nfs/dbraw/zinc/18/37/56/400183756.db2.gz PHYRPRFTEABYNC-TVPLGVNVSA-N 1 0 316.493 3.247 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCCN2CC[NH3+])c1 ZINC000616608249 400183967 /nfs/dbraw/zinc/18/39/67/400183967.db2.gz NXEYQHFWXOYALW-MRXNPFEDSA-N 1 0 319.449 3.154 10 0 DGAERO CCN(CC)C(=O)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000092592897 400185120 /nfs/dbraw/zinc/18/51/20/400185120.db2.gz QLFZHWALGAMCGG-RTBURBONSA-N 1 0 314.473 3.371 10 0 DGAERO Cc1c(C)c(N2CC[NH+](Cc3ccccc3)CC2)nnc1Cl ZINC000306713405 400125563 /nfs/dbraw/zinc/12/55/63/400125563.db2.gz PNXNAHPOEBJEGC-UHFFFAOYSA-N 1 0 316.836 3.069 10 0 DGAERO Clc1ccc(CSCCNC2=[NH+]CCCN2)c(Cl)c1 ZINC000091518279 400125804 /nfs/dbraw/zinc/12/58/04/400125804.db2.gz NCFCQUTUXWVTMX-UHFFFAOYSA-N 1 0 318.273 3.166 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000311847356 400135768 /nfs/dbraw/zinc/13/57/68/400135768.db2.gz NUOUJLNAIKIXNR-IRUJWGPZSA-N 1 0 304.217 3.121 10 0 DGAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2cc(Cl)ccc12 ZINC000588921245 400243974 /nfs/dbraw/zinc/24/39/74/400243974.db2.gz ADTPTVLMHBOEDW-QWHCGFSZSA-N 1 0 317.820 3.178 10 0 DGAERO C[C@H](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000379603147 400256970 /nfs/dbraw/zinc/25/69/70/400256970.db2.gz FCJZBHSSVGJICE-NRSFXHEJSA-N 1 0 300.446 3.059 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000379642334 400257064 /nfs/dbraw/zinc/25/70/64/400257064.db2.gz VWPPTDLRRZSOAQ-FTWQHDNSSA-N 1 0 312.457 3.202 10 0 DGAERO CCOC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000616636347 400189510 /nfs/dbraw/zinc/18/95/10/400189510.db2.gz JXRFOEWXPNYMDB-LJQANCHMSA-N 1 0 324.424 3.010 10 0 DGAERO OCCc1ccc([C@@H]2COCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000616648652 400192990 /nfs/dbraw/zinc/19/29/90/400192990.db2.gz UFSXEQMNLSCELJ-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2C[NH2+]CCCO2)cc1 ZINC000616652334 400194247 /nfs/dbraw/zinc/19/42/47/400194247.db2.gz KKOIIYWVQUUJDA-HNNXBMFYSA-N 1 0 306.406 3.109 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2COCC[N@H+](C)C2)cc1 ZINC000616660971 400195255 /nfs/dbraw/zinc/19/52/55/400195255.db2.gz YMYQJCAPGGAYSM-OAHLLOKOSA-N 1 0 320.433 3.104 10 0 DGAERO CC(=O)Nc1ccc([C@H]2CCc3ccccc3N2CC[NH3+])cc1 ZINC000616668224 400196458 /nfs/dbraw/zinc/19/64/58/400196458.db2.gz HNYXZHDLKLGUMA-LJQANCHMSA-N 1 0 309.413 3.098 10 0 DGAERO C[C@H]1C[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000588178533 400197970 /nfs/dbraw/zinc/19/79/70/400197970.db2.gz XUVDTQHSMIWRTM-GXFFZTMASA-N 1 0 308.219 3.471 10 0 DGAERO CCOC(=O)c1ccccc1[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616669996 400198018 /nfs/dbraw/zinc/19/80/18/400198018.db2.gz VKAIKZFDMBFPOH-LJQANCHMSA-N 1 0 324.424 3.316 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1nccc2ccccc21 ZINC000616680915 400201778 /nfs/dbraw/zinc/20/17/78/400201778.db2.gz RDAALSLXNZRSEX-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1cc2ccccc2cn1 ZINC000616679845 400201969 /nfs/dbraw/zinc/20/19/69/400201969.db2.gz ZBJNWAWCVDIAFB-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1nccc2ccccc21 ZINC000616683795 400203294 /nfs/dbraw/zinc/20/32/94/400203294.db2.gz UIPMQQSAKNMGQO-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cccc3ccncc32)Nc2ccccc21 ZINC000616691501 400205452 /nfs/dbraw/zinc/20/54/52/400205452.db2.gz CBJVTYPBSVEACH-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cnc2ccccc2c1 ZINC000616691050 400205704 /nfs/dbraw/zinc/20/57/04/400205704.db2.gz CXZFACGTMUAFID-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccc3ccncc3c2)Nc2ccccc21 ZINC000616693754 400206518 /nfs/dbraw/zinc/20/65/18/400206518.db2.gz YBYIZUBRQPHILB-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388202871 400266451 /nfs/dbraw/zinc/26/64/51/400266451.db2.gz SMDKDHOKWJMSSL-FCGDIQPGSA-N 1 0 312.457 3.156 10 0 DGAERO OCC1([NH2+]Cc2ccsc2Br)CCCCC1 ZINC000388987445 400267813 /nfs/dbraw/zinc/26/78/13/400267813.db2.gz SMDURNJDXCQZLC-UHFFFAOYSA-N 1 0 304.253 3.295 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+]Cc1nn(C)c2ccccc12 ZINC000390645123 400272137 /nfs/dbraw/zinc/27/21/37/400272137.db2.gz PBLDAPAPWOLNGX-OAHLLOKOSA-N 1 0 309.413 3.268 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1ccsc1Br ZINC000393381760 400278603 /nfs/dbraw/zinc/27/86/03/400278603.db2.gz RNQUZHHGQQDEGX-UHFFFAOYSA-N 1 0 306.269 3.399 10 0 DGAERO Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)nc(-c2ccncc2)n1 ZINC000068874813 400296566 /nfs/dbraw/zinc/29/65/66/400296566.db2.gz CKFDCDNCDFDGME-INIZCTEOSA-N 1 0 313.449 3.235 10 0 DGAERO CC(C)([NH3+])Cc1cc(Cl)ccc1I ZINC000405818275 400299178 /nfs/dbraw/zinc/29/91/78/400299178.db2.gz VZQCADRSQXRXEM-UHFFFAOYSA-N 1 0 309.578 3.224 10 0 DGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1ccccc1 ZINC000068930134 400300792 /nfs/dbraw/zinc/30/07/92/400300792.db2.gz HZUQQDOHOJNQRK-UHFFFAOYSA-N 1 0 310.441 3.387 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H](C)c1ccccc1F ZINC000102637801 400301880 /nfs/dbraw/zinc/30/18/80/400301880.db2.gz MFJWQGBCXIOCPZ-CABCVRRESA-N 1 0 308.441 3.412 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1ccc(F)c(F)c1 ZINC000102687680 400303153 /nfs/dbraw/zinc/30/31/53/400303153.db2.gz FPHQJLSSUSDLED-GFCCVEGCSA-N 1 0 310.388 3.312 10 0 DGAERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000029577338 400311030 /nfs/dbraw/zinc/31/10/30/400311030.db2.gz HUKYYUSLRLVQHY-QWRGUYRKSA-N 1 0 313.239 3.410 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c(Br)c1 ZINC000384932145 400260896 /nfs/dbraw/zinc/26/08/96/400260896.db2.gz QEMCUUFDODTEBJ-GPCCPHFNSA-N 1 0 314.223 3.113 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c(Br)c1 ZINC000384932161 400261135 /nfs/dbraw/zinc/26/11/35/400261135.db2.gz QEMCUUFDODTEBJ-IMSIIYSGSA-N 1 0 314.223 3.113 10 0 DGAERO CCCCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000072482427 400382383 /nfs/dbraw/zinc/38/23/83/400382383.db2.gz AGWBUEDAWQSUSX-UHFFFAOYSA-N 1 0 303.450 3.224 10 0 DGAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccccc1Br ZINC000037618514 400394880 /nfs/dbraw/zinc/39/48/80/400394880.db2.gz ZSSYAFDONCUNNG-NSHDSACASA-N 1 0 313.239 3.014 10 0 DGAERO COC(=O)c1cccc([C@H](SCC[NH3+])c2ccccc2)c1 ZINC000036430795 400390298 /nfs/dbraw/zinc/39/02/98/400390298.db2.gz RYSQTPOESSUTHP-MRXNPFEDSA-N 1 0 301.411 3.255 10 0 DGAERO Cn1cc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)cn1 ZINC000069786529 400343993 /nfs/dbraw/zinc/34/39/93/400343993.db2.gz SCTJHQIWTUBDGG-UHFFFAOYSA-N 1 0 321.424 3.331 10 0 DGAERO CCC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000590042906 400349341 /nfs/dbraw/zinc/34/93/41/400349341.db2.gz CUUXYQVPZSIGCW-ROUUACIJSA-N 1 0 302.462 3.388 10 0 DGAERO [NH3+]Cc1ccc(-c2ccc(I)cc2)s1 ZINC000036927876 400392409 /nfs/dbraw/zinc/39/24/09/400392409.db2.gz ORRPHVFLLLWZNF-UHFFFAOYSA-N 1 0 315.179 3.478 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000070317683 400353213 /nfs/dbraw/zinc/35/32/13/400353213.db2.gz FZGYSDDQDJRLQD-BZNIZROVSA-N 1 0 306.406 3.220 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C(C)(C)C)c1 ZINC000112448026 400373569 /nfs/dbraw/zinc/37/35/69/400373569.db2.gz WZVRWEFYGWBDQT-CQSZACIVSA-N 1 0 305.466 3.372 10 0 DGAERO C[NH+](C)CCCNc1ccc([N+](=O)[O-])c2c(Cl)ccnc12 ZINC000038819701 400396433 /nfs/dbraw/zinc/39/64/33/400396433.db2.gz GLVSVSYOOPWLLV-UHFFFAOYSA-N 1 0 308.769 3.160 10 0 DGAERO COC1=Nc2ccc(Cl)cc2C(c2ccccc2)[N+](=O)C1 ZINC000038885751 400397290 /nfs/dbraw/zinc/39/72/90/400397290.db2.gz MTNWQRGOHOXCFV-UHFFFAOYSA-N 1 0 300.745 3.378 10 0 DGAERO O=C1NCc2ccccc2N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000039381939 400397703 /nfs/dbraw/zinc/39/77/03/400397703.db2.gz LUFSDWUPJRZMLM-UHFFFAOYSA-N 1 0 321.424 3.381 10 0 DGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000072697465 400398867 /nfs/dbraw/zinc/39/88/67/400398867.db2.gz LFSNZAPCYPHQGT-FRRDWIJNSA-N 1 0 306.372 3.050 10 0 DGAERO CCOc1ccc(C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc1 ZINC000117720035 400421314 /nfs/dbraw/zinc/42/13/14/400421314.db2.gz WQTPDBJSZIEXFN-INIZCTEOSA-N 1 0 310.397 3.415 10 0 DGAERO C[C@@H](O)C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000119718078 400438490 /nfs/dbraw/zinc/43/84/90/400438490.db2.gz MKVMPEHFTAFBCE-LLVKDONJSA-N 1 0 318.244 3.465 10 0 DGAERO COc1ccccc1N1CCC([NH2+]Cc2cccnc2C)CC1 ZINC000590882216 400453335 /nfs/dbraw/zinc/45/33/35/400453335.db2.gz QQWSHUDORINCNZ-UHFFFAOYSA-N 1 0 311.429 3.157 10 0 DGAERO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccccn2)CC1 ZINC000590930005 400462606 /nfs/dbraw/zinc/46/26/06/400462606.db2.gz MMPQVCKDFMBSPK-INIZCTEOSA-N 1 0 307.441 3.497 10 0 DGAERO C[C@@H]1C[C@@H]([NH3+])CCN1CCOc1c(Cl)cccc1Cl ZINC000124500216 400476335 /nfs/dbraw/zinc/47/63/35/400476335.db2.gz KTNQZULVPOSALG-MNOVXSKESA-N 1 0 303.233 3.184 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)CSC(C)(C)C)c1cccc(F)c1 ZINC000074198315 400496330 /nfs/dbraw/zinc/49/63/30/400496330.db2.gz HNCYZQWSLCHITO-AWEZNQCLSA-N 1 0 312.454 3.076 10 0 DGAERO C[C@]1(Cc2cc(Br)c(Br)o2)CCC[NH2+]1 ZINC000134346507 400576858 /nfs/dbraw/zinc/57/68/58/400576858.db2.gz UDVSBMUBQJHQQJ-SNVBAGLBSA-N 1 0 323.028 3.489 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000074498911 400515998 /nfs/dbraw/zinc/51/59/98/400515998.db2.gz XQOYSTNLXRZQSR-FUHWJXTLSA-N 1 0 317.477 3.052 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000128910671 400519027 /nfs/dbraw/zinc/51/90/27/400519027.db2.gz IXTYTKXZBGQCMN-YMVOSSCXSA-N 1 0 306.494 3.295 10 0 DGAERO Cc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)sc1C ZINC000132177233 400557441 /nfs/dbraw/zinc/55/74/41/400557441.db2.gz QYTNYVQIVXORAJ-MRXNPFEDSA-N 1 0 316.470 3.268 10 0 DGAERO c1cncc([C@H]([NH2+]CCCN2CCOCC2)C2CCCCC2)c1 ZINC000075741740 400610065 /nfs/dbraw/zinc/61/00/65/400610065.db2.gz OCBHMOGAECDFGH-LJQANCHMSA-N 1 0 317.477 3.015 10 0 DGAERO CCC[C@@H](C[NH2+]CCO)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000145667935 400646414 /nfs/dbraw/zinc/64/64/14/400646414.db2.gz FMDMIKBESSTJSC-NSHDSACASA-N 1 0 304.217 3.174 10 0 DGAERO c1c(C[NH2+]C2CCCC2)nnn1CCSC1CCCCC1 ZINC000603242641 400659572 /nfs/dbraw/zinc/65/95/72/400659572.db2.gz OEMOUJJULDXTLU-UHFFFAOYSA-N 1 0 308.495 3.376 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000077001407 400685065 /nfs/dbraw/zinc/68/50/65/400685065.db2.gz KEHGOPJPIIZKPH-QZTJIDSGSA-N 1 0 302.462 3.370 10 0 DGAERO Cc1cc(N[C@@H]2CCCN(c3ncccn3)C2)c2ccccc2[nH+]1 ZINC000052427019 400729747 /nfs/dbraw/zinc/72/97/47/400729747.db2.gz HJAIZEUTJSJIBW-OAHLLOKOSA-N 1 0 319.412 3.414 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(Cl)s2)C1 ZINC000052526448 400736956 /nfs/dbraw/zinc/73/69/56/400736956.db2.gz VHLJYXSZMYKXMA-WDEREUQCSA-N 1 0 315.870 3.246 10 0 DGAERO [NH3+][C@@H](c1ncc(Br)cc1Br)C1CCC1 ZINC000161484091 400740154 /nfs/dbraw/zinc/74/01/54/400740154.db2.gz XIQSIYXWPOQGKO-SECBINFHSA-N 1 0 320.028 3.407 10 0 DGAERO CS[C@@H](C)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000162708669 400745011 /nfs/dbraw/zinc/74/50/11/400745011.db2.gz BBFJLQFAXGMSBC-UWVGGRQHSA-N 1 0 324.273 3.074 10 0 DGAERO CC[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1nccs1 ZINC000162519337 400745659 /nfs/dbraw/zinc/74/56/59/400745659.db2.gz YHNGMZFMAZXXEX-CQSZACIVSA-N 1 0 324.494 3.206 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307695 400817647 /nfs/dbraw/zinc/81/76/47/400817647.db2.gz CAUJNGXZLIVIDK-NSHDSACASA-N 1 0 300.855 3.140 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2CCc2ccccc2)C1 ZINC000170856180 400777411 /nfs/dbraw/zinc/77/74/11/400777411.db2.gz KEKWHNYJWBKERR-IBGZPJMESA-N 1 0 322.452 3.248 10 0 DGAERO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170865340 400778112 /nfs/dbraw/zinc/77/81/12/400778112.db2.gz LVIFJGYVGUXDLF-CVEARBPZSA-N 1 0 318.461 3.048 10 0 DGAERO CC[C@H](C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000172290913 400819413 /nfs/dbraw/zinc/81/94/13/400819413.db2.gz JBUHWVHEAWYTJM-CGTJXYLNSA-N 1 0 302.462 3.417 10 0 DGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCC2CC2)C1 ZINC000605606994 400880329 /nfs/dbraw/zinc/88/03/29/400880329.db2.gz XKWDKHVPZZZHCT-HNNXBMFYSA-N 1 0 309.498 3.376 10 0 DGAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccccc1Br ZINC000054685602 400835149 /nfs/dbraw/zinc/83/51/49/400835149.db2.gz SVQRXVUBJQPARW-CABCVRRESA-N 1 0 306.203 3.053 10 0 DGAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccc(Br)cc1 ZINC000054686274 400835290 /nfs/dbraw/zinc/83/52/90/400835290.db2.gz ZJTALAYYEJWHLM-GJZGRUSLSA-N 1 0 306.203 3.053 10 0 DGAERO COC(=O)CC[C@H]([NH2+][C@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000619426135 400845065 /nfs/dbraw/zinc/84/50/65/400845065.db2.gz QAFAREXLWIKSQX-BBWFWOEESA-N 1 0 305.418 3.228 10 0 DGAERO C(c1noc2c1CCCC2)[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000173842979 400849980 /nfs/dbraw/zinc/84/99/80/400849980.db2.gz BOZLXXKEGANVJQ-OAHLLOKOSA-N 1 0 304.434 3.477 10 0 DGAERO Cc1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000175768316 400868515 /nfs/dbraw/zinc/86/85/15/400868515.db2.gz PBLXEDHMOHYXFL-CQSZACIVSA-N 1 0 303.431 3.481 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000606638881 400937085 /nfs/dbraw/zinc/93/70/85/400937085.db2.gz DXIVJNTZIKTSRK-IAGOWNOFSA-N 1 0 317.477 3.272 10 0 DGAERO CC[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1nccs1 ZINC000080269108 400937252 /nfs/dbraw/zinc/93/72/52/400937252.db2.gz XIJKCAVAECBUMV-KBPBESRZSA-N 1 0 303.431 3.191 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000606638882 400937377 /nfs/dbraw/zinc/93/73/77/400937377.db2.gz DXIVJNTZIKTSRK-IRXDYDNUSA-N 1 0 317.477 3.272 10 0 DGAERO c1cncc([C@H]([NH2+]CCCO[C@H]2CCOC2)C2CCCCC2)c1 ZINC000606432915 400909573 /nfs/dbraw/zinc/90/95/73/400909573.db2.gz XOOXQFPTYBHJFH-RBUKOAKNSA-N 1 0 318.461 3.488 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000606500709 400922756 /nfs/dbraw/zinc/92/27/56/400922756.db2.gz CQDMYOFXFHNDJB-CVEARBPZSA-N 1 0 305.466 3.128 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000606986280 400996542 /nfs/dbraw/zinc/99/65/42/400996542.db2.gz RXCAHIHKACYOSO-IRXDYDNUSA-N 1 0 317.477 3.194 10 0 DGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)s1 ZINC000227720564 400963603 /nfs/dbraw/zinc/96/36/03/400963603.db2.gz NVIZTFQLBVOSKR-LBPRGKRZSA-N 1 0 306.818 3.100 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000247380179 401053081 /nfs/dbraw/zinc/05/30/81/401053081.db2.gz LJGSXAMALNWGHE-YCPHGPKFSA-N 1 0 324.415 3.161 10 0 DGAERO CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000248163277 401067779 /nfs/dbraw/zinc/06/77/79/401067779.db2.gz MWACLVZKWXUDNV-HZPDHXFCSA-N 1 0 313.388 3.107 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621107337 401076841 /nfs/dbraw/zinc/07/68/41/401076841.db2.gz CCBLHBJZAZMYPI-MAUKXSAKSA-N 1 0 322.493 3.010 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000246175218 401022161 /nfs/dbraw/zinc/02/21/61/401022161.db2.gz YOCWZXCUCALHLH-UHOFOFEASA-N 1 0 321.852 3.185 10 0 DGAERO c1ccc(CC[C@H]2CCC[N@H+]2CCOC2CCOCC2)cc1 ZINC000625088742 401028634 /nfs/dbraw/zinc/02/86/34/401028634.db2.gz FMKXCKYIVDONNZ-GOSISDBHSA-N 1 0 303.446 3.279 10 0 DGAERO c1ccc(C[C@@H]2CCCC[N@H+]2CCOC2CCOCC2)cc1 ZINC000625130942 401037223 /nfs/dbraw/zinc/03/72/23/401037223.db2.gz KVTLGCPMMFJLPC-SFHVURJKSA-N 1 0 303.446 3.279 10 0 DGAERO CC(=O)N1CC[C@H](C[N@H+](C)CCCCc2cccc(Cl)c2)C1 ZINC000621270060 401145700 /nfs/dbraw/zinc/14/57/00/401145700.db2.gz NITYXRWZCPXQNA-QGZVFWFLSA-N 1 0 322.880 3.463 10 0 DGAERO O=C(N[C@H](Cc1ccccc1)C1CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262455399 401116777 /nfs/dbraw/zinc/11/67/77/401116777.db2.gz HTQYJFWOXZUQLE-HCXYKTFWSA-N 1 0 312.457 3.045 10 0 DGAERO O=C(N[C@H](Cc1ccccc1)C1CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262455401 401116792 /nfs/dbraw/zinc/11/67/92/401116792.db2.gz HTQYJFWOXZUQLE-MANSERQUSA-N 1 0 312.457 3.045 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C(F)(F)F ZINC000358221564 286001444 /nfs/dbraw/zinc/00/14/44/286001444.db2.gz MLYOXZJTMSKLJS-UWVGGRQHSA-N 1 0 314.134 3.494 10 0 DGAERO Cc1ccc(CNC(=O)C[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000607752640 401117947 /nfs/dbraw/zinc/11/79/47/401117947.db2.gz YGBAVWGNIWCSDW-UHFFFAOYSA-N 1 0 300.446 3.267 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000262619340 401118822 /nfs/dbraw/zinc/11/88/22/401118822.db2.gz IROLSHRIUQCVTC-RYRKJORJSA-N 1 0 300.446 3.130 10 0 DGAERO COc1cc(C)c(C[NH2+]C[C@H]2CCO[C@@H]2C(C)C)cc1OC ZINC000083474061 401118819 /nfs/dbraw/zinc/11/88/19/401118819.db2.gz GVOBEOQOIUIJJN-RDTXWAMCSA-N 1 0 307.434 3.163 10 0 DGAERO CCOC(C[C@H](C[NH3+])c1ccc(Br)cc1)OCC ZINC000059570517 401094043 /nfs/dbraw/zinc/09/40/43/401094043.db2.gz BHIITUNFIILVJK-GFCCVEGCSA-N 1 0 316.239 3.281 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000607924579 401151152 /nfs/dbraw/zinc/15/11/52/401151152.db2.gz UZBJNSIHUZMESI-UHFFFAOYSA-N 1 0 318.461 3.326 10 0 DGAERO CC1=CCN(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000358236518 286007123 /nfs/dbraw/zinc/00/71/23/286007123.db2.gz YZNGECDJAAGKGN-UYAOXDASSA-N 1 0 314.473 3.396 10 0 DGAERO Cc1ccc(-c2noc(CN3CCC[C@@H]([NH2+]C(C)C)C3)n2)cc1 ZINC000594739504 401165683 /nfs/dbraw/zinc/16/56/83/401165683.db2.gz UHQSFEOZJOHLLK-MRXNPFEDSA-N 1 0 314.433 3.007 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+]CC[C@H]2COc3ccccc3O2)cn1 ZINC000358270560 286017020 /nfs/dbraw/zinc/01/70/20/286017020.db2.gz WKNQVIFVSGNRGV-HOCLYGCPSA-N 1 0 315.417 3.345 10 0 DGAERO COc1nsc(C[NH2+][C@]23C[C@H]2CCCC3)c1Br ZINC000630072614 401177170 /nfs/dbraw/zinc/17/71/70/401177170.db2.gz HINSGVOCAAUTKY-PRHODGIISA-N 1 0 317.252 3.337 10 0 DGAERO COc1nsc(C[NH2+][C@H](C(C)C)C2CC2)c1Br ZINC000630073677 401176104 /nfs/dbraw/zinc/17/61/04/401176104.db2.gz AGEKZCQJLVYEAI-LLVKDONJSA-N 1 0 319.268 3.438 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc(C(F)(F)F)ccc1F ZINC000062657742 401176543 /nfs/dbraw/zinc/17/65/43/401176543.db2.gz HEUHYEYEKYDVEC-SECBINFHSA-N 1 0 304.287 3.173 10 0 DGAERO c1cc(C[NH2+]CC[C@H]2CCCCO2)n(CCc2ccccc2)n1 ZINC000621343822 401176877 /nfs/dbraw/zinc/17/68/77/401176877.db2.gz RZLYLIUHXWBKQN-LJQANCHMSA-N 1 0 313.445 3.175 10 0 DGAERO Oc1ccc(Br)c(C[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000621378302 401192420 /nfs/dbraw/zinc/19/24/20/401192420.db2.gz SWVLXONBBZWUKN-VIFPVBQESA-N 1 0 306.150 3.290 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC000621387799 401195733 /nfs/dbraw/zinc/19/57/33/401195733.db2.gz OXUOFFSWUFZTHD-CEXWTWQISA-N 1 0 300.446 3.313 10 0 DGAERO c1cnnc(Oc2ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000621388633 401195868 /nfs/dbraw/zinc/19/58/68/401195868.db2.gz DFXVVWAFZUJVNL-CVEARBPZSA-N 1 0 310.401 3.308 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@H](N3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000625780105 401215203 /nfs/dbraw/zinc/21/52/03/401215203.db2.gz XWVRGQRQCUUFMU-KSZLIROESA-N 1 0 302.487 3.231 10 0 DGAERO CCC1([NH+](C)C)CCN(c2ncccc2Br)CC1 ZINC000630094397 401182652 /nfs/dbraw/zinc/18/26/52/401182652.db2.gz HNTNUBOKLHXEAI-UHFFFAOYSA-N 1 0 312.255 3.155 10 0 DGAERO CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000065517373 401269411 /nfs/dbraw/zinc/26/94/11/401269411.db2.gz UZAORQCLKYAIFF-SFHVURJKSA-N 1 0 315.461 3.235 10 0 DGAERO C(C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1)OCC1CC1 ZINC000625997749 401275624 /nfs/dbraw/zinc/27/56/24/401275624.db2.gz NKFGLMOBLSNISO-UHFFFAOYSA-N 1 0 319.449 3.018 10 0 DGAERO Cc1cc(CN2CC[NH+](Cc3c(C)cc(C)cc3C)CC2)no1 ZINC000064950435 401254993 /nfs/dbraw/zinc/25/49/93/401254993.db2.gz PJCVZRZZNVWKAU-UHFFFAOYSA-N 1 0 313.445 3.226 10 0 DGAERO CCc1ccc(C(=O)CCC(=O)NCC[N@@H+](C)[C@@H](C)CC)cc1 ZINC000066138358 401292840 /nfs/dbraw/zinc/29/28/40/401292840.db2.gz DCVQLJCKYFSESQ-HNNXBMFYSA-N 1 0 318.461 3.058 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)c2ccccc21 ZINC000621753317 401294568 /nfs/dbraw/zinc/29/45/68/401294568.db2.gz MDZRKUGHSJEXSN-HKUYNNGSSA-N 1 0 318.461 3.261 10 0 DGAERO c1c(-c2cccc(NCc3ccccc3)c2)nnn1[C@H]1CC[NH2+]C1 ZINC000630595801 401294981 /nfs/dbraw/zinc/29/49/81/401294981.db2.gz ITOHSNXOXXEMLA-SFHVURJKSA-N 1 0 319.412 3.092 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)c2ccccc21 ZINC000621761774 401296926 /nfs/dbraw/zinc/29/69/26/401296926.db2.gz MZAKDPOTBXARMJ-CYBMUJFWSA-N 1 0 312.335 3.416 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000626114155 401303651 /nfs/dbraw/zinc/30/36/51/401303651.db2.gz VJESQBZZIJNGEZ-CQSZACIVSA-N 1 0 314.429 3.482 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2[C@@H]3c4ccccc4C[C@@H]32)n(CC2CCC2)n1 ZINC000631090005 401390316 /nfs/dbraw/zinc/39/03/16/401390316.db2.gz DVAZFWGVFKABEH-HSALFYBXSA-N 1 0 307.441 3.359 10 0 DGAERO CC(C)CC1(C[NH2+][C@H]2CCCS(=O)(=O)CC2)CCCC1 ZINC000634968659 401391031 /nfs/dbraw/zinc/39/10/31/401391031.db2.gz UIWXTUGGMCAAJZ-HNNXBMFYSA-N 1 0 301.496 3.150 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1c(F)cccc1Cl ZINC000634967438 401391341 /nfs/dbraw/zinc/39/13/41/401391341.db2.gz OMGYNTWWHDSIQP-QWRGUYRKSA-N 1 0 319.829 3.097 10 0 DGAERO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634976098 401393632 /nfs/dbraw/zinc/39/36/32/401393632.db2.gz NPTJTNWDLGFXAI-OAGGEKHMSA-N 1 0 301.496 3.148 10 0 DGAERO c1cnc2cc(CNc3cc(N4CCCC4)ncn3)ccc2c1 ZINC000631453106 401473279 /nfs/dbraw/zinc/47/32/79/401473279.db2.gz WQEDESYZCZZYRW-UHFFFAOYSA-N 1 0 305.385 3.237 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)n(CC2CCC2)n1 ZINC000631177824 401416884 /nfs/dbraw/zinc/41/68/84/401416884.db2.gz HARQDCGMGOGEJO-IBGZPJMESA-N 1 0 324.472 3.047 10 0 DGAERO O[C@@H](CC[NH2+]Cc1ccc(OCc2ccccc2)cc1)C(F)F ZINC000631220043 401429548 /nfs/dbraw/zinc/42/95/48/401429548.db2.gz SPFPSDKYVGUQFZ-KRWDZBQOSA-N 1 0 321.367 3.371 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]Cc3cccc4c3CCOC4)cc2)c1 ZINC000631245497 401436081 /nfs/dbraw/zinc/43/60/81/401436081.db2.gz QJVUJVDYDXJPLU-UHFFFAOYSA-N 1 0 319.408 3.235 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@@H](C)CC2CCC2)cs1)C1CC1 ZINC000631252488 401438266 /nfs/dbraw/zinc/43/82/66/401438266.db2.gz YKMBVLMGPGXBGJ-NSHDSACASA-N 1 0 307.463 3.327 10 0 DGAERO c1cnn(-c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)cc2)c1 ZINC000631255276 401439035 /nfs/dbraw/zinc/43/90/35/401439035.db2.gz UAMURHFHVMXKJI-OALUTQOASA-N 1 0 311.429 3.310 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)o2)n[nH]1 ZINC000631256679 401439253 /nfs/dbraw/zinc/43/92/53/401439253.db2.gz VWRAUSSVZUECHU-SJORKVTESA-N 1 0 301.390 3.107 10 0 DGAERO c1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000631654368 401525811 /nfs/dbraw/zinc/52/58/11/401525811.db2.gz YVXKZOSSPWUYJQ-RLLQIKCJSA-N 1 0 308.425 3.385 10 0 DGAERO O[C@H](CC[NH2+]Cc1c(F)ccc(F)c1Cl)C(F)(F)F ZINC000628279092 401566173 /nfs/dbraw/zinc/56/61/73/401566173.db2.gz UCSFMCAWTBJOBK-SECBINFHSA-N 1 0 303.658 3.021 10 0 DGAERO CO[C@@](C)(C[NH2+]Cc1oc(C)nc1C)COCc1ccccc1 ZINC000628337303 401577904 /nfs/dbraw/zinc/57/79/04/401577904.db2.gz BOGVPSQVGFLFCB-SFHVURJKSA-N 1 0 318.417 3.003 10 0 DGAERO c1nc2c(s1)CCC[C@H]2[NH2+]CCc1cnc(C2CC2)nc1 ZINC000623925158 401600701 /nfs/dbraw/zinc/60/07/01/401600701.db2.gz ZCHUFFPTMTXTDV-CYBMUJFWSA-N 1 0 300.431 3.020 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000623902125 401597065 /nfs/dbraw/zinc/59/70/65/401597065.db2.gz BBFHBSSYCGWSOI-JYBIWHBTSA-N 1 0 316.489 3.444 10 0 DGAERO c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c2c(c1)COCC2 ZINC000631729838 401545708 /nfs/dbraw/zinc/54/57/08/401545708.db2.gz SJDVEZIAXLIRMP-QRVBRYPASA-N 1 0 313.441 3.197 10 0 DGAERO c1csc([C@@H]([NH2+]C2CN(c3ccncn3)C2)C2CCCC2)c1 ZINC000631746634 401548503 /nfs/dbraw/zinc/54/85/03/401548503.db2.gz OOWNIJCGKJEPCF-KRWDZBQOSA-N 1 0 314.458 3.248 10 0 DGAERO Cc1nc(C)c(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000628210422 401551141 /nfs/dbraw/zinc/55/11/41/401551141.db2.gz WGFAKJSTPAWREG-SFHVURJKSA-N 1 0 313.445 3.293 10 0 DGAERO C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1nc2c(s1)CCC2 ZINC000623615077 401556327 /nfs/dbraw/zinc/55/63/27/401556327.db2.gz OODWGHXSVPNXFR-AWEZNQCLSA-N 1 0 305.491 3.128 10 0 DGAERO C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1nc2c(s1)CCC2 ZINC000623615078 401556579 /nfs/dbraw/zinc/55/65/79/401556579.db2.gz OODWGHXSVPNXFR-CQSZACIVSA-N 1 0 305.491 3.128 10 0 DGAERO O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632854795 401631997 /nfs/dbraw/zinc/63/19/97/401631997.db2.gz LPAYHGYXWBZXND-QMTHXVAHSA-N 1 0 313.228 3.208 10 0 DGAERO O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632854796 401632043 /nfs/dbraw/zinc/63/20/43/401632043.db2.gz LPAYHGYXWBZXND-YGRLFVJLSA-N 1 0 313.228 3.208 10 0 DGAERO O=C(c1cc(Cl)sc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632875748 401633964 /nfs/dbraw/zinc/63/39/64/401633964.db2.gz NIBMWWRTOPSERY-SCZZXKLOSA-N 1 0 319.257 3.269 10 0 DGAERO CCCC[N@H+](CCCN1CCOCC1)Cc1ccccc1F ZINC000358492420 286076864 /nfs/dbraw/zinc/07/68/64/286076864.db2.gz PZMIUVTVDKCONA-UHFFFAOYSA-N 1 0 308.441 3.150 10 0 DGAERO c1csc(CC2CN(Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000628479175 401604224 /nfs/dbraw/zinc/60/42/24/401604224.db2.gz BSJJDTLZEZYZJC-UHFFFAOYSA-N 1 0 310.426 3.003 10 0 DGAERO C([NH2+]C1CCN([C@@H]2CCOC2)CC1)C(C1CCC1)C1CCC1 ZINC000624038533 401616939 /nfs/dbraw/zinc/61/69/39/401616939.db2.gz LEVUMCDVKDTEMG-GOSISDBHSA-N 1 0 306.494 3.046 10 0 DGAERO c1nc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000624056957 401620330 /nfs/dbraw/zinc/62/03/30/401620330.db2.gz UQAFGXCWCNLEMO-LSDHHAIUSA-N 1 0 300.427 3.252 10 0 DGAERO C(c1nc(C2CCCCC2)no1)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624061905 401620688 /nfs/dbraw/zinc/62/06/88/401620688.db2.gz NKKJAUJQOQFMHY-INIZCTEOSA-N 1 0 319.449 3.161 10 0 DGAERO C[C@H](CSc1nnc(-c2c[nH]c3ccccc32)o1)[NH+](C)C ZINC000358861088 286171775 /nfs/dbraw/zinc/17/17/75/286171775.db2.gz LUVPAJOWYFHKRF-SNVBAGLBSA-N 1 0 302.403 3.260 10 0 DGAERO COc1c(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c(C)nn1C ZINC000157020103 286183831 /nfs/dbraw/zinc/18/38/31/286183831.db2.gz QLRVHRVQXFJOBE-QGZVFWFLSA-N 1 0 314.433 3.249 10 0 DGAERO COCC[N@H+](CCc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000358962805 286199680 /nfs/dbraw/zinc/19/96/80/286199680.db2.gz CRXRWHFEHCGHOJ-UHFFFAOYSA-N 1 0 313.397 3.106 10 0 DGAERO c1sc2ccccc2c1N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423050293 296651550 /nfs/dbraw/zinc/65/15/50/296651550.db2.gz YWNKXQMTYKBYFW-RBSFLKMASA-N 1 0 302.443 3.470 10 0 DGAERO Cn1ccc([C@H]([NH2+][C@H]2CCOC(C)(C)C2)c2ccc(F)cc2)n1 ZINC000359209208 286261504 /nfs/dbraw/zinc/26/15/04/286261504.db2.gz ILOFHPPOQCYYEX-DOTOQJQBSA-N 1 0 317.408 3.196 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000094955121 292248285 /nfs/dbraw/zinc/24/82/85/292248285.db2.gz AAWKPINYYSEBOP-QEJZJMRPSA-N 1 0 313.438 3.141 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@H](C)Sc2ccccc2)CC1 ZINC000359492163 286319626 /nfs/dbraw/zinc/31/96/26/286319626.db2.gz HXUHZSGDEFHZRT-HNNXBMFYSA-N 1 0 320.502 3.405 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000359580179 286340599 /nfs/dbraw/zinc/34/05/99/286340599.db2.gz UYGWMHVFNMOPTD-DZGCQCFKSA-N 1 0 324.852 3.098 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000359613956 286347068 /nfs/dbraw/zinc/34/70/68/286347068.db2.gz SUJORFPVTIXFBE-BBRMVZONSA-N 1 0 324.852 3.098 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000359613957 286347174 /nfs/dbraw/zinc/34/71/74/286347174.db2.gz SUJORFPVTIXFBE-CJNGLKHVSA-N 1 0 324.852 3.098 10 0 DGAERO Brc1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)o1 ZINC000359677757 286359149 /nfs/dbraw/zinc/35/91/49/286359149.db2.gz OGBCBNWRLLURMZ-UHFFFAOYSA-N 1 0 322.206 3.042 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000359755262 286375489 /nfs/dbraw/zinc/37/54/89/286375489.db2.gz ZDRRRPFOMXAGIC-MRXNPFEDSA-N 1 0 318.465 3.229 10 0 DGAERO Brc1cnc(C[NH2+][C@H]2CCOC3(CCC3)C2)s1 ZINC000359934360 286391429 /nfs/dbraw/zinc/39/14/29/286391429.db2.gz RTAIJYVSCOQHTI-VIFPVBQESA-N 1 0 317.252 3.097 10 0 DGAERO COc1cccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1OC ZINC000092785708 286449686 /nfs/dbraw/zinc/44/96/86/286449686.db2.gz PIDYSPGBERLIPB-QGZVFWFLSA-N 1 0 318.461 3.154 10 0 DGAERO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[C@H]3OCC[C@H]31)C2 ZINC000249104455 286478573 /nfs/dbraw/zinc/47/85/73/286478573.db2.gz VCUZJSFIFDJDKP-ITQYTPKQSA-N 1 0 301.430 3.100 10 0 DGAERO CS(=O)(=O)CC1CCC([NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000449370889 286592312 /nfs/dbraw/zinc/59/23/12/286592312.db2.gz OAURBQHBZWGRAF-KMZOKZLKSA-N 1 0 313.507 3.148 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc2c(c1)COC2 ZINC000362127690 286771714 /nfs/dbraw/zinc/77/17/14/286771714.db2.gz BOJURLPJVGJYPK-AUUYWEPGSA-N 1 0 322.408 3.173 10 0 DGAERO CC[C@@H](COC)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000079733511 286851706 /nfs/dbraw/zinc/85/17/06/286851706.db2.gz LYXDRQAMCBICQR-AAEUAGOBSA-N 1 0 314.223 3.287 10 0 DGAERO C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CSCCS1 ZINC000364379275 287019999 /nfs/dbraw/zinc/01/99/99/287019999.db2.gz BBSARTOGVCZHLY-BARDWOONSA-N 1 0 301.521 3.020 10 0 DGAERO C/C(=C\C(C)(C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000364388644 287020965 /nfs/dbraw/zinc/02/09/65/287020965.db2.gz VCRLZOPMCGVVCG-GOCZWWTBSA-N 1 0 304.478 3.454 10 0 DGAERO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000163872817 164593021 /nfs/dbraw/zinc/59/30/21/164593021.db2.gz CNBYPMCSDQZREA-SSDOTTSWSA-N 1 0 306.715 3.153 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166474938 164602202 /nfs/dbraw/zinc/60/22/02/164602202.db2.gz QRHCURBJYBFFOQ-MAUKXSAKSA-N 1 0 312.461 3.302 10 0 DGAERO CC[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccs1 ZINC000171653350 164635716 /nfs/dbraw/zinc/63/57/16/164635716.db2.gz UZVUYYKQBSBSDE-GJZGRUSLSA-N 1 0 321.490 3.469 10 0 DGAERO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000172933180 164678736 /nfs/dbraw/zinc/67/87/36/164678736.db2.gz RXKWXZBKXWTZNQ-KBPBESRZSA-N 1 0 321.440 3.005 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccncc1 ZINC000173992814 164713650 /nfs/dbraw/zinc/71/36/50/164713650.db2.gz OGDORVWCZPUXIF-MRXNPFEDSA-N 1 0 319.408 3.142 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1Cl ZINC000174196356 164720383 /nfs/dbraw/zinc/72/03/83/164720383.db2.gz YCLGXVQFSBYIDU-ZIAGYGMSSA-N 1 0 318.852 3.393 10 0 DGAERO CSc1ccc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000178451270 164838365 /nfs/dbraw/zinc/83/83/65/164838365.db2.gz SXKKGTPNOIFPGG-CYBMUJFWSA-N 1 0 306.475 3.051 10 0 DGAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(-c2cccnc2)cc1 ZINC000178844244 164849427 /nfs/dbraw/zinc/84/94/27/164849427.db2.gz NMOXRGSEVMPIFL-KBXCAEBGSA-N 1 0 309.413 3.068 10 0 DGAERO CC1(C)C[C@H]([NH2+]CC[C@@H]2c3ccccc3NC2=O)C(C)(C)O1 ZINC000180388933 164882425 /nfs/dbraw/zinc/88/24/25/164882425.db2.gz JIYJYHMYCRVLJB-HIFRSBDPSA-N 1 0 302.418 3.048 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000180618637 164889530 /nfs/dbraw/zinc/88/95/30/164889530.db2.gz DDDAGKIZSAKSGQ-KSSFIOAISA-N 1 0 324.472 3.385 10 0 DGAERO CC1(C)[C@H]([NH2+]CCCN2CCCC2=O)C[C@@H]1c1ccccc1 ZINC000181007076 164900330 /nfs/dbraw/zinc/90/03/30/164900330.db2.gz YEXFEQOSCFHPAX-IAGOWNOFSA-N 1 0 300.446 3.171 10 0 DGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(C)c(CC)c1 ZINC000181990393 164926322 /nfs/dbraw/zinc/92/63/22/164926322.db2.gz DBNYZZRHAYHLJJ-KRWDZBQOSA-N 1 0 321.465 3.036 10 0 DGAERO CC(C)c1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1F ZINC000184466938 164977877 /nfs/dbraw/zinc/97/78/77/164977877.db2.gz ZKTAQSOEMKEHHD-HNNXBMFYSA-N 1 0 317.408 3.427 10 0 DGAERO Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000185387441 165002940 /nfs/dbraw/zinc/00/29/40/165002940.db2.gz KKELKORGWTUIIR-GOEBONIOSA-N 1 0 315.442 3.118 10 0 DGAERO CCSc1cccc(C[NH2+][C@@H]2CCc3nc(CC)nn3C2)c1 ZINC000185523170 165006735 /nfs/dbraw/zinc/00/67/35/165006735.db2.gz ILHFIHPKCNXNGH-CQSZACIVSA-N 1 0 316.474 3.057 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)[C@@H]1COc2ccccc21 ZINC000185589559 165009060 /nfs/dbraw/zinc/00/90/60/165009060.db2.gz XGHHELNJSUEFPI-RBOXIYTFSA-N 1 0 319.351 3.153 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000185878882 165019932 /nfs/dbraw/zinc/01/99/32/165019932.db2.gz RFKJRJYMKQBBQM-GOEBONIOSA-N 1 0 312.413 3.298 10 0 DGAERO CCC[C@@H](C(=O)N1CC[C@H](c2c(F)cccc2F)C1)[NH+](C)C ZINC000186185955 165032190 /nfs/dbraw/zinc/03/21/90/165032190.db2.gz KIIBJCMOWADPPI-WFASDCNBSA-N 1 0 310.388 3.011 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCCSCC(C)C)C12CCOCC2 ZINC000186434359 165043658 /nfs/dbraw/zinc/04/36/58/165043658.db2.gz MVXLEQADRIHVGO-HZPDHXFCSA-N 1 0 315.523 3.330 10 0 DGAERO O=C(CCc1ccc(Cl)s1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186511141 165047152 /nfs/dbraw/zinc/04/71/52/165047152.db2.gz KTUYNUGMWGHZPO-NSHDSACASA-N 1 0 312.866 3.077 10 0 DGAERO O=C(c1ccc(-c2ccccc2)[nH]1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186502337 165047301 /nfs/dbraw/zinc/04/73/01/165047301.db2.gz OGFSFQUURDRACN-HNNXBMFYSA-N 1 0 309.413 3.038 10 0 DGAERO O=C(c1cc(Cl)sc1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186521162 165048782 /nfs/dbraw/zinc/04/87/82/165048782.db2.gz RVYNPCXBNRWHII-QMMMGPOBSA-N 1 0 319.257 3.412 10 0 DGAERO CCOC(=O)C[C@@](C)([NH2+]Cc1nc2cc(F)ccc2o1)C(C)C ZINC000186681573 165054048 /nfs/dbraw/zinc/05/40/48/165054048.db2.gz ODUMKYBEIZIFFV-QGZVFWFLSA-N 1 0 322.380 3.424 10 0 DGAERO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(C)n1 ZINC000186901365 165065814 /nfs/dbraw/zinc/06/58/14/165065814.db2.gz RVELXHHHORROHR-HNNXBMFYSA-N 1 0 317.477 3.071 10 0 DGAERO Cc1nc([C@H]2CCCN2C(=O)[C@@H](C)[NH+]2CCCCCC2)cs1 ZINC000187137492 165078261 /nfs/dbraw/zinc/07/82/61/165078261.db2.gz KOLSAXXPAARFLY-CZUORRHYSA-N 1 0 321.490 3.380 10 0 DGAERO C[C@@H](C[NH2+]CC(=O)N(C)Cc1ccccc1)Cc1ccccc1 ZINC000187226741 165081270 /nfs/dbraw/zinc/08/12/70/165081270.db2.gz MEQCSTKATYGUCQ-QGZVFWFLSA-N 1 0 310.441 3.113 10 0 DGAERO CCCNC(=O)C1([NH2+]Cc2ccc(C)nc2C)CCCCC1 ZINC000187279363 165082962 /nfs/dbraw/zinc/08/29/62/165082962.db2.gz WSLKICVYCAZPEM-UHFFFAOYSA-N 1 0 303.450 3.017 10 0 DGAERO Cc1ccc(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c(C)n1 ZINC000187297255 165085903 /nfs/dbraw/zinc/08/59/03/165085903.db2.gz WSQRYNLUVCUUSG-KRWDZBQOSA-N 1 0 313.449 3.250 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccccc1)C(C)C)CC2 ZINC000187328787 165087804 /nfs/dbraw/zinc/08/78/04/165087804.db2.gz YRHVPEVCZOUOHC-DLBZAZTESA-N 1 0 312.461 3.012 10 0 DGAERO Cc1cc2cc(CN3CCO[C@]4(CCOC4)C3)oc2cc1C ZINC000187536680 165093627 /nfs/dbraw/zinc/09/36/27/165093627.db2.gz VIUGSZWKDYVPSD-GOSISDBHSA-N 1 0 301.386 3.041 10 0 DGAERO CSC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000187906746 165104917 /nfs/dbraw/zinc/10/49/17/165104917.db2.gz UTKSCOVZQCTWGL-OLZOCXBDSA-N 1 0 314.520 3.170 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000188029625 165110356 /nfs/dbraw/zinc/11/03/56/165110356.db2.gz WWJREIQOHOYURS-UHFFFAOYSA-N 1 0 324.415 3.230 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(F)c1 ZINC000188073022 165111334 /nfs/dbraw/zinc/11/13/34/165111334.db2.gz JLDXUCYSYPFPAZ-AEFFLSMTSA-N 1 0 316.424 3.269 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1c1ccsc1 ZINC000188114504 165113304 /nfs/dbraw/zinc/11/33/04/165113304.db2.gz RJPONCUQRRNSOJ-ZFWWWQNUSA-N 1 0 309.381 3.234 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)Cc1ccccc1F)CC2 ZINC000188184597 165114846 /nfs/dbraw/zinc/11/48/46/165114846.db2.gz CEGJIVUGJFHUFV-HIFRSBDPSA-N 1 0 316.424 3.076 10 0 DGAERO Cc1c(C(=O)N2CC[NH+]3CCC2CC3)sc2cccc(F)c12 ZINC000188612436 165130470 /nfs/dbraw/zinc/13/04/70/165130470.db2.gz MGFYWHVUKASBDZ-UHFFFAOYSA-N 1 0 318.417 3.269 10 0 DGAERO O=C([C@H]1C[C@@H]1c1ccc2ccccc2c1)N1CC[NH+]2CCC1CC2 ZINC000188616611 165130483 /nfs/dbraw/zinc/13/04/83/165130483.db2.gz INDBQHHNJHFAJV-UXHICEINSA-N 1 0 320.436 3.250 10 0 DGAERO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188621334 165131257 /nfs/dbraw/zinc/13/12/57/165131257.db2.gz DUVYKIQEKSDJRI-UHFFFAOYSA-N 1 0 318.804 3.315 10 0 DGAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000188731644 165134325 /nfs/dbraw/zinc/13/43/25/165134325.db2.gz NYYKRBVYELZWBC-IAGOWNOFSA-N 1 0 307.459 3.009 10 0 DGAERO O=C(CCC1CCC1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188966432 165142898 /nfs/dbraw/zinc/14/28/98/165142898.db2.gz LIERFTQENVIXOH-WMLDXEAASA-N 1 0 322.399 3.107 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCC12CCCC2 ZINC000189186492 165151866 /nfs/dbraw/zinc/15/18/66/165151866.db2.gz OBUBAYHWBRZCJD-YOEHRIQHSA-N 1 0 311.429 3.097 10 0 DGAERO Cc1cccc2nc(C3CC[NH+](Cc4cncn4C)CC3)oc21 ZINC000189819954 165178948 /nfs/dbraw/zinc/17/89/48/165178948.db2.gz FNOMUUGZTKLRFU-UHFFFAOYSA-N 1 0 310.401 3.249 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3cncc(C)c3)C2)c1 ZINC000189919012 165182110 /nfs/dbraw/zinc/18/21/10/165182110.db2.gz BWPUVJQKMKCIOD-MRXNPFEDSA-N 1 0 312.413 3.397 10 0 DGAERO Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000189949563 165183683 /nfs/dbraw/zinc/18/36/83/165183683.db2.gz WXCMKYSSAURMAR-SFHVURJKSA-N 1 0 324.424 3.310 10 0 DGAERO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)CC1CC(O)C1 ZINC000190130312 165189517 /nfs/dbraw/zinc/18/95/17/165189517.db2.gz QBWNPRITLHWVII-IFQILLTASA-N 1 0 321.808 3.154 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000190272326 165195341 /nfs/dbraw/zinc/19/53/41/165195341.db2.gz SYOAVECPZLNRQB-CQSZACIVSA-N 1 0 323.506 3.110 10 0 DGAERO COCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)cc1 ZINC000190291901 165197411 /nfs/dbraw/zinc/19/74/11/165197411.db2.gz WYCROXAAUROYJB-MSOLQXFVSA-N 1 0 317.454 3.102 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccccc1-n1cccn1 ZINC000191053497 165226378 /nfs/dbraw/zinc/22/63/78/165226378.db2.gz KFJIGXSSFIYZFI-RDJZCZTQSA-N 1 0 313.445 3.464 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000191058512 165229392 /nfs/dbraw/zinc/22/93/92/165229392.db2.gz HJCRLCBDUSMXKZ-KXBFYZLASA-N 1 0 313.445 3.464 10 0 DGAERO CCN(C)c1ccc(C[N@H+](CCc2nccs2)C(C)C)cn1 ZINC000191417857 165247668 /nfs/dbraw/zinc/24/76/68/165247668.db2.gz JOOVXZPQRQCOJO-UHFFFAOYSA-N 1 0 318.490 3.447 10 0 DGAERO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191659633 165263269 /nfs/dbraw/zinc/26/32/69/165263269.db2.gz ZMIBRKKYRYOEBS-ZDUSSCGKSA-N 1 0 303.372 3.447 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191672575 165264293 /nfs/dbraw/zinc/26/42/93/165264293.db2.gz VXEKJWFIAGPBSJ-ZDUSSCGKSA-N 1 0 310.388 3.059 10 0 DGAERO O=C1OCC[C@H]1CC[N@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191675760 165265083 /nfs/dbraw/zinc/26/50/83/165265083.db2.gz SKPFABBKDPQWMU-CHWSQXEVSA-N 1 0 309.356 3.097 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3cc(C)sc3C)CC2)[nH]1 ZINC000191686805 165265706 /nfs/dbraw/zinc/26/57/06/165265706.db2.gz PSYSOOHRZDPPEB-UHFFFAOYSA-N 1 0 304.463 3.425 10 0 DGAERO Cn1c2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2sc1=O ZINC000192469763 165292199 /nfs/dbraw/zinc/29/21/99/165292199.db2.gz QYKSQCJGZHCYSL-CYBMUJFWSA-N 1 0 314.410 3.360 10 0 DGAERO Cn1c2ccc(C[NH2+]Cc3ccc(F)cc3)cc2sc1=O ZINC000192453053 165292604 /nfs/dbraw/zinc/29/26/04/165292604.db2.gz HFWDDSXENIBYFN-UHFFFAOYSA-N 1 0 302.374 3.029 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000192756589 165305459 /nfs/dbraw/zinc/30/54/59/165305459.db2.gz KYATWUGCVSIJLH-QRQLOZEOSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccnc(N)c2)cc1 ZINC000193524023 165327100 /nfs/dbraw/zinc/32/71/00/165327100.db2.gz GUALCERNWVOIEN-CYBMUJFWSA-N 1 0 307.401 3.009 10 0 DGAERO CC(C)[NH2+]CCN(C)CCCc1cc(-c2ccccc2)no1 ZINC000193433206 165327253 /nfs/dbraw/zinc/32/72/53/165327253.db2.gz WGHNFFXEVFVLQS-UHFFFAOYSA-N 1 0 301.434 3.204 10 0 DGAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N1CCc2ccccc21 ZINC000194518993 165349193 /nfs/dbraw/zinc/34/91/93/165349193.db2.gz IDXCHUHPXHFRET-AWEZNQCLSA-N 1 0 321.424 3.022 10 0 DGAERO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195324327 165365667 /nfs/dbraw/zinc/36/56/67/165365667.db2.gz MKEILWOUODYGQC-KBPBESRZSA-N 1 0 323.506 3.324 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](CC(=O)N3CCCCCC3)C2)n1 ZINC000195335990 165365875 /nfs/dbraw/zinc/36/58/75/165365875.db2.gz BFDDVYFFSYZMEO-HNNXBMFYSA-N 1 0 321.490 3.034 10 0 DGAERO Cc1cccc2nc(C[N@@H+]3CCC[C@H](c4nccs4)C3)cn21 ZINC000195340067 165367462 /nfs/dbraw/zinc/36/74/62/165367462.db2.gz XRMVUWARBYRENL-AWEZNQCLSA-N 1 0 312.442 3.479 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](CCC(=O)NC3CCCC3)C2)n1 ZINC000195339012 165367776 /nfs/dbraw/zinc/36/77/76/165367776.db2.gz NCIBWQDWIPHLTD-AWEZNQCLSA-N 1 0 321.490 3.080 10 0 DGAERO CCc1csc([C@@H]2CCCN([C@@H](C)C(=O)NCC(C)C)C2)n1 ZINC000195379479 165368704 /nfs/dbraw/zinc/36/87/04/165368704.db2.gz SDCDLENJQJWNRS-UONOGXRCSA-N 1 0 323.506 3.046 10 0 DGAERO Cc1csc([C@H]2CN(CCOc3ccc(F)cc3)CCO2)n1 ZINC000195393161 165369225 /nfs/dbraw/zinc/36/92/25/165369225.db2.gz IOBYDECOAZHFCK-OAHLLOKOSA-N 1 0 322.405 3.043 10 0 DGAERO Cc1ccccc1OCCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503921 165372081 /nfs/dbraw/zinc/37/20/81/165372081.db2.gz LIMNUKGZQNBZAX-UHFFFAOYSA-N 1 0 313.445 3.377 10 0 DGAERO Clc1ccc(OCC[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195506579 165372312 /nfs/dbraw/zinc/37/23/12/165372312.db2.gz NQBRYFXPALFRSE-UHFFFAOYSA-N 1 0 305.809 3.322 10 0 DGAERO Cc1ccc2c(C[NH+]3CCC(c4cc[nH]n4)CC3)cc(=O)oc2c1 ZINC000195506555 165372428 /nfs/dbraw/zinc/37/24/28/165372428.db2.gz KILGYMWJNHNTND-UHFFFAOYSA-N 1 0 323.396 3.204 10 0 DGAERO CC[C@@]1(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCC[NH2+]1 ZINC000215318787 165376173 /nfs/dbraw/zinc/37/61/73/165376173.db2.gz GWBHASBZSLKYFU-HNNXBMFYSA-N 1 0 315.244 3.484 10 0 DGAERO O[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000217853332 165378293 /nfs/dbraw/zinc/37/82/93/165378293.db2.gz BHUMFSGHTWIHLF-ZYHUDNBSSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1sc2nc(C[N@H+]3CC[C@@H](C)[C@@H](C)C3)nc(N)c2c1C ZINC000221408569 165379742 /nfs/dbraw/zinc/37/97/42/165379742.db2.gz JUNQPCCNABXIKV-ZJUUUORDSA-N 1 0 304.463 3.368 10 0 DGAERO OCC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000227572560 165386733 /nfs/dbraw/zinc/38/67/33/165386733.db2.gz RYEJXTARAWTCCR-LBPRGKRZSA-N 1 0 306.793 3.199 10 0 DGAERO Cc1cc(CN2CCC[C@H](C)[C@H]2C[NH3+])ccc1Br ZINC000227372341 165386775 /nfs/dbraw/zinc/38/67/75/165386775.db2.gz VYMGOPXRMIPBCS-XHDPSFHLSA-N 1 0 311.267 3.317 10 0 DGAERO c1ncn(CC[N@@H+]2CCC[C@@H]2C[C@@H]2CCCc3ccccc32)n1 ZINC000365226311 287111236 /nfs/dbraw/zinc/11/12/36/287111236.db2.gz ICXICMYKSXXJJG-ZWKOTPCHSA-N 1 0 310.445 3.253 10 0 DGAERO C[C@@H]1CN(Cc2ccc(Br)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000235349755 165404789 /nfs/dbraw/zinc/40/47/89/165404789.db2.gz KYVCSMADUGXOQX-ZJUUUORDSA-N 1 0 317.658 3.285 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000246191201 165507616 /nfs/dbraw/zinc/50/76/16/165507616.db2.gz MAYONDPHQOYGHT-WBVHZDCISA-N 1 0 305.418 3.182 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000246333666 165514869 /nfs/dbraw/zinc/51/48/69/165514869.db2.gz BOZYHQSNMVKLER-JQWIXIFHSA-N 1 0 311.788 3.180 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000248773450 165648091 /nfs/dbraw/zinc/64/80/91/165648091.db2.gz HKSYFEVTLBFVJW-SOLBZPMBSA-N 1 0 317.429 3.456 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249481884 165677363 /nfs/dbraw/zinc/67/73/63/165677363.db2.gz XDBOWMRQDKTOAS-FUHWJXTLSA-N 1 0 324.472 3.283 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1c(F)cccc1Cl ZINC000261862037 165758512 /nfs/dbraw/zinc/75/85/12/165758512.db2.gz NHAWNEFSRBLXFM-SWKMLJDHSA-N 1 0 310.800 3.115 10 0 DGAERO CCN(CCc1cccs1)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000261946823 165769352 /nfs/dbraw/zinc/76/93/52/165769352.db2.gz ORUOMCLETWNXJM-CVEARBPZSA-N 1 0 308.491 3.437 10 0 DGAERO COc1cc(C)c(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1OC ZINC000261971147 165772710 /nfs/dbraw/zinc/77/27/10/165772710.db2.gz ZBHDBHPHGYUYMU-CQSZACIVSA-N 1 0 320.433 3.248 10 0 DGAERO O=C(NCC1(c2ccccc2)CCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262180255 165791873 /nfs/dbraw/zinc/79/18/73/165791873.db2.gz GFUCHJXPEHOEMA-NXHRZFHOSA-N 1 0 312.457 3.145 10 0 DGAERO C[C@@H](C(=O)Nc1nc(-c2ccccc2Cl)cs1)C1C[NH2+]C1 ZINC000262296168 165796508 /nfs/dbraw/zinc/79/65/08/165796508.db2.gz ZFBABHWKIRSPHD-SECBINFHSA-N 1 0 321.833 3.258 10 0 DGAERO C[C@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000262568348 165811245 /nfs/dbraw/zinc/81/12/45/165811245.db2.gz XBRRZUHLLHXYND-GWCFXTLKSA-N 1 0 315.339 3.297 10 0 DGAERO CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263174488 165841278 /nfs/dbraw/zinc/84/12/78/165841278.db2.gz GAUMPZGTDHOUSX-XJKSGUPXSA-N 1 0 312.816 3.345 10 0 DGAERO Cc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](C)CS(C)(=O)=O)o1 ZINC000365981273 287195081 /nfs/dbraw/zinc/19/50/81/287195081.db2.gz VSMYZGSTSDPFMU-UKRRQHHQSA-N 1 0 313.463 3.186 10 0 DGAERO c1cc(-c2ccc(CN3CCOC[C@@H]3c3ccccc3)o2)n[nH]1 ZINC000366020859 287200926 /nfs/dbraw/zinc/20/09/26/287200926.db2.gz FJZQCZGQZMOHSN-QGZVFWFLSA-N 1 0 309.369 3.243 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000181983031 432152489 /nfs/dbraw/zinc/15/24/89/432152489.db2.gz JRQUOBDHIOOLBL-OAHLLOKOSA-N 1 0 302.422 3.054 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000246676422 432152646 /nfs/dbraw/zinc/15/26/46/432152646.db2.gz GQIYHTUQVXKHJL-KFWWJZLASA-N 1 0 324.490 3.201 10 0 DGAERO Cc1cc(C)n2c(C[NH2+]CCc3cc(C)c(O)c(C)c3)cnc2n1 ZINC000190397487 432152802 /nfs/dbraw/zinc/15/28/02/432152802.db2.gz XOSVSLVZXADYQF-UHFFFAOYSA-N 1 0 324.428 3.001 10 0 DGAERO Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)on2)cc1 ZINC000171619166 432153010 /nfs/dbraw/zinc/15/30/10/432153010.db2.gz LHRGMTXRYSICON-MRXNPFEDSA-N 1 0 323.400 3.079 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(C)c1 ZINC000246630075 432150859 /nfs/dbraw/zinc/15/08/59/432150859.db2.gz YOACVAFJLRUOMI-CABCVRRESA-N 1 0 305.397 3.225 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000246657051 432151175 /nfs/dbraw/zinc/15/11/75/432151175.db2.gz GIHHNZMZUPDVQG-MPGHIAIKSA-N 1 0 318.461 3.178 10 0 DGAERO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc3ccccc32)CCS1 ZINC000171695930 432161395 /nfs/dbraw/zinc/16/13/95/432161395.db2.gz HZDLHVVGOGTFJV-ZBFHGGJFSA-N 1 0 317.454 3.017 10 0 DGAERO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000182147807 432161929 /nfs/dbraw/zinc/16/19/29/432161929.db2.gz VOECSDGDQAEIAE-CVEARBPZSA-N 1 0 321.465 3.152 10 0 DGAERO c1coc(-c2cc(CN3CC[C@H](CNc4ccccn4)C3)no2)c1 ZINC000171645114 432154418 /nfs/dbraw/zinc/15/44/18/432154418.db2.gz PHMWVGFBLKMDHE-CQSZACIVSA-N 1 0 324.384 3.264 10 0 DGAERO CCc1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1C ZINC000182018742 432154504 /nfs/dbraw/zinc/15/45/04/432154504.db2.gz ZKIPCYVSGODBEF-YOEHRIQHSA-N 1 0 301.434 3.258 10 0 DGAERO CCc1cnccc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000136552169 432158344 /nfs/dbraw/zinc/15/83/44/432158344.db2.gz BIZDJLJEMXRKRD-UHFFFAOYSA-N 1 0 310.332 3.221 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCCc2sccc21 ZINC000136582939 432158405 /nfs/dbraw/zinc/15/84/05/432158405.db2.gz BFJQVDVJTLJTLY-UMVBOHGHSA-N 1 0 319.474 3.004 10 0 DGAERO CCCCCC[C@H](C)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246732044 432158899 /nfs/dbraw/zinc/15/88/99/432158899.db2.gz MJADSBSRJMATAM-IRXDYDNUSA-N 1 0 324.509 3.305 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000246757837 432162881 /nfs/dbraw/zinc/16/28/81/432162881.db2.gz QIXVXKIVUXFBMI-HZSPNIEDSA-N 1 0 309.479 3.181 10 0 DGAERO C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246757114 432163217 /nfs/dbraw/zinc/16/32/17/432163217.db2.gz HNLRQTGFEMQEMS-IIDMSEBBSA-N 1 0 320.452 3.336 10 0 DGAERO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000182148126 432163602 /nfs/dbraw/zinc/16/36/02/432163602.db2.gz VVXPBPZVXLUPEY-HOTGVXAUSA-N 1 0 321.465 3.060 10 0 DGAERO Clc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000246791554 432164740 /nfs/dbraw/zinc/16/47/40/432164740.db2.gz SFQLVGQKRBZTHQ-MLGOLLRUSA-N 1 0 302.809 3.256 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3ccccc32)C1 ZINC000246773714 432165488 /nfs/dbraw/zinc/16/54/88/432165488.db2.gz QNDHNGBKYJNAQX-LPHOPBHVSA-N 1 0 308.425 3.396 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@]3(CC=CCC3)C2)C1 ZINC000246802955 432167336 /nfs/dbraw/zinc/16/73/36/432167336.db2.gz SXRNXKYQKMKNKQ-IEBWSBKVSA-N 1 0 319.493 3.250 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1Cl ZINC000246818048 432167638 /nfs/dbraw/zinc/16/76/38/432167638.db2.gz CIUDLVZUTKCCIR-PWSUYJOCSA-N 1 0 313.228 3.302 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(C(C)C)cs1 ZINC000246818373 432167657 /nfs/dbraw/zinc/16/76/57/432167657.db2.gz AFEUNFSGLVEWFD-STQMWFEESA-N 1 0 322.478 3.357 10 0 DGAERO Cc1cc2[nH]c(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cc2c(C)c1 ZINC000246832888 432169392 /nfs/dbraw/zinc/16/93/92/432169392.db2.gz CVIHCVZTJBZAIV-CABCVRRESA-N 1 0 311.429 3.093 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246874756 432176912 /nfs/dbraw/zinc/17/69/12/432176912.db2.gz VEWQZUSZIBCLTK-JSGCOSHPSA-N 1 0 323.412 3.171 10 0 DGAERO c1cnc(N2CCC[C@@H](Nc3cc[nH+]c4ccccc34)C2)nc1 ZINC000171851229 432178561 /nfs/dbraw/zinc/17/85/61/432178561.db2.gz CWTXALNGKVXAMP-CQSZACIVSA-N 1 0 305.385 3.106 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+]C[C@H]3CC=CCC3)C2)c1 ZINC000129621006 196062871 /nfs/dbraw/zinc/06/28/71/196062871.db2.gz PUOSASQAFBGIHZ-IRXDYDNUSA-N 1 0 300.446 3.467 10 0 DGAERO c1cnc(N2CCC[C@H](Nc3cc[nH+]c4ccccc34)C2)nc1 ZINC000171851234 432179363 /nfs/dbraw/zinc/17/93/63/432179363.db2.gz CWTXALNGKVXAMP-AWEZNQCLSA-N 1 0 305.385 3.106 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(F)cc1N(C)C ZINC000246915684 432180056 /nfs/dbraw/zinc/18/00/56/432180056.db2.gz FVQDPIVQTJXKSC-PTOXDTDZSA-N 1 0 306.425 3.500 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190658643 432180313 /nfs/dbraw/zinc/18/03/13/432180313.db2.gz COSIFPHMNXUIIG-OLZOCXBDSA-N 1 0 320.399 3.298 10 0 DGAERO CC(C)C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000139393812 432183611 /nfs/dbraw/zinc/18/36/11/432183611.db2.gz RTPNDMKEERIIJI-DLBZAZTESA-N 1 0 303.450 3.167 10 0 DGAERO CS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000246964310 432184212 /nfs/dbraw/zinc/18/42/12/432184212.db2.gz VBYVGIZUACWLER-HLLBOEOZSA-N 1 0 320.502 3.470 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246974179 432185904 /nfs/dbraw/zinc/18/59/04/432185904.db2.gz JEVKCLGHRODBEU-GDBMZVCRSA-N 1 0 304.434 3.137 10 0 DGAERO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](C)OC)CC1 ZINC000182411165 432186883 /nfs/dbraw/zinc/18/68/83/432186883.db2.gz CZADSOJQYRZPCZ-CQSZACIVSA-N 1 0 301.434 3.271 10 0 DGAERO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H](O)COC(C)(C)C)cc1 ZINC000246991357 432188530 /nfs/dbraw/zinc/18/85/30/432188530.db2.gz FFWVXNZSCSHUMS-QZTJIDSGSA-N 1 0 305.462 3.178 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2ccccc2F)o1 ZINC000247008460 432189893 /nfs/dbraw/zinc/18/98/93/432189893.db2.gz UDIWVULZTCELNG-KGLIPLIRSA-N 1 0 315.392 3.149 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(C)cc1 ZINC000247063317 432198625 /nfs/dbraw/zinc/19/86/25/432198625.db2.gz XNRPYUSFCBEHIF-MSOLQXFVSA-N 1 0 300.446 3.013 10 0 DGAERO CC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000269669603 432195178 /nfs/dbraw/zinc/19/51/78/432195178.db2.gz ZVIXLYSPHCSSAS-MRXNPFEDSA-N 1 0 303.427 3.263 10 0 DGAERO CCc1sc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)cc1C ZINC000247043594 432195576 /nfs/dbraw/zinc/19/55/76/432195576.db2.gz VQIYGNXCVNBKAJ-KGLIPLIRSA-N 1 0 306.475 3.318 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000247052914 432196124 /nfs/dbraw/zinc/19/61/24/432196124.db2.gz ZMTONTIHXFBEAR-QLFBSQMISA-N 1 0 322.399 3.011 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCCNC1=O)[C@H](C)c1nc2ccccc2s1 ZINC000247040225 432196549 /nfs/dbraw/zinc/19/65/49/432196549.db2.gz MSGVDRANHSJZQY-OBJOEFQTSA-N 1 0 317.458 3.047 10 0 DGAERO CN1CCC[C@H]1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000190874638 432197769 /nfs/dbraw/zinc/19/77/69/432197769.db2.gz DWIKBFCPCKCCES-QMMMGPOBSA-N 1 0 323.687 3.348 10 0 DGAERO C[C@H]1C[N@H+](CC(=O)Nc2ccncc2)CC[C@@H]1c1ccccc1 ZINC000129834920 196079098 /nfs/dbraw/zinc/07/90/98/196079098.db2.gz SOIIYHJIZPFAQE-YJBOKZPZSA-N 1 0 309.413 3.146 10 0 DGAERO O=C(c1ccoc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247085277 432200447 /nfs/dbraw/zinc/20/04/47/432200447.db2.gz RERCEUMIYDIXEH-IEBWSBKVSA-N 1 0 324.424 3.406 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000130551223 196089692 /nfs/dbraw/zinc/08/96/92/196089692.db2.gz TUHBDESQJDZIJS-SJORKVTESA-N 1 0 313.397 3.232 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000130551621 196089882 /nfs/dbraw/zinc/08/98/82/196089882.db2.gz TUHBDESQJDZIJS-IRXDYDNUSA-N 1 0 313.397 3.232 10 0 DGAERO C[C@@H](c1ccccc1F)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247186538 432208439 /nfs/dbraw/zinc/20/84/39/432208439.db2.gz BOFWRFVLTFVQRN-HOTGVXAUSA-N 1 0 306.425 3.073 10 0 DGAERO CCN(C)c1ccc(C[NH2+]CCCc2cccc(F)c2)cn1 ZINC000190990232 432208740 /nfs/dbraw/zinc/20/87/40/432208740.db2.gz KPPFRDQROASSDW-UHFFFAOYSA-N 1 0 301.409 3.399 10 0 DGAERO CCCOc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247186582 432208935 /nfs/dbraw/zinc/20/89/35/432208935.db2.gz BHELHYRKCFIHNQ-HOCLYGCPSA-N 1 0 304.434 3.030 10 0 DGAERO C[C@@H](CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)CC(C)(C)C ZINC000190982909 432209589 /nfs/dbraw/zinc/20/95/89/432209589.db2.gz AODGAGVZCPJNKR-HOTGVXAUSA-N 1 0 307.482 3.105 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(OC(C)C)c3)[C@@H]2C1 ZINC000247225413 432213168 /nfs/dbraw/zinc/21/31/68/432213168.db2.gz ZECSSDVNUJVOPC-QRQLOZEOSA-N 1 0 319.445 3.242 10 0 DGAERO C[C@@H]1CCC[C@H](CC[N@@H+]2CCCN(c3cccnn3)CC2)C1 ZINC000151040866 432213390 /nfs/dbraw/zinc/21/33/90/432213390.db2.gz YMZUKYIDEBWZSL-IAGOWNOFSA-N 1 0 302.466 3.205 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc2ccccc21 ZINC000247234415 432213529 /nfs/dbraw/zinc/21/35/29/432213529.db2.gz MUVBQQRJZGGDIA-YJBOKZPZSA-N 1 0 308.425 3.077 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1CN(C)CC(=O)NC(C)(C)C ZINC000191042116 432214190 /nfs/dbraw/zinc/21/41/90/432214190.db2.gz NIWSNSSFCRISRS-UHFFFAOYSA-N 1 0 316.367 3.360 10 0 DGAERO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CCS1 ZINC000247236973 432214667 /nfs/dbraw/zinc/21/46/67/432214667.db2.gz DKARXQAKONAQKG-IJEWVQPXSA-N 1 0 306.475 3.080 10 0 DGAERO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)CCS1 ZINC000247236961 432214719 /nfs/dbraw/zinc/21/47/19/432214719.db2.gz DKARXQAKONAQKG-IIAWOOMASA-N 1 0 306.475 3.080 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000247249387 432215436 /nfs/dbraw/zinc/21/54/36/432215436.db2.gz YSXQVTDSBDKWEZ-RLFYNMQTSA-N 1 0 318.461 3.144 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000247125129 432203975 /nfs/dbraw/zinc/20/39/75/432203975.db2.gz UZGPLASIQHTVBD-WDYCEAGBSA-N 1 0 318.461 3.143 10 0 DGAERO C[C@@H]1CC[C@H](NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000247124117 432204058 /nfs/dbraw/zinc/20/40/58/432204058.db2.gz RHYMDQLUDFDRFZ-MDZRGWNJSA-N 1 0 302.462 3.061 10 0 DGAERO CCc1ccc(CN2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000172248785 432204774 /nfs/dbraw/zinc/20/47/74/432204774.db2.gz PBLUGYLTCBSMQD-HNNXBMFYSA-N 1 0 315.442 3.309 10 0 DGAERO CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000182559160 432205141 /nfs/dbraw/zinc/20/51/41/432205141.db2.gz XJHICCICNZIFBV-HZPDHXFCSA-N 1 0 317.477 3.449 10 0 DGAERO O[C@@H](C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)C1CCCCC1 ZINC000190951395 432205271 /nfs/dbraw/zinc/20/52/71/432205271.db2.gz WSZSFJUSFNEETI-PMACEKPBSA-N 1 0 315.457 3.102 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](CCCc3cccc(F)c3)C2)no1 ZINC000182744686 432225024 /nfs/dbraw/zinc/22/50/24/432225024.db2.gz JXAXZDMGPJNIPW-MRXNPFEDSA-N 1 0 317.408 3.404 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cccc2F)[C@H](C)C1 ZINC000182775975 432226645 /nfs/dbraw/zinc/22/66/45/432226645.db2.gz ANAGTXAVUCEQAC-HIFRSBDPSA-N 1 0 307.413 3.328 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191146243 432226636 /nfs/dbraw/zinc/22/66/36/432226636.db2.gz KXXVPKKOVJJJLI-LBPRGKRZSA-N 1 0 303.454 3.016 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC000247391924 432228215 /nfs/dbraw/zinc/22/82/15/432228215.db2.gz QMPXXKKIYGWRML-XJKSGUPXSA-N 1 0 308.853 3.118 10 0 DGAERO Cc1cccc(OCCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247427977 432228629 /nfs/dbraw/zinc/22/86/29/432228629.db2.gz OKZFDGLBAAQBEI-DLBZAZTESA-N 1 0 318.461 3.095 10 0 DGAERO CC[NH+](CC)CCCN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000131451245 196169930 /nfs/dbraw/zinc/16/99/30/196169930.db2.gz WDVJPVPDCNANFF-AWEZNQCLSA-N 1 0 321.465 3.036 10 0 DGAERO Cc1nn(-c2ccccc2)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247289809 432218458 /nfs/dbraw/zinc/21/84/58/432218458.db2.gz ZCECIVRBKGFDSU-FXAWDEMLSA-N 1 0 324.472 3.097 10 0 DGAERO CCOc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000247273475 432218774 /nfs/dbraw/zinc/21/87/74/432218774.db2.gz YEORKHBJEMVRKG-DLBZAZTESA-N 1 0 318.461 3.010 10 0 DGAERO Cc1nn(-c2ccccc2)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247289820 432219152 /nfs/dbraw/zinc/21/91/52/432219152.db2.gz ZCECIVRBKGFDSU-PXNSSMCTSA-N 1 0 324.472 3.097 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000182686917 432219338 /nfs/dbraw/zinc/21/93/38/432219338.db2.gz QTAFXZSIIUIROU-LSDHHAIUSA-N 1 0 307.434 3.302 10 0 DGAERO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000172531520 432220268 /nfs/dbraw/zinc/22/02/68/432220268.db2.gz JKLADFXHQPUYPN-LJQANCHMSA-N 1 0 314.473 3.198 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1c(F)cccc1F ZINC000247312593 432221723 /nfs/dbraw/zinc/22/17/23/432221723.db2.gz IISCFCYNJZEBFW-NEPJUHHUSA-N 1 0 309.360 3.055 10 0 DGAERO Cc1noc(C)c1C[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000191107816 432222137 /nfs/dbraw/zinc/22/21/37/432222137.db2.gz QFWQTUMVDOTNAZ-UHFFFAOYSA-N 1 0 319.836 3.093 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000247335357 432223458 /nfs/dbraw/zinc/22/34/58/432223458.db2.gz NETVQZCDGVGCHL-XJKSGUPXSA-N 1 0 323.868 3.210 10 0 DGAERO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000247333352 432223550 /nfs/dbraw/zinc/22/35/50/432223550.db2.gz NCCGQWHAJWSFAS-SZMVWBNQSA-N 1 0 302.462 3.271 10 0 DGAERO Cc1cccc(CSCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247356562 432224671 /nfs/dbraw/zinc/22/46/71/432224671.db2.gz JYHHFXMIWIWZIG-RDJZCZTQSA-N 1 0 320.502 3.169 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000131865852 196205541 /nfs/dbraw/zinc/20/55/41/196205541.db2.gz JBGDBNHSIKBAAR-ALOPSCKCSA-N 1 0 315.417 3.026 10 0 DGAERO c1cn(CC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000131949376 196212995 /nfs/dbraw/zinc/21/29/95/196212995.db2.gz CGGUFTBMBNGWCF-QGZVFWFLSA-N 1 0 321.428 3.153 10 0 DGAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000132981762 196302133 /nfs/dbraw/zinc/30/21/33/196302133.db2.gz QOMZITAGAKIFFS-HUUCEWRRSA-N 1 0 317.454 3.437 10 0 DGAERO CN1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CCC1=O ZINC000133024527 196306368 /nfs/dbraw/zinc/30/63/68/196306368.db2.gz SXONPVKFGZFQDZ-HKUYNNGSSA-N 1 0 312.388 3.126 10 0 DGAERO CC[C@H](C)NC(=O)CC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000133164240 196317360 /nfs/dbraw/zinc/31/73/60/196317360.db2.gz FUACBDXWZLHMLF-NSHDSACASA-N 1 0 308.809 3.481 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000134376626 196383748 /nfs/dbraw/zinc/38/37/48/196383748.db2.gz URUGOJCHYREKER-HNNXBMFYSA-N 1 0 324.490 3.299 10 0 DGAERO Cc1ccc(-c2cncc(C(=O)N3CCC([NH+](C)C)CC3)c2)cc1 ZINC000135437279 196473576 /nfs/dbraw/zinc/47/35/76/196473576.db2.gz VHMVYWZDIANJFB-UHFFFAOYSA-N 1 0 323.440 3.223 10 0 DGAERO c1ccc(OC2CC2)c(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000295732166 225173958 /nfs/dbraw/zinc/17/39/58/225173958.db2.gz MANMJQOLYNFEKL-UHFFFAOYSA-N 1 0 319.470 3.326 10 0 DGAERO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000111246005 545872116 /nfs/dbraw/zinc/87/21/16/545872116.db2.gz SIKMJDLQENVEMU-RNCFNFMXSA-N 1 0 320.742 3.059 10 0 DGAERO Clc1cnn([C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)c1 ZINC000290906388 222009650 /nfs/dbraw/zinc/00/96/50/222009650.db2.gz MOMJMEZCJALUEY-INIZCTEOSA-N 1 0 315.804 3.259 10 0 DGAERO Cc1cc(NC(=O)N2CCC([NH+](C)C)CC2)ccc1OC(C)C ZINC000173729283 228284494 /nfs/dbraw/zinc/28/44/94/228284494.db2.gz RAAMXSXFQLMXJX-UHFFFAOYSA-N 1 0 319.449 3.340 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000174572536 228291878 /nfs/dbraw/zinc/29/18/78/228291878.db2.gz VQMDTYREKLAKRT-WDEREUQCSA-N 1 0 313.804 3.426 10 0 DGAERO Cc1nn(C)c(C)c1C[NH2+]CCc1cn(C)c2cc(C)ccc12 ZINC000186545989 228407335 /nfs/dbraw/zinc/40/73/35/228407335.db2.gz DOCQZSUNIOONLA-UHFFFAOYSA-N 1 0 310.445 3.169 10 0 DGAERO CCc1noc(C)c1C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000299744747 229383586 /nfs/dbraw/zinc/38/35/86/229383586.db2.gz PPTKHLCNEJXBFL-CQSZACIVSA-N 1 0 314.433 3.068 10 0 DGAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000178716191 287599952 /nfs/dbraw/zinc/59/99/52/287599952.db2.gz UTAXDOSXGZAGKZ-GOEBONIOSA-N 1 0 304.434 3.103 10 0 DGAERO c1ccc(COc2cc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)ncn2)cc1 ZINC000413061272 230123597 /nfs/dbraw/zinc/12/35/97/230123597.db2.gz NADXHESQZPUFJP-SJORKVTESA-N 1 0 324.428 3.094 10 0 DGAERO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(OC(F)(F)F)cn2)C1 ZINC000302574143 230303290 /nfs/dbraw/zinc/30/32/90/230303290.db2.gz QLSGTWPHSSGRLL-MNOVXSKESA-N 1 0 303.328 3.265 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(Cc3nc4ccccc4s3)CC[C@H]21 ZINC000247423820 432228673 /nfs/dbraw/zinc/22/86/73/432228673.db2.gz ZGIQCOKLGJOKBP-UKRRQHHQSA-N 1 0 301.459 3.212 10 0 DGAERO C[C@@H]1COCCN1CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180091275 263569110 /nfs/dbraw/zinc/56/91/10/263569110.db2.gz HSACYUOOZQJTLP-CXAGYDPISA-N 1 0 308.853 3.101 10 0 DGAERO COc1ccccc1/C=C/C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000189007079 263706331 /nfs/dbraw/zinc/70/63/31/263706331.db2.gz DCYJWQDWUHAXIW-IUYMFKLXSA-N 1 0 311.425 3.210 10 0 DGAERO Cc1c([C@H](C)[NH2+]Cc2cccnc2N(C)C)cnn1C(C)(C)C ZINC000191171978 263749576 /nfs/dbraw/zinc/74/95/76/263749576.db2.gz MXXFNMDMHHITCG-ZDUSSCGKSA-N 1 0 315.465 3.258 10 0 DGAERO C[C@@](O)(C[NH2+]Cc1cc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000191668850 263760695 /nfs/dbraw/zinc/76/06/95/263760695.db2.gz VFWFOZKNPBMVKO-LJQANCHMSA-N 1 0 313.445 3.498 10 0 DGAERO Clc1ccc(C[NH2+]CCCc2ccc3c(c2)CCO3)nc1 ZINC000193308145 263792068 /nfs/dbraw/zinc/79/20/68/263792068.db2.gz ZCOMINMZNYMDKQ-UHFFFAOYSA-N 1 0 302.805 3.392 10 0 DGAERO c1[nH]c(C[NH2+]C[C@H]2COc3ccccc3O2)nc1-c1ccccc1 ZINC000346349953 264015606 /nfs/dbraw/zinc/01/56/06/264015606.db2.gz RHGWRURHIYSACU-HNNXBMFYSA-N 1 0 321.380 3.006 10 0 DGAERO Cc1nc(CN2C[C@@H](F)C[C@H]2CO)oc1-c1ccc(Cl)cc1 ZINC000346411889 264028360 /nfs/dbraw/zinc/02/83/60/264028360.db2.gz OIQURSCQPXMHME-KBPBESRZSA-N 1 0 324.783 3.208 10 0 DGAERO c1ccc(COCCC[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000347437263 264221690 /nfs/dbraw/zinc/22/16/90/264221690.db2.gz LDRNZQGDFJJMMU-LJQANCHMSA-N 1 0 303.446 3.486 10 0 DGAERO c1cn(CCCC2CC[NH+](CC[C@@H]3CCCCO3)CC2)cn1 ZINC000347620040 264253079 /nfs/dbraw/zinc/25/30/79/264253079.db2.gz XSAIGVSCUZWBJB-SFHVURJKSA-N 1 0 305.466 3.335 10 0 DGAERO c1cc2c(cc1[C@H]([NH2+]CC[C@@H]1CCCCO1)C1CC1)OCCO2 ZINC000347686611 264267039 /nfs/dbraw/zinc/26/70/39/264267039.db2.gz TUTIEOZYKVAMBN-QFBILLFUSA-N 1 0 317.429 3.458 10 0 DGAERO C[N@@H+](Cc1cscc1Br)C[C@@H]1CCCC[C@H]1O ZINC000348124967 264346455 /nfs/dbraw/zinc/34/64/55/264346455.db2.gz XJCVLAREZQLZJD-GXFFZTMASA-N 1 0 318.280 3.494 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@H+](C[C@@H]1CCO[C@H](C)C1)CC2 ZINC000352628327 265108759 /nfs/dbraw/zinc/10/87/59/265108759.db2.gz LWDVCRSTUVRPDZ-GDBMZVCRSA-N 1 0 301.430 3.105 10 0 DGAERO c1ccc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)nc1 ZINC000352660272 265120651 /nfs/dbraw/zinc/12/06/51/265120651.db2.gz RJGPOQPYOORXPJ-UHFFFAOYSA-N 1 0 307.441 3.356 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1c(F)ccc(Br)c1F ZINC000352894652 265219204 /nfs/dbraw/zinc/21/92/04/265219204.db2.gz SODZCUKHEYGJHJ-CYBMUJFWSA-N 1 0 322.193 3.224 10 0 DGAERO c1cc2c(cc1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)OCCO2 ZINC000353280618 265373239 /nfs/dbraw/zinc/37/32/39/265373239.db2.gz VYVMVDFCTRJHLV-GVDBMIGSSA-N 1 0 317.429 3.143 10 0 DGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CCCc4ccccc43)C2)cn1 ZINC000247440066 432230114 /nfs/dbraw/zinc/23/01/14/432230114.db2.gz NGVSHATXGDDIEC-APWZRJJASA-N 1 0 310.445 3.056 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccc(Cl)cc2)C1 ZINC000247468178 432231691 /nfs/dbraw/zinc/23/16/91/432231691.db2.gz UZRJAIUGQCGYGF-CZUORRHYSA-N 1 0 323.868 3.210 10 0 DGAERO c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)c1 ZINC000355224526 266005481 /nfs/dbraw/zinc/00/54/81/266005481.db2.gz QMPFPTOSKDTNKJ-QZTJIDSGSA-N 1 0 311.429 3.121 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(Br)cn1 ZINC000355488240 266090702 /nfs/dbraw/zinc/09/07/02/266090702.db2.gz UTIGXZUIQROQCS-GRYCIOLGSA-N 1 0 313.239 3.310 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000247452393 432232420 /nfs/dbraw/zinc/23/24/20/432232420.db2.gz SVJXWNWLFQYKJN-NJAFHUGGSA-N 1 0 306.494 3.297 10 0 DGAERO Cc1c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cnn1C(C)(C)C ZINC000191196032 432232679 /nfs/dbraw/zinc/23/26/79/432232679.db2.gz UXTQAOMXHINMCR-SJKOYZFVSA-N 1 0 319.424 3.470 10 0 DGAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000191187545 432232870 /nfs/dbraw/zinc/23/28/70/432232870.db2.gz QENCIZUZCUHNST-ILXRZTDVSA-N 1 0 309.356 3.398 10 0 DGAERO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1Cl ZINC000247483646 432233250 /nfs/dbraw/zinc/23/32/50/432233250.db2.gz SWSBHFUZWVFAFZ-OCCSQVGLSA-N 1 0 307.825 3.349 10 0 DGAERO Cc1ccc(C)c([C@@H]2C[N@H+](CC3CCOCC3)[C@@H](C)CO2)c1 ZINC000247484956 432233373 /nfs/dbraw/zinc/23/33/73/432233373.db2.gz KLUPGRDMKVEBNY-LPHOPBHVSA-N 1 0 303.446 3.492 10 0 DGAERO C[C@@H]1CCc2sc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2C1 ZINC000247473242 432233627 /nfs/dbraw/zinc/23/36/27/432233627.db2.gz SBXOMPYJSCPTBM-VNHYZAJKSA-N 1 0 320.502 3.428 10 0 DGAERO CC(C)(C)[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000247475810 432234091 /nfs/dbraw/zinc/23/40/91/432234091.db2.gz IFCBJMUZHAESJZ-ZFWWWQNUSA-N 1 0 321.490 3.325 10 0 DGAERO CCc1oc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1C ZINC000151298765 432236263 /nfs/dbraw/zinc/23/62/63/432236263.db2.gz DJGUCVVVFHNZBH-UHFFFAOYSA-N 1 0 300.402 3.359 10 0 DGAERO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1csc(Cl)c1 ZINC000191231060 432236844 /nfs/dbraw/zinc/23/68/44/432236844.db2.gz DUNVJEUXYMVSCY-LLVKDONJSA-N 1 0 308.834 3.482 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000247506603 432238070 /nfs/dbraw/zinc/23/80/70/432238070.db2.gz VIORGONASKKPIU-WFASDCNBSA-N 1 0 324.852 3.151 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/c2ccc3ccccc3n2)C1 ZINC000247512894 432238452 /nfs/dbraw/zinc/23/84/52/432238452.db2.gz YMRXGUWNYXADMV-BTIBXDGFSA-N 1 0 323.440 3.093 10 0 DGAERO Cc1ccc(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000247538635 432239583 /nfs/dbraw/zinc/23/95/83/432239583.db2.gz XWHKCJZHJPYDOR-DLBZAZTESA-N 1 0 318.461 3.013 10 0 DGAERO CC(C)Sc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247556387 432241612 /nfs/dbraw/zinc/24/16/12/432241612.db2.gz ZRRSXQBPCZITGP-ZBFHGGJFSA-N 1 0 318.486 3.496 10 0 DGAERO Cc1cccc([C@@H](C)[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000247564721 432241945 /nfs/dbraw/zinc/24/19/45/432241945.db2.gz RCUIRPONOVVNMC-AEFFLSMTSA-N 1 0 310.445 3.447 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)N1CCc2ccccc2C1 ZINC000172870544 432242641 /nfs/dbraw/zinc/24/26/41/432242641.db2.gz AKLRROZKZUFGMW-KBPBESRZSA-N 1 0 314.454 3.372 10 0 DGAERO CC(C)[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000172921059 432245420 /nfs/dbraw/zinc/24/54/20/432245420.db2.gz KMNUQYHKUPUUPQ-SFHVURJKSA-N 1 0 300.446 3.123 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191310823 432248188 /nfs/dbraw/zinc/24/81/88/432248188.db2.gz XZWWSAWOVHVBRG-QWHCGFSZSA-N 1 0 317.481 3.405 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@@H](Cc2ccccc2)C2CC2)cn1 ZINC000151479777 432250330 /nfs/dbraw/zinc/25/03/30/432250330.db2.gz QJUIIAGARKYSDW-IBGZPJMESA-N 1 0 318.424 3.378 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@H](Cc2ccccc2)C2CC2)cn1 ZINC000151479840 432250517 /nfs/dbraw/zinc/25/05/17/432250517.db2.gz QJUIIAGARKYSDW-LJQANCHMSA-N 1 0 318.424 3.378 10 0 DGAERO Cc1cc2oc(=O)cc(C[N@H+]3CCOCC[C@H]3C)c2cc1C ZINC000362471213 271022943 /nfs/dbraw/zinc/02/29/43/271022943.db2.gz GHBHPZIVZNLOMT-CQSZACIVSA-N 1 0 301.386 3.021 10 0 DGAERO Brc1ccc(CC[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000367612670 271051180 /nfs/dbraw/zinc/05/11/80/271051180.db2.gz DTJJNBJJPQVBNK-AWEZNQCLSA-N 1 0 320.234 3.382 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)CCC2 ZINC000367625867 271054619 /nfs/dbraw/zinc/05/46/19/271054619.db2.gz ZJAYCLVLAOIWMY-MJGOQNOKSA-N 1 0 310.445 3.214 10 0 DGAERO CC[C@@H](NC(=O)CN1CCOCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000367663352 271059371 /nfs/dbraw/zinc/05/93/71/271059371.db2.gz QGFSJSNXHQGWDQ-XJKSGUPXSA-N 1 0 324.852 3.018 10 0 DGAERO CC[C@H](NC(=O)CN1CCOCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000367663349 271060612 /nfs/dbraw/zinc/06/06/12/271060612.db2.gz QGFSJSNXHQGWDQ-BBRMVZONSA-N 1 0 324.852 3.018 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Br)cc1F ZINC000367689347 271063264 /nfs/dbraw/zinc/06/32/64/271063264.db2.gz PMEWRAPPYOPMCA-STRQVWJDSA-N 1 0 314.198 3.131 10 0 DGAERO CN(Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C1CC1 ZINC000368616190 271180860 /nfs/dbraw/zinc/18/08/60/271180860.db2.gz SBDIEMIRFPAVEC-QUCCMNQESA-N 1 0 324.472 3.287 10 0 DGAERO C[N@@H+]1CCCC12CCN(C(=O)c1cc(O)c3ccccc3c1)CC2 ZINC000369294945 271260878 /nfs/dbraw/zinc/26/08/78/271260878.db2.gz UBLPMDZRSADNMX-UHFFFAOYSA-N 1 0 324.424 3.246 10 0 DGAERO c1cc(-c2ccc(C[N@H+]3CCC[C@H](OCC4CC4)C3)o2)n[nH]1 ZINC000369491797 271282483 /nfs/dbraw/zinc/28/24/83/271282483.db2.gz SKEYBBCLZFJQSM-AWEZNQCLSA-N 1 0 301.390 3.061 10 0 DGAERO CCC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000370073736 271339232 /nfs/dbraw/zinc/33/92/32/271339232.db2.gz QNPBKCLCAZCEJJ-HNNXBMFYSA-N 1 0 312.417 3.251 10 0 DGAERO CSCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000370338350 271355844 /nfs/dbraw/zinc/35/58/44/271355844.db2.gz AZMOSSMODBXZAC-ZDUSSCGKSA-N 1 0 321.421 3.418 10 0 DGAERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)C3CCCCC3)C2)n1 ZINC000191325031 432251324 /nfs/dbraw/zinc/25/13/24/432251324.db2.gz SCNJVDASAGVIGV-WMZOPIPTSA-N 1 0 317.477 3.065 10 0 DGAERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)CC3CCCC3)C2)n1 ZINC000191325004 432251418 /nfs/dbraw/zinc/25/14/18/432251418.db2.gz DPXVSAYXTFZRPF-QZTJIDSGSA-N 1 0 317.477 3.065 10 0 DGAERO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000247924452 432253536 /nfs/dbraw/zinc/25/35/36/432253536.db2.gz CLTMQEFHPYXOEX-SPUZQDLCSA-N 1 0 300.446 3.374 10 0 DGAERO COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000183061144 432254848 /nfs/dbraw/zinc/25/48/48/432254848.db2.gz YHIDNANPBACVKI-SFHVURJKSA-N 1 0 324.424 3.073 10 0 DGAERO c1c(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)nnn1Cc1cccnc1 ZINC000183076654 432256057 /nfs/dbraw/zinc/25/60/57/432256057.db2.gz NMDDWHBPXFFYKS-LJQANCHMSA-N 1 0 323.444 3.044 10 0 DGAERO CCOc1ccc2c(c1)[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)CCO2 ZINC000090966622 273708429 /nfs/dbraw/zinc/70/84/29/273708429.db2.gz OQACLPYPSPZBPO-PBFPGSCMSA-N 1 0 305.418 3.455 10 0 DGAERO Cc1cccc(CCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000247969533 432257123 /nfs/dbraw/zinc/25/71/23/432257123.db2.gz FLNYXJRQLOYNJU-FPOVZHCZSA-N 1 0 322.452 3.489 10 0 DGAERO COC1([C@H](C)[NH2+]CC2(Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000453152405 274015474 /nfs/dbraw/zinc/01/54/74/274015474.db2.gz ULAGKPOTCMXMHZ-HNNXBMFYSA-N 1 0 321.436 3.322 10 0 DGAERO COCCC[C@@H](C)[NH2+][C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189455127 274022181 /nfs/dbraw/zinc/02/21/81/274022181.db2.gz ODRIJTGYWRVHMX-SJORKVTESA-N 1 0 318.461 3.122 10 0 DGAERO C[C@@H](C[NH+]1CCC(CCc2ccccc2)CC1)CS(C)(=O)=O ZINC000162666789 274217399 /nfs/dbraw/zinc/21/73/99/274217399.db2.gz NHEWTQRZXTYDTN-INIZCTEOSA-N 1 0 323.502 3.012 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccc(-n2cncn2)cc1 ZINC000158870009 274260811 /nfs/dbraw/zinc/26/08/11/274260811.db2.gz ULUULSCYUWXZIC-CHWSQXEVSA-N 1 0 311.364 3.213 10 0 DGAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncnc3ccc(F)cc32)CC1 ZINC000301751533 274292570 /nfs/dbraw/zinc/29/25/70/274292570.db2.gz BCFGNBSOBCCULB-CYBMUJFWSA-N 1 0 314.408 3.222 10 0 DGAERO C[C@H]1CCN(C(=O)Nc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000262481009 274558582 /nfs/dbraw/zinc/55/85/82/274558582.db2.gz JZGMJANGTXDOSL-QWRGUYRKSA-N 1 0 315.339 3.297 10 0 DGAERO C[C@H]1CCN(C(=O)Nc2cccc3ccsc32)[C@@H](C[NH3+])C1 ZINC000333194607 274558591 /nfs/dbraw/zinc/55/85/91/274558591.db2.gz VXDHOLOXERXKEX-WCQYABFASA-N 1 0 303.431 3.492 10 0 DGAERO Clc1cc(C[NH2+][C@H]2CCCSC2)cc2c1OCCCO2 ZINC000135698948 274879865 /nfs/dbraw/zinc/87/98/65/274879865.db2.gz FVPQZDJFOKKFRU-LBPRGKRZSA-N 1 0 313.850 3.487 10 0 DGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2c1cccc2Cl ZINC000237892950 275006572 /nfs/dbraw/zinc/00/65/72/275006572.db2.gz OMONVCUDSRPVBZ-CQDKDKBSSA-N 1 0 304.821 3.150 10 0 DGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2c(Cl)cccc2C1 ZINC000159305855 275006625 /nfs/dbraw/zinc/00/66/25/275006625.db2.gz PTWIFYGJVALLAM-ZLIFDBKOSA-N 1 0 318.848 3.145 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCc4ccccc4OC3)C2)cc1 ZINC000493914638 275067662 /nfs/dbraw/zinc/06/76/62/275067662.db2.gz AUTPISRPTNZSQS-PKOBYXMFSA-N 1 0 322.452 3.496 10 0 DGAERO c1cnc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC13CCSCC3)CC2 ZINC000421868262 275073494 /nfs/dbraw/zinc/07/34/94/275073494.db2.gz CRTKYZHMQXWEHH-JKSUJKDBSA-N 1 0 302.487 3.452 10 0 DGAERO Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCCOC1 ZINC000293592247 275368065 /nfs/dbraw/zinc/36/80/65/275368065.db2.gz FNHGRYWYFCEGMY-SCZZXKLOSA-N 1 0 302.237 3.267 10 0 DGAERO Brc1cccc2c1OCC[C@H]2[NH2+]C[C@@H]1CCCO1 ZINC000337368768 275375219 /nfs/dbraw/zinc/37/52/19/275375219.db2.gz NTGHGVOFLFFHJM-GXFFZTMASA-N 1 0 312.207 3.041 10 0 DGAERO Brc1cncc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000301392306 275377408 /nfs/dbraw/zinc/37/74/08/275377408.db2.gz HYNBKGUVPCVAHM-CQSZACIVSA-N 1 0 324.266 3.299 10 0 DGAERO COC(=O)CC[N@@H+](Cc1cccc2cnccc21)CC(C)C ZINC000183123625 432260552 /nfs/dbraw/zinc/26/05/52/432260552.db2.gz VPYQEMPTWCWLDW-UHFFFAOYSA-N 1 0 300.402 3.256 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000248433630 275494415 /nfs/dbraw/zinc/49/44/15/275494415.db2.gz DIQDZIAYZZFYRX-XKDXWZMYSA-N 1 0 302.418 3.253 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000261596022 275663099 /nfs/dbraw/zinc/66/30/99/275663099.db2.gz ADBGIIHGLIKZIJ-XYPHTWIQSA-N 1 0 302.418 3.333 10 0 DGAERO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261837694 275740864 /nfs/dbraw/zinc/74/08/64/275740864.db2.gz ACGWFOQBUHJHHI-QRVBRYPASA-N 1 0 302.462 3.057 10 0 DGAERO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261837686 275740936 /nfs/dbraw/zinc/74/09/36/275740936.db2.gz ACGWFOQBUHJHHI-IPMKNSEASA-N 1 0 302.462 3.057 10 0 DGAERO CC(C)c1csc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000194440607 275758813 /nfs/dbraw/zinc/75/88/13/275758813.db2.gz KWSJDGONFLQYOD-CYBMUJFWSA-N 1 0 322.478 3.359 10 0 DGAERO CC1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)OCCCO1 ZINC000190645854 275896351 /nfs/dbraw/zinc/89/63/51/275896351.db2.gz LCFLBVSNJGUCBE-QGZVFWFLSA-N 1 0 317.429 3.132 10 0 DGAERO CCC[C@H](C(=O)NCc1ccccc1N1CCCCC1)[NH+](C)C ZINC000183157038 276038689 /nfs/dbraw/zinc/03/86/89/276038689.db2.gz XEEDDUCYHWBSSP-GOSISDBHSA-N 1 0 317.477 3.023 10 0 DGAERO CCC[C@H](C(=O)N[C@@H]1CCOc2c(Cl)cccc21)[NH+](C)C ZINC000161745743 276038805 /nfs/dbraw/zinc/03/88/05/276038805.db2.gz UNBHCBQGSBPAKC-ZIAGYGMSSA-N 1 0 310.825 3.010 10 0 DGAERO CCC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000154988438 276039135 /nfs/dbraw/zinc/03/91/35/276039135.db2.gz XIYBYDKMYKJHLE-LSDHHAIUSA-N 1 0 304.434 3.135 10 0 DGAERO CC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@@H](C)C(C)C ZINC000120275420 276080283 /nfs/dbraw/zinc/08/02/83/276080283.db2.gz DRLQCULYFMIMQD-QWHCGFSZSA-N 1 0 308.388 3.154 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CCSc2ccccc21 ZINC000047869061 276112193 /nfs/dbraw/zinc/11/21/93/276112193.db2.gz MRRIJZGVMNKJHD-ZFWWWQNUSA-N 1 0 321.490 3.253 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000313034215 276139455 /nfs/dbraw/zinc/13/94/55/276139455.db2.gz KVELHKMOLNCCTF-KBPBESRZSA-N 1 0 310.235 3.451 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000177704300 276183533 /nfs/dbraw/zinc/18/35/33/276183533.db2.gz AHUFXEXVVDVSCH-IRXDYDNUSA-N 1 0 317.477 3.047 10 0 DGAERO CCC(CC)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)on1 ZINC000119348203 276213311 /nfs/dbraw/zinc/21/33/11/276213311.db2.gz JMUBPNNBFTUXLY-CQSZACIVSA-N 1 0 319.449 3.325 10 0 DGAERO CCC[C@H](C(=O)NC[C@@H](c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000188641000 276281848 /nfs/dbraw/zinc/28/18/48/276281848.db2.gz LQNINIUYLWJLFH-UONOGXRCSA-N 1 0 316.367 3.179 10 0 DGAERO CCN(C(=O)[C@@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccccc1 ZINC000194516878 276300306 /nfs/dbraw/zinc/30/03/06/276300306.db2.gz XTGRDVJLVRJFTR-OAHLLOKOSA-N 1 0 323.440 3.486 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1ccccc1C(F)(F)F ZINC000104847638 276335851 /nfs/dbraw/zinc/33/58/51/276335851.db2.gz SLIZAIFGOOMWPY-LBPRGKRZSA-N 1 0 316.367 3.094 10 0 DGAERO CC[NH+]1CCN(C(=O)/C=C\c2c(Cl)cccc2Cl)CC1 ZINC000033311095 276379955 /nfs/dbraw/zinc/37/99/55/276379955.db2.gz TYGMSZFTGLDWQR-SREVYHEPSA-N 1 0 313.228 3.171 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(C)cc1 ZINC000089733029 276441075 /nfs/dbraw/zinc/44/10/75/276441075.db2.gz ARMIUOCHSPDSDI-ZWKOTPCHSA-N 1 0 310.445 3.495 10 0 DGAERO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(Br)cnn1C ZINC000449437308 276466827 /nfs/dbraw/zinc/46/68/27/276466827.db2.gz YUDAGBQLYPTVLO-GHMZBOCLSA-N 1 0 300.244 3.099 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nc(CC)nc32)C12CCCC2 ZINC000245853305 276475015 /nfs/dbraw/zinc/47/50/15/276475015.db2.gz GQJVHDBIHRQMSR-RBSFLKMASA-N 1 0 318.465 3.003 10 0 DGAERO c1ncn2c1c(NC1CC[NH+](CC3CC3)CC1)nc1ccccc12 ZINC000623875292 429929087 /nfs/dbraw/zinc/92/90/87/429929087.db2.gz CHNXABPULHTACC-UHFFFAOYSA-N 1 0 321.428 3.169 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccsc1 ZINC000157421612 276801018 /nfs/dbraw/zinc/80/10/18/276801018.db2.gz VJJNOLUVMFUZOO-HNNXBMFYSA-N 1 0 303.431 3.043 10 0 DGAERO C1CC2(C1)[C@H]([NH2+][C@H]1CCC[C@H]([C@@H]3CCOC3)C1)[C@@H]1CCO[C@@H]12 ZINC000343455686 276851003 /nfs/dbraw/zinc/85/10/03/276851003.db2.gz MGSMDZOGUFPRDV-MULDDASSSA-N 1 0 305.462 3.129 10 0 DGAERO CN1C(=O)C[C@H]([NH2+]Cc2ccsc2)[C@H]1c1ccc(Cl)cc1 ZINC000092849314 277014979 /nfs/dbraw/zinc/01/49/79/277014979.db2.gz REBCDEPHWPUXGO-GOEBONIOSA-N 1 0 320.845 3.463 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC4(C3)CCCCC4)[C@@H]2C1 ZINC000421351570 277017815 /nfs/dbraw/zinc/01/78/15/277017815.db2.gz CGIVWMSJCHJURZ-JQHSSLGASA-N 1 0 304.478 3.336 10 0 DGAERO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000136700895 277075776 /nfs/dbraw/zinc/07/57/76/277075776.db2.gz DBZQKQXBPBWVND-QGZVFWFLSA-N 1 0 302.418 3.226 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000491490773 277605675 /nfs/dbraw/zinc/60/56/75/277605675.db2.gz OOKYWWYXEYKWGP-CVEARBPZSA-N 1 0 307.482 3.083 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccc(F)c(F)c1 ZINC000074399747 277611601 /nfs/dbraw/zinc/61/16/01/277611601.db2.gz GNXQMDOSNKKRAV-OLZOCXBDSA-N 1 0 310.388 3.407 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)CCCO2 ZINC000187854112 277989398 /nfs/dbraw/zinc/98/93/98/277989398.db2.gz ZOWSEHQHNZWLBI-GDBMZVCRSA-N 1 0 305.418 3.456 10 0 DGAERO CC(C)c1ccc(NC(=O)CN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118842517 278039952 /nfs/dbraw/zinc/03/99/52/278039952.db2.gz LNRXYCBRZOKOCB-INIZCTEOSA-N 1 0 317.477 3.022 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)C(C)C ZINC000185886179 278051529 /nfs/dbraw/zinc/05/15/29/278051529.db2.gz DFGZHBUSTHZIGK-HNNXBMFYSA-N 1 0 314.433 3.048 10 0 DGAERO CSCCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000134947887 278128259 /nfs/dbraw/zinc/12/82/59/278128259.db2.gz GFUVKQIAMLLKFT-HOTGVXAUSA-N 1 0 312.523 3.243 10 0 DGAERO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470947045 278134262 /nfs/dbraw/zinc/13/42/62/278134262.db2.gz MRNKUYXIAZBDBQ-OUCADQQQSA-N 1 0 320.399 3.439 10 0 DGAERO C[C@H](CC[NH2+][C@@H]1C[C@H](C)Sc2sccc21)[S@](C)=O ZINC000090517522 278174131 /nfs/dbraw/zinc/17/41/31/278174131.db2.gz AXTNVANMRIOWDH-NVGOIQCMSA-N 1 0 303.518 3.420 10 0 DGAERO C[C@H](CNC(=O)N1CCCC12CCC2)[N@H+](C)Cc1ccccc1 ZINC000445096762 278198849 /nfs/dbraw/zinc/19/88/49/278198849.db2.gz YSTHWHFDWJVGAP-MRXNPFEDSA-N 1 0 315.461 3.235 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000434914192 278223090 /nfs/dbraw/zinc/22/30/90/278223090.db2.gz PPRKTKYNMDGMPY-INIZCTEOSA-N 1 0 324.509 3.351 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000172194056 278325635 /nfs/dbraw/zinc/32/56/35/278325635.db2.gz SBKLVWAMBQDLEX-PBHICJAKSA-N 1 0 303.450 3.167 10 0 DGAERO C[C@H]([NH2+]C(C)(C)CNC(=O)Cc1ccccc1)c1ccccc1 ZINC000068385383 431125369 /nfs/dbraw/zinc/12/53/69/431125369.db2.gz ZYSFPCHTVZWBRO-INIZCTEOSA-N 1 0 310.441 3.475 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000294573229 279052689 /nfs/dbraw/zinc/05/26/89/279052689.db2.gz CANHMFJORJYXKV-FXBDTBDDSA-N 1 0 302.237 3.265 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180602968 279071735 /nfs/dbraw/zinc/07/17/35/279071735.db2.gz ZZUNJNSXFWBOEX-CMPLNLGQSA-N 1 0 319.478 3.006 10 0 DGAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190210145 279074715 /nfs/dbraw/zinc/07/47/15/279074715.db2.gz QWDHDCJGGDZYLW-NEPJUHHUSA-N 1 0 308.388 3.154 10 0 DGAERO Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)nc(-c2ccncc2)n1 ZINC000068658582 431134855 /nfs/dbraw/zinc/13/48/55/431134855.db2.gz ILEJKEHRPYHCFT-HNNXBMFYSA-N 1 0 323.400 3.155 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@@H]1C(C)C ZINC000185284059 279235922 /nfs/dbraw/zinc/23/59/22/279235922.db2.gz VBJDWHHDOTWLCT-QZTJIDSGSA-N 1 0 302.462 3.389 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC(C)(C)[C@H]2C(C)C)CC1 ZINC000458456816 279256615 /nfs/dbraw/zinc/25/66/15/279256615.db2.gz MIRYNORCKNSKJH-MRXNPFEDSA-N 1 0 309.498 3.184 10 0 DGAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000462000552 279377236 /nfs/dbraw/zinc/37/72/36/279377236.db2.gz DKZPGFALWAXSPY-PMPSAXMXSA-N 1 0 321.465 3.491 10 0 DGAERO CCOc1cccc([C@H](C)NC(=O)NC[C@@H](C)[NH+](CC)CC)c1 ZINC000068886742 431150940 /nfs/dbraw/zinc/15/09/40/431150940.db2.gz KPQZOQPGQLMJBW-CABCVRRESA-N 1 0 321.465 3.176 10 0 DGAERO Cc1ccccc1N1C=CN(CCc2nnc3n2CCCC3)C=C1 ZINC000001856116 431238919 /nfs/dbraw/zinc/23/89/19/431238919.db2.gz DDPVUCIZARVKGF-UHFFFAOYSA-N 1 0 321.428 3.230 10 0 DGAERO CC(C)[C@H]([NH3+])Cc1nc(-c2cc(Br)cs2)no1 ZINC000071306103 431276257 /nfs/dbraw/zinc/27/62/57/431276257.db2.gz MWZFNVLCUVTVKO-MRVPVSSYSA-N 1 0 316.224 3.086 10 0 DGAERO C[N@@H+]1CCC[C@H]1CCn1ccnc1-c1nc(-c2ccccc2)no1 ZINC000071314909 431278565 /nfs/dbraw/zinc/27/85/65/431278565.db2.gz RAPDIODUMRYFNU-HNNXBMFYSA-N 1 0 323.400 3.084 10 0 DGAERO c1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc(C2CC2)n1 ZINC000112555752 431285255 /nfs/dbraw/zinc/28/52/55/431285255.db2.gz OXXVSRAJLOBNCX-MRXNPFEDSA-N 1 0 314.477 3.446 10 0 DGAERO Clc1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)s1 ZINC000071819464 431294005 /nfs/dbraw/zinc/29/40/05/431294005.db2.gz RZOAATOZCSDXIS-UHFFFAOYSA-N 1 0 322.865 3.319 10 0 DGAERO Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000112697744 431296830 /nfs/dbraw/zinc/29/68/30/431296830.db2.gz GCDNUPIQXQUTNP-QGZVFWFLSA-N 1 0 314.433 3.001 10 0 DGAERO CC[C@H](OC1CCCC1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919133 431316189 /nfs/dbraw/zinc/31/61/89/431316189.db2.gz GFSRAEOMMROFGN-SFHVURJKSA-N 1 0 322.493 3.059 10 0 DGAERO Cc1ccccc1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877273 431321393 /nfs/dbraw/zinc/32/13/93/431321393.db2.gz CXDLLPYXDIYLGA-UHFFFAOYSA-N 1 0 301.434 3.335 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000113226148 431334111 /nfs/dbraw/zinc/33/41/11/431334111.db2.gz SHHSNGKDNYIZSE-CZUORRHYSA-N 1 0 318.848 3.067 10 0 DGAERO Cc1cc(C)n(-c2ccc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cc2)n1 ZINC000113270317 431340394 /nfs/dbraw/zinc/34/03/94/431340394.db2.gz ZLXIIFDJVOEVEF-PXNSSMCTSA-N 1 0 324.472 3.158 10 0 DGAERO COc1ccc(OCc2nc(C[NH2+][C@@H]3C[C@H]3C)cs2)cc1 ZINC000113335617 431342420 /nfs/dbraw/zinc/34/24/20/431342420.db2.gz NTLSXVUZXNODQB-IAQYHMDHSA-N 1 0 304.415 3.229 10 0 DGAERO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2OC)C1 ZINC000072838046 431349607 /nfs/dbraw/zinc/34/96/07/431349607.db2.gz VIPLUEGUVWFNHJ-UONOGXRCSA-N 1 0 322.474 3.240 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000072858105 431355361 /nfs/dbraw/zinc/35/53/61/431355361.db2.gz VUGXKIYRTGKJGD-GJZGRUSLSA-N 1 0 314.433 3.071 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000007816528 431364305 /nfs/dbraw/zinc/36/43/05/431364305.db2.gz YXMPIIDQLBZAAF-LJQANCHMSA-N 1 0 321.424 3.130 10 0 DGAERO COc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1C ZINC000007818313 431365995 /nfs/dbraw/zinc/36/59/95/431365995.db2.gz CSIPPSFMPQKDBT-KRWDZBQOSA-N 1 0 312.413 3.036 10 0 DGAERO C[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)[C@@H](C[NH3+])C1 ZINC000235625418 279731199 /nfs/dbraw/zinc/73/11/99/279731199.db2.gz RXENCUYTTDQUEY-WCBMZHEXSA-N 1 0 307.747 3.317 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1F ZINC000114226886 431379713 /nfs/dbraw/zinc/37/97/13/431379713.db2.gz JFBGUIHAETUPAW-KGLIPLIRSA-N 1 0 322.424 3.276 10 0 DGAERO Fc1cccc(CC[NH+](C[C@@H]2CCCO2)C[C@@H]2CCCO2)c1 ZINC000073804991 431383545 /nfs/dbraw/zinc/38/35/45/431383545.db2.gz ZVWHMHAVEZQFTO-ROUUACIJSA-N 1 0 307.409 3.028 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)cc2)cn1 ZINC000114483863 431389378 /nfs/dbraw/zinc/38/93/78/431389378.db2.gz DAGYBOOZINEDLR-GOSISDBHSA-N 1 0 307.401 3.323 10 0 DGAERO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nc2cc(F)ccc2n1CC ZINC000114459825 431392271 /nfs/dbraw/zinc/39/22/71/431392271.db2.gz UMLQAXBJNLEJOS-IAGOWNOFSA-N 1 0 319.424 3.321 10 0 DGAERO O=c1cc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)nc2sccn21 ZINC000114494864 431394473 /nfs/dbraw/zinc/39/44/73/431394473.db2.gz QEGSIHGVFGZVOZ-KRWDZBQOSA-N 1 0 315.442 3.078 10 0 DGAERO CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(F)(F)F)[NH+]1CCCCC1 ZINC000470777897 279791561 /nfs/dbraw/zinc/79/15/61/279791561.db2.gz CLWBVPOZSDVAMD-STQMWFEESA-N 1 0 308.388 3.200 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)Nc2ccccc2F)ccc1F ZINC000115635854 431466502 /nfs/dbraw/zinc/46/65/02/431466502.db2.gz LNUJCYUTUBKOFA-UHFFFAOYSA-N 1 0 319.355 3.348 10 0 DGAERO COc1ccc(OC)c(C[N@H+](CCc2ccccn2)C2CC2)c1 ZINC000075654246 431491868 /nfs/dbraw/zinc/49/18/68/431491868.db2.gz NBYYZPIOCSMDRX-UHFFFAOYSA-N 1 0 312.413 3.306 10 0 DGAERO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116249135 431497044 /nfs/dbraw/zinc/49/70/44/431497044.db2.gz NGKLDFWXTRGLIT-QFBILLFUSA-N 1 0 323.440 3.030 10 0 DGAERO CCCCOc1ccc(C[NH2+]Cc2ccnn2C)cc1OCC ZINC000075779996 431497656 /nfs/dbraw/zinc/49/76/56/431497656.db2.gz BHGYWOTUFOKDII-UHFFFAOYSA-N 1 0 317.433 3.288 10 0 DGAERO C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CCC1 ZINC000075842199 431500429 /nfs/dbraw/zinc/50/04/29/431500429.db2.gz MWOXMUYRLWQLCV-NSHDSACASA-N 1 0 304.217 3.217 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)cn1 ZINC000116311393 431503249 /nfs/dbraw/zinc/50/32/49/431503249.db2.gz YGOOMNYXVRUMNI-ZDUSSCGKSA-N 1 0 320.234 3.172 10 0 DGAERO C[C@@H](c1ccccc1F)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075968728 431512565 /nfs/dbraw/zinc/51/25/65/431512565.db2.gz BOFWRFVLTFVQRN-JKSUJKDBSA-N 1 0 306.425 3.073 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3cccnc3)C2)c1 ZINC000117379659 431559921 /nfs/dbraw/zinc/55/99/21/431559921.db2.gz ZWHLIAKJTZGACW-RDJZCZTQSA-N 1 0 311.429 3.410 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@@H](C)c3ccccc3)C2)n1 ZINC000116878892 431534605 /nfs/dbraw/zinc/53/46/05/431534605.db2.gz VRGCVMIFYALFDC-CRAIPNDOSA-N 1 0 312.461 3.411 10 0 DGAERO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)C2(OC)CCOCC2)C1 ZINC000453128576 280051121 /nfs/dbraw/zinc/05/11/21/280051121.db2.gz JMAUDJIYHIMTRI-QLFBSQMISA-N 1 0 301.496 3.224 10 0 DGAERO CC(C)[C@H](C(=O)N[C@@H](C(C)C)C(F)(F)F)[NH+]1CCCCC1 ZINC000470777896 280176760 /nfs/dbraw/zinc/17/67/60/280176760.db2.gz CLWBVPOZSDVAMD-OLZOCXBDSA-N 1 0 308.388 3.200 10 0 DGAERO CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000465363123 280298190 /nfs/dbraw/zinc/29/81/90/280298190.db2.gz INBOLAYNCUEATI-SJORKVTESA-N 1 0 309.498 3.329 10 0 DGAERO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3cccc(O)c3)C2=O)c(C)c1 ZINC000188942822 280386782 /nfs/dbraw/zinc/38/67/82/280386782.db2.gz AWFQEHCULHHXMV-GOSISDBHSA-N 1 0 324.424 3.213 10 0 DGAERO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H]3CCCSC3)C2=O)c(C)c1 ZINC000189453643 280386795 /nfs/dbraw/zinc/38/67/95/280386795.db2.gz OENFKNBDRQOFLN-HZPDHXFCSA-N 1 0 318.486 3.202 10 0 DGAERO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077483290 431599992 /nfs/dbraw/zinc/59/99/92/431599992.db2.gz VGYPFXRXYMHQHV-AWEZNQCLSA-N 1 0 319.401 3.284 10 0 DGAERO c1cnn(CC2CC[NH+](CCSc3ccccc3)CC2)c1 ZINC000117880530 431582969 /nfs/dbraw/zinc/58/29/69/431582969.db2.gz BCZGHSGSQMQUAL-UHFFFAOYSA-N 1 0 301.459 3.387 10 0 DGAERO Cn1cccc1C[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000119171592 431657319 /nfs/dbraw/zinc/65/73/19/431657319.db2.gz FBRPYCXLXPWZAY-CQSZACIVSA-N 1 0 319.399 3.058 10 0 DGAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000119194732 431659722 /nfs/dbraw/zinc/65/97/22/431659722.db2.gz UXFDHGVCLDNVFZ-HOTGVXAUSA-N 1 0 320.477 3.077 10 0 DGAERO Cc1ccc(C(=O)CCC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000077730533 431621477 /nfs/dbraw/zinc/62/14/77/431621477.db2.gz AOFXWHXFYQJEHU-QGZVFWFLSA-N 1 0 318.461 3.050 10 0 DGAERO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)Sc1ccccc1 ZINC000118968667 431630247 /nfs/dbraw/zinc/63/02/47/431630247.db2.gz WTLLADXXZRGQRQ-OHFALNGGSA-N 1 0 318.486 3.204 10 0 DGAERO c1csc([C@H]([NH2+][C@@H]2CCc3ncnn3C2)C2CCCC2)c1 ZINC000180579930 280505863 /nfs/dbraw/zinc/50/58/63/280505863.db2.gz QQDSRCPYYNUKQF-CZUORRHYSA-N 1 0 302.447 3.176 10 0 DGAERO NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4ccc(N)cc4)o3)nc2c1 ZINC000026149165 431668097 /nfs/dbraw/zinc/66/80/97/431668097.db2.gz FPLVVLOQPAJKFE-UHFFFAOYSA-N 1 0 317.352 3.356 10 0 DGAERO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000119332086 431678170 /nfs/dbraw/zinc/67/81/70/431678170.db2.gz HAHPTDUYTRXQQT-NUJGCVRESA-N 1 0 323.502 3.449 10 0 DGAERO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H]1CCCCO1 ZINC000120730175 431732758 /nfs/dbraw/zinc/73/27/58/431732758.db2.gz CRWWJPFHBHDONY-INIZCTEOSA-N 1 0 307.434 3.485 10 0 DGAERO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCC(=O)NC(C)C ZINC000121083811 431745468 /nfs/dbraw/zinc/74/54/68/431745468.db2.gz LNGZHFBFNDBXIN-CYBMUJFWSA-N 1 0 311.495 3.482 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000079253994 431719745 /nfs/dbraw/zinc/71/97/45/431719745.db2.gz LSXCODZLXINLCL-MRXNPFEDSA-N 1 0 305.466 3.257 10 0 DGAERO OCC1([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000121475606 431791404 /nfs/dbraw/zinc/79/14/04/431791404.db2.gz QPSOEVQSPHNNAK-UHFFFAOYSA-N 1 0 301.361 3.019 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCCN(Cc3c(F)cccc3F)C2)n1 ZINC000122027701 431810060 /nfs/dbraw/zinc/81/00/60/431810060.db2.gz BXOWGVPNORVOPQ-AWEZNQCLSA-N 1 0 320.387 3.085 10 0 DGAERO COC(=O)c1oc([C@@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)cc1C ZINC000122629051 431839938 /nfs/dbraw/zinc/83/99/38/431839938.db2.gz YCCGCGXYSJNKES-GFCCVEGCSA-N 1 0 317.389 3.038 10 0 DGAERO CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000036954872 431842207 /nfs/dbraw/zinc/84/22/07/431842207.db2.gz IXRMTMABCJWAEV-KGLIPLIRSA-N 1 0 312.479 3.344 10 0 DGAERO COC[C@](C)(CCO)[NH2+]CCCc1cccc2ccccc21 ZINC000085903338 431842604 /nfs/dbraw/zinc/84/26/04/431842604.db2.gz OIQXQPGFJYIKDV-IBGZPJMESA-N 1 0 301.430 3.150 10 0 DGAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000036959736 431843139 /nfs/dbraw/zinc/84/31/39/431843139.db2.gz OXZQJSMHOJOTEY-MNOVXSKESA-N 1 0 313.239 3.014 10 0 DGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000037126368 431843625 /nfs/dbraw/zinc/84/36/25/431843625.db2.gz BBDFCJPEVFRRCY-GHMZBOCLSA-N 1 0 300.805 3.387 10 0 DGAERO CC[C@](C)(O)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000087011485 431848257 /nfs/dbraw/zinc/84/82/57/431848257.db2.gz GSLJHELYKZXPDE-ZALBZXLWSA-N 1 0 312.251 3.446 10 0 DGAERO CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037799087 431850557 /nfs/dbraw/zinc/85/05/57/431850557.db2.gz QALPAMRLFKERFB-BPUTZDHNSA-N 1 0 306.837 3.219 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccs2)c(C)c1 ZINC000037890204 431851879 /nfs/dbraw/zinc/85/18/79/431851879.db2.gz ADUSENXGVJRSCH-CABCVRRESA-N 1 0 305.443 3.455 10 0 DGAERO C[C@](CO)([NH2+]Cc1ccccc1)c1ccc(Br)cc1 ZINC000038110865 431854893 /nfs/dbraw/zinc/85/48/93/431854893.db2.gz PLQRKAZQMGXAFH-MRXNPFEDSA-N 1 0 320.230 3.446 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)c1 ZINC000123112334 431855806 /nfs/dbraw/zinc/85/58/06/431855806.db2.gz QHJSEKKLSRNTPB-SFHVURJKSA-N 1 0 321.428 3.419 10 0 DGAERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1C[C@@H]1c1ccco1 ZINC000123241427 431859145 /nfs/dbraw/zinc/85/91/45/431859145.db2.gz GMNNPCUTAGRCGG-RCCFBDPRSA-N 1 0 324.424 3.336 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@H]2C)cc1 ZINC000123270128 431860102 /nfs/dbraw/zinc/86/01/02/431860102.db2.gz GPLYLEVTYKGCNX-ZIAGYGMSSA-N 1 0 312.417 3.436 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000089151296 431860409 /nfs/dbraw/zinc/86/04/09/431860409.db2.gz NVKQRHVSJSDRFS-BXKDBHETSA-N 1 0 305.752 3.192 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123302508 431860545 /nfs/dbraw/zinc/86/05/45/431860545.db2.gz VPSSFQXCKZTWBD-UKRRQHHQSA-N 1 0 302.418 3.113 10 0 DGAERO CC(C)(C)OC(=O)N1CCc2cc(NC3CC[NH2+]CC3)ccc21 ZINC000089209544 431861096 /nfs/dbraw/zinc/86/10/96/431861096.db2.gz CFQCDPGKDBBGAK-UHFFFAOYSA-N 1 0 317.433 3.148 10 0 DGAERO Cc1ccccc1OCCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123310478 431861508 /nfs/dbraw/zinc/86/15/08/431861508.db2.gz KXZRQSWAITZNGQ-IAGOWNOFSA-N 1 0 318.461 3.095 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123397904 431864123 /nfs/dbraw/zinc/86/41/23/431864123.db2.gz XGZWYNFYOFTYKB-DLBZAZTESA-N 1 0 320.477 3.093 10 0 DGAERO Cc1cc(NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)no1 ZINC000042759174 431864631 /nfs/dbraw/zinc/86/46/31/431864631.db2.gz KLHOGSBCJBCCTE-CQSZACIVSA-N 1 0 308.426 3.005 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)n1 ZINC000089518411 431869217 /nfs/dbraw/zinc/86/92/17/431869217.db2.gz HHEFCNGTTATRGY-CYBMUJFWSA-N 1 0 308.385 3.333 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2Cl)[C@H](C)C1 ZINC000122232801 431822796 /nfs/dbraw/zinc/82/27/96/431822796.db2.gz OTYPMXMTUQESOU-CJNGLKHVSA-N 1 0 308.853 3.071 10 0 DGAERO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036031653 431833182 /nfs/dbraw/zinc/83/31/82/431833182.db2.gz POZVYAGFBXLRNI-QGZVFWFLSA-N 1 0 313.397 3.188 10 0 DGAERO COCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)c1ccccc1 ZINC000036101002 431835163 /nfs/dbraw/zinc/83/51/63/431835163.db2.gz WQWWYQGDJMYFBK-QGZVFWFLSA-N 1 0 305.443 3.239 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CCN1C ZINC000123734981 431872938 /nfs/dbraw/zinc/87/29/38/431872938.db2.gz OPKGISLLWUMYEM-BBRMVZONSA-N 1 0 323.868 3.083 10 0 DGAERO CCCn1nc(C)c(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1C ZINC000092785521 431911975 /nfs/dbraw/zinc/91/19/75/431911975.db2.gz GFZCMUPOFZESNT-SFHVURJKSA-N 1 0 318.509 3.360 10 0 DGAERO Cc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000212102550 280843715 /nfs/dbraw/zinc/84/37/15/280843715.db2.gz CESCDVJNEHGMOZ-CJNGLKHVSA-N 1 0 306.837 3.253 10 0 DGAERO C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccs1 ZINC000047976414 431917858 /nfs/dbraw/zinc/91/78/58/431917858.db2.gz ORXIPPMKSBPKIE-KFWWJZLASA-N 1 0 323.506 3.476 10 0 DGAERO CCOc1ccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)c(C)c1 ZINC000048143598 431919579 /nfs/dbraw/zinc/91/95/79/431919579.db2.gz XTSMFLGEZWNCON-CQSZACIVSA-N 1 0 307.438 3.246 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1OC(C)C ZINC000048192846 431920781 /nfs/dbraw/zinc/92/07/81/431920781.db2.gz JWCMREFTIPMTHE-AWEZNQCLSA-N 1 0 307.438 3.326 10 0 DGAERO CC(C)[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(Br)cc1 ZINC000095088418 431921552 /nfs/dbraw/zinc/92/15/52/431921552.db2.gz OGVUDYHRUYOMCG-ZFWWWQNUSA-N 1 0 312.251 3.395 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095089104 431922288 /nfs/dbraw/zinc/92/22/88/431922288.db2.gz TYDYHDVNDQAIRX-ZIAGYGMSSA-N 1 0 307.438 3.455 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1 ZINC000095089203 431922424 /nfs/dbraw/zinc/92/24/24/431922424.db2.gz WQYNZBOJGYADEO-UONOGXRCSA-N 1 0 307.438 3.312 10 0 DGAERO C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1ccc(-c2ccccc2)cc1 ZINC000089683932 431874815 /nfs/dbraw/zinc/87/48/15/431874815.db2.gz OLLIIXHAPUWZMH-OAHLLOKOSA-N 1 0 322.408 3.153 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3cccc(F)c3)CCC2)CC[N@@H+]1C ZINC000123832039 431874953 /nfs/dbraw/zinc/87/49/53/431874953.db2.gz BUTPBZZHSJTKFQ-PBHICJAKSA-N 1 0 318.436 3.189 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(F)cc(F)c1 ZINC000089733197 431876395 /nfs/dbraw/zinc/87/63/95/431876395.db2.gz NUYGTOVTSDBERB-BLLLJJGKSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2csc(-c3ccoc3)n2)CC[N@@H+]1C ZINC000124044471 431881826 /nfs/dbraw/zinc/88/18/26/431881826.db2.gz GTFSKDJGZBXOPZ-WFASDCNBSA-N 1 0 305.447 3.318 10 0 DGAERO COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000124247400 431887086 /nfs/dbraw/zinc/88/70/86/431887086.db2.gz JLLDSXGSBHIAJI-POHZPAGDSA-N 1 0 301.361 3.143 10 0 DGAERO c1ccc(CC[C@@H]2CCCC[N@H+]2CCCN2CCOCC2)cc1 ZINC000090010514 431887889 /nfs/dbraw/zinc/88/78/89/431887889.db2.gz IGRSQEVTWFGOPP-FQEVSTJZSA-N 1 0 316.489 3.196 10 0 DGAERO CCOc1ccc([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124264198 431888166 /nfs/dbraw/zinc/88/81/66/431888166.db2.gz SZKWJMWTTQXHCY-ZDUSSCGKSA-N 1 0 301.434 3.329 10 0 DGAERO CCc1cc(N2CCC[C@H](C(=O)N(C)C)C2)c2ccccc2[nH+]1 ZINC000124302126 431890049 /nfs/dbraw/zinc/89/00/49/431890049.db2.gz GMXUYHBIDACPCS-AWEZNQCLSA-N 1 0 311.429 3.102 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)CC[N@@H+]1C ZINC000124518656 431896153 /nfs/dbraw/zinc/89/61/53/431896153.db2.gz BPISDGHRSCWZOQ-PEQKASONSA-N 1 0 304.478 3.144 10 0 DGAERO COc1cc([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)ccc1F ZINC000090851264 431896266 /nfs/dbraw/zinc/89/62/66/431896266.db2.gz ZRWPECVIDFQXQZ-LBPRGKRZSA-N 1 0 303.381 3.146 10 0 DGAERO CC[C@H](COC)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090853041 431896510 /nfs/dbraw/zinc/89/65/10/431896510.db2.gz MNEDVGRQHSYCKH-UHOFOFEASA-N 1 0 314.832 3.239 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1cccc(Cl)c1 ZINC000046280557 431896758 /nfs/dbraw/zinc/89/67/58/431896758.db2.gz SATFZTCEYSAEOZ-CYBMUJFWSA-N 1 0 311.857 3.212 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1cnn(C)c1 ZINC000090916525 431897186 /nfs/dbraw/zinc/89/71/86/431897186.db2.gz LTIXGINTCXFIPX-AFAVFJNCSA-N 1 0 318.852 3.170 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124591099 431899001 /nfs/dbraw/zinc/89/90/01/431899001.db2.gz XQWHWUDCZVQTRK-VYDXJSESSA-N 1 0 320.502 3.498 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000090938220 431899066 /nfs/dbraw/zinc/89/90/66/431899066.db2.gz CRLGQHDKIBQIEZ-HZPDHXFCSA-N 1 0 321.424 3.444 10 0 DGAERO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000124750867 431903321 /nfs/dbraw/zinc/90/33/21/431903321.db2.gz XTWWISLCXJKDGF-JSGCOSHPSA-N 1 0 310.388 3.407 10 0 DGAERO CCc1cc(N2CCC[C@@H](n3cncn3)C2)c2ccccc2[nH+]1 ZINC000124786583 431904249 /nfs/dbraw/zinc/90/42/49/431904249.db2.gz DGRXZSXHUITMTO-OAHLLOKOSA-N 1 0 307.401 3.230 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC000054805243 431972951 /nfs/dbraw/zinc/97/29/51/431972951.db2.gz RCGZJYRVWQTOGR-ZFWWWQNUSA-N 1 0 321.465 3.459 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)s1 ZINC000127767721 431980909 /nfs/dbraw/zinc/98/09/09/431980909.db2.gz DDKODYUOIOAZFT-KBPBESRZSA-N 1 0 319.430 3.005 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Cl)cc1Cl ZINC000125648995 431931831 /nfs/dbraw/zinc/93/18/31/431931831.db2.gz NHQHKECVPHMXCY-ABAIWWIYSA-N 1 0 318.244 3.433 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)cc1 ZINC000159197079 280942326 /nfs/dbraw/zinc/94/23/26/280942326.db2.gz SDMRLQXCCIYMRP-VQIMIIECSA-N 1 0 310.441 3.345 10 0 DGAERO CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000125735741 431934197 /nfs/dbraw/zinc/93/41/97/431934197.db2.gz QVACDXORSQQAIH-RBUKOAKNSA-N 1 0 305.462 3.023 10 0 DGAERO CC[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1cccs1 ZINC000049530540 431941820 /nfs/dbraw/zinc/94/18/20/431941820.db2.gz CMEAJJUVQBWHIZ-CYBMUJFWSA-N 1 0 320.483 3.435 10 0 DGAERO CCCn1cc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cn1 ZINC000126172438 431943848 /nfs/dbraw/zinc/94/38/48/431943848.db2.gz SXJDSBZKALMZIF-LJQANCHMSA-N 1 0 313.445 3.165 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(Cl)cc1Cl ZINC000050394918 431947355 /nfs/dbraw/zinc/94/73/55/431947355.db2.gz OTLNOQNQGHKXFZ-QWHCGFSZSA-N 1 0 301.217 3.313 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1 ZINC000050395105 431947726 /nfs/dbraw/zinc/94/77/26/431947726.db2.gz HWXKAIBPZMLVOZ-CHWSQXEVSA-N 1 0 301.217 3.313 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)[C@@H]1CCCO1 ZINC000126431476 431949840 /nfs/dbraw/zinc/94/98/40/431949840.db2.gz GZOMNODYBHOXPC-VGMNWLOBSA-N 1 0 305.241 3.124 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC000126504755 431951579 /nfs/dbraw/zinc/95/15/79/431951579.db2.gz QVKCACJQTNEARB-JTQLQIEISA-N 1 0 311.495 3.314 10 0 DGAERO O=C(CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21)Nc1ccccc1Cl ZINC000051996988 431953785 /nfs/dbraw/zinc/95/37/85/431953785.db2.gz ZJEBSIOEDOTRER-HOTGVXAUSA-N 1 0 322.836 3.312 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(I)cc1 ZINC000052274092 431955302 /nfs/dbraw/zinc/95/53/02/431955302.db2.gz QWIPRRGARJJWLY-HOTUBEGUSA-N 1 0 301.171 3.350 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OC(C)C)cc2F)C1 ZINC000052265187 431955732 /nfs/dbraw/zinc/95/57/32/431955732.db2.gz OMNQWLMAZTZISS-CYBMUJFWSA-N 1 0 323.412 3.219 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)s1 ZINC000127767543 431980460 /nfs/dbraw/zinc/98/04/60/431980460.db2.gz DDKODYUOIOAZFT-KGLIPLIRSA-N 1 0 319.430 3.005 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000052594478 431957467 /nfs/dbraw/zinc/95/74/67/431957467.db2.gz NEXHPGKNBXLESD-IAGOWNOFSA-N 1 0 301.434 3.017 10 0 DGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc(Br)s1 ZINC000052762152 431958725 /nfs/dbraw/zinc/95/87/25/431958725.db2.gz LCFJKFUNFPVLLG-JTQLQIEISA-N 1 0 304.253 3.248 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)[C@H](C)C1 ZINC000127297564 431968279 /nfs/dbraw/zinc/96/82/79/431968279.db2.gz YSZISLGBKUBGCR-BXKDBHETSA-N 1 0 318.248 3.124 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)[C@H](C)C1 ZINC000127275791 431968394 /nfs/dbraw/zinc/96/83/94/431968394.db2.gz ULCOIAAPIFOXQV-KDOFPFPSSA-N 1 0 313.445 3.279 10 0 DGAERO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000054322199 431969697 /nfs/dbraw/zinc/96/96/97/431969697.db2.gz PGAWBQLPWOYFLG-IRXDYDNUSA-N 1 0 324.509 3.303 10 0 DGAERO CC(C)COC1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000054325796 431969779 /nfs/dbraw/zinc/96/97/79/431969779.db2.gz CLZXURQIHCVSGH-UHFFFAOYSA-N 1 0 322.424 3.291 10 0 DGAERO CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000054339956 431970112 /nfs/dbraw/zinc/97/01/12/431970112.db2.gz FSIHTRFNKSJTDT-GOEBONIOSA-N 1 0 309.450 3.254 10 0 DGAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)CSc1ccc(Cl)cc1)C2 ZINC000100243774 431981253 /nfs/dbraw/zinc/98/12/53/431981253.db2.gz XUJCMFOKNVUYGL-ZSOGYDGISA-N 1 0 324.877 3.174 10 0 DGAERO Cc1nc(Cl)ccc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000127938291 431984838 /nfs/dbraw/zinc/98/48/38/431984838.db2.gz HFUIOSVHZITHQS-CQSZACIVSA-N 1 0 321.852 3.134 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)CCCO2 ZINC000090178429 281122936 /nfs/dbraw/zinc/12/29/36/281122936.db2.gz RPPFZZBODSZADK-GDBMZVCRSA-N 1 0 316.445 3.198 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3ncccn3)C1)CC2 ZINC000178194338 281125672 /nfs/dbraw/zinc/12/56/72/281125672.db2.gz BJVZNQMUWTYFMB-FUHWJXTLSA-N 1 0 308.429 3.031 10 0 DGAERO CC(C)n1ncc2cc(CN(C)C[C@@H]3CCCO3)c(Cl)nc21 ZINC000128000777 431985684 /nfs/dbraw/zinc/98/56/84/431985684.db2.gz UYSJCYKYESZICC-AWEZNQCLSA-N 1 0 322.840 3.276 10 0 DGAERO C[N@@H+](Cc1ccccc1OCc1ccccn1)C[C@@H]1CCCO1 ZINC000128040798 431986141 /nfs/dbraw/zinc/98/61/41/431986141.db2.gz BDTNRWLZNYGLRI-SFHVURJKSA-N 1 0 312.413 3.271 10 0 DGAERO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000055898568 431986893 /nfs/dbraw/zinc/98/68/93/431986893.db2.gz QYJCHISOJJYOMS-UHFFFAOYSA-N 1 0 316.376 3.295 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C(C)C)[NH+]2CCCC2)o1 ZINC000101620654 431987431 /nfs/dbraw/zinc/98/74/31/431987431.db2.gz SIGNDQGZPASCMO-HUUCEWRRSA-N 1 0 307.438 3.069 10 0 DGAERO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C(C)C)[NH+]2CCCC2)o1 ZINC000101620649 431987502 /nfs/dbraw/zinc/98/75/02/431987502.db2.gz SIGNDQGZPASCMO-GJZGRUSLSA-N 1 0 307.438 3.069 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNCc1cc(Br)cs1 ZINC000128222529 431989829 /nfs/dbraw/zinc/98/98/29/431989829.db2.gz BZFHTFKZODYCPX-JTQLQIEISA-N 1 0 305.285 3.331 10 0 DGAERO Cc1ccc(CC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)s1 ZINC000057048199 431990305 /nfs/dbraw/zinc/99/03/05/431990305.db2.gz DPIKHSPSAWXJCR-SUMWQHHRSA-N 1 0 308.491 3.226 10 0 DGAERO Cc1cccc2c1OCC[C@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000189573979 281287824 /nfs/dbraw/zinc/28/78/24/281287824.db2.gz PEFNHDGIVVNHQJ-NVXWUHKLSA-N 1 0 316.445 3.199 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000248397959 281308471 /nfs/dbraw/zinc/30/84/71/281308471.db2.gz SOPXXMDRPDUSPR-SJORKVTESA-N 1 0 312.413 3.236 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)n(C2CC2)c1C ZINC000246935614 288316444 /nfs/dbraw/zinc/31/64/44/288316444.db2.gz KGMNXJBVYRHPDA-RDJZCZTQSA-N 1 0 315.461 3.139 10 0 DGAERO COCc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000248134981 432269832 /nfs/dbraw/zinc/26/98/32/432269832.db2.gz XENDQGWUIKDEGH-RTBURBONSA-N 1 0 324.424 3.008 10 0 DGAERO Cc1ccc2c(C[NH2+][C@@H](C)[C@H]3CCCO3)cc(=O)oc2c1C ZINC000183224900 432270912 /nfs/dbraw/zinc/27/09/12/432270912.db2.gz JFCDZLRNTXAVQE-XJKSGUPXSA-N 1 0 301.386 3.067 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc2c(c1)OCCCO2 ZINC000248157929 432271795 /nfs/dbraw/zinc/27/17/95/432271795.db2.gz RRCJBCXGQBMUDO-MZTNWIODSA-N 1 0 317.429 3.312 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)CCCc3cccs3)CC[C@H]21 ZINC000248183703 432274128 /nfs/dbraw/zinc/27/41/28/432274128.db2.gz WXNNQFNLZTYBBJ-GOEBONIOSA-N 1 0 306.475 3.014 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)ccc1F ZINC000191574523 432279331 /nfs/dbraw/zinc/27/93/31/432279331.db2.gz HUKNGLMMPDKWBI-RHSMWYFYSA-N 1 0 317.404 3.397 10 0 DGAERO CN(CC1CC[NH+](C)CC1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000151833947 432279903 /nfs/dbraw/zinc/27/99/03/432279903.db2.gz NGEJJEQHPBXCLO-UHFFFAOYSA-N 1 0 324.415 3.088 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)CC2 ZINC000183293280 432280608 /nfs/dbraw/zinc/28/06/08/432280608.db2.gz YXFMDNSYSLFWRF-NEPJUHHUSA-N 1 0 320.387 3.345 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)o1 ZINC000173464361 432281049 /nfs/dbraw/zinc/28/10/49/432281049.db2.gz FLHXIFUYUHJAOV-XHSDSOJGSA-N 1 0 319.449 3.306 10 0 DGAERO Cc1cc(Cl)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1C ZINC000248397320 432285022 /nfs/dbraw/zinc/28/50/22/432285022.db2.gz HWZAPNFVJZQUSG-ZIAGYGMSSA-N 1 0 306.837 3.266 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000173562089 432287377 /nfs/dbraw/zinc/28/73/77/432287377.db2.gz HNXCSTKDIZBGBK-HNNXBMFYSA-N 1 0 315.392 3.035 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000173562108 432287437 /nfs/dbraw/zinc/28/74/37/432287437.db2.gz HNXCSTKDIZBGBK-OAHLLOKOSA-N 1 0 315.392 3.035 10 0 DGAERO CCSCC[C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000173563271 432287459 /nfs/dbraw/zinc/28/74/59/432287459.db2.gz QNWSXMDRWHVVTB-GDBMZVCRSA-N 1 0 323.506 3.120 10 0 DGAERO CCSCC[C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000173563283 432287568 /nfs/dbraw/zinc/28/75/68/432287568.db2.gz QNWSXMDRWHVVTB-GOEBONIOSA-N 1 0 323.506 3.120 10 0 DGAERO Cn1nccc1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191694865 432292333 /nfs/dbraw/zinc/29/23/33/432292333.db2.gz ZZQDVQXSKMRJSN-UHFFFAOYSA-N 1 0 320.643 3.187 10 0 DGAERO CCn1cc([C@@H]2C[N@H+](C[C@H]3C(C)=CCC[C@H]3C)CCO2)cn1 ZINC000191699440 432292458 /nfs/dbraw/zinc/29/24/58/432292458.db2.gz UNLRJDDXNQJBNI-NJAFHUGGSA-N 1 0 303.450 3.269 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+]([C@H](C)CCc3cccc(F)c3)[C@H]2C1 ZINC000183423399 432293451 /nfs/dbraw/zinc/29/34/51/432293451.db2.gz BCTUQADQKDNAAF-OAOYMFHYSA-N 1 0 321.436 3.415 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000183475667 432295909 /nfs/dbraw/zinc/29/59/09/432295909.db2.gz DYECGVOQEJTOML-CQSZACIVSA-N 1 0 313.426 3.115 10 0 DGAERO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)c1cccc(Cl)c1 ZINC000183471548 432296011 /nfs/dbraw/zinc/29/60/11/432296011.db2.gz KWGXTQZTCOEVMG-NSHDSACASA-N 1 0 303.793 3.292 10 0 DGAERO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000248477188 432296149 /nfs/dbraw/zinc/29/61/49/432296149.db2.gz YOPGLIHNJJCDBP-QRQLOZEOSA-N 1 0 314.473 3.451 10 0 DGAERO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)c1cccc(Cl)c1 ZINC000183471575 432296335 /nfs/dbraw/zinc/29/63/35/432296335.db2.gz KWGXTQZTCOEVMG-LLVKDONJSA-N 1 0 303.793 3.292 10 0 DGAERO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248504401 432296385 /nfs/dbraw/zinc/29/63/85/432296385.db2.gz VLWFTFPIFDEVII-DFEOGRTESA-N 1 0 300.446 3.230 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000191754347 432297641 /nfs/dbraw/zinc/29/76/41/432297641.db2.gz YZMWECJXTVUXQS-ZANVPECISA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000191754334 432297839 /nfs/dbraw/zinc/29/78/39/432297839.db2.gz YZMWECJXTVUXQS-RNCFNFMXSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1cc([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)c(C)s1 ZINC000183505929 432298799 /nfs/dbraw/zinc/29/87/99/432298799.db2.gz BUAMAEONQVPWII-NSHDSACASA-N 1 0 303.431 3.317 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)c(C)s1 ZINC000183505910 432298988 /nfs/dbraw/zinc/29/89/88/432298988.db2.gz BUAMAEONQVPWII-LLVKDONJSA-N 1 0 303.431 3.317 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000191756941 432299851 /nfs/dbraw/zinc/29/98/51/432299851.db2.gz UCFRJXPWLRQMJZ-NOZJJQNGSA-N 1 0 302.187 3.103 10 0 DGAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCC1=CCCC1 ZINC000152063623 432300981 /nfs/dbraw/zinc/30/09/81/432300981.db2.gz JTWYHBZUJIAEEX-UHFFFAOYSA-N 1 0 315.461 3.260 10 0 DGAERO Cc1ccccc1-c1noc([C@H](C)N2CCC([NH+](C)C)CC2)n1 ZINC000173865906 432303916 /nfs/dbraw/zinc/30/39/16/432303916.db2.gz XWAPGKSMAMJYMT-AWEZNQCLSA-N 1 0 314.433 3.132 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1CCO[C@H]1CCCCO1)c1ccccc1 ZINC000248562277 432301989 /nfs/dbraw/zinc/30/19/89/432301989.db2.gz JVFURGOHSRMWTM-QRVBRYPASA-N 1 0 319.445 3.118 10 0 DGAERO Cc1csc([C@@H]([NH2+]C[C@@](C)(O)c2ccccc2)C2CC2)n1 ZINC000183542329 432302354 /nfs/dbraw/zinc/30/23/54/432302354.db2.gz WMFSCHPQQSHXFE-DOTOQJQBSA-N 1 0 302.443 3.400 10 0 DGAERO CC[C@H](NC(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000057796616 431993804 /nfs/dbraw/zinc/99/38/04/431993804.db2.gz DNTKBABLQALYQV-IRXDYDNUSA-N 1 0 303.450 3.230 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cnn2c1CCCC2 ZINC000128440886 431994826 /nfs/dbraw/zinc/99/48/26/431994826.db2.gz VIOMJABTCUYBCC-UHFFFAOYSA-N 1 0 324.428 3.068 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128445559 431994911 /nfs/dbraw/zinc/99/49/11/431994911.db2.gz ICQQSZMVVSRYPI-MRXNPFEDSA-N 1 0 321.428 3.108 10 0 DGAERO Cc1ccc(CC(=O)N(CC[NH+](C)C)c2ccccc2)s1 ZINC000058296830 431995274 /nfs/dbraw/zinc/99/52/74/431995274.db2.gz BGPFBEVHZBKYLW-UHFFFAOYSA-N 1 0 302.443 3.194 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)NC2CCC(C)CC2)cc1F ZINC000102699582 431996888 /nfs/dbraw/zinc/99/68/88/431996888.db2.gz NQOXCHLABFYBQL-OWYJLGKBSA-N 1 0 322.424 3.180 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)nc2ccccc12 ZINC000128655507 431997636 /nfs/dbraw/zinc/99/76/36/431997636.db2.gz NMGWRGDITDOXHA-ROUUACIJSA-N 1 0 321.428 3.408 10 0 DGAERO c1cnn([C@H]2CCCC[C@@H]2[NH2+]Cc2nnc(-c3ccccc3)o2)c1 ZINC000128679492 431998273 /nfs/dbraw/zinc/99/82/73/431998273.db2.gz OYHRYOSATIUMJJ-HOTGVXAUSA-N 1 0 323.400 3.207 10 0 DGAERO CCc1ccc2c(C[NH2+][C@H](C)[C@H]3CCCO3)cc(=O)oc2c1 ZINC000183127275 432261230 /nfs/dbraw/zinc/26/12/30/432261230.db2.gz JDAQXNZTSYACMI-MLGOLLRUSA-N 1 0 301.386 3.013 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc4ccccc43)CC[C@H]21 ZINC000247998721 432262149 /nfs/dbraw/zinc/26/21/49/432262149.db2.gz KDTCWYSLLLURPN-QFBILLFUSA-N 1 0 308.425 3.396 10 0 DGAERO CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248043004 432262761 /nfs/dbraw/zinc/26/27/61/432262761.db2.gz MHCCGLVSMUYEPG-MJGOQNOKSA-N 1 0 324.424 3.261 10 0 DGAERO COc1ccccc1-c1nc(C[NH2+][C@H](C)[C@H]2CCCO2)cs1 ZINC000183152567 432263579 /nfs/dbraw/zinc/26/35/79/432263579.db2.gz BXNXTQQHLUGJSL-IUODEOHRSA-N 1 0 318.442 3.476 10 0 DGAERO CCC1(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC1 ZINC000248035718 432264279 /nfs/dbraw/zinc/26/42/79/432264279.db2.gz LEPMTHMZUNYYMW-HOTGVXAUSA-N 1 0 301.434 3.064 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000248026610 432264288 /nfs/dbraw/zinc/26/42/88/432264288.db2.gz PFRPCSKZZOSFFA-GUYCJALGSA-N 1 0 302.374 3.062 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000248062494 432264909 /nfs/dbraw/zinc/26/49/09/432264909.db2.gz YRMNJRJKRZRSKY-SUNYJGFJSA-N 1 0 303.450 3.024 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000183177242 432265080 /nfs/dbraw/zinc/26/50/80/432265080.db2.gz NFGFYBSIAWGCPQ-CABZTGNLSA-N 1 0 317.216 3.089 10 0 DGAERO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCCO1 ZINC000183196938 432267839 /nfs/dbraw/zinc/26/78/39/432267839.db2.gz PAIGHAZAZFVTRR-BMIGLBTASA-N 1 0 308.328 3.277 10 0 DGAERO c1nc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)co1 ZINC000191948562 432316549 /nfs/dbraw/zinc/31/65/49/432316549.db2.gz QQZADIKSNHPRNZ-LBPRGKRZSA-N 1 0 303.431 3.390 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccncc1 ZINC000174104716 432321417 /nfs/dbraw/zinc/32/14/17/432321417.db2.gz RQCZWOBCFQNLHT-SUMWQHHRSA-N 1 0 313.376 3.067 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)CC(F)(F)F ZINC000248861908 432324158 /nfs/dbraw/zinc/32/41/58/432324158.db2.gz AJGVHANVRONIHM-KGLIPLIRSA-N 1 0 305.315 3.146 10 0 DGAERO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000174147990 432324557 /nfs/dbraw/zinc/32/45/57/432324557.db2.gz MKTHEMGPIMFESY-HNNXBMFYSA-N 1 0 320.502 3.405 10 0 DGAERO CC[NH+](CC)CCCNc1cc(-c2nc(C(C)C)no2)ccn1 ZINC000192037452 432327620 /nfs/dbraw/zinc/32/76/20/432327620.db2.gz UFAWXFMRQYSTLN-UHFFFAOYSA-N 1 0 317.437 3.399 10 0 DGAERO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183832952 432329558 /nfs/dbraw/zinc/32/95/58/432329558.db2.gz UTJLWIABXAMTST-HNNXBMFYSA-N 1 0 322.412 3.496 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c(OC)c1 ZINC000248913075 432329550 /nfs/dbraw/zinc/32/95/50/432329550.db2.gz VSABTSFFLJMGAR-DXCKQFNASA-N 1 0 305.418 3.312 10 0 DGAERO CC[C@@H](C(=O)OC(C)(C)C)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000248911974 432329665 /nfs/dbraw/zinc/32/96/65/432329665.db2.gz YKRBTGQTRZHUDN-PMPSAXMXSA-N 1 0 310.482 3.054 10 0 DGAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCOc1ccc(F)cc1F ZINC000183850443 432330478 /nfs/dbraw/zinc/33/04/78/432330478.db2.gz VCJZSVFGXJLQFE-LLVKDONJSA-N 1 0 315.360 3.054 10 0 DGAERO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000248970921 432330500 /nfs/dbraw/zinc/33/05/00/432330500.db2.gz GQCVASWJXUEXGR-IIYDPXPESA-N 1 0 300.406 3.228 10 0 DGAERO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)c1c(F)cccc1Cl ZINC000183848265 432330630 /nfs/dbraw/zinc/33/06/30/432330630.db2.gz KEEBWDDTVWFNML-SNVBAGLBSA-N 1 0 321.783 3.431 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccsc2)[C@H]1c1ccccc1 ZINC000249009966 432332378 /nfs/dbraw/zinc/33/23/78/432332378.db2.gz INIAVSOLHHHGRU-HUUCEWRRSA-N 1 0 301.415 3.315 10 0 DGAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000183913673 432333534 /nfs/dbraw/zinc/33/35/34/432333534.db2.gz UYNXQNCCZBMEEL-CYBMUJFWSA-N 1 0 307.438 3.208 10 0 DGAERO Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)c2cc(F)ccc2F)s1 ZINC000183927342 432333970 /nfs/dbraw/zinc/33/39/70/432333970.db2.gz SHZHFWXGWAJMOG-CYBMUJFWSA-N 1 0 312.385 3.288 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@H]1c1ccccc1 ZINC000249015583 432334807 /nfs/dbraw/zinc/33/48/07/432334807.db2.gz PLNJTNJCMRVGAJ-FZKQIMNGSA-N 1 0 308.385 3.268 10 0 DGAERO Fc1cccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000152488600 432335542 /nfs/dbraw/zinc/33/55/42/432335542.db2.gz LZWYYKATWYDWNB-AWEZNQCLSA-N 1 0 300.381 3.132 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)C12CCOCC2 ZINC000249064408 432336007 /nfs/dbraw/zinc/33/60/07/432336007.db2.gz ZDNIMKXVWMZJHO-QXRTWZOPSA-N 1 0 319.445 3.467 10 0 DGAERO C[C@H](C[NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000174322722 432336708 /nfs/dbraw/zinc/33/67/08/432336708.db2.gz LFOFHXVLCWLJCR-HWPZZCPQSA-N 1 0 322.330 3.024 10 0 DGAERO FC(F)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000183946627 432338800 /nfs/dbraw/zinc/33/88/00/432338800.db2.gz HUXXLKHIMZKVPD-CQSZACIVSA-N 1 0 306.360 3.128 10 0 DGAERO CSC[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000249196108 432341148 /nfs/dbraw/zinc/34/11/48/432341148.db2.gz BRSIGOAGTYWLLF-KZNAEPCWSA-N 1 0 323.502 3.079 10 0 DGAERO COc1cccc(CN2CC[C@@H](C)[C@H](OC)C2)c1OC(F)F ZINC000249228954 432342981 /nfs/dbraw/zinc/34/29/81/432342981.db2.gz VIJBSMZEKXNESB-BXUZGUMPSA-N 1 0 315.360 3.153 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000249283221 432343090 /nfs/dbraw/zinc/34/30/90/432343090.db2.gz HJDDDAASLMTZMO-FGTMMUONSA-N 1 0 300.446 3.059 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(Cl)cc3F)[C@H]2C1 ZINC000249291959 432344923 /nfs/dbraw/zinc/34/49/23/432344923.db2.gz ANMDAJSFSWMMTA-KBMXLJTQSA-N 1 0 313.800 3.247 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1C ZINC000249332495 432346150 /nfs/dbraw/zinc/34/61/50/432346150.db2.gz XLWXSACLDCZIKJ-RYRKJORJSA-N 1 0 321.509 3.329 10 0 DGAERO c1ccc(OCCCCC[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000249459845 432347803 /nfs/dbraw/zinc/34/78/03/432347803.db2.gz FEYFTEPSVJLMSF-MSOLQXFVSA-N 1 0 321.486 3.442 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@@H]1c1ccsc1 ZINC000249539811 432350946 /nfs/dbraw/zinc/35/09/46/432350946.db2.gz DPGWSDDWSCBJDU-UONOGXRCSA-N 1 0 308.834 3.004 10 0 DGAERO OC[C@H]1C[N@H+](Cc2c(F)cccc2F)C[C@@H]1c1ccsc1 ZINC000249534086 432351103 /nfs/dbraw/zinc/35/11/03/432351103.db2.gz BXQACIHSOQABMU-CHWSQXEVSA-N 1 0 309.381 3.234 10 0 DGAERO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000152755929 432352390 /nfs/dbraw/zinc/35/23/90/432352390.db2.gz VMGTZKUXBATHNE-OAHLLOKOSA-N 1 0 314.404 3.443 10 0 DGAERO CC(C)[C@@H]1CN(Cc2nnc(-c3ccccc3)n2C)CCS1 ZINC000173860439 432304143 /nfs/dbraw/zinc/30/41/43/432304143.db2.gz QMKLTHMTBQSQAG-HNNXBMFYSA-N 1 0 316.474 3.056 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@H](CSc2ccccc2)C1)C(F)(F)F ZINC000248600037 432304640 /nfs/dbraw/zinc/30/46/40/432304640.db2.gz UVDLAUDRIWQHEN-WCQYABFASA-N 1 0 305.365 3.024 10 0 DGAERO CC(C)[C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000173888607 432306270 /nfs/dbraw/zinc/30/62/70/432306270.db2.gz CXKFLZMSOUJGDC-MSOLQXFVSA-N 1 0 300.446 3.123 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](CCC(Cl)(Cl)Cl)CC2 ZINC000248609572 432306733 /nfs/dbraw/zinc/30/67/33/432306733.db2.gz HKAUYXKIPPEXGU-MNOVXSKESA-N 1 0 300.657 3.374 10 0 DGAERO Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1C(F)(F)F ZINC000173906451 432307196 /nfs/dbraw/zinc/30/71/96/432307196.db2.gz QOQPGAOEEHXQMY-GFCCVEGCSA-N 1 0 315.339 3.182 10 0 DGAERO COCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000183601587 432308077 /nfs/dbraw/zinc/30/80/77/432308077.db2.gz MJVBDTSUOIWKBV-JKSUJKDBSA-N 1 0 324.509 3.066 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)s1 ZINC000183607931 432308864 /nfs/dbraw/zinc/30/88/64/432308864.db2.gz TXXWCIAHQXCXLI-MNOVXSKESA-N 1 0 320.380 3.471 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000248638939 432309359 /nfs/dbraw/zinc/30/93/59/432309359.db2.gz MNZQWKHWOOFNRD-HUBLWGQQSA-N 1 0 313.488 3.462 10 0 DGAERO COc1c(C)cnc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C ZINC000173944263 432310703 /nfs/dbraw/zinc/31/07/03/432310703.db2.gz MOMZUDFAUSPAOV-SJORKVTESA-N 1 0 317.477 3.154 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](C)CCCn2ccnc2)s1 ZINC000183635098 432311139 /nfs/dbraw/zinc/31/11/39/432311139.db2.gz QDQYBXFDKQOTHC-UHFFFAOYSA-N 1 0 318.368 3.189 10 0 DGAERO CCn1cc([C@@H]2CN([C@H](C)c3cccc(F)c3)CCO2)cn1 ZINC000248691801 432312381 /nfs/dbraw/zinc/31/23/81/432312381.db2.gz AMBJQXRIBAZDGQ-DYVFJYSZSA-N 1 0 303.381 3.177 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCCc2sccc21 ZINC000248691988 432313374 /nfs/dbraw/zinc/31/33/74/432313374.db2.gz BFJQVDVJTLJTLY-IPYPFGDCSA-N 1 0 319.474 3.004 10 0 DGAERO COC(=O)C1CCC([NH2+]Cc2ccccc2OC2CCC2)CC1 ZINC000192445538 432374541 /nfs/dbraw/zinc/37/45/41/432374541.db2.gz PXYZWWSLZITINP-UHFFFAOYSA-N 1 0 317.429 3.439 10 0 DGAERO COC(=O)C1CCC([NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000192447830 432377084 /nfs/dbraw/zinc/37/70/84/432377084.db2.gz DAKWDGKKYMODIF-GRTSSRMGSA-N 1 0 321.465 3.329 10 0 DGAERO CNC(=O)c1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000153040843 432379232 /nfs/dbraw/zinc/37/92/32/432379232.db2.gz XLMQARUFSQQYJT-QGZVFWFLSA-N 1 0 324.424 3.438 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000184357252 432383041 /nfs/dbraw/zinc/38/30/41/432383041.db2.gz FUTAANWTJKXYBK-QAPCUYQASA-N 1 0 309.413 3.236 10 0 DGAERO OCC1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCC1 ZINC000184374242 432384034 /nfs/dbraw/zinc/38/40/34/432384034.db2.gz DYLZKJBEIPEIBF-UHFFFAOYSA-N 1 0 300.377 3.140 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1F ZINC000174979986 432386090 /nfs/dbraw/zinc/38/60/90/432386090.db2.gz BTBPBHQUYQQIKS-CHWSQXEVSA-N 1 0 310.800 3.178 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cncc(C)c2)C1 ZINC000184387709 432386580 /nfs/dbraw/zinc/38/65/80/432386580.db2.gz WTOGKPNPGBCSBE-WBVHZDCISA-N 1 0 311.429 3.328 10 0 DGAERO C[C@H](CCC1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174989579 432387035 /nfs/dbraw/zinc/38/70/35/432387035.db2.gz XXSLHERQMMQBHC-SJLPKXTDSA-N 1 0 319.493 3.391 10 0 DGAERO Cc1ccc2ncc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000252802408 432387999 /nfs/dbraw/zinc/38/79/99/432387999.db2.gz MNLNWTJOPGDGIO-LPHOPBHVSA-N 1 0 324.472 3.091 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3ccc(F)cc31)CC2 ZINC000175010819 432388259 /nfs/dbraw/zinc/38/82/59/432388259.db2.gz UKYOSZOYTIPONQ-ZBFHGGJFSA-N 1 0 314.408 3.133 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1SC ZINC000175007483 432388509 /nfs/dbraw/zinc/38/85/09/432388509.db2.gz PSOZOJVLCNTAQU-UONOGXRCSA-N 1 0 304.459 3.107 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000175004871 432389137 /nfs/dbraw/zinc/38/91/37/432389137.db2.gz YUDIOEMJGDIPAO-HYVNUMGLSA-N 1 0 317.477 3.489 10 0 DGAERO CSCCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000175023583 432390472 /nfs/dbraw/zinc/39/04/72/432390472.db2.gz COJYLJNLQOVECP-QGZVFWFLSA-N 1 0 320.502 3.301 10 0 DGAERO CCSCC[C@H](C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192596103 432391292 /nfs/dbraw/zinc/39/12/92/432391292.db2.gz IZLOQSPYXFIMAA-NSHDSACASA-N 1 0 310.488 3.221 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC000153208633 432392614 /nfs/dbraw/zinc/39/26/14/432392614.db2.gz RYTBTHXYPPEFNH-DZGCQCFKSA-N 1 0 308.853 3.119 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175061131 432393125 /nfs/dbraw/zinc/39/31/25/432393125.db2.gz QQBUGCOIYJSRKJ-HUUCEWRRSA-N 1 0 319.449 3.420 10 0 DGAERO Fc1cccc(-c2cnc(CN3CC[NH+](CC4CC4)CC3)o2)c1 ZINC000175109335 432399452 /nfs/dbraw/zinc/39/94/52/432399452.db2.gz IZBACQLLOWCMGA-UHFFFAOYSA-N 1 0 315.392 3.008 10 0 DGAERO CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccnn2C)cc1OC ZINC000192701390 432401823 /nfs/dbraw/zinc/40/18/23/432401823.db2.gz YIYLWZBYEHFAHG-LLVKDONJSA-N 1 0 323.824 3.332 10 0 DGAERO Cc1c(-c2cc(C[N@@H+]3CCC[C@@H]3c3ccco3)on2)cnn1C ZINC000184559231 432406398 /nfs/dbraw/zinc/40/63/98/432406398.db2.gz WKTWXPCBXIMXME-MRXNPFEDSA-N 1 0 312.373 3.314 10 0 DGAERO Fc1cccc(-c2cnc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)o2)c1 ZINC000152804200 432358910 /nfs/dbraw/zinc/35/89/10/432358910.db2.gz KNIXIQMZOMOBHC-ZBFHGGJFSA-N 1 0 316.376 3.482 10 0 DGAERO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249866977 432359785 /nfs/dbraw/zinc/35/97/85/432359785.db2.gz IHYBRNOWCQPBRY-NWANDNLSSA-N 1 0 323.506 3.324 10 0 DGAERO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249878153 432359846 /nfs/dbraw/zinc/35/98/46/432359846.db2.gz MKEILWOUODYGQC-UONOGXRCSA-N 1 0 323.506 3.324 10 0 DGAERO FC(F)SCc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)o1 ZINC000249989451 432362479 /nfs/dbraw/zinc/36/24/79/432362479.db2.gz ZREXMNJMDJLLQT-YNEHKIRRSA-N 1 0 303.374 3.393 10 0 DGAERO O[C@H](CNc1ccnc2ccc(Cl)cc21)C[NH+]1CCCCC1 ZINC000174685069 432364521 /nfs/dbraw/zinc/36/45/21/432364521.db2.gz RVBVWUGAXXTBPU-CQSZACIVSA-N 1 0 319.836 3.147 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000250128589 432365603 /nfs/dbraw/zinc/36/56/03/432365603.db2.gz WPMNIGXSRZAZRL-VIBAHUMZSA-N 1 0 314.429 3.032 10 0 DGAERO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccccc1F ZINC000152928070 432368343 /nfs/dbraw/zinc/36/83/43/432368343.db2.gz GKAVVHFSUDIGEG-OAHLLOKOSA-N 1 0 320.408 3.188 10 0 DGAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000152915490 432369103 /nfs/dbraw/zinc/36/91/03/432369103.db2.gz CUQQGRCLUXDXNU-JZXOWHBKSA-N 1 0 322.493 3.200 10 0 DGAERO CO[C@@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)CC[C@@H]1C ZINC000251714673 432370468 /nfs/dbraw/zinc/37/04/68/432370468.db2.gz KRWXOBCAHVOHIP-GOEBONIOSA-N 1 0 315.417 3.026 10 0 DGAERO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1O ZINC000192952967 432433725 /nfs/dbraw/zinc/43/37/25/432433725.db2.gz CBAVSMSPOIYKOD-UHFFFAOYSA-N 1 0 324.424 3.226 10 0 DGAERO CCc1cc(C)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000153724473 432435924 /nfs/dbraw/zinc/43/59/24/432435924.db2.gz JIPRYUCBWIFSRU-RHSMWYFYSA-N 1 0 316.445 3.239 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000192978722 432436032 /nfs/dbraw/zinc/43/60/32/432436032.db2.gz DKYXYWLYESQDOX-ZIAGYGMSSA-N 1 0 318.442 3.054 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3cc(F)ccc23)C1 ZINC000192968842 432436250 /nfs/dbraw/zinc/43/62/50/432436250.db2.gz RQUQGMITWIHVET-CYBMUJFWSA-N 1 0 317.408 3.015 10 0 DGAERO CCC1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000175438768 432436693 /nfs/dbraw/zinc/43/66/93/432436693.db2.gz CSLFZMMDZGLWTD-QLQQRZLESA-N 1 0 307.482 3.270 10 0 DGAERO CN(C)c1noc(C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000193009513 432439451 /nfs/dbraw/zinc/43/94/51/432439451.db2.gz NRQVDAVAVLLIOI-CVEARBPZSA-N 1 0 314.433 3.027 10 0 DGAERO Cc1nc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2s1 ZINC000261679559 432440621 /nfs/dbraw/zinc/44/06/21/432440621.db2.gz MHXQMCWORUADMY-LNSITVRQSA-N 1 0 315.442 3.464 10 0 DGAERO CN(C(=O)[C@@H]1CCSc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261685565 432441024 /nfs/dbraw/zinc/44/10/24/432441024.db2.gz CCSNDOUSPOCRES-LBEMJPCMSA-N 1 0 316.470 3.007 10 0 DGAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000261685497 432441336 /nfs/dbraw/zinc/44/13/36/432441336.db2.gz CCDIGRYZULMRQF-UONOGXRCSA-N 1 0 306.409 3.067 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000184927578 432445359 /nfs/dbraw/zinc/44/53/59/432445359.db2.gz YLQTYQTUJUPRDH-JYJNAYRXSA-N 1 0 304.434 3.215 10 0 DGAERO Cc1ccc(C)c([C@@H]2CN(C[C@H]3CCC[NH2+]C3)[C@H](C)CO2)c1 ZINC000261753592 432447086 /nfs/dbraw/zinc/44/70/86/432447086.db2.gz CJBJBSZWVLJMOZ-AOIWGVFYSA-N 1 0 302.462 3.065 10 0 DGAERO CN(Cc1ccc(OC(F)(F)F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261756231 432447754 /nfs/dbraw/zinc/44/77/54/432447754.db2.gz KRGIBILZNDIFDC-AWEZNQCLSA-N 1 0 302.340 3.017 10 0 DGAERO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1sccc1Cl ZINC000193096080 432448339 /nfs/dbraw/zinc/44/83/39/432448339.db2.gz ZNUOEMRXOQZSHI-AWEZNQCLSA-N 1 0 322.861 3.191 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)N(C)Cc1nsc(N(C)C)n1 ZINC000153848826 432449115 /nfs/dbraw/zinc/44/91/15/432449115.db2.gz CPEGYXYSVYZIPA-OAHLLOKOSA-N 1 0 318.490 3.366 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]3c3cccs3)on2)cn1 ZINC000184971827 432450385 /nfs/dbraw/zinc/45/03/85/432450385.db2.gz HZWAKUZZNDWSQL-HNNXBMFYSA-N 1 0 314.414 3.474 10 0 DGAERO C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261791125 432451368 /nfs/dbraw/zinc/45/13/68/432451368.db2.gz UJJYGWVDXGHGFS-MLGOLLRUSA-N 1 0 320.408 3.005 10 0 DGAERO Cc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1Cl ZINC000261787945 432451387 /nfs/dbraw/zinc/45/13/87/432451387.db2.gz TZNHFZPDHQVPGI-UHFFFAOYSA-N 1 0 316.832 3.292 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCO[C@H]1CCCCO1 ZINC000193122389 432451780 /nfs/dbraw/zinc/45/17/80/432451780.db2.gz PBXHLZRKYQCCRQ-CJNGLKHVSA-N 1 0 309.454 3.140 10 0 DGAERO [NH3+]C1(c2noc([C@H]3C[C@@H]3c3cc(F)ccc3F)n2)CCCC1 ZINC000261810103 432452236 /nfs/dbraw/zinc/45/22/36/432452236.db2.gz PTIMTOLIGWSHRW-PWSUYJOCSA-N 1 0 305.328 3.347 10 0 DGAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc(F)cc1F ZINC000261804394 432453162 /nfs/dbraw/zinc/45/31/62/432453162.db2.gz RAJTUEPRRRGIBU-KRWDZBQOSA-N 1 0 318.367 3.120 10 0 DGAERO COc1cccc([C@H](C)[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000175644551 432454104 /nfs/dbraw/zinc/45/41/04/432454104.db2.gz QJIBTLDQLZIONO-AWEZNQCLSA-N 1 0 312.417 3.123 10 0 DGAERO CCCOc1cccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261839503 432454193 /nfs/dbraw/zinc/45/41/93/432454193.db2.gz OZIZBXNOIZIIMD-IBGZPJMESA-N 1 0 311.429 3.017 10 0 DGAERO C[C@H]([NH3+])[C@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832058 432454414 /nfs/dbraw/zinc/45/44/14/432454414.db2.gz BUHSMVIEOWCLLQ-JSGCOSHPSA-N 1 0 303.381 3.040 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832062 432454890 /nfs/dbraw/zinc/45/48/90/432454890.db2.gz BUHSMVIEOWCLLQ-TZMCWYRMSA-N 1 0 303.381 3.040 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1coc(-c2ccccc2)n1 ZINC000261840607 432455339 /nfs/dbraw/zinc/45/53/39/432455339.db2.gz WOEQGPPVFCUSIZ-UHFFFAOYSA-N 1 0 321.424 3.345 10 0 DGAERO O=C(CC[C@H]1CC[NH2+]C1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000261872789 432456661 /nfs/dbraw/zinc/45/66/61/432456661.db2.gz QYJBBJFBUGGZFD-SJCJKPOMSA-N 1 0 306.837 3.297 10 0 DGAERO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185027401 432457969 /nfs/dbraw/zinc/45/79/69/432457969.db2.gz CDQBMUGMKATLSF-DYVFJYSZSA-N 1 0 302.422 3.476 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]1C ZINC000255569895 432411735 /nfs/dbraw/zinc/41/17/35/432411735.db2.gz ACIMNPNGVTUXAH-HLLBOEOZSA-N 1 0 307.482 3.081 10 0 DGAERO CC[C@@H]1C[N@H+](Cc2cccc3cccnc32)CCN1CC(F)F ZINC000153485025 432413339 /nfs/dbraw/zinc/41/33/39/432413339.db2.gz FXYLKMYHNDPYIN-MRXNPFEDSA-N 1 0 319.399 3.396 10 0 DGAERO C[C@@H]1CCC[C@H](C)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000255848214 432413478 /nfs/dbraw/zinc/41/34/78/432413478.db2.gz VTUFOAOJYYWQSU-BFZKSOEOSA-N 1 0 307.482 3.222 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(F)c(F)c1 ZINC000192811922 432416138 /nfs/dbraw/zinc/41/61/38/432416138.db2.gz BEUAMPWCAXXYDR-JSGCOSHPSA-N 1 0 318.371 3.074 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)CC2 ZINC000184657177 432417767 /nfs/dbraw/zinc/41/77/67/432417767.db2.gz ZNJUKCHUFNAYGS-QWRGUYRKSA-N 1 0 322.815 3.299 10 0 DGAERO CCC[C@H](C)[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192848053 432420879 /nfs/dbraw/zinc/42/08/79/432420879.db2.gz IUUJNBITSARYHR-HOTGVXAUSA-N 1 0 312.498 3.303 10 0 DGAERO C[C@@H](c1cccc(F)c1)N1CCN([C@@H](C)c2cnccn2)CC1 ZINC000184684286 432421444 /nfs/dbraw/zinc/42/14/44/432421444.db2.gz ZMRAGONVJWVIEE-GJZGRUSLSA-N 1 0 314.408 3.056 10 0 DGAERO CC[C@@H](CC(=O)N1CCNC[C@@H]1c1ccccc1OC)C(C)C ZINC000262044814 432471917 /nfs/dbraw/zinc/47/19/17/432471917.db2.gz UITUNUMDJMNPTI-DOTOQJQBSA-N 1 0 318.461 3.240 10 0 DGAERO CCCc1ncc(-c2nc(-c3ccc(C[NH3+])cc3)no2)s1 ZINC000262048343 432471962 /nfs/dbraw/zinc/47/19/62/432471962.db2.gz PYXJFCFICBDTOR-UHFFFAOYSA-N 1 0 300.387 3.271 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(SC)cc2)C1 ZINC000175863784 432472788 /nfs/dbraw/zinc/47/27/88/432472788.db2.gz GUFBNHRWHDKYLS-HNNXBMFYSA-N 1 0 321.490 3.034 10 0 DGAERO C[C@](CO)([NH2+]Cc1nc2cc(F)ccc2o1)C1CCCCC1 ZINC000154118625 432472974 /nfs/dbraw/zinc/47/29/74/432472974.db2.gz WGPMCKDCQIRPET-QGZVFWFLSA-N 1 0 306.381 3.388 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3scnc3c2)CC[N@@H+]1C ZINC000175872763 432472998 /nfs/dbraw/zinc/47/29/98/432472998.db2.gz UUEONIBJEGEAAM-DGCLKSJQSA-N 1 0 318.446 3.243 10 0 DGAERO c1csc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000262072971 432473367 /nfs/dbraw/zinc/47/33/67/432473367.db2.gz CRVSOGOTWQDERG-AWEZNQCLSA-N 1 0 319.499 3.349 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3scnc3c2)CC[N@@H+]1C ZINC000175872790 432473435 /nfs/dbraw/zinc/47/34/35/432473435.db2.gz UUEONIBJEGEAAM-WCQYABFASA-N 1 0 318.446 3.243 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000175885651 432474547 /nfs/dbraw/zinc/47/45/47/432474547.db2.gz NDOIWLSJMWKTMU-CHWSQXEVSA-N 1 0 300.406 3.114 10 0 DGAERO Fc1ccc(Cl)c(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000262132559 432475408 /nfs/dbraw/zinc/47/54/08/432475408.db2.gz OCBTWXDDHRVORB-MRXNPFEDSA-N 1 0 305.784 3.021 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000185218366 432478925 /nfs/dbraw/zinc/47/89/25/432478925.db2.gz YGCWWQZHGIFFPW-ZDUSSCGKSA-N 1 0 300.402 3.203 10 0 DGAERO C[C@H]1C[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000262302751 432479378 /nfs/dbraw/zinc/47/93/78/432479378.db2.gz ANGWGAANIFKZOA-LPHOPBHVSA-N 1 0 322.452 3.323 10 0 DGAERO C[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)c1cccnc1 ZINC000263001467 432512419 /nfs/dbraw/zinc/51/24/19/432512419.db2.gz PWGMUTWLJVOJAS-SNVBAGLBSA-N 1 0 323.318 3.301 10 0 DGAERO CCCC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000154209648 432483543 /nfs/dbraw/zinc/48/35/43/432483543.db2.gz OKAMHSHVQTZYED-CVEARBPZSA-N 1 0 307.482 3.223 10 0 DGAERO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000175980396 432483576 /nfs/dbraw/zinc/48/35/76/432483576.db2.gz LBGBVUCZODJZJP-HOTGVXAUSA-N 1 0 317.477 3.228 10 0 DGAERO CCC1(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CCC1 ZINC000175982882 432483830 /nfs/dbraw/zinc/48/38/30/432483830.db2.gz RLDQGHOKWDRJAO-OAHLLOKOSA-N 1 0 307.413 3.060 10 0 DGAERO COc1ccc(C)cc1NC(=O)CN[C@@H](C)c1ccc(C)o1 ZINC000193634820 432485873 /nfs/dbraw/zinc/48/58/73/432485873.db2.gz FNHLQTNMXOKASP-ZDUSSCGKSA-N 1 0 302.374 3.194 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC[NH2+]1 ZINC000262445953 432486021 /nfs/dbraw/zinc/48/60/21/432486021.db2.gz UDMKHAGIRXNOLS-PJODQICGSA-N 1 0 306.837 3.295 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000262458959 432486195 /nfs/dbraw/zinc/48/61/95/432486195.db2.gz IKNHFJQFUURXOR-HIFRSBDPSA-N 1 0 322.449 3.257 10 0 DGAERO CCc1cc2c(ncnc2NCc2ccc3c(c2)C[NH2+]C3)s1 ZINC000262529719 432489756 /nfs/dbraw/zinc/48/97/56/432489756.db2.gz PKDKOZPDSWZQNK-UHFFFAOYSA-N 1 0 310.426 3.469 10 0 DGAERO C[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000262531177 432490096 /nfs/dbraw/zinc/49/00/96/432490096.db2.gz IJXNVNWBZCJXED-ZOCIIQOWSA-N 1 0 308.425 3.311 10 0 DGAERO Cc1ccc(CCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC000176051928 432490493 /nfs/dbraw/zinc/49/04/93/432490493.db2.gz KNULJQCFFWCNQD-DZGCQCFKSA-N 1 0 306.475 3.074 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000262618313 432494916 /nfs/dbraw/zinc/49/49/16/432494916.db2.gz DXSCKQOJWXMLRM-JMLCCBQJSA-N 1 0 310.482 3.090 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1c(Cl)ccc(F)c1Cl ZINC000262632004 432495253 /nfs/dbraw/zinc/49/52/53/432495253.db2.gz WVENZCQIOUSSQR-YIZRAAEISA-N 1 0 319.207 3.437 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C/C=C/c1cccc(F)c1 ZINC000176196031 432500052 /nfs/dbraw/zinc/50/00/52/432500052.db2.gz PXLCMVGOHUTNAK-DBWMJRBXSA-N 1 0 306.425 3.322 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000262782495 432502425 /nfs/dbraw/zinc/50/24/25/432502425.db2.gz MGRHTILSEIVLCM-JVGQSUMCSA-N 1 0 314.473 3.465 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1 ZINC000185500291 432506194 /nfs/dbraw/zinc/50/61/94/432506194.db2.gz ALEZMZXSCKJQRB-AWEZNQCLSA-N 1 0 317.433 3.275 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)cc1F ZINC000185055727 432460603 /nfs/dbraw/zinc/46/06/03/432460603.db2.gz ZHCPYOQMVQABRJ-LBPRGKRZSA-N 1 0 314.364 3.373 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCc1ccc3c(c1)CCO3)CC2 ZINC000193253370 432461500 /nfs/dbraw/zinc/46/15/00/432461500.db2.gz BVIRHUPLRSTWNL-UYAOXDASSA-N 1 0 315.457 3.181 10 0 DGAERO C[C@@H]1CCCC[C@@H]1OCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261946401 432463561 /nfs/dbraw/zinc/46/35/61/432463561.db2.gz FIOZAMDBNDLBSM-DOMZBBRYSA-N 1 0 301.390 3.291 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000185128405 432469122 /nfs/dbraw/zinc/46/91/22/432469122.db2.gz GGDROIZBFHGPQK-ZDUSSCGKSA-N 1 0 300.402 3.203 10 0 DGAERO C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000185951038 432549490 /nfs/dbraw/zinc/54/94/90/432549490.db2.gz RHOKMFLDOXKTBE-UKRRQHHQSA-N 1 0 306.425 3.330 10 0 DGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cccc(OC2CCCC2)c1 ZINC000155326706 432550696 /nfs/dbraw/zinc/55/06/96/432550696.db2.gz BGELYRDLICXKTC-GJZGRUSLSA-N 1 0 316.445 3.173 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)c3cccn3C)C2)cc1 ZINC000155340152 432551339 /nfs/dbraw/zinc/55/13/39/432551339.db2.gz JANGNKGFSYROPX-GDBMZVCRSA-N 1 0 312.413 3.094 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)C[C@@H](C)c2ccccc2F)[C@@H](C)C1 ZINC000155434386 432554571 /nfs/dbraw/zinc/55/45/71/432554571.db2.gz WGSUZSGMOFPQCK-KEYYUXOJSA-N 1 0 306.425 3.164 10 0 DGAERO CN(C(=O)Nc1nc2c(s1)CCCCC2)[C@@H]1CCC[NH2+]CC1 ZINC000333200449 281808599 /nfs/dbraw/zinc/80/85/99/281808599.db2.gz XOQBDSOXXKEMDK-GFCCVEGCSA-N 1 0 322.478 3.018 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)cc2c1C ZINC000155585609 432561738 /nfs/dbraw/zinc/56/17/38/432561738.db2.gz GWRQUPKZRQUBKI-SGTLLEGYSA-N 1 0 313.445 3.243 10 0 DGAERO Cc1cccc(NC[C@H]2CCN(c3ccncc3Cl)C2)[nH+]1 ZINC000176894530 432562102 /nfs/dbraw/zinc/56/21/02/432562102.db2.gz OKTGTNIIGKUHQJ-CYBMUJFWSA-N 1 0 302.809 3.377 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCc1ccc(F)c(F)c1 ZINC000154657360 432513374 /nfs/dbraw/zinc/51/33/74/432513374.db2.gz XYZSQSQGCHQEHM-HNNXBMFYSA-N 1 0 324.415 3.230 10 0 DGAERO CCC[C@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)[NH+](C)C ZINC000154666170 432513390 /nfs/dbraw/zinc/51/33/90/432513390.db2.gz OOKGKJDQSFKYDH-LLVKDONJSA-N 1 0 305.205 3.368 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3nc(C)c(C)s3)CC2)cn1 ZINC000176345277 432513854 /nfs/dbraw/zinc/51/38/54/432513854.db2.gz LZZMPTICAANELR-UHFFFAOYSA-N 1 0 304.463 3.356 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc2[nH]ccc21 ZINC000176335755 432513972 /nfs/dbraw/zinc/51/39/72/432513972.db2.gz DYZCUGANKXBMIG-CYBMUJFWSA-N 1 0 300.406 3.116 10 0 DGAERO C[C@H]1COCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000194003633 432515378 /nfs/dbraw/zinc/51/53/78/432515378.db2.gz QPBBXUDDCOQDIY-YJBOKZPZSA-N 1 0 316.445 3.284 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)C2CCCC2)cc1 ZINC000194005269 432517570 /nfs/dbraw/zinc/51/75/70/432517570.db2.gz FPEGPPUFKOMBCP-SFHVURJKSA-N 1 0 316.445 3.233 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@@H](c1ccccc1)N(C)C ZINC000185674265 432522918 /nfs/dbraw/zinc/52/29/18/432522918.db2.gz DKASHCIDYHHQOB-KUHUBIRLSA-N 1 0 308.429 3.344 10 0 DGAERO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000154854266 432525853 /nfs/dbraw/zinc/52/58/53/432525853.db2.gz AQFFHNRMZWKHRF-XJKSGUPXSA-N 1 0 306.360 3.345 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000194631886 432564440 /nfs/dbraw/zinc/56/44/40/432564440.db2.gz HWDMDAQIGUXTRZ-LLVKDONJSA-N 1 0 315.244 3.136 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccccc3F)CC[C@H]21 ZINC000154864583 432526629 /nfs/dbraw/zinc/52/66/29/432526629.db2.gz NDKZAHURFDZKOB-WMLDXEAASA-N 1 0 318.436 3.046 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(C)oc2ccccc21 ZINC000185730707 432529296 /nfs/dbraw/zinc/52/92/96/432529296.db2.gz YATNKBFGTJSVCQ-LSDHHAIUSA-N 1 0 312.413 3.440 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C/C=C/c1ccc(F)cc1 ZINC000176516848 432531359 /nfs/dbraw/zinc/53/13/59/432531359.db2.gz AXLZVSXCAVJSIC-FLSJAXMZSA-N 1 0 316.420 3.314 10 0 DGAERO CCCN1Cc2cccc(NC(=O)[C@@H]3CCOC[C@@H]3C)c2C1 ZINC000194271624 432536945 /nfs/dbraw/zinc/53/69/45/432536945.db2.gz IHFIXIRAOUYUDL-DZGCQCFKSA-N 1 0 302.418 3.023 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC000194288457 432538130 /nfs/dbraw/zinc/53/81/30/432538130.db2.gz HGVHSLCCQXLZTO-RDTXWAMCSA-N 1 0 321.465 3.240 10 0 DGAERO CC1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000176627806 432538782 /nfs/dbraw/zinc/53/87/82/432538782.db2.gz MOKGIUWVAASWMS-UHFFFAOYSA-N 1 0 307.482 3.273 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176636738 432538903 /nfs/dbraw/zinc/53/89/03/432538903.db2.gz ZJUBULJQMPGUBY-HOTGVXAUSA-N 1 0 323.868 3.354 10 0 DGAERO C[C@H]1CC[C@H](C)N(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000176638644 432539014 /nfs/dbraw/zinc/53/90/14/432539014.db2.gz GKKXUGGJBQSRKJ-IRXDYDNUSA-N 1 0 309.498 3.473 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000176638658 432539304 /nfs/dbraw/zinc/53/93/04/432539304.db2.gz GKKXUGGJBQSRKJ-IAGOWNOFSA-N 1 0 309.498 3.473 10 0 DGAERO Cc1ccc2c(CC[NH2+]Cc3cn4ccccc4n3)cn(C)c2c1 ZINC000186544788 432606115 /nfs/dbraw/zinc/60/61/15/432606115.db2.gz MPWSEBWAPUIXAD-UHFFFAOYSA-N 1 0 318.424 3.467 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000156727350 432606596 /nfs/dbraw/zinc/60/65/96/432606596.db2.gz KHRTYNRVFXHIFA-YCPHGPKFSA-N 1 0 321.440 3.319 10 0 DGAERO COc1cccc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1 ZINC000177283538 432606744 /nfs/dbraw/zinc/60/67/44/432606744.db2.gz YJOJPOOXRIPTTI-CYBMUJFWSA-N 1 0 303.406 3.485 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(Br)cc2)n1 ZINC000177302272 432609253 /nfs/dbraw/zinc/60/92/53/432609253.db2.gz NMLPTMOVOSGUJR-VIFPVBQESA-N 1 0 310.195 3.034 10 0 DGAERO COc1cccc([C@H](C)CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000177298258 432609711 /nfs/dbraw/zinc/60/97/11/432609711.db2.gz JJVNFXCTYPDPQS-BFYDXBDKSA-N 1 0 318.461 3.130 10 0 DGAERO C[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C(C1CC1)C1CC1 ZINC000195226433 432612529 /nfs/dbraw/zinc/61/25/29/432612529.db2.gz HNDINCNVHGIXOG-QGZVFWFLSA-N 1 0 323.864 3.338 10 0 DGAERO COc1ccccc1NC(=O)C[NH+]1CCC(C)(C(C)C)CC1 ZINC000186189323 432565956 /nfs/dbraw/zinc/56/59/56/432565956.db2.gz WAMKKFMDNHVDLL-UHFFFAOYSA-N 1 0 304.434 3.392 10 0 DGAERO CCOc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1C ZINC000176934164 432567304 /nfs/dbraw/zinc/56/73/04/432567304.db2.gz QGKHVUYYKOATTF-UHFFFAOYSA-N 1 0 313.401 3.103 10 0 DGAERO C[C@@H](Sc1ccccc1Cl)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194694092 432569251 /nfs/dbraw/zinc/56/92/51/432569251.db2.gz CQPCKVDRYLWWRS-NEPJUHHUSA-N 1 0 312.866 3.031 10 0 DGAERO CCSc1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000186215616 432570236 /nfs/dbraw/zinc/57/02/36/432570236.db2.gz ZLTHGZXZQHHRCW-OAHLLOKOSA-N 1 0 302.447 3.227 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000176968343 432571155 /nfs/dbraw/zinc/57/11/55/432571155.db2.gz VXWAGAYJHFBMFN-AWEZNQCLSA-N 1 0 319.836 3.378 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000186226562 432571345 /nfs/dbraw/zinc/57/13/45/432571345.db2.gz ZJNRKHKMIMZXDI-MRVPVSSYSA-N 1 0 319.352 3.360 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)CC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000155780279 432572399 /nfs/dbraw/zinc/57/23/99/432572399.db2.gz VEDHKOVDDRCNOO-RDJZCZTQSA-N 1 0 302.462 3.199 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000176984538 432572482 /nfs/dbraw/zinc/57/24/82/432572482.db2.gz ZTWWHBJLOHEFLO-CQSZACIVSA-N 1 0 314.351 3.262 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(F)c(F)cc1Cl ZINC000177005832 432573763 /nfs/dbraw/zinc/57/37/63/432573763.db2.gz VVPGMGHFICTHJP-JTQLQIEISA-N 1 0 316.779 3.175 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000177010860 432573849 /nfs/dbraw/zinc/57/38/49/432573849.db2.gz XXSGKKOPWMTNGW-CQSZACIVSA-N 1 0 314.351 3.262 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000155766070 432574048 /nfs/dbraw/zinc/57/40/48/432574048.db2.gz RDERUQLMRXPAAI-KKUMJFAQSA-N 1 0 304.434 3.029 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1ccccc1Cl ZINC000176996404 432574484 /nfs/dbraw/zinc/57/44/84/432574484.db2.gz NTWFYDORXNUAIZ-HNNXBMFYSA-N 1 0 308.853 3.215 10 0 DGAERO CCn1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000177026949 432576538 /nfs/dbraw/zinc/57/65/38/432576538.db2.gz BYNSWEVCMZOZGH-HNNXBMFYSA-N 1 0 313.445 3.218 10 0 DGAERO CC(C)c1csc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000177028205 432577376 /nfs/dbraw/zinc/57/73/76/432577376.db2.gz ISTRHMRJGZMAAF-NEPJUHHUSA-N 1 0 310.467 3.117 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Br)c2)CCN1C ZINC000177059329 432580702 /nfs/dbraw/zinc/58/07/02/432580702.db2.gz KJKRGAWHIKMKQI-WFASDCNBSA-N 1 0 311.267 3.364 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)nc2)C12CCOCC2 ZINC000186315082 432580703 /nfs/dbraw/zinc/58/07/03/432580703.db2.gz LVSIAMXIMUAHBE-NWANDNLSSA-N 1 0 324.852 3.360 10 0 DGAERO Cc1cc(C)c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1 ZINC000177084580 432583034 /nfs/dbraw/zinc/58/30/34/432583034.db2.gz AIDQSYUBGQOEMF-HOTGVXAUSA-N 1 0 301.434 3.312 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C12CCOCC2 ZINC000186331267 432583748 /nfs/dbraw/zinc/58/37/48/432583748.db2.gz KJMBWXGKXUIFRG-ROUUACIJSA-N 1 0 321.436 3.322 10 0 DGAERO Cc1cccc(NC(=O)C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000186349390 432585339 /nfs/dbraw/zinc/58/53/39/432585339.db2.gz CGROKGWPZHUIRG-DLBZAZTESA-N 1 0 304.434 3.117 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177136263 432589120 /nfs/dbraw/zinc/58/91/20/432589120.db2.gz XNPQYVZBWFKYGC-GJZGRUSLSA-N 1 0 317.433 3.094 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)C2CCCCCC2)CC1 ZINC000194938693 432589946 /nfs/dbraw/zinc/58/99/46/432589946.db2.gz AHTULZJKCBBDOO-UHFFFAOYSA-N 1 0 309.498 3.473 10 0 DGAERO CCc1cccc(CC(=O)NCCC2CC[NH+](CC)CC2)c1 ZINC000156300755 432593510 /nfs/dbraw/zinc/59/35/10/432593510.db2.gz UYDCECSIYVMJMN-UHFFFAOYSA-N 1 0 302.462 3.030 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000177178546 432593740 /nfs/dbraw/zinc/59/37/40/432593740.db2.gz ZLTIQJMXAFRKIZ-ABSDTBQOSA-N 1 0 324.468 3.468 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(F)c1 ZINC000156535562 432601047 /nfs/dbraw/zinc/60/10/47/432601047.db2.gz ZVMJFBKFPGRCLS-QWHCGFSZSA-N 1 0 310.800 3.178 10 0 DGAERO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)oc2c1c(C)ccc2C ZINC000186664795 432619193 /nfs/dbraw/zinc/61/91/93/432619193.db2.gz NINNHDHXKMDUTD-IINYFYTJSA-N 1 0 300.402 3.086 10 0 DGAERO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)oc2c1c(C)ccc2C ZINC000186664851 432619293 /nfs/dbraw/zinc/61/92/93/432619293.db2.gz NINNHDHXKMDUTD-YGRLFVJLSA-N 1 0 300.402 3.086 10 0 DGAERO CCc1oc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1C ZINC000157317264 432619353 /nfs/dbraw/zinc/61/93/53/432619353.db2.gz BFIJOVOINWLSNE-OAHLLOKOSA-N 1 0 300.402 3.183 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)c1 ZINC000177415099 432622697 /nfs/dbraw/zinc/62/26/97/432622697.db2.gz FLIXVNSLVPFSIN-ZBFHGGJFSA-N 1 0 305.418 3.062 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2nc(C)c(C)s2)CC1 ZINC000195425965 432623749 /nfs/dbraw/zinc/62/37/49/432623749.db2.gz VKDLFRPJZDNEBE-UHFFFAOYSA-N 1 0 310.467 3.003 10 0 DGAERO CSc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000195486877 432625001 /nfs/dbraw/zinc/62/50/01/432625001.db2.gz TYNKUDWNBMFODG-UHFFFAOYSA-N 1 0 314.454 3.400 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccccc1Cl ZINC000177441988 432625442 /nfs/dbraw/zinc/62/54/42/432625442.db2.gz FGTILVZGBONLTO-HNNXBMFYSA-N 1 0 323.868 3.008 10 0 DGAERO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(C)n1C1CCCCC1 ZINC000186727033 432627087 /nfs/dbraw/zinc/62/70/87/432627087.db2.gz AWVLTHUBMJVPLD-SCLBCKFNSA-N 1 0 317.477 3.338 10 0 DGAERO CCSc1ccc(Cl)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000177462268 432627083 /nfs/dbraw/zinc/62/70/83/432627083.db2.gz QRRXAUXDCMNTCE-LBPRGKRZSA-N 1 0 312.866 3.228 10 0 DGAERO CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177475857 432627871 /nfs/dbraw/zinc/62/78/71/432627871.db2.gz JHBUQOLXHCNWOW-ZWKOTPCHSA-N 1 0 317.477 3.133 10 0 DGAERO CC(C)[C@H](SCC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000157718518 432628703 /nfs/dbraw/zinc/62/87/03/432628703.db2.gz VEWUUJBDFGFXDK-ZBFHGGJFSA-N 1 0 308.491 3.183 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000195614937 432629697 /nfs/dbraw/zinc/62/96/97/432629697.db2.gz RCGZJYRVWQTOGR-HIFRSBDPSA-N 1 0 321.465 3.459 10 0 DGAERO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cc1ccccc1 ZINC000186836825 432633035 /nfs/dbraw/zinc/63/30/35/432633035.db2.gz CATQDGISTOCWHZ-UHFFFAOYSA-N 1 0 302.462 3.390 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000177543958 432635138 /nfs/dbraw/zinc/63/51/38/432635138.db2.gz YZPVWASQXCFPOT-SJLPKXTDSA-N 1 0 317.477 3.224 10 0 DGAERO O=C(c1ccc(F)c(Cl)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000212704004 432640563 /nfs/dbraw/zinc/64/05/63/432640563.db2.gz BYYZLENPNKJEHB-SWLSCSKDSA-N 1 0 310.800 3.083 10 0 DGAERO Cc1cc2occ(C(=O)N3[C@H](C)C[NH+](C)C[C@H]3C)c2cc1C ZINC000186649196 432618129 /nfs/dbraw/zinc/61/81/29/432618129.db2.gz SVFIBSJOXYOQSB-ZIAGYGMSSA-N 1 0 300.402 3.214 10 0 DGAERO C[C@H](c1nc2ccccc2s1)N(C)CC(=O)NC(C)(C)C ZINC000195348427 432618249 /nfs/dbraw/zinc/61/82/49/432618249.db2.gz CKSAZWDHZQUFIO-LLVKDONJSA-N 1 0 305.447 3.204 10 0 DGAERO CC[C@@H](C)C[N@H+](CC)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000177848023 432668889 /nfs/dbraw/zinc/66/88/89/432668889.db2.gz KJVDLIXXBBYTMR-LLVKDONJSA-N 1 0 319.474 3.341 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177699305 432651997 /nfs/dbraw/zinc/65/19/97/432651997.db2.gz NPCGXIPQEIQBBY-WMLDXEAASA-N 1 0 314.408 3.304 10 0 DGAERO CCn1c2ccc(F)cc2nc1CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000177707869 432653750 /nfs/dbraw/zinc/65/37/50/432653750.db2.gz POAZDICKXKFIQR-OAHLLOKOSA-N 1 0 318.440 3.111 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187299102 432656483 /nfs/dbraw/zinc/65/64/83/432656483.db2.gz DRYSEEFCAHTZGZ-GOEBONIOSA-N 1 0 320.502 3.395 10 0 DGAERO COCCC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000177762808 432659618 /nfs/dbraw/zinc/65/96/18/432659618.db2.gz RICOVQGTVHKMJN-LLVKDONJSA-N 1 0 303.349 3.201 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000158979111 432663875 /nfs/dbraw/zinc/66/38/75/432663875.db2.gz NFKRHNBPVHNPAY-JLCFBVMHSA-N 1 0 317.454 3.326 10 0 DGAERO Cc1ccc(C(C)(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000158982906 432665135 /nfs/dbraw/zinc/66/51/35/432665135.db2.gz BVZIQYKAZZQHDY-RDJZCZTQSA-N 1 0 302.462 3.118 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000159020429 432666286 /nfs/dbraw/zinc/66/62/86/432666286.db2.gz ORFZCDFTZCWKHK-RDBSUJKOSA-N 1 0 317.437 3.208 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1nc3ccccc3s1)CC2 ZINC000220411455 432666558 /nfs/dbraw/zinc/66/65/58/432666558.db2.gz XERVCVPVQGQZRK-SUMWQHHRSA-N 1 0 302.443 3.423 10 0 DGAERO CCc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1F ZINC000159043687 432668070 /nfs/dbraw/zinc/66/80/70/432668070.db2.gz WXKUZYNNTSZROY-AWEZNQCLSA-N 1 0 321.440 3.488 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187922810 432692934 /nfs/dbraw/zinc/69/29/34/432692934.db2.gz YFOVCQWMSNDKJH-YVEFUNNKSA-N 1 0 324.852 3.070 10 0 DGAERO CC[C@H](NC1CC[NH+](CC2CCCC2)CC1)c1cnn(C)c1 ZINC000178157998 432699825 /nfs/dbraw/zinc/69/98/25/432699825.db2.gz SEUNBVPDBRMKLI-SFHVURJKSA-N 1 0 304.482 3.115 10 0 DGAERO O=C(NC/C=C/c1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178232927 432708628 /nfs/dbraw/zinc/70/86/28/432708628.db2.gz KQQOMPIDZFHWFA-HKMNZKMDSA-N 1 0 312.457 3.471 10 0 DGAERO COC[C@@H]([NH2+]CCCc1ccc(Cl)cc1)C1CCOCC1 ZINC000188177751 432709101 /nfs/dbraw/zinc/70/91/01/432709101.db2.gz VPPIDUQNZIDREO-QGZVFWFLSA-N 1 0 311.853 3.304 10 0 DGAERO CSC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000188232342 432713236 /nfs/dbraw/zinc/71/32/36/432713236.db2.gz JRPWFYARFDCWFL-SUMWQHHRSA-N 1 0 302.443 3.123 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227839234 432714877 /nfs/dbraw/zinc/71/48/77/432714877.db2.gz BZFADRPWWJXHEH-XCBNKYQSSA-N 1 0 324.671 3.415 10 0 DGAERO OC1CC(C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000227839865 432715341 /nfs/dbraw/zinc/71/53/41/432715341.db2.gz AYEOQRRLBJIJPI-UHFFFAOYSA-N 1 0 310.644 3.025 10 0 DGAERO CCc1ncc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)s1 ZINC000227760668 432715767 /nfs/dbraw/zinc/71/57/67/432715767.db2.gz GBVUOZXULOIFCU-UHFFFAOYSA-N 1 0 313.467 3.098 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOc1ccccc1Cl ZINC000178292320 432716380 /nfs/dbraw/zinc/71/63/80/432716380.db2.gz KCTQXOPHWXMYNW-HNNXBMFYSA-N 1 0 319.836 3.388 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)n1 ZINC000159105946 432670181 /nfs/dbraw/zinc/67/01/81/432670181.db2.gz AEXKMCHUBGUPOO-AWEZNQCLSA-N 1 0 312.442 3.479 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)n1 ZINC000159105790 432670545 /nfs/dbraw/zinc/67/05/45/432670545.db2.gz AEXKMCHUBGUPOO-CQSZACIVSA-N 1 0 312.442 3.479 10 0 DGAERO COCCC[C@H](C)[NH2+]Cc1ccc(Br)cc1OC ZINC000187575136 432670708 /nfs/dbraw/zinc/67/07/08/432670708.db2.gz PBULLNVQCKXGBY-NSHDSACASA-N 1 0 316.239 3.362 10 0 DGAERO CCC[C@H](C(=O)Nc1ccn(-c2ccccc2Cl)n1)[NH+](C)C ZINC000159209206 432673724 /nfs/dbraw/zinc/67/37/24/432673724.db2.gz FENOXUJUHINRLD-CQSZACIVSA-N 1 0 320.824 3.195 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000187664428 432674742 /nfs/dbraw/zinc/67/47/42/432674742.db2.gz JZJQSXHYRYMXIR-CYBMUJFWSA-N 1 0 304.365 3.385 10 0 DGAERO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCCOC1 ZINC000177931468 432675353 /nfs/dbraw/zinc/67/53/53/432675353.db2.gz AOIBUTNBHXIRQM-BXUZGUMPSA-N 1 0 303.431 3.343 10 0 DGAERO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000177934484 432675360 /nfs/dbraw/zinc/67/53/60/432675360.db2.gz SXRGYNQLFUCJAY-BXUZGUMPSA-N 1 0 301.308 3.341 10 0 DGAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCCOC1 ZINC000177931508 432676321 /nfs/dbraw/zinc/67/63/21/432676321.db2.gz AOIBUTNBHXIRQM-FZMZJTMJSA-N 1 0 303.431 3.343 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000187691737 432678404 /nfs/dbraw/zinc/67/84/04/432678404.db2.gz YUAOWCXLZKSXGP-CQSZACIVSA-N 1 0 304.434 3.187 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1ccncc1 ZINC000224975402 432684929 /nfs/dbraw/zinc/68/49/29/432684929.db2.gz BMGBZVYOWGVXSX-BPUTZDHNSA-N 1 0 319.449 3.426 10 0 DGAERO COc1ccc(C)cc1[C@@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000178021619 432685497 /nfs/dbraw/zinc/68/54/97/432685497.db2.gz VXWOOBMMWYBGKZ-OAHLLOKOSA-N 1 0 312.413 3.084 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1ccc(OC)c(OC2CCCC2)c1 ZINC000187816358 432686136 /nfs/dbraw/zinc/68/61/36/432686136.db2.gz YYYFOMVIMXEPSB-CQSZACIVSA-N 1 0 307.434 3.389 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178049069 432689877 /nfs/dbraw/zinc/68/98/77/432689877.db2.gz WWHIIEFBESSNGY-AWEZNQCLSA-N 1 0 307.401 3.076 10 0 DGAERO c1ncn(-c2ncccc2C[NH2+][C@H]2CCCCc3ccccc32)n1 ZINC000178055428 432689976 /nfs/dbraw/zinc/68/99/76/432689976.db2.gz YDLWKYYELWTZIP-SFHVURJKSA-N 1 0 319.412 3.220 10 0 DGAERO Cn1cc([C@H]([NH2+]C[C@H]2CCC(C)(C)O2)c2cccc(F)c2)cn1 ZINC000187862418 432690564 /nfs/dbraw/zinc/69/05/64/432690564.db2.gz FEDRZSULQVCAGB-IAGOWNOFSA-N 1 0 317.408 3.196 10 0 DGAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187851928 432690741 /nfs/dbraw/zinc/69/07/41/432690741.db2.gz JJDVJSMFZHDQPH-DZGCQCFKSA-N 1 0 305.418 3.284 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2csc(Br)c2)[C@H]2CCO[C@H]21 ZINC000266093926 432752110 /nfs/dbraw/zinc/75/21/10/432752110.db2.gz ZNCVQZDQWKBBAO-YUSALJHKSA-N 1 0 316.264 3.414 10 0 DGAERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000178581022 432755384 /nfs/dbraw/zinc/75/53/84/432755384.db2.gz CHKJSFIVZWCTFF-KGLIPLIRSA-N 1 0 312.479 3.391 10 0 DGAERO COc1ccccc1/C=C/C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000189007102 432758189 /nfs/dbraw/zinc/75/81/89/432758189.db2.gz DCYJWQDWUHAXIW-ZAOIQFLMSA-N 1 0 311.425 3.210 10 0 DGAERO CC(C)Sc1ccc([C@@H](C)[NH2+]CC2(O)CCOCC2)cc1 ZINC000178637163 432761397 /nfs/dbraw/zinc/76/13/97/432761397.db2.gz ACFMVGSOAWKEEO-CQSZACIVSA-N 1 0 309.475 3.379 10 0 DGAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000178719979 432769910 /nfs/dbraw/zinc/76/99/10/432769910.db2.gz MLUNEJMPRBHUNU-NEPJUHHUSA-N 1 0 303.454 3.400 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]CCOC(F)(F)F)C(C)C ZINC000189225552 432771735 /nfs/dbraw/zinc/77/17/35/432771735.db2.gz PYLLUHVYNLWSCW-ZDUSSCGKSA-N 1 0 305.340 3.388 10 0 DGAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000189353998 432780924 /nfs/dbraw/zinc/78/09/24/432780924.db2.gz VKJZFYSXUJDCSG-LSDHHAIUSA-N 1 0 307.438 3.356 10 0 DGAERO CO[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1C ZINC000189363619 432780941 /nfs/dbraw/zinc/78/09/41/432780941.db2.gz GJIACFTVVHJUHE-DOMZBBRYSA-N 1 0 310.825 3.025 10 0 DGAERO COc1ccc(OC)c(C[N@H+](CC[C@H]2CCCO2)C2CC2)c1 ZINC000188566442 432732732 /nfs/dbraw/zinc/73/27/32/432732732.db2.gz FGZQAIIMCULKBL-MRXNPFEDSA-N 1 0 305.418 3.237 10 0 DGAERO COc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)ccc1Cl ZINC000232201323 432735616 /nfs/dbraw/zinc/73/56/16/432735616.db2.gz CSVCMQNYVNEQMG-SWHYSGLUSA-N 1 0 308.809 3.208 10 0 DGAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)C3CCC3)C2)c1 ZINC000178443155 432736249 /nfs/dbraw/zinc/73/62/49/432736249.db2.gz CKVXTZAFTHJGES-GJZGRUSLSA-N 1 0 318.461 3.308 10 0 DGAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCc1ccco1 ZINC000275625087 432736297 /nfs/dbraw/zinc/73/62/97/432736297.db2.gz RXEQQPQNKDULQU-RVKKMQEKSA-N 1 0 317.433 3.185 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]CCCO[C@@H]1CCOC1)C(C)C ZINC000178441231 432737438 /nfs/dbraw/zinc/73/74/38/432737438.db2.gz YTBATQYVXHQXSW-MSOLQXFVSA-N 1 0 321.461 3.048 10 0 DGAERO CCc1nc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)s1 ZINC000178443786 432737488 /nfs/dbraw/zinc/73/74/88/432737488.db2.gz OBOQFILAFDFDRE-FZMZJTMJSA-N 1 0 320.458 3.407 10 0 DGAERO Cc1ccc2c(CC[NH2+][C@H]3CCCc4c3cnn4C)cn(C)c2c1 ZINC000188696255 432740128 /nfs/dbraw/zinc/74/01/28/432740128.db2.gz CRIBVONULAZVEE-SFHVURJKSA-N 1 0 322.456 3.430 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000188725300 432742687 /nfs/dbraw/zinc/74/26/87/432742687.db2.gz LBFUZWNFYPGIGL-AWEZNQCLSA-N 1 0 319.412 3.391 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000188795743 432744874 /nfs/dbraw/zinc/74/48/74/432744874.db2.gz ACIQMOORUUFCGA-IFMYKAFSSA-N 1 0 318.442 3.239 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccncc2OC)cc1 ZINC000188776428 432745216 /nfs/dbraw/zinc/74/52/16/432745216.db2.gz VNJNHMQFQWSBRO-KGLIPLIRSA-N 1 0 300.402 3.381 10 0 DGAERO COc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccncc1OC ZINC000188785596 432746058 /nfs/dbraw/zinc/74/60/58/432746058.db2.gz JMQGPEFCXHZULI-UONOGXRCSA-N 1 0 300.402 3.381 10 0 DGAERO CCOc1c(OC)cc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1OC ZINC000189739071 432816147 /nfs/dbraw/zinc/81/61/47/432816147.db2.gz RVVMPKAPBLJFGR-CQSZACIVSA-N 1 0 323.433 3.150 10 0 DGAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000162283497 432819115 /nfs/dbraw/zinc/81/91/15/432819115.db2.gz JTDCJYSNSGYGBK-HNAYVOBHSA-N 1 0 314.429 3.472 10 0 DGAERO Cc1ccc(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000162321811 432820681 /nfs/dbraw/zinc/82/06/81/432820681.db2.gz YCDUIOIAYUNKBK-HXUWFJFHSA-N 1 0 323.440 3.175 10 0 DGAERO C[C@]1(CNC(=O)C2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000162407843 432822518 /nfs/dbraw/zinc/82/25/18/432822518.db2.gz YWHHAWLCEINAHN-LJQANCHMSA-N 1 0 300.446 3.348 10 0 DGAERO O=C(NCC[NH2+][C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000162513825 432826293 /nfs/dbraw/zinc/82/62/93/432826293.db2.gz PTSAAHJOGQAPLX-MRXNPFEDSA-N 1 0 312.438 3.243 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000245513650 432839317 /nfs/dbraw/zinc/83/93/17/432839317.db2.gz AOTXSWLPWCISPJ-LNLFQRSKSA-N 1 0 316.489 3.362 10 0 DGAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCNC(=O)c1ccccc1 ZINC000162512991 432826428 /nfs/dbraw/zinc/82/64/28/432826428.db2.gz BLASWBIVZFGADJ-SFHVURJKSA-N 1 0 324.424 3.228 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000245412555 432828729 /nfs/dbraw/zinc/82/87/29/432828729.db2.gz ACCQXEUWEHFXGS-NVXWUHKLSA-N 1 0 303.450 3.182 10 0 DGAERO CN(C)C(=O)C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000162590551 432828787 /nfs/dbraw/zinc/82/87/87/432828787.db2.gz KDNDTKFQGDGALP-UHFFFAOYSA-N 1 0 302.443 3.202 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)ccc1F ZINC000245426284 432829562 /nfs/dbraw/zinc/82/95/62/432829562.db2.gz FVUZUOPFUDEANQ-STQMWFEESA-N 1 0 309.360 3.055 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)cc1C ZINC000245429554 432829982 /nfs/dbraw/zinc/82/99/82/432829982.db2.gz KPZXXXHEBGYBCF-CABCVRRESA-N 1 0 305.397 3.225 10 0 DGAERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000162673394 432830900 /nfs/dbraw/zinc/83/09/00/432830900.db2.gz PEIKGOWUECXLOE-BDAKNGLRSA-N 1 0 306.631 3.209 10 0 DGAERO C[C@H]1C[N@H+](CCn2cnc3ccccc3c2=O)[C@H]1c1ccccc1 ZINC000245439045 432830926 /nfs/dbraw/zinc/83/09/26/432830926.db2.gz SNGFZJJHABPDTL-HNAYVOBHSA-N 1 0 319.408 3.090 10 0 DGAERO C[C@@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@H]1c1cccc(F)c1 ZINC000245458518 432833711 /nfs/dbraw/zinc/83/37/11/432833711.db2.gz CYGKAHSGDXUWNU-KBRIMQKVSA-N 1 0 309.425 3.385 10 0 DGAERO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000245467039 432834487 /nfs/dbraw/zinc/83/44/87/432834487.db2.gz JTPLODRVDFZCLJ-QWHCGFSZSA-N 1 0 302.422 3.256 10 0 DGAERO CC(C)C[C@H](C[NH3+])Nc1ncc(Cl)cc1Br ZINC000162819444 432835346 /nfs/dbraw/zinc/83/53/46/432835346.db2.gz RKBKXUOEDYAETQ-SECBINFHSA-N 1 0 306.635 3.283 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccccc1C ZINC000245471020 432835668 /nfs/dbraw/zinc/83/56/68/432835668.db2.gz NMRSKNKLWFPVCZ-HZPDHXFCSA-N 1 0 303.450 3.182 10 0 DGAERO CCC(C)(C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162843742 432835832 /nfs/dbraw/zinc/83/58/32/432835832.db2.gz BFIJVLOZZSFAHZ-UHFFFAOYSA-N 1 0 303.450 3.270 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000245497821 432837239 /nfs/dbraw/zinc/83/72/39/432837239.db2.gz UVJXLSBACGEISL-FZMZJTMJSA-N 1 0 322.478 3.215 10 0 DGAERO c1sc(C2CC2)nc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000161619832 432789723 /nfs/dbraw/zinc/78/97/23/432789723.db2.gz ZABGVUJEZPOQPT-UHFFFAOYSA-N 1 0 305.491 3.328 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000178952129 432789900 /nfs/dbraw/zinc/78/99/00/432789900.db2.gz IMJPCAKOXCURGX-HKUYNNGSSA-N 1 0 322.456 3.421 10 0 DGAERO CNC(=O)[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2C)o1)C(C)C ZINC000178951221 432790017 /nfs/dbraw/zinc/79/00/17/432790017.db2.gz SINHUMBENQTSJC-QGZVFWFLSA-N 1 0 318.392 3.254 10 0 DGAERO O=C1NCC[C@H]1[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000178991960 432793829 /nfs/dbraw/zinc/79/38/29/432793829.db2.gz IWBNVOGWRORVAQ-SJORKVTESA-N 1 0 314.816 3.102 10 0 DGAERO Cn1cccc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179035365 432798122 /nfs/dbraw/zinc/79/81/22/432798122.db2.gz FJQSCPJLORFOOL-IAGOWNOFSA-N 1 0 321.827 3.353 10 0 DGAERO CN1CC[C@H]([NH2+]CC2=CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179036208 432798648 /nfs/dbraw/zinc/79/86/48/432798648.db2.gz PXWUXTQAUGUKTD-IRXDYDNUSA-N 1 0 324.827 3.161 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245518447 432838645 /nfs/dbraw/zinc/83/86/45/432838645.db2.gz AREPWDJTFLZWPW-IJEWVQPXSA-N 1 0 320.864 3.214 10 0 DGAERO [NH3+][C@H](CC(=O)N(C[C@@H]1CCCO1)C1CCCC1)c1ccccc1 ZINC000237829852 432802135 /nfs/dbraw/zinc/80/21/35/432802135.db2.gz ISQNRLKEZJMKHV-ZWKOTPCHSA-N 1 0 316.445 3.027 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCCCC2)C1 ZINC000237866402 432803153 /nfs/dbraw/zinc/80/31/53/432803153.db2.gz DGFKOQLILOMXDF-PBHICJAKSA-N 1 0 318.436 3.271 10 0 DGAERO Cc1ccn(-c2ccccc2NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000237896114 432803621 /nfs/dbraw/zinc/80/36/21/432803621.db2.gz DRDRXUMAFAAWBG-MQVJKMGUSA-N 1 0 324.428 3.040 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2(c3cccc(F)c3)CCCCC2)C1 ZINC000237958870 432805575 /nfs/dbraw/zinc/80/55/75/432805575.db2.gz DGFKOQLILOMXDF-WMLDXEAASA-N 1 0 318.436 3.271 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000237964031 432805948 /nfs/dbraw/zinc/80/59/48/432805948.db2.gz PTRXQYNSJDPAEP-FQEVSTJZSA-N 1 0 323.440 3.067 10 0 DGAERO C[C@@H](c1cccc(F)c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189669322 432809475 /nfs/dbraw/zinc/80/94/75/432809475.db2.gz KJSQFIBBNSANKK-ZDUSSCGKSA-N 1 0 314.408 3.309 10 0 DGAERO COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000189713399 432813499 /nfs/dbraw/zinc/81/34/99/432813499.db2.gz VOIAEZHOLLIAET-CYBMUJFWSA-N 1 0 315.360 3.344 10 0 DGAERO O=C(N[C@H](Cc1ccccc1)C1CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238138901 432813592 /nfs/dbraw/zinc/81/35/92/432813592.db2.gz HTQYJFWOXZUQLE-OKYOBFRVSA-N 1 0 312.457 3.045 10 0 DGAERO CCCOc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245745877 432860270 /nfs/dbraw/zinc/86/02/70/432860270.db2.gz GQNYMVFLORVKAM-GDBMZVCRSA-N 1 0 317.433 3.176 10 0 DGAERO CC(C)OCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245837045 432864952 /nfs/dbraw/zinc/86/49/52/432864952.db2.gz HGZBHSIXMFWSKO-WBVHZDCISA-N 1 0 324.852 3.017 10 0 DGAERO Clc1cccc(N2CCCC2)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245853264 432865595 /nfs/dbraw/zinc/86/55/95/432865595.db2.gz MXJVRQHGAILIQB-HNNXBMFYSA-N 1 0 319.880 3.220 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C[C@H]1CCCc2ccccc21 ZINC000245915733 432868740 /nfs/dbraw/zinc/86/87/40/432868740.db2.gz NRTJTTPHCHXKTR-HLLBOEOZSA-N 1 0 300.446 3.048 10 0 DGAERO CCCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000245902734 432868749 /nfs/dbraw/zinc/86/87/49/432868749.db2.gz OCZODRJYXJFLTC-USXIJHARSA-N 1 0 304.434 3.164 10 0 DGAERO COc1ccc(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000245934609 432871018 /nfs/dbraw/zinc/87/10/18/432871018.db2.gz SZUUSRUMXZOAOJ-RCCFBDPRSA-N 1 0 303.446 3.421 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1nc2ccc(Cl)cc2n1C ZINC000245937769 432871088 /nfs/dbraw/zinc/87/10/88/432871088.db2.gz AFXDXNLDLKVQAW-ZIBATOQPSA-N 1 0 307.825 3.445 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000245950751 432872371 /nfs/dbraw/zinc/87/23/71/432872371.db2.gz WLLBHCXIHWQLMB-CGTJXYLNSA-N 1 0 317.477 3.221 10 0 DGAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000245943159 432872790 /nfs/dbraw/zinc/87/27/90/432872790.db2.gz VGZBRAINQGFPLC-JCHJZTRSSA-N 1 0 314.473 3.306 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000245970853 432873285 /nfs/dbraw/zinc/87/32/85/432873285.db2.gz VTNYASANPBNMIR-KLHDSHLOSA-N 1 0 318.486 3.245 10 0 DGAERO CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000246023314 432874442 /nfs/dbraw/zinc/87/44/42/432874442.db2.gz MFTOSTJJZOBKQS-QLFBSQMISA-N 1 0 324.415 3.161 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246045846 432875293 /nfs/dbraw/zinc/87/52/93/432875293.db2.gz UAGQZLGCMXQAHN-SNPRPXQTSA-N 1 0 322.399 3.059 10 0 DGAERO CCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246037260 432875497 /nfs/dbraw/zinc/87/54/97/432875497.db2.gz OLNJBEYEUGUBOT-WMLDXEAASA-N 1 0 319.449 3.279 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000245523867 432840272 /nfs/dbraw/zinc/84/02/72/432840272.db2.gz NGSUTUOUJHKEHO-QRQLOZEOSA-N 1 0 314.473 3.259 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(F)c1C ZINC000245578704 432847211 /nfs/dbraw/zinc/84/72/11/432847211.db2.gz HJYVLNJEROMTCY-KGLIPLIRSA-N 1 0 305.397 3.225 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245590058 432847872 /nfs/dbraw/zinc/84/78/72/432847872.db2.gz AXQRNBMLXYIHKN-RLFYNMQTSA-N 1 0 317.477 3.434 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCCc2ccccc2)C1 ZINC000245609216 432848727 /nfs/dbraw/zinc/84/87/27/432848727.db2.gz AOEMPEQYUGOVFQ-SJLPKXTDSA-N 1 0 302.462 3.246 10 0 DGAERO C[C@@H]1CN(CCC[NH+]2CCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245597959 432849598 /nfs/dbraw/zinc/84/95/98/432849598.db2.gz HYSQJYFWLXXNKP-QAPCUYQASA-N 1 0 306.425 3.073 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C)c2Cl)[C@@H](C)C1 ZINC000245621656 432850464 /nfs/dbraw/zinc/85/04/64/432850464.db2.gz BCKCKFDSFDNSPY-ZFWWWQNUSA-N 1 0 308.853 3.451 10 0 DGAERO Cc1ncccc1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163361934 432850906 /nfs/dbraw/zinc/85/09/06/432850906.db2.gz YVRBLFSFQJAUAV-FQEVSTJZSA-N 1 0 323.440 3.175 10 0 DGAERO CCCc1csc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)n1 ZINC000245638332 432851847 /nfs/dbraw/zinc/85/18/47/432851847.db2.gz XRKUEQNNSWDUOU-OCCSQVGLSA-N 1 0 324.494 3.290 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000163428743 432852387 /nfs/dbraw/zinc/85/23/87/432852387.db2.gz DNTJOHJTFYUCKF-NVXWUHKLSA-N 1 0 308.853 3.028 10 0 DGAERO CC[C@H](C)[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245649543 432853536 /nfs/dbraw/zinc/85/35/36/432853536.db2.gz MKOLUVINDGBSHL-OTRWWLKZSA-N 1 0 303.450 3.166 10 0 DGAERO C[C@@]1(CNC(=O)CC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000163486199 432853731 /nfs/dbraw/zinc/85/37/31/432853731.db2.gz MFRQIMUEJKMEDO-HNNXBMFYSA-N 1 0 314.351 3.110 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2F)[C@H]1c1ccccc1 ZINC000245674788 432854424 /nfs/dbraw/zinc/85/44/24/432854424.db2.gz SXWFAHDZABHTBF-DLBZAZTESA-N 1 0 313.376 3.393 10 0 DGAERO CSc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000163527889 432855142 /nfs/dbraw/zinc/85/51/42/432855142.db2.gz PLOYHWJVGIPQLG-WCQYABFASA-N 1 0 310.438 3.102 10 0 DGAERO CCC[C@H](C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1)[NH+](C)C ZINC000245733334 432858914 /nfs/dbraw/zinc/85/89/14/432858914.db2.gz ZKIAJPQBXZYPSD-KURKYZTESA-N 1 0 318.461 3.001 10 0 DGAERO COc1c(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c(C)nn1C ZINC000245722142 432859254 /nfs/dbraw/zinc/85/92/54/432859254.db2.gz IBOUZUQAJBWFMF-YOEHRIQHSA-N 1 0 313.445 3.363 10 0 DGAERO CC(=O)c1cccc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000341259635 433006723 /nfs/dbraw/zinc/00/67/23/433006723.db2.gz CMVKPGLSWOYRKD-ZIAGYGMSSA-N 1 0 317.433 3.274 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000341294097 433019684 /nfs/dbraw/zinc/01/96/84/433019684.db2.gz RIZWARVSQUPVOZ-ZIAGYGMSSA-N 1 0 317.433 3.274 10 0 DGAERO c1c(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)nc2ncccn12 ZINC000298053020 433044176 /nfs/dbraw/zinc/04/41/76/433044176.db2.gz IYPSLIFWYGVWQW-IAGOWNOFSA-N 1 0 306.413 3.230 10 0 DGAERO [NH3+]Cc1cccnc1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000333253028 433044216 /nfs/dbraw/zinc/04/42/16/433044216.db2.gz CUAODHJXRUALFU-GZBFAFLISA-N 1 0 302.422 3.021 10 0 DGAERO C[C@@H](NC(=O)Nc1ccc2c(c1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000333346738 433049477 /nfs/dbraw/zinc/04/94/77/433049477.db2.gz QRPNWSCZEUTSQH-CJNGLKHVSA-N 1 0 301.434 3.075 10 0 DGAERO CC[C@@H]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000156002793 292721630 /nfs/dbraw/zinc/72/16/30/292721630.db2.gz WQFBBBVELPMJLT-SJLPKXTDSA-N 1 0 321.509 3.473 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000107591084 289314752 /nfs/dbraw/zinc/31/47/52/289314752.db2.gz QHOWBFKVWWWZRE-ATZDWAIDSA-N 1 0 308.425 3.106 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ncc(Br)s2)C[C@H](C)O1 ZINC000341476660 433081821 /nfs/dbraw/zinc/08/18/21/433081821.db2.gz YBWAGLWGCRESFG-ILWJIGKKSA-N 1 0 319.268 3.199 10 0 DGAERO Cc1c(Cl)cncc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333657378 433083811 /nfs/dbraw/zinc/08/38/11/433083811.db2.gz LNBQJBMCSVTUQU-YHWZYXNKSA-N 1 0 322.840 3.180 10 0 DGAERO c1ccc2c(c1)CO[C@@]21CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000373106921 433091661 /nfs/dbraw/zinc/09/16/61/433091661.db2.gz NYNVEWMPLONFSM-RTBURBONSA-N 1 0 317.429 3.051 10 0 DGAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc4cc(Cl)cc(Cl)c4o3)C[C@@H]12 ZINC000333926836 433127986 /nfs/dbraw/zinc/12/79/86/433127986.db2.gz VVIXOVSAYABSRC-BCMRRPTOSA-N 1 0 312.200 3.308 10 0 DGAERO Cc1ccc(F)c(C[N@H+](C)Cc2ccc(-n3cncn3)cc2)c1 ZINC000446974307 433141190 /nfs/dbraw/zinc/14/11/90/433141190.db2.gz HYHBHFZXFIXEDE-UHFFFAOYSA-N 1 0 310.376 3.347 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)COCc2cccs2)c1 ZINC000157310154 292743668 /nfs/dbraw/zinc/74/36/68/292743668.db2.gz WWJFLMRQJZFXOQ-ZBFHGGJFSA-N 1 0 305.443 3.285 10 0 DGAERO COC(=O)COc1c(C)cc(C[N@@H+]2CCCC23CCC3)cc1C ZINC000446849332 433118405 /nfs/dbraw/zinc/11/84/05/433118405.db2.gz NGGBXWATBARPSZ-UHFFFAOYSA-N 1 0 317.429 3.374 10 0 DGAERO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(OC)ccc1OC ZINC000447071250 433154141 /nfs/dbraw/zinc/15/41/41/433154141.db2.gz XEHANBHZQUQGQG-SFHVURJKSA-N 1 0 307.434 3.485 10 0 DGAERO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000447068759 433155184 /nfs/dbraw/zinc/15/51/84/433155184.db2.gz PRQZUFCPZLQTTN-GOSISDBHSA-N 1 0 314.433 3.048 10 0 DGAERO CC[C@@H]([NH2+][C@@H](CC)c1cccc(Br)c1)C(=O)NC ZINC000453415822 433172683 /nfs/dbraw/zinc/17/26/83/433172683.db2.gz UCOWEBRUSCGEEX-QWHCGFSZSA-N 1 0 313.239 3.014 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000157645924 292750173 /nfs/dbraw/zinc/75/01/73/292750173.db2.gz KXECUCWPSZXJSL-UHFFFAOYSA-N 1 0 307.413 3.378 10 0 DGAERO c1ccc2cc(OCCN3CCC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000420364033 433180589 /nfs/dbraw/zinc/18/05/89/433180589.db2.gz IFWRKNAZDHWOGE-FQEVSTJZSA-N 1 0 310.441 3.294 10 0 DGAERO CCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cn1 ZINC000336713851 433186900 /nfs/dbraw/zinc/18/69/00/433186900.db2.gz NURPQLNRIBTTMR-VQIMIIECSA-N 1 0 312.461 3.046 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(CC(C)C)CC(C)C)CC1 ZINC000157785565 292752420 /nfs/dbraw/zinc/75/24/20/292752420.db2.gz FNXPVHMARVRHSI-UHFFFAOYSA-N 1 0 311.514 3.432 10 0 DGAERO c1cn2c(cccc2C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)n1 ZINC000374498377 433204753 /nfs/dbraw/zinc/20/47/53/433204753.db2.gz VCLVZARTTLWZQA-APWZRJJASA-N 1 0 307.397 3.202 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cn2)nc1 ZINC000425400184 433222479 /nfs/dbraw/zinc/22/24/79/433222479.db2.gz CITIJRKMRUWLJP-INIZCTEOSA-N 1 0 309.413 3.145 10 0 DGAERO CC1(C)C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@@]2(CCOC2)O1 ZINC000361530555 433227106 /nfs/dbraw/zinc/22/71/06/433227106.db2.gz YZQIIDNUYARDMZ-FUHWJXTLSA-N 1 0 305.393 3.083 10 0 DGAERO Cc1ccc2c(c1)CN(C(=O)NC1CCC(C[NH+](C)C)CC1)C2 ZINC000361538581 433229131 /nfs/dbraw/zinc/22/91/31/433229131.db2.gz BQRYLCOHZKIHHV-UHFFFAOYSA-N 1 0 315.461 3.141 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000291664801 433306719 /nfs/dbraw/zinc/30/67/19/433306719.db2.gz FOXYTGLAALWBCX-WGSAOQKQSA-N 1 0 318.424 3.362 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000448021337 433348206 /nfs/dbraw/zinc/34/82/06/433348206.db2.gz ICPJQGKOTVEFLS-YJBOKZPZSA-N 1 0 304.478 3.336 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]C(C1CCC1)C1CCC1 ZINC000291792476 433353969 /nfs/dbraw/zinc/35/39/69/433353969.db2.gz WHYBROWDFWRQII-UHFFFAOYSA-N 1 0 310.445 3.385 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC[S@@](=O)c1ccccc1 ZINC000361719617 433358074 /nfs/dbraw/zinc/35/80/74/433358074.db2.gz DNVAYCDHYIZNHH-IVZQSRNASA-N 1 0 317.454 3.063 10 0 DGAERO CCc1nc(C)c(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)s1 ZINC000448076684 433360269 /nfs/dbraw/zinc/36/02/69/433360269.db2.gz IKXFOWMLFMQBQC-GFCCVEGCSA-N 1 0 324.494 3.256 10 0 DGAERO C[N@@H+]1CCCC12CCN(c1ncnc3c4ccccc4oc31)CC2 ZINC000374986252 433329919 /nfs/dbraw/zinc/32/99/19/433329919.db2.gz IKGBVGNHBUDHCK-UHFFFAOYSA-N 1 0 322.412 3.441 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H]1COCCO1 ZINC000342043257 433430293 /nfs/dbraw/zinc/43/02/93/433430293.db2.gz KGOWEHNJVHRLIK-XCHKQJEOSA-N 1 0 315.335 3.114 10 0 DGAERO c1cc(COc2ccc(C[N@@H+]3CC[C@]34CCOC4)cc2)ccn1 ZINC000421016448 433384281 /nfs/dbraw/zinc/38/42/81/433384281.db2.gz JGYJUBDVFXYSHV-LJQANCHMSA-N 1 0 310.397 3.025 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)n(-c2ccccc2)n1 ZINC000448333123 433384953 /nfs/dbraw/zinc/38/49/53/433384953.db2.gz AOFQFUHXESBWHB-IBGZPJMESA-N 1 0 311.429 3.263 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000361798794 433395344 /nfs/dbraw/zinc/39/53/44/433395344.db2.gz NGRLPAOPZAAFHU-MRXNPFEDSA-N 1 0 314.433 3.345 10 0 DGAERO C[C@H]([NH2+]CC(C)(C)O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000103168587 289943716 /nfs/dbraw/zinc/94/37/16/289943716.db2.gz NDQBYUACYLXOFL-AWEZNQCLSA-N 1 0 312.413 3.360 10 0 DGAERO c1cc(CCC[N@@H+]2CC[C@@]3(C2)CCCOC3)cc2c1OCC2 ZINC000375300636 433418598 /nfs/dbraw/zinc/41/85/98/433418598.db2.gz BVTPNQZJSFKACW-LJQANCHMSA-N 1 0 301.430 3.057 10 0 DGAERO c1ncn(Cc2ccccc2)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342028627 433420527 /nfs/dbraw/zinc/42/05/27/433420527.db2.gz ZAAHCYYARHPUCN-OALUTQOASA-N 1 0 311.429 3.075 10 0 DGAERO c1cc(OCC2CC2)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375305602 433423984 /nfs/dbraw/zinc/42/39/84/433423984.db2.gz XFLOKDIZANFWSQ-LJQANCHMSA-N 1 0 301.430 3.478 10 0 DGAERO CCc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1F ZINC000159007163 292782019 /nfs/dbraw/zinc/78/20/19/292782019.db2.gz RARHMZAJZQAQCP-UHFFFAOYSA-N 1 0 305.397 3.136 10 0 DGAERO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000355100718 433461637 /nfs/dbraw/zinc/46/16/37/433461637.db2.gz BAUOYUSLFNPZPR-JSGCOSHPSA-N 1 0 303.431 3.139 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCC[S@](C)=O ZINC000342097392 433467004 /nfs/dbraw/zinc/46/70/04/433467004.db2.gz HDQSBRFYJKSATE-ZAGZISDZSA-N 1 0 319.392 3.467 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCC3(CCC3)C2)[C@@H]1c1ccccc1 ZINC000179270933 290135327 /nfs/dbraw/zinc/13/53/27/290135327.db2.gz WSOAGSLYHXSCGG-SJORKVTESA-N 1 0 313.445 3.017 10 0 DGAERO c1coc(-c2nc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)cs2)c1 ZINC000355111121 433468717 /nfs/dbraw/zinc/46/87/17/433468717.db2.gz LYAQUZQCMXZJAP-OCCSQVGLSA-N 1 0 304.415 3.404 10 0 DGAERO C[C@H](c1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261559211 290245089 /nfs/dbraw/zinc/24/50/89/290245089.db2.gz DPLSNDVQXPFKMT-XBFCOCLRSA-N 1 0 309.251 3.051 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980143 433478531 /nfs/dbraw/zinc/47/85/31/433478531.db2.gz HOOWNPQGTCMDDM-ACAXCVFMSA-N 1 0 316.489 3.038 10 0 DGAERO CC(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414247927 433483896 /nfs/dbraw/zinc/48/38/96/433483896.db2.gz CVTZJCIXTOHIOD-UHFFFAOYSA-N 1 0 314.351 3.114 10 0 DGAERO Brc1ccccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000355137998 433484471 /nfs/dbraw/zinc/48/44/71/433484471.db2.gz RQFLHFSLTQYXOC-HIFRSBDPSA-N 1 0 310.235 3.450 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000282160987 433514148 /nfs/dbraw/zinc/51/41/48/433514148.db2.gz IMCGTMDUPYNHOX-IZZQQSIFSA-N 1 0 316.489 3.444 10 0 DGAERO c1cn(-c2ccccc2)c(C[NH2+]C[C@@H]2CC23CCSCC3)n1 ZINC000421372844 433520943 /nfs/dbraw/zinc/52/09/43/433520943.db2.gz GCKBFUCLJDOUCI-HNNXBMFYSA-N 1 0 313.470 3.495 10 0 DGAERO c1cc(C[NH+]2CCC(Oc3cnccn3)CC2)cc(C2CC2)c1 ZINC000421374782 433521478 /nfs/dbraw/zinc/52/14/78/433521478.db2.gz DEFSCJMCJWZGJO-UHFFFAOYSA-N 1 0 309.413 3.397 10 0 DGAERO Fc1ccc2ncnc(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000301372320 433525939 /nfs/dbraw/zinc/52/59/39/433525939.db2.gz QAHCTCTYLRJKGC-UHFFFAOYSA-N 1 0 314.408 3.081 10 0 DGAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(C(F)F)CC1 ZINC000362105699 433529172 /nfs/dbraw/zinc/52/91/72/433529172.db2.gz IQDUHKWRJWAYGK-UHFFFAOYSA-N 1 0 322.399 3.400 10 0 DGAERO c1cc(N2CCOCC2)ncc1C[NH2+]C1CC2(C1)CCCCC2 ZINC000421336064 433485975 /nfs/dbraw/zinc/48/59/75/433485975.db2.gz VOHUZHFZQYNOTF-UHFFFAOYSA-N 1 0 315.461 3.121 10 0 DGAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)c(C)o1 ZINC000414262819 433493921 /nfs/dbraw/zinc/49/39/21/433493921.db2.gz DFCYWAMPEUPNNK-HACGYAERSA-N 1 0 303.406 3.058 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]C[C@@H]3CC34CCSCC4)cc2)c1 ZINC000421353458 433496789 /nfs/dbraw/zinc/49/67/89/433496789.db2.gz PPVWGORPWYLKTB-INIZCTEOSA-N 1 0 313.470 3.495 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]Cc1cnnn1C ZINC000342238496 433558290 /nfs/dbraw/zinc/55/82/90/433558290.db2.gz CRMOKIPQCQWUPH-IZZDOVSWSA-N 1 0 310.323 3.027 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(Cl)cc1Cl ZINC000282312219 433563989 /nfs/dbraw/zinc/56/39/89/433563989.db2.gz KNCLAUXEKOOXMY-RVBZMBCESA-N 1 0 301.217 3.311 10 0 DGAERO c1cn(-c2ccccc2)c(NCc2cc(-c3cccnc3)n[nH]2)[nH+]1 ZINC000351570489 433588245 /nfs/dbraw/zinc/58/82/45/433588245.db2.gz WIOVSGZGLMYDGV-UHFFFAOYSA-N 1 0 316.368 3.270 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000162636845 292856619 /nfs/dbraw/zinc/85/66/19/292856619.db2.gz KIWSWGDRMMDYDF-ZWKOTPCHSA-N 1 0 306.494 3.441 10 0 DGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CC/C=C\c1ccccc1 ZINC000456340933 433602627 /nfs/dbraw/zinc/60/26/27/433602627.db2.gz ASXDBUVDBGYNFS-XSZJWBAASA-N 1 0 300.446 3.423 10 0 DGAERO FC(F)(F)Oc1ccc(N2CCC([NH+]3CCCC3)CC2)nc1 ZINC000302266280 292887040 /nfs/dbraw/zinc/88/70/40/292887040.db2.gz FPEITNWYNKUIBZ-UHFFFAOYSA-N 1 0 315.339 3.045 10 0 DGAERO CC(C)(C)OCC[NH2+]Cc1cc(O)ccc1Br ZINC000315456700 292891627 /nfs/dbraw/zinc/89/16/27/292891627.db2.gz RMHAVPDZIVPPNU-UHFFFAOYSA-N 1 0 302.212 3.059 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000414485167 433652578 /nfs/dbraw/zinc/65/25/78/433652578.db2.gz PBUKGBUOMWNGRD-HKUYNNGSSA-N 1 0 310.445 3.242 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]CCc1cc(C)no1)CCCO2 ZINC000376075790 433660895 /nfs/dbraw/zinc/66/08/95/433660895.db2.gz ZBMYSKBBJXEYKU-INIZCTEOSA-N 1 0 302.374 3.038 10 0 DGAERO CCC[N@@H+]1CCCN(c2cc(C)nc3c(OC)cccc23)CC1 ZINC000301667391 433664777 /nfs/dbraw/zinc/66/47/77/433664777.db2.gz MGEFFFHZQLXLAB-UHFFFAOYSA-N 1 0 313.445 3.474 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449017104 433667342 /nfs/dbraw/zinc/66/73/42/433667342.db2.gz GYBSYEDYIDUNDW-GJZGRUSLSA-N 1 0 309.475 3.316 10 0 DGAERO C[C@@H](C[N@@H+]1C[C@@H](C)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449026451 433680462 /nfs/dbraw/zinc/68/04/62/433680462.db2.gz GCFJKHVVCACXCK-KBPBESRZSA-N 1 0 309.475 3.314 10 0 DGAERO Cc1cccc2c(NCCCOC[C@@H]3CCOC3)cc[nH+]c12 ZINC000301697777 433684298 /nfs/dbraw/zinc/68/42/98/433684298.db2.gz ZSXIIZCDXHWUSX-HNNXBMFYSA-N 1 0 300.402 3.398 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC(F)F ZINC000367181548 293035150 /nfs/dbraw/zinc/03/51/50/293035150.db2.gz YUWKRQOYCINBCI-ZBFHGGJFSA-N 1 0 312.404 3.116 10 0 DGAERO Cc1ccnc(C2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)n1 ZINC000367214060 293039360 /nfs/dbraw/zinc/03/93/60/293039360.db2.gz YZZZIVWJPQKCPE-GOSISDBHSA-N 1 0 311.429 3.088 10 0 DGAERO c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000367294433 293049565 /nfs/dbraw/zinc/04/95/65/293049565.db2.gz KZXFMXNPGKPTCQ-MUQADHOPSA-N 1 0 301.430 3.348 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC000367467488 293076804 /nfs/dbraw/zinc/07/68/04/293076804.db2.gz PQSYULZMBMSHFR-UHFFFAOYSA-N 1 0 319.412 3.246 10 0 DGAERO c1sc(-c2ccccn2)nc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000368501629 293128551 /nfs/dbraw/zinc/12/85/51/293128551.db2.gz CBHORBWXFQPJIC-KRWDZBQOSA-N 1 0 315.442 3.208 10 0 DGAERO C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCCCN1C1CC1 ZINC000370080447 293154511 /nfs/dbraw/zinc/15/45/11/293154511.db2.gz IKMBQAGDPUQZDJ-OWYHZJEWSA-N 1 0 306.494 3.188 10 0 DGAERO CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000456523628 433707682 /nfs/dbraw/zinc/70/76/82/433707682.db2.gz FKULOFFFXUKLBU-NOLJZWGESA-N 1 0 322.399 3.011 10 0 DGAERO c1onc(Cc2ccccc2)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000351757507 433709603 /nfs/dbraw/zinc/70/96/03/433709603.db2.gz NSGGDZVDQFHNFE-APWZRJJASA-N 1 0 312.413 3.266 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)CC(C)(F)F)[C@H]1c1cccs1 ZINC000373775959 293315520 /nfs/dbraw/zinc/31/55/20/293315520.db2.gz QVRMHVWYVGUWRR-FZMZJTMJSA-N 1 0 316.417 3.293 10 0 DGAERO C=Cn1cc(CN2CCC(C(=O)c3ccc(C)cc3)CC2)cn1 ZINC000373922360 293332643 /nfs/dbraw/zinc/33/26/43/293332643.db2.gz KREVTNDILYCBJN-UHFFFAOYSA-N 1 0 309.413 3.387 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374101260 293351996 /nfs/dbraw/zinc/35/19/96/293351996.db2.gz XWFQXHFJLWOWOT-MRXNPFEDSA-N 1 0 322.493 3.106 10 0 DGAERO Cc1scc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000374108889 293353149 /nfs/dbraw/zinc/35/31/49/293353149.db2.gz PXXNLZGIMKXRPA-UHFFFAOYSA-N 1 0 306.475 3.313 10 0 DGAERO c1csc(-c2cc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)no2)c1 ZINC000362456057 433726182 /nfs/dbraw/zinc/72/61/82/433726182.db2.gz UOGPCDAXESEBGF-GXTWGEPZSA-N 1 0 304.415 3.404 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)[C@H](C)O1 ZINC000449155920 433727856 /nfs/dbraw/zinc/72/78/56/433727856.db2.gz CLYAARSUJQZPIR-MDLJMBGESA-N 1 0 308.491 3.287 10 0 DGAERO COc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCCOC2)cc1OC ZINC000356900114 433755534 /nfs/dbraw/zinc/75/55/34/433755534.db2.gz OKOFXHMZYORQKF-GDBMZVCRSA-N 1 0 307.434 3.041 10 0 DGAERO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000449701465 433763229 /nfs/dbraw/zinc/76/32/29/433763229.db2.gz WNZVBFYUCAZCKU-WMLDXEAASA-N 1 0 311.429 3.477 10 0 DGAERO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000449701466 433764040 /nfs/dbraw/zinc/76/40/40/433764040.db2.gz WNZVBFYUCAZCKU-YOEHRIQHSA-N 1 0 311.429 3.477 10 0 DGAERO c1nn2ccccc2c1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000356944695 433781165 /nfs/dbraw/zinc/78/11/65/433781165.db2.gz GRYYRKVKTFDDDP-MRXNPFEDSA-N 1 0 307.397 3.235 10 0 DGAERO CC(=O)c1cccc(NC(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000414678720 433788664 /nfs/dbraw/zinc/78/86/64/433788664.db2.gz QWDVGOZJKZFGSL-UHFFFAOYSA-N 1 0 303.406 3.062 10 0 DGAERO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cnn3ccccc23)c1 ZINC000449781945 433793274 /nfs/dbraw/zinc/79/32/74/433793274.db2.gz JRIUTWYZCWXJCP-CYBMUJFWSA-N 1 0 313.376 3.203 10 0 DGAERO CC(C)(C)n1cc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cn1 ZINC000343341963 433797439 /nfs/dbraw/zinc/79/74/39/433797439.db2.gz QAVKWYOVPWSRBC-DLBZAZTESA-N 1 0 317.408 3.085 10 0 DGAERO CCn1cc([C@@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)cn1 ZINC000376750898 433809941 /nfs/dbraw/zinc/80/99/41/433809941.db2.gz FTHQSSVBPQEKKT-CQSZACIVSA-N 1 0 309.417 3.154 10 0 DGAERO Cc1nc2c(c(N3CCCC[C@@H]([NH+]4CCCC4)C3)n1)CCCC2 ZINC000302067073 433810359 /nfs/dbraw/zinc/81/03/59/433810359.db2.gz WMXHEQSUIYGSPC-MRXNPFEDSA-N 1 0 314.477 3.119 10 0 DGAERO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC12CCC2 ZINC000435584087 433876683 /nfs/dbraw/zinc/87/66/83/433876683.db2.gz JRPCEQIMSDCUFP-UHFFFAOYSA-N 1 0 313.445 3.120 10 0 DGAERO c1cnn(-c2cccc(C[N@@H+](Cc3ccncc3)C3CC3)c2)c1 ZINC000376896566 433838570 /nfs/dbraw/zinc/83/85/70/433838570.db2.gz OFIFRUHMORCJAL-UHFFFAOYSA-N 1 0 304.397 3.432 10 0 DGAERO CSc1ccc(C[NH2+][C@@H]2CCCO[C@@H]2c2nccn2C)s1 ZINC000340040572 433896609 /nfs/dbraw/zinc/89/66/09/433896609.db2.gz JTXKAQQFBBKFKG-OCCSQVGLSA-N 1 0 323.487 3.213 10 0 DGAERO C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000362901130 433904157 /nfs/dbraw/zinc/90/41/57/433904157.db2.gz OKRNWVBMJNVKIJ-GFCCVEGCSA-N 1 0 322.399 3.142 10 0 DGAERO O=C(C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)NC1CCCCC1 ZINC000436229421 433912934 /nfs/dbraw/zinc/91/29/34/433912934.db2.gz FALUGUVINWIYGY-HKUYNNGSSA-N 1 0 314.473 3.436 10 0 DGAERO CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000436281595 433924635 /nfs/dbraw/zinc/92/46/35/433924635.db2.gz QBHMDJXPHFEFEA-ZCNNSNEGSA-N 1 0 316.489 3.269 10 0 DGAERO Cc1nc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000362960846 433927214 /nfs/dbraw/zinc/92/72/14/433927214.db2.gz BGBURJUCAINJTG-KRWDZBQOSA-N 1 0 305.466 3.379 10 0 DGAERO O=C(CC(F)(F)F)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000362957769 433927632 /nfs/dbraw/zinc/92/76/32/433927632.db2.gz KFHZHZZCNRKFTG-ZDUSSCGKSA-N 1 0 306.372 3.053 10 0 DGAERO CC[C@@H](CC(F)(F)F)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000449946948 433886286 /nfs/dbraw/zinc/88/62/86/433886286.db2.gz AVTYUABVWDVCOS-ZDUSSCGKSA-N 1 0 308.388 3.203 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2scnc2C(C)C)CC1 ZINC000449947528 433888093 /nfs/dbraw/zinc/88/80/93/433888093.db2.gz GYRUWVJAHDDVKC-UHFFFAOYSA-N 1 0 309.479 3.118 10 0 DGAERO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000457053955 433955167 /nfs/dbraw/zinc/95/51/67/433955167.db2.gz KOUSGQUEGBWNJY-DZGCQCFKSA-N 1 0 322.399 3.059 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)Cc2csc3ccccc23)CC[N@@H+]1C ZINC000357383833 433982897 /nfs/dbraw/zinc/98/28/97/433982897.db2.gz FAPAYHMZAAVGNV-TZMCWYRMSA-N 1 0 302.443 3.043 10 0 DGAERO c1ccc(OCCOCC[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000357394228 433988234 /nfs/dbraw/zinc/98/82/34/433988234.db2.gz ZQRWQOMXYZZGAW-UHFFFAOYSA-N 1 0 312.413 3.142 10 0 DGAERO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393336182 293830530 /nfs/dbraw/zinc/83/05/30/293830530.db2.gz FPLBNRXNIAGJFC-YPMHNXCESA-N 1 0 314.271 3.487 10 0 DGAERO COc1ccc(F)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000294155995 434018556 /nfs/dbraw/zinc/01/85/56/434018556.db2.gz IIFMGZWQABRAOD-OAHLLOKOSA-N 1 0 303.381 3.004 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]2[NH2+]CC1=CCOCC1 ZINC000397892351 293849743 /nfs/dbraw/zinc/84/97/43/293849743.db2.gz SRWBDUNOPPQPIK-OAHLLOKOSA-N 1 0 308.219 3.373 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400769768 293866458 /nfs/dbraw/zinc/86/64/58/293866458.db2.gz ZVOGNSYPKJOGIM-BFHYXJOUSA-N 1 0 314.495 3.117 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)CC2 ZINC000377798364 433997721 /nfs/dbraw/zinc/99/77/21/433997721.db2.gz HOADOSIIUVVINM-KXBFYZLASA-N 1 0 304.397 3.041 10 0 DGAERO COc1ccc(C[NH2+]CCOC(C)(C)C)c(Br)c1 ZINC000308694386 434092502 /nfs/dbraw/zinc/09/25/02/434092502.db2.gz OKUYUYKEXIYUQZ-UHFFFAOYSA-N 1 0 316.239 3.362 10 0 DGAERO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C3CC3)cc1)CC2 ZINC000459336284 293964127 /nfs/dbraw/zinc/96/41/27/293964127.db2.gz ALXFDWLYKWJSKR-MOPGFXCFSA-N 1 0 315.457 3.316 10 0 DGAERO CC(=O)[C@@](C)(O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000450321100 434102882 /nfs/dbraw/zinc/10/28/82/434102882.db2.gz YPRPOFHTGUSUJY-FQEVSTJZSA-N 1 0 309.409 3.269 10 0 DGAERO CC(C)C[N@H+](C[C@@H](O)COCc1ccccc1)C1CCCC1 ZINC000309854736 434103514 /nfs/dbraw/zinc/10/35/14/434103514.db2.gz ZWHXFSKYUWTIGG-LJQANCHMSA-N 1 0 305.462 3.465 10 0 DGAERO COC(=O)c1cc(C(C)(C)[NH2+]CC2CCC(F)(F)CC2)no1 ZINC000459539544 293981046 /nfs/dbraw/zinc/98/10/46/293981046.db2.gz UGJCJZFMYVZCAF-UHFFFAOYSA-N 1 0 316.348 3.111 10 0 DGAERO C[N@@H+](Cc1ccccc1Br)C[C@@H]1CCC[C@@H](O)C1 ZINC000311136994 434113278 /nfs/dbraw/zinc/11/32/78/434113278.db2.gz SFQJDJNXVMKFJL-TZMCWYRMSA-N 1 0 312.251 3.432 10 0 DGAERO OC1(C[NH2+][C@H]2CCc3sc(Br)cc32)CCCC1 ZINC000310428281 434113914 /nfs/dbraw/zinc/11/39/14/434113914.db2.gz MKYDBAFSMFTVHZ-JTQLQIEISA-N 1 0 316.264 3.393 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000313048943 434117435 /nfs/dbraw/zinc/11/74/35/434117435.db2.gz ZBTQLCHWORCDTE-KGLIPLIRSA-N 1 0 310.235 3.451 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000313063744 434118223 /nfs/dbraw/zinc/11/82/23/434118223.db2.gz KREVYWSAMSFIDH-GFCCVEGCSA-N 1 0 302.187 3.103 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000313034216 434120300 /nfs/dbraw/zinc/12/03/00/434120300.db2.gz KVELHKMOLNCCTF-KGLIPLIRSA-N 1 0 310.235 3.451 10 0 DGAERO Cn1cnc(CC[NH2+][C@H]2CCc3ccc(Br)cc32)c1 ZINC000313260690 434126674 /nfs/dbraw/zinc/12/66/74/434126674.db2.gz HRYGEFZJXFSLQS-HNNXBMFYSA-N 1 0 320.234 3.002 10 0 DGAERO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)cc1 ZINC000313310853 434126820 /nfs/dbraw/zinc/12/68/20/434126820.db2.gz XCTKBBRCTNJXEQ-NSHDSACASA-N 1 0 308.223 3.076 10 0 DGAERO C[N@H+](CCOc1ccc(F)cc1)C[C@@H]1OCCc2ccccc21 ZINC000507253869 294292285 /nfs/dbraw/zinc/29/22/85/294292285.db2.gz PBFLIKWLVKBCFY-IBGZPJMESA-N 1 0 315.388 3.450 10 0 DGAERO CC[C@@H]1C[C@]1(NC(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc(C)c1 ZINC000507298503 294293356 /nfs/dbraw/zinc/29/33/56/294293356.db2.gz UPAWLGPIJZTTLK-SZVBFZGTSA-N 1 0 315.461 3.014 10 0 DGAERO COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[C@@H]3C3CCC3)C2)c1 ZINC000510660447 294389193 /nfs/dbraw/zinc/38/91/93/294389193.db2.gz YSACQPOMWRZQEF-IPELMVKDSA-N 1 0 300.446 3.442 10 0 DGAERO C[NH+]1CCN(Cc2cccc(N[C@@H]3CC[C@@H]3C3CCC3)c2)CC1 ZINC000510684361 294389305 /nfs/dbraw/zinc/38/93/05/294389305.db2.gz PVSOZGOFAFEWRJ-WOJBJXKFSA-N 1 0 313.489 3.425 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H](CO)CC1CCCC1 ZINC000511033865 294399602 /nfs/dbraw/zinc/39/96/02/294399602.db2.gz BGIIJLNFLCIPQF-NSISKUIASA-N 1 0 316.489 3.038 10 0 DGAERO c1ccc(OC2CC2)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000450387894 434145714 /nfs/dbraw/zinc/14/57/14/434145714.db2.gz IBJAVGXERJARRG-QGZVFWFLSA-N 1 0 300.446 3.288 10 0 DGAERO CC(C)c1nnc(CN(C)CCN(C)c2ccccc2)s1 ZINC000450385301 434146849 /nfs/dbraw/zinc/14/68/49/434146849.db2.gz DAEABYACNMMYMW-UHFFFAOYSA-N 1 0 304.463 3.230 10 0 DGAERO c1ccn2c(c1)nnc2C1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450405574 434157633 /nfs/dbraw/zinc/15/76/33/434157633.db2.gz PCSTVYBJUFMGPH-UHFFFAOYSA-N 1 0 310.445 3.489 10 0 DGAERO c1cn(-c2csc(C[NH+]3CCC(c4c[nH]cn4)CC3)c2)cn1 ZINC000346192199 434188667 /nfs/dbraw/zinc/18/86/67/434188667.db2.gz DHZINTVUIKTZHM-UHFFFAOYSA-N 1 0 313.430 3.037 10 0 DGAERO c1c[nH]c([C@@H]2CCCCN2Cc2cc(-n3ccnc3)cs2)n1 ZINC000346208804 434203381 /nfs/dbraw/zinc/20/33/81/434203381.db2.gz NCULYCXYXPNSPR-HNNXBMFYSA-N 1 0 313.430 3.384 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000357852254 434215112 /nfs/dbraw/zinc/21/51/12/434215112.db2.gz OESZQHCJOGRYGF-TVRKMHQQSA-N 1 0 300.446 3.097 10 0 DGAERO O=C(c1cc(Cl)sc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000364134583 434243050 /nfs/dbraw/zinc/24/30/50/434243050.db2.gz OAOMJFKAXMCUGU-VIFPVBQESA-N 1 0 319.257 3.365 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000437321618 434246689 /nfs/dbraw/zinc/24/66/89/434246689.db2.gz BSHSUGZMRUNECY-DFBGVHRSSA-N 1 0 324.827 3.326 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3NC1CC[NH2+]CC1)CCCC2 ZINC000423182413 434268351 /nfs/dbraw/zinc/26/83/51/434268351.db2.gz KHBLCZKHPMHMPB-GOSISDBHSA-N 1 0 300.446 3.121 10 0 DGAERO C[C@@H](Nc1ncc(Br)c2ccsc21)[C@H](C)[NH3+] ZINC000381647060 434268950 /nfs/dbraw/zinc/26/89/50/434268950.db2.gz XYQBPOZXEOPOQD-NKWVEPMBSA-N 1 0 300.225 3.206 10 0 DGAERO C[C@@H]([NH2+]Cc1cscc1Br)C1CCOCC1 ZINC000286440304 434269332 /nfs/dbraw/zinc/26/93/32/434269332.db2.gz JHVPBVSVRQOBRG-SECBINFHSA-N 1 0 304.253 3.415 10 0 DGAERO CCC1CCC([N@H+](C)C[C@@H](O)COCc2ccccc2)CC1 ZINC000381634118 434272553 /nfs/dbraw/zinc/27/25/53/434272553.db2.gz TVBGXMNOUWPNEP-NKELODKYSA-N 1 0 305.462 3.465 10 0 DGAERO Cc1cccnc1CC[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000295137491 434225957 /nfs/dbraw/zinc/22/59/57/434225957.db2.gz ZIDYCHNNZCRTGH-MJGOQNOKSA-N 1 0 309.457 3.185 10 0 DGAERO [NH3+]C[C@H]1CC[C@H](Nc2ncc(Br)cc2Cl)C1 ZINC000382408139 434279719 /nfs/dbraw/zinc/27/97/19/434279719.db2.gz CEJBQRHYJWXSFR-CBAPKCEASA-N 1 0 304.619 3.037 10 0 DGAERO c1ccc(CN2CCC([NH2+]C[C@H]3CC4CCC3CC4)CC2)nc1 ZINC000516467457 294608698 /nfs/dbraw/zinc/60/86/98/294608698.db2.gz NGYOKXFYXWPSGT-DAWZGUTISA-N 1 0 313.489 3.462 10 0 DGAERO c1csc(-c2noc(CCCSCC3CC[NH2+]CC3)n2)c1 ZINC000516568340 294615480 /nfs/dbraw/zinc/61/54/80/294615480.db2.gz YDXZRSGCLSJGOU-UHFFFAOYSA-N 1 0 323.487 3.464 10 0 DGAERO CN1CCC[C@@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000383831703 434287538 /nfs/dbraw/zinc/28/75/38/434287538.db2.gz SONAEFVJXZKBON-KOLCDFICSA-N 1 0 315.280 3.182 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000383813201 434288002 /nfs/dbraw/zinc/28/80/02/434288002.db2.gz QAIMCAFWDYPKHZ-KKZNHRDASA-N 1 0 316.264 3.391 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000384247709 434291787 /nfs/dbraw/zinc/29/17/87/434291787.db2.gz KWXIOMLJBIHSQJ-GWCFXTLKSA-N 1 0 315.244 3.340 10 0 DGAERO C(=C/c1ccccc1)\CC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000450624661 434301632 /nfs/dbraw/zinc/30/16/32/434301632.db2.gz PTGYIFAGLSIYLL-XBXARRHUSA-N 1 0 307.441 3.303 10 0 DGAERO CO[C@H]([C@H](C)[NH2+]Cc1ccsc1Br)C1CC1 ZINC000388731225 434334296 /nfs/dbraw/zinc/33/42/96/434334296.db2.gz DPKFLULIKARPDN-GZMMTYOYSA-N 1 0 304.253 3.414 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000450670098 434326825 /nfs/dbraw/zinc/32/68/25/434326825.db2.gz VRCLEDNQZOQLRX-IFXJQAMLSA-N 1 0 313.397 3.470 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000450670101 434329023 /nfs/dbraw/zinc/32/90/23/434329023.db2.gz VRCLEDNQZOQLRX-KUHUBIRLSA-N 1 0 313.397 3.470 10 0 DGAERO Nc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000388311614 434331300 /nfs/dbraw/zinc/33/13/00/434331300.db2.gz GNWLNHDFHWRBEI-LBPRGKRZSA-N 1 0 303.233 3.313 10 0 DGAERO CCC[C@@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccccc1 ZINC000358182189 434368393 /nfs/dbraw/zinc/36/83/93/434368393.db2.gz CSNLEFOYSJWYBC-GOSISDBHSA-N 1 0 315.461 3.479 10 0 DGAERO c1c(C[NH2+]C2(Cc3ccccc3)CCCC2)nnn1CC1CC1 ZINC000450745966 434381711 /nfs/dbraw/zinc/38/17/11/434381711.db2.gz QFNZBADJNFNWKL-UHFFFAOYSA-N 1 0 310.445 3.333 10 0 DGAERO C[N@H+](CCNC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 ZINC000437799865 434337040 /nfs/dbraw/zinc/33/70/40/434337040.db2.gz LQYWBPCTQQUWAX-RBUKOAKNSA-N 1 0 323.440 3.089 10 0 DGAERO COC[C@H](NC[C@@H]1CCCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC000450683879 434338808 /nfs/dbraw/zinc/33/88/08/434338808.db2.gz QSXGOUZGYCYHNP-ROUUACIJSA-N 1 0 308.441 3.366 10 0 DGAERO CC(C)(O)CN(Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000450687427 434338928 /nfs/dbraw/zinc/33/89/28/434338928.db2.gz BCYXMGQRDQETIU-UHFFFAOYSA-N 1 0 317.458 3.189 10 0 DGAERO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccsc1Br ZINC000388874288 434339676 /nfs/dbraw/zinc/33/96/76/434339676.db2.gz DDOCZUIOONDTCJ-CABZTGNLSA-N 1 0 304.253 3.151 10 0 DGAERO CO[C@@H]1CN(Cc2ccsc2Br)CC[C@H]1C ZINC000388987893 434339805 /nfs/dbraw/zinc/33/98/05/434339805.db2.gz XJVGGULYUKSRJJ-MWLCHTKSSA-N 1 0 304.253 3.367 10 0 DGAERO C[C@@H](O)CCC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000450701435 434353315 /nfs/dbraw/zinc/35/33/15/434353315.db2.gz GPWMJNGZANRULQ-LLVKDONJSA-N 1 0 320.355 3.008 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000389867548 434353718 /nfs/dbraw/zinc/35/37/18/434353718.db2.gz MPVZQUKXIJGAEK-KSSFIOAISA-N 1 0 315.848 3.345 10 0 DGAERO CC(F)(F)CCC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000390229072 434355299 /nfs/dbraw/zinc/35/52/99/434355299.db2.gz FKALWDDIDKRKLH-LLVKDONJSA-N 1 0 307.768 3.105 10 0 DGAERO C[C@]1(C[NH2+]C[C@@H]2CCSC2)CCCN1Cc1ccccc1 ZINC000397873144 434444334 /nfs/dbraw/zinc/44/43/34/434444334.db2.gz IYQXKUNCLCSEHG-ZWKOTPCHSA-N 1 0 304.503 3.384 10 0 DGAERO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2nn(C)cc2Br)C1 ZINC000393350966 434392612 /nfs/dbraw/zinc/39/26/12/434392612.db2.gz SSIHERXZTSYDOJ-JQWIXIFHSA-N 1 0 312.255 3.265 10 0 DGAERO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cccc(Br)c4)[C@H]1[C@H]3C2 ZINC000394363821 434403326 /nfs/dbraw/zinc/40/33/26/434403326.db2.gz JUYYLLFHUQWTJW-YERCRUGSSA-N 1 0 322.246 3.304 10 0 DGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccnc(C)n2)C12CCCCC2 ZINC000366425962 434417149 /nfs/dbraw/zinc/41/71/49/434417149.db2.gz DLQQDKAZIGJSKU-IAGOWNOFSA-N 1 0 303.450 3.345 10 0 DGAERO Cc1nccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000366446871 434420704 /nfs/dbraw/zinc/42/07/04/434420704.db2.gz BKHROXIFMOVMTD-JXFKEZNVSA-N 1 0 324.472 3.270 10 0 DGAERO CC1=C(C)CN(C(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000366466449 434423522 /nfs/dbraw/zinc/42/35/22/434423522.db2.gz PVBKMJDTEUFWDT-AWEZNQCLSA-N 1 0 301.434 3.207 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]([NH2+]CC1=CCOCC1)C2 ZINC000397791909 434441286 /nfs/dbraw/zinc/44/12/86/434441286.db2.gz SSNJTJPDWGFPMA-MRXNPFEDSA-N 1 0 322.246 3.243 10 0 DGAERO C[C@H]1[C@H](C(F)(F)F)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000450887401 434466317 /nfs/dbraw/zinc/46/63/17/434466317.db2.gz IMGQTSSKQZTYNN-DZGCQCFKSA-N 1 0 300.368 3.391 10 0 DGAERO CC(=O)c1cccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000450961268 434505150 /nfs/dbraw/zinc/50/51/50/434505150.db2.gz OYCRDLIPJWWTGV-MRXNPFEDSA-N 1 0 311.385 3.139 10 0 DGAERO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000450908449 434479734 /nfs/dbraw/zinc/47/97/34/434479734.db2.gz RTOFGZURHKIFAH-LZQZEXGQSA-N 1 0 313.445 3.112 10 0 DGAERO Cc1scc(C[NH2+]C[C@@H](O)COCc2ccccc2)c1C ZINC000399784618 434483649 /nfs/dbraw/zinc/48/36/49/434483649.db2.gz WDWNQVMAYRXCMR-QGZVFWFLSA-N 1 0 305.443 3.032 10 0 DGAERO CSCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400497563 434485383 /nfs/dbraw/zinc/48/53/83/434485383.db2.gz BHWJBZHDGFABMS-KBPBESRZSA-N 1 0 316.511 3.365 10 0 DGAERO CCOC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400460373 434485587 /nfs/dbraw/zinc/48/55/87/434485587.db2.gz RIANHZHMBLYGCN-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400550442 434485837 /nfs/dbraw/zinc/48/58/37/434485837.db2.gz XHSRQIIKIYVRCS-MQYQWHSLSA-N 1 0 314.495 3.116 10 0 DGAERO C[C@H]([NH2+]C1CCSCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739557 434489176 /nfs/dbraw/zinc/48/91/76/434489176.db2.gz SLFPCUJEQHNGES-QWHCGFSZSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H](O)CCC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000450933845 434491627 /nfs/dbraw/zinc/49/16/27/434491627.db2.gz CRMBALJKJOXEMX-HZMBPMFUSA-N 1 0 313.239 3.046 10 0 DGAERO CCc1cnc(NC(=O)N2CCC(C[NH+](CC)CC)CC2)s1 ZINC000438526479 434500058 /nfs/dbraw/zinc/50/00/58/434500058.db2.gz DOKCAVDJHBWBKS-UHFFFAOYSA-N 1 0 324.494 3.291 10 0 DGAERO Fc1cc(C[NH2+]CCC[C@H]2CCOC2)ccc1Br ZINC000402340041 434500671 /nfs/dbraw/zinc/50/06/71/434500671.db2.gz VZEVCHZPFLIOKD-NSHDSACASA-N 1 0 316.214 3.495 10 0 DGAERO COC[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)C(C)C ZINC000397972187 434450756 /nfs/dbraw/zinc/45/07/56/434450756.db2.gz BVZHTTGDEGJTAA-OALUTQOASA-N 1 0 304.478 3.302 10 0 DGAERO C[C@@]1(C[NH2+]C[C@@H]2CCCOC2)CCCN1Cc1ccccc1 ZINC000398016089 434450904 /nfs/dbraw/zinc/45/09/04/434450904.db2.gz QINFTNYRDVVOKH-OALUTQOASA-N 1 0 302.462 3.057 10 0 DGAERO O[C@@]1(CC[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)CCOC1 ZINC000404192255 434508362 /nfs/dbraw/zinc/50/83/62/434508362.db2.gz KAFAQPOZMIVARA-ZDUSSCGKSA-N 1 0 324.635 3.278 10 0 DGAERO c1c([C@@H]2CCC[NH2+]C2)nnn1C1c2ccccc2-c2ccccc21 ZINC000404822301 434522525 /nfs/dbraw/zinc/52/25/25/434522525.db2.gz DWKFLNPVOIAXFI-CQSZACIVSA-N 1 0 316.408 3.363 10 0 DGAERO COc1cccc(C2=CC[N@H+](C[C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000366849391 434523465 /nfs/dbraw/zinc/52/34/65/434523465.db2.gz QSBZALAXTCBFOP-OAHLLOKOSA-N 1 0 315.335 3.098 10 0 DGAERO CSCCN1C[C@@H](C)[N@H+](CCSC)CC12CCCC2 ZINC000451341509 434566265 /nfs/dbraw/zinc/56/62/65/434566265.db2.gz LVPPQAVKHKPQEW-CQSZACIVSA-N 1 0 302.553 3.031 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1F ZINC000245872525 295025114 /nfs/dbraw/zinc/02/51/14/295025114.db2.gz LQYNSMHJXIQMOD-OUENDJJVSA-N 1 0 305.393 3.443 10 0 DGAERO Cc1ccncc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000527522020 295100861 /nfs/dbraw/zinc/10/08/61/295100861.db2.gz AGVKFLFFDLPQFN-KRWDZBQOSA-N 1 0 303.837 3.436 10 0 DGAERO Fc1c(Br)ccc(C[NH2+]CC[C@@H]2CCCO2)c1F ZINC000527635904 295107552 /nfs/dbraw/zinc/10/75/52/295107552.db2.gz OYZXNJDINUJODI-JTQLQIEISA-N 1 0 320.177 3.386 10 0 DGAERO c1sc(-c2ccccn2)nc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527736729 295122894 /nfs/dbraw/zinc/12/28/94/295122894.db2.gz FYHDURPFLGKIEA-CYBMUJFWSA-N 1 0 303.431 3.111 10 0 DGAERO Brc1ccsc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527740818 295124004 /nfs/dbraw/zinc/12/40/04/295124004.db2.gz WEZMLBQQTILLSD-SNVBAGLBSA-N 1 0 304.253 3.417 10 0 DGAERO c1c(C[NH2+][C@H](c2ccccn2)C2CCC2)[nH]nc1-c1cccnc1 ZINC000527772342 295128078 /nfs/dbraw/zinc/12/80/78/295128078.db2.gz LZLPJMYYENTUDZ-IBGZPJMESA-N 1 0 319.412 3.498 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000527800725 295132556 /nfs/dbraw/zinc/13/25/56/295132556.db2.gz DUAOFOXVMGBOEZ-APOZVJGGSA-N 1 0 304.253 3.412 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1sccc1Br ZINC000527807414 295133842 /nfs/dbraw/zinc/13/38/42/295133842.db2.gz ZRYLWMCBRWVTQK-JXVAYASWSA-N 1 0 304.253 3.412 10 0 DGAERO c1nc([C@@H](NC[C@H]2CC[N@@H+]2C2CCCC2)C2CCCCC2)n[nH]1 ZINC000527999147 295163338 /nfs/dbraw/zinc/16/33/38/295163338.db2.gz FNROHDHLAWJJNN-SJORKVTESA-N 1 0 317.481 3.033 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2CCN2C2CCCC2)C1 ZINC000528004249 295164850 /nfs/dbraw/zinc/16/48/50/295164850.db2.gz WHLAMUBYSXMRLR-GOEBONIOSA-N 1 0 309.457 3.242 10 0 DGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)cc1 ZINC000360328029 434577096 /nfs/dbraw/zinc/57/70/96/434577096.db2.gz CXPRADUKHBZVFT-BCXHYRKLSA-N 1 0 319.445 3.043 10 0 DGAERO Brc1cncc(NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528209846 295187109 /nfs/dbraw/zinc/18/71/09/295187109.db2.gz NPGXZNRCVVRVAJ-CQSZACIVSA-N 1 0 310.239 3.273 10 0 DGAERO C[C@@H]([N@H+](C)Cc1ccc(Br)c(F)c1F)C(C)(C)O ZINC000528515093 295222067 /nfs/dbraw/zinc/22/20/67/295222067.db2.gz ANWSYBBFMZITES-MRVPVSSYSA-N 1 0 322.193 3.319 10 0 DGAERO C(c1nc(C2CCCC2)no1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000528579869 295228020 /nfs/dbraw/zinc/22/80/20/295228020.db2.gz WGDLTTNGCNPDSC-HNNXBMFYSA-N 1 0 319.449 3.018 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1(c2ccccc2)CCCCC1 ZINC000261855243 295272029 /nfs/dbraw/zinc/27/20/29/295272029.db2.gz WIAOVWUTOAJODF-NVXWUHKLSA-N 1 0 300.446 3.337 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000354044776 434594295 /nfs/dbraw/zinc/59/42/95/434594295.db2.gz MSDGDHKVIPZQEK-UHFFFAOYSA-N 1 0 301.430 3.478 10 0 DGAERO CCn1nncc1C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000459530936 434595598 /nfs/dbraw/zinc/59/55/98/434595598.db2.gz MOCUJLQDGVXMPR-CQSZACIVSA-N 1 0 323.400 3.336 10 0 DGAERO COCCC1(C)C[NH+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000459637487 434642176 /nfs/dbraw/zinc/64/21/76/434642176.db2.gz SIIIJVVAMMURKQ-UHFFFAOYSA-N 1 0 317.408 3.085 10 0 DGAERO O[C@@H]1[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)CCC12CCOCC2 ZINC000459537357 434599880 /nfs/dbraw/zinc/59/98/80/434599880.db2.gz HXJKOAZHBOGMNI-RBUKOAKNSA-N 1 0 315.457 3.221 10 0 DGAERO O[C@H](CC[NH2+]Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000349302570 434664564 /nfs/dbraw/zinc/66/45/64/434664564.db2.gz XQOZQKGQEOYSFV-SECBINFHSA-N 1 0 302.123 3.396 10 0 DGAERO c1csc([C@@H](Cc2ccncc2)[NH2+]CC[C@H]2CCOC2)c1 ZINC000424282555 434675485 /nfs/dbraw/zinc/67/54/85/434675485.db2.gz QJTZLVSUYMCOPG-JKSUJKDBSA-N 1 0 302.443 3.443 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(CC(C)C)C2CCCC2)CC1 ZINC000460223454 434747949 /nfs/dbraw/zinc/74/79/49/434747949.db2.gz AMEDEOJZTHGQKI-UHFFFAOYSA-N 1 0 307.482 3.249 10 0 DGAERO C[NH+](C)CC1(C(=O)N[C@@H]2CCc3ccccc32)CCCCC1 ZINC000460287563 434752733 /nfs/dbraw/zinc/75/27/33/434752733.db2.gz ZJIAYLYYDYXAOT-QGZVFWFLSA-N 1 0 300.446 3.302 10 0 DGAERO c1cn2c(cccc2C[NH2+]CCc2ccc3ccccc3n2)n1 ZINC000354280692 434702508 /nfs/dbraw/zinc/70/25/08/434702508.db2.gz GXVFCTLEHVECEQ-UHFFFAOYSA-N 1 0 302.381 3.215 10 0 DGAERO O=C(C1CC(F)(F)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000440548875 434711960 /nfs/dbraw/zinc/71/19/60/434711960.db2.gz UIYMTOCQTMWBEM-AWEZNQCLSA-N 1 0 314.420 3.146 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Cc1ccccc1C(F)(F)F ZINC000459794007 434722297 /nfs/dbraw/zinc/72/22/97/434722297.db2.gz VYXSHZDDTPVFRD-OEYIWLLWSA-N 1 0 313.363 3.387 10 0 DGAERO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC2(C1)CCCCC2 ZINC000455562961 295620674 /nfs/dbraw/zinc/62/06/74/295620674.db2.gz OPQLSMBGLPVCHJ-UHFFFAOYSA-N 1 0 319.493 3.369 10 0 DGAERO c1c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)[nH]nc1-c1ccccc1 ZINC000354378968 434742510 /nfs/dbraw/zinc/74/25/10/434742510.db2.gz DAYSEJRDWFLVJI-LJQANCHMSA-N 1 0 323.440 3.468 10 0 DGAERO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000460366950 434755844 /nfs/dbraw/zinc/75/58/44/434755844.db2.gz UFPMACMMBGWGSN-BDAKNGLRSA-N 1 0 320.252 3.188 10 0 DGAERO Cc1cccc(Nc2nnc(SC[C@@H](C)[NH+](C)C)s2)c1C ZINC000460446981 434757651 /nfs/dbraw/zinc/75/76/51/434757651.db2.gz KUFMIMLFNFIQRX-LLVKDONJSA-N 1 0 322.503 3.941 10 0 DGAERO C[N@H+](CCCO)Cc1cccc2c(Br)cccc12 ZINC000440956522 434757726 /nfs/dbraw/zinc/75/77/26/434757726.db2.gz YMSRUTQOTQVSFJ-UHFFFAOYSA-N 1 0 308.219 3.417 10 0 DGAERO Cc1ccnc(C2CC[NH+](CCCCCn3cccn3)CC2)n1 ZINC000371824964 434757901 /nfs/dbraw/zinc/75/79/01/434757901.db2.gz YVQAEZSVIQQPHK-UHFFFAOYSA-N 1 0 313.449 3.031 10 0 DGAERO CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1cccc(C)c1 ZINC000460446394 434758707 /nfs/dbraw/zinc/75/87/07/434758707.db2.gz HMMJOWCURHHFQM-CYBMUJFWSA-N 1 0 304.463 3.316 10 0 DGAERO c1ncc(CC[NH+]2CC(c3nc4ccccc4s3)C2)s1 ZINC000411428273 434779590 /nfs/dbraw/zinc/77/95/90/434779590.db2.gz SAWOFTAMFTZIHG-UHFFFAOYSA-N 1 0 301.440 3.395 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](c2ccccc2)C2CC2)CC[N@@H+]1C ZINC000245756180 297258305 /nfs/dbraw/zinc/25/83/05/297258305.db2.gz OYQYQUNNNRPOQX-FHLIZLRMSA-N 1 0 300.446 3.121 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453104483 434802824 /nfs/dbraw/zinc/80/28/24/434802824.db2.gz UENOBBSDHPLOOV-YSTOQKLRSA-N 1 0 314.473 3.198 10 0 DGAERO COC1([C@@H](C)[NH2+]CCCCN(C)c2ccccc2)CCOCC1 ZINC000453074843 434793740 /nfs/dbraw/zinc/79/37/40/434793740.db2.gz VPEJSTCXFNEJAZ-QGZVFWFLSA-N 1 0 320.477 3.077 10 0 DGAERO COC1([C@H](C)[NH2+]CCc2cc3ccccc3o2)CCOCC1 ZINC000453132745 434811996 /nfs/dbraw/zinc/81/19/96/434811996.db2.gz AMBPZYHLTMBSMZ-AWEZNQCLSA-N 1 0 303.402 3.149 10 0 DGAERO C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000372206520 434812316 /nfs/dbraw/zinc/81/23/16/434812316.db2.gz QDHUWYRXUWFASB-OFHUKCQUSA-N 1 0 302.393 3.043 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)c2ccccc2C1 ZINC000372408335 434822173 /nfs/dbraw/zinc/82/21/73/434822173.db2.gz IFIUVNRINHXGCE-WMZOPIPTSA-N 1 0 316.445 3.027 10 0 DGAERO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC000361209684 434829837 /nfs/dbraw/zinc/82/98/37/434829837.db2.gz UOWZKXZDVCEEEQ-ABAIWWIYSA-N 1 0 317.260 3.365 10 0 DGAERO Cn1ccc([C@H]([NH2+]CCC(C)(C)CO)c2ccc(Cl)cc2)n1 ZINC000453270066 434845711 /nfs/dbraw/zinc/84/57/11/434845711.db2.gz DSZLDFIGWJRECR-MRXNPFEDSA-N 1 0 321.852 3.161 10 0 DGAERO CCN(CC[NH+]1CCCCCC1)C(=O)N1CCc2ccccc21 ZINC000553550556 434895126 /nfs/dbraw/zinc/89/51/26/434895126.db2.gz OCSCONCMBJAZHQ-UHFFFAOYSA-N 1 0 315.461 3.367 10 0 DGAERO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000491852328 434870423 /nfs/dbraw/zinc/87/04/23/434870423.db2.gz ODLCSXQEFQUJGA-IPELMVKDSA-N 1 0 324.424 3.158 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000524018250 434969002 /nfs/dbraw/zinc/96/90/02/434969002.db2.gz MFJHQUMZNFWKMD-INIZCTEOSA-N 1 0 306.425 3.094 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000522344469 434922568 /nfs/dbraw/zinc/92/25/68/434922568.db2.gz BHRRUXBXCOQXKE-MSOLQXFVSA-N 1 0 315.461 3.233 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2OC(C)(C)C)C1 ZINC000522460535 434925278 /nfs/dbraw/zinc/92/52/78/434925278.db2.gz JVAKTMGHNZKYJN-CQSZACIVSA-N 1 0 319.449 3.327 10 0 DGAERO CC[NH+](CC)C[C@H](C)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462794788 434929187 /nfs/dbraw/zinc/92/91/87/434929187.db2.gz XIXXQIZYDMSJCU-HNNXBMFYSA-N 1 0 320.477 3.462 10 0 DGAERO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462799509 434929351 /nfs/dbraw/zinc/92/93/51/434929351.db2.gz ULYVXCPYHOUZIN-ZIAGYGMSSA-N 1 0 307.434 3.139 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000462811500 434930636 /nfs/dbraw/zinc/93/06/36/434930636.db2.gz XAYKHNBFTQXWSD-IAGOWNOFSA-N 1 0 307.434 3.386 10 0 DGAERO CC[NH+]1CCC(CCNc2ccnc(-c3ccccc3)n2)CC1 ZINC000462892396 434934826 /nfs/dbraw/zinc/93/48/26/434934826.db2.gz BTOSNVJGPDGSIR-UHFFFAOYSA-N 1 0 310.445 3.099 10 0 DGAERO C[C@@H](CNC(=O)N1CCC2(C1)CCCCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000465531756 435032079 /nfs/dbraw/zinc/03/20/79/435032079.db2.gz BRODGAGEPFOFBD-IRXDYDNUSA-N 1 0 321.509 3.473 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc2c1OCC2 ZINC000464072388 434977469 /nfs/dbraw/zinc/97/74/69/434977469.db2.gz RLCOTSXTCFZCIY-BHIYHBOVSA-N 1 0 315.457 3.349 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC(C)C)c2ccccc2)C1 ZINC000524854469 434993464 /nfs/dbraw/zinc/99/34/64/434993464.db2.gz HZVCVLSKAJPHEO-SJLPKXTDSA-N 1 0 302.462 3.274 10 0 DGAERO C(=C\c1ccccc1)\CC[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000556226633 434999865 /nfs/dbraw/zinc/99/98/65/434999865.db2.gz CIEXKFXVUMBKPQ-YWEYNIOJSA-N 1 0 301.430 3.361 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000556518627 435010832 /nfs/dbraw/zinc/01/08/32/435010832.db2.gz IWUAKUDPCYSMPN-MOPGFXCFSA-N 1 0 300.446 3.083 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000466091069 435061084 /nfs/dbraw/zinc/06/10/84/435061084.db2.gz DLRDMIRGRQMEDC-FGTMMUONSA-N 1 0 321.509 3.376 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCCCC2(C)C)CC1 ZINC000466526246 435081532 /nfs/dbraw/zinc/08/15/32/435081532.db2.gz CJFVQHJUDBELDJ-MRXNPFEDSA-N 1 0 309.498 3.376 10 0 DGAERO C[C@@H](CNC(=O)N1CCC2(C1)CCCCC2)[NH+]1CCC(C)CC1 ZINC000465811601 435045895 /nfs/dbraw/zinc/04/58/95/435045895.db2.gz KBFCTWCBWNVRFY-KRWDZBQOSA-N 1 0 321.509 3.473 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000465844677 435046883 /nfs/dbraw/zinc/04/68/83/435046883.db2.gz SSTHHFRNYAKXMQ-PMPSAXMXSA-N 1 0 321.465 3.493 10 0 DGAERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000531614647 435104286 /nfs/dbraw/zinc/10/42/86/435104286.db2.gz WXVXNRFRXJKYOM-OAHLLOKOSA-N 1 0 304.434 3.068 10 0 DGAERO Cc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000531715159 435112527 /nfs/dbraw/zinc/11/25/27/435112527.db2.gz REUYNYAZDRAAAQ-DYESRHJHSA-N 1 0 323.484 3.433 10 0 DGAERO C[C@@]1(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1(Cl)Cl ZINC000107527951 297858547 /nfs/dbraw/zinc/85/85/47/297858547.db2.gz ONYZBCKOYZMBCH-JSGCOSHPSA-N 1 0 319.276 3.047 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470941502 435135769 /nfs/dbraw/zinc/13/57/69/435135769.db2.gz WMOQJWAAVZBALD-XJFOESAGSA-N 1 0 320.399 3.439 10 0 DGAERO CC(C)COCCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000561476927 435220180 /nfs/dbraw/zinc/22/01/80/435220180.db2.gz KXGSGULGXFEUTM-SFHVURJKSA-N 1 0 324.509 3.210 10 0 DGAERO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCc2ccccc2C1 ZINC000533417978 435234373 /nfs/dbraw/zinc/23/43/73/435234373.db2.gz DNCDXGLUIZMPMK-GOSISDBHSA-N 1 0 309.409 3.447 10 0 DGAERO C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000174225290 298146025 /nfs/dbraw/zinc/14/60/25/298146025.db2.gz NTZPGALYERMCPF-OAGGEKHMSA-N 1 0 317.477 3.058 10 0 DGAERO COc1ccc(-c2nc(C[N@H+](CC3CC3)C(C)C)no2)cc1 ZINC000533488446 435240539 /nfs/dbraw/zinc/24/05/39/435240539.db2.gz KMBIRHCNNFRNDN-UHFFFAOYSA-N 1 0 301.390 3.366 10 0 DGAERO CC(C)n1nccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000583619501 435244657 /nfs/dbraw/zinc/24/46/57/435244657.db2.gz TVROORONARXZFH-KURKYZTESA-N 1 0 305.466 3.370 10 0 DGAERO C[C@H](CC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)[C@H]1CCC[NH2+]C1 ZINC000262620494 298285693 /nfs/dbraw/zinc/28/56/93/298285693.db2.gz OUSXQPVTJQGRDP-FYWHAIQOSA-N 1 0 304.478 3.049 10 0 DGAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000535085147 435316986 /nfs/dbraw/zinc/31/69/86/435316986.db2.gz GTXCMIGKEOTOGB-SFYZZRBRSA-N 1 0 312.461 3.087 10 0 DGAERO C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C1CC1 ZINC000479612174 435342694 /nfs/dbraw/zinc/34/26/94/435342694.db2.gz IBCSYRLMRTVDHQ-OAHLLOKOSA-N 1 0 315.461 3.091 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000568177283 435401184 /nfs/dbraw/zinc/40/11/84/435401184.db2.gz RAKWUGUNKLDUOS-UHFFFAOYSA-N 1 0 324.424 3.266 10 0 DGAERO C[C@@](O)(C[NH2+]Cc1cnc2ccc(Cl)cn12)C1CCCCC1 ZINC000480480936 435378891 /nfs/dbraw/zinc/37/88/91/435378891.db2.gz WWGDTXRNKPVKAN-QGZVFWFLSA-N 1 0 321.852 3.409 10 0 DGAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480766551 435393535 /nfs/dbraw/zinc/39/35/35/435393535.db2.gz RNKJCWPICIQANC-ZWKOTPCHSA-N 1 0 317.477 3.223 10 0 DGAERO C[C@H](CNC(=O)N1CCC2(C1)CCCCC2)C[NH+]1CCCCC1 ZINC000465685531 298700103 /nfs/dbraw/zinc/70/01/03/298700103.db2.gz IIJCKUBEYAJPBW-QGZVFWFLSA-N 1 0 321.509 3.474 10 0 DGAERO C[C@H](c1cccnc1)[N@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000568350219 435425951 /nfs/dbraw/zinc/42/59/51/435425951.db2.gz UGJMUPKALWKMJM-CQSZACIVSA-N 1 0 307.397 3.127 10 0 DGAERO c1nn2ccccc2c1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000537296457 435437750 /nfs/dbraw/zinc/43/77/50/435437750.db2.gz BNWUFBBEJLYWMW-UHFFFAOYSA-N 1 0 307.397 3.130 10 0 DGAERO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000538730460 435517225 /nfs/dbraw/zinc/51/72/25/435517225.db2.gz NBUCLFXDVFCCEG-FCUDFIOSSA-N 1 0 312.457 3.424 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000483658591 435526819 /nfs/dbraw/zinc/52/68/19/435526819.db2.gz JNABXRJVMAEGIG-OAHLLOKOSA-N 1 0 311.425 3.433 10 0 DGAERO C[C@@H](CCc1ccccc1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000483190846 435501369 /nfs/dbraw/zinc/50/13/69/435501369.db2.gz DZWVYXSMEUAZNL-LPHOPBHVSA-N 1 0 303.446 3.278 10 0 DGAERO COc1ccc([C@H](CN(C)C)[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000517104410 435574837 /nfs/dbraw/zinc/57/48/37/435574837.db2.gz JYMAIXHXIZLQEM-QYZOEREBSA-N 1 0 302.462 3.466 10 0 DGAERO COc1ccc([C@H](CN(C)C)[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000517104408 435575621 /nfs/dbraw/zinc/57/56/21/435575621.db2.gz JYMAIXHXIZLQEM-QRVBRYPASA-N 1 0 302.462 3.466 10 0 DGAERO CCOC1CC(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)C1 ZINC000569513398 435538055 /nfs/dbraw/zinc/53/80/55/435538055.db2.gz XJPXZFGYVDUIJC-QQFBHYJXSA-N 1 0 311.466 3.245 10 0 DGAERO c1cnn(-c2cccc(C[N@@H+]3CC[C@H](c4ccncc4)C3)c2)c1 ZINC000570460768 435622120 /nfs/dbraw/zinc/62/21/20/435622120.db2.gz DFFSDJBTZGNOOI-SFHVURJKSA-N 1 0 304.397 3.257 10 0 DGAERO Cn1cncc1[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)CCO1 ZINC000548348925 435684422 /nfs/dbraw/zinc/68/44/22/435684422.db2.gz HQFKMVYRBSYRHS-OMNOIGINSA-N 1 0 315.392 3.082 10 0 DGAERO Cc1csc([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)n1 ZINC000548388702 435687915 /nfs/dbraw/zinc/68/79/15/435687915.db2.gz CEVPNSCMEHKXER-CYBMUJFWSA-N 1 0 309.479 3.283 10 0 DGAERO CC(C)(C)[C@@H](O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000550714559 435809581 /nfs/dbraw/zinc/80/95/81/435809581.db2.gz YYCJKNAWVZQCFL-KRWDZBQOSA-N 1 0 324.896 3.255 10 0 DGAERO Clc1cc(Br)ccc1CNCCC[NH+]1CCC1 ZINC000572134734 435785305 /nfs/dbraw/zinc/78/53/05/435785305.db2.gz IJOCTIVXXZQFKN-UHFFFAOYSA-N 1 0 317.658 3.288 10 0 DGAERO C[C@@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000551525677 435840493 /nfs/dbraw/zinc/84/04/93/435840493.db2.gz KWKADIQZTUHOHL-FXAWDEMLSA-N 1 0 318.505 3.428 10 0 DGAERO c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]CCOCC1CCC1 ZINC000572422461 435826108 /nfs/dbraw/zinc/82/61/08/435826108.db2.gz VSRXCZGEJAOKLN-IBGZPJMESA-N 1 0 319.445 3.151 10 0 DGAERO Brc1cnccc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656609562 435983039 /nfs/dbraw/zinc/98/30/39/435983039.db2.gz QGCGPLLZVKZRIY-ZDUSSCGKSA-N 1 0 324.266 3.060 10 0 DGAERO Brc1cncc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656609194 435983961 /nfs/dbraw/zinc/98/39/61/435983961.db2.gz QTQJIBUDEUUZLW-CYBMUJFWSA-N 1 0 324.266 3.060 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1Cl ZINC000658246123 436409726 /nfs/dbraw/zinc/40/97/26/436409726.db2.gz XTFOMJYHITYFMW-ZJUUUORDSA-N 1 0 301.217 3.122 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000659359488 436499943 /nfs/dbraw/zinc/49/99/43/436499943.db2.gz RXYREQQTXQIANQ-WDEREUQCSA-N 1 0 301.217 3.127 10 0 DGAERO Cc1ccc2nc(N3CC[NH2+]CC3)nc(-c3ccccc3)c2c1 ZINC000004747635 301926639 /nfs/dbraw/zinc/92/66/39/301926639.db2.gz YUZGSZSBISQYLV-UHFFFAOYSA-N 1 0 304.397 3.015 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000182168338 302176837 /nfs/dbraw/zinc/17/68/37/302176837.db2.gz ZDCUMAPJZNEMPU-BQFCYCMXSA-N 1 0 315.461 3.182 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]CCCN1CCOCC1)c1ccccc1 ZINC000193307868 302197910 /nfs/dbraw/zinc/19/79/10/302197910.db2.gz NDRGASYVXOABNC-OAQYLSRUSA-N 1 0 324.468 3.396 10 0 DGAERO [NH3+]Cc1ccc(NC(=O)[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000131678188 303432469 /nfs/dbraw/zinc/43/24/69/303432469.db2.gz RJPADRGRMVIDIB-ROUUACIJSA-N 1 0 310.397 3.252 10 0 DGAERO Cc1ccccc1C[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171611506 312725466 /nfs/dbraw/zinc/72/54/66/312725466.db2.gz DRZQUSXEWPFECW-YLJYHZDGSA-N 1 0 324.468 3.215 10 0 DGAERO CCOc1ccccc1[C@H](CC)[NH2+]C[C@H](O)COC(C)(C)C ZINC000179753079 312816058 /nfs/dbraw/zinc/81/60/58/312816058.db2.gz UBBUWIFKRHHWLS-HOCLYGCPSA-N 1 0 309.450 3.302 10 0 DGAERO Brc1sccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000529531756 313218716 /nfs/dbraw/zinc/21/87/16/313218716.db2.gz QFSQDDCZPUZQKQ-ZYHUDNBSSA-N 1 0 316.264 3.369 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3N[C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218280 313341588 /nfs/dbraw/zinc/34/15/88/313341588.db2.gz INKKFMDKJQQLLJ-MJGOQNOKSA-N 1 0 312.457 3.263 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000530365775 313361867 /nfs/dbraw/zinc/36/18/67/313361867.db2.gz PVVWPZLNUQTEJU-YPMHNXCESA-N 1 0 312.816 3.388 10 0 DGAERO FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCc1cnccn1)CCC2 ZINC000530465302 313373626 /nfs/dbraw/zinc/37/36/26/313373626.db2.gz NAFRVQYHDMCLDA-CQSZACIVSA-N 1 0 322.334 3.100 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc2c1OCO2 ZINC000530492219 313375427 /nfs/dbraw/zinc/37/54/27/313375427.db2.gz ZMVQGCHCZZADAJ-YESZJQIVSA-N 1 0 317.429 3.143 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)NCCCC1CC1)c1ccc(Cl)cc1 ZINC000530602240 313388205 /nfs/dbraw/zinc/38/82/05/313388205.db2.gz HOIXVGWXXNPQQZ-INIZCTEOSA-N 1 0 323.868 3.432 10 0 DGAERO C[C@H]([NH2+]CCc1ccccc1O)c1ccc2c(c1)CCC(=O)N2 ZINC000532217132 313528157 /nfs/dbraw/zinc/52/81/57/313528157.db2.gz MRMUQEMFDSWDQC-ZDUSSCGKSA-N 1 0 310.397 3.170 10 0 DGAERO OCCC1([NH2+]Cc2cc3c(c(Cl)c2)OCO3)CCCCC1 ZINC000533068556 313595846 /nfs/dbraw/zinc/59/58/46/313595846.db2.gz PMIBAKVMAGBNPR-UHFFFAOYSA-N 1 0 311.809 3.244 10 0 DGAERO OCCC1([NH2+]Cc2cnc([C@H]3CCCO3)s2)CCCCC1 ZINC000534468216 313670828 /nfs/dbraw/zinc/67/08/28/313670828.db2.gz WKRMSDVFNHEPBN-CQSZACIVSA-N 1 0 310.463 3.170 10 0 DGAERO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000537916967 313839200 /nfs/dbraw/zinc/83/92/00/313839200.db2.gz DPRJNAGTPRGNQZ-GUTXKFCHSA-N 1 0 308.853 3.323 10 0 DGAERO CCC[C@H](CCO)C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000539393529 313910421 /nfs/dbraw/zinc/91/04/21/313910421.db2.gz XEBZXQUPLNCCMD-KDOFPFPSSA-N 1 0 319.424 3.037 10 0 DGAERO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)C[C@H]1CC=CCC1 ZINC000541326755 314008758 /nfs/dbraw/zinc/00/87/58/314008758.db2.gz VQOPIDJCABMFDM-AWEZNQCLSA-N 1 0 306.837 3.244 10 0 DGAERO C[C@@H](CNC(=O)N(C)C[C@@H]1CC=CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000541339068 314009903 /nfs/dbraw/zinc/00/99/03/314009903.db2.gz XGJVQPKQGHDSRT-IXDOHACOSA-N 1 0 307.482 3.105 10 0 DGAERO C[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)C[C@H]1CC=CCC1 ZINC000541554543 314022368 /nfs/dbraw/zinc/02/23/68/314022368.db2.gz JXOHGDGWHHRVGZ-AWEZNQCLSA-N 1 0 300.381 3.195 10 0 DGAERO CC(C)Oc1cc(F)ccc1NC(=O)N(C)CCC[NH+](C)C ZINC000541757110 314037031 /nfs/dbraw/zinc/03/70/31/314037031.db2.gz KFABEVZEBJEAJZ-UHFFFAOYSA-N 1 0 311.401 3.028 10 0 DGAERO O=C(NC1(c2ccccc2)CCCC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000541840771 314041048 /nfs/dbraw/zinc/04/10/48/314041048.db2.gz NYHMRRRRSOSWPU-GOSISDBHSA-N 1 0 312.457 3.447 10 0 DGAERO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000542244348 314064139 /nfs/dbraw/zinc/06/41/39/314064139.db2.gz XGAKXQLPLHDDDY-DOTOQJQBSA-N 1 0 318.436 3.161 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000542255516 314065426 /nfs/dbraw/zinc/06/54/26/314065426.db2.gz ZZPYJPIJVIETMS-QZTJIDSGSA-N 1 0 314.473 3.330 10 0 DGAERO C[C@@H](CNC(=O)N(C)C[C@@H]1CC=CCC1)C[NH+]1CCCCC1 ZINC000542271438 314066570 /nfs/dbraw/zinc/06/65/70/314066570.db2.gz DTMLIJJUANUEFU-DLBZAZTESA-N 1 0 307.482 3.106 10 0 DGAERO C[C@@H](NC(=O)NCCCC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542829876 314101571 /nfs/dbraw/zinc/10/15/71/314101571.db2.gz DLIAVHIKLPDAQY-ZBFHGGJFSA-N 1 0 307.482 3.129 10 0 DGAERO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000542916072 314106159 /nfs/dbraw/zinc/10/61/59/314106159.db2.gz VPNRPIOOFDOUNB-XJKSGUPXSA-N 1 0 305.443 3.052 10 0 DGAERO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)C[C@H]1CC=CCC1 ZINC000543180087 314118445 /nfs/dbraw/zinc/11/84/45/314118445.db2.gz HAFOJWJYANTRPQ-AWEZNQCLSA-N 1 0 316.401 3.032 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000543199316 314120276 /nfs/dbraw/zinc/12/02/76/314120276.db2.gz YQVVRDUJKBDWPM-KSZLIROESA-N 1 0 321.509 3.352 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000543629625 314146230 /nfs/dbraw/zinc/14/62/30/314146230.db2.gz INEJFIYDRFDXAO-UHFFFAOYSA-N 1 0 312.417 3.164 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000544254245 314182519 /nfs/dbraw/zinc/18/25/19/314182519.db2.gz OZZDKOJRDFGIMT-WMZOPIPTSA-N 1 0 315.461 3.287 10 0 DGAERO Cc1cc(OC(C)C)ccc1NC(=O)N(C)CCC[NH+](C)C ZINC000544537025 314196878 /nfs/dbraw/zinc/19/68/78/314196878.db2.gz ZYPREWROEDZYCW-UHFFFAOYSA-N 1 0 307.438 3.198 10 0 DGAERO CSCc1cccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000545162446 314229482 /nfs/dbraw/zinc/22/94/82/314229482.db2.gz LYQASHMSTNVLQE-UHFFFAOYSA-N 1 0 319.474 3.323 10 0 DGAERO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C/C=C\c1ccccc1 ZINC000546179531 314294449 /nfs/dbraw/zinc/29/44/49/314294449.db2.gz VBHLATUGVXJNOU-DANOYGIBSA-N 1 0 314.816 3.039 10 0 DGAERO CCC[C@@H](C[NH+]1CCN(c2ccnc(C)n2)CC1)c1ccccc1 ZINC000546961741 314338144 /nfs/dbraw/zinc/33/81/44/314338144.db2.gz FQVVFLHOVPDCGK-IBGZPJMESA-N 1 0 324.472 3.491 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000547271885 314352211 /nfs/dbraw/zinc/35/22/11/314352211.db2.gz RLDSMJBKXYXLEI-AEFFLSMTSA-N 1 0 313.445 3.041 10 0 DGAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCCc2ccncc2)C1 ZINC000547317682 314355605 /nfs/dbraw/zinc/35/56/05/314355605.db2.gz XGHSPQFCYXXYHS-KRWDZBQOSA-N 1 0 318.461 3.458 10 0 DGAERO c1ccc2c(c1)CC[C@H](C[N@@H+]1CCOC3(CCOCC3)CC1)C2 ZINC000547388471 314363572 /nfs/dbraw/zinc/36/35/72/314363572.db2.gz PICBWIBCVRLHFZ-KRWDZBQOSA-N 1 0 315.457 3.063 10 0 DGAERO Cc1nc(-c2cccc(C(=O)N(C)CCC[NH+](C)C)c2)cs1 ZINC000553549452 314648056 /nfs/dbraw/zinc/64/80/56/314648056.db2.gz VUYYTTWHSBRBDE-UHFFFAOYSA-N 1 0 317.458 3.142 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CCCc1nc2ccccc2s1 ZINC000561310212 314963792 /nfs/dbraw/zinc/96/37/92/314963792.db2.gz ASXANLVXNHBVMM-UHFFFAOYSA-N 1 0 319.474 3.029 10 0 DGAERO CC(C)(C)[N@@H+]1CCCN(c2ncnc3c(F)cccc32)CC1 ZINC000562421380 315018708 /nfs/dbraw/zinc/01/87/08/315018708.db2.gz BVYLRIKTLNYKFO-UHFFFAOYSA-N 1 0 302.397 3.080 10 0 DGAERO c1ccc(OCCCCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562836894 315056347 /nfs/dbraw/zinc/05/63/47/315056347.db2.gz BODIDVWJEKDGIF-RBUKOAKNSA-N 1 0 302.462 3.452 10 0 DGAERO CCCCO[C@H]1C[C@H]([NH2+]CC(=O)NC2CCCCC2)C1(C)C ZINC000563720524 315134286 /nfs/dbraw/zinc/13/42/86/315134286.db2.gz BNQQUQHNJJTBQK-HOTGVXAUSA-N 1 0 310.482 3.009 10 0 DGAERO Cc1ccc(-c2noc(C[N@@H+](CC3CCC3)[C@@H](C)CO)n2)cc1 ZINC000563760862 315135886 /nfs/dbraw/zinc/13/58/86/315135886.db2.gz RQKOSIPUVSQTJY-AWEZNQCLSA-N 1 0 315.417 3.028 10 0 DGAERO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCOCC1CCC1 ZINC000566888855 315380957 /nfs/dbraw/zinc/38/09/57/315380957.db2.gz YYSMINCGBBTGJP-CYBMUJFWSA-N 1 0 320.433 3.121 10 0 DGAERO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cncc(Br)c1 ZINC000573266912 315852836 /nfs/dbraw/zinc/85/28/36/315852836.db2.gz SVIRJIZYDKZDLZ-OAHLLOKOSA-N 1 0 318.218 3.203 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1ccc(Br)cc1F ZINC000576077663 316091224 /nfs/dbraw/zinc/09/12/24/316091224.db2.gz YRZAHKNWAKFEDJ-ISTVAULSSA-N 1 0 315.230 3.189 10 0 DGAERO Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N(C)CCC[NH+](C)C ZINC000576646231 316152337 /nfs/dbraw/zinc/15/23/37/316152337.db2.gz BBDGMUDEPCZIBN-JKSUJKDBSA-N 1 0 302.462 3.386 10 0 DGAERO COC[C@@H](O)C[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000577068350 316199196 /nfs/dbraw/zinc/19/91/96/316199196.db2.gz RPFPNCFCGJTDPK-ULQDDVLXSA-N 1 0 311.853 3.353 10 0 DGAERO c1ccc(-c2nc(CN3CCC[C@H]3c3cccnc3)no2)cc1 ZINC000577238793 316216217 /nfs/dbraw/zinc/21/62/17/316216217.db2.gz OTVYPXREJIWWNF-INIZCTEOSA-N 1 0 306.369 3.469 10 0 DGAERO O=C(C[NH2+][C@H]1CCCC12CC2)Nc1ccc(Br)cc1 ZINC000578027264 316296568 /nfs/dbraw/zinc/29/65/68/316296568.db2.gz VBXUPBOXFGGRQU-ZDUSSCGKSA-N 1 0 323.234 3.310 10 0 DGAERO CCc1ccnc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000179948331 323218114 /nfs/dbraw/zinc/21/81/14/323218114.db2.gz STNRHSOCKVLNEK-UHFFFAOYSA-N 1 0 323.440 3.170 10 0 DGAERO CCC[C@@H](C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180083538 323220654 /nfs/dbraw/zinc/22/06/54/323220654.db2.gz FIAVSKAXHYAXBU-ZIAGYGMSSA-N 1 0 312.479 3.024 10 0 DGAERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1C ZINC000180111148 323221208 /nfs/dbraw/zinc/22/12/08/323221208.db2.gz WPWKJCUUSAUBNK-RTBURBONSA-N 1 0 308.425 3.479 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180488810 323230822 /nfs/dbraw/zinc/23/08/22/323230822.db2.gz YKYKUWLEQODWIK-VQIMIIECSA-N 1 0 320.477 3.093 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(-c2ccccc2)c1 ZINC000180499938 323231478 /nfs/dbraw/zinc/23/14/78/323231478.db2.gz ZRAPYRGINAEMIQ-UZLBHIALSA-N 1 0 310.441 3.335 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000180697141 323235980 /nfs/dbraw/zinc/23/59/80/323235980.db2.gz PETWRNKRXWBNGB-ZETOZRRWSA-N 1 0 300.368 3.483 10 0 DGAERO C[C@@H]([C@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 ZINC000180766368 323237363 /nfs/dbraw/zinc/23/73/63/323237363.db2.gz AVPZJMFIRUYKOZ-SGMGOOAPSA-N 1 0 320.399 3.344 10 0 DGAERO CCCc1cnc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)s1 ZINC000180804847 323238789 /nfs/dbraw/zinc/23/87/89/323238789.db2.gz HKUFEVAERPMDSR-QWHCGFSZSA-N 1 0 322.478 3.186 10 0 DGAERO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000180926894 323241155 /nfs/dbraw/zinc/24/11/55/323241155.db2.gz OFRGIEIPTPPQLY-MRXNPFEDSA-N 1 0 304.482 3.496 10 0 DGAERO CC(C)(CNC(=O)c1c[nH]c2cc(F)ccc12)[NH+]1CCCCC1 ZINC000181042976 323244321 /nfs/dbraw/zinc/24/43/21/323244321.db2.gz CFRRTEKDAPWIFQ-UHFFFAOYSA-N 1 0 317.408 3.301 10 0 DGAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC1(C)C ZINC000181045052 323245235 /nfs/dbraw/zinc/24/52/35/323245235.db2.gz SNONBZSJEZAXMA-OAHLLOKOSA-N 1 0 303.450 3.091 10 0 DGAERO CC(C)(C)NC(=O)C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000181256832 323250445 /nfs/dbraw/zinc/25/04/45/323250445.db2.gz OSFXTPYUIIQKMD-UHFFFAOYSA-N 1 0 310.388 3.238 10 0 DGAERO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(-c2cccnc2)cc1 ZINC000181278282 323251431 /nfs/dbraw/zinc/25/14/31/323251431.db2.gz GWNBQTVBZPIETP-HNNXBMFYSA-N 1 0 323.440 3.268 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000181440573 323254314 /nfs/dbraw/zinc/25/43/14/323254314.db2.gz NFJQNXMONGMROM-DLBZAZTESA-N 1 0 307.482 3.009 10 0 DGAERO Clc1ccc(Br)c(CC[NH2+][C@@H]2CCCOC2)c1 ZINC000181499064 323256805 /nfs/dbraw/zinc/25/68/05/323256805.db2.gz DBHJKTDSHCRRFT-GFCCVEGCSA-N 1 0 318.642 3.414 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCCc2nc(C(C)C)no2)C12CCCC2 ZINC000181666888 323263305 /nfs/dbraw/zinc/26/33/05/323263305.db2.gz LXKFLZFREFIXOJ-HUUCEWRRSA-N 1 0 321.465 3.453 10 0 DGAERO CC[N@@H+]1CCC[C@@H](Nc2nnc(Cc3ccccc3)s2)C1 ZINC000181852794 323271631 /nfs/dbraw/zinc/27/16/31/323271631.db2.gz MVDLLKCPPGQMBK-CQSZACIVSA-N 1 0 302.447 3.025 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)CC(C)C)cc1F ZINC000182008500 323279399 /nfs/dbraw/zinc/27/93/99/323279399.db2.gz PLEICTWMYKQVRZ-KBPBESRZSA-N 1 0 324.440 3.378 10 0 DGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000182031057 323280701 /nfs/dbraw/zinc/28/07/01/323280701.db2.gz WJNHPYJUNZHYPW-INIZCTEOSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(-n2ccnn2)cc1 ZINC000182047572 323281495 /nfs/dbraw/zinc/28/14/95/323281495.db2.gz UMUGYAGZPNHPBR-OAHLLOKOSA-N 1 0 321.428 3.184 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCCc2c(C)nn(C)c2C)C12CCCC2 ZINC000182109662 323283679 /nfs/dbraw/zinc/28/36/79/323283679.db2.gz JBNWXJPJPQZCQD-ROUUACIJSA-N 1 0 319.493 3.297 10 0 DGAERO CCC[C@H](C)C[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000182214364 323286935 /nfs/dbraw/zinc/28/69/35/323286935.db2.gz QLFLQDDBVCXMRV-AWEZNQCLSA-N 1 0 302.418 3.089 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CCCOc2ccccc21 ZINC000182227335 323288103 /nfs/dbraw/zinc/28/81/03/323288103.db2.gz FJUORPGLSPAZSR-UGSOOPFHSA-N 1 0 313.445 3.471 10 0 DGAERO C[C@H]([NH2+]CCCCCn1cccn1)c1ccc2c(c1)OCO2 ZINC000182289247 323291377 /nfs/dbraw/zinc/29/13/77/323291377.db2.gz BWWKPDFNJPVLGA-AWEZNQCLSA-N 1 0 301.390 3.133 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000182397030 323296554 /nfs/dbraw/zinc/29/65/54/323296554.db2.gz DWVBERFRBRPLIT-PWSUYJOCSA-N 1 0 302.249 3.303 10 0 DGAERO CCC[C@@H](C(=O)N[C@H]1CCCOc2cc(Cl)ccc21)[NH+](C)C ZINC000182451993 323300007 /nfs/dbraw/zinc/30/00/07/323300007.db2.gz YEVWCANVOMDURI-GJZGRUSLSA-N 1 0 324.852 3.400 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182503035 323302505 /nfs/dbraw/zinc/30/25/05/323302505.db2.gz UZUKYYLYHMEGNM-LZWOXQAQSA-N 1 0 302.418 3.144 10 0 DGAERO CC[NH+](CC)CCNC(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000182538280 323303879 /nfs/dbraw/zinc/30/38/79/323303879.db2.gz DURQQMAAWCQPKS-UHFFFAOYSA-N 1 0 311.813 3.006 10 0 DGAERO CCc1cnccc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000182542066 323304512 /nfs/dbraw/zinc/30/45/12/323304512.db2.gz KDBMGHKIMMCYLX-UHFFFAOYSA-N 1 0 303.450 3.030 10 0 DGAERO CCC[C@@H](C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1)[NH+](C)C ZINC000182911419 323316467 /nfs/dbraw/zinc/31/64/67/323316467.db2.gz BSFBZUPFPFIZRY-INIZCTEOSA-N 1 0 314.433 3.158 10 0 DGAERO C[NH+](C)CC(C)(C)CNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000182935361 323317157 /nfs/dbraw/zinc/31/71/57/323317157.db2.gz VMYCDMSOQSONJO-UHFFFAOYSA-N 1 0 322.415 3.449 10 0 DGAERO C[C@@H](CCNC(=O)C1(c2ccc(F)cc2)CC1)[NH+]1CCCCC1 ZINC000183112997 323326261 /nfs/dbraw/zinc/32/62/61/323326261.db2.gz DLMDQLJJZNFJMJ-HNNXBMFYSA-N 1 0 318.436 3.238 10 0 DGAERO C[C@@H]([NH2+]CC1(C)CCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000183330226 323334115 /nfs/dbraw/zinc/33/41/15/323334115.db2.gz CHVPZVVJSSRPNQ-CQSZACIVSA-N 1 0 324.490 3.345 10 0 DGAERO C[C@H]([NH2+]CC1(C)CCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000183330207 323334560 /nfs/dbraw/zinc/33/45/60/323334560.db2.gz CHVPZVVJSSRPNQ-AWEZNQCLSA-N 1 0 324.490 3.345 10 0 DGAERO CCC(C)(C)c1ccc(C[NH2+][C@@H](C)CS(=O)(=O)CC)cc1 ZINC000183378480 323336008 /nfs/dbraw/zinc/33/60/08/323336008.db2.gz YFZOQJBBIOCDIQ-AWEZNQCLSA-N 1 0 311.491 3.287 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c(F)c1 ZINC000183474679 323339072 /nfs/dbraw/zinc/33/90/72/323339072.db2.gz FKDINSWYDXTCQO-GFCCVEGCSA-N 1 0 319.424 3.468 10 0 DGAERO c1cnc2c(c1)cccc2OCCC[NH2+][C@@H]1CCCSC1 ZINC000183602648 323343487 /nfs/dbraw/zinc/34/34/87/323343487.db2.gz IFELJZNBBZIQRQ-OAHLLOKOSA-N 1 0 302.443 3.489 10 0 DGAERO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCn1ccnn1 ZINC000184263581 323360060 /nfs/dbraw/zinc/36/00/60/323360060.db2.gz XZLUXHUBXQOCQH-CQSZACIVSA-N 1 0 324.881 3.482 10 0 DGAERO CC(C)[N@H+](C)CC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000184325625 323362471 /nfs/dbraw/zinc/36/24/71/323362471.db2.gz ACZKJHXSSNAJEP-ZDUSSCGKSA-N 1 0 324.293 3.025 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1cc2ccccc2s1)CS(C)(=O)=O ZINC000184364254 323362859 /nfs/dbraw/zinc/36/28/59/323362859.db2.gz URLUYHWGCXOCFM-VXGBXAGGSA-N 1 0 311.472 3.233 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C)cc1)c1nc(C)cs1 ZINC000184401179 323364374 /nfs/dbraw/zinc/36/43/74/323364374.db2.gz BBASBHATSYUUGT-ZBFHGGJFSA-N 1 0 320.458 3.241 10 0 DGAERO COc1cccc(F)c1[C@H](C)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000184548934 323367925 /nfs/dbraw/zinc/36/79/25/323367925.db2.gz RIEPGGLWYXFQAX-HOCLYGCPSA-N 1 0 317.404 3.479 10 0 DGAERO C[C@H](NCc1ccncc1Cl)c1cn(-c2ccccc2)nn1 ZINC000185460368 323389455 /nfs/dbraw/zinc/38/94/55/323389455.db2.gz XXUNQBSFQONFJJ-LBPRGKRZSA-N 1 0 313.792 3.167 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc2c(c1)OCCCO2 ZINC000187842676 323419896 /nfs/dbraw/zinc/41/98/96/323419896.db2.gz LRSSLGMIEXQRIC-ZFWWWQNUSA-N 1 0 305.418 3.456 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2C)ccc1F ZINC000191574476 323447909 /nfs/dbraw/zinc/44/79/09/323447909.db2.gz HUKNGLMMPDKWBI-YOEHRIQHSA-N 1 0 317.404 3.397 10 0 DGAERO c1cn(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)c2ccccc12 ZINC000351112691 323546791 /nfs/dbraw/zinc/54/67/91/323546791.db2.gz XFQAOFCWJWJIBY-UHFFFAOYSA-N 1 0 315.336 3.387 10 0 DGAERO Cn1ncc(Br)c1C[NH2+]CCC1CCCCC1 ZINC000383807764 323625919 /nfs/dbraw/zinc/62/59/19/323625919.db2.gz UTXYSICOISVJRZ-UHFFFAOYSA-N 1 0 300.244 3.243 10 0 DGAERO C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@@]1(C)C[NH3+] ZINC000388285673 323650624 /nfs/dbraw/zinc/65/06/24/323650624.db2.gz SVOWJKSRNPQDGU-YMTOWFKASA-N 1 0 301.217 3.050 10 0 DGAERO CCn1c(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)nc2ccccc21 ZINC000580590014 324016921 /nfs/dbraw/zinc/01/69/21/324016921.db2.gz SQOALVMTKWXZDF-CQSZACIVSA-N 1 0 322.412 3.324 10 0 DGAERO Clc1ccc2nc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)cn2c1 ZINC000581546298 324128864 /nfs/dbraw/zinc/12/88/64/324128864.db2.gz FUEVJEWWNQMBGN-CQSZACIVSA-N 1 0 312.804 3.372 10 0 DGAERO c1nc(-c2ccncc2)sc1CN1CCOC[C@@H]1C1CCC1 ZINC000582421226 324227677 /nfs/dbraw/zinc/22/76/77/324227677.db2.gz JWYDJKQSJXFFQM-MRXNPFEDSA-N 1 0 315.442 3.206 10 0 DGAERO c1c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)[nH]nc1-c1ccccc1 ZINC000582486094 324236066 /nfs/dbraw/zinc/23/60/66/324236066.db2.gz FFIBVEUYCMFJFH-VQIMIIECSA-N 1 0 311.429 3.468 10 0 DGAERO CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(C2CCOCC2)CC1 ZINC000582507419 324238889 /nfs/dbraw/zinc/23/88/89/324238889.db2.gz QVXBHVFKTWQQBQ-KRWDZBQOSA-N 1 0 311.466 3.103 10 0 DGAERO c1ccc(N2CCC([NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000582975309 324298301 /nfs/dbraw/zinc/29/83/01/324298301.db2.gz FRVVDTCCBNIVOQ-SFHVURJKSA-N 1 0 300.446 3.204 10 0 DGAERO CCCCOCC[NH2+]Cc1cccc(Br)c1F ZINC000394917213 1176771969 /nfs/dbraw/zinc/77/19/69/1176771969.db2.gz SSLVVPKRIJFPBA-UHFFFAOYSA-N 1 0 304.203 3.495 10 0 DGAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(-c2cccnc2)cc1 ZINC000178844224 500923131 /nfs/dbraw/zinc/92/31/31/500923131.db2.gz NMOXRGSEVMPIFL-KSSFIOAISA-N 1 0 309.413 3.068 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000148325790 533777322 /nfs/dbraw/zinc/77/73/22/533777322.db2.gz KYSSMISDTDOSNO-QRTARXTBSA-N 1 0 307.459 3.401 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000176005151 533779406 /nfs/dbraw/zinc/77/94/06/533779406.db2.gz ZLJZZSHTNUKLLQ-UKRRQHHQSA-N 1 0 308.491 3.320 10 0 DGAERO COc1cccc([C@H]2[C@@H](Nc3nccc(C)n3)CC[N@@H+]2C2CC2)c1 ZINC000302054316 533804228 /nfs/dbraw/zinc/80/42/28/533804228.db2.gz POPBEQZSAQCBCM-ROUUACIJSA-N 1 0 324.428 3.184 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000177048011 533915747 /nfs/dbraw/zinc/91/57/47/533915747.db2.gz NBILVOAGIGVXHX-PVAVHDDUSA-N 1 0 312.457 3.238 10 0 DGAERO c1cc(CSC[C@@H]2COCCO2)cc(C[NH+]2CCCCC2)c1 ZINC000419560971 534469730 /nfs/dbraw/zinc/46/97/30/534469730.db2.gz RIXJENVXLKFOAY-SFHVURJKSA-N 1 0 321.486 3.321 10 0 DGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157575150 521054077 /nfs/dbraw/zinc/05/40/77/521054077.db2.gz AYKTWDLIQXJDBG-YDHLFZDLSA-N 1 0 322.497 3.290 10 0 DGAERO CCCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)n1 ZINC000070456445 521382142 /nfs/dbraw/zinc/38/21/42/521382142.db2.gz SPPMOENDOPSOBM-MRXNPFEDSA-N 1 0 314.408 3.399 10 0 DGAERO Clc1ccc(-n2cc(C[N@@H+]3CCCC34CCC4)nn2)cc1 ZINC000444784606 534635923 /nfs/dbraw/zinc/63/59/23/534635923.db2.gz OAJYHADQDIDLDP-UHFFFAOYSA-N 1 0 302.809 3.439 10 0 DGAERO CCc1oc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000153546435 522979102 /nfs/dbraw/zinc/97/91/02/522979102.db2.gz KJMZXASIKILVRG-GDBMZVCRSA-N 1 0 316.445 3.239 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000129973402 524104207 /nfs/dbraw/zinc/10/42/07/524104207.db2.gz QPVKUACIEFUFCH-OAHLLOKOSA-N 1 0 311.429 3.386 10 0 DGAERO C[C@@H](CC(=O)N(C)Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000156057433 524344006 /nfs/dbraw/zinc/34/40/06/524344006.db2.gz IIFAANUENMMHDU-DZGCQCFKSA-N 1 0 308.853 3.324 10 0 DGAERO Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CCO1 ZINC000328625191 534815226 /nfs/dbraw/zinc/81/52/26/534815226.db2.gz CXSSUXRKVWIVML-RDTXWAMCSA-N 1 0 311.385 3.176 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCOCC2CC2)cc1NC(C)=O ZINC000162882442 525149211 /nfs/dbraw/zinc/14/92/11/525149211.db2.gz WGZQVDNMIBNOGG-CYBMUJFWSA-N 1 0 320.433 3.121 10 0 DGAERO Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)n1 ZINC000070456213 525273497 /nfs/dbraw/zinc/27/34/97/525273497.db2.gz YZVPQFRQYIKYJO-CYBMUJFWSA-N 1 0 300.381 3.003 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1F ZINC000154124099 525919617 /nfs/dbraw/zinc/91/96/17/525919617.db2.gz KJUWYOZDPVMKLK-AWEZNQCLSA-N 1 0 321.417 3.259 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000157370176 525955045 /nfs/dbraw/zinc/95/50/45/525955045.db2.gz TVDMZHPUPJEWJW-BWTKPXILSA-N 1 0 312.457 3.341 10 0 DGAERO Cc1csc(C2CC[NH+](CC(=O)N(C(C)C)C(C)C)CC2)n1 ZINC000156751948 526329937 /nfs/dbraw/zinc/32/99/37/526329937.db2.gz UIDRNAOBWQPGNG-UHFFFAOYSA-N 1 0 323.506 3.276 10 0 DGAERO CC(=O)N(c1nc(C[NH2+]C2CCC3(CC3)CC2)cs1)C1CC1 ZINC000434774396 526506460 /nfs/dbraw/zinc/50/64/60/526506460.db2.gz IIWNVWWSRPBWDL-UHFFFAOYSA-N 1 0 319.474 3.471 10 0 DGAERO Brc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415058273 526639343 /nfs/dbraw/zinc/63/93/43/526639343.db2.gz VHZIDBGEHUOBJZ-HOCLYGCPSA-N 1 0 323.278 3.413 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCOC1)CC2 ZINC000310735644 526644650 /nfs/dbraw/zinc/64/46/50/526644650.db2.gz YTPKRHHXXYTZKX-ABAIWWIYSA-N 1 0 310.235 3.453 10 0 DGAERO CC(=O)N1CC[C@@H](C[N@H+](C)CCc2ccc(C(C)(C)C)cc2)C1 ZINC000428282504 526647298 /nfs/dbraw/zinc/64/72/98/526647298.db2.gz FSOITMBNRRGZPR-SFHVURJKSA-N 1 0 316.489 3.327 10 0 DGAERO CC(=O)N1CC[C@H](C[N@H+](C)CCc2ccc(C(C)(C)C)cc2)C1 ZINC000428282502 526661077 /nfs/dbraw/zinc/66/10/77/526661077.db2.gz FSOITMBNRRGZPR-GOSISDBHSA-N 1 0 316.489 3.327 10 0 DGAERO Clc1nc2c3ccccc3oc2c(N[C@@H]2CCC[NH2+]C2)n1 ZINC000073736300 527007601 /nfs/dbraw/zinc/00/76/01/527007601.db2.gz MEEMJTNHSCUOEC-SECBINFHSA-N 1 0 302.765 3.193 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000154789322 527122972 /nfs/dbraw/zinc/12/29/72/527122972.db2.gz QLOZRNAOUKRATQ-HOTGVXAUSA-N 1 0 310.482 3.010 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)c1cnc(C)cn1)CC2 ZINC000428304905 527338880 /nfs/dbraw/zinc/33/88/80/527338880.db2.gz XYWKHQYGJNUBJB-CQSZACIVSA-N 1 0 309.413 3.149 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)c1cnc(C)cn1)CC2 ZINC000428304903 527339619 /nfs/dbraw/zinc/33/96/19/527339619.db2.gz XYWKHQYGJNUBJB-AWEZNQCLSA-N 1 0 309.413 3.149 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N(CCc2ccccc2)c2ccccc2)C1 ZINC000237952010 527368710 /nfs/dbraw/zinc/36/87/10/527368710.db2.gz VESHETJYUVKVEH-ZWKOTPCHSA-N 1 0 308.425 3.390 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000431119935 527368548 /nfs/dbraw/zinc/36/85/48/527368548.db2.gz SLDRFPKJCCRCQU-GJVKMHQDSA-N 1 0 314.429 3.385 10 0 DGAERO [NH3+][C@H]1CCCN(c2ccc(-c3ccc(C(F)(F)F)cc3)nn2)C1 ZINC000088343371 527402264 /nfs/dbraw/zinc/40/22/64/527402264.db2.gz GQZHETJTJWHIFV-ZDUSSCGKSA-N 1 0 322.334 3.090 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183220155 527466980 /nfs/dbraw/zinc/46/69/80/527466980.db2.gz ONKVRUHAGXCQFF-GFCCVEGCSA-N 1 0 310.388 3.262 10 0 DGAERO CC(C)C1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000176358071 527604384 /nfs/dbraw/zinc/60/43/84/527604384.db2.gz MYWDIEFUWOSCOX-MRXNPFEDSA-N 1 0 307.482 3.083 10 0 DGAERO CC1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000176623688 527959340 /nfs/dbraw/zinc/95/93/40/527959340.db2.gz BVGABZQONBBSLL-UHFFFAOYSA-N 1 0 315.461 3.272 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000173966759 527966388 /nfs/dbraw/zinc/96/63/88/527966388.db2.gz MXKXNPCLUZUVSA-KBPBESRZSA-N 1 0 318.383 3.218 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)Nc1cn(C)nc1C(C)C ZINC000435178743 528077990 /nfs/dbraw/zinc/07/79/90/528077990.db2.gz SAIRWYVUXZUJSC-UHFFFAOYSA-N 1 0 323.485 3.129 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000174236768 528136818 /nfs/dbraw/zinc/13/68/18/528136818.db2.gz VPGUDWJTPJVVGH-DLBZAZTESA-N 1 0 302.462 3.418 10 0 DGAERO CCCCC[N@H+](CCO)Cc1csc(Br)c1 ZINC000164029358 528180083 /nfs/dbraw/zinc/18/00/83/528180083.db2.gz LPAZPDDQPRIQEP-UHFFFAOYSA-N 1 0 306.269 3.495 10 0 DGAERO CCC[N@@H+]1CCCN(c2c(C)cnc3c(OC)cccc32)CC1 ZINC000302663813 528219079 /nfs/dbraw/zinc/21/90/79/528219079.db2.gz POLYYECWUUSEJE-UHFFFAOYSA-N 1 0 313.445 3.474 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNCc1sccc1Br ZINC000309473327 528232798 /nfs/dbraw/zinc/23/27/98/528232798.db2.gz RFMSZZQLDZHSSD-JTQLQIEISA-N 1 0 305.285 3.331 10 0 DGAERO CCCCOC[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000195218249 528626351 /nfs/dbraw/zinc/62/63/51/528626351.db2.gz JVHCZWHWTPMBFC-GOSISDBHSA-N 1 0 305.462 3.309 10 0 DGAERO CCCOc1cccc(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000162087404 528739825 /nfs/dbraw/zinc/73/98/25/528739825.db2.gz RAQMAJXQWLRERS-MRXNPFEDSA-N 1 0 318.461 3.009 10 0 DGAERO CCN(Cc1c[nH]c2ccccc12)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000443384723 528762288 /nfs/dbraw/zinc/76/22/88/528762288.db2.gz NXDMSEYSUWOPSA-KRWDZBQOSA-N 1 0 301.434 3.103 10 0 DGAERO CC[N@H+](Cc1cnn(CCOC)c1)Cc1c[nH]c2ccccc12 ZINC000443857305 528879269 /nfs/dbraw/zinc/87/92/69/528879269.db2.gz TYXJNXSQSKZXQT-UHFFFAOYSA-N 1 0 312.417 3.033 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@H](c2cccnc2)C(C)C)CC1 ZINC000435456552 528966297 /nfs/dbraw/zinc/96/62/97/528966297.db2.gz AYVRAFVOOABIFE-SFHVURJKSA-N 1 0 317.477 3.059 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2cccc(O)c2Br)O1 ZINC000459491395 535321471 /nfs/dbraw/zinc/32/14/71/535321471.db2.gz LXMHWPQSEJOZMN-NSHDSACASA-N 1 0 314.223 3.202 10 0 DGAERO C[NH+](C)CCCCNC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000448976076 535828369 /nfs/dbraw/zinc/82/83/69/535828369.db2.gz RVYWARPWMWRANM-UHFFFAOYSA-N 1 0 308.853 3.121 10 0 DGAERO CCn1nncc1C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000459390549 535927246 /nfs/dbraw/zinc/92/72/46/535927246.db2.gz BLLNFQOHQQBDLT-AWEZNQCLSA-N 1 0 302.397 3.207 10 0 DGAERO COc1cccc2c1CC[N@H+](CCOc1ccccc1F)CC2 ZINC000489585508 536942230 /nfs/dbraw/zinc/94/22/30/536942230.db2.gz NDQOHMBTKRZOPP-UHFFFAOYSA-N 1 0 315.388 3.314 10 0 DGAERO CC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccc(OC)c(OC)c1 ZINC000036095741 545670673 /nfs/dbraw/zinc/67/06/73/545670673.db2.gz VOILHSNYVZCKIM-HNNXBMFYSA-N 1 0 319.401 3.070 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307822 545700384 /nfs/dbraw/zinc/70/03/84/545700384.db2.gz ZAARDRRXQJDURG-LLVKDONJSA-N 1 0 315.244 3.342 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1 ZINC000087135744 545802077 /nfs/dbraw/zinc/80/20/77/545802077.db2.gz XFPCIKCAUDDIRU-GJZGRUSLSA-N 1 0 321.440 3.226 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)CC2CC[NH+](C)CC2)cc1F ZINC000087282639 545803665 /nfs/dbraw/zinc/80/36/65/545803665.db2.gz HFMDXXWBMGHRIU-AWEZNQCLSA-N 1 0 321.440 3.178 10 0 DGAERO C[C@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)s1 ZINC000087617587 545805741 /nfs/dbraw/zinc/80/57/41/545805741.db2.gz JXWGYPOEXUCQEA-GWCFXTLKSA-N 1 0 320.845 3.466 10 0 DGAERO C[C@@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)s1 ZINC000087617589 545805910 /nfs/dbraw/zinc/80/59/10/545805910.db2.gz JXWGYPOEXUCQEA-MFKMUULPSA-N 1 0 320.845 3.466 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089454041 545815152 /nfs/dbraw/zinc/81/51/52/545815152.db2.gz REHFKUTVIMFXQE-JQWIXIFHSA-N 1 0 311.223 3.071 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000092955632 545851957 /nfs/dbraw/zinc/85/19/57/545851957.db2.gz BZABOZRHBCWFHM-QXEWZRGKSA-N 1 0 301.217 3.169 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1C ZINC000093585429 545858668 /nfs/dbraw/zinc/85/86/68/545858668.db2.gz PIAKNELEDLRWPZ-IEBWSBKVSA-N 1 0 303.446 3.439 10 0 DGAERO c1cn(C2CCCC2)nc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000095988101 545860933 /nfs/dbraw/zinc/86/09/33/545860933.db2.gz WOITVOIRMASVPJ-BZSNNMDCSA-N 1 0 315.461 3.436 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNc1cc(C)nc(-c2ccncc2)n1 ZINC000112081077 545873109 /nfs/dbraw/zinc/87/31/09/545873109.db2.gz ZNVJWPYMVYJFSB-MRXNPFEDSA-N 1 0 311.433 3.133 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123799288 545908331 /nfs/dbraw/zinc/90/83/31/545908331.db2.gz HOTYJVQITXKZPZ-SJLPKXTDSA-N 1 0 302.462 3.259 10 0 DGAERO CCCOc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1OCCC ZINC000174019151 546105092 /nfs/dbraw/zinc/10/50/92/546105092.db2.gz SBZMTIJLJATTSH-CQSZACIVSA-N 1 0 320.433 3.202 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000177331760 546121398 /nfs/dbraw/zinc/12/13/98/546121398.db2.gz SDRVRJCBEDDKQE-WBVHZDCISA-N 1 0 318.461 3.132 10 0 DGAERO C[NH+](C)C1CCN(C(=O)Nc2cccnc2-c2ccccc2)CC1 ZINC000179463583 546135885 /nfs/dbraw/zinc/13/58/85/546135885.db2.gz VODSJJKHKRPWSL-UHFFFAOYSA-N 1 0 324.428 3.307 10 0 DGAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000179963041 546139814 /nfs/dbraw/zinc/13/98/14/546139814.db2.gz HQGHPUBLBFPKBB-CYBMUJFWSA-N 1 0 304.463 3.127 10 0 DGAERO C[C@@H](CCCc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000180567006 546146599 /nfs/dbraw/zinc/14/65/99/546146599.db2.gz UHHGFWWPTMBCBN-INIZCTEOSA-N 1 0 302.462 3.198 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)cc1F ZINC000181374307 546156306 /nfs/dbraw/zinc/15/63/06/546156306.db2.gz GIUWWNKQSIQCAO-NSHDSACASA-N 1 0 321.783 3.472 10 0 DGAERO CO[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(F)cc1 ZINC000181998883 546162708 /nfs/dbraw/zinc/16/27/08/546162708.db2.gz UKKAZUCXGZVSQT-MLHJIOFPSA-N 1 0 319.420 3.451 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC1)CCCO2 ZINC000182385932 546165034 /nfs/dbraw/zinc/16/50/34/546165034.db2.gz VFAZGZVPEPPTFG-AAEUAGOBSA-N 1 0 312.207 3.041 10 0 DGAERO Cc1csc(=O)n1CC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000183007530 546171035 /nfs/dbraw/zinc/17/10/35/546171035.db2.gz YASAMPGIWDZSPK-SECBINFHSA-N 1 0 302.852 3.284 10 0 DGAERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c(Cl)c1 ZINC000183162357 546171539 /nfs/dbraw/zinc/17/15/39/546171539.db2.gz GKYPLMSSCTVWCY-XUJVJEKNSA-N 1 0 310.825 3.133 10 0 DGAERO Cc1noc([C@@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)n1 ZINC000183119380 546172119 /nfs/dbraw/zinc/17/21/19/546172119.db2.gz GDQRLXKGBJVOLJ-MRXNPFEDSA-N 1 0 308.385 3.306 10 0 DGAERO c1csc([C@@H]2CN(Cc3cccc4cnccc43)CCO2)n1 ZINC000183246799 546174354 /nfs/dbraw/zinc/17/43/54/546174354.db2.gz OCKCTKUWFKEDLY-INIZCTEOSA-N 1 0 311.410 3.265 10 0 DGAERO c1csc([C@H]2CN(Cc3cccc4cnccc43)CCO2)n1 ZINC000183246818 546174421 /nfs/dbraw/zinc/17/44/21/546174421.db2.gz OCKCTKUWFKEDLY-MRXNPFEDSA-N 1 0 311.410 3.265 10 0 DGAERO O=C(NCc1ccc(C(F)F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000183952490 546179315 /nfs/dbraw/zinc/17/93/15/546179315.db2.gz SZLIZKBZOJGVTG-UHFFFAOYSA-N 1 0 323.387 3.050 10 0 DGAERO Brc1ccc2[nH]c(C[NH2+][C@H]3CCCOC3)cc2c1 ZINC000184673407 546184019 /nfs/dbraw/zinc/18/40/19/546184019.db2.gz TYGVBNFPKWHHNJ-LBPRGKRZSA-N 1 0 309.207 3.199 10 0 DGAERO CCC1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000185898421 546191644 /nfs/dbraw/zinc/19/16/44/546191644.db2.gz ARLKVVGMFKEVBH-VDSRIPIWSA-N 1 0 308.853 3.295 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CCOCC1 ZINC000187742988 546201203 /nfs/dbraw/zinc/20/12/03/546201203.db2.gz GYAIOJGILCCAMM-IHRRRGAJSA-N 1 0 309.372 3.139 10 0 DGAERO CCc1nn(C)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191660114 546226800 /nfs/dbraw/zinc/22/68/00/546226800.db2.gz AUWUMGRKRZPJIQ-ZDUSSCGKSA-N 1 0 303.372 3.393 10 0 DGAERO COc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1F ZINC000192704667 546236495 /nfs/dbraw/zinc/23/64/95/546236495.db2.gz CSMIDWWXOPGWEM-APWZRJJASA-N 1 0 314.404 3.369 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000192978697 546239837 /nfs/dbraw/zinc/23/98/37/546239837.db2.gz DKYXYWLYESQDOX-UONOGXRCSA-N 1 0 318.442 3.054 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccn(C)c1C ZINC000195202898 546252995 /nfs/dbraw/zinc/25/29/95/546252995.db2.gz XULHLFYNJLTRAH-UHFFFAOYSA-N 1 0 313.445 3.057 10 0 DGAERO Cc1c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1C ZINC000195225783 546253021 /nfs/dbraw/zinc/25/30/21/546253021.db2.gz ATIOZWXYRSPOBV-KRWDZBQOSA-N 1 0 317.477 3.062 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Br)ccc1F ZINC000211723514 546259097 /nfs/dbraw/zinc/25/90/97/546259097.db2.gz MTDILXJMYZQXEP-PWSUYJOCSA-N 1 0 315.230 3.333 10 0 DGAERO COC[C@H](C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)OC ZINC000227716262 546268848 /nfs/dbraw/zinc/26/88/48/546268848.db2.gz ZFKDHBYJIRDBGC-IUCAKERBSA-N 1 0 310.196 3.445 10 0 DGAERO C([NH2+][C@H]1CCOC2(CCSCC2)C1)C1CCSCC1 ZINC000229260846 546272134 /nfs/dbraw/zinc/27/21/34/546272134.db2.gz YYBDDSCITQIWTI-AWEZNQCLSA-N 1 0 301.521 3.164 10 0 DGAERO O[C@@H]1CCCC[C@H]1[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000245575534 546297797 /nfs/dbraw/zinc/29/77/97/546297797.db2.gz AVAAZXDEEKJHMF-WOJBJXKFSA-N 1 0 314.473 3.065 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000246149994 546302178 /nfs/dbraw/zinc/30/21/78/546302178.db2.gz GWCATSCBYRFCNH-IPYPFGDCSA-N 1 0 319.424 3.120 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCOC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000246342392 546303627 /nfs/dbraw/zinc/30/36/27/546303627.db2.gz GYWQLFFZJJAGQA-IEZWGBDMSA-N 1 0 319.445 3.080 10 0 DGAERO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247959013 546312950 /nfs/dbraw/zinc/31/29/50/546312950.db2.gz FYTBDSALNADHEM-HNAYVOBHSA-N 1 0 311.429 3.065 10 0 DGAERO CC[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CC[C@H]1[NH3+] ZINC000251677252 546330106 /nfs/dbraw/zinc/33/01/06/546330106.db2.gz HTRFRLOCTKUCRX-GZMMTYOYSA-N 1 0 307.747 3.317 10 0 DGAERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCCC2 ZINC000262481098 546340512 /nfs/dbraw/zinc/34/05/12/546340512.db2.gz JZOIFAVFVFHINK-KBXCAEBGSA-N 1 0 300.446 3.275 10 0 DGAERO Brc1cccc2[nH]cc(CC[NH2+][C@@H]3CCCOC3)c21 ZINC000289765977 546414319 /nfs/dbraw/zinc/41/43/19/546414319.db2.gz LXDNJGFLQFJFFL-GFCCVEGCSA-N 1 0 323.234 3.242 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2cscc2Br)C1 ZINC000304608966 546440707 /nfs/dbraw/zinc/44/07/07/546440707.db2.gz NJQNZKLGIUYWSW-KOLCDFICSA-N 1 0 304.253 3.151 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCOCc1ccccc1 ZINC000309786170 546451453 /nfs/dbraw/zinc/45/14/53/546451453.db2.gz GLSHPQRZLGYPLZ-GUDVDZBRSA-N 1 0 303.446 3.219 10 0 DGAERO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312610850 546453286 /nfs/dbraw/zinc/45/32/86/546453286.db2.gz WTSWALAACHHKGF-XPUUQOCRSA-N 1 0 300.276 3.257 10 0 DGAERO c1oc(-c2ccccc2)nc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321966151 546472564 /nfs/dbraw/zinc/47/25/64/546472564.db2.gz JPOSFULDIXWAED-AEFFLSMTSA-N 1 0 311.429 3.306 10 0 DGAERO Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000333358629 546505695 /nfs/dbraw/zinc/50/56/95/546505695.db2.gz SLUPWMXOGDUSHO-CQSZACIVSA-N 1 0 300.406 3.082 10 0 DGAERO C1[C@@H](c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)[C@@H]1C1CCCC1 ZINC000351442890 546639169 /nfs/dbraw/zinc/63/91/69/546639169.db2.gz BDAVQZFWNIQSNE-QKPAOTATSA-N 1 0 317.433 3.289 10 0 DGAERO CCCN1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000389291219 546751956 /nfs/dbraw/zinc/75/19/56/546751956.db2.gz XPQIGNMHFKOJHN-LBPRGKRZSA-N 1 0 315.230 3.162 10 0 DGAERO C[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCC[C@H](O)C1 ZINC000394113185 546760231 /nfs/dbraw/zinc/76/02/31/546760231.db2.gz NEGSNASOENJSDB-HIFRSBDPSA-N 1 0 312.251 3.432 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)c(Br)c1 ZINC000396628742 546762390 /nfs/dbraw/zinc/76/23/90/546762390.db2.gz FVABPYOOIHACBU-NSHDSACASA-N 1 0 314.223 3.115 10 0 DGAERO [NH3+]Cc1c(-c2cccc(Br)c2)nc2ccc(F)cn21 ZINC000675075842 548149508 /nfs/dbraw/zinc/14/95/08/548149508.db2.gz SIZBCKATKGMOIO-UHFFFAOYSA-N 1 0 320.165 3.362 10 0 DGAERO CC[N@H+](C)Cc1cc(C)c(I)cc1C ZINC000675075489 548150046 /nfs/dbraw/zinc/15/00/46/548150046.db2.gz QATSRLXNNQDGIF-UHFFFAOYSA-N 1 0 303.187 3.360 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(C1)[NH2+]CCc1occc12 ZINC000724099526 563496192 /nfs/dbraw/zinc/49/61/92/563496192.db2.gz IGDJHGFZTBQZBX-SJKOYZFVSA-N 1 0 306.406 3.088 10 0 DGAERO Fc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1Br ZINC000725270291 563576181 /nfs/dbraw/zinc/57/61/81/563576181.db2.gz ZOIUIRGZWGOYLB-RISCZKNCSA-N 1 0 314.198 3.103 10 0 DGAERO C[C@H](C(=O)Nc1ccc2c(c1)CCCN2C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000731838220 574560135 /nfs/dbraw/zinc/56/01/35/574560135.db2.gz VZSPZHOWSSPVCT-QLFBSQMISA-N 1 0 315.461 3.269 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccc(F)c(F)c2)C1 ZINC000675052699 563855909 /nfs/dbraw/zinc/85/59/09/563855909.db2.gz CUDZJSOKBPNEED-RISCZKNCSA-N 1 0 312.360 3.283 10 0 DGAERO CN1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Br)c(Cl)c1 ZINC000675053124 563856359 /nfs/dbraw/zinc/85/63/59/563856359.db2.gz GFWOGRRHCBQUOE-BXKDBHETSA-N 1 0 303.631 3.197 10 0 DGAERO Cc1cc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)ccc1F ZINC000675053093 563856398 /nfs/dbraw/zinc/85/63/98/563856398.db2.gz FQPGXERFAQVCBI-ZFWWWQNUSA-N 1 0 308.397 3.452 10 0 DGAERO Cc1ccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c(F)c1 ZINC000675054160 563861684 /nfs/dbraw/zinc/86/16/84/563861684.db2.gz MFRUMPVIIXJDMT-IUODEOHRSA-N 1 0 308.397 3.452 10 0 DGAERO CC[N@@H+]1CCC[C@H](CNC(=O)/C=C(/C)c2cccc(F)c2)C1 ZINC000732064008 574565790 /nfs/dbraw/zinc/56/57/90/574565790.db2.gz STQNQEOUFXWHSY-BAAYTWLHSA-N 1 0 304.409 3.077 10 0 DGAERO C/C(=C\C(=O)NC[C@@H](C)[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732059372 574566034 /nfs/dbraw/zinc/56/60/34/574566034.db2.gz FDKUEGVMZODYQZ-ATGUSINASA-N 1 0 304.409 3.220 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC2(C1)CCCCC2 ZINC000741863280 574973669 /nfs/dbraw/zinc/97/36/69/574973669.db2.gz IMASQVOXKVCOCE-HNNXBMFYSA-N 1 0 309.523 3.001 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)/C=C(/C)c2cccc(F)c2)CC1 ZINC000742098479 574981042 /nfs/dbraw/zinc/98/10/42/574981042.db2.gz OAPZNVXPMMZKED-SQFISAMPSA-N 1 0 318.436 3.467 10 0 DGAERO CC[S@](=O)CC[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000742369621 574992799 /nfs/dbraw/zinc/99/27/99/574992799.db2.gz AHBAIPNCYBZHFW-QFIPXVFZSA-N 1 0 317.454 3.220 10 0 DGAERO CC[NH+]1CCC(CCNc2nnc(C)cc2C(F)(F)F)CC1 ZINC000742414704 574998265 /nfs/dbraw/zinc/99/82/65/574998265.db2.gz CZRQHCAVNGHWHC-UHFFFAOYSA-N 1 0 316.371 3.338 10 0 DGAERO C/C(=C/C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C(C)(C)C ZINC000742567746 575006452 /nfs/dbraw/zinc/00/64/52/575006452.db2.gz TZAUWOSSWMGTRA-MLRPBERTSA-N 1 0 302.462 3.268 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000398516592 575963760 /nfs/dbraw/zinc/96/37/60/575963760.db2.gz SUJYTOSUDVAQRE-CQSZACIVSA-N 1 0 307.768 3.438 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000238853270 575999004 /nfs/dbraw/zinc/99/90/04/575999004.db2.gz IWJGXWXLGKKCJJ-HIFRSBDPSA-N 1 0 308.397 3.125 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000726101509 576006743 /nfs/dbraw/zinc/00/67/43/576006743.db2.gz DWUJZTVNFBATTI-KRWDZBQOSA-N 1 0 317.477 3.481 10 0 DGAERO CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154371686 620666374 /nfs/dbraw/zinc/66/63/74/620666374.db2.gz HJAOPPLHYNAYKI-CQSZACIVSA-N 1 0 311.491 3.460 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000111256616 620689403 /nfs/dbraw/zinc/68/94/03/620689403.db2.gz KWUMQYOXLLTFKO-PSASIEDQSA-N 1 0 312.200 3.290 10 0 DGAERO c1sc(COc2ccccc2)nc1C[NH2+]CC[C@H]1CCCO1 ZINC000113319730 618003245 /nfs/dbraw/zinc/00/32/45/618003245.db2.gz VWFDMACDYOZYJQ-MRXNPFEDSA-N 1 0 318.442 3.381 10 0 DGAERO CNC(=O)c1cnc(C2CC[NH+](CC3CCCCCC3)CC2)o1 ZINC000888103087 618626417 /nfs/dbraw/zinc/62/64/17/618626417.db2.gz FXZPPGLXJLTBLP-UHFFFAOYSA-N 1 0 319.449 3.184 10 0 DGAERO Cc1cc(C)cc([C@H](O)C[N@H+](C)CCC(=O)OC(C)(C)C)c1 ZINC000150899076 620403233 /nfs/dbraw/zinc/40/32/33/620403233.db2.gz FSUVCUBZRKZOLA-MRXNPFEDSA-N 1 0 307.434 3.000 10 0 DGAERO COC(=O)[C@@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000151648047 620467952 /nfs/dbraw/zinc/46/79/52/620467952.db2.gz YRCLCVDWYNDUJL-CYBMUJFWSA-N 1 0 316.426 3.213 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)ccc1F ZINC000153113277 620533832 /nfs/dbraw/zinc/53/38/32/620533832.db2.gz ORQPJCKKZXFICR-WBMJQRKESA-N 1 0 319.376 3.227 10 0 DGAERO CCCCCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115694229 621127766 /nfs/dbraw/zinc/12/77/66/621127766.db2.gz FXHZYUBKNVTYPW-UHFFFAOYSA-N 1 0 309.429 3.267 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000117754828 621444974 /nfs/dbraw/zinc/44/49/74/621444974.db2.gz BUWGXAYBKPDHSZ-SCOAYWHSSA-N 1 0 323.440 3.239 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000129932840 625799803 /nfs/dbraw/zinc/79/98/03/625799803.db2.gz QYXUWNGFRMMZJL-QGZVFWFLSA-N 1 0 318.461 3.466 10 0 DGAERO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)nc2ccccc12 ZINC000130950244 625921605 /nfs/dbraw/zinc/92/16/05/625921605.db2.gz DJAWWKNXWCMGQU-KBPBESRZSA-N 1 0 317.820 3.022 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@H](C(F)(F)F)C2 ZINC000757187426 626754074 /nfs/dbraw/zinc/75/40/74/626754074.db2.gz ZSBOPRBBDJQJHZ-COPLHBTASA-N 1 0 307.356 3.286 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)CSC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000134896480 626891107 /nfs/dbraw/zinc/89/11/07/626891107.db2.gz HWJOIOHVQZKOOE-ZBFHGGJFSA-N 1 0 320.502 3.297 10 0 DGAERO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1 ZINC000886088207 627101267 /nfs/dbraw/zinc/10/12/67/627101267.db2.gz DEBRRYLCUFFBRP-IHRRRGAJSA-N 1 0 305.422 3.193 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)o1 ZINC000886095525 627101873 /nfs/dbraw/zinc/10/18/73/627101873.db2.gz ZBRONBQTCSPKRR-PNPHSEOMSA-N 1 0 317.433 3.367 10 0 DGAERO CC(C)(C)OC(=O)N(CCC[NH2+][C@H]1CCCSC1)C1CC1 ZINC000219465684 627147780 /nfs/dbraw/zinc/14/77/80/627147780.db2.gz KGCALLASZKXXMI-ZDUSSCGKSA-N 1 0 314.495 3.261 10 0 DGAERO CCCCCCNC(=O)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000121561337 631080078 /nfs/dbraw/zinc/08/00/78/631080078.db2.gz NIPNWSAFMXLVST-CYBMUJFWSA-N 1 0 310.413 3.181 10 0 DGAERO CCC[N@H+](C[C@H](O)c1c(F)cccc1F)C[C@H]1CCCCO1 ZINC000106866129 631476907 /nfs/dbraw/zinc/47/69/07/631476907.db2.gz SFKOFICGHBOWAB-CJNGLKHVSA-N 1 0 313.388 3.279 10 0 DGAERO O[C@H](C[N@@H+]1CCCc2ccccc2C1)c1cc(F)ccc1F ZINC000106887084 631481055 /nfs/dbraw/zinc/48/10/55/631481055.db2.gz ODKFZYVUXQMVQZ-GOSISDBHSA-N 1 0 303.352 3.447 10 0 DGAERO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CSC(C)(C)C)C1 ZINC000109112842 632059237 /nfs/dbraw/zinc/05/92/37/632059237.db2.gz RDVWKPWUJBBKFC-CQSZACIVSA-N 1 0 306.475 3.038 10 0 DGAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ccccc2Br)no1 ZINC000109518115 632213508 /nfs/dbraw/zinc/21/35/08/632213508.db2.gz UVOZYDMEULYEHG-LLVKDONJSA-N 1 0 310.195 3.025 10 0 DGAERO C/C(=C\C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000185087385 660201016 /nfs/dbraw/zinc/20/10/16/660201016.db2.gz JSLHLYARWYLKQJ-VOGRQWBCSA-N 1 0 302.462 3.268 10 0 DGAERO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000184987981 660197398 /nfs/dbraw/zinc/19/73/98/660197398.db2.gz JZYUCAXDWXJCAL-CXAGYDPISA-N 1 0 309.417 3.203 10 0 DGAERO CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000186462940 660444989 /nfs/dbraw/zinc/44/49/89/660444989.db2.gz URHFONWAAKMSCR-HOCLYGCPSA-N 1 0 318.417 3.029 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNCc1nc(C)c(Br)s1 ZINC000719214347 662271472 /nfs/dbraw/zinc/27/14/72/662271472.db2.gz BUKJGJJRVJWLCM-SECBINFHSA-N 1 0 320.300 3.034 10 0 DGAERO CC(C)(C)OC(=O)N1CC=C(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000700107350 660612548 /nfs/dbraw/zinc/61/25/48/660612548.db2.gz RJKABXVHNIAOAF-MUJYYYPQSA-N 1 0 306.450 3.189 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccn1 ZINC000700729789 660631694 /nfs/dbraw/zinc/63/16/94/660631694.db2.gz BBNRDIDDAPRIOZ-KCQAQPDRSA-N 1 0 305.422 3.130 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccc(F)cn1 ZINC000700746639 660634322 /nfs/dbraw/zinc/63/43/22/660634322.db2.gz PNKLWXTVXFUTTB-SLEUVZQESA-N 1 0 323.412 3.269 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)C1(Cl)CC1 ZINC000700745789 660634397 /nfs/dbraw/zinc/63/43/97/660634397.db2.gz WXCYAJUSEGOLRB-QJPTWQEYSA-N 1 0 302.846 3.134 10 0 DGAERO C[C@@H](CC[NH2+][C@@H]1CC[C@@H](C)SC1)NC(=O)OC(C)(C)C ZINC000701557942 660672364 /nfs/dbraw/zinc/67/23/64/660672364.db2.gz FVMCDFLCOMFQAS-YNEHKIRRSA-N 1 0 302.484 3.163 10 0 DGAERO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000701918397 660691584 /nfs/dbraw/zinc/69/15/84/660691584.db2.gz FEXNSSANNBPIAR-JHJVBQTASA-N 1 0 302.484 3.116 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000701935034 660692964 /nfs/dbraw/zinc/69/29/64/660692964.db2.gz LZJCKEHSQIVUTA-LLVKDONJSA-N 1 0 304.381 3.021 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1ccccc1)C2 ZINC000701920410 660695605 /nfs/dbraw/zinc/69/56/05/660695605.db2.gz PWVZMZPUYHTDMG-UHFFFAOYSA-N 1 0 302.418 3.176 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000702395700 660721988 /nfs/dbraw/zinc/72/19/88/660721988.db2.gz XSEGBBIAOZNEBK-JHJVBQTASA-N 1 0 305.365 3.222 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccn1 ZINC000703504887 660779774 /nfs/dbraw/zinc/77/97/74/660779774.db2.gz WYACTIQJIZOVSL-OAHLLOKOSA-N 1 0 307.438 3.029 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@H](C)CCCOC)CCN1C(=O)OC(C)(C)C ZINC000704628856 660813905 /nfs/dbraw/zinc/81/39/05/660813905.db2.gz IQOYAYCNMLXWTR-QLFBSQMISA-N 1 0 314.470 3.179 10 0 DGAERO c1ccc(CN2CCC([NH2+]CC[C@H]3CCSC3)CC2)cc1 ZINC000704848675 660822691 /nfs/dbraw/zinc/82/26/91/660822691.db2.gz ZTRCGRKCORSUSU-KRWDZBQOSA-N 1 0 304.503 3.384 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCSC2)C1 ZINC000704892446 660825631 /nfs/dbraw/zinc/82/56/31/660825631.db2.gz VWTWAPKZZVIUJN-KBPBESRZSA-N 1 0 314.495 3.119 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000706513980 660861750 /nfs/dbraw/zinc/86/17/50/660861750.db2.gz VTSLCYYPWIZLST-AGIUHOORSA-N 1 0 318.408 3.267 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000706555184 660864899 /nfs/dbraw/zinc/86/48/99/660864899.db2.gz HTJYTOKDNMSAOT-FRRDWIJNSA-N 1 0 318.408 3.457 10 0 DGAERO CSC1CC([NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000708307363 660919881 /nfs/dbraw/zinc/91/98/81/660919881.db2.gz UXONMVOWDZMDBE-HUUUCTMMSA-N 1 0 301.253 3.389 10 0 DGAERO Fc1cccc2c1SCC[C@H]2[NH2+]CCO[C@H]1CC1(F)F ZINC000709236483 660927729 /nfs/dbraw/zinc/92/77/29/660927729.db2.gz OSUIJSOXJHRUQD-NEPJUHHUSA-N 1 0 303.349 3.376 10 0 DGAERO O=C(CCC1C[NH2+]C1)Nc1ccccc1SC(F)(F)F ZINC000709471841 660928435 /nfs/dbraw/zinc/92/84/35/660928435.db2.gz LVSYTBLSPWJAOD-UHFFFAOYSA-N 1 0 304.337 3.237 10 0 DGAERO C[NH+](C)C1(C)CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000709890779 660930953 /nfs/dbraw/zinc/93/09/53/660930953.db2.gz BWRSQSLSRIZJLY-UHFFFAOYSA-N 1 0 302.249 3.305 10 0 DGAERO Fc1ccc(C[NH2+]CCc2ccns2)c(Br)c1 ZINC000709985750 660931404 /nfs/dbraw/zinc/93/14/04/660931404.db2.gz ZHYOYJLHRHJPTP-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO Cc1ccc(CC[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)o1 ZINC000711457986 660954021 /nfs/dbraw/zinc/95/40/21/660954021.db2.gz XLNGLWOCPRMBRQ-UHFFFAOYSA-N 1 0 308.422 3.023 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2COc3ccccc32)C1 ZINC000711389064 660949431 /nfs/dbraw/zinc/94/94/31/660949431.db2.gz DSBNDOVFXCCMDG-GUTXKFCHSA-N 1 0 318.417 3.013 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711404540 660950049 /nfs/dbraw/zinc/95/00/49/660950049.db2.gz XYCKJCOAGFUXKR-SFHVURJKSA-N 1 0 311.429 3.123 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711404539 660950121 /nfs/dbraw/zinc/95/01/21/660950121.db2.gz XYCKJCOAGFUXKR-GOSISDBHSA-N 1 0 311.429 3.123 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H]2COc3ccccc32)C1 ZINC000711437052 660952277 /nfs/dbraw/zinc/95/22/77/660952277.db2.gz DSBNDOVFXCCMDG-SSDMNJCBSA-N 1 0 318.417 3.013 10 0 DGAERO CC(C)OCC(C)(C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711458648 660954007 /nfs/dbraw/zinc/95/40/07/660954007.db2.gz IVIBYKYYXNDAAR-UHFFFAOYSA-N 1 0 314.470 3.083 10 0 DGAERO COC(C)(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000711834238 660963873 /nfs/dbraw/zinc/96/38/73/660963873.db2.gz VKBJJSPYQSOXIT-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3ccoc3)CCC[C@H]12 ZINC000711620838 660959816 /nfs/dbraw/zinc/95/98/16/660959816.db2.gz XCCMMYIYLOYTDE-WMLDXEAASA-N 1 0 306.406 3.301 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000254956210 655548772 /nfs/dbraw/zinc/54/87/72/655548772.db2.gz MQDVJWKNMSNYHX-SEYXRHQNSA-N 1 0 306.837 3.296 10 0 DGAERO O=C(/C=C\c1ccc(Cl)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000255000444 655557033 /nfs/dbraw/zinc/55/70/33/655557033.db2.gz OCXQRRNZWOTYNQ-HWYHOQROSA-N 1 0 304.821 3.050 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccccc1Cl ZINC000255003353 655557510 /nfs/dbraw/zinc/55/75/10/655557510.db2.gz HKENDTHCTWKWNM-DQOKEGCPSA-N 1 0 304.821 3.048 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000722654035 655561553 /nfs/dbraw/zinc/56/15/53/655561553.db2.gz NKNNHRSJZHKJMK-PSASIEDQSA-N 1 0 312.200 3.441 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C(/C)c1ccc(F)cc1 ZINC000255026325 655563906 /nfs/dbraw/zinc/56/39/06/655563906.db2.gz RGBKGSMWVSIKBF-BHEFUSTPSA-N 1 0 304.409 3.172 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000038103315 655582873 /nfs/dbraw/zinc/58/28/73/655582873.db2.gz VVQXTFFAQQHQOD-LLVKDONJSA-N 1 0 318.248 3.095 10 0 DGAERO FC(F)(F)[C@@H]1CC[C@H](C[NH2+]Cc2csc(C3CC3)n2)O1 ZINC000721429311 655587337 /nfs/dbraw/zinc/58/73/37/655587337.db2.gz YBDLJVQXFXOCJO-MNOVXSKESA-N 1 0 306.353 3.220 10 0 DGAERO c1ccc2c(c1)C[C@H](c1nc(C[C@H]3CCC[NH2+]C3)no1)S2 ZINC000092233936 655693452 /nfs/dbraw/zinc/69/34/52/655693452.db2.gz INHVDQQGXJSKOU-BXUZGUMPSA-N 1 0 301.415 3.001 10 0 DGAERO O=C(/C=C/c1ccc[nH]1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000187581714 655723637 /nfs/dbraw/zinc/72/36/37/655723637.db2.gz ZJRSWNOEKDOZLY-CVTTXWKISA-N 1 0 323.440 3.199 10 0 DGAERO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)c1cc(F)ccc1F ZINC000051314421 655726802 /nfs/dbraw/zinc/72/68/02/655726802.db2.gz HELXAPYYXDYHNI-MRXNPFEDSA-N 1 0 313.294 3.408 10 0 DGAERO Brc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)o1 ZINC000723978739 655732067 /nfs/dbraw/zinc/73/20/67/655732067.db2.gz RZBGWLIXZBFKBK-RISCZKNCSA-N 1 0 314.223 3.337 10 0 DGAERO C[C@](O)(C[NH2+]C[C@@]12C[C@@H]1CCCC2)C(F)(F)C(F)(F)F ZINC000724082384 655741139 /nfs/dbraw/zinc/74/11/39/655741139.db2.gz FTRKHJXRISCKAP-GARJFASQSA-N 1 0 301.299 3.105 10 0 DGAERO CS[C@@H]1CCCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724111162 655742432 /nfs/dbraw/zinc/74/24/32/655742432.db2.gz USWVFUZICZKTPD-NXEZZACHSA-N 1 0 321.355 3.153 10 0 DGAERO C[N@H+](CCc1cccs1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724114205 655743392 /nfs/dbraw/zinc/74/33/92/655743392.db2.gz MEJYMVGTXWXHHO-SNVBAGLBSA-N 1 0 317.323 3.171 10 0 DGAERO COC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000234561318 655744189 /nfs/dbraw/zinc/74/41/89/655744189.db2.gz BLOGRSOYKHVQEP-ZIAGYGMSSA-N 1 0 314.470 3.085 10 0 DGAERO CC[C@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000712471192 661188574 /nfs/dbraw/zinc/18/85/74/661188574.db2.gz QANNRGQIFVSRGF-JQWIXIFHSA-N 1 0 300.244 3.241 10 0 DGAERO Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)c(Br)n1 ZINC000712452312 661188653 /nfs/dbraw/zinc/18/86/53/661188653.db2.gz UZPFDEAOUSKPFJ-OLZOCXBDSA-N 1 0 312.255 3.241 10 0 DGAERO Brc1cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)co1 ZINC000712726784 661189560 /nfs/dbraw/zinc/18/95/60/661189560.db2.gz NUIBHAHKCKKGBE-RSMPGPOFSA-N 1 0 324.178 3.090 10 0 DGAERO Brc1ccsc1CC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000713047856 661189732 /nfs/dbraw/zinc/18/97/32/661189732.db2.gz ZAVZVLDMUIFJDI-CMPLNLGQSA-N 1 0 316.264 3.210 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+]CCc1sccc1Br ZINC000713005149 661189776 /nfs/dbraw/zinc/18/97/76/661189776.db2.gz XAGBGOPTTBTQLL-LLVKDONJSA-N 1 0 306.269 3.050 10 0 DGAERO COCCC[C@@H](C)[NH2+]CCc1sccc1Br ZINC000712994750 661189914 /nfs/dbraw/zinc/18/99/14/661189914.db2.gz HITVXODWZBCRMA-SNVBAGLBSA-N 1 0 306.269 3.458 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713092845 661190276 /nfs/dbraw/zinc/19/02/76/661190276.db2.gz FPXJIBJDLVPNQE-ONGXEEELSA-N 1 0 304.253 3.068 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]CCc1sccc1Br ZINC000713093632 661190305 /nfs/dbraw/zinc/19/03/05/661190305.db2.gz KJZXWCOPXGKYND-SECBINFHSA-N 1 0 306.269 3.456 10 0 DGAERO Cc1ccc(-c2noc(CC[C@@H](C)[NH3+])n2)c(Br)c1 ZINC000235167761 655822741 /nfs/dbraw/zinc/82/27/41/655822741.db2.gz QYZNDIFOJDNIHB-SECBINFHSA-N 1 0 310.195 3.087 10 0 DGAERO C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccc(Cl)cc1Cl ZINC000713365921 661191028 /nfs/dbraw/zinc/19/10/28/661191028.db2.gz RCRQCYUMFWYDGH-NVZXWFNYSA-N 1 0 313.228 3.298 10 0 DGAERO C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccc(Cl)cc1Cl ZINC000713365924 661191106 /nfs/dbraw/zinc/19/11/06/661191106.db2.gz RCRQCYUMFWYDGH-VKQTUNLWSA-N 1 0 313.228 3.298 10 0 DGAERO COC[C@H](C)CNc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000187590297 655846972 /nfs/dbraw/zinc/84/69/72/655846972.db2.gz KOTASDWAVZRTHY-CQSZACIVSA-N 1 0 323.456 3.051 10 0 DGAERO COCC1CC([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000713914950 661194422 /nfs/dbraw/zinc/19/44/22/661194422.db2.gz BWCMRQHUROUWFQ-QKFMDRJYSA-N 1 0 310.235 3.451 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000721570970 655851401 /nfs/dbraw/zinc/85/14/01/655851401.db2.gz PERRJNVHTLQMRN-MGPQQGTHSA-N 1 0 314.470 3.083 10 0 DGAERO COCC1CC([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000713943747 661194942 /nfs/dbraw/zinc/19/49/42/661194942.db2.gz BROQJXKACRFADT-AJQRCPHMSA-N 1 0 324.262 3.321 10 0 DGAERO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cn(C)nc2Br)C1 ZINC000713859877 661195012 /nfs/dbraw/zinc/19/50/12/661195012.db2.gz PGMNHNVBNNKIPF-GMTAPVOTSA-N 1 0 300.244 3.049 10 0 DGAERO CN(CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000721590961 655860951 /nfs/dbraw/zinc/86/09/51/655860951.db2.gz ZHGCUVCGDVPRJS-ROUUACIJSA-N 1 0 304.478 3.302 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000309687517 655875788 /nfs/dbraw/zinc/87/57/88/655875788.db2.gz QEKPSSVYYIERGH-PLNGDYQASA-N 1 0 315.417 3.338 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc(Cl)c1Cl ZINC000714250677 661198211 /nfs/dbraw/zinc/19/82/11/661198211.db2.gz PDBGHEJRSBIRFJ-GUBZILKMSA-N 1 0 322.257 3.220 10 0 DGAERO CSc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1 ZINC000714363663 661198695 /nfs/dbraw/zinc/19/86/95/661198695.db2.gz AEUVOHQGXJVPBM-DOMZBBRYSA-N 1 0 313.488 3.026 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Cl)c(F)c1 ZINC000714365386 661199129 /nfs/dbraw/zinc/19/91/29/661199129.db2.gz LNSZGINXOZZUPE-CMPLNLGQSA-N 1 0 319.829 3.097 10 0 DGAERO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000179346636 655889603 /nfs/dbraw/zinc/88/96/03/655889603.db2.gz ZEWABDIIOFYODI-BBRMVZONSA-N 1 0 311.385 3.272 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000714445027 661200755 /nfs/dbraw/zinc/20/07/55/661200755.db2.gz XIPFNRAGGPSAJH-WVSHTKLVSA-N 1 0 305.752 3.456 10 0 DGAERO C[C@H](C[NH3+])c1noc(-c2ccc(Cl)cc2Br)n1 ZINC000235454065 655907913 /nfs/dbraw/zinc/90/79/13/655907913.db2.gz NGIQEUAHMLDPRW-ZCFIWIBFSA-N 1 0 316.586 3.215 10 0 DGAERO C[C@H](C[NH3+])c1noc(-c2ccc(Cl)c(Br)c2)n1 ZINC000235454033 655907967 /nfs/dbraw/zinc/90/79/67/655907967.db2.gz OSGFLRBHAZRWAG-ZCFIWIBFSA-N 1 0 316.586 3.215 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000714682280 661202439 /nfs/dbraw/zinc/20/24/39/661202439.db2.gz MYUXOEOWRVOMLR-CZMCAQCFSA-N 1 0 320.177 3.242 10 0 DGAERO CC[C@H](CO)[N@H+](C/C(C)=C\c1ccco1)Cc1ccccn1 ZINC000096767007 655964020 /nfs/dbraw/zinc/96/40/20/655964020.db2.gz RPLNOPIYEIDWIA-JBXOJTMHSA-N 1 0 300.402 3.351 10 0 DGAERO CN(CCC[NH2+]C[C@@]1(C)CCCS1)C(=O)OC(C)(C)C ZINC000327673266 655971567 /nfs/dbraw/zinc/97/15/67/655971567.db2.gz AERIXPGXVDRTNO-OAHLLOKOSA-N 1 0 302.484 3.119 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000311714795 656011819 /nfs/dbraw/zinc/01/18/19/656011819.db2.gz WRTGYTVPGSPFOJ-KGLIPLIRSA-N 1 0 323.437 3.217 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC[C@@H]2CCCS2)C1 ZINC000715633678 661213303 /nfs/dbraw/zinc/21/33/03/661213303.db2.gz FFNKSTUSPGCJBW-RUXDESIVSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)c1ccns1 ZINC000716018999 661216788 /nfs/dbraw/zinc/21/67/88/661216788.db2.gz GFRKTALHSJUUTK-LLVKDONJSA-N 1 0 313.467 3.487 10 0 DGAERO Cc1ccnc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000328164230 656055750 /nfs/dbraw/zinc/05/57/50/656055750.db2.gz ITPZHXGYUPUNIM-ZBFHGGJFSA-N 1 0 319.449 3.125 10 0 DGAERO O[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)c1cccc(F)c1 ZINC000716286816 661221135 /nfs/dbraw/zinc/22/11/35/661221135.db2.gz WLTDFPGRBLFPCR-CTWPCTMYSA-N 1 0 315.388 3.197 10 0 DGAERO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO1 ZINC000309875944 656092747 /nfs/dbraw/zinc/09/27/47/656092747.db2.gz VVUOZTXOQSSDIL-KFWWJZLASA-N 1 0 314.470 3.035 10 0 DGAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CSC(C)(C)C ZINC000182092753 656102506 /nfs/dbraw/zinc/10/25/06/656102506.db2.gz HUVVOSLGPKKELC-CQSZACIVSA-N 1 0 308.491 3.155 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1 ZINC000182676918 656107441 /nfs/dbraw/zinc/10/74/41/656107441.db2.gz OXGXUOZUMAQMGL-IFXJQAMLSA-N 1 0 317.404 3.435 10 0 DGAERO COc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cc1F ZINC000309675875 656113819 /nfs/dbraw/zinc/11/38/19/656113819.db2.gz PZHAPXPYVANMQX-WAYWQWQTSA-N 1 0 324.396 3.005 10 0 DGAERO COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183908079 656115956 /nfs/dbraw/zinc/11/59/56/656115956.db2.gz YTWYJHFGXQUBCU-ZBFHGGJFSA-N 1 0 305.418 3.231 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716658860 661226287 /nfs/dbraw/zinc/22/62/87/661226287.db2.gz KNXJBKZOMCDGAP-RIQILIMLSA-N 1 0 308.466 3.124 10 0 DGAERO C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000716603776 661227139 /nfs/dbraw/zinc/22/71/39/661227139.db2.gz GUJVUQBEWSCHBD-SECBINFHSA-N 1 0 301.217 3.111 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCCSC1 ZINC000310001239 656129659 /nfs/dbraw/zinc/12/96/59/656129659.db2.gz QIIVGYNYRCKIOM-UONOGXRCSA-N 1 0 314.495 3.119 10 0 DGAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000716704260 661227634 /nfs/dbraw/zinc/22/76/34/661227634.db2.gz BSGHQUVLJPYNPH-RWBZWWBESA-N 1 0 324.424 3.180 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000716887496 661230133 /nfs/dbraw/zinc/23/01/33/661230133.db2.gz RZTDJNSAZPVYMX-JFGNBEQYSA-N 1 0 301.228 3.044 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)ccc1F ZINC000716884049 661230173 /nfs/dbraw/zinc/23/01/73/661230173.db2.gz HHSSPDHUCXMSPC-JOYOIKCWSA-N 1 0 304.203 3.227 10 0 DGAERO [NH3+][C@@H]1CN(C[C@H]2CCCCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000717125910 661250560 /nfs/dbraw/zinc/25/05/60/661250560.db2.gz JNGHMKCDZDVEFG-OUAUKWLOSA-N 1 0 300.315 3.023 10 0 DGAERO [NH3+][C@@H]1CN(c2nc3ccccc3s2)CC[C@@H]1C(F)(F)F ZINC000717088891 661247370 /nfs/dbraw/zinc/24/73/70/661247370.db2.gz FOQWKBKGPMOFCN-DTWKUNHWSA-N 1 0 301.337 3.012 10 0 DGAERO CSc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000717153008 661255746 /nfs/dbraw/zinc/25/57/46/661255746.db2.gz SDVJLLAXLUDNEZ-OLZOCXBDSA-N 1 0 304.381 3.120 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717154012 661255779 /nfs/dbraw/zinc/25/57/79/661255779.db2.gz OJQJMGUFVMOGDN-UPJWGTAASA-N 1 0 318.408 3.267 10 0 DGAERO CC1(C)CO[C@@H](CC[NH2+]Cc2cncc(Br)c2)C1 ZINC000717325133 661261972 /nfs/dbraw/zinc/26/19/72/661261972.db2.gz CMEBBPODRVBJOI-ZDUSSCGKSA-N 1 0 313.239 3.139 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723630288 656496675 /nfs/dbraw/zinc/49/66/75/656496675.db2.gz YGYWLEJUCNYBPK-XGXHKWSGSA-N 1 0 303.446 3.387 10 0 DGAERO CC[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000723950820 656504974 /nfs/dbraw/zinc/50/49/74/656504974.db2.gz KGMAGNUQWCYFDW-ICSRJNTNSA-N 1 0 316.489 3.446 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000724025151 656505236 /nfs/dbraw/zinc/50/52/36/656505236.db2.gz DKTYEXBGWKOYIP-KGLIPLIRSA-N 1 0 323.437 3.074 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@H]2CSC2(C)C)C1 ZINC000724036711 656505367 /nfs/dbraw/zinc/50/53/67/656505367.db2.gz AQZNRRQPPFUJKU-AGIUHOORSA-N 1 0 314.495 3.163 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000724912747 656529844 /nfs/dbraw/zinc/52/98/44/656529844.db2.gz JFKPVFXVFWOTHN-SKINQDTJSA-N 1 0 309.409 3.269 10 0 DGAERO C[C@H](NCc1cc(Br)ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000722376629 656614935 /nfs/dbraw/zinc/61/49/35/656614935.db2.gz JAQRMWDZMDUDCN-UWVGGRQHSA-N 1 0 317.658 3.190 10 0 DGAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000178531173 656652964 /nfs/dbraw/zinc/65/29/64/656652964.db2.gz LKOCRCYDAIEUOK-DOTOQJQBSA-N 1 0 319.445 3.000 10 0 DGAERO Cc1nc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000178745224 657036598 /nfs/dbraw/zinc/03/65/98/657036598.db2.gz NKZFEDSTYBUFAH-OAHLLOKOSA-N 1 0 316.426 3.191 10 0 DGAERO Cc1oc2ccccc2c1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261724398 657053602 /nfs/dbraw/zinc/05/36/02/657053602.db2.gz NRYNSAYPHQXXDA-GOSISDBHSA-N 1 0 307.397 3.283 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000306541677 657316208 /nfs/dbraw/zinc/31/62/08/657316208.db2.gz QANOTJKSZQEOFM-JKSUJKDBSA-N 1 0 304.434 3.470 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000249685527 657419230 /nfs/dbraw/zinc/41/92/30/657419230.db2.gz GOHIPVCYTFTALI-DAXOMENPSA-N 1 0 301.386 3.235 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCSc2ccccc21 ZINC000250872229 657495308 /nfs/dbraw/zinc/49/53/08/657495308.db2.gz ZWTGINPQPGXQML-YDHLFZDLSA-N 1 0 304.459 3.105 10 0 DGAERO CCc1nc2sc(C)cc2c(NCC[NH+]2CCCCC2)n1 ZINC000096205029 657512790 /nfs/dbraw/zinc/51/27/90/657512790.db2.gz JXBBMQHVXZXDBJ-UHFFFAOYSA-N 1 0 304.463 3.460 10 0 DGAERO Cc1cc2c(nc(-c3ccccc3)nc2N2CC[NH+](C)CC2)s1 ZINC000096204472 657512988 /nfs/dbraw/zinc/51/29/88/657512988.db2.gz OFCCFOVYLYRZOI-UHFFFAOYSA-N 1 0 324.453 3.419 10 0 DGAERO CC[C@H]1CN(Cc2cccc(F)c2Br)CC[C@H]1[NH3+] ZINC000251835098 657539319 /nfs/dbraw/zinc/53/93/19/657539319.db2.gz QGKUFONNBNZBHD-GXFFZTMASA-N 1 0 315.230 3.147 10 0 DGAERO C/C=C(/C)C[NH+]1CCC(n2nccc2NC(=O)CC(C)C)CC1 ZINC000096835092 657557951 /nfs/dbraw/zinc/55/79/51/657557951.db2.gz XYQZICXMVFPIMJ-WCSRMQSCSA-N 1 0 318.465 3.471 10 0 DGAERO COc1ccc(C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000304262689 657616087 /nfs/dbraw/zinc/61/60/87/657616087.db2.gz JISJIUBBMVXRCQ-CQSZACIVSA-N 1 0 322.449 3.349 10 0 DGAERO C[S@](=O)C1(C[NH2+]CCc2cc(Cl)cc(Cl)c2)CCC1 ZINC000722100517 657630911 /nfs/dbraw/zinc/63/09/11/657630911.db2.gz RBQRRDOKUPWCED-IBGZPJMESA-N 1 0 320.285 3.427 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](c2nc(CSc3ccc(F)cc3)no2)C1 ZINC000097329134 657631940 /nfs/dbraw/zinc/63/19/40/657631940.db2.gz HZIKTFFTDQXGOF-CMPLNLGQSA-N 1 0 307.394 3.486 10 0 DGAERO CSc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)cc1 ZINC000720408800 657697024 /nfs/dbraw/zinc/69/70/24/657697024.db2.gz DIZIBKFJESJITO-CVEARBPZSA-N 1 0 308.516 3.078 10 0 DGAERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccc(Br)s1 ZINC000720430940 657706499 /nfs/dbraw/zinc/70/64/99/657706499.db2.gz YAMHJOKRRINQNP-NEPJUHHUSA-N 1 0 315.280 3.179 10 0 DGAERO Clc1ccsc1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000720471532 657755867 /nfs/dbraw/zinc/75/58/67/657755867.db2.gz IQUXVMHOSBKDHF-NWDGAFQWSA-N 1 0 302.896 3.071 10 0 DGAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000262901597 658060623 /nfs/dbraw/zinc/06/06/23/658060623.db2.gz DQKMNCDPFQFNJI-VQIMIIECSA-N 1 0 316.445 3.142 10 0 DGAERO C[C@H]([NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[C@H]1C ZINC000321175388 658091748 /nfs/dbraw/zinc/09/17/48/658091748.db2.gz YWUOJDTYWJSRPV-QPSCCSFWSA-N 1 0 308.466 3.410 10 0 DGAERO CC1(C)CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1[NH3+] ZINC000720773418 658118567 /nfs/dbraw/zinc/11/85/67/658118567.db2.gz DDDDCZSHWVBHIP-NSHDSACASA-N 1 0 302.205 3.194 10 0 DGAERO C[NH2+]CCN(C(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000720795423 658120840 /nfs/dbraw/zinc/12/08/40/658120840.db2.gz AGSLCKGOVQXUAJ-UHFFFAOYSA-N 1 0 304.221 3.455 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@@H]1C(F)(F)F ZINC000720844260 658148386 /nfs/dbraw/zinc/14/83/86/658148386.db2.gz LJSNBHIBBFSAKJ-KOLCDFICSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000720878785 658155162 /nfs/dbraw/zinc/15/51/62/658155162.db2.gz UBVFAGHVBNOIIL-SKDRFNHKSA-N 1 0 310.722 3.048 10 0 DGAERO CC1(C[NH2+]Cc2cncc(Br)c2)CC(F)(F)C1 ZINC000720938421 658236936 /nfs/dbraw/zinc/23/69/36/658236936.db2.gz XQGUDCFLLZAJND-UHFFFAOYSA-N 1 0 305.166 3.369 10 0 DGAERO C[C@H]([NH2+]CC1(C)CC(F)(F)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000720927789 658237033 /nfs/dbraw/zinc/23/70/33/658237033.db2.gz LXBYKVUYOSTQSC-NSHDSACASA-N 1 0 318.408 3.267 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)CC1 ZINC000179136611 658334308 /nfs/dbraw/zinc/33/43/08/658334308.db2.gz HKCFAUDRHQZCOS-UHFFFAOYSA-N 1 0 317.477 3.434 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1cccnc1 ZINC000721042333 658412885 /nfs/dbraw/zinc/41/28/85/658412885.db2.gz QVYHEWQSGDANDU-GDBMZVCRSA-N 1 0 319.449 3.064 10 0 DGAERO CC[C@](C)(C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)OC ZINC000322620985 658549877 /nfs/dbraw/zinc/54/98/77/658549877.db2.gz NOYWHQWXTXKZSR-JJRVBVJISA-N 1 0 314.470 3.037 10 0 DGAERO CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000721215418 658686273 /nfs/dbraw/zinc/68/62/73/658686273.db2.gz PMNPBRRKOMDYGL-APIJFGDWSA-N 1 0 314.470 3.225 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2csc(N)n2)C[C@@H]1OCc1ccccc1 ZINC000721335414 658726908 /nfs/dbraw/zinc/72/69/08/658726908.db2.gz HNLNKDNFLHUADX-CABCVRRESA-N 1 0 317.458 3.199 10 0 DGAERO CC(=O)CCCCCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000164277251 658923502 /nfs/dbraw/zinc/92/35/02/658923502.db2.gz NDQSZDKMNJGUDA-UHFFFAOYSA-N 1 0 322.493 3.250 10 0 DGAERO CC(=O)CCCCCCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000164765881 658946519 /nfs/dbraw/zinc/94/65/19/658946519.db2.gz DEPDRAQKROCDCE-UHFFFAOYSA-N 1 0 310.482 3.153 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000722591321 658978622 /nfs/dbraw/zinc/97/86/22/658978622.db2.gz LYOGGLZIMGQWKT-NXEZZACHSA-N 1 0 300.374 3.185 10 0 DGAERO CCOCc1nc(Cl)cc(NCC[NH+](C(C)C)C(C)C)n1 ZINC000129704301 659022526 /nfs/dbraw/zinc/02/25/26/659022526.db2.gz CJYPVNSHANXPLR-UHFFFAOYSA-N 1 0 314.861 3.197 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1ccccn1 ZINC000224959909 659036358 /nfs/dbraw/zinc/03/63/58/659036358.db2.gz WQDDJDDWMACUDA-DZKIICNBSA-N 1 0 319.449 3.426 10 0 DGAERO FC(F)(F)c1cc(Cl)nc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000225811140 659082819 /nfs/dbraw/zinc/08/28/19/659082819.db2.gz JUASJHCLORFUML-SECBINFHSA-N 1 0 305.731 3.402 10 0 DGAERO CCc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1 ZINC000227753177 659162772 /nfs/dbraw/zinc/16/27/72/659162772.db2.gz JOXHMEJSEXSUMX-VOTSOKGWSA-N 1 0 304.434 3.420 10 0 DGAERO Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1 ZINC000227757431 659163232 /nfs/dbraw/zinc/16/32/32/659163232.db2.gz SBCWXYOVQPAUSU-VOTSOKGWSA-N 1 0 304.434 3.474 10 0 DGAERO Cc1cccnc1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000229095073 659236237 /nfs/dbraw/zinc/23/62/37/659236237.db2.gz AYMMNCKAJXBMAC-LSDHHAIUSA-N 1 0 319.449 3.173 10 0 DGAERO CN(c1ccccc1)C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000170777359 659236456 /nfs/dbraw/zinc/23/64/56/659236456.db2.gz ITWIGFIZNFBENV-NRFANRHFSA-N 1 0 324.468 3.495 10 0 DGAERO CCN(c1ccc(NC(=O)NCC[N@H+](C)C(C)C)cc1)C(C)C ZINC000171248455 659269935 /nfs/dbraw/zinc/26/99/35/659269935.db2.gz NUPSOHKTKRZNSW-UHFFFAOYSA-N 1 0 320.481 3.383 10 0 DGAERO CSCCC(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000171492330 659283879 /nfs/dbraw/zinc/28/38/79/659283879.db2.gz NLWCTLPTCTUFAU-UHFFFAOYSA-N 1 0 323.458 3.210 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CCc3ccccc32)C1 ZINC000229837748 659285699 /nfs/dbraw/zinc/28/56/99/659285699.db2.gz XHNLAPDISGGSCF-XUJLQICISA-N 1 0 302.418 3.319 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]Cc2ccccn2)C1 ZINC000230161402 659315313 /nfs/dbraw/zinc/31/53/13/659315313.db2.gz ZLDBNTCBXAOVSW-SFHVURJKSA-N 1 0 319.449 3.208 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCOC1 ZINC000230259848 659321990 /nfs/dbraw/zinc/32/19/90/659321990.db2.gz SLFIFPQSLRSKGD-GDBMZVCRSA-N 1 0 318.417 3.399 10 0 DGAERO COC1CC([NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000230675171 659345835 /nfs/dbraw/zinc/34/58/35/659345835.db2.gz XGYYECKZMUFSKM-MFAVDMRSSA-N 1 0 302.187 3.416 10 0 DGAERO Cc1nn(C)c(Cl)c1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000173841975 659403143 /nfs/dbraw/zinc/40/31/43/659403143.db2.gz GAFVSOBCYIWHKV-AWEZNQCLSA-N 1 0 311.857 3.306 10 0 DGAERO Cc1cc(C)cc([C@@H](O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000173949248 659406179 /nfs/dbraw/zinc/40/61/79/659406179.db2.gz NMZZAZNRFBLSOU-OALUTQOASA-N 1 0 304.478 3.143 10 0 DGAERO CC(C)[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)CCS1 ZINC000174338685 659427795 /nfs/dbraw/zinc/42/77/95/659427795.db2.gz WQGVCNHFVKFXJY-GJZGRUSLSA-N 1 0 301.402 3.072 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CCSc2ccccc21 ZINC000232946986 659913278 /nfs/dbraw/zinc/91/32/78/659913278.db2.gz QEMQBJKPVYHYOH-ZFWWWQNUSA-N 1 0 304.459 3.118 10 0 DGAERO C[C@@H]1CSCC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000179613082 659935767 /nfs/dbraw/zinc/93/57/67/659935767.db2.gz GIJSTGSFRYJRHY-RISCZKNCSA-N 1 0 310.850 3.270 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000237944030 659949719 /nfs/dbraw/zinc/94/97/19/659949719.db2.gz XFLXGCMNNKRRQA-QRVBRYPASA-N 1 0 308.425 3.214 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccnc2Cl)cc1F ZINC000181369804 659996494 /nfs/dbraw/zinc/99/64/94/659996494.db2.gz QAJIKNIQGOWUBM-LLVKDONJSA-N 1 0 321.783 3.472 10 0 DGAERO C[C@@H]([NH2+]Cc1cnc(Cl)s1)c1ccc(-n2ccnn2)cc1 ZINC000182030452 660031093 /nfs/dbraw/zinc/03/10/93/660031093.db2.gz BHOYDGWKYQTNCL-SNVBAGLBSA-N 1 0 319.821 3.228 10 0 DGAERO CSCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182199495 660037857 /nfs/dbraw/zinc/03/78/57/660037857.db2.gz QKUPRENMKPDVPK-CABCVRRESA-N 1 0 315.527 3.034 10 0 DGAERO Cc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2ccccc2)c1O ZINC000182218665 660038789 /nfs/dbraw/zinc/03/87/89/660038789.db2.gz MBGIDOJLYYBMOB-QGZVFWFLSA-N 1 0 305.805 3.351 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000070573910 660066157 /nfs/dbraw/zinc/06/61/57/660066157.db2.gz HNGJKCFKOGVKRH-AAEUAGOBSA-N 1 0 315.244 3.170 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](CN3CCSC3=S)C2)c1 ZINC000182795532 660081098 /nfs/dbraw/zinc/08/10/98/660081098.db2.gz YUISDXFGTLQDEH-AWEZNQCLSA-N 1 0 306.500 3.384 10 0 DGAERO O=C(CCc1ccncc1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183194824 660104007 /nfs/dbraw/zinc/10/40/07/660104007.db2.gz WLBKFWAVHQENFU-LJQANCHMSA-N 1 0 324.424 3.222 10 0 DGAERO N#Cc1cccc(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000183188262 660104074 /nfs/dbraw/zinc/10/40/74/660104074.db2.gz JPEDQCPRAMURRD-LJQANCHMSA-N 1 0 320.392 3.380 10 0 DGAERO [NH3+]CCOc1ccc(NC(=O)C[C@H]2CCCc3ccccc32)cc1 ZINC000183278235 660107331 /nfs/dbraw/zinc/10/73/31/660107331.db2.gz BHSRQGCJLSRVOV-MRXNPFEDSA-N 1 0 324.424 3.473 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]CCC1(C)OCCO1)CCCO2 ZINC000183900787 660146413 /nfs/dbraw/zinc/14/64/13/660146413.db2.gz MFPXIPSVXJXEAB-INIZCTEOSA-N 1 0 305.418 3.260 10 0 DGAERO COC[C@H](C)CNc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000187529594 661796084 /nfs/dbraw/zinc/79/60/84/661796084.db2.gz CLZUNPZZACAGNF-OAHLLOKOSA-N 1 0 306.450 3.164 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000040227669 661831633 /nfs/dbraw/zinc/83/16/33/661831633.db2.gz SCDBSCUFXVLBQW-XHDPSFHLSA-N 1 0 310.235 3.453 10 0 DGAERO C[NH2+]C[C@@H]1CCCCN1Cc1ccc(Br)s1 ZINC000042407722 661840257 /nfs/dbraw/zinc/84/02/57/661840257.db2.gz KISLURVZQXLDGR-JTQLQIEISA-N 1 0 303.269 3.085 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCOc2ccccc21)c1ccccc1Cl ZINC000048331154 661889105 /nfs/dbraw/zinc/88/91/05/661889105.db2.gz UAHMLOUDWBEPNQ-HOTGVXAUSA-N 1 0 303.789 3.487 10 0 DGAERO Cc1cc(C)cc([C@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000075752658 661945998 /nfs/dbraw/zinc/94/59/98/661945998.db2.gz FJFVVQGRKROBFJ-HXUWFJFHSA-N 1 0 316.489 3.287 10 0 DGAERO COc1ccc(CCC[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1 ZINC000075827505 661950859 /nfs/dbraw/zinc/95/08/59/661950859.db2.gz HBBMFIGDMFZYPY-HXUWFJFHSA-N 1 0 313.441 3.467 10 0 DGAERO CC[C@@H]1CC(=O)N(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000189805861 661992395 /nfs/dbraw/zinc/99/23/95/661992395.db2.gz WFRIWZWOLSDSHS-NEPJUHHUSA-N 1 0 306.372 3.113 10 0 DGAERO C[C@@H]([NH2+]CCCCCCCO)c1cccc(-n2ccnc2)c1 ZINC000189914188 661996911 /nfs/dbraw/zinc/99/69/11/661996911.db2.gz KRGCZFOFQROGOS-MRXNPFEDSA-N 1 0 301.434 3.466 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)O1 ZINC000190254427 662024882 /nfs/dbraw/zinc/02/48/82/662024882.db2.gz GXMUNPVHAFAZBG-OAHLLOKOSA-N 1 0 305.418 3.379 10 0 DGAERO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@H](C)CC3CC3)C2=O)c(C)c1 ZINC000190967388 662050441 /nfs/dbraw/zinc/05/04/41/662050441.db2.gz JJTGPRIEVRBHTI-NVXWUHKLSA-N 1 0 300.446 3.495 10 0 DGAERO CSC1(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000191278313 662058273 /nfs/dbraw/zinc/05/82/73/662058273.db2.gz YKZHRSBYXRJVQD-OAHLLOKOSA-N 1 0 305.443 3.090 10 0 DGAERO COc1ccc2c(c1)C[N@@H+](C[C@H](O)c1ccccc1Cl)CC2 ZINC000193548326 662138413 /nfs/dbraw/zinc/13/84/13/662138413.db2.gz LXGDUBQFNYPRHZ-SFHVURJKSA-N 1 0 317.816 3.440 10 0 DGAERO CC(C)[NH+](CCCNS(=O)(=O)/C=C/c1ccccc1)C(C)C ZINC000081186570 662162468 /nfs/dbraw/zinc/16/24/68/662162468.db2.gz TUGDWIUPYZBIMP-SDNWHVSQSA-N 1 0 324.490 3.086 10 0 DGAERO c1ccc(CN2CCCC[C@H]2C[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000194295495 662162850 /nfs/dbraw/zinc/16/28/50/662162850.db2.gz CNQAMEZBAKZYOA-OALUTQOASA-N 1 0 300.446 3.323 10 0 DGAERO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(C(F)(F)F)s1 ZINC000717905373 662197169 /nfs/dbraw/zinc/19/71/69/662197169.db2.gz MJGYEHLVGFXPLM-VIFPVBQESA-N 1 0 303.353 3.394 10 0 DGAERO CO[C@]1(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)s2)CCOC1 ZINC000717934382 662206948 /nfs/dbraw/zinc/20/69/48/662206948.db2.gz DNSDVOSKEYZHDY-CABZTGNLSA-N 1 0 309.353 3.223 10 0 DGAERO COCCOCCC[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717941551 662211231 /nfs/dbraw/zinc/21/12/31/662211231.db2.gz DDXMUWZLDPLHHN-SNVBAGLBSA-N 1 0 311.369 3.471 10 0 DGAERO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(C(F)(F)F)s1 ZINC000717955536 662212863 /nfs/dbraw/zinc/21/28/63/662212863.db2.gz GZXFOULZMHIWED-YLVJLNSGSA-N 1 0 311.394 3.329 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(C(F)(F)F)s1 ZINC000717999129 662213265 /nfs/dbraw/zinc/21/32/65/662213265.db2.gz FBGPAOIQVBCFEW-FSPLSTOPSA-N 1 0 307.259 3.341 10 0 DGAERO C[C@H]([NH2+]CCc1cncn1C)c1ccc(C(F)(F)F)s1 ZINC000718012963 662214205 /nfs/dbraw/zinc/21/42/05/662214205.db2.gz HLQZYMNDLHZOAH-VIFPVBQESA-N 1 0 303.353 3.394 10 0 DGAERO Cc1coc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000718033103 662215186 /nfs/dbraw/zinc/21/51/86/662215186.db2.gz YZXCJXMWNABMAJ-KBPBESRZSA-N 1 0 308.422 3.466 10 0 DGAERO CCCn1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000245742552 662240260 /nfs/dbraw/zinc/24/02/60/662240260.db2.gz MBBONDUZJRHTKT-RTBURBONSA-N 1 0 313.445 3.381 10 0 DGAERO CN(CC[N@H+](C)C[C@@H](O)c1cc(F)ccc1F)c1ccccc1 ZINC000245947704 662245090 /nfs/dbraw/zinc/24/50/90/662245090.db2.gz XMLLFIRQHLWZJM-GOSISDBHSA-N 1 0 320.383 3.066 10 0 DGAERO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cnc(Cl)s1)CC2 ZINC000718199274 662249582 /nfs/dbraw/zinc/24/95/82/662249582.db2.gz BUSINRXNOWMYNU-LBPRGKRZSA-N 1 0 308.834 3.452 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000246273209 662252206 /nfs/dbraw/zinc/25/22/06/662252206.db2.gz MABQJWVGNBQECE-NXHRZFHOSA-N 1 0 312.388 3.159 10 0 DGAERO COCC(C)(C)CC[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000718709906 662260196 /nfs/dbraw/zinc/26/01/96/662260196.db2.gz RVZOUHLWTZFEKQ-WMZOPIPTSA-N 1 0 304.478 3.302 10 0 DGAERO CCN(CC[NH2+][C@H]1CCC[C@@H](OC)CC1)C(=O)OC(C)(C)C ZINC000718737183 662261011 /nfs/dbraw/zinc/26/10/11/662261011.db2.gz TULFYYKNFAPFGA-LSDHHAIUSA-N 1 0 314.470 3.181 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000718823702 662262045 /nfs/dbraw/zinc/26/20/45/662262045.db2.gz ISKJQBQQMDVOKH-QLFBSQMISA-N 1 0 314.470 3.179 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000718823705 662262095 /nfs/dbraw/zinc/26/20/95/662262095.db2.gz ISKJQBQQMDVOKH-RBSFLKMASA-N 1 0 314.470 3.179 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000718843276 662263130 /nfs/dbraw/zinc/26/31/30/662263130.db2.gz RZUDXLQNLCUVIY-GBESFXJTSA-N 1 0 302.462 3.198 10 0 DGAERO Cc1nc(C[NH2+]CCC[C@H]2CCOC2)sc1Br ZINC000719311300 662273322 /nfs/dbraw/zinc/27/33/22/662273322.db2.gz IPHVQYVVAXTLRQ-JTQLQIEISA-N 1 0 319.268 3.120 10 0 DGAERO Cc1ccc(CC[NH2+]Cc2nc(C)c(Br)s2)o1 ZINC000719317657 662273754 /nfs/dbraw/zinc/27/37/54/662273754.db2.gz ODNMGCLEKABMLJ-UHFFFAOYSA-N 1 0 315.236 3.448 10 0 DGAERO CO[C@@]1(C[NH2+][C@H](C)c2cnc3ccsc3c2)CCSC1 ZINC000719323468 662273944 /nfs/dbraw/zinc/27/39/44/662273944.db2.gz JZUHAQQQACAPTD-IAQYHMDHSA-N 1 0 308.472 3.469 10 0 DGAERO CO[C@]1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CCSC1 ZINC000719323896 662273963 /nfs/dbraw/zinc/27/39/63/662273963.db2.gz LICQKAWSFSGCEQ-ZDUSSCGKSA-N 1 0 305.365 3.317 10 0 DGAERO CSCCCC[NH2+]Cc1nc(C)c(Br)s1 ZINC000719322026 662274008 /nfs/dbraw/zinc/27/40/08/662274008.db2.gz MQEZQYWNVPIIPQ-UHFFFAOYSA-N 1 0 309.298 3.447 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c(C)c1Br ZINC000719565864 662292526 /nfs/dbraw/zinc/29/25/26/662292526.db2.gz QJKAXPNHWAGWOX-JSGCOSHPSA-N 1 0 312.251 3.317 10 0 DGAERO Cc1ccc(C[NH2+]CCc2cnccn2)c(C)c1Br ZINC000719574511 662292912 /nfs/dbraw/zinc/29/29/12/662292912.db2.gz YNMVXEICHDXSMN-UHFFFAOYSA-N 1 0 320.234 3.188 10 0 DGAERO C[NH2+]CCCCc1nc(-c2ccc(C)c(Br)c2)no1 ZINC000719709852 662297094 /nfs/dbraw/zinc/29/70/94/662297094.db2.gz HINLSRSSQSDAAH-UHFFFAOYSA-N 1 0 324.222 3.350 10 0 DGAERO C[C@@H]1C[N@H+](CC2(O)CCCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000247059684 662298830 /nfs/dbraw/zinc/29/88/30/662298830.db2.gz WBIBOAAHRYXMKV-PBHICJAKSA-N 1 0 307.409 3.283 10 0 DGAERO Cc1csc([C@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)n1 ZINC000720268894 662307637 /nfs/dbraw/zinc/30/76/37/662307637.db2.gz TVLAXASVRMSITL-ZETCQYMHSA-N 1 0 304.284 3.274 10 0 DGAERO C[C@@H]1CC[C@H](C(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000248170079 662336257 /nfs/dbraw/zinc/33/62/57/662336257.db2.gz JBOZZIFXXPNLPL-BPQIPLTHSA-N 1 0 317.429 3.009 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000248506310 662350091 /nfs/dbraw/zinc/35/00/91/662350091.db2.gz WQMPKERKKGROMN-QBPKDAKJSA-N 1 0 307.434 3.230 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000248654333 662356563 /nfs/dbraw/zinc/35/65/63/662356563.db2.gz PLDSPHRGJSDNTO-UKBAYJJMSA-N 1 0 321.461 3.015 10 0 DGAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000248675233 662357135 /nfs/dbraw/zinc/35/71/35/662357135.db2.gz COCYVDCIELGGDJ-SFTDATJTSA-N 1 0 323.436 3.468 10 0 DGAERO Brc1cscc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527740937 685269807 /nfs/dbraw/zinc/26/98/07/685269807.db2.gz XNXDQGKZKWKNFB-JTQLQIEISA-N 1 0 304.253 3.417 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(OC)ccc1Br ZINC000716948767 685275927 /nfs/dbraw/zinc/27/59/27/685275927.db2.gz VZIQPFVZYOLZAF-PWSUYJOCSA-N 1 0 316.239 3.097 10 0 DGAERO Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1 ZINC000228636083 685119038 /nfs/dbraw/zinc/11/90/38/685119038.db2.gz GRVIUBITLPJZRQ-AATRIKPKSA-N 1 0 308.397 3.305 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379654775 685148604 /nfs/dbraw/zinc/14/86/04/685148604.db2.gz JPIKEASACYKFMY-DSLXNQLJSA-N 1 0 302.462 3.197 10 0 DGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCCCC1 ZINC000379710437 685148951 /nfs/dbraw/zinc/14/89/51/685148951.db2.gz KQGKDPDXRMCHRY-GOSISDBHSA-N 1 0 315.461 3.237 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000381528495 685158002 /nfs/dbraw/zinc/15/80/02/685158002.db2.gz ZUCZSMACTHAHLV-WDEREUQCSA-N 1 0 314.376 3.356 10 0 DGAERO C[C@@H](Cc1ccccc1F)[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381768430 685159760 /nfs/dbraw/zinc/15/97/60/685159760.db2.gz PNCNUKBQXFGKGG-DANTVBBOSA-N 1 0 322.424 3.427 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000382043913 685161526 /nfs/dbraw/zinc/16/15/26/685161526.db2.gz VCCQULCVLULABC-GRAKBVBRSA-N 1 0 308.466 3.412 10 0 DGAERO c1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CC4CCC3CC4)C2)cc1 ZINC000382051227 685161811 /nfs/dbraw/zinc/16/18/11/685161811.db2.gz WKBJLDKIQPCMNH-PEVDHWGLSA-N 1 0 314.473 3.056 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000382075859 685162168 /nfs/dbraw/zinc/16/21/68/685162168.db2.gz UEGFXBNRUMFWFA-OCCSQVGLSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H]1CSC[C@@H]1[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000382075857 685162405 /nfs/dbraw/zinc/16/24/05/685162405.db2.gz UEGFXBNRUMFWFA-JSGCOSHPSA-N 1 0 314.495 3.117 10 0 DGAERO CC1(C)C[N@H+](CC2(O)CCCCC2)CCN1Cc1ccccc1 ZINC000382639368 685164454 /nfs/dbraw/zinc/16/44/54/685164454.db2.gz BUUBZCPUOCLZSA-UHFFFAOYSA-N 1 0 316.489 3.278 10 0 DGAERO CSC(C)(C)CC[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000385288096 685173930 /nfs/dbraw/zinc/17/39/30/685173930.db2.gz HUYMFMFEFGTISW-FPLPWBNLSA-N 1 0 302.484 3.189 10 0 DGAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1nc(Br)c[nH]1 ZINC000385797921 685174484 /nfs/dbraw/zinc/17/44/84/685174484.db2.gz CFCOGBIXZDIJKR-NSHDSACASA-N 1 0 308.223 3.283 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000389854153 685197407 /nfs/dbraw/zinc/19/74/07/685197407.db2.gz YMXQHUKJFFGLJZ-HZSPNIEDSA-N 1 0 314.470 3.035 10 0 DGAERO [NH3+][C@@H](CC(=O)Nc1ccccc1OCc1ccccc1)C1CC1 ZINC000390698527 685204216 /nfs/dbraw/zinc/20/42/16/685204216.db2.gz BMKWYPUGHJNWHF-INIZCTEOSA-N 1 0 310.397 3.332 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CSC2(C)C)C1 ZINC000393890232 685219954 /nfs/dbraw/zinc/21/99/54/685219954.db2.gz ZTDVBGIEMZQJEF-JHJVBQTASA-N 1 0 314.495 3.306 10 0 DGAERO Cc1cc(C)cc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000397651665 685230918 /nfs/dbraw/zinc/23/09/18/685230918.db2.gz WROVYJMTCWBPDJ-UHFFFAOYSA-N 1 0 304.434 3.260 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000397768919 685231468 /nfs/dbraw/zinc/23/14/68/685231468.db2.gz KHUDTPHAWYHXDC-UHFFFAOYSA-N 1 0 310.825 3.297 10 0 DGAERO Cc1cc(-c2noc(CC3([NH3+])CC3)n2)cc(C)c1Br ZINC000398434470 685237711 /nfs/dbraw/zinc/23/77/11/685237711.db2.gz UVMVAJMAGPIDPW-UHFFFAOYSA-N 1 0 322.206 3.150 10 0 DGAERO CC(C)CCC[NH2+]C[C@@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398770382 1176019879 /nfs/dbraw/zinc/01/98/79/1176019879.db2.gz CDKSEDFLHUBWJT-CQSZACIVSA-N 1 0 302.459 3.493 10 0 DGAERO CC(C)CCOCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389811640 1176254939 /nfs/dbraw/zinc/25/49/39/1176254939.db2.gz GEUDIQLNSTUFMN-MJGOQNOKSA-N 1 0 304.478 3.159 10 0 DGAERO CCCn1nccc1C[NH2+]CCCN(CC)C(=O)OC(C)(C)C ZINC000227618535 1176299939 /nfs/dbraw/zinc/29/99/39/1176299939.db2.gz IYSJSBZUIUAAQI-UHFFFAOYSA-N 1 0 324.469 3.030 10 0 DGAERO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2N)C[C@H](C)[N@H+]1C ZINC000328454019 1176640463 /nfs/dbraw/zinc/64/04/63/1176640463.db2.gz QMGCHJZPEWKNGZ-AOOOYVTPSA-N 1 0 302.249 3.100 10 0 DGAERO C[C@H](CC[NH+](C)C)NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000228108038 1176805677 /nfs/dbraw/zinc/80/56/77/1176805677.db2.gz SCLGHMSSXYUFNN-LLVKDONJSA-N 1 0 311.857 3.103 10 0 DGAERO CC[C@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CC1(C)C ZINC000397724296 1177010887 /nfs/dbraw/zinc/01/08/87/1177010887.db2.gz WUXUXWFHZXYSJE-OLZOCXBDSA-N 1 0 314.271 3.450 10 0 DGAERO CSCCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397852771 1177013236 /nfs/dbraw/zinc/01/32/36/1177013236.db2.gz VKLAHKXVIPVJNN-NWDGAFQWSA-N 1 0 302.484 3.021 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1ccc(Br)cc1C ZINC000398624565 1177027795 /nfs/dbraw/zinc/02/77/95/1177027795.db2.gz XWXFGYZDHNEIEP-AWEZNQCLSA-N 1 0 300.240 3.398 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1Br ZINC000384972211 1177146469 /nfs/dbraw/zinc/14/64/69/1177146469.db2.gz YDBCXNKLMQXJEY-RGNHYFCHSA-N 1 0 304.253 3.475 10 0 DGAERO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000381112240 1177336681 /nfs/dbraw/zinc/33/66/81/1177336681.db2.gz CGTTXALLXAOERF-SOUVJXGZSA-N 1 0 316.486 3.331 10 0 DGAERO COc1cc(NC(=O)C2CC[NH+](CC(C)C)CC2)cc(OC)c1 ZINC000096626212 1177336946 /nfs/dbraw/zinc/33/69/46/1177336946.db2.gz YRYGKMUAEUDWBM-UHFFFAOYSA-N 1 0 320.433 3.010 10 0 DGAERO Cc1c(C[NH2+]CCN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000386687805 1177412600 /nfs/dbraw/zinc/41/26/00/1177412600.db2.gz JSRMGHBGCRMGGS-UHFFFAOYSA-N 1 0 313.401 3.125 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000085356176 1177644836 /nfs/dbraw/zinc/64/48/36/1177644836.db2.gz BMIIEWWBHBCOIL-RYUDHWBXSA-N 1 0 302.296 3.041 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1Cc2ccccc2C2(CCC2)C1 ZINC000359065551 1178069057 /nfs/dbraw/zinc/06/90/57/1178069057.db2.gz PBXSKAVHCLMZMP-GOSISDBHSA-N 1 0 312.457 3.325 10 0 DGAERO CN1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000044561392 1194286873 /nfs/dbraw/zinc/28/68/73/1194286873.db2.gz BFQLGYYGEFBOPC-ZDUSSCGKSA-N 1 0 315.230 3.162 10 0 DGAERO CN1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000044561391 1194287076 /nfs/dbraw/zinc/28/70/76/1194287076.db2.gz BFQLGYYGEFBOPC-CYBMUJFWSA-N 1 0 315.230 3.162 10 0 DGAERO Fc1ccccc1CC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000061556593 1195199322 /nfs/dbraw/zinc/19/93/22/1195199322.db2.gz PQRMFWUTENGFIB-UHFFFAOYSA-N 1 0 309.388 3.403 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2N)c1 ZINC000062823051 1195268261 /nfs/dbraw/zinc/26/82/61/1195268261.db2.gz JORKTCCGKYFDQM-UHFFFAOYSA-N 1 0 303.793 3.236 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1Cl ZINC000066990711 1195583429 /nfs/dbraw/zinc/58/34/29/1195583429.db2.gz DONDFWOMQIPXHK-GFCCVEGCSA-N 1 0 324.852 3.298 10 0 DGAERO c1ccc(-c2ccc(C[NH2+]CCOC[C@H]3CCOC3)cc2)cc1 ZINC000068995609 1195764539 /nfs/dbraw/zinc/76/45/39/1195764539.db2.gz ODPFBPPCBWPNAG-SFHVURJKSA-N 1 0 311.425 3.496 10 0 DGAERO CC(C)[NH+](CCNCc1cnn(Cc2ccccc2)c1)C(C)C ZINC000072785930 1196117298 /nfs/dbraw/zinc/11/72/98/1196117298.db2.gz CFQYKGSOIKQPIT-UHFFFAOYSA-N 1 0 314.477 3.140 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCc2nc(C)cs2)cc1OC ZINC000075780270 1196416585 /nfs/dbraw/zinc/41/65/85/1196416585.db2.gz UGCSPPNBIZREPH-UHFFFAOYSA-N 1 0 318.442 3.357 10 0 DGAERO COc1cccc(C[NH2+]CCc2ccccn2)c1OC(C)C ZINC000078940841 1196826403 /nfs/dbraw/zinc/82/64/03/1196826403.db2.gz ZTANHWTWMBXDTQ-UHFFFAOYSA-N 1 0 300.402 3.210 10 0 DGAERO COC1(C[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)CCC1 ZINC000381949774 1197704841 /nfs/dbraw/zinc/70/48/41/1197704841.db2.gz BSDICCPCWCEWPD-AWEZNQCLSA-N 1 0 314.470 3.229 10 0 DGAERO COc1ccc(C[NH2+]Cc2cc(C)ccn2)cc1Br ZINC000381456088 1197705247 /nfs/dbraw/zinc/70/52/47/1197705247.db2.gz ZJKDRXVLDZNFQV-UHFFFAOYSA-N 1 0 321.218 3.451 10 0 DGAERO CCCn1cncc1C[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000389946139 1197711070 /nfs/dbraw/zinc/71/10/70/1197711070.db2.gz QCVPNHSKMGZXPK-INIZCTEOSA-N 1 0 301.434 3.378 10 0 DGAERO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CO1 ZINC000396921673 1197723506 /nfs/dbraw/zinc/72/35/06/1197723506.db2.gz JUGVLFYBASOHGM-ROUUACIJSA-N 1 0 302.462 3.198 10 0 DGAERO CC(C)[C@H](CO)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000092392788 1198567930 /nfs/dbraw/zinc/56/79/30/1198567930.db2.gz ZWYFVSOTNKXQTH-QOZQQMKHSA-N 1 0 312.251 3.302 10 0 DGAERO c1nc2ccccc2n1CCC[NH2+]Cc1nc2c(s1)CCC2 ZINC000093053676 1198645598 /nfs/dbraw/zinc/64/55/98/1198645598.db2.gz FLVBZDTWJMHAEM-UHFFFAOYSA-N 1 0 312.442 3.161 10 0 DGAERO CC[C@H]1CCCC[C@H]1C[NH2+]Cc1nn(C)cc1Br ZINC000401631136 1199410743 /nfs/dbraw/zinc/41/07/43/1199410743.db2.gz YMOCHOSOTYWJTC-RYUDHWBXSA-N 1 0 314.271 3.489 10 0 DGAERO C[C@@H]1[C@@H](C)[N@@H+](CCCCCO)C[C@H](C)N1Cc1ccccc1 ZINC000404326232 1199549216 /nfs/dbraw/zinc/54/92/16/1199549216.db2.gz MQGVOKFMOMYDQU-RCCFBDPRSA-N 1 0 304.478 3.132 10 0 DGAERO CCC[C@@H](C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)OC ZINC000404567904 1199570029 /nfs/dbraw/zinc/57/00/29/1199570029.db2.gz FADGQQYPKNTNND-AWEZNQCLSA-N 1 0 314.470 3.086 10 0 DGAERO CCCCOCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404946685 1199588825 /nfs/dbraw/zinc/58/88/25/1199588825.db2.gz OAHZQEHFOGDEFL-KBPBESRZSA-N 1 0 314.470 3.085 10 0 DGAERO CCCCOCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404946688 1199588880 /nfs/dbraw/zinc/58/88/80/1199588880.db2.gz OAHZQEHFOGDEFL-KGLIPLIRSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCc2ccco2)C12CCC2 ZINC000405227077 1199594842 /nfs/dbraw/zinc/59/48/42/1199594842.db2.gz OZIDIGMMEMEIGN-HUUCEWRRSA-N 1 0 320.433 3.248 10 0 DGAERO c1[nH]nc2cc(C[NH2+]C[C@H]3CCCN3Cc3ccccc3)ccc12 ZINC000114772241 1199717220 /nfs/dbraw/zinc/71/72/20/1199717220.db2.gz FPYFOWGRJYHRTI-LJQANCHMSA-N 1 0 320.440 3.317 10 0 DGAERO CC1(C[NH2+]CCCn2cc(Br)cn2)CCCC1 ZINC000310524687 1199720888 /nfs/dbraw/zinc/72/08/88/1199720888.db2.gz MTQFHXDVLYVVTK-UHFFFAOYSA-N 1 0 300.244 3.206 10 0 DGAERO c1ccc(OC2CCCC2)c(C[NH2+]CCOC[C@@H]2CCCO2)c1 ZINC000115625785 1199756948 /nfs/dbraw/zinc/75/69/48/1199756948.db2.gz NTFXRGKUFQPMJM-SFHVURJKSA-N 1 0 319.445 3.293 10 0 DGAERO O[C@@H](C[NH2+]C1CC(c2ccccc2Br)C1)C1CCC1 ZINC000316505627 1199814781 /nfs/dbraw/zinc/81/47/81/1199814781.db2.gz XIUKIMAHYLRRDA-ZUEPYMLJSA-N 1 0 324.262 3.446 10 0 DGAERO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cs1 ZINC000116879024 1199815563 /nfs/dbraw/zinc/81/55/63/1199815563.db2.gz JHIDLDLDSLVTNI-CABZTGNLSA-N 1 0 304.253 3.246 10 0 DGAERO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000121138290 1200196063 /nfs/dbraw/zinc/19/60/63/1200196063.db2.gz OJSGWIFPSRAKHD-GBESFXJTSA-N 1 0 303.446 3.183 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+]CCCNc1ccccc1 ZINC000124236274 1200334571 /nfs/dbraw/zinc/33/45/71/1200334571.db2.gz IFMACIVTOQTRAI-UHFFFAOYSA-N 1 0 306.413 3.464 10 0 DGAERO Cc1nn(C)c(C)c1C[NH2+]CCCCOCc1ccccc1 ZINC000126003329 1200480560 /nfs/dbraw/zinc/48/05/60/1200480560.db2.gz QWLJSWOBQRQMAQ-UHFFFAOYSA-N 1 0 301.434 3.124 10 0 DGAERO CCCCOCCC[NH2+]Cc1cc(O)ccc1Br ZINC000126184408 1200503134 /nfs/dbraw/zinc/50/31/34/1200503134.db2.gz XTORJGIRTCDFEH-UHFFFAOYSA-N 1 0 316.239 3.451 10 0 DGAERO CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC(c2ccccc2Br)C1 ZINC000128340343 1200769934 /nfs/dbraw/zinc/76/99/34/1200769934.db2.gz DIJLOZIQTOBPMF-FWFPMQDGSA-N 1 0 324.262 3.444 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000133448629 1201190235 /nfs/dbraw/zinc/19/02/35/1201190235.db2.gz ILCVRIYRBMJNTD-GTNSWQLSSA-N 1 0 318.280 3.004 10 0 DGAERO c1nc(C2CCCC2)sc1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000136326928 1201211543 /nfs/dbraw/zinc/21/15/43/1201211543.db2.gz TUNNGGGUCOQSNC-CQSZACIVSA-N 1 0 310.463 3.086 10 0 DGAERO c1ccc(OC2CC[NH+](CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000193045664 1201261147 /nfs/dbraw/zinc/26/11/47/1201261147.db2.gz ZRILRHFUTDLJFL-GOSISDBHSA-N 1 0 305.418 3.073 10 0 DGAERO c1csc(-c2ncc(C[NH2+]CCCO[C@H]3CCOC3)s2)c1 ZINC000153061212 1202595893 /nfs/dbraw/zinc/59/58/93/1202595893.db2.gz XAEQMJHNPFUXNN-LBPRGKRZSA-N 1 0 324.471 3.157 10 0 DGAERO CCOCCCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000236842279 1202629130 /nfs/dbraw/zinc/62/91/30/1202629130.db2.gz NUKDMEIYHUFPBD-UHFFFAOYSA-N 1 0 316.239 3.364 10 0 DGAERO CCOCCCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000236841737 1202628033 /nfs/dbraw/zinc/62/80/33/1202628033.db2.gz NTICXHLTVUVDIZ-UHFFFAOYSA-N 1 0 304.203 3.495 10 0 DGAERO CN1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000161305131 1202674698 /nfs/dbraw/zinc/67/46/98/1202674698.db2.gz QQCPDFRDXPEXRU-GFCCVEGCSA-N 1 0 315.230 3.162 10 0 DGAERO C=CCOc1ccc(CNCCC[NH+]2CCCC2)cc1Cl ZINC000237694873 1202689810 /nfs/dbraw/zinc/68/98/10/1202689810.db2.gz PZTARSBMYMAGTE-UHFFFAOYSA-N 1 0 308.853 3.480 10 0 DGAERO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185017642 1202834550 /nfs/dbraw/zinc/83/45/50/1202834550.db2.gz GZVSXWKLRUZNEP-LBPRGKRZSA-N 1 0 316.430 3.200 10 0 DGAERO CC(C)OC[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000186075283 1202893527 /nfs/dbraw/zinc/89/35/27/1202893527.db2.gz IWTAEXNCOPUEST-RTBURBONSA-N 1 0 317.404 3.291 10 0 DGAERO CNC(=O)c1cccc(C[N@@H+]2CCc3cc(C)cc(C)c3C2)c1 ZINC000186459871 1202924308 /nfs/dbraw/zinc/92/43/08/1202924308.db2.gz VUZYYIKEYDDPFH-UHFFFAOYSA-N 1 0 308.425 3.221 10 0 DGAERO Cc1cc(C)c2c(c1)CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000186467499 1202925752 /nfs/dbraw/zinc/92/57/52/1202925752.db2.gz BXPABGVITVQKSA-FQEVSTJZSA-N 1 0 306.409 3.267 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000191045425 1203283171 /nfs/dbraw/zinc/28/31/71/1203283171.db2.gz ADEQNJWQHYIMAH-GUYCJALGSA-N 1 0 316.445 3.163 10 0 DGAERO Clc1cccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000245907946 1203699339 /nfs/dbraw/zinc/69/93/39/1203699339.db2.gz QYBYMAWIEMTLRF-UONOGXRCSA-N 1 0 312.866 3.222 10 0 DGAERO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000166965521 1203810474 /nfs/dbraw/zinc/81/04/74/1203810474.db2.gz JWDKPVSXPXYOCT-ONGXEEELSA-N 1 0 301.171 3.037 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)CC(=O)OCc1ccccc1 ZINC000176438615 1203930829 /nfs/dbraw/zinc/93/08/29/1203930829.db2.gz CCWQWDZROKGXQB-CQSZACIVSA-N 1 0 303.427 3.354 10 0 DGAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000261608659 1204029315 /nfs/dbraw/zinc/02/93/15/1204029315.db2.gz AIQMCJBZJRLIJK-GJZGRUSLSA-N 1 0 316.445 3.207 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000262516452 1204323319 /nfs/dbraw/zinc/32/33/19/1204323319.db2.gz NOYLKPVCQDBZRZ-ZJUUUORDSA-N 1 0 318.314 3.092 10 0 DGAERO COc1ccc(N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1Cl ZINC000262560972 1204325008 /nfs/dbraw/zinc/32/50/08/1204325008.db2.gz QPZSRURBZLOSTM-YVEFUNNKSA-N 1 0 322.836 3.091 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC000262584429 1204327724 /nfs/dbraw/zinc/32/77/24/1204327724.db2.gz ZNEVYZZWSUFKLP-DLBZAZTESA-N 1 0 300.446 3.001 10 0 DGAERO CN1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1Cl ZINC000706432891 1082007586 /nfs/dbraw/zinc/00/75/86/1082007586.db2.gz ANMSCXPYTRZVPI-NSHDSACASA-N 1 0 317.658 3.286 10 0 DGAERO C/C(=C/c1ccc(C)cc1)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000588401275 1082143239 /nfs/dbraw/zinc/14/32/39/1082143239.db2.gz RGDFBGCPBSNRJL-WREUSQSKSA-N 1 0 312.457 3.341 10 0 DGAERO CC1(C)C[C@@H]1[NH2+]Cc1ccc(I)cc1 ZINC000083849366 1082268406 /nfs/dbraw/zinc/26/84/06/1082268406.db2.gz KOCHAHOJCGSMLJ-NSHDSACASA-N 1 0 301.171 3.179 10 0 DGAERO COc1ccccc1/C=C\C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000588613080 1082848902 /nfs/dbraw/zinc/84/89/02/1082848902.db2.gz LGOPDBGNIKVUDT-QQBNSCQMSA-N 1 0 320.433 3.211 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2Br)[C@@H]1C ZINC000712477723 1085731668 /nfs/dbraw/zinc/73/16/68/1085731668.db2.gz XJPSTWQINXXJMS-CKYFFXLPSA-N 1 0 300.244 3.097 10 0 DGAERO CCN1CC[C@@H]1C[NH2+]Cc1cc(Br)c(C)s1 ZINC000712571628 1085757018 /nfs/dbraw/zinc/75/70/18/1085757018.db2.gz KAHTWQKZKMVZCP-SNVBAGLBSA-N 1 0 303.269 3.003 10 0 DGAERO COc1cccc(C2CC([NH2+]C[C@@H](C)CC3(C)OCCO3)C2)c1 ZINC000715907662 1091038925 /nfs/dbraw/zinc/03/89/25/1091038925.db2.gz IGZOISWXBDGUDK-OOHWJJMZSA-N 1 0 319.445 3.320 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1cn(C)nc1Br)C(C)(C)C ZINC000713833340 1091615058 /nfs/dbraw/zinc/61/50/58/1091615058.db2.gz AVXWDQLRKCGXPI-JTQLQIEISA-N 1 0 302.260 3.297 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000401726194 1092144807 /nfs/dbraw/zinc/14/48/07/1092144807.db2.gz LNORCTVKUADLQT-MNOVXSKESA-N 1 0 310.360 3.174 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+]C[C@@H]2CC3CCC2CC3)C1 ZINC000400141801 1093869772 /nfs/dbraw/zinc/86/97/72/1093869772.db2.gz RRABQPFOQPCZEG-PZQKLGETSA-N 1 0 308.466 3.458 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ncc[nH]1 ZINC000400446057 1093895128 /nfs/dbraw/zinc/89/51/28/1093895128.db2.gz AUPQARDWEDCWIZ-CHWSQXEVSA-N 1 0 322.453 3.096 10 0 DGAERO C[C@H]([NH2+]CCOC(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400481013 1093899369 /nfs/dbraw/zinc/89/93/69/1093899369.db2.gz FONLHYLYASUNQZ-KBPBESRZSA-N 1 0 314.470 3.179 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C(F)F ZINC000400514699 1093900425 /nfs/dbraw/zinc/90/04/25/1093900425.db2.gz MOYKUELQKJEMOB-GHMZBOCLSA-N 1 0 306.397 3.265 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401791939 1093972159 /nfs/dbraw/zinc/97/21/59/1093972159.db2.gz WYVNCNRQFNJNCC-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO CC1(C)CC([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401949744 1093981225 /nfs/dbraw/zinc/98/12/25/1093981225.db2.gz UAPLWGUKCKCQAR-HNNXBMFYSA-N 1 0 302.418 3.176 10 0 DGAERO CC[C@H](C[NH2+]Cc1nc(Br)c[nH]1)CC(F)(F)F ZINC000402552598 1094032645 /nfs/dbraw/zinc/03/26/45/1094032645.db2.gz FSLQREWDKIVLBG-ZETCQYMHSA-N 1 0 314.149 3.240 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000403623062 1094156063 /nfs/dbraw/zinc/15/60/63/1094156063.db2.gz HYABWQWQWVQNEY-FUDCBSFHSA-N 1 0 312.479 3.012 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CO2)C12CCC2 ZINC000404594578 1094262564 /nfs/dbraw/zinc/26/25/64/1094262564.db2.gz ADDSTLOFEWKQCZ-QLFBSQMISA-N 1 0 322.449 3.105 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+][C@H]2CCCSC2)CC1 ZINC000404690313 1094265679 /nfs/dbraw/zinc/26/56/79/1094265679.db2.gz RRIOGSKWWDKTFB-ZDUSSCGKSA-N 1 0 314.495 3.167 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)CS1 ZINC000404702412 1094266826 /nfs/dbraw/zinc/26/68/26/1094266826.db2.gz ZKKOPICQJXHXKI-CHWSQXEVSA-N 1 0 314.495 3.165 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cccnc2)C12CCC2 ZINC000404764813 1094268322 /nfs/dbraw/zinc/26/83/22/1094268322.db2.gz VEWSMPPOUVZPJX-LSDHHAIUSA-N 1 0 317.433 3.007 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)o1 ZINC000404782759 1094268355 /nfs/dbraw/zinc/26/83/55/1094268355.db2.gz XBTVTEQHCPJMNE-KBPBESRZSA-N 1 0 323.437 3.073 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)o1 ZINC000404783315 1094268645 /nfs/dbraw/zinc/26/86/45/1094268645.db2.gz XBTVTEQHCPJMNE-ZIAGYGMSSA-N 1 0 323.437 3.073 10 0 DGAERO Cc1cccnc1CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000405004328 1094282483 /nfs/dbraw/zinc/28/24/83/1094282483.db2.gz YBJHYKINBRXOBZ-PXNSSMCTSA-N 1 0 309.457 3.185 10 0 DGAERO Cc1cc(C)n2c(C[NH2+][C@H]3CCCc4c(O)cccc43)cnc2n1 ZINC000191658184 1094671206 /nfs/dbraw/zinc/67/12/06/1094671206.db2.gz VQKFCCZYKGQQTL-KRWDZBQOSA-N 1 0 322.412 3.219 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000311648893 1094963652 /nfs/dbraw/zinc/96/36/52/1094963652.db2.gz BPZDFLGKRSTQNJ-HOJAQTOUSA-N 1 0 316.489 3.446 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C)c(Br)c1 ZINC000313606791 1095014472 /nfs/dbraw/zinc/01/44/72/1095014472.db2.gz JLCBLBYEAASONV-HIFRSBDPSA-N 1 0 312.251 3.350 10 0 DGAERO COC[C@H](C[NH2+]Cc1cccc(Br)c1)C(C)C ZINC000721987076 1098261268 /nfs/dbraw/zinc/26/12/68/1098261268.db2.gz QEJFJLNJPYWZKT-ZDUSSCGKSA-N 1 0 300.240 3.457 10 0 DGAERO C#CC[NH+]1CCC(C(=O)Nc2cccc(Cl)c2OCC)CC1 ZINC000067232322 1098464343 /nfs/dbraw/zinc/46/43/43/1098464343.db2.gz MLLBCCTUTZUDCF-UHFFFAOYSA-N 1 0 320.820 3.022 10 0 DGAERO CCC[NH2+][C@H](CNC(=O)c1cc2sccc2s1)C1CC1 ZINC000722092287 1098539538 /nfs/dbraw/zinc/53/95/38/1098539538.db2.gz MLNBDACULGWKDZ-LLVKDONJSA-N 1 0 308.472 3.471 10 0 DGAERO CC1(C)CO[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000717587808 1104360505 /nfs/dbraw/zinc/36/05/05/1104360505.db2.gz HMNJGRMDQJERMO-LLVKDONJSA-N 1 0 316.214 3.493 10 0 DGAERO C[C@H]1[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CCN1C ZINC000719597841 1104957466 /nfs/dbraw/zinc/95/74/66/1104957466.db2.gz FWBPJKUONUXSKY-WIRQWFGLSA-N 1 0 323.278 3.377 10 0 DGAERO CC[NH+](CC)CCSCc1sncc1Br ZINC000719856834 1105023631 /nfs/dbraw/zinc/02/36/31/1105023631.db2.gz SDAWTHDHGIRBLT-UHFFFAOYSA-N 1 0 309.298 3.481 10 0 DGAERO Cc1cn(C)nc1C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000723937835 1106466373 /nfs/dbraw/zinc/46/63/73/1106466373.db2.gz GVAMKVARPNECLV-ZWKOTPCHSA-N 1 0 313.445 3.202 10 0 DGAERO CN1CCC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000250584213 546329012 /nfs/dbraw/zinc/32/90/12/546329012.db2.gz GLFDLUHVYCMSFD-HIFRSBDPSA-N 1 0 309.251 3.120 10 0 DGAERO COC(=O)c1occc1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000076713356 185034686 /nfs/dbraw/zinc/03/46/86/185034686.db2.gz KJVWZWRZHXDWPL-MRXNPFEDSA-N 1 0 317.360 3.412 10 0 DGAERO c1cc([C@@H]2CCCN2CC[NH+]2CCCCC2)cc2c1OCO2 ZINC000078833387 185117825 /nfs/dbraw/zinc/11/78/25/185117825.db2.gz PFWCOFLAJCDDAZ-INIZCTEOSA-N 1 0 302.418 3.038 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1 ZINC000181284521 199275618 /nfs/dbraw/zinc/27/56/18/199275618.db2.gz PLMPQMARFHBXQD-HXUWFJFHSA-N 1 0 308.425 3.200 10 0 DGAERO c1ccc2c(c1)ncnc2NC1CC[NH+](Cc2cccnc2)CC1 ZINC000278687782 214327466 /nfs/dbraw/zinc/32/74/66/214327466.db2.gz LRPPMFIESYPIMM-UHFFFAOYSA-N 1 0 319.412 3.101 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000305898357 231081718 /nfs/dbraw/zinc/08/17/18/231081718.db2.gz UYNQTTSPQQZOSL-PRHODGIISA-N 1 0 320.177 3.242 10 0 DGAERO OCC[C@@H]1CCC[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000311327677 231118426 /nfs/dbraw/zinc/11/84/26/231118426.db2.gz DZGLBCVOWWWJAT-NSHDSACASA-N 1 0 304.217 3.219 10 0 DGAERO c1nnc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000310019050 231109920 /nfs/dbraw/zinc/10/99/20/231109920.db2.gz QFOLRYWPRHMSKG-HNNXBMFYSA-N 1 0 302.447 3.252 10 0 DGAERO C[C@@H](CC[NH2+]Cc1ccc(Cl)c2cccnc12)[S@@](C)=O ZINC000129327655 432004378 /nfs/dbraw/zinc/00/43/78/432004378.db2.gz KUPMNVHLNQOKKC-YBTHPKLGSA-N 1 0 310.850 3.135 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3c(C)noc3C)C2)c1 ZINC000083402962 185222203 /nfs/dbraw/zinc/22/22/03/185222203.db2.gz WTKYMDXBOSUEHJ-CQSZACIVSA-N 1 0 316.401 3.298 10 0 DGAERO CCc1c(C)[nH+]c2ccccc2c1NC[C@]1(CCO)CCOC1 ZINC000302025919 529491849 /nfs/dbraw/zinc/49/18/49/529491849.db2.gz HWEZELRLBZPWKT-IBGZPJMESA-N 1 0 314.429 3.307 10 0 DGAERO O[C@H]1CCCCC[C@H]1[NH2+]Cc1sccc1Br ZINC000087575548 185228774 /nfs/dbraw/zinc/22/87/74/185228774.db2.gz XSFJIYNYCRMHHF-MNOVXSKESA-N 1 0 304.253 3.294 10 0 DGAERO CCc1cc(N(C)Cc2cnc(N(C)C)nc2)c2ccccc2[nH+]1 ZINC000302027507 529529159 /nfs/dbraw/zinc/52/91/59/529529159.db2.gz LPWQTIMGEFXLMU-UHFFFAOYSA-N 1 0 321.428 3.290 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129454802 432005443 /nfs/dbraw/zinc/00/54/43/432005443.db2.gz QQORWAQCAFIXQT-BXUZGUMPSA-N 1 0 305.315 3.485 10 0 DGAERO Cc1ncc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)s1 ZINC000090419464 185295448 /nfs/dbraw/zinc/29/54/48/185295448.db2.gz DUXJORVZBMMGJC-WFASDCNBSA-N 1 0 321.490 3.283 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1cccnc1 ZINC000092767256 185338970 /nfs/dbraw/zinc/33/89/70/185338970.db2.gz FFSYPQGTWJKDMC-GXTWGEPZSA-N 1 0 303.356 3.289 10 0 DGAERO CCc1csc([C@@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)n1 ZINC000092789059 185341155 /nfs/dbraw/zinc/34/11/55/185341155.db2.gz JJTQJNJHAPGJHQ-CYBMUJFWSA-N 1 0 304.463 3.127 10 0 DGAERO CCOc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812387 185343569 /nfs/dbraw/zinc/34/35/69/185343569.db2.gz LHSCIYAMPNERRE-QGZVFWFLSA-N 1 0 311.429 3.414 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000092849238 185346226 /nfs/dbraw/zinc/34/62/26/185346226.db2.gz DCVHAVXRNDIIEV-DOTOQJQBSA-N 1 0 318.804 3.303 10 0 DGAERO COc1ccc(OC)c([C@@H](C)[NH2+]CCCc2ccccn2)c1 ZINC000181494453 199305653 /nfs/dbraw/zinc/30/56/53/199305653.db2.gz UACJEUWGEPCZRQ-CQSZACIVSA-N 1 0 300.402 3.382 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+]CCCc2ccccn2)cc1 ZINC000181490898 199306390 /nfs/dbraw/zinc/30/63/90/199306390.db2.gz OUZDOJGVKHBDGY-INIZCTEOSA-N 1 0 314.429 3.390 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C12CCCC2 ZINC000181566374 199319419 /nfs/dbraw/zinc/31/94/19/199319419.db2.gz MGNRSACVIGNPLX-DLBZAZTESA-N 1 0 307.409 3.145 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCC(C)(C)CC2)[C@H](C)C1 ZINC000129599238 432007563 /nfs/dbraw/zinc/00/75/63/432007563.db2.gz SQNVSAIKAZYRMM-GDBMZVCRSA-N 1 0 309.498 3.327 10 0 DGAERO CC(C)[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000181607818 199326286 /nfs/dbraw/zinc/32/62/86/199326286.db2.gz FLMSFQSEIPLNPT-PBHICJAKSA-N 1 0 313.388 3.447 10 0 DGAERO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1cccnc1 ZINC000181632103 199330160 /nfs/dbraw/zinc/33/01/60/199330160.db2.gz BNZQTKVEJIFKTD-DOTOQJQBSA-N 1 0 314.429 3.296 10 0 DGAERO C[N@H+](CCCO)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000442969956 529894053 /nfs/dbraw/zinc/89/40/53/529894053.db2.gz ZGXXYQZQQSPKKT-UHFFFAOYSA-N 1 0 302.201 3.083 10 0 DGAERO CCOc1cc(C[C@@H]([NH3+])CC)cc(Br)c1OC ZINC000037722472 190665299 /nfs/dbraw/zinc/66/52/99/190665299.db2.gz BAYABCQLJCKSCA-JTQLQIEISA-N 1 0 302.212 3.136 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000106912582 185462583 /nfs/dbraw/zinc/46/25/83/185462583.db2.gz WGRHKKPRVYFOJE-UXHICEINSA-N 1 0 322.452 3.175 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000111264816 185567678 /nfs/dbraw/zinc/56/76/78/185567678.db2.gz SYUWQJQDAOWSCX-RKDXNWHRSA-N 1 0 304.337 3.093 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](CCc2ccncc2)CC1 ZINC000111307323 185578700 /nfs/dbraw/zinc/57/87/00/185578700.db2.gz KXHYJTUDUXXFKZ-UHFFFAOYSA-N 1 0 321.468 3.399 10 0 DGAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000181963525 199368020 /nfs/dbraw/zinc/36/80/20/199368020.db2.gz QRMMYCVNZAQUGU-MRXNPFEDSA-N 1 0 302.374 3.062 10 0 DGAERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000272679661 210082524 /nfs/dbraw/zinc/08/25/24/210082524.db2.gz RRKWGUJPZIZKFZ-GOSISDBHSA-N 1 0 324.424 3.047 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1ccccc1C(F)(F)F ZINC000104847640 432017525 /nfs/dbraw/zinc/01/75/25/432017525.db2.gz SLIZAIFGOOMWPY-GFCCVEGCSA-N 1 0 316.367 3.094 10 0 DGAERO C[C@H]([NH2+]Cc1cccs1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279667257 215046117 /nfs/dbraw/zinc/04/61/17/215046117.db2.gz FFFMBZZVOOFDCR-STQMWFEESA-N 1 0 310.463 3.483 10 0 DGAERO CCO[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000130191000 432017921 /nfs/dbraw/zinc/01/79/21/432017921.db2.gz CVGDZSMKBMATNR-VMWRSERWSA-N 1 0 318.461 3.001 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC000105896074 432019469 /nfs/dbraw/zinc/01/94/69/432019469.db2.gz BAJXXCPAJXKCCL-ZDUSSCGKSA-N 1 0 319.371 3.143 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279762768 215124511 /nfs/dbraw/zinc/12/45/11/215124511.db2.gz RNLXGLLZVBNZPV-HIFRSBDPSA-N 1 0 320.433 3.127 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cn1 ZINC000126881386 185899959 /nfs/dbraw/zinc/89/99/59/185899959.db2.gz RVKXVRBFPRRMKG-HNNXBMFYSA-N 1 0 305.466 3.364 10 0 DGAERO CCC[N@H+](CCC(=O)Nc1ccccc1)C[C@H]1CCCCO1 ZINC000106866620 432022530 /nfs/dbraw/zinc/02/25/30/432022530.db2.gz DHKAKZFCSMQHCY-QGZVFWFLSA-N 1 0 304.434 3.296 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)CC2 ZINC000130262884 185951190 /nfs/dbraw/zinc/95/11/90/185951190.db2.gz GPRDHDBYRCIJEP-ZJUUUORDSA-N 1 0 310.854 3.221 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Cl)cc1Cl ZINC000084061553 192398982 /nfs/dbraw/zinc/39/89/82/192398982.db2.gz HHGBKFGFWBTRRA-KOLCDFICSA-N 1 0 301.217 3.265 10 0 DGAERO CSCCCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000133652335 186003310 /nfs/dbraw/zinc/00/33/10/186003310.db2.gz YDTHJKGFNXJGTI-NSHDSACASA-N 1 0 319.467 3.023 10 0 DGAERO CSCCCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000133717061 186009573 /nfs/dbraw/zinc/00/95/73/186009573.db2.gz GSQRPLCSKRMXHD-RDJZCZTQSA-N 1 0 307.507 3.025 10 0 DGAERO C[NH+]1CCC(CCNC(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC000170980234 197861299 /nfs/dbraw/zinc/86/12/99/197861299.db2.gz KQPXWLIBVJKASI-GOSISDBHSA-N 1 0 314.473 3.345 10 0 DGAERO O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000148979737 186046868 /nfs/dbraw/zinc/04/68/68/186046868.db2.gz UQOWLLLEVBRNEW-UHFFFAOYSA-N 1 0 317.820 3.132 10 0 DGAERO CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152441744 186073314 /nfs/dbraw/zinc/07/33/14/186073314.db2.gz KAKKOLZLALXKFH-UKRRQHHQSA-N 1 0 306.475 3.459 10 0 DGAERO Cc1nc(Cl)ccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000152483244 186078071 /nfs/dbraw/zinc/07/80/71/186078071.db2.gz QZKHGIGIBZLNAS-HNNXBMFYSA-N 1 0 317.820 3.076 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cc(C(=O)OC)ccc1F ZINC000182024508 199376579 /nfs/dbraw/zinc/37/65/79/199376579.db2.gz WVRDHSLWSJFUGB-UHFFFAOYSA-N 1 0 322.405 3.133 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000164266528 186153571 /nfs/dbraw/zinc/15/35/71/186153571.db2.gz JPXCAGNFZLVPQF-MNOVXSKESA-N 1 0 304.253 3.151 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000177859148 186194503 /nfs/dbraw/zinc/19/45/03/186194503.db2.gz BPFRGMAZUJYOHR-CJNGLKHVSA-N 1 0 323.868 3.212 10 0 DGAERO Cc1coc2ccc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cc12 ZINC000187999689 186241407 /nfs/dbraw/zinc/24/14/07/186241407.db2.gz SIUQEYYCAWAXEK-DZGCQCFKSA-N 1 0 313.401 3.442 10 0 DGAERO OCCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000194215817 186270019 /nfs/dbraw/zinc/27/00/19/186270019.db2.gz LREKKXRWAPDCSO-ZDUSSCGKSA-N 1 0 314.223 3.025 10 0 DGAERO CC(C)[N@@H+](Cc1cc(F)ccc1Br)C[C@H](C)O ZINC000107043428 432026150 /nfs/dbraw/zinc/02/61/50/432026150.db2.gz WIXQKHQJHXJUEZ-JTQLQIEISA-N 1 0 304.203 3.179 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cccnc1Cl ZINC000130498776 432026823 /nfs/dbraw/zinc/02/68/23/432026823.db2.gz TWSRAAXHWONTEH-RISCZKNCSA-N 1 0 306.793 3.128 10 0 DGAERO CN(C)C(=O)C1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000130546926 432027076 /nfs/dbraw/zinc/02/70/76/432027076.db2.gz IFXCOXGLFRZWRL-MRXNPFEDSA-N 1 0 306.837 3.128 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171886273 198000812 /nfs/dbraw/zinc/00/08/12/198000812.db2.gz MRHQDNMGUQQAPX-OAHLLOKOSA-N 1 0 301.434 3.430 10 0 DGAERO CC(C)(C)Oc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172120384 198042760 /nfs/dbraw/zinc/04/27/60/198042760.db2.gz BKWDSTMJPNDNAT-AWEZNQCLSA-N 1 0 317.433 3.176 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](CCSc3ccccc3)C2)no1 ZINC000172177616 198052721 /nfs/dbraw/zinc/05/27/21/198052721.db2.gz KDSUKCFYMNLUSI-OAHLLOKOSA-N 1 0 317.458 3.425 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)NCc1ccc(F)cc1 ZINC000172603813 198122565 /nfs/dbraw/zinc/12/25/65/198122565.db2.gz YTHVLCVCLOWLLO-VXGBXAGGSA-N 1 0 306.406 3.243 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3ccccc3)[nH]2)CC[N@@H+]1C ZINC000172618687 198125455 /nfs/dbraw/zinc/12/54/55/198125455.db2.gz UPNUPUPXOSVCJF-GDBMZVCRSA-N 1 0 311.429 3.236 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172951101 198170347 /nfs/dbraw/zinc/17/03/47/198170347.db2.gz CNGUWNFSLSBFQN-IYBDPMFKSA-N 1 0 300.446 3.338 10 0 DGAERO C[C@H](C[NH2+]Cc1ccc(Cn2cncn2)cc1)Cc1ccccc1 ZINC000182051578 199379412 /nfs/dbraw/zinc/37/94/12/199379412.db2.gz PSMAZBBCWXHLNP-KRWDZBQOSA-N 1 0 320.440 3.295 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1Cl ZINC000173385996 198209223 /nfs/dbraw/zinc/20/92/23/198209223.db2.gz RQWZPIYTEKCHMW-ZIAGYGMSSA-N 1 0 319.836 3.057 10 0 DGAERO CC(C)[C@H]([NH2+]CC1(O)CCOCC1)c1ccc(Cl)cc1F ZINC000182058235 199379693 /nfs/dbraw/zinc/37/96/93/199379693.db2.gz ZNKXUHSPXUGZTH-HNNXBMFYSA-N 1 0 315.816 3.307 10 0 DGAERO CSc1ccc(OCC[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000173653570 198236802 /nfs/dbraw/zinc/23/68/02/198236802.db2.gz WNJOSHOKGIIFLI-CQSZACIVSA-N 1 0 317.458 3.010 10 0 DGAERO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccnc1 ZINC000173904819 198266701 /nfs/dbraw/zinc/26/67/01/198266701.db2.gz RRPLCDITSJNMAM-MRXNPFEDSA-N 1 0 323.440 3.097 10 0 DGAERO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)cc1 ZINC000182059794 199381284 /nfs/dbraw/zinc/38/12/84/199381284.db2.gz IQJYXQYKZRDQFB-RDTXWAMCSA-N 1 0 305.466 3.272 10 0 DGAERO C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2nnc(C3CC3)n2C)C1 ZINC000173923260 198269244 /nfs/dbraw/zinc/26/92/44/198269244.db2.gz DQYHCTKWMZINFV-BLLLJJGKSA-N 1 0 314.408 3.415 10 0 DGAERO Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000174202517 198305533 /nfs/dbraw/zinc/30/55/33/198305533.db2.gz RYDGQMQLNUHZLU-GOOCMWNKSA-N 1 0 306.837 3.394 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2c(F)cc(F)cc2F)CC[N@@H+]1C ZINC000174254599 198311267 /nfs/dbraw/zinc/31/12/67/198311267.db2.gz JCYOFYICFIQGGN-KOLCDFICSA-N 1 0 315.339 3.050 10 0 DGAERO O=C(c1ccc2ncccc2c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107526009 432033145 /nfs/dbraw/zinc/03/31/45/432033145.db2.gz BWPYBNMKQBBCDV-SFHVURJKSA-N 1 0 323.440 3.325 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000174326108 198319748 /nfs/dbraw/zinc/31/97/48/198319748.db2.gz QAAFNXXZWDQCAV-NXEZZACHSA-N 1 0 315.339 3.050 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000174361432 198324513 /nfs/dbraw/zinc/32/45/13/198324513.db2.gz FXAFWJWWZSJYJT-CMPLNLGQSA-N 1 0 313.804 3.426 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000174382737 198327526 /nfs/dbraw/zinc/32/75/26/198327526.db2.gz RFNIVNOBXIZNGK-CMPLNLGQSA-N 1 0 313.804 3.426 10 0 DGAERO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000174468165 198338969 /nfs/dbraw/zinc/33/89/69/198338969.db2.gz NANXPQUEHBFGTR-NWDGAFQWSA-N 1 0 312.360 3.347 10 0 DGAERO Cc1ccccc1CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107530243 432033559 /nfs/dbraw/zinc/03/35/59/432033559.db2.gz OTSMVFXNGITYHR-GOSISDBHSA-N 1 0 300.446 3.014 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000174522566 198347174 /nfs/dbraw/zinc/34/71/74/198347174.db2.gz IIZLQVBKHPNOKD-DYVFJYSZSA-N 1 0 301.434 3.122 10 0 DGAERO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000182122945 199389044 /nfs/dbraw/zinc/38/90/44/199389044.db2.gz ZIOIGXFWZRTPRP-SUMWQHHRSA-N 1 0 310.388 3.262 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc2[nH]ccc2c1 ZINC000107564691 432033707 /nfs/dbraw/zinc/03/37/07/432033707.db2.gz ABZJLAOHDXDBLA-SFHVURJKSA-N 1 0 321.424 3.071 10 0 DGAERO COc1cccc(NC(=O)CC[N@H+](C)Cc2ccc(C)o2)c1 ZINC000174656910 198367084 /nfs/dbraw/zinc/36/70/84/198367084.db2.gz UWKMZNBLAUIAOE-UHFFFAOYSA-N 1 0 302.374 3.057 10 0 DGAERO COc1c(C)ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000174897327 198398344 /nfs/dbraw/zinc/39/83/44/198398344.db2.gz SPSFESHPFQIGEN-UKRRQHHQSA-N 1 0 319.449 3.258 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182168381 199397081 /nfs/dbraw/zinc/39/70/81/199397081.db2.gz ZDCUMAPJZNEMPU-JZXOWHBKSA-N 1 0 315.461 3.182 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)NCc1ccc(Cl)cn1 ZINC000182173866 199398546 /nfs/dbraw/zinc/39/85/46/199398546.db2.gz GLNNDLGVSOAJPP-UHFFFAOYSA-N 1 0 311.857 3.253 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)o1 ZINC000067707748 432035019 /nfs/dbraw/zinc/03/50/19/432035019.db2.gz QFPUANAZHXSRND-HIFRSBDPSA-N 1 0 307.438 3.069 10 0 DGAERO FC(F)(F)c1cccnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301375208 282927455 /nfs/dbraw/zinc/92/74/55/282927455.db2.gz RCLSOJVOAJLLBB-UHFFFAOYSA-N 1 0 313.367 3.413 10 0 DGAERO Cc1cc(C)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000175780284 198509448 /nfs/dbraw/zinc/50/94/48/198509448.db2.gz ORIIHCAQCBBLOD-UHFFFAOYSA-N 1 0 312.413 3.422 10 0 DGAERO COc1ccc(-c2cnc(C[N@H+](C)C[C@@H]3CCCOC3)o2)cc1 ZINC000107691988 432037173 /nfs/dbraw/zinc/03/71/73/432037173.db2.gz RODBSEOKIMBCII-AWEZNQCLSA-N 1 0 316.401 3.209 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1OCCC(C)C ZINC000236778559 202004494 /nfs/dbraw/zinc/00/44/94/202004494.db2.gz RTEWWFHDOHSUJE-HUUCEWRRSA-N 1 0 304.434 3.486 10 0 DGAERO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)cc1F ZINC000131772085 432038064 /nfs/dbraw/zinc/03/80/64/432038064.db2.gz DKRDHUKPPJMTAT-CYBMUJFWSA-N 1 0 324.827 3.345 10 0 DGAERO CCC[C@@H]1CCCN(C(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC000131955903 432043778 /nfs/dbraw/zinc/04/37/78/432043778.db2.gz BLNRMLCNGNXDRH-QGZVFWFLSA-N 1 0 309.498 3.330 10 0 DGAERO C[NH2+]C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000179140649 432045175 /nfs/dbraw/zinc/04/51/75/432045175.db2.gz HAZDGBPCKSSHFF-UHFFFAOYSA-N 1 0 308.425 3.029 10 0 DGAERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)C1CCC1 ZINC000073621077 191333389 /nfs/dbraw/zinc/33/33/89/191333389.db2.gz DOJFVLNJCMMWGL-UHFFFAOYSA-N 1 0 303.450 3.221 10 0 DGAERO C[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1[NH+]1CCCCC1 ZINC000073655100 191336051 /nfs/dbraw/zinc/33/60/51/191336051.db2.gz YVVMILIUYICIJG-WBVHZDCISA-N 1 0 302.418 3.382 10 0 DGAERO CCc1nc(-c2ccc(C)cc2)nc(N2CCC(C[NH3+])CC2)c1C ZINC000073684523 191342028 /nfs/dbraw/zinc/34/20/28/191342028.db2.gz VNWWHUHMGPRLSZ-UHFFFAOYSA-N 1 0 324.472 3.498 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)c2nc(C)sc2C)c1 ZINC000179207780 432050651 /nfs/dbraw/zinc/05/06/51/432050651.db2.gz DOXHHWUJOQURAK-UHFFFAOYSA-N 1 0 317.458 3.142 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(COC)c2)C1 ZINC000179214296 432051016 /nfs/dbraw/zinc/05/10/16/432051016.db2.gz CAPZSRCGVGJQCM-SFHVURJKSA-N 1 0 313.445 3.429 10 0 DGAERO COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000183930500 199651572 /nfs/dbraw/zinc/65/15/72/199651572.db2.gz BWCINTNFWPDBJR-ZDUSSCGKSA-N 1 0 322.449 3.367 10 0 DGAERO Cc1cc(F)cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000080307059 192023259 /nfs/dbraw/zinc/02/32/59/192023259.db2.gz GQBSZUTYQRZEHL-UHFFFAOYSA-N 1 0 318.367 3.265 10 0 DGAERO COCCO[C@H]1CCCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000179333360 432054422 /nfs/dbraw/zinc/05/44/22/432054422.db2.gz MJUKAHVGKPUEDC-ZDUSSCGKSA-N 1 0 312.479 3.068 10 0 DGAERO CC[C@H](CC(=O)NC[C@H](C)[NH+](CC)CC)c1ccc(OC)cc1 ZINC000132900474 432054467 /nfs/dbraw/zinc/05/44/67/432054467.db2.gz MSGDXZIQCJYRDE-JKSUJKDBSA-N 1 0 320.477 3.425 10 0 DGAERO CCC[C@@H](C(=O)Nc1ncc(Cc2ccccc2)s1)[NH+](C)C ZINC000179333028 432054741 /nfs/dbraw/zinc/05/47/41/432054741.db2.gz LHLCKHWWWFMMOF-HNNXBMFYSA-N 1 0 317.458 3.403 10 0 DGAERO CCOc1cc(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)ccc1C ZINC000081334406 192252488 /nfs/dbraw/zinc/25/24/88/192252488.db2.gz ZESOGFFPAAQSGV-MRXNPFEDSA-N 1 0 318.461 3.198 10 0 DGAERO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1cccnc1-n1cncn1 ZINC000179400725 432056282 /nfs/dbraw/zinc/05/62/82/432056282.db2.gz PGAQUDYNESPIGM-RHSMWYFYSA-N 1 0 319.412 3.309 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176438004 283167310 /nfs/dbraw/zinc/16/73/10/283167310.db2.gz CWIKKHLDJRGBRF-CQSZACIVSA-N 1 0 324.494 3.112 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166475048 432060698 /nfs/dbraw/zinc/06/06/98/432060698.db2.gz QRHCURBJYBFFOQ-QAPCUYQASA-N 1 0 312.461 3.302 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000237016651 202123450 /nfs/dbraw/zinc/12/34/50/202123450.db2.gz QIBADZNCDIGBIQ-BXKDBHETSA-N 1 0 322.459 3.001 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CCc1cccc(OC)c1 ZINC000237040159 202132982 /nfs/dbraw/zinc/13/29/82/202132982.db2.gz PITMWAWOOCQUII-UHFFFAOYSA-N 1 0 312.413 3.376 10 0 DGAERO COc1cccc(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)n1 ZINC000179510642 432061194 /nfs/dbraw/zinc/06/11/94/432061194.db2.gz IIYHVJQMVZXYDF-QGZVFWFLSA-N 1 0 316.376 3.111 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1 ZINC000166475738 432061298 /nfs/dbraw/zinc/06/12/98/432061298.db2.gz RDOAVTFWTOQLMJ-MJGOQNOKSA-N 1 0 312.461 3.438 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2cccc(N[C@H](C)C(C)C)c2C)CC1 ZINC000237095771 202152044 /nfs/dbraw/zinc/15/20/44/202152044.db2.gz DIPIQDAJABHROR-OAHLLOKOSA-N 1 0 317.477 3.275 10 0 DGAERO COc1c(C)cc(CN(C)C(=O)c2ccc(C[NH3+])cc2)cc1C ZINC000237128524 202160376 /nfs/dbraw/zinc/16/03/76/202160376.db2.gz IFOLBWNPUHXFSC-UHFFFAOYSA-N 1 0 312.413 3.043 10 0 DGAERO C[NH2+]C1CCN(C(=O)CCCc2csc3ccccc23)CC1 ZINC000237109246 202155559 /nfs/dbraw/zinc/15/55/59/202155559.db2.gz DFLLHVVOANKDFF-UHFFFAOYSA-N 1 0 316.470 3.434 10 0 DGAERO C[C@H]1CCC[C@H](C[N@H+](C)C2CCN(CCn3cccn3)CC2)C1 ZINC000133391068 432062804 /nfs/dbraw/zinc/06/28/04/432062804.db2.gz BROHPXFTOSNTND-ROUUACIJSA-N 1 0 318.509 3.106 10 0 DGAERO CCOCc1cc(CN(C)C[C@@H]2CCC[N@@H+]2CC)ccc1OC ZINC000179558313 432063074 /nfs/dbraw/zinc/06/30/74/432063074.db2.gz COECGTZZJGDXAL-SFHVURJKSA-N 1 0 320.477 3.148 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(C(C)(C)C)n1 ZINC000179568920 432063393 /nfs/dbraw/zinc/06/33/93/432063393.db2.gz UQFCDZVGJZGJRM-GFCCVEGCSA-N 1 0 303.372 3.492 10 0 DGAERO CC(C)Cc1ncc(CN2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000179648562 432066558 /nfs/dbraw/zinc/06/65/58/432066558.db2.gz GWHDEKKCVWEYLS-OAHLLOKOSA-N 1 0 307.507 3.402 10 0 DGAERO CCC[C@H](C)C[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000179686024 432067709 /nfs/dbraw/zinc/06/77/09/432067709.db2.gz KQRBKVDTIYOZBE-INIZCTEOSA-N 1 0 312.498 3.066 10 0 DGAERO Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000179685408 432067361 /nfs/dbraw/zinc/06/73/61/432067361.db2.gz QNCWSSBODVMWMA-UHFFFAOYSA-N 1 0 318.509 3.025 10 0 DGAERO C[NH2+][C@@H]1CCCN(C(=O)[C@H](Sc2ccccc2)C(C)C)C1 ZINC000133595858 432068278 /nfs/dbraw/zinc/06/82/78/432068278.db2.gz WCJWLIVXTZHVMX-GDBMZVCRSA-N 1 0 306.475 3.014 10 0 DGAERO CN1C[C@H]([NH2+][C@H](c2ccccc2F)C2CCCC2)CCC1=O ZINC000091344140 283246473 /nfs/dbraw/zinc/24/64/73/283246473.db2.gz RNVGMZOHZGAQFM-KDOFPFPSSA-N 1 0 304.409 3.267 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000494722337 535362001 /nfs/dbraw/zinc/36/20/01/535362001.db2.gz CYMWCIJFGRDPRW-DOTOQJQBSA-N 1 0 302.462 3.343 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)c1nc(C)sc1C)c1ccco1 ZINC000179256308 199005500 /nfs/dbraw/zinc/00/55/00/199005500.db2.gz BTGSOUAWNJJFSM-CYBMUJFWSA-N 1 0 321.446 3.166 10 0 DGAERO CCC[N@@H+](Cc1cccc(NC(C)=O)c1)C[C@@H]1CCCCO1 ZINC000106866622 283295246 /nfs/dbraw/zinc/29/52/46/283295246.db2.gz UUWJKGOPHIGNML-SFHVURJKSA-N 1 0 304.434 3.426 10 0 DGAERO Cc1cc(Cl)cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000134028361 432073335 /nfs/dbraw/zinc/07/33/35/432073335.db2.gz NFFNCMXMNAHNBL-XJKSGUPXSA-N 1 0 306.837 3.253 10 0 DGAERO CCC[C@H](C[NH+]1CCC(C(=O)N(C)C)CC1)c1ccccc1 ZINC000179590507 199060456 /nfs/dbraw/zinc/06/04/56/199060456.db2.gz PXIRGRZEKISPEP-GOSISDBHSA-N 1 0 302.462 3.371 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1cccc(OC(F)F)c1 ZINC000179596177 199061076 /nfs/dbraw/zinc/06/10/76/199061076.db2.gz SPZRSNLACRQTAK-DGCLKSJQSA-N 1 0 317.376 3.115 10 0 DGAERO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](O)COC(C)(C)C)cc1 ZINC000179533584 199051602 /nfs/dbraw/zinc/05/16/02/199051602.db2.gz NELQOTUKOHEYIC-HOCLYGCPSA-N 1 0 309.450 3.300 10 0 DGAERO COc1ccccc1/C=C/CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179645062 199069787 /nfs/dbraw/zinc/06/97/87/199069787.db2.gz MGQSEFQWLPZXJL-AHKGRUIUSA-N 1 0 300.446 3.269 10 0 DGAERO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@H]1CCCO1 ZINC000179978225 199101937 /nfs/dbraw/zinc/10/19/37/199101937.db2.gz AJVKDRKYHXQCPZ-LJQANCHMSA-N 1 0 312.413 3.271 10 0 DGAERO COc1ccc([C@@H](C)C[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000179981362 199102277 /nfs/dbraw/zinc/10/22/77/199102277.db2.gz BGPINUDMSLQBOT-HNNXBMFYSA-N 1 0 313.445 3.412 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(F)ccc3C)C2)n1 ZINC000180114937 199119306 /nfs/dbraw/zinc/11/93/06/199119306.db2.gz IVORTTQKLGIADX-INIZCTEOSA-N 1 0 316.424 3.255 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000180126423 199120548 /nfs/dbraw/zinc/12/05/48/199120548.db2.gz QSXKEVZPXJQRAX-GOSISDBHSA-N 1 0 321.428 3.246 10 0 DGAERO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2nn(C)cc2Br)C1 ZINC000393350967 293830544 /nfs/dbraw/zinc/83/05/44/293830544.db2.gz SSIHERXZTSYDOJ-PWSUYJOCSA-N 1 0 312.255 3.265 10 0 DGAERO O=C(CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1 ZINC000180146630 199123256 /nfs/dbraw/zinc/12/32/56/199123256.db2.gz DGJDCAJRJINNDT-MRXNPFEDSA-N 1 0 324.428 3.065 10 0 DGAERO Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000180148935 199123336 /nfs/dbraw/zinc/12/33/36/199123336.db2.gz LWYDHPKAZLTTNC-SJLPKXTDSA-N 1 0 314.454 3.161 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000180156939 199123907 /nfs/dbraw/zinc/12/39/07/199123907.db2.gz VNIBWNVXMYKEDB-OALUTQOASA-N 1 0 320.436 3.280 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000180527697 199171366 /nfs/dbraw/zinc/17/13/66/199171366.db2.gz XABSWMJDLUWMIV-UKRRQHHQSA-N 1 0 314.433 3.076 10 0 DGAERO CCOc1ccc([C@H](C)[NH2+]CCc2nc(C)no2)cc1OCC ZINC000180483693 199165006 /nfs/dbraw/zinc/16/50/06/199165006.db2.gz ZNIHJWQEYSBKDA-LBPRGKRZSA-N 1 0 319.405 3.069 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000170652073 432075583 /nfs/dbraw/zinc/07/55/83/432075583.db2.gz SQISTJMUBYMJFR-OAHLLOKOSA-N 1 0 306.475 3.289 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000180501209 199168549 /nfs/dbraw/zinc/16/85/49/199168549.db2.gz VNZXVIJRLXMZNT-KGLIPLIRSA-N 1 0 314.433 3.076 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(Cc2ccccc2)CCC1 ZINC000134350859 432076430 /nfs/dbraw/zinc/07/64/30/432076430.db2.gz KSXGMMZGVODEFX-FUHWJXTLSA-N 1 0 312.457 3.095 10 0 DGAERO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cccc2nccn21)c1ccccc1 ZINC000180666992 199193370 /nfs/dbraw/zinc/19/33/70/199193370.db2.gz UQHGTDSNRPDFIX-HKUYNNGSSA-N 1 0 321.424 3.422 10 0 DGAERO CCCc1csc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000180664421 199193507 /nfs/dbraw/zinc/19/35/07/199193507.db2.gz FFVAKEHJEJZBOL-DGCLKSJQSA-N 1 0 310.467 3.042 10 0 DGAERO O=C(NCCC[NH2+][C@@H]1CCc2cc(F)ccc21)c1cccs1 ZINC000180833248 199215377 /nfs/dbraw/zinc/21/53/77/199215377.db2.gz YXVBLRGMYJQUKT-OAHLLOKOSA-N 1 0 318.417 3.284 10 0 DGAERO O=C(NCCC[NH2+][C@H]1CCc2cc(F)ccc21)c1cccs1 ZINC000180833266 199215517 /nfs/dbraw/zinc/21/55/17/199215517.db2.gz YXVBLRGMYJQUKT-HNNXBMFYSA-N 1 0 318.417 3.284 10 0 DGAERO C[C@H]1CN(CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCO1 ZINC000180096484 432077879 /nfs/dbraw/zinc/07/78/79/432077879.db2.gz ZSBVTAMJQAAFCE-SUMWQHHRSA-N 1 0 308.853 3.101 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180100806 432078147 /nfs/dbraw/zinc/07/81/47/432078147.db2.gz AWUTUWSNWAOHPV-NSISKUIASA-N 1 0 322.452 3.427 10 0 DGAERO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000170748653 432078561 /nfs/dbraw/zinc/07/85/61/432078561.db2.gz VMARANUYJRXZEI-NSHDSACASA-N 1 0 310.854 3.218 10 0 DGAERO Cc1nc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2o1 ZINC000280756071 215844551 /nfs/dbraw/zinc/84/45/51/215844551.db2.gz IHMNILUTISSZKF-UHFFFAOYSA-N 1 0 315.417 3.132 10 0 DGAERO CSCCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180136224 432079368 /nfs/dbraw/zinc/07/93/68/432079368.db2.gz KRVXECPACBYXEJ-RDJZCZTQSA-N 1 0 306.475 3.081 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1 ZINC000180140077 432079458 /nfs/dbraw/zinc/07/94/58/432079458.db2.gz CZXKMQGTINRYQR-IRXDYDNUSA-N 1 0 316.351 3.140 10 0 DGAERO CS[C@@H]1CCCC[N@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000134588218 432080583 /nfs/dbraw/zinc/08/05/83/432080583.db2.gz TYDJKDKYRGRJLK-DOMZBBRYSA-N 1 0 301.402 3.216 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C12CCOCC2 ZINC000186276656 199938323 /nfs/dbraw/zinc/93/83/23/199938323.db2.gz HKEMQBJMUYQIIF-CVEARBPZSA-N 1 0 311.372 3.029 10 0 DGAERO CC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000170829202 432083160 /nfs/dbraw/zinc/08/31/60/432083160.db2.gz RZAZMCBLNLKNKK-CABCVRRESA-N 1 0 309.841 3.137 10 0 DGAERO c1c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032273 237019440 /nfs/dbraw/zinc/01/94/40/237019440.db2.gz AAQABOPCYMNSHJ-APWZRJJASA-N 1 0 310.445 3.041 10 0 DGAERO c1c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032275 237019977 /nfs/dbraw/zinc/01/99/77/237019977.db2.gz AAQABOPCYMNSHJ-LPHOPBHVSA-N 1 0 310.445 3.041 10 0 DGAERO Brc1ccc(C2([NH2+]Cc3cncnc3)CC2)cc1 ZINC000170823664 432083461 /nfs/dbraw/zinc/08/34/61/432083461.db2.gz AMCOAYYAUBSRKO-UHFFFAOYSA-N 1 0 304.191 3.018 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000186877509 200026331 /nfs/dbraw/zinc/02/63/31/200026331.db2.gz MTOFXOYEXNIMPX-YGRLFVJLSA-N 1 0 315.244 3.040 10 0 DGAERO c1ncn([C@@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)n1 ZINC000187188635 200074390 /nfs/dbraw/zinc/07/43/90/200074390.db2.gz VPKXPNZMZVSIOX-QGZVFWFLSA-N 1 0 314.433 3.164 10 0 DGAERO Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Cl ZINC000187055215 200054040 /nfs/dbraw/zinc/05/40/40/200054040.db2.gz GFOWBAOFYKOVEY-UKRRQHHQSA-N 1 0 323.868 3.273 10 0 DGAERO C[N@H+](Cc1cc(F)cc2c1OCOC2)CC1(O)CCCCCC1 ZINC000187364779 200102452 /nfs/dbraw/zinc/10/24/52/200102452.db2.gz YSDXEDPDIFSKIU-UHFFFAOYSA-N 1 0 323.408 3.209 10 0 DGAERO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H]2CCCOC2)o1 ZINC000187291962 200090459 /nfs/dbraw/zinc/09/04/59/200090459.db2.gz NOFVPNMBKAKEKD-ZDUSSCGKSA-N 1 0 315.369 3.002 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc2ccccc2c1 ZINC000170862869 432084562 /nfs/dbraw/zinc/08/45/62/432084562.db2.gz SENWUFQFLNKGLP-KDOFPFPSSA-N 1 0 311.429 3.246 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000187404107 200107230 /nfs/dbraw/zinc/10/72/30/200107230.db2.gz UINZCMJUMAJLDY-INIZCTEOSA-N 1 0 305.487 3.463 10 0 DGAERO CC1(C)C[C@@H]([NH2+]CC[C@H]2c3ccccc3NC2=O)C(C)(C)O1 ZINC000180388979 432085086 /nfs/dbraw/zinc/08/50/86/432085086.db2.gz JIYJYHMYCRVLJB-DZGCQCFKSA-N 1 0 302.418 3.048 10 0 DGAERO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000187702966 200147188 /nfs/dbraw/zinc/14/71/88/200147188.db2.gz RVVLHDOBSAMFNM-IEBWSBKVSA-N 1 0 300.446 3.099 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187774151 200155024 /nfs/dbraw/zinc/15/50/24/200155024.db2.gz QYATVQVPXXYUDG-PBHICJAKSA-N 1 0 316.424 3.102 10 0 DGAERO C[C@H](C(=O)N(C)Cc1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC000237549639 202279542 /nfs/dbraw/zinc/27/95/42/202279542.db2.gz VEYXWHVHUJDFFI-GUYCJALGSA-N 1 0 300.377 3.120 10 0 DGAERO COc1ccc(CC[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188075994 200190705 /nfs/dbraw/zinc/19/07/05/200190705.db2.gz GRXXDEBWJRGCNV-WMZOPIPTSA-N 1 0 317.454 3.007 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000188091723 200191920 /nfs/dbraw/zinc/19/19/20/200191920.db2.gz FHRCAWHCROMCAG-HIFRSBDPSA-N 1 0 307.401 3.383 10 0 DGAERO OC[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1c1ccsc1 ZINC000188133737 200199425 /nfs/dbraw/zinc/19/94/25/200199425.db2.gz WWZVBRZVTDJNBU-ROUUACIJSA-N 1 0 301.455 3.389 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1C ZINC000188326546 200228348 /nfs/dbraw/zinc/22/83/48/200228348.db2.gz ZVQAZIHCUQINJT-WBMJQRKESA-N 1 0 303.381 3.073 10 0 DGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccccc2)o1 ZINC000180422007 432085633 /nfs/dbraw/zinc/08/56/33/432085633.db2.gz CHUMQHACIQJYMJ-KGLIPLIRSA-N 1 0 314.385 3.158 10 0 DGAERO Cc1nc(-c2ccccc2)sc1CNC(=O)C1([NH3+])CCCC1 ZINC000237714376 202336973 /nfs/dbraw/zinc/33/69/73/202336973.db2.gz XHDDESMWBMRAJT-UHFFFAOYSA-N 1 0 315.442 3.006 10 0 DGAERO Cc1ccc(CNC(=O)C2([NH3+])CCCC2)c(OC(C)(C)C)c1 ZINC000237720197 202338880 /nfs/dbraw/zinc/33/88/80/202338880.db2.gz XOOQFEQYQVIQDV-UHFFFAOYSA-N 1 0 304.434 3.060 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000188383269 200237348 /nfs/dbraw/zinc/23/73/48/200237348.db2.gz PPDRWENXQAKXAW-GFCCVEGCSA-N 1 0 313.392 3.009 10 0 DGAERO Cc1ccc(-c2csc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)n2)cc1C ZINC000237741252 202344388 /nfs/dbraw/zinc/34/43/88/202344388.db2.gz LAZMXZFTDOAHLO-KGLIPLIRSA-N 1 0 315.442 3.493 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@H](O)CC2CCCC2)cc1OC ZINC000188631474 200277765 /nfs/dbraw/zinc/27/77/65/200277765.db2.gz MOSVLFCFBPRKOK-CZUORRHYSA-N 1 0 307.434 3.296 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCO[C@@H]1C)c1ccsc1 ZINC000188645182 200280783 /nfs/dbraw/zinc/28/07/83/200280783.db2.gz NFEKJBZQJWWZSI-VNQPRFMTSA-N 1 0 324.490 3.062 10 0 DGAERO CSCCCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000134831575 432087008 /nfs/dbraw/zinc/08/70/08/432087008.db2.gz ZTRQLMGTTAQYMH-MRXNPFEDSA-N 1 0 312.523 3.244 10 0 DGAERO O=C(C[C@H]1CCCN1CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000134846949 432086912 /nfs/dbraw/zinc/08/69/12/432086912.db2.gz JBALBGXQNSXHKV-GOSISDBHSA-N 1 0 318.436 3.349 10 0 DGAERO COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180486040 432087882 /nfs/dbraw/zinc/08/78/82/432087882.db2.gz RCXSNPOPUVZTEO-RBUKOAKNSA-N 1 0 320.477 3.093 10 0 DGAERO CCc1ccccc1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000188954346 200327644 /nfs/dbraw/zinc/32/76/44/200327644.db2.gz HVNAOVHNOMILCG-UHFFFAOYSA-N 1 0 310.445 3.140 10 0 DGAERO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189048855 200341204 /nfs/dbraw/zinc/34/12/04/200341204.db2.gz REYJZDPRFTYQMS-SUMWQHHRSA-N 1 0 304.409 3.095 10 0 DGAERO Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000134879614 432088027 /nfs/dbraw/zinc/08/80/27/432088027.db2.gz JHHQKZZOBHDBCL-MAUKXSAKSA-N 1 0 323.440 3.091 10 0 DGAERO CO[C@H]1C[N@H+](Cc2cccc(SC(=O)N(C)C)c2)CC[C@H]1C ZINC000189364298 200387789 /nfs/dbraw/zinc/38/77/89/200387789.db2.gz PTAIAIIXXAIMIP-CJNGLKHVSA-N 1 0 322.474 3.317 10 0 DGAERO CC(C)n1cc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cn1 ZINC000180523042 432089291 /nfs/dbraw/zinc/08/92/91/432089291.db2.gz ZZAGKMYWTZVZHT-ZIAGYGMSSA-N 1 0 324.469 3.418 10 0 DGAERO COC(C)(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000170968105 432089918 /nfs/dbraw/zinc/08/99/18/432089918.db2.gz FOGOTYFSQXUAMW-AWEZNQCLSA-N 1 0 324.490 3.062 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000134926661 432090187 /nfs/dbraw/zinc/09/01/87/432090187.db2.gz YJWUVUCSTSSMPA-ZIAGYGMSSA-N 1 0 303.454 3.272 10 0 DGAERO CSc1ccccc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000170973837 432090382 /nfs/dbraw/zinc/09/03/82/432090382.db2.gz FAPXIIKHBCXLKC-OAHLLOKOSA-N 1 0 318.486 3.499 10 0 DGAERO Cc1c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cnn1C(C)C ZINC000191161281 200637707 /nfs/dbraw/zinc/63/77/07/200637707.db2.gz DXYYVAOEUMKFBC-CQSZACIVSA-N 1 0 320.481 3.070 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](CCC3CCOCC3)C2)n2c1CCCC2 ZINC000433206378 238150891 /nfs/dbraw/zinc/15/08/91/238150891.db2.gz HMGZLPPBCLVMHT-QGZVFWFLSA-N 1 0 317.477 3.216 10 0 DGAERO CCOc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)ccc1OC(F)F ZINC000191756502 200758514 /nfs/dbraw/zinc/75/85/14/200758514.db2.gz TVHDZLBOUUONPW-AAEUAGOBSA-N 1 0 315.360 3.201 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000191756220 200758546 /nfs/dbraw/zinc/75/85/46/200758546.db2.gz MJYYHWRIPHAUAL-SMDDNHRTSA-N 1 0 303.324 3.142 10 0 DGAERO c1cc(-c2ccc(CN3CC[NH+](C4CCCCC4)CC3)o2)n[nH]1 ZINC000435127716 238277151 /nfs/dbraw/zinc/27/71/51/238277151.db2.gz AAIIYLPDGDINBD-UHFFFAOYSA-N 1 0 314.433 3.120 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc2cc(F)ccc2o1 ZINC000246082568 432093623 /nfs/dbraw/zinc/09/36/23/432093623.db2.gz MZVDEZCIKGLUCO-KGLIPLIRSA-N 1 0 303.381 3.026 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000180612454 432093741 /nfs/dbraw/zinc/09/37/41/432093741.db2.gz POMYAPNIQBKHBG-HIFRSBDPSA-N 1 0 316.836 3.086 10 0 DGAERO COc1cccc([C@@H]([NH2+][C@H](C)CO)c2ccccc2Cl)c1 ZINC000180651890 432095082 /nfs/dbraw/zinc/09/50/82/432095082.db2.gz NVRLJWZFQKMJBI-SJKOYZFVSA-N 1 0 305.805 3.408 10 0 DGAERO C[C@H]([NH3+])CCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000193224846 201009058 /nfs/dbraw/zinc/00/90/58/201009058.db2.gz MKXJCYXFBUNUBI-VIFPVBQESA-N 1 0 303.233 3.472 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1Cl ZINC000193732380 201113764 /nfs/dbraw/zinc/11/37/64/201113764.db2.gz QYICAZCPBGJBLK-OAHLLOKOSA-N 1 0 316.836 3.197 10 0 DGAERO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2cccnc2C)C1 ZINC000180720552 432097426 /nfs/dbraw/zinc/09/74/26/432097426.db2.gz CDFQFYDIGOOSON-MOPGFXCFSA-N 1 0 324.424 3.169 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000194337197 201206220 /nfs/dbraw/zinc/20/62/20/201206220.db2.gz VACHIRXSDFPEQC-HNNXBMFYSA-N 1 0 300.406 3.116 10 0 DGAERO CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246135196 432098095 /nfs/dbraw/zinc/09/80/95/432098095.db2.gz CXKFLZMSOUJGDC-ZWKOTPCHSA-N 1 0 300.446 3.123 10 0 DGAERO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000246125321 432098996 /nfs/dbraw/zinc/09/89/96/432098996.db2.gz ATVGHHYWXBYALG-QWHCGFSZSA-N 1 0 308.388 3.295 10 0 DGAERO O=C(C1CC[NH+](CCCCC(F)(F)F)CC1)N1CCCC1 ZINC000443639496 239220743 /nfs/dbraw/zinc/22/07/43/239220743.db2.gz OPFFPXPYFPAMHJ-UHFFFAOYSA-N 1 0 306.372 3.053 10 0 DGAERO CC(C)OC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000135123443 432099662 /nfs/dbraw/zinc/09/96/62/432099662.db2.gz QFYKWNQTFZOHNE-CRAIPNDOSA-N 1 0 318.461 3.166 10 0 DGAERO Cc1ccc(CC[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000195279200 201373410 /nfs/dbraw/zinc/37/34/10/201373410.db2.gz DKBMEPIPDSHVBK-OAQYLSRUSA-N 1 0 323.484 3.386 10 0 DGAERO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000444772548 239348586 /nfs/dbraw/zinc/34/85/86/239348586.db2.gz AWNCREYKAGAVHO-ZDUSSCGKSA-N 1 0 322.399 3.031 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000246491469 202596178 /nfs/dbraw/zinc/59/61/78/202596178.db2.gz DRLBNFNXPJYUDH-IRWJRLHMSA-N 1 0 302.418 3.253 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)Cc2cccs2)cc1 ZINC000071270632 283742614 /nfs/dbraw/zinc/74/26/14/283742614.db2.gz SLBLRDCUWPHQNF-CABCVRRESA-N 1 0 305.443 3.017 10 0 DGAERO CCCc1cnc(NC(=O)N2CCC([NH+]3CCCC3)CC2)s1 ZINC000180818681 432101246 /nfs/dbraw/zinc/10/12/46/432101246.db2.gz ACRSRTOLPUDGPC-UHFFFAOYSA-N 1 0 322.478 3.188 10 0 DGAERO Cc1cncc(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1 ZINC000189899967 432101485 /nfs/dbraw/zinc/10/14/85/432101485.db2.gz JSXTWUOTLXEHTM-KDOFPFPSSA-N 1 0 300.377 3.491 10 0 DGAERO COc1ccc(F)c(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000447150338 239609195 /nfs/dbraw/zinc/60/91/95/239609195.db2.gz IDHARKJFHCTWNJ-QWHCGFSZSA-N 1 0 323.412 3.219 10 0 DGAERO CC1(C)CCCN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000171100520 432102125 /nfs/dbraw/zinc/10/21/25/432102125.db2.gz FZKUYMQTHRTXQG-KRWDZBQOSA-N 1 0 315.461 3.408 10 0 DGAERO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189900838 432102013 /nfs/dbraw/zinc/10/20/13/432102013.db2.gz IDEYJIBZURGBOJ-OXQOHEQNSA-N 1 0 321.424 3.431 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1ccccc1F)CC2 ZINC000180856030 432102213 /nfs/dbraw/zinc/10/22/13/432102213.db2.gz FAUSWQNQPRGQDR-DOMZBBRYSA-N 1 0 302.397 3.035 10 0 DGAERO CC[NH+](CC)CCNC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000073416676 283773053 /nfs/dbraw/zinc/77/30/53/283773053.db2.gz NPQRTZOHEJHRTD-UHFFFAOYSA-N 1 0 321.465 3.466 10 0 DGAERO CC(C)(C)C1CCC(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000248597483 202748997 /nfs/dbraw/zinc/74/89/97/202748997.db2.gz IKDMZTWFTVDBLN-LZYVMWMOSA-N 1 0 306.494 3.425 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1cccs1 ZINC000171112131 432103660 /nfs/dbraw/zinc/10/36/60/432103660.db2.gz QWLCLGFYAMTHIA-SNVBAGLBSA-N 1 0 307.419 3.323 10 0 DGAERO c1c2cccnc2oc1C[NH2+]CCCN1CCc2ccccc2C1 ZINC000449068995 240000492 /nfs/dbraw/zinc/00/04/92/240000492.db2.gz DKEJQVUSTAKVID-UHFFFAOYSA-N 1 0 321.424 3.366 10 0 DGAERO CCN(CC)[C@@H](C[NH2+]Cc1cncnc1)c1ccccc1Cl ZINC000171126684 432103967 /nfs/dbraw/zinc/10/39/67/432103967.db2.gz KXVVOWIHAMUVRI-KRWDZBQOSA-N 1 0 318.852 3.303 10 0 DGAERO C[C@H](C[NH2+]CC(=O)NC1CCCCC1)c1cc(F)cc(F)c1 ZINC000449120445 240027444 /nfs/dbraw/zinc/02/74/44/240027444.db2.gz CZLHCTYMKBOMDZ-GFCCVEGCSA-N 1 0 310.388 3.107 10 0 DGAERO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCc2nccs2)CC1 ZINC000449084558 240009284 /nfs/dbraw/zinc/00/92/84/240009284.db2.gz IANCNPQYDKEKOO-HNNXBMFYSA-N 1 0 315.486 3.328 10 0 DGAERO Clc1cnn([C@H]2CC[N@H+](Cc3cc4cccnc4o3)C2)c1 ZINC000449336639 240139796 /nfs/dbraw/zinc/13/97/96/240139796.db2.gz OAKDNIXWTKLJMZ-ZDUSSCGKSA-N 1 0 302.765 3.125 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]CC[C@H]3CCc4ccccc43)cc2)n1 ZINC000449375530 240162873 /nfs/dbraw/zinc/16/28/73/240162873.db2.gz ITZOQYZLWMQQFU-GOSISDBHSA-N 1 0 318.424 3.477 10 0 DGAERO COCCOC1(C[NH2+][C@@H](C)CCC2CCCC2)CCOCC1 ZINC000449393508 240170732 /nfs/dbraw/zinc/17/07/32/240170732.db2.gz NGDPOCJIMLWHBO-INIZCTEOSA-N 1 0 313.482 3.147 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CCCSC2)sc1Br ZINC000449400306 240176124 /nfs/dbraw/zinc/17/61/24/240176124.db2.gz ICNHCIXSUPADJW-MRVPVSSYSA-N 1 0 307.282 3.199 10 0 DGAERO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)n1 ZINC000075775382 283825709 /nfs/dbraw/zinc/82/57/09/283825709.db2.gz YKLGSDWGLRHUGV-UHFFFAOYSA-N 1 0 323.440 3.224 10 0 DGAERO CC1(C)CCC[C@@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449487525 240238511 /nfs/dbraw/zinc/23/85/11/240238511.db2.gz YUZOLGWIOPEYQU-OAHLLOKOSA-N 1 0 309.475 3.396 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)ccc1Cl ZINC000180894925 432105137 /nfs/dbraw/zinc/10/51/37/432105137.db2.gz PQCZWJSIQVTGGN-OAHLLOKOSA-N 1 0 316.836 3.197 10 0 DGAERO CC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1nccs1 ZINC000189930887 432105337 /nfs/dbraw/zinc/10/53/37/432105337.db2.gz VFSPXRGXNMKXQM-MRVPVSSYSA-N 1 0 318.311 3.398 10 0 DGAERO CC(C)c1csc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000246197214 432105697 /nfs/dbraw/zinc/10/56/97/432105697.db2.gz ISTRHMRJGZMAAF-VXGBXAGGSA-N 1 0 310.467 3.117 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449687540 240372371 /nfs/dbraw/zinc/37/23/71/240372371.db2.gz PUIMVIPCHVZZAF-QGZVFWFLSA-N 1 0 315.442 3.208 10 0 DGAERO CN(C)C(=O)c1cccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246199399 432106151 /nfs/dbraw/zinc/10/61/51/432106151.db2.gz WSWMCXSTBQJUNH-IAGOWNOFSA-N 1 0 318.486 3.248 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000077204623 283847194 /nfs/dbraw/zinc/84/71/94/283847194.db2.gz HGULYHJBMNROMY-JSGCOSHPSA-N 1 0 303.324 3.226 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2nc3ccccc3n2C)c1 ZINC000091286911 193031190 /nfs/dbraw/zinc/03/11/90/193031190.db2.gz CWTTVUJXZWFUGW-AWEZNQCLSA-N 1 0 309.413 3.475 10 0 DGAERO CC(C)[C@H]([NH2+]CC1(CO)COC1)c1ccc(Cl)c(Cl)c1 ZINC000091401092 193049983 /nfs/dbraw/zinc/04/99/83/193049983.db2.gz NMKQVNUSTOHVGR-AWEZNQCLSA-N 1 0 318.244 3.289 10 0 DGAERO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)NCC(F)(F)F ZINC000171127785 432106480 /nfs/dbraw/zinc/10/64/80/432106480.db2.gz UHMKHAWPLIIJCA-ZDUSSCGKSA-N 1 0 320.742 3.059 10 0 DGAERO C[C@@H]([NH2+]CC1CCC(C)(C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091407511 193051449 /nfs/dbraw/zinc/05/14/49/193051449.db2.gz MUFSJEHAGFQAJN-CYBMUJFWSA-N 1 0 324.490 3.201 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(F)c(Cl)cc1Cl ZINC000091666977 193088370 /nfs/dbraw/zinc/08/83/70/193088370.db2.gz QNNWFXJDDNBSDV-VHSXEESVSA-N 1 0 321.223 3.114 10 0 DGAERO C[NH+](C)C1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000091670932 193089607 /nfs/dbraw/zinc/08/96/07/193089607.db2.gz XMOMSQYDVDRGQU-UHFFFAOYSA-N 1 0 307.488 3.398 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2nccs2)C1 ZINC000091736142 193098680 /nfs/dbraw/zinc/09/86/80/193098680.db2.gz JTHNRWGHKSQQJK-STQMWFEESA-N 1 0 303.431 3.081 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1nccs1 ZINC000091736249 193099090 /nfs/dbraw/zinc/09/90/90/193099090.db2.gz WMTRVTUMEGMZCS-WDEREUQCSA-N 1 0 308.838 3.121 10 0 DGAERO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cnccn1 ZINC000091739245 193100189 /nfs/dbraw/zinc/10/01/89/193100189.db2.gz AOFJFQHDSNXEMQ-LBPRGKRZSA-N 1 0 312.348 3.164 10 0 DGAERO COC[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000091739768 193100536 /nfs/dbraw/zinc/10/05/36/193100536.db2.gz VFWKRQCSZZQQEM-MRXNPFEDSA-N 1 0 304.365 3.038 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000078537019 283866641 /nfs/dbraw/zinc/86/66/41/283866641.db2.gz HLVAYLUOSOXJDI-HOTGVXAUSA-N 1 0 303.450 3.230 10 0 DGAERO CC(C)Cc1ncc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000092043725 193146773 /nfs/dbraw/zinc/14/67/73/193146773.db2.gz KKOHSBQKSXBOMD-ZBFHGGJFSA-N 1 0 307.507 3.258 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000079495337 283881003 /nfs/dbraw/zinc/88/10/03/283881003.db2.gz MGLBTSVWTNWGQC-AEFFLSMTSA-N 1 0 317.477 3.292 10 0 DGAERO C[C@@]1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]1 ZINC000079515145 283881939 /nfs/dbraw/zinc/88/19/39/283881939.db2.gz AQGXDWFFBULFJY-WFASDCNBSA-N 1 0 310.850 3.135 10 0 DGAERO CC1CC[NH+](CC(=O)N2CCc3c(Cl)cc(F)cc3C2)CC1 ZINC000452318285 241383970 /nfs/dbraw/zinc/38/39/70/241383970.db2.gz KECWTRPDVQGMDC-UHFFFAOYSA-N 1 0 324.827 3.096 10 0 DGAERO Cc1cc(Cl)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1C ZINC000180986802 432110161 /nfs/dbraw/zinc/11/01/61/432110161.db2.gz JHWOKTNFYBYCIH-BBRMVZONSA-N 1 0 308.853 3.415 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCO[C@H](C)CC(C)C)[C@@H](C)C1 ZINC000246230525 432110501 /nfs/dbraw/zinc/11/05/01/432110501.db2.gz XEODTAPLZMOKMW-BBWFWOEESA-N 1 0 312.498 3.016 10 0 DGAERO CCN(CCC[NH2+][C@H](C)C1(OC)CCOCC1)c1ccccc1 ZINC000453082087 241617825 /nfs/dbraw/zinc/61/78/25/241617825.db2.gz KTOXDAFHUCDGQU-QGZVFWFLSA-N 1 0 320.477 3.077 10 0 DGAERO Cc1cc(C[NH2+]CC2(CCO)CC2)ccc1Oc1cccnc1 ZINC000189998941 432111269 /nfs/dbraw/zinc/11/12/69/432111269.db2.gz HEUCXLVVUKENBX-UHFFFAOYSA-N 1 0 312.413 3.435 10 0 DGAERO CC(C)[C@H](O)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000246243143 432111894 /nfs/dbraw/zinc/11/18/94/432111894.db2.gz IEJQSTMDRNKQNL-CRAIPNDOSA-N 1 0 318.461 3.407 10 0 DGAERO O=C(NCC1CC[NH+](C2CC2)CC1)NCC1CCCCCC1 ZINC000454887910 242057509 /nfs/dbraw/zinc/05/75/09/242057509.db2.gz JHYYMBKOFRVZRB-UHFFFAOYSA-N 1 0 307.482 3.130 10 0 DGAERO O=C(NCCCCC[NH+]1CCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000455117614 242112047 /nfs/dbraw/zinc/11/20/47/242112047.db2.gz OAZREMMRPNPBFM-IRXDYDNUSA-N 1 0 307.482 3.084 10 0 DGAERO CCc1nc(C)c(NC(=O)NCCCC[N@H+](C)C2CC2)s1 ZINC000455207601 242134212 /nfs/dbraw/zinc/13/42/12/242134212.db2.gz QSVOTJRUTFLBJE-UHFFFAOYSA-N 1 0 310.467 3.010 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000455285926 242158726 /nfs/dbraw/zinc/15/87/26/242158726.db2.gz SEQBQZISJWYNBS-IVMMDQJWSA-N 1 0 321.490 3.229 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000455608111 242245790 /nfs/dbraw/zinc/24/57/90/242245790.db2.gz JLVSYYZENYOGSG-MRXNPFEDSA-N 1 0 317.477 3.272 10 0 DGAERO CC(C)c1ccc(/C=C/CC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000456159690 242363586 /nfs/dbraw/zinc/36/35/86/242363586.db2.gz FVQIZORSTWTIHM-WWAPKCSDSA-N 1 0 312.457 3.376 10 0 DGAERO CC(C)COCCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456261428 242392451 /nfs/dbraw/zinc/39/24/51/242392451.db2.gz FUVDMILEACLUIQ-QGZVFWFLSA-N 1 0 304.434 3.237 10 0 DGAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000092096540 193157100 /nfs/dbraw/zinc/15/71/00/193157100.db2.gz GUEYFOUYSWSSRR-HNNXBMFYSA-N 1 0 318.417 3.265 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000090916620 283995905 /nfs/dbraw/zinc/99/59/05/283995905.db2.gz WLCBCDAHBRYUFL-IXDOHACOSA-N 1 0 310.869 3.346 10 0 DGAERO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091319139 283999820 /nfs/dbraw/zinc/99/98/20/283999820.db2.gz CRTVTAQVHSFUCI-YSVLISHTSA-N 1 0 324.490 3.344 10 0 DGAERO CC(C)c1ccc(/C=C/CC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000457362413 242731806 /nfs/dbraw/zinc/73/18/06/242731806.db2.gz JIRBDOHMURHQGQ-ONEGZZNKSA-N 1 0 300.446 3.411 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H]1CCCc1ccccc1)CS(C)(=O)=O ZINC000135366381 432115864 /nfs/dbraw/zinc/11/58/64/432115864.db2.gz FSJXKIMBMRAECA-WMZOPIPTSA-N 1 0 323.502 3.154 10 0 DGAERO COc1ccc(CC2CC[NH+](Cc3ccc(CO)o3)CC2)cc1 ZINC000092781415 284008721 /nfs/dbraw/zinc/00/87/21/284008721.db2.gz RYQMEIKCQRYDIY-UHFFFAOYSA-N 1 0 315.413 3.235 10 0 DGAERO CC(C)N1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000094015399 284015413 /nfs/dbraw/zinc/01/54/13/284015413.db2.gz XTPJQLABJSNBTD-OTBWCIGPSA-N 1 0 324.509 3.205 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246298716 432116404 /nfs/dbraw/zinc/11/64/04/432116404.db2.gz AIEBBWPKRKDCQR-XJKSGUPXSA-N 1 0 323.868 3.212 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCOc2ccccc2C)C1 ZINC000101563064 284018288 /nfs/dbraw/zinc/01/82/88/284018288.db2.gz AAVKAQGCWPHXHL-QGZVFWFLSA-N 1 0 318.461 3.145 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccccc3C2)cc1 ZINC000102686416 284023146 /nfs/dbraw/zinc/02/31/46/284023146.db2.gz ONGZNNAIONNEHA-INIZCTEOSA-N 1 0 322.452 3.485 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C)cc1F ZINC000102698589 284023344 /nfs/dbraw/zinc/02/33/44/284023344.db2.gz JSAULEUXSJUKBM-ZDUSSCGKSA-N 1 0 316.376 3.432 10 0 DGAERO COc1ccccc1CC[N@H+](C)Cc1cn2cc(C)ccc2n1 ZINC000104962715 284037707 /nfs/dbraw/zinc/03/77/07/284037707.db2.gz QENQJKJOYIGRQL-UHFFFAOYSA-N 1 0 309.413 3.326 10 0 DGAERO Cc1ccc(C)c(OCC[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000106185522 284043450 /nfs/dbraw/zinc/04/34/50/284043450.db2.gz MIMYAYBCAOONKT-UHFFFAOYSA-N 1 0 313.445 3.291 10 0 DGAERO CC(C)[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1cccc(Cl)c1 ZINC000249839850 202814709 /nfs/dbraw/zinc/81/47/09/202814709.db2.gz FVNPTNBVPQOYQN-KCXAZCMYSA-N 1 0 308.853 3.194 10 0 DGAERO CSC[C@@H]1CCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000135418847 432117327 /nfs/dbraw/zinc/11/73/27/432117327.db2.gz VTPRWRVFHCBCFS-INIZCTEOSA-N 1 0 305.422 3.339 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000249960327 202817931 /nfs/dbraw/zinc/81/79/31/202817931.db2.gz JNCKLBVWFZEXSU-MAAHGYRXSA-N 1 0 308.425 3.058 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1Cl ZINC000250900394 202824586 /nfs/dbraw/zinc/82/45/86/202824586.db2.gz NBZLNUCNORFXGX-OJDYBEQGSA-N 1 0 306.837 3.438 10 0 DGAERO C[N@H+](CCCCNC(=O)N1CC2(CC2)c2ccccc21)C1CC1 ZINC000459134709 243258842 /nfs/dbraw/zinc/25/88/42/243258842.db2.gz DKUQWCTXUUDSMO-UHFFFAOYSA-N 1 0 313.445 3.122 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2Cc2ccccc2)C1 ZINC000108331712 284059875 /nfs/dbraw/zinc/05/98/75/284059875.db2.gz MYUVRIBQUYFDDL-SFHVURJKSA-N 1 0 322.452 3.349 10 0 DGAERO CCn1nncc1CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000459278720 243313433 /nfs/dbraw/zinc/31/34/33/243313433.db2.gz KKSKXTDWKPGMRF-WBMJQRKESA-N 1 0 300.406 3.179 10 0 DGAERO CCn1nncc1C[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000459352462 243347012 /nfs/dbraw/zinc/34/70/12/243347012.db2.gz XXDKPDVDVZTIDI-UHFFFAOYSA-N 1 0 316.424 3.424 10 0 DGAERO c1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@@]4(CCCOC4)C3)C2)cc1 ZINC000459358634 243349119 /nfs/dbraw/zinc/34/91/19/243349119.db2.gz MWFSMCIUJJYCIL-WOJBJXKFSA-N 1 0 314.473 3.154 10 0 DGAERO CCn1nncc1CN1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000459379924 243354534 /nfs/dbraw/zinc/35/45/34/243354534.db2.gz PUVLVPKOZBGKCL-UHFFFAOYSA-N 1 0 321.428 3.377 10 0 DGAERO c1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@@H](OCC4CC4)C3)C2)cc1 ZINC000459422651 243363204 /nfs/dbraw/zinc/36/32/04/243363204.db2.gz GDOKOZPAURZQPF-WOJBJXKFSA-N 1 0 314.473 3.152 10 0 DGAERO CCn1nncc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000459428899 243367193 /nfs/dbraw/zinc/36/71/93/243367193.db2.gz OUFHDEHCCTZADQ-QRVBRYPASA-N 1 0 310.445 3.456 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000111748779 284081479 /nfs/dbraw/zinc/08/14/79/284081479.db2.gz FRHZBHUYWHGJSQ-AWEZNQCLSA-N 1 0 319.449 3.388 10 0 DGAERO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1 ZINC000092752134 193188500 /nfs/dbraw/zinc/18/85/00/193188500.db2.gz GAVWDECFGIRHFG-RKLWJJNISA-N 1 0 324.490 3.105 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCC(C)(C)C2)c1 ZINC000112746923 284096012 /nfs/dbraw/zinc/09/60/12/284096012.db2.gz VZLWMZKBZTXCKI-UHFFFAOYSA-N 1 0 317.477 3.470 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113618934 284103105 /nfs/dbraw/zinc/10/31/05/284103105.db2.gz MTTCVGOOEIEPLQ-BQFCYCMXSA-N 1 0 315.461 3.243 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000465983144 243883450 /nfs/dbraw/zinc/88/34/50/243883450.db2.gz BRGHFMTWOGYNHI-HUUCEWRRSA-N 1 0 309.498 3.232 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)CC[NH2+]1 ZINC000261549613 203074893 /nfs/dbraw/zinc/07/48/93/203074893.db2.gz KRULUXQZAHAUJA-QAPCUYQASA-N 1 0 324.424 3.136 10 0 DGAERO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)o1 ZINC000093011810 193193273 /nfs/dbraw/zinc/19/32/73/193193273.db2.gz QEPKLKNXWDQYHS-JFIYKMOQSA-N 1 0 318.461 3.090 10 0 DGAERO CC(C)C[C@H](CNC(=O)Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC000468244977 244032223 /nfs/dbraw/zinc/03/22/23/244032223.db2.gz FJFHBPICPGOPMG-CYBMUJFWSA-N 1 0 314.832 3.114 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000115861164 284117376 /nfs/dbraw/zinc/11/73/76/284117376.db2.gz HOPSARQOOPRADK-BHYGNILZSA-N 1 0 315.461 3.243 10 0 DGAERO CCC[C@H]1CN(C(=O)[C@@H]2CCCCC2(C)C)CC[N@@H+]1CCOC ZINC000469265798 244093462 /nfs/dbraw/zinc/09/34/62/244093462.db2.gz ORSKNWLNVJOMJM-IRXDYDNUSA-N 1 0 324.509 3.162 10 0 DGAERO C[N@H+](CCOCC(F)(F)C(F)(F)F)C[C@H]1CC=CCC1 ZINC000469771864 244123412 /nfs/dbraw/zinc/12/34/12/244123412.db2.gz GSVZPHUPOXQUQQ-NSHDSACASA-N 1 0 301.299 3.489 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C(C)C)C(F)(F)F)C[C@H]1C ZINC000470455280 244172090 /nfs/dbraw/zinc/17/20/90/244172090.db2.gz HEFZLQIMZLKPMH-UPJWGTAASA-N 1 0 323.403 3.088 10 0 DGAERO CC(C)C[C@@H](C)[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000470360519 244168661 /nfs/dbraw/zinc/16/86/61/244168661.db2.gz CKNTXGHAGIFAIV-DGCLKSJQSA-N 1 0 303.368 3.279 10 0 DGAERO C[C@H](NC(=O)C[N@@H+]1CCC12CCC2)c1ccc2c(c1)CCCC2 ZINC000471039581 244201161 /nfs/dbraw/zinc/20/11/61/244201161.db2.gz WBYDIIXTFOLPJQ-HNNXBMFYSA-N 1 0 312.457 3.371 10 0 DGAERO CC(C)[C@H](C)N(C(=O)NC1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000119019579 284132326 /nfs/dbraw/zinc/13/23/26/284132326.db2.gz HVYFEMVDZFSIAD-FHERZECASA-N 1 0 309.498 3.325 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000471791311 244245133 /nfs/dbraw/zinc/24/51/33/244245133.db2.gz WORKKFOEDFURAI-LSDHHAIUSA-N 1 0 310.388 3.091 10 0 DGAERO Cn1cccc1[C@H]1CCCC[N@@H+]1CC[S@](=O)c1ccccc1 ZINC000472331429 244297655 /nfs/dbraw/zinc/29/76/55/244297655.db2.gz XTYAZAGKLZKIBI-GCJKJVERSA-N 1 0 316.470 3.360 10 0 DGAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccs1 ZINC000246332017 432119908 /nfs/dbraw/zinc/11/99/08/432119908.db2.gz BACZREAEJGPKAF-KBPBESRZSA-N 1 0 307.463 3.079 10 0 DGAERO CC[C@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@@H]1c1ccccc1 ZINC000472234958 244291097 /nfs/dbraw/zinc/29/10/97/244291097.db2.gz ZIMAFSOMSYHDIW-HKUYNNGSSA-N 1 0 314.473 3.371 10 0 DGAERO Cc1cc([C@H](NC(=O)c2ccc(C[NH3+])cc2)C2CC2)ccc1F ZINC000262335581 203265801 /nfs/dbraw/zinc/26/58/01/203265801.db2.gz WALXKTQPYRGMDM-GOSISDBHSA-N 1 0 312.388 3.474 10 0 DGAERO C[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000262428912 203293102 /nfs/dbraw/zinc/29/31/02/203293102.db2.gz RIVRRMRKTOBSOB-QWRGUYRKSA-N 1 0 315.244 3.040 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3ncccc3C)C2)c1 ZINC000093188373 193211766 /nfs/dbraw/zinc/21/17/66/193211766.db2.gz KOCDVYRHFCCTLL-HNNXBMFYSA-N 1 0 312.413 3.397 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000119703427 284149301 /nfs/dbraw/zinc/14/93/01/284149301.db2.gz SFRMULWTHXFXBA-WMLDXEAASA-N 1 0 318.461 3.210 10 0 DGAERO CCCOc1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000119603764 284146711 /nfs/dbraw/zinc/14/67/11/284146711.db2.gz WSLBNDLMNSZXTE-YOEHRIQHSA-N 1 0 319.449 3.326 10 0 DGAERO CC(C)N(C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119598711 284146728 /nfs/dbraw/zinc/14/67/28/284146728.db2.gz SDGMVAJCQLKDHK-GOSISDBHSA-N 1 0 303.450 3.091 10 0 DGAERO CCOc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000093644247 193280127 /nfs/dbraw/zinc/28/01/27/193280127.db2.gz LAFXZJDQGRBXJA-GDBMZVCRSA-N 1 0 306.450 3.008 10 0 DGAERO CCc1oc2ccccc2c1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611816 193274018 /nfs/dbraw/zinc/27/40/18/193274018.db2.gz GZJNCZCCDCSEBV-OAHLLOKOSA-N 1 0 313.319 3.494 10 0 DGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C(N)=O)cs2)C12CCCC2 ZINC000093611144 193274736 /nfs/dbraw/zinc/27/47/36/193274736.db2.gz LZSOUIFKQJYDAX-HUUCEWRRSA-N 1 0 322.474 3.017 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C/C=C/c2ccccc2OC)C1 ZINC000093693383 193290917 /nfs/dbraw/zinc/29/09/17/193290917.db2.gz LHQLRGGKNVLCDL-VMSUTVGLSA-N 1 0 302.462 3.372 10 0 DGAERO CC(C)[C@@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181278132 432120810 /nfs/dbraw/zinc/12/08/10/432120810.db2.gz NBNVQIBCLWALCK-SNVBAGLBSA-N 1 0 323.238 3.368 10 0 DGAERO c1c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)[nH]nc1-c1ccccc1 ZINC000093683911 193288210 /nfs/dbraw/zinc/28/82/10/193288210.db2.gz WIGLJVSRRHFBHW-KRWDZBQOSA-N 1 0 324.472 3.385 10 0 DGAERO CN(CC(=O)NC(C)(C)C)Cc1cccc(OC2CCCC2)c1 ZINC000120656850 284174785 /nfs/dbraw/zinc/17/47/85/284174785.db2.gz GPMROLVIXMNVFJ-UHFFFAOYSA-N 1 0 318.461 3.355 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093945886 193331182 /nfs/dbraw/zinc/33/11/82/193331182.db2.gz MQDLAZGZOSFWKI-KGLIPLIRSA-N 1 0 314.477 3.385 10 0 DGAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000093945812 193331547 /nfs/dbraw/zinc/33/15/47/193331547.db2.gz GCQJNWIMQPZURK-KONPQCLYSA-N 1 0 304.482 3.193 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000120862546 284180348 /nfs/dbraw/zinc/18/03/48/284180348.db2.gz ANXAENFTRCTKHB-WFASDCNBSA-N 1 0 309.841 3.499 10 0 DGAERO CC[C@@H]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000120779389 284178253 /nfs/dbraw/zinc/17/82/53/284178253.db2.gz QFQQPWRTWTVZTN-VXLLPVPCSA-N 1 0 309.498 3.375 10 0 DGAERO O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262230117 284180883 /nfs/dbraw/zinc/18/08/83/284180883.db2.gz QGWNUIXCKDHVTM-UKTARXLSSA-N 1 0 318.383 3.004 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)cc1F ZINC000120905483 284181256 /nfs/dbraw/zinc/18/12/56/284181256.db2.gz BYOHBTATYNGVGM-ZBFHGGJFSA-N 1 0 303.377 3.225 10 0 DGAERO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480708074 244725381 /nfs/dbraw/zinc/72/53/81/244725381.db2.gz RNTUAXHCGFOAOD-FUHWJXTLSA-N 1 0 317.477 3.367 10 0 DGAERO CCC(C)(CC)NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000121006999 284184934 /nfs/dbraw/zinc/18/49/34/284184934.db2.gz NBSRPEXLTYUZHG-INIZCTEOSA-N 1 0 321.465 3.176 10 0 DGAERO CC[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246342433 432121346 /nfs/dbraw/zinc/12/13/46/432121346.db2.gz CBPJLVQLSSDAAK-AEFFLSMTSA-N 1 0 315.461 3.060 10 0 DGAERO CCc1ccccc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000121035480 284185855 /nfs/dbraw/zinc/18/58/55/284185855.db2.gz KKRVVBYKYRGPEL-KRWDZBQOSA-N 1 0 300.446 3.340 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2)cc1F ZINC000122026294 284211683 /nfs/dbraw/zinc/21/16/83/284211683.db2.gz RTNRBXGFVCJTFK-CQSZACIVSA-N 1 0 300.377 3.101 10 0 DGAERO Cc1ccc([C@@H](C)C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000487332158 245052536 /nfs/dbraw/zinc/05/25/36/245052536.db2.gz ZISXTGMMUCWBBA-LBPRGKRZSA-N 1 0 322.250 3.384 10 0 DGAERO CC[C@H](C)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000487926195 245123071 /nfs/dbraw/zinc/12/30/71/245123071.db2.gz QCGXNOMVWSGKJA-YJBOKZPZSA-N 1 0 303.450 3.139 10 0 DGAERO CCOc1cc2c(cc1OCC)C[N@H+](C[C@](C)(O)CC)CC2 ZINC000123227165 284234374 /nfs/dbraw/zinc/23/43/74/284234374.db2.gz GFEZSMFDQBDDOB-GOSISDBHSA-N 1 0 307.434 3.003 10 0 DGAERO Cc1cncc(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000123213606 284234347 /nfs/dbraw/zinc/23/43/47/284234347.db2.gz OIMFZFNAEJPVSO-HNNXBMFYSA-N 1 0 319.449 3.127 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000123293732 284235663 /nfs/dbraw/zinc/23/56/63/284235663.db2.gz MOOANJVHFKCYMD-NEPJUHHUSA-N 1 0 317.260 3.365 10 0 DGAERO C[C@@H]1[C@H](CO)CC[N@@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000488809066 245236880 /nfs/dbraw/zinc/23/68/80/245236880.db2.gz SMEODCRAAXEHIP-CVEARBPZSA-N 1 0 305.462 3.456 10 0 DGAERO O=C(N[C@@H]1CCCC(F)(F)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000488984883 245258596 /nfs/dbraw/zinc/25/85/96/245258596.db2.gz QLCRGEMYASXZMX-CVEARBPZSA-N 1 0 322.399 3.345 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCc1cccs1 ZINC000124177480 284254335 /nfs/dbraw/zinc/25/43/35/284254335.db2.gz TYSYYSRUKPMAQY-OAHLLOKOSA-N 1 0 323.506 3.052 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C3CCC3)cc2)C1 ZINC000489810916 245349957 /nfs/dbraw/zinc/34/99/57/245349957.db2.gz XQGZVYGXMAFPTO-AWEZNQCLSA-N 1 0 301.434 3.417 10 0 DGAERO CC(C)C[C@@H](C[NH3+])Nc1ccnc2cc(Br)cnc21 ZINC000135530109 432124108 /nfs/dbraw/zinc/12/41/08/432124108.db2.gz LNBGVYNNWGJOOK-NSHDSACASA-N 1 0 323.238 3.178 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cc(Cl)sc1Cl ZINC000282464156 217015218 /nfs/dbraw/zinc/01/52/18/217015218.db2.gz VVXWMKCFPVALID-ZKWXMUAHSA-N 1 0 307.246 3.373 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000124830175 284265159 /nfs/dbraw/zinc/26/51/59/284265159.db2.gz KKQUXFKEKNUPNX-ZWKOTPCHSA-N 1 0 317.477 3.162 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cc(Cl)sc1Cl ZINC000282464155 217014857 /nfs/dbraw/zinc/01/48/57/217014857.db2.gz VVXWMKCFPVALID-OOZYFLPDSA-N 1 0 307.246 3.373 10 0 DGAERO CCCOc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000124885287 284265953 /nfs/dbraw/zinc/26/59/53/284265953.db2.gz TYUJSVDHWJRBSW-YOEHRIQHSA-N 1 0 319.449 3.326 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]3CCC[C@H]32)CC1 ZINC000125092628 284269579 /nfs/dbraw/zinc/26/95/79/284269579.db2.gz WERJHGWDAFGMFO-MNAZLIDISA-N 1 0 307.482 3.081 10 0 DGAERO Cc1cccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1Cl ZINC000125237849 284271847 /nfs/dbraw/zinc/27/18/47/284271847.db2.gz VBUKAGWZAJPXQS-GXTWGEPZSA-N 1 0 309.841 3.499 10 0 DGAERO CCCCc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000125491577 284277149 /nfs/dbraw/zinc/27/71/49/284277149.db2.gz ZRWLADUMWHBEPE-APWZRJJASA-N 1 0 305.462 3.469 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000125386179 284274653 /nfs/dbraw/zinc/27/46/53/284274653.db2.gz VWOFVJIOEJDRRK-VMWRSERWSA-N 1 0 321.509 3.471 10 0 DGAERO CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246377024 432124770 /nfs/dbraw/zinc/12/47/70/432124770.db2.gz QNAFNDWFRLPAKL-VVLHAWIVSA-N 1 0 309.498 3.325 10 0 DGAERO c1ccc2c(c1)cccc2OCCC[NH+]1CCN(C2CC2)CC1 ZINC000125796088 284284413 /nfs/dbraw/zinc/28/44/13/284284413.db2.gz KKBNBJXPPYPZOA-UHFFFAOYSA-N 1 0 310.441 3.389 10 0 DGAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000282518593 217057382 /nfs/dbraw/zinc/05/73/82/217057382.db2.gz ZNYOLIRYJDYTBU-TVYUQYBPSA-N 1 0 310.850 3.134 10 0 DGAERO Cc1cc(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1C1CC1 ZINC000246383864 432125864 /nfs/dbraw/zinc/12/58/64/432125864.db2.gz RUBBGFJOYRFMDR-SUMWQHHRSA-N 1 0 317.477 3.037 10 0 DGAERO C[C@@H](C[NH2+][C@@H](CC1CCC1)c1ccccc1)CS(C)(=O)=O ZINC000181358170 432126045 /nfs/dbraw/zinc/12/60/45/432126045.db2.gz LHAANPLESFOQPU-YOEHRIQHSA-N 1 0 309.475 3.188 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246407347 432126945 /nfs/dbraw/zinc/12/69/45/432126945.db2.gz LTOBIUXAVPEHJW-ZBFHGGJFSA-N 1 0 319.449 3.244 10 0 DGAERO C[N@@H+]1CCC[C@H](CNCc2ccc(Br)c(F)c2)C1 ZINC000127456209 284340439 /nfs/dbraw/zinc/34/04/39/284340439.db2.gz WYOHXLHFOGXWMC-GFCCVEGCSA-N 1 0 315.230 3.020 10 0 DGAERO Cc1cc(C)n(-c2ccc(CN3CCC([NH+](C)C)CC3)cc2)n1 ZINC000127879217 284356062 /nfs/dbraw/zinc/35/60/62/284356062.db2.gz YNCLADVOCNHSGN-UHFFFAOYSA-N 1 0 312.461 3.015 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1Br ZINC000127909325 284357295 /nfs/dbraw/zinc/35/72/95/284357295.db2.gz MPMJPQGPLGJUGO-ZFWWWQNUSA-N 1 0 312.251 3.398 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](CCOc1ccccc1Cl)CC2 ZINC000128396443 284374452 /nfs/dbraw/zinc/37/44/52/284374452.db2.gz UOVOXYOKVJRFHB-PBHICJAKSA-N 1 0 309.837 3.346 10 0 DGAERO Cc1cc(C(=O)NCC[N@@H+](C)C2CCCC2)c(Cl)cc1F ZINC000128554596 284379116 /nfs/dbraw/zinc/37/91/16/284379116.db2.gz HBTFSWUXSZFWJF-UHFFFAOYSA-N 1 0 312.816 3.392 10 0 DGAERO Cc1ccc(C[C@@H](C)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000181453263 432129814 /nfs/dbraw/zinc/12/98/14/432129814.db2.gz HDRARCGCQBBOHQ-QGZVFWFLSA-N 1 0 314.473 3.260 10 0 DGAERO NC(=[NH2+])c1ccnc(Oc2ccc(F)cc2Br)c1 ZINC000019423322 182122484 /nfs/dbraw/zinc/12/24/84/182122484.db2.gz URRGYEWSBISZAL-UHFFFAOYSA-N 1 0 310.126 3.060 10 0 DGAERO NC(=[NH2+])c1ccc(OCc2ccc(F)cc2Br)cc1 ZINC000019474408 182124357 /nfs/dbraw/zinc/12/43/57/182124357.db2.gz TUYJMQWGEFHTGC-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO NC(=[NH2+])c1cccc(COc2cccc(Br)c2)c1 ZINC000019489280 182124953 /nfs/dbraw/zinc/12/49/53/182124953.db2.gz MHZXCAFSRXEXRE-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129281754 284404288 /nfs/dbraw/zinc/40/42/88/284404288.db2.gz RBCLMVZJTSGFJC-QWHCGFSZSA-N 1 0 301.356 3.358 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C)o2)[C@@H](C)C1 ZINC000246433313 432131256 /nfs/dbraw/zinc/13/12/56/432131256.db2.gz MWGGVUFPEDOOHU-CFVMTHIKSA-N 1 0 307.438 3.021 10 0 DGAERO [NH3+][C@@H](c1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000019971140 182171709 /nfs/dbraw/zinc/17/17/09/182171709.db2.gz FCRIHADEYVPDDH-OAHLLOKOSA-N 1 0 304.187 3.432 10 0 DGAERO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000019979926 182173200 /nfs/dbraw/zinc/17/32/00/182173200.db2.gz USUBNRBRRIRPTA-LLVKDONJSA-N 1 0 304.312 3.230 10 0 DGAERO CCc1ccc(CC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000129632083 284418064 /nfs/dbraw/zinc/41/80/64/284418064.db2.gz QDRAJDOOKPOXKP-UHFFFAOYSA-N 1 0 302.462 3.028 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000246449085 432132185 /nfs/dbraw/zinc/13/21/85/432132185.db2.gz PBOJTTKKTREHII-PWRODBHTSA-N 1 0 324.468 3.279 10 0 DGAERO C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000020315879 182205625 /nfs/dbraw/zinc/20/56/25/182205625.db2.gz OGZJQSSAIBRZKE-SNVBAGLBSA-N 1 0 317.260 3.429 10 0 DGAERO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000020269829 182201808 /nfs/dbraw/zinc/20/18/08/182201808.db2.gz DVQHEUUQZWHYFL-MRVPVSSYSA-N 1 0 306.715 3.297 10 0 DGAERO CCc1ccc(CCC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000129956057 284428009 /nfs/dbraw/zinc/42/80/09/284428009.db2.gz LTQKYFMOZCWMNI-UHFFFAOYSA-N 1 0 316.489 3.418 10 0 DGAERO [NH3+][C@H](Cc1nc2ccccc2o1)c1ccc(Br)o1 ZINC000020427638 182216350 /nfs/dbraw/zinc/21/63/50/182216350.db2.gz FVPTZOHJXNKQQE-MRVPVSSYSA-N 1 0 307.147 3.426 10 0 DGAERO COc1cc(Br)cc(C[NH2+]C2CCCC2)c1OC ZINC000020933662 182255102 /nfs/dbraw/zinc/25/51/02/182255102.db2.gz LLVLNJPOQRULHB-UHFFFAOYSA-N 1 0 314.223 3.499 10 0 DGAERO C[C@H]1CC[C@H](CC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000130246373 284437270 /nfs/dbraw/zinc/43/72/70/284437270.db2.gz GBZMAICARCECCX-KBPBESRZSA-N 1 0 306.425 3.330 10 0 DGAERO CCCOc1c(Cl)cc(C[NH2+]CCCOC)cc1OC ZINC000020931727 182255272 /nfs/dbraw/zinc/25/52/72/182255272.db2.gz XVGMATXZRRAGDZ-UHFFFAOYSA-N 1 0 301.814 3.264 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[C@@H](C)c3ccccc31)CC2 ZINC000246456951 432133414 /nfs/dbraw/zinc/13/34/14/432133414.db2.gz PNZLALHQCVMZGL-CPUCHLNUSA-N 1 0 310.445 3.384 10 0 DGAERO COc1ccc(CC[NH2+]C[C@H]2CCOC(C)(C)C2)cc1OC ZINC000021149472 182266478 /nfs/dbraw/zinc/26/64/78/182266478.db2.gz NJQYBALAKDHPEI-HNNXBMFYSA-N 1 0 307.434 3.041 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCc3c(O)cccc32)CC1 ZINC000190227232 432134066 /nfs/dbraw/zinc/13/40/66/432134066.db2.gz JWJOKLIBYQFUIZ-KRWDZBQOSA-N 1 0 316.445 3.006 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2[C@H](C)CCC[C@H]2C)[C@@H](C)C1 ZINC000246470297 432134718 /nfs/dbraw/zinc/13/47/18/432134718.db2.gz PXCUMIGTDZKSLT-WCVJEAGWSA-N 1 0 309.498 3.183 10 0 DGAERO CSC(C)(C)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000135384490 284473868 /nfs/dbraw/zinc/47/38/68/284473868.db2.gz IUYIJARPZFGLMW-ZDUSSCGKSA-N 1 0 316.511 3.365 10 0 DGAERO CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246482349 432135844 /nfs/dbraw/zinc/13/58/44/432135844.db2.gz OQUHPQIKCJAKOR-UXLLHSPISA-N 1 0 318.461 3.416 10 0 DGAERO CC(C)C[C@H](C)OCCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000150867881 284539182 /nfs/dbraw/zinc/53/91/82/284539182.db2.gz XDIBBCZEGJXRQH-ZWKOTPCHSA-N 1 0 324.509 3.305 10 0 DGAERO CCC(=CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CC ZINC000246519502 432139433 /nfs/dbraw/zinc/13/94/33/432139433.db2.gz IMKLOHCWTMGMKY-CRAIPNDOSA-N 1 0 315.461 3.155 10 0 DGAERO CCOc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c(C)c1 ZINC000246512212 432139663 /nfs/dbraw/zinc/13/96/63/432139663.db2.gz SYJAWRSTJJNIFN-PBHICJAKSA-N 1 0 319.449 3.244 10 0 DGAERO Cc1ccc(F)cc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190297017 432141774 /nfs/dbraw/zinc/14/17/74/432141774.db2.gz RGEIBWKAPCRVDD-RDJZCZTQSA-N 1 0 305.418 3.404 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000246547847 432141590 /nfs/dbraw/zinc/14/15/90/432141590.db2.gz SVOQIZQQXSPBCG-YRGRVCCFSA-N 1 0 315.442 3.087 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C[C@H]2CC[C@H](C)O2)C2CC2)c1 ZINC000190299176 432142603 /nfs/dbraw/zinc/14/26/03/432142603.db2.gz JMDWTRMWWFLGRA-SUMWQHHRSA-N 1 0 305.418 3.236 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000459240967 284580869 /nfs/dbraw/zinc/58/08/69/284580869.db2.gz FZYWZMXDTSWLRN-WMZOPIPTSA-N 1 0 309.498 3.184 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC23CCSCC3)CC1 ZINC000448821223 284581185 /nfs/dbraw/zinc/58/11/85/284581185.db2.gz GORAQWLPKZRGFZ-INIZCTEOSA-N 1 0 324.534 3.100 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2CCCCC(=O)OC(C)(C)C)cn1 ZINC000181751678 432144379 /nfs/dbraw/zinc/14/43/79/432144379.db2.gz LBPCVGAVVAHXEM-OAHLLOKOSA-N 1 0 307.438 3.069 10 0 DGAERO CC[C@H]([NH3+])Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000037725084 182920579 /nfs/dbraw/zinc/92/05/79/182920579.db2.gz KJHLWKJHIFFGRX-QMMMGPOBSA-N 1 0 324.165 3.339 10 0 DGAERO Brc1ccc(C2CC([NH2+]Cc3cn[nH]c3)C2)cc1 ZINC000038006199 182960186 /nfs/dbraw/zinc/96/01/86/182960186.db2.gz AVNHSFMKYDHQMX-UHFFFAOYSA-N 1 0 306.207 3.208 10 0 DGAERO CC[C@H](C)NC(=O)CC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000038014052 182964120 /nfs/dbraw/zinc/96/41/20/182964120.db2.gz GPHOBQIRNQBFDH-YGONEPDPSA-N 1 0 308.853 3.480 10 0 DGAERO Clc1ccc2nc(C3CC3)n(CCC[NH+]3CCOCC3)c2c1 ZINC000040406010 183062379 /nfs/dbraw/zinc/06/23/79/183062379.db2.gz DZPKCSPKTFLZFA-UHFFFAOYSA-N 1 0 319.836 3.289 10 0 DGAERO CC(C)(C)NNc1[nH+]cnc(NCCC2=CCCCC2)c1N ZINC000040756099 183129904 /nfs/dbraw/zinc/12/99/04/183129904.db2.gz JLQAENXVJMWILL-UHFFFAOYSA-N 1 0 304.442 3.076 10 0 DGAERO CC(=O)Nc1ccccc1C[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000190390629 432149741 /nfs/dbraw/zinc/14/97/41/432149741.db2.gz RYYVAGGKNKQXLQ-UHFFFAOYSA-N 1 0 312.413 3.300 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)ccc1F ZINC000153099856 284657468 /nfs/dbraw/zinc/65/74/68/284657468.db2.gz ZCIGJRYQFHGJMW-ZDUSSCGKSA-N 1 0 322.424 3.324 10 0 DGAERO CCc1ccc([C@H]([NH3+])CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000041518022 183196823 /nfs/dbraw/zinc/19/68/23/183196823.db2.gz PKAFBEFATOFOQV-QGZVFWFLSA-N 1 0 303.427 3.031 10 0 DGAERO CC(C)c1ccc([C@@H]([NH3+])CS(=O)(=O)c2ccccc2)cc1 ZINC000041518047 183196975 /nfs/dbraw/zinc/19/69/75/183196975.db2.gz BXHRPMMRPSXQAU-KRWDZBQOSA-N 1 0 303.427 3.284 10 0 DGAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000153166398 284659969 /nfs/dbraw/zinc/65/99/69/284659969.db2.gz MWDLPEFCCKIIPB-HOCLYGCPSA-N 1 0 316.445 3.360 10 0 DGAERO CC(C)(C)C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000181936381 432149890 /nfs/dbraw/zinc/14/98/90/432149890.db2.gz JLBVJNBCNXBEBD-HOTGVXAUSA-N 1 0 316.424 3.499 10 0 DGAERO CN(Cc1cc(Br)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000042287840 183250041 /nfs/dbraw/zinc/25/00/41/183250041.db2.gz XZUSQVPDQXIFSY-FOSCPWQOSA-N 1 0 315.280 3.225 10 0 DGAERO CN(Cc1cc(Br)cs1)c1ccc(C(N)=[NH2+])cc1 ZINC000042399505 183264333 /nfs/dbraw/zinc/26/43/33/183264333.db2.gz GQVHUAGOENKPBC-UHFFFAOYSA-N 1 0 324.247 3.431 10 0 DGAERO CC[NH2+]Cc1ccc(Br)cc1N(C)[C@H](C)COC ZINC000042519068 183279257 /nfs/dbraw/zinc/27/92/57/183279257.db2.gz ANGZNWKFMQSSCH-LLVKDONJSA-N 1 0 315.255 3.030 10 0 DGAERO Cc1c(C[NH2+]C(C)C)cnn1-c1ccccc1Br ZINC000042355872 183257048 /nfs/dbraw/zinc/25/70/48/183257048.db2.gz JQFGTTSMCCKMEC-UHFFFAOYSA-N 1 0 308.223 3.441 10 0 DGAERO Cc1c(C[NH2+]C2CC2)cnn1-c1ccc(Br)cc1 ZINC000042355649 183257304 /nfs/dbraw/zinc/25/73/04/183257304.db2.gz XRNPHHXXZRSZLS-UHFFFAOYSA-N 1 0 306.207 3.195 10 0 DGAERO CN(Cc1csc(Br)c1)[C@@H](C[NH3+])c1ccco1 ZINC000042361855 183257838 /nfs/dbraw/zinc/25/78/38/183257838.db2.gz PQSPNDOTDUYKQC-JTQLQIEISA-N 1 0 315.236 3.235 10 0 DGAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000042743437 183304696 /nfs/dbraw/zinc/30/46/96/183304696.db2.gz ADZDOIGYVXFOFE-MFKMUULPSA-N 1 0 305.249 3.350 10 0 DGAERO CC(C)c1nccn1[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955978 183322955 /nfs/dbraw/zinc/32/29/55/183322955.db2.gz UQZROVVYDQKNHX-ZDUSSCGKSA-N 1 0 308.223 3.317 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1cccc(C)c1)n1cc(Br)cn1 ZINC000042967834 183324465 /nfs/dbraw/zinc/32/44/65/183324465.db2.gz VCZSUESEFYLOPU-ZIAGYGMSSA-N 1 0 308.223 3.281 10 0 DGAERO [NH3+]C[C@H](OC[C@H]1CCCCO1)c1cccc(Br)c1 ZINC000043023070 183330887 /nfs/dbraw/zinc/33/08/87/183330887.db2.gz QUIPSSBJDKIMAJ-KGLIPLIRSA-N 1 0 314.223 3.035 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1ccccc1F)n1cc(Br)cn1 ZINC000043046337 183331803 /nfs/dbraw/zinc/33/18/03/183331803.db2.gz WTLLRKNJMBDXOR-STQMWFEESA-N 1 0 312.186 3.111 10 0 DGAERO CCOCCO[C@@H](c1ccccc1Br)[C@@H]([NH3+])CC ZINC000043094580 183336963 /nfs/dbraw/zinc/33/69/63/183336963.db2.gz GCCHGVYUZJLIDL-KBPBESRZSA-N 1 0 316.239 3.281 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)n1cc(C)cn1 ZINC000043093800 183336984 /nfs/dbraw/zinc/33/69/84/183336984.db2.gz SHTNCKLEKQTTPY-KGLIPLIRSA-N 1 0 308.223 3.281 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)n1ccnc1C ZINC000043093688 183337047 /nfs/dbraw/zinc/33/70/47/183337047.db2.gz OKGJRGDIFNOQIE-ZIAGYGMSSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@H]([NH3+])[C@H](OC1CCOCC1)c1ccccc1Br ZINC000043095572 183337394 /nfs/dbraw/zinc/33/73/94/183337394.db2.gz XUEUVDINQLXQAI-HZMBPMFUSA-N 1 0 314.223 3.033 10 0 DGAERO CCC[C@H](C(=O)NCc1ccc(C)cc1OCC1CC1)[NH+](C)C ZINC000153464196 284672676 /nfs/dbraw/zinc/67/26/76/284672676.db2.gz AAWJCLBJJULFSA-QGZVFWFLSA-N 1 0 318.461 3.130 10 0 DGAERO CN1CCCC[C@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000044561372 183422222 /nfs/dbraw/zinc/42/22/22/183422222.db2.gz CURDJDXEHQHDPH-NSHDSACASA-N 1 0 303.269 3.085 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)ccc1F ZINC000153586472 284679627 /nfs/dbraw/zinc/67/96/27/284679627.db2.gz WLALBZIUCJBWPL-QWHCGFSZSA-N 1 0 305.397 3.326 10 0 DGAERO CCc1ccc([C@H]2CCCN2C(=O)c2ccc3c[nH+]cn3c2)o1 ZINC000284438579 218025954 /nfs/dbraw/zinc/02/59/54/218025954.db2.gz UNOKLXKXUHAWEP-MRXNPFEDSA-N 1 0 309.369 3.467 10 0 DGAERO COC(=O)c1cc(F)ccc1C[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000104684942 194026417 /nfs/dbraw/zinc/02/64/17/194026417.db2.gz LEHUDTHHFFBALL-ZDUSSCGKSA-N 1 0 323.408 3.128 10 0 DGAERO O=C(Nc1cc(F)ccc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105036284 194065658 /nfs/dbraw/zinc/06/56/58/194065658.db2.gz GUDMPHKXWSTSJN-GFCCVEGCSA-N 1 0 311.788 3.181 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(C(F)F)cc1 ZINC000184213622 284745539 /nfs/dbraw/zinc/74/55/39/284745539.db2.gz PYYOJTAQJZAGLF-LBPRGKRZSA-N 1 0 313.392 3.154 10 0 DGAERO Cc1nnc(CN[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)s1 ZINC000284908876 218230875 /nfs/dbraw/zinc/23/08/75/218230875.db2.gz HAAVUUYEWGCDLC-INIZCTEOSA-N 1 0 318.490 3.093 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)CC2 ZINC000105873598 194152649 /nfs/dbraw/zinc/15/26/49/194152649.db2.gz AJQQLTVDVSOEOO-RISCZKNCSA-N 1 0 304.825 3.160 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1F)CC2 ZINC000105874286 194153473 /nfs/dbraw/zinc/15/34/73/194153473.db2.gz PKBLDNLGKBDRKX-STQMWFEESA-N 1 0 302.397 3.206 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)CC2 ZINC000105874342 194153769 /nfs/dbraw/zinc/15/37/69/194153769.db2.gz WHTSNQVSDLOGST-YPMHNXCESA-N 1 0 320.387 3.345 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(F)ccc1F)CC2 ZINC000105874340 194153824 /nfs/dbraw/zinc/15/38/24/194153824.db2.gz WHTSNQVSDLOGST-DGCLKSJQSA-N 1 0 320.387 3.345 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)CC2 ZINC000105873593 194153907 /nfs/dbraw/zinc/15/39/07/194153907.db2.gz AJQQLTVDVSOEOO-SMDDNHRTSA-N 1 0 304.825 3.160 10 0 DGAERO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884415 194157642 /nfs/dbraw/zinc/15/76/42/194157642.db2.gz YBRSZDSAYVPHSE-STQMWFEESA-N 1 0 306.360 3.030 10 0 DGAERO C[C@@H](CCn1cccn1)[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000187522060 284764071 /nfs/dbraw/zinc/76/40/71/284764071.db2.gz PICOYQNVLXGLAW-AWEZNQCLSA-N 1 0 309.417 3.136 10 0 DGAERO Cc1ccc(C)c(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000106074327 194184016 /nfs/dbraw/zinc/18/40/16/194184016.db2.gz QWRYBLCZTOVABU-UHFFFAOYSA-N 1 0 310.445 3.114 10 0 DGAERO C[C@@H](O)CN1CC[N@@H+](C2c3ccccc3-c3ccccc32)C[C@@H]1C ZINC000106100660 194186435 /nfs/dbraw/zinc/18/64/35/194186435.db2.gz SNAMQDCXMDAUQG-JKSUJKDBSA-N 1 0 322.452 3.143 10 0 DGAERO Cc1cnn(C[C@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)c1 ZINC000106198375 194189155 /nfs/dbraw/zinc/18/91/55/194189155.db2.gz DQLVQKRJIOAGAM-LJQANCHMSA-N 1 0 321.424 3.246 10 0 DGAERO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106189240 194189456 /nfs/dbraw/zinc/18/94/56/194189456.db2.gz UNGAOSBATNXGBX-UZLBHIALSA-N 1 0 321.424 3.498 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(C)ccc3C)C2)n1 ZINC000106181617 194189955 /nfs/dbraw/zinc/18/99/55/194189955.db2.gz MICPUDNISZFYHF-GOSISDBHSA-N 1 0 312.461 3.424 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC1(c2ccccc2)CC1 ZINC000106428087 194211681 /nfs/dbraw/zinc/21/16/81/194211681.db2.gz WCFLUMGVPGCFLN-IBGZPJMESA-N 1 0 322.452 3.007 10 0 DGAERO COc1cccc([C@H]2C[C@H]2C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000106732480 194248017 /nfs/dbraw/zinc/24/80/17/194248017.db2.gz RBENIVMTZVTDJU-QZTJIDSGSA-N 1 0 318.461 3.034 10 0 DGAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)C[C@H]1CCCO1 ZINC000049599088 183746578 /nfs/dbraw/zinc/74/65/78/183746578.db2.gz BSKJOAPQCMZFAE-WDEREUQCSA-N 1 0 302.187 3.027 10 0 DGAERO CCC[C@H](C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000245536243 284821571 /nfs/dbraw/zinc/82/15/71/284821571.db2.gz ZHTSUMYUUFCHHE-CGTJXYLNSA-N 1 0 302.462 3.369 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccc(-n2cccn2)cc1 ZINC000159356588 197347876 /nfs/dbraw/zinc/34/78/76/197347876.db2.gz UFZXFMJZDCIMBC-UHFFFAOYSA-N 1 0 312.442 3.393 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(F)c(Br)c1 ZINC000109545606 194273177 /nfs/dbraw/zinc/27/31/77/194273177.db2.gz UOKKDSGACFPYTM-KOLCDFICSA-N 1 0 302.187 3.418 10 0 DGAERO Brc1cccc(C2CC([NH2+][C@@H]3CCCOC3)C2)c1 ZINC000109544820 194273208 /nfs/dbraw/zinc/27/32/08/194273208.db2.gz UUTZXZFTLPVWSA-HNFVBEJKSA-N 1 0 310.235 3.464 10 0 DGAERO Brc1cccc(C2CC([NH2+][C@H]3CCCOC3)C2)c1 ZINC000109544822 194273239 /nfs/dbraw/zinc/27/32/39/194273239.db2.gz UUTZXZFTLPVWSA-BLZCZZARSA-N 1 0 310.235 3.464 10 0 DGAERO [NH3+]Cc1ccc(Oc2ccc(Cl)cc2Br)nn1 ZINC000051550288 183828934 /nfs/dbraw/zinc/82/89/34/183828934.db2.gz AMEGJMMTLNQBRF-UHFFFAOYSA-N 1 0 314.570 3.144 10 0 DGAERO C[C@@]([NH3+])(C(=O)Nc1ccccc1Br)c1ccccc1 ZINC000052881164 183878883 /nfs/dbraw/zinc/87/88/83/183878883.db2.gz BADDJPRDMBUISF-HNNXBMFYSA-N 1 0 319.202 3.262 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000110816400 194360520 /nfs/dbraw/zinc/36/05/20/194360520.db2.gz FAGPCVLVYRILIT-INIZCTEOSA-N 1 0 306.475 3.110 10 0 DGAERO C[C@@H]1CN(CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCO1 ZINC000246223178 284877519 /nfs/dbraw/zinc/87/75/19/284877519.db2.gz ZSBVTAMJQAAFCE-DYVFJYSZSA-N 1 0 308.853 3.101 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)CC2 ZINC000246425611 284894710 /nfs/dbraw/zinc/89/47/10/284894710.db2.gz NMRISANALWZZRH-RBSFLKMASA-N 1 0 304.482 3.350 10 0 DGAERO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246450862 284897841 /nfs/dbraw/zinc/89/78/41/284897841.db2.gz UPLLRKUQADPVLY-ZACQAIPSSA-N 1 0 305.466 3.001 10 0 DGAERO CCCC[C@@H]1CCC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246450848 284897903 /nfs/dbraw/zinc/89/79/03/284897903.db2.gz UPLLRKUQADPVLY-BRWVUGGUSA-N 1 0 305.466 3.001 10 0 DGAERO Clc1cccc(OCCCN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061040692 184159999 /nfs/dbraw/zinc/15/99/99/184159999.db2.gz KKBDOVOFOFZOEY-UHFFFAOYSA-N 1 0 308.853 3.279 10 0 DGAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000061272415 184167079 /nfs/dbraw/zinc/16/70/79/184167079.db2.gz GMHLERRSUVAOEH-SNVBAGLBSA-N 1 0 303.233 3.340 10 0 DGAERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000061271711 184167288 /nfs/dbraw/zinc/16/72/88/184167288.db2.gz WJCWLKVTIGFQPS-JTQLQIEISA-N 1 0 303.233 3.340 10 0 DGAERO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)c1ccccc1Cl ZINC000061612696 184178637 /nfs/dbraw/zinc/17/86/37/184178637.db2.gz QWGHHTDKSUTWIP-IUODEOHRSA-N 1 0 302.805 3.260 10 0 DGAERO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000061612689 184178685 /nfs/dbraw/zinc/17/86/85/184178685.db2.gz NKAOSNZDGHMLFY-MLGOLLRUSA-N 1 0 302.805 3.260 10 0 DGAERO C[C@H](c1ccc(F)c(Br)c1)N1CCC([NH3+])CC1 ZINC000061689567 184183065 /nfs/dbraw/zinc/18/30/65/184183065.db2.gz MRAFJAWDTYCAEB-SECBINFHSA-N 1 0 301.203 3.072 10 0 DGAERO NC(=[NH2+])c1cc(Oc2ccc(Br)cc2F)ccn1 ZINC000061814573 184188311 /nfs/dbraw/zinc/18/83/11/184188311.db2.gz LDCDXYGICFQVQT-UHFFFAOYSA-N 1 0 310.126 3.060 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCCO[C@H](C)C1 ZINC000061913265 184195055 /nfs/dbraw/zinc/19/50/55/184195055.db2.gz AJXCOOPTPKIAEK-UHIISALHSA-N 1 0 302.871 3.291 10 0 DGAERO Brc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000063197538 184277950 /nfs/dbraw/zinc/27/79/50/184277950.db2.gz DTYCGYUKLLDJSZ-CYBMUJFWSA-N 1 0 313.239 3.006 10 0 DGAERO CN(Cc1cc(Br)cs1)[C@@H](C[NH3+])c1ccoc1 ZINC000063047876 184268166 /nfs/dbraw/zinc/26/81/66/184268166.db2.gz GGQSRKQCSYNIAK-LBPRGKRZSA-N 1 0 315.236 3.235 10 0 DGAERO C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]2CCCC[C@@H]12 ZINC000248441095 284998380 /nfs/dbraw/zinc/99/83/80/284998380.db2.gz UYBKCUNPANAFGI-UIJHXXCUSA-N 1 0 321.509 3.327 10 0 DGAERO O=C1[C@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1c1c(F)cccc1F ZINC000446785437 285000449 /nfs/dbraw/zinc/00/04/49/285000449.db2.gz PXYMDIRQPSZDGJ-HEHGZKQESA-N 1 0 320.383 3.192 10 0 DGAERO Cc1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)ccc1Br ZINC000091470225 252613662 /nfs/dbraw/zinc/61/36/62/252613662.db2.gz XDZRSQCPZOGENG-UKRRQHHQSA-N 1 0 312.251 3.398 10 0 DGAERO CSc1ccc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000085359854 252597105 /nfs/dbraw/zinc/59/71/05/252597105.db2.gz JSJCMFUNLCXKFC-ZDUSSCGKSA-N 1 0 323.506 3.184 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000248585308 285008037 /nfs/dbraw/zinc/00/80/37/285008037.db2.gz PWKXRAZFSUPTCS-XQXHGXSKSA-N 1 0 307.482 3.126 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000248588436 285008538 /nfs/dbraw/zinc/00/85/38/285008538.db2.gz QPABTRDCRWMRPW-RBSFLKMASA-N 1 0 306.454 3.163 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248570093 285006785 /nfs/dbraw/zinc/00/67/85/285006785.db2.gz LUGDKCJOHLFNHM-SJLPKXTDSA-N 1 0 302.462 3.246 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248613155 285010970 /nfs/dbraw/zinc/01/09/70/285010970.db2.gz HGEYABNQCKPDNL-DOMZBBRYSA-N 1 0 300.402 3.200 10 0 DGAERO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000248651859 285014589 /nfs/dbraw/zinc/01/45/89/285014589.db2.gz NGVOBISLXHQZDT-HZPDHXFCSA-N 1 0 305.491 3.314 10 0 DGAERO CC(C)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000248734427 285020967 /nfs/dbraw/zinc/02/09/67/285020967.db2.gz NGZSTVFLYOZETR-TZMCWYRMSA-N 1 0 305.447 3.221 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[C@](C)(c3ccccc3)C1)CC2 ZINC000249201927 207674976 /nfs/dbraw/zinc/67/49/76/207674976.db2.gz TYWSBBBHYMNELU-QKLQHJQFSA-N 1 0 324.472 3.255 10 0 DGAERO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000248742328 285022260 /nfs/dbraw/zinc/02/22/60/285022260.db2.gz DUWYDZCAOUDDLL-HKUYNNGSSA-N 1 0 318.461 3.130 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1c(F)cccc1Br ZINC000248741579 285022383 /nfs/dbraw/zinc/02/23/83/285022383.db2.gz DRVGWGJURGGRGK-JGPRNRPPSA-N 1 0 316.214 3.322 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000186248047 252751383 /nfs/dbraw/zinc/75/13/83/252751383.db2.gz CDODVABRSBANIP-VXGBXAGGSA-N 1 0 320.462 3.137 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000163414894 285038456 /nfs/dbraw/zinc/03/84/56/285038456.db2.gz LGPFGDYMSYNWOA-ZFWWWQNUSA-N 1 0 319.474 3.058 10 0 DGAERO CCc1cccc(C)c1NC(=O)C[N@H+](C(C)C)C1CCOCC1 ZINC000119650660 195010101 /nfs/dbraw/zinc/01/01/01/195010101.db2.gz HSRVHJDYTCOXEO-UHFFFAOYSA-N 1 0 318.461 3.385 10 0 DGAERO CC(C)[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)C1CCC1 ZINC000119764492 195033625 /nfs/dbraw/zinc/03/36/25/195033625.db2.gz IHAUYQMNDLQYII-KRWDZBQOSA-N 1 0 311.853 3.480 10 0 DGAERO COc1ccc([C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)C(C)C)cc1 ZINC000119847475 195047250 /nfs/dbraw/zinc/04/72/50/195047250.db2.gz JMMVJIONOFMQPH-WBVHZDCISA-N 1 0 309.450 3.158 10 0 DGAERO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1cscn1 ZINC000119991830 195076758 /nfs/dbraw/zinc/07/67/58/195076758.db2.gz CBNKDYBKVDYGJM-CYBMUJFWSA-N 1 0 306.431 3.271 10 0 DGAERO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312610842 252909417 /nfs/dbraw/zinc/90/94/17/252909417.db2.gz WTSWALAACHHKGF-HTRCEHHLSA-N 1 0 300.276 3.257 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249193799 285062746 /nfs/dbraw/zinc/06/27/46/285062746.db2.gz PLKHFDPHTAMXQC-BPUTZDHNSA-N 1 0 302.466 3.089 10 0 DGAERO Cc1ccc2cccc(NC(=O)N(C)[C@@H]3CCC[NH2+]CC3)c2n1 ZINC000333200669 252942131 /nfs/dbraw/zinc/94/21/31/252942131.db2.gz XQQCBISIKVSHFT-OAHLLOKOSA-N 1 0 312.417 3.149 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000249242979 285064436 /nfs/dbraw/zinc/06/44/36/285064436.db2.gz DHRRBGYNUWGTDO-LAVFITLUSA-N 1 0 303.446 3.385 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccncc2OC)C12CCCC2 ZINC000249186562 285062158 /nfs/dbraw/zinc/06/21/58/285062158.db2.gz LAMNKUHWCYHXGH-XOKHGSTOSA-N 1 0 304.434 3.479 10 0 DGAERO Cc1ccc(CN(C)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000249273924 285065545 /nfs/dbraw/zinc/06/55/45/285065545.db2.gz KFXMZQCZAXFNLC-RBSFLKMASA-N 1 0 321.465 3.096 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000249276391 285066343 /nfs/dbraw/zinc/06/63/43/285066343.db2.gz DDSCMRNCQCLWRJ-NEWSRXKRSA-N 1 0 314.473 3.402 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000249291087 285066921 /nfs/dbraw/zinc/06/69/21/285066921.db2.gz KOFFRNQPFXCJDJ-RCCFBDPRSA-N 1 0 300.446 3.232 10 0 DGAERO Cc1nc(CC(C)C)c(NC(=O)N2CCC3(CC[NH2+]3)CC2)s1 ZINC000333883973 252977599 /nfs/dbraw/zinc/97/75/99/252977599.db2.gz WTTXJWFOPFJMPQ-UHFFFAOYSA-N 1 0 322.478 3.010 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000249504553 285077297 /nfs/dbraw/zinc/07/72/97/285077297.db2.gz GAJVZNZVDUSPIP-JLSDUUJJSA-N 1 0 321.509 3.373 10 0 DGAERO Cc1ccc(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c(Cl)c1 ZINC000249536017 285079840 /nfs/dbraw/zinc/07/98/40/285079840.db2.gz CMDAOOBBPRNUBK-DYVFJYSZSA-N 1 0 324.852 3.070 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000336887898 253018878 /nfs/dbraw/zinc/01/88/78/253018878.db2.gz DOAZRHFWDUTUBC-LBPRGKRZSA-N 1 0 302.187 3.245 10 0 DGAERO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249726697 285085320 /nfs/dbraw/zinc/08/53/20/285085320.db2.gz QHOYKNWEJVZQOM-MGPQQGTHSA-N 1 0 320.399 3.298 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000249753596 285086939 /nfs/dbraw/zinc/08/69/39/285086939.db2.gz FRZRWXFMAXNOAO-DOMZBBRYSA-N 1 0 309.841 3.185 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCSc3ccccc32)C1 ZINC000249811640 285089330 /nfs/dbraw/zinc/08/93/30/285089330.db2.gz ZNHVGKAHSVDWJU-HIFRSBDPSA-N 1 0 319.474 3.007 10 0 DGAERO CC[C@@H]1CN(C[C@H](C)c2cccc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000249773894 285087917 /nfs/dbraw/zinc/08/79/17/285087917.db2.gz JXLXLUKIIZSLJL-HDMKZQKVSA-N 1 0 324.896 3.221 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000249976097 285092191 /nfs/dbraw/zinc/09/21/91/285092191.db2.gz YDCUIOJALPFUBO-DZGCQCFKSA-N 1 0 310.869 3.347 10 0 DGAERO COCCN1CC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@@H]1C ZINC000249975817 285092225 /nfs/dbraw/zinc/09/22/25/285092225.db2.gz XZAJSDOYDFBTIC-SXLOBPIMSA-N 1 0 316.489 3.149 10 0 DGAERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1C ZINC000251655536 285097233 /nfs/dbraw/zinc/09/72/33/285097233.db2.gz HTFJCNMTSKFJRM-IUODEOHRSA-N 1 0 310.825 3.025 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)CC[C@@H]1C ZINC000252040341 285101889 /nfs/dbraw/zinc/10/18/89/285101889.db2.gz ZKNNBDYDLBGQSN-LIRRHRJNSA-N 1 0 313.445 3.346 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(C(=O)OC(C)C)cc2)CC[C@@H]1C ZINC000251942354 285100182 /nfs/dbraw/zinc/10/01/82/285100182.db2.gz UTGQEVUTEARPGG-WMLDXEAASA-N 1 0 305.418 3.109 10 0 DGAERO CCc1ccc(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000252643145 285103140 /nfs/dbraw/zinc/10/31/40/285103140.db2.gz JLLJUVYJPCCJII-YJBOKZPZSA-N 1 0 316.489 3.468 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1sccc1Br ZINC000252728586 285104920 /nfs/dbraw/zinc/10/49/20/285104920.db2.gz BZJBLXSYYWBLGD-BEPCFFQHSA-N 1 0 324.309 3.318 10 0 DGAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CCC1=CCCC1 ZINC000338197130 253240830 /nfs/dbraw/zinc/24/08/30/253240830.db2.gz QHRHIZBLIXMEMV-UHFFFAOYSA-N 1 0 311.385 3.395 10 0 DGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)NC1CCCC1 ZINC000338230691 253246862 /nfs/dbraw/zinc/24/68/62/253246862.db2.gz IEMWDRVNWCTICP-GOSISDBHSA-N 1 0 315.461 3.283 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@H](C)c1cccc(F)c1 ZINC000253548385 285110341 /nfs/dbraw/zinc/11/03/41/285110341.db2.gz HCPRCVWRBMPQOO-QGTPRVQTSA-N 1 0 318.436 3.405 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)c1cccc(F)c1 ZINC000253548898 285110380 /nfs/dbraw/zinc/11/03/80/285110380.db2.gz LKVHTBGEKISLLP-XYPHTWIQSA-N 1 0 304.409 3.014 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000253549786 285110895 /nfs/dbraw/zinc/11/08/95/285110895.db2.gz WJJYMZNRWGWEQN-QGTPRVQTSA-N 1 0 318.436 3.090 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CSC2(C)C)cc1Br ZINC000338475767 253294165 /nfs/dbraw/zinc/29/41/65/253294165.db2.gz SAHYYVQLSIDTNS-GFCCVEGCSA-N 1 0 316.264 3.441 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CSC2(C)C)cc1Br ZINC000338475769 253294280 /nfs/dbraw/zinc/29/42/80/253294280.db2.gz SAHYYVQLSIDTNS-LBPRGKRZSA-N 1 0 316.264 3.441 10 0 DGAERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000254987982 285117660 /nfs/dbraw/zinc/11/76/60/285117660.db2.gz XLRVUHNDEYPDFO-ZWKOTPCHSA-N 1 0 318.436 3.310 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccnc2)cc1NC(C)=O ZINC000158544038 197281784 /nfs/dbraw/zinc/28/17/84/197281784.db2.gz MIHNXQKIHNHJSE-QWHCGFSZSA-N 1 0 313.401 3.460 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)CC/C=C\c2ccccc2)CC[N@@H+]1C ZINC000255477316 285157904 /nfs/dbraw/zinc/15/79/04/285157904.db2.gz ORZALDDEQHNVRV-JAYNKOPWSA-N 1 0 300.446 3.421 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000157874061 197222223 /nfs/dbraw/zinc/22/22/23/197222223.db2.gz AEYRCZDUUHGEML-ZDUSSCGKSA-N 1 0 301.434 3.290 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000175957556 533113390 /nfs/dbraw/zinc/11/33/90/533113390.db2.gz RLRLMLLQQVQZNT-VBQJREDUSA-N 1 0 319.449 3.340 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1(C)C ZINC000342809032 254056035 /nfs/dbraw/zinc/05/60/35/254056035.db2.gz GEKTVWIOXYBFHH-MSOLQXFVSA-N 1 0 313.445 3.225 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342819824 254059254 /nfs/dbraw/zinc/05/92/54/254059254.db2.gz DOVJDHDYUGKEAK-CVEARBPZSA-N 1 0 315.442 3.349 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CCN1CCCCCC1 ZINC000343154742 254107602 /nfs/dbraw/zinc/10/76/02/254107602.db2.gz RYOZSMMCKXZITB-UHFFFAOYSA-N 1 0 316.474 3.171 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000157114569 197162901 /nfs/dbraw/zinc/16/29/01/197162901.db2.gz IOOFTJCEFKTILZ-GFCCVEGCSA-N 1 0 313.392 3.007 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000344797042 254306340 /nfs/dbraw/zinc/30/63/40/254306340.db2.gz QEKMGQPOECJYDN-ZDUSSCGKSA-N 1 0 315.442 3.396 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H]1SC ZINC000344949819 254318643 /nfs/dbraw/zinc/31/86/43/254318643.db2.gz AIILXACFHZXHLY-YPMHNXCESA-N 1 0 316.264 3.441 10 0 DGAERO O=C(N[C@@H]1CCc2cc(Cl)ccc21)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262411264 285194901 /nfs/dbraw/zinc/19/49/01/285194901.db2.gz DRVWPUJUYSZGEF-DXEWXGHRSA-N 1 0 318.848 3.364 10 0 DGAERO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177184388 285200732 /nfs/dbraw/zinc/20/07/32/285200732.db2.gz USQSJXMNFHGTBA-IRXDYDNUSA-N 1 0 314.454 3.388 10 0 DGAERO COC(=O)[C@@]12CCC[C@@H]1CN(c1cc[nH+]c3c(C)cccc13)C2 ZINC000302211223 533153537 /nfs/dbraw/zinc/15/35/37/533153537.db2.gz YQGWEHJGWUYZKY-AUUYWEPGSA-N 1 0 310.397 3.323 10 0 DGAERO COC(=O)[C@@]12CCC[C@H]1CN(c1cc(C)[nH+]c3ccccc31)C2 ZINC000302157204 533154104 /nfs/dbraw/zinc/15/41/04/533154104.db2.gz IZOJSGNOXPDYGU-IFXJQAMLSA-N 1 0 310.397 3.323 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 ZINC000154926087 197006047 /nfs/dbraw/zinc/00/60/47/197006047.db2.gz JQGBUJGEZHKAFR-SJORKVTESA-N 1 0 314.408 3.325 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)ccc2C)[C@H](C)C1 ZINC000120365890 195152657 /nfs/dbraw/zinc/15/26/57/195152657.db2.gz UEVJDMOOUJLPBU-NVXWUHKLSA-N 1 0 303.450 3.497 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2(C)C)CCN1Cc1ccccc1 ZINC000294678410 224162328 /nfs/dbraw/zinc/16/23/28/224162328.db2.gz IAAQYAKIMFBRNJ-NJAFHUGGSA-N 1 0 302.462 3.197 10 0 DGAERO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000330147364 285243453 /nfs/dbraw/zinc/24/34/53/285243453.db2.gz IQGYZWRNQMODMR-NVXWUHKLSA-N 1 0 310.401 3.123 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccncc3)C2)c1 ZINC000154153448 196943892 /nfs/dbraw/zinc/94/38/92/196943892.db2.gz JZIRDCGBLFRNFE-JKSUJKDBSA-N 1 0 311.429 3.267 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC000120392082 195157190 /nfs/dbraw/zinc/15/71/90/195157190.db2.gz ILZVITAHBIGCHL-CJNGLKHVSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000120423461 195164495 /nfs/dbraw/zinc/16/44/95/195164495.db2.gz RZCLQCSLFKXUKY-YOEHRIQHSA-N 1 0 312.413 3.369 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000120556710 195189722 /nfs/dbraw/zinc/18/97/22/195189722.db2.gz FTMOQJZYJJWEGR-IGCXYCKISA-N 1 0 307.459 3.462 10 0 DGAERO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)CCC2 ZINC000120700515 195219687 /nfs/dbraw/zinc/21/96/87/195219687.db2.gz GSAIQWSJJTUNNU-BMIGLBTASA-N 1 0 318.490 3.400 10 0 DGAERO C[N@H+](CCC1CCOCC1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000120727499 195225636 /nfs/dbraw/zinc/22/56/36/195225636.db2.gz VVHFOTPZAHCNPL-UHFFFAOYSA-N 1 0 317.408 3.260 10 0 DGAERO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC000120849342 195250167 /nfs/dbraw/zinc/25/01/67/195250167.db2.gz JOHGOMFYSLLDIL-KSSFIOAISA-N 1 0 311.429 3.294 10 0 DGAERO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC000120849810 195250284 /nfs/dbraw/zinc/25/02/84/195250284.db2.gz JOHGOMFYSLLDIL-RDTXWAMCSA-N 1 0 311.429 3.294 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(-c2ncco2)c1 ZINC000152355973 196813425 /nfs/dbraw/zinc/81/34/25/196813425.db2.gz OSDQYLZTHOGSRW-CYBMUJFWSA-N 1 0 316.405 3.193 10 0 DGAERO Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000313623605 285304647 /nfs/dbraw/zinc/30/46/47/285304647.db2.gz OQMBZKRGTHLRRZ-HNNXBMFYSA-N 1 0 312.251 3.494 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000289602169 221095073 /nfs/dbraw/zinc/09/50/73/221095073.db2.gz UZJJRZBTIQQAPL-NZETUCKYSA-N 1 0 311.372 3.442 10 0 DGAERO Cc1noc([C@H]2CCC[N@H+](Cc3ccccc3OC3CC3)C2)n1 ZINC000289994752 221367829 /nfs/dbraw/zinc/36/78/29/221367829.db2.gz KROIRDDYFBIMIL-HNNXBMFYSA-N 1 0 313.401 3.299 10 0 DGAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000396758666 257103068 /nfs/dbraw/zinc/10/30/68/257103068.db2.gz HHZGTMZDNZKBAJ-IUODEOHRSA-N 1 0 306.406 3.095 10 0 DGAERO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2cccc(Cl)c2)no1 ZINC000121004778 195278646 /nfs/dbraw/zinc/27/86/46/195278646.db2.gz MRVKEUZPQYAFRC-NSHDSACASA-N 1 0 307.781 3.316 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000121771972 195344729 /nfs/dbraw/zinc/34/47/29/195344729.db2.gz MXTKVCOIBJANKB-OAHLLOKOSA-N 1 0 313.445 3.341 10 0 DGAERO C[C@]1(CNCc2cscn2)CCC[N@@H+]1Cc1ccccc1 ZINC000121803961 195350841 /nfs/dbraw/zinc/35/08/41/195350841.db2.gz YAVVLJNAHNFODR-QGZVFWFLSA-N 1 0 301.459 3.287 10 0 DGAERO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121616229 195316969 /nfs/dbraw/zinc/31/69/69/195316969.db2.gz SLRQROPAGIMDFR-OAHLLOKOSA-N 1 0 324.346 3.489 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1cnc2onc(CC)c2c1 ZINC000124165304 195612134 /nfs/dbraw/zinc/61/21/34/195612134.db2.gz ZTFOYHMXLBUMEW-UHFFFAOYSA-N 1 0 324.384 3.147 10 0 DGAERO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@]1(CCO)CCOC1 ZINC000125519438 195759010 /nfs/dbraw/zinc/75/90/10/195759010.db2.gz BNGQBPHDFQVILV-WBMJQRKESA-N 1 0 312.479 3.015 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)C2CCOCC2)cc1NC(C)=O ZINC000126217652 195821050 /nfs/dbraw/zinc/82/10/50/195821050.db2.gz KRGJZASIWTYSIY-OLZOCXBDSA-N 1 0 320.433 3.119 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCSC(C)(C)C1)c1ccccc1 ZINC000177520706 533258369 /nfs/dbraw/zinc/25/83/69/533258369.db2.gz YLVRWVJHAUPUFR-KGLIPLIRSA-N 1 0 306.475 3.080 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000449554977 533381499 /nfs/dbraw/zinc/38/14/99/533381499.db2.gz PHBJZXRFFGEPLV-KOTGUFOOSA-N 1 0 312.335 3.058 10 0 DGAERO COc1c(C)cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cc1C ZINC000299740715 533399134 /nfs/dbraw/zinc/39/91/34/533399134.db2.gz BHIKWUPIQOPEIO-PKOBYXMFSA-N 1 0 312.413 3.327 10 0 DGAERO C[C@@H](CCSc1ccccc1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000153048491 533649661 /nfs/dbraw/zinc/64/96/61/533649661.db2.gz XHKBHFILYOWWKL-AWEZNQCLSA-N 1 0 308.491 3.404 10 0 DGAERO COc1cccc(OCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000178571519 533661345 /nfs/dbraw/zinc/66/13/45/533661345.db2.gz JKJIVWRSGWVJAT-GFCCVEGCSA-N 1 0 303.324 3.348 10 0 DGAERO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)c(OCc2cccnc2)c1 ZINC000443965202 533667533 /nfs/dbraw/zinc/66/75/33/533667533.db2.gz MJJZOJIVDBWPGS-YOEHRIQHSA-N 1 0 312.413 3.415 10 0 DGAERO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)c(OCc2cccnc2)c1 ZINC000443965199 533669105 /nfs/dbraw/zinc/66/91/05/533669105.db2.gz MJJZOJIVDBWPGS-PBHICJAKSA-N 1 0 312.413 3.415 10 0 DGAERO c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCOC3(CCCC3)C1)CO2 ZINC000494593609 285509753 /nfs/dbraw/zinc/50/97/53/285509753.db2.gz YKOUPZMAUFWXRC-IRXDYDNUSA-N 1 0 301.430 3.462 10 0 DGAERO COc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCCOC2)cc1OC ZINC000356900117 285549544 /nfs/dbraw/zinc/54/95/44/285549544.db2.gz OKOFXHMZYORQKF-HOCLYGCPSA-N 1 0 307.434 3.041 10 0 DGAERO [NH3+]C[C@H](c1ccc(Br)o1)N1CCCc2ccccc21 ZINC000022214993 134654408 /nfs/dbraw/zinc/65/44/08/134654408.db2.gz JGHBTJHKKKKKKW-CYBMUJFWSA-N 1 0 321.218 3.495 10 0 DGAERO Clc1cnc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000037918334 134704653 /nfs/dbraw/zinc/70/46/53/134704653.db2.gz IULJBMZZVASKOG-GWCFXTLKSA-N 1 0 300.233 3.357 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000340355095 292077802 /nfs/dbraw/zinc/07/78/02/292077802.db2.gz FHTXFPIMYOJJNV-QFBILLFUSA-N 1 0 304.478 3.444 10 0 DGAERO c1ccc([C@@H]([NH2+]Cc2nc3ccccc3[nH]2)[C@H]2CCOC2)cc1 ZINC000357350942 285728151 /nfs/dbraw/zinc/72/81/51/285728151.db2.gz DSGZQVDQLPHWIW-HNAYVOBHSA-N 1 0 307.397 3.430 10 0 DGAERO COC1([C@@H](C)[NH2+]CCCO[C@@H](C)c2ccccc2)CCOCC1 ZINC000453088678 292134833 /nfs/dbraw/zinc/13/48/33/292134833.db2.gz OLRICYFYWKBJQD-DLBZAZTESA-N 1 0 321.461 3.328 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000357801734 285874925 /nfs/dbraw/zinc/87/49/25/285874925.db2.gz XRZRCHMUOHFACC-GDBMZVCRSA-N 1 0 306.450 3.034 10 0 DGAERO Cc1ccc(C)c(C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])c1 ZINC000006780153 400095013 /nfs/dbraw/zinc/09/50/13/400095013.db2.gz JYFADXZLRXNPDH-DLBZAZTESA-N 1 0 318.461 3.430 10 0 DGAERO COC(=O)c1ccc([C@@H]2CCC[NH2+]2)nc1CCCc1ccccc1 ZINC000616579993 400177157 /nfs/dbraw/zinc/17/71/57/400177157.db2.gz SONGYQIRRPIHSY-SFHVURJKSA-N 1 0 324.424 3.468 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccc2ccncc2c1 ZINC000616584980 400177538 /nfs/dbraw/zinc/17/75/38/400177538.db2.gz OMPKTFCROBTBKI-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cncc3ccccc32)Cc2ccccc21 ZINC000616590011 400178806 /nfs/dbraw/zinc/17/88/06/400178806.db2.gz RJNXDQWLBOTYLW-KRWDZBQOSA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1C[C@H](c2nccc3ccccc32)Cc2ccccc21 ZINC000616592058 400178933 /nfs/dbraw/zinc/17/89/33/400178933.db2.gz HDUIMDLHFRISGZ-QGZVFWFLSA-N 1 0 303.409 3.340 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2cccnc2)C1 ZINC000616604006 400183250 /nfs/dbraw/zinc/18/32/50/400183250.db2.gz ZDZPYEXYRGLWOI-INIZCTEOSA-N 1 0 319.449 3.176 10 0 DGAERO CC1CCC(C[N@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000328638992 400184206 /nfs/dbraw/zinc/18/42/06/400184206.db2.gz PHYRPRFTEABYNC-FAFZWHIHSA-N 1 0 316.493 3.247 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cccc2cccnc21 ZINC000616635236 400189209 /nfs/dbraw/zinc/18/92/09/400189209.db2.gz GFGZLPGGZCSLTL-HNNXBMFYSA-N 1 0 313.401 3.116 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2ccc3ncccc3c2)cc1 ZINC000616636277 400189321 /nfs/dbraw/zinc/18/93/21/400189321.db2.gz HAFVOZULRGRQSN-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CCOC(C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1)OCC ZINC000316503419 400151582 /nfs/dbraw/zinc/15/15/82/400151582.db2.gz MLIHCUWNUNOJRV-AWEZNQCLSA-N 1 0 311.422 3.144 10 0 DGAERO c1c[nH]c([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000092073940 400153642 /nfs/dbraw/zinc/15/36/42/400153642.db2.gz IUHQAIXHPSKSSZ-HNNXBMFYSA-N 1 0 307.401 3.179 10 0 DGAERO COC(=O)c1csc([C@H](C)[NH2+]C[C@@H](C)c2ccncc2)c1 ZINC000586790601 400157532 /nfs/dbraw/zinc/15/75/32/400157532.db2.gz MHHZBYYBVRDQKG-NEPJUHHUSA-N 1 0 304.415 3.384 10 0 DGAERO Fc1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000067442997 400169869 /nfs/dbraw/zinc/16/98/69/400169869.db2.gz LRHHDAUXVCWMHL-UHFFFAOYSA-N 1 0 310.376 3.248 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccc2ncccc2c1 ZINC000616635428 400189613 /nfs/dbraw/zinc/18/96/13/400189613.db2.gz BWOQGSYFGRTAHU-MRXNPFEDSA-N 1 0 313.401 3.116 10 0 DGAERO CC(C)N1CC[NH2+]C[C@H]1c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000616636466 400189908 /nfs/dbraw/zinc/18/99/08/400189908.db2.gz APSKRUYBBHXXPE-INIZCTEOSA-N 1 0 319.449 3.388 10 0 DGAERO c1ccc(CN2CCO[C@H](c3cnnc4ccccc43)C2)cc1 ZINC000616642570 400191702 /nfs/dbraw/zinc/19/17/02/400191702.db2.gz ANJDKEMXSAHVSC-IBGZPJMESA-N 1 0 305.381 3.203 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1COCCC[N@@H+]1C ZINC000616650148 400192546 /nfs/dbraw/zinc/19/25/46/400192546.db2.gz YNVYELNKHCKGGW-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO C[N@@H+]1CCCOC[C@H]1c1ccccc1NC(=O)OC(C)(C)C ZINC000616648919 400192837 /nfs/dbraw/zinc/19/28/37/400192837.db2.gz HBCXBRMLVMRXOZ-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO CC(=O)Nc1ccc([C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000616663452 400196511 /nfs/dbraw/zinc/19/65/11/400196511.db2.gz PNAXPYOMFYZYDG-LJQANCHMSA-N 1 0 324.424 3.261 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccc3ncccc3c2)Cc2ccccc21 ZINC000616672150 400198945 /nfs/dbraw/zinc/19/89/45/400198945.db2.gz JLFFGDUSUDCPON-GOSISDBHSA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccc3ccccc3n2)Cc2ccccc21 ZINC000616672359 400199327 /nfs/dbraw/zinc/19/93/27/400199327.db2.gz NEIOYQQTHUDAMP-KRWDZBQOSA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1C[C@H](c2cccc3cnccc32)Nc2ccccc21 ZINC000616683748 400202900 /nfs/dbraw/zinc/20/29/00/400202900.db2.gz IKNGQTYCJOFBRV-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cncc3ccccc32)Nc2ccccc21 ZINC000616691455 400205518 /nfs/dbraw/zinc/20/55/18/400205518.db2.gz AJDKPMSJXHYLOD-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cccc2cccnc21 ZINC000616693329 400207123 /nfs/dbraw/zinc/20/71/23/400207123.db2.gz XEKYGMSYPVSRGI-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO Cc1cc(N2CC[C@@H](C)[C@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000092977712 400218524 /nfs/dbraw/zinc/21/85/24/400218524.db2.gz RFCGITAQJBJAEP-QLJPJBMISA-N 1 0 322.355 3.352 10 0 DGAERO O=C(Cc1csc2ccccc12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589140765 400264969 /nfs/dbraw/zinc/26/49/69/400264969.db2.gz DWJLZLLTNXGROS-HNNXBMFYSA-N 1 0 314.454 3.141 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616998425 400265511 /nfs/dbraw/zinc/26/55/11/400265511.db2.gz NTIUCWOEKGILMM-GOEBONIOSA-N 1 0 310.482 3.009 10 0 DGAERO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccsc1Br ZINC000388766785 400268061 /nfs/dbraw/zinc/26/80/61/400268061.db2.gz YMWJDJDOHVJZOV-JTQLQIEISA-N 1 0 306.269 3.397 10 0 DGAERO CC(C)[N@H+](C)CCCNCc1ccsc1Br ZINC000389002794 400269449 /nfs/dbraw/zinc/26/94/49/400269449.db2.gz ZULIPEMJADPZHW-UHFFFAOYSA-N 1 0 305.285 3.331 10 0 DGAERO C[C@H]([NH2+]CCOCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000390233778 400270971 /nfs/dbraw/zinc/27/09/71/400270971.db2.gz JIAQJGHLFRFTRP-AWEZNQCLSA-N 1 0 300.358 3.462 10 0 DGAERO Cc1ccc(SCC(=O)NC2CC[NH+](C3CC3)CC2)cc1C ZINC000028228890 400287234 /nfs/dbraw/zinc/28/72/34/400287234.db2.gz SNWAKGAVKMYNEH-UHFFFAOYSA-N 1 0 318.486 3.139 10 0 DGAERO COc1ccc([C@@H]2[C@@H]3C[N@H+](C)C[C@H]3CN2Cc2ccccc2)cc1 ZINC000409430776 400301306 /nfs/dbraw/zinc/30/13/06/400301306.db2.gz NGGDENQKQQBPEO-CEWLAPEOSA-N 1 0 322.452 3.430 10 0 DGAERO CC(C)c1ccc([C@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409423962 400301596 /nfs/dbraw/zinc/30/15/96/400301596.db2.gz WLFCDRDGDKHTRR-CVEARBPZSA-N 1 0 304.434 3.390 10 0 DGAERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1Br ZINC000029577340 400310813 /nfs/dbraw/zinc/31/08/13/400310813.db2.gz HUKYYUSLRLVQHY-WDEREUQCSA-N 1 0 313.239 3.410 10 0 DGAERO CCOCC[N@@H+]1CCN(CCc2ccccc2Cl)C[C@@H]1CC ZINC000106116769 400325061 /nfs/dbraw/zinc/32/50/61/400325061.db2.gz KWXFNUIQMJUSMJ-KRWDZBQOSA-N 1 0 324.896 3.315 10 0 DGAERO CCCCNc1ccc(C(=O)OC2CC[NH+](CC)CC2)c(O)c1 ZINC000033875519 400384681 /nfs/dbraw/zinc/38/46/81/400384681.db2.gz XTTXUFVKBRLTCR-UHFFFAOYSA-N 1 0 320.433 3.245 10 0 DGAERO [NH3+]Cc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12 ZINC000034925734 400386957 /nfs/dbraw/zinc/38/69/57/400386957.db2.gz BEPYYYYBSCXSHK-UHFFFAOYSA-N 1 0 309.760 3.057 10 0 DGAERO COc1ccc(CN(C(=O)C[NH2+][C@H](C)C(C)(C)C)C2CC2)cc1 ZINC000114474525 400387104 /nfs/dbraw/zinc/38/71/04/400387104.db2.gz QUCQACLVZJQYCW-CQSZACIVSA-N 1 0 318.461 3.210 10 0 DGAERO c1cnc(-c2ccc3c(c2)OC2(C3)CC[NH+](C3CCC3)CC2)cn1 ZINC000114728937 400389333 /nfs/dbraw/zinc/38/93/33/400389333.db2.gz ZBPJRWXJZSDHLB-UHFFFAOYSA-N 1 0 321.424 3.466 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cncs1)c1ccccc1 ZINC000610953228 400327937 /nfs/dbraw/zinc/32/79/37/400327937.db2.gz RGBKIHCGTRWTIR-CQSZACIVSA-N 1 0 304.415 3.173 10 0 DGAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)C(C)C)c1 ZINC000114910815 400390552 /nfs/dbraw/zinc/39/05/52/400390552.db2.gz NHTXSUAPFDSCBW-INIZCTEOSA-N 1 0 305.466 3.113 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCCc1ccccc1 ZINC000589883882 400337136 /nfs/dbraw/zinc/33/71/36/400337136.db2.gz GDPUNMJHTKOGHL-SFHVURJKSA-N 1 0 302.462 3.390 10 0 DGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)C(C)(C)C ZINC000112463409 400373235 /nfs/dbraw/zinc/37/32/35/400373235.db2.gz HMKVMAONPCBYPI-OAHLLOKOSA-N 1 0 305.466 3.194 10 0 DGAERO CCc1ccc([C@H](CNC(=O)Cc2ccccc2)[NH+](C)C)cc1 ZINC000032735556 400374927 /nfs/dbraw/zinc/37/49/27/400374927.db2.gz FBQJIGPTHYCILO-IBGZPJMESA-N 1 0 310.441 3.211 10 0 DGAERO COC(=O)[C@H](C[NH+](C)C)c1ccc(OCc2ccccc2)cc1 ZINC000115159369 400394019 /nfs/dbraw/zinc/39/40/19/400394019.db2.gz RBFIDMIOINKEON-GOSISDBHSA-N 1 0 313.397 3.084 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N3CCCC[C@H]3C[NH+](C)C)cc21 ZINC000116750598 400413399 /nfs/dbraw/zinc/41/33/99/400413399.db2.gz GROXZKAPJASWGJ-AWEZNQCLSA-N 1 0 317.408 3.172 10 0 DGAERO C[C@H]1CCC[N@@H+]1CCCOc1ccc(N2CCCCC2=O)cc1 ZINC000117075986 400414106 /nfs/dbraw/zinc/41/41/06/400414106.db2.gz HPXLQELZQPHGRU-INIZCTEOSA-N 1 0 316.445 3.457 10 0 DGAERO O=C(Nc1ccc([C@H]2CC[NH2+]C2)nc1)c1ccc(Cl)cc1 ZINC000117724607 400420931 /nfs/dbraw/zinc/42/09/31/400420931.db2.gz ABRIYQXZDGDZAN-LBPRGKRZSA-N 1 0 301.777 3.064 10 0 DGAERO CC1(C)CCc2ccc(-c3cccc(N4CC[NH2+]CC4)n3)cc21 ZINC000117791436 400421717 /nfs/dbraw/zinc/42/17/17/400421717.db2.gz LDOJNWZRYCODPS-UHFFFAOYSA-N 1 0 307.441 3.382 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCCC[C@H]2C(C)C)CC1 ZINC000117488272 400418576 /nfs/dbraw/zinc/41/85/76/400418576.db2.gz ZROSYFIPZVWJTG-KRWDZBQOSA-N 1 0 309.498 3.329 10 0 DGAERO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000118867698 400431956 /nfs/dbraw/zinc/43/19/56/400431956.db2.gz MXKXGCSOWKXKQM-KRWDZBQOSA-N 1 0 317.477 3.194 10 0 DGAERO Oc1ccc2c(c1)CC[N@@H+](CCOc1ccc(F)cc1)CC2 ZINC000590785200 400434505 /nfs/dbraw/zinc/43/45/05/400434505.db2.gz MNXCUJQRLBFKJM-UHFFFAOYSA-N 1 0 301.361 3.011 10 0 DGAERO CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1CCCC1 ZINC000127962823 400508778 /nfs/dbraw/zinc/50/87/78/400508778.db2.gz QXJISQKYUHDCQK-KRWDZBQOSA-N 1 0 317.477 3.133 10 0 DGAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCc1cccc2ccccc21 ZINC000124504651 400476987 /nfs/dbraw/zinc/47/69/87/400476987.db2.gz IUDBLZIGIYLYCD-YJBOKZPZSA-N 1 0 310.441 3.358 10 0 DGAERO Cc1ccc(-c2noc(CN3CCC[C@@H](n4ccnc4)C3)n2)cc1 ZINC000591082509 400484665 /nfs/dbraw/zinc/48/46/65/400484665.db2.gz HIIILHNRUSCVBM-MRXNPFEDSA-N 1 0 323.400 3.079 10 0 DGAERO Cc1nc2cc(NC(=O)[C@H](C)[NH+]3CCCCCC3)ccc2o1 ZINC000074189832 400495436 /nfs/dbraw/zinc/49/54/36/400495436.db2.gz BRWIOSFRCNJTIH-LBPRGKRZSA-N 1 0 301.390 3.339 10 0 DGAERO CSCCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000134512569 400578411 /nfs/dbraw/zinc/57/84/11/400578411.db2.gz OOSMHHPFKOSMRO-UHFFFAOYSA-N 1 0 306.475 3.042 10 0 DGAERO COC[C@H](CC(C)C)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000357996482 285938638 /nfs/dbraw/zinc/93/86/38/285938638.db2.gz RWCPCYZFMPZDSJ-SFHVURJKSA-N 1 0 301.434 3.082 10 0 DGAERO COc1ccccc1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000075134371 400562167 /nfs/dbraw/zinc/56/21/67/400562167.db2.gz GQDYNYMWPVYSDA-OAHLLOKOSA-N 1 0 317.433 3.177 10 0 DGAERO c1csc(CCC[NH2+]Cc2nccn2Cc2ccccc2)n1 ZINC000076892348 400678821 /nfs/dbraw/zinc/67/88/21/400678821.db2.gz TYSPPADMLNMBLU-UHFFFAOYSA-N 1 0 312.442 3.110 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC[NH+]2CCCC2)cc1 ZINC000076944120 400680606 /nfs/dbraw/zinc/68/06/06/400680606.db2.gz DKEXUVOBGSLMMF-ZWKOTPCHSA-N 1 0 300.446 3.126 10 0 DGAERO CCOc1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1C ZINC000603446144 400688122 /nfs/dbraw/zinc/68/81/22/400688122.db2.gz NJVDXCPJVXXGMS-UHFFFAOYSA-N 1 0 322.368 3.227 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cc(C)ccc2F)CC1 ZINC000157650284 400718928 /nfs/dbraw/zinc/71/89/28/400718928.db2.gz GWPAVCSMJBTTKG-UHFFFAOYSA-N 1 0 307.413 3.378 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000077526243 400724076 /nfs/dbraw/zinc/72/40/76/400724076.db2.gz OQKHTCBVCZWXNP-SJORKVTESA-N 1 0 317.477 3.337 10 0 DGAERO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3nccn3c2)o1 ZINC000603881597 400728694 /nfs/dbraw/zinc/72/86/94/400728694.db2.gz GWNKKLUGQKSMHA-UHFFFAOYSA-N 1 0 312.373 3.021 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@@H](Nc3ncnc4ccccc43)C2)cc1 ZINC000052713055 400744583 /nfs/dbraw/zinc/74/45/83/400744583.db2.gz VJHRTMUUHCCRHK-MRXNPFEDSA-N 1 0 304.397 3.316 10 0 DGAERO Cc1ccc(NC(=O)N[C@H](C)C(C)(C)C)c(OCC[NH+](C)C)c1 ZINC000154628715 400697036 /nfs/dbraw/zinc/69/70/36/400697036.db2.gz CESDOMTWTBLTFY-CQSZACIVSA-N 1 0 321.465 3.492 10 0 DGAERO CSCC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000154760896 400697742 /nfs/dbraw/zinc/69/77/42/400697742.db2.gz MADJAPVTMLHLOX-VIFPVBQESA-N 1 0 306.244 3.472 10 0 DGAERO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3nccn3c2)cc1 ZINC000603786149 400715351 /nfs/dbraw/zinc/71/53/51/400715351.db2.gz QXCMXRXTJBFKAR-UHFFFAOYSA-N 1 0 322.412 3.428 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000157320538 400716071 /nfs/dbraw/zinc/71/60/71/400716071.db2.gz XVIUEMGKGISHIH-ROUUACIJSA-N 1 0 319.445 3.284 10 0 DGAERO CC(C)(C)SCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000078568621 400810191 /nfs/dbraw/zinc/81/01/91/400810191.db2.gz ARNPKXDFAKYURZ-UHFFFAOYSA-N 1 0 320.502 3.253 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCC3CC3)cc2)C1 ZINC000172229987 400816799 /nfs/dbraw/zinc/81/67/99/400816799.db2.gz SOHJQNHWLFDIRU-MRXNPFEDSA-N 1 0 317.433 3.081 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000054307874 400817632 /nfs/dbraw/zinc/81/76/32/400817632.db2.gz PTWCYEAIULMOSS-CQSZACIVSA-N 1 0 306.837 3.221 10 0 DGAERO Cc1nc(NC(=O)NCCC[NH2+]C2CCCCC2)sc1C ZINC000170698849 400769996 /nfs/dbraw/zinc/76/99/96/400769996.db2.gz KKWXPCOWMHAILI-UHFFFAOYSA-N 1 0 310.467 3.194 10 0 DGAERO c1cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc2c1CCC2 ZINC000604385039 400770576 /nfs/dbraw/zinc/77/05/76/400770576.db2.gz LFMUOZRGHGOEMW-UHFFFAOYSA-N 1 0 322.456 3.093 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000170807396 400775445 /nfs/dbraw/zinc/77/54/45/400775445.db2.gz FLURRVYCCCYZPH-QAPCUYQASA-N 1 0 315.461 3.270 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000170807402 400775454 /nfs/dbraw/zinc/77/54/54/400775454.db2.gz FLURRVYCCCYZPH-CRAIPNDOSA-N 1 0 315.461 3.270 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000170858256 400777653 /nfs/dbraw/zinc/77/76/53/400777653.db2.gz FQBPRUZLBAOCBP-INIZCTEOSA-N 1 0 320.864 3.314 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)CSc2ccc(C(C)(C)C)cc2)C1 ZINC000170856651 400777863 /nfs/dbraw/zinc/77/78/63/400777863.db2.gz MCCFKEQVMTYJHO-HNNXBMFYSA-N 1 0 320.502 3.239 10 0 DGAERO CC(C)COC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000054324956 400819541 /nfs/dbraw/zinc/81/95/41/400819541.db2.gz NKZCOBURLPUIFO-UHFFFAOYSA-N 1 0 323.408 3.329 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000171405077 400798820 /nfs/dbraw/zinc/79/88/20/400798820.db2.gz XWSNEKRHWMGCQH-QGZVFWFLSA-N 1 0 316.832 3.302 10 0 DGAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1cccc(Br)c1 ZINC000054686296 400835284 /nfs/dbraw/zinc/83/52/84/400835284.db2.gz QTSUNQZDVPZLSE-GJZGRUSLSA-N 1 0 306.203 3.053 10 0 DGAERO COC(=O)c1ccc(Cl)c(C[NH2+]CCOCC2CCC2)c1 ZINC000619509285 400857798 /nfs/dbraw/zinc/85/77/98/400857798.db2.gz BNAAHIQTDIUGIR-UHFFFAOYSA-N 1 0 311.809 3.033 10 0 DGAERO CCC(CC)[C@H](CNC(=O)NCCCC1CC1)[NH+]1CCCC1 ZINC000605953171 400889789 /nfs/dbraw/zinc/88/97/89/400889789.db2.gz YFZVKHVSEBQVDJ-KRWDZBQOSA-N 1 0 309.498 3.376 10 0 DGAERO CC(C)CCn1cccc1C[NH2+]CC(=O)NC1CCCCC1 ZINC000606470031 400917373 /nfs/dbraw/zinc/91/73/73/400917373.db2.gz HGYVMZWKALDHAA-UHFFFAOYSA-N 1 0 305.466 3.073 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000606489122 400921342 /nfs/dbraw/zinc/92/13/42/400921342.db2.gz ZRIUIZJOMQEJQJ-SJORKVTESA-N 1 0 317.477 3.130 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000606561487 400928460 /nfs/dbraw/zinc/92/84/60/400928460.db2.gz JEOWJTLVTFERLF-IRXDYDNUSA-N 1 0 317.477 3.128 10 0 DGAERO Cc1c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1N(C)C ZINC000245912589 401017212 /nfs/dbraw/zinc/01/72/12/401017212.db2.gz PLZRKBMLLYGHAD-DZGCQCFKSA-N 1 0 318.465 3.007 10 0 DGAERO c1ncn(-c2ccc(C[NH2+][C@@H]3CSc4ccccc43)cc2)n1 ZINC000358193538 285994730 /nfs/dbraw/zinc/99/47/30/285994730.db2.gz RFXJZGYMNXBSSZ-MRXNPFEDSA-N 1 0 308.410 3.204 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000247465133 401055601 /nfs/dbraw/zinc/05/56/01/401055601.db2.gz RKQRCTDMPXVJFQ-FUHWJXTLSA-N 1 0 302.462 3.116 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCc3ccccc32)[C@H]1c1ccccc1 ZINC000248055235 401065069 /nfs/dbraw/zinc/06/50/69/401065069.db2.gz OJOBCBXHAWOXQV-IEBWSBKVSA-N 1 0 321.424 3.204 10 0 DGAERO Cc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)N2CCCCCC2)cc1 ZINC000248040581 401065456 /nfs/dbraw/zinc/06/54/56/401065456.db2.gz VLHHVPDHFXCILG-QGZVFWFLSA-N 1 0 318.461 3.097 10 0 DGAERO CC[NH+]1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000058873777 401076507 /nfs/dbraw/zinc/07/65/07/401076507.db2.gz ODJGDTZFWKCBJY-UHFFFAOYSA-N 1 0 303.233 3.010 10 0 DGAERO c1ccc(C[C@@H]2CCC[N@@H+](CCOC3CCOCC3)C2)cc1 ZINC000625148872 401042956 /nfs/dbraw/zinc/04/29/56/401042956.db2.gz FDYILLOFBCADLU-SFHVURJKSA-N 1 0 303.446 3.137 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000607660443 401103183 /nfs/dbraw/zinc/10/31/83/401103183.db2.gz NLRWBYKUTCIHQP-BZNIZROVSA-N 1 0 319.836 3.234 10 0 DGAERO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H](C)c1nc2ccccc2s1 ZINC000358234556 286006206 /nfs/dbraw/zinc/00/62/06/286006206.db2.gz HBBCMDCGFILGJO-VXGBXAGGSA-N 1 0 300.431 3.312 10 0 DGAERO CCOc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1F ZINC000262366986 401116783 /nfs/dbraw/zinc/11/67/83/401116783.db2.gz XBTAFOPITQQLKS-GLQYFDAESA-N 1 0 306.381 3.084 10 0 DGAERO CCS[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262481342 401118114 /nfs/dbraw/zinc/11/81/14/401118114.db2.gz RWCCOUKSIFCSPO-JKJDWNRSSA-N 1 0 310.507 3.088 10 0 DGAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCN1CC=C(C)CC1 ZINC000358222225 286001828 /nfs/dbraw/zinc/00/18/28/286001828.db2.gz JTOFPRNOOYNZSQ-SFHVURJKSA-N 1 0 300.446 3.450 10 0 DGAERO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1c[nH]c2cc(Cl)ccc12 ZINC000594648227 401140667 /nfs/dbraw/zinc/14/06/67/401140667.db2.gz PDJKPSVRQZGBCW-ZDUSSCGKSA-N 1 0 317.820 3.035 10 0 DGAERO C(=C/[C@H]1CCC[N@H+]1CCOC1CCOCC1)\c1ccccc1 ZINC000625316032 401097000 /nfs/dbraw/zinc/09/70/00/401097000.db2.gz VCQFKRCMWLZDGT-GFOMBABLSA-N 1 0 301.430 3.360 10 0 DGAERO C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccs1 ZINC000061258878 401149924 /nfs/dbraw/zinc/14/99/24/401149924.db2.gz ORXIPPMKSBPKIE-QLFBSQMISA-N 1 0 323.506 3.476 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000615795755 401154039 /nfs/dbraw/zinc/15/40/39/401154039.db2.gz KQJPAGFGHYUJNJ-CVEARBPZSA-N 1 0 305.418 3.086 10 0 DGAERO CC1=CCN(CC[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000358243930 286009242 /nfs/dbraw/zinc/00/92/42/286009242.db2.gz VMTBSJXJPUDZLX-KRWDZBQOSA-N 1 0 304.409 3.281 10 0 DGAERO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)cc1OC ZINC000358284102 286020239 /nfs/dbraw/zinc/02/02/39/286020239.db2.gz DVKOEUGUIGGWHY-ZYHUDNBSSA-N 1 0 321.396 3.156 10 0 DGAERO C[C@@H](Nc1nn2cc(C(C)(C)C)nc2s1)C(C)(C)C[NH+](C)C ZINC000085688220 401173892 /nfs/dbraw/zinc/17/38/92/401173892.db2.gz GBENZFMAXZXHLD-LLVKDONJSA-N 1 0 323.510 3.477 10 0 DGAERO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1cn(C)nn1 ZINC000608056583 401177574 /nfs/dbraw/zinc/17/75/74/401177574.db2.gz JCGZWULYKCXDBC-GFCCVEGCSA-N 1 0 313.232 3.233 10 0 DGAERO COc1cc(C[NH2+]CC2CC(C)C2)cc(Br)c1O ZINC000621383120 401193510 /nfs/dbraw/zinc/19/35/10/401193510.db2.gz RQGVCTKJUJQEJM-UHFFFAOYSA-N 1 0 314.223 3.299 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000608226288 401210113 /nfs/dbraw/zinc/21/01/13/401210113.db2.gz LYUSCACTUWNVJU-ZDUSSCGKSA-N 1 0 319.836 3.378 10 0 DGAERO c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)o2)cc1 ZINC000625773327 401212330 /nfs/dbraw/zinc/21/23/30/401212330.db2.gz RBFWGKDYXMRVKO-KGLIPLIRSA-N 1 0 301.415 3.207 10 0 DGAERO c1ccc(COc2ccnc(NC3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000089588146 401227240 /nfs/dbraw/zinc/22/72/40/401227240.db2.gz NYEFLOMGJXGYGF-UHFFFAOYSA-N 1 0 324.428 3.094 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1C ZINC000626136935 401310941 /nfs/dbraw/zinc/31/09/41/401310941.db2.gz NONJSPMALNRJFT-KVSKMBFKSA-N 1 0 301.430 3.160 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CCc2cnccc2C)c2ccccc21 ZINC000621764902 401297782 /nfs/dbraw/zinc/29/77/82/401297782.db2.gz ODZQDKJBVAGKHN-GOSISDBHSA-N 1 0 309.413 3.020 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccc(Cl)s1 ZINC000634951068 401386463 /nfs/dbraw/zinc/38/64/63/401386463.db2.gz LWGJNNCVDFKBOG-VHSXEESVSA-N 1 0 307.868 3.019 10 0 DGAERO c1cc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)n(CC2CCC2)n1 ZINC000631090011 401390342 /nfs/dbraw/zinc/39/03/42/401390342.db2.gz DVAZFWGVFKABEH-VAMGGRTRSA-N 1 0 307.441 3.359 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1c(F)cccc1Cl ZINC000634967439 401391413 /nfs/dbraw/zinc/39/14/13/401391413.db2.gz OMGYNTWWHDSIQP-WDEREUQCSA-N 1 0 319.829 3.097 10 0 DGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634976099 401393384 /nfs/dbraw/zinc/39/33/84/401393384.db2.gz NPTJTNWDLGFXAI-OWCLPIDISA-N 1 0 301.496 3.148 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3cccnc3)[C@H]21 ZINC000631191205 401421222 /nfs/dbraw/zinc/42/12/22/401421222.db2.gz DHFXUGJNJUFLRV-IMJJTQAJSA-N 1 0 315.214 3.272 10 0 DGAERO Cc1c[nH]c(CN[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000631205398 401425982 /nfs/dbraw/zinc/42/59/82/401425982.db2.gz OMOVALUFDZLVJP-GOSISDBHSA-N 1 0 312.461 3.253 10 0 DGAERO C[C@@H](CC1CCC1)[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000631251624 401437535 /nfs/dbraw/zinc/43/75/35/401437535.db2.gz BZVZSGOWVADWTQ-NSHDSACASA-N 1 0 315.866 3.412 10 0 DGAERO C/C(=C\c1ccccc1)CN(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627129715 401447376 /nfs/dbraw/zinc/44/73/76/401447376.db2.gz RBNDEZMUDJIBQS-VOGRQWBCSA-N 1 0 313.445 3.016 10 0 DGAERO CCC(F)(F)C(C)(C)C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000623401051 401508285 /nfs/dbraw/zinc/50/82/85/401508285.db2.gz PFWBNKSJNJNFRC-HNNXBMFYSA-N 1 0 315.404 3.225 10 0 DGAERO c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000631611538 401514164 /nfs/dbraw/zinc/51/41/64/401514164.db2.gz WEGQXWZYSIRHEU-BBWFWOEESA-N 1 0 310.401 3.027 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@@H]3CCCOCC3)[C@H]21 ZINC000631665271 401529056 /nfs/dbraw/zinc/52/90/56/401529056.db2.gz QBZOBMJMTULQSS-SUZRMVIJSA-N 1 0 322.246 3.246 10 0 DGAERO COC[C@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)OC ZINC000358437186 286062622 /nfs/dbraw/zinc/06/26/22/286062622.db2.gz FDAUHNRQELUNNF-LSDHHAIUSA-N 1 0 317.351 3.408 10 0 DGAERO Brc1ccc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC000631885898 401563845 /nfs/dbraw/zinc/56/38/45/401563845.db2.gz CLCVEJYMMABAMK-CMPLNLGQSA-N 1 0 315.280 3.085 10 0 DGAERO Brc1cccc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890333 401564761 /nfs/dbraw/zinc/56/47/61/401564761.db2.gz QWTXORMGFICUOI-UKRRQHHQSA-N 1 0 309.251 3.023 10 0 DGAERO Brc1cccc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890334 401564850 /nfs/dbraw/zinc/56/48/50/401564850.db2.gz QWTXORMGFICUOI-ZFWWWQNUSA-N 1 0 309.251 3.023 10 0 DGAERO c1ccc(OCc2ccncc2)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000623753407 401576730 /nfs/dbraw/zinc/57/67/30/401576730.db2.gz YKUYCBSJDQICMD-ICSRJNTNSA-N 1 0 324.424 3.318 10 0 DGAERO c1ccc([C@@H]2CO[C@H](C[NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000628339319 401578321 /nfs/dbraw/zinc/57/83/21/401578321.db2.gz KYDRGBVTFKDXCA-WMZOPIPTSA-N 1 0 319.408 3.292 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000623823395 401583429 /nfs/dbraw/zinc/58/34/29/401583429.db2.gz ZTASDEITRGTCRW-WVSHTKLVSA-N 1 0 302.187 3.103 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000623823254 401583434 /nfs/dbraw/zinc/58/34/34/401583434.db2.gz UGOWMYMLEQJEHD-WVSHTKLVSA-N 1 0 302.187 3.103 10 0 DGAERO O=C1[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CCN1C1CCC1 ZINC000623840072 401586108 /nfs/dbraw/zinc/58/61/08/401586108.db2.gz MNOXRMSOBWQNFW-CQSZACIVSA-N 1 0 313.228 3.236 10 0 DGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1ccsc1Br ZINC000623561942 401547020 /nfs/dbraw/zinc/54/70/20/401547020.db2.gz CCVCRTVQAKPQGE-NSHDSACASA-N 1 0 317.296 3.473 10 0 DGAERO Cc1nc(C)c(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000628210421 401551108 /nfs/dbraw/zinc/55/11/08/401551108.db2.gz WGFAKJSTPAWREG-GOSISDBHSA-N 1 0 313.445 3.293 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623601376 401553997 /nfs/dbraw/zinc/55/39/97/401553997.db2.gz BEQYNWUSQLLQDC-IBGZPJMESA-N 1 0 319.408 3.308 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+]C[C@@H]1CCOc3ccccc31)C2 ZINC000623602272 401554145 /nfs/dbraw/zinc/55/41/45/401554145.db2.gz JFENOJCBZHXYCM-WMZOPIPTSA-N 1 0 309.409 3.284 10 0 DGAERO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632855753 401632413 /nfs/dbraw/zinc/63/24/13/401632413.db2.gz UGDNHYCUUPZKPR-QMTHXVAHSA-N 1 0 313.228 3.208 10 0 DGAERO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cncc(Br)c1 ZINC000624224214 401641274 /nfs/dbraw/zinc/64/12/74/401641274.db2.gz QASYIJCANOPUEU-FZZIBODNSA-N 1 0 311.223 3.062 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000624222889 401641315 /nfs/dbraw/zinc/64/13/15/401641315.db2.gz ITPDYLRNBYYJRQ-ZAAXVRCTSA-N 1 0 323.440 3.407 10 0 DGAERO Cc1nn(C)c(C[N@@H+]2CCCC3(CC3)CC2)c1Br ZINC000628480351 401605243 /nfs/dbraw/zinc/60/52/43/401605243.db2.gz SMTNRXRSDKSQNC-UHFFFAOYSA-N 1 0 312.255 3.257 10 0 DGAERO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc(Br)cc2F)C1 ZINC000624385556 401657055 /nfs/dbraw/zinc/65/70/55/401657055.db2.gz GUAGDQHVHQVQQU-JTQLQIEISA-N 1 0 316.218 3.268 10 0 DGAERO c1nc(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cs1 ZINC000624476076 401664164 /nfs/dbraw/zinc/66/41/64/401664164.db2.gz QPRHSOHTDUPQNV-OAHLLOKOSA-N 1 0 322.437 3.247 10 0 DGAERO C[C@H](CSc1nnc(Cc2cccs2)n1C1CC1)[NH+](C)C ZINC000358850028 286169211 /nfs/dbraw/zinc/16/92/11/286169211.db2.gz FUTWCGRXLRVDPZ-LLVKDONJSA-N 1 0 322.503 3.308 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)c2cc(C(C)=O)cs2)CC1 ZINC000358875062 286175071 /nfs/dbraw/zinc/17/50/71/286175071.db2.gz RZNLFGHEZJUQBN-UHFFFAOYSA-N 1 0 322.474 3.145 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]C3(Cc4ccccc4)CC3)cc2)n1 ZINC000358967400 286201108 /nfs/dbraw/zinc/20/11/08/286201108.db2.gz QHPNLJFSEXNCAE-UHFFFAOYSA-N 1 0 304.397 3.132 10 0 DGAERO Cn1ccc([C@H]([NH2+]CC[C@H]2CCCCO2)c2ccc(F)cc2)n1 ZINC000359242539 286267716 /nfs/dbraw/zinc/26/77/16/286267716.db2.gz QCOZKWBJQYFLDO-SJLPKXTDSA-N 1 0 317.408 3.197 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000228593521 292247352 /nfs/dbraw/zinc/24/73/52/292247352.db2.gz AAWKPINYYSEBOP-NWANDNLSSA-N 1 0 313.438 3.141 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCSCC)C12CCOCC2 ZINC000249021736 286291595 /nfs/dbraw/zinc/29/15/95/286291595.db2.gz QTOKETSECINHJJ-RBSFLKMASA-N 1 0 301.496 3.082 10 0 DGAERO Cn1ncc(Br)c1CNc1cc2c(c[nH+]1)CCCC2 ZINC000359469936 286315285 /nfs/dbraw/zinc/31/52/85/286315285.db2.gz IKTAHYKSZXLGTD-UHFFFAOYSA-N 1 0 321.222 3.069 10 0 DGAERO COc1ccc(F)c(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000187509461 286319283 /nfs/dbraw/zinc/31/92/83/286319283.db2.gz WNYANTQWOGXPAK-ZDUSSCGKSA-N 1 0 323.412 3.220 10 0 DGAERO OCCC1([NH2+]Cc2ccc(Br)o2)CCCCC1 ZINC000359744310 286372628 /nfs/dbraw/zinc/37/26/28/286372628.db2.gz AJVGUAADWOBBPK-UHFFFAOYSA-N 1 0 302.212 3.217 10 0 DGAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360044558 286413684 /nfs/dbraw/zinc/41/36/84/286413684.db2.gz GAWFVELCYIWJGB-NUJGCVRESA-N 1 0 317.477 3.223 10 0 DGAERO COCc1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1 ZINC000360273683 286453052 /nfs/dbraw/zinc/45/30/52/286453052.db2.gz IQWCUSUDWGTCEX-QGZVFWFLSA-N 1 0 313.397 3.153 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000360729801 286527885 /nfs/dbraw/zinc/52/78/85/286527885.db2.gz RYQZDFNMIXPBCT-ZBFHGGJFSA-N 1 0 315.442 3.252 10 0 DGAERO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000360826078 286539808 /nfs/dbraw/zinc/53/98/08/286539808.db2.gz RRBZJVDQNIXMPE-BONVTDFDSA-N 1 0 318.244 3.432 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)CCCO2 ZINC000127407721 292352375 /nfs/dbraw/zinc/35/23/75/292352375.db2.gz LGWOWNSRTCBDEG-BTYIYWSLSA-N 1 0 309.475 3.346 10 0 DGAERO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC000361209687 286624073 /nfs/dbraw/zinc/62/40/73/286624073.db2.gz UOWZKXZDVCEEEQ-XHDPSFHLSA-N 1 0 317.260 3.365 10 0 DGAERO COCCC[C@@H](C)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000187702630 292377919 /nfs/dbraw/zinc/37/79/19/292377919.db2.gz ZSGFZNSUZIPNCK-MJGOQNOKSA-N 1 0 304.478 3.446 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000361385885 286665585 /nfs/dbraw/zinc/66/55/85/286665585.db2.gz SYGFMUGAGRAAFW-HNNXBMFYSA-N 1 0 310.482 3.010 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+]CCC2CCCCC2)n1 ZINC000361613767 286700085 /nfs/dbraw/zinc/70/00/85/286700085.db2.gz ZHMCROWMVUMJNI-UHFFFAOYSA-N 1 0 310.463 3.422 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2ccc(F)cc2N(C)C)n1 ZINC000361922318 286745011 /nfs/dbraw/zinc/74/50/11/286745011.db2.gz HUKKNLTUJAWSDY-CYBMUJFWSA-N 1 0 317.408 3.189 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000361973075 286753336 /nfs/dbraw/zinc/75/33/36/286753336.db2.gz VJBCINGIFFNIOD-RNCFNFMXSA-N 1 0 301.217 3.265 10 0 DGAERO CC[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)O1 ZINC000362533095 286824175 /nfs/dbraw/zinc/82/41/75/286824175.db2.gz DVTBAZMAZWZTKB-RCCFBDPRSA-N 1 0 322.493 3.059 10 0 DGAERO C[C@@H]([NH3+])CC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000261929253 286909047 /nfs/dbraw/zinc/90/90/47/286909047.db2.gz YRYJNBOWEWERBA-DYVFJYSZSA-N 1 0 310.397 3.031 10 0 DGAERO C(c1nc(C2CC2)no1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000363473514 286929446 /nfs/dbraw/zinc/92/94/46/286929446.db2.gz CXHHIMOWWMHQAT-OAHLLOKOSA-N 1 0 318.465 3.035 10 0 DGAERO C[C@@H]([NH2+]CC(C)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000497030738 287016563 /nfs/dbraw/zinc/01/65/63/287016563.db2.gz WADGDJVOBONYHH-VXGBXAGGSA-N 1 0 306.397 3.267 10 0 DGAERO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364434217 287025925 /nfs/dbraw/zinc/02/59/25/287025925.db2.gz LWFMQXLEZWNATQ-QGZVFWFLSA-N 1 0 312.413 3.331 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1cnn(C)c1 ZINC000119674615 287037614 /nfs/dbraw/zinc/03/76/14/287037614.db2.gz OTYNXESXMOVFNM-VQIMIIECSA-N 1 0 312.461 3.125 10 0 DGAERO c1c(CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)nc2ccccn12 ZINC000364660430 287050036 /nfs/dbraw/zinc/05/00/36/287050036.db2.gz SCEBCDKGVCKDQQ-BPQIPLTHSA-N 1 0 313.445 3.062 10 0 DGAERO Cc1ccc(CC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)s1 ZINC000057048198 164555917 /nfs/dbraw/zinc/55/59/17/164555917.db2.gz DPIKHSPSAWXJCR-GUYCJALGSA-N 1 0 308.491 3.226 10 0 DGAERO C[C@H](NC(=O)c1ccnc(C[NH3+])c1)c1ccc(Cl)cc1Cl ZINC000129951882 164579087 /nfs/dbraw/zinc/57/90/87/164579087.db2.gz FSOGHYGIDPUTBX-VIFPVBQESA-N 1 0 324.211 3.338 10 0 DGAERO C[NH+](C)C1CCN(C(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000172227206 164654055 /nfs/dbraw/zinc/65/40/55/164654055.db2.gz DMHPPBVZXOVFSC-UHFFFAOYSA-N 1 0 317.433 3.033 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ncoc1-c1ccc(C)cc1 ZINC000173710411 164704302 /nfs/dbraw/zinc/70/43/02/164704302.db2.gz YGXRWONDCJAQBP-CQSZACIVSA-N 1 0 315.417 3.110 10 0 DGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CC(C)(C)c4ccccc43)C2)cn1 ZINC000178826562 164847952 /nfs/dbraw/zinc/84/79/52/164847952.db2.gz KIVTTXVVKXRHEK-DNVCBOLYSA-N 1 0 324.472 3.401 10 0 DGAERO CC1CC[NH+](C2CCC(NC(=O)Cc3ccccc3)CC2)CC1 ZINC000179066370 164851834 /nfs/dbraw/zinc/85/18/34/164851834.db2.gz PJVXYIUKUAEJRH-UHFFFAOYSA-N 1 0 314.473 3.388 10 0 DGAERO O=C1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CN1C1CC1 ZINC000180186414 164876336 /nfs/dbraw/zinc/87/63/36/164876336.db2.gz GHRSWZNITCMMJP-WMLDXEAASA-N 1 0 304.821 3.144 10 0 DGAERO CCc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1C ZINC000181967532 164926499 /nfs/dbraw/zinc/92/64/99/164926499.db2.gz VEHWNZBEJOUFCC-SJORKVTESA-N 1 0 301.434 3.258 10 0 DGAERO O[C@H]1c2ccccc2C[C@H]1[NH+]1CCC(OCC2CCCC2)CC1 ZINC000182835794 164945234 /nfs/dbraw/zinc/94/52/34/164945234.db2.gz PZAULSLIHGCYPF-UXHICEINSA-N 1 0 315.457 3.316 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000185060211 164991177 /nfs/dbraw/zinc/99/11/77/164991177.db2.gz TZHACAWWRSGBEX-CQSZACIVSA-N 1 0 302.418 3.447 10 0 DGAERO Cc1cccc2c(NC[C@@]3(CCO)CCOC3)c(C)c[nH+]c12 ZINC000185351579 165001679 /nfs/dbraw/zinc/00/16/79/165001679.db2.gz REBCLTZXXBSHAD-GOSISDBHSA-N 1 0 300.402 3.053 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](Cn2ccnn2)C1 ZINC000185359599 165001784 /nfs/dbraw/zinc/00/17/84/165001784.db2.gz FCQBCTNXYUIESE-INIZCTEOSA-N 1 0 321.428 3.360 10 0 DGAERO C[C@@]1(C(N)=O)CCCCN1Cc1ccc(Cl)c2cccnc12 ZINC000185885025 165020221 /nfs/dbraw/zinc/02/02/21/165020221.db2.gz MRKJBJOERZMRIZ-KRWDZBQOSA-N 1 0 317.820 3.118 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000186108550 165027779 /nfs/dbraw/zinc/02/77/79/165027779.db2.gz IOWZFKXJVRWBMZ-CYBMUJFWSA-N 1 0 317.458 3.471 10 0 DGAERO CCC[C@@H](C(=O)N1CC[C@@H](c2c(F)cccc2F)C1)[NH+](C)C ZINC000186185992 165032216 /nfs/dbraw/zinc/03/22/16/165032216.db2.gz KIIBJCMOWADPPI-DOMZBBRYSA-N 1 0 310.388 3.011 10 0 DGAERO Cc1ccccc1CNC(=O)CN1Cc2ccccc2C2(CC2)C1 ZINC000186224834 165033650 /nfs/dbraw/zinc/03/36/50/165033650.db2.gz MKAXIRSAFKCYRG-UHFFFAOYSA-N 1 0 320.436 3.159 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)C12CCOCC2 ZINC000186332067 165039909 /nfs/dbraw/zinc/03/99/09/165039909.db2.gz MMKAHFXXIUQAPL-QXAKKESOSA-N 1 0 315.457 3.280 10 0 DGAERO O=C(CCc1ccccc1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186528986 165048460 /nfs/dbraw/zinc/04/84/60/165048460.db2.gz ZZKAFXMBRGBAHV-AWEZNQCLSA-N 1 0 306.837 3.016 10 0 DGAERO C[C@@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1ccc(Cl)s1 ZINC000186537103 165048508 /nfs/dbraw/zinc/04/85/08/165048508.db2.gz GTLKCNRXHYNOPO-MNOVXSKESA-N 1 0 312.866 3.248 10 0 DGAERO O=C(CCN1CCC[C@H]1C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000186926162 165067475 /nfs/dbraw/zinc/06/74/75/165067475.db2.gz RCLQVROAMGAZNE-HNNXBMFYSA-N 1 0 322.399 3.098 10 0 DGAERO Cc1ccc(N2CCC[N@H+](CCCCc3ccccc3)CC2)nn1 ZINC000186963528 165068871 /nfs/dbraw/zinc/06/88/71/165068871.db2.gz KSVJFNQGWSRIFG-UHFFFAOYSA-N 1 0 324.472 3.320 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccc(Cl)s1 ZINC000186967624 165069709 /nfs/dbraw/zinc/06/97/09/165069709.db2.gz UZPXZUYMEVFUOC-UWVGGRQHSA-N 1 0 321.895 3.265 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc2ccc(OC)cc2s1 ZINC000187109309 165077258 /nfs/dbraw/zinc/07/72/58/165077258.db2.gz YGSHCUZVWDYVSS-ZDUSSCGKSA-N 1 0 319.474 3.221 10 0 DGAERO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc(C)nc1C)c1ccccc1 ZINC000187281949 165083499 /nfs/dbraw/zinc/08/34/99/165083499.db2.gz ANKFPFVHACUFRA-RDTXWAMCSA-N 1 0 312.413 3.338 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)N2Cc3ccccc3C3(CC3)C2)cc1 ZINC000187286424 165083634 /nfs/dbraw/zinc/08/36/34/165083634.db2.gz NTGRIEOPSKRWBH-UHFFFAOYSA-N 1 0 320.436 3.436 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C)n1 ZINC000187300564 165085570 /nfs/dbraw/zinc/08/55/70/165085570.db2.gz VIQZATBYAAPPSC-MRXNPFEDSA-N 1 0 311.433 3.004 10 0 DGAERO CCC[C@@H]([NH2+][C@@H]1CCc2nc(CC)nn2C1)c1ccsc1 ZINC000187777165 165103564 /nfs/dbraw/zinc/10/35/64/165103564.db2.gz VVNWZAOWOLUTNH-ZIAGYGMSSA-N 1 0 304.463 3.348 10 0 DGAERO Cc1coc(-c2ccc(C)c(NC(=O)c3coc(C[NH3+])c3)c2)n1 ZINC000187989415 165109650 /nfs/dbraw/zinc/10/96/50/165109650.db2.gz NETWONIKAXXBDC-UHFFFAOYSA-N 1 0 311.341 3.262 10 0 DGAERO Cc1c2cc(F)ccc2sc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188605885 165128135 /nfs/dbraw/zinc/12/81/35/165128135.db2.gz LNIPMQIPEVGBJH-UHFFFAOYSA-N 1 0 318.417 3.269 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)c2snnc2C(C)(C)C)c1 ZINC000188602907 165128988 /nfs/dbraw/zinc/12/89/88/165128988.db2.gz UPFPHGABURBUOR-UHFFFAOYSA-N 1 0 318.446 3.150 10 0 DGAERO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000188731601 165134175 /nfs/dbraw/zinc/13/41/75/165134175.db2.gz NYYKRBVYELZWBC-DLBZAZTESA-N 1 0 307.459 3.009 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000188830318 165140059 /nfs/dbraw/zinc/14/00/59/165140059.db2.gz LJUVJBNFEYEANS-CQSZACIVSA-N 1 0 323.481 3.278 10 0 DGAERO CC1CCC([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000189053176 165147801 /nfs/dbraw/zinc/14/78/01/165147801.db2.gz XQIQVIJFUQEEMW-QWFMPGPPSA-N 1 0 304.409 3.095 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189517951 165164327 /nfs/dbraw/zinc/16/43/27/165164327.db2.gz JNSHNVDFDIDGQI-UHFFFAOYSA-N 1 0 313.445 3.341 10 0 DGAERO CCc1nnc(C2CC[NH+](CCCc3ccccc3C)CC2)[nH]1 ZINC000190695929 165212761 /nfs/dbraw/zinc/21/27/61/165212761.db2.gz QDDWIJBPOQNHRU-UHFFFAOYSA-N 1 0 312.461 3.488 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1cccc(-n2ccnc2)c1 ZINC000191078105 165228882 /nfs/dbraw/zinc/22/88/82/165228882.db2.gz STACRJUOXXLBQZ-HNAYVOBHSA-N 1 0 313.445 3.464 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000191078295 165228891 /nfs/dbraw/zinc/22/88/91/165228891.db2.gz WRWAOCZZVMFHSV-DNVCBOLYSA-N 1 0 313.445 3.464 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@@H](O)C2CCCCC2)c(OC)c1 ZINC000191226649 165237764 /nfs/dbraw/zinc/23/77/64/165237764.db2.gz DNQXLVHFWFPJMM-QGZVFWFLSA-N 1 0 307.434 3.077 10 0 DGAERO Fc1ccc(F)c(CC[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000191269865 165240187 /nfs/dbraw/zinc/24/01/87/165240187.db2.gz NERLHZUGZQZHAL-UHFFFAOYSA-N 1 0 313.351 3.483 10 0 DGAERO COc1cccc(-c2noc([C@H](C)[NH2+][C@H]3CCCSC3)n2)c1 ZINC000191563656 165259240 /nfs/dbraw/zinc/25/92/40/165259240.db2.gz AWLXZKJQSHWSNZ-AAEUAGOBSA-N 1 0 319.430 3.291 10 0 DGAERO CCCn1cc(CN2CCO[C@H](c3ccc(CC)cc3)C2)cn1 ZINC000191667272 165265304 /nfs/dbraw/zinc/26/53/04/165265304.db2.gz HUWBOPJIIYYOQC-IBGZPJMESA-N 1 0 313.445 3.429 10 0 DGAERO CCCn1cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)cn1 ZINC000191715099 165266740 /nfs/dbraw/zinc/26/67/40/165266740.db2.gz KWZHYFZEHYCOPA-APWZRJJASA-N 1 0 315.461 3.013 10 0 DGAERO Cc1ccccc1C[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191768213 165268600 /nfs/dbraw/zinc/26/86/00/165268600.db2.gz FHUNITAHGXOHIC-SFHVURJKSA-N 1 0 312.388 3.025 10 0 DGAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]CC=C(C)C)C2)c1 ZINC000192324774 165288814 /nfs/dbraw/zinc/28/88/14/165288814.db2.gz TVBNTBUVRDFCHH-HNNXBMFYSA-N 1 0 304.434 3.086 10 0 DGAERO Cc1cc(=O)[nH]c([C@H](C)N2CC=C(c3cccs3)CC2)n1 ZINC000192595639 165298226 /nfs/dbraw/zinc/29/82/26/165298226.db2.gz XNQXDSUDELUDGM-LBPRGKRZSA-N 1 0 301.415 3.402 10 0 DGAERO O=S(=O)(CCN1CCC[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000192593954 165298876 /nfs/dbraw/zinc/29/88/76/165298876.db2.gz XCMGIVDXBRPCFQ-HNNXBMFYSA-N 1 0 323.389 3.030 10 0 DGAERO COc1cccc(C[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c1F ZINC000192662156 165300794 /nfs/dbraw/zinc/30/07/94/165300794.db2.gz ROUALMXTXOTXGV-CQSZACIVSA-N 1 0 314.360 3.050 10 0 DGAERO Cc1csc2c1ncnc2N(CC[NH+](C)C)Cc1ccco1 ZINC000192685514 165302097 /nfs/dbraw/zinc/30/20/97/165302097.db2.gz RVUMBUBEEBDOCB-UHFFFAOYSA-N 1 0 316.430 3.161 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1C ZINC000192711186 165303862 /nfs/dbraw/zinc/30/38/62/165303862.db2.gz AURXHMXWRQOHSC-MRXNPFEDSA-N 1 0 310.445 3.413 10 0 DGAERO CC(C)(C)[C@@H](CO)[NH2+]Cc1ncc(-c2ccccc2Cl)o1 ZINC000193097002 165316261 /nfs/dbraw/zinc/31/62/61/165316261.db2.gz ZKCXBTZITJIUKD-CQSZACIVSA-N 1 0 308.809 3.492 10 0 DGAERO CC(C)c1n[nH]cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000193666162 165329366 /nfs/dbraw/zinc/32/93/66/165329366.db2.gz QUPUYXVEGQRBJX-UHFFFAOYSA-N 1 0 318.465 3.060 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(SC)cc1 ZINC000194404134 165344771 /nfs/dbraw/zinc/34/47/71/165344771.db2.gz OJPJEQBUFFPYRI-MRXNPFEDSA-N 1 0 306.475 3.241 10 0 DGAERO C=Cn1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cn1 ZINC000194359196 165345038 /nfs/dbraw/zinc/34/50/38/165345038.db2.gz JNLZCMQQGHVDGA-AWEZNQCLSA-N 1 0 307.401 3.329 10 0 DGAERO Cc1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194517945 165348325 /nfs/dbraw/zinc/34/83/25/165348325.db2.gz ZXWAYCUQJYLAHQ-AWEZNQCLSA-N 1 0 309.413 3.380 10 0 DGAERO CC(C)CC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000194969071 165357945 /nfs/dbraw/zinc/35/79/45/165357945.db2.gz TUDNTBUFJNNCRJ-UHFFFAOYSA-N 1 0 300.446 3.334 10 0 DGAERO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195324307 165364781 /nfs/dbraw/zinc/36/47/81/165364781.db2.gz IHYBRNOWCQPBRY-QEJZJMRPSA-N 1 0 323.506 3.324 10 0 DGAERO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195353818 165367077 /nfs/dbraw/zinc/36/70/77/165367077.db2.gz AWWJCEVJYWVZDA-CQSZACIVSA-N 1 0 318.442 3.410 10 0 DGAERO CCCc1nc(CN2CCC[C@@H](c3nc(CC)cs3)C2)no1 ZINC000195384141 165369266 /nfs/dbraw/zinc/36/92/66/165369266.db2.gz CCJPWIQSYUFVTC-GFCCVEGCSA-N 1 0 320.462 3.421 10 0 DGAERO Clc1cccc(OCC[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000195513436 165372088 /nfs/dbraw/zinc/37/20/88/165372088.db2.gz HECQQHACLFSQMC-UHFFFAOYSA-N 1 0 305.809 3.322 10 0 DGAERO COc1cc(C[NH2+]CC2(C)CC2)cc(Br)c1O ZINC000224188102 165381909 /nfs/dbraw/zinc/38/19/09/165381909.db2.gz VXOVQJRRSIOFPH-UHFFFAOYSA-N 1 0 300.196 3.053 10 0 DGAERO OCC[C@@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000227571566 165387280 /nfs/dbraw/zinc/38/72/80/165387280.db2.gz PHXVKDBIBKMNTQ-LBPRGKRZSA-N 1 0 306.793 3.199 10 0 DGAERO OCC[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000227566332 165387557 /nfs/dbraw/zinc/38/75/57/165387557.db2.gz NVNGHIPQHVKKMX-NSHDSACASA-N 1 0 304.217 3.077 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000245435683 165455555 /nfs/dbraw/zinc/45/55/55/165455555.db2.gz TZHRCBMIQJEOLP-OLZOCXBDSA-N 1 0 323.403 3.139 10 0 DGAERO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000246957436 165554269 /nfs/dbraw/zinc/55/42/69/165554269.db2.gz IQVQAROQAWYRGB-QXAKKESOSA-N 1 0 311.429 3.307 10 0 DGAERO CCOc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1OCC ZINC000247016702 165557765 /nfs/dbraw/zinc/55/77/65/165557765.db2.gz FYMYOWMCWKQXAH-NVXWUHKLSA-N 1 0 318.461 3.153 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCSc2ccccc2F)C1 ZINC000247040908 165561731 /nfs/dbraw/zinc/56/17/31/165561731.db2.gz IAAWFGPXLNROKZ-UKRRQHHQSA-N 1 0 324.465 3.153 10 0 DGAERO Cc1sc2nc([C@H](C)[NH2+][C@@H](C)[C@H]3CCCO3)nc(N)c2c1C ZINC000248560947 165634033 /nfs/dbraw/zinc/63/40/33/165634033.db2.gz COFJQQFYUNAHKE-JBLDHEPKSA-N 1 0 320.462 3.108 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)[C@H]1COc2ccccc21 ZINC000248634161 165639369 /nfs/dbraw/zinc/63/93/69/165639369.db2.gz XGHHELNJSUEFPI-NORZTCDRSA-N 1 0 319.351 3.153 10 0 DGAERO COc1cccc2c1CC[N@H+](CCc1csc(C)n1)CC2 ZINC000365505789 287139443 /nfs/dbraw/zinc/13/94/43/287139443.db2.gz CVLNVRCAWFZRPM-UHFFFAOYSA-N 1 0 302.443 3.103 10 0 DGAERO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261632648 165725948 /nfs/dbraw/zinc/72/59/48/165725948.db2.gz CQQFQDZASVIHHD-LJQANCHMSA-N 1 0 316.445 3.066 10 0 DGAERO CCCc1nc(CN(CC[NH3+])CCc2ccccc2)cs1 ZINC000261671263 165730277 /nfs/dbraw/zinc/73/02/77/165730277.db2.gz BZRAPRDQZHULHL-UHFFFAOYSA-N 1 0 303.475 3.099 10 0 DGAERO C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261945059 165767714 /nfs/dbraw/zinc/76/77/14/165767714.db2.gz MEAQXHRLLZIKDX-SNPRPXQTSA-N 1 0 300.402 3.470 10 0 DGAERO C[C@H]1C[C@@H](C(=O)NC(C)(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000262397009 165801578 /nfs/dbraw/zinc/80/15/78/165801578.db2.gz QMOBOVCFABAYNL-IRXDYDNUSA-N 1 0 322.452 3.454 10 0 DGAERO O=C(Nc1ccc(OCC2CC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262485112 165805234 /nfs/dbraw/zinc/80/52/34/165805234.db2.gz TXFANPUJAUSMEM-WBAXXEDZSA-N 1 0 314.429 3.335 10 0 DGAERO CSCc1cc(F)ccc1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263218842 165845321 /nfs/dbraw/zinc/84/53/21/165845321.db2.gz LMVJRVMUUDWTRU-DOTOQJQBSA-N 1 0 324.465 3.213 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C12CCC2 ZINC000366040395 287203550 /nfs/dbraw/zinc/20/35/50/287203550.db2.gz OWHWMRIKNJCKRX-CVEARBPZSA-N 1 0 301.390 3.107 10 0 DGAERO Cc1sc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1Br ZINC000384048167 685169153 /nfs/dbraw/zinc/16/91/53/685169153.db2.gz WEKLSEGEMYEBQK-QWRGUYRKSA-N 1 0 318.280 3.460 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000181983048 432152290 /nfs/dbraw/zinc/15/22/90/432152290.db2.gz JRQUOBDHIOOLBL-HNNXBMFYSA-N 1 0 302.422 3.054 10 0 DGAERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000190461496 432159846 /nfs/dbraw/zinc/15/98/46/432159846.db2.gz LPMRNKZDSHSFOZ-CQSZACIVSA-N 1 0 321.515 3.467 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c2c(c1)OCCCO2 ZINC000136703240 432160363 /nfs/dbraw/zinc/16/03/63/432160363.db2.gz RBAJAZMOBFZJMN-MRXNPFEDSA-N 1 0 317.429 3.429 10 0 DGAERO C[C@H](c1nc2ccccc2n1C(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639107 432154002 /nfs/dbraw/zinc/15/40/02/432154002.db2.gz QBUBPGBIEATIBT-CHWSQXEVSA-N 1 0 320.387 3.272 10 0 DGAERO CCc1cc(NC(=O)NCCC2CC[NH+](C)CC2)ccc1C ZINC000182007145 432154017 /nfs/dbraw/zinc/15/40/17/432154017.db2.gz CYIQBHICCDRYOT-UHFFFAOYSA-N 1 0 303.450 3.411 10 0 DGAERO Cc1ccccc1C1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000171629015 432155029 /nfs/dbraw/zinc/15/50/29/432155029.db2.gz HTMMUKKMJVROCV-KRWDZBQOSA-N 1 0 305.462 3.350 10 0 DGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCSC ZINC000190448999 432157318 /nfs/dbraw/zinc/15/73/18/432157318.db2.gz BOVKGAVKKNUSCO-SECBINFHSA-N 1 0 304.253 3.471 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]CCSC ZINC000190448977 432157750 /nfs/dbraw/zinc/15/77/50/432157750.db2.gz BOVKGAVKKNUSCO-VIFPVBQESA-N 1 0 304.253 3.471 10 0 DGAERO C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246757149 432162416 /nfs/dbraw/zinc/16/24/16/432162416.db2.gz HNLRQTGFEMQEMS-VKJFTORMSA-N 1 0 320.452 3.336 10 0 DGAERO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190490736 432163521 /nfs/dbraw/zinc/16/35/21/432163521.db2.gz YVRUNSCTXRFJQX-FQEVSTJZSA-N 1 0 309.457 3.344 10 0 DGAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000190483334 432163627 /nfs/dbraw/zinc/16/36/27/432163627.db2.gz WNNHPEXYUSKHQM-SFHVURJKSA-N 1 0 313.420 3.175 10 0 DGAERO CCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246790783 432165313 /nfs/dbraw/zinc/16/53/13/432165313.db2.gz IXVVMGDXSRRLPO-DZGCQCFKSA-N 1 0 305.422 3.032 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000246782207 432165384 /nfs/dbraw/zinc/16/53/84/432165384.db2.gz BFEFFLJQCZDCCF-CABCVRRESA-N 1 0 307.438 3.213 10 0 DGAERO CCCCC[C@@H](C)CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246793376 432166552 /nfs/dbraw/zinc/16/65/52/432166552.db2.gz JMLNYWJZDWXPER-SJORKVTESA-N 1 0 324.509 3.305 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@]3(CC=CCC3)C2)C1 ZINC000246802975 432166836 /nfs/dbraw/zinc/16/68/36/432166836.db2.gz SXRNXKYQKMKNKQ-PKOBYXMFSA-N 1 0 319.493 3.250 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccco1 ZINC000246819580 432169118 /nfs/dbraw/zinc/16/91/18/432169118.db2.gz BCCUVJMQOIRXSA-QLFBSQMISA-N 1 0 315.417 3.139 10 0 DGAERO CC[C@H](C)[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246828530 432170430 /nfs/dbraw/zinc/17/04/30/432170430.db2.gz CHAPKKAFXPTJHI-SZMVWBNQSA-N 1 0 300.446 3.123 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C1CCCC1 ZINC000246836573 432170746 /nfs/dbraw/zinc/17/07/46/432170746.db2.gz BZDAUNMQBQJIKJ-OWCLPIDISA-N 1 0 317.477 3.364 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C(F)F)c1 ZINC000246875814 432176561 /nfs/dbraw/zinc/17/65/61/432176561.db2.gz FOMOSWKTOVADSD-CABCVRRESA-N 1 0 308.372 3.323 10 0 DGAERO CC[C@H]([NH2+]Cc1nc(-c2cccc(C)c2)no1)[C@H]1CCCO1 ZINC000182309292 432177102 /nfs/dbraw/zinc/17/71/02/432177102.db2.gz ZWPCWVZMSYQFJZ-LSDHHAIUSA-N 1 0 301.390 3.092 10 0 DGAERO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246885487 432178395 /nfs/dbraw/zinc/17/83/95/432178395.db2.gz GHFINCSVUWHNDG-UKRRQHHQSA-N 1 0 323.400 3.021 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)NC/C=C/c1ccccc1)c1ccccc1 ZINC000171854172 432179432 /nfs/dbraw/zinc/17/94/32/432179432.db2.gz SJHVWABRUJHJQN-VSRDTVRMSA-N 1 0 323.440 3.302 10 0 DGAERO CCC[C@H](C(=O)NCc1ccccc1OCC(C)C)[NH+](C)C ZINC000137856455 432180317 /nfs/dbraw/zinc/18/03/17/432180317.db2.gz LNKOQYUFRCCWFS-MRXNPFEDSA-N 1 0 306.450 3.068 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1OC ZINC000246918583 432181212 /nfs/dbraw/zinc/18/12/12/432181212.db2.gz FYVOJJMHVWEUIC-MOFZMDFASA-N 1 0 313.397 3.013 10 0 DGAERO CCC[C@H](C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)[NH+](C)C ZINC000190693861 432182045 /nfs/dbraw/zinc/18/20/45/432182045.db2.gz HAHXKQVQYUHKFE-NEPJUHHUSA-N 1 0 308.388 3.154 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246853376 432172353 /nfs/dbraw/zinc/17/23/53/432172353.db2.gz BOUCAWCDWTVHJQ-ZFWWWQNUSA-N 1 0 313.445 3.339 10 0 DGAERO CCOc1cc(Cl)ccc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000182272571 432173979 /nfs/dbraw/zinc/17/39/79/432173979.db2.gz MUWZLHCURMUOPE-AWEZNQCLSA-N 1 0 324.852 3.295 10 0 DGAERO C[C@@H](O)CC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190606706 432174591 /nfs/dbraw/zinc/17/45/91/432174591.db2.gz ZDKCPRAJYAWIFB-PELKAZGASA-N 1 0 304.253 3.322 10 0 DGAERO CC(C)COc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246871218 432176018 /nfs/dbraw/zinc/17/60/18/432176018.db2.gz SQSVGZCVJGRHMF-MSOLQXFVSA-N 1 0 321.486 3.428 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000139394556 432184851 /nfs/dbraw/zinc/18/48/51/432184851.db2.gz QLHJGWORENRRMO-JKSUJKDBSA-N 1 0 321.852 3.185 10 0 DGAERO Clc1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000171942083 432185519 /nfs/dbraw/zinc/18/55/19/432185519.db2.gz FXFPOLGRCJNYCS-QGZVFWFLSA-N 1 0 308.853 3.027 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(SC)cc1 ZINC000246991607 432188583 /nfs/dbraw/zinc/18/85/83/432188583.db2.gz PFRFNEAOVONAJZ-GJZGRUSLSA-N 1 0 304.459 3.107 10 0 DGAERO Cc1ccc(-c2nc(CC[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)co2)cc1 ZINC000246985784 432188672 /nfs/dbraw/zinc/18/86/72/432188672.db2.gz KHLPZSZBLOVKQU-RDJZCZTQSA-N 1 0 313.445 3.265 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000182443514 432191115 /nfs/dbraw/zinc/19/11/15/432191115.db2.gz KPTYYCGOVXAHKY-LJQANCHMSA-N 1 0 313.445 3.263 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1OC ZINC000247022753 432191441 /nfs/dbraw/zinc/19/14/41/432191441.db2.gz KWBSSVZLVZKRDA-HNKHHVNMSA-N 1 0 305.418 3.312 10 0 DGAERO Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246934205 432182676 /nfs/dbraw/zinc/18/26/76/432182676.db2.gz YZFVCOIXPLVQED-DYVFJYSZSA-N 1 0 316.836 3.331 10 0 DGAERO O=C(N[C@H](c1ccccc1)C1CCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907310 432182834 /nfs/dbraw/zinc/18/28/34/432182834.db2.gz OXYAPISTHSNIFU-QZTJIDSGSA-N 1 0 313.445 3.017 10 0 DGAERO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000247063602 432198584 /nfs/dbraw/zinc/19/85/84/432198584.db2.gz MQUWDFCAXJCDON-RYMBOPBQSA-N 1 0 311.425 3.435 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)cc1OC ZINC000247057317 432199022 /nfs/dbraw/zinc/19/90/22/432199022.db2.gz NPSDEAXQIMEQCT-HLLBOEOZSA-N 1 0 320.477 3.392 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000247077735 432200207 /nfs/dbraw/zinc/20/02/07/432200207.db2.gz HSPNLGGEWSTZKP-CJNGLKHVSA-N 1 0 320.864 3.313 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC000247086411 432199939 /nfs/dbraw/zinc/19/99/39/432199939.db2.gz JJAOVFQRJPHXAO-ZFVVBOAOSA-N 1 0 320.864 3.288 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000172056938 432193163 /nfs/dbraw/zinc/19/31/63/432193163.db2.gz PGRZYTSSBCOHHA-VXGBXAGGSA-N 1 0 324.877 3.371 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)cc2F)C1 ZINC000247032179 432194419 /nfs/dbraw/zinc/19/44/19/432194419.db2.gz ZVFMVHVMTZHVCT-XHDPSFHLSA-N 1 0 310.800 3.035 10 0 DGAERO CC(C)(C)C1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000172097990 432196275 /nfs/dbraw/zinc/19/62/75/432196275.db2.gz RMXCAMYTRFMKCE-HNNXBMFYSA-N 1 0 311.491 3.384 10 0 DGAERO CCOC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000247065287 432197484 /nfs/dbraw/zinc/19/74/84/432197484.db2.gz UNBDTAFZPYCSEF-BRWVUGGUSA-N 1 0 318.461 3.001 10 0 DGAERO CCCC[N@H+](C[C@H](O)Cn1cccn1)[C@@H](CC)c1ccccc1 ZINC000172175226 432201767 /nfs/dbraw/zinc/20/17/67/432201767.db2.gz UKTGKUHIVDNWKN-OALUTQOASA-N 1 0 315.461 3.497 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000129859453 196080379 /nfs/dbraw/zinc/08/03/79/196080379.db2.gz DOAOGIYYODKWSK-NSHDSACASA-N 1 0 306.793 3.124 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N1CCc2sccc2C1 ZINC000172171549 432202163 /nfs/dbraw/zinc/20/21/63/432202163.db2.gz FQFAHZLGCXKAKX-QWHCGFSZSA-N 1 0 306.475 3.190 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247082816 432200255 /nfs/dbraw/zinc/20/02/55/432200255.db2.gz XBZRIQQOIGUJTI-ZFWWWQNUSA-N 1 0 313.445 3.074 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1Cl ZINC000182536330 432200929 /nfs/dbraw/zinc/20/09/29/432200929.db2.gz OXCVCAXPLCSZBA-UHFFFAOYSA-N 1 0 323.824 3.101 10 0 DGAERO COC(=O)c1ccccc1OCC[NH2+][C@@H](C)c1cccs1 ZINC000182553941 432202820 /nfs/dbraw/zinc/20/28/20/432202820.db2.gz WUIDPOVNIHDMGA-LBPRGKRZSA-N 1 0 305.399 3.264 10 0 DGAERO CCSc1cccc(NC(=O)N[C@H]2CCC[N@H+](CC)C2)c1 ZINC000172213867 432203258 /nfs/dbraw/zinc/20/32/58/432203258.db2.gz IXFBLEJVLPDEOU-AWEZNQCLSA-N 1 0 307.463 3.404 10 0 DGAERO COC(=O)c1coc(C[NH2+]C2CCC(C(F)(F)F)CC2)c1 ZINC000130726407 196104457 /nfs/dbraw/zinc/10/44/57/196104457.db2.gz IMIOUQJABHAREU-UHFFFAOYSA-N 1 0 305.296 3.277 10 0 DGAERO O=C(Nc1cccc(Br)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000130992672 196130299 /nfs/dbraw/zinc/13/02/99/196130299.db2.gz JUFGBYBAPQOCTE-UHFFFAOYSA-N 1 0 317.186 3.305 10 0 DGAERO CCOc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000182576838 432206528 /nfs/dbraw/zinc/20/65/28/432206528.db2.gz PHHRTCIJILLOIE-CABCVRRESA-N 1 0 319.401 3.077 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)n1 ZINC000172290158 432207119 /nfs/dbraw/zinc/20/71/19/432207119.db2.gz FOODRRMFZMNRSI-SFHVURJKSA-N 1 0 324.472 3.296 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)CCCc1ccc(F)c(F)c1 ZINC000150978871 432208189 /nfs/dbraw/zinc/20/81/89/432208189.db2.gz KTRMBUZEZVNAAU-CYBMUJFWSA-N 1 0 312.404 3.134 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)C(=O)O2)o1 ZINC000182598850 432208750 /nfs/dbraw/zinc/20/87/50/432208750.db2.gz IBSUBAVLJKAGHI-UKRRQHHQSA-N 1 0 300.358 3.264 10 0 DGAERO C[C@@H]1CCC[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000247204008 432211827 /nfs/dbraw/zinc/21/18/27/432211827.db2.gz BZDJHRSQUQYZOU-KBAYOESNSA-N 1 0 302.462 3.102 10 0 DGAERO C[N@@H+](Cc1ncc(-c2ccccc2F)o1)C[C@H]1CCC[C@H]1O ZINC000247200751 432211881 /nfs/dbraw/zinc/21/18/81/432211881.db2.gz YPAGSJZTCPWTFD-IUODEOHRSA-N 1 0 304.365 3.074 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247221112 432212901 /nfs/dbraw/zinc/21/29/01/432212901.db2.gz RFIKCTPTIJQXOH-GDBMZVCRSA-N 1 0 314.433 3.247 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(C)CCCc3ccccc32)CC[N@@H+]1C ZINC000247244553 432214500 /nfs/dbraw/zinc/21/45/00/432214500.db2.gz DKFRWVYDAXGWDD-MDYRTPRTSA-N 1 0 314.473 3.222 10 0 DGAERO CCCCSCCC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000247241835 432214769 /nfs/dbraw/zinc/21/47/69/432214769.db2.gz DHMXNPQOBIVHLB-HUUCEWRRSA-N 1 0 300.512 3.099 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000191054385 432215277 /nfs/dbraw/zinc/21/52/77/432215277.db2.gz WJWIOYLDQRHJQJ-BEFAXECRSA-N 1 0 313.445 3.464 10 0 DGAERO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CCS1 ZINC000247236990 432215427 /nfs/dbraw/zinc/21/54/27/432215427.db2.gz DKARXQAKONAQKG-SQWLQELKSA-N 1 0 306.475 3.080 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000247249786 432215614 /nfs/dbraw/zinc/21/56/14/432215614.db2.gz YVCIBLSBHQFFDG-CABCVRRESA-N 1 0 321.490 3.032 10 0 DGAERO CCc1cnccc1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000182570080 432204553 /nfs/dbraw/zinc/20/45/53/432204553.db2.gz WIXAKVAAAVOHJY-MAUKXSAKSA-N 1 0 323.440 3.037 10 0 DGAERO CCc1ccc(CN2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000172248780 432204577 /nfs/dbraw/zinc/20/45/77/432204577.db2.gz PBLUGYLTCBSMQD-OAHLLOKOSA-N 1 0 315.442 3.309 10 0 DGAERO COC(=O)c1cccc(OCC[NH2+][C@@H](C)c2ccc(C)o2)c1 ZINC000182569470 432205099 /nfs/dbraw/zinc/20/50/99/432205099.db2.gz QTSUEVHVQLKVNX-ZDUSSCGKSA-N 1 0 303.358 3.104 10 0 DGAERO O[C@H](CC1CCCC1)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000190951214 432205243 /nfs/dbraw/zinc/20/52/43/432205243.db2.gz GQLMJKWMSJVKJU-UYAOXDASSA-N 1 0 315.457 3.102 10 0 DGAERO CC[C@@H]1CN(CCCc2ccc(Cl)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247134852 432205353 /nfs/dbraw/zinc/20/53/53/432205353.db2.gz XMHTZDKJMNLRDK-MAUKXSAKSA-N 1 0 324.896 3.050 10 0 DGAERO CCCC[C@@H](COC)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000150953371 432205458 /nfs/dbraw/zinc/20/54/58/432205458.db2.gz QNNWEWSFYNJWSN-CABCVRRESA-N 1 0 302.422 3.123 10 0 DGAERO CCc1ccc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)cc1 ZINC000172247581 432205465 /nfs/dbraw/zinc/20/54/65/432205465.db2.gz ZVIZUWOLQJGKSF-UHFFFAOYSA-N 1 0 310.445 3.060 10 0 DGAERO COC(=O)c1cccc(OCC[NH2+][C@H](C)c2ccc(C)o2)c1 ZINC000182569457 432205976 /nfs/dbraw/zinc/20/59/76/432205976.db2.gz QTSUEVHVQLKVNX-CYBMUJFWSA-N 1 0 303.358 3.104 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000191142791 432225211 /nfs/dbraw/zinc/22/52/11/432225211.db2.gz GCQBXNLTPQNVOT-RYUDHWBXSA-N 1 0 317.351 3.318 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000247429619 432228553 /nfs/dbraw/zinc/22/85/53/432228553.db2.gz OOGSHSBMYJQQLD-BBRMVZONSA-N 1 0 308.853 3.071 10 0 DGAERO CC[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1CC)c1nccs1 ZINC000247412710 432228604 /nfs/dbraw/zinc/22/86/04/432228604.db2.gz SXGZJRQZPZCVGM-ZIAGYGMSSA-N 1 0 324.494 3.158 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CCOc1ccc(Cl)c(F)c1 ZINC000191148591 432227230 /nfs/dbraw/zinc/22/72/30/432227230.db2.gz YAMHELLTADMFGU-QWRGUYRKSA-N 1 0 301.789 3.092 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(C)c2)[C@H](C)C1 ZINC000131426933 196168262 /nfs/dbraw/zinc/16/82/62/196168262.db2.gz BZWIVIHCTLRZEA-CJNGLKHVSA-N 1 0 308.853 3.451 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC000247395279 432228273 /nfs/dbraw/zinc/22/82/73/432228273.db2.gz QRSZBSXGNSGAOP-HNAYVOBHSA-N 1 0 310.441 3.227 10 0 DGAERO C[C@H]1C[C@H](C[NH3+])CN1CCOc1c(Cl)cccc1Cl ZINC000131466817 196171213 /nfs/dbraw/zinc/17/12/13/196171213.db2.gz HVPICAIXJYCLQV-WDEREUQCSA-N 1 0 303.233 3.041 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](CCn3ccnc3)C2)n1 ZINC000131468858 196171240 /nfs/dbraw/zinc/17/12/40/196171240.db2.gz HKMVQTXONLVLDR-AWEZNQCLSA-N 1 0 304.463 3.343 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)C1 ZINC000247282028 432218758 /nfs/dbraw/zinc/21/87/58/432218758.db2.gz KIYRWWMOTAFNAA-LMSBXDPUSA-N 1 0 315.461 3.118 10 0 DGAERO CC[C@H]([NH2+]CCCCOCc1ccccc1)c1nccn1C ZINC000182693797 432219092 /nfs/dbraw/zinc/21/90/92/432219092.db2.gz HGPHQYGYFRHCKS-KRWDZBQOSA-N 1 0 301.434 3.458 10 0 DGAERO Cc1ncsc1CC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000172535947 432220048 /nfs/dbraw/zinc/22/00/48/432220048.db2.gz HSTNKYSBRFNMNS-CQSZACIVSA-N 1 0 304.463 3.181 10 0 DGAERO c1nc(-c2ccccc2)sc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000172542385 432220141 /nfs/dbraw/zinc/22/01/41/432220141.db2.gz SUFGHUVBUFNZBB-UHFFFAOYSA-N 1 0 313.470 3.480 10 0 DGAERO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](n2cncn2)C1 ZINC000172582547 432221260 /nfs/dbraw/zinc/22/12/60/432221260.db2.gz DKYDYWRNCLCLNK-ZBFHGGJFSA-N 1 0 323.400 3.331 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000172613233 432223609 /nfs/dbraw/zinc/22/36/09/432223609.db2.gz QRLVZIRGZQAHQD-CQSZACIVSA-N 1 0 314.351 3.163 10 0 DGAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000191128110 432224063 /nfs/dbraw/zinc/22/40/63/432224063.db2.gz WGQDLXWZGMQDRB-SLBVQIDZSA-N 1 0 305.422 3.132 10 0 DGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000132323731 196245158 /nfs/dbraw/zinc/24/51/58/196245158.db2.gz DSULMPSDHNJJBG-KRWDZBQOSA-N 1 0 324.472 3.256 10 0 DGAERO C[C@@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000132852682 196291119 /nfs/dbraw/zinc/29/11/19/196291119.db2.gz YFVMPLVEPLUGCI-GFCCVEGCSA-N 1 0 309.841 3.137 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@H](C)Cc1ccccc1)CC2 ZINC000133870536 196341459 /nfs/dbraw/zinc/34/14/59/196341459.db2.gz OQPINTBEAWTVPR-WBVHZDCISA-N 1 0 312.461 3.185 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](O)COc1cc(C)ccc1C)c1nccs1 ZINC000134235423 196373060 /nfs/dbraw/zinc/37/30/60/196373060.db2.gz CCIVQDGQXSJKJB-LSDHHAIUSA-N 1 0 320.458 3.241 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)s1 ZINC000154538090 227100310 /nfs/dbraw/zinc/10/03/10/227100310.db2.gz ZJUGVBHHVDJJPI-UWVGGRQHSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)[C@@H]1C ZINC000248392040 287492099 /nfs/dbraw/zinc/49/20/99/287492099.db2.gz CTBSCYPJGFTHLZ-XYVMCAHJSA-N 1 0 302.462 3.100 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)cc1F ZINC000176274036 228310521 /nfs/dbraw/zinc/31/05/21/228310521.db2.gz BELDHNAFHFNMQW-HUUCEWRRSA-N 1 0 314.404 3.490 10 0 DGAERO O=C(NCCC1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178860965 228347333 /nfs/dbraw/zinc/34/73/33/228347333.db2.gz XFCBDTVZKFMRCY-WMZOPIPTSA-N 1 0 319.493 3.225 10 0 DGAERO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)C1CCCC1 ZINC000179544884 228352878 /nfs/dbraw/zinc/35/28/78/228352878.db2.gz PDUOKXGOXQBRBK-OAHLLOKOSA-N 1 0 309.498 3.329 10 0 DGAERO Cc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)c(F)c2)c1 ZINC000181363421 228361391 /nfs/dbraw/zinc/36/13/91/228361391.db2.gz CJKOUYMCDJISGX-OAHLLOKOSA-N 1 0 314.404 3.410 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccccc2)cc1F ZINC000181336417 228361714 /nfs/dbraw/zinc/36/17/14/228361714.db2.gz ZDEZRMDMPUUUSV-CQSZACIVSA-N 1 0 300.377 3.448 10 0 DGAERO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)C2CCCC2)cc1 ZINC000184661160 228385768 /nfs/dbraw/zinc/38/57/68/228385768.db2.gz QBQHBIQTYYEFCG-OAHLLOKOSA-N 1 0 309.475 3.327 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189242611 228480279 /nfs/dbraw/zinc/48/02/79/228480279.db2.gz JSPOSUBRNKURBQ-UHFFFAOYSA-N 1 0 308.429 3.226 10 0 DGAERO Fc1ccccc1C[C@H]([NH2+]CCCn1ccnn1)c1ccccc1 ZINC000191798119 228533163 /nfs/dbraw/zinc/53/31/63/228533163.db2.gz LNNLPDYIPUGAOB-IBGZPJMESA-N 1 0 324.403 3.381 10 0 DGAERO COC(=O)c1coc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000130725560 292639856 /nfs/dbraw/zinc/63/98/56/292639856.db2.gz KYQCZRVUQCOYCU-NWDGAFQWSA-N 1 0 305.296 3.277 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+][C@H](C)Cc1c(C)nn(C)c1C ZINC000186177966 263651450 /nfs/dbraw/zinc/65/14/50/263651450.db2.gz XIMLGHPODLJDDH-PWSUYJOCSA-N 1 0 307.463 3.389 10 0 DGAERO CCOC(C)(C)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000186892231 263665467 /nfs/dbraw/zinc/66/54/67/263665467.db2.gz NAQPURCRTFTWOI-AWEZNQCLSA-N 1 0 314.470 3.038 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1CCCCO1 ZINC000347486526 264228493 /nfs/dbraw/zinc/22/84/93/264228493.db2.gz PGBCNTQRWBMGGZ-GOSISDBHSA-N 1 0 304.478 3.446 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCCOCc1ccccc1 ZINC000347486389 264228562 /nfs/dbraw/zinc/22/85/62/264228562.db2.gz RIKZRMIAAWFUIK-HKUYNNGSSA-N 1 0 302.462 3.152 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCOCc1ccccc1 ZINC000347498441 264230742 /nfs/dbraw/zinc/23/07/42/264230742.db2.gz UYMPEYLAJWMEOI-OALUTQOASA-N 1 0 302.462 3.152 10 0 DGAERO c1ccc2c(c1)CC[C@]21C[N@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000347502438 264231399 /nfs/dbraw/zinc/23/13/99/264231399.db2.gz ZMESSSVCPFNALJ-HKUYNNGSSA-N 1 0 301.430 3.120 10 0 DGAERO c1ccc2c(c1)CC[C@]21C[N@H+](CC[C@H]2CCCCO2)CCO1 ZINC000347502443 264231544 /nfs/dbraw/zinc/23/15/44/264231544.db2.gz ZMESSSVCPFNALJ-MJGOQNOKSA-N 1 0 301.430 3.120 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)CN1CCn2ncnc2C1 ZINC000348185324 264359968 /nfs/dbraw/zinc/35/99/68/264359968.db2.gz JXWIKRICQKXXHY-KPKJPENVSA-N 1 0 322.334 3.216 10 0 DGAERO C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CC1(C)C ZINC000352604785 265100940 /nfs/dbraw/zinc/10/09/40/265100940.db2.gz CARIBBCHQNSLQV-CMPLNLGQSA-N 1 0 300.244 3.060 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCCN1C ZINC000352830552 265185768 /nfs/dbraw/zinc/18/57/68/265185768.db2.gz BCXGUNIMNMURSO-VOMSXAGXSA-N 1 0 310.388 3.375 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[NH2+]Cc1ccnn1C ZINC000352843702 265194910 /nfs/dbraw/zinc/19/49/10/265194910.db2.gz BWDCXTXQVYNRCB-FMIVXFBMSA-N 1 0 307.344 3.215 10 0 DGAERO c1n[nH]cc1CC[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000353610445 265485593 /nfs/dbraw/zinc/48/55/93/265485593.db2.gz MQJPQBYDAGZFNP-SFHVURJKSA-N 1 0 311.429 3.335 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cnc3cc(F)c(F)cc3n2)C1 ZINC000247445758 432230228 /nfs/dbraw/zinc/23/02/28/432230228.db2.gz SIGHDPOUFRMKQP-MEBBXXQBSA-N 1 0 306.360 3.049 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc3ccccc32)[C@@H](C)C1 ZINC000247426850 432229482 /nfs/dbraw/zinc/22/94/82/432229482.db2.gz OJSXNLBVFCMFEG-KSSFIOAISA-N 1 0 311.429 3.037 10 0 DGAERO Brc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000355127724 265975434 /nfs/dbraw/zinc/97/54/34/265975434.db2.gz BACSPSRCSVKRTJ-HIFRSBDPSA-N 1 0 310.235 3.450 10 0 DGAERO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000355207615 266000319 /nfs/dbraw/zinc/00/03/19/266000319.db2.gz FSIVZXCZLQJXAV-KBPBESRZSA-N 1 0 317.458 3.387 10 0 DGAERO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000355243244 266014148 /nfs/dbraw/zinc/01/41/48/266014148.db2.gz WLUSMKWDFOVIIP-ROUUACIJSA-N 1 0 311.429 3.121 10 0 DGAERO c1c(C[NH2+]CCC23CC4CC(CC(C4)C2)C3)nc2ncccn12 ZINC000356241595 266329376 /nfs/dbraw/zinc/32/93/76/266329376.db2.gz JHSYSEMHRGIVCD-UHFFFAOYSA-N 1 0 310.445 3.425 10 0 DGAERO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000356360660 266366425 /nfs/dbraw/zinc/36/64/25/266366425.db2.gz MCUVQRFTDRJMNL-BPUTZDHNSA-N 1 0 324.444 3.015 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191196222 432232687 /nfs/dbraw/zinc/23/26/87/432232687.db2.gz RLZVQESZIORCLD-CXAGYDPISA-N 1 0 317.433 3.165 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191196211 432232849 /nfs/dbraw/zinc/23/28/49/432232849.db2.gz RLZVQESZIORCLD-GUYCJALGSA-N 1 0 317.433 3.165 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000247484972 432234325 /nfs/dbraw/zinc/23/43/25/432234325.db2.gz TWFFBOQTQOCKPI-RYRKJORJSA-N 1 0 302.462 3.054 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2nnc(-c3ccccc3)s2)C1 ZINC000247502949 432235084 /nfs/dbraw/zinc/23/50/84/432235084.db2.gz XSFJDYWFJKMSEQ-GXTWGEPZSA-N 1 0 302.447 3.346 10 0 DGAERO C[C@@H]1CCc2c(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)csc2C1 ZINC000247513282 432237353 /nfs/dbraw/zinc/23/73/53/432237353.db2.gz WBBYUESRIRUOGX-MGPQQGTHSA-N 1 0 318.486 3.182 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000247513427 432237377 /nfs/dbraw/zinc/23/73/77/432237377.db2.gz WBULMXDICDNMTQ-PWSUYJOCSA-N 1 0 313.228 3.302 10 0 DGAERO C[C@@H](N[C@@H](CO)c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000182894349 432239526 /nfs/dbraw/zinc/23/95/26/432239526.db2.gz RYDRUGOPOWCWDV-CJNGLKHVSA-N 1 0 309.369 3.121 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@H](C)c2ccccc2F)C1 ZINC000247528170 432240455 /nfs/dbraw/zinc/24/04/55/432240455.db2.gz ZORNYDJYRSALTC-CPUCHLNUSA-N 1 0 321.440 3.257 10 0 DGAERO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000182918134 432241903 /nfs/dbraw/zinc/24/19/03/432241903.db2.gz BLSDNLMWUAMEDA-SFHVURJKSA-N 1 0 312.413 3.072 10 0 DGAERO O[C@H](COCc1ccccc1F)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247567501 432241948 /nfs/dbraw/zinc/24/19/48/432241948.db2.gz VZHHAVWEENWVJY-RDJZCZTQSA-N 1 0 319.376 3.133 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)cc1Cl ZINC000191270834 432242884 /nfs/dbraw/zinc/24/28/84/432242884.db2.gz ACYNIMZLVBLBNF-ZIAGYGMSSA-N 1 0 306.837 3.347 10 0 DGAERO C[C@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247577538 432243401 /nfs/dbraw/zinc/24/34/01/432243401.db2.gz IAGVFJPTSFRTNU-PBHICJAKSA-N 1 0 314.408 3.278 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCc3cccc(F)c3)[C@@H]2C1 ZINC000182933897 432243536 /nfs/dbraw/zinc/24/35/36/432243536.db2.gz BHEGDWPCNIPOIG-KURKYZTESA-N 1 0 307.409 3.027 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1Cl ZINC000247685127 432246333 /nfs/dbraw/zinc/24/63/33/432246333.db2.gz UWSMQAMVMQGGPV-CABCVRRESA-N 1 0 321.852 3.108 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191310793 432248986 /nfs/dbraw/zinc/24/89/86/432248986.db2.gz XZWWSAWOVHVBRG-STQMWFEESA-N 1 0 317.481 3.405 10 0 DGAERO c1c(C[NH2+]C2(Cc3ccccc3)CC2)[nH]nc1-c1cccnc1 ZINC000368408926 271156273 /nfs/dbraw/zinc/15/62/73/271156273.db2.gz ADCJMIWULPYYJS-UHFFFAOYSA-N 1 0 304.397 3.337 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc2c1OCO2 ZINC000368466565 271161466 /nfs/dbraw/zinc/16/14/66/271161466.db2.gz QVDBHVCVPWDSME-HRCADAONSA-N 1 0 303.402 3.100 10 0 DGAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368560285 271171738 /nfs/dbraw/zinc/17/17/38/271171738.db2.gz DBCWILDTEYKJAY-IIDMSEBBSA-N 1 0 300.446 3.202 10 0 DGAERO c1csc(-c2ncc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)s2)c1 ZINC000368687553 271193348 /nfs/dbraw/zinc/19/33/48/271193348.db2.gz LBASQNYOCYWROD-SNVBAGLBSA-N 1 0 316.455 3.242 10 0 DGAERO c1cc(-c2ccc(CN3CCC[C@H]([NH+]4CCCC4)CC3)o2)n[nH]1 ZINC000369489392 271282684 /nfs/dbraw/zinc/28/26/84/271282684.db2.gz FYMVHAQWJYWBFY-HNNXBMFYSA-N 1 0 314.433 3.120 10 0 DGAERO C/C(=C\c1ccccc1)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369698156 271311145 /nfs/dbraw/zinc/31/11/45/271311145.db2.gz UNTZXYTXBSUJDH-DTQAZKPQSA-N 1 0 309.413 3.423 10 0 DGAERO O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](CC2CC2)CC1 ZINC000370565415 271370213 /nfs/dbraw/zinc/37/02/13/271370213.db2.gz KAUAWTHJHPSOEN-INIZCTEOSA-N 1 0 304.821 3.498 10 0 DGAERO CCOc1ccc(-c2nc(CN3[C@H](C)COC[C@@H]3C)co2)cc1 ZINC000151504956 432252951 /nfs/dbraw/zinc/25/29/51/432252951.db2.gz LLEQZBLIQBTQJI-OKILXGFUSA-N 1 0 316.401 3.350 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1c1ccccc1 ZINC000247920951 432254017 /nfs/dbraw/zinc/25/40/17/432254017.db2.gz BSJRJIASFHJWRQ-WOJBJXKFSA-N 1 0 320.436 3.351 10 0 DGAERO CCOC[C@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000044691654 273702552 /nfs/dbraw/zinc/70/25/52/273702552.db2.gz MZOSRRLHHNUWFO-GXFFZTMASA-N 1 0 314.223 3.287 10 0 DGAERO COC1([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)CCOCC1 ZINC000453207192 274015798 /nfs/dbraw/zinc/01/57/98/274015798.db2.gz ZIAXDXOUFLOOJA-CGTJXYLNSA-N 1 0 319.445 3.080 10 0 DGAERO COc1ccc(-c2nc3cccnc3n2C2CC[NH2+]CC2)cc1 ZINC000049454781 274104332 /nfs/dbraw/zinc/10/43/32/274104332.db2.gz CQUBGWPKMFGFCL-UHFFFAOYSA-N 1 0 308.385 3.031 10 0 DGAERO COc1ccc(Cl)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246738815 274111613 /nfs/dbraw/zinc/11/16/13/274111613.db2.gz GPCZHXIZEGTOIM-UKRRQHHQSA-N 1 0 313.850 3.055 10 0 DGAERO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)c1nc(C)cs1)CO2 ZINC000453081626 274128431 /nfs/dbraw/zinc/12/84/31/274128431.db2.gz APDRVHCWTUKZTE-YPMHNXCESA-N 1 0 304.415 3.114 10 0 DGAERO CSCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447396160 274175641 /nfs/dbraw/zinc/17/56/41/274175641.db2.gz VGTSVPPPIOZQGA-AWEZNQCLSA-N 1 0 301.459 3.108 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000173299467 274386085 /nfs/dbraw/zinc/38/60/85/274386085.db2.gz IXQSMGJFDBPTED-UWWQBHOKSA-N 1 0 315.461 3.188 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc(F)c1F ZINC000183226472 274526100 /nfs/dbraw/zinc/52/61/00/274526100.db2.gz QDOITAGRNQGDNE-STQMWFEESA-N 1 0 318.371 3.074 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173098315 432258948 /nfs/dbraw/zinc/25/89/48/432258948.db2.gz PRQYEHOZVPFORK-AWEZNQCLSA-N 1 0 319.474 3.029 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000070577931 274752584 /nfs/dbraw/zinc/75/25/84/274752584.db2.gz QACWCUDDYCORJB-GHMZBOCLSA-N 1 0 300.324 3.470 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000089732087 274759632 /nfs/dbraw/zinc/75/96/32/274759632.db2.gz UAMOUXRPJATYPO-IRXDYDNUSA-N 1 0 310.445 3.413 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(OC)c1 ZINC000247988737 432259962 /nfs/dbraw/zinc/25/99/62/432259962.db2.gz IVCIFZPNPHPIJG-KGLIPLIRSA-N 1 0 322.836 3.047 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC3CC3)cc2)CCN1C ZINC000191398818 432260030 /nfs/dbraw/zinc/26/00/30/432260030.db2.gz LDZCOHBVUIFQKC-CRAIPNDOSA-N 1 0 302.462 3.390 10 0 DGAERO c1ccc2c(c1)oc1c2ncnc1N1CCC[N@@H+](C2CC2)CC1 ZINC000141205723 275071542 /nfs/dbraw/zinc/07/15/42/275071542.db2.gz WVVRORKRWIKABQ-UHFFFAOYSA-N 1 0 308.385 3.051 10 0 DGAERO c1nc(CC[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000450754374 275075514 /nfs/dbraw/zinc/07/55/14/275075514.db2.gz HMTDQKPKVJNZHD-KRWDZBQOSA-N 1 0 300.427 3.207 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191396911 432260336 /nfs/dbraw/zinc/26/03/36/432260336.db2.gz SRCULRANRLEXKU-SJLPKXTDSA-N 1 0 318.509 3.088 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)[C@@H]1CCCO1 ZINC000183104769 432260604 /nfs/dbraw/zinc/26/06/04/432260604.db2.gz YQOBHCUQUCQQKK-GLJUWKHASA-N 1 0 312.413 3.324 10 0 DGAERO CCC1(CC)[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@@H](C)[C@@H]1OC ZINC000191403760 432260869 /nfs/dbraw/zinc/26/08/69/432260869.db2.gz JFHVBSIOVLQHPO-WQVCFCJDSA-N 1 0 320.481 3.012 10 0 DGAERO CC(C)c1scnc1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333295892 275779846 /nfs/dbraw/zinc/77/98/46/275779846.db2.gz JUGAVIXNLUTWQC-CYBMUJFWSA-N 1 0 322.478 3.262 10 0 DGAERO CC1(C)CC[C@H]([NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000330259079 275831872 /nfs/dbraw/zinc/83/18/72/275831872.db2.gz NBACAASMELAAAM-ZFWWWQNUSA-N 1 0 311.433 3.208 10 0 DGAERO CC1(C)C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)C(C)(C)O1 ZINC000152571172 275867839 /nfs/dbraw/zinc/86/78/39/275867839.db2.gz VMXLVSKMXZCDTH-RDJZCZTQSA-N 1 0 302.462 3.449 10 0 DGAERO CC(C)CCSCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000056389810 275877554 /nfs/dbraw/zinc/87/75/54/275877554.db2.gz DMIASMJNHLKYOP-INIZCTEOSA-N 1 0 308.491 3.185 10 0 DGAERO CC1CCN(c2cc(N3CCOCC3)c3ccccc3[nH+]2)CC1 ZINC000253495263 275942108 /nfs/dbraw/zinc/94/21/08/275942108.db2.gz RQWWUTLMDDZDJM-UHFFFAOYSA-N 1 0 311.429 3.308 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H]1CCOc2c(Cl)cccc21)[NH+](C)C ZINC000161745642 276021685 /nfs/dbraw/zinc/02/16/85/276021685.db2.gz UNBHCBQGSBPAKC-KGLIPLIRSA-N 1 0 310.825 3.010 10 0 DGAERO CC(C)[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(F)c(F)c1 ZINC000182107215 276023096 /nfs/dbraw/zinc/02/30/96/276023096.db2.gz LJLDRHXFBMJJEM-LSDHHAIUSA-N 1 0 301.402 3.120 10 0 DGAERO CC(C)c1ccc(CCN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261785661 276051991 /nfs/dbraw/zinc/05/19/91/276051991.db2.gz UJRCCMJAKGYKTR-FQEVSTJZSA-N 1 0 309.457 3.394 10 0 DGAERO CCN(C)C(=O)C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000186817625 276067044 /nfs/dbraw/zinc/06/70/44/276067044.db2.gz XGFJEPDOWHUGLY-MRXNPFEDSA-N 1 0 316.445 3.281 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093506464 276071894 /nfs/dbraw/zinc/07/18/94/276071894.db2.gz PRZZUFJYEJIVCL-TZMCWYRMSA-N 1 0 311.857 3.198 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc2ccc(C)nc21 ZINC000114578362 276112435 /nfs/dbraw/zinc/11/24/35/276112435.db2.gz QJEKGBVNHVXRPB-AWEZNQCLSA-N 1 0 314.433 3.395 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1oc(-c2ccccc2)nc1C ZINC000155484763 276118151 /nfs/dbraw/zinc/11/81/51/276118151.db2.gz ZTHUULARBHWKNS-CYBMUJFWSA-N 1 0 315.417 3.110 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1nc2ccccc2s1 ZINC000176254615 276180957 /nfs/dbraw/zinc/18/09/57/276180957.db2.gz FJMOHJPERLVHLC-LBPRGKRZSA-N 1 0 318.446 3.244 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1cc(Cl)ccc1C ZINC000177705023 276182964 /nfs/dbraw/zinc/18/29/64/276182964.db2.gz QIPRQSOOMDJCCW-HNNXBMFYSA-N 1 0 323.868 3.003 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000177707175 276183263 /nfs/dbraw/zinc/18/32/63/276183263.db2.gz BUXCYQNBOXUGQY-INIZCTEOSA-N 1 0 314.429 3.018 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000177711583 276183493 /nfs/dbraw/zinc/18/34/93/276183493.db2.gz WHLAFNPDONZLIQ-IRXDYDNUSA-N 1 0 317.477 3.047 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2nnc3n2CCCC3)C1(CC)CC ZINC000245960664 276354622 /nfs/dbraw/zinc/35/46/22/276354622.db2.gz YBPYTJVVVXZUBU-QLFBSQMISA-N 1 0 320.481 3.249 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2c(C)nn(C)c2C)C12CCCC2 ZINC000245935786 276354677 /nfs/dbraw/zinc/35/46/77/276354677.db2.gz TYRYNROXWKKORT-JEBQAFNWSA-N 1 0 319.493 3.295 10 0 DGAERO CC[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000236971450 276559369 /nfs/dbraw/zinc/55/93/69/276559369.db2.gz ICNGBIWQJMWRFI-IJLUTSLNSA-N 1 0 307.463 3.114 10 0 DGAERO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2ccccc21 ZINC000159176782 276757969 /nfs/dbraw/zinc/75/79/69/276757969.db2.gz LDBYXJKUNKULKA-UXHICEINSA-N 1 0 322.452 3.353 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccccc2)[C@H]1c1ccccc1 ZINC000248120604 277136153 /nfs/dbraw/zinc/13/61/53/277136153.db2.gz UFYUFZRZOYOMNF-UYAOXDASSA-N 1 0 324.424 3.017 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@@H]2CCCCC(F)(F)C2)CCOCC1 ZINC000453227127 277190853 /nfs/dbraw/zinc/19/08/53/277190853.db2.gz COAHGQZDFLRYMD-UONOGXRCSA-N 1 0 305.409 3.376 10 0 DGAERO CN1C[C@H]([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CCC1=O ZINC000152499849 277204805 /nfs/dbraw/zinc/20/48/05/277204805.db2.gz QEFMJGDQGPJKPN-NOZJJQNGSA-N 1 0 313.228 3.191 10 0 DGAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000246829159 277272213 /nfs/dbraw/zinc/27/22/13/277272213.db2.gz BAHRJWGKQQQOOK-MJBXVCDLSA-N 1 0 306.454 3.064 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1CCO)CCCO2 ZINC000250145244 277446838 /nfs/dbraw/zinc/44/68/38/277446838.db2.gz ZRNYTRXSGDJZHU-RRQGHBQHSA-N 1 0 305.418 3.050 10 0 DGAERO COC1([C@H](C)[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000453148652 277474666 /nfs/dbraw/zinc/47/46/66/277474666.db2.gz QLTZZDWNIPLPFH-JQHSSLGASA-N 1 0 303.446 3.496 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCCCC2)cc1F ZINC000132009926 277932477 /nfs/dbraw/zinc/93/24/77/277932477.db2.gz CIQRFFPJYZOOQS-UONOGXRCSA-N 1 0 322.424 3.276 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@]2(CC=CCC2)C1)[N@H+](C)C1CC1 ZINC000114595815 278199653 /nfs/dbraw/zinc/19/96/53/278199653.db2.gz BRSQVLBMYKIYDV-CRAIPNDOSA-N 1 0 305.466 3.001 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000232927891 278222733 /nfs/dbraw/zinc/22/27/33/278222733.db2.gz MHOIMHBGMJLCGL-MCIGGMRASA-N 1 0 306.372 3.002 10 0 DGAERO CC1(C)CN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC[C@H]1[NH3+] ZINC000262554798 278297312 /nfs/dbraw/zinc/29/73/12/278297312.db2.gz TWLRLAREDZPODL-LZUXJJCOSA-N 1 0 304.478 3.179 10 0 DGAERO CC1(C)C[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491238730 278392572 /nfs/dbraw/zinc/39/25/72/278392572.db2.gz HVVXTVNDWWPYGN-SJORKVTESA-N 1 0 321.509 3.330 10 0 DGAERO C[C@@H](c1cccc(F)c1)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000091980388 278418342 /nfs/dbraw/zinc/41/83/42/278418342.db2.gz SHNKXFJLPCTIKZ-MAUKXSAKSA-N 1 0 306.425 3.073 10 0 DGAERO CC1CC[NH+](CCN2C[C@@H](c3ccccc3)OC[C@H]2C)CC1 ZINC000246869946 278542381 /nfs/dbraw/zinc/54/23/81/278542381.db2.gz UOJOEAYBQLCKSA-MJGOQNOKSA-N 1 0 302.462 3.180 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000278493860 278854764 /nfs/dbraw/zinc/85/47/64/278854764.db2.gz LDUWMHMHNSDCIN-HFBAOOFYSA-N 1 0 324.262 3.321 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262449596 279004438 /nfs/dbraw/zinc/00/44/38/279004438.db2.gz FFYHEJKNKYYLKI-WRNCNIFXSA-N 1 0 312.457 3.312 10 0 DGAERO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(C)C ZINC000449441422 279024743 /nfs/dbraw/zinc/02/47/43/279024743.db2.gz QZNZIJODYLIQHF-KURKYZTESA-N 1 0 302.462 3.415 10 0 DGAERO CC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H](C)C(C)C ZINC000120275237 279050234 /nfs/dbraw/zinc/05/02/34/279050234.db2.gz DRLQCULYFMIMQD-STQMWFEESA-N 1 0 308.388 3.154 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000156871693 279159589 /nfs/dbraw/zinc/15/95/89/279159589.db2.gz WMLGCHZCHKFSNS-OAHLLOKOSA-N 1 0 320.481 3.221 10 0 DGAERO Clc1cccc2[nH]c([C@H]3CCCN3C3CC[NH2+]CC3)nc21 ZINC000038042467 279294787 /nfs/dbraw/zinc/29/47/87/279294787.db2.gz QHYQRCPTXHBVDO-CQSZACIVSA-N 1 0 304.825 3.105 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)C/C=C\c1cccc(F)c1 ZINC000255910333 279301068 /nfs/dbraw/zinc/30/10/68/279301068.db2.gz AOEVNRUGEZVDCF-DDJMYBDESA-N 1 0 304.409 3.220 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1COCC1(C)C ZINC000312977105 279377011 /nfs/dbraw/zinc/37/70/11/279377011.db2.gz NDBCQUVHDAHHCR-BXUZGUMPSA-N 1 0 312.251 3.395 10 0 DGAERO CCCN(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000069104432 431163968 /nfs/dbraw/zinc/16/39/68/431163968.db2.gz PTORYKUCIUMGFK-QGZVFWFLSA-N 1 0 303.450 3.093 10 0 DGAERO CCn1c(C)nnc1C[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000109012996 431165139 /nfs/dbraw/zinc/16/51/39/431165139.db2.gz XGESPTDNFOKLAZ-AWEZNQCLSA-N 1 0 316.449 3.068 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCO[C@H](C)C2)o1 ZINC000109075240 431168384 /nfs/dbraw/zinc/16/83/84/431168384.db2.gz WHMGEFFXNYGODU-ZBFHGGJFSA-N 1 0 320.458 3.201 10 0 DGAERO Cn1cc([C@@H]2CCCN2Cc2ncc(-c3cccs3)o2)cn1 ZINC000109132382 431173295 /nfs/dbraw/zinc/17/32/95/431173295.db2.gz VGRUXTUTKGPEEH-ZDUSSCGKSA-N 1 0 314.414 3.474 10 0 DGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1C(C)C ZINC000110084580 431182105 /nfs/dbraw/zinc/18/21/05/431182105.db2.gz YCFMBBFGMVDBCJ-OAHLLOKOSA-N 1 0 319.449 3.042 10 0 DGAERO Cc1cnn(CCCCC[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000111204795 431195408 /nfs/dbraw/zinc/19/54/08/431195408.db2.gz XTNJZNGXRVKNNB-UHFFFAOYSA-N 1 0 307.482 3.499 10 0 DGAERO Fc1ccccc1[C@H]([NH2+][C@H]1CCc2ncnn2C1)C1CCCC1 ZINC000180167073 279472532 /nfs/dbraw/zinc/47/25/32/279472532.db2.gz FGWGOCYYXPNCBU-KBXCAEBGSA-N 1 0 314.408 3.253 10 0 DGAERO c1ccc(CN2CCC[C@H]([NH2+]CCOC3CCCC3)C2)cc1 ZINC000108942792 431160971 /nfs/dbraw/zinc/16/09/71/431160971.db2.gz QGFZITVWHQVZLY-SFHVURJKSA-N 1 0 302.462 3.200 10 0 DGAERO C[C@H](O)C1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000111286788 431209597 /nfs/dbraw/zinc/20/95/97/431209597.db2.gz KWBRHFWRHDGCOI-LBPRGKRZSA-N 1 0 317.351 3.177 10 0 DGAERO C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[NH2+]1 ZINC000002583494 431257989 /nfs/dbraw/zinc/25/79/89/431257989.db2.gz AVZLYHYAHLWNGR-CQSZACIVSA-N 1 0 322.408 3.229 10 0 DGAERO CCCn1nccc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111423273 431219103 /nfs/dbraw/zinc/21/91/03/431219103.db2.gz JQMCVNDNSYRFGM-UHFFFAOYSA-N 1 0 321.469 3.071 10 0 DGAERO CCCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111507379 431225382 /nfs/dbraw/zinc/22/53/82/431225382.db2.gz DQXUEBOJEBBMDR-AYHJJNSGSA-N 1 0 315.461 3.281 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000112552206 431281651 /nfs/dbraw/zinc/28/16/51/431281651.db2.gz AGJUUFFWBKZMCV-LBPRGKRZSA-N 1 0 313.323 3.441 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccccc1Cl ZINC000112549874 431282980 /nfs/dbraw/zinc/28/29/80/431282980.db2.gz GFFMELBDTZVZLU-UONOGXRCSA-N 1 0 316.836 3.450 10 0 DGAERO Cc1ccc(F)cc1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000071790636 431287975 /nfs/dbraw/zinc/28/79/75/431287975.db2.gz ZHTYDQQOUGNNIW-HIFRSBDPSA-N 1 0 308.397 3.186 10 0 DGAERO COc1cc(C[NH2+][C@H]2CCC[C@@H]2C)cc(Br)c1O ZINC000071205771 431275603 /nfs/dbraw/zinc/27/56/03/431275603.db2.gz JYNHLCNXQHOJTG-CABZTGNLSA-N 1 0 314.223 3.442 10 0 DGAERO CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000073458295 431370754 /nfs/dbraw/zinc/37/07/54/431370754.db2.gz UEXKMPMGIMBQCD-UONOGXRCSA-N 1 0 320.433 3.100 10 0 DGAERO C[C@H]1CCCN(Cc2ccc(F)cc2Br)[C@H]1C[NH3+] ZINC000252130588 279670175 /nfs/dbraw/zinc/67/01/75/279670175.db2.gz KSIZKAVIBBRCRX-HZMBPMFUSA-N 1 0 315.230 3.147 10 0 DGAERO CC(C)Sc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113231367 431335066 /nfs/dbraw/zinc/33/50/66/431335066.db2.gz ZRRSXQBPCZITGP-GDBMZVCRSA-N 1 0 318.486 3.496 10 0 DGAERO CCSCc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113231066 431336739 /nfs/dbraw/zinc/33/67/39/431336739.db2.gz HJIIFSMXITXKJZ-WMLDXEAASA-N 1 0 318.486 3.248 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000113268719 431339589 /nfs/dbraw/zinc/33/95/89/431339589.db2.gz YOLTVYNOUWSNOG-XJKSGUPXSA-N 1 0 315.392 3.149 10 0 DGAERO CC[C@H](CC1CCCCC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000072564084 431340206 /nfs/dbraw/zinc/34/02/06/431340206.db2.gz LWXCYJCKOBPPKC-GOSISDBHSA-N 1 0 324.509 3.212 10 0 DGAERO C[C@H]1CCC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000407967601 279693428 /nfs/dbraw/zinc/69/34/28/279693428.db2.gz QRRLZSPVOQNPLI-GXSJLCMTSA-N 1 0 303.431 3.164 10 0 DGAERO CCOc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OCC ZINC000113518308 431352717 /nfs/dbraw/zinc/35/27/17/431352717.db2.gz FYMYOWMCWKQXAH-DOTOQJQBSA-N 1 0 318.461 3.153 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(C)s1 ZINC000113592400 431354811 /nfs/dbraw/zinc/35/48/11/431354811.db2.gz DCCBFCCBGDWTTE-CORIIIEPSA-N 1 0 321.490 3.304 10 0 DGAERO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000072901245 431356407 /nfs/dbraw/zinc/35/64/07/431356407.db2.gz JLIFVXOCSWKXJP-NSHDSACASA-N 1 0 316.417 3.367 10 0 DGAERO CC[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000074365973 431414286 /nfs/dbraw/zinc/41/42/86/431414286.db2.gz HXPJUNSKBNDAKE-UONOGXRCSA-N 1 0 324.494 3.110 10 0 DGAERO C[C@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)[C@H](C[NH3+])C1 ZINC000261816246 279724874 /nfs/dbraw/zinc/72/48/74/279724874.db2.gz AFTDZGSYXWXYCW-LRDDRELGSA-N 1 0 303.381 3.040 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000073653817 431376744 /nfs/dbraw/zinc/37/67/44/431376744.db2.gz TXNWOXUQXUVLDS-BFYDXBDKSA-N 1 0 303.450 3.119 10 0 DGAERO Cc1ccccc1[C@H](C[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000008031149 431377062 /nfs/dbraw/zinc/37/70/62/431377062.db2.gz BEYXLEIKMJXWEV-HNNXBMFYSA-N 1 0 309.818 3.122 10 0 DGAERO CC(C)c1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1 ZINC000008038040 431377197 /nfs/dbraw/zinc/37/71/97/431377197.db2.gz DYLMZBSIKIIWHV-QGZVFWFLSA-N 1 0 303.427 3.284 10 0 DGAERO CCCC(C)(C)NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000074250098 431405090 /nfs/dbraw/zinc/40/50/90/431405090.db2.gz RFAGNTOSUZMXLM-UHFFFAOYSA-N 1 0 317.477 3.137 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCCC[NH+](C(C)C)C(C)C)o1 ZINC000074833700 431442065 /nfs/dbraw/zinc/44/20/65/431442065.db2.gz ZEQHRKNGRPQDDK-OAHLLOKOSA-N 1 0 309.454 3.457 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)c2ccc(F)c(F)c2)ccc1F ZINC000115417654 431452971 /nfs/dbraw/zinc/45/29/71/431452971.db2.gz LLAFZPPBZZBDQY-UHFFFAOYSA-N 1 0 322.330 3.096 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)CC2=CCCCC2)ccc1F ZINC000115417932 431453986 /nfs/dbraw/zinc/45/39/86/431453986.db2.gz GAJKGCZKUZLBJW-UHFFFAOYSA-N 1 0 304.409 3.394 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)NC2CCCCC2)ccc1F ZINC000115779305 431473261 /nfs/dbraw/zinc/47/32/61/431473261.db2.gz COYPJNXUTLDZLS-UHFFFAOYSA-N 1 0 307.413 3.019 10 0 DGAERO C[C@H]1CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000076117291 431527161 /nfs/dbraw/zinc/52/71/61/431527161.db2.gz NMJSOQSNZBVSBS-QWRGUYRKSA-N 1 0 304.217 3.217 10 0 DGAERO Cc1cc2ncn(C[C@H](O)C[N@@H+]3C[C@H](C)CC[C@@H]3C)c2cc1C ZINC000076150034 431531700 /nfs/dbraw/zinc/53/17/00/431531700.db2.gz JMWRFYFGEVNUHS-XOKHGSTOSA-N 1 0 315.461 3.134 10 0 DGAERO CC(C)[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000181985127 279911726 /nfs/dbraw/zinc/91/17/26/279911726.db2.gz SWILONKJIRNEDR-YVEFUNNKSA-N 1 0 310.388 3.262 10 0 DGAERO CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116251131 431496173 /nfs/dbraw/zinc/49/61/73/431496173.db2.gz ORIYLQJLFOXSJB-FUHWJXTLSA-N 1 0 317.477 3.379 10 0 DGAERO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075751958 431496981 /nfs/dbraw/zinc/49/69/81/431496981.db2.gz XHFKZZFWLRJQOM-MSOLQXFVSA-N 1 0 317.408 3.137 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](CCSc3ccccc3F)C2)cn1 ZINC000116316628 431503200 /nfs/dbraw/zinc/50/32/00/431503200.db2.gz ZNFHYFNISXZRET-CYBMUJFWSA-N 1 0 305.422 3.141 10 0 DGAERO NC(=[NH2+])c1ccc2[nH]c(-c3ccc4ccccc4c3O)nc2c1 ZINC000012354857 431503567 /nfs/dbraw/zinc/50/35/67/431503567.db2.gz JGJHMYSBPBDONZ-UHFFFAOYSA-N 1 0 302.337 3.373 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc(OC(F)F)c3)C2)cn1 ZINC000116313690 431503896 /nfs/dbraw/zinc/50/38/96/431503896.db2.gz ITLDEFPZDAHWRG-ZDUSSCGKSA-N 1 0 307.344 3.011 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000116319095 431504857 /nfs/dbraw/zinc/50/48/57/431504857.db2.gz LXYWJJFYMLHZNX-CYBMUJFWSA-N 1 0 309.335 3.428 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3cc(F)cc4cccnc43)C2)cn1 ZINC000116312132 431505022 /nfs/dbraw/zinc/50/50/22/431505022.db2.gz YJYNUFPQKOHYIT-AWEZNQCLSA-N 1 0 310.376 3.097 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](CCc3c(F)cccc3Cl)C2)cn1 ZINC000116317089 431505647 /nfs/dbraw/zinc/50/56/47/431505647.db2.gz ZFUGXZLUEVELCQ-GFCCVEGCSA-N 1 0 307.800 3.245 10 0 DGAERO CC(C)(CNC(=O)N1CCC[C@@H]1c1ccco1)[NH+]1CCCCC1 ZINC000116414669 431509569 /nfs/dbraw/zinc/50/95/69/431509569.db2.gz MLVHHLCWPXKLOQ-OAHLLOKOSA-N 1 0 319.449 3.391 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(Br)c3)C2)cn1 ZINC000116407709 431510543 /nfs/dbraw/zinc/51/05/43/431510543.db2.gz ZGBCRLDZPBTFFQ-CYBMUJFWSA-N 1 0 320.234 3.172 10 0 DGAERO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@H]1c1ccco1)C(C)(C)C ZINC000116439630 431513136 /nfs/dbraw/zinc/51/31/36/431513136.db2.gz FPBRNPJKXFDOOT-HOCLYGCPSA-N 1 0 321.465 3.493 10 0 DGAERO Cc1ccc(CN(C(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)C2CC2)o1 ZINC000076149455 431532564 /nfs/dbraw/zinc/53/25/64/431532564.db2.gz WMAJHFULIJGWSM-KBPBESRZSA-N 1 0 304.434 3.199 10 0 DGAERO COc1ccc(-c2cc3ncccc3c(NCCC[NH3+])n2)cc1 ZINC000013489146 431558239 /nfs/dbraw/zinc/55/82/39/431558239.db2.gz XDWDNVGQYUIZEW-UHFFFAOYSA-N 1 0 308.385 3.066 10 0 DGAERO CCCc1noc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)n1 ZINC000076390255 431545882 /nfs/dbraw/zinc/54/58/82/431545882.db2.gz RXQCHXSJZQVXPQ-ZFWWWQNUSA-N 1 0 315.417 3.409 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176311266 280097955 /nfs/dbraw/zinc/09/79/55/280097955.db2.gz WWEJKRZZAYBJDS-ZIAGYGMSSA-N 1 0 324.494 3.110 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000150747871 280239015 /nfs/dbraw/zinc/23/90/15/280239015.db2.gz PRZGQNYEPGICDW-MRXNPFEDSA-N 1 0 313.449 3.434 10 0 DGAERO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cccc3ccoc32)CCN1 ZINC000449017362 280270130 /nfs/dbraw/zinc/27/01/30/280270130.db2.gz PFMZUHSXUCHJKS-SFHVURJKSA-N 1 0 320.392 3.496 10 0 DGAERO CC(C)[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1Cl ZINC000119884707 280320721 /nfs/dbraw/zinc/32/07/21/280320721.db2.gz AIXVQXWZDPGUQY-HNNXBMFYSA-N 1 0 309.841 3.170 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000191050576 280376663 /nfs/dbraw/zinc/37/66/63/280376663.db2.gz OMHOJPURQSWYTF-WCQYABFASA-N 1 0 314.351 3.100 10 0 DGAERO Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@](C)(O)CCC(C)C ZINC000077455875 431595888 /nfs/dbraw/zinc/59/58/88/431595888.db2.gz VQBBDAJMUNJRTP-LJQANCHMSA-N 1 0 315.461 3.458 10 0 DGAERO CC(C)C[C@H](CNC(=O)C[C@H]1CCOc2ccccc21)[NH+](C)C ZINC000117802503 431580070 /nfs/dbraw/zinc/58/00/70/431580070.db2.gz BMBFRIJXQDQQIB-HZPDHXFCSA-N 1 0 318.461 3.035 10 0 DGAERO Cc1cc(NC(=O)CC[N@H+]2CC=C(c3cccs3)CC2)no1 ZINC000117894916 431582518 /nfs/dbraw/zinc/58/25/18/431582518.db2.gz GDGRENOQEBRMSX-UHFFFAOYSA-N 1 0 317.414 3.162 10 0 DGAERO C[N@H+](CCNC(=O)c1cc2cc(F)ccc2[nH]1)C1CCCCC1 ZINC000019586108 431618911 /nfs/dbraw/zinc/61/89/11/431618911.db2.gz INQAHOGIIQRJOW-UHFFFAOYSA-N 1 0 317.408 3.301 10 0 DGAERO CC(C)Oc1ccc(F)cc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000118816806 431620210 /nfs/dbraw/zinc/62/02/10/431620210.db2.gz JBCNDXSNYQJULP-ZDUSSCGKSA-N 1 0 323.412 3.028 10 0 DGAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)C(C)C)C2)c1 ZINC000119386228 431687387 /nfs/dbraw/zinc/68/73/87/431687387.db2.gz GYLHFVBYMMPYCB-LSDHHAIUSA-N 1 0 306.450 3.164 10 0 DGAERO CC(C)C[C@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1cccnc1 ZINC000027522659 431689621 /nfs/dbraw/zinc/68/96/21/431689621.db2.gz JXINMQRKXSOEBV-IBGZPJMESA-N 1 0 319.493 3.360 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)CC[C@@H]1c1ccccc1 ZINC000119542406 431705380 /nfs/dbraw/zinc/70/53/80/431705380.db2.gz LJCGEHRMAJKWAZ-NUJGCVRESA-N 1 0 323.502 3.183 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261750492 280619269 /nfs/dbraw/zinc/61/92/69/280619269.db2.gz DTCXTXLGVYAOBO-BZSNNMDCSA-N 1 0 314.473 3.499 10 0 DGAERO O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2ccc(F)cc2)C1 ZINC000121275950 431764605 /nfs/dbraw/zinc/76/46/05/431764605.db2.gz XYRWGYVAFYNKMW-WMLDXEAASA-N 1 0 307.315 3.412 10 0 DGAERO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333854466 280688774 /nfs/dbraw/zinc/68/87/74/280688774.db2.gz XYIVESFDBKHFCJ-UKRRQHHQSA-N 1 0 319.449 3.043 10 0 DGAERO O=C(NC1CCCCCC1)[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128816 431807496 /nfs/dbraw/zinc/80/74/96/431807496.db2.gz INDCZIMZJFCKGG-HNNXBMFYSA-N 1 0 301.434 3.137 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccncc1C ZINC000122033492 431810989 /nfs/dbraw/zinc/81/09/89/431810989.db2.gz PLPOLLPUWNFKLW-HNNXBMFYSA-N 1 0 313.405 3.109 10 0 DGAERO CC(C)Cc1ncc(C[NH+]2CCC(Cn3cccn3)CC2)s1 ZINC000122128620 431814601 /nfs/dbraw/zinc/81/46/01/431814601.db2.gz KMDLJVLDIFYDDS-UHFFFAOYSA-N 1 0 318.490 3.450 10 0 DGAERO Cc1ccc(C[C@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)C)cc1 ZINC000121371895 431776984 /nfs/dbraw/zinc/77/69/84/431776984.db2.gz SYVGXOUHKVJMPS-INIZCTEOSA-N 1 0 311.491 3.071 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1O ZINC000122763866 431843652 /nfs/dbraw/zinc/84/36/52/431843652.db2.gz QKBQXKGYRPKTIW-HNNXBMFYSA-N 1 0 315.417 3.088 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000122753101 431843936 /nfs/dbraw/zinc/84/39/36/431843936.db2.gz POSLFQXIQCYRMG-OAHLLOKOSA-N 1 0 313.401 3.103 10 0 DGAERO CC(C)N(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000086372224 431845172 /nfs/dbraw/zinc/84/51/72/431845172.db2.gz YEIWVSDPTDZCMP-QGZVFWFLSA-N 1 0 303.450 3.091 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3)s2)CCOC1 ZINC000122975382 431850670 /nfs/dbraw/zinc/85/06/70/431850670.db2.gz CAXIVKGAYSBTTP-QGZVFWFLSA-N 1 0 303.427 3.310 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CCC([NH3+])CC1 ZINC000037816119 431850913 /nfs/dbraw/zinc/85/09/13/431850913.db2.gz NQXKWOVJCDPYGM-UHFFFAOYSA-N 1 0 315.244 3.469 10 0 DGAERO O=C(c1cc(Cl)ccc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917238 431851537 /nfs/dbraw/zinc/85/15/37/431851537.db2.gz ZRKRBRWFWXOODJ-IAQYHMDHSA-N 1 0 310.800 3.083 10 0 DGAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000038012545 431853294 /nfs/dbraw/zinc/85/32/94/431853294.db2.gz JWADFZFWTRVTGS-MNOVXSKESA-N 1 0 313.239 3.014 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc3cccnc32)CCN1C ZINC000123746680 431873484 /nfs/dbraw/zinc/87/34/84/431873484.db2.gz FLDITTOCCMGTBO-SUMWQHHRSA-N 1 0 301.409 3.288 10 0 DGAERO C[C@@H]([NH2+]CCc1ccccc1F)c1ccc(-n2ccnn2)cc1 ZINC000123294423 431860462 /nfs/dbraw/zinc/86/04/62/431860462.db2.gz FKCYYJBDHUJZPI-CQSZACIVSA-N 1 0 310.376 3.300 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000089162427 431861412 /nfs/dbraw/zinc/86/14/12/431861412.db2.gz AMIHVVUXPAXDBW-SWLSCSKDSA-N 1 0 306.406 3.200 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccc(F)cc2)CC[N@@H+]1C ZINC000123473971 431865471 /nfs/dbraw/zinc/86/54/71/431865471.db2.gz JHHXGIMJAKLZFN-XJKSGUPXSA-N 1 0 306.425 3.044 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427262 431865848 /nfs/dbraw/zinc/86/58/48/431865848.db2.gz DTZOSDSFEDEBGP-HZPDHXFCSA-N 1 0 302.418 3.037 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089446702 431866206 /nfs/dbraw/zinc/86/62/06/431866206.db2.gz JXEDROQDBZFKTK-ZDUSSCGKSA-N 1 0 305.422 3.049 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)cc1C ZINC000123551005 431868237 /nfs/dbraw/zinc/86/82/37/431868237.db2.gz CGGUTLHZQWZHJI-UHFFFAOYSA-N 1 0 318.461 3.002 10 0 DGAERO CC[C@H]([NH2+]CCc1nc(C)no1)c1ccc(OC(F)F)cc1 ZINC000089518329 431868902 /nfs/dbraw/zinc/86/89/02/431868902.db2.gz QOBAPWHVFCNYNA-ZDUSSCGKSA-N 1 0 311.332 3.263 10 0 DGAERO CCC(CC)[C@@H](CNC(=O)Nc1nccs1)[NH+]1CCCC1 ZINC000043644298 431869784 /nfs/dbraw/zinc/86/97/84/431869784.db2.gz REIVLRQAAQUJMX-CYBMUJFWSA-N 1 0 310.467 3.165 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2csc3ccccc23)CC[N@@H+]1C ZINC000123618826 431870097 /nfs/dbraw/zinc/87/00/97/431870097.db2.gz MYGNJOYTTLISQY-STQMWFEESA-N 1 0 302.443 3.456 10 0 DGAERO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCC1CCCC1 ZINC000084431405 431822819 /nfs/dbraw/zinc/82/28/19/431822819.db2.gz ZVDOQYNUUOSIMS-UHFFFAOYSA-N 1 0 323.506 3.402 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000084775375 431833237 /nfs/dbraw/zinc/83/32/37/431833237.db2.gz FRYBZABYTCZVKE-RYECEPHISA-N 1 0 300.446 3.387 10 0 DGAERO Cc1ccc(/C=C/CC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000084743502 431833380 /nfs/dbraw/zinc/83/33/80/431833380.db2.gz KEOIEBGJAGSOEW-ZVVFDCPKSA-N 1 0 300.446 3.246 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000092708492 431910595 /nfs/dbraw/zinc/91/05/95/431910595.db2.gz AWHHSPUPRZBXST-ZNNBYXKUSA-N 1 0 304.409 3.220 10 0 DGAERO Cc1cc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c2ccccc2n1 ZINC000125034430 431912268 /nfs/dbraw/zinc/91/22/68/431912268.db2.gz LDJLLLCRTLEJAA-OAHLLOKOSA-N 1 0 306.413 3.266 10 0 DGAERO CC(C)[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000047685296 431914513 /nfs/dbraw/zinc/91/45/13/431914513.db2.gz GYRVYZHQDYDPKF-OAHLLOKOSA-N 1 0 303.450 3.126 10 0 DGAERO C/C(=C/c1ccccc1)C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000093271951 431914499 /nfs/dbraw/zinc/91/44/99/431914499.db2.gz BNPYYSJUDQUOEI-ICFOKQHNSA-N 1 0 322.456 3.401 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)NC1CCCC1 ZINC000047943437 431917413 /nfs/dbraw/zinc/91/74/13/431917413.db2.gz XRNURUQVJGQIHB-NXEZZACHSA-N 1 0 300.855 3.499 10 0 DGAERO OCc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000095078396 431920934 /nfs/dbraw/zinc/92/09/34/431920934.db2.gz PRJAJGVBRODZMR-QGZVFWFLSA-N 1 0 321.424 3.193 10 0 DGAERO C[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088794 431921113 /nfs/dbraw/zinc/92/11/13/431921113.db2.gz ZEQIZGLYRCWMAZ-GJZGRUSLSA-N 1 0 319.449 3.474 10 0 DGAERO C[C@H](c1ccccn1)[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095088752 431921423 /nfs/dbraw/zinc/92/14/23/431921423.db2.gz LCYMQQMRCPFCAX-KGLIPLIRSA-N 1 0 305.422 3.084 10 0 DGAERO C[C@@H](c1ccccn1)[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095088751 431921621 /nfs/dbraw/zinc/92/16/21/431921621.db2.gz LCYMQQMRCPFCAX-KBPBESRZSA-N 1 0 305.422 3.084 10 0 DGAERO O=C(OCc1ccccc1)N1CCC2(C1)CC[NH+](C1CC1)CC2 ZINC000095077812 431921708 /nfs/dbraw/zinc/92/17/08/431921708.db2.gz PHRBCJRRXSGGCN-UHFFFAOYSA-N 1 0 314.429 3.274 10 0 DGAERO C[N@H+](CCCNC(=O)c1scnc1C1CC1)C1CCCCC1 ZINC000089695761 431874741 /nfs/dbraw/zinc/87/47/41/431874741.db2.gz APTWTPLWRZTLCK-UHFFFAOYSA-N 1 0 321.490 3.405 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)C2(c3cccc(F)c3)CCC2)CC[N@@H+]1C ZINC000123832279 431875990 /nfs/dbraw/zinc/87/59/90/431875990.db2.gz BUTPBZZHSJTKFQ-YOEHRIQHSA-N 1 0 318.436 3.189 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000089733030 431876136 /nfs/dbraw/zinc/87/61/36/431876136.db2.gz MIGCBGJEDNNJDK-ZIAGYGMSSA-N 1 0 316.474 3.420 10 0 DGAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(C)s1 ZINC000089732149 431876298 /nfs/dbraw/zinc/87/62/98/431876298.db2.gz NJCAETCJLKIUON-DZGCQCFKSA-N 1 0 316.474 3.475 10 0 DGAERO CC(C)COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123899383 431877612 /nfs/dbraw/zinc/87/76/12/431877612.db2.gz QGZCNZKDLIXQLH-DOTOQJQBSA-N 1 0 318.461 3.276 10 0 DGAERO O=C(c1scnc1C1CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000089813054 431880154 /nfs/dbraw/zinc/88/01/54/431880154.db2.gz ZIBQIOFOJADLJZ-CQSZACIVSA-N 1 0 319.474 3.111 10 0 DGAERO CN(Cc1ccccc1)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000045186454 431882764 /nfs/dbraw/zinc/88/27/64/431882764.db2.gz JOSTZNVALXPWKF-GOSISDBHSA-N 1 0 311.429 3.131 10 0 DGAERO COc1ccccc1[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124309566 431890108 /nfs/dbraw/zinc/89/01/08/431890108.db2.gz MWSIMPCXMWUUOP-OAGGEKHMSA-N 1 0 318.461 3.130 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000090186935 431890521 /nfs/dbraw/zinc/89/05/21/431890521.db2.gz VYHQDYSVUQSBPQ-YGRLFVJLSA-N 1 0 316.214 3.229 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000046279508 431896372 /nfs/dbraw/zinc/89/63/72/431896372.db2.gz SWZFIACUMFWCRI-HZPDHXFCSA-N 1 0 305.466 3.428 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)C1CCCCC1 ZINC000090938766 431899047 /nfs/dbraw/zinc/89/90/47/431899047.db2.gz HIEFAEVQSGASMQ-HUUCEWRRSA-N 1 0 313.445 3.343 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000046745632 431900650 /nfs/dbraw/zinc/90/06/50/431900650.db2.gz YCUGBOMLQTVNLW-LJQANCHMSA-N 1 0 310.441 3.428 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3ccccc3c2O)CC[N@@H+]1C ZINC000124747940 431903209 /nfs/dbraw/zinc/90/32/09/431903209.db2.gz RAWDXUJWJCSLOY-ZFWWWQNUSA-N 1 0 312.413 3.100 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091318852 431903868 /nfs/dbraw/zinc/90/38/68/431903868.db2.gz UDTKFAJOUZBEBV-RBUKOAKNSA-N 1 0 302.462 3.147 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000124774194 431903949 /nfs/dbraw/zinc/90/39/49/431903949.db2.gz AAXQOOLLEJNARD-DNVCBOLYSA-N 1 0 310.441 3.323 10 0 DGAERO FC(F)COc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000091978831 431906312 /nfs/dbraw/zinc/90/63/12/431906312.db2.gz JTUKHWWENHALAC-JKSUJKDBSA-N 1 0 311.372 3.474 10 0 DGAERO CC(C)CC1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000127496426 431973177 /nfs/dbraw/zinc/97/31/77/431973177.db2.gz VYNBXJQNEGPASS-UHFFFAOYSA-N 1 0 307.482 3.083 10 0 DGAERO CNC(=O)c1ccc(C[N@H+]2CC=C(c3ccccc3F)CC2)cc1 ZINC000127496086 431973281 /nfs/dbraw/zinc/97/32/81/431973281.db2.gz VWTBLNNHVAWOOQ-UHFFFAOYSA-N 1 0 324.399 3.475 10 0 DGAERO [NH3+]CCNc1c(C(=O)C(F)(F)F)cnc2cc(Cl)ccc21 ZINC000097757690 431974189 /nfs/dbraw/zinc/97/41/89/431974189.db2.gz GXPMEHOLYQTHIW-UHFFFAOYSA-N 1 0 317.698 3.004 10 0 DGAERO CCCn1cc(C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)cn1 ZINC000127573168 431976176 /nfs/dbraw/zinc/97/61/76/431976176.db2.gz LTWANMXKQHSHSJ-OAHLLOKOSA-N 1 0 304.463 3.438 10 0 DGAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127653527 431977449 /nfs/dbraw/zinc/97/74/49/431977449.db2.gz CWTZLULXFNPGSB-CQSZACIVSA-N 1 0 323.506 3.314 10 0 DGAERO CC[C@@H](C)[N@H+](Cc1ccncc1)CC(C)(C)CN1CCOCC1 ZINC000055211696 431978241 /nfs/dbraw/zinc/97/82/41/431978241.db2.gz ZHQPHXIKECHBBW-QGZVFWFLSA-N 1 0 319.493 3.041 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000248497118 280933289 /nfs/dbraw/zinc/93/32/89/280933289.db2.gz LQMJRFCNSCHVCF-QSPRXWTASA-N 1 0 307.459 3.078 10 0 DGAERO CCOC(C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1)OCC ZINC000125508793 431928024 /nfs/dbraw/zinc/92/80/24/431928024.db2.gz CGLWNUBFRIJWEM-AWEZNQCLSA-N 1 0 317.433 3.230 10 0 DGAERO O=C(c1ccccc1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073823 431935798 /nfs/dbraw/zinc/93/57/98/431935798.db2.gz NJXKBCAIYLDRQT-UHFFFAOYSA-N 1 0 306.837 3.288 10 0 DGAERO CCCn1cc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)cn1 ZINC000126172650 431943330 /nfs/dbraw/zinc/94/33/30/431943330.db2.gz SXJDSBZKALMZIF-IBGZPJMESA-N 1 0 313.445 3.165 10 0 DGAERO Cc1ccc(F)c(NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000049974043 431945244 /nfs/dbraw/zinc/94/52/44/431945244.db2.gz CPUIAJPBZQOKLK-UHFFFAOYSA-N 1 0 316.376 3.327 10 0 DGAERO O=C(C[NH2+]Cc1cccc(Cl)c1)N1CCc2sccc2C1 ZINC000050499247 431948076 /nfs/dbraw/zinc/94/80/76/431948076.db2.gz DNMHVHNSXQOLQT-UHFFFAOYSA-N 1 0 320.845 3.076 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(I)cc1 ZINC000052274085 431955596 /nfs/dbraw/zinc/95/55/96/431955596.db2.gz QWIPRRGARJJWLY-PTRXPTGYSA-N 1 0 301.171 3.350 10 0 DGAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000126941912 431961022 /nfs/dbraw/zinc/96/10/22/431961022.db2.gz MOAHFWXKCJAPLU-IUCAKERBSA-N 1 0 306.631 3.209 10 0 DGAERO CC1(C)CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000127133884 431965549 /nfs/dbraw/zinc/96/55/49/431965549.db2.gz YGYDUOSKYMZGFD-ZDUSSCGKSA-N 1 0 320.399 3.299 10 0 DGAERO CC1(C)CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000127134126 431965648 /nfs/dbraw/zinc/96/56/48/431965648.db2.gz YGYDUOSKYMZGFD-CYBMUJFWSA-N 1 0 320.399 3.299 10 0 DGAERO C[C@@H](c1nccs1)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100248393 431981790 /nfs/dbraw/zinc/98/17/90/431981790.db2.gz RJUGZSFBMFTXPI-RYUDHWBXSA-N 1 0 311.451 3.051 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(c3ncccn3)C1)CC2 ZINC000178194353 281097657 /nfs/dbraw/zinc/09/76/57/281097657.db2.gz BJVZNQMUWTYFMB-WMZOPIPTSA-N 1 0 308.429 3.031 10 0 DGAERO Cc1nc(Cl)ccc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000127938048 431984868 /nfs/dbraw/zinc/98/48/68/431984868.db2.gz HFUIOSVHZITHQS-AWEZNQCLSA-N 1 0 321.852 3.134 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)[C@@H](C)C2 ZINC000187534164 281121580 /nfs/dbraw/zinc/12/15/80/281121580.db2.gz ZQVZUWHLJKEJLQ-SUNYJGFJSA-N 1 0 321.486 3.031 10 0 DGAERO CC[C@@H](C)Oc1ccc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000056752838 431988967 /nfs/dbraw/zinc/98/89/67/431988967.db2.gz RZWNQRGYKASCBT-GDBMZVCRSA-N 1 0 319.449 3.470 10 0 DGAERO CC[NH+](CC)CCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000056941538 431989666 /nfs/dbraw/zinc/98/96/66/431989666.db2.gz KWOXIDLJSHEPTB-NSHDSACASA-N 1 0 315.820 3.181 10 0 DGAERO CCCCS[C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000057441498 431991956 /nfs/dbraw/zinc/99/19/56/431991956.db2.gz VJYAONKRWVWYSF-GOEBONIOSA-N 1 0 308.491 3.327 10 0 DGAERO c1cnn(CCCCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128318692 431992206 /nfs/dbraw/zinc/99/22/06/431992206.db2.gz ICIPTBVHEHXEFE-DLBZAZTESA-N 1 0 301.438 3.023 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000183223554 432270049 /nfs/dbraw/zinc/27/00/49/432270049.db2.gz LMOBOYDLKTZEIZ-NOZJJQNGSA-N 1 0 317.216 3.089 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(C(F)F)c3)CC[C@H]21 ZINC000248134587 432270283 /nfs/dbraw/zinc/27/02/83/432270283.db2.gz OXCWMWMTJNIKKV-HUUCEWRRSA-N 1 0 308.372 3.181 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1 ZINC000173332998 432271339 /nfs/dbraw/zinc/27/13/39/432271339.db2.gz PCRZVYJEZUQYDG-LSDHHAIUSA-N 1 0 307.825 3.431 10 0 DGAERO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nc2cc(F)ccc2o1 ZINC000151732399 432272309 /nfs/dbraw/zinc/27/23/09/432272309.db2.gz IYZHLIBTAFTNRF-AWEZNQCLSA-N 1 0 305.397 3.273 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)cc1OC ZINC000173320092 432272836 /nfs/dbraw/zinc/27/28/36/432272836.db2.gz UIYGYFCCTQIIEL-CYBMUJFWSA-N 1 0 315.417 3.016 10 0 DGAERO CC[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000173345728 432273654 /nfs/dbraw/zinc/27/36/54/432273654.db2.gz CFBQPKNWXKLXHM-IRXDYDNUSA-N 1 0 310.869 3.228 10 0 DGAERO CSc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248186809 432273668 /nfs/dbraw/zinc/27/36/68/432273668.db2.gz XNJIXGGURCVEQY-CZUORRHYSA-N 1 0 319.474 3.357 10 0 DGAERO CCc1nccn1[C@@H]1CCCN(C(=O)NCc2cccs2)C1 ZINC000151809197 432278188 /nfs/dbraw/zinc/27/81/88/432278188.db2.gz NDWLYESJZTUVFC-CYBMUJFWSA-N 1 0 318.446 3.054 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000173442544 432278524 /nfs/dbraw/zinc/27/85/24/432278524.db2.gz WTKGWEPULBFLRV-CYBMUJFWSA-N 1 0 321.490 3.133 10 0 DGAERO Cc1cc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc(C)c1O ZINC000191576129 432278703 /nfs/dbraw/zinc/27/87/03/432278703.db2.gz WMYRHARWVPEONG-JQHSSLGASA-N 1 0 301.430 3.099 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2C)ccc1F ZINC000191574507 432279312 /nfs/dbraw/zinc/27/93/12/432279312.db2.gz HUKNGLMMPDKWBI-PBHICJAKSA-N 1 0 317.404 3.397 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H]3CCc4ccc(F)cc43)C2)no1 ZINC000248368723 432281196 /nfs/dbraw/zinc/28/11/96/432281196.db2.gz VMWCKJRJMNQQRN-GUYCJALGSA-N 1 0 315.392 3.459 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000248384805 432282792 /nfs/dbraw/zinc/28/27/92/432282792.db2.gz GBGHSWPCXUCCGH-FZMZJTMJSA-N 1 0 305.315 3.146 10 0 DGAERO CC(C)Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cn1 ZINC000248384853 432283019 /nfs/dbraw/zinc/28/30/19/432283019.db2.gz GEXRZZBZNMWZFU-IAGOWNOFSA-N 1 0 317.433 3.220 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1F ZINC000151884097 432284738 /nfs/dbraw/zinc/28/47/38/432284738.db2.gz VRYKEBGDEYMMJJ-BDJLRTHQSA-N 1 0 305.372 3.469 10 0 DGAERO CC(C)[C@H](C)CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248398658 432285010 /nfs/dbraw/zinc/28/50/10/432285010.db2.gz JCHAGQMCXILXRM-OAGGEKHMSA-N 1 0 309.498 3.231 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(C(C)(C)C)s1 ZINC000248413702 432288345 /nfs/dbraw/zinc/28/83/45/432288345.db2.gz LNGQGSRLFMNGLL-KBPBESRZSA-N 1 0 307.507 3.499 10 0 DGAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1OC ZINC000183407667 432291796 /nfs/dbraw/zinc/29/17/96/432291796.db2.gz YUQJCRDYADFULT-SFHVURJKSA-N 1 0 324.424 3.073 10 0 DGAERO Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c(C)n1 ZINC000151999263 432295530 /nfs/dbraw/zinc/29/55/30/432295530.db2.gz AYADCBBKMQKCPM-SFHVURJKSA-N 1 0 311.429 3.252 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@@H+](CCCS(=O)(=O)C(C)C)C2)c1 ZINC000183477855 432295558 /nfs/dbraw/zinc/29/55/58/432295558.db2.gz FYDPXNAEJWGWOL-KRWDZBQOSA-N 1 0 323.502 3.306 10 0 DGAERO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248504405 432296108 /nfs/dbraw/zinc/29/61/08/432296108.db2.gz VLWFTFPIFDEVII-VXNCWWDNSA-N 1 0 300.446 3.230 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)c1ncoc1-c1ccccc1Cl ZINC000173730581 432296986 /nfs/dbraw/zinc/29/69/86/432296986.db2.gz ZAWOUBQYENWIFI-UHFFFAOYSA-N 1 0 321.808 3.065 10 0 DGAERO COCc1noc([C@H](C)[N@@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)n1 ZINC000183493317 432297071 /nfs/dbraw/zinc/29/70/71/432297071.db2.gz OLSKHLQAMMMNMM-LSDHHAIUSA-N 1 0 315.417 3.383 10 0 DGAERO CN(Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000248542417 432298544 /nfs/dbraw/zinc/29/85/44/432298544.db2.gz CMSZYPKFNXXYPA-ROUUACIJSA-N 1 0 304.503 3.382 10 0 DGAERO O=C(CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1)c1ccc(F)cc1F ZINC000248546826 432300482 /nfs/dbraw/zinc/30/04/82/432300482.db2.gz FVEUSJDZNIHBFQ-YVEFUNNKSA-N 1 0 309.356 3.039 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000057793321 431993846 /nfs/dbraw/zinc/99/38/46/431993846.db2.gz FRZRWXFMAXNOAO-SWLSCSKDSA-N 1 0 309.841 3.185 10 0 DGAERO CCOC(=O)CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000102399060 431993913 /nfs/dbraw/zinc/99/39/13/431993913.db2.gz GHQYVLDRKPLKBY-MRXNPFEDSA-N 1 0 305.418 3.045 10 0 DGAERO CCCn1c2ccccc2nc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128417379 431994070 /nfs/dbraw/zinc/99/40/70/431994070.db2.gz YEDOASOYKOLHGS-OAHLLOKOSA-N 1 0 323.444 3.169 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cn3cc(Cl)ccc3n1)CC2 ZINC000128430163 431994263 /nfs/dbraw/zinc/99/42/63/431994263.db2.gz XSRHNWNYLCHTIC-CXAGYDPISA-N 1 0 319.836 3.115 10 0 DGAERO CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000057870083 431994337 /nfs/dbraw/zinc/99/43/37/431994337.db2.gz QMXRLCVTWNIQIS-QGZVFWFLSA-N 1 0 303.450 3.093 10 0 DGAERO CCC(CC)[N@H+](CCOC)Cc1nnc(-c2ccccc2)n1C ZINC000102928653 432000616 /nfs/dbraw/zinc/00/06/16/432000616.db2.gz SJHZEKBRXWLETD-UHFFFAOYSA-N 1 0 316.449 3.119 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4ccccc4s3)CC[C@H]21 ZINC000248005346 432262158 /nfs/dbraw/zinc/26/21/58/432262158.db2.gz KTQBZIWFWXUASK-HUUCEWRRSA-N 1 0 314.454 3.458 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191411437 432262253 /nfs/dbraw/zinc/26/22/53/432262253.db2.gz HEAWOWAADQSSMH-ZDUSSCGKSA-N 1 0 317.481 3.406 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@H]1c1ccccc1 ZINC000248039547 432264340 /nfs/dbraw/zinc/26/43/40/432264340.db2.gz LTZJGMIAFVDPGD-JKSUJKDBSA-N 1 0 322.399 3.374 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1c1ccccc1 ZINC000248059502 432265128 /nfs/dbraw/zinc/26/51/28/432265128.db2.gz OVOZNQCHLRYNOO-PKOBYXMFSA-N 1 0 319.408 3.343 10 0 DGAERO CCc1oc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1C ZINC000248074675 432266858 /nfs/dbraw/zinc/26/68/58/432266858.db2.gz QWWAQPGCMLRAMV-YJBOKZPZSA-N 1 0 312.413 3.326 10 0 DGAERO Cc1ccc2cc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)ccc2n1 ZINC000151698548 432268324 /nfs/dbraw/zinc/26/83/24/432268324.db2.gz UKVYNDUAPALJCL-SCLBCKFNSA-N 1 0 311.429 3.002 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(OC)c1 ZINC000248768599 432318556 /nfs/dbraw/zinc/31/85/56/432318556.db2.gz XJSGYYUEJYIFBC-XFHKCVFHSA-N 1 0 317.429 3.312 10 0 DGAERO c1ccc([C@@H]([NH2+]C2CCC3(CC2)OCCO3)c2cccnc2)cc1 ZINC000183707750 432318936 /nfs/dbraw/zinc/31/89/36/432318936.db2.gz GNXNBAUVMCDGCH-LJQANCHMSA-N 1 0 324.424 3.446 10 0 DGAERO COc1cc(C[N@H+](C)[C@@H](C)c2cccnc2)cc2c1OCCO2 ZINC000183725751 432320497 /nfs/dbraw/zinc/32/04/97/432320497.db2.gz VTLOUJWOLXDMKX-ZDUSSCGKSA-N 1 0 314.385 3.054 10 0 DGAERO O=C1O[C@@H](C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC12CCC2 ZINC000248840516 432321517 /nfs/dbraw/zinc/32/15/17/432321517.db2.gz LJIJXQIHAAGFGH-DLBZAZTESA-N 1 0 314.429 3.049 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000191991793 432322285 /nfs/dbraw/zinc/32/22/85/432322285.db2.gz LPXMTOSJOXCHLF-IBGZPJMESA-N 1 0 321.428 3.251 10 0 DGAERO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccncc1 ZINC000174118975 432322402 /nfs/dbraw/zinc/32/24/02/432322402.db2.gz TXJMTRXXLPJHJD-MRXNPFEDSA-N 1 0 323.440 3.285 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)CCCc2ccc(C)cc2)C1 ZINC000174135727 432323271 /nfs/dbraw/zinc/32/32/71/432323271.db2.gz VHFBZEPEJURIEM-GOSISDBHSA-N 1 0 302.462 3.260 10 0 DGAERO C[C@](O)(C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cccc(Cl)c1 ZINC000248855956 432324085 /nfs/dbraw/zinc/32/40/85/432324085.db2.gz PHQLYFMRMVQYLL-LHHMISFZSA-N 1 0 323.864 3.341 10 0 DGAERO c1cc([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)n[nH]1 ZINC000248867706 432326268 /nfs/dbraw/zinc/32/62/68/432326268.db2.gz UEJXFNZDGMCOOO-JKSUJKDBSA-N 1 0 303.450 3.471 10 0 DGAERO CSCc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)ccc1F ZINC000174189717 432327270 /nfs/dbraw/zinc/32/72/70/432327270.db2.gz JFVIDMRBIMNRHF-UHFFFAOYSA-N 1 0 324.465 3.103 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248910613 432329596 /nfs/dbraw/zinc/32/95/96/432329596.db2.gz QTPHWEQASFPIQY-ZIAGYGMSSA-N 1 0 321.465 3.032 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000192071294 432330282 /nfs/dbraw/zinc/33/02/82/432330282.db2.gz IBJQDHHDIATKRE-CZUORRHYSA-N 1 0 305.418 3.157 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H]2CC[C@@H](C)O2)c1 ZINC000248973394 432331338 /nfs/dbraw/zinc/33/13/38/432331338.db2.gz SWBYXAVHQILUMT-UNEWFSDZSA-N 1 0 305.418 3.408 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3C2)C12CCOCC2 ZINC000248981922 432332945 /nfs/dbraw/zinc/33/29/45/432332945.db2.gz JBDPNWOFKCMQEK-GBESFXJTSA-N 1 0 315.457 3.108 10 0 DGAERO O[C@H](C[C@H]1CCC[N@H+]1C[C@@H](O)C1CCCCC1)c1ccco1 ZINC000249039422 432333844 /nfs/dbraw/zinc/33/38/44/432333844.db2.gz GLTMPHPGQXUESE-BRWVUGGUSA-N 1 0 307.434 3.109 10 0 DGAERO C[C@H](CCC1CC1)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000249057601 432336717 /nfs/dbraw/zinc/33/67/17/432336717.db2.gz XXDRLPQULXQGNC-FCEWJHQRSA-N 1 0 301.478 3.460 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)Cc2cccs2)C12CCOCC2 ZINC000249062419 432336834 /nfs/dbraw/zinc/33/68/34/432336834.db2.gz YSQXPFKMQSRUDE-DJIMGWMZSA-N 1 0 323.502 3.491 10 0 DGAERO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)CC1CCCC1 ZINC000249103274 432337618 /nfs/dbraw/zinc/33/76/18/432337618.db2.gz PXDDXNBALKVYDV-APWZRJJASA-N 1 0 305.462 3.201 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000249272840 432343407 /nfs/dbraw/zinc/34/34/07/432343407.db2.gz BUOHHZQRUMVYPP-PVAVHDDUSA-N 1 0 320.502 3.368 10 0 DGAERO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000249428072 432347015 /nfs/dbraw/zinc/34/70/15/432347015.db2.gz GGZXTWJKCIAQJJ-HZPDHXFCSA-N 1 0 306.406 3.461 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3cocn3)cc2)C1 ZINC000192287137 432354160 /nfs/dbraw/zinc/35/41/60/432354160.db2.gz AHXGSSSZGYJOGU-HOTGVXAUSA-N 1 0 313.445 3.442 10 0 DGAERO CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173912911 432306112 /nfs/dbraw/zinc/30/61/12/432306112.db2.gz YQNCDKHGOWKJFJ-MSOLQXFVSA-N 1 0 317.477 3.133 10 0 DGAERO COC[C@@H]1CCC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000183585524 432306663 /nfs/dbraw/zinc/30/66/63/432306663.db2.gz FIYTZJJPHCWATH-SNVBAGLBSA-N 1 0 308.369 3.329 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000183602514 432308674 /nfs/dbraw/zinc/30/86/74/432308674.db2.gz MLEPLVDIVRPDRR-KOLCDFICSA-N 1 0 321.412 3.385 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000248649803 432310054 /nfs/dbraw/zinc/31/00/54/432310054.db2.gz LHOGHLUVEWTWBA-GUYCJALGSA-N 1 0 314.433 3.362 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](CC2CCC2)c2ccccc2)C1 ZINC000183621584 432310596 /nfs/dbraw/zinc/31/05/96/432310596.db2.gz KTGKFNJRWATAFN-QZTJIDSGSA-N 1 0 315.461 3.263 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3c(C)csc32)[C@@H](C)C1 ZINC000248666490 432311752 /nfs/dbraw/zinc/31/17/52/432311752.db2.gz OBHSSHQLKFLSDR-WCQYABFASA-N 1 0 304.463 3.166 10 0 DGAERO Cc1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)n1C1CC1 ZINC000191886426 432311954 /nfs/dbraw/zinc/31/19/54/432311954.db2.gz QXYXJBSQFMSLMO-WMZOPIPTSA-N 1 0 310.445 3.422 10 0 DGAERO COC(=O)[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccccc1F ZINC000173990058 432312084 /nfs/dbraw/zinc/31/20/84/432312084.db2.gz XWWRLXTYLAPHLP-QGZVFWFLSA-N 1 0 314.360 3.097 10 0 DGAERO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccnn1C ZINC000152197809 432313355 /nfs/dbraw/zinc/31/33/55/432313355.db2.gz IBBRNCJFLSMHKO-LLVKDONJSA-N 1 0 313.430 3.098 10 0 DGAERO CCn1cc([C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)cn1 ZINC000248719584 432313572 /nfs/dbraw/zinc/31/35/72/432313572.db2.gz LIKJLHDIPPEFKG-OALUTQOASA-N 1 0 311.429 3.354 10 0 DGAERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000174012247 432314041 /nfs/dbraw/zinc/31/40/41/432314041.db2.gz XVZDISUXQPEAPW-RYUDHWBXSA-N 1 0 312.360 3.347 10 0 DGAERO C[C@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251890487 432372395 /nfs/dbraw/zinc/37/23/95/432372395.db2.gz VNEMLWUDVSCVQO-GXFFZTMASA-N 1 0 303.233 3.041 10 0 DGAERO CC[NH+]1CCN(c2cccc(NC(=O)Cc3ccccc3)c2)CC1 ZINC000184260943 432373109 /nfs/dbraw/zinc/37/31/09/432373109.db2.gz CRARLSOOZLPBAG-UHFFFAOYSA-N 1 0 323.440 3.010 10 0 DGAERO COC(=O)C1CCC([NH2+][C@H](C)c2c(F)cccc2OC)CC1 ZINC000192443652 432374917 /nfs/dbraw/zinc/37/49/17/432374917.db2.gz BURACYLYNJTFLA-PNESKVBLSA-N 1 0 309.381 3.217 10 0 DGAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cncc(C)c3)CC2)nc1 ZINC000184366053 432382438 /nfs/dbraw/zinc/38/24/38/432382438.db2.gz FVEXXFLGSCXVAF-INIZCTEOSA-N 1 0 310.445 3.413 10 0 DGAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3cncc(C)c3)CC2)nc1 ZINC000184366070 432384212 /nfs/dbraw/zinc/38/42/12/432384212.db2.gz FVEXXFLGSCXVAF-MRXNPFEDSA-N 1 0 310.445 3.413 10 0 DGAERO CSCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000192544463 432385353 /nfs/dbraw/zinc/38/53/53/432385353.db2.gz XWJCBZHLSWYLIZ-HNNXBMFYSA-N 1 0 320.502 3.288 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cncc(C)c2)C1 ZINC000184387675 432386501 /nfs/dbraw/zinc/38/65/01/432386501.db2.gz WTOGKPNPGBCSBE-NVXWUHKLSA-N 1 0 311.429 3.328 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1Br ZINC000252672781 432386743 /nfs/dbraw/zinc/38/67/43/432386743.db2.gz CPCDKPPAWXYPLE-OCCSQVGLSA-N 1 0 309.251 3.118 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000175011370 432388007 /nfs/dbraw/zinc/38/80/07/432388007.db2.gz QXPASAKSLPUYBD-HUUCEWRRSA-N 1 0 303.450 3.078 10 0 DGAERO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C2CCC2)CC1 ZINC000175011016 432389390 /nfs/dbraw/zinc/38/93/90/432389390.db2.gz LZKAKGIYOJMAFR-HNNXBMFYSA-N 1 0 315.461 3.406 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000192589169 432390469 /nfs/dbraw/zinc/39/04/69/432390469.db2.gz PSUVXWYRJJGEGG-QMTHXVAHSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000153191284 432391216 /nfs/dbraw/zinc/39/12/16/432391216.db2.gz NCAFJBZPNOUGRO-YGRLFVJLSA-N 1 0 313.804 3.426 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2ccccc2)o1 ZINC000175035423 432391272 /nfs/dbraw/zinc/39/12/72/432391272.db2.gz KGPQDFNDRJNXLO-IAGOWNOFSA-N 1 0 311.429 3.400 10 0 DGAERO CC[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000192729496 432407393 /nfs/dbraw/zinc/40/73/93/432407393.db2.gz RJLOGYXEWDUNFH-GUYCJALGSA-N 1 0 318.442 3.136 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2cccs2)o1 ZINC000175055167 432392478 /nfs/dbraw/zinc/39/24/78/432392478.db2.gz XBURMJFSFYDBML-ZIAGYGMSSA-N 1 0 317.458 3.462 10 0 DGAERO CCc1csc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C2)n1 ZINC000175147572 432403300 /nfs/dbraw/zinc/40/33/00/432403300.db2.gz FODDDYBYMUBPQX-KBPBESRZSA-N 1 0 323.506 3.140 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000175157650 432404874 /nfs/dbraw/zinc/40/48/74/432404874.db2.gz XEQHIDSDZNMNJF-PWSUYJOCSA-N 1 0 313.804 3.426 10 0 DGAERO C[C@H]1CCN(C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1cccc(F)c1 ZINC000175174269 432407700 /nfs/dbraw/zinc/40/77/00/432407700.db2.gz OPCGGOJIZQVDEG-GUYCJALGSA-N 1 0 319.424 3.012 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000174614234 432360558 /nfs/dbraw/zinc/36/05/58/432360558.db2.gz QIXVXKIVUXFBMI-MCIONIFRSA-N 1 0 309.479 3.181 10 0 DGAERO Cc1cc(C[N@@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)ccc1F ZINC000249838654 432361021 /nfs/dbraw/zinc/36/10/21/432361021.db2.gz FSQCSIKRDQHKEW-HZPDHXFCSA-N 1 0 305.418 3.404 10 0 DGAERO CC(C)c1csc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000174639696 432361242 /nfs/dbraw/zinc/36/12/42/432361242.db2.gz PRXLYZMJHDJTGE-YHWZYXNKSA-N 1 0 322.478 3.403 10 0 DGAERO CC(C)(C)c1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)n(C(C)(C)C)n1 ZINC000152849462 432361520 /nfs/dbraw/zinc/36/15/20/432361520.db2.gz SMOHZPAGBRHWLB-RYUDHWBXSA-N 1 0 306.454 3.002 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC[C@H]3C)C2)n1 ZINC000249895837 432362378 /nfs/dbraw/zinc/36/23/78/432362378.db2.gz RSPGFILZHSUSQX-HUUCEWRRSA-N 1 0 321.490 3.032 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)N1CCC(C)CC1 ZINC000192358469 432364870 /nfs/dbraw/zinc/36/48/70/432364870.db2.gz YXFMEQZPQQDMOQ-PBHICJAKSA-N 1 0 316.445 3.006 10 0 DGAERO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192361633 432365807 /nfs/dbraw/zinc/36/58/07/432365807.db2.gz RCRGUPQKFNBZNI-XOKHGSTOSA-N 1 0 316.445 3.054 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCO[C@H]1C)c1ccsc1 ZINC000250540644 432367258 /nfs/dbraw/zinc/36/72/58/432367258.db2.gz NFEKJBZQJWWZSI-CWRNSKLLSA-N 1 0 324.490 3.062 10 0 DGAERO CC(C)c1cnc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000192391690 432368657 /nfs/dbraw/zinc/36/86/57/432368657.db2.gz JHZXJHROQZMEHR-ZDUSSCGKSA-N 1 0 322.478 3.359 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)c2ccoc2Cl)ccc1F ZINC000192391874 432368793 /nfs/dbraw/zinc/36/87/93/432368793.db2.gz UUWZDMRNEXUELM-UHFFFAOYSA-N 1 0 310.756 3.064 10 0 DGAERO Cc1ccccc1NC(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000152935858 432369151 /nfs/dbraw/zinc/36/91/51/432369151.db2.gz BEIHHJXPTSGEHQ-KRWDZBQOSA-N 1 0 316.445 3.357 10 0 DGAERO CCC[C@@H](C(=O)N[C@H](C)c1cccc(N2CCCC2)c1)[NH+](C)C ZINC000153661997 432429482 /nfs/dbraw/zinc/42/94/82/432429482.db2.gz KVRUUZQKSJPOLN-QAPCUYQASA-N 1 0 317.477 3.194 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccccc2Oc2ccccc2)C1 ZINC000153673824 432431516 /nfs/dbraw/zinc/43/15/16/432431516.db2.gz STFQHIRROBNZLU-GDBMZVCRSA-N 1 0 310.397 3.223 10 0 DGAERO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000175414430 432433711 /nfs/dbraw/zinc/43/37/11/432433711.db2.gz IOLKHHLWLPUKSC-INIZCTEOSA-N 1 0 321.509 3.473 10 0 DGAERO C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccnn1C ZINC000192985642 432437467 /nfs/dbraw/zinc/43/74/67/432437467.db2.gz AEEVRRYCBQQFMA-NSHDSACASA-N 1 0 313.323 3.169 10 0 DGAERO Clc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000153742910 432438716 /nfs/dbraw/zinc/43/87/16/432438716.db2.gz YZFVCOIXPLVQED-SUMWQHHRSA-N 1 0 316.836 3.331 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1scnc1C1CCCC1 ZINC000184862314 432441895 /nfs/dbraw/zinc/44/18/95/432441895.db2.gz SKTLDMQODFYLDF-GXTWGEPZSA-N 1 0 319.474 3.109 10 0 DGAERO Cc1sc2nc(C)nc(N[C@H](C)[C@H]3CCC[NH2+]C3)c2c1C ZINC000261692473 432443072 /nfs/dbraw/zinc/44/30/72/432443072.db2.gz NMOBZYPTXVLWNM-MFKMUULPSA-N 1 0 304.463 3.417 10 0 DGAERO FC(F)(F)c1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261691698 432443108 /nfs/dbraw/zinc/44/31/08/432443108.db2.gz JBAQWKHBQFMUQC-INIZCTEOSA-N 1 0 321.346 3.247 10 0 DGAERO CC1CC[NH+](CCCCNC(=O)N2C[C@H](C)CC[C@@H]2C)CC1 ZINC000175511375 432443807 /nfs/dbraw/zinc/44/38/07/432443807.db2.gz OEJWLKOYOMBQJD-SJORKVTESA-N 1 0 309.498 3.329 10 0 DGAERO C[C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1cccs1 ZINC000261717115 432444389 /nfs/dbraw/zinc/44/43/89/432444389.db2.gz LFLRWVOMVMVUGC-JTQLQIEISA-N 1 0 304.390 3.275 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000184963670 432448692 /nfs/dbraw/zinc/44/86/92/432448692.db2.gz QRRPZFBDZAKKBN-QZTJIDSGSA-N 1 0 300.446 3.191 10 0 DGAERO CC[C@@H](C(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000261770716 432448717 /nfs/dbraw/zinc/44/87/17/432448717.db2.gz RHXWBEOGKWOXDE-LJQANCHMSA-N 1 0 310.441 3.210 10 0 DGAERO CSc1cccc(C)c1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000184978780 432452774 /nfs/dbraw/zinc/45/27/74/432452774.db2.gz FAYGAJVEVHWARA-AWEZNQCLSA-N 1 0 319.474 3.419 10 0 DGAERO Cc1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261815135 432452903 /nfs/dbraw/zinc/45/29/03/432452903.db2.gz XEPHQIFSVBODLJ-KRWDZBQOSA-N 1 0 301.821 3.190 10 0 DGAERO [NH3+]CCCCCCC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000153880710 432453018 /nfs/dbraw/zinc/45/30/18/432453018.db2.gz LHTLGRRLJKVAOT-UHFFFAOYSA-N 1 0 322.424 3.105 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175624966 432453831 /nfs/dbraw/zinc/45/38/31/432453831.db2.gz RFIKCTPTIJQXOH-GOEBONIOSA-N 1 0 314.433 3.247 10 0 DGAERO O[C@@H](C[NH+]1CCC(c2cc[nH]n2)CC1)c1ccc(F)cc1Cl ZINC000184989262 432454083 /nfs/dbraw/zinc/45/40/83/432454083.db2.gz MVNUZKFJYAPJRS-INIZCTEOSA-N 1 0 323.799 3.115 10 0 DGAERO Cc1ccc(-c2cc(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)on2)cc1 ZINC000261840084 432454566 /nfs/dbraw/zinc/45/45/66/432454566.db2.gz YNYDBSLDHOFAJC-SJPCQFCGSA-N 1 0 311.429 3.365 10 0 DGAERO CC[C@H](C)[C@@H](C)[N@H+](Cc1cc(-c2cnn(C)c2)no1)C1CC1 ZINC000184997978 432454930 /nfs/dbraw/zinc/45/49/30/432454930.db2.gz YPNBIEDXALSNRF-QWHCGFSZSA-N 1 0 302.422 3.474 10 0 DGAERO C[NH2+][C@H](C)Cc1noc(-c2ncoc2-c2ccccc2Cl)n1 ZINC000261866102 432455966 /nfs/dbraw/zinc/45/59/66/432455966.db2.gz UUPPJYLHEFJNLR-SECBINFHSA-N 1 0 318.764 3.195 10 0 DGAERO CC(C)[C@@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185005334 432456293 /nfs/dbraw/zinc/45/62/93/432456293.db2.gz GLMNBQZRXLJING-CQSZACIVSA-N 1 0 302.422 3.333 10 0 DGAERO CN(Cc1cc(Br)ccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261899456 432457972 /nfs/dbraw/zinc/45/79/72/432457972.db2.gz VTHMHSRNJQNHQR-CQSZACIVSA-N 1 0 315.230 3.020 10 0 DGAERO Cc1ccc([C@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)o1 ZINC000192781199 432412722 /nfs/dbraw/zinc/41/27/22/432412722.db2.gz WFOYRYBZRSHNMU-YVEFUNNKSA-N 1 0 316.376 3.398 10 0 DGAERO COc1ccc(-c2noc(C[NH2+][C@H](C)C3CCCC3)n2)cc1 ZINC000184625691 432414873 /nfs/dbraw/zinc/41/48/73/432414873.db2.gz RBMDLXORPNYFDD-GFCCVEGCSA-N 1 0 301.390 3.414 10 0 DGAERO COc1ccc(C[NH2+][C@H](C)c2ccnn2C)cc1Br ZINC000192802150 432416112 /nfs/dbraw/zinc/41/61/12/432416112.db2.gz PJYUXUZVRCUDGA-SNVBAGLBSA-N 1 0 324.222 3.042 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000175719903 432458838 /nfs/dbraw/zinc/45/88/38/432458838.db2.gz LXOOWLKYAGFTIV-UKRRQHHQSA-N 1 0 303.406 3.097 10 0 DGAERO O=C(NCc1ccc(C(F)F)cc1)C1CC[NH+](C2CC2)CC1 ZINC000192837062 432420154 /nfs/dbraw/zinc/42/01/54/432420154.db2.gz ZPARKVRWUHNIJW-UHFFFAOYSA-N 1 0 308.372 3.115 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(SC)c(OC)c1 ZINC000175334089 432425048 /nfs/dbraw/zinc/42/50/48/432425048.db2.gz SWHZZYBZDZTJNH-HNNXBMFYSA-N 1 0 308.491 3.333 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1sc(C)c(C)c1C ZINC000175341776 432426039 /nfs/dbraw/zinc/42/60/39/432426039.db2.gz KVAQDYCDLUWMKJ-OAHLLOKOSA-N 1 0 323.506 3.028 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccnn1C ZINC000192911769 432426953 /nfs/dbraw/zinc/42/69/53/432426953.db2.gz MOKFBHGGPJBCNP-ZDUSSCGKSA-N 1 0 315.417 3.226 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCC[C@H](C)[NH+]2CCCCC2)o1 ZINC000184730491 432427881 /nfs/dbraw/zinc/42/78/81/432427881.db2.gz HLFBBTGEAIRAQP-DZGCQCFKSA-N 1 0 307.438 3.213 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000262122048 432475524 /nfs/dbraw/zinc/47/55/24/432475524.db2.gz MGZKAXXMSRAVJG-GARJFASQSA-N 1 0 319.396 3.030 10 0 DGAERO C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccncc3)cc2)CC[NH2+]1 ZINC000262374856 432482803 /nfs/dbraw/zinc/48/28/03/432482803.db2.gz KNLBMBBNCGMYND-KBPBESRZSA-N 1 0 311.385 3.201 10 0 DGAERO CC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000262366114 432483107 /nfs/dbraw/zinc/48/31/07/432483107.db2.gz JJDCPFSPHABRFT-ZOBUZTSGSA-N 1 0 302.462 3.247 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCCC2=CCCCCC2)CC[N@@H+]1C ZINC000185265766 432483836 /nfs/dbraw/zinc/48/38/36/432483836.db2.gz KAIVUAPOJZPKFI-RDJZCZTQSA-N 1 0 307.482 3.391 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](c2nncn2C)C1 ZINC000185270140 432484324 /nfs/dbraw/zinc/48/43/24/432484324.db2.gz LQPGFXATPRNCQB-HNNXBMFYSA-N 1 0 321.428 3.364 10 0 DGAERO COc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000175980034 432484356 /nfs/dbraw/zinc/48/43/56/432484356.db2.gz GFCYIGPXJUJEBM-GOOCMWNKSA-N 1 0 317.433 3.140 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCCC2=CCCCCC2)CC[N@@H+]1C ZINC000185265717 432484771 /nfs/dbraw/zinc/48/47/71/432484771.db2.gz KAIVUAPOJZPKFI-NVXWUHKLSA-N 1 0 307.482 3.391 10 0 DGAERO CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000154273255 432487280 /nfs/dbraw/zinc/48/72/80/432487280.db2.gz JGJXSKIJRVUVMC-UKPHBRMFSA-N 1 0 309.475 3.219 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000176016405 432487534 /nfs/dbraw/zinc/48/75/34/432487534.db2.gz PJBKYYDIJMJIDK-CVEARBPZSA-N 1 0 321.509 3.471 10 0 DGAERO Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2C)o1 ZINC000193643814 432488271 /nfs/dbraw/zinc/48/82/71/432488271.db2.gz WXYLYODTRXBMQL-OAHLLOKOSA-N 1 0 300.402 3.206 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@H](CO)CC(C)C)s1 ZINC000185328490 432490479 /nfs/dbraw/zinc/49/04/79/432490479.db2.gz JZMLHWQLKCVEJE-JTQLQIEISA-N 1 0 310.385 3.309 10 0 DGAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(C)c(CC)c2)C1(C)C ZINC000262556656 432490795 /nfs/dbraw/zinc/49/07/95/432490795.db2.gz UHMUQEUBZWBJSN-CRAIPNDOSA-N 1 0 304.434 3.028 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000185342350 432492472 /nfs/dbraw/zinc/49/24/72/432492472.db2.gz LQMJRFCNSCHVCF-QMCVQRASSA-N 1 0 307.459 3.078 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000262581082 432492949 /nfs/dbraw/zinc/49/29/49/432492949.db2.gz LVXKINZDOWOQPU-TZMCWYRMSA-N 1 0 316.376 3.285 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Cc1ccccc1)C1CC1 ZINC000185346331 432492959 /nfs/dbraw/zinc/49/29/59/432492959.db2.gz OEEIXWGUAHVLOT-FQEVSTJZSA-N 1 0 322.452 3.256 10 0 DGAERO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1F ZINC000176122558 432494939 /nfs/dbraw/zinc/49/49/39/432494939.db2.gz ZOCYXJPLHCMVJY-GOOCMWNKSA-N 1 0 305.397 3.271 10 0 DGAERO CC[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000176164511 432498388 /nfs/dbraw/zinc/49/83/88/432498388.db2.gz QOCQHJASKDCZSZ-WMZOPIPTSA-N 1 0 317.477 3.306 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000176338649 432512905 /nfs/dbraw/zinc/51/29/05/432512905.db2.gz YOPZQXDWKIYGPW-PBHICJAKSA-N 1 0 319.449 3.342 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176346707 432512967 /nfs/dbraw/zinc/51/29/67/432512967.db2.gz RCDHNQPYSQFVEG-MRXNPFEDSA-N 1 0 314.433 3.424 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(SC)c1 ZINC000176251058 432503792 /nfs/dbraw/zinc/50/37/92/432503792.db2.gz IEZXLLNTMSNSKC-AWEZNQCLSA-N 1 0 307.463 3.357 10 0 DGAERO COC(=O)[C@@H]1CCCC[N@@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000185491692 432506066 /nfs/dbraw/zinc/50/60/66/432506066.db2.gz CYNBVOBVVREXOX-BPCQOVAHSA-N 1 0 307.356 3.383 10 0 DGAERO CN(C)c1nc(CN2CCC[C@@](C)(c3ccccc3)C2)ns1 ZINC000154574684 432508236 /nfs/dbraw/zinc/50/82/36/432508236.db2.gz LSHJFCDJXYDFMD-QGZVFWFLSA-N 1 0 316.474 3.158 10 0 DGAERO COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc1Cl ZINC000154623108 432511429 /nfs/dbraw/zinc/51/14/29/432511429.db2.gz NIVXKICPAQTGPN-NEPJUHHUSA-N 1 0 312.841 3.102 10 0 DGAERO CCOC[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000176328994 432511575 /nfs/dbraw/zinc/51/15/75/432511575.db2.gz GYWVMDCLPLYWKR-UONOGXRCSA-N 1 0 301.390 3.156 10 0 DGAERO CCC[C@@H](CC)NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000175762903 432462965 /nfs/dbraw/zinc/46/29/65/432462965.db2.gz DGMQTIDBGQMJKR-QGZVFWFLSA-N 1 0 317.477 3.137 10 0 DGAERO C[C@H]1CCCC[C@@H]1OCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261946406 432463210 /nfs/dbraw/zinc/46/32/10/432463210.db2.gz FIOZAMDBNDLBSM-WFASDCNBSA-N 1 0 301.390 3.291 10 0 DGAERO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1cnc(N)s1 ZINC000261954878 432464001 /nfs/dbraw/zinc/46/40/01/432464001.db2.gz GOJPZAIYRIAJAL-OAHLLOKOSA-N 1 0 303.431 3.243 10 0 DGAERO c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261979874 432464814 /nfs/dbraw/zinc/46/48/14/432464814.db2.gz RLLZHKBMHPCWQJ-NJDAHSKKSA-N 1 0 324.468 3.129 10 0 DGAERO CCC[C@H]([NH2+]C[C@H](O)c1ccccc1OC)c1cccnc1 ZINC000185096427 432465420 /nfs/dbraw/zinc/46/54/20/432465420.db2.gz OACHKVSRXUSOFM-IRXDYDNUSA-N 1 0 300.402 3.255 10 0 DGAERO C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)c1ccnn1C ZINC000193313976 432465648 /nfs/dbraw/zinc/46/56/48/432465648.db2.gz GUDKRZNNGWMSPI-LPHOPBHVSA-N 1 0 312.461 3.125 10 0 DGAERO C[NH2+]C[C@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000261970413 432466254 /nfs/dbraw/zinc/46/62/54/432466254.db2.gz QAPNQLVQTBUBLJ-LLVKDONJSA-N 1 0 315.339 3.169 10 0 DGAERO CC(C)C[C@H](C)OCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154073634 432470803 /nfs/dbraw/zinc/47/08/03/432470803.db2.gz GSZUHPIGMRTKEX-KRWDZBQOSA-N 1 0 324.509 3.162 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000185570097 432512253 /nfs/dbraw/zinc/51/22/53/432512253.db2.gz UHSAXCHWFWUNGV-GBESFXJTSA-N 1 0 314.473 3.259 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)NCc2cscn2)cc1)C(C)C ZINC000155327523 432550788 /nfs/dbraw/zinc/55/07/88/432550788.db2.gz PCZGEMDTTUXJON-UHFFFAOYSA-N 1 0 317.458 3.303 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000155401597 432552258 /nfs/dbraw/zinc/55/22/58/432552258.db2.gz QRSZBSXGNSGAOP-KXBFYZLASA-N 1 0 310.441 3.227 10 0 DGAERO Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1C ZINC000176800092 432554089 /nfs/dbraw/zinc/55/40/89/432554089.db2.gz ZOFMCPDIOCEVSG-HNNXBMFYSA-N 1 0 316.380 3.336 10 0 DGAERO CCc1ccccc1NC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000176799320 432554101 /nfs/dbraw/zinc/55/41/01/432554101.db2.gz GXOXZRSALXVECI-INIZCTEOSA-N 1 0 312.417 3.450 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC000155434279 432554280 /nfs/dbraw/zinc/55/42/80/432554280.db2.gz WGSUZSGMOFPQCK-CPUCHLNUSA-N 1 0 306.425 3.164 10 0 DGAERO CC[C@H](C)c1ccccc1OCC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194647984 432565456 /nfs/dbraw/zinc/56/54/56/432565456.db2.gz GUQNRGBEVDODCN-HOTGVXAUSA-N 1 0 318.461 3.179 10 0 DGAERO O=C(c1cccc2c1CCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194537352 432557537 /nfs/dbraw/zinc/55/75/37/432557537.db2.gz OMYABFNAXMJTQU-UHFFFAOYSA-N 1 0 312.457 3.123 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155502734 432558074 /nfs/dbraw/zinc/55/80/74/432558074.db2.gz IBZYYUBBJHYTOJ-SOLBZPMBSA-N 1 0 302.462 3.334 10 0 DGAERO Cc1nc(-c2ccccc2)ccc1C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155513090 432558955 /nfs/dbraw/zinc/55/89/55/432558955.db2.gz BJIXCRPFXKLJIA-GASCZTMLSA-N 1 0 323.440 3.222 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000155552737 432560706 /nfs/dbraw/zinc/56/07/06/432560706.db2.gz SCGDHYLQINVPAA-HRYATBACSA-N 1 0 322.452 3.494 10 0 DGAERO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)cc1F ZINC000176335031 432513362 /nfs/dbraw/zinc/51/33/62/432513362.db2.gz FVHZYBAGWAAXFK-CQSZACIVSA-N 1 0 322.399 3.364 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000176371691 432516210 /nfs/dbraw/zinc/51/62/10/432516210.db2.gz MVEQXUNNVKXELX-MRXNPFEDSA-N 1 0 314.433 3.126 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C)C12CCOCC2 ZINC000185661957 432519592 /nfs/dbraw/zinc/51/95/92/432519592.db2.gz HYGDLGNYMARLJI-DLBZAZTESA-N 1 0 307.409 3.198 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2C)C12CCOCC2 ZINC000185657472 432519787 /nfs/dbraw/zinc/51/97/87/432519787.db2.gz MXBDWQDFWNATPJ-ZWKOTPCHSA-N 1 0 303.446 3.367 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C)C12CCOCC2 ZINC000185662016 432520752 /nfs/dbraw/zinc/52/07/52/432520752.db2.gz HYGDLGNYMARLJI-SJORKVTESA-N 1 0 307.409 3.198 10 0 DGAERO Cc1ccc(CN(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000194070590 432522463 /nfs/dbraw/zinc/52/24/63/432522463.db2.gz QGGNKMXGYXNBAG-HNNXBMFYSA-N 1 0 321.465 3.384 10 0 DGAERO CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263174487 432524675 /nfs/dbraw/zinc/52/46/75/432524675.db2.gz GAUMPZGTDHOUSX-CZUORRHYSA-N 1 0 312.816 3.345 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(F)cc2F)[C@H](C)C1 ZINC000176467082 432525198 /nfs/dbraw/zinc/52/51/98/432525198.db2.gz OSUWPCUUJUWANZ-MLGOLLRUSA-N 1 0 310.388 3.076 10 0 DGAERO CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)C1CC[NH+](C)CC1 ZINC000194118617 432527189 /nfs/dbraw/zinc/52/71/89/432527189.db2.gz IPHUEGPGZWLHOH-UHFFFAOYSA-N 1 0 316.376 3.252 10 0 DGAERO COc1cc(-c2noc(C[N@@H+]3CCCC3(C)C)n2)ccc1C ZINC000154910598 432528826 /nfs/dbraw/zinc/52/88/26/432528826.db2.gz ZFTFSPKHKLBOPM-UHFFFAOYSA-N 1 0 301.390 3.428 10 0 DGAERO C[C@H](NC(=O)C1C[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000263275249 432530347 /nfs/dbraw/zinc/53/03/47/432530347.db2.gz ITHUYVYOXPXEGC-LBPRGKRZSA-N 1 0 314.360 3.015 10 0 DGAERO Cc1ccc(CN(C)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000194289359 432538456 /nfs/dbraw/zinc/53/84/56/432538456.db2.gz KFXMZQCZAXFNLC-SOUVJXGZSA-N 1 0 321.465 3.096 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)cnc2n1 ZINC000155091803 432538703 /nfs/dbraw/zinc/53/87/03/432538703.db2.gz CEIGIMLORCHSBA-SFHVURJKSA-N 1 0 320.440 3.411 10 0 DGAERO C[N@H+](CCNC(=O)Nc1ccc2cc[nH]c2c1)C1CCCC1 ZINC000194305339 432539462 /nfs/dbraw/zinc/53/94/62/432539462.db2.gz CIDKOELSLPNSPZ-UHFFFAOYSA-N 1 0 300.406 3.164 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000194314164 432541091 /nfs/dbraw/zinc/54/10/91/432541091.db2.gz ASCVGBFPWKEQSM-LLVKDONJSA-N 1 0 315.339 3.311 10 0 DGAERO C[C@H]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000194325492 432541847 /nfs/dbraw/zinc/54/18/47/432541847.db2.gz LPJYPFBKAYFMQF-DOTOQJQBSA-N 1 0 307.482 3.083 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000177294787 432608660 /nfs/dbraw/zinc/60/86/60/432608660.db2.gz LTGXUIGBBGSWBM-FUHWJXTLSA-N 1 0 317.477 3.133 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cc(=O)n3ccccc3n2)cc1 ZINC000156868955 432610434 /nfs/dbraw/zinc/61/04/34/432610434.db2.gz UHEYUZBAVAWRGN-MRXNPFEDSA-N 1 0 321.424 3.066 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000177312592 432610395 /nfs/dbraw/zinc/61/03/95/432610395.db2.gz QHURESQFFXQNNN-DZGCQCFKSA-N 1 0 314.433 3.076 10 0 DGAERO CCCCCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195314755 432617951 /nfs/dbraw/zinc/61/79/51/432617951.db2.gz CKOZOEHVEFIRMW-KRWDZBQOSA-N 1 0 316.445 3.176 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1coc(-c2ccccc2)n1 ZINC000157188642 432615741 /nfs/dbraw/zinc/61/57/41/432615741.db2.gz BKFQMFZZWBIQQT-HNNXBMFYSA-N 1 0 315.417 3.048 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1cccc2ccccc21)CN1CCOCC1 ZINC000177357631 432615889 /nfs/dbraw/zinc/61/58/89/432615889.db2.gz LPQITOQCYGDMPV-SJORKVTESA-N 1 0 312.457 3.459 10 0 DGAERO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186203327 432568440 /nfs/dbraw/zinc/56/84/40/432568440.db2.gz LXROXGNAIMWZBS-HIFRSBDPSA-N 1 0 322.424 3.048 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2OC)C12CCOCC2 ZINC000186209086 432569219 /nfs/dbraw/zinc/56/92/19/432569219.db2.gz QAPIHYVTPCINEK-JCGIZDLHSA-N 1 0 319.445 3.320 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2ccccc2C)C12CCOCC2 ZINC000186209170 432570054 /nfs/dbraw/zinc/57/00/54/432570054.db2.gz IDCZZUHBZUAJDM-ZWKOTPCHSA-N 1 0 303.446 3.101 10 0 DGAERO CCNc1ccc(Cl)cc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000176989685 432572594 /nfs/dbraw/zinc/57/25/94/432572594.db2.gz YLXKAWYPVMPERK-GXTWGEPZSA-N 1 0 321.852 3.081 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)c1cccc(F)c1 ZINC000176993588 432572666 /nfs/dbraw/zinc/57/26/66/432572666.db2.gz RCYFDRNPUBMDCI-INIZCTEOSA-N 1 0 306.425 3.046 10 0 DGAERO Fc1ccc2oc(CN3CCC[C@H]3C[NH+]3CCCC3)nc2c1 ZINC000177058289 432580040 /nfs/dbraw/zinc/58/00/40/432580040.db2.gz GQEQEUYHTSAUKI-AWEZNQCLSA-N 1 0 303.381 3.027 10 0 DGAERO COC(=O)[C@@]1(C)CCCN1Cc1ccc(Cl)c2cccnc12 ZINC000186376345 432588490 /nfs/dbraw/zinc/58/84/90/432588490.db2.gz NNSHGOOMICJPQY-QGZVFWFLSA-N 1 0 318.804 3.416 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2)C12CCOCC2 ZINC000186429335 432594862 /nfs/dbraw/zinc/59/48/62/432594862.db2.gz DAENXPODNZSREE-MSOLQXFVSA-N 1 0 319.445 3.067 10 0 DGAERO CCn1c(C)nnc1CN(C)Cc1ccc(Br)cc1 ZINC000195018834 432595005 /nfs/dbraw/zinc/59/50/05/432595005.db2.gz IOERVVHFCZJJCQ-UHFFFAOYSA-N 1 0 323.238 3.001 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000177207301 432596761 /nfs/dbraw/zinc/59/67/61/432596761.db2.gz LBEYZVXGBNPOMS-KSSFIOAISA-N 1 0 311.429 3.140 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000156405533 432597256 /nfs/dbraw/zinc/59/72/56/432597256.db2.gz CHMDJYNCSWGRAI-MBKADJTMSA-N 1 0 300.446 3.265 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)c2cc3cc(Cl)ccc3o2)C[N@@H+]1C1CC1 ZINC000177201831 432597340 /nfs/dbraw/zinc/59/73/40/432597340.db2.gz UIVAZDQGSLSHOC-MFKMUULPSA-N 1 0 318.804 3.441 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1-n1cccn1 ZINC000177211008 432599140 /nfs/dbraw/zinc/59/91/40/432599140.db2.gz WFWVWAVDCVYKLR-RHSMWYFYSA-N 1 0 321.428 3.334 10 0 DGAERO O=C(c1csc2ccccc12)N1CCN2CCCC[C@@H]2C1 ZINC000195073631 432599809 /nfs/dbraw/zinc/59/98/09/432599809.db2.gz AODIKDKTODRPDN-CYBMUJFWSA-N 1 0 300.427 3.212 10 0 DGAERO O=C(CCSc1ccccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195079615 432600123 /nfs/dbraw/zinc/60/01/23/432600123.db2.gz IIBNOBQTYBBMLX-CQSZACIVSA-N 1 0 322.449 3.005 10 0 DGAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000177244695 432602440 /nfs/dbraw/zinc/60/24/40/432602440.db2.gz TTYZOIHEVRMBSV-UZLBHIALSA-N 1 0 312.457 3.337 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]1C ZINC000156670781 432603883 /nfs/dbraw/zinc/60/38/83/432603883.db2.gz XBYDIMWYOVKOPG-AKNDPVLGSA-N 1 0 309.498 3.231 10 0 DGAERO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)COCc2cccs2)c1 ZINC000157337743 432619692 /nfs/dbraw/zinc/61/96/92/432619692.db2.gz WWJFLMRQJZFXOQ-GOEBONIOSA-N 1 0 305.443 3.285 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177421696 432623179 /nfs/dbraw/zinc/62/31/79/432623179.db2.gz BWKRLKFRBNZFTB-MRXNPFEDSA-N 1 0 314.473 3.388 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505980 432625577 /nfs/dbraw/zinc/62/55/77/432625577.db2.gz PRTWSZKDKMQUMI-ZDUSSCGKSA-N 1 0 323.400 3.400 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NCc2ccccc2Cl)CC1 ZINC000157642566 432626834 /nfs/dbraw/zinc/62/68/34/432626834.db2.gz HSFACNGKLONNJZ-UHFFFAOYSA-N 1 0 323.868 3.261 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000186850274 432633661 /nfs/dbraw/zinc/63/36/61/432633661.db2.gz PYGKYTABSMHPLM-CABCVRRESA-N 1 0 303.512 3.396 10 0 DGAERO COc1ccc(O)cc1C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000186977670 432640011 /nfs/dbraw/zinc/64/00/11/432640011.db2.gz VOZXBTBJELBFLW-UHFFFAOYSA-N 1 0 314.385 3.023 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(OC)c2)[C@H](C)C1 ZINC000187136821 432648390 /nfs/dbraw/zinc/64/83/90/432648390.db2.gz IMWVNMUFNMJXLA-IUODEOHRSA-N 1 0 323.412 3.028 10 0 DGAERO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](C)COC ZINC000187100026 432646386 /nfs/dbraw/zinc/64/63/86/432646386.db2.gz GZADMHWSIYAFGV-PBHICJAKSA-N 1 0 301.434 3.476 10 0 DGAERO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCN(c3cccnn3)CC2)C1 ZINC000187112036 432647001 /nfs/dbraw/zinc/64/70/01/432647001.db2.gz KRQOWQVLLJHTAS-AZUAARDMSA-N 1 0 322.456 3.109 10 0 DGAERO CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000159065678 432669141 /nfs/dbraw/zinc/66/91/41/432669141.db2.gz NFMDQBZUXFPVNW-RBUKOAKNSA-N 1 0 310.441 3.427 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000177703399 432652069 /nfs/dbraw/zinc/65/20/69/432652069.db2.gz NRKAMFBAAPQLCP-QWHCGFSZSA-N 1 0 320.462 3.275 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)C(=O)NCc1ccccc1)Cc1ccccc1 ZINC000158764664 432657699 /nfs/dbraw/zinc/65/76/99/432657699.db2.gz YUXHJDHEPCNGFI-IRXDYDNUSA-N 1 0 310.441 3.160 10 0 DGAERO C[C@H](CC[NH2+][C@H](C)C1CCSCC1)NC(=O)OC(C)(C)C ZINC000187324463 432658372 /nfs/dbraw/zinc/65/83/72/432658372.db2.gz OFSGZNCJVLOKGO-CHWSQXEVSA-N 1 0 316.511 3.411 10 0 DGAERO C[C@H](C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000187356486 432659689 /nfs/dbraw/zinc/65/96/89/432659689.db2.gz OKQVCEISFCSIQQ-ZWNOBZJWSA-N 1 0 307.743 3.443 10 0 DGAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2CO)ccc1Br ZINC000219388730 432662056 /nfs/dbraw/zinc/66/20/56/432662056.db2.gz PJKXXPZYMFPHEU-ZFWWWQNUSA-N 1 0 312.251 3.398 10 0 DGAERO O=C(Nc1ncc([C@H]2CCC[NH2+]C2)s1)Nc1ccccc1 ZINC000219199823 432662361 /nfs/dbraw/zinc/66/23/61/432662361.db2.gz HVBTZZCQZVHVAZ-NSHDSACASA-N 1 0 302.403 3.254 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000159119577 432670034 /nfs/dbraw/zinc/67/00/34/432670034.db2.gz DGAGCUFWEHXEFE-YOEHRIQHSA-N 1 0 319.424 3.336 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)s1 ZINC000187928960 432693067 /nfs/dbraw/zinc/69/30/67/432693067.db2.gz ZCWDBBZBZCOHGL-TVQRCGJNSA-N 1 0 322.396 3.453 10 0 DGAERO CC(C)n1cc(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)cn1 ZINC000187934175 432693184 /nfs/dbraw/zinc/69/31/84/432693184.db2.gz IUIWWVNFVNVLQR-CQSZACIVSA-N 1 0 323.400 3.141 10 0 DGAERO COC[C@@H]([NH2+]CCc1c[nH]c2cccc(C)c12)C1CCOCC1 ZINC000187948488 432695075 /nfs/dbraw/zinc/69/50/75/432695075.db2.gz NJQQFKDSCCYZJY-GOSISDBHSA-N 1 0 316.445 3.050 10 0 DGAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000187938381 432695539 /nfs/dbraw/zinc/69/55/39/432695539.db2.gz LTGZQQKSNZJPHF-INIZCTEOSA-N 1 0 315.841 3.004 10 0 DGAERO C[C@@H](O)C1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000225790309 432697204 /nfs/dbraw/zinc/69/72/04/432697204.db2.gz PAOVPFYQYWNRFR-SNVBAGLBSA-N 1 0 316.214 3.181 10 0 DGAERO C[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1ccccn1 ZINC000188006579 432698542 /nfs/dbraw/zinc/69/85/42/432698542.db2.gz BCFXMHZQBCOMPK-CQSZACIVSA-N 1 0 315.848 3.444 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)CCCO2 ZINC000178182303 432704726 /nfs/dbraw/zinc/70/47/26/432704726.db2.gz YEBAISSLEFOQGH-KRWDZBQOSA-N 1 0 310.397 3.097 10 0 DGAERO COC[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)c(Br)c1 ZINC000188148954 432707272 /nfs/dbraw/zinc/70/72/72/432707272.db2.gz VAMIQAWYISJRRK-WDEREUQCSA-N 1 0 318.230 3.391 10 0 DGAERO COC[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)C1CCOCC1 ZINC000188152033 432707794 /nfs/dbraw/zinc/70/77/94/432707794.db2.gz XBTNWLRPPOMXQM-IAGOWNOFSA-N 1 0 319.445 3.320 10 0 DGAERO Cc1c(Cl)c(C[N@@H+]2CC[C@H](CCO)C2)nc2ccccc12 ZINC000227566488 432711920 /nfs/dbraw/zinc/71/19/20/432711920.db2.gz GFXDXWJYKMPTQG-CYBMUJFWSA-N 1 0 304.821 3.401 10 0 DGAERO CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1nccs1 ZINC000178263279 432713371 /nfs/dbraw/zinc/71/33/71/432713371.db2.gz ZSAAQULXRHWXCF-HIFRSBDPSA-N 1 0 321.490 3.365 10 0 DGAERO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227854837 432715122 /nfs/dbraw/zinc/71/51/22/432715122.db2.gz YOILMXWSVSOMIP-LURJTMIESA-N 1 0 312.660 3.413 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000178288107 432716119 /nfs/dbraw/zinc/71/61/19/432716119.db2.gz ASZXDNYKUAEVCR-SFHVURJKSA-N 1 0 306.413 3.404 10 0 DGAERO COc1cccc(CCC[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178294449 432717649 /nfs/dbraw/zinc/71/76/49/432717649.db2.gz QKMVWKIINQZAKU-GOSISDBHSA-N 1 0 313.445 3.297 10 0 DGAERO CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)cc1OC ZINC000188309876 432718412 /nfs/dbraw/zinc/71/84/12/432718412.db2.gz DUSIFNVSTNXBMH-RDTXWAMCSA-N 1 0 307.434 3.341 10 0 DGAERO CCCOc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000178344128 432724118 /nfs/dbraw/zinc/72/41/18/432724118.db2.gz BEGIORMYHSUVMY-HNNXBMFYSA-N 1 0 304.434 3.139 10 0 DGAERO CCC1(CC)C[N@H+](Cc2cccc3[nH]ccc32)CC[S@]1=O ZINC000187559155 432670867 /nfs/dbraw/zinc/67/08/67/432670867.db2.gz LHPHRQGLFOWUQU-OAQYLSRUSA-N 1 0 304.459 3.291 10 0 DGAERO CCC1(CC)C[N@H+](C[C@@H](C)c2ccc(OC)cc2)CC[S@@]1=O ZINC000187561885 432671577 /nfs/dbraw/zinc/67/15/77/432671577.db2.gz YHNYMSNJEZDHGT-QRQCRPRQSA-N 1 0 323.502 3.422 10 0 DGAERO CCN(CCc1nccs1)Cc1nc(CCC(C)C)no1 ZINC000159200263 432673766 /nfs/dbraw/zinc/67/37/66/432673766.db2.gz PHDZSZRHUVYBMT-UHFFFAOYSA-N 1 0 308.451 3.179 10 0 DGAERO CCCC[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(=O)Nc1cc(C)on1 ZINC000187651436 432675211 /nfs/dbraw/zinc/67/52/11/432675211.db2.gz UOHSVNKSJBKZQJ-KGLIPLIRSA-N 1 0 323.437 3.028 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000187689942 432675561 /nfs/dbraw/zinc/67/55/61/432675561.db2.gz UJRWLDMIMFCSKH-WMZOPIPTSA-N 1 0 320.477 3.094 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1cc2ccccc2s1)N1CCOCC1 ZINC000187728797 432680429 /nfs/dbraw/zinc/68/04/29/432680429.db2.gz PHLFBVASOUSFPO-KGLIPLIRSA-N 1 0 304.459 3.273 10 0 DGAERO CCOc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)cc1 ZINC000178023933 432685954 /nfs/dbraw/zinc/68/59/54/432685954.db2.gz DUBZSKWCQXPVEF-OAHLLOKOSA-N 1 0 312.413 3.166 10 0 DGAERO Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000178048081 432688179 /nfs/dbraw/zinc/68/81/79/432688179.db2.gz WOKIDAJOMAUMID-HNNXBMFYSA-N 1 0 307.401 3.130 10 0 DGAERO CC1(C)Cc2occc2[C@H]([NH2+]Cc2cccnc2-n2cncn2)C1 ZINC000178051225 432689572 /nfs/dbraw/zinc/68/95/72/432689572.db2.gz KWLHWDVAEDSQGI-OAHLLOKOSA-N 1 0 323.400 3.059 10 0 DGAERO C[N@H+](CCOCC(F)(F)C(F)F)CCc1ccc(F)cc1 ZINC000188876670 432750164 /nfs/dbraw/zinc/75/01/64/432750164.db2.gz ZLFGWMILTZWTJX-UHFFFAOYSA-N 1 0 311.294 3.217 10 0 DGAERO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)CCC2 ZINC000178565734 432754404 /nfs/dbraw/zinc/75/44/04/432754404.db2.gz GFKVXVAPYBTHQV-AWEZNQCLSA-N 1 0 306.406 3.250 10 0 DGAERO CCCOc1ccc(C[N@H+](C)CC2(CO)CC2)cc1OCC ZINC000188947924 432755388 /nfs/dbraw/zinc/75/53/88/432755388.db2.gz WYHFIDTVVGAQLH-UHFFFAOYSA-N 1 0 307.434 3.078 10 0 DGAERO CCC1(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000178588176 432756025 /nfs/dbraw/zinc/75/60/25/432756025.db2.gz NDQHWQRNSSWPGA-QGZVFWFLSA-N 1 0 300.446 3.348 10 0 DGAERO CC(C)COc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000236687660 432756400 /nfs/dbraw/zinc/75/64/00/432756400.db2.gz ZOKCHUCOVHSRBF-NEPJUHHUSA-N 1 0 310.825 3.441 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1 ZINC000189021002 432758446 /nfs/dbraw/zinc/75/84/46/432758446.db2.gz PDNUSZUXRKCURE-QFBILLFUSA-N 1 0 313.441 3.300 10 0 DGAERO CCC[C@@H](C(=O)N[C@H](C)Cc1nc2ccccc2s1)[NH+](C)C ZINC000178662795 432763219 /nfs/dbraw/zinc/76/32/19/432763219.db2.gz UDSWLBZIXVIDDT-OCCSQVGLSA-N 1 0 319.474 3.074 10 0 DGAERO CC(C)[N@H+](Cc1nc(-c2ccccc2F)no1)C1CCOCC1 ZINC000189114529 432764457 /nfs/dbraw/zinc/76/44/57/432764457.db2.gz WWEBGYWUIJSZAK-UHFFFAOYSA-N 1 0 319.380 3.265 10 0 DGAERO CCCCCOc1cc(C)ccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236763048 432764606 /nfs/dbraw/zinc/76/46/06/432764606.db2.gz TVZIYUNMTIPVSE-DOTOQJQBSA-N 1 0 318.461 3.308 10 0 DGAERO [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161497994 432782694 /nfs/dbraw/zinc/78/26/94/432782694.db2.gz ZICLLZNXRLNHIQ-NSHDSACASA-N 1 0 315.230 3.149 10 0 DGAERO CCO[C@H]1C[C@@H](N(C)C(=O)CCCCCC[NH3+])C12CCCC2 ZINC000236949777 432772954 /nfs/dbraw/zinc/77/29/54/432772954.db2.gz FGQKNXLPVNOSTK-CVEARBPZSA-N 1 0 310.482 3.092 10 0 DGAERO CCCOc1ccc(C[NH2+][C@H](COC)C2CCOCC2)c(C)c1 ZINC000189273103 432772974 /nfs/dbraw/zinc/77/29/74/432772974.db2.gz GVJNMJHLQLNEAK-LJQANCHMSA-N 1 0 321.461 3.315 10 0 DGAERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1C ZINC000189255465 432773166 /nfs/dbraw/zinc/77/31/66/432773166.db2.gz HTFJCNMTSKFJRM-WFASDCNBSA-N 1 0 310.825 3.025 10 0 DGAERO CO[C@H]1CN(Cc2ncc(-c3ccc(F)cc3)o2)CC[C@H]1C ZINC000189300760 432775492 /nfs/dbraw/zinc/77/54/92/432775492.db2.gz MNXNFBZEXFGBGS-WBMJQRKESA-N 1 0 304.365 3.338 10 0 DGAERO C[C@@H](CCC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000178784333 432776654 /nfs/dbraw/zinc/77/66/54/432776654.db2.gz VYPUBVUTIDINSX-INIZCTEOSA-N 1 0 300.446 3.267 10 0 DGAERO CC(C)c1csc([C@H]2CCCN(C(=O)C[C@H]3CCC[NH2+]3)C2)n1 ZINC000178813144 432778843 /nfs/dbraw/zinc/77/88/43/432778843.db2.gz YCRPIAKMZQGFOH-UONOGXRCSA-N 1 0 321.490 3.115 10 0 DGAERO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Cl)cc1Br ZINC000160619935 432731479 /nfs/dbraw/zinc/73/14/79/432731479.db2.gz LUWBRMUAMWARQI-QMMMGPOBSA-N 1 0 306.631 3.352 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000188552345 432732711 /nfs/dbraw/zinc/73/27/11/432732711.db2.gz WNRMIVVYPLATQF-OLZOCXBDSA-N 1 0 323.403 3.091 10 0 DGAERO CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)s1 ZINC000178443774 432736557 /nfs/dbraw/zinc/73/65/57/432736557.db2.gz OBOQFILAFDFDRE-RISCZKNCSA-N 1 0 320.458 3.407 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000178444254 432736771 /nfs/dbraw/zinc/73/67/71/432736771.db2.gz QZENUQWBCYSQBD-ZBEGNZNMSA-N 1 0 307.340 3.358 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000178443936 432737542 /nfs/dbraw/zinc/73/75/42/432737542.db2.gz LKYKVHJJNPPSAI-MOPGFXCFSA-N 1 0 311.425 3.340 10 0 DGAERO CCc1ccc(-c2ccc(C(=O)N3CC[NH+]4CCC3CC4)o2)cc1 ZINC000188643193 432737816 /nfs/dbraw/zinc/73/78/16/432737816.db2.gz QDOQFOOOKUTNEL-UHFFFAOYSA-N 1 0 324.424 3.429 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1ccc(OC)cc1 ZINC000178445586 432738686 /nfs/dbraw/zinc/73/86/86/432738686.db2.gz JGEKYDQBZVHROI-ZWKOTPCHSA-N 1 0 315.413 3.478 10 0 DGAERO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000178457360 432739858 /nfs/dbraw/zinc/73/98/58/432739858.db2.gz QYCAUGHBRGEVFM-YJBOKZPZSA-N 1 0 300.446 3.203 10 0 DGAERO COCCC[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000178508832 432745223 /nfs/dbraw/zinc/74/52/23/432745223.db2.gz VRUJQRXDEJGEMT-OAHLLOKOSA-N 1 0 304.434 3.108 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(OCCF)c1 ZINC000162327664 432820427 /nfs/dbraw/zinc/82/04/27/432820427.db2.gz ODTZXKRJNNWHCH-CQSZACIVSA-N 1 0 323.412 3.031 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(OC2CCC2)c(F)c1)[NH+](C)C ZINC000162406416 432822717 /nfs/dbraw/zinc/82/27/17/432822717.db2.gz OLBCSGQRSYKHPJ-HNNXBMFYSA-N 1 0 308.397 3.426 10 0 DGAERO CC1(C)Cc2occc2[C@@H]([NH2+]CCNC(=O)c2ccccc2)C1 ZINC000162517515 432825743 /nfs/dbraw/zinc/82/57/43/432825743.db2.gz SXROANQKKRBEFM-INIZCTEOSA-N 1 0 312.413 3.313 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000245419392 432827880 /nfs/dbraw/zinc/82/78/80/432827880.db2.gz LTGXUIGBBGSWBM-AEFFLSMTSA-N 1 0 317.477 3.133 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000245416322 432828442 /nfs/dbraw/zinc/82/84/42/432828442.db2.gz HTQZYAIQZLWFHJ-HIFRSBDPSA-N 1 0 323.506 3.113 10 0 DGAERO Cn1ccnc1CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000162604073 432828461 /nfs/dbraw/zinc/82/84/61/432828461.db2.gz IPBCHVQNUNIEAG-UHFFFAOYSA-N 1 0 317.820 3.168 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000245429150 432829477 /nfs/dbraw/zinc/82/94/77/432829477.db2.gz MXLVIVNATDGOCG-KBXCAEBGSA-N 1 0 312.461 3.100 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)c(C)c1 ZINC000245427877 432829553 /nfs/dbraw/zinc/82/95/53/432829553.db2.gz IFJJOZRBBXIPID-SJORKVTESA-N 1 0 301.434 3.394 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(F)c1 ZINC000245436572 432830318 /nfs/dbraw/zinc/83/03/18/432830318.db2.gz VGMJLLRNIXPTMV-STQMWFEESA-N 1 0 309.360 3.055 10 0 DGAERO Cc1sc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1C ZINC000245450840 432831568 /nfs/dbraw/zinc/83/15/68/432831568.db2.gz OZRFXXDFYSXMLQ-NHYWBVRUSA-N 1 0 323.506 3.026 10 0 DGAERO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000162727900 432832478 /nfs/dbraw/zinc/83/24/78/432832478.db2.gz ASWHJLYYCAYXIU-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1CCCc2sccc21 ZINC000162826287 432836117 /nfs/dbraw/zinc/83/61/17/432836117.db2.gz MIVHJZJLHPQHOW-OAHLLOKOSA-N 1 0 321.490 3.301 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@H](C)c1nc(C(C)(C)C)no1)CC2 ZINC000245485137 432837073 /nfs/dbraw/zinc/83/70/73/432837073.db2.gz IVCGANNTXYWMIZ-KFWWJZLASA-N 1 0 320.481 3.375 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-c3ccccn3)c2C)C1 ZINC000178860139 432783183 /nfs/dbraw/zinc/78/31/83/432783183.db2.gz QZYLPPKOYRMEMH-INIZCTEOSA-N 1 0 323.440 3.271 10 0 DGAERO O[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245505066 432838170 /nfs/dbraw/zinc/83/81/70/432838170.db2.gz FOUKKUZUQKXSKG-KBPBESRZSA-N 1 0 303.299 3.202 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccc(Cl)c1F ZINC000161530984 432785177 /nfs/dbraw/zinc/78/51/77/432785177.db2.gz XGHIZDGWMSETMF-DOMZBBRYSA-N 1 0 314.832 3.241 10 0 DGAERO CNC(=O)[C@@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)C(C)C ZINC000178950998 432790649 /nfs/dbraw/zinc/79/06/49/432790649.db2.gz XSDSJUTYIQJJAF-INIZCTEOSA-N 1 0 322.355 3.085 10 0 DGAERO CC(C)=CC[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000189522040 432795910 /nfs/dbraw/zinc/79/59/10/432795910.db2.gz JVTHPKFJTLNFHS-UHFFFAOYSA-N 1 0 302.447 3.088 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 ZINC000179016012 432796871 /nfs/dbraw/zinc/79/68/71/432796871.db2.gz SXWFAHDZABHTBF-SJORKVTESA-N 1 0 313.376 3.393 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+]C3CC(OC(C)C)C3)C2)c1 ZINC000189536611 432798547 /nfs/dbraw/zinc/79/85/47/432798547.db2.gz CWNIOZDQTKMTDW-MDCZIUGASA-N 1 0 318.461 3.210 10 0 DGAERO [NH3+]C[C@H](NC(=O)CCCc1ccc(F)c(F)c1)C1CCCCC1 ZINC000237856298 432803307 /nfs/dbraw/zinc/80/33/07/432803307.db2.gz MXXCCEFMYHQSRT-KRWDZBQOSA-N 1 0 324.415 3.311 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000238012880 432809526 /nfs/dbraw/zinc/80/95/26/432809526.db2.gz ZCFJPFVKFQPLQD-CJNGLKHVSA-N 1 0 320.864 3.395 10 0 DGAERO Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H](Cn3cncn3)C1)CCC2 ZINC000245519930 432838883 /nfs/dbraw/zinc/83/88/83/432838883.db2.gz SNGSRSGJALQSRR-RDTXWAMCSA-N 1 0 314.408 3.207 10 0 DGAERO COc1cc2c(c(C[NH2+]C[C@@H]3CCC(C)(C)O3)c1)O[C@@H](C)C2 ZINC000189721040 432814704 /nfs/dbraw/zinc/81/47/04/432814704.db2.gz UAHKYCFGPIOORP-WFASDCNBSA-N 1 0 305.418 3.066 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)O1 ZINC000189737175 432815711 /nfs/dbraw/zinc/81/57/11/432815711.db2.gz GSKGZRHZSUFART-NSHDSACASA-N 1 0 303.324 3.474 10 0 DGAERO CCCOc1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245745878 432860543 /nfs/dbraw/zinc/86/05/43/432860543.db2.gz GQNYMVFLORVKAM-ZBFHGGJFSA-N 1 0 317.433 3.176 10 0 DGAERO CC[C@@H]1CN(C/C=C/c2ccc(Cl)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245785041 432863092 /nfs/dbraw/zinc/86/30/92/432863092.db2.gz VBSGVCRTQSFCSH-PUBSZHEZSA-N 1 0 322.880 3.130 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC000245901274 432867770 /nfs/dbraw/zinc/86/77/70/432867770.db2.gz SDRVRJCBEDDKQE-DOTOQJQBSA-N 1 0 318.461 3.132 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)CC3 ZINC000245895258 432868433 /nfs/dbraw/zinc/86/84/33/432868433.db2.gz CWOZQRNOSUQDPD-DAYGRLMNSA-N 1 0 312.457 3.474 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(OC)c2)C12CCCC2 ZINC000245911096 432868876 /nfs/dbraw/zinc/86/88/76/432868876.db2.gz PHGHZQOMNSSMQK-KZNAEPCWSA-N 1 0 319.445 3.056 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(-c2cccs2)on1 ZINC000245955277 432872222 /nfs/dbraw/zinc/87/22/22/432872222.db2.gz CNYVFGYULHYFKK-GJZGRUSLSA-N 1 0 317.458 3.462 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C)c1F ZINC000245947120 432872253 /nfs/dbraw/zinc/87/22/53/432872253.db2.gz VVISLWLRKXLXDC-KGLIPLIRSA-N 1 0 305.397 3.225 10 0 DGAERO CCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245957889 432872403 /nfs/dbraw/zinc/87/24/03/432872403.db2.gz CHVNLLKUDQTKRB-RHSMWYFYSA-N 1 0 303.450 3.443 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000246052754 432875466 /nfs/dbraw/zinc/87/54/66/432875466.db2.gz XMBZPOFNPQMFFU-WFASDCNBSA-N 1 0 307.825 3.288 10 0 DGAERO C[C@@H]1CCC[C@H](CC[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)C1 ZINC000245523946 432840108 /nfs/dbraw/zinc/84/01/08/432840108.db2.gz NHWHIAPPZZTKOU-VAMGGRTRSA-N 1 0 321.553 3.305 10 0 DGAERO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)n1 ZINC000245539220 432842078 /nfs/dbraw/zinc/84/20/78/432842078.db2.gz KQQQWYMWYIPKSB-IAGOWNOFSA-N 1 0 313.445 3.397 10 0 DGAERO c1cc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc2c1OCC2 ZINC000245550290 432843151 /nfs/dbraw/zinc/84/31/51/432843151.db2.gz HLCIHQXFFKPFLK-QXAKKESOSA-N 1 0 313.441 3.101 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(F)c1C ZINC000245578698 432847329 /nfs/dbraw/zinc/84/73/29/432847329.db2.gz HJYVLNJEROMTCY-KBPBESRZSA-N 1 0 305.397 3.225 10 0 DGAERO COc1cc(C[NH2+]C2CC(F)(F)C2)cc(Br)c1O ZINC000277414463 432847812 /nfs/dbraw/zinc/84/78/12/432847812.db2.gz GADGPYBIFHVWHJ-UHFFFAOYSA-N 1 0 322.149 3.051 10 0 DGAERO C[C@@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C[C@H]1n1ccnc1 ZINC000245612030 432849197 /nfs/dbraw/zinc/84/91/97/432849197.db2.gz VYUWFFDQIVCCTG-RHSMWYFYSA-N 1 0 315.392 3.178 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000245612992 432849727 /nfs/dbraw/zinc/84/97/27/432849727.db2.gz KFAARTRDWZLWEW-KBXCAEBGSA-N 1 0 312.413 3.405 10 0 DGAERO CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000245627446 432851128 /nfs/dbraw/zinc/85/11/28/432851128.db2.gz YXJNONUFOFXKHA-RYRKJORJSA-N 1 0 319.468 3.114 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000245637859 432851636 /nfs/dbraw/zinc/85/16/36/432851636.db2.gz JXFMIORKDUYYMQ-DLBZAZTESA-N 1 0 313.376 3.393 10 0 DGAERO CN1CC[C@H]([NH2+]CC2=Cc3ccccc3OC2)[C@H]1c1ccccc1 ZINC000245636456 432851841 /nfs/dbraw/zinc/85/18/41/432851841.db2.gz JMXKZJWTCHSJNI-PZJWPPBQSA-N 1 0 320.436 3.497 10 0 DGAERO C[C@H](CCCc1ccccc1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245636643 432852099 /nfs/dbraw/zinc/85/20/99/432852099.db2.gz CEMUECHZWLMEOX-ZIFCJYIRSA-N 1 0 314.473 3.341 10 0 DGAERO Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000245656015 432852866 /nfs/dbraw/zinc/85/28/66/432852866.db2.gz OEFVLBSZCZFEHH-OALUTQOASA-N 1 0 323.440 3.240 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245659192 432854633 /nfs/dbraw/zinc/85/46/33/432854633.db2.gz CXEBSCUHJPELKX-NXHRZFHOSA-N 1 0 317.477 3.365 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000245681233 432856130 /nfs/dbraw/zinc/85/61/30/432856130.db2.gz MOISGEJYZISNIB-SJORKVTESA-N 1 0 306.356 3.401 10 0 DGAERO FC(F)SCc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000245703686 432856611 /nfs/dbraw/zinc/85/66/11/432856611.db2.gz DOVSMMHBDQIXBN-NSHDSACASA-N 1 0 302.390 3.015 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000277542947 432859632 /nfs/dbraw/zinc/85/96/32/432859632.db2.gz XAHMHRJGBRERFF-SFHVURJKSA-N 1 0 310.445 3.183 10 0 DGAERO c1cc(CNC2CC[NH+](C3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000279047034 432929240 /nfs/dbraw/zinc/92/92/40/432929240.db2.gz DCMHREIVCMAODW-UHFFFAOYSA-N 1 0 324.472 3.369 10 0 DGAERO C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279838993 432995275 /nfs/dbraw/zinc/99/52/75/432995275.db2.gz ZRVMCSXXAIYBTK-TZMCWYRMSA-N 1 0 310.463 3.483 10 0 DGAERO CC(=O)c1cccc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000341259633 433007532 /nfs/dbraw/zinc/00/75/32/433007532.db2.gz CMVKPGLSWOYRKD-OKILXGFUSA-N 1 0 317.433 3.274 10 0 DGAERO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183579715 292705876 /nfs/dbraw/zinc/70/58/76/292705876.db2.gz JIFDIRASGRUAJN-HOTGVXAUSA-N 1 0 323.440 3.474 10 0 DGAERO O=C(Nc1ccc2cnccc2c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333249535 433043936 /nfs/dbraw/zinc/04/39/36/433043936.db2.gz CEKPYRLTEJPIIH-UHFFFAOYSA-N 1 0 324.428 3.232 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000333357402 433050563 /nfs/dbraw/zinc/05/05/63/433050563.db2.gz KNTPDFUYJDJWOK-KEYYUXOJSA-N 1 0 301.434 3.066 10 0 DGAERO C[NH+](C)CC1(CNC(=O)N2CCC[C@@H]2c2ccco2)CCCC1 ZINC000185191685 289088887 /nfs/dbraw/zinc/08/88/87/289088887.db2.gz JVNBRCIPVQWQAF-OAHLLOKOSA-N 1 0 319.449 3.248 10 0 DGAERO CCc1noc(C)c1NC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000155762442 292715847 /nfs/dbraw/zinc/71/58/47/292715847.db2.gz NPWLGAFUKBTDAW-RWMBFGLXSA-N 1 0 322.453 3.033 10 0 DGAERO C[NH+](C)C[C@H]1CN(C(=O)CC2CCC(C(C)(C)C)CC2)CCO1 ZINC000152214773 289214777 /nfs/dbraw/zinc/21/47/77/289214777.db2.gz USPOUXLFTKWFPH-JCYILVPMSA-N 1 0 324.509 3.018 10 0 DGAERO COCC[C@](C)(O)C[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000180554795 292723651 /nfs/dbraw/zinc/72/36/51/292723651.db2.gz UFPGTGGCKJSJLV-UXHICEINSA-N 1 0 313.441 3.462 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ns1 ZINC000373070972 433084185 /nfs/dbraw/zinc/08/41/85/433084185.db2.gz QRSQSDMZATXGLP-HNNXBMFYSA-N 1 0 321.490 3.180 10 0 DGAERO Cc1ccc(CN(C(=O)C[N@@H+]2CCCC23CCC3)C2CC2)o1 ZINC000373098570 433093014 /nfs/dbraw/zinc/09/30/14/433093014.db2.gz JWVNQDSHMVMLOG-UHFFFAOYSA-N 1 0 302.418 3.098 10 0 DGAERO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(OC)ccc1OC ZINC000447071249 433154200 /nfs/dbraw/zinc/15/42/00/433154200.db2.gz XEHANBHZQUQGQG-GOSISDBHSA-N 1 0 307.434 3.485 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C1CCC1 ZINC000453396099 433154858 /nfs/dbraw/zinc/15/48/58/433154858.db2.gz YAOCMBCGHWAVTA-CABCVRRESA-N 1 0 314.351 3.228 10 0 DGAERO c1cc2c(cc1C[N@H+]1CCC[C@@H](C[C@H]3CCOC3)C1)OCCO2 ZINC000373136278 433101508 /nfs/dbraw/zinc/10/15/08/433101508.db2.gz BQZLWEBISLSNHL-DOTOQJQBSA-N 1 0 317.429 3.096 10 0 DGAERO Cn1ccc([C@H]([NH2+]CCC[C@@H]2CCOC2)c2ccc(F)cc2)n1 ZINC000453357934 433116074 /nfs/dbraw/zinc/11/60/74/433116074.db2.gz JKAUKJBIFQNDIO-RDTXWAMCSA-N 1 0 317.408 3.055 10 0 DGAERO CC[C@H]([NH2+][C@@H](CC)c1ccc(Br)cc1)C(=O)NC ZINC000453418814 433170282 /nfs/dbraw/zinc/17/02/82/433170282.db2.gz VESSRTYWKWQQSX-STQMWFEESA-N 1 0 313.239 3.014 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000157628627 292749736 /nfs/dbraw/zinc/74/97/36/292749736.db2.gz AJNYETTXLSJBNM-MRXNPFEDSA-N 1 0 317.477 3.477 10 0 DGAERO CCSCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000336709268 433179286 /nfs/dbraw/zinc/17/92/86/433179286.db2.gz ODRYNCOUTDTVEY-UHFFFAOYSA-N 1 0 318.236 3.021 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000157664992 292750278 /nfs/dbraw/zinc/75/02/78/292750278.db2.gz OKRJSEFXZKKSLW-UHFFFAOYSA-N 1 0 321.440 3.089 10 0 DGAERO C[C@H](CCCC[NH3+])Nc1ncc(Br)cc1Cl ZINC000336680758 433179843 /nfs/dbraw/zinc/17/98/43/433179843.db2.gz XRIOHHOKCKOXNP-MRVPVSSYSA-N 1 0 306.635 3.427 10 0 DGAERO C[N@H+](CCc1ccc(F)c(F)c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361463800 433180202 /nfs/dbraw/zinc/18/02/02/433180202.db2.gz ATJANLHAVAVQPF-KRWDZBQOSA-N 1 0 318.367 3.056 10 0 DGAERO NC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000157875765 292754471 /nfs/dbraw/zinc/75/44/71/292754471.db2.gz VVTFBQPOCSVCAG-IBGZPJMESA-N 1 0 323.440 3.103 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](CC[C@@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443431 433231817 /nfs/dbraw/zinc/23/18/17/433231817.db2.gz OIUJFHYTLYJHDD-WMZOPIPTSA-N 1 0 317.477 3.358 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cn2)nc1 ZINC000425426145 433236204 /nfs/dbraw/zinc/23/62/04/433236204.db2.gz VJKIAQHTAGDNLZ-IAGOWNOFSA-N 1 0 309.413 3.002 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000354727632 433238974 /nfs/dbraw/zinc/23/89/74/433238974.db2.gz GMRIAZNEPMADOZ-SFHVURJKSA-N 1 0 311.429 3.468 10 0 DGAERO c1nc(NC[C@@H]2CC23CCSCC3)cc(N2CCCCC2)n1 ZINC000420657565 433244368 /nfs/dbraw/zinc/24/43/68/433244368.db2.gz XABDFBASEMYPSY-AWEZNQCLSA-N 1 0 318.490 3.412 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412561399 433245112 /nfs/dbraw/zinc/24/51/12/433245112.db2.gz SXSQGGLEJWSHLX-UHFFFAOYSA-N 1 0 308.397 3.221 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)cn2)nc1 ZINC000425442914 433245965 /nfs/dbraw/zinc/24/59/65/433245965.db2.gz KLKNSGCZVFLZCW-LJQANCHMSA-N 1 0 309.413 3.146 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(CCOC4)C3)cn2)nc1 ZINC000425469892 433256163 /nfs/dbraw/zinc/25/61/63/433256163.db2.gz FDEDHHRQNYJALQ-IBGZPJMESA-N 1 0 309.413 3.146 10 0 DGAERO O[C@@H]1[C@@H](C[NH2+]Cc2sccc2Cl)CCC12CCOCC2 ZINC000374684694 433256918 /nfs/dbraw/zinc/25/69/18/433256918.db2.gz BBFVJXWHDNIJDK-BXUZGUMPSA-N 1 0 315.866 3.059 10 0 DGAERO CC(=O)c1ccc(OC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c(C)c1 ZINC000291525482 433261508 /nfs/dbraw/zinc/26/15/08/433261508.db2.gz QIAOFUGLNBEFPI-GOSISDBHSA-N 1 0 321.392 3.316 10 0 DGAERO CCC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccn1 ZINC000374751837 433273262 /nfs/dbraw/zinc/27/32/62/433273262.db2.gz OFVFHOFAKDOSRZ-XYJFISCASA-N 1 0 318.461 3.080 10 0 DGAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420965428 433354708 /nfs/dbraw/zinc/35/47/08/433354708.db2.gz SDNCMGDZSSPRMD-RBUKOAKNSA-N 1 0 303.446 3.076 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000361727744 433361680 /nfs/dbraw/zinc/36/16/80/433361680.db2.gz NNZIZCFHPVFLEW-DOTOQJQBSA-N 1 0 318.461 3.046 10 0 DGAERO c1[nH+]cn2ccc(-c3noc([C@@H]4OCCc5ccccc54)n3)cc12 ZINC000351076249 433365363 /nfs/dbraw/zinc/36/53/63/433365363.db2.gz LIZLPKDOEOYYJG-MRXNPFEDSA-N 1 0 318.336 3.046 10 0 DGAERO c1cc(C[NH2+]CC2Cc3ccccc3C2)n(-c2ccccc2)n1 ZINC000447943632 433327499 /nfs/dbraw/zinc/32/74/99/433327499.db2.gz KMCWAYHKWYWNOC-UHFFFAOYSA-N 1 0 303.409 3.377 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H]1COCCO1 ZINC000342043249 433429002 /nfs/dbraw/zinc/42/90/02/433429002.db2.gz KGOWEHNJVHRLIK-CUXKMMBLSA-N 1 0 315.335 3.114 10 0 DGAERO c1cc(CN2CCC[N@@H+](C3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000448333508 433386817 /nfs/dbraw/zinc/38/68/17/433386817.db2.gz CHTJQTOUNMAZBG-UHFFFAOYSA-N 1 0 324.472 3.323 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000291911277 433389019 /nfs/dbraw/zinc/38/90/19/433389019.db2.gz KBQNOBSXZCEHSO-QUCCMNQESA-N 1 0 318.424 3.047 10 0 DGAERO c1ccc([C@@H]2C[C@@H]2[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000375229422 433390907 /nfs/dbraw/zinc/39/09/07/433390907.db2.gz NJJBTUNAJKFCDL-ROUUACIJSA-N 1 0 318.424 3.465 10 0 DGAERO CN1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000300410691 433392953 /nfs/dbraw/zinc/39/29/53/433392953.db2.gz JNYUZBMMZQCBLM-ZFWWWQNUSA-N 1 0 309.251 3.120 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cn[nH]c1 ZINC000300395828 433394397 /nfs/dbraw/zinc/39/43/97/433394397.db2.gz LCEYWUGCANZGBB-IHRRRGAJSA-N 1 0 322.453 3.096 10 0 DGAERO c1ccc2c(c1)CC[N@@H+](CCCNc1ncnc3ccccc31)C2 ZINC000301088958 433409057 /nfs/dbraw/zinc/40/90/57/433409057.db2.gz LXPRTWKYJFHSDX-UHFFFAOYSA-N 1 0 318.424 3.490 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)n1 ZINC000361922319 433454084 /nfs/dbraw/zinc/45/40/84/433454084.db2.gz HUKKNLTUJAWSDY-ZDUSSCGKSA-N 1 0 317.408 3.189 10 0 DGAERO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375414666 433458583 /nfs/dbraw/zinc/45/85/83/433458583.db2.gz MQWUQXKFYILZIN-AWEZNQCLSA-N 1 0 301.365 3.384 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000069135752 290008357 /nfs/dbraw/zinc/00/83/57/290008357.db2.gz WAGXPYOOXYFSDB-XJKSGUPXSA-N 1 0 309.475 3.212 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496341270 290010462 /nfs/dbraw/zinc/01/04/62/290010462.db2.gz IAPSJMOEWPMCPB-XFIYOXNOSA-N 1 0 308.466 3.410 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1cnn(C)c1 ZINC000090916523 290016199 /nfs/dbraw/zinc/01/61/99/290016199.db2.gz LTIXGINTCXFIPX-JCURWCKSSA-N 1 0 318.852 3.170 10 0 DGAERO Cc1cc(N[C@@H]2CCOc3ccc(Br)cc32)ncn1 ZINC000301227849 433460186 /nfs/dbraw/zinc/46/01/86/433460186.db2.gz FWGOOYOZTRTLDQ-GFCCVEGCSA-N 1 0 320.190 3.483 10 0 DGAERO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249055495 290224257 /nfs/dbraw/zinc/22/42/57/290224257.db2.gz XLJHPRWCBDOVAD-DOMZBBRYSA-N 1 0 315.335 3.258 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000361973076 433474229 /nfs/dbraw/zinc/47/42/29/433474229.db2.gz VJBCINGIFFNIOD-TVQRCGJNSA-N 1 0 301.217 3.265 10 0 DGAERO Clc1cccc(-c2noc(N3CC[N@@H+]4CCCC[C@H]4C3)n2)c1 ZINC000301266180 433475827 /nfs/dbraw/zinc/47/58/27/433475827.db2.gz WGFUKPQNXQQHFW-AWEZNQCLSA-N 1 0 318.808 3.065 10 0 DGAERO CN1C[C@@H]([NH2+][C@H](c2ccccc2F)C2CCCC2)CCC1=O ZINC000091344141 290278642 /nfs/dbraw/zinc/27/86/42/290278642.db2.gz RNVGMZOHZGAQFM-KSSFIOAISA-N 1 0 304.409 3.267 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355190700 433520493 /nfs/dbraw/zinc/52/04/93/433520493.db2.gz AVLQWSYPMDTWGV-IAGOWNOFSA-N 1 0 311.429 3.325 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)C[S@@](C)=O ZINC000342141290 433497024 /nfs/dbraw/zinc/49/70/24/433497024.db2.gz OWWCHFAIYUIUKX-QQCCPHNISA-N 1 0 319.392 3.465 10 0 DGAERO CN(c1ncccn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000301318497 433505349 /nfs/dbraw/zinc/50/53/49/433505349.db2.gz CNMMBRLWPBUALH-JWTNVVGKSA-N 1 0 308.429 3.108 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]CC1(c3ccccc3)CCOCC1)CCC2 ZINC000375863209 433596912 /nfs/dbraw/zinc/59/69/12/433596912.db2.gz WAICTVAOVNWMJL-QGZVFWFLSA-N 1 0 311.429 3.125 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc(=O)[nH]n1 ZINC000375895421 433605531 /nfs/dbraw/zinc/60/55/31/433605531.db2.gz MJXWZWQFWCIWPI-JKOKRWQUSA-N 1 0 303.793 3.432 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCC23CCC3)c1 ZINC000375946722 433624832 /nfs/dbraw/zinc/62/48/32/433624832.db2.gz KEZGKYNNQFYABM-UHFFFAOYSA-N 1 0 315.461 3.366 10 0 DGAERO Cc1cc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000376068044 433656542 /nfs/dbraw/zinc/65/65/42/433656542.db2.gz OEGRVAJTFVUQLM-AEFFLSMTSA-N 1 0 313.445 3.026 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCS2)[C@H]1c1cccs1 ZINC000362352322 433657934 /nfs/dbraw/zinc/65/79/34/433657934.db2.gz HTLRAMWNLZBSOZ-SNPRPXQTSA-N 1 0 324.515 3.143 10 0 DGAERO CCCc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC000301658060 433663088 /nfs/dbraw/zinc/66/30/88/433663088.db2.gz ISZCWHQVGVWEDI-UHFFFAOYSA-N 1 0 316.474 3.203 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000366493257 292954981 /nfs/dbraw/zinc/95/49/81/292954981.db2.gz VVFNEQNARLADAX-SJLPKXTDSA-N 1 0 316.445 3.057 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000342414461 433673368 /nfs/dbraw/zinc/67/33/68/433673368.db2.gz HFMYCSBPKYRQSA-CYBMUJFWSA-N 1 0 323.421 3.471 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000342414472 433673929 /nfs/dbraw/zinc/67/39/29/433673929.db2.gz HFMYCSBPKYRQSA-ZDUSSCGKSA-N 1 0 323.421 3.471 10 0 DGAERO O=C(c1cc(O)c2ccccc2c1)N1CCC[C@H]1c1ncc[nH]1 ZINC000376137035 433675398 /nfs/dbraw/zinc/67/53/98/433675398.db2.gz XLJJKHCHLRKDLD-HNNXBMFYSA-N 1 0 307.353 3.246 10 0 DGAERO Fc1cnccc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000449023623 433676209 /nfs/dbraw/zinc/67/62/09/433676209.db2.gz SNHXUIASEZVNHL-MRXNPFEDSA-N 1 0 305.441 3.309 10 0 DGAERO CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C(C)(C)O1 ZINC000366679000 292976439 /nfs/dbraw/zinc/97/64/39/292976439.db2.gz PRHLJMJLINCEFH-PMPSAXMXSA-N 1 0 322.493 3.103 10 0 DGAERO Cc1cccc2c(N3CCO[C@@](C)(c4cnn(C)c4)C3)cc[nH+]c12 ZINC000301698840 433682313 /nfs/dbraw/zinc/68/23/13/433682313.db2.gz DJIVDDOOLDUOAB-LJQANCHMSA-N 1 0 322.412 3.029 10 0 DGAERO CS(=O)(=O)c1cccc(C[N@@H+]2CCCC23CCCCC3)c1 ZINC000449029405 433685534 /nfs/dbraw/zinc/68/55/34/433685534.db2.gz OOACXMHPRWICIB-UHFFFAOYSA-N 1 0 307.459 3.389 10 0 DGAERO c1[nH]c2ccccc2c1C[C@H]1COCC[N@H+]1C[C@@H]1CCSC1 ZINC000367031241 293014598 /nfs/dbraw/zinc/01/45/98/293014598.db2.gz TWZAIVSCNRZDRB-HOCLYGCPSA-N 1 0 316.470 3.164 10 0 DGAERO COc1ccc(CCC[NH2+][C@H]2CCC23CCOCC3)cc1OC ZINC000367049127 293016063 /nfs/dbraw/zinc/01/60/63/293016063.db2.gz CEHDIYCQZITZQD-SFHVURJKSA-N 1 0 319.445 3.185 10 0 DGAERO c1cc2c(cc1C[N@@H+]1CCC[C@H]3COCC[C@@H]31)OCCCCO2 ZINC000449049847 433706627 /nfs/dbraw/zinc/70/66/27/433706627.db2.gz SJMGSWDVAIORPK-IRXDYDNUSA-N 1 0 317.429 3.239 10 0 DGAERO CC(C)([NH3+])C(=O)N1CCC[C@]2(C1)CCCCc1ccccc12 ZINC000371252381 293205364 /nfs/dbraw/zinc/20/53/64/293205364.db2.gz BXMHLZDZUMIVRA-IBGZPJMESA-N 1 0 300.446 3.011 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](C)CCN2CC(=O)NCc2ccco2)o1 ZINC000362433722 433709960 /nfs/dbraw/zinc/70/99/60/433709960.db2.gz HPDPQRGKVDLLAJ-BBRMVZONSA-N 1 0 316.401 3.270 10 0 DGAERO Cc1nccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000373643793 293301202 /nfs/dbraw/zinc/30/12/02/293301202.db2.gz JMGJCZBBWWHCIU-CQSZACIVSA-N 1 0 308.385 3.306 10 0 DGAERO c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000373708062 293308132 /nfs/dbraw/zinc/30/81/32/293308132.db2.gz NGAAAKMWJBAJCH-KZNAEPCWSA-N 1 0 315.461 3.081 10 0 DGAERO OC[C@@H]1CCCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000374049879 293346928 /nfs/dbraw/zinc/34/69/28/293346928.db2.gz KDCQJQBHHZXTOG-GFCCVEGCSA-N 1 0 308.472 3.466 10 0 DGAERO c1[nH]c2ccccc2c1C[C@@H]1COCC[N@H+]1CCc1cccnc1 ZINC000374147291 293358418 /nfs/dbraw/zinc/35/84/18/293358418.db2.gz HVMRMLWWIPAASO-GOSISDBHSA-N 1 0 321.424 3.049 10 0 DGAERO Clc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1Cl ZINC000374290009 293378147 /nfs/dbraw/zinc/37/81/47/293378147.db2.gz XTLBPUJNIGSUIG-DOMZBBRYSA-N 1 0 316.228 3.421 10 0 DGAERO c1c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)nc2ccccn12 ZINC000374472674 293404844 /nfs/dbraw/zinc/40/48/44/293404844.db2.gz QXJYFFSWRLLNIE-LPHOPBHVSA-N 1 0 307.397 3.202 10 0 DGAERO c1ccc([C@@H]([NH2+]Cc2cccc3c2OCO3)[C@@H]2CCOC2)cc1 ZINC000374486435 293407337 /nfs/dbraw/zinc/40/73/37/293407337.db2.gz HDOASKPMHUFMKD-SJLPKXTDSA-N 1 0 311.381 3.283 10 0 DGAERO C[C@@H](C[NH2+]CCCC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000449171310 433727830 /nfs/dbraw/zinc/72/78/30/433727830.db2.gz SXPGSIFGJSCQND-NSHDSACASA-N 1 0 323.380 3.126 10 0 DGAERO CC(=O)c1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000293404314 433730853 /nfs/dbraw/zinc/73/08/53/433730853.db2.gz MSJACKZGWYNEEZ-OAHLLOKOSA-N 1 0 320.458 3.041 10 0 DGAERO CCC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccccn1 ZINC000374751834 293443531 /nfs/dbraw/zinc/44/35/31/293443531.db2.gz OFVFHOFAKDOSRZ-BQFCYCMXSA-N 1 0 318.461 3.080 10 0 DGAERO CC(C)c1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc(C(C)C)n1 ZINC000301840325 433755140 /nfs/dbraw/zinc/75/51/40/433755140.db2.gz AMIRJYLLARZMCW-OAHLLOKOSA-N 1 0 302.466 3.398 10 0 DGAERO c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCOC3)C1)OCCCCO2 ZINC000449684071 433762546 /nfs/dbraw/zinc/76/25/46/433762546.db2.gz QKNSENRUZPMLNC-IBGZPJMESA-N 1 0 317.429 3.241 10 0 DGAERO Cc1cc2c(ncnc2N2CC[NH+](CCC(C)C)CC2)s1 ZINC000301864608 433767991 /nfs/dbraw/zinc/76/79/91/433767991.db2.gz GRTHTXDTICJHEN-UHFFFAOYSA-N 1 0 304.463 3.168 10 0 DGAERO CCCc1cc(NCCn2cnnc2CC)c2ccccc2[nH+]1 ZINC000301791284 433724184 /nfs/dbraw/zinc/72/41/84/433724184.db2.gz NQMUOCDDGBYBMO-UHFFFAOYSA-N 1 0 309.417 3.453 10 0 DGAERO C[C@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000362449556 433724254 /nfs/dbraw/zinc/72/42/54/433724254.db2.gz PAYSRFCVBOCWEY-OWCLPIDISA-N 1 0 304.434 3.454 10 0 DGAERO CC(=O)CCCC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456689429 433777584 /nfs/dbraw/zinc/77/75/84/433777584.db2.gz HUAGMLLTWRVEHB-UHFFFAOYSA-N 1 0 310.482 3.105 10 0 DGAERO c1ccc2c(c1)C[C@@H]1C[N@H+](CC[C@@H]3CCCCO3)CCCN21 ZINC000351993315 433843128 /nfs/dbraw/zinc/84/31/28/433843128.db2.gz IDIXXPPSGFIGOS-MSOLQXFVSA-N 1 0 300.446 3.083 10 0 DGAERO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@](C)(O)C2CCCCC2)C1 ZINC000376086891 293611482 /nfs/dbraw/zinc/61/14/82/293611482.db2.gz WELPWFAPIHEUHT-SZVBFZGTSA-N 1 0 319.493 3.367 10 0 DGAERO CC1(C)COCCN1CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436240390 433909591 /nfs/dbraw/zinc/90/95/91/433909591.db2.gz QRLMRYFLJNRQKH-ROUUACIJSA-N 1 0 302.462 3.023 10 0 DGAERO O=C1[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)CCN1c1ccccc1 ZINC000362927708 433911778 /nfs/dbraw/zinc/91/17/78/433911778.db2.gz KSRCOOGYWUIQRI-QGZVFWFLSA-N 1 0 323.371 3.202 10 0 DGAERO Cc1c[nH]cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000357217852 433912290 /nfs/dbraw/zinc/91/22/90/433912290.db2.gz GYHAOYXLABTOEH-XJKSGUPXSA-N 1 0 317.458 3.198 10 0 DGAERO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449996465 433915872 /nfs/dbraw/zinc/91/58/72/433915872.db2.gz APXWRWIYIUCUBF-RCCFBDPRSA-N 1 0 300.446 3.013 10 0 DGAERO c1cc(-c2nc(CN3CCC4(CC[NH2+]4)CC3)cs2)cs1 ZINC000422565169 433922304 /nfs/dbraw/zinc/92/23/04/433922304.db2.gz XWCCTTYGLMPVBG-UHFFFAOYSA-N 1 0 305.472 3.200 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000362953858 433925459 /nfs/dbraw/zinc/92/54/59/433925459.db2.gz CTLVVYPNJLJZAV-IAGOWNOFSA-N 1 0 307.459 3.052 10 0 DGAERO C[C@@H]1CN(CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000436278901 433926652 /nfs/dbraw/zinc/92/66/52/433926652.db2.gz GTCIULZDAZYPKO-PIKOESSRSA-N 1 0 316.489 3.412 10 0 DGAERO C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 ZINC000377751681 433981963 /nfs/dbraw/zinc/98/19/63/433981963.db2.gz XGMRYUQTQFOWJE-VYCZESIESA-N 1 0 322.493 3.151 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)sc2Cl)CC[N@@H+]1C ZINC000357425785 434013609 /nfs/dbraw/zinc/01/36/09/434013609.db2.gz YHRQSXGCMJPCRY-HTQZYQBOSA-N 1 0 307.246 3.267 10 0 DGAERO Cc1cc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000294178561 434028544 /nfs/dbraw/zinc/02/85/44/434028544.db2.gz JXCANFNOUIJWTA-GFCCVEGCSA-N 1 0 309.456 3.311 10 0 DGAERO C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400430719 293864358 /nfs/dbraw/zinc/86/43/58/293864358.db2.gz JWBLDMHYJPMHBA-YPMHNXCESA-N 1 0 318.408 3.267 10 0 DGAERO Fc1ccc(Br)c(CN[C@@H]2CCn3ccnc32)c1 ZINC000294297002 434077418 /nfs/dbraw/zinc/07/74/18/434077418.db2.gz ZOAMRYYXASSGQF-GFCCVEGCSA-N 1 0 310.170 3.019 10 0 DGAERO CC(C)[NH2+]Cc1ccc(I)cc1Cl ZINC000306290507 434084144 /nfs/dbraw/zinc/08/41/44/434084144.db2.gz QLHBZRPQLXXTFD-UHFFFAOYSA-N 1 0 309.578 3.443 10 0 DGAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000309541750 434094793 /nfs/dbraw/zinc/09/47/93/434094793.db2.gz MEMIBJOEJHAMSJ-WBVHZDCISA-N 1 0 300.446 3.203 10 0 DGAERO Cc1cccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309728719 434095199 /nfs/dbraw/zinc/09/51/99/434095199.db2.gz QUYAVQHXEYLCSU-HKUYNNGSSA-N 1 0 309.457 3.390 10 0 DGAERO CCn1nncc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000459385727 293969818 /nfs/dbraw/zinc/96/98/18/293969818.db2.gz ADAYSENONFFUIS-QGZVFWFLSA-N 1 0 302.397 3.458 10 0 DGAERO CC(C)[N@@H+](Cc1ccc(F)cc1Br)C[C@@H](C)O ZINC000353401889 434107646 /nfs/dbraw/zinc/10/76/46/434107646.db2.gz IWJAWBCMCLFICY-SNVBAGLBSA-N 1 0 304.203 3.179 10 0 DGAERO CC[N@@H+]1C[C@H](C)N(C(=O)CC/C=C\c2ccccc2)C[C@H]1C ZINC000498566478 294064203 /nfs/dbraw/zinc/06/42/03/294064203.db2.gz GGBKHZMYJSTBAW-QMCCBHLPSA-N 1 0 300.446 3.421 10 0 DGAERO CCOc1cccc(CC[NH2+][C@H](CC)C2(C(=O)OC)CCC2)c1 ZINC000498799809 294070908 /nfs/dbraw/zinc/07/09/08/294070908.db2.gz JSTDEEOOVOXSLH-QGZVFWFLSA-N 1 0 319.445 3.339 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000501474788 294141439 /nfs/dbraw/zinc/14/14/39/294141439.db2.gz IPGQVMGFWJMOCC-PZSQYBTKSA-N 1 0 322.452 3.379 10 0 DGAERO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000457368182 434126681 /nfs/dbraw/zinc/12/66/81/434126681.db2.gz GBOPIAOGXFYYEE-ZBFHGGJFSA-N 1 0 316.351 3.474 10 0 DGAERO CO[C@H](C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309752565 294236515 /nfs/dbraw/zinc/23/65/15/294236515.db2.gz AEJPJSDYAXRKSD-KFWWJZLASA-N 1 0 314.470 3.037 10 0 DGAERO CN1Cc2ccccc2[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000378284778 434129432 /nfs/dbraw/zinc/12/94/32/434129432.db2.gz FVDBLKNXOKKVLE-OAHLLOKOSA-N 1 0 308.372 3.115 10 0 DGAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509963150 294370161 /nfs/dbraw/zinc/37/01/61/294370161.db2.gz HJJRPMVUFFQKGP-SJLPKXTDSA-N 1 0 302.462 3.244 10 0 DGAERO COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CCC3)C2)c1 ZINC000510660448 294389172 /nfs/dbraw/zinc/38/91/72/294389172.db2.gz YSACQPOMWRZQEF-KFKAGJAMSA-N 1 0 300.446 3.442 10 0 DGAERO COc1cc(OC)c(CC[NH2+][C@H]2CC[C@H]2C2CCC2)c(OC)c1 ZINC000510671546 294389501 /nfs/dbraw/zinc/38/95/01/294389501.db2.gz QCIWSWPFUFLGDY-RDJZCZTQSA-N 1 0 319.445 3.423 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c(N2CCOCC2)c1 ZINC000510723742 294390668 /nfs/dbraw/zinc/39/06/68/294390668.db2.gz SRHGJENFWDDLRK-OALUTQOASA-N 1 0 314.473 3.500 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c(N2CCOCC2)c1 ZINC000510723744 294390688 /nfs/dbraw/zinc/39/06/88/294390688.db2.gz SRHGJENFWDDLRK-RBUKOAKNSA-N 1 0 314.473 3.500 10 0 DGAERO Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248849091 294393919 /nfs/dbraw/zinc/39/39/19/294393919.db2.gz NWINFUSCWLULMQ-GDBMZVCRSA-N 1 0 302.418 3.038 10 0 DGAERO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510930089 294396710 /nfs/dbraw/zinc/39/67/10/294396710.db2.gz FUOBHORYDFJLHI-CXAGYDPISA-N 1 0 322.424 3.074 10 0 DGAERO C[N@H+](CCOc1nc(C(C)(C)C)no1)Cc1ccc(F)cc1 ZINC000357730739 434152805 /nfs/dbraw/zinc/15/28/05/434152805.db2.gz OAVWTKJGUBKZNS-UHFFFAOYSA-N 1 0 307.369 3.017 10 0 DGAERO Cc1ccnc(C2CC[NH+](Cc3cnc4c(C)cccn34)CC2)n1 ZINC000363874813 434171699 /nfs/dbraw/zinc/17/16/99/434171699.db2.gz JJHSKTHMCYAEIQ-UHFFFAOYSA-N 1 0 321.428 3.121 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000363931618 434188717 /nfs/dbraw/zinc/18/87/17/434188717.db2.gz OKVNFAVGVDIVOB-SQNIBIBYSA-N 1 0 313.445 3.424 10 0 DGAERO C(=C\c1ccccc1)\CC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000450448456 434189327 /nfs/dbraw/zinc/18/93/27/434189327.db2.gz CHBBHMPMYDCBJI-YMUVJOOCSA-N 1 0 314.473 3.277 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3N[C@H]1CCC[NH2+]C1)CCCC2 ZINC000423192892 434276148 /nfs/dbraw/zinc/27/61/48/434276148.db2.gz QCJCKZDDZJAQND-FUHWJXTLSA-N 1 0 300.446 3.121 10 0 DGAERO CC(C)n1cncc1CNCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379634484 434257641 /nfs/dbraw/zinc/25/76/41/434257641.db2.gz PROWESIAKVIMKF-QGZVFWFLSA-N 1 0 314.477 3.464 10 0 DGAERO CC(C)n1cncc1CNCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379634483 434260088 /nfs/dbraw/zinc/26/00/88/434260088.db2.gz PROWESIAKVIMKF-KRWDZBQOSA-N 1 0 314.477 3.464 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000379633259 434260863 /nfs/dbraw/zinc/26/08/63/434260863.db2.gz TYYOTWRWKZFYAQ-IBGZPJMESA-N 1 0 318.505 3.428 10 0 DGAERO Brc1ccc([C@@H]([NH2+]CCc2cn[nH]c2)C2CC2)cc1 ZINC000353610440 434268357 /nfs/dbraw/zinc/26/83/57/434268357.db2.gz MOXPAIUJQFYITR-HNNXBMFYSA-N 1 0 320.234 3.456 10 0 DGAERO c1ccc([C@@H]2CC[C@H]([NH2+]CCCNCc3cccnc3)C2)cc1 ZINC000423188582 434271675 /nfs/dbraw/zinc/27/16/75/434271675.db2.gz OEHWEROYOHHTFG-UXHICEINSA-N 1 0 309.457 3.487 10 0 DGAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cn1 ZINC000328642989 434290768 /nfs/dbraw/zinc/29/07/68/434290768.db2.gz RGGPBVPAZGTQHJ-IIVZCXTMSA-N 1 0 316.449 3.139 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384242112 434290800 /nfs/dbraw/zinc/29/08/00/434290800.db2.gz JJSRDBMQGBGQKT-JQWIXIFHSA-N 1 0 311.223 3.084 10 0 DGAERO FC(F)(F)c1cn2c(n1)CC[C@@H](C[NH2+]Cc1cccs1)C2 ZINC000328642167 434291547 /nfs/dbraw/zinc/29/15/47/434291547.db2.gz QXFHCKAHODCLBG-JTQLQIEISA-N 1 0 315.364 3.316 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@@H](C)O1 ZINC000384964227 434294119 /nfs/dbraw/zinc/29/41/19/434294119.db2.gz XCSAPBBYNJTKDH-KKFJDGPESA-N 1 0 302.187 3.244 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@H](C)O1 ZINC000384659952 434295211 /nfs/dbraw/zinc/29/52/11/434295211.db2.gz VUVHAUTVRXBHSY-VYUIOLGVSA-N 1 0 302.187 3.244 10 0 DGAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cn1 ZINC000328655770 434296807 /nfs/dbraw/zinc/29/68/07/434296807.db2.gz YQYYZUCOZFBALW-LAVFITLUSA-N 1 0 303.450 3.199 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1N ZINC000386265021 434306285 /nfs/dbraw/zinc/30/62/85/434306285.db2.gz LDSHTASAGMVSML-NOZJJQNGSA-N 1 0 303.233 3.168 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1F ZINC000386210568 434306747 /nfs/dbraw/zinc/30/67/47/434306747.db2.gz DIEIBADSJOVHHZ-HZMBPMFUSA-N 1 0 316.214 3.181 10 0 DGAERO Cc1occc1C(=O)NC1CC[NH+](Cc2ccsc2C)CC1 ZINC000295341073 434315688 /nfs/dbraw/zinc/31/56/88/434315688.db2.gz MRQVAKKCVQVCKY-UHFFFAOYSA-N 1 0 318.442 3.352 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1 ZINC000366093872 434330757 /nfs/dbraw/zinc/33/07/57/434330757.db2.gz IBJKUHWXOLWWSB-KRWDZBQOSA-N 1 0 315.417 3.083 10 0 DGAERO c1ccc2c(c1)CCC([NH2+]CCCNCc1cccnc1)CC2 ZINC000423192712 434277419 /nfs/dbraw/zinc/27/74/19/434277419.db2.gz VVMKCRTYBLSTGS-UHFFFAOYSA-N 1 0 309.457 3.099 10 0 DGAERO COc1cc(C[NH2+]CCN2CC=C(C)CC2)ccc1SC ZINC000358174170 434364681 /nfs/dbraw/zinc/36/46/81/434364681.db2.gz XOCYEUIZPJUSPG-UHFFFAOYSA-N 1 0 306.475 3.159 10 0 DGAERO CC(C)n1cncc1C[NH2+]C[C@@H](C)N(C)Cc1ccccc1 ZINC000390676217 434365753 /nfs/dbraw/zinc/36/57/53/434365753.db2.gz VLLYRKSKMQANCW-MRXNPFEDSA-N 1 0 300.450 3.074 10 0 DGAERO FC(F)(F)Oc1ccccc1C[NH2+]CCOCC1CCC1 ZINC000517865489 294694708 /nfs/dbraw/zinc/69/47/08/294694708.db2.gz SFZQOTAVCLCVHT-UHFFFAOYSA-N 1 0 303.324 3.492 10 0 DGAERO CC(C)C[C@H](C)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000358185218 434373936 /nfs/dbraw/zinc/37/39/36/434373936.db2.gz GRKXWMVYUSOBLF-RANZSIQMSA-N 1 0 300.446 3.168 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110497 434335196 /nfs/dbraw/zinc/33/51/96/434335196.db2.gz KHFLDOCTKIMXIS-HOTGVXAUSA-N 1 0 322.493 3.151 10 0 DGAERO CCN1CC[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000389177464 434347195 /nfs/dbraw/zinc/34/71/95/434347195.db2.gz PJNVHHGITFHXNN-OGVSOVDVSA-N 1 0 323.278 3.379 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437839798 434347318 /nfs/dbraw/zinc/34/73/18/434347318.db2.gz NCHBJCOCJBPONV-KRWDZBQOSA-N 1 0 322.493 3.295 10 0 DGAERO CCN1CC[C@H]([NH2+][C@H](C)c2sccc2Br)C1 ZINC000389167645 434347629 /nfs/dbraw/zinc/34/76/29/434347629.db2.gz MXTROQOJVPOFIF-ZJUUUORDSA-N 1 0 303.269 3.255 10 0 DGAERO CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CO1 ZINC000397951846 434445016 /nfs/dbraw/zinc/44/50/16/434445016.db2.gz PQHJMUBEPODQEK-PKOBYXMFSA-N 1 0 302.462 3.198 10 0 DGAERO CC[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000397918711 434446300 /nfs/dbraw/zinc/44/63/00/434446300.db2.gz MFPCIMWNIYBGGV-SLFFLAALSA-N 1 0 316.489 3.446 10 0 DGAERO CO[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000394967218 434409417 /nfs/dbraw/zinc/40/94/17/434409417.db2.gz MCLXXPLGCRXFHM-QWRGUYRKSA-N 1 0 302.187 3.245 10 0 DGAERO CN1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@@H]1c1cccs1 ZINC000438200767 434437958 /nfs/dbraw/zinc/43/79/58/434437958.db2.gz NXFPPXQLKXTOKQ-BFYDXBDKSA-N 1 0 308.491 3.147 10 0 DGAERO CN1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@H]1c1cccs1 ZINC000438200770 434438345 /nfs/dbraw/zinc/43/83/45/434438345.db2.gz NXFPPXQLKXTOKQ-UXLLHSPISA-N 1 0 308.491 3.147 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000397629187 434441844 /nfs/dbraw/zinc/44/18/44/434441844.db2.gz NPIXZLVSGUQNKY-WDSOQIARSA-N 1 0 316.489 3.302 10 0 DGAERO CN(C)C1(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCC1 ZINC000438340116 434458588 /nfs/dbraw/zinc/45/85/88/434458588.db2.gz POWDRCZWGKDDSP-UHFFFAOYSA-N 1 0 318.461 3.216 10 0 DGAERO c1cn(-c2ccccc2)nc1CN1CCC[C@@H](c2ccncn2)C1 ZINC000359974957 434458991 /nfs/dbraw/zinc/45/89/91/434458991.db2.gz BPVOQYIVKWDXSF-MRXNPFEDSA-N 1 0 319.412 3.042 10 0 DGAERO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000450908447 434477359 /nfs/dbraw/zinc/47/73/59/434477359.db2.gz RTOFGZURHKIFAH-ATZDWAIDSA-N 1 0 313.445 3.112 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC(C)C)c(C)c2)C1 ZINC000438448272 434482061 /nfs/dbraw/zinc/48/20/61/434482061.db2.gz PXYGBMZPJRXFHK-HNNXBMFYSA-N 1 0 319.449 3.246 10 0 DGAERO CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C(C)(C)O1 ZINC000366678999 434485451 /nfs/dbraw/zinc/48/54/51/434485451.db2.gz PRHLJMJLINCEFH-OWCLPIDISA-N 1 0 322.493 3.103 10 0 DGAERO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400430715 434485725 /nfs/dbraw/zinc/48/57/25/434485725.db2.gz JWBLDMHYJPMHBA-WCQYABFASA-N 1 0 318.408 3.267 10 0 DGAERO CC[C@](C)(C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)OC ZINC000400432592 434486463 /nfs/dbraw/zinc/48/64/63/434486463.db2.gz LOVSNJUVPYFBCT-GRDNDAEWSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000438480734 434488973 /nfs/dbraw/zinc/48/89/73/434488973.db2.gz WBWFCQBNDFBRAZ-AWEZNQCLSA-N 1 0 312.339 3.334 10 0 DGAERO COc1ccc(C[N@H+](CC[C@H](C)O)[C@@H](C)C2CC2)c(OC)c1 ZINC000450932797 434489617 /nfs/dbraw/zinc/48/96/17/434489617.db2.gz CQAFCFSLVXDZPN-KBPBESRZSA-N 1 0 307.434 3.075 10 0 DGAERO CCC[N@H+](Cc1cnns1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000450931955 434490248 /nfs/dbraw/zinc/49/02/48/434490248.db2.gz ZCWNHGOCBJHAQB-CYBMUJFWSA-N 1 0 318.446 3.167 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(C)C)C2)c1 ZINC000438493075 434494592 /nfs/dbraw/zinc/49/45/92/434494592.db2.gz QBZXZWZGMHNCOA-CJNGLKHVSA-N 1 0 302.418 3.194 10 0 DGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403239613 434504679 /nfs/dbraw/zinc/50/46/79/434504679.db2.gz QWKNTBGQGPEKJP-SDDRHHMPSA-N 1 0 313.850 3.022 10 0 DGAERO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(F)c(Cl)cc1Cl ZINC000404194276 434507516 /nfs/dbraw/zinc/50/75/16/434507516.db2.gz OOHSLPZRTIYZIW-XPTSAGLGSA-N 1 0 322.207 3.325 10 0 DGAERO c1c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]3CCC[C@@H]32)nnn1CC1CC1 ZINC000450979117 434514179 /nfs/dbraw/zinc/51/41/79/434514179.db2.gz HMGWGXYQIGDNBB-AABGKKOBSA-N 1 0 322.456 3.456 10 0 DGAERO Clc1ccc(Cl)c(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000404614669 434515024 /nfs/dbraw/zinc/51/50/24/434515024.db2.gz JFABJXNIDHNDSB-SNVBAGLBSA-N 1 0 311.216 3.100 10 0 DGAERO c1ccc(COc2cccc(CN(C3CC3)C3COC3)c2)nc1 ZINC000296138560 434523082 /nfs/dbraw/zinc/52/30/82/434523082.db2.gz VBGHYULMLFUXEX-UHFFFAOYSA-N 1 0 310.397 3.024 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1Br ZINC000407252998 434529097 /nfs/dbraw/zinc/52/90/97/434529097.db2.gz GJECDHMBFPNZQN-KGLIPLIRSA-N 1 0 323.234 3.227 10 0 DGAERO Cc1cc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)ccc1Br ZINC000407330378 434529243 /nfs/dbraw/zinc/52/92/43/434529243.db2.gz SDQFLERIHIJBNA-KGLIPLIRSA-N 1 0 323.234 3.227 10 0 DGAERO CC(=O)Nc1cccc2c1CCN(Cc1ncc(C3CC3)o1)C2 ZINC000366879209 434529698 /nfs/dbraw/zinc/52/96/98/434529698.db2.gz FOTUWBZJPSHVAC-UHFFFAOYSA-N 1 0 311.385 3.069 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000438828603 434531766 /nfs/dbraw/zinc/53/17/66/434531766.db2.gz HPKHSKCNTBWIJO-QGZVFWFLSA-N 1 0 316.489 3.472 10 0 DGAERO Cc1cc(N2CCC[C@H](C(N)=O)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000408174056 434548173 /nfs/dbraw/zinc/54/81/73/434548173.db2.gz GBKVKWGTIHAXEH-LBPRGKRZSA-N 1 0 317.820 3.207 10 0 DGAERO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)[C@@H]2C1 ZINC000408185165 434550033 /nfs/dbraw/zinc/55/00/33/434550033.db2.gz HIMMPUDYASQSOP-MAUKXSAKSA-N 1 0 324.428 3.240 10 0 DGAERO Cc1oc2nc(C[N@@H+]3CCC[C@@H]3C(C)(C)C)nc(N)c2c1C ZINC000408361558 434565874 /nfs/dbraw/zinc/56/58/74/434565874.db2.gz HOGPNPKHVBNEKP-GFCCVEGCSA-N 1 0 302.422 3.432 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@H](C)Cc2ccsc2)CC1 ZINC000525810880 295034879 /nfs/dbraw/zinc/03/48/79/295034879.db2.gz NIVNVQIFHWCWHM-CQSZACIVSA-N 1 0 323.506 3.100 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(CC)s2)n1 ZINC000526063470 295054347 /nfs/dbraw/zinc/05/43/47/295054347.db2.gz QAOPFCZARFTYDL-UHFFFAOYSA-N 1 0 324.471 3.276 10 0 DGAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000526117037 295058828 /nfs/dbraw/zinc/05/88/28/295058828.db2.gz PWFBDVFMVRDFQQ-WNRNVDISSA-N 1 0 321.486 3.268 10 0 DGAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000526117036 295058861 /nfs/dbraw/zinc/05/88/61/295058861.db2.gz PWFBDVFMVRDFQQ-VSZNYVQBSA-N 1 0 321.486 3.268 10 0 DGAERO CC1(C)C[N@H+](Cc2ccnc3ccccc23)C[C@@]2(CCOC2)O1 ZINC000526994640 295068838 /nfs/dbraw/zinc/06/88/38/295068838.db2.gz SIPDQGBMDGGOFN-LJQANCHMSA-N 1 0 312.413 3.005 10 0 DGAERO O[C@H](C[NH+]1CCC(c2ccccc2F)CC1)CC(F)(F)F ZINC000527298553 295090069 /nfs/dbraw/zinc/09/00/69/295090069.db2.gz ZOOIRTCVIUNEJJ-LBPRGKRZSA-N 1 0 305.315 3.318 10 0 DGAERO CC[C@H](COC)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527666234 295112443 /nfs/dbraw/zinc/11/24/43/295112443.db2.gz VDOWRXMYYHIQQL-SECBINFHSA-N 1 0 308.166 3.242 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527711206 295118776 /nfs/dbraw/zinc/11/87/76/295118776.db2.gz CEMCKLKNPBNGSI-JTQLQIEISA-N 1 0 320.177 3.384 10 0 DGAERO c1cn(-c2ccccc2)nc1CNC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527754399 295125747 /nfs/dbraw/zinc/12/57/47/295125747.db2.gz ZJNXHSMMMFFZLT-FQEVSTJZSA-N 1 0 324.472 3.369 10 0 DGAERO Cc1nn(C)c(C[NH2+]CC[C@@H]2CC=CCC2)c1Br ZINC000527785543 295129937 /nfs/dbraw/zinc/12/99/37/295129937.db2.gz AEYYKYINJIYWEY-GFCCVEGCSA-N 1 0 312.255 3.327 10 0 DGAERO C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CCN1C1CCCC1 ZINC000527812623 295135097 /nfs/dbraw/zinc/13/50/97/295135097.db2.gz VKYBKHRMUSTLTR-ZMMAXQRCSA-N 1 0 306.494 3.188 10 0 DGAERO c1ccc([C@H]([NH2+]C2CCC3(CC2)OCCO3)C2CCC2)nc1 ZINC000527966318 295158008 /nfs/dbraw/zinc/15/80/08/295158008.db2.gz OGWUBCMAKGTPFB-QGZVFWFLSA-N 1 0 302.418 3.198 10 0 DGAERO Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000408443660 434575735 /nfs/dbraw/zinc/57/57/35/434575735.db2.gz OPDSSRLLZLNZQQ-UKRRQHHQSA-N 1 0 314.433 3.423 10 0 DGAERO c1c[nH]c([C@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)c2ccccc2)n1 ZINC000528004170 295164664 /nfs/dbraw/zinc/16/46/64/295164664.db2.gz VRUCQPFFJAMVGA-ZWKOTPCHSA-N 1 0 310.445 3.106 10 0 DGAERO [NH3+]Cc1cccnc1NC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000333354623 295279076 /nfs/dbraw/zinc/27/90/76/295279076.db2.gz RVZHSCCRTSMPDZ-UHFFFAOYSA-N 1 0 322.412 3.404 10 0 DGAERO CC1(C)C[N@H+](CC2CCC(F)(F)CC2)C[C@]2(CCOC2)O1 ZINC000459431880 434584575 /nfs/dbraw/zinc/58/45/75/434584575.db2.gz AMKKEMCHHZJXLT-HNNXBMFYSA-N 1 0 303.393 3.082 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)C(C)C ZINC000185864434 295364400 /nfs/dbraw/zinc/36/44/00/295364400.db2.gz NPSBTRKXFFWISD-DLBZAZTESA-N 1 0 323.477 3.028 10 0 DGAERO COCCC1(C)C[NH+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000459640668 434644208 /nfs/dbraw/zinc/64/42/08/434644208.db2.gz XEHRGADZUQNPOK-CQSZACIVSA-N 1 0 309.425 3.371 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424196432 434652016 /nfs/dbraw/zinc/65/20/16/434652016.db2.gz AMIWJUPEDZDHOM-ZWKOTPCHSA-N 1 0 310.445 3.385 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)O2 ZINC000360658181 434660301 /nfs/dbraw/zinc/66/03/01/434660301.db2.gz RUBDBFFDADKFAU-QFBILLFUSA-N 1 0 310.397 3.352 10 0 DGAERO CC1CCC(O)(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)CC1 ZINC000360677225 434663767 /nfs/dbraw/zinc/66/37/67/434663767.db2.gz WZLZKVWLZZFPBF-RRWXTXHCSA-N 1 0 315.457 3.449 10 0 DGAERO O[C@@H](CC[NH2+]C1CC(c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000349315586 434671096 /nfs/dbraw/zinc/67/10/96/434671096.db2.gz LLOTVWCDWNVQNM-GDKBPFBDSA-N 1 0 307.743 3.489 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]3CCOC3)C1)O2 ZINC000360964710 434746665 /nfs/dbraw/zinc/74/66/65/434746665.db2.gz XBTAKWUWJOQRME-TWMKSMIVSA-N 1 0 317.429 3.011 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(CC2CC2)C2CCCCC2)CC1 ZINC000460226823 434747534 /nfs/dbraw/zinc/74/75/34/434747534.db2.gz KOULGIFSKXYZIW-UHFFFAOYSA-N 1 0 319.493 3.393 10 0 DGAERO CC[C@H](C)[C@H](C)N(C(=O)NCC[N@H+]1CC=C(C)CC1)C1CC1 ZINC000460226325 434748231 /nfs/dbraw/zinc/74/82/31/434748231.db2.gz IOEHHBDSPKTVLX-HOTGVXAUSA-N 1 0 307.482 3.247 10 0 DGAERO c1cncc(COc2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)cc2)c1 ZINC000459774617 434711268 /nfs/dbraw/zinc/71/12/68/434711268.db2.gz WDNUBYDOHRIUBS-WMZOPIPTSA-N 1 0 312.438 3.350 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000360890608 434721453 /nfs/dbraw/zinc/72/14/53/434721453.db2.gz BFTLRKCZHRLZOB-UHFFFAOYSA-N 1 0 318.461 3.366 10 0 DGAERO CC(=O)Nc1ccc(C[NH+]2CCC(c3nccc(C)n3)CC2)cc1 ZINC000371888458 434766326 /nfs/dbraw/zinc/76/63/26/434766326.db2.gz PBKPQBXKPLRENV-UHFFFAOYSA-N 1 0 324.428 3.123 10 0 DGAERO Cc1ccnc(C2CC[NH+](Cc3ccccc3N(C)C)CC2)n1 ZINC000371828138 434756619 /nfs/dbraw/zinc/75/66/19/434756619.db2.gz DWYIJLBOTZKQCG-UHFFFAOYSA-N 1 0 310.445 3.231 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2ccccc2OC(C)C)CCOCC1 ZINC000453064522 434788192 /nfs/dbraw/zinc/78/81/92/434788192.db2.gz IWLFWBAVKDHBBG-OAHLLOKOSA-N 1 0 307.434 3.148 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)CCOCC1 ZINC000453108782 434802514 /nfs/dbraw/zinc/80/25/14/434802514.db2.gz LSYWAEXBVMVRAH-XHSDSOJGSA-N 1 0 313.482 3.001 10 0 DGAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1cccc(Br)c1Cl ZINC000411527941 434796063 /nfs/dbraw/zinc/79/60/63/434796063.db2.gz GKLUICCOURUDHL-IUCAKERBSA-N 1 0 306.631 3.209 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2Cc3ccccc3[C@H]2C)C1 ZINC000361131263 434805698 /nfs/dbraw/zinc/80/56/98/434805698.db2.gz IMDMWQYWHACQHO-CPUCHLNUSA-N 1 0 301.434 3.002 10 0 DGAERO CCOc1cc(C)ccc1C[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453128296 434808646 /nfs/dbraw/zinc/80/86/46/434808646.db2.gz MCDFOBXHWHMOGR-HNNXBMFYSA-N 1 0 307.434 3.067 10 0 DGAERO C=Cc1ccc(CC[NH2+]Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000361135190 434808769 /nfs/dbraw/zinc/80/87/69/434808769.db2.gz DRFCOGHOJNQPIP-UHFFFAOYSA-N 1 0 306.413 3.321 10 0 DGAERO CC[C@H](C[NH2+][C@H](C)C1(OC)CCOCC1)Oc1ccccc1C ZINC000453141247 434812757 /nfs/dbraw/zinc/81/27/57/434812757.db2.gz BZFMTQIDGCGSJJ-IAGOWNOFSA-N 1 0 321.461 3.326 10 0 DGAERO CC[C@@H](C[NH2+][C@H](C)C1(OC)CCOCC1)Oc1ccccc1C ZINC000453141252 434813618 /nfs/dbraw/zinc/81/36/18/434813618.db2.gz BZFMTQIDGCGSJJ-SJORKVTESA-N 1 0 321.461 3.326 10 0 DGAERO COC1([C@H](C)[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000453148651 434814723 /nfs/dbraw/zinc/81/47/23/434814723.db2.gz QLTZZDWNIPLPFH-CGTJXYLNSA-N 1 0 303.446 3.496 10 0 DGAERO COC1([C@@H](C)[NH2+]CC2(Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000453152407 434816860 /nfs/dbraw/zinc/81/68/60/434816860.db2.gz ULAGKPOTCMXMHZ-OAHLLOKOSA-N 1 0 321.436 3.322 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@]2(C)CCCc3ccccc32)CCOCC1 ZINC000453169484 434820573 /nfs/dbraw/zinc/82/05/73/434820573.db2.gz UFPZFSIUMXLDSY-APWZRJJASA-N 1 0 317.473 3.454 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)c2ccccc2C1 ZINC000372408332 434822387 /nfs/dbraw/zinc/82/23/87/434822387.db2.gz IFIUVNRINHXGCE-AEFFLSMTSA-N 1 0 316.445 3.027 10 0 DGAERO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCOCC1CCC1 ZINC000521521276 434886484 /nfs/dbraw/zinc/88/64/84/434886484.db2.gz HIDWUGLKYSNLBE-OAHLLOKOSA-N 1 0 318.461 3.372 10 0 DGAERO C[C@H]([NH2+]CCOCC1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573407623 434895120 /nfs/dbraw/zinc/89/51/20/434895120.db2.gz WGRPGRPLOQMUAQ-PXNSSMCTSA-N 1 0 316.489 3.303 10 0 DGAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000462000550 434895693 /nfs/dbraw/zinc/89/56/93/434895693.db2.gz DKZPGFALWAXSPY-JYJNAYRXSA-N 1 0 321.465 3.491 10 0 DGAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCCC2CC2)c1 ZINC000522998112 434938779 /nfs/dbraw/zinc/93/87/79/434938779.db2.gz MEWILLATVCZOMQ-UHFFFAOYSA-N 1 0 317.477 3.258 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1(CCO)CCN(C)CC1 ZINC000573981082 434940530 /nfs/dbraw/zinc/94/05/30/434940530.db2.gz IQVDPNRYVBWGGX-SQFISAMPSA-N 1 0 322.880 3.180 10 0 DGAERO Brc1ccccc1CC1([NH2+]Cc2cncnc2)CC1 ZINC000492254638 434945333 /nfs/dbraw/zinc/94/53/33/434945333.db2.gz CDQGFFYFBKBHKT-UHFFFAOYSA-N 1 0 318.218 3.104 10 0 DGAERO C[C@H](C(=O)OC(C)(C)C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000523444269 434949647 /nfs/dbraw/zinc/94/96/47/434949647.db2.gz RCYAJULNXBTTON-IAGOWNOFSA-N 1 0 324.509 3.305 10 0 DGAERO COC1CCC([N@H+](C)Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000523790763 434961757 /nfs/dbraw/zinc/96/17/57/434961757.db2.gz YDAGIYKYDSAUKU-UHFFFAOYSA-N 1 0 315.417 3.434 10 0 DGAERO C[C@H](C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)N(C)C1CC1 ZINC000462785102 434927542 /nfs/dbraw/zinc/92/75/42/434927542.db2.gz KDENAQMGRBLWQL-CQSZACIVSA-N 1 0 318.461 3.214 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000554453338 434927927 /nfs/dbraw/zinc/92/79/27/434927927.db2.gz CNTCKOQSDKADFJ-KRWDZBQOSA-N 1 0 302.462 3.248 10 0 DGAERO CC(C)[N@H+](C)CCNCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462795497 434929749 /nfs/dbraw/zinc/92/97/49/434929749.db2.gz TYVMFXKKEBRATK-UHFFFAOYSA-N 1 0 306.450 3.072 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2-n2cccn2)no1 ZINC000555989298 434992175 /nfs/dbraw/zinc/99/21/75/434992175.db2.gz XOBBNEHUHAKHQS-MRXNPFEDSA-N 1 0 323.400 3.469 10 0 DGAERO C(=C/c1ccccc1)\CC[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000556226632 434999809 /nfs/dbraw/zinc/99/98/09/434999809.db2.gz CIEXKFXVUMBKPQ-XBXARRHUSA-N 1 0 301.430 3.361 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000525092232 435003672 /nfs/dbraw/zinc/00/36/72/435003672.db2.gz VQGGQVRYBOGXTE-CRAIPNDOSA-N 1 0 318.461 3.179 10 0 DGAERO C[C@@]1(c2cc(OC(=O)Nc3ccccc3)ccc2N)CC[NH2+]C1 ZINC000575129566 435006164 /nfs/dbraw/zinc/00/61/64/435006164.db2.gz FGQGJAAAGNKGEH-GOSISDBHSA-N 1 0 311.385 3.131 10 0 DGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1snc(OC)c1Br ZINC000638698241 435073064 /nfs/dbraw/zinc/07/30/64/435073064.db2.gz PAVMBHJDBNTBRI-JGVFFNPUSA-N 1 0 305.241 3.192 10 0 DGAERO Cc1cc(CC[NH2+][C@H](COCc2ccccc2)C(C)C)on1 ZINC000556920562 435038086 /nfs/dbraw/zinc/03/80/86/435038086.db2.gz NBHSIDWJNYMSAF-GOSISDBHSA-N 1 0 302.418 3.357 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466933925 435101410 /nfs/dbraw/zinc/10/14/10/435101410.db2.gz MNXQEWPZVLMGAD-YJBOKZPZSA-N 1 0 315.461 3.089 10 0 DGAERO COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H](C)OC)o2)cc1 ZINC000467353095 435117832 /nfs/dbraw/zinc/11/78/32/435117832.db2.gz JPJNOGGJWADCNV-QWHCGFSZSA-N 1 0 317.385 3.246 10 0 DGAERO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1 ZINC000467506756 435123546 /nfs/dbraw/zinc/12/35/46/435123546.db2.gz UYJWUWWVHQTYSW-OAHLLOKOSA-N 1 0 312.413 3.202 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000469258532 435130554 /nfs/dbraw/zinc/13/05/54/435130554.db2.gz KASAKPJMXCQWKH-SUMCQTLJSA-N 1 0 304.478 3.286 10 0 DGAERO CCC[C@H]1CN(C(=O)[C@H]2CCCCC2(C)C)CC[N@@H+]1CCOC ZINC000469265709 435130568 /nfs/dbraw/zinc/13/05/68/435130568.db2.gz ORSKNWLNVJOMJM-DLBZAZTESA-N 1 0 324.509 3.162 10 0 DGAERO O=C(C[NH2+]C1(c2ccccc2)CCCCC1)NCc1cccnc1 ZINC000532723889 435190092 /nfs/dbraw/zinc/19/00/92/435190092.db2.gz DMHNMZGWHGJCES-UHFFFAOYSA-N 1 0 323.440 3.147 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](Cc2c(Cl)cccc2CC)C1 ZINC000475693178 435208018 /nfs/dbraw/zinc/20/80/18/435208018.db2.gz JJAFDPZZABIYSV-AWEZNQCLSA-N 1 0 308.853 3.393 10 0 DGAERO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CC1 ZINC000532571481 435178092 /nfs/dbraw/zinc/17/80/92/435178092.db2.gz YDDMSQOBHWIAAK-CHWSQXEVSA-N 1 0 318.417 3.253 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCN1CCO[C@H](C)C1 ZINC000533122973 435213685 /nfs/dbraw/zinc/21/36/85/435213685.db2.gz FCRMDANGSRYGNI-ATGUSINASA-N 1 0 308.853 3.054 10 0 DGAERO CC1CC(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000475928700 435214766 /nfs/dbraw/zinc/21/47/66/435214766.db2.gz XBKMIXPCAIMULF-CGZBRXJRSA-N 1 0 307.482 3.083 10 0 DGAERO COc1nsc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1Br ZINC000639286362 435225969 /nfs/dbraw/zinc/22/59/69/435225969.db2.gz OXCUGMABVOMODW-DJLDLDEBSA-N 1 0 317.252 3.192 10 0 DGAERO c1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)cn2)cc1 ZINC000533540098 435245561 /nfs/dbraw/zinc/24/55/61/435245561.db2.gz FKRVRKWDXNOKJB-OALUTQOASA-N 1 0 323.440 3.392 10 0 DGAERO C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000477849852 435281163 /nfs/dbraw/zinc/28/11/63/435281163.db2.gz BMGATEUWTZRQHM-FZKQIMNGSA-N 1 0 305.418 3.397 10 0 DGAERO C[C@H]([NH2+]CC(C)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000497030736 435286632 /nfs/dbraw/zinc/28/66/32/435286632.db2.gz WADGDJVOBONYHH-NWDGAFQWSA-N 1 0 306.397 3.267 10 0 DGAERO CCC[N@H+](CCSC)CC(=O)Nc1ccc(Cl)cc1 ZINC000534839393 435301912 /nfs/dbraw/zinc/30/19/12/435301912.db2.gz IXRREDBBSMIOIZ-UHFFFAOYSA-N 1 0 300.855 3.354 10 0 DGAERO C[C@@H](CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)[NH+](C)C ZINC000479208893 435322356 /nfs/dbraw/zinc/32/23/56/435322356.db2.gz LOBIHRQCQMVQGC-VIFPVBQESA-N 1 0 323.487 3.318 10 0 DGAERO COC[C@H](CC(C)C)[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000536875435 435417553 /nfs/dbraw/zinc/41/75/53/435417553.db2.gz IFEFJLAUGLUDPJ-ZBFHGGJFSA-N 1 0 309.450 3.286 10 0 DGAERO c1ccc(Oc2cccnc2)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567990260 435377446 /nfs/dbraw/zinc/37/74/46/435377446.db2.gz NWAHJHIFHPLDRT-FQEVSTJZSA-N 1 0 323.440 3.449 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1CCOCC1(C)C ZINC000513517317 435391161 /nfs/dbraw/zinc/39/11/61/435391161.db2.gz HPWWUCCEXZIXAU-QINSGFPZSA-N 1 0 322.880 3.444 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCN1CCOC[C@@H]1C ZINC000513521722 435392415 /nfs/dbraw/zinc/39/24/15/435392415.db2.gz ZNVUZNROWNEMQY-GOFCXVBSSA-N 1 0 308.853 3.054 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC000513524033 435392677 /nfs/dbraw/zinc/39/26/77/435392677.db2.gz DNOFSEAWOQAMJB-WDBUWWRISA-N 1 0 306.837 3.342 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)C[N@H+](C)C1CCOCC1 ZINC000536650248 435399758 /nfs/dbraw/zinc/39/97/58/435399758.db2.gz VDRZLNPRZHOXSC-UHFFFAOYSA-N 1 0 304.478 3.255 10 0 DGAERO c1cn(-c2csc(CN3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000515383893 435481344 /nfs/dbraw/zinc/48/13/44/435481344.db2.gz XJMSOYFBSMREOK-IRXDYDNUSA-N 1 0 316.474 3.040 10 0 DGAERO COC[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc(F)cc1 ZINC000537177519 435428268 /nfs/dbraw/zinc/42/82/68/435428268.db2.gz IXRJOSRGRKFXRO-KRWDZBQOSA-N 1 0 307.340 3.321 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000537206264 435429709 /nfs/dbraw/zinc/42/97/09/435429709.db2.gz DVYJRIKXRBDBNC-FUHWJXTLSA-N 1 0 302.462 3.246 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000569206291 435511619 /nfs/dbraw/zinc/51/16/19/435511619.db2.gz GTFXLVZBBXXGNJ-OFLPRAFFSA-N 1 0 318.465 3.068 10 0 DGAERO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000538730462 435517737 /nfs/dbraw/zinc/51/77/37/435517737.db2.gz NBUCLFXDVFCCEG-RBAUTDOXSA-N 1 0 312.457 3.424 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000538751645 435519525 /nfs/dbraw/zinc/51/95/25/435519525.db2.gz FTASYBXLJGQNBA-FUHWJXTLSA-N 1 0 301.430 3.334 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000538751646 435521211 /nfs/dbraw/zinc/52/12/11/435521211.db2.gz FTASYBXLJGQNBA-SJLPKXTDSA-N 1 0 301.430 3.334 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000644669896 435482555 /nfs/dbraw/zinc/48/25/55/435482555.db2.gz SLQLBJMCWDYLEJ-NWDGAFQWSA-N 1 0 318.642 3.496 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)CC2 ZINC000568936114 435484219 /nfs/dbraw/zinc/48/42/19/435484219.db2.gz CWEZIGIENTUXHB-ZDUSSCGKSA-N 1 0 310.426 3.180 10 0 DGAERO COc1cc(C[N@H+](C)CC2(OC)CCCCC2)cc(OC)c1 ZINC000483161309 435499859 /nfs/dbraw/zinc/49/98/59/435499859.db2.gz VDNAXJNDKPVKGU-UHFFFAOYSA-N 1 0 307.434 3.485 10 0 DGAERO C[C@H](CCc1ccccc1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000483190845 435500296 /nfs/dbraw/zinc/50/02/96/435500296.db2.gz DZWVYXSMEUAZNL-APWZRJJASA-N 1 0 303.446 3.278 10 0 DGAERO c1ccc(CN2CCC([NH2+]CCOCC3CCC3)CC2)cc1 ZINC000569982293 435577833 /nfs/dbraw/zinc/57/78/33/435577833.db2.gz LJOIHZHYZZXOKI-UHFFFAOYSA-N 1 0 302.462 3.057 10 0 DGAERO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000540162969 435590966 /nfs/dbraw/zinc/59/09/66/435590966.db2.gz HKBMAOOTGZUHCQ-ZBFHGGJFSA-N 1 0 324.415 3.291 10 0 DGAERO COC[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000540162571 435591121 /nfs/dbraw/zinc/59/11/21/435591121.db2.gz ALWQFYVBGGDCKT-SLTAFYQDSA-N 1 0 317.351 3.200 10 0 DGAERO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000540575215 435608559 /nfs/dbraw/zinc/60/85/59/435608559.db2.gz QBYMQPFBNKFKGM-CXAGYDPISA-N 1 0 311.372 3.219 10 0 DGAERO Cc1scc(C(=O)N2CCN(Cc3ccsc3)CC2)c1C ZINC000540210140 435593654 /nfs/dbraw/zinc/59/36/54/435593654.db2.gz WNXDPIXZXUJJKK-UHFFFAOYSA-N 1 0 320.483 3.384 10 0 DGAERO COc1ccc(C2([NH2+]CCOc3ccc(F)cc3)CC2)cc1 ZINC000540358963 435598491 /nfs/dbraw/zinc/59/84/91/435598491.db2.gz CBDVRADRGDWAQP-UHFFFAOYSA-N 1 0 301.361 3.492 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CCn1ccc2cc(Cl)ccc21 ZINC000540516257 435606720 /nfs/dbraw/zinc/60/67/20/435606720.db2.gz SZABJYLXJOBLND-UHFFFAOYSA-N 1 0 321.852 3.095 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3[NH2+]CCN1CCCC1)CCCC2 ZINC000489611726 435651469 /nfs/dbraw/zinc/65/14/69/435651469.db2.gz XGPZACJUMUQTAE-LJQANCHMSA-N 1 0 314.473 3.465 10 0 DGAERO Cc1ccc(-c2noc(CN3C[C@@H](C4CC4)O[C@@H](C)C3)n2)cc1 ZINC000518858457 435657225 /nfs/dbraw/zinc/65/72/25/435657225.db2.gz HBZJNCJIGGDBTC-BBRMVZONSA-N 1 0 313.401 3.044 10 0 DGAERO CC[C@]1(CO)CCCN(Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000547974412 435658179 /nfs/dbraw/zinc/65/81/79/435658179.db2.gz DJGJCSZVXZVUGM-SFHVURJKSA-N 1 0 315.417 3.030 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000491382107 435739881 /nfs/dbraw/zinc/73/98/81/435739881.db2.gz AMVLHSPSJICPCA-RCCFBDPRSA-N 1 0 310.445 3.385 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000491382105 435740445 /nfs/dbraw/zinc/74/04/45/435740445.db2.gz AMVLHSPSJICPCA-KZNAEPCWSA-N 1 0 310.445 3.385 10 0 DGAERO CC1(C)C[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491238727 435719849 /nfs/dbraw/zinc/71/98/49/435719849.db2.gz HVVXTVNDWWPYGN-DLBZAZTESA-N 1 0 321.509 3.330 10 0 DGAERO Brc1cnccc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656608034 435982197 /nfs/dbraw/zinc/98/21/97/435982197.db2.gz GSUUSJQOESZEEV-CYBMUJFWSA-N 1 0 324.266 3.060 10 0 DGAERO [NH3+]C1(CNc2ncc(Br)cc2Cl)CCCC1 ZINC000656610868 435983613 /nfs/dbraw/zinc/98/36/13/435983613.db2.gz SUMWWQUMZRTUII-UHFFFAOYSA-N 1 0 304.619 3.181 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1Cl ZINC000658246120 436409080 /nfs/dbraw/zinc/40/90/80/436409080.db2.gz XTFOMJYHITYFMW-NXEZZACHSA-N 1 0 301.217 3.122 10 0 DGAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000658301150 436423145 /nfs/dbraw/zinc/42/31/45/436423145.db2.gz WVMXNOAVBWDTLD-RRFJBIMHSA-N 1 0 301.496 3.004 10 0 DGAERO CCCc1nccnc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663858463 436519061 /nfs/dbraw/zinc/51/90/61/436519061.db2.gz QEBYBAZNRMVOFH-QGZVFWFLSA-N 1 0 310.445 3.363 10 0 DGAERO Fc1nc(F)c(F)c(N2CCCC[C@H]([NH+]3CCCC3)C2)c1F ZINC000268168369 303137804 /nfs/dbraw/zinc/13/78/04/303137804.db2.gz ZOLDCYRIWQQYQJ-JTQLQIEISA-N 1 0 317.330 3.093 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCCc2ccccc21 ZINC000261825893 303364165 /nfs/dbraw/zinc/36/41/65/303364165.db2.gz KROYJAQFTODGRC-DRGBWMFJSA-N 1 0 312.457 3.129 10 0 DGAERO C[NH+](C)CCCC1CCN(C(=O)c2scnc2C2CC2)CC1 ZINC000133310903 312664434 /nfs/dbraw/zinc/66/44/34/312664434.db2.gz MVEYVIRIJXCSLI-UHFFFAOYSA-N 1 0 321.490 3.215 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000170633907 312697469 /nfs/dbraw/zinc/69/74/69/312697469.db2.gz QLBYJCJIAHUQHI-QGZVFWFLSA-N 1 0 312.413 3.084 10 0 DGAERO CC(C)(C)C1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000172111278 312741460 /nfs/dbraw/zinc/74/14/60/312741460.db2.gz CKCUCQYFRMJUGE-UHFFFAOYSA-N 1 0 307.482 3.081 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000172380445 312746605 /nfs/dbraw/zinc/74/66/05/312746605.db2.gz ZWZDCJMUFVIERO-HNNXBMFYSA-N 1 0 309.498 3.232 10 0 DGAERO CCC[C@@H](C)C[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000179686012 312813807 /nfs/dbraw/zinc/81/38/07/312813807.db2.gz KQRBKVDTIYOZBE-MRXNPFEDSA-N 1 0 312.498 3.066 10 0 DGAERO COCCSCCC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000377094699 313016496 /nfs/dbraw/zinc/01/64/96/313016496.db2.gz OWXAJBLUBQCCHD-RDJZCZTQSA-N 1 0 309.475 3.218 10 0 DGAERO c1nn(-c2ccccn2)cc1-c1cccc(C[NH2+]CC2CC2)c1 ZINC000530252007 313348931 /nfs/dbraw/zinc/34/89/31/313348931.db2.gz WHWXQQIOWUHCHB-UHFFFAOYSA-N 1 0 304.397 3.434 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 ZINC000530590353 313387033 /nfs/dbraw/zinc/38/70/33/313387033.db2.gz AJIHXGOILDYVNX-TWMKSMIVSA-N 1 0 320.864 3.495 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 ZINC000530590354 313387049 /nfs/dbraw/zinc/38/70/49/313387049.db2.gz AJIHXGOILDYVNX-VVLHAWIVSA-N 1 0 320.864 3.495 10 0 DGAERO OCCC1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000534333601 313663672 /nfs/dbraw/zinc/66/36/72/313663672.db2.gz PMYXLCBHWYUYKR-UHFFFAOYSA-N 1 0 308.472 3.466 10 0 DGAERO CCC[C@H]([NH2+]Cc1ccc(OCCOC)nc1)c1ccccn1 ZINC000535041481 313694197 /nfs/dbraw/zinc/69/41/97/313694197.db2.gz SUXSMILBZYBGJJ-INIZCTEOSA-N 1 0 315.417 3.133 10 0 DGAERO CC(C)[C@@H](CC1CCCCC1)C(=O)NCCNc1cc[nH+]cc1 ZINC000535262113 313707014 /nfs/dbraw/zinc/70/70/14/313707014.db2.gz NDGGVIBZMMYLDC-GOSISDBHSA-N 1 0 317.477 3.274 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000537214225 313801735 /nfs/dbraw/zinc/80/17/35/313801735.db2.gz RURSKYMQKMUKLY-UHFFFAOYSA-N 1 0 321.808 3.019 10 0 DGAERO c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000537227982 313803311 /nfs/dbraw/zinc/80/33/11/313803311.db2.gz AVFKWNPBMLAAOS-MJGOQNOKSA-N 1 0 307.441 3.444 10 0 DGAERO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)CCC[NH+](C)C ZINC000539416175 313911760 /nfs/dbraw/zinc/91/17/60/313911760.db2.gz DCMACWCNAUAOPJ-HNNXBMFYSA-N 1 0 320.477 3.162 10 0 DGAERO Cc1ccc(C)c(OCCCCC(=O)N(C)CCC[NH+](C)C)c1 ZINC000540517526 313964387 /nfs/dbraw/zinc/96/43/87/313964387.db2.gz NNEZGFZCSQODBX-UHFFFAOYSA-N 1 0 320.477 3.263 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000541482164 314017210 /nfs/dbraw/zinc/01/72/10/314017210.db2.gz JCPREFIKIZKLOI-HOTGVXAUSA-N 1 0 309.498 3.351 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000541493827 314018294 /nfs/dbraw/zinc/01/82/94/314018294.db2.gz XNDQSSISTNLDOG-IRXDYDNUSA-N 1 0 307.482 3.105 10 0 DGAERO C[C@H](CNC(=O)N(C)C[C@H]1CC=CCC1)C[NH+]1CCCCC1 ZINC000542271444 314066668 /nfs/dbraw/zinc/06/66/68/314066668.db2.gz DTMLIJJUANUEFU-SJORKVTESA-N 1 0 307.482 3.106 10 0 DGAERO Cc1ccc(CCC[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000542279856 314067361 /nfs/dbraw/zinc/06/73/61/314067361.db2.gz OSLSPTQXMMWVDR-HXUWFJFHSA-N 1 0 322.452 3.491 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2C[C@H]2C)CC1 ZINC000542983876 314109359 /nfs/dbraw/zinc/10/93/59/314109359.db2.gz RQZVGNXGIBFOHF-NVXWUHKLSA-N 1 0 309.498 3.186 10 0 DGAERO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C[C@H]1CC=CCC1 ZINC000543172174 314117903 /nfs/dbraw/zinc/11/79/03/314117903.db2.gz HCFMOTDZTNUXRY-GOEBONIOSA-N 1 0 309.837 3.368 10 0 DGAERO CCOc1ccc(OC[C@@H](O)C[N@H+](C)C[C@@H]2CC=CCC2)cc1 ZINC000543175953 314118558 /nfs/dbraw/zinc/11/85/58/314118558.db2.gz WUNAZCZYKNKCKM-SJORKVTESA-N 1 0 319.445 3.113 10 0 DGAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CC=CCC1 ZINC000543299858 314126496 /nfs/dbraw/zinc/12/64/96/314126496.db2.gz DUKXSSKRKKPMEI-MHORFTMASA-N 1 0 321.509 3.351 10 0 DGAERO CC[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccn(C)n1 ZINC000543637905 314147362 /nfs/dbraw/zinc/14/73/62/314147362.db2.gz ZCLIQDRVCWNJPK-HNNXBMFYSA-N 1 0 307.825 3.331 10 0 DGAERO C[C@H](Cc1ccsc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000543987209 314167054 /nfs/dbraw/zinc/16/70/54/314167054.db2.gz ZUDDXBOVZXSELO-CQSZACIVSA-N 1 0 306.475 3.014 10 0 DGAERO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)C[C@H]2CC=CCC2)c1 ZINC000544104361 314173176 /nfs/dbraw/zinc/17/31/76/314173176.db2.gz ASSTXGVLHJALML-ROUUACIJSA-N 1 0 303.446 3.331 10 0 DGAERO O=C(c1ccc(-c2ccccc2)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000544237213 314181944 /nfs/dbraw/zinc/18/19/44/314181944.db2.gz LKRIAGVZNMUMEO-INIZCTEOSA-N 1 0 310.397 3.257 10 0 DGAERO Cc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c(Cl)c1 ZINC000545161889 314229492 /nfs/dbraw/zinc/22/94/92/314229492.db2.gz NZPYNHFXRQXYPK-UHFFFAOYSA-N 1 0 307.825 3.422 10 0 DGAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C/C=C\c1ccccc1 ZINC000546179532 314294432 /nfs/dbraw/zinc/29/44/32/314294432.db2.gz VBHLATUGVXJNOU-IMXKFXGHSA-N 1 0 314.816 3.039 10 0 DGAERO CC[C@@H](CNC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccccc1 ZINC000546567206 314310924 /nfs/dbraw/zinc/31/09/24/314310924.db2.gz XAWISZSMRURVBT-KRWDZBQOSA-N 1 0 315.461 3.131 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)C[C@H](C)c2ccccc2)CC1 ZINC000546565407 314311057 /nfs/dbraw/zinc/31/10/57/314311057.db2.gz ANIRMWYXJJLDBS-KRWDZBQOSA-N 1 0 315.461 3.084 10 0 DGAERO COCCC(C)(C)C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000546932670 314337052 /nfs/dbraw/zinc/33/70/52/314337052.db2.gz YMICOJPLGFZJKO-KRWDZBQOSA-N 1 0 319.424 3.301 10 0 DGAERO c1cnc2c(c1)nccc2NC1CC[NH+](CC2CCCC2)CC1 ZINC000549122506 314495471 /nfs/dbraw/zinc/49/54/71/314495471.db2.gz YTJDHAKUZDAYEY-UHFFFAOYSA-N 1 0 310.445 3.118 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c4ccc(C)cc34)[C@H]2C1 ZINC000554690451 314695922 /nfs/dbraw/zinc/69/59/22/314695922.db2.gz WTJINWCCJHSLJA-IEZWGBDMSA-N 1 0 323.440 3.024 10 0 DGAERO C[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000554724318 314697420 /nfs/dbraw/zinc/69/74/20/314697420.db2.gz DDIYQWLFOXFUCO-SUMWQHHRSA-N 1 0 316.445 3.163 10 0 DGAERO c1c(C[NH2+]CC2(c3ccccn3)CCC2)[nH]nc1-c1cccnc1 ZINC000560504305 314927069 /nfs/dbraw/zinc/92/70/69/314927069.db2.gz DORNBUKHMDCPKP-UHFFFAOYSA-N 1 0 319.412 3.078 10 0 DGAERO c1ccc(OCCCCN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562836895 315056238 /nfs/dbraw/zinc/05/62/38/315056238.db2.gz BODIDVWJEKDGIF-RTBURBONSA-N 1 0 302.462 3.452 10 0 DGAERO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871295 315058657 /nfs/dbraw/zinc/05/86/57/315058657.db2.gz IBSDAJDZZNDLQC-OXJNMPFZSA-N 1 0 310.441 3.305 10 0 DGAERO CO[C@@H](C)CC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000564340461 315171044 /nfs/dbraw/zinc/17/10/44/315171044.db2.gz LMRAGOXEFYHDIL-LRDDRELGSA-N 1 0 307.825 3.178 10 0 DGAERO Cc1nc(CNC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[nH]c1C ZINC000565549924 315269972 /nfs/dbraw/zinc/26/99/72/315269972.db2.gz OTCSVGHLMOUMLC-IBGZPJMESA-N 1 0 312.461 3.171 10 0 DGAERO COC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000565692960 315280102 /nfs/dbraw/zinc/28/01/02/315280102.db2.gz QFNYBKHNTYLKDE-KRWDZBQOSA-N 1 0 322.493 3.060 10 0 DGAERO Fc1ccc(Br)c(C[NH2+]CCOCC2CCC2)c1 ZINC000571254938 315707463 /nfs/dbraw/zinc/70/74/63/315707463.db2.gz ZFMFFYUDIWKUJU-UHFFFAOYSA-N 1 0 316.214 3.495 10 0 DGAERO c1c(C[NH2+]C[C@H]2CC23CCSCC3)[nH]nc1-c1cccnc1 ZINC000572592501 315803740 /nfs/dbraw/zinc/80/37/40/315803740.db2.gz KMFDFUOWDZWYCZ-CQSZACIVSA-N 1 0 314.458 3.095 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@H](C)CC(C)(C)C3)[C@@H]2C1 ZINC000576069732 316090510 /nfs/dbraw/zinc/09/05/10/316090510.db2.gz ZZDDOIUAJZEJHP-MWTISTBLSA-N 1 0 306.494 3.438 10 0 DGAERO CN(C)C(=O)CCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000576091300 316093423 /nfs/dbraw/zinc/09/34/23/316093423.db2.gz ACKRIWZNNRJVEX-UHFFFAOYSA-N 1 0 313.445 3.216 10 0 DGAERO c1csc(-c2nc(CN3CC[C@@]4(C3)CCC[NH2+]C4)cs2)c1 ZINC000577751983 316268253 /nfs/dbraw/zinc/26/82/53/316268253.db2.gz YFSZFZUMBOHYJA-INIZCTEOSA-N 1 0 319.499 3.447 10 0 DGAERO CCC[C@H](C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180083553 323220930 /nfs/dbraw/zinc/22/09/30/323220930.db2.gz FIAVSKAXHYAXBU-UONOGXRCSA-N 1 0 312.479 3.024 10 0 DGAERO Clc1cccc(N2CCCC2)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180147005 323222581 /nfs/dbraw/zinc/22/25/81/323222581.db2.gz MXJVRQHGAILIQB-OAHLLOKOSA-N 1 0 319.880 3.220 10 0 DGAERO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccoc2)N2CCOCC2)s1 ZINC000180657539 323235587 /nfs/dbraw/zinc/23/55/87/323235587.db2.gz OCCZBZZOZANITE-GOEBONIOSA-N 1 0 320.458 3.374 10 0 DGAERO O=C(c1c[nH]c2cc(F)ccc12)N1CC[NH+](C2CCCC2)CC1 ZINC000181111610 323246168 /nfs/dbraw/zinc/24/61/68/323246168.db2.gz MEXCNEZNCUSCKU-UHFFFAOYSA-N 1 0 315.392 3.007 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181180579 323247957 /nfs/dbraw/zinc/24/79/57/323247957.db2.gz GVOUQYSIJXRFNU-KRWDZBQOSA-N 1 0 313.445 3.043 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000181371439 323252441 /nfs/dbraw/zinc/25/24/41/323252441.db2.gz PPEBJASONNAXPC-JSGCOSHPSA-N 1 0 314.351 3.138 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000181440536 323254304 /nfs/dbraw/zinc/25/43/04/323254304.db2.gz NFJQNXMONGMROM-IRXDYDNUSA-N 1 0 307.482 3.009 10 0 DGAERO CC[C@@H]1CN(CCCc2ccccc2Cl)CC[N@@H+]1CCOC ZINC000181818508 323271034 /nfs/dbraw/zinc/27/10/34/323271034.db2.gz MGXZDAXXRYESNZ-QGZVFWFLSA-N 1 0 324.896 3.315 10 0 DGAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000181963794 323277434 /nfs/dbraw/zinc/27/74/34/323277434.db2.gz WEZDTLULEJHHDL-UONOGXRCSA-N 1 0 321.367 3.364 10 0 DGAERO CNC(=O)c1cccc(CC[NH2+]C[C@H](C)Cc2ccccc2)c1 ZINC000182065486 323282100 /nfs/dbraw/zinc/28/21/00/323282100.db2.gz JJCKXJDOHXZBJW-MRXNPFEDSA-N 1 0 310.441 3.057 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C)Cc1ccccc1 ZINC000182058151 323282217 /nfs/dbraw/zinc/28/22/17/323282217.db2.gz HCTIDZDNBXFLFI-ULQDDVLXSA-N 1 0 302.462 3.244 10 0 DGAERO CCC(C)(CC)[NH2+]Cc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000182212261 323287244 /nfs/dbraw/zinc/28/72/44/323287244.db2.gz FAWUYYUYYQPYJF-UHFFFAOYSA-N 1 0 309.454 3.120 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000182397013 323296682 /nfs/dbraw/zinc/29/66/82/323296682.db2.gz DWVBERFRBRPLIT-CMPLNLGQSA-N 1 0 302.249 3.303 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000182594941 323305753 /nfs/dbraw/zinc/30/57/53/323305753.db2.gz ZHEUXNWFHSIDFA-XHSDSOJGSA-N 1 0 302.466 3.298 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000182707901 323309825 /nfs/dbraw/zinc/30/98/25/323309825.db2.gz ALWBCACZDCPIFR-GXTWGEPZSA-N 1 0 320.399 3.346 10 0 DGAERO COC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1ccc(F)c(F)c1 ZINC000183010076 323319601 /nfs/dbraw/zinc/31/96/01/323319601.db2.gz IBUQNDDKTITICT-IRXDYDNUSA-N 1 0 315.404 3.429 10 0 DGAERO C[NH+]1CCC(CNC(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183046424 323321678 /nfs/dbraw/zinc/32/16/78/323321678.db2.gz WIODXLUXIVRNTM-UHFFFAOYSA-N 1 0 320.399 3.203 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000183089938 323324750 /nfs/dbraw/zinc/32/47/50/323324750.db2.gz PWVIOEXYMFTHDZ-SDYXESRWSA-N 1 0 317.454 3.466 10 0 DGAERO Cn1c(C[NH2+][C@@H](Cc2ccccc2)C2CC2)nnc1C1CCC1 ZINC000183419327 323337428 /nfs/dbraw/zinc/33/74/28/323337428.db2.gz HCFRLTREMJIIMC-KRWDZBQOSA-N 1 0 310.445 3.194 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)c1 ZINC000183480155 323340155 /nfs/dbraw/zinc/34/01/55/323340155.db2.gz SYJLIUXBCVRKKR-GOSISDBHSA-N 1 0 308.425 3.392 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000183655942 323344528 /nfs/dbraw/zinc/34/45/28/323344528.db2.gz HSZMMCFZNACHIR-INIZCTEOSA-N 1 0 308.441 3.287 10 0 DGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCn1ccnn1 ZINC000184265933 323360257 /nfs/dbraw/zinc/36/02/57/323360257.db2.gz BBSGQDBKOLNDEF-OLZOCXBDSA-N 1 0 315.446 3.060 10 0 DGAERO CCc1ccccc1NC(=O)CN[C@@H](CC)c1nccs1 ZINC000185039453 323379839 /nfs/dbraw/zinc/37/98/39/323379839.db2.gz CCHQPVLZSHZZRQ-ZDUSSCGKSA-N 1 0 303.431 3.385 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000185292990 323387525 /nfs/dbraw/zinc/38/75/25/323387525.db2.gz NCZIPPPKSHIWRX-AWEZNQCLSA-N 1 0 300.402 3.298 10 0 DGAERO Cc1ccc2[nH+]ccc(N[C@@H]3CCCN(c4ncccn4)C3)c2c1 ZINC000185514123 323390100 /nfs/dbraw/zinc/39/01/00/323390100.db2.gz SELDIWXCPRSHNB-OAHLLOKOSA-N 1 0 319.412 3.414 10 0 DGAERO Cc1ccc2[nH+]ccc(N[C@H]3CCCN(c4ncccn4)C3)c2c1 ZINC000185514142 323390198 /nfs/dbraw/zinc/39/01/98/323390198.db2.gz SELDIWXCPRSHNB-HNNXBMFYSA-N 1 0 319.412 3.414 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C1=CCCCCC1 ZINC000185742451 323393683 /nfs/dbraw/zinc/39/36/83/323393683.db2.gz GKVIZFJPPUPUDE-GOSISDBHSA-N 1 0 300.446 3.166 10 0 DGAERO C[C@@]1(C(N)=O)CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000185892450 323397833 /nfs/dbraw/zinc/39/78/33/323397833.db2.gz ZWAOKUBFQJEVNH-AWEZNQCLSA-N 1 0 301.217 3.223 10 0 DGAERO COC[C@H](C)CNc1cccc(C[NH+]2CCSCC2)c1C ZINC000187584960 323416513 /nfs/dbraw/zinc/41/65/13/323416513.db2.gz UACYUSAXXYFTIQ-CQSZACIVSA-N 1 0 308.491 3.238 10 0 DGAERO COC[C@@H](C)C[NH2+][C@H](C)COc1ccccc1C(F)(F)F ZINC000187707606 323417830 /nfs/dbraw/zinc/41/78/30/323417830.db2.gz LJOHFFCLQZFVCI-NWDGAFQWSA-N 1 0 305.340 3.345 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc2c(c1)OCCCO2 ZINC000187842719 323419674 /nfs/dbraw/zinc/41/96/74/323419674.db2.gz LRSSLGMIEXQRIC-DZGCQCFKSA-N 1 0 305.418 3.456 10 0 DGAERO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192462517 323453486 /nfs/dbraw/zinc/45/34/86/323453486.db2.gz UBUHZMMLSSHRDK-NSHDSACASA-N 1 0 318.467 3.382 10 0 DGAERO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192573068 323455592 /nfs/dbraw/zinc/45/55/92/323455592.db2.gz PXOCQOZBJQMQEE-QWHCGFSZSA-N 1 0 322.499 3.364 10 0 DGAERO O[C@H]1CCC[C@@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000388520974 323653352 /nfs/dbraw/zinc/65/33/52/323653352.db2.gz XHFWKFYEQPEOQA-KOLCDFICSA-N 1 0 304.253 3.151 10 0 DGAERO [NH3+][C@H]1C[C@H](NCc2ccn(Cc3ccccc3)n2)c2ccccc21 ZINC000389957564 323664165 /nfs/dbraw/zinc/66/41/65/323664165.db2.gz XSTHEZXCLMFRGC-PMACEKPBSA-N 1 0 318.424 3.166 10 0 DGAERO CC(C)n1cncc1C[NH2+]C[C@H](C)COCc1ccccc1 ZINC000389938835 323664306 /nfs/dbraw/zinc/66/43/06/323664306.db2.gz OTRGLQPSBVMQRD-INIZCTEOSA-N 1 0 301.434 3.407 10 0 DGAERO C[C@@H]1C[C@H](C)N(C(=O)c2cc3sccc3s2)C[C@H]1C[NH3+] ZINC000397480634 323680884 /nfs/dbraw/zinc/68/08/84/323680884.db2.gz NCPGYJDAABJIGU-OUAUKWLOSA-N 1 0 308.472 3.408 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)s1 ZINC000580493411 324003709 /nfs/dbraw/zinc/00/37/09/324003709.db2.gz IQOBVMMCFRNEHV-ZDUSSCGKSA-N 1 0 315.504 3.103 10 0 DGAERO Fc1ccc(-c2nnc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)[nH]2)cc1 ZINC000581083957 324073186 /nfs/dbraw/zinc/07/31/86/324073186.db2.gz QJQVTYDMAZXVFQ-CABCVRRESA-N 1 0 300.381 3.279 10 0 DGAERO c1cnc(N[C@@H]2CC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)nc1 ZINC000581132931 324078949 /nfs/dbraw/zinc/07/89/49/324078949.db2.gz SPAVTXKXLKZDBO-GOSISDBHSA-N 1 0 308.429 3.431 10 0 DGAERO COc1cc([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)ccn1 ZINC000581200500 324087906 /nfs/dbraw/zinc/08/79/06/324087906.db2.gz QQIBIRDGZJPCOR-ZDUSSCGKSA-N 1 0 313.401 3.125 10 0 DGAERO C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000583438608 324354043 /nfs/dbraw/zinc/35/40/43/324354043.db2.gz UPYYPHQSRHHNKW-CABCVRRESA-N 1 0 305.422 3.118 10 0 DGAERO C[C@H]([C@H](C)C(C(N)=O)(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000584594142 337373737 /nfs/dbraw/zinc/37/37/37/337373737.db2.gz VUFKALDZEYVSQU-JKSUJKDBSA-N 1 0 310.441 3.044 10 0 DGAERO COc1ccc(CCC[NH2+]CCOc2ccccc2OC)cc1 ZINC000584595955 337374119 /nfs/dbraw/zinc/37/41/19/337374119.db2.gz NJUCKSBHXUACSW-UHFFFAOYSA-N 1 0 315.413 3.305 10 0 DGAERO O=C(NC1CCCC1)c1csc([C@@H]2C[C@H]2[NH2+]C2CCC2)c1 ZINC000584635360 337374834 /nfs/dbraw/zinc/37/48/34/337374834.db2.gz VZSDNHFXEYBWDN-HUUCEWRRSA-N 1 0 304.459 3.419 10 0 DGAERO C[NH+]1CCC([C@]2(O)c3ccccc3C=Cc3ncccc32)CC1 ZINC000584638175 337379470 /nfs/dbraw/zinc/37/94/70/337379470.db2.gz AGTFDADKQGAIOU-FQEVSTJZSA-N 1 0 306.409 3.143 10 0 DGAERO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000153107185 533747214 /nfs/dbraw/zinc/74/72/14/533747214.db2.gz AMXBRFAOQPJCPI-WBMJQRKESA-N 1 0 304.365 3.216 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)C1CCCC1 ZINC000184666833 533828312 /nfs/dbraw/zinc/82/83/12/533828312.db2.gz DDDCRHRPVPJKCL-NSHDSACASA-N 1 0 312.360 3.395 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000294630896 534238106 /nfs/dbraw/zinc/23/81/06/534238106.db2.gz JQZKMOVCWJKKGS-INIZCTEOSA-N 1 0 321.424 3.358 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000163014135 534484351 /nfs/dbraw/zinc/48/43/51/534484351.db2.gz DXVUZHIWKSNDMU-RRFJBIMHSA-N 1 0 308.491 3.253 10 0 DGAERO CCC[C@@H]([NH2+]C[C@@H]1CCCN1CCOC)c1ccc(OC)cc1 ZINC000163292068 520778217 /nfs/dbraw/zinc/77/82/17/520778217.db2.gz IFDMFNKUTWIQNS-PKOBYXMFSA-N 1 0 320.477 3.237 10 0 DGAERO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000156671646 521339785 /nfs/dbraw/zinc/33/97/85/521339785.db2.gz GBALYVVJIGAYPA-ZDUSSCGKSA-N 1 0 323.506 3.324 10 0 DGAERO CCc1csc([C@@H]2CCC[N@H+](Cc3c(C)nn(C)c3C)C2)n1 ZINC000157050045 522112721 /nfs/dbraw/zinc/11/27/21/522112721.db2.gz NCSINGQPONBKDN-CQSZACIVSA-N 1 0 318.490 3.435 10 0 DGAERO CCc1nc(C)c([C@H](C)[NH2+]Cc2cccnc2N(C)C)s1 ZINC000154719039 522235450 /nfs/dbraw/zinc/23/54/50/522235450.db2.gz ABUKKOWRVQRXTJ-NSHDSACASA-N 1 0 304.463 3.326 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(OC(C)C)c3)[C@H]2C1 ZINC000158458571 523710936 /nfs/dbraw/zinc/71/09/36/523710936.db2.gz ZECSSDVNUJVOPC-NEWSRXKRSA-N 1 0 319.445 3.242 10 0 DGAERO CCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccc(F)cc2)n1 ZINC000070456338 523821530 /nfs/dbraw/zinc/82/15/30/523821530.db2.gz FYADDBHLNRGGRI-ZDUSSCGKSA-N 1 0 314.408 3.257 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000163382367 523830167 /nfs/dbraw/zinc/83/01/67/523830167.db2.gz OHMUENHMWYYTJB-GXTWGEPZSA-N 1 0 314.832 3.241 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000172170107 534808277 /nfs/dbraw/zinc/80/82/77/534808277.db2.gz PREMBCXLWKLQQL-JKSUJKDBSA-N 1 0 302.462 3.211 10 0 DGAERO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCO1 ZINC000328648982 534813789 /nfs/dbraw/zinc/81/37/89/534813789.db2.gz UVIPGKOXCNNBEM-KONPQCLYSA-N 1 0 303.450 3.199 10 0 DGAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc2c1OCCO2 ZINC000188946370 524953658 /nfs/dbraw/zinc/95/36/58/524953658.db2.gz JVDKUUFRZMHZQF-INIZCTEOSA-N 1 0 311.381 3.380 10 0 DGAERO Cc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)n1 ZINC000070456214 525278001 /nfs/dbraw/zinc/27/80/01/525278001.db2.gz YZVPQFRQYIKYJO-ZDUSSCGKSA-N 1 0 300.381 3.003 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC(C)(C)C[NH+](C)C)cc1Cl ZINC000455099873 534863828 /nfs/dbraw/zinc/86/38/28/534863828.db2.gz WVKAIDBYRUDJFT-UHFFFAOYSA-N 1 0 311.813 3.004 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158466727 525944971 /nfs/dbraw/zinc/94/49/71/525944971.db2.gz BOUCAWCDWTVHJQ-HIFRSBDPSA-N 1 0 313.445 3.339 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CCCOC[C@@H]1CCCO1)CCCO2 ZINC000163501772 526210934 /nfs/dbraw/zinc/21/09/34/526210934.db2.gz LECVVQVJZBJEDI-FUHWJXTLSA-N 1 0 319.445 3.384 10 0 DGAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000188963745 527074484 /nfs/dbraw/zinc/07/44/84/527074484.db2.gz SMNJWHQTHAELQE-PBHICJAKSA-N 1 0 322.399 3.107 10 0 DGAERO O=C(Nc1cc(Cl)ccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000154829361 527112062 /nfs/dbraw/zinc/11/20/62/527112062.db2.gz DFZANQGDYQOTSP-GFCCVEGCSA-N 1 0 311.788 3.181 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)cc1Cl ZINC000415440120 527308993 /nfs/dbraw/zinc/30/89/93/527308993.db2.gz DLIUANYXUBYTIA-HNNXBMFYSA-N 1 0 311.813 3.038 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000431116905 527312672 /nfs/dbraw/zinc/31/26/72/527312672.db2.gz FGUZLRDCDWWNHW-OXEWVQNLSA-N 1 0 314.429 3.385 10 0 DGAERO OCCC1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000157474630 527533347 /nfs/dbraw/zinc/53/33/47/527533347.db2.gz YBDFISSWZDXTNJ-HNNXBMFYSA-N 1 0 324.262 3.059 10 0 DGAERO CC(C)C1(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000175619460 527608186 /nfs/dbraw/zinc/60/81/86/527608186.db2.gz GKFBODBSNCGIGY-UHFFFAOYSA-N 1 0 321.440 3.123 10 0 DGAERO CCC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C[C@@H]1CCCCO1 ZINC000173347328 527886600 /nfs/dbraw/zinc/88/66/00/527886600.db2.gz XUWKONFLQWYKMM-BBWFWOEESA-N 1 0 310.482 3.057 10 0 DGAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C1(C)C ZINC000435128193 527901863 /nfs/dbraw/zinc/90/18/63/527901863.db2.gz ZSOAYDYKLBKRQA-JKSUJKDBSA-N 1 0 303.406 3.305 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ncccc1OC(C)C ZINC000175999215 528118597 /nfs/dbraw/zinc/11/85/97/528118597.db2.gz ONATUZGSKKEZKS-HNNXBMFYSA-N 1 0 321.465 3.109 10 0 DGAERO CC1=C[C@@H](C)C[C@H](C[NH2+]CCn2cc(Br)cn2)C1 ZINC000310960251 528133828 /nfs/dbraw/zinc/13/38/28/528133828.db2.gz BQJYMHIOIYDYGA-YPMHNXCESA-N 1 0 312.255 3.228 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cc(C)cc(F)c2)CC1 ZINC000152760112 528186151 /nfs/dbraw/zinc/18/61/51/528186151.db2.gz OEKAOIPLHFMJCW-UHFFFAOYSA-N 1 0 307.413 3.378 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1 ZINC000164174270 528187159 /nfs/dbraw/zinc/18/71/59/528187159.db2.gz SOKRUNGNHPFGJT-JKSUJKDBSA-N 1 0 320.502 3.398 10 0 DGAERO CCC[NH+]1CCC(N(C)Cc2nc(C3CCCC3)no2)CC1 ZINC000154922339 528195304 /nfs/dbraw/zinc/19/53/04/528195304.db2.gz FXBOHMLBKNMUFP-UHFFFAOYSA-N 1 0 306.454 3.033 10 0 DGAERO CCCNc1ccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000434783461 528569916 /nfs/dbraw/zinc/56/99/16/528569916.db2.gz HNWQBRDBRUPLAZ-UHFFFAOYSA-N 1 0 321.428 3.379 10 0 DGAERO CCCn1cc(C[NH2+]CCc2cn(C)c3cc(C)ccc23)cn1 ZINC000186546264 528845654 /nfs/dbraw/zinc/84/56/54/528845654.db2.gz ILFGGCNTPJFHIA-UHFFFAOYSA-N 1 0 310.445 3.426 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCCC(C)(C)C2)CC1 ZINC000443164025 528964972 /nfs/dbraw/zinc/96/49/72/528964972.db2.gz BVQOIOCWXYHJAM-INIZCTEOSA-N 1 0 309.498 3.376 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000443170270 528965244 /nfs/dbraw/zinc/96/52/44/528965244.db2.gz SQPDKKDJAWGYOB-NVXWUHKLSA-N 1 0 309.498 3.376 10 0 DGAERO CC(C)[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000436281594 529017518 /nfs/dbraw/zinc/01/75/18/529017518.db2.gz QBHMDJXPHFEFEA-UFYCRDLUSA-N 1 0 316.489 3.269 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000176029966 529091370 /nfs/dbraw/zinc/09/13/70/529091370.db2.gz AUFPZJPOQDSZNM-JTQLQIEISA-N 1 0 318.314 3.059 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCC(C)(C)CO)cc1 ZINC000449406388 534954253 /nfs/dbraw/zinc/95/42/53/534954253.db2.gz AIIZPACXKRXAOU-UHFFFAOYSA-N 1 0 307.434 3.140 10 0 DGAERO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2c(Br)cnn2C)C1 ZINC000487280821 535184887 /nfs/dbraw/zinc/18/48/87/535184887.db2.gz QXLLUODOADYGSV-NWDGAFQWSA-N 1 0 314.271 3.487 10 0 DGAERO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000449580018 535542252 /nfs/dbraw/zinc/54/22/52/535542252.db2.gz MCAQRHYRGFNGFG-BNICSPFPSA-N 1 0 305.393 3.393 10 0 DGAERO CCn1nnc(C)c1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000449081589 535917463 /nfs/dbraw/zinc/91/74/63/535917463.db2.gz GNEFLTWOMWKMJV-JTQLQIEISA-N 1 0 310.348 3.059 10 0 DGAERO C[N@H+](CCNC(=O)[C@@H]1CCCCC1(C)C)Cc1ccccc1 ZINC000469027827 536383828 /nfs/dbraw/zinc/38/38/28/536383828.db2.gz PMYSWTNVRHTLAM-KRWDZBQOSA-N 1 0 302.462 3.451 10 0 DGAERO COC1([C@@H](C)[NH2+]CCCn2ccc3ccccc32)CCOCC1 ZINC000453065986 536706868 /nfs/dbraw/zinc/70/68/68/536706868.db2.gz XYNOXWQAYONTBO-MRXNPFEDSA-N 1 0 316.445 3.205 10 0 DGAERO COC1CCC([NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000449402196 536737147 /nfs/dbraw/zinc/73/71/47/536737147.db2.gz PWSRQCPWZZICTM-UHFFFAOYSA-N 1 0 319.268 3.261 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1sccc1Br ZINC000037321436 545673566 /nfs/dbraw/zinc/67/35/66/545673566.db2.gz VUVREVGPWRPHNZ-AEJSXWLSSA-N 1 0 304.253 3.465 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(F)c(Br)c1 ZINC000040673082 545676518 /nfs/dbraw/zinc/67/65/18/545676518.db2.gz HJTXQHLSVIPXQO-PWSUYJOCSA-N 1 0 315.230 3.333 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000041110977 545676676 /nfs/dbraw/zinc/67/66/76/545676676.db2.gz UORAOQANLCSKJQ-YOEHRIQHSA-N 1 0 308.441 3.412 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457116 545814797 /nfs/dbraw/zinc/81/47/97/545814797.db2.gz QULOSCWMGMDQCN-BXUZGUMPSA-N 1 0 315.244 3.327 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000089454611 545815205 /nfs/dbraw/zinc/81/52/05/545815205.db2.gz HUDUNLAQKQUSOL-QWRGUYRKSA-N 1 0 303.793 3.202 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455280 545815282 /nfs/dbraw/zinc/81/52/82/545815282.db2.gz FOWIVJMAVJBUCA-RYUDHWBXSA-N 1 0 315.244 3.327 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000092955630 545851309 /nfs/dbraw/zinc/85/13/09/545851309.db2.gz BZABOZRHBCWFHM-ATZCPNFKSA-N 1 0 301.217 3.169 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccccn1)C2 ZINC000110819657 545872189 /nfs/dbraw/zinc/87/21/89/545872189.db2.gz DAMQEEHFSJQSMQ-HNNXBMFYSA-N 1 0 317.230 3.491 10 0 DGAERO COc1ccc2cc(C[NH2+]CC[C@@H](C)[S@](C)=O)ccc2c1 ZINC000129503415 545943357 /nfs/dbraw/zinc/94/33/57/545943357.db2.gz YYWGRIPOULEFGH-LRTDBIEQSA-N 1 0 305.443 3.095 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000136350329 545981878 /nfs/dbraw/zinc/98/18/78/545981878.db2.gz OFYNKDSXACSQSO-MFKMUULPSA-N 1 0 302.340 3.256 10 0 DGAERO CCOc1ccc2nc(NC(=O)C[C@@H]([NH3+])C(C)C)sc2c1 ZINC000136297637 545982156 /nfs/dbraw/zinc/98/21/56/545982156.db2.gz FXVPMPBDJFENTL-LLVKDONJSA-N 1 0 307.419 3.007 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000152970964 546006200 /nfs/dbraw/zinc/00/62/00/546006200.db2.gz MXIMREYJUVOPKY-HNAYVOBHSA-N 1 0 312.461 3.423 10 0 DGAERO CCN(CC)[C@H](C[NH2+][C@H]1CCCOC1)c1ccccc1Cl ZINC000153614452 546010727 /nfs/dbraw/zinc/01/07/27/546010727.db2.gz XCCIVTKQVNKDEG-WMLDXEAASA-N 1 0 310.869 3.492 10 0 DGAERO C[C@@H](NC(=O)C[NH2+]C1CC1)c1c(Cl)ccc(F)c1Cl ZINC000154125216 546014934 /nfs/dbraw/zinc/01/49/34/546014934.db2.gz CLQURKZKQJUGJM-SSDOTTSWSA-N 1 0 305.180 3.062 10 0 DGAERO CC(C)[N@H+](C[C@@H](O)CN(C)Cc1ccccc1)C1CCCC1 ZINC000157627058 546042274 /nfs/dbraw/zinc/04/22/74/546042274.db2.gz ZFLXXENCGBIQLU-IBGZPJMESA-N 1 0 304.478 3.132 10 0 DGAERO CC(C)(C)[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(F)c1 ZINC000162182830 546077497 /nfs/dbraw/zinc/07/74/97/546077497.db2.gz ZLMTZOUEQWTPPG-OAHLLOKOSA-N 1 0 307.413 3.046 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCc3ccc(F)cc31)CC2 ZINC000175005118 546110368 /nfs/dbraw/zinc/11/03/68/546110368.db2.gz NOYBSGZTGGAXQH-ZBFHGGJFSA-N 1 0 314.408 3.133 10 0 DGAERO CCC1(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CCC1 ZINC000176032713 546115037 /nfs/dbraw/zinc/11/50/37/546115037.db2.gz HYGLHFJLRYUHAQ-OAHLLOKOSA-N 1 0 319.449 3.357 10 0 DGAERO CNC(=O)[C@H]([NH2+]Cc1ccc(-c2ccccc2Cl)o1)C(C)C ZINC000178950726 546133014 /nfs/dbraw/zinc/13/30/14/546133014.db2.gz BTGKDGACHHRQTA-MRXNPFEDSA-N 1 0 320.820 3.460 10 0 DGAERO CCc1csc([C@H]2CCC[N@H+](Cc3cn(C)nc3CC)C2)n1 ZINC000179969800 546139836 /nfs/dbraw/zinc/13/98/36/546139836.db2.gz AOINHVOJNCYRNY-ZDUSSCGKSA-N 1 0 318.490 3.381 10 0 DGAERO Clc1ccccc1OC[C@@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000180149145 546142117 /nfs/dbraw/zinc/14/21/17/546142117.db2.gz WGGUSEVWEVZORD-CQSZACIVSA-N 1 0 317.820 3.421 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3c[nH]nc3C)C2)c1 ZINC000180565962 546146434 /nfs/dbraw/zinc/14/64/34/546146434.db2.gz WWMZKISPDUXQLM-DZGCQCFKSA-N 1 0 314.433 3.046 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000180734306 546148906 /nfs/dbraw/zinc/14/89/06/546148906.db2.gz FUZINURUTCHCTC-NWDGAFQWSA-N 1 0 312.816 3.388 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000180734257 546149061 /nfs/dbraw/zinc/14/90/61/546149061.db2.gz FUZINURUTCHCTC-NEPJUHHUSA-N 1 0 312.816 3.388 10 0 DGAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000180731265 546149221 /nfs/dbraw/zinc/14/92/21/546149221.db2.gz GYVHMPVVKCJHIR-WDEREUQCSA-N 1 0 300.805 3.290 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000181036570 546150811 /nfs/dbraw/zinc/15/08/11/546150811.db2.gz YXZVYBDVWPQNCM-LZVXQISVSA-N 1 0 320.387 3.092 10 0 DGAERO Cn1c(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)nnc1C1CCC1 ZINC000181049058 546151509 /nfs/dbraw/zinc/15/15/09/546151509.db2.gz JIESKDUDLYGEBE-QGZVFWFLSA-N 1 0 310.445 3.290 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1)N1CCOCC1 ZINC000181438518 546156894 /nfs/dbraw/zinc/15/68/94/546156894.db2.gz SUZYHLCXTLQCFZ-CHWSQXEVSA-N 1 0 322.836 3.458 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCOC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181537265 546158284 /nfs/dbraw/zinc/15/82/84/546158284.db2.gz GYWQLFFZJJAGQA-WDYCEAGBSA-N 1 0 319.445 3.080 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc2c(c1)OCCO2 ZINC000182117635 546162816 /nfs/dbraw/zinc/16/28/16/546162816.db2.gz QIKCXRFJTNBXBF-NSHDSACASA-N 1 0 304.777 3.357 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000182561418 546166137 /nfs/dbraw/zinc/16/61/37/546166137.db2.gz OMXGDAKSJPGOJH-MNOVXSKESA-N 1 0 320.380 3.200 10 0 DGAERO C[C@@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCO1 ZINC000183167144 546172078 /nfs/dbraw/zinc/17/20/78/546172078.db2.gz GXESYAWBNUDYOT-RISCZKNCSA-N 1 0 303.324 3.285 10 0 DGAERO CN(C)[C@H](C[NH2+][C@H]1CCCOC1)c1cccc(C(F)(F)F)c1 ZINC000186569836 546195243 /nfs/dbraw/zinc/19/52/43/546195243.db2.gz FCPSXBCTRAZSPI-LSDHHAIUSA-N 1 0 316.367 3.077 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)s1 ZINC000188420216 546205559 /nfs/dbraw/zinc/20/55/59/546205559.db2.gz WBTPDCJUUUMEPP-CQSZACIVSA-N 1 0 304.463 3.203 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Br)ccc1F ZINC000211723365 546259327 /nfs/dbraw/zinc/25/93/27/546259327.db2.gz MTDILXJMYZQXEP-ZYHUDNBSSA-N 1 0 315.230 3.333 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000223042209 546266585 /nfs/dbraw/zinc/26/65/85/546266585.db2.gz FXXQDGIVHIZHBA-UEKVPHQBSA-N 1 0 310.235 3.330 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Br)cs1 ZINC000226393501 546267921 /nfs/dbraw/zinc/26/79/21/546267921.db2.gz VWXVKZUNIASEIZ-GXSJLCMTSA-N 1 0 303.269 3.255 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000227421021 546268898 /nfs/dbraw/zinc/26/88/98/546268898.db2.gz INMLRRJEXDLHIR-QWRGUYRKSA-N 1 0 311.223 3.071 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000227381596 546268931 /nfs/dbraw/zinc/26/89/31/546268931.db2.gz UGIQILSEWZWESB-HEHGZKQESA-N 1 0 306.837 3.379 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc4cnccc43)[C@H]2C1 ZINC000248396239 546316736 /nfs/dbraw/zinc/31/67/36/546316736.db2.gz ZOAPWVYXUPALAW-NZSAHSFTSA-N 1 0 312.413 3.003 10 0 DGAERO CC[C@H]1CN(c2ncc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000253365734 546332775 /nfs/dbraw/zinc/33/27/75/546332775.db2.gz PLVARTXDENQQIK-GZMMTYOYSA-N 1 0 318.646 3.061 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000261674723 546337913 /nfs/dbraw/zinc/33/79/13/546337913.db2.gz GIZSPSLDQIKGLW-IEBWSBKVSA-N 1 0 314.473 3.375 10 0 DGAERO CC(C)CN(CCc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261801515 546338480 /nfs/dbraw/zinc/33/84/80/546338480.db2.gz QYUBAYRRJUMWFW-QZTJIDSGSA-N 1 0 302.462 3.089 10 0 DGAERO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312610844 546453554 /nfs/dbraw/zinc/45/35/54/546453554.db2.gz WTSWALAACHHKGF-POYBYMJQSA-N 1 0 300.276 3.257 10 0 DGAERO c1oc(-c2ccccc2)nc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321966154 546472206 /nfs/dbraw/zinc/47/22/06/546472206.db2.gz JPOSFULDIXWAED-WMZOPIPTSA-N 1 0 311.429 3.306 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)CCN1Cc1ccccc1 ZINC000379656820 546735683 /nfs/dbraw/zinc/73/56/83/546735683.db2.gz QPXQOSUUPRUHHR-BHIYHBOVSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CSC1 ZINC000381310862 546739276 /nfs/dbraw/zinc/73/92/76/546739276.db2.gz LNOCMHZILDOMBB-QMMMGPOBSA-N 1 0 304.228 3.224 10 0 DGAERO COC[C@@H](C)C[N@H+](C)Cc1ccc(Br)cc1F ZINC000383886515 546742327 /nfs/dbraw/zinc/74/23/27/546742327.db2.gz SXPBOGREKTWANA-JTQLQIEISA-N 1 0 304.203 3.303 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)C1 ZINC000390557250 546754703 /nfs/dbraw/zinc/75/47/03/546754703.db2.gz INHDVVXUVKGBQH-IPMKNSEASA-N 1 0 302.462 3.198 10 0 DGAERO CC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)CCC1 ZINC000390932358 546756628 /nfs/dbraw/zinc/75/66/28/546756628.db2.gz LKHSCNLYGUCLEE-SFHVURJKSA-N 1 0 302.462 3.057 10 0 DGAERO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(O)c2ccccc2c1 ZINC000525942493 546967627 /nfs/dbraw/zinc/96/76/27/546967627.db2.gz KVGIJSHTEKBGTF-QGZVFWFLSA-N 1 0 324.424 3.292 10 0 DGAERO C[C@@H](NC(=O)c1cc(O)c2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000526927137 546968783 /nfs/dbraw/zinc/96/87/83/546968783.db2.gz UXABGXAZZVBQRC-CYBMUJFWSA-N 1 0 314.429 3.252 10 0 DGAERO Cc1cccc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1F ZINC000675055359 548148537 /nfs/dbraw/zinc/14/85/37/548148537.db2.gz ROONSBRGLIPHRP-GXTWGEPZSA-N 1 0 308.397 3.452 10 0 DGAERO COc1ccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000675055579 548148909 /nfs/dbraw/zinc/14/89/09/548148909.db2.gz VEWUHQISQSJIGL-UKRRQHHQSA-N 1 0 306.406 3.013 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(Br)cn1 ZINC000684553811 549657315 /nfs/dbraw/zinc/65/73/15/549657315.db2.gz VKTDXTYOSCKBHK-COPLHBTASA-N 1 0 313.239 3.046 10 0 DGAERO C[N@@H+]1CCCC[C@@H]1[C@H]1CC[C@@H]2c3ccccc3C=CC(=O)N2C1 ZINC000004098570 560195885 /nfs/dbraw/zinc/19/58/85/560195885.db2.gz SYCAKKSJEGVPOL-QXAKKESOSA-N 1 0 310.441 3.477 10 0 in-vitro DGAERO CC(C)(C)OC(=O)NC[C@H]1CC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000724109105 563496319 /nfs/dbraw/zinc/49/63/19/563496319.db2.gz FCMPWKVAQVMSMH-YVEFUNNKSA-N 1 0 322.474 3.414 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@@]2(C1)[NH2+]CCc1occc12 ZINC000724099525 563496394 /nfs/dbraw/zinc/49/63/94/563496394.db2.gz IGDJHGFZTBQZBX-SJCJKPOMSA-N 1 0 306.406 3.088 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000724109100 563496574 /nfs/dbraw/zinc/49/65/74/563496574.db2.gz FCMPWKVAQVMSMH-PXAZEXFGSA-N 1 0 322.474 3.414 10 0 DGAERO CC(C)(C)OC(=O)NC1CCC2(CC1)[NH2+]CCc1ccoc12 ZINC000724099863 563496609 /nfs/dbraw/zinc/49/66/09/563496609.db2.gz KCEXCHBMMXWNEX-UHFFFAOYSA-N 1 0 306.406 3.088 10 0 DGAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2ccoc21 ZINC000725242764 563525816 /nfs/dbraw/zinc/52/58/16/563525816.db2.gz RSYJSELJPBBFJA-DYVFJYSZSA-N 1 0 308.422 3.190 10 0 DGAERO CCOC(=O)c1cn(C[N@H+](C)[C@H](C)C(C)C)nc1C(F)(F)F ZINC000731495143 574550738 /nfs/dbraw/zinc/55/07/38/574550738.db2.gz VYFMQONTXYIAQA-SNVBAGLBSA-N 1 0 321.343 3.012 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cc(F)cc(F)c2)C1 ZINC000675052578 563780481 /nfs/dbraw/zinc/78/04/81/563780481.db2.gz BQPDTVPWZRTTAF-UONOGXRCSA-N 1 0 312.360 3.283 10 0 DGAERO COc1ccc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1 ZINC000675054451 563861935 /nfs/dbraw/zinc/86/19/35/563861935.db2.gz NQGMQUYOEZBJMW-DZGCQCFKSA-N 1 0 306.406 3.095 10 0 DGAERO C/C(=C\C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Cl ZINC000732034676 574565115 /nfs/dbraw/zinc/56/51/15/574565115.db2.gz GBJDHSABBNAPPK-HFBDAHEESA-N 1 0 318.848 3.438 10 0 DGAERO C/C(=C/C(=O)NCCC[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC000732053042 574565591 /nfs/dbraw/zinc/56/55/91/574565591.db2.gz XLMMVBIYEXIAIZ-SSZFMOIBSA-N 1 0 318.436 3.467 10 0 DGAERO C/C(=C\C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1cccc(F)c1 ZINC000732057847 574565885 /nfs/dbraw/zinc/56/58/85/574565885.db2.gz LUCZFSFDCUPHOH-XDPMZMSMSA-N 1 0 304.409 3.077 10 0 DGAERO C/C(=C/C(=O)N[C@H](C)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732058127 574565905 /nfs/dbraw/zinc/56/59/05/574565905.db2.gz WFIKHFVKGZCOJF-QKXCFHHRSA-N 1 0 304.409 3.220 10 0 DGAERO CCCCCC[N@H+](C)CC(=O)Nc1ccc2c(c1)CCCO2 ZINC000732282527 574570577 /nfs/dbraw/zinc/57/05/77/574570577.db2.gz PGUXDWQBKPPUDZ-UHFFFAOYSA-N 1 0 304.434 3.462 10 0 DGAERO CC(C)[N@@H+](Cc1ccccc1)CN1C[C@@H](c2ccccn2)CC1=O ZINC000733288915 574613017 /nfs/dbraw/zinc/61/30/17/574613017.db2.gz BKAQBIXYWHSCTG-SFHVURJKSA-N 1 0 323.440 3.266 10 0 DGAERO Brc1cnn(CN2CCC[C@]3(CC=CCC3)C2)c1 ZINC000733991100 574647110 /nfs/dbraw/zinc/64/71/10/574647110.db2.gz BDBBSWSQRNFKHE-CQSZACIVSA-N 1 0 310.239 3.425 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C)[NH2+]CCc2ccoc21 ZINC000703041155 574836775 /nfs/dbraw/zinc/83/67/75/574836775.db2.gz VLAUYDGKMDCEIT-CXAGYDPISA-N 1 0 306.406 3.040 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000738987791 574888266 /nfs/dbraw/zinc/88/82/66/574888266.db2.gz XPKGLKBJKUMEKX-SJORKVTESA-N 1 0 317.477 3.272 10 0 DGAERO CCCCOC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000741787484 574970873 /nfs/dbraw/zinc/97/08/73/574970873.db2.gz HHGNTMHKDUGVDA-MSOLQXFVSA-N 1 0 324.509 3.306 10 0 DGAERO c1cn2c(C[NH2+][C@@H]3CCCOC3)c(-c3ccccc3)nc2s1 ZINC000730021351 575270144 /nfs/dbraw/zinc/27/01/44/575270144.db2.gz FCLXXTLNVGPNKA-CQSZACIVSA-N 1 0 313.426 3.331 10 0 DGAERO Cc1cn2c([nH+]1)NCC[C@H]2[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000236046148 575839427 /nfs/dbraw/zinc/83/94/27/575839427.db2.gz AXGKVERTLDCJIB-KGLIPLIRSA-N 1 0 320.437 3.195 10 0 DGAERO Cc1ccccc1[C@@H]1CC[N@@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000725777273 575911906 /nfs/dbraw/zinc/91/19/06/575911906.db2.gz CLMBFEMFQYEVBI-MRXNPFEDSA-N 1 0 321.424 3.095 10 0 DGAERO C[C@H](CNC(=O)Nc1ccc2c(c1)CCCO2)[NH+]1CCCCC1 ZINC000726081026 576006493 /nfs/dbraw/zinc/00/64/93/576006493.db2.gz ZHTKUVJOXTWVTB-CQSZACIVSA-N 1 0 317.433 3.008 10 0 DGAERO CCCCNC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728446677 576182950 /nfs/dbraw/zinc/18/29/50/576182950.db2.gz XGGPWHLKBDVTLP-INIZCTEOSA-N 1 0 311.539 3.249 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000728535386 576186850 /nfs/dbraw/zinc/18/68/50/576186850.db2.gz XUCSBKJWKNHSSU-MAUBAPBLSA-N 1 0 304.478 3.457 10 0 DGAERO CC(C)[NH2+]Cc1cccc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000757136804 617646758 /nfs/dbraw/zinc/64/67/58/617646758.db2.gz SKCCPRILYOBUDQ-UHFFFAOYSA-N 1 0 304.434 3.478 10 0 DGAERO C[C@@H](O)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135502577 617981321 /nfs/dbraw/zinc/98/13/21/617981321.db2.gz SPEGOHUYRUSNSK-BMIGLBTASA-N 1 0 318.244 3.120 10 0 DGAERO CCn1nccc1C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000118970943 618042252 /nfs/dbraw/zinc/04/22/52/618042252.db2.gz MWAAWDBCCWKMOY-GOSISDBHSA-N 1 0 312.461 3.047 10 0 DGAERO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000223632071 618625492 /nfs/dbraw/zinc/62/54/92/618625492.db2.gz QVYAHDMUDPEZAZ-PFEDMVJOSA-N 1 0 312.207 3.219 10 0 DGAERO COC(=O)CN(Cc1cc(Cl)nc2ccccc12)C(C)C ZINC000129002390 625380724 /nfs/dbraw/zinc/38/07/24/625380724.db2.gz LOIXXWGGYUTYTC-UHFFFAOYSA-N 1 0 306.793 3.272 10 0 DGAERO C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000150718249 620383980 /nfs/dbraw/zinc/38/39/80/620383980.db2.gz SZWYCEYLTCBKSD-LIRRHRJNSA-N 1 0 312.388 3.232 10 0 DGAERO CSC[C@@H](C)C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989923 621071291 /nfs/dbraw/zinc/07/12/91/621071291.db2.gz XLQJZOQDTXONRC-NVXWUHKLSA-N 1 0 321.486 3.441 10 0 DGAERO CS[C@@H](C)C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000103336563 621342042 /nfs/dbraw/zinc/34/20/42/621342042.db2.gz RGFLTDJOPHGFAP-AWEZNQCLSA-N 1 0 323.458 3.208 10 0 DGAERO O=C(Cc1ccsc1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117093874 621351462 /nfs/dbraw/zinc/35/14/62/621351462.db2.gz VACIYIHBVYNDJH-MRXNPFEDSA-N 1 0 301.411 3.108 10 0 DGAERO CCCCO[C@@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117093110 621351721 /nfs/dbraw/zinc/35/17/21/621351721.db2.gz SVWYCHYTEIFFQP-DOTOQJQBSA-N 1 0 305.418 3.009 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000119324562 621647534 /nfs/dbraw/zinc/64/75/34/621647534.db2.gz WQZBZESTUORQIO-OBHPCNEJSA-N 1 0 318.436 3.323 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)ccc1OC ZINC000123115687 622465194 /nfs/dbraw/zinc/46/51/94/622465194.db2.gz XLJGURDWNSJBRJ-YJBOKZPZSA-N 1 0 322.493 3.469 10 0 DGAERO C[C@@H]1CC[C@H](C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000123231436 622488722 /nfs/dbraw/zinc/48/87/22/622488722.db2.gz JTMWILIVOPSUTL-CRAIPNDOSA-N 1 0 317.429 3.009 10 0 DGAERO FC(F)(F)Sc1ccc(C[NH2+]CCCn2ccnn2)cc1 ZINC000126506806 623868822 /nfs/dbraw/zinc/86/88/22/623868822.db2.gz JEUDBEVLMIMBFU-UHFFFAOYSA-N 1 0 316.352 3.070 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1OC ZINC000130507081 625864360 /nfs/dbraw/zinc/86/43/60/625864360.db2.gz DNDGPLFKXKPRPC-CZUORRHYSA-N 1 0 301.386 3.088 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCCSC(C)(C)C ZINC000130769072 625901859 /nfs/dbraw/zinc/90/18/59/625901859.db2.gz GWNNJARRALNFQS-AWEZNQCLSA-N 1 0 300.512 3.289 10 0 DGAERO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)nc2ccccc12 ZINC000130950465 625922037 /nfs/dbraw/zinc/92/20/37/625922037.db2.gz DJAWWKNXWCMGQU-ZIAGYGMSSA-N 1 0 317.820 3.022 10 0 DGAERO C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000132407387 626718218 /nfs/dbraw/zinc/71/82/18/626718218.db2.gz FWJOVUGIVKSBFO-ACCUITESSA-N 1 0 306.837 3.296 10 0 DGAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000757184784 626753819 /nfs/dbraw/zinc/75/38/19/626753819.db2.gz NPDJSLSBZRNTAZ-STQMWFEESA-N 1 0 315.335 3.350 10 0 DGAERO CSCCCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000133603122 626827847 /nfs/dbraw/zinc/82/78/47/626827847.db2.gz VGEFZIZMYGYHJR-CYBMUJFWSA-N 1 0 308.447 3.437 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)nc1 ZINC000134366349 626874662 /nfs/dbraw/zinc/87/46/62/626874662.db2.gz VSSPSYUIERFBOQ-HOCLYGCPSA-N 1 0 319.449 3.173 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)CC2 ZINC000223129743 627279168 /nfs/dbraw/zinc/27/91/68/627279168.db2.gz QTEOBUIKHRSUFY-MRXNPFEDSA-N 1 0 304.434 3.487 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300910089 627284451 /nfs/dbraw/zinc/28/44/51/627284451.db2.gz CZFHEEAEDATQLN-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO S=C1OCCN1C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000101536229 629731108 /nfs/dbraw/zinc/73/11/08/629731108.db2.gz BTCMMVFHVDYNNN-INIZCTEOSA-N 1 0 302.443 3.103 10 0 DGAERO C[NH2+]CCCNC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000121424408 629965600 /nfs/dbraw/zinc/96/56/00/629965600.db2.gz IFGRXWFUNIWJKR-UHFFFAOYSA-N 1 0 324.468 3.204 10 0 DGAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)o1 ZINC000105433658 630710092 /nfs/dbraw/zinc/71/00/92/630710092.db2.gz PXFVQEHUIBHBOS-JSGCOSHPSA-N 1 0 308.422 3.407 10 0 DGAERO CCC[N@H+](C[C@@H]1CCCCO1)Cn1nccc1-c1cccnc1 ZINC000106856161 631475577 /nfs/dbraw/zinc/47/55/77/631475577.db2.gz KTCUNKIWZSCNMB-KRWDZBQOSA-N 1 0 314.433 3.184 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H](c2ccc(C)s2)N2CCOCC2)o1 ZINC000109074673 632039916 /nfs/dbraw/zinc/03/99/16/632039916.db2.gz OSQCMOKTQKODBS-MRXNPFEDSA-N 1 0 320.458 3.121 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185287768 660214150 /nfs/dbraw/zinc/21/41/50/660214150.db2.gz ISJOPZQALWBIHN-CYBMUJFWSA-N 1 0 313.829 3.314 10 0 DGAERO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000072897135 660227039 /nfs/dbraw/zinc/22/70/39/660227039.db2.gz RSXADFLHXWGZHU-JKSUJKDBSA-N 1 0 315.461 3.346 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000700017799 660608565 /nfs/dbraw/zinc/60/85/65/660608565.db2.gz BFRZRBODCFGWFN-FPCVCCKLSA-N 1 0 308.466 3.269 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000700104876 660612086 /nfs/dbraw/zinc/61/20/86/660612086.db2.gz DTTBPTRRIXYTDY-ARKGTOAJSA-N 1 0 308.466 3.316 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@H]2CCc3cccnc32)CCN1C(=O)OC(C)(C)C ZINC000700732043 660634327 /nfs/dbraw/zinc/63/43/27/660634327.db2.gz LYQRNIVIIPLHPR-SNPRPXQTSA-N 1 0 317.433 3.056 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cncc(F)c1 ZINC000700746892 660634355 /nfs/dbraw/zinc/63/43/55/660634355.db2.gz VNXRCDWISAQGEU-TYNCELHUSA-N 1 0 323.412 3.269 10 0 DGAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccccn1 ZINC000701856766 660690396 /nfs/dbraw/zinc/69/03/96/660690396.db2.gz YNYBGLPEXGUPRW-WRSVWVKZSA-N 1 0 317.433 3.132 10 0 DGAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cccnc1 ZINC000701856034 660690704 /nfs/dbraw/zinc/69/07/04/660690704.db2.gz OGQAQTDMVCFYGE-WRSVWVKZSA-N 1 0 317.433 3.132 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000701934614 660692621 /nfs/dbraw/zinc/69/26/21/660692621.db2.gz HXJCBGIJWXZPQC-RYUDHWBXSA-N 1 0 304.381 3.021 10 0 DGAERO Cc1occc1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701932224 660692652 /nfs/dbraw/zinc/69/26/52/660692652.db2.gz VJPPEHOVOXLZIF-UHFFFAOYSA-N 1 0 306.406 3.077 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC[C@H]2CC2(F)F)C1 ZINC000701934632 660693073 /nfs/dbraw/zinc/69/30/73/660693073.db2.gz IIYBNSBITOKBRL-STQMWFEESA-N 1 0 318.408 3.268 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000701956398 660694157 /nfs/dbraw/zinc/69/41/57/660694157.db2.gz SLXLDTKCPDGHIN-GJZGRUSLSA-N 1 0 324.371 3.032 10 0 DGAERO C[C@@H]([NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)C1(Cl)CC1 ZINC000702358156 660720726 /nfs/dbraw/zinc/72/07/26/660720726.db2.gz IOHLHKXGZBIDQQ-GFCCVEGCSA-N 1 0 316.873 3.431 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000702395702 660722275 /nfs/dbraw/zinc/72/22/75/660722275.db2.gz XSEGBBIAOZNEBK-YNEHKIRRSA-N 1 0 305.365 3.222 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCC1(F)CCC1 ZINC000702502278 660725800 /nfs/dbraw/zinc/72/58/00/660725800.db2.gz FTIHKXROSXWBIO-ZDUSSCGKSA-N 1 0 300.418 3.258 10 0 DGAERO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000702620457 660731892 /nfs/dbraw/zinc/73/18/92/660731892.db2.gz TYMIGWCSYFPMKA-MELADBBJSA-N 1 0 302.434 3.408 10 0 DGAERO CCc1nnc(C[NH2+]CCCCOCc2ccccc2)s1 ZINC000702671215 660734247 /nfs/dbraw/zinc/73/42/47/660734247.db2.gz TWKHQSZJFVDRCI-UHFFFAOYSA-N 1 0 305.447 3.187 10 0 DGAERO C[C@H]([NH2+]CCc1ccoc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000703029780 660755499 /nfs/dbraw/zinc/75/54/99/660755499.db2.gz YUWGQTOINWXJMA-GOEBONIOSA-N 1 0 322.449 3.447 10 0 DGAERO COC1CC(C[N@H+](C)Cc2ccc(Br)s2)C1 ZINC000703338768 660777538 /nfs/dbraw/zinc/77/75/38/660777538.db2.gz ZTHQTJIUJILBSX-UHFFFAOYSA-N 1 0 304.253 3.367 10 0 DGAERO Brc1ccc(C[NH2+]CCC2SCCS2)o1 ZINC000703363704 660778131 /nfs/dbraw/zinc/77/81/31/660778131.db2.gz HOMVTONYSIMZDX-UHFFFAOYSA-N 1 0 308.266 3.328 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(F)F ZINC000704202433 660805639 /nfs/dbraw/zinc/80/56/39/660805639.db2.gz ZUDJKBSYSFDHRC-BJDJZHNGSA-N 1 0 304.381 3.018 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC000704375302 660808385 /nfs/dbraw/zinc/80/83/85/660808385.db2.gz RJVDYFAFJFIROD-QWRGUYRKSA-N 1 0 313.829 3.126 10 0 DGAERO CCC([NH2+]Cc1cc(Br)nn1C)(C1CC1)C1CC1 ZINC000704699403 660815269 /nfs/dbraw/zinc/81/52/69/660815269.db2.gz VQJJUFVSFQWEKM-UHFFFAOYSA-N 1 0 312.255 3.241 10 0 DGAERO Clc1cc(C[NH2+]CC[C@@H]2CCSC2)cc2c1OCCO2 ZINC000704789662 660818705 /nfs/dbraw/zinc/81/87/05/660818705.db2.gz GWNUANDHPNCIGV-LLVKDONJSA-N 1 0 313.850 3.344 10 0 DGAERO Oc1cccc(C[NH2+]CC[C@H]2CCSC2)c1Br ZINC000704845398 660822737 /nfs/dbraw/zinc/82/27/37/660822737.db2.gz MXRKDNWSLJLCKH-JTQLQIEISA-N 1 0 316.264 3.388 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CCSC2)C1 ZINC000704892450 660825570 /nfs/dbraw/zinc/82/55/70/660825570.db2.gz VWTWAPKZZVIUJN-UONOGXRCSA-N 1 0 314.495 3.119 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCSC1 ZINC000704893402 660825781 /nfs/dbraw/zinc/82/57/81/660825781.db2.gz YOFDIYSQRQDXIP-ZIAGYGMSSA-N 1 0 314.495 3.119 10 0 DGAERO Cc1ncccc1C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000705562714 660837801 /nfs/dbraw/zinc/83/78/01/660837801.db2.gz QGLTVZJLSOIORS-CVEARBPZSA-N 1 0 319.449 3.173 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000709656442 660925194 /nfs/dbraw/zinc/92/51/94/660925194.db2.gz NMQVRVSWRYFGAK-CYBMUJFWSA-N 1 0 314.470 3.085 10 0 DGAERO CCC(F)(F)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709473183 660928462 /nfs/dbraw/zinc/92/84/62/660928462.db2.gz XZVHOPDWKAFATK-XQQFMLRXSA-N 1 0 318.408 3.409 10 0 DGAERO Brc1ccc(C[NH2+][C@H]2CCCSCC2)nc1 ZINC000709540840 660929018 /nfs/dbraw/zinc/92/90/18/660929018.db2.gz HPUFMWZHPOYSTC-NSHDSACASA-N 1 0 301.253 3.219 10 0 DGAERO C[N@@H+](Cc1cscc1Br)C[C@@H]1CCC[C@@H](O)C1 ZINC000709789151 660930644 /nfs/dbraw/zinc/93/06/44/660930644.db2.gz HTMOCBMGCJKXOA-ZYHUDNBSSA-N 1 0 318.280 3.494 10 0 DGAERO [NH3+]Cc1nc2c(s1)CCN([C@@H]1CCCc3sccc31)C2 ZINC000710238496 660932743 /nfs/dbraw/zinc/93/27/43/660932743.db2.gz IHVSOMUMPJKCPI-GFCCVEGCSA-N 1 0 305.472 3.099 10 0 DGAERO CC[C@H](CSC)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711460543 660954057 /nfs/dbraw/zinc/95/40/57/660954057.db2.gz WBUVAWVBTWBTPO-UPJWGTAASA-N 1 0 302.484 3.021 10 0 DGAERO Cc1ccc(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC000711352620 660948185 /nfs/dbraw/zinc/94/81/85/660948185.db2.gz IPPADKAPBZGBAN-HIFRSBDPSA-N 1 0 323.234 3.228 10 0 DGAERO CSC1(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC000711392592 660949281 /nfs/dbraw/zinc/94/92/81/660949281.db2.gz QFSUXXRSQZKBQG-BETUJISGSA-N 1 0 314.495 3.165 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@H]2CCCSC2)C1 ZINC000711400625 660949921 /nfs/dbraw/zinc/94/99/21/660949921.db2.gz MTHZTSJYMBWVAM-IYXRBSQSSA-N 1 0 314.495 3.023 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC[C@H]2CCSC2)C1 ZINC000711421661 660951456 /nfs/dbraw/zinc/95/14/56/660951456.db2.gz YAUCQFWBRQJHRC-MELADBBJSA-N 1 0 314.495 3.023 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@H]2CCCCS2)C1 ZINC000711441009 660952902 /nfs/dbraw/zinc/95/29/02/660952902.db2.gz FRKUFGFISQHWRY-RUXDESIVSA-N 1 0 314.495 3.165 10 0 DGAERO Cc1ccc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)s1 ZINC000711440679 660952925 /nfs/dbraw/zinc/95/29/25/660952925.db2.gz UWGXBEQYDPGXTA-UHFFFAOYSA-N 1 0 310.463 3.449 10 0 DGAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000711448997 660953750 /nfs/dbraw/zinc/95/37/50/660953750.db2.gz UATUEDHNRCGWJZ-HSBZDZAISA-N 1 0 305.422 3.036 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCCC2(F)F)C1 ZINC000711460966 660954003 /nfs/dbraw/zinc/95/40/03/660954003.db2.gz ZXFOYHLUZBDIRS-TUAOUCFPSA-N 1 0 304.381 3.067 10 0 DGAERO Brc1ccoc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711832642 660963696 /nfs/dbraw/zinc/96/36/96/660963696.db2.gz KJEQZZJWONULLG-SMDDNHRTSA-N 1 0 314.223 3.337 10 0 DGAERO CCSCCC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711485956 660955019 /nfs/dbraw/zinc/95/50/19/660955019.db2.gz RTHHHCICRRYTRG-UHFFFAOYSA-N 1 0 302.484 3.023 10 0 DGAERO Cc1csc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000711505791 660956002 /nfs/dbraw/zinc/95/60/02/660956002.db2.gz PBMCSQAHUXNKFP-UHFFFAOYSA-N 1 0 310.463 3.449 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cccnc3)CCC[C@H]12 ZINC000711637620 660959827 /nfs/dbraw/zinc/95/98/27/660959827.db2.gz BARHSYPVNWXZMF-YJBOKZPZSA-N 1 0 317.433 3.103 10 0 DGAERO Cn1ccc(C[NH2+][C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1 ZINC000711643039 660961107 /nfs/dbraw/zinc/96/11/07/660961107.db2.gz YYJVIFYDWPJQLG-CRAIPNDOSA-N 1 0 319.449 3.047 10 0 DGAERO C/C(=C/C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000160252836 655548411 /nfs/dbraw/zinc/54/84/11/655548411.db2.gz SNEZTJIWDVAGJU-JVGGDYBHSA-N 1 0 304.821 3.096 10 0 DGAERO O[C@@H](CC[N@@H+]1CCS[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000721411416 655582205 /nfs/dbraw/zinc/58/22/05/655582205.db2.gz OVOULXMHGZYPGB-QWHCGFSZSA-N 1 0 305.365 3.090 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C\c2ccccc2Cl)C1 ZINC000255134298 655608579 /nfs/dbraw/zinc/60/85/79/655608579.db2.gz RKKHLHOFTIXRFI-CAUIONCQSA-N 1 0 318.848 3.296 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CCC[C@H]2OC)cc1Br ZINC000049949131 655627253 /nfs/dbraw/zinc/62/72/53/655627253.db2.gz RECVURXCRZOOPJ-GXTWGEPZSA-N 1 0 314.223 3.115 10 0 DGAERO CC[N@@H+]1CCCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000307894103 655661387 /nfs/dbraw/zinc/66/13/87/655661387.db2.gz HWYFRNYWHOOICP-UHFFFAOYSA-N 1 0 307.747 3.286 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@H](O)c2cc(F)ccc2F)cc1 ZINC000051112547 655700578 /nfs/dbraw/zinc/70/05/78/655700578.db2.gz SHPCQGJYHKYEHN-KRWDZBQOSA-N 1 0 307.340 3.139 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@@H](O)c2cc(F)ccc2F)cc1 ZINC000051112549 655700748 /nfs/dbraw/zinc/70/07/48/655700748.db2.gz SHPCQGJYHKYEHN-QGZVFWFLSA-N 1 0 307.340 3.139 10 0 DGAERO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Cl)c(F)c1 ZINC000723848663 655724666 /nfs/dbraw/zinc/72/46/66/655724666.db2.gz XWZAFYSVXDNLFC-SNVBAGLBSA-N 1 0 321.845 3.201 10 0 DGAERO CC[C@H]([NH2+]Cc1cccc(Br)n1)[C@H]1CCCOC1 ZINC000724012903 655736366 /nfs/dbraw/zinc/73/63/66/655736366.db2.gz UOZGZGWEJJEVRN-AAEUAGOBSA-N 1 0 313.239 3.139 10 0 DGAERO Cc1csc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000724093137 655741422 /nfs/dbraw/zinc/74/14/22/655741422.db2.gz LLFUCYAYKDPSJX-VIFPVBQESA-N 1 0 303.296 3.095 10 0 DGAERO Cc1csc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000724093132 655741441 /nfs/dbraw/zinc/74/14/41/655741441.db2.gz LLFUCYAYKDPSJX-SECBINFHSA-N 1 0 303.296 3.095 10 0 DGAERO Cc1cscc1C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724107620 655742103 /nfs/dbraw/zinc/74/21/03/655742103.db2.gz DJXZUBGLMUTAFW-VIFPVBQESA-N 1 0 303.296 3.095 10 0 DGAERO CCC[C@@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1ccccn1 ZINC000158752932 655790897 /nfs/dbraw/zinc/79/08/97/655790897.db2.gz OGHNOUICAPZWPT-NVXWUHKLSA-N 1 0 300.402 3.255 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)ccc1Cl ZINC000724617406 655794774 /nfs/dbraw/zinc/79/47/74/655794774.db2.gz FCJQWMGGKSNEMM-NOBRSGAKSA-N 1 0 316.228 3.448 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000255555487 655795633 /nfs/dbraw/zinc/79/56/33/655795633.db2.gz AIMFUSOBTBCCTF-DVFVSVACSA-N 1 0 304.821 3.050 10 0 DGAERO Cc1nn(C)c(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c1Br ZINC000712409486 661188192 /nfs/dbraw/zinc/18/81/92/661188192.db2.gz WEVXKSLPHSGKBA-SDDRHHMPSA-N 1 0 312.255 3.159 10 0 DGAERO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cn(C)nc1Br ZINC000712396737 661188281 /nfs/dbraw/zinc/18/82/81/661188281.db2.gz IORYBZDINGAXCN-MFKMUULPSA-N 1 0 300.244 3.241 10 0 DGAERO C[C@H]1CCC[C@H](C[NH2+]Cc2cn(C)nc2Br)C1 ZINC000712477028 661188685 /nfs/dbraw/zinc/18/86/85/661188685.db2.gz PWJIWGMVRGPSNB-QWRGUYRKSA-N 1 0 300.244 3.099 10 0 DGAERO CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000712571571 661189492 /nfs/dbraw/zinc/18/94/92/661189492.db2.gz JMCTYOARHFNMGV-NXEZZACHSA-N 1 0 303.269 3.255 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161735183 655813877 /nfs/dbraw/zinc/81/38/77/655813877.db2.gz OUUCVEGPCNSIRN-CYBMUJFWSA-N 1 0 321.465 3.283 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000712627381 661189594 /nfs/dbraw/zinc/18/95/94/661189594.db2.gz BMJMJTXBLMBKTB-ZBFHGGJFSA-N 1 0 308.466 3.412 10 0 DGAERO CC[C@@H]1C[C@@H]([NH2+]CCc2sccc2Br)CO1 ZINC000713047158 661189791 /nfs/dbraw/zinc/18/97/91/661189791.db2.gz XGILBVHBGSDKKF-NXEZZACHSA-N 1 0 304.253 3.210 10 0 DGAERO C[C@@H]([NH2+]CCc1sccc1Br)c1cnccn1 ZINC000713104982 661190146 /nfs/dbraw/zinc/19/01/46/661190146.db2.gz PMOAZVSIOSZPPO-SECBINFHSA-N 1 0 312.236 3.194 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713092610 661190166 /nfs/dbraw/zinc/19/01/66/661190166.db2.gz FPXJIBJDLVPNQE-KOLCDFICSA-N 1 0 304.253 3.068 10 0 DGAERO Brc1ccsc1CC[NH2+]Cc1nccs1 ZINC000713079081 661190220 /nfs/dbraw/zinc/19/02/20/661190220.db2.gz XAXFGDANLMDLCH-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO Brc1cnc(C[NH2+][C@H]2CCCSCC2)s1 ZINC000713638020 661193033 /nfs/dbraw/zinc/19/30/33/661193033.db2.gz ONZWUOXTJZUXQK-QMMMGPOBSA-N 1 0 307.282 3.281 10 0 DGAERO Cn1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c(Br)n1 ZINC000713860504 661194906 /nfs/dbraw/zinc/19/49/06/661194906.db2.gz PTCCZLLGSJCTGD-LLVKDONJSA-N 1 0 300.244 3.051 10 0 DGAERO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@]1(C)CCCS1 ZINC000309709815 655877003 /nfs/dbraw/zinc/87/70/03/655877003.db2.gz JLEVPBUMVZXFIH-IUODEOHRSA-N 1 0 302.484 3.023 10 0 DGAERO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000714342795 661198633 /nfs/dbraw/zinc/19/86/33/661198633.db2.gz RRXNXMXVIGEVFV-SNVBAGLBSA-N 1 0 322.257 3.050 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(Cl)nc1Cl ZINC000235362306 655886057 /nfs/dbraw/zinc/88/60/57/655886057.db2.gz ROOUORMCXQCQBM-DGCLKSJQSA-N 1 0 314.260 3.447 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1csc(Cl)c1 ZINC000714377259 661199275 /nfs/dbraw/zinc/19/92/75/661199275.db2.gz UNBXZLWJZPDXRY-MWLCHTKSSA-N 1 0 307.868 3.019 10 0 DGAERO CSc1ccc([C@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)cc1 ZINC000714363665 661199338 /nfs/dbraw/zinc/19/93/38/661199338.db2.gz AEUVOHQGXJVPBM-SWLSCSKDSA-N 1 0 313.488 3.026 10 0 DGAERO CSC1(C[NH2+]Cc2nc(Br)c[nH]2)CCCCC1 ZINC000310259350 655892768 /nfs/dbraw/zinc/89/27/68/655892768.db2.gz HKEQIAVEBFPKTH-UHFFFAOYSA-N 1 0 318.284 3.328 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000714622627 661200117 /nfs/dbraw/zinc/20/01/17/661200117.db2.gz AGOLJPLTHDYHQV-UEKVPHQBSA-N 1 0 310.235 3.451 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000714451801 661200799 /nfs/dbraw/zinc/20/07/99/661200799.db2.gz XWQFJSGNAHBOSU-PHIMTYICSA-N 1 0 302.187 3.103 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000714460478 661201185 /nfs/dbraw/zinc/20/11/85/661201185.db2.gz SMIMZRYAZSXOIA-ZBINZKHDSA-N 1 0 310.235 3.451 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000714700969 661202406 /nfs/dbraw/zinc/20/24/06/661202406.db2.gz QRRLWMSLUAXZKJ-XYPYZODXSA-N 1 0 302.187 3.103 10 0 DGAERO CCC1([NH3+])CCN(Cc2ccc(F)cc2Br)CC1 ZINC000714753512 661203415 /nfs/dbraw/zinc/20/34/15/661203415.db2.gz BQZAAZTXWUZJKC-UHFFFAOYSA-N 1 0 315.230 3.292 10 0 DGAERO CCC1([NH3+])CCN(Cc2csc(Br)c2)CC1 ZINC000714759178 661203486 /nfs/dbraw/zinc/20/34/86/661203486.db2.gz NLXPYPDXIIXAIF-UHFFFAOYSA-N 1 0 303.269 3.214 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000066125264 655933459 /nfs/dbraw/zinc/93/34/59/655933459.db2.gz TUTAOQZYTHJXOP-GFCCVEGCSA-N 1 0 319.836 3.348 10 0 DGAERO CCC(CC)(C[NH2+]Cc1nc(Br)c[nH]1)SC ZINC000309292287 655949118 /nfs/dbraw/zinc/94/91/18/655949118.db2.gz WIAZOISKLVRRBF-UHFFFAOYSA-N 1 0 306.273 3.184 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000177929815 655950476 /nfs/dbraw/zinc/95/04/76/655950476.db2.gz LGUJGQVZHJPWFX-CHWSQXEVSA-N 1 0 313.445 3.254 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)/C(C)=C\c2ccc(F)cc2)CC1 ZINC000255911250 655965847 /nfs/dbraw/zinc/96/58/47/655965847.db2.gz BQWJUHZYYJAWCN-PFONDFGASA-N 1 0 318.436 3.467 10 0 DGAERO O[C@H](C[C@H]1COCC[N@@H+]1CC1CCCCCC1)c1ccco1 ZINC000180721658 655968319 /nfs/dbraw/zinc/96/83/19/655968319.db2.gz OCTQMPRSRVUAJU-DLBZAZTESA-N 1 0 307.434 3.374 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000715132191 661209569 /nfs/dbraw/zinc/20/95/69/661209569.db2.gz NOAZWESJWVNYRS-IHRRRGAJSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(S(C)(=O)=O)cc1 ZINC000715623763 661213349 /nfs/dbraw/zinc/21/33/49/661213349.db2.gz RCXCSFLCOTVZHS-OCCSQVGLSA-N 1 0 313.488 3.026 10 0 DGAERO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cscc1Br ZINC000309570748 656025619 /nfs/dbraw/zinc/02/56/19/656025619.db2.gz NOTZKIRKFREPDD-UWVGGRQHSA-N 1 0 304.253 3.415 10 0 DGAERO CCCn1cc([C@H](C)[NH2+]C[C@H](C)COCc2ccccc2)nn1 ZINC000715891985 661215682 /nfs/dbraw/zinc/21/56/82/661215682.db2.gz CHRBTXGQYMGLGU-HOTGVXAUSA-N 1 0 316.449 3.192 10 0 DGAERO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000309801691 656057953 /nfs/dbraw/zinc/05/79/53/656057953.db2.gz JZQXQPQALQRWLL-MXWKQRLJSA-N 1 0 311.426 3.244 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccccc1Cl ZINC000177753385 656077598 /nfs/dbraw/zinc/07/75/98/656077598.db2.gz IVDSGYRCXQUVEB-ZHANPKHBSA-N 1 0 318.848 3.438 10 0 DGAERO O[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)c1ccc(F)cc1 ZINC000716284354 661221020 /nfs/dbraw/zinc/22/10/20/661221020.db2.gz KOFRAOVTSGTPQO-ACBHZAAOSA-N 1 0 315.388 3.197 10 0 DGAERO C[C@H]([NH3+])c1nc(-c2nc([C@H]3CCC(F)(F)C3)no2)cs1 ZINC000312152738 656102066 /nfs/dbraw/zinc/10/20/66/656102066.db2.gz ATXBNUIMNZKDLM-BQBZGAKWSA-N 1 0 300.334 3.116 10 0 DGAERO CC[C@@H](C)OCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183184156 656111348 /nfs/dbraw/zinc/11/13/48/656111348.db2.gz IMDCFBYJNUHELN-NVXWUHKLSA-N 1 0 305.418 3.009 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000309951093 656111682 /nfs/dbraw/zinc/11/16/82/656111682.db2.gz GGKJFOADIWNEMR-MQYQWHSLSA-N 1 0 314.495 3.021 10 0 DGAERO COC[C@H]([NH2+]C[C@H](O)c1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184696374 656120657 /nfs/dbraw/zinc/12/06/57/656120657.db2.gz YIXQXYRCSZSTCZ-IRXDYDNUSA-N 1 0 303.402 3.216 10 0 DGAERO CCOc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000309902624 656125567 /nfs/dbraw/zinc/12/55/67/656125567.db2.gz PIKDMBHGYMVRRD-KGLIPLIRSA-N 1 0 322.449 3.477 10 0 DGAERO C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000716605256 661227215 /nfs/dbraw/zinc/22/72/15/661227215.db2.gz OOPHJQBOFHRGBI-SECBINFHSA-N 1 0 301.217 3.111 10 0 DGAERO CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(C)no1 ZINC000310013496 656131530 /nfs/dbraw/zinc/13/15/30/656131530.db2.gz MBFZLQQHGIDYOQ-ZDUSSCGKSA-N 1 0 311.426 3.156 10 0 DGAERO CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000186462920 656131932 /nfs/dbraw/zinc/13/19/32/656131932.db2.gz URHFONWAAKMSCR-GDBMZVCRSA-N 1 0 318.417 3.029 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)C1 ZINC000716857294 661229898 /nfs/dbraw/zinc/22/98/98/661229898.db2.gz JETGBNMETBRXFJ-CABCVRRESA-N 1 0 324.465 3.077 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000716941749 661234480 /nfs/dbraw/zinc/23/44/80/661234480.db2.gz HZSFHVXTPYKDBZ-CMPLNLGQSA-N 1 0 316.239 3.097 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)ccc1OC ZINC000716946323 661234695 /nfs/dbraw/zinc/23/46/95/661234695.db2.gz QRIZGJQAQZAMQF-MFKMUULPSA-N 1 0 316.239 3.097 10 0 DGAERO O=C(C[C@H]1CCCOC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000195278828 656211603 /nfs/dbraw/zinc/21/16/03/656211603.db2.gz ZYVCZFZSZONYKC-MRXNPFEDSA-N 1 0 302.418 3.038 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717154010 661255822 /nfs/dbraw/zinc/25/58/22/661255822.db2.gz OJQJMGUFVMOGDN-JHJVBQTASA-N 1 0 318.408 3.267 10 0 DGAERO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cscc1C(F)F ZINC000717205979 661256962 /nfs/dbraw/zinc/25/69/62/661256962.db2.gz DVFYILYFPZSXHP-VIFPVBQESA-N 1 0 300.374 3.090 10 0 DGAERO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1O ZINC000245869938 656393574 /nfs/dbraw/zinc/39/35/74/656393574.db2.gz RFEGZYMZHKSSNQ-WMLDXEAASA-N 1 0 309.837 3.481 10 0 DGAERO Brc1ccoc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722316303 656422183 /nfs/dbraw/zinc/42/21/83/656422183.db2.gz PKOXBCNCIUYKIC-JQWIXIFHSA-N 1 0 300.196 3.089 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000037621770 661268119 /nfs/dbraw/zinc/26/81/19/661268119.db2.gz IVZFKWIYSLEOAB-YGRLFVJLSA-N 1 0 313.239 3.144 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)C2)cc1 ZINC000723633506 656496641 /nfs/dbraw/zinc/49/66/41/656496641.db2.gz PAXZWKKDXHQEDO-WCIQWLHISA-N 1 0 314.473 3.056 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(Cl)c1Cl ZINC000724621996 656524613 /nfs/dbraw/zinc/52/46/13/656524613.db2.gz ZUDDZLOEDDRLBU-BIAAXOCRSA-N 1 0 316.228 3.448 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(Cl)nc1Cl ZINC000233516098 656938247 /nfs/dbraw/zinc/93/82/47/656938247.db2.gz LNFNIIHXURYRQY-LBPRGKRZSA-N 1 0 302.249 3.305 10 0 DGAERO c1ccc(COc2cccc(C[NH2+]CC[C@H]3CCCO3)c2)nc1 ZINC000236605310 656955908 /nfs/dbraw/zinc/95/59/08/656955908.db2.gz MUNBFSLBGYYSLG-GOSISDBHSA-N 1 0 312.413 3.319 10 0 DGAERO Cc1c2cc(C)c(C)cc2oc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222555206 657077810 /nfs/dbraw/zinc/07/78/10/657077810.db2.gz RBAADLXGEUYZLP-MRXNPFEDSA-N 1 0 312.413 3.182 10 0 DGAERO C[C@@H](C[NH3+])c1noc(-c2cc(Br)ccc2Cl)n1 ZINC000054158919 657121211 /nfs/dbraw/zinc/12/12/11/657121211.db2.gz GTYTXAGKYIOXRX-LURJTMIESA-N 1 0 316.586 3.215 10 0 DGAERO C[C@@H]([NH3+])CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000261887328 657160566 /nfs/dbraw/zinc/16/05/66/657160566.db2.gz SRXPZCMIPGBFLM-SECBINFHSA-N 1 0 309.822 3.063 10 0 DGAERO C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000261973817 657269185 /nfs/dbraw/zinc/26/91/85/657269185.db2.gz QLJCRDOBLVEULK-GHMZBOCLSA-N 1 0 315.339 3.215 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nc(Cl)ccc1Cl ZINC000094446033 657396646 /nfs/dbraw/zinc/39/66/46/657396646.db2.gz HTLFSEXRIAPFCP-VXGBXAGGSA-N 1 0 314.260 3.447 10 0 DGAERO C/C(=C/c1ccco1)C[N@H+](C)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000096801591 657555881 /nfs/dbraw/zinc/55/58/81/657555881.db2.gz AATDZIYOLFYAGK-IZNAZMGOSA-N 1 0 316.445 3.406 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](c2nc(Cc3ccccc3Br)no2)C1 ZINC000097068265 657591458 /nfs/dbraw/zinc/59/14/58/657591458.db2.gz NXYMNZDBBGRJLT-GHMZBOCLSA-N 1 0 322.206 3.018 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000304277527 657617952 /nfs/dbraw/zinc/61/79/52/657617952.db2.gz LPVURULRVLOTDE-KGLIPLIRSA-N 1 0 322.449 3.168 10 0 DGAERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(Br)s1 ZINC000720430942 657707034 /nfs/dbraw/zinc/70/70/34/657707034.db2.gz YAMHJOKRRINQNP-NWDGAFQWSA-N 1 0 315.280 3.179 10 0 DGAERO COC(=O)[C@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000722109643 657726091 /nfs/dbraw/zinc/72/60/91/657726091.db2.gz MXEFEKCUBQNZNT-YGRLFVJLSA-N 1 0 316.228 3.277 10 0 DGAERO Clc1ccsc1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000720471536 657755708 /nfs/dbraw/zinc/75/57/08/657755708.db2.gz IQUXVMHOSBKDHF-RYUDHWBXSA-N 1 0 302.896 3.071 10 0 DGAERO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000098144326 657941265 /nfs/dbraw/zinc/94/12/65/657941265.db2.gz MOFNEYWCRMGXIT-CQSZACIVSA-N 1 0 316.445 3.381 10 0 DGAERO CSC1CCC(C[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000720603185 658010596 /nfs/dbraw/zinc/01/05/96/658010596.db2.gz PGVPTCDXWAZANX-UHFFFAOYSA-N 1 0 316.511 3.413 10 0 DGAERO Cc1occc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000321066098 658052125 /nfs/dbraw/zinc/05/21/25/658052125.db2.gz MXIUTSCCUNWYIL-HIFRSBDPSA-N 1 0 308.422 3.371 10 0 DGAERO Cc1cnccc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721848507 658124252 /nfs/dbraw/zinc/12/42/52/658124252.db2.gz NEYARDPZUUMHQS-OAHLLOKOSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@@H](CC[NH2+]CCc1cc(Cl)cc(Cl)c1)[S@](C)=O ZINC000722145554 658275494 /nfs/dbraw/zinc/27/54/94/658275494.db2.gz UKVCPRBOISAWIP-YPMLDQLKSA-N 1 0 308.274 3.283 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1cccnc1 ZINC000721872112 658310349 /nfs/dbraw/zinc/31/03/49/658310349.db2.gz LZKRDTOQGAMNBA-DZGCQCFKSA-N 1 0 319.449 3.378 10 0 DGAERO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1 ZINC000721232939 658706767 /nfs/dbraw/zinc/70/67/67/658706767.db2.gz FGJXRCUORBJVBW-HKUYNNGSSA-N 1 0 313.445 3.369 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2csc(N)n2)C[C@H]1OCc1ccccc1 ZINC000721335416 658726790 /nfs/dbraw/zinc/72/67/90/658726790.db2.gz HNLNKDNFLHUADX-HUUCEWRRSA-N 1 0 317.458 3.199 10 0 DGAERO CC[S@@](=O)CC[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000166053724 658825762 /nfs/dbraw/zinc/82/57/62/658825762.db2.gz MAYBLLCAQPGRPM-RXVVDRJESA-N 1 0 301.455 3.443 10 0 DGAERO Cc1cc(NCc2ccc(CC[NH3+])cc2)ncc1Br ZINC000166145647 659017667 /nfs/dbraw/zinc/01/76/67/659017667.db2.gz SMKWCAWLUXZBKL-UHFFFAOYSA-N 1 0 320.234 3.266 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000224501167 659019996 /nfs/dbraw/zinc/01/99/96/659019996.db2.gz HTMPVMLVGMSHBA-CQSZACIVSA-N 1 0 320.433 3.403 10 0 DGAERO CC(C)[NH+]1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000225800353 659083149 /nfs/dbraw/zinc/08/31/49/659083149.db2.gz DLFABYCOUJXVRC-UHFFFAOYSA-N 1 0 307.747 3.284 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1nccs1 ZINC000225811272 659083282 /nfs/dbraw/zinc/08/32/82/659083282.db2.gz ZBJDVJZWDSUXQH-UHFFFAOYSA-N 1 0 313.467 3.316 10 0 DGAERO C[C@H]1CN(c2cc(C(F)(F)F)cc(Cl)n2)C[C@@H]1[NH+](C)C ZINC000225825339 659084430 /nfs/dbraw/zinc/08/44/30/659084430.db2.gz UNWAFRSYGADRBI-WPRPVWTQSA-N 1 0 307.747 3.140 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000229072944 659234811 /nfs/dbraw/zinc/23/48/11/659234811.db2.gz OVDGYWWZRFNVFZ-CVEARBPZSA-N 1 0 304.434 3.470 10 0 DGAERO CN(c1ccccc1)C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000170777357 659236445 /nfs/dbraw/zinc/23/64/45/659236445.db2.gz ITWIGFIZNFBENV-OAQYLSRUSA-N 1 0 324.468 3.495 10 0 DGAERO COc1ccc(C[NH2+]Cc2cc(C)c(OC)c(C)c2)cc1O ZINC000171134363 659262591 /nfs/dbraw/zinc/26/25/91/659262591.db2.gz WYKZCKKDKMKRQX-UHFFFAOYSA-N 1 0 301.386 3.316 10 0 DGAERO OCC[C@H]1CN(C/C=C\c2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000229588727 659270684 /nfs/dbraw/zinc/27/06/84/659270684.db2.gz QUOSOKINFHFVDH-NSDNCLLMSA-N 1 0 314.473 3.011 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000230166608 659313913 /nfs/dbraw/zinc/31/39/13/659313913.db2.gz UJTBBPDCRXLQNW-NSHDSACASA-N 1 0 314.813 3.280 10 0 DGAERO Brc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084649 659363828 /nfs/dbraw/zinc/36/38/28/659363828.db2.gz XOQIRBFCKMZBNF-SNVBAGLBSA-N 1 0 322.206 3.041 10 0 DGAERO Cc1nn(CN(C[C@@H]2CCCO2)C2CCCC2)c(=S)s1 ZINC000172952370 659366822 /nfs/dbraw/zinc/36/68/22/659366822.db2.gz GZPIPYOMVXENDG-ZDUSSCGKSA-N 1 0 313.492 3.364 10 0 DGAERO Cc1cccc([C@@H]2CCCC[N@@H+]2CN2CCOC2=S)c1C ZINC000173426746 659385986 /nfs/dbraw/zinc/38/59/86/659385986.db2.gz INRBJGTWJQKUBZ-INIZCTEOSA-N 1 0 304.459 3.405 10 0 DGAERO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1scnc1Cl ZINC000721963899 659494192 /nfs/dbraw/zinc/49/41/92/659494192.db2.gz SFGJXNSCYVBALE-QJPTWQEYSA-N 1 0 300.855 3.312 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCSC(C)(C)C)[C@@H](C)C1 ZINC000245551895 659517146 /nfs/dbraw/zinc/51/71/46/659517146.db2.gz PJVGQAQCKSTRAM-LSDHHAIUSA-N 1 0 314.539 3.487 10 0 DGAERO Cc1cc(C)cc([C@H](O)CN2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000174747491 659623833 /nfs/dbraw/zinc/62/38/33/659623833.db2.gz RSFQCSYYVYVZNR-LJQANCHMSA-N 1 0 318.505 3.391 10 0 DGAERO Cc1noc(C)c1C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000237620645 659932738 /nfs/dbraw/zinc/93/27/38/659932738.db2.gz MPGOXPDHIHUVOP-GOSISDBHSA-N 1 0 313.445 3.436 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000179932452 659946467 /nfs/dbraw/zinc/94/64/67/659946467.db2.gz CXYSYOMNTKLRFL-OAHLLOKOSA-N 1 0 324.852 3.235 10 0 DGAERO COc1cccc2[nH]cc(CC[NH2+]Cc3ccc4c[nH]nc4c3)c21 ZINC000180452895 659962677 /nfs/dbraw/zinc/96/26/77/659962677.db2.gz BVKONHMDZHMFSH-UHFFFAOYSA-N 1 0 320.396 3.385 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000180642649 659967265 /nfs/dbraw/zinc/96/72/65/659967265.db2.gz DJIZFFQJEJSULA-NJZAAPMLSA-N 1 0 322.453 3.062 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C1CCN(CCc3ccccc3)CC1)CCC2 ZINC000353443940 659982501 /nfs/dbraw/zinc/98/25/01/659982501.db2.gz DZAXXCLTOCEKLV-IBGZPJMESA-N 1 0 324.472 3.084 10 0 DGAERO C[C@H]([NH2+]CCCc1ccccn1)c1ccc(N2CCCC2=O)cc1 ZINC000181487045 660002773 /nfs/dbraw/zinc/00/27/73/660002773.db2.gz BKZVSMPMWKNKFU-INIZCTEOSA-N 1 0 323.440 3.492 10 0 DGAERO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CN1CCOC1=S ZINC000069689670 660015479 /nfs/dbraw/zinc/01/54/79/660015479.db2.gz ZXXRKBGTNQLJKY-HOTGVXAUSA-N 1 0 304.459 3.219 10 0 DGAERO CN(CC[N@H+](C)Cc1ccc(F)cc1)Cc1ccc(Cl)nc1 ZINC000181732713 660017299 /nfs/dbraw/zinc/01/72/99/660017299.db2.gz BSEIWTYBTRIVDX-UHFFFAOYSA-N 1 0 321.827 3.438 10 0 DGAERO CCCCC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182287599 660041282 /nfs/dbraw/zinc/04/12/82/660041282.db2.gz LDQPRRXPOKWBOG-KGLIPLIRSA-N 1 0 320.433 3.151 10 0 DGAERO COC[C@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184696410 660182147 /nfs/dbraw/zinc/18/21/47/660182147.db2.gz YIXQXYRCSZSTCZ-DLBZAZTESA-N 1 0 303.402 3.216 10 0 DGAERO COC[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000187433151 661583424 /nfs/dbraw/zinc/58/34/24/661583424.db2.gz NTDLDEQEYVGTMZ-WBVHZDCISA-N 1 0 303.402 3.098 10 0 DGAERO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccnc1Cl ZINC000156233683 661860706 /nfs/dbraw/zinc/86/07/06/661860706.db2.gz ZFTZHADYGMZHPX-ZDUSSCGKSA-N 1 0 316.836 3.450 10 0 DGAERO CC[N@H+](CCc1nccs1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000159381014 661886956 /nfs/dbraw/zinc/88/69/56/661886956.db2.gz GDNCLNKNQVTZRP-INIZCTEOSA-N 1 0 304.459 3.358 10 0 DGAERO COC(=O)N1CCC([C@H](C)[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000188645620 661938314 /nfs/dbraw/zinc/93/83/14/661938314.db2.gz JCNQCUIIZGFUAN-CVEARBPZSA-N 1 0 318.461 3.322 10 0 DGAERO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccncc2OC)c1O ZINC000189009841 661958844 /nfs/dbraw/zinc/95/88/44/661958844.db2.gz OBXOTRCAIYUHSZ-JTQLQIEISA-N 1 0 322.792 3.309 10 0 DGAERO COc1ccc2c(c1)C(=O)N(C[N@H+](CCC(C)C)C1CC1)C2 ZINC000189705699 661988499 /nfs/dbraw/zinc/98/84/99/661988499.db2.gz BRYFGGJBULJNEW-UHFFFAOYSA-N 1 0 302.418 3.119 10 0 DGAERO Cc1nn(C)c(Cl)c1C[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000190396426 662030936 /nfs/dbraw/zinc/03/09/36/662030936.db2.gz GLBYAOJCVNBXSD-UHFFFAOYSA-N 1 0 307.825 3.037 10 0 DGAERO Cc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](C3CC3)CC1)[C@@H](C)C2 ZINC000192817246 662112137 /nfs/dbraw/zinc/11/21/37/662112137.db2.gz WHHLOUXWIWGMQN-IFXJQAMLSA-N 1 0 312.457 3.219 10 0 DGAERO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000194545967 662168535 /nfs/dbraw/zinc/16/85/35/662168535.db2.gz WUCBUZDNQSWGAC-RHSMWYFYSA-N 1 0 312.454 3.208 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000195186409 662179854 /nfs/dbraw/zinc/17/98/54/662179854.db2.gz SVITYICUAAOSCC-KDOFPFPSSA-N 1 0 319.449 3.379 10 0 DGAERO CCC[C@@H](C[NH2+]Cc1nc(C)c(Br)s1)OC ZINC000719215127 662271510 /nfs/dbraw/zinc/27/15/10/662271510.db2.gz FSLPUYHPVBQBDN-VIFPVBQESA-N 1 0 307.257 3.119 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(C(F)(F)F)s1 ZINC000717989492 662213099 /nfs/dbraw/zinc/21/30/99/662213099.db2.gz LZDKDHUIGBYEKK-IUCAKERBSA-N 1 0 306.353 3.038 10 0 DGAERO COC[C@H](CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1)OC ZINC000717959497 662213369 /nfs/dbraw/zinc/21/33/69/662213369.db2.gz WOXCAHSIECWWHC-UWVGGRQHSA-N 1 0 311.369 3.469 10 0 DGAERO CON1CCC([NH2+][C@H](C)c2ccc(C(F)(F)F)s2)CC1 ZINC000717958409 662213445 /nfs/dbraw/zinc/21/34/45/662213445.db2.gz QVQRRKWDPSUQSZ-SECBINFHSA-N 1 0 308.369 3.443 10 0 DGAERO Cc1coc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1 ZINC000718082813 662221823 /nfs/dbraw/zinc/22/18/23/662221823.db2.gz AIMBQAKXOPQTOR-KKUMJFAQSA-N 1 0 320.433 3.466 10 0 DGAERO CO[C@](C)(C[NH2+]Cc1cc(C)co1)COCc1ccccc1 ZINC000718091139 662221924 /nfs/dbraw/zinc/22/19/24/662221924.db2.gz BFDGPPMTVLEXJJ-GOSISDBHSA-N 1 0 303.402 3.300 10 0 DGAERO Cc1ccc(Br)cc1-c1noc(CC2CC([NH3+])C2)n1 ZINC000718138098 662231709 /nfs/dbraw/zinc/23/17/09/662231709.db2.gz VYXCPCNJWUSMFG-UHFFFAOYSA-N 1 0 322.206 3.087 10 0 DGAERO C[C@](O)(C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000245512017 662234321 /nfs/dbraw/zinc/23/43/21/662234321.db2.gz MXUFEHXBIBXFAK-SFTDATJTSA-N 1 0 323.436 3.068 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1SC(F)F ZINC000089449005 662243641 /nfs/dbraw/zinc/24/36/41/662243641.db2.gz YPXFFPVVSWSROP-ZJUUUORDSA-N 1 0 300.374 3.315 10 0 DGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000089629235 662246187 /nfs/dbraw/zinc/24/61/87/662246187.db2.gz ALHRXOGRMICBNH-UONOGXRCSA-N 1 0 303.512 3.394 10 0 DGAERO C[N@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)[C@@H](CO)C(C)(C)C ZINC000246134916 662248057 /nfs/dbraw/zinc/24/80/57/662248057.db2.gz KZVLFSMFWUGNPN-ZBFHGGJFSA-N 1 0 324.852 3.172 10 0 DGAERO CCOc1cc(C[NH2+]Cc2cnc(Cl)s2)ccc1OC ZINC000718205574 662249935 /nfs/dbraw/zinc/24/99/35/662249935.db2.gz WBJYGSRXWDGXMI-UHFFFAOYSA-N 1 0 312.822 3.494 10 0 DGAERO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000718506096 662257226 /nfs/dbraw/zinc/25/72/26/662257226.db2.gz ZHJCOCNCNVVVQU-UEJVZZJDSA-N 1 0 319.207 3.437 10 0 DGAERO CC[C@H](C[NH2+][C@H]1CCC[C@H](OC)CC1)NC(=O)OC(C)(C)C ZINC000718738080 662261133 /nfs/dbraw/zinc/26/11/33/662261133.db2.gz WUBBEVCSMAUBBE-ILXRZTDVSA-N 1 0 314.470 3.227 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000718766545 662261411 /nfs/dbraw/zinc/26/14/11/662261411.db2.gz XPYNNJNWHIVVNU-CBBWQLFWSA-N 1 0 314.470 3.225 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000718791036 662262116 /nfs/dbraw/zinc/26/21/16/662262116.db2.gz PNRBUHJGGFQIEC-QLFBSQMISA-N 1 0 314.470 3.085 10 0 DGAERO C[C@@H]1CC[C@H](CCC(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000246638630 662268419 /nfs/dbraw/zinc/26/84/19/662268419.db2.gz VLCFBCFHHDIQNU-NXHRZFHOSA-N 1 0 317.429 3.152 10 0 DGAERO C[C@H](CSC(C)(C)C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000090666125 662271038 /nfs/dbraw/zinc/27/10/38/662271038.db2.gz XEXXCXYAYFVDNN-SECBINFHSA-N 1 0 309.401 3.449 10 0 DGAERO CO[C@@]1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCSC1 ZINC000719204655 662271616 /nfs/dbraw/zinc/27/16/16/662271616.db2.gz RGPGFFVBOQQITC-DZGCQCFKSA-N 1 0 313.463 3.474 10 0 DGAERO CO[C@]1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCSC1 ZINC000719204658 662271709 /nfs/dbraw/zinc/27/17/09/662271709.db2.gz RGPGFFVBOQQITC-HIFRSBDPSA-N 1 0 313.463 3.474 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)sc1Br ZINC000719242065 662271874 /nfs/dbraw/zinc/27/18/74/662271874.db2.gz WPJQOKDUQWRQDM-PSASIEDQSA-N 1 0 319.268 3.119 10 0 DGAERO CC1(C)CCCCC[C@@H]1[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000719273976 662272241 /nfs/dbraw/zinc/27/22/41/662272241.db2.gz DNZISMWYROIXGA-AWEZNQCLSA-N 1 0 301.496 3.150 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2nc(C(C)(C)C)cs2)CCSC1 ZINC000719313338 662273397 /nfs/dbraw/zinc/27/33/97/662273397.db2.gz HPVFCSOAVPTZDP-CQSZACIVSA-N 1 0 300.493 3.052 10 0 DGAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Br ZINC000719460248 662288810 /nfs/dbraw/zinc/28/88/10/662288810.db2.gz IBPCTSDOOMUIAY-KCJUWKMLSA-N 1 0 304.615 3.370 10 0 DGAERO Cc1c(C[NH2+]Cc2ccc(C)c(Br)c2C)cnn1C ZINC000719523858 662291688 /nfs/dbraw/zinc/29/16/88/662291688.db2.gz JQXKTVRZYNGPIH-UHFFFAOYSA-N 1 0 322.250 3.398 10 0 DGAERO C[NH2+]CCCCc1nc(-c2ccc(Br)cc2)no1 ZINC000719701024 662296175 /nfs/dbraw/zinc/29/61/75/662296175.db2.gz PJLWFSZXQSCMEF-UHFFFAOYSA-N 1 0 310.195 3.041 10 0 DGAERO C[C@@H]1[C@@H](Nc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000719758967 662296618 /nfs/dbraw/zinc/29/66/18/662296618.db2.gz FZQKESJIBVBPMI-SCZZXKLOSA-N 1 0 310.195 3.095 10 0 DGAERO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccsc2Br)C1 ZINC000719709951 662297065 /nfs/dbraw/zinc/29/70/65/662297065.db2.gz HSDSEGKWLNDDBE-LLVKDONJSA-N 1 0 318.280 3.494 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000720149555 662303109 /nfs/dbraw/zinc/30/31/09/662303109.db2.gz NXZVGBCNUFYTLB-MELADBBJSA-N 1 0 314.470 3.035 10 0 DGAERO CC1CCC(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000092040623 662326641 /nfs/dbraw/zinc/32/66/41/662326641.db2.gz PWZADBHHMROMDG-BACDZXNISA-N 1 0 307.434 3.230 10 0 DGAERO COc1cc(Br)ccc1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000712324395 685275294 /nfs/dbraw/zinc/27/52/94/685275294.db2.gz AIUPCCWFZCNRJN-MNOVXSKESA-N 1 0 313.239 3.258 10 0 DGAERO COc1cc(Br)ccc1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000712324411 685275616 /nfs/dbraw/zinc/27/56/16/685275616.db2.gz AIUPCCWFZCNRJN-QWRGUYRKSA-N 1 0 313.239 3.258 10 0 DGAERO C[C@@H](F)CC[NH2+]Cc1ccccc1I ZINC000378850172 685145484 /nfs/dbraw/zinc/14/54/84/685145484.db2.gz DOXOBNJMSSSMFO-SECBINFHSA-N 1 0 307.150 3.129 10 0 DGAERO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1Br ZINC000381055716 685154950 /nfs/dbraw/zinc/15/49/50/685154950.db2.gz LJWBHOAJVAXUET-AKXRQVIESA-N 1 0 321.262 3.096 10 0 DGAERO CCSCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000381502521 685157481 /nfs/dbraw/zinc/15/74/81/685157481.db2.gz HMAPLFXDEWLZCN-OLZOCXBDSA-N 1 0 302.484 3.165 10 0 DGAERO Cc1nc(Cl)cc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000381878460 685160503 /nfs/dbraw/zinc/16/05/03/685160503.db2.gz NVAGSKYWIZHFIK-OAHLLOKOSA-N 1 0 316.836 3.149 10 0 DGAERO COc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000381906012 685160825 /nfs/dbraw/zinc/16/08/25/685160825.db2.gz ISUAUYLZVIFUTD-AATRIKPKSA-N 1 0 324.396 3.005 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000382043911 685161736 /nfs/dbraw/zinc/16/17/36/685161736.db2.gz VCCQULCVLULABC-BHDPWAOGSA-N 1 0 308.466 3.412 10 0 DGAERO Cc1ccncc1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000389499381 685194684 /nfs/dbraw/zinc/19/46/84/685194684.db2.gz VMCUZASWJXRDTD-HNNXBMFYSA-N 1 0 310.319 3.232 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CS1 ZINC000389808697 685196543 /nfs/dbraw/zinc/19/65/43/685196543.db2.gz DMHLSAUYBKZJGE-MQYQWHSLSA-N 1 0 314.495 3.116 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000390794463 685205025 /nfs/dbraw/zinc/20/50/25/685205025.db2.gz YVRQJKYMCDTGHC-GHMZBOCLSA-N 1 0 314.376 3.356 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000390794468 685206408 /nfs/dbraw/zinc/20/64/08/685206408.db2.gz YVRQJKYMCDTGHC-QWRGUYRKSA-N 1 0 314.376 3.356 10 0 DGAERO C[N@H+](C[C@@](C)(O)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000394223859 685221531 /nfs/dbraw/zinc/22/15/31/685221531.db2.gz BMLUZXFJRLMFAZ-LEWJYISDSA-N 1 0 324.468 3.100 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC000394639964 685222562 /nfs/dbraw/zinc/22/25/62/685222562.db2.gz YWQSEKBUSOTZMH-QWRGUYRKSA-N 1 0 314.376 3.356 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CSC1)C1CCCCC1 ZINC000396453635 685227439 /nfs/dbraw/zinc/22/74/39/685227439.db2.gz OJCCJYCKILRCTC-AWEZNQCLSA-N 1 0 314.495 3.165 10 0 DGAERO Cc1ccc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cc1F ZINC000397639495 685230613 /nfs/dbraw/zinc/23/06/13/685230613.db2.gz RCTZHNODOCXHEU-UHFFFAOYSA-N 1 0 308.397 3.091 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CCCC2(F)F)CC1 ZINC000398133633 685235211 /nfs/dbraw/zinc/23/52/11/685235211.db2.gz KICJYGHQZBNLAW-CYBMUJFWSA-N 1 0 318.408 3.411 10 0 DGAERO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CC2(Cl)Cl)cc1 ZINC000399086798 685239214 /nfs/dbraw/zinc/23/92/14/685239214.db2.gz ZXUIXKXRBWJHRE-NSHDSACASA-N 1 0 303.189 3.311 10 0 DGAERO Brc1ccccc1C[NH2+]CCOc1cccnc1 ZINC000114507668 1176012134 /nfs/dbraw/zinc/01/21/34/1176012134.db2.gz CICYJAYWMVQNEW-UHFFFAOYSA-N 1 0 307.191 3.013 10 0 DGAERO Ic1ccc(C[NH2+][C@H]2CC=CCC2)cc1 ZINC000084067277 1176404741 /nfs/dbraw/zinc/40/47/41/1176404741.db2.gz LZYVMMAFYUNTFX-ZDUSSCGKSA-N 1 0 313.182 3.490 10 0 DGAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC[C@H]1CCOC1 ZINC000390788011 1176429778 /nfs/dbraw/zinc/42/97/78/1176429778.db2.gz ZZBDJFYTGJPEQZ-CABCVRRESA-N 1 0 314.470 3.086 10 0 DGAERO Cc1sc(C[NH2+]C[C@@H]2CCCN2C)cc1Br ZINC000226015202 1176579863 /nfs/dbraw/zinc/57/98/63/1176579863.db2.gz KKMJYWPLWXBCAX-JTQLQIEISA-N 1 0 303.269 3.003 10 0 DGAERO CC[S@](=O)CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000394426984 1176746447 /nfs/dbraw/zinc/74/64/47/1176746447.db2.gz VQMMHFJTDVKVFT-QFIPXVFZSA-N 1 0 317.454 3.124 10 0 DGAERO c1cc(C[NH2+]CCOC2CCCCC2)c2c(c1)OCCCO2 ZINC000378955423 1176751762 /nfs/dbraw/zinc/75/17/62/1176751762.db2.gz LPLXLFIWPAHNGI-UHFFFAOYSA-N 1 0 305.418 3.287 10 0 DGAERO CC[S@@](=O)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000378910785 1176752678 /nfs/dbraw/zinc/75/26/78/1176752678.db2.gz IOUBXRJBTSVXBV-JOCHJYFZSA-N 1 0 317.454 3.124 10 0 DGAERO CCC[C@H](C[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC000395192594 1176759131 /nfs/dbraw/zinc/75/91/31/1176759131.db2.gz QXEQKEQGPFXPDW-RRFJBIMHSA-N 1 0 314.470 3.085 10 0 DGAERO CCSCCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397859322 1176780186 /nfs/dbraw/zinc/78/01/86/1176780186.db2.gz XSKRXGNPAGTCCC-STQMWFEESA-N 1 0 316.511 3.411 10 0 DGAERO COC(OC)[C@H](C)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000227586153 1176918665 /nfs/dbraw/zinc/91/86/65/1176918665.db2.gz OBWNJVUJQRVGKS-LBPRGKRZSA-N 1 0 324.421 3.131 10 0 DGAERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000227586149 1176918777 /nfs/dbraw/zinc/91/87/77/1176918777.db2.gz OBWNJVUJQRVGKS-GFCCVEGCSA-N 1 0 324.421 3.131 10 0 DGAERO Cc1nc(C)c(C[NH2+]CCCCNC(=O)OC(C)(C)C)s1 ZINC000397784785 1177011294 /nfs/dbraw/zinc/01/12/94/1177011294.db2.gz QFQPMDFJDVSIAI-UHFFFAOYSA-N 1 0 313.467 3.154 10 0 DGAERO CSC(C)(C)CC[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397783774 1177011747 /nfs/dbraw/zinc/01/17/47/1177011747.db2.gz ABNOGDHCMFFRHV-UHFFFAOYSA-N 1 0 304.500 3.413 10 0 DGAERO CCOc1ccccc1C[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397866658 1177013265 /nfs/dbraw/zinc/01/32/65/1177013265.db2.gz QUZSZSNBVILBNQ-UHFFFAOYSA-N 1 0 322.449 3.480 10 0 DGAERO Cc1cc(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC000398331676 1177018020 /nfs/dbraw/zinc/01/80/20/1177018020.db2.gz IGUOPKHMDSHQNK-DZFIZOCASA-N 1 0 323.396 3.446 10 0 DGAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398711639 1177028163 /nfs/dbraw/zinc/02/81/63/1177028163.db2.gz VPUZOSZUIKGKCK-BFHYXJOUSA-N 1 0 302.459 3.492 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000382660001 1177029516 /nfs/dbraw/zinc/02/95/16/1177029516.db2.gz PUMVYLMQFPOFRP-YLJYHZDGSA-N 1 0 316.489 3.134 10 0 DGAERO O=C(Nc1ccc2cc[nH]c2c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000333011067 1177199512 /nfs/dbraw/zinc/19/95/12/1177199512.db2.gz FVTYPWKAGTVAMT-INIZCTEOSA-N 1 0 312.417 3.260 10 0 DGAERO CC(C)[C@H]1C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CCO1 ZINC000225591157 1177548995 /nfs/dbraw/zinc/54/89/95/1177548995.db2.gz SVCIDRIACWZHSB-HUUCEWRRSA-N 1 0 314.470 3.037 10 0 DGAERO Ic1ccc(C[NH2+]C/C=C\C2CC2)cc1 ZINC000382054179 1177713837 /nfs/dbraw/zinc/71/38/37/1177713837.db2.gz BAVPUSHMJWCLME-UPHRSURJSA-N 1 0 313.182 3.347 10 0 DGAERO c1ccc(COc2ccccc2C[NH2+]CCN2CCCC2)cc1 ZINC000060844500 1195160367 /nfs/dbraw/zinc/16/03/67/1195160367.db2.gz XPPFRBQBZZPRAX-UHFFFAOYSA-N 1 0 310.441 3.451 10 0 DGAERO c1cnn(CCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000067186331 1195603476 /nfs/dbraw/zinc/60/34/76/1195603476.db2.gz YLYLGRZZXMIYJW-UHFFFAOYSA-N 1 0 322.412 3.037 10 0 DGAERO c1cn(CCCC[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000079923700 1196998520 /nfs/dbraw/zinc/99/85/20/1196998520.db2.gz DJYNPDFBIROQRZ-UHFFFAOYSA-N 1 0 312.461 3.443 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC000081491481 1197225161 /nfs/dbraw/zinc/22/51/61/1197225161.db2.gz HREDRYSCHJPIIC-KGLIPLIRSA-N 1 0 311.495 3.051 10 0 DGAERO Cc1cccc(CNC(=O)C[N@@H+](C)[C@@H](C)Cc2ccsc2)c1 ZINC000081598129 1197237974 /nfs/dbraw/zinc/23/79/74/1197237974.db2.gz BGFQXBRDFMXHPF-HNNXBMFYSA-N 1 0 316.470 3.236 10 0 DGAERO O=C(NCC1CC1)C1([NH2+]CCCc2ccccc2)CCCC1 ZINC000085936873 1197582070 /nfs/dbraw/zinc/58/20/70/1197582070.db2.gz JAPNOOVVBIUYAV-UHFFFAOYSA-N 1 0 300.446 3.048 10 0 DGAERO CC[C@](C)(C[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)OC ZINC000322953453 1197689422 /nfs/dbraw/zinc/68/94/22/1197689422.db2.gz SFBDULNLOKTRQE-WMLDXEAASA-N 1 0 316.486 3.475 10 0 DGAERO c1ccc2c(c1)CCN2CCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000378890932 1197701514 /nfs/dbraw/zinc/70/15/14/1197701514.db2.gz LBOZVBZHXZDWFZ-UHFFFAOYSA-N 1 0 324.424 3.000 10 0 DGAERO Cc1n[nH]c(C)c1CNCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379649838 1197703345 /nfs/dbraw/zinc/70/33/45/1197703345.db2.gz PWVJISFBUDLASH-CQSZACIVSA-N 1 0 300.450 3.027 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000380952853 1197703843 /nfs/dbraw/zinc/70/38/43/1197703843.db2.gz RZBOILDDWALRKM-CHWSQXEVSA-N 1 0 310.413 3.260 10 0 DGAERO C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1I ZINC000379641279 1197704012 /nfs/dbraw/zinc/70/40/12/1197704012.db2.gz VFBRDMODYVJJPR-KOLCDFICSA-N 1 0 301.171 3.037 10 0 DGAERO COC(=O)c1sccc1C[NH2+]CCCOCc1ccccc1 ZINC000389968632 1197711255 /nfs/dbraw/zinc/71/12/55/1197711255.db2.gz ZKGUYBZZJMPNTF-UHFFFAOYSA-N 1 0 319.426 3.231 10 0 DGAERO CC[C@H](C)[C@H](C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)OC ZINC000394459034 1197720945 /nfs/dbraw/zinc/72/09/45/1197720945.db2.gz TUAUEFYXYKAWNA-KBPBESRZSA-N 1 0 316.486 3.331 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]C[C@H](C)CN1CCOCC1)C1CC1 ZINC000091344414 1198379172 /nfs/dbraw/zinc/37/91/72/1198379172.db2.gz DTWRWDFSILWHBY-HNAYVOBHSA-N 1 0 302.462 3.004 10 0 DGAERO CCc1nn(C)cc1C[NH2+]CCCCOCc1ccccc1 ZINC000092384178 1198565778 /nfs/dbraw/zinc/56/57/78/1198565778.db2.gz HPZIKUPVYXOMMW-UHFFFAOYSA-N 1 0 301.434 3.069 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000093506819 1198701304 /nfs/dbraw/zinc/70/13/04/1198701304.db2.gz CIPHJLZPSFGDIK-MJGOQNOKSA-N 1 0 301.430 3.476 10 0 DGAERO CCCCOCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093981931 1198743765 /nfs/dbraw/zinc/74/37/65/1198743765.db2.gz WDLSVMUGNTYNQS-UHFFFAOYSA-N 1 0 304.203 3.495 10 0 DGAERO CO[C@@H](C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000400266265 1199348747 /nfs/dbraw/zinc/34/87/47/1199348747.db2.gz KLLBYJBARGPBHQ-OALUTQOASA-N 1 0 302.462 3.056 10 0 DGAERO CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1nn(C)cc1Br ZINC000401631134 1199410692 /nfs/dbraw/zinc/41/06/92/1199410692.db2.gz YMOCHOSOTYWJTC-NEPJUHHUSA-N 1 0 314.271 3.489 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)o1 ZINC000401725109 1199416830 /nfs/dbraw/zinc/41/68/30/1199416830.db2.gz LDQKFRCQEBXBPU-GXTWGEPZSA-N 1 0 308.422 3.323 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CSC2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722680 1199417135 /nfs/dbraw/zinc/41/71/35/1199417135.db2.gz BXYGAWACXBPUOW-UPJWGTAASA-N 1 0 314.495 3.116 10 0 DGAERO CCSCCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401754868 1199417715 /nfs/dbraw/zinc/41/77/15/1199417715.db2.gz ZYXKKBWFHLBXLQ-KGLIPLIRSA-N 1 0 316.511 3.365 10 0 DGAERO C[C@@H]1C[N@H+](CCCCCO)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404326230 1199548338 /nfs/dbraw/zinc/54/83/38/1199548338.db2.gz MQGVOKFMOMYDQU-KURKYZTESA-N 1 0 304.478 3.132 10 0 DGAERO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(I)cc1 ZINC000307186233 1199699742 /nfs/dbraw/zinc/69/97/42/1199699742.db2.gz LLNABGZIZOSLJD-CABZTGNLSA-N 1 0 301.171 3.179 10 0 DGAERO CO[C@@](C)(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1CC1 ZINC000309875620 1199711184 /nfs/dbraw/zinc/71/11/84/1199711184.db2.gz VOEWJLYLYQIUKM-GUYCJALGSA-N 1 0 314.470 3.085 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCCNC(=O)C(C)C)cc1Cl ZINC000120427742 1200146979 /nfs/dbraw/zinc/14/69/79/1200146979.db2.gz ZMQZOJHGSBEZMV-UHFFFAOYSA-N 1 0 324.852 3.157 10 0 DGAERO COc1ccc2c(c1)C[C@H]([NH2+]CCOCc1ccccc1)CC2 ZINC000121491567 1200217866 /nfs/dbraw/zinc/21/78/66/1200217866.db2.gz XKJDPSLYUVMVHR-LJQANCHMSA-N 1 0 311.425 3.359 10 0 DGAERO Oc1ccc(Br)c(C[NH2+]CCOc2ccccc2)c1 ZINC000126233637 1200504670 /nfs/dbraw/zinc/50/46/70/1200504670.db2.gz WKJNPJPLOFYOJN-UHFFFAOYSA-N 1 0 322.202 3.323 10 0 DGAERO c1ccc(-c2cccc(C[NH2+]CCOC[C@@H]3CCCO3)c2)nc1 ZINC000128085775 1200754591 /nfs/dbraw/zinc/75/45/91/1200754591.db2.gz IEIQQSZVVMMGGD-SFHVURJKSA-N 1 0 312.413 3.034 10 0 DGAERO CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC(c2ccccc2Br)C1 ZINC000128340572 1200770349 /nfs/dbraw/zinc/77/03/49/1200770349.db2.gz DIJLOZIQTOBPMF-RLNQVHQUSA-N 1 0 324.262 3.444 10 0 DGAERO COc1cccc([C@@H](C[NH2+]CCCC(F)(F)F)N(C)C)c1 ZINC000130164245 1200852884 /nfs/dbraw/zinc/85/28/84/1200852884.db2.gz WMTYROMOUKXJMF-CQSZACIVSA-N 1 0 304.356 3.230 10 0 DGAERO CCOC(=O)/C=C/C[N@H+](C)Cc1cccc(Br)c1 ZINC000131108070 1201116185 /nfs/dbraw/zinc/11/61/85/1201116185.db2.gz JNQPXONKXKLJHQ-VMPITWQZSA-N 1 0 312.207 3.000 10 0 DGAERO c1c2ccccc2sc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000132916897 1201184151 /nfs/dbraw/zinc/18/41/51/1201184151.db2.gz DCCYTVXJMURKKV-CQSZACIVSA-N 1 0 305.443 3.434 10 0 DGAERO c1cncc(-c2cccc(C[NH2+]CCCO[C@H]3CCOC3)c2)c1 ZINC000133625177 1201193885 /nfs/dbraw/zinc/19/38/85/1201193885.db2.gz RJHFKLHJKWKYHU-IBGZPJMESA-N 1 0 312.413 3.034 10 0 DGAERO c1cc(-c2ncc(C[NH2+]CCCO[C@H]3CCOC3)s2)cs1 ZINC000152958690 1202595646 /nfs/dbraw/zinc/59/56/46/1202595646.db2.gz HCRQJMDZESSZLZ-ZDUSSCGKSA-N 1 0 324.471 3.157 10 0 DGAERO CCN(CCC[NH2+]Cc1ccc(C)nc1)C(=O)OC(C)(C)C ZINC000231357592 1202599208 /nfs/dbraw/zinc/59/92/08/1202599208.db2.gz DMGNGHHLXISXPK-UHFFFAOYSA-N 1 0 307.438 3.127 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000158151117 1202603407 /nfs/dbraw/zinc/60/34/07/1202603407.db2.gz RGYYBFZDGZPGNI-MRXNPFEDSA-N 1 0 308.809 3.498 10 0 DGAERO C[NH+](C)CCCNCc1cc(Cl)cc(Br)c1 ZINC000234217845 1202603446 /nfs/dbraw/zinc/60/34/46/1202603446.db2.gz PFRSKWUPXGXAPI-UHFFFAOYSA-N 1 0 305.647 3.144 10 0 DGAERO c1[nH]nc2cc(C[NH2+][C@@H]3CCCN(Cc4ccccc4)C3)ccc12 ZINC000236589470 1202613734 /nfs/dbraw/zinc/61/37/34/1202613734.db2.gz FSKMIECEGBIPOK-LJQANCHMSA-N 1 0 320.440 3.317 10 0 DGAERO C[C@H]([NH2+]CCOC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000160267988 1202618312 /nfs/dbraw/zinc/61/83/12/1202618312.db2.gz FVKPTCLLOUETKK-VIFPVBQESA-N 1 0 305.205 3.342 10 0 DGAERO c1nc2ccccn2c1C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000236689064 1202621022 /nfs/dbraw/zinc/62/10/22/1202621022.db2.gz DDTRJGHYHWPDNR-UHFFFAOYSA-N 1 0 312.442 3.002 10 0 DGAERO c1ccc(CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)nc1 ZINC000236745164 1202623094 /nfs/dbraw/zinc/62/30/94/1202623094.db2.gz ADEAXSDJZFLXIW-UHFFFAOYSA-N 1 0 319.408 3.388 10 0 DGAERO c1cnn(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000236758119 1202623236 /nfs/dbraw/zinc/62/32/36/1202623236.db2.gz JLRVYBIXQLMTCZ-UHFFFAOYSA-N 1 0 307.397 3.252 10 0 DGAERO Cc1cc(C)c2c(c1)CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000186467520 1202925949 /nfs/dbraw/zinc/92/59/49/1202925949.db2.gz BXPABGVITVQKSA-HXUWFJFHSA-N 1 0 306.409 3.267 10 0 DGAERO CCCC[N@H+](C)CCNCc1csc(Br)c1 ZINC000163980056 1203610227 /nfs/dbraw/zinc/61/02/27/1203610227.db2.gz LRZDMULIXRABOV-UHFFFAOYSA-N 1 0 305.285 3.332 10 0 DGAERO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000247846572 1203783653 /nfs/dbraw/zinc/78/36/53/1203783653.db2.gz DWHFYHXNBRFZBL-UHFFFAOYSA-N 1 0 322.364 3.001 10 0 DGAERO COc1ccc(OCC[NH2+]Cc2cccc3cccnc32)cc1 ZINC000248142823 1203796666 /nfs/dbraw/zinc/79/66/66/1203796666.db2.gz TVWKUSUMZRIEEY-UHFFFAOYSA-N 1 0 308.381 3.412 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000176477790 1203931885 /nfs/dbraw/zinc/93/18/85/1203931885.db2.gz CQTNTLHWQZTTRK-LCJXNMAOSA-N 1 0 316.445 3.041 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176627970 1203938000 /nfs/dbraw/zinc/93/80/00/1203938000.db2.gz JLZGRPDVSHCVEB-KBMXLJTQSA-N 1 0 323.506 3.193 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000177547835 1203955495 /nfs/dbraw/zinc/95/54/95/1203955495.db2.gz RVKQLGLZQDVJLS-SIMUAJLNSA-N 1 0 316.445 3.088 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccccc1C(F)(F)F ZINC000262552928 1204325207 /nfs/dbraw/zinc/32/52/07/1204325207.db2.gz SUAQXZHRANSELS-ZDUSSCGKSA-N 1 0 314.351 3.213 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000262571159 1204326594 /nfs/dbraw/zinc/32/65/94/1204326594.db2.gz XLVCRWJLKRYZTJ-CMPLNLGQSA-N 1 0 315.339 3.344 10 0 DGAERO Cc1cnccc1CC[NH2+]Cc1ccccc1Br ZINC000397529037 1081922116 /nfs/dbraw/zinc/92/21/16/1081922116.db2.gz XPKPWJIOQUGUSI-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO CC(C)[C@@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CCO1 ZINC000397874779 1082015909 /nfs/dbraw/zinc/01/59/09/1082015909.db2.gz LHZIPIKRXRJJHZ-GJZGRUSLSA-N 1 0 314.470 3.085 10 0 DGAERO CCCn1cncc1C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398036565 1082060451 /nfs/dbraw/zinc/06/04/51/1082060451.db2.gz NKGBZCJUSAGARA-WMZOPIPTSA-N 1 0 312.461 3.046 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1cc(OC)ccc1Br ZINC000398552183 1082168489 /nfs/dbraw/zinc/16/84/89/1082168489.db2.gz JBWMKDWPMALUEX-LBPRGKRZSA-N 1 0 316.239 3.098 10 0 DGAERO CC[C@H]1CCC[C@@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000724645196 1082398243 /nfs/dbraw/zinc/39/82/43/1082398243.db2.gz LCEKJXNPEAVGJQ-ZNMIVQPWSA-N 1 0 312.454 3.486 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)CCN1Cc1ccccc1 ZINC000708393226 1082768265 /nfs/dbraw/zinc/76/82/65/1082768265.db2.gz RQCSSIGCDDMZBK-QRQLOZEOSA-N 1 0 316.489 3.444 10 0 DGAERO COc1ccccc1/C=C\C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC000588613079 1082848677 /nfs/dbraw/zinc/84/86/77/1082848677.db2.gz LGOPDBGNIKVUDT-GDAGCXPBSA-N 1 0 320.433 3.211 10 0 DGAERO C[C@@H](C[NH2+][C@H](CCO)C1CCCC1)COCc1ccccc1 ZINC000725076211 1084955256 /nfs/dbraw/zinc/95/52/56/1084955256.db2.gz BXBWUJIAMFKTQZ-QFBILLFUSA-N 1 0 305.462 3.370 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2Br)[C@@H]1C ZINC000712477724 1085730965 /nfs/dbraw/zinc/73/09/65/1085730965.db2.gz XJPSTWQINXXJMS-FOGDFJRCSA-N 1 0 300.244 3.097 10 0 DGAERO CCN1CC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000712585002 1085761609 /nfs/dbraw/zinc/76/16/09/1085761609.db2.gz DCZZZFNXIIGGBU-LJQANCHMSA-N 1 0 310.441 3.449 10 0 DGAERO CN(Cc1ccccc1)C1(C[NH2+]Cc2cnsc2)CCC1 ZINC000712883544 1085843480 /nfs/dbraw/zinc/84/34/80/1085843480.db2.gz ZROMZSPGAJJETH-UHFFFAOYSA-N 1 0 301.459 3.287 10 0 DGAERO CN(C(=O)c1nc(Cl)ccc1Cl)C1(C[NH3+])CCCCC1 ZINC000713339882 1086189018 /nfs/dbraw/zinc/18/90/18/1086189018.db2.gz VQLYDEVAZFXYAO-UHFFFAOYSA-N 1 0 316.232 3.122 10 0 DGAERO CSC1CCC(CNC(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000720559798 1092887303 /nfs/dbraw/zinc/88/73/03/1092887303.db2.gz XPYPSXZCONDCLN-SLTAFYQDSA-N 1 0 300.512 3.036 10 0 DGAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000400095243 1093868751 /nfs/dbraw/zinc/86/87/51/1093868751.db2.gz JPDTXPKXSDKFFH-MCIGGMRASA-N 1 0 312.255 3.099 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCCCF)C[C@H]2C1 ZINC000400983876 1093930707 /nfs/dbraw/zinc/93/07/07/1093930707.db2.gz UBYNMVWKTHZBOF-KKUMJFAQSA-N 1 0 314.445 3.361 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCO2)C12CCCC2 ZINC000401369957 1093945997 /nfs/dbraw/zinc/94/59/97/1093945997.db2.gz BNXTTWBIWIHGAP-LSDHHAIUSA-N 1 0 324.465 3.077 10 0 DGAERO Cc1ccncc1C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401688670 1093964919 /nfs/dbraw/zinc/96/49/19/1093964919.db2.gz YYVNAFODEGNTME-CJNGLKHVSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@H]1SCC[C@@H]1[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401708632 1093966535 /nfs/dbraw/zinc/96/65/35/1093966535.db2.gz CPKNANMLQNVRGT-MQYQWHSLSA-N 1 0 314.495 3.116 10 0 DGAERO CSC1(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000401744720 1093969241 /nfs/dbraw/zinc/96/92/41/1093969241.db2.gz UFUPQADKRKFDSE-STQMWFEESA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000404462866 1094258296 /nfs/dbraw/zinc/25/82/96/1094258296.db2.gz SOBRPRWCWIILGT-NEPJUHHUSA-N 1 0 311.451 3.069 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CSC2)Cc2ccccc21 ZINC000404478338 1094258315 /nfs/dbraw/zinc/25/83/15/1094258315.db2.gz ZVJPQRLBSDVSRO-ZDUSSCGKSA-N 1 0 320.458 3.058 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccoc2)C12CCC2 ZINC000404478841 1094258829 /nfs/dbraw/zinc/25/88/29/1094258829.db2.gz AGQMKINOUXKYTI-UONOGXRCSA-N 1 0 306.406 3.205 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+]Cc2cccc(O)c2)CC1 ZINC000404593706 1094262377 /nfs/dbraw/zinc/26/23/77/1094262377.db2.gz VGEYIRYHSFLNIB-UHFFFAOYSA-N 1 0 320.433 3.177 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)C12CCC2 ZINC000404594590 1094262534 /nfs/dbraw/zinc/26/25/34/1094262534.db2.gz ADDSTLOFEWKQCZ-RRFJBIMHSA-N 1 0 322.449 3.105 10 0 DGAERO COCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404864962 1094270937 /nfs/dbraw/zinc/27/09/37/1094270937.db2.gz BACRJVMUMRDWGL-ZIAGYGMSSA-N 1 0 314.470 3.085 10 0 DGAERO Cc1cccnc1CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000405004332 1094282999 /nfs/dbraw/zinc/28/29/99/1094282999.db2.gz YBJHYKINBRXOBZ-XLIONFOSSA-N 1 0 309.457 3.185 10 0 DGAERO Cc1ccoc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000309961989 1094847907 /nfs/dbraw/zinc/84/79/07/1094847907.db2.gz IXPVPBRDEISGNK-UONOGXRCSA-N 1 0 308.422 3.371 10 0 DGAERO CC(C)CN(C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21)C1CC1 ZINC000192350843 1096491357 /nfs/dbraw/zinc/49/13/57/1096491357.db2.gz JEDGQTQISUMFSI-KRWDZBQOSA-N 1 0 316.445 3.006 10 0 DGAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000722500756 1100270166 /nfs/dbraw/zinc/27/01/66/1100270166.db2.gz LCEKJXNPEAVGJQ-KFWWJZLASA-N 1 0 312.454 3.486 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CO1 ZINC000722501905 1100296465 /nfs/dbraw/zinc/29/64/65/1100296465.db2.gz IEEYDEFLRLMRGV-KKUMJFAQSA-N 1 0 310.438 3.096 10 0 DGAERO C[C@H]1C[C@@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC(C)(C)C1 ZINC000722503222 1100297265 /nfs/dbraw/zinc/29/72/65/1100297265.db2.gz VFMPTDXHHRCZCR-BFHYXJOUSA-N 1 0 312.454 3.342 10 0 DGAERO CCCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cc1OCC ZINC000172633206 1103361410 /nfs/dbraw/zinc/36/14/10/1103361410.db2.gz CWOZDPWJCDRLRJ-HOTGVXAUSA-N 1 0 307.434 3.267 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CCN1C ZINC000719642701 1104967928 /nfs/dbraw/zinc/96/79/28/1104967928.db2.gz CUPQMIXMQJMACX-RNCFNFMXSA-N 1 0 317.658 3.285 10 0 DGAERO C[NH2+]CCCCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000719679730 1104976398 /nfs/dbraw/zinc/97/63/98/1104976398.db2.gz PZNLCYINGYEGJU-CYBMUJFWSA-N 1 0 312.866 3.383 10 0 DGAERO Cc1cn(C)nc1C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000723524684 1106018975 /nfs/dbraw/zinc/01/89/75/1106018975.db2.gz JJPQFDJAQAYZJL-LBPRGKRZSA-N 1 0 322.250 3.212 10 0 DGAERO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)C[C@H]1CC[NH3+] ZINC000723905041 1106443689 /nfs/dbraw/zinc/44/36/89/1106443689.db2.gz WCESWLWAGOZEJV-NXEZZACHSA-N 1 0 301.217 3.050 10 0 DGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724109421 1106627722 /nfs/dbraw/zinc/62/77/22/1106627722.db2.gz LXZVAULNFHXGCW-KOLCDFICSA-N 1 0 303.315 3.303 10 0 DGAERO Cc1sc(C[NH2+][C@H]2CCOC2(C)C)cc1Br ZINC000382211986 1108135959 /nfs/dbraw/zinc/13/59/59/1108135959.db2.gz LGIZBQZTUQJKRC-NSHDSACASA-N 1 0 304.253 3.476 10 0 DGAERO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000700750357 1108862738 /nfs/dbraw/zinc/86/27/38/1108862738.db2.gz JUXCANHYEVNTQB-LOWVWBTDSA-N 1 0 312.866 3.064 10 0 DGAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000081899006 192335449 /nfs/dbraw/zinc/33/54/49/192335449.db2.gz QBQHGFGNTZIMGT-IUCAKERBSA-N 1 0 310.246 3.077 10 0 DGAERO CCC(CC)(CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000161516289 282115098 /nfs/dbraw/zinc/11/50/98/282115098.db2.gz QAUNVJPFHOLAMF-RDJZCZTQSA-N 1 0 302.462 3.378 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000181261239 199273045 /nfs/dbraw/zinc/27/30/45/199273045.db2.gz GESRPAKYNRPYLR-BBRMVZONSA-N 1 0 320.481 3.011 10 0 DGAERO FC(F)(F)c1cnc(NC2CC[NH+](CC3CC3)CC2)s1 ZINC000302789812 230832503 /nfs/dbraw/zinc/83/25/03/230832503.db2.gz YDYCABLVHOKTME-UHFFFAOYSA-N 1 0 305.369 3.448 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1sccc1Br ZINC000082994971 185210545 /nfs/dbraw/zinc/21/05/45/185210545.db2.gz OTBUKWPMTXWANK-ONGXEEELSA-N 1 0 304.253 3.151 10 0 DGAERO Cc1cc(C[NH2+]CC[C@H](C)[S@@](C)=O)ccc1Br ZINC000129395232 432004444 /nfs/dbraw/zinc/00/44/44/432004444.db2.gz FTDKHPQNMUIAJZ-GTNSWQLSSA-N 1 0 318.280 3.004 10 0 DGAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@@H](C)C1 ZINC000328627210 231258425 /nfs/dbraw/zinc/25/84/25/231258425.db2.gz FVYWMVLUKPNSSY-BVRUVYRISA-N 1 0 301.478 3.489 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3c(C)noc3C)C2)c1 ZINC000083402961 185222037 /nfs/dbraw/zinc/22/20/37/185222037.db2.gz WTKYMDXBOSUEHJ-AWEZNQCLSA-N 1 0 316.401 3.298 10 0 DGAERO COc1cccc([C@@H](C)[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000083405495 185222047 /nfs/dbraw/zinc/22/20/47/185222047.db2.gz ZFZCBDKYNDKKJH-BEFAXECRSA-N 1 0 319.445 3.416 10 0 DGAERO Cc1cnn(CC[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)c1 ZINC000328912176 231384108 /nfs/dbraw/zinc/38/41/08/231384108.db2.gz OUYHOHBASQXJCV-SFHVURJKSA-N 1 0 324.428 3.289 10 0 DGAERO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C)CCC2)c(OC)c1 ZINC000090219958 185286943 /nfs/dbraw/zinc/28/69/43/185286943.db2.gz VZALKJOTOJTOAE-ZDUSSCGKSA-N 1 0 320.433 3.201 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(OC)c1F ZINC000090370371 185292971 /nfs/dbraw/zinc/29/29/71/185292971.db2.gz JVIJJFXYWMVDKP-CYBMUJFWSA-N 1 0 310.413 3.075 10 0 DGAERO COc1cccc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1F ZINC000090171649 185284752 /nfs/dbraw/zinc/28/47/52/185284752.db2.gz BVSGWSKPTDNRIH-UHFFFAOYSA-N 1 0 302.349 3.148 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(OC(F)(F)F)cc1 ZINC000090514178 185299941 /nfs/dbraw/zinc/29/99/41/185299941.db2.gz ROSNVTFWERQNCI-ZPMVXHMNSA-N 1 0 323.380 3.393 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(OC(F)F)cc1 ZINC000090514664 185300061 /nfs/dbraw/zinc/30/00/61/185300061.db2.gz GGKVOZFFMYOLSZ-SULUTDIPSA-N 1 0 305.390 3.096 10 0 DGAERO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)C2(OC)CCOCC2)CCO1 ZINC000453201331 282246846 /nfs/dbraw/zinc/24/68/46/282246846.db2.gz WWNRAIUWOKFGIL-UAGQMJEPSA-N 1 0 313.482 3.144 10 0 DGAERO c1ncn(C2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)n1 ZINC000092647719 185331258 /nfs/dbraw/zinc/33/12/58/185331258.db2.gz QNHVBVBPDGXXMP-UHFFFAOYSA-N 1 0 317.462 3.229 10 0 DGAERO CC(C)(C)c1ccc(C[NH+]2CCC(n3cncn3)CC2)s1 ZINC000092647994 185331283 /nfs/dbraw/zinc/33/12/83/185331283.db2.gz JADGVJKBXKFYDK-UHFFFAOYSA-N 1 0 304.463 3.474 10 0 DGAERO Cc1cccc(-c2n[nH]cc2CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000092616095 185329170 /nfs/dbraw/zinc/32/91/70/185329170.db2.gz LTTYHUQOVQIMAS-GOSISDBHSA-N 1 0 310.445 3.055 10 0 DGAERO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000092734516 185337103 /nfs/dbraw/zinc/33/71/03/185337103.db2.gz JNFMCLPYDJUAEK-CQSZACIVSA-N 1 0 323.506 3.080 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000092708314 185335403 /nfs/dbraw/zinc/33/54/03/185335403.db2.gz RMSKRXDRMRKMLS-QGZVFWFLSA-N 1 0 318.461 3.193 10 0 DGAERO Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4nccs4)C3)n2c1 ZINC000092789035 185341249 /nfs/dbraw/zinc/34/12/49/185341249.db2.gz DMYRLHVZSDXLGF-AWEZNQCLSA-N 1 0 312.442 3.479 10 0 DGAERO Cc1cccn2c(C[N@@H+]3CCC[C@H](c4nccs4)C3)cnc12 ZINC000092788789 185341366 /nfs/dbraw/zinc/34/13/66/185341366.db2.gz MJPGDJUNACYBEP-AWEZNQCLSA-N 1 0 312.442 3.479 10 0 DGAERO CC1(C)Cc2cc(C[N@H+]3Cc4ccccc4[C@@H](O)C3)ccc2O1 ZINC000082146506 192361601 /nfs/dbraw/zinc/36/16/01/192361601.db2.gz GRHYIJAAALRKFG-SFHVURJKSA-N 1 0 309.409 3.449 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000124183178 282258811 /nfs/dbraw/zinc/25/88/11/282258811.db2.gz ZCZNPJCEMVVCJV-MRXNPFEDSA-N 1 0 301.459 3.406 10 0 DGAERO Cc1cccc(C2=CC[N@H+](C[C@@H](O)COC(C)(C)C)CC2)c1 ZINC000092822325 185344434 /nfs/dbraw/zinc/34/44/34/185344434.db2.gz BLZWRDQWYHQWIP-GOSISDBHSA-N 1 0 303.446 3.260 10 0 DGAERO CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788926 185341497 /nfs/dbraw/zinc/34/14/97/185341497.db2.gz LIZTUGFZAMEDRL-OAHLLOKOSA-N 1 0 315.442 3.481 10 0 DGAERO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)o1 ZINC000092788940 185341580 /nfs/dbraw/zinc/34/15/80/185341580.db2.gz MFUXHDGJMBAZEM-GFCCVEGCSA-N 1 0 320.414 3.292 10 0 DGAERO C[C@@H]1CCC[C@H](C[NH+]2CCC(N(C)c3cccnn3)CC2)C1 ZINC000092796273 185341986 /nfs/dbraw/zinc/34/19/86/185341986.db2.gz ZYSVFBSOFFDFSZ-CVEARBPZSA-N 1 0 302.466 3.204 10 0 DGAERO Cc1nn(C)c(C[NH2+][C@@H]2CCCC(F)(F)C2)c1Br ZINC000447891116 282266818 /nfs/dbraw/zinc/26/68/18/282266818.db2.gz ABBGCFXACVJFMX-SECBINFHSA-N 1 0 322.197 3.159 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000092929711 185349611 /nfs/dbraw/zinc/34/96/11/185349611.db2.gz CCLYYAZZGZFBGP-IINYFYTJSA-N 1 0 311.788 3.180 10 0 DGAERO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccncc1 ZINC000181394269 199289814 /nfs/dbraw/zinc/28/98/14/199289814.db2.gz LMTJBIXRRGJTGW-IAQYHMDHSA-N 1 0 321.218 3.228 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](O)COC(C)C)cc1 ZINC000181394905 199290355 /nfs/dbraw/zinc/29/03/55/199290355.db2.gz AMBWQTPQDPVIMW-DOTOQJQBSA-N 1 0 309.450 3.158 10 0 DGAERO CC(C)[N@H+](C)CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129725511 432008774 /nfs/dbraw/zinc/00/87/74/432008774.db2.gz AEFAAJNPDNWDIJ-INIZCTEOSA-N 1 0 316.445 3.279 10 0 DGAERO C[N@H+](CCC(=O)Nc1cccc2ccccc21)C[C@@H]1CCCO1 ZINC000103480619 432009929 /nfs/dbraw/zinc/00/99/29/432009929.db2.gz IHCPDOQXGUECDX-INIZCTEOSA-N 1 0 312.413 3.279 10 0 DGAERO COc1cc(C[C@H](C)[NH3+])cc(Br)c1OCC1CC1 ZINC000037724992 190665051 /nfs/dbraw/zinc/66/50/51/190665051.db2.gz UOMJESDCNLMJKX-VIFPVBQESA-N 1 0 314.223 3.136 10 0 DGAERO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000263512756 282360205 /nfs/dbraw/zinc/36/02/05/282360205.db2.gz NWERXMPKTZQAAM-MRXNPFEDSA-N 1 0 310.482 3.074 10 0 DGAERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCCC2)CC1 ZINC000190516062 282361806 /nfs/dbraw/zinc/36/18/06/282361806.db2.gz OEFWVJRWOFQLBS-HNNXBMFYSA-N 1 0 310.482 3.057 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000277947887 213874520 /nfs/dbraw/zinc/87/45/20/213874520.db2.gz RHPFRZAYOWCGIH-ZANVPECISA-N 1 0 302.187 3.103 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)CC(C)C)[C@H](C)C1 ZINC000129996272 432012127 /nfs/dbraw/zinc/01/21/27/432012127.db2.gz RUOAXGOPJKAVQE-CVEARBPZSA-N 1 0 311.514 3.430 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCCC4)cc2)n1 ZINC000291930752 222722234 /nfs/dbraw/zinc/72/22/34/222722234.db2.gz MBLJUALHHDVKHI-UHFFFAOYSA-N 1 0 318.424 3.436 10 0 DGAERO Cc1ccc(CCC[NH+]2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000181802362 199354281 /nfs/dbraw/zinc/35/42/81/199354281.db2.gz XHOLREDRHNIDLE-UHFFFAOYSA-N 1 0 324.472 3.318 10 0 DGAERO COc1cccc([C@@H](C)C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000130008411 432013186 /nfs/dbraw/zinc/01/31/86/432013186.db2.gz ZYGMODKQKQPNPT-HPUBIQBYSA-N 1 0 318.461 3.035 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](CCCc3ccccc3Cl)C2)cn1 ZINC000181890483 199364044 /nfs/dbraw/zinc/36/40/44/199364044.db2.gz KRCFNNHESZGJJM-OAHLLOKOSA-N 1 0 303.837 3.496 10 0 DGAERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000272679664 210083456 /nfs/dbraw/zinc/08/34/56/210083456.db2.gz RRKWGUJPZIZKFZ-SFHVURJKSA-N 1 0 324.424 3.047 10 0 DGAERO C[C@@H]([NH2+]Cc1cccs1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279667253 215046363 /nfs/dbraw/zinc/04/63/63/215046363.db2.gz FFFMBZZVOOFDCR-OLZOCXBDSA-N 1 0 310.463 3.483 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286891079 219212803 /nfs/dbraw/zinc/21/28/03/219212803.db2.gz BWOCVDYCHNARDE-JHBDWUGASA-N 1 0 316.420 3.314 10 0 DGAERO C[NH+](C)C1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000130236549 432018426 /nfs/dbraw/zinc/01/84/26/432018426.db2.gz UPSMXWDCDXUTGV-UHFFFAOYSA-N 1 0 303.381 3.007 10 0 DGAERO CC[C@H]([NH2+]CCCn1ccnn1)c1cccc(Br)c1 ZINC000126598768 185877477 /nfs/dbraw/zinc/87/74/77/185877477.db2.gz CPRKNYJDJNZDTD-AWEZNQCLSA-N 1 0 323.238 3.172 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1sccc1Br ZINC000037321438 545673273 /nfs/dbraw/zinc/67/32/73/545673273.db2.gz VUVREVGPWRPHNZ-GUBZILKMSA-N 1 0 304.253 3.465 10 0 DGAERO CCc1c(C)nc(-c2cccc(F)c2)nc1N1CCC([NH3+])CC1 ZINC000070451818 190894623 /nfs/dbraw/zinc/89/46/23/190894623.db2.gz PMPHYMIVPLMDIL-UHFFFAOYSA-N 1 0 314.408 3.081 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2Br)C1 ZINC000070574063 190906712 /nfs/dbraw/zinc/90/67/12/190906712.db2.gz BBBLIXGIEVUOMM-PSASIEDQSA-N 1 0 315.186 3.044 10 0 DGAERO CC(C)c1nc(C(=O)NC2CCC(C[NH+](C)C)CC2)cs1 ZINC000130377691 432022769 /nfs/dbraw/zinc/02/27/69/432022769.db2.gz JUDGRHFPGKDHCA-UHFFFAOYSA-N 1 0 309.479 3.117 10 0 DGAERO CCc1cnc(CC[NH2+][C@H](C)c2ccc3c(c2)OCO3)s1 ZINC000130372354 432022994 /nfs/dbraw/zinc/02/29/94/432022994.db2.gz VZAXEOIGWNJBAQ-LLVKDONJSA-N 1 0 304.415 3.328 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Cl)cc1Cl ZINC000084061542 192399171 /nfs/dbraw/zinc/39/91/71/192399171.db2.gz HHGBKFGFWBTRRA-GXSJLCMTSA-N 1 0 301.217 3.265 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000084062884 192399548 /nfs/dbraw/zinc/39/95/48/192399548.db2.gz WRRDGIJUXLRSAZ-GXSJLCMTSA-N 1 0 301.217 3.265 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1 ZINC000084074390 192399977 /nfs/dbraw/zinc/39/99/77/192399977.db2.gz SUVXHZOBDQBSLU-AWEZNQCLSA-N 1 0 308.447 3.071 10 0 DGAERO c1c[nH]c([C@@H]([NH2+][C@@H]2CCc3ccccc3C2)c2cccnc2)n1 ZINC000279994206 215298192 /nfs/dbraw/zinc/29/81/92/215298192.db2.gz FMTQYZAMOLIHQO-MSOLQXFVSA-N 1 0 304.397 3.041 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCCSC)cc1NC(C)=O ZINC000133690856 186007923 /nfs/dbraw/zinc/00/79/23/186007923.db2.gz HEQPZHUXPZFKFI-GFCCVEGCSA-N 1 0 310.463 3.447 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1)c1ccco1 ZINC000067003715 432025006 /nfs/dbraw/zinc/02/50/06/432025006.db2.gz QOOULQCAYCVSLI-HNNXBMFYSA-N 1 0 301.390 3.484 10 0 DGAERO O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171505258 186170006 /nfs/dbraw/zinc/17/00/06/186170006.db2.gz XMIXZOABQFZGTR-SFHVURJKSA-N 1 0 313.445 3.267 10 0 DGAERO CCc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173296452 186173481 /nfs/dbraw/zinc/17/34/81/186173481.db2.gz WNEDVJQHRDCMBU-AYHJJNSGSA-N 1 0 315.461 3.064 10 0 DGAERO CCc1cccc(C)c1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000164230714 186152851 /nfs/dbraw/zinc/15/28/51/186152851.db2.gz WMQCBBKIQJKBBP-GOEBONIOSA-N 1 0 303.450 3.408 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000164266400 186154090 /nfs/dbraw/zinc/15/40/90/186154090.db2.gz JPXCAGNFZLVPQF-GHMZBOCLSA-N 1 0 304.253 3.151 10 0 DGAERO CCCC[C@H](COC)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177856053 186194028 /nfs/dbraw/zinc/19/40/28/186194028.db2.gz RKAPRGSSNAGLIZ-GOSISDBHSA-N 1 0 318.461 3.086 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000182031385 199377165 /nfs/dbraw/zinc/37/71/65/199377165.db2.gz PBWQSTXNAOFXPR-OAHLLOKOSA-N 1 0 314.395 3.435 10 0 DGAERO CN(C)C(=O)C1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000179684794 186204934 /nfs/dbraw/zinc/20/49/34/186204934.db2.gz RWEDEESAGBAWEG-UHFFFAOYSA-N 1 0 312.413 3.247 10 0 DGAERO CCC[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cccnc1 ZINC000186031384 186233152 /nfs/dbraw/zinc/23/31/52/186233152.db2.gz BNJIVDWXJSEYST-OAHLLOKOSA-N 1 0 317.458 3.394 10 0 DGAERO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194230691 186271005 /nfs/dbraw/zinc/27/10/05/186271005.db2.gz SWKWCNOLISACMF-UHFFFAOYSA-N 1 0 314.433 3.410 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194237811 186271542 /nfs/dbraw/zinc/27/15/42/186271542.db2.gz QLMBDFOQLMPJTJ-UHFFFAOYSA-N 1 0 314.433 3.411 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000106912580 432025652 /nfs/dbraw/zinc/02/56/52/432025652.db2.gz WGRHKKPRVYFOJE-PMACEKPBSA-N 1 0 322.452 3.175 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000194258242 186273842 /nfs/dbraw/zinc/27/38/42/186273842.db2.gz LHOGHLUVEWTWBA-DYVFJYSZSA-N 1 0 314.433 3.362 10 0 DGAERO O=C(CCc1cccs1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171583702 197946300 /nfs/dbraw/zinc/94/63/00/197946300.db2.gz DGQGZKXMIATLIA-HNNXBMFYSA-N 1 0 306.475 3.158 10 0 DGAERO C[NH+]1CCC2(CCCN2C(=O)NCC2CCCCCC2)CC1 ZINC000459028966 282730882 /nfs/dbraw/zinc/73/08/82/282730882.db2.gz PYFJWNUHMNDPMA-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO CC(C)COc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171890933 198002331 /nfs/dbraw/zinc/00/23/31/198002331.db2.gz HHSXMSZRDKFZRM-HNNXBMFYSA-N 1 0 317.433 3.033 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccco2)cc1 ZINC000067127852 432027165 /nfs/dbraw/zinc/02/71/65/432027165.db2.gz BLNLGPBBYXLDTH-CQSZACIVSA-N 1 0 300.402 3.370 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000172289931 198071787 /nfs/dbraw/zinc/07/17/87/198071787.db2.gz FGZPKGAQJAZLNJ-UHFFFAOYSA-N 1 0 322.456 3.066 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c2ccccc2n1 ZINC000172418583 198094851 /nfs/dbraw/zinc/09/48/51/198094851.db2.gz NRRDXVNPTYQUAZ-MRXNPFEDSA-N 1 0 321.428 3.047 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C(\C)c2ccc(F)cc2)[C@H](C)C1 ZINC000172610715 198123439 /nfs/dbraw/zinc/12/34/39/198123439.db2.gz XXCZLQXRGYLSAA-IUAQFKCUSA-N 1 0 318.436 3.418 10 0 DGAERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000172618337 198126090 /nfs/dbraw/zinc/12/60/90/198126090.db2.gz FYYRBZPDBBLJRR-CABCVRRESA-N 1 0 311.429 3.098 10 0 DGAERO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000072792979 191229317 /nfs/dbraw/zinc/22/93/17/191229317.db2.gz OGUFDWFGAALKSL-UHFFFAOYSA-N 1 0 301.434 3.009 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000072858287 191240656 /nfs/dbraw/zinc/24/06/56/191240656.db2.gz KNOWPSUYLNNKEZ-INIZCTEOSA-N 1 0 317.477 3.022 10 0 DGAERO C[C@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)Cc1ccccc1 ZINC000182054258 199380313 /nfs/dbraw/zinc/38/03/13/199380313.db2.gz NVKJAQLWEMONTE-GOEBONIOSA-N 1 0 314.395 3.339 10 0 DGAERO CCCCS[C@@H](C)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107529475 282883208 /nfs/dbraw/zinc/88/32/08/282883208.db2.gz QAOXRAFAEYFXCK-JKSUJKDBSA-N 1 0 312.523 3.385 10 0 DGAERO CC[NH+](CC)CCS[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000174030252 198283312 /nfs/dbraw/zinc/28/33/12/198283312.db2.gz OODBIBYFDINZHW-CABCVRRESA-N 1 0 308.491 3.327 10 0 DGAERO COCC[C@@](C)(O)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182083748 199383900 /nfs/dbraw/zinc/38/39/00/199383900.db2.gz YUCCJJMXABWFMX-HZPDHXFCSA-N 1 0 301.377 3.039 10 0 DGAERO CSc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174173579 198301833 /nfs/dbraw/zinc/30/18/33/198301833.db2.gz GWURJQPADRRCNE-AGUYFDCRSA-N 1 0 304.459 3.154 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccncc3)C2)c1 ZINC000174107563 198292304 /nfs/dbraw/zinc/29/23/04/198292304.db2.gz TYDMVQBFDZTFOX-RDJZCZTQSA-N 1 0 311.429 3.410 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2nc3ccccc3s2)CC[N@@H+]1C ZINC000174279827 198314378 /nfs/dbraw/zinc/31/43/78/198314378.db2.gz CZEQNXQJYOZKLN-NWDGAFQWSA-N 1 0 318.446 3.243 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1c(F)cc(F)cc1F ZINC000174279397 198314736 /nfs/dbraw/zinc/31/47/36/198314736.db2.gz RERVZGMEFYNOOZ-SNVBAGLBSA-N 1 0 315.339 3.100 10 0 DGAERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000174468138 198338655 /nfs/dbraw/zinc/33/86/55/198338655.db2.gz NANXPQUEHBFGTR-RYUDHWBXSA-N 1 0 312.360 3.347 10 0 DGAERO CCc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)oc1CC ZINC000131206005 432033995 /nfs/dbraw/zinc/03/39/95/432033995.db2.gz UZSPSXUEXMPZOW-ZDUSSCGKSA-N 1 0 320.458 3.499 10 0 DGAERO Cc1cccc(CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107529617 432034172 /nfs/dbraw/zinc/03/41/72/432034172.db2.gz KOFZIHIHEVLORW-GOSISDBHSA-N 1 0 300.446 3.014 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)c1cccnc1)CC(C)C ZINC000174826310 198390154 /nfs/dbraw/zinc/39/01/54/198390154.db2.gz BAMRKGLNVVYGHZ-WBVHZDCISA-N 1 0 305.466 3.058 10 0 DGAERO O=C(c1nccc2ccccc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107666630 432035342 /nfs/dbraw/zinc/03/53/42/432035342.db2.gz ZZWCOSTVHJDTRV-KRWDZBQOSA-N 1 0 323.440 3.325 10 0 DGAERO O=C(c1nccc2ccccc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107666634 432037261 /nfs/dbraw/zinc/03/72/61/432037261.db2.gz ZZWCOSTVHJDTRV-QGZVFWFLSA-N 1 0 323.440 3.325 10 0 DGAERO Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@H]3CCNC3=O)cc2)c1 ZINC000179066594 432037519 /nfs/dbraw/zinc/03/75/19/432037519.db2.gz AEHOZHQJEKUYGP-BEFAXECRSA-N 1 0 324.424 3.113 10 0 DGAERO Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H](n3cncn3)C1)CCC2 ZINC000245504956 283004435 /nfs/dbraw/zinc/00/44/35/283004435.db2.gz FLUNDCKGSOQQSF-NVXWUHKLSA-N 1 0 300.381 3.132 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000107693122 432037913 /nfs/dbraw/zinc/03/79/13/432037913.db2.gz UESGPDICIWQIAR-OAHLLOKOSA-N 1 0 318.461 3.108 10 0 DGAERO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)cc1F ZINC000131772272 432038457 /nfs/dbraw/zinc/03/84/57/432038457.db2.gz DKRDHUKPPJMTAT-ZDUSSCGKSA-N 1 0 324.827 3.345 10 0 DGAERO Cc1nc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)s1 ZINC000179127417 432044059 /nfs/dbraw/zinc/04/40/59/432044059.db2.gz LGJYSAVZIABNQI-BETUJISGSA-N 1 0 323.506 3.248 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000179134019 432044793 /nfs/dbraw/zinc/04/47/93/432044793.db2.gz MVLFEQSCGHSURK-UHFFFAOYSA-N 1 0 309.413 3.254 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000073639265 191335769 /nfs/dbraw/zinc/33/57/69/191335769.db2.gz REDFHZRGWDMATJ-HNNXBMFYSA-N 1 0 315.461 3.255 10 0 DGAERO Cc1ccc(CCC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000074914544 191386141 /nfs/dbraw/zinc/38/61/41/191386141.db2.gz DBCKKZHCAQHXGN-UHFFFAOYSA-N 1 0 314.473 3.451 10 0 DGAERO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c(Cl)cc1F ZINC000164446899 432047095 /nfs/dbraw/zinc/04/70/95/432047095.db2.gz WPBSOYQSNDLESS-NSHDSACASA-N 1 0 312.816 3.249 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000075530368 191486664 /nfs/dbraw/zinc/48/66/64/191486664.db2.gz UZWDBXDLJDODRH-GFCCVEGCSA-N 1 0 313.392 3.057 10 0 DGAERO Cc1nc2c(s1)[C@@H](NCc1nccn1CC(C)C)CCC2 ZINC000164831954 432051749 /nfs/dbraw/zinc/05/17/49/432051749.db2.gz QEASINSFHMGUKO-ZDUSSCGKSA-N 1 0 304.463 3.471 10 0 DGAERO C[C@@H](O)CC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000078780727 191929955 /nfs/dbraw/zinc/92/99/55/191929955.db2.gz WXKUBXZINPZFBU-LLVKDONJSA-N 1 0 302.399 3.417 10 0 DGAERO Cc1ccc(-c2ccc(=O)n(CC[NH+]3CCCCC3)n2)c(C)c1 ZINC000005401438 181239618 /nfs/dbraw/zinc/23/96/18/181239618.db2.gz FEBQJZNKGPZYKX-UHFFFAOYSA-N 1 0 311.429 3.013 10 0 DGAERO C[C@@H](CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000179260918 432052701 /nfs/dbraw/zinc/05/27/01/432052701.db2.gz ATUUZLICRVSWJO-DZGCQCFKSA-N 1 0 322.399 3.155 10 0 DGAERO Cc1nc2c(s1)[C@H](NCc1nccn1CC(C)C)CCC2 ZINC000164831814 432052293 /nfs/dbraw/zinc/05/22/93/432052293.db2.gz QEASINSFHMGUKO-CYBMUJFWSA-N 1 0 304.463 3.471 10 0 DGAERO COc1ccc2oc(C[NH2+]CCc3c(C)nn(C)c3C)cc2c1 ZINC000179285475 432052423 /nfs/dbraw/zinc/05/24/23/432052423.db2.gz ITYRRPIPFKYHJV-UHFFFAOYSA-N 1 0 313.401 3.124 10 0 DGAERO CN(CC1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179261865 432052512 /nfs/dbraw/zinc/05/25/12/432052512.db2.gz RDNJMPFMUGOELQ-MSOLQXFVSA-N 1 0 315.461 3.263 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1C)[NH+](C)C ZINC000179322768 432054176 /nfs/dbraw/zinc/05/41/76/432054176.db2.gz GUQOIKKOVYYBHN-KRWDZBQOSA-N 1 0 303.450 3.264 10 0 DGAERO Cc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)n1C(C)C ZINC000080718094 192186336 /nfs/dbraw/zinc/18/63/36/192186336.db2.gz SHPQTPXDWFPCTB-ALOPSCKCSA-N 1 0 317.477 3.431 10 0 DGAERO CCOCCCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000165136415 432054986 /nfs/dbraw/zinc/05/49/86/432054986.db2.gz PMSCWPCRXSRRKK-CYBMUJFWSA-N 1 0 308.422 3.121 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1C ZINC000165751506 432057381 /nfs/dbraw/zinc/05/73/81/432057381.db2.gz AHPQRWIAPFIFCP-LSDHHAIUSA-N 1 0 306.837 3.347 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000133237441 432059644 /nfs/dbraw/zinc/05/96/44/432059644.db2.gz XACZOCUEWWPEGA-HNNXBMFYSA-N 1 0 309.454 3.412 10 0 DGAERO CCC(C)(CC)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179463979 432059701 /nfs/dbraw/zinc/05/97/01/432059701.db2.gz IICVTXDUBWUQQE-JKSUJKDBSA-N 1 0 303.450 3.310 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000236891695 202056208 /nfs/dbraw/zinc/05/62/08/202056208.db2.gz UAVKFNBMZGNMDS-OYNCUSHFSA-N 1 0 323.384 3.103 10 0 DGAERO CCC1(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCC1 ZINC000179471374 432059688 /nfs/dbraw/zinc/05/96/88/432059688.db2.gz LEPMTHMZUNYYMW-HZPDHXFCSA-N 1 0 301.434 3.064 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000236901137 202061060 /nfs/dbraw/zinc/06/10/60/202061060.db2.gz ABIBBESUJGQBFD-ZNVLZIIHSA-N 1 0 324.490 3.046 10 0 DGAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000236937467 202080065 /nfs/dbraw/zinc/08/00/65/202080065.db2.gz YSEWGFAIBVSDPM-NHYWBVRUSA-N 1 0 304.390 3.040 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000236920858 202072506 /nfs/dbraw/zinc/07/25/06/202072506.db2.gz BINZYNNKTOWKOV-TVQRCGJNSA-N 1 0 307.394 3.261 10 0 DGAERO CCc1ccc(-c2csc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000236990583 202111127 /nfs/dbraw/zinc/11/11/27/202111127.db2.gz NSQDAWZIYOUGON-UONOGXRCSA-N 1 0 315.442 3.438 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1 ZINC000166475952 432060799 /nfs/dbraw/zinc/06/07/99/432060799.db2.gz RDOAVTFWTOQLMJ-HKUYNNGSSA-N 1 0 312.461 3.438 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000237025556 202126843 /nfs/dbraw/zinc/12/68/43/202126843.db2.gz UPAJGUFRTBSARE-MLGOLLRUSA-N 1 0 318.417 3.430 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CCOc1ccccc1F ZINC000237037561 202130494 /nfs/dbraw/zinc/13/04/94/202130494.db2.gz XLYJYRFTHMXJND-UHFFFAOYSA-N 1 0 316.376 3.343 10 0 DGAERO C[NH2+]C1CCN(C(=O)CCCOc2ccc(Cl)c(C)c2)CC1 ZINC000237062906 202139595 /nfs/dbraw/zinc/13/95/95/202139595.db2.gz BOVDKDIQINISAD-UHFFFAOYSA-N 1 0 324.852 3.018 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1C ZINC000166527961 432061167 /nfs/dbraw/zinc/06/11/67/432061167.db2.gz XQSOZBIRYBJOQV-AEFFLSMTSA-N 1 0 312.461 3.357 10 0 DGAERO C[NH2+]C1CCN(C(=O)C2(c3ccccc3C)CCCCC2)CC1 ZINC000237107429 202155380 /nfs/dbraw/zinc/15/53/80/202155380.db2.gz COTCATKELSZBLJ-UHFFFAOYSA-N 1 0 314.473 3.407 10 0 DGAERO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166538964 432061885 /nfs/dbraw/zinc/06/18/85/432061885.db2.gz IBZUPKICJBLBSF-UONOGXRCSA-N 1 0 304.463 3.110 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1F ZINC000237184272 202180884 /nfs/dbraw/zinc/18/08/84/202180884.db2.gz ZIVMOXZJISOYCR-QWHCGFSZSA-N 1 0 322.424 3.037 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)ccc1-n1cncn1 ZINC000179619508 432064624 /nfs/dbraw/zinc/06/46/24/432064624.db2.gz SIZNXYJWZKGRSH-CQSZACIVSA-N 1 0 324.350 3.350 10 0 DGAERO O=C(CNC1(c2cccc(F)c2)CC1)Nc1ccccc1F ZINC000179687051 432067634 /nfs/dbraw/zinc/06/76/34/432067634.db2.gz ZWPSJWPRMFEKKK-UHFFFAOYSA-N 1 0 302.324 3.182 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000168468968 432068861 /nfs/dbraw/zinc/06/88/61/432068861.db2.gz QZYNTUVMJLRPOM-RYUDHWBXSA-N 1 0 313.438 3.459 10 0 DGAERO CCn1cc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)cn1 ZINC000168442214 432068881 /nfs/dbraw/zinc/06/88/81/432068881.db2.gz KMFXFKLQXRCEHD-ZDUSSCGKSA-N 1 0 304.463 3.284 10 0 DGAERO COc1cc(CN2CCC[N@@H+](C3CC3)CC2)ccc1OC(C)C ZINC000179728529 432069408 /nfs/dbraw/zinc/06/94/08/432069408.db2.gz AREMADGIPHXWFJ-UHFFFAOYSA-N 1 0 318.461 3.153 10 0 DGAERO c1ccc(-c2cccc(CN3CCC[N@@H+](C4CC4)CC3)c2)nc1 ZINC000179731672 432069428 /nfs/dbraw/zinc/06/94/28/432069428.db2.gz YMIAUVRBSXGOHA-UHFFFAOYSA-N 1 0 307.441 3.419 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ncc(Br)s1 ZINC000179232851 199001872 /nfs/dbraw/zinc/00/18/72/199001872.db2.gz SUPNZFUHYCIVKN-AEJSXWLSSA-N 1 0 319.268 3.107 10 0 DGAERO C[N@@H+]1CCC[C@H]1CCN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000179469809 199041251 /nfs/dbraw/zinc/04/12/51/199041251.db2.gz WGRVQSOHVQBDOW-AWEZNQCLSA-N 1 0 301.409 3.149 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CCN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000179469793 199041434 /nfs/dbraw/zinc/04/14/34/199041434.db2.gz WGRVQSOHVQBDOW-CQSZACIVSA-N 1 0 301.409 3.149 10 0 DGAERO Cn1nccc1C1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179848888 199088437 /nfs/dbraw/zinc/08/84/37/199088437.db2.gz XELZPLWUCWPPGH-UHFFFAOYSA-N 1 0 321.428 3.190 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000179941541 199097429 /nfs/dbraw/zinc/09/74/29/199097429.db2.gz PTHPRGVQXFHIIM-KRWDZBQOSA-N 1 0 324.472 3.385 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000179879104 199090996 /nfs/dbraw/zinc/09/09/96/199090996.db2.gz YPLWPRUMOAYYFZ-CYBMUJFWSA-N 1 0 322.815 3.470 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000180004582 199105563 /nfs/dbraw/zinc/10/55/63/199105563.db2.gz SJOMHVAERNIOIC-INIZCTEOSA-N 1 0 312.461 3.240 10 0 DGAERO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000180090787 199116072 /nfs/dbraw/zinc/11/60/72/199116072.db2.gz HTQYBESFLGQICD-BPUTZDHNSA-N 1 0 324.490 3.199 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2cccs2)[C@@H]1c1ccccc1 ZINC000180157794 199123737 /nfs/dbraw/zinc/12/37/37/199123737.db2.gz MFDUSAZSRHVTKF-JIMORPAJSA-N 1 0 312.438 3.323 10 0 DGAERO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1C ZINC000180155732 199124277 /nfs/dbraw/zinc/12/42/77/199124277.db2.gz IRJHOBFDQMDHPA-RTBURBONSA-N 1 0 308.425 3.479 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2)[C@@H]1c1ccccc1 ZINC000180184837 199127701 /nfs/dbraw/zinc/12/77/01/199127701.db2.gz UFYUFZRZOYOMNF-ICSRJNTNSA-N 1 0 324.424 3.017 10 0 DGAERO COc1cccc(F)c1[C@@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237282525 202216361 /nfs/dbraw/zinc/21/63/61/202216361.db2.gz OTMXAHDRSZEVCU-IUODEOHRSA-N 1 0 316.376 3.102 10 0 DGAERO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000170652354 432075407 /nfs/dbraw/zinc/07/54/07/432075407.db2.gz UQVZKTCPJWUBFL-GJZGRUSLSA-N 1 0 306.450 3.047 10 0 DGAERO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180487949 199165114 /nfs/dbraw/zinc/16/51/14/199165114.db2.gz IBFGPCKGPBRSIA-HOCLYGCPSA-N 1 0 308.491 3.168 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)CC2 ZINC000180504709 199167905 /nfs/dbraw/zinc/16/79/05/199167905.db2.gz SITKIPPUYRPWGI-RYUDHWBXSA-N 1 0 320.387 3.345 10 0 DGAERO Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ncnn3C1)CCS2 ZINC000180602085 199183738 /nfs/dbraw/zinc/18/37/38/199183738.db2.gz GNQHBAMAYNSIOE-AAEUAGOBSA-N 1 0 320.849 3.073 10 0 DGAERO C[C@@H]1C[N@H+](CCOc2cccc(Br)c2)CCS1 ZINC000134344181 432076772 /nfs/dbraw/zinc/07/67/72/432076772.db2.gz FMKMROBYEFSACC-LLVKDONJSA-N 1 0 316.264 3.265 10 0 DGAERO CCCc1cnc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000180825373 199214472 /nfs/dbraw/zinc/21/44/72/199214472.db2.gz UUSFSTPIPXMJBN-VXGBXAGGSA-N 1 0 310.467 3.042 10 0 DGAERO COc1cccc([C@@H]([NH2+]C[C@H](C)O)c2ccccc2Cl)c1 ZINC000181047552 199245293 /nfs/dbraw/zinc/24/52/93/199245293.db2.gz MVVBUEXYHFJCNN-YVEFUNNKSA-N 1 0 305.805 3.408 10 0 DGAERO COc1ccc([C@H](C)NC(=O)CC2(C[NH3+])CCCCC2)cc1F ZINC000185345694 199841467 /nfs/dbraw/zinc/84/14/67/199841467.db2.gz DYIXLWMMYOWXHI-ZDUSSCGKSA-N 1 0 322.424 3.311 10 0 DGAERO C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180125969 432079513 /nfs/dbraw/zinc/07/95/13/432079513.db2.gz QQJFUNKQZCEOTC-KFKAGJAMSA-N 1 0 324.424 3.016 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccc(C)cc1)C1CC1)CC2 ZINC000180168174 432080239 /nfs/dbraw/zinc/08/02/39/432080239.db2.gz SGNIPFYGWUHOAE-APWZRJJASA-N 1 0 310.445 3.205 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C12CCOCC2 ZINC000186286091 199939248 /nfs/dbraw/zinc/93/92/48/199939248.db2.gz YDKHWTYYNKJLEK-RBUKOAKNSA-N 1 0 315.457 3.239 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000186775642 200008009 /nfs/dbraw/zinc/00/80/09/200008009.db2.gz IXWWEEJMYZQACJ-DNVCBOLYSA-N 1 0 308.425 3.005 10 0 DGAERO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1F ZINC000180307206 432083776 /nfs/dbraw/zinc/08/37/76/432083776.db2.gz YGJBLAUNNZLUCI-QGZVFWFLSA-N 1 0 300.377 3.296 10 0 DGAERO Fc1cc(Cl)ccc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000186750731 200004072 /nfs/dbraw/zinc/00/40/72/200004072.db2.gz IBEYHDXXJMLJCN-AWEZNQCLSA-N 1 0 320.799 3.028 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000186771427 200007423 /nfs/dbraw/zinc/00/74/23/200007423.db2.gz WSZWNBPYQOTNKD-XJKSGUPXSA-N 1 0 320.864 3.266 10 0 DGAERO CC[N@H+](CCc1nccs1)CCc1ccccc1C(=O)OC ZINC000187327657 200095879 /nfs/dbraw/zinc/09/58/79/200095879.db2.gz RFOMBHQFETZUIE-UHFFFAOYSA-N 1 0 318.442 3.037 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](CCCCCOc3ccccc3)C2)cn1 ZINC000187332416 200096576 /nfs/dbraw/zinc/09/65/76/200096576.db2.gz LGYIGPMUSIECJR-KRWDZBQOSA-N 1 0 313.445 3.459 10 0 DGAERO O[C@]1(C(F)(F)F)CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000187356233 200100627 /nfs/dbraw/zinc/10/06/27/200100627.db2.gz CQGDWKXIXIGMFP-OAHLLOKOSA-N 1 0 317.351 3.235 10 0 DGAERO CC(C)c1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(O)c(C(C)C)c1 ZINC000170859818 432084844 /nfs/dbraw/zinc/08/48/44/432084844.db2.gz LKWFRHVUBZPORV-HNNXBMFYSA-N 1 0 318.461 3.415 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000187702908 200146938 /nfs/dbraw/zinc/14/69/38/200146938.db2.gz RVVLHDOBSAMFNM-HKUYNNGSSA-N 1 0 300.446 3.099 10 0 DGAERO Cc1ccc2c(C[N@@H+](C)[C@]3(CO)CC[C@H](C)C3)cc(=O)oc2c1 ZINC000187931269 200178165 /nfs/dbraw/zinc/17/81/65/200178165.db2.gz LCLMJUCFSJJNNP-IFXJQAMLSA-N 1 0 315.413 3.084 10 0 DGAERO CCOc1ccccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188078551 200190473 /nfs/dbraw/zinc/19/04/73/200190473.db2.gz YMNMYUAEVVSCSP-IRXDYDNUSA-N 1 0 317.454 3.355 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]CCCCCOc1ccccc1 ZINC000188095536 200192921 /nfs/dbraw/zinc/19/29/21/200192921.db2.gz WGOOFZVOWAEGGB-KRWDZBQOSA-N 1 0 314.433 3.260 10 0 DGAERO C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@@H]1c1ccccc1 ZINC000237644356 202315484 /nfs/dbraw/zinc/31/54/84/202315484.db2.gz IZABRPKHBIDENO-KXBFYZLASA-N 1 0 308.425 3.411 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@H]1C ZINC000188312205 200226072 /nfs/dbraw/zinc/22/60/72/200226072.db2.gz WVUNTJODEIYZFN-DYVFJYSZSA-N 1 0 305.418 3.189 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)o1 ZINC000281096629 216075983 /nfs/dbraw/zinc/07/59/83/216075983.db2.gz VPRMHEHDLZHVTL-QWHCGFSZSA-N 1 0 308.422 3.494 10 0 DGAERO Cc1nn(C)c(C)c1C[NH2+]CC1(O)CCC(C(C)(C)C)CC1 ZINC000237703441 202332641 /nfs/dbraw/zinc/33/26/41/202332641.db2.gz PPZJYJMSUUHSCF-UHFFFAOYSA-N 1 0 307.482 3.094 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)Cc1ccccc1F)CC2 ZINC000188342688 200230453 /nfs/dbraw/zinc/23/04/53/200230453.db2.gz CQIDVHUHOPNJLU-HIFRSBDPSA-N 1 0 316.424 3.076 10 0 DGAERO [NH3+]CC1(NC(=O)c2ccc(Oc3ccccc3)o2)CCCC1 ZINC000237789247 202355844 /nfs/dbraw/zinc/35/58/44/202355844.db2.gz FGODCFLHJAMMGS-UHFFFAOYSA-N 1 0 300.358 3.073 10 0 DGAERO C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000188561222 200266557 /nfs/dbraw/zinc/26/65/57/200266557.db2.gz CVFTWDJNNMSRAA-YJBOKZPZSA-N 1 0 316.445 3.426 10 0 DGAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)CC2CCCC2)c1 ZINC000188631323 200278132 /nfs/dbraw/zinc/27/81/32/200278132.db2.gz IUTYJKXLBLJZIK-ACJLOTCBSA-N 1 0 304.434 3.237 10 0 DGAERO CC[C@@H](C)[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000170915849 432087183 /nfs/dbraw/zinc/08/71/83/432087183.db2.gz SQPGYHWYPNAMQL-MNOVXSKESA-N 1 0 306.233 3.463 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1OCc1ccccc1 ZINC000237923092 202391244 /nfs/dbraw/zinc/39/12/44/202391244.db2.gz XZACLHLNJBKVTJ-ZWKOTPCHSA-N 1 0 324.424 3.009 10 0 DGAERO Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(C)c1 ZINC000170931675 432087665 /nfs/dbraw/zinc/08/76/65/432087665.db2.gz JIJQALTWKOISFG-INIZCTEOSA-N 1 0 301.434 3.396 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC000189275449 200374340 /nfs/dbraw/zinc/37/43/40/200374340.db2.gz XQQIRBOSWXSVLO-HNNXBMFYSA-N 1 0 309.768 3.311 10 0 DGAERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1C ZINC000189321534 200381341 /nfs/dbraw/zinc/38/13/41/200381341.db2.gz NLBXLFLFPSVXHC-DOMZBBRYSA-N 1 0 310.825 3.025 10 0 DGAERO CCC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccn1 ZINC000180507799 432088618 /nfs/dbraw/zinc/08/86/18/432088618.db2.gz STFBNYVBAWUQPC-ZBFHGGJFSA-N 1 0 313.449 3.242 10 0 DGAERO C[C@@H](CNC(=O)C[C@H]1CCCc2ccccc21)[N@H+](C)C1CC1 ZINC000170981091 432091512 /nfs/dbraw/zinc/09/15/12/432091512.db2.gz HGWWHUABIMMZMF-GOEBONIOSA-N 1 0 300.446 3.096 10 0 DGAERO CCOC[C@H]([NH2+]CC(=O)Nc1c(CC)cccc1CC)C(C)C ZINC000189811196 432091785 /nfs/dbraw/zinc/09/17/85/432091785.db2.gz PLSJMLGIJWEGIR-KRWDZBQOSA-N 1 0 320.477 3.401 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)CC3 ZINC000180590985 432091891 /nfs/dbraw/zinc/09/18/91/432091891.db2.gz CWOZQRNOSUQDPD-RKVPGOIHSA-N 1 0 312.457 3.474 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000246088182 432092309 /nfs/dbraw/zinc/09/23/09/432092309.db2.gz UUULQPBHYAJWPM-GOEBONIOSA-N 1 0 319.449 3.198 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)ccc2C)[C@@H](C)C1 ZINC000246083140 432092577 /nfs/dbraw/zinc/09/25/77/432092577.db2.gz UEVJDMOOUJLPBU-RDJZCZTQSA-N 1 0 303.450 3.497 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)CC2 ZINC000180635632 432092393 /nfs/dbraw/zinc/09/23/93/432092393.db2.gz GOYAKDQLIVCJRN-ZWKOTPCHSA-N 1 0 324.472 3.327 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)CC2 ZINC000180635779 432092406 /nfs/dbraw/zinc/09/24/06/432092406.db2.gz HSSLKYDWQQFRKL-STQMWFEESA-N 1 0 310.511 3.226 10 0 DGAERO CCC[C@H](C(=O)NCc1c(OC)ccc2ccccc21)[NH+](C)C ZINC000134975875 432092885 /nfs/dbraw/zinc/09/28/85/432092885.db2.gz TWOYUEHEFCLSEB-QGZVFWFLSA-N 1 0 314.429 3.195 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000449683476 240366047 /nfs/dbraw/zinc/36/60/47/240366047.db2.gz NSMRFOHBZJRYPU-CYBMUJFWSA-N 1 0 303.431 3.111 10 0 DGAERO CCC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccn1 ZINC000180640841 432092671 /nfs/dbraw/zinc/09/26/71/432092671.db2.gz LQSHCOLYQUXGRA-GDBMZVCRSA-N 1 0 313.449 3.242 10 0 DGAERO c1nc(C2CC[NH+](CC[C@@H]3CCCCO3)CC2)n2c1CCCC2 ZINC000434740560 238237065 /nfs/dbraw/zinc/23/70/65/238237065.db2.gz WUMWFWLJDLITRN-SFHVURJKSA-N 1 0 317.477 3.358 10 0 DGAERO Cc1ccc([C@H]2CN(Cc3cn(C)nc3C(C)(C)C)CCO2)o1 ZINC000180644095 432093198 /nfs/dbraw/zinc/09/31/98/432093198.db2.gz SRRHHIBBYOFPSL-MRXNPFEDSA-N 1 0 317.433 3.193 10 0 DGAERO Cc1cccc(N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000435130944 238277427 /nfs/dbraw/zinc/27/74/27/238277427.db2.gz XCYLSRPOENXFHA-UHFFFAOYSA-N 1 0 322.412 3.300 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000246079389 432093485 /nfs/dbraw/zinc/09/34/85/432093485.db2.gz TUWGGJPYCZRCSS-RDJZCZTQSA-N 1 0 303.450 3.497 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000180661189 432095228 /nfs/dbraw/zinc/09/52/28/432095228.db2.gz QPACIIDBRFMELD-OAHLLOKOSA-N 1 0 320.396 3.162 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc(Cl)c1 ZINC000192812485 200945541 /nfs/dbraw/zinc/94/55/41/200945541.db2.gz UJENWYFSCXGKOQ-CJNGLKHVSA-N 1 0 316.836 3.450 10 0 DGAERO C[C@H]([NH3+])CCC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000193177514 201003762 /nfs/dbraw/zinc/00/37/62/201003762.db2.gz ZJRJONGCHHVHPW-YUMQZZPRSA-N 1 0 307.196 3.437 10 0 DGAERO Cc1cc(Sc2ncccn2)ccc1NC(=O)CC[C@H](C)[NH3+] ZINC000193233125 201010802 /nfs/dbraw/zinc/01/08/02/201010802.db2.gz ZUICLWRUMRDSAT-LBPRGKRZSA-N 1 0 316.430 3.002 10 0 DGAERO COC(=O)c1coc(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)c1 ZINC000171037065 432096125 /nfs/dbraw/zinc/09/61/25/432096125.db2.gz ASBHGWZBARCIRV-LBPRGKRZSA-N 1 0 320.414 3.211 10 0 DGAERO CCOC(=O)CCC[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000171037283 432096165 /nfs/dbraw/zinc/09/61/65/432096165.db2.gz MVIMRATUODWVOO-ZDUSSCGKSA-N 1 0 310.463 3.228 10 0 DGAERO CC(C)c1csc([C@H]2CCCN(C(=O)CC[C@H](C)[NH3+])C2)n1 ZINC000193319149 201028554 /nfs/dbraw/zinc/02/85/54/201028554.db2.gz JHNNSSBMLOHIFI-STQMWFEESA-N 1 0 309.479 3.100 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2ccccc2)s1 ZINC000246112757 432096368 /nfs/dbraw/zinc/09/63/68/432096368.db2.gz NTUWGFJRUWYKJZ-ZBFHGGJFSA-N 1 0 313.470 3.479 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cc(C)cc(C)c2)o1 ZINC000193601256 201083727 /nfs/dbraw/zinc/08/37/27/201083727.db2.gz HUICRIKVLALQCZ-CVEARBPZSA-N 1 0 303.402 3.295 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cc(C)cc(C)c2)o1 ZINC000193601272 201083895 /nfs/dbraw/zinc/08/38/95/201083895.db2.gz HUICRIKVLALQCZ-HOTGVXAUSA-N 1 0 303.402 3.295 10 0 DGAERO COC(=O)c1coc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000171033019 432096676 /nfs/dbraw/zinc/09/66/76/432096676.db2.gz GJKIQXIUCXRDAX-INIZCTEOSA-N 1 0 317.360 3.412 10 0 DGAERO [NH3+]CCN(Cc1ccccc1)C(=O)Cc1ccc2ccccc2c1 ZINC000194184535 201192392 /nfs/dbraw/zinc/19/23/92/201192392.db2.gz XBKRDGVPGUMZKC-UHFFFAOYSA-N 1 0 318.420 3.370 10 0 DGAERO Cc1cc(C)c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246130724 432098696 /nfs/dbraw/zinc/09/86/96/432098696.db2.gz IXKJKPAARSNINU-DLBZAZTESA-N 1 0 317.477 3.236 10 0 DGAERO C[C@H](c1ccco1)[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000194985833 201321740 /nfs/dbraw/zinc/32/17/40/201321740.db2.gz AUWARSPZUUWFPG-LLVKDONJSA-N 1 0 302.399 3.386 10 0 DGAERO CC[N@H+](Cc1ccc2c(c1)sc(=O)n2C)Cc1ccccn1 ZINC000195018171 201325866 /nfs/dbraw/zinc/32/58/66/201325866.db2.gz PPQPENLIQKYSQL-UHFFFAOYSA-N 1 0 313.426 3.017 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000443235480 239185278 /nfs/dbraw/zinc/18/52/78/239185278.db2.gz CHHCIKZSIOXILD-HOTGVXAUSA-N 1 0 319.493 3.374 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1OC ZINC000246159087 432100229 /nfs/dbraw/zinc/10/02/29/432100229.db2.gz GBHHCOYZJYFPQO-BMFZPTHFSA-N 1 0 303.402 3.001 10 0 DGAERO O=C(C[N@@H+]1CCCC12CCC2)NCCc1ccc(Cl)cc1 ZINC000444772578 239348940 /nfs/dbraw/zinc/34/89/40/239348940.db2.gz AYYJNORKYVHADZ-UHFFFAOYSA-N 1 0 306.837 3.017 10 0 DGAERO CC1(C)CCC[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000171067110 432100315 /nfs/dbraw/zinc/10/03/15/432100315.db2.gz CCJNEJNRXPXRGO-QGZVFWFLSA-N 1 0 300.446 3.445 10 0 DGAERO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCCC23CCC3)c1 ZINC000444778277 239350826 /nfs/dbraw/zinc/35/08/26/239350826.db2.gz VSIBSTNESBBRTG-AWEZNQCLSA-N 1 0 309.837 3.407 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000171075970 432100358 /nfs/dbraw/zinc/10/03/58/432100358.db2.gz BYIVQPWHKSCDHU-HNNXBMFYSA-N 1 0 317.433 3.176 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000171070615 432100681 /nfs/dbraw/zinc/10/06/81/432100681.db2.gz DVRBTXSGUUSEPL-SFHVURJKSA-N 1 0 323.440 3.445 10 0 DGAERO COc1c(C)cnc(CN2CCC[C@H]2C[NH+]2CCCCC2)c1C ZINC000069607825 283732334 /nfs/dbraw/zinc/73/23/34/283732334.db2.gz ANDJWLYPHNNULA-KRWDZBQOSA-N 1 0 317.477 3.157 10 0 DGAERO CSc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1F ZINC000245720231 202540696 /nfs/dbraw/zinc/54/06/96/202540696.db2.gz HHWPLSFXUIPHPF-BXUZGUMPSA-N 1 0 310.438 3.006 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000246150593 432101031 /nfs/dbraw/zinc/10/10/31/432101031.db2.gz FRYOZBBLKOTJHG-ZIAGYGMSSA-N 1 0 320.399 3.442 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1SCCc2ccccc21 ZINC000246167601 432101838 /nfs/dbraw/zinc/10/18/38/432101838.db2.gz ISTLIOPJOSUZLQ-RHSMWYFYSA-N 1 0 318.486 3.008 10 0 DGAERO Cc1c(Cl)cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1Cl ZINC000171082425 432103012 /nfs/dbraw/zinc/10/30/12/432103012.db2.gz BSRUQUGPYXEFJP-NSHDSACASA-N 1 0 316.232 3.470 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000189900343 432103303 /nfs/dbraw/zinc/10/33/03/432103303.db2.gz KLWRKRVMYMASBU-CQSZACIVSA-N 1 0 309.429 3.178 10 0 DGAERO C[C@@H](C[NH2+]CC(=O)NC1CCCCC1)c1cc(F)cc(F)c1 ZINC000449120446 240027668 /nfs/dbraw/zinc/02/76/68/240027668.db2.gz CZLHCTYMKBOMDZ-LBPRGKRZSA-N 1 0 310.388 3.107 10 0 DGAERO Cc1ccc([C@H](C)C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449156496 240042203 /nfs/dbraw/zinc/04/22/03/240042203.db2.gz DPAUNHCPPOTHST-OAHLLOKOSA-N 1 0 317.454 3.292 10 0 DGAERO C[C@@H](C[NH2+]C[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000449172903 240051578 /nfs/dbraw/zinc/05/15/78/240051578.db2.gz NAXRBJGZJYQJPF-BBRMVZONSA-N 1 0 305.368 3.434 10 0 DGAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)o1 ZINC000275396884 212308269 /nfs/dbraw/zinc/30/82/69/212308269.db2.gz CESCYXYOEAKANM-BWQRHGBYSA-N 1 0 315.417 3.004 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000449248396 240089816 /nfs/dbraw/zinc/08/98/16/240089816.db2.gz JBEBHMPDSNCHFS-OAHLLOKOSA-N 1 0 321.467 3.319 10 0 DGAERO C[C@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)o1 ZINC000275396888 212308150 /nfs/dbraw/zinc/30/81/50/212308150.db2.gz CESCYXYOEAKANM-FHKFTOANSA-N 1 0 315.417 3.004 10 0 DGAERO CCC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)C1CCCC1 ZINC000449260834 240096162 /nfs/dbraw/zinc/09/61/62/240096162.db2.gz YTCANBNDPJKOLV-SFHVURJKSA-N 1 0 317.477 3.367 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCN1CCCO ZINC000449384222 240168109 /nfs/dbraw/zinc/16/81/09/240168109.db2.gz AKBWEQQDPFVTMC-NKAIQICCSA-N 1 0 322.880 3.180 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H](C)C2CCC2)c(OC)c1 ZINC000449466648 240222527 /nfs/dbraw/zinc/22/25/27/240222527.db2.gz HUBRJGHKNZWELB-STQMWFEESA-N 1 0 307.434 3.422 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H](C)CC2CC2)c(OC)c1 ZINC000449467327 240224340 /nfs/dbraw/zinc/22/43/40/240224340.db2.gz LUFJTLKANLAESP-STQMWFEESA-N 1 0 307.434 3.422 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@H](C)CC2CC2)c(OC)c1 ZINC000449467322 240226137 /nfs/dbraw/zinc/22/61/37/240226137.db2.gz LUFJTLKANLAESP-OLZOCXBDSA-N 1 0 307.434 3.422 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2cccs2)c(OC)c1 ZINC000449468839 240226393 /nfs/dbraw/zinc/22/63/93/240226393.db2.gz QUHHEPYLVNPRNX-LBPRGKRZSA-N 1 0 321.442 3.495 10 0 DGAERO c1nc(C2CC2)oc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000449699144 240375897 /nfs/dbraw/zinc/37/58/97/240375897.db2.gz PZGBAKWFZGXPNO-QGZVFWFLSA-N 1 0 311.429 3.306 10 0 DGAERO CC[C@@H]1N(C(=O)OCc2ccccc2)CCC[C@@]12CCC[NH2+]2 ZINC000091303096 193035315 /nfs/dbraw/zinc/03/53/15/193035315.db2.gz JRDBKLGLOKKWDZ-WMZOPIPTSA-N 1 0 302.418 3.320 10 0 DGAERO Cn1cc(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)cn1 ZINC000091306047 193036456 /nfs/dbraw/zinc/03/64/56/193036456.db2.gz KRVOTHWMKDNTRV-HNNXBMFYSA-N 1 0 320.234 3.424 10 0 DGAERO COc1cc([C@H](C)[NH2+]Cc2cncnc2)ccc1OCC(C)C ZINC000171131805 432106621 /nfs/dbraw/zinc/10/66/21/432106621.db2.gz ITBPHWFGUIXILQ-AWEZNQCLSA-N 1 0 315.417 3.371 10 0 DGAERO CCc1cnc(CC[NH2+][C@@H](C)c2nc3ccccc3n2C)s1 ZINC000091349170 193045427 /nfs/dbraw/zinc/04/54/27/193045427.db2.gz WEHIGJLCZOXAOR-LBPRGKRZSA-N 1 0 314.458 3.486 10 0 DGAERO CC(C)CC1(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CCC1 ZINC000091370162 193048042 /nfs/dbraw/zinc/04/80/42/193048042.db2.gz JKXIAUUSDFVLOR-CQSZACIVSA-N 1 0 324.490 3.201 10 0 DGAERO CC(C)[C@@H]([NH2+]CC1(CO)COC1)c1ccc(Cl)c(Cl)c1 ZINC000091401093 193049882 /nfs/dbraw/zinc/04/98/82/193049882.db2.gz NMKQVNUSTOHVGR-CQSZACIVSA-N 1 0 318.244 3.289 10 0 DGAERO C[C@H]([NH2+]CC1CCC(C)(C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091407506 193052140 /nfs/dbraw/zinc/05/21/40/193052140.db2.gz MUFSJEHAGFQAJN-ZDUSSCGKSA-N 1 0 324.490 3.201 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(F)c(Cl)cc1Cl ZINC000091666980 193088012 /nfs/dbraw/zinc/08/80/12/193088012.db2.gz QNNWFXJDDNBSDV-ZJUUUORDSA-N 1 0 321.223 3.114 10 0 DGAERO Cc1noc([C@@H]2CCC[N@@H+](Cc3cnc(CC(C)C)s3)C2)n1 ZINC000091833477 193114693 /nfs/dbraw/zinc/11/46/93/193114693.db2.gz KNFLVOLTAVSVNW-CYBMUJFWSA-N 1 0 320.462 3.413 10 0 DGAERO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180966746 432107461 /nfs/dbraw/zinc/10/74/61/432107461.db2.gz NTQMNHRUILGLLJ-ZIAGYGMSSA-N 1 0 314.385 3.206 10 0 DGAERO COCCCOc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000091979456 193136336 /nfs/dbraw/zinc/13/63/36/193136336.db2.gz ARYIXBJEPOJGCC-OALUTQOASA-N 1 0 319.445 3.245 10 0 DGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000079306358 283878101 /nfs/dbraw/zinc/87/81/01/283878101.db2.gz KCJIMFUFNLCDNS-OLZOCXBDSA-N 1 0 322.449 3.048 10 0 DGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCSC1 ZINC000180949812 432108106 /nfs/dbraw/zinc/10/81/06/432108106.db2.gz FATYROKCLXTTNP-LLVKDONJSA-N 1 0 302.237 3.053 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451311115 241077196 /nfs/dbraw/zinc/07/71/96/241077196.db2.gz SECGWVREZPIVPW-UONOGXRCSA-N 1 0 319.367 3.126 10 0 DGAERO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000180977809 432108317 /nfs/dbraw/zinc/10/83/17/432108317.db2.gz POQQJVMPOGYGRG-YDHLFZDLSA-N 1 0 307.507 3.401 10 0 DGAERO Cn1cccc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246220413 432108752 /nfs/dbraw/zinc/10/87/52/432108752.db2.gz FJQSCPJLORFOOL-SJORKVTESA-N 1 0 321.827 3.353 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451807121 241242126 /nfs/dbraw/zinc/24/21/26/241242126.db2.gz GXRYEFSTCVKUEJ-AWEZNQCLSA-N 1 0 314.429 3.142 10 0 DGAERO CCCc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000452171956 241340389 /nfs/dbraw/zinc/34/03/89/241340389.db2.gz SYSRBLZARQGHSP-HNNXBMFYSA-N 1 0 300.446 3.195 10 0 DGAERO Cc1ccc(C[C@H](C)N(C)C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000246232114 432110778 /nfs/dbraw/zinc/11/07/78/432110778.db2.gz HZILGMQDWXEQQK-LNLFQRSKSA-N 1 0 316.489 3.410 10 0 DGAERO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@@H](O)c1ccccc1Cl ZINC000246234152 432110693 /nfs/dbraw/zinc/11/06/93/432110693.db2.gz GRIIELRRKRDHFR-DOTOQJQBSA-N 1 0 319.836 3.116 10 0 DGAERO C[C@@H](C[NH2+]CC1(CCO)CC1)c1cccc(Br)c1 ZINC000190001896 432111462 /nfs/dbraw/zinc/11/14/62/432111462.db2.gz XJNSBCZSYKVJEH-LBPRGKRZSA-N 1 0 312.251 3.305 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3ccccc3c2O)C1 ZINC000246255177 432111776 /nfs/dbraw/zinc/11/17/76/432111776.db2.gz KGQNYBHJPIOJFX-MAUKXSAKSA-N 1 0 324.424 3.102 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000455036613 242092931 /nfs/dbraw/zinc/09/29/31/242092931.db2.gz QVKITSCLKBVUBF-QGZVFWFLSA-N 1 0 307.482 3.250 10 0 DGAERO C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000456168168 242367605 /nfs/dbraw/zinc/36/76/05/242367605.db2.gz KZLFUTDTUZDNAP-ZFWWWQNUSA-N 1 0 324.415 3.305 10 0 DGAERO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000456169899 242368714 /nfs/dbraw/zinc/36/87/14/242368714.db2.gz MXJYSECNLWXCJL-UHFFFAOYSA-N 1 0 320.481 3.308 10 0 DGAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2OC)cc1 ZINC000092098684 193158276 /nfs/dbraw/zinc/15/82/76/193158276.db2.gz HPVIQFCUGVOHFM-GOSISDBHSA-N 1 0 324.424 3.073 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc1NC(C)=O ZINC000090966158 283997020 /nfs/dbraw/zinc/99/70/20/283997020.db2.gz XMQBOZWSWOQMSM-UPJWGTAASA-N 1 0 320.433 3.260 10 0 DGAERO C[C@H]([NH2+]CCCCC1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091349394 284000435 /nfs/dbraw/zinc/00/04/35/284000435.db2.gz OVEZWCBRKHNFPX-AWEZNQCLSA-N 1 0 324.490 3.345 10 0 DGAERO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000190023520 432115124 /nfs/dbraw/zinc/11/51/24/432115124.db2.gz ULFUPHWFQPASRN-KZNAEPCWSA-N 1 0 323.502 3.218 10 0 DGAERO CCC[C@@H](C(=O)N1CC=C(c2cccc(C)c2)CC1)[NH+](C)C ZINC000092695264 284007986 /nfs/dbraw/zinc/00/79/86/284007986.db2.gz QBPDRPVTOGMLTO-SFHVURJKSA-N 1 0 300.446 3.341 10 0 DGAERO c1ccc(OCC2CC2)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000092757110 284008082 /nfs/dbraw/zinc/00/80/82/284008082.db2.gz NOAOXNCBBJBHEW-SFHVURJKSA-N 1 0 300.446 3.146 10 0 DGAERO CCC[NH+]1CCC(N(C)Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000092166010 193169463 /nfs/dbraw/zinc/16/94/63/193169463.db2.gz XQBPQYCLRSXUBF-UHFFFAOYSA-N 1 0 312.461 3.383 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)Cc1c[nH]nc1-c1cccnc1 ZINC000092162128 193168638 /nfs/dbraw/zinc/16/86/38/193168638.db2.gz YBNCAGXODXRORP-UHFFFAOYSA-N 1 0 310.376 3.285 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccc(F)cc1 ZINC000103069992 284026113 /nfs/dbraw/zinc/02/61/13/284026113.db2.gz GXXWKGSBQIDRJS-AWEZNQCLSA-N 1 0 306.425 3.094 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H]2CCCC[C@H]2C)cc1F ZINC000102699259 284023520 /nfs/dbraw/zinc/02/35/20/284023520.db2.gz CPJVEYAERWRWCU-DVOMOZLQSA-N 1 0 322.424 3.180 10 0 DGAERO CC(=O)Nc1ccc(C[NH+]2CCC(OCC(C)C)CC2)cc1 ZINC000092223135 193176845 /nfs/dbraw/zinc/17/68/45/193176845.db2.gz KFYDFLIOUOUZOR-UHFFFAOYSA-N 1 0 304.434 3.282 10 0 DGAERO CC[NH+](CC)[C@H](C(=O)NCc1cccc(C)n1)c1ccccc1 ZINC000104856247 284037747 /nfs/dbraw/zinc/03/77/47/284037747.db2.gz AJCOZLORBFAUKM-SFHVURJKSA-N 1 0 311.429 3.089 10 0 DGAERO CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1cccc(Cl)c1 ZINC000249839858 202816336 /nfs/dbraw/zinc/81/63/36/202816336.db2.gz FVNPTNBVPQOYQN-WQVCFCJDSA-N 1 0 308.853 3.194 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CCCCCC3)CC[C@@H]21 ZINC000459020249 243228462 /nfs/dbraw/zinc/22/84/62/243228462.db2.gz KUBFQYAIMQLOIW-IRXDYDNUSA-N 1 0 307.482 3.083 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000108335492 284060105 /nfs/dbraw/zinc/06/01/05/284060105.db2.gz ZGZUBBMBOCKFSB-LLVKDONJSA-N 1 0 306.793 3.158 10 0 DGAERO CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459323017 243334548 /nfs/dbraw/zinc/33/45/48/243334548.db2.gz JASILHKKYDXBKJ-NEWSRXKRSA-N 1 0 314.473 3.418 10 0 DGAERO C[N@H+](CC1CCC(F)(F)CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000459341432 243342488 /nfs/dbraw/zinc/34/24/88/243342488.db2.gz WGQGTCNTQYZTMY-OAHLLOKOSA-N 1 0 324.419 3.203 10 0 DGAERO Clc1cnn(CCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000459348567 243344270 /nfs/dbraw/zinc/34/42/70/243344270.db2.gz YYDDXMBLBQHKBE-INIZCTEOSA-N 1 0 324.900 3.125 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109121196 284065267 /nfs/dbraw/zinc/06/52/67/284065267.db2.gz SIFSEJRDBJNAMM-KFWWJZLASA-N 1 0 324.415 3.161 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@@H]1SC ZINC000459421203 243364591 /nfs/dbraw/zinc/36/45/91/243364591.db2.gz DHSMIBLDAYGSDC-MJBXVCDLSA-N 1 0 317.401 3.287 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000112113645 284084107 /nfs/dbraw/zinc/08/41/07/284084107.db2.gz MMYRHQILXNDYAX-CQSZACIVSA-N 1 0 302.462 3.291 10 0 DGAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000112675717 284094335 /nfs/dbraw/zinc/09/43/35/284094335.db2.gz ZYTDTMIEPWMASG-DLBZAZTESA-N 1 0 309.475 3.395 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccc2ccccc2c1 ZINC000113229739 284100741 /nfs/dbraw/zinc/10/07/41/284100741.db2.gz KTZHNWDQSGRUBJ-OXJNMPFZSA-N 1 0 322.452 3.468 10 0 DGAERO CC[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000113582412 284103044 /nfs/dbraw/zinc/10/30/44/284103044.db2.gz QTQROPNGYZOBMY-JZXOWHBKSA-N 1 0 315.461 3.058 10 0 DGAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc(Cl)c1 ZINC000113579544 284103138 /nfs/dbraw/zinc/10/31/38/284103138.db2.gz PQCZEBIDJVFWHB-HEHGZKQESA-N 1 0 321.852 3.279 10 0 DGAERO CCC[NH+](CCC)CCCc1nc(-c2ccc(OC)nc2)no1 ZINC000113724341 284104124 /nfs/dbraw/zinc/10/41/24/284104124.db2.gz DOMBUYASZMHRNK-UHFFFAOYSA-N 1 0 318.421 3.195 10 0 DGAERO CC[N@H+](CC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F)C1CC1 ZINC000246309940 432118968 /nfs/dbraw/zinc/11/89/68/432118968.db2.gz QMTZKGQLEARQKK-GUYCJALGSA-N 1 0 304.409 3.220 10 0 DGAERO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)s1 ZINC000468893344 244071758 /nfs/dbraw/zinc/07/17/58/244071758.db2.gz GATAGNZLCDVVJU-UONOGXRCSA-N 1 0 313.488 3.210 10 0 DGAERO CC[C@@H](C)C[NH2+]C[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000093082017 193200089 /nfs/dbraw/zinc/20/00/89/193200089.db2.gz CFVMTUUDQRWYQL-CABCVRRESA-N 1 0 306.450 3.166 10 0 DGAERO O[C@@H](C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)CC(F)(F)F ZINC000469579195 244112325 /nfs/dbraw/zinc/11/23/25/244112325.db2.gz TYKHIDPIDYTWGP-HUUCEWRRSA-N 1 0 301.352 3.397 10 0 DGAERO CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000117037485 284122730 /nfs/dbraw/zinc/12/27/30/284122730.db2.gz UJKKRXDFCQEQDO-AEFFLSMTSA-N 1 0 317.477 3.481 10 0 DGAERO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000470944336 244195707 /nfs/dbraw/zinc/19/57/07/244195707.db2.gz JNCHEFURDAHIML-GUTXKFCHSA-N 1 0 317.351 3.007 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000470950835 244197225 /nfs/dbraw/zinc/19/72/25/244197225.db2.gz SLFCQALJBVNLPI-ZWNOBZJWSA-N 1 0 303.324 3.477 10 0 DGAERO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCc1nc2ccccc2n1C ZINC000470939370 244197583 /nfs/dbraw/zinc/19/75/83/244197583.db2.gz DXFLTUGJVPVXLM-RYUDHWBXSA-N 1 0 311.351 3.389 10 0 DGAERO COC(=O)c1ccccc1CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470942426 244197667 /nfs/dbraw/zinc/19/76/67/244197667.db2.gz ALWGXGWTXIFJBP-SMDDNHRTSA-N 1 0 315.335 3.288 10 0 DGAERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)NCC1CCCCC1 ZINC000470957003 244199442 /nfs/dbraw/zinc/19/94/42/244199442.db2.gz VDXMGKCYVAKKIO-TZMCWYRMSA-N 1 0 320.399 3.346 10 0 DGAERO COc1ccccc1CC[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000093105369 193204224 /nfs/dbraw/zinc/20/42/24/193204224.db2.gz DNUTWHGCUIAOBL-UHFFFAOYSA-N 1 0 301.434 3.321 10 0 DGAERO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000471819982 244251977 /nfs/dbraw/zinc/25/19/77/244251977.db2.gz LAADLRMHOHDDCF-CVEARBPZSA-N 1 0 305.418 3.299 10 0 DGAERO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119021871 284132383 /nfs/dbraw/zinc/13/23/83/284132383.db2.gz YUTUDWROYBJRHC-DLBZAZTESA-N 1 0 302.462 3.292 10 0 DGAERO CCC[N@@H+](Cc1ccc(C(=O)OCC)o1)C[C@@H]1CCCCO1 ZINC000093132508 193206074 /nfs/dbraw/zinc/20/60/74/193206074.db2.gz WXBNZICLTMTTML-AWEZNQCLSA-N 1 0 309.406 3.237 10 0 DGAERO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119081949 284133787 /nfs/dbraw/zinc/13/37/87/284133787.db2.gz VBDYIWFDSLMQJN-WPAISBQESA-N 1 0 321.509 3.469 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000119337208 284141152 /nfs/dbraw/zinc/14/11/52/284141152.db2.gz ISTBCRMMRZLMFL-INIZCTEOSA-N 1 0 309.425 3.361 10 0 DGAERO CC[C@@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181275904 432120312 /nfs/dbraw/zinc/12/03/12/432120312.db2.gz ZUZDOWYLHDGQSJ-SECBINFHSA-N 1 0 309.211 3.122 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000093639832 193278451 /nfs/dbraw/zinc/27/84/51/193278451.db2.gz UOAKFGXKTCORNF-BEFAXECRSA-N 1 0 312.461 3.239 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C/C=C/c2ccccc2OC)C1 ZINC000093742236 193298631 /nfs/dbraw/zinc/29/86/31/193298631.db2.gz QZQOABMYOGCQBJ-UGAXZCSASA-N 1 0 302.462 3.372 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccccc1NC(C)=O ZINC000093764685 193301327 /nfs/dbraw/zinc/30/13/27/193301327.db2.gz KLMTYEQPMQZDRP-UHFFFAOYSA-N 1 0 303.431 3.166 10 0 DGAERO CCc1nn(C)c(CC)c1C[N@H+](CCc1nccs1)C(C)C ZINC000093764387 193301627 /nfs/dbraw/zinc/30/16/27/193301627.db2.gz HUUXEAOKLXHXKW-UHFFFAOYSA-N 1 0 320.506 3.455 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cnc2ccc(C)cn12 ZINC000093764746 193301899 /nfs/dbraw/zinc/30/18/99/193301899.db2.gz YQTBTXQHTVGWOO-UHFFFAOYSA-N 1 0 300.431 3.164 10 0 DGAERO CC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)CCN1CC(F)F ZINC000093767316 193304032 /nfs/dbraw/zinc/30/40/32/193304032.db2.gz JADZSIAMHPCPFP-AWEZNQCLSA-N 1 0 307.388 3.329 10 0 DGAERO COc1ccc(C[N@H+](C)CCc2ncc(C)s2)c(OC)c1 ZINC000093773434 193305386 /nfs/dbraw/zinc/30/53/86/193305386.db2.gz YQDQPEXTWNOXQX-UHFFFAOYSA-N 1 0 306.431 3.143 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2cccc3c2OC(C)(C)C3)CC[N@@H+]1C ZINC000093644192 193281924 /nfs/dbraw/zinc/28/19/24/193281924.db2.gz PHNXIXBSFWRBCR-WMLDXEAASA-N 1 0 302.462 3.315 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000093644332 193282103 /nfs/dbraw/zinc/28/21/03/193282103.db2.gz LOPNLKGKDNANEJ-QAPCUYQASA-N 1 0 312.461 3.300 10 0 DGAERO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(C)C ZINC000093643863 193282533 /nfs/dbraw/zinc/28/25/33/193282533.db2.gz IXCKAJKJUPDDBP-WBVHZDCISA-N 1 0 320.477 3.397 10 0 DGAERO C[C@@H]1CCC[N@H+](CCNC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000120567429 284172583 /nfs/dbraw/zinc/17/25/83/284172583.db2.gz CINPHEUIEOJVTE-CQSZACIVSA-N 1 0 324.415 3.136 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094670441 193390863 /nfs/dbraw/zinc/39/08/63/193390863.db2.gz MHNBRPQALLJUPT-LDYMZIIASA-N 1 0 317.614 3.168 10 0 DGAERO COC(=O)c1ccc(C[N@H+](Cc2cccs2)C(C)C)nc1 ZINC000094762437 193395486 /nfs/dbraw/zinc/39/54/86/193395486.db2.gz XMPLNCRMKICFBX-UHFFFAOYSA-N 1 0 304.415 3.340 10 0 DGAERO COc1ccccc1/C=C/C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000121177567 284190287 /nfs/dbraw/zinc/19/02/87/284190287.db2.gz UIPFFRVXBZVESB-PKNBQFBNSA-N 1 0 318.461 3.239 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246347825 432121735 /nfs/dbraw/zinc/12/17/35/432121735.db2.gz HOXHNYQZSONTGM-ABAIWWIYSA-N 1 0 309.841 3.499 10 0 DGAERO CSC[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000135469044 432121760 /nfs/dbraw/zinc/12/17/60/432121760.db2.gz IGEWTCZIOJMXNX-AWEZNQCLSA-N 1 0 303.431 3.372 10 0 DGAERO CC(=O)c1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000121986482 284210226 /nfs/dbraw/zinc/21/02/26/284210226.db2.gz QHROEQKVVWDQGZ-UHFFFAOYSA-N 1 0 317.433 3.131 10 0 DGAERO CN1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122051665 284212151 /nfs/dbraw/zinc/21/21/51/284212151.db2.gz MYZMAABEBCGBBG-FUHWJXTLSA-N 1 0 300.446 3.073 10 0 DGAERO c1ccc(COc2cncc(CN3CCOCC4(CC4)C3)c2)cc1 ZINC000488272090 245171353 /nfs/dbraw/zinc/17/13/53/245171353.db2.gz MBYLUGATNLLDSI-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO C[C@H](c1nc(C(C)(C)C)no1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123479723 284239748 /nfs/dbraw/zinc/23/97/48/284239748.db2.gz CECTXLCNDPRJHJ-CQSZACIVSA-N 1 0 322.497 3.482 10 0 DGAERO COc1cccc(-c2nc(C[N@@H+]3CC[C@H](CO)[C@H]3C)cs2)c1 ZINC000488734259 245225667 /nfs/dbraw/zinc/22/56/67/245225667.db2.gz QPQVLRUZOWBKQE-TZMCWYRMSA-N 1 0 318.442 3.021 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCCC2(C)C)[C@@H](C)C1 ZINC000246366018 432123213 /nfs/dbraw/zinc/12/32/13/432123213.db2.gz HAWXOMRTOOJAAW-JYJNAYRXSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@H]1[C@@H](CO)CC[N@@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000488809069 245236180 /nfs/dbraw/zinc/23/61/80/245236180.db2.gz SMEODCRAAXEHIP-JKSUJKDBSA-N 1 0 305.462 3.456 10 0 DGAERO C[C@H]1[C@H](CO)CC[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000488807116 245236683 /nfs/dbraw/zinc/23/66/83/245236683.db2.gz OKANBDUTCRJMRD-QWRGUYRKSA-N 1 0 304.217 3.075 10 0 DGAERO CC1CC[NH+](CCCNC(=O)C(C)(C)c2ccccc2F)CC1 ZINC000124030496 284251662 /nfs/dbraw/zinc/25/16/62/284251662.db2.gz MXTSNWTVAKXTLJ-UHFFFAOYSA-N 1 0 320.452 3.342 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489628048 245331443 /nfs/dbraw/zinc/33/14/43/245331443.db2.gz IMVYLOPGDFVUJK-GRZALLJUSA-N 1 0 315.461 3.092 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cccc(F)c1 ZINC000124173517 284254352 /nfs/dbraw/zinc/25/43/52/284254352.db2.gz YLLGGGMVFWDNPN-QGZVFWFLSA-N 1 0 321.440 3.088 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(F)c(F)c1 ZINC000008248196 181540194 /nfs/dbraw/zinc/54/01/94/181540194.db2.gz XXFIJXPMEQRDMD-JTQLQIEISA-N 1 0 308.303 3.393 10 0 DGAERO CCCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246376268 432124417 /nfs/dbraw/zinc/12/44/17/432124417.db2.gz APFWAWXWOPZTAT-FUHWJXTLSA-N 1 0 317.477 3.481 10 0 DGAERO CC(C)OC(=O)[C@@H]1CCCN1Cc1cc(F)cc2cccnc21 ZINC000125307676 284273288 /nfs/dbraw/zinc/27/32/88/284273288.db2.gz LLYXPRRDWNXMNV-INIZCTEOSA-N 1 0 316.376 3.290 10 0 DGAERO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1 ZINC000125308565 284272997 /nfs/dbraw/zinc/27/29/97/284272997.db2.gz YVRHQHDAWUWDLS-OAHLLOKOSA-N 1 0 312.413 3.202 10 0 DGAERO CCc1cc(C)c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000125400792 284275255 /nfs/dbraw/zinc/27/52/55/284275255.db2.gz LKGPELUWEFFDPL-OAHLLOKOSA-N 1 0 314.429 3.401 10 0 DGAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000282485587 217031987 /nfs/dbraw/zinc/03/19/87/217031987.db2.gz VRCGCDSNCZTHSV-DNVCBOLYSA-N 1 0 324.424 3.022 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)CC1CC(O)C1 ZINC000190150308 432126067 /nfs/dbraw/zinc/12/60/67/432126067.db2.gz GBTOZITUSSWNSC-QQFBHYJXSA-N 1 0 318.461 3.148 10 0 DGAERO Cc1cccc(NC[C@@H]2CCN(c3cnc4ccccc4n3)C2)[nH+]1 ZINC000171365677 432126927 /nfs/dbraw/zinc/12/69/27/432126927.db2.gz FBRDOPVVGLYHJV-HNNXBMFYSA-N 1 0 319.412 3.272 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731148 217207919 /nfs/dbraw/zinc/20/79/19/217207919.db2.gz MGFQXEZVBOCIRX-RDJZCZTQSA-N 1 0 301.434 3.092 10 0 DGAERO C[NH+]1CCC(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000127422542 284338909 /nfs/dbraw/zinc/33/89/09/284338909.db2.gz GSYMHZRBXCNWHX-UHFFFAOYSA-N 1 0 316.376 3.157 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)Cc1ccc(F)cc1Cl ZINC000127516020 284342759 /nfs/dbraw/zinc/34/27/59/284342759.db2.gz XFUUNYHISVRWDE-UHFFFAOYSA-N 1 0 323.799 3.191 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)c(Cl)c1OC ZINC000135604052 432127964 /nfs/dbraw/zinc/12/79/64/432127964.db2.gz ARCGEDGLCSNGKK-OLZOCXBDSA-N 1 0 313.825 3.140 10 0 DGAERO CC[C@]1(C)CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1 ZINC000135607294 432128142 /nfs/dbraw/zinc/12/81/42/432128142.db2.gz UPFOSJNAFDJDDT-QGZVFWFLSA-N 1 0 303.381 3.012 10 0 DGAERO C[C@@]1(C[NH2+][C@H]2CCN(CCc3ccccc3)C2)CCCS1 ZINC000127885609 284356487 /nfs/dbraw/zinc/35/64/87/284356487.db2.gz WXJJRZSJRGOYLI-ROUUACIJSA-N 1 0 304.503 3.179 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246421132 432128286 /nfs/dbraw/zinc/12/82/86/432128286.db2.gz SEDWEFBNCRNUDW-ZOBUZTSGSA-N 1 0 318.461 3.419 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000127983853 284359870 /nfs/dbraw/zinc/35/98/70/284359870.db2.gz GJIHVGMUDKODAT-WCQYABFASA-N 1 0 323.403 3.137 10 0 DGAERO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000181415878 432128448 /nfs/dbraw/zinc/12/84/48/432128448.db2.gz PZANFEUMFRPOHD-GFCCVEGCSA-N 1 0 303.855 3.204 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000161216538 197475380 /nfs/dbraw/zinc/47/53/80/197475380.db2.gz LAQJTVITDZFONL-UHFFFAOYSA-N 1 0 301.390 3.354 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000128672314 284383000 /nfs/dbraw/zinc/38/30/00/284383000.db2.gz CPEBCPVYBGDWCP-YVSFHVDLSA-N 1 0 309.498 3.184 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1cncc(F)c1)N(C)C(=O)OC(C)(C)C ZINC000282959680 217352720 /nfs/dbraw/zinc/35/27/20/217352720.db2.gz YHOAVYMIJBLOCG-VXGBXAGGSA-N 1 0 311.401 3.127 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1C(F)(F)F ZINC000128925071 284391741 /nfs/dbraw/zinc/39/17/41/284391741.db2.gz JMPMNDOOKKIBRW-LBPRGKRZSA-N 1 0 316.367 3.412 10 0 DGAERO CCCCN(C)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000019393942 182120437 /nfs/dbraw/zinc/12/04/37/182120437.db2.gz WSXMVYBZMDSZQR-CYBMUJFWSA-N 1 0 303.219 3.320 10 0 DGAERO [NH3+][C@H](c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000019841531 182156098 /nfs/dbraw/zinc/15/60/98/182156098.db2.gz FDESXXJAPMRMHT-OAHLLOKOSA-N 1 0 320.186 3.268 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000129463962 284411062 /nfs/dbraw/zinc/41/10/62/284411062.db2.gz IMWGHDMKLQDIRV-FZMZJTMJSA-N 1 0 305.315 3.485 10 0 DGAERO O=C(C[NH2+]CCc1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000019979234 182173105 /nfs/dbraw/zinc/17/31/05/182173105.db2.gz XJKBGGARLYFREA-UHFFFAOYSA-N 1 0 306.768 3.250 10 0 DGAERO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000019985248 182173896 /nfs/dbraw/zinc/17/38/96/182173896.db2.gz QCPKGDQNEULHJH-LLVKDONJSA-N 1 0 304.312 3.230 10 0 DGAERO [NH3+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1Cl ZINC000019988291 182174726 /nfs/dbraw/zinc/17/47/26/182174726.db2.gz RYRGFCMAPFRYQT-CYBMUJFWSA-N 1 0 308.168 3.211 10 0 DGAERO Cc1ccc(CCC(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000129565132 284414457 /nfs/dbraw/zinc/41/44/57/284414457.db2.gz FCHLTGCRBQPEFB-UHFFFAOYSA-N 1 0 316.489 3.473 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000129645873 284418580 /nfs/dbraw/zinc/41/85/80/284418580.db2.gz BDZHFDYIYCRNRR-ZIAGYGMSSA-N 1 0 321.465 3.492 10 0 DGAERO CCC1(CC)[C@H](N(C)Cc2nnc(C3CCC3)n2C)C[C@@H]1OC ZINC000181507465 432132044 /nfs/dbraw/zinc/13/20/44/432132044.db2.gz DRPJIZJIPWUYOC-CABCVRRESA-N 1 0 320.481 3.108 10 0 DGAERO O=C(Nc1nc2ccccc2s1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000020021757 182179870 /nfs/dbraw/zinc/17/98/70/182179870.db2.gz PGTAJMVGCUNNON-GMXVVIOVSA-N 1 0 301.415 3.156 10 0 DGAERO Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000020032960 182182490 /nfs/dbraw/zinc/18/24/90/182182490.db2.gz UCNDLSQOIMPCEB-GFCCVEGCSA-N 1 0 311.223 3.147 10 0 DGAERO COc1ccc(CN(C)[C@H](C[NH3+])c2cccc(Cl)c2)cc1 ZINC000020225971 182198973 /nfs/dbraw/zinc/19/89/73/182198973.db2.gz DEVOFWFAGVJCRL-QGZVFWFLSA-N 1 0 304.821 3.480 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H](c2cccs2)N(C)C)cc(C)c1O ZINC000020305492 182205165 /nfs/dbraw/zinc/20/51/65/182205165.db2.gz XILSLACBKJRRRV-HNNXBMFYSA-N 1 0 304.459 3.463 10 0 DGAERO Cc1sc2nc(C[N@H+]3CC[C@H](C(C)C)C3)nc(N)c2c1C ZINC000135667895 432132794 /nfs/dbraw/zinc/13/27/94/432132794.db2.gz CCALUDIDVMYILL-LBPRGKRZSA-N 1 0 304.463 3.368 10 0 DGAERO Fc1cccc(Cl)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020561591 182232682 /nfs/dbraw/zinc/23/26/82/182232682.db2.gz VVXXXDYLSAFIDY-NSHDSACASA-N 1 0 307.752 3.409 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000021514246 182277488 /nfs/dbraw/zinc/27/74/88/182277488.db2.gz WZMGAQGOPMTJNC-INIZCTEOSA-N 1 0 300.789 3.301 10 0 DGAERO [NH3+]C[C@@H](c1ccc(F)c(Br)c1)N1CCCCCC1 ZINC000022176207 182312179 /nfs/dbraw/zinc/31/21/79/182312179.db2.gz JTINSDOKFVLAKN-AWEZNQCLSA-N 1 0 315.230 3.464 10 0 DGAERO CCc1cc(C)c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)o1 ZINC000135090503 284460646 /nfs/dbraw/zinc/46/06/46/284460646.db2.gz CIUGGRXBHDGHAW-MRXNPFEDSA-N 1 0 314.429 3.053 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171453979 432135386 /nfs/dbraw/zinc/13/53/86/432135386.db2.gz RKSDDWIQCYOMRA-GVDBMIGSSA-N 1 0 318.848 3.140 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sccc1SC ZINC000246475773 432135547 /nfs/dbraw/zinc/13/55/47/432135547.db2.gz BNQUXRNLCGGLEO-RYUDHWBXSA-N 1 0 310.488 3.169 10 0 DGAERO Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000496151783 246360097 /nfs/dbraw/zinc/36/00/97/246360097.db2.gz NWYMGRDLNFEKQS-GJZGRUSLSA-N 1 0 322.449 3.366 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137081607 284513636 /nfs/dbraw/zinc/51/36/36/284513636.db2.gz FCOCRLHNSGZTSQ-QWHCGFSZSA-N 1 0 318.642 3.496 10 0 DGAERO CC[C@H](Oc1ccccc1C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246495911 432137942 /nfs/dbraw/zinc/13/79/42/432137942.db2.gz RONCXVVEEQSDPT-BBWFWOEESA-N 1 0 318.461 3.094 10 0 DGAERO CN(C)[C@@H](C[NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccco1 ZINC000135812044 432137949 /nfs/dbraw/zinc/13/79/49/432137949.db2.gz VXSNTSVCVJDNGU-KRWDZBQOSA-N 1 0 310.401 3.062 10 0 DGAERO CCOc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1F ZINC000246506172 432138845 /nfs/dbraw/zinc/13/88/45/432138845.db2.gz SKPKXCBMHPKTAB-IUODEOHRSA-N 1 0 323.412 3.075 10 0 DGAERO C[C@@H]1C[N@H+](CCc2ccncc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246518338 432140136 /nfs/dbraw/zinc/14/01/36/432140136.db2.gz BPUYZFYKFYJILJ-KDOFPFPSSA-N 1 0 300.377 3.225 10 0 DGAERO Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000181658925 432141948 /nfs/dbraw/zinc/14/19/48/432141948.db2.gz HMCBVIDLXUIMDS-GDBMZVCRSA-N 1 0 315.461 3.081 10 0 DGAERO [NH3+]CCCN(Cc1ccccc1)c1ccc(Br)cn1 ZINC000036382086 182820856 /nfs/dbraw/zinc/82/08/56/182820856.db2.gz BZLBQHIXQZIFJP-UHFFFAOYSA-N 1 0 320.234 3.200 10 0 DGAERO CC1(C)CN([C@H](C[NH3+])c2cc(Cl)cc(Cl)c2)CCO1 ZINC000037424993 182891955 /nfs/dbraw/zinc/89/19/55/182891955.db2.gz VJJLDICRTZDVGM-CYBMUJFWSA-N 1 0 303.233 3.104 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H](C)CC[C@H]2C)C1 ZINC000246556111 432144221 /nfs/dbraw/zinc/14/42/21/432144221.db2.gz XQVSRISVNFTFBW-GVDBMIGSSA-N 1 0 309.498 3.184 10 0 DGAERO CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000246578965 432146235 /nfs/dbraw/zinc/14/62/35/432146235.db2.gz TVIUBXKHMVCGEM-WMZOPIPTSA-N 1 0 317.477 3.479 10 0 DGAERO Fc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000136136542 432146312 /nfs/dbraw/zinc/14/63/12/432146312.db2.gz DGXLMEVHGDDCAD-AWEZNQCLSA-N 1 0 300.381 3.132 10 0 DGAERO CC(C)(C)OC(=O)CCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000181850482 432146792 /nfs/dbraw/zinc/14/67/92/432146792.db2.gz CBKAWARUCLRICL-UHFFFAOYSA-N 1 0 321.465 3.107 10 0 DGAERO C[C@H](c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246606890 432148726 /nfs/dbraw/zinc/14/87/26/432148726.db2.gz RDNJCXICYWYIFH-DOMZBBRYSA-N 1 0 309.251 3.290 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1nc(Cl)ccc1Cl ZINC000038103313 182989670 /nfs/dbraw/zinc/98/96/70/182989670.db2.gz NTNWJTMCTKUIPJ-SNVBAGLBSA-N 1 0 318.248 3.095 10 0 DGAERO Cc1nccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)n1 ZINC000040227652 183047626 /nfs/dbraw/zinc/04/76/26/183047626.db2.gz SCNYSVJYLMYNLT-OAHLLOKOSA-N 1 0 318.218 3.325 10 0 DGAERO C[C@@H](C[NH2+][C@H]1CCN(c2ncccc2F)C1)Cc1ccccc1 ZINC000152781175 284641216 /nfs/dbraw/zinc/64/12/16/284641216.db2.gz YHQIYIIKDFJHJH-WBVHZDCISA-N 1 0 313.420 3.268 10 0 DGAERO C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246611755 432149178 /nfs/dbraw/zinc/14/91/78/432149178.db2.gz YECSJYOXPOOJIH-CKEIUWERSA-N 1 0 308.853 3.054 10 0 DGAERO C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040410100 183062800 /nfs/dbraw/zinc/06/28/00/183062800.db2.gz IYEAMRBLROVUFG-UHFFFAOYSA-N 1 0 309.291 3.416 10 0 DGAERO Cc1cc(C)cc(Oc2nc[nH+]c(NNC(C)(C)C)c2N)c1 ZINC000040681560 183117316 /nfs/dbraw/zinc/11/73/16/183117316.db2.gz JHKZBIUKCUZEAW-UHFFFAOYSA-N 1 0 301.394 3.183 10 0 DGAERO C[C@@]1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCCO1 ZINC000152935748 284648890 /nfs/dbraw/zinc/64/88/90/284648890.db2.gz NQSFRMKPQVSVMP-AWEZNQCLSA-N 1 0 303.324 3.286 10 0 DGAERO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000040596543 183107366 /nfs/dbraw/zinc/10/73/66/183107366.db2.gz QJFPGQXTNRIDIE-JTQLQIEISA-N 1 0 316.232 3.457 10 0 DGAERO CC(C)(C)NNc1[nH+]cnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040796593 183135019 /nfs/dbraw/zinc/13/50/19/183135019.db2.gz IFLDXPIXDYZPFG-UHFFFAOYSA-N 1 0 324.791 3.310 10 0 DGAERO C[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000040852210 183141844 /nfs/dbraw/zinc/14/18/44/183141844.db2.gz LVZVBVPRXGINJC-BLLLJJGKSA-N 1 0 302.805 3.087 10 0 DGAERO C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000040852216 183142104 /nfs/dbraw/zinc/14/21/04/183142104.db2.gz LVZVBVPRXGINJC-LRDDRELGSA-N 1 0 302.805 3.087 10 0 DGAERO CC[NH+](CC)CCCCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000041509003 183194962 /nfs/dbraw/zinc/19/49/62/183194962.db2.gz ZAPPDAPFMNSTIU-UHFFFAOYSA-N 1 0 306.425 3.096 10 0 DGAERO CC[N@H+](CCOc1cccc(Br)c1)[C@H](C)COC ZINC000042252286 183247322 /nfs/dbraw/zinc/24/73/22/183247322.db2.gz NZQPBZBPNZTJIG-GFCCVEGCSA-N 1 0 316.239 3.185 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COCc1cccs1 ZINC000042256857 183247635 /nfs/dbraw/zinc/24/76/35/183247635.db2.gz UJIMPRICNNMMHX-LSDHHAIUSA-N 1 0 305.443 3.285 10 0 DGAERO CCOCCOc1c(Br)cccc1C[C@H]([NH3+])CC ZINC000042412835 183266656 /nfs/dbraw/zinc/26/66/56/183266656.db2.gz JZZYESQCLIEWKJ-GFCCVEGCSA-N 1 0 316.239 3.144 10 0 DGAERO CC[N@@H+](Cc1cc(Cl)ccc1OC)C[C@@H](C)C(N)=S ZINC000042444162 183271090 /nfs/dbraw/zinc/27/10/90/183271090.db2.gz LFKJGGCMAFEBMP-SNVBAGLBSA-N 1 0 300.855 3.093 10 0 DGAERO C[C@H]([NH2+]C1CCS(=O)CC1)c1cccc(Br)c1 ZINC000042336426 183256221 /nfs/dbraw/zinc/25/62/21/183256221.db2.gz IJCJBOIEDIHMHO-ITNLDZRZSA-N 1 0 316.264 3.011 10 0 DGAERO CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1C ZINC000042355643 183257320 /nfs/dbraw/zinc/25/73/20/183257320.db2.gz GCTNOZDSHYYHPX-UHFFFAOYSA-N 1 0 308.223 3.443 10 0 DGAERO CC(C)OCCO[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042957396 183322916 /nfs/dbraw/zinc/32/29/16/183322916.db2.gz AAXMZOTZECUTLY-FZMZJTMJSA-N 1 0 316.239 3.279 10 0 DGAERO Cc1cc(C)n([C@@H](c2ccc(Br)cc2)[C@@H](C)[NH3+])n1 ZINC000042955876 183323032 /nfs/dbraw/zinc/32/30/32/183323032.db2.gz AJMUYDCHTRNBPZ-BXUZGUMPSA-N 1 0 308.223 3.199 10 0 DGAERO C[C@H]([NH3+])[C@H](OC1CCOCC1)c1ccc(Br)cc1 ZINC000042958461 183323762 /nfs/dbraw/zinc/32/37/62/183323762.db2.gz UMLQDMKBQYCSKT-HZMBPMFUSA-N 1 0 314.223 3.033 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000043004207 183326879 /nfs/dbraw/zinc/32/68/79/183326879.db2.gz YIYZYIVMGAFMJZ-NSHDSACASA-N 1 0 317.886 3.494 10 0 DGAERO C[C@H]([NH3+])[C@H](OC1CCOCC1)c1cccc(Br)c1 ZINC000043024011 183331481 /nfs/dbraw/zinc/33/14/81/183331481.db2.gz GRHZBROFRNHCGN-HZMBPMFUSA-N 1 0 314.223 3.033 10 0 DGAERO CC(C)c1nccn1[C@@H](C[NH3+])c1ccccc1Br ZINC000043093762 183336612 /nfs/dbraw/zinc/33/66/12/183336612.db2.gz LAJBXRWCBPIJIA-ZDUSSCGKSA-N 1 0 308.223 3.317 10 0 DGAERO CCc1nccn1[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043093911 183336838 /nfs/dbraw/zinc/33/68/38/183336838.db2.gz KOWYTJLDCSUDNZ-IINYFYTJSA-N 1 0 308.223 3.145 10 0 DGAERO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCCCC1 ZINC000043284494 183350186 /nfs/dbraw/zinc/35/01/86/183350186.db2.gz CONTWDQFPCDJSD-SKDRFNHKSA-N 1 0 303.269 3.385 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)n1cc(C)cn1 ZINC000043093796 183336574 /nfs/dbraw/zinc/33/65/74/183336574.db2.gz SHTNCKLEKQTTPY-ZIAGYGMSSA-N 1 0 308.223 3.281 10 0 DGAERO CC[N@@H+](Cc1sccc1Br)C[C@@H](C)C(N)=S ZINC000043675546 183379587 /nfs/dbraw/zinc/37/95/87/183379587.db2.gz LFMCCNRDIYQQRK-MRVPVSSYSA-N 1 0 321.309 3.255 10 0 DGAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1sccc1Br ZINC000043680159 183379909 /nfs/dbraw/zinc/37/99/09/183379909.db2.gz AVZWCLIEEWJHJE-LLVKDONJSA-N 1 0 305.285 3.186 10 0 DGAERO CCCOc1cccc(NC(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000044204386 183398529 /nfs/dbraw/zinc/39/85/29/183398529.db2.gz QEGHTACZSGAZOL-AWEZNQCLSA-N 1 0 307.438 3.327 10 0 DGAERO COc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000153820655 284693792 /nfs/dbraw/zinc/69/37/92/284693792.db2.gz RKQIMIYRTBSQFQ-OAHLLOKOSA-N 1 0 318.461 3.068 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)ccc1F ZINC000154145385 284714300 /nfs/dbraw/zinc/71/43/00/284714300.db2.gz VRBFIZYJOMMYBI-CJNGLKHVSA-N 1 0 303.377 3.261 10 0 DGAERO CC1CC[NH+](CCN(C)Cc2nc3c(s2)CCCC3)CC1 ZINC000154127734 284713605 /nfs/dbraw/zinc/71/36/05/284713605.db2.gz UXAPOHWNYTWHHJ-UHFFFAOYSA-N 1 0 307.507 3.186 10 0 DGAERO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1COc2ccccc21)c1ccccc1 ZINC000104873050 194048631 /nfs/dbraw/zinc/04/86/31/194048631.db2.gz NBLQOPHKQSJRSO-IEBWSBKVSA-N 1 0 324.424 3.319 10 0 DGAERO CCCNC(=O)C1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000179919319 284737285 /nfs/dbraw/zinc/73/72/85/284737285.db2.gz YZOGDEWFHGSMBY-UHFFFAOYSA-N 1 0 318.461 3.050 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000105003154 194063534 /nfs/dbraw/zinc/06/35/34/194063534.db2.gz CPOGERQNOGXXTG-MRXNPFEDSA-N 1 0 317.433 3.176 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)o1 ZINC000105087087 194071400 /nfs/dbraw/zinc/07/14/00/194071400.db2.gz QKBPDYOKUURADV-JKSUJKDBSA-N 1 0 319.449 3.309 10 0 DGAERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(c2cccs2)CC1 ZINC000183870807 284740851 /nfs/dbraw/zinc/74/08/51/284740851.db2.gz PUKNNWCPFSYZLQ-ZDUSSCGKSA-N 1 0 324.490 3.427 10 0 DGAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccs1 ZINC000105170783 194080876 /nfs/dbraw/zinc/08/08/76/194080876.db2.gz BACZREAEJGPKAF-ZIAGYGMSSA-N 1 0 307.463 3.079 10 0 DGAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(c2cccs2)CC1 ZINC000183870818 284740666 /nfs/dbraw/zinc/74/06/66/284740666.db2.gz PUKNNWCPFSYZLQ-CYBMUJFWSA-N 1 0 324.490 3.427 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)CC2 ZINC000105874350 194152697 /nfs/dbraw/zinc/15/26/97/194152697.db2.gz VPNASQNWFXSKNM-AAEUAGOBSA-N 1 0 320.387 3.345 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1F)CC2 ZINC000105874285 194153314 /nfs/dbraw/zinc/15/33/14/194153314.db2.gz PKBLDNLGKBDRKX-QWHCGFSZSA-N 1 0 302.397 3.206 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)CC2 ZINC000105873575 194153662 /nfs/dbraw/zinc/15/36/62/194153662.db2.gz WPMBMFAOJASNAO-RISCZKNCSA-N 1 0 304.825 3.160 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000105897936 194162078 /nfs/dbraw/zinc/16/20/78/194162078.db2.gz GDXMALAYTHHGQQ-QGZVFWFLSA-N 1 0 315.465 3.149 10 0 DGAERO Cc1cc(C)c(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c(C)c1 ZINC000106071638 194183699 /nfs/dbraw/zinc/18/36/99/194183699.db2.gz RFELLBDOOVJFTN-UHFFFAOYSA-N 1 0 324.472 3.423 10 0 DGAERO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171461 194188617 /nfs/dbraw/zinc/18/86/17/194188617.db2.gz WFKGBCNOXUTRGM-KGLIPLIRSA-N 1 0 304.825 3.405 10 0 DGAERO CC[C@@H](c1ccccc1)[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000106199912 194189575 /nfs/dbraw/zinc/18/95/75/194189575.db2.gz ZVQRAKSFZNUDSV-OALUTQOASA-N 1 0 313.445 3.352 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCO[C@H]1C ZINC000191628383 284782249 /nfs/dbraw/zinc/78/22/49/284782249.db2.gz XVESLRZERUNCPP-KWBADKCTSA-N 1 0 314.223 3.286 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2sccc2Br)n1 ZINC000221959323 284785884 /nfs/dbraw/zinc/78/58/84/284785884.db2.gz BXXFKGYKBSPACB-ZETCQYMHSA-N 1 0 316.224 3.095 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H](C)c1ccccc1F ZINC000079982256 284796588 /nfs/dbraw/zinc/79/65/88/284796588.db2.gz LTPLDKAMLJVWRX-ZIAGYGMSSA-N 1 0 309.429 3.258 10 0 DGAERO Cc1ccc(C)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000049073514 183710287 /nfs/dbraw/zinc/71/02/87/183710287.db2.gz NGMNUUXASACXFM-UHFFFAOYSA-N 1 0 300.446 3.251 10 0 DGAERO CC[NH2+]Cc1ccccc1-n1nc(C)c(Br)c1C ZINC000050593841 183790246 /nfs/dbraw/zinc/79/02/46/183790246.db2.gz HEZKJOGWXHXNPO-UHFFFAOYSA-N 1 0 308.223 3.361 10 0 DGAERO CC(C)[NH2+]Cc1cccc(Cn2cc(Br)cn2)c1 ZINC000052577422 183865318 /nfs/dbraw/zinc/86/53/18/183865318.db2.gz KQQKOJNZWXDSLV-UHFFFAOYSA-N 1 0 308.223 3.192 10 0 DGAERO CC1(C)[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H]2CCCO[C@H]21 ZINC000245824007 284846005 /nfs/dbraw/zinc/84/60/05/284846005.db2.gz AQKXCNYQNYNAFE-APHBMKBZSA-N 1 0 311.372 3.137 10 0 DGAERO c1cnc(N2CCC(Nc3cc[nH+]c4ccccc34)CC2)nc1 ZINC000110204026 194315922 /nfs/dbraw/zinc/31/59/22/194315922.db2.gz VUHVIUPRFRJVAR-UHFFFAOYSA-N 1 0 305.385 3.106 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000110449450 194331123 /nfs/dbraw/zinc/33/11/23/194331123.db2.gz YHBFCNHKALLLOQ-OALUTQOASA-N 1 0 308.425 3.282 10 0 DGAERO COCC[NH2+]CC(C)(C)Cc1sccc1Br ZINC000054638742 183947017 /nfs/dbraw/zinc/94/70/17/183947017.db2.gz PZQYFXLJMRUXRY-UHFFFAOYSA-N 1 0 306.269 3.315 10 0 DGAERO COc1ccc([C@@H](C[NH3+])Nc2ccccc2Cl)cc1OC ZINC000057637695 184043678 /nfs/dbraw/zinc/04/36/78/184043678.db2.gz MZHWSRRFQMFCKM-CQSZACIVSA-N 1 0 306.793 3.469 10 0 DGAERO CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1O ZINC000057394865 184036881 /nfs/dbraw/zinc/03/68/81/184036881.db2.gz BQSDBRIJSBMXRU-UHFFFAOYSA-N 1 0 302.212 3.442 10 0 DGAERO COc1ccc([C@H](C[NH3+])Nc2ccc(Cl)cc2)cc1OC ZINC000057637715 184043384 /nfs/dbraw/zinc/04/33/84/184043384.db2.gz BUNFHWYTYSFBGH-AWEZNQCLSA-N 1 0 306.793 3.469 10 0 DGAERO C[C@@H]1C[C@@H]1[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000246465999 284899803 /nfs/dbraw/zinc/89/98/03/284899803.db2.gz QECYIVZHJSUILY-RLCCDNCMSA-N 1 0 321.852 3.170 10 0 DGAERO CC[C@@H]([NH2+]C)c1nnc(-c2ccc(F)cc2Br)o1 ZINC000061512070 184171762 /nfs/dbraw/zinc/17/17/62/184171762.db2.gz HVQOGTQSXJZSPS-SNVBAGLBSA-N 1 0 314.158 3.309 10 0 DGAERO CC(C)c1ccc(CCC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061604322 184177168 /nfs/dbraw/zinc/17/71/68/184177168.db2.gz AJANYYCIMRKUCF-UHFFFAOYSA-N 1 0 314.473 3.439 10 0 DGAERO CN(Cc1ccccc1Cl)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611936 184178530 /nfs/dbraw/zinc/17/85/30/184178530.db2.gz KBDDYKVYTDKHAW-HNNXBMFYSA-N 1 0 302.805 3.041 10 0 DGAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000158163885 197249207 /nfs/dbraw/zinc/24/92/07/197249207.db2.gz RYPAUFHDWKLPAQ-MRXNPFEDSA-N 1 0 323.400 3.229 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061795484 184187857 /nfs/dbraw/zinc/18/78/57/184187857.db2.gz ZSHNUVBNGNXVCJ-HNNXBMFYSA-N 1 0 315.461 3.190 10 0 DGAERO C[C@@H]1CN([C@@H](C[NH3+])c2c(Cl)cccc2Cl)CCCO1 ZINC000061916124 184195345 /nfs/dbraw/zinc/19/53/45/184195345.db2.gz GTXPTLKEHQHVBI-MFKMUULPSA-N 1 0 303.233 3.104 10 0 DGAERO C[NH2+]C[C@@]1(Cc2ccc(F)cc2Br)CCCOC1 ZINC000062193498 184218647 /nfs/dbraw/zinc/21/86/47/184218647.db2.gz ICCHPBUGVBFYDB-AWEZNQCLSA-N 1 0 316.214 3.147 10 0 DGAERO [NH3+][C@@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000062837820 184255577 /nfs/dbraw/zinc/25/55/77/184255577.db2.gz VYHOQHOSHASILL-AWEZNQCLSA-N 1 0 309.196 3.423 10 0 DGAERO C[NH2+]Cc1ccc(OC[C@H]2CCCCO2)c(Br)c1 ZINC000062700693 184247593 /nfs/dbraw/zinc/24/75/93/184247593.db2.gz TWNYTVGYZXRNSH-GFCCVEGCSA-N 1 0 314.223 3.116 10 0 DGAERO [NH3+]Cc1cccc(NC(=O)c2cc(F)cc(Br)c2)c1 ZINC000063190913 184277205 /nfs/dbraw/zinc/27/72/05/184277205.db2.gz DBJFAPCYJLRPPS-UHFFFAOYSA-N 1 0 323.165 3.299 10 0 DGAERO CCCn1cnnc1[C@@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000065287934 184322599 /nfs/dbraw/zinc/32/25/99/184322599.db2.gz JVHYODRWLRPAAQ-CQSZACIVSA-N 1 0 304.463 3.438 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000246919688 284930072 /nfs/dbraw/zinc/93/00/72/284930072.db2.gz GQTNRYOZXKIDBO-PMPSAXMXSA-N 1 0 302.466 3.250 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)C1CC[NH2+]CC1 ZINC000068591205 184492916 /nfs/dbraw/zinc/49/29/16/184492916.db2.gz JKZANDMDQIWQAA-KRWDZBQOSA-N 1 0 318.461 3.370 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)C[C@H]1C ZINC000247688339 284975016 /nfs/dbraw/zinc/97/50/16/284975016.db2.gz PWMASGPCPVIDQA-HPFXQQBRSA-N 1 0 313.482 3.131 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113885330 194616203 /nfs/dbraw/zinc/61/62/03/194616203.db2.gz NLKUZCGGJIIUFF-QGZVFWFLSA-N 1 0 320.481 3.366 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](CCSc3ccc(F)cc3)C2)cn1 ZINC000116407616 194744421 /nfs/dbraw/zinc/74/44/21/194744421.db2.gz KWLBDLSJHPESLR-CYBMUJFWSA-N 1 0 305.422 3.141 10 0 DGAERO CC(C)c1ccc([C@@H](C)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000248467976 285000370 /nfs/dbraw/zinc/00/03/70/285000370.db2.gz TYHZDYNFZOBHDF-VQIMIIECSA-N 1 0 313.445 3.469 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)n1 ZINC000089518671 252612050 /nfs/dbraw/zinc/61/20/50/252612050.db2.gz UCFCXAHEHBEJKB-SECBINFHSA-N 1 0 308.451 3.334 10 0 DGAERO Cc1cc(CN2CCC([NH+](C)C)CC2)cc(C)c1OC(F)F ZINC000091669882 252615317 /nfs/dbraw/zinc/61/53/17/252615317.db2.gz SFUKJDFUXJHRSH-UHFFFAOYSA-N 1 0 312.404 3.431 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@H]1C ZINC000248581697 285008053 /nfs/dbraw/zinc/00/80/53/285008053.db2.gz WBCDHBJRLFYSKI-RQJABVFESA-N 1 0 320.399 3.202 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152490511 252640550 /nfs/dbraw/zinc/64/05/50/252640550.db2.gz HVQJKKQLBSZFMC-DOTOQJQBSA-N 1 0 318.461 3.383 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000248628273 285011846 /nfs/dbraw/zinc/01/18/46/285011846.db2.gz QNKDFXMAAUWUAP-IEBWSBKVSA-N 1 0 305.462 3.260 10 0 DGAERO C[C@@H]1CC(CC[NH+]2CCC(NC(=O)C3CC3)CC2)C[C@@H](C)C1 ZINC000176975803 252711260 /nfs/dbraw/zinc/71/12/60/252711260.db2.gz XTMGQOTVVSDGFM-GJZGRUSLSA-N 1 0 306.494 3.439 10 0 DGAERO CCc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1F ZINC000178974725 252740982 /nfs/dbraw/zinc/74/09/82/252740982.db2.gz TZWRGMLDKISOQX-MRXNPFEDSA-N 1 0 319.424 3.480 10 0 DGAERO CCC1(CC)[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@@H](C)[C@H]1OC ZINC000248822804 285028129 /nfs/dbraw/zinc/02/81/29/285028129.db2.gz JFHVBSIOVLQHPO-DAXOMENPSA-N 1 0 320.481 3.012 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000119670357 195013504 /nfs/dbraw/zinc/01/35/04/195013504.db2.gz YNCYMZWUBVHVOE-CVEARBPZSA-N 1 0 318.486 3.247 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1cnccn1 ZINC000119673055 195014525 /nfs/dbraw/zinc/01/45/25/195014525.db2.gz DFWDSXCOTWQWOS-AEFFLSMTSA-N 1 0 310.445 3.182 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000249040519 285048693 /nfs/dbraw/zinc/04/86/93/285048693.db2.gz UQSBQVAWWCXRGE-CPUCHLNUSA-N 1 0 313.445 3.199 10 0 DGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000249110854 285056820 /nfs/dbraw/zinc/05/68/20/285056820.db2.gz MTJFABKGGSJHDA-BDXSIMOUSA-N 1 0 300.446 3.032 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCc1cccs1)c1cccc(Cl)c1 ZINC000120038418 195084891 /nfs/dbraw/zinc/08/48/91/195084891.db2.gz HSWTVAAGLCXJTE-NSHDSACASA-N 1 0 308.834 3.369 10 0 DGAERO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccccc1 ZINC000249140201 285059055 /nfs/dbraw/zinc/05/90/55/285059055.db2.gz WAEJIYFZJHREND-ZTFGCOKTSA-N 1 0 319.445 3.068 10 0 DGAERO COc1cc(CN2CC[C@@H](C)[C@H](OC)C2)cc(Cl)c1OC ZINC000249211192 285064016 /nfs/dbraw/zinc/06/40/16/285064016.db2.gz SMYXNTYFGQSCQV-IAQYHMDHSA-N 1 0 313.825 3.214 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000333791378 252971906 /nfs/dbraw/zinc/97/19/06/252971906.db2.gz MLVXPSXNLATRFO-MZGVZZPPSA-N 1 0 321.852 3.107 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CCn2cc(Br)cn2)CC(C)(C)C1 ZINC000336792078 253002306 /nfs/dbraw/zinc/00/23/06/253002306.db2.gz QJOMYQQVBRTTMY-WCQYABFASA-N 1 0 314.271 3.450 10 0 DGAERO Cc1cc(C(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c(C)n1C1CC1 ZINC000249574669 285080884 /nfs/dbraw/zinc/08/08/84/285080884.db2.gz PELIIMWDHVHOEU-YJYMSZOUSA-N 1 0 318.461 3.105 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000336908195 253020787 /nfs/dbraw/zinc/02/07/87/253020787.db2.gz ZSOKQVKKIZNIOM-LBPRGKRZSA-N 1 0 302.187 3.245 10 0 DGAERO c1cc2c(cccc2CC[NH2+]Cc2cccc3c2OCCO3)[nH]1 ZINC000337291743 253079948 /nfs/dbraw/zinc/07/99/48/253079948.db2.gz MSXHHVYNXNKDCP-UHFFFAOYSA-N 1 0 308.381 3.271 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)c2ccccc2F)C1 ZINC000249757820 285087421 /nfs/dbraw/zinc/08/74/21/285087421.db2.gz IRMJAAKWUCAFOZ-KGLIPLIRSA-N 1 0 307.413 3.012 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](C[C@@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384416 253102454 /nfs/dbraw/zinc/10/24/54/253102454.db2.gz KLZLDZXEMKSNFE-GJZGRUSLSA-N 1 0 305.491 3.152 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000249788642 285089349 /nfs/dbraw/zinc/08/93/49/285089349.db2.gz SWIFMSSXKFPKED-ZBFHGGJFSA-N 1 0 321.852 3.111 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2c2ccccc2)C1 ZINC000249763566 285087743 /nfs/dbraw/zinc/08/77/43/285087743.db2.gz NEXHPGKNBXLESD-SJORKVTESA-N 1 0 301.434 3.017 10 0 DGAERO c1ccc2c(c1)CCN2C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000337499648 253127961 /nfs/dbraw/zinc/12/79/61/253127961.db2.gz UTRYTUCVTOXBRQ-IBGZPJMESA-N 1 0 314.473 3.473 10 0 DGAERO CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](OC)C1)c1ccccc1 ZINC000251541968 285096532 /nfs/dbraw/zinc/09/65/32/285096532.db2.gz DRQUCYOZBMLYKC-SZMVWBNQSA-N 1 0 318.461 3.001 10 0 DGAERO Cc1nc2[nH]ccc2c(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000337835035 253181923 /nfs/dbraw/zinc/18/19/23/253181923.db2.gz BPXFLESFIUERTF-BBRMVZONSA-N 1 0 321.428 3.341 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@]1(CCO)CCOC1 ZINC000338197643 253241115 /nfs/dbraw/zinc/24/11/15/253241115.db2.gz PPFHYBFMEPHGGG-SHRNQRGKSA-N 1 0 309.837 3.122 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000252746114 285104893 /nfs/dbraw/zinc/10/48/93/285104893.db2.gz PVYFHFRZIFMQLN-LKTVYLICSA-N 1 0 310.235 3.073 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(SC)c2)[C@H](C)C1 ZINC000120193531 195115233 /nfs/dbraw/zinc/11/52/33/195115233.db2.gz CNXCCWQJJCGLHK-DOMZBBRYSA-N 1 0 324.465 3.350 10 0 DGAERO CC[C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000338238122 253248797 /nfs/dbraw/zinc/24/87/97/253248797.db2.gz YXCCWJWTTXLTAH-RDJZCZTQSA-N 1 0 303.450 3.139 10 0 DGAERO CCN(CCc1nccs1)CC(=O)Nc1cc(C)cc(C)c1 ZINC000159184404 197334198 /nfs/dbraw/zinc/33/41/98/197334198.db2.gz QWGNTTLDKOIAGW-UHFFFAOYSA-N 1 0 317.458 3.263 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1CSC1(C)C ZINC000338476245 253294232 /nfs/dbraw/zinc/29/42/32/253294232.db2.gz FCLVSLOLCCUIKC-GFCCVEGCSA-N 1 0 316.264 3.441 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)s1 ZINC000159037558 197320672 /nfs/dbraw/zinc/32/06/72/197320672.db2.gz WHCNWWBWLNCNBC-ZBFHGGJFSA-N 1 0 316.470 3.407 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)CCn2cccn2)cc1OC ZINC000158705205 197295531 /nfs/dbraw/zinc/29/55/31/197295531.db2.gz KNDCXWUSHZSABZ-KBPBESRZSA-N 1 0 303.406 3.030 10 0 DGAERO C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000255058396 285124275 /nfs/dbraw/zinc/12/42/75/285124275.db2.gz WJPXFASDRLTLGG-IUCKJTJTSA-N 1 0 306.425 3.322 10 0 DGAERO C[C@H](NC(=O)C/C=C\c1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000255058398 285124465 /nfs/dbraw/zinc/12/44/65/285124465.db2.gz WJPXFASDRLTLGG-LEJCZOIISA-N 1 0 306.425 3.322 10 0 DGAERO CC(C)C[C@H](CNC(=O)C/C=C\c1cccc(F)c1)[NH+](C)C ZINC000255068076 285126052 /nfs/dbraw/zinc/12/60/52/285126052.db2.gz SANCYDWNIYERRD-BQLWYNFJSA-N 1 0 306.425 3.322 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120240708 195125830 /nfs/dbraw/zinc/12/58/30/195125830.db2.gz YGRXXDLURMSTGG-HOCLYGCPSA-N 1 0 319.449 3.324 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C/C=C\c1cccc(F)c1 ZINC000255131753 285133082 /nfs/dbraw/zinc/13/30/82/285133082.db2.gz UBPBANYZGVYPQI-AFCDSYGPSA-N 1 0 304.409 3.172 10 0 DGAERO C[C@@H]1C[N@H+](C/C=C\c2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000255191630 285136985 /nfs/dbraw/zinc/13/69/85/285136985.db2.gz YRPIRTBEEXNABQ-CRBAWYFGSA-N 1 0 320.864 3.006 10 0 DGAERO c1ccc(-n2nc(C[NH2+][C@H]3CCCSC3)c3c2CCC3)cc1 ZINC000272893803 210283439 /nfs/dbraw/zinc/28/34/39/210283439.db2.gz TVNMDGBJPPRLAL-AWEZNQCLSA-N 1 0 313.470 3.346 10 0 DGAERO O=C(NC/C=C\c1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000255263011 285139872 /nfs/dbraw/zinc/13/98/72/285139872.db2.gz KQQOMPIDZFHWFA-IEODJVTJSA-N 1 0 312.457 3.471 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000175957516 533112951 /nfs/dbraw/zinc/11/29/51/533112951.db2.gz RLRLMLLQQVQZNT-JJRVBVJISA-N 1 0 319.449 3.340 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000255512298 285160401 /nfs/dbraw/zinc/16/04/01/285160401.db2.gz WULCXQGNXZMKJU-CXPLIUAFSA-N 1 0 323.440 3.093 10 0 DGAERO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)o1 ZINC000120307791 195140735 /nfs/dbraw/zinc/14/07/35/195140735.db2.gz FLXJOCJPILDFEK-XJKSGUPXSA-N 1 0 312.417 3.270 10 0 DGAERO Cc1cnc(CC[N@@H+](C)C[C@H](O)c2cccc(Cl)c2)s1 ZINC000157684607 197207984 /nfs/dbraw/zinc/20/79/84/197207984.db2.gz XPPAUTXHRKUZNA-AWEZNQCLSA-N 1 0 310.850 3.313 10 0 DGAERO O[C@@H]1C[C@@H](c2ccc(F)cc2)[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000343376750 254133638 /nfs/dbraw/zinc/13/36/38/254133638.db2.gz UXCWXUNWWLCDDB-AEFFLSMTSA-N 1 0 311.360 3.010 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(OC(C)(C)C)cc1 ZINC000157247046 197173795 /nfs/dbraw/zinc/17/37/95/197173795.db2.gz CLWVLVLESKOOPB-UKRRQHHQSA-N 1 0 314.433 3.121 10 0 DGAERO C[C@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CCOC1 ZINC000344366672 254262340 /nfs/dbraw/zinc/26/23/40/254262340.db2.gz JGBLTQAXQFSKIL-CYBMUJFWSA-N 1 0 302.187 3.104 10 0 DGAERO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(C(C)(F)F)cc1)CC2 ZINC000345142275 254333580 /nfs/dbraw/zinc/33/35/80/254333580.db2.gz BYJDAXRZUZCGBO-UHFFFAOYSA-N 1 0 322.399 3.499 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344717481 254299560 /nfs/dbraw/zinc/29/95/60/254299560.db2.gz AOGRLMPFAZFXOH-HZPDHXFCSA-N 1 0 322.493 3.105 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CC[C@H]2SC)cc1OC(F)F ZINC000344956682 254319265 /nfs/dbraw/zinc/31/92/65/254319265.db2.gz QVNJKYMFJBFZRM-GXFFZTMASA-N 1 0 303.374 3.280 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000344961586 254319375 /nfs/dbraw/zinc/31/93/75/254319375.db2.gz WBMSFMMGTQWGEY-TZMCWYRMSA-N 1 0 313.850 3.485 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@@H]2CC[C@@H]2SC)c1 ZINC000344964296 254319976 /nfs/dbraw/zinc/31/99/76/254319976.db2.gz ZRVANZKHHKUDCN-OLZOCXBDSA-N 1 0 316.264 3.441 10 0 DGAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccccc1Cc1ccccc1 ZINC000261820784 285193335 /nfs/dbraw/zinc/19/33/35/285193335.db2.gz NMGBKPQZZVHVCD-DOTOQJQBSA-N 1 0 308.425 3.087 10 0 DGAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccccc1Cc1ccccc1 ZINC000261820786 285193380 /nfs/dbraw/zinc/19/33/80/285193380.db2.gz NMGBKPQZZVHVCD-RDJZCZTQSA-N 1 0 308.425 3.087 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc(Cl)c2)[C@H](C)C1 ZINC000156314123 197103590 /nfs/dbraw/zinc/10/35/90/197103590.db2.gz GGCDWNBGNRLJBR-CZUORRHYSA-N 1 0 308.853 3.451 10 0 DGAERO CS[C@H](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000156145746 197089625 /nfs/dbraw/zinc/08/96/25/197089625.db2.gz KCYAWJXTSVOCBJ-CQSZACIVSA-N 1 0 306.475 3.040 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000120351041 195149904 /nfs/dbraw/zinc/14/99/04/195149904.db2.gz FALZYFBYVGOYLI-IUSZMWJPSA-N 1 0 310.507 3.051 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000155200407 197032371 /nfs/dbraw/zinc/03/23/71/197032371.db2.gz SWZGSQKAXXEXKY-GCVQQVDUSA-N 1 0 300.855 3.499 10 0 DGAERO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1COc2ccccc21 ZINC000120367048 195152738 /nfs/dbraw/zinc/15/27/38/195152738.db2.gz LMGUGNDVHWMMGL-KDOFPFPSSA-N 1 0 324.424 3.043 10 0 DGAERO Cc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1F ZINC000154145345 196942836 /nfs/dbraw/zinc/94/28/36/196942836.db2.gz VSKNNDPXCGOYDN-OAHLLOKOSA-N 1 0 304.409 3.225 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000120389310 195156450 /nfs/dbraw/zinc/15/64/50/195156450.db2.gz XAUGANAGLPKREL-ABAIWWIYSA-N 1 0 311.376 3.159 10 0 DGAERO CCc1ccc(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000120448475 195169054 /nfs/dbraw/zinc/16/90/54/195169054.db2.gz ZHXBVWJEMXXDHL-UHFFFAOYSA-N 1 0 314.473 3.126 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000120502541 195179032 /nfs/dbraw/zinc/17/90/32/195179032.db2.gz ADTHUCNSBGCFNN-STQMWFEESA-N 1 0 312.404 3.161 10 0 DGAERO COC(=O)[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccccc1C ZINC000120553643 195188398 /nfs/dbraw/zinc/18/83/98/195188398.db2.gz RBWBCDCANRMKNQ-GOSISDBHSA-N 1 0 310.397 3.267 10 0 DGAERO CC[C@H]1c2ccsc2CCN1CC(=O)Nc1ccncc1 ZINC000120655001 195209888 /nfs/dbraw/zinc/20/98/88/195209888.db2.gz SECFGRJRYNEXCG-AWEZNQCLSA-N 1 0 301.415 3.091 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)c1cccc(OC)c1F ZINC000120736373 195227528 /nfs/dbraw/zinc/22/75/28/195227528.db2.gz PBJSCFZHWVJVDX-UHFFFAOYSA-N 1 0 310.413 3.028 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](CC[C@@H]3CCOC3=O)C2)n1 ZINC000120724310 195223950 /nfs/dbraw/zinc/22/39/50/195223950.db2.gz DIGTVMDNBDMOJY-KGLIPLIRSA-N 1 0 322.474 3.399 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc12 ZINC000152384176 196816277 /nfs/dbraw/zinc/81/62/77/196816277.db2.gz SJWBXXBADKRFAH-UONOGXRCSA-N 1 0 312.413 3.120 10 0 DGAERO C[C@@H](NC(=O)Nc1ccc2cc[nH]c2c1)C(C)(C)C[NH+](C)C ZINC000194338760 533218821 /nfs/dbraw/zinc/21/88/21/533218821.db2.gz WGELUBGXUYQOGU-GFCCVEGCSA-N 1 0 302.422 3.266 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000151568314 196697091 /nfs/dbraw/zinc/69/70/91/196697091.db2.gz ZOVTZILBTJPALT-UHFFFAOYSA-N 1 0 324.415 3.277 10 0 DGAERO O[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000249083424 285323534 /nfs/dbraw/zinc/32/35/34/285323534.db2.gz MWUVXXVEEYRBLE-MZMPZRCHSA-N 1 0 301.430 3.140 10 0 DGAERO O=C(c1ccco1)N1C[C@@H]2CCC[N@H+](Cc3cccs3)[C@@H]2C1 ZINC000247941736 257114235 /nfs/dbraw/zinc/11/42/35/257114235.db2.gz PREYUXSRFVAGLC-DZGCQCFKSA-N 1 0 316.426 3.078 10 0 DGAERO Fc1ccc(C[N@@H+]2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)cc1 ZINC000247550892 257119565 /nfs/dbraw/zinc/11/95/65/257119565.db2.gz VZGXIEXIPIQLHI-FHWLQOOXSA-N 1 0 319.420 3.374 10 0 DGAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000328619130 257264069 /nfs/dbraw/zinc/26/40/69/257264069.db2.gz FNAPAJRUFSOPER-UKRRQHHQSA-N 1 0 322.415 3.054 10 0 DGAERO O[C@@]1(C(F)(F)F)CCC[N@H+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000312839756 285342446 /nfs/dbraw/zinc/34/24/46/285342446.db2.gz VLIDBBDDROGNTE-MNOVXSKESA-N 1 0 301.299 3.201 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000121068059 195290225 /nfs/dbraw/zinc/29/02/25/195290225.db2.gz VYGPVJLPXWELMW-QLFBSQMISA-N 1 0 323.506 3.186 10 0 DGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000121544631 195305037 /nfs/dbraw/zinc/30/50/37/195305037.db2.gz AOTTXWKDCIEBCG-ZIAGYGMSSA-N 1 0 318.442 3.054 10 0 DGAERO Cc1noc(C)c1C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000121810981 195352524 /nfs/dbraw/zinc/35/25/24/195352524.db2.gz BLWOJHWPBYVSJF-IBGZPJMESA-N 1 0 313.445 3.436 10 0 DGAERO C[C@@]1(C[NH2+]CC2CCOCC2)CCCN1Cc1ccccc1 ZINC000121810088 195353186 /nfs/dbraw/zinc/35/31/86/195353186.db2.gz LCOCWSZCLPZTKO-IBGZPJMESA-N 1 0 302.462 3.057 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(OCC2CC2)c(F)c1 ZINC000121967644 195382867 /nfs/dbraw/zinc/38/28/67/195382867.db2.gz SRMOTWBBVZSASF-OTYXRUKQSA-N 1 0 321.314 3.188 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(-c2cccnc2)cc1 ZINC000121965145 195383173 /nfs/dbraw/zinc/38/31/73/195383173.db2.gz IZUHUJBVAUICGR-NHYWBVRUSA-N 1 0 310.319 3.322 10 0 DGAERO CC[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1nccs1 ZINC000122376183 195441624 /nfs/dbraw/zinc/44/16/24/195441624.db2.gz UNGPOLHXBYRRTE-GFCCVEGCSA-N 1 0 324.494 3.203 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1nnc(-c2ccccc2)o1 ZINC000125290063 195732293 /nfs/dbraw/zinc/73/22/93/195732293.db2.gz NGPLZNSSFQAKHF-STQMWFEESA-N 1 0 301.390 3.202 10 0 DGAERO C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000163858823 132124087 /nfs/dbraw/zinc/12/40/87/132124087.db2.gz STFHTDUDLVOOSC-DTWKUNHWSA-N 1 0 301.217 3.026 10 0 DGAERO C[C@H](C(=O)Nc1ccccc1SC(F)(F)F)C1C[NH2+]C1 ZINC000163943633 132127147 /nfs/dbraw/zinc/12/71/47/132127147.db2.gz VAGPVIZQAKERDG-QMMMGPOBSA-N 1 0 304.337 3.093 10 0 DGAERO O=S1(=O)CC[C@@H](C[NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC000037982719 296488021 /nfs/dbraw/zinc/48/80/21/296488021.db2.gz ZLBOIIZPJTUZOW-UAGQMJEPSA-N 1 0 313.507 3.150 10 0 DGAERO [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000019796242 134638995 /nfs/dbraw/zinc/63/89/95/134638995.db2.gz IIOSPWLGOQTYKC-SFHVURJKSA-N 1 0 315.848 3.162 10 0 DGAERO C[NH2+][C@H]1CCN(c2cc(Br)ccc2F)C[C@@H]1C ZINC000049711310 134757547 /nfs/dbraw/zinc/75/75/47/134757547.db2.gz YNIHZWOMLXXGDH-CABZTGNLSA-N 1 0 301.203 3.022 10 0 DGAERO c1c2c(nn1C1CCCC1)[C@@H]([NH2+]C[C@@H]1CCCOC1)CCC2 ZINC000357031950 285614048 /nfs/dbraw/zinc/61/40/48/285614048.db2.gz WGWSBXSQMMVBKP-YOEHRIQHSA-N 1 0 303.450 3.392 10 0 DGAERO Cc1ccc(C(C)(C)CC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261898922 292080782 /nfs/dbraw/zinc/08/07/82/292080782.db2.gz WBDVRTGNGHCLTN-NVXWUHKLSA-N 1 0 302.462 3.249 10 0 DGAERO Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000180159879 292092368 /nfs/dbraw/zinc/09/23/68/292092368.db2.gz IHWXWIALKYLMBZ-AZUAARDMSA-N 1 0 308.425 3.099 10 0 DGAERO O=C(Nc1cnn(C(F)F)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000357538682 285778885 /nfs/dbraw/zinc/77/88/85/285778885.db2.gz KMDZIGZWBARKPV-UHFFFAOYSA-N 1 0 320.343 3.126 10 0 DGAERO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCCCCO)CC1 ZINC000608561114 400085696 /nfs/dbraw/zinc/08/56/96/400085696.db2.gz SLMMNGLPVSKWAO-MRXNPFEDSA-N 1 0 302.462 3.065 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](CCc2ccccc2)C1 ZINC000006780154 400094679 /nfs/dbraw/zinc/09/46/79/400094679.db2.gz AKEREQCNFPTSPM-JKSUJKDBSA-N 1 0 304.434 3.204 10 0 DGAERO Cc1ccc(C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])cc1 ZINC000006780148 400094783 /nfs/dbraw/zinc/09/47/83/400094783.db2.gz LTGKJEHTGOMFEX-JKSUJKDBSA-N 1 0 304.434 3.122 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(F)cc1Br ZINC000090940251 400083960 /nfs/dbraw/zinc/08/39/60/400083960.db2.gz SLQYTUQZULQZIZ-RVBZMBCESA-N 1 0 302.187 3.416 10 0 DGAERO CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCC[NH2+]1 ZINC000616576021 400177077 /nfs/dbraw/zinc/17/70/77/400177077.db2.gz OLJBMTWVMQNTNY-HXUWFJFHSA-N 1 0 308.425 3.154 10 0 DGAERO [NH3+]CCN1C[C@H](c2nccc3ccccc32)Nc2ccccc21 ZINC000616584212 400178283 /nfs/dbraw/zinc/17/82/83/400178283.db2.gz ITMRNWQVPOPYFU-QGZVFWFLSA-N 1 0 304.397 3.167 10 0 DGAERO CCOC(=O)c1ccccc1[C@H]1CCOCC[N@@H+]1C(C)(C)C ZINC000616599731 400181922 /nfs/dbraw/zinc/18/19/22/400181922.db2.gz VLDXAIVSUOWFJZ-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cccc2cnccc21 ZINC000616603776 400182930 /nfs/dbraw/zinc/18/29/30/400182930.db2.gz GPBHMSQJIZLKPW-INIZCTEOSA-N 1 0 313.401 3.116 10 0 DGAERO CC(C)(C)OC(=O)Nc1cccc([C@H]2CCCN2CC[NH3+])c1 ZINC000616606534 400183540 /nfs/dbraw/zinc/18/35/40/400183540.db2.gz CLQNLDNASJRMRJ-OAHLLOKOSA-N 1 0 305.422 3.129 10 0 DGAERO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328635969 400183792 /nfs/dbraw/zinc/18/37/92/400183792.db2.gz NVGXMKPZFCKPHA-AYBZRNKSSA-N 1 0 313.445 3.278 10 0 DGAERO CNc1ccc([C@@H]2CC[N@H+](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC000616611091 400185333 /nfs/dbraw/zinc/18/53/33/400185333.db2.gz AMBNKTWFAIFYAW-OAHLLOKOSA-N 1 0 319.449 3.042 10 0 DGAERO CCC1(CC)C[NH2+][C@H]1c1ncc(I)s1 ZINC000306205796 400124272 /nfs/dbraw/zinc/12/42/72/400124272.db2.gz OZVHNFUTDRDDJY-QMMMGPOBSA-N 1 0 322.215 3.198 10 0 DGAERO O[C@@H](C[NH2+]CCCCF)COc1c(Cl)cccc1Cl ZINC000311741549 400134833 /nfs/dbraw/zinc/13/48/33/400134833.db2.gz SRUQOSXDGWKJHF-JTQLQIEISA-N 1 0 310.196 3.072 10 0 DGAERO CC1(C)CC(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)CC(C)(C)[NH2+]1 ZINC000067613210 400187127 /nfs/dbraw/zinc/18/71/27/400187127.db2.gz AMYHFDUMOFNFBD-CVEARBPZSA-N 1 0 315.461 3.151 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2ccccn2)CC1 ZINC000616628338 400187745 /nfs/dbraw/zinc/18/77/45/400187745.db2.gz QBAXERVWELLBDI-OAHLLOKOSA-N 1 0 319.449 3.176 10 0 DGAERO O=c1ccccn1CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000586829096 400166229 /nfs/dbraw/zinc/16/62/29/400166229.db2.gz ORUKYRZPNVARAF-UHFFFAOYSA-N 1 0 321.424 3.209 10 0 DGAERO c1ccc(CN2CCO[C@H](c3ccc4nnccc4c3)C2)cc1 ZINC000616642547 400191647 /nfs/dbraw/zinc/19/16/47/400191647.db2.gz ABZPRKZKRPCATI-IBGZPJMESA-N 1 0 305.381 3.203 10 0 DGAERO C[N@@H+]1CCCO[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616650460 400192679 /nfs/dbraw/zinc/19/26/79/400192679.db2.gz ATTGMDZLHGRRBL-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1C[N@H+](C)CCCO1 ZINC000616653085 400193784 /nfs/dbraw/zinc/19/37/84/400193784.db2.gz UFLXDMFDTVCNGB-MRXNPFEDSA-N 1 0 320.433 3.451 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCOCC[N@@H+]2C)c1 ZINC000616656315 400193973 /nfs/dbraw/zinc/19/39/73/400193973.db2.gz SBGYEYYFFRPLQQ-MRXNPFEDSA-N 1 0 320.433 3.451 10 0 DGAERO C[N@@H+]1CCOCC[C@@H]1c1ccccc1NC(=O)OC(C)(C)C ZINC000616655511 400194028 /nfs/dbraw/zinc/19/40/28/400194028.db2.gz FLBPOLMEVHVXHX-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccc3ncccc3c2)Cc2ccccc21 ZINC000616671365 400197878 /nfs/dbraw/zinc/19/78/78/400197878.db2.gz JLFFGDUSUDCPON-SFHVURJKSA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1ccc2ccnnc2c1 ZINC000616669142 400197920 /nfs/dbraw/zinc/19/79/20/400197920.db2.gz PPGIGXJQJOPKCO-LJQANCHMSA-N 1 0 304.397 3.082 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1cccc2ccnnc21 ZINC000616669198 400198056 /nfs/dbraw/zinc/19/80/56/400198056.db2.gz QHYKWBWUESBAPA-GOSISDBHSA-N 1 0 304.397 3.082 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccc3ccncc3c2)Cc2ccccc21 ZINC000616672709 400199186 /nfs/dbraw/zinc/19/91/86/400199186.db2.gz LWBPPHHGSJZGDR-LJQANCHMSA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccc2ncccc2c1 ZINC000616683528 400202808 /nfs/dbraw/zinc/20/28/08/400202808.db2.gz HNOYGKMSZMBVEE-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CC[N@H+](C)CCO2)c1 ZINC000616687386 400203986 /nfs/dbraw/zinc/20/39/86/400203986.db2.gz XAFJVLZTSPNCFU-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cccc3cnccc32)Nc2ccccc21 ZINC000616692014 400207055 /nfs/dbraw/zinc/20/70/55/400207055.db2.gz IKNGQTYCJOFBRV-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO CCN(Cc1ccc2c(c1)OCCO2)[C@@H](C)C(=O)OC(C)(C)C ZINC000610013007 400207315 /nfs/dbraw/zinc/20/73/15/400207315.db2.gz NPSQOZFCBHIOON-ZDUSSCGKSA-N 1 0 321.417 3.010 10 0 DGAERO CCCCC[NH2+]CCCCCCN(CCCCC)N(O)N=O ZINC000377601362 400255106 /nfs/dbraw/zinc/25/51/06/400255106.db2.gz HJFXVBUTMINVOZ-UHFFFAOYSA-N 1 0 317.498 3.407 10 0 DGAERO CC(=O)c1cccc(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000589158786 400265821 /nfs/dbraw/zinc/26/58/21/400265821.db2.gz SXTYLJZMKGDLKG-UHFFFAOYSA-N 1 0 321.340 3.114 10 0 DGAERO COCCC1(C[NH2+]Cc2ccsc2Br)CC1 ZINC000388898621 400267678 /nfs/dbraw/zinc/26/76/78/400267678.db2.gz SUGMZAJWEADKDI-UHFFFAOYSA-N 1 0 304.253 3.417 10 0 DGAERO FC(F)OCCC[NH2+]Cc1ccsc1Br ZINC000398168849 400286974 /nfs/dbraw/zinc/28/69/74/400286974.db2.gz NDQXXBCTGJBMIK-UHFFFAOYSA-N 1 0 300.168 3.230 10 0 DGAERO COc1ccc(C[NH2+]Cc2ccns2)cc1OC(F)F ZINC000404400877 400295858 /nfs/dbraw/zinc/29/58/58/400295858.db2.gz RDPXAQBILBBYSA-UHFFFAOYSA-N 1 0 300.330 3.043 10 0 DGAERO C[C@H](Sc1ccccc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357871368 285903953 /nfs/dbraw/zinc/90/39/53/285903953.db2.gz ZSEIGXUSXZPYCK-FHERZECASA-N 1 0 318.486 3.300 10 0 DGAERO C[C@@H](Sc1ccccc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357871371 285904036 /nfs/dbraw/zinc/90/40/36/285904036.db2.gz ZSEIGXUSXZPYCK-QQFBHYJXSA-N 1 0 318.486 3.300 10 0 DGAERO CC(C)(C)OC(=O)N([C@H](C(=[NH2+])NO)c1ccccc1)C1CC1 ZINC000409442369 400301101 /nfs/dbraw/zinc/30/11/01/400301101.db2.gz VBHWKSRNMDTOEE-ZDUSSCGKSA-N 1 0 305.378 3.083 10 0 DGAERO Cc1ccc(C)c(CC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000102718818 400303171 /nfs/dbraw/zinc/30/31/71/400303171.db2.gz OWSJJENBYUVQOA-LJQANCHMSA-N 1 0 310.441 3.265 10 0 DGAERO Cc1ccc([C@H]([NH2+]C[C@H]2CN(C)CCO2)c2ccccc2)cc1 ZINC000106388099 400326091 /nfs/dbraw/zinc/32/60/91/400326091.db2.gz QXKUEQWFHUEKKS-VQTJNVASSA-N 1 0 310.441 3.005 10 0 DGAERO C[S@@](=O)c1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000611336548 400379755 /nfs/dbraw/zinc/37/97/55/400379755.db2.gz QDMYZKTVBGPWAD-IIBYNOLFSA-N 1 0 319.857 3.334 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000611406791 400394619 /nfs/dbraw/zinc/39/46/19/400394619.db2.gz XKRHVVFLVMAQGF-OAHLLOKOSA-N 1 0 307.434 3.332 10 0 DGAERO N#Cc1cccc(CO[C@H]2C[NH2+]C[C@@H](Cc3ccccc3)C2)c1 ZINC000034269296 400384990 /nfs/dbraw/zinc/38/49/90/400384990.db2.gz ZSPZMNSDGUCQOM-VQTJNVASSA-N 1 0 306.409 3.296 10 0 DGAERO CCc1nc(OC)c2n1CC[NH2+][C@H]2CCc1ccc(C)c(C)c1 ZINC000114154196 400385804 /nfs/dbraw/zinc/38/58/04/400385804.db2.gz QDLBAINMYBMHBE-INIZCTEOSA-N 1 0 313.445 3.348 10 0 DGAERO CCCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000114474722 400387475 /nfs/dbraw/zinc/38/74/75/400387475.db2.gz ABQAXUFJCZGNLH-OAHLLOKOSA-N 1 0 320.477 3.254 10 0 DGAERO C[NH+](C)Cc1ccc2c(c1)OC1(C2)CC[NH+](C2CCC2)CC1 ZINC000114730564 400389226 /nfs/dbraw/zinc/38/92/26/400389226.db2.gz BPJUUCHTBWIZRC-UHFFFAOYSA-N 1 0 300.446 3.070 10 0 DGAERO Nc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000114957902 400391719 /nfs/dbraw/zinc/39/17/19/400391719.db2.gz PNIDFRGYSJHRLV-HNNXBMFYSA-N 1 0 311.212 3.399 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)C1CCC([NH3+])CC1 ZINC000037798555 400395043 /nfs/dbraw/zinc/39/50/43/400395043.db2.gz YKOMSNYHGWFXRU-UHFFFAOYSA-N 1 0 315.244 3.469 10 0 DGAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)C(C)(C)C)o1 ZINC000112463741 400373552 /nfs/dbraw/zinc/37/35/52/400373552.db2.gz DRDUXWOPBAVLOL-CQSZACIVSA-N 1 0 309.454 3.096 10 0 DGAERO [NH3+]CCn1cc(-c2ccnc3ccccc32)c(-c2ccccn2)n1 ZINC000038691192 400395889 /nfs/dbraw/zinc/39/58/89/400395889.db2.gz BUVRVVBYIQDIDT-UHFFFAOYSA-N 1 0 315.380 3.119 10 0 DGAERO Fc1cc(F)cc([C@H]2C[NH2+]C[C@@H](COCc3ccncc3)C2)c1 ZINC000038410585 400396178 /nfs/dbraw/zinc/39/61/78/400396178.db2.gz SRLSFSNXOCKBFT-GOEBONIOSA-N 1 0 318.367 3.270 10 0 DGAERO Fc1cc(F)cc([C@@H]2C[NH2+]C[C@H](COCc3ccncc3)C2)c1 ZINC000038410582 400396481 /nfs/dbraw/zinc/39/64/81/400396481.db2.gz SRLSFSNXOCKBFT-ZBFHGGJFSA-N 1 0 318.367 3.270 10 0 DGAERO CC[C@@H](C)[C@@H](C(=O)N1CCN(C2CC2)CC1)c1ccccc1 ZINC000116737583 400412263 /nfs/dbraw/zinc/41/22/63/400412263.db2.gz SOVJBXBRKALOPG-CRAIPNDOSA-N 1 0 300.446 3.123 10 0 DGAERO O=C(Nc1cccc(O[C@H]2CC[NH2+]C2)c1)c1ccc(Cl)cc1 ZINC000117733137 400421019 /nfs/dbraw/zinc/42/10/19/400421019.db2.gz ATWDWUUVXJUDHX-INIZCTEOSA-N 1 0 316.788 3.333 10 0 DGAERO CCc1ccc(C(=O)Nc2ccc([C@@H]3CCC[NH2+]C3)cc2)cn1 ZINC000117721168 400421075 /nfs/dbraw/zinc/42/10/75/400421075.db2.gz UPDSOEYVBFEPSK-OAHLLOKOSA-N 1 0 309.413 3.363 10 0 DGAERO CC(C)CO[C@@H](C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590717396 400421686 /nfs/dbraw/zinc/42/16/86/400421686.db2.gz HAHUVPJFXRYNPX-ZWKOTPCHSA-N 1 0 324.509 3.162 10 0 DGAERO Cc1noc([C@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000590819091 400441783 /nfs/dbraw/zinc/44/17/83/400441783.db2.gz JBWRAKHTXPSJSJ-GOEBONIOSA-N 1 0 306.454 3.027 10 0 DGAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000073619610 400459936 /nfs/dbraw/zinc/45/99/36/400459936.db2.gz DOXHRFHTQSRSLX-LSDHHAIUSA-N 1 0 306.450 3.002 10 0 DGAERO COc1cc(C[NH2+]Cc2cccnc2C)ccc1OC(C)C ZINC000590880849 400453780 /nfs/dbraw/zinc/45/37/80/400453780.db2.gz UOPVAYADXIFDNX-UHFFFAOYSA-N 1 0 300.402 3.476 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)NC1CCCCC1)c1cccc(F)c1 ZINC000043467536 400467262 /nfs/dbraw/zinc/46/72/62/400467262.db2.gz HJCQDMJDGUXETO-MRXNPFEDSA-N 1 0 307.413 3.060 10 0 DGAERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000043588623 400472573 /nfs/dbraw/zinc/47/25/73/400472573.db2.gz VEOXRFIVGPVBIR-WDEREUQCSA-N 1 0 300.855 3.359 10 0 DGAERO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000043588784 400472718 /nfs/dbraw/zinc/47/27/18/400472718.db2.gz QOMUESVQQKYDDL-RWMBFGLXSA-N 1 0 306.372 3.004 10 0 DGAERO Cc1nc2cc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)ccc2o1 ZINC000074189829 400495705 /nfs/dbraw/zinc/49/57/05/400495705.db2.gz BRWIOSFRCNJTIH-GFCCVEGCSA-N 1 0 301.390 3.339 10 0 DGAERO CCOC(=O)CCCC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000132734610 400562444 /nfs/dbraw/zinc/56/24/44/400562444.db2.gz DERUDNGJRQDVFJ-UHFFFAOYSA-N 1 0 307.434 3.477 10 0 DGAERO O[C@H]([C@@H]1CCCC[NH2+]1)[C@H]1CCNc2c1cccc2C(F)(F)F ZINC000141419787 400625557 /nfs/dbraw/zinc/62/55/57/400625557.db2.gz PFSVXXXAEPJUHV-WHOFXGATSA-N 1 0 314.351 3.108 10 0 DGAERO COc1cc2ncnc(Cl)c2cc1OCCC[NH+]1CCCC1 ZINC000142281053 400630066 /nfs/dbraw/zinc/63/00/66/400630066.db2.gz BXPJFGSJHYDEQD-UHFFFAOYSA-N 1 0 321.808 3.157 10 0 DGAERO COc1cccc(Sc2ccccc2C2(O)CC[NH2+]CC2)c1 ZINC000147462879 400651799 /nfs/dbraw/zinc/65/17/99/400651799.db2.gz LCOZZJQDAWPLLT-UHFFFAOYSA-N 1 0 315.438 3.417 10 0 DGAERO C[C@@H]1CN(c2nc3ccc(C(F)(F)F)cc3s2)CC[NH2+]1 ZINC000145798387 400647458 /nfs/dbraw/zinc/64/74/58/400647458.db2.gz RBGNLCLIQMVPGS-MRVPVSSYSA-N 1 0 301.337 3.113 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cc(F)ccc2F)[C@H](C)C1 ZINC000076484352 400657831 /nfs/dbraw/zinc/65/78/31/400657831.db2.gz SWXGNHACKIDWSZ-CXAGYDPISA-N 1 0 324.415 3.086 10 0 DGAERO c1c([C@@H]2CCC[NH2+]C2)nnn1CCCSCc1ccccc1 ZINC000603219234 400657927 /nfs/dbraw/zinc/65/79/27/400657927.db2.gz SJSXXODWFIYXOA-MRXNPFEDSA-N 1 0 316.474 3.069 10 0 DGAERO OCCCSCC[NH2+]CCc1cccc(Cl)c1Cl ZINC000150322476 400664541 /nfs/dbraw/zinc/66/45/41/400664541.db2.gz UOEDTJRNPCLVOE-UHFFFAOYSA-N 1 0 308.274 3.241 10 0 DGAERO CCC[C@@H](CC1CCCC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000603446089 400688531 /nfs/dbraw/zinc/68/85/31/400688531.db2.gz DHXXRSQUNCGWMJ-INIZCTEOSA-N 1 0 320.481 3.380 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000076996889 400685191 /nfs/dbraw/zinc/68/51/91/400685191.db2.gz YHXYEXAESDYQHX-MOPGFXCFSA-N 1 0 314.473 3.466 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@H](Nc3ncnc4ccccc43)C2)cc1 ZINC000052713054 400744840 /nfs/dbraw/zinc/74/48/40/400744840.db2.gz VJHRTMUUHCCRHK-INIZCTEOSA-N 1 0 304.397 3.316 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000154929953 400698516 /nfs/dbraw/zinc/69/85/16/400698516.db2.gz IAEVLBIPNMCWJG-DOTOQJQBSA-N 1 0 303.450 3.038 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000155143152 400700248 /nfs/dbraw/zinc/70/02/48/400700248.db2.gz SYRVFPPZVYXWGN-ACJLOTCBSA-N 1 0 310.397 3.220 10 0 DGAERO C[C@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1cccs1 ZINC000156732030 400712896 /nfs/dbraw/zinc/71/28/96/400712896.db2.gz ZMLODIQCRXNKPB-HOCLYGCPSA-N 1 0 316.470 3.141 10 0 DGAERO Cc1csc(=O)n1CC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000156863104 400712967 /nfs/dbraw/zinc/71/29/67/400712967.db2.gz XJADEQOFJYDVHH-CQSZACIVSA-N 1 0 304.459 3.090 10 0 DGAERO CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1nccs1 ZINC000157214416 400715791 /nfs/dbraw/zinc/71/57/91/400715791.db2.gz LGSYEYLHAREFBV-ZIAGYGMSSA-N 1 0 324.494 3.015 10 0 DGAERO [NH3+][C@@H](c1ncc(Br)cc1Br)C1CC1 ZINC000157298944 400716245 /nfs/dbraw/zinc/71/62/45/400716245.db2.gz ZWXIOCGHMNKJNP-MRVPVSSYSA-N 1 0 306.001 3.016 10 0 DGAERO CC[C@H](NC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1nccs1 ZINC000157214279 400716398 /nfs/dbraw/zinc/71/63/98/400716398.db2.gz LGSYEYLHAREFBV-KGLIPLIRSA-N 1 0 324.494 3.015 10 0 DGAERO CCCOc1ccc(Cl)cc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307599 400817788 /nfs/dbraw/zinc/81/77/88/400817788.db2.gz VTRFBLHDCBFDNV-LBPRGKRZSA-N 1 0 310.825 3.457 10 0 DGAERO CC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000169681587 400758905 /nfs/dbraw/zinc/75/89/05/400758905.db2.gz NSRNREZDFVWBEJ-NVXWUHKLSA-N 1 0 309.450 3.082 10 0 DGAERO CC[C@@H](C)[N@@H+](Cc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000169678772 400758955 /nfs/dbraw/zinc/75/89/55/400758955.db2.gz GVGDVOGMPPBMIL-NVXWUHKLSA-N 1 0 311.441 3.460 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000170814100 400775403 /nfs/dbraw/zinc/77/54/03/400775403.db2.gz ZWQRCXHDAOOIOP-MAUKXSAKSA-N 1 0 315.461 3.270 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000170826298 400776835 /nfs/dbraw/zinc/77/68/35/400776835.db2.gz FRGJFKAHJRQDFJ-CVEARBPZSA-N 1 0 321.852 3.137 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000170858819 400777322 /nfs/dbraw/zinc/77/73/22/400777322.db2.gz DMFJOEDVEVQDQB-CQSZACIVSA-N 1 0 306.475 3.183 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000171177586 400788489 /nfs/dbraw/zinc/78/84/89/400788489.db2.gz VEVWMBJBYZJMRB-OAHLLOKOSA-N 1 0 319.449 3.200 10 0 DGAERO CC(C)Oc1ccc(F)cc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000171267409 400791503 /nfs/dbraw/zinc/79/15/03/400791503.db2.gz HFAMOZJLENLNGY-UHFFFAOYSA-N 1 0 323.412 3.171 10 0 DGAERO C[C@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000079511556 400872223 /nfs/dbraw/zinc/87/22/23/400872223.db2.gz AMKVBCNSIAWULG-GFCCVEGCSA-N 1 0 306.715 3.439 10 0 DGAERO CC(C)CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000054953094 400846115 /nfs/dbraw/zinc/84/61/15/400846115.db2.gz LHFFQHQWANKZSC-UHFFFAOYSA-N 1 0 303.450 3.128 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1 ZINC000619432252 400847272 /nfs/dbraw/zinc/84/72/72/400847272.db2.gz YMYDTQCDAPIHGC-INIZCTEOSA-N 1 0 317.429 3.110 10 0 DGAERO Cc1ccc(SC2(CNC3=[NH+]CCCN3)CCCC2)cc1 ZINC000079382763 400861600 /nfs/dbraw/zinc/86/16/00/400861600.db2.gz VMSXVAWYEUHXCX-UHFFFAOYSA-N 1 0 303.475 3.339 10 0 DGAERO CC(C)[C@@H]1CN(c2nc3ccccc3nc2C(F)(F)F)CC[NH2+]1 ZINC000217831359 400951103 /nfs/dbraw/zinc/95/11/03/400951103.db2.gz YSRQRGFQCGGLQN-ZDUSSCGKSA-N 1 0 324.350 3.083 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000079788280 400896750 /nfs/dbraw/zinc/89/67/50/400896750.db2.gz OWSZHDRCMMHBTH-HOCLYGCPSA-N 1 0 303.450 3.087 10 0 DGAERO C[C@@H](CNC(=O)N[C@@H](C)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000079855621 400902062 /nfs/dbraw/zinc/90/20/62/400902062.db2.gz SZQDQYFDDXEOEO-KBPBESRZSA-N 1 0 323.868 3.432 10 0 DGAERO C[C@H](NC(=O)CC/C=C\c1ccccc1)C1CC[NH+](C)CC1 ZINC000606371588 400903526 /nfs/dbraw/zinc/90/35/26/400903526.db2.gz HEVPVQCHPTVZCD-DIEDAUMRSA-N 1 0 300.446 3.327 10 0 DGAERO CC(C)=CC[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190517765 400910714 /nfs/dbraw/zinc/91/07/14/400910714.db2.gz RCIUIRLIRAJUHJ-INIZCTEOSA-N 1 0 310.482 3.081 10 0 DGAERO CC[C@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)[C@H]1CCOC1 ZINC000358177321 285989839 /nfs/dbraw/zinc/98/98/39/285989839.db2.gz PCSHXRZXIHXAPW-KBMXLJTQSA-N 1 0 307.434 3.040 10 0 DGAERO O=C(CCc1ccco1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000198308888 400930225 /nfs/dbraw/zinc/93/02/25/400930225.db2.gz CXSIXKQWMZFFML-UHFFFAOYSA-N 1 0 312.413 3.124 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000246146414 401021090 /nfs/dbraw/zinc/02/10/90/401021090.db2.gz SDDPFPODMFIKFI-QLFBSQMISA-N 1 0 321.490 3.229 10 0 DGAERO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1nccs1 ZINC000247253802 401049068 /nfs/dbraw/zinc/04/90/68/401049068.db2.gz AMPSTJVSPLPTLO-RDBSUJKOSA-N 1 0 324.494 3.014 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1nnc(-c2ccccc2)o1 ZINC000607364503 401052784 /nfs/dbraw/zinc/05/27/84/401052784.db2.gz JRWKVIWHCBVALX-SPWCGHHHSA-N 1 0 313.401 3.201 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000625283063 401084500 /nfs/dbraw/zinc/08/45/00/401084500.db2.gz HSQWVNMDBZOOON-UHFFFAOYSA-N 1 0 322.193 3.366 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000248441544 401070800 /nfs/dbraw/zinc/07/08/00/401070800.db2.gz VCRWEIVXWORRFH-CGTJXYLNSA-N 1 0 321.509 3.329 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@H]3CCCC[C@H]3C)CC2)nn1 ZINC000248441443 401071144 /nfs/dbraw/zinc/07/11/44/401071144.db2.gz AAPGKFFFVWLEKA-NVXWUHKLSA-N 1 0 302.466 3.123 10 0 DGAERO CC1=CCN(CC[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000358218884 286000326 /nfs/dbraw/zinc/00/03/26/286000326.db2.gz CCTMRELEIYUWQH-KRWDZBQOSA-N 1 0 304.409 3.281 10 0 DGAERO c1coc(C[N@@H+](CCOC2CCOCC2)Cc2ccccc2)c1 ZINC000625068648 401023051 /nfs/dbraw/zinc/02/30/51/401023051.db2.gz PBBTZIKTWBLCMV-UHFFFAOYSA-N 1 0 315.413 3.477 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000246527333 401031214 /nfs/dbraw/zinc/03/12/14/401031214.db2.gz XQOYSTNLXRZQSR-SJLPKXTDSA-N 1 0 317.477 3.052 10 0 DGAERO [NH3+][C@@H]1CC=C(c2nc(-c3cc(Br)cs3)no2)C1 ZINC000629689023 401037454 /nfs/dbraw/zinc/03/74/54/401037454.db2.gz YIMCTUMKMWINOK-MRVPVSSYSA-N 1 0 312.192 3.065 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000247062815 401044397 /nfs/dbraw/zinc/04/43/97/401044397.db2.gz XVIUEMGKGISHIH-QZTJIDSGSA-N 1 0 319.445 3.284 10 0 DGAERO C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000249325629 401083440 /nfs/dbraw/zinc/08/34/40/401083440.db2.gz NLHSDORIYCRONF-QWHCGFSZSA-N 1 0 322.474 3.465 10 0 DGAERO O=C(C[N@@H+]1CCC2(C1)CCCCC2)NCCCc1ccccc1 ZINC000607752701 401118198 /nfs/dbraw/zinc/11/81/98/401118198.db2.gz MGSQLSJVDOBIMH-UHFFFAOYSA-N 1 0 314.473 3.392 10 0 DGAERO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H](C)c1nc2ccccc2s1 ZINC000358234554 286006214 /nfs/dbraw/zinc/00/62/14/286006214.db2.gz HBBCMDCGFILGJO-NWDGAFQWSA-N 1 0 300.431 3.312 10 0 DGAERO O=C(Cc1csc2ccccc12)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594642100 401141147 /nfs/dbraw/zinc/14/11/47/401141147.db2.gz KGEGYSGEGUZITK-HNNXBMFYSA-N 1 0 314.454 3.044 10 0 DGAERO C[C@@H](C(=O)NCCCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000607907704 401148386 /nfs/dbraw/zinc/14/83/86/401148386.db2.gz HIVHQGLEQCSNDN-GFCCVEGCSA-N 1 0 316.367 3.267 10 0 DGAERO c1cc(C[NH2+]CCOc2ccccc2)n(CCc2ccccc2)n1 ZINC000621325762 401166313 /nfs/dbraw/zinc/16/63/13/401166313.db2.gz JZRVBWMKHCIEKV-UHFFFAOYSA-N 1 0 321.424 3.294 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633944421 401155637 /nfs/dbraw/zinc/15/56/37/401155637.db2.gz GORHDEWFEUKZGU-MRXNPFEDSA-N 1 0 322.493 3.249 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)c1 ZINC000061798944 401165069 /nfs/dbraw/zinc/16/50/69/401165069.db2.gz UORBGIYWFXPSSN-DOTOQJQBSA-N 1 0 305.418 3.410 10 0 DGAERO CC1=CCN(CC[NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000358242476 286008945 /nfs/dbraw/zinc/00/89/45/286008945.db2.gz UCHJCCIVMQBSAE-OAHLLOKOSA-N 1 0 305.441 3.194 10 0 DGAERO C(c1nc(C2CCCC2)no1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000625634785 401166158 /nfs/dbraw/zinc/16/61/58/401166158.db2.gz USQMYRIJQOAAAB-MRXNPFEDSA-N 1 0 319.449 3.161 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+]CC[C@@H]2COc3ccccc3O2)cn1 ZINC000358270559 286017071 /nfs/dbraw/zinc/01/70/71/286017071.db2.gz WKNQVIFVSGNRGV-GOEBONIOSA-N 1 0 315.417 3.345 10 0 DGAERO Cc1ncccc1C[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000608068926 401180147 /nfs/dbraw/zinc/18/01/47/401180147.db2.gz MWPKUQRLXFLROW-SFHVURJKSA-N 1 0 306.413 3.197 10 0 DGAERO c1cc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)co1 ZINC000065287322 401263749 /nfs/dbraw/zinc/26/37/49/401263749.db2.gz FDSMCXGRGQQZTL-UHFFFAOYSA-N 1 0 308.385 3.444 10 0 DGAERO c1ccc2c(c1)OC[C@@H](C[N@@H+](C[C@H]1CCCO1)C1CCCC1)O2 ZINC000608498712 401263834 /nfs/dbraw/zinc/26/38/34/401263834.db2.gz HORQZGZUIRSDEM-IAGOWNOFSA-N 1 0 317.429 3.250 10 0 DGAERO Cc1ccc(-c2noc([C@H](N)C[N@@H+](C)Cc3ccccc3)n2)cc1 ZINC000634554237 401307168 /nfs/dbraw/zinc/30/71/68/401307168.db2.gz TXJCRVFUPLBPMN-QGZVFWFLSA-N 1 0 322.412 3.177 10 0 DGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000634750048 401343522 /nfs/dbraw/zinc/34/35/22/401343522.db2.gz LSXSSMMMNNZATO-GASCZTMLSA-N 1 0 313.228 3.065 10 0 DGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1c(Cl)cccc1Cl)C2 ZINC000634749050 401343822 /nfs/dbraw/zinc/34/38/22/401343822.db2.gz BZPHMARCIHEKSC-GASCZTMLSA-N 1 0 313.228 3.065 10 0 DGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc3sccc3s1)C2 ZINC000634747854 401344087 /nfs/dbraw/zinc/34/40/87/401344087.db2.gz CDDVSJWKVNIQCX-GASCZTMLSA-N 1 0 306.456 3.034 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CCc2ccsc2)c2ccccc21 ZINC000621750198 401294319 /nfs/dbraw/zinc/29/43/19/401294319.db2.gz KOXBTNVMCYSGMJ-MRXNPFEDSA-N 1 0 300.427 3.378 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CCc2ncccc2C)c2ccccc21 ZINC000621762931 401296887 /nfs/dbraw/zinc/29/68/87/401296887.db2.gz MYDJKYQDGLGWGN-SFHVURJKSA-N 1 0 309.413 3.020 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)c2ccccc21 ZINC000621765222 401297924 /nfs/dbraw/zinc/29/79/24/401297924.db2.gz UHHFZTXMQHYURF-HIFRSBDPSA-N 1 0 308.372 3.365 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@H](C)c2ccccn2)c2ccccc21 ZINC000621764658 401297936 /nfs/dbraw/zinc/29/79/36/401297936.db2.gz KKVRHAGBDROHGH-KSSFIOAISA-N 1 0 309.413 3.273 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)O2)c2ccccc21 ZINC000621764968 401298030 /nfs/dbraw/zinc/29/80/30/401298030.db2.gz PLDPLMPZFLIFGV-QRTARXTBSA-N 1 0 302.418 3.032 10 0 DGAERO c1cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)n(CC2CCC2)n1 ZINC000631168789 401414225 /nfs/dbraw/zinc/41/42/25/401414225.db2.gz KFVYOEMGMPQLSD-MSOLQXFVSA-N 1 0 303.450 3.121 10 0 DGAERO c1cc(C[NH2+]C2CCN(c3ccccc3)CC2)n(CC2CCC2)n1 ZINC000631050451 401378401 /nfs/dbraw/zinc/37/84/01/401378401.db2.gz ZUAKESODOKBINX-UHFFFAOYSA-N 1 0 324.472 3.442 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634952262 401387809 /nfs/dbraw/zinc/38/78/09/401387809.db2.gz ULFUJALKGRXDEV-RRFJBIMHSA-N 1 0 301.496 3.148 10 0 DGAERO c1ccc([C@@H]([NH2+]Cc2ccc3nccnc3c2)[C@H]2CCOC2)cc1 ZINC000634974701 401392738 /nfs/dbraw/zinc/39/27/38/401392738.db2.gz IOUUSIBZOCRVOA-FXAWDEMLSA-N 1 0 319.408 3.497 10 0 DGAERO CC1(C)CC([NH2+][C@H]2CCCS(=O)(=O)CC2)CC(C)(C)C1 ZINC000634974621 401393012 /nfs/dbraw/zinc/39/30/12/401393012.db2.gz GZQIKYJQTROSQP-ZDUSSCGKSA-N 1 0 301.496 3.148 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+]Cc2oc3ccccc3c2Cl)C1 ZINC000631124650 401402905 /nfs/dbraw/zinc/40/29/05/401402905.db2.gz OLCKLLSDHKXJDP-CYBMUJFWSA-N 1 0 320.820 3.434 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3csc(C)c3C)[C@H]2C1 ZINC000631142655 401406901 /nfs/dbraw/zinc/40/69/01/401406901.db2.gz NQJXOALCAZOIJG-XIRDDKMYSA-N 1 0 306.475 3.102 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3csc(C)c3C)[C@H]2C1 ZINC000631142648 401407015 /nfs/dbraw/zinc/40/70/15/401407015.db2.gz NQJXOALCAZOIJG-BHYGNILZSA-N 1 0 306.475 3.102 10 0 DGAERO c1cc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)n(CC2CCC2)n1 ZINC000631174447 401416084 /nfs/dbraw/zinc/41/60/84/401416084.db2.gz MLRGIFFNTPDGCG-QGZVFWFLSA-N 1 0 316.493 3.180 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CC23CCSCC3)n(CC2CCC2)n1 ZINC000631160356 401411296 /nfs/dbraw/zinc/41/12/96/401411296.db2.gz QFZSVCZXUWKWTP-HNNXBMFYSA-N 1 0 305.491 3.306 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CC23CCSCC3)n(CC2CCC2)n1 ZINC000631160357 401411319 /nfs/dbraw/zinc/41/13/19/401411319.db2.gz QFZSVCZXUWKWTP-OAHLLOKOSA-N 1 0 305.491 3.306 10 0 DGAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+][C@H]1CCCC12CC2 ZINC000631192728 401421786 /nfs/dbraw/zinc/42/17/86/401421786.db2.gz OZAYMMPXCCTWAZ-INIZCTEOSA-N 1 0 311.385 3.228 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]Cc3nccs3)[C@H]21 ZINC000631193804 401421905 /nfs/dbraw/zinc/42/19/05/401421905.db2.gz PGJUEHFGIBTWSD-ZLKJLUDKSA-N 1 0 321.243 3.334 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(Br)s1 ZINC000631215943 401428847 /nfs/dbraw/zinc/42/88/47/401428847.db2.gz IDXKCDWMKXKPNB-RNFRBKRXSA-N 1 0 314.195 3.177 10 0 DGAERO c1cc(C[NH2+]Cc2cccc3c2CCOC3)n(CC2CCC2)n1 ZINC000631244035 401435679 /nfs/dbraw/zinc/43/56/79/401435679.db2.gz WBJOMADBNVFKSH-UHFFFAOYSA-N 1 0 311.429 3.046 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623377853 401503902 /nfs/dbraw/zinc/50/39/02/401503902.db2.gz MMUFWCWLFAFZOH-QMMMGPOBSA-N 1 0 308.166 3.099 10 0 DGAERO Brc1cccc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890331 401564367 /nfs/dbraw/zinc/56/43/67/401564367.db2.gz QWTXORMGFICUOI-HIFRSBDPSA-N 1 0 309.251 3.023 10 0 DGAERO CSCc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000358465221 286069448 /nfs/dbraw/zinc/06/94/48/286069448.db2.gz VSZTVTSBPMJSOG-UHFFFAOYSA-N 1 0 319.474 3.323 10 0 DGAERO CCOc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c(C)c1 ZINC000358469648 286070667 /nfs/dbraw/zinc/07/06/67/286070667.db2.gz ONGCIMXNQCQIFA-UHFFFAOYSA-N 1 0 317.433 3.167 10 0 DGAERO Fc1cccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1Br ZINC000623755133 401576775 /nfs/dbraw/zinc/57/67/75/401576775.db2.gz ZRKKNLSRQYPEHG-AAEUAGOBSA-N 1 0 314.198 3.245 10 0 DGAERO c1cc(Sc2ccccn2)oc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000623755023 401576778 /nfs/dbraw/zinc/57/67/78/401576778.db2.gz XNUXLXNSTKNPIY-HIFRSBDPSA-N 1 0 316.426 3.483 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+]CCCc1ccc3c(c1)CCO3)C2 ZINC000628382842 401586555 /nfs/dbraw/zinc/58/65/55/401586555.db2.gz KYISTSZMUFYNJO-FQEVSTJZSA-N 1 0 323.436 3.285 10 0 DGAERO c1cc(C[NH2+][C@H]2CCCC23CC3)cc(N2CCSCC2)n1 ZINC000631723881 401544414 /nfs/dbraw/zinc/54/44/14/401544414.db2.gz LIKDXXFPHOXJKM-HNNXBMFYSA-N 1 0 303.475 3.057 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]C[C@@H]3Cc4ccccc4CO3)cc2)c1 ZINC000623601705 401554120 /nfs/dbraw/zinc/55/41/20/401554120.db2.gz NSNZOEOVNCJAHJ-FQEVSTJZSA-N 1 0 319.408 3.103 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+]Cc1ccc3ncccc3c1)C2 ZINC000623601815 401554257 /nfs/dbraw/zinc/55/42/57/401554257.db2.gz RBAUUPRVUTYFTB-IBGZPJMESA-N 1 0 304.393 3.466 10 0 DGAERO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632855751 401632453 /nfs/dbraw/zinc/63/24/53/401632453.db2.gz UGDNHYCUUPZKPR-HZMBPMFUSA-N 1 0 313.228 3.208 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000624172241 401634506 /nfs/dbraw/zinc/63/45/06/401634506.db2.gz KGBJJLYVKZGLSD-IUODEOHRSA-N 1 0 317.260 3.365 10 0 DGAERO c1n[nH]cc1C[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000624214237 401640041 /nfs/dbraw/zinc/64/00/41/401640041.db2.gz WETKNYGVZLYPQF-UHFFFAOYSA-N 1 0 307.397 3.416 10 0 DGAERO c1csc(CC2C[NH+](Cc3ccc4c(c3)OCCO4)C2)c1 ZINC000628478804 401604456 /nfs/dbraw/zinc/60/44/56/401604456.db2.gz QANWKGWNSMTZPD-UHFFFAOYSA-N 1 0 301.411 3.194 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000624311782 401649560 /nfs/dbraw/zinc/64/95/60/401649560.db2.gz AOHUWLBTENYCBY-ZBINZKHDSA-N 1 0 310.235 3.451 10 0 DGAERO c1ccc([C@@H]([NH2+]CCN2CCc3ccccc32)[C@@H]2CCOC2)cc1 ZINC000428324512 296616018 /nfs/dbraw/zinc/61/60/18/296616018.db2.gz LBSATBFDJLQBPC-TZIWHRDSSA-N 1 0 322.452 3.417 10 0 DGAERO c1ccc(-c2ncc3c(n2)CC[C@@H]([NH2+]Cc2ccncc2)C3)cc1 ZINC000624477333 401664238 /nfs/dbraw/zinc/66/42/38/401664238.db2.gz KIEDFUMLTPOPHO-GOSISDBHSA-N 1 0 316.408 3.186 10 0 DGAERO c1coc(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)c1 ZINC000624477133 401664009 /nfs/dbraw/zinc/66/40/09/401664009.db2.gz HBONZDHTIQRVRC-INIZCTEOSA-N 1 0 305.381 3.384 10 0 DGAERO c1ccc2c(c1)C=C(CN1CCCC[C@@H]([NH+]3CCCC3)C1)CO2 ZINC000092785706 296620134 /nfs/dbraw/zinc/62/01/34/296620134.db2.gz NCQHSGMVDOUFBR-LJQANCHMSA-N 1 0 312.457 3.413 10 0 DGAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncc(Br)c2ccsc21 ZINC000629381738 401682902 /nfs/dbraw/zinc/68/29/02/401682902.db2.gz YMROQJNWOYILBR-OIBJUYFYSA-N 1 0 312.236 3.221 10 0 DGAERO C[C@@H](CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1)[NH+](C)C ZINC000358773650 286150414 /nfs/dbraw/zinc/15/04/14/286150414.db2.gz QHECAOSZSFPUOU-NSHDSACASA-N 1 0 302.447 3.003 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000358785370 286153806 /nfs/dbraw/zinc/15/38/06/286153806.db2.gz ZYNGEOWNVXISKS-KBPBESRZSA-N 1 0 302.409 3.193 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCc1ccncc1 ZINC000358951597 286196322 /nfs/dbraw/zinc/19/63/22/286196322.db2.gz KXFXYJCNKVCHPH-IBGZPJMESA-N 1 0 318.424 3.477 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CC[C@H]1CCOC1 ZINC000359002204 286211536 /nfs/dbraw/zinc/21/15/36/286211536.db2.gz LJXNKIQNHGWHBK-YJBOKZPZSA-N 1 0 311.429 3.266 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000359016433 286216049 /nfs/dbraw/zinc/21/60/49/286216049.db2.gz HAEHOFAAYMWOGB-HNAYVOBHSA-N 1 0 318.436 3.433 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000359025297 286218421 /nfs/dbraw/zinc/21/84/21/286218421.db2.gz GSKQBMZPJRUVSG-GXTWGEPZSA-N 1 0 306.475 3.146 10 0 DGAERO COc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1F ZINC000187125968 286235402 /nfs/dbraw/zinc/23/54/02/286235402.db2.gz BPJLXLDCWCFUCN-CYBMUJFWSA-N 1 0 323.412 3.220 10 0 DGAERO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359205164 286260617 /nfs/dbraw/zinc/26/06/17/286260617.db2.gz FDLKXSKMBHQLKM-ZTFGCOKTSA-N 1 0 317.408 3.053 10 0 DGAERO CO[C@]1(C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)CCOC1 ZINC000359400480 286300060 /nfs/dbraw/zinc/30/00/60/286300060.db2.gz RAQXYVZUBGERDV-YGRLFVJLSA-N 1 0 304.217 3.450 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C[C@@H]2CC[C@H](C)O2)C2CC2)c1 ZINC000190299214 286342438 /nfs/dbraw/zinc/34/24/38/286342438.db2.gz JMDWTRMWWFLGRA-GUYCJALGSA-N 1 0 305.418 3.236 10 0 DGAERO CC(C)[C@@H](C(=O)Nc1cccc(CCCO)c1)[NH+]1CCCCC1 ZINC000359605599 286345490 /nfs/dbraw/zinc/34/54/90/286345490.db2.gz PXJYBEJXXVKMIP-SFHVURJKSA-N 1 0 318.461 3.061 10 0 DGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1(C(F)(F)F)CCC1 ZINC000359759061 286376216 /nfs/dbraw/zinc/37/62/16/286376216.db2.gz SOVXOQVAPRGCTE-LBPRGKRZSA-N 1 0 306.372 3.100 10 0 DGAERO CC(C)N(C)c1ccc(C[NH2+]C[C@](C)(O)C2CCCCC2)cn1 ZINC000359799933 286382543 /nfs/dbraw/zinc/38/25/43/286382543.db2.gz NZROSBCYGIFINW-IBGZPJMESA-N 1 0 319.493 3.347 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360030082 286411132 /nfs/dbraw/zinc/41/11/32/286411132.db2.gz UAPODIZFBSPPKU-WBVHZDCISA-N 1 0 317.477 3.223 10 0 DGAERO COc1ccc(C)cc1C1(C[NH2+][C@H](C)[C@H](C)OC)CCOCC1 ZINC000360583441 286504074 /nfs/dbraw/zinc/50/40/74/286504074.db2.gz SAPMTMWDWKLYBE-CVEARBPZSA-N 1 0 321.461 3.065 10 0 DGAERO CCC[C@H]1C[C@@H]1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000361447453 286674159 /nfs/dbraw/zinc/67/41/59/286674159.db2.gz KYIAYRRKMLBEAX-YOEHRIQHSA-N 1 0 304.434 3.139 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000245593524 292383582 /nfs/dbraw/zinc/38/35/82/292383582.db2.gz MDACWCLYOOTYGP-NUTKFTJISA-N 1 0 324.852 3.017 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@@H]1SC ZINC000362313370 286799581 /nfs/dbraw/zinc/79/95/81/286799581.db2.gz SVXPHIPICZGINL-YUELXQCFSA-N 1 0 315.866 3.347 10 0 DGAERO c1ccc(CCC[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000363034696 286889657 /nfs/dbraw/zinc/88/96/57/286889657.db2.gz XKTXJLWHXQHOIE-UHFFFAOYSA-N 1 0 310.445 3.037 10 0 DGAERO Brc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCSC1 ZINC000364265424 287005277 /nfs/dbraw/zinc/00/52/77/287005277.db2.gz HALDDTKVRMAGSV-CABZTGNLSA-N 1 0 314.248 3.368 10 0 DGAERO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000364305695 287010431 /nfs/dbraw/zinc/01/04/31/287010431.db2.gz LIHDVOZXXLJOMV-ZGXWSNOMSA-N 1 0 315.457 3.326 10 0 DGAERO CCOCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000364438820 287026769 /nfs/dbraw/zinc/02/67/69/287026769.db2.gz BVWJGPCPHATPLR-PKOBYXMFSA-N 1 0 304.478 3.303 10 0 DGAERO CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000364644271 287048214 /nfs/dbraw/zinc/04/82/14/287048214.db2.gz ZRQOAMMIGGZHKP-ZDUSSCGKSA-N 1 0 315.244 3.136 10 0 DGAERO c1c(CC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)nc2ccccn12 ZINC000364660434 287050359 /nfs/dbraw/zinc/05/03/59/287050359.db2.gz SCEBCDKGVCKDQQ-RYQLBKOJSA-N 1 0 313.445 3.062 10 0 DGAERO CCCN(CC1CC1)C(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000364768495 287059806 /nfs/dbraw/zinc/05/98/06/287059806.db2.gz IZNKVGQCBKCIGJ-AWEZNQCLSA-N 1 0 303.450 3.287 10 0 DGAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000172862655 164674811 /nfs/dbraw/zinc/67/48/11/164674811.db2.gz PWZCQZILJXHEFY-ROUUACIJSA-N 1 0 304.478 3.193 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000173508367 164698633 /nfs/dbraw/zinc/69/86/33/164698633.db2.gz XFNNKZXQBNTKFE-INIZCTEOSA-N 1 0 319.449 3.248 10 0 DGAERO Fc1ccc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000364919508 287075844 /nfs/dbraw/zinc/07/58/44/287075844.db2.gz WKTQZBUFWHHICG-INIZCTEOSA-N 1 0 305.441 3.309 10 0 DGAERO CC(C)n1cc([C@@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)cn1 ZINC000180400238 164882447 /nfs/dbraw/zinc/88/24/47/164882447.db2.gz BLQPMIDUOORKJA-CZUORRHYSA-N 1 0 312.417 3.241 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)sc1C)CC2 ZINC000180609562 164889835 /nfs/dbraw/zinc/88/98/35/164889835.db2.gz KKDGQQVTXBXVKX-YPMHNXCESA-N 1 0 304.463 3.184 10 0 DGAERO Cc1cccc(S(=O)(=O)CCC[NH2+][C@@H](C)C2CCCC2)c1 ZINC000184407928 164977450 /nfs/dbraw/zinc/97/74/50/164977450.db2.gz FDSGRXRFAOHYEL-HNNXBMFYSA-N 1 0 309.475 3.327 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)o2)c2ccc(F)cc2C1 ZINC000185351027 165001683 /nfs/dbraw/zinc/00/16/83/165001683.db2.gz GWTDGKOROTZTKC-SFHVURJKSA-N 1 0 316.376 3.310 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)c2ccc(F)cc2C1 ZINC000185361057 165002038 /nfs/dbraw/zinc/00/20/38/165002038.db2.gz WIPDCJPXCICBQA-KRWDZBQOSA-N 1 0 318.417 3.470 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)Cc2cccs2)C12CCOCC2 ZINC000186359060 165039802 /nfs/dbraw/zinc/03/98/02/165039802.db2.gz YSQXPFKMQSRUDE-BHYGNILZSA-N 1 0 323.502 3.491 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)c2ncc(C)s2)C12CCOCC2 ZINC000186504302 165047183 /nfs/dbraw/zinc/04/71/83/165047183.db2.gz VDMCHVIYIUPEDV-BPLDGKMQSA-N 1 0 324.490 3.119 10 0 DGAERO C[C@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1cc2ccccc2o1 ZINC000186504815 165047263 /nfs/dbraw/zinc/04/72/63/165047263.db2.gz HCJQHEKNESNNPF-ZFWWWQNUSA-N 1 0 312.413 3.279 10 0 DGAERO O=C(c1cc2cc(F)ccc2s1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186542623 165048684 /nfs/dbraw/zinc/04/86/84/165048684.db2.gz VMEROJZULZRABB-CYBMUJFWSA-N 1 0 318.417 3.397 10 0 DGAERO Cc1cc2cc(C(=O)N(C[C@H]3CCC[NH2+]3)C3CC3)oc2cc1C ZINC000186536917 165048715 /nfs/dbraw/zinc/04/87/15/165048715.db2.gz BDWPJHGWUSSLPB-OAHLLOKOSA-N 1 0 312.413 3.406 10 0 DGAERO Cc1ncc(CN(C)CC[N@H+](C)Cc2ccc(F)cc2)s1 ZINC000186684325 165055150 /nfs/dbraw/zinc/05/51/50/165055150.db2.gz RHIIFIHVRFQGCJ-UHFFFAOYSA-N 1 0 307.438 3.154 10 0 DGAERO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000186687505 165055298 /nfs/dbraw/zinc/05/52/98/165055298.db2.gz AHGICODTVUVQOU-UHFFFAOYSA-N 1 0 317.477 3.169 10 0 DGAERO CN1CCN([C@@H]2CCCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC000186853297 165064170 /nfs/dbraw/zinc/06/41/70/165064170.db2.gz VCINKHUIEVSYAA-LJQANCHMSA-N 1 0 307.526 3.059 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCSCC1)c1ccc(-n2cncn2)cc1 ZINC000186936826 165067231 /nfs/dbraw/zinc/06/72/31/165067231.db2.gz PYQJWJQAVUEAQE-KBPBESRZSA-N 1 0 316.474 3.450 10 0 DGAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000187120083 165077469 /nfs/dbraw/zinc/07/74/69/165077469.db2.gz GWMZOUIWTRQZPV-KBXCAEBGSA-N 1 0 312.413 3.414 10 0 DGAERO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000187307040 165085005 /nfs/dbraw/zinc/08/50/05/165085005.db2.gz HURAIXVKODNHSR-FGTMMUONSA-N 1 0 309.425 3.121 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(C)n1 ZINC000187379494 165089797 /nfs/dbraw/zinc/08/97/97/165089797.db2.gz HVOHORKDKCJJEE-MRXNPFEDSA-N 1 0 311.433 3.074 10 0 DGAERO C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cnccn1 ZINC000187570839 165095654 /nfs/dbraw/zinc/09/56/54/165095654.db2.gz OASAJEXPHZNVMZ-LPHOPBHVSA-N 1 0 310.445 3.182 10 0 DGAERO C[C@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(-c2cccnc2)cc1 ZINC000188257449 165118710 /nfs/dbraw/zinc/11/87/10/165118710.db2.gz DTYPIUDWDYAIEG-ZDUSSCGKSA-N 1 0 321.380 3.291 10 0 DGAERO O=C(Nc1ccc(Oc2cccc(F)c2)cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188410002 165123506 /nfs/dbraw/zinc/12/35/06/165123506.db2.gz YIZQZWFLYOFNGH-BLLLJJGKSA-N 1 0 318.323 3.257 10 0 DGAERO Cc1nc([C@@H]2CCCN2C[C@H](O)COc2ccccc2)cs1 ZINC000189779470 165176739 /nfs/dbraw/zinc/17/67/39/165176739.db2.gz KCSPTKGOVQHUPJ-YOEHRIQHSA-N 1 0 318.442 3.028 10 0 DGAERO COC(=O)CCC[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189803159 165177939 /nfs/dbraw/zinc/17/79/39/165177939.db2.gz BVSQYKDDTQLVMA-UHFFFAOYSA-N 1 0 316.401 3.269 10 0 DGAERO Cc1nc([C@H]2CCCN2CC(=O)NC2CCC(C)CC2)cs1 ZINC000189851229 165180011 /nfs/dbraw/zinc/18/00/11/165180011.db2.gz PSJDQRAZEOYJJS-LDZOIKDWSA-N 1 0 321.490 3.283 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000190166069 165191175 /nfs/dbraw/zinc/19/11/75/165191175.db2.gz CUHMEDDKNZYTKC-SJLPKXTDSA-N 1 0 324.509 3.162 10 0 DGAERO C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)[C@@H]1CO ZINC000190344214 165198359 /nfs/dbraw/zinc/19/83/59/165198359.db2.gz BLDUQMLALICMDX-BXUZGUMPSA-N 1 0 306.793 3.198 10 0 DGAERO CCC1CCC([NH2+]Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000190796684 165216905 /nfs/dbraw/zinc/21/69/05/165216905.db2.gz KZYJVKFZIYXKQK-UHFFFAOYSA-N 1 0 305.466 3.223 10 0 DGAERO C(C1CCC2(CC1)OCCO2)[NH+]1CCC(C2CCOCC2)CC1 ZINC000365126413 287099865 /nfs/dbraw/zinc/09/98/65/287099865.db2.gz RDJZDLRIRQAMTC-UHFFFAOYSA-N 1 0 323.477 3.058 10 0 DGAERO C[C@H](C[NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc(F)cc1F ZINC000191241826 165237812 /nfs/dbraw/zinc/23/78/12/165237812.db2.gz PQZVSNCHLYBEKC-LLVKDONJSA-N 1 0 308.376 3.205 10 0 DGAERO CC(C)OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191242310 165238010 /nfs/dbraw/zinc/23/80/10/165238010.db2.gz DLXOAQMYOSHIDR-HNNXBMFYSA-N 1 0 319.367 3.227 10 0 DGAERO CCN(C)c1ccc(C[N@H+](CC)CCc2nccs2)cn1 ZINC000191418088 165248246 /nfs/dbraw/zinc/24/82/46/165248246.db2.gz FFACFFDSAHCLAJ-UHFFFAOYSA-N 1 0 304.463 3.059 10 0 DGAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191531027 165257946 /nfs/dbraw/zinc/25/79/46/165257946.db2.gz PNVALYQKEGWAIZ-CYBMUJFWSA-N 1 0 310.388 3.011 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000191621084 165262572 /nfs/dbraw/zinc/26/25/72/165262572.db2.gz PXJBVLNJXQLQIP-RDTXWAMCSA-N 1 0 315.461 3.188 10 0 DGAERO COC(=O)[C@@H](C)N(Cc1cc(F)cc2cccnc21)C1CCC1 ZINC000192387506 165291026 /nfs/dbraw/zinc/29/10/26/165291026.db2.gz YCBFHRUIUHGYAP-GFCCVEGCSA-N 1 0 316.376 3.290 10 0 DGAERO CCc1onc(C)c1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000192681105 165301608 /nfs/dbraw/zinc/30/16/08/165301608.db2.gz XFUXUTIGPAPRGK-HNNXBMFYSA-N 1 0 321.465 3.032 10 0 DGAERO COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1F ZINC000192691304 165302181 /nfs/dbraw/zinc/30/21/81/165302181.db2.gz VDKUUUIIMXIYTG-CABCVRRESA-N 1 0 303.381 3.304 10 0 DGAERO CC(C)(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000192775613 165306237 /nfs/dbraw/zinc/30/62/37/165306237.db2.gz FZFOCVIZNYMOSM-UHFFFAOYSA-N 1 0 314.473 3.299 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccc(Cl)s1 ZINC000193114071 165318708 /nfs/dbraw/zinc/31/87/08/165318708.db2.gz XXAPJQBZKBNZJG-LLVKDONJSA-N 1 0 300.855 3.311 10 0 DGAERO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(Cl)s2)no1 ZINC000193111255 165318822 /nfs/dbraw/zinc/31/88/22/165318822.db2.gz QFXYBBHAJXRSML-SECBINFHSA-N 1 0 313.810 3.377 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)s1 ZINC000193112359 165318899 /nfs/dbraw/zinc/31/88/99/165318899.db2.gz VBGUIFSPJOKWSP-GHMZBOCLSA-N 1 0 300.855 3.311 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC000194325638 165342606 /nfs/dbraw/zinc/34/26/06/165342606.db2.gz HNWASDLLQNJILL-IBGZPJMESA-N 1 0 308.425 3.208 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(COC(C)C)cc2)C1 ZINC000194418457 165345155 /nfs/dbraw/zinc/34/51/55/165345155.db2.gz ALBPWLAWPVSIBL-QGZVFWFLSA-N 1 0 319.449 3.217 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194518799 165348159 /nfs/dbraw/zinc/34/81/59/165348159.db2.gz SNQHNNZVBMSILM-KBXCAEBGSA-N 1 0 315.461 3.224 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194896926 165358227 /nfs/dbraw/zinc/35/82/27/165358227.db2.gz BXGWFVQTVTXTTP-IAGOWNOFSA-N 1 0 318.848 3.140 10 0 DGAERO O=C(c1ccc(-c2ccccc2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195314926 165364931 /nfs/dbraw/zinc/36/49/31/165364931.db2.gz HONXCVNPMQPFDO-IBGZPJMESA-N 1 0 306.409 3.274 10 0 DGAERO CCOc1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1OCC ZINC000195337781 165364963 /nfs/dbraw/zinc/36/49/63/165364963.db2.gz WKPIKXZMMZIWGL-UHFFFAOYSA-N 1 0 318.461 3.154 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](C[C@H](O)c3ccccc3)C2)n1 ZINC000195327101 165365647 /nfs/dbraw/zinc/36/56/47/165365647.db2.gz KKYJVTSAFHIESO-CVEARBPZSA-N 1 0 302.443 3.365 10 0 DGAERO Cc1csc([C@@H]2CCCN(Cc3nc(C4CC4)no3)C2)n1 ZINC000195323641 165366025 /nfs/dbraw/zinc/36/60/25/165366025.db2.gz GMACHKYWIBBRJQ-GFCCVEGCSA-N 1 0 304.419 3.092 10 0 DGAERO C[C@H]1CCCCN1C(=O)CN1CCCC[C@@H]1c1nccs1 ZINC000195440097 165370613 /nfs/dbraw/zinc/37/06/13/165370613.db2.gz GRJYPEODXDQQDP-UONOGXRCSA-N 1 0 307.463 3.071 10 0 DGAERO COc1ccc(Cl)cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505628 165371785 /nfs/dbraw/zinc/37/17/85/165371785.db2.gz FUJDUYKDOIZDJI-UHFFFAOYSA-N 1 0 305.809 3.451 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNCc1ccc(Cl)cc1Br ZINC000226453368 165382947 /nfs/dbraw/zinc/38/29/47/165382947.db2.gz BETQZXHBNKLZDV-LBPRGKRZSA-N 1 0 317.658 3.286 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(-c2ccccn2)c1 ZINC000245683423 165474072 /nfs/dbraw/zinc/47/40/72/165474072.db2.gz ACGXRGQMZSMVAT-LPHOPBHVSA-N 1 0 307.441 3.417 10 0 DGAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000245740590 165480439 /nfs/dbraw/zinc/48/04/39/165480439.db2.gz GCQJNWIMQPZURK-CBZIJGRNSA-N 1 0 304.482 3.193 10 0 DGAERO Cn1cc(N2CCC[C@H]([NH2+][C@H](c3ccccc3)C3CC3)C2)cn1 ZINC000245945067 165494074 /nfs/dbraw/zinc/49/40/74/165494074.db2.gz BISNPUNRNSQZMO-PKOBYXMFSA-N 1 0 310.445 3.130 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000247052885 165561506 /nfs/dbraw/zinc/56/15/06/165561506.db2.gz ZMTONTIHXFBEAR-ILXRZTDVSA-N 1 0 322.399 3.011 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1OC ZINC000247225379 165571380 /nfs/dbraw/zinc/57/13/80/165571380.db2.gz WPCAFJNMXIUGBI-KUZCPNRJSA-N 1 0 319.445 3.450 10 0 DGAERO CCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247434135 165583486 /nfs/dbraw/zinc/58/34/86/165583486.db2.gz MMQOFQMBAXDATI-YJBOKZPZSA-N 1 0 317.477 3.088 10 0 DGAERO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249055499 287132753 /nfs/dbraw/zinc/13/27/53/287132753.db2.gz XLJHPRWCBDOVAD-WFASDCNBSA-N 1 0 315.335 3.258 10 0 DGAERO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000249047989 165666721 /nfs/dbraw/zinc/66/67/21/165666721.db2.gz WUDNYCAJPIFMDL-HUUCEWRRSA-N 1 0 322.836 3.210 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)Cc2ccccc2)C12CCOCC2 ZINC000249432881 165675526 /nfs/dbraw/zinc/67/55/26/165675526.db2.gz KDHVFUUZLSLXFJ-NZSAHSFTSA-N 1 0 317.473 3.429 10 0 DGAERO COc1cccc2cc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)oc21 ZINC000252737983 165701282 /nfs/dbraw/zinc/70/12/82/165701282.db2.gz DHORABQZIQJBRO-OABGYEMISA-N 1 0 309.431 3.249 10 0 DGAERO C[C@H]1CCN(Cc2csc(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000261595587 165720503 /nfs/dbraw/zinc/72/05/03/165720503.db2.gz GOFKWFXTTZNKBA-BBRMVZONSA-N 1 0 301.459 3.369 10 0 DGAERO CCCCN(C)c1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261757620 165745280 /nfs/dbraw/zinc/74/52/80/165745280.db2.gz FCBUMLNWBNXWQX-QGZVFWFLSA-N 1 0 317.477 3.122 10 0 DGAERO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261837682 165755532 /nfs/dbraw/zinc/75/55/32/165755532.db2.gz ACGWFOQBUHJHHI-GUDVDZBRSA-N 1 0 302.462 3.057 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000261932455 165765925 /nfs/dbraw/zinc/76/59/25/165765925.db2.gz BQFXKJPDENKNSM-BMFZPTHFSA-N 1 0 306.837 3.282 10 0 DGAERO [NH3+]C1(c2noc([C@@H]3C[C@H]3c3ccccc3OC(F)F)n2)CCC1 ZINC000261933369 165768403 /nfs/dbraw/zinc/76/84/03/165768403.db2.gz LUKOHLMSIRGAHT-WDEREUQCSA-N 1 0 321.327 3.280 10 0 DGAERO CC(C)c1ncc(CN(CC[NH3+])CCc2ccccc2)s1 ZINC000262079691 165785153 /nfs/dbraw/zinc/78/51/53/165785153.db2.gz SYXUGJULLQMFSW-UHFFFAOYSA-N 1 0 303.475 3.270 10 0 DGAERO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000262564396 165811014 /nfs/dbraw/zinc/81/10/14/165811014.db2.gz RIQLFOKSAWAYNE-SNVBAGLBSA-N 1 0 315.244 3.197 10 0 DGAERO CC(C)c1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c2ccccc2n1 ZINC000262911968 165823406 /nfs/dbraw/zinc/82/34/06/165823406.db2.gz YPSGXDGCAQIZPK-CJNGLKHVSA-N 1 0 311.429 3.086 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000262920914 165824453 /nfs/dbraw/zinc/82/44/53/165824453.db2.gz ZIZHTUOOECMZQW-OCCSQVGLSA-N 1 0 306.475 3.135 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C12CCC2 ZINC000366040399 287203646 /nfs/dbraw/zinc/20/36/46/287203646.db2.gz OWHWMRIKNJCKRX-HOTGVXAUSA-N 1 0 301.390 3.107 10 0 DGAERO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000128891702 196000556 /nfs/dbraw/zinc/00/05/56/196000556.db2.gz RDMGTFVBXMKJAV-CYBMUJFWSA-N 1 0 321.440 3.005 10 0 DGAERO Cc1ccc2nc(C[NH2+][C@H]3CCCC[C@@H]3n3cccn3)cn2c1 ZINC000128917933 196004175 /nfs/dbraw/zinc/00/41/75/196004175.db2.gz MVQUDXWZUDGYQI-IRXDYDNUSA-N 1 0 309.417 3.113 10 0 DGAERO Cc1cc([C@H]2CN(CCc3ccccn3)CCO2)ccc1F ZINC000128980359 196009215 /nfs/dbraw/zinc/00/92/15/196009215.db2.gz RYOHENGEWGEDEZ-GOSISDBHSA-N 1 0 300.377 3.145 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000191261495 287230698 /nfs/dbraw/zinc/23/06/98/287230698.db2.gz PDUZMZKVRWCVGU-VXGBXAGGSA-N 1 0 317.351 3.361 10 0 DGAERO Cc1oncc1C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000129301143 196037440 /nfs/dbraw/zinc/03/74/40/196037440.db2.gz HAYKXXWSIXTZKE-MRXNPFEDSA-N 1 0 302.349 3.360 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccc2nc1C ZINC000246642794 432151880 /nfs/dbraw/zinc/15/18/80/432151880.db2.gz VWSKPRYWQRBVPH-IRXDYDNUSA-N 1 0 323.440 3.242 10 0 DGAERO COc1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)cc1F ZINC000190398336 432152680 /nfs/dbraw/zinc/15/26/80/432152680.db2.gz GLIZHAKMRCNMOW-UHFFFAOYSA-N 1 0 303.377 3.489 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc2cc(Cl)ccc2o1 ZINC000181928746 432150995 /nfs/dbraw/zinc/15/09/95/432150995.db2.gz RNDKHKCIJPUEPT-SMDDNHRTSA-N 1 0 308.809 3.067 10 0 DGAERO CCC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000171679501 432160071 /nfs/dbraw/zinc/16/00/71/432160071.db2.gz XOADPXYFWPCLES-SFHVURJKSA-N 1 0 316.445 3.233 10 0 DGAERO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000246742342 432160481 /nfs/dbraw/zinc/16/04/81/432160481.db2.gz GGSFVECKBZQPQM-NJAFHUGGSA-N 1 0 302.462 3.367 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)s1 ZINC000246739269 432160504 /nfs/dbraw/zinc/16/05/04/432160504.db2.gz AXAPFBYNFTVSHC-FFSVYQOJSA-N 1 0 323.506 3.454 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000246748590 432161939 /nfs/dbraw/zinc/16/19/39/432161939.db2.gz ZRUMKBJFHPQBEL-HQRMLTQVSA-N 1 0 320.436 3.288 10 0 DGAERO Cc1nc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)nc2ccccc12 ZINC000246749456 432161943 /nfs/dbraw/zinc/16/19/43/432161943.db2.gz HDHGTCPOFJWKIQ-KXBFYZLASA-N 1 0 311.429 3.065 10 0 DGAERO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCS[C@@H](C)C3)cc2)n1 ZINC000171691679 432162132 /nfs/dbraw/zinc/16/21/32/432162132.db2.gz QPBMVZNWCOWQPT-HNNXBMFYSA-N 1 0 301.459 3.426 10 0 DGAERO Cc1cccc(NC[C@H]2CC[N@H+](CCOc3ccccc3)C2)n1 ZINC000171652699 432155611 /nfs/dbraw/zinc/15/56/11/432155611.db2.gz JIMFKVLJHQDJNA-QGZVFWFLSA-N 1 0 311.429 3.203 10 0 DGAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000190422243 432155779 /nfs/dbraw/zinc/15/57/79/432155779.db2.gz PWXJQUAGSKJZCV-XOKHGSTOSA-N 1 0 315.417 3.019 10 0 DGAERO CCc1cc(C)c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)o1 ZINC000182061888 432156021 /nfs/dbraw/zinc/15/60/21/432156021.db2.gz MPZCHFWHQUGOPU-OAHLLOKOSA-N 1 0 314.429 3.401 10 0 DGAERO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000246715310 432157132 /nfs/dbraw/zinc/15/71/32/432157132.db2.gz KVITUCCWURPSKU-HZPDHXFCSA-N 1 0 302.443 3.365 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246707156 432157901 /nfs/dbraw/zinc/15/79/01/432157901.db2.gz NGVCYTBFPHSYQF-SUMWQHHRSA-N 1 0 324.415 3.086 10 0 DGAERO CCCCCC[C@@H](C)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246732063 432158294 /nfs/dbraw/zinc/15/82/94/432158294.db2.gz MJADSBSRJMATAM-SJORKVTESA-N 1 0 324.509 3.305 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1 ZINC000182093940 432158827 /nfs/dbraw/zinc/15/88/27/432158827.db2.gz AJGBFGGJPPAUKA-KBXCAEBGSA-N 1 0 306.450 3.483 10 0 DGAERO CC(C)[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(F)c(F)c1 ZINC000182107273 432158927 /nfs/dbraw/zinc/15/89/27/432158927.db2.gz LJLDRHXFBMJJEM-CABCVRRESA-N 1 0 301.402 3.120 10 0 DGAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000190487943 432162932 /nfs/dbraw/zinc/16/29/32/432162932.db2.gz FBKPVLNZUDJBRP-FQEVSTJZSA-N 1 0 309.457 3.078 10 0 DGAERO CCc1ccc(CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000171728208 432165046 /nfs/dbraw/zinc/16/50/46/432165046.db2.gz KEARJAXOBLMKGT-MRXNPFEDSA-N 1 0 312.417 3.409 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000246775638 432165662 /nfs/dbraw/zinc/16/56/62/432165662.db2.gz CFUAXBXQWLCTCN-FHLIZLRMSA-N 1 0 315.461 3.166 10 0 DGAERO c1ccc2c(c1)C=C(C[NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)CO2 ZINC000246793167 432167029 /nfs/dbraw/zinc/16/70/29/432167029.db2.gz PLUHHTDMYQGHLP-QXAKKESOSA-N 1 0 311.425 3.400 10 0 DGAERO Cc1cc(F)ccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000136962277 432167173 /nfs/dbraw/zinc/16/71/73/432167173.db2.gz BWSURDOHYPMASM-KRWDZBQOSA-N 1 0 300.377 3.167 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1C ZINC000246828321 432170815 /nfs/dbraw/zinc/17/08/15/432170815.db2.gz AHPQRWIAPFIFCP-GJZGRUSLSA-N 1 0 306.837 3.347 10 0 DGAERO Cc1cc2[nH]c(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)cc2c(C)c1 ZINC000246832901 432170954 /nfs/dbraw/zinc/17/09/54/432170954.db2.gz CVIHCVZTJBZAIV-HUUCEWRRSA-N 1 0 311.429 3.093 10 0 DGAERO CSc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246882617 432176865 /nfs/dbraw/zinc/17/68/65/432176865.db2.gz CWXDNJMIQDUAGH-OCCSQVGLSA-N 1 0 305.447 3.109 10 0 DGAERO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@H](O)C1CCCCC1 ZINC000190625628 432177009 /nfs/dbraw/zinc/17/70/09/432177009.db2.gz HBOQUIIEMNHKJS-JVJLVOBOSA-N 1 0 323.502 3.358 10 0 DGAERO Cc1cc(N2CCC(OCCCO)CC2)c2cc(F)ccc2[nH+]1 ZINC000129613985 196062100 /nfs/dbraw/zinc/06/21/00/196062100.db2.gz JQRGWCBDQKRHLQ-UHFFFAOYSA-N 1 0 318.392 3.050 10 0 DGAERO COc1cccc(C[N@H+](C)Cc2cc(C)c(OC)c(C)c2)n1 ZINC000171827334 432177799 /nfs/dbraw/zinc/17/77/99/432177799.db2.gz IOFKYIPJFYXKDM-UHFFFAOYSA-N 1 0 300.402 3.348 10 0 DGAERO C[C@H]([NH2+]CC1(C)OCCCO1)c1cccc(OC(F)F)c1 ZINC000190649291 432179129 /nfs/dbraw/zinc/17/91/29/432179129.db2.gz KQPGBHARWGJZQT-NSHDSACASA-N 1 0 301.333 3.092 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[NH+]1[C@H](C)COC[C@H]1C ZINC000137618644 432179641 /nfs/dbraw/zinc/17/96/41/432179641.db2.gz IYRCIDVSBANPBW-HZPDHXFCSA-N 1 0 304.434 3.131 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000246902154 432180414 /nfs/dbraw/zinc/18/04/14/432180414.db2.gz FLFCLQWGRKKDLB-XJKSGUPXSA-N 1 0 308.853 3.451 10 0 DGAERO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000137899879 432181046 /nfs/dbraw/zinc/18/10/46/432181046.db2.gz VPRJZIHCVMOGCB-SCLBCKFNSA-N 1 0 320.481 3.082 10 0 DGAERO Cc1cc2cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)oc2cc1C ZINC000246930512 432181617 /nfs/dbraw/zinc/18/16/17/432181617.db2.gz RGUKBTFYHRXNQK-ZBFHGGJFSA-N 1 0 312.413 3.358 10 0 DGAERO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246844422 432172691 /nfs/dbraw/zinc/17/26/91/432172691.db2.gz ZXLAYHGKZRWEJW-GXTWGEPZSA-N 1 0 323.824 3.063 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000246953962 432184579 /nfs/dbraw/zinc/18/45/79/432184579.db2.gz LXXZZMAHULYYBG-SJORKVTESA-N 1 0 323.440 3.381 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000246956661 432184631 /nfs/dbraw/zinc/18/46/31/432184631.db2.gz DGVAIMVWOVIFHX-FZMZJTMJSA-N 1 0 312.335 3.014 10 0 DGAERO C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1cccnc1 ZINC000190740111 432185029 /nfs/dbraw/zinc/18/50/29/432185029.db2.gz OSWPVKYSIRUOTA-AWEZNQCLSA-N 1 0 315.848 3.444 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1CCc1ccccn1)c1ccc(F)cc1 ZINC000246956151 432185045 /nfs/dbraw/zinc/18/50/45/432185045.db2.gz UUJJKSRJCOERBU-RTBURBONSA-N 1 0 314.404 3.351 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@](C)(O)c2cccs2)cc1 ZINC000182383816 432185272 /nfs/dbraw/zinc/18/52/72/432185272.db2.gz GNLJIDXFYNYUMM-GUYCJALGSA-N 1 0 305.443 3.358 10 0 DGAERO COc1cccc([C@@H]2CN(C[C@H](O)C3CCCCC3)CCO2)c1 ZINC000190729459 432185495 /nfs/dbraw/zinc/18/54/95/432185495.db2.gz FIAVCJYMRAYCTP-OALUTQOASA-N 1 0 319.445 3.010 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000150739921 432189514 /nfs/dbraw/zinc/18/95/14/432189514.db2.gz IVUKZJMUAHCILO-QGZVFWFLSA-N 1 0 302.418 3.482 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1F ZINC000247005306 432190345 /nfs/dbraw/zinc/19/03/45/432190345.db2.gz QRNPXNDAQKPINL-STQMWFEESA-N 1 0 310.800 3.178 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1C[C@H]1C ZINC000247025402 432191371 /nfs/dbraw/zinc/19/13/71/432191371.db2.gz NEKHIZHSGVQBLE-BREBYQMCSA-N 1 0 316.323 3.300 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000247016297 432192167 /nfs/dbraw/zinc/19/21/67/432192167.db2.gz LXOOWLKYAGFTIV-DZGCQCFKSA-N 1 0 303.406 3.097 10 0 DGAERO CC(C)(C)[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000171902737 432182889 /nfs/dbraw/zinc/18/28/89/432182889.db2.gz IFCBJMUZHAESJZ-HIFRSBDPSA-N 1 0 321.490 3.325 10 0 DGAERO CCOC(=O)CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246935366 432182983 /nfs/dbraw/zinc/18/29/83/432182983.db2.gz TXTZNQXWUQWYAC-DLBZAZTESA-N 1 0 323.408 3.057 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(Cl)c1F ZINC000150875010 432198413 /nfs/dbraw/zinc/19/84/13/432198413.db2.gz RWKSQWITMHPBIQ-LLVKDONJSA-N 1 0 300.805 3.185 10 0 DGAERO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCC2)c1C ZINC000172168299 432199901 /nfs/dbraw/zinc/19/99/01/432199901.db2.gz KXMFQFJARODKPQ-WCQYABFASA-N 1 0 320.433 3.158 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](CCCOCc1ccccc1)CC2 ZINC000182472225 432194113 /nfs/dbraw/zinc/19/41/13/432194113.db2.gz KQZUUEQLPLDMLX-MOPGFXCFSA-N 1 0 303.446 3.220 10 0 DGAERO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000247039689 432196322 /nfs/dbraw/zinc/19/63/22/432196322.db2.gz VGJLRQXXCYJRHK-ZIAGYGMSSA-N 1 0 323.506 3.361 10 0 DGAERO C[C@H](C(=O)N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCCCC1 ZINC000172092955 432197004 /nfs/dbraw/zinc/19/70/04/432197004.db2.gz DUMWCOUYXIIVPW-OLZOCXBDSA-N 1 0 306.372 3.052 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000172122942 432197441 /nfs/dbraw/zinc/19/74/41/432197441.db2.gz QVZCKZKBHYFDBV-MJGOQNOKSA-N 1 0 314.473 3.342 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c(F)c1 ZINC000130465076 196084902 /nfs/dbraw/zinc/08/49/02/196084902.db2.gz XYEUZBXHRRACNY-SJCJKPOMSA-N 1 0 319.376 3.227 10 0 DGAERO C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@@H](c2ccccc2)O1 ZINC000247121051 432202916 /nfs/dbraw/zinc/20/29/16/432202916.db2.gz MPMPURGHZGWXDH-HKUYNNGSSA-N 1 0 302.462 3.324 10 0 DGAERO Cn1cc(C[NH2+]Cc2cccc3[nH]ccc32)c(C(F)(F)F)n1 ZINC000130669146 196099853 /nfs/dbraw/zinc/09/98/53/196099853.db2.gz HPSHRMIMXPTYET-UHFFFAOYSA-N 1 0 308.307 3.210 10 0 DGAERO CCCCOc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247120057 432203444 /nfs/dbraw/zinc/20/34/44/432203444.db2.gz IZWOCGMSHWZAIR-WBVHZDCISA-N 1 0 316.445 3.174 10 0 DGAERO CC(C)C1CCC([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000131041152 196134824 /nfs/dbraw/zinc/13/48/24/196134824.db2.gz QARKZXAIXYHTHZ-HLIUYOAVSA-N 1 0 324.490 3.199 10 0 DGAERO CC1(C)C[N@H+](C[C@H](O)Cc2ccccc2)CC2(CCCC2)O1 ZINC000190969962 432207466 /nfs/dbraw/zinc/20/74/66/432207466.db2.gz JEFONTYUBBNBQF-QGZVFWFLSA-N 1 0 303.446 3.014 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cc1OC ZINC000247174527 432209099 /nfs/dbraw/zinc/20/90/99/432209099.db2.gz UULUYEUWQNCWSP-OFQRWUPVSA-N 1 0 306.450 3.083 10 0 DGAERO C[C@H](CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)CC(C)(C)C ZINC000190982925 432209054 /nfs/dbraw/zinc/20/90/54/432209054.db2.gz AODGAGVZCPJNKR-CVEARBPZSA-N 1 0 307.482 3.105 10 0 DGAERO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[C@H]1C ZINC000247179004 432209359 /nfs/dbraw/zinc/20/93/59/432209359.db2.gz ZCBFGRSHALIMLU-GIPNMCIBSA-N 1 0 300.324 3.421 10 0 DGAERO C[C@@H](CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)CC(C)(C)C ZINC000190982940 432209528 /nfs/dbraw/zinc/20/95/28/432209528.db2.gz AODGAGVZCPJNKR-JKSUJKDBSA-N 1 0 307.482 3.105 10 0 DGAERO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1C[C@@H]1C ZINC000247178983 432209919 /nfs/dbraw/zinc/20/99/19/432209919.db2.gz ZCBFGRSHALIMLU-CWSCBRNRSA-N 1 0 300.324 3.421 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247224659 432212641 /nfs/dbraw/zinc/21/26/41/432212641.db2.gz NHVGDFXTIHZOGK-BRWVUGGUSA-N 1 0 300.446 3.184 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2cccs2)o1 ZINC000247233802 432212781 /nfs/dbraw/zinc/21/27/81/432212781.db2.gz MTJAIXDLKQKSLH-STQMWFEESA-N 1 0 303.431 3.072 10 0 DGAERO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247224321 432213775 /nfs/dbraw/zinc/21/37/75/432213775.db2.gz NGKLDFWXTRGLIT-APWZRJJASA-N 1 0 323.440 3.030 10 0 DGAERO CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247241166 432214304 /nfs/dbraw/zinc/21/43/04/432214304.db2.gz ORIYLQJLFOXSJB-AEFFLSMTSA-N 1 0 317.477 3.379 10 0 DGAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](CCN3CCCCC3)C2)cc1 ZINC000151042520 432214928 /nfs/dbraw/zinc/21/49/28/432214928.db2.gz LTUPFTRSJDCGFG-AEFFLSMTSA-N 1 0 302.462 3.359 10 0 DGAERO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1CCCC1 ZINC000172220888 432203995 /nfs/dbraw/zinc/20/39/95/432203995.db2.gz RNGBTVCHESOKJU-PBHICJAKSA-N 1 0 303.450 3.167 10 0 DGAERO CCc1ccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000172247864 432204787 /nfs/dbraw/zinc/20/47/87/432204787.db2.gz LZGKACBNAOCPLZ-LJQANCHMSA-N 1 0 312.461 3.370 10 0 DGAERO CC[N@H+](CCc1nccs1)C[C@@H](O)CCc1ccccc1 ZINC000182566178 432205261 /nfs/dbraw/zinc/20/52/61/432205261.db2.gz XUHCOWLBFVBNRS-INIZCTEOSA-N 1 0 304.459 3.001 10 0 DGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000172633849 432225794 /nfs/dbraw/zinc/22/57/94/432225794.db2.gz ICBPJHXXBJQGIQ-HIFRSBDPSA-N 1 0 316.376 3.219 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2SC(C)C)C1 ZINC000172621514 432225937 /nfs/dbraw/zinc/22/59/37/432225937.db2.gz YWPSQLZQHFUMBA-AWEZNQCLSA-N 1 0 306.475 3.401 10 0 DGAERO Cc1ccccc1OCCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247372761 432226339 /nfs/dbraw/zinc/22/63/39/432226339.db2.gz KXZRQSWAITZNGQ-DLBZAZTESA-N 1 0 318.461 3.095 10 0 DGAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000247376538 432226563 /nfs/dbraw/zinc/22/65/63/432226563.db2.gz LDVQYUAMVPBDOL-SMDDNHRTSA-N 1 0 320.820 3.498 10 0 DGAERO Cc1cc(C)cc(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247406080 432227550 /nfs/dbraw/zinc/22/75/50/432227550.db2.gz MXVVRDGQIRJXCR-DLBZAZTESA-N 1 0 318.461 3.013 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191067108 432217223 /nfs/dbraw/zinc/21/72/23/432217223.db2.gz VEAYIKQHJBNRKH-RCCFBDPRSA-N 1 0 314.477 3.370 10 0 DGAERO CCCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247262773 432217287 /nfs/dbraw/zinc/21/72/87/432217287.db2.gz XSCFHHIXBJPWLL-ZBFHGGJFSA-N 1 0 317.433 3.176 10 0 DGAERO CCOc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000247273482 432218025 /nfs/dbraw/zinc/21/80/25/432218025.db2.gz YEORKHBJEMVRKG-IRXDYDNUSA-N 1 0 318.461 3.010 10 0 DGAERO CCCN(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247316451 432221270 /nfs/dbraw/zinc/22/12/70/432221270.db2.gz HUPSASAKHSNXCH-YJBOKZPZSA-N 1 0 317.477 3.088 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000247335345 432223378 /nfs/dbraw/zinc/22/33/78/432223378.db2.gz NETVQZCDGVGCHL-CZUORRHYSA-N 1 0 323.868 3.210 10 0 DGAERO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(Cl)c1 ZINC000247347811 432224662 /nfs/dbraw/zinc/22/46/62/432224662.db2.gz OSCKWPVGDGESSK-OLZOCXBDSA-N 1 0 307.825 3.349 10 0 DGAERO [NH3+]C1CCC(NC(=O)c2ccccc2COc2ccccc2)CC1 ZINC000131809089 196201359 /nfs/dbraw/zinc/20/13/59/196201359.db2.gz WYSRSUMEDNSMHS-UHFFFAOYSA-N 1 0 324.424 3.265 10 0 DGAERO Cc1cc(Cl)ncc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000132059563 196222774 /nfs/dbraw/zinc/22/27/74/196222774.db2.gz KGHGBWZWJGJXMP-UHFFFAOYSA-N 1 0 322.840 3.136 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@@H](C)c2ccccc2F)C1 ZINC000132164013 196231553 /nfs/dbraw/zinc/23/15/53/196231553.db2.gz ZORNYDJYRSALTC-KEYYUXOJSA-N 1 0 321.440 3.257 10 0 DGAERO COCCCOC1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000132387756 196252134 /nfs/dbraw/zinc/25/21/34/196252134.db2.gz WPAROURVLKJUDK-QGZVFWFLSA-N 1 0 305.462 3.383 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnc(Cl)cc2C)[C@H](C)C1 ZINC000132227425 196236742 /nfs/dbraw/zinc/23/67/42/196236742.db2.gz ILDGSINGZQGFFQ-TZMCWYRMSA-N 1 0 324.856 3.237 10 0 DGAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000132981169 196302336 /nfs/dbraw/zinc/30/23/36/196302336.db2.gz QOMZITAGAKIFFS-GJZGRUSLSA-N 1 0 317.454 3.437 10 0 DGAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000133002351 196303939 /nfs/dbraw/zinc/30/39/39/196303939.db2.gz XGRHRPNVXHWPDG-CHWSQXEVSA-N 1 0 300.402 3.267 10 0 DGAERO CSCCCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000134831592 196422261 /nfs/dbraw/zinc/42/22/61/196422261.db2.gz ZTRQLMGTTAQYMH-INIZCTEOSA-N 1 0 312.523 3.244 10 0 DGAERO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCCSC1 ZINC000135696461 196499236 /nfs/dbraw/zinc/49/92/36/196499236.db2.gz IYYLDAOZXOJGKC-OAHLLOKOSA-N 1 0 301.459 3.474 10 0 DGAERO c1cc2c(cc1C[NH2+][C@H]1CCOC3(CCCC3)C1)OCCO2 ZINC000136689681 196547913 /nfs/dbraw/zinc/54/79/13/196547913.db2.gz AQBZLXMMDLGTMQ-HNNXBMFYSA-N 1 0 303.402 3.039 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)ccc1F ZINC000152571033 227073148 /nfs/dbraw/zinc/07/31/48/227073148.db2.gz IWDGJFFUVQPSRS-WFASDCNBSA-N 1 0 306.381 3.381 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000291115295 222147272 /nfs/dbraw/zinc/14/72/72/222147272.db2.gz FQGJFSCZPVACGP-SFHVURJKSA-N 1 0 316.445 3.006 10 0 DGAERO c1nc2c(c(N3CCC[C@@H]([NH+]4CCCC4)CC3)n1)CCCCC2 ZINC000163245815 228261889 /nfs/dbraw/zinc/26/18/89/228261889.db2.gz ATDCQPUXDUJZNK-MRXNPFEDSA-N 1 0 314.477 3.200 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000178690168 228345310 /nfs/dbraw/zinc/34/53/10/228345310.db2.gz DYDNYFDPODOJRB-UHFFFAOYSA-N 1 0 323.868 3.260 10 0 DGAERO CSCCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130484861 292635321 /nfs/dbraw/zinc/63/53/21/292635321.db2.gz JHCAVELZPQSGPY-CQSZACIVSA-N 1 0 316.511 3.366 10 0 DGAERO Cc1csc2nc(C)nc(N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)c12 ZINC000302294683 230210984 /nfs/dbraw/zinc/21/09/84/230210984.db2.gz OGEQDKGHQIOXHN-GXFFZTMASA-N 1 0 304.463 3.449 10 0 DGAERO Cc1nsc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000302488982 230266885 /nfs/dbraw/zinc/26/68/85/230266885.db2.gz ZDCWNKRQCQDNAQ-MRXNPFEDSA-N 1 0 302.447 3.313 10 0 DGAERO C[C@@H](NC(=O)N1CCCC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182936106 263596336 /nfs/dbraw/zinc/59/63/36/263596336.db2.gz FXBNKGDWQKKZQB-CVEARBPZSA-N 1 0 321.509 3.471 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](O)CC2CCCC2)c1 ZINC000191237224 263750921 /nfs/dbraw/zinc/75/09/21/263750921.db2.gz FPEUBPLBFOZWRD-DZGCQCFKSA-N 1 0 307.434 3.296 10 0 DGAERO CN1C(=O)C[C@@H]([NH2+]CCOC(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000192156381 263771685 /nfs/dbraw/zinc/77/16/85/263771685.db2.gz VVRJRXXFDWTDJA-ZBFHGGJFSA-N 1 0 324.852 3.017 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC000192666025 263782624 /nfs/dbraw/zinc/78/26/24/263782624.db2.gz HIXSFGQFYHARQK-WMZOPIPTSA-N 1 0 324.509 3.020 10 0 DGAERO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194051308 263806235 /nfs/dbraw/zinc/80/62/35/263806235.db2.gz MGAUYYVBIWRJGR-SJLPKXTDSA-N 1 0 321.509 3.330 10 0 DGAERO COCCCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658570 263841082 /nfs/dbraw/zinc/84/10/82/263841082.db2.gz IHYYCFRUVFPMAS-HNNXBMFYSA-N 1 0 314.470 3.040 10 0 DGAERO CCOc1cccc2cc([C@H](C)NC(=O)[C@H]3CC[C@@H]([NH3+])C3)oc21 ZINC000236990355 263851846 /nfs/dbraw/zinc/85/18/46/263851846.db2.gz VXGYFZCHGULQGO-FPMFFAJLSA-N 1 0 316.401 3.136 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000324302299 263905123 /nfs/dbraw/zinc/90/51/23/263905123.db2.gz DDEUIMQEHYTREE-NSHDSACASA-N 1 0 322.193 3.224 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)c2)cn1 ZINC000346186547 263979857 /nfs/dbraw/zinc/97/98/57/263979857.db2.gz ZCFVDDPMYSVTIB-HUUCEWRRSA-N 1 0 317.458 3.182 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@H]3C3CCOCC3)c2)cn1 ZINC000346278813 264001481 /nfs/dbraw/zinc/00/14/81/264001481.db2.gz KXZHUKQPLXZOME-KRWDZBQOSA-N 1 0 317.458 3.325 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(C4Cc5ccccc5C4)n3)cc12 ZINC000347182659 264171427 /nfs/dbraw/zinc/17/14/27/264171427.db2.gz RYOAOKMHLCLGCQ-UHFFFAOYSA-N 1 0 302.337 3.267 10 0 DGAERO c1ccc(COC[C@H]2CC[N@@H+](CC[C@@H]3CCCCO3)C2)cc1 ZINC000347449685 264222906 /nfs/dbraw/zinc/22/29/06/264222906.db2.gz XNNLHKKQYSBNID-OALUTQOASA-N 1 0 303.446 3.484 10 0 DGAERO c1cc2c(cc1[C@H]([NH2+]CC[C@H]1CCCCO1)C1CC1)OCCO2 ZINC000347686614 264267419 /nfs/dbraw/zinc/26/74/19/264267419.db2.gz TUTIEOZYKVAMBN-VQIMIIECSA-N 1 0 317.429 3.458 10 0 DGAERO c1ccc(OC2CC2)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000347742946 264277220 /nfs/dbraw/zinc/27/72/20/264277220.db2.gz DTWGJRCEHJJEPM-KRWDZBQOSA-N 1 0 300.446 3.288 10 0 DGAERO Cc1c([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)cnn1C(C)C ZINC000191163625 432228830 /nfs/dbraw/zinc/22/88/30/432228830.db2.gz UMQOJAUHPQBMKG-CQSZACIVSA-N 1 0 324.432 3.204 10 0 DGAERO Cc1ccccc1C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247414649 432229231 /nfs/dbraw/zinc/22/92/31/432229231.db2.gz NNCNLAXWILTELS-JKSUJKDBSA-N 1 0 302.462 3.214 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)[C@H](C)CCc2cccc(F)c2)[C@@H](C)C1 ZINC000247440203 432230532 /nfs/dbraw/zinc/23/05/32/432230532.db2.gz RXXAMYBHDSKTDH-VKJFTORMSA-N 1 0 320.452 3.239 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)c1ccccc1 ZINC000247468147 432231541 /nfs/dbraw/zinc/23/15/41/432231541.db2.gz RKSVKHSDZGZQQB-WBVHZDCISA-N 1 0 300.446 3.049 10 0 DGAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247467873 432231780 /nfs/dbraw/zinc/23/17/80/432231780.db2.gz RQNXURHNARVOEW-VNHYZAJKSA-N 1 0 324.852 3.048 10 0 DGAERO c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)cc2)c1 ZINC000355224525 266005136 /nfs/dbraw/zinc/00/51/36/266005136.db2.gz QMPFPTOSKDTNKJ-MSOLQXFVSA-N 1 0 311.429 3.121 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccccc2C)[C@@H](C)C1 ZINC000247450768 432232758 /nfs/dbraw/zinc/23/27/58/432232758.db2.gz QEXDZJLZACEOLC-WMZOPIPTSA-N 1 0 302.462 3.116 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000191187536 432232814 /nfs/dbraw/zinc/23/28/14/432232814.db2.gz AHXPTMWAFLCHOH-QWRGUYRKSA-N 1 0 322.355 3.354 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000182828126 432232887 /nfs/dbraw/zinc/23/28/87/432232887.db2.gz DVENNQSRBIVSFG-GOSISDBHSA-N 1 0 301.409 3.428 10 0 DGAERO Cc1cc2ncn(C[C@H](O)C[N@@H+]3C[C@@H](C)CC[C@H]3C)c2cc1C ZINC000247474121 432233215 /nfs/dbraw/zinc/23/32/15/432233215.db2.gz JMWRFYFGEVNUHS-IAOVAPTHSA-N 1 0 315.461 3.134 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2SC)[C@@H](C)C1 ZINC000247473012 432234104 /nfs/dbraw/zinc/23/41/04/432234104.db2.gz SBFNBKSLXXUJBW-DZGCQCFKSA-N 1 0 306.475 3.211 10 0 DGAERO Cc1ccc(C)c(SCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247482682 432234546 /nfs/dbraw/zinc/23/45/46/432234546.db2.gz SVTCHRFOQKIWCQ-HOTGVXAUSA-N 1 0 320.502 3.337 10 0 DGAERO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247543996 432240386 /nfs/dbraw/zinc/24/03/86/432240386.db2.gz RIKPEWUYRPYTIK-SJORKVTESA-N 1 0 315.413 3.473 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000247549100 432240902 /nfs/dbraw/zinc/24/09/02/432240902.db2.gz YQHYWWJAFLNQGG-WMZOPIPTSA-N 1 0 302.462 3.035 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000247570194 432240970 /nfs/dbraw/zinc/24/09/70/432240970.db2.gz LIXIVBZPIXUZHD-VBQJREDUSA-N 1 0 317.433 3.094 10 0 DGAERO CC(C)Sc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000247556371 432241303 /nfs/dbraw/zinc/24/13/03/432241303.db2.gz ZRRSXQBPCZITGP-HOCLYGCPSA-N 1 0 318.486 3.496 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(C)c1 ZINC000247559877 432242110 /nfs/dbraw/zinc/24/21/10/432242110.db2.gz KVCIFPMUDKZKDW-CABCVRRESA-N 1 0 306.837 3.347 10 0 DGAERO CCc1ccc2c(C[NH+]3[C@H](C)CC(O)C[C@H]3C)cc(=O)oc2c1 ZINC000191282515 432244402 /nfs/dbraw/zinc/24/44/02/432244402.db2.gz YJZQHGCVLVVXAE-CHWSQXEVSA-N 1 0 315.413 3.089 10 0 DGAERO CC[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000183008578 432248127 /nfs/dbraw/zinc/24/81/27/432248127.db2.gz DKDBKASHUFPRBW-WMZOPIPTSA-N 1 0 316.445 3.426 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1c1cccs1 ZINC000046280776 270956089 /nfs/dbraw/zinc/95/60/89/270956089.db2.gz IDVVXPPRCAMQPZ-UONOGXRCSA-N 1 0 309.479 3.325 10 0 DGAERO CC[NH+](CC)CCCC1CCN(Cc2ncc(C)cn2)CC1 ZINC000359870507 271004771 /nfs/dbraw/zinc/00/47/71/271004771.db2.gz HWYRUUIDYITXMT-UHFFFAOYSA-N 1 0 304.482 3.119 10 0 DGAERO O=C1[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)CCN1c1ccccc1 ZINC000362522304 271041264 /nfs/dbraw/zinc/04/12/64/271041264.db2.gz BKKUWVOGXUEYSD-INIZCTEOSA-N 1 0 318.779 3.374 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC000367611095 271050102 /nfs/dbraw/zinc/05/01/02/271050102.db2.gz AATCUJUIPIAYFV-SFHVURJKSA-N 1 0 310.445 3.173 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(F)c(Br)c1 ZINC000367687980 271063971 /nfs/dbraw/zinc/06/39/71/271063971.db2.gz LTDUUEQNGJWGBF-HKWIRBFKSA-N 1 0 314.198 3.131 10 0 DGAERO Cc1ccnc(C)c1NC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000367883464 271092692 /nfs/dbraw/zinc/09/26/92/271092692.db2.gz HRHSUUGSJOCPEV-OAHLLOKOSA-N 1 0 313.405 3.191 10 0 DGAERO C/C(=C\C(=O)N1CCC2(CCC[N@H+]2C)CC1)c1cccc(F)c1 ZINC000368706159 271197112 /nfs/dbraw/zinc/19/71/12/271197112.db2.gz CMYZDDWEUJZIKB-FYWRMAATSA-N 1 0 316.420 3.316 10 0 DGAERO CC(=O)Oc1ccc(CN2CCCC[C@H]2c2ccnn2C)cc1 ZINC000370023075 271336646 /nfs/dbraw/zinc/33/66/46/271336646.db2.gz WFICUZPDSZCDPI-SFHVURJKSA-N 1 0 313.401 3.073 10 0 DGAERO Cc1ccncc1C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000370190902 271344502 /nfs/dbraw/zinc/34/45/02/271344502.db2.gz AZNSPAZHNBBOFP-OAHLLOKOSA-N 1 0 303.356 3.037 10 0 DGAERO CC(F)(F)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000370649286 271379299 /nfs/dbraw/zinc/37/92/99/271379299.db2.gz DBJHRNLQGZXOGV-AWEZNQCLSA-N 1 0 302.409 3.146 10 0 DGAERO C[C@H](O)CN1CC[N@@H+](C2c3ccccc3-c3ccccc32)C[C@H]1C ZINC000247805235 432251543 /nfs/dbraw/zinc/25/15/43/432251543.db2.gz SNAMQDCXMDAUQG-CVEARBPZSA-N 1 0 322.452 3.143 10 0 DGAERO COCc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000247915711 432254806 /nfs/dbraw/zinc/25/48/06/432254806.db2.gz BAXHSWPJQCKKIS-RTBURBONSA-N 1 0 324.424 3.008 10 0 DGAERO CC(C)([NH3+])CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178631972 273505719 /nfs/dbraw/zinc/50/57/19/273505719.db2.gz JRQABNAIVCYVAD-CQSZACIVSA-N 1 0 302.418 3.067 10 0 DGAERO CCC[C@H](C(=O)N[C@H]1CCSc2c(F)cccc21)[NH+](C)C ZINC000123500322 273620365 /nfs/dbraw/zinc/62/03/65/273620365.db2.gz SEYQTMAPLLLTFQ-UONOGXRCSA-N 1 0 310.438 3.209 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(OC)c1 ZINC000247988732 432257976 /nfs/dbraw/zinc/25/79/76/432257976.db2.gz IVCIFZPNPHPIJG-KBPBESRZSA-N 1 0 322.836 3.047 10 0 DGAERO COc1cc(C)nc(C[N@@H+]2CCc3cccc(OC)c3CC2)c1 ZINC000489542853 274092817 /nfs/dbraw/zinc/09/28/17/274092817.db2.gz FLOSJDDPOGLCQM-UHFFFAOYSA-N 1 0 312.413 3.008 10 0 DGAERO COc1ccc(F)cc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000187674073 274112969 /nfs/dbraw/zinc/11/29/69/274112969.db2.gz PCDBUCBTJGLHNG-ZDUSSCGKSA-N 1 0 323.412 3.220 10 0 DGAERO C[C@@H](C(=O)N1Cc2ccccc2C2(CC2)C1)[NH+]1CCCCCC1 ZINC000187294996 274196889 /nfs/dbraw/zinc/19/68/89/274196889.db2.gz DDSFEJULJCCJMC-INIZCTEOSA-N 1 0 312.457 3.325 10 0 DGAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncnc3sccc32)CC1 ZINC000154929656 274292828 /nfs/dbraw/zinc/29/28/28/274292828.db2.gz OJBVAEHSBODLPV-GFCCVEGCSA-N 1 0 302.447 3.144 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(CCSc3ccccc3F)CC[C@H]21 ZINC000247975764 432258951 /nfs/dbraw/zinc/25/89/51/432258951.db2.gz HUEMPQCEHJLWSJ-GDBMZVCRSA-N 1 0 308.466 3.334 10 0 DGAERO C[C@H]1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)[C@H]1C[NH3+] ZINC000252719490 274555188 /nfs/dbraw/zinc/55/51/88/274555188.db2.gz ICHAKGHSRSKVQN-HZMBPMFUSA-N 1 0 304.331 3.404 10 0 DGAERO CCc1cc(C)c(C(=O)NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000131364947 292652747 /nfs/dbraw/zinc/65/27/47/292652747.db2.gz KPCPZTMMJTXKCZ-UHFFFAOYSA-N 1 0 304.434 3.287 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000156643359 274830200 /nfs/dbraw/zinc/83/02/00/274830200.db2.gz XZJNODWPGZVOLI-OAHLLOKOSA-N 1 0 308.429 3.128 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1Cc3ccccc3[C@@H]1O)CCC2 ZINC000178360942 274849594 /nfs/dbraw/zinc/84/95/94/274849594.db2.gz WFMMGVGVVBJTFX-OAGGEKHMSA-N 1 0 300.427 3.077 10 0 DGAERO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CC(C)(C)c4ccccc43)C2)cn1 ZINC000178826586 274892723 /nfs/dbraw/zinc/89/27/23/274892723.db2.gz KIVTTXVVKXRHEK-HNAYVOBHSA-N 1 0 324.472 3.401 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1c1ccccc1 ZINC000247983244 432260009 /nfs/dbraw/zinc/26/00/09/432260009.db2.gz HWJAJBNUUQEWQB-RBUKOAKNSA-N 1 0 319.408 3.343 10 0 DGAERO [NH3+][C@@H]1CC[C@H]2CN(c3nc4cc(Cl)cc(Cl)c4o3)C[C@@H]12 ZINC000333926837 274959812 /nfs/dbraw/zinc/95/98/12/274959812.db2.gz VVIXOVSAYABSRC-JVUFJMBOSA-N 1 0 312.200 3.308 10 0 DGAERO OCCC1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000188049623 275045676 /nfs/dbraw/zinc/04/56/76/275045676.db2.gz JJMNWTZEYBRAPS-QGZVFWFLSA-N 1 0 301.430 3.141 10 0 DGAERO OCc1nc2ccccc2n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000095078385 275050741 /nfs/dbraw/zinc/05/07/41/275050741.db2.gz QBPFRDJXQYUQLC-UHFFFAOYSA-N 1 0 321.424 3.366 10 0 DGAERO c1ncc(CC[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)s1 ZINC000411555511 275076976 /nfs/dbraw/zinc/07/69/76/275076976.db2.gz HBXUNSQEGYDSHF-QGZVFWFLSA-N 1 0 300.427 3.207 10 0 DGAERO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccnc1 ZINC000268726211 275375232 /nfs/dbraw/zinc/37/52/32/275375232.db2.gz JZGHQDBAZHIALT-AWEZNQCLSA-N 1 0 319.202 3.458 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000119030612 275398321 /nfs/dbraw/zinc/39/83/21/275398321.db2.gz VWWIMHOFBDAAFO-CKDIWJPDSA-N 1 0 316.836 3.248 10 0 DGAERO CCC[C@@H](C(=O)NC[C@@H](c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000188640976 276021009 /nfs/dbraw/zinc/02/10/09/276021009.db2.gz LQNINIUYLWJLFH-KBPBESRZSA-N 1 0 316.367 3.179 10 0 DGAERO CCC[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000154988333 276021689 /nfs/dbraw/zinc/02/16/89/276021689.db2.gz XIYBYDKMYKJHLE-GJZGRUSLSA-N 1 0 304.434 3.135 10 0 DGAERO CC(C)[C@H]1C[N@H+](C)CCN1c1ncnc2cc(Cl)ccc21 ZINC000301365510 276032424 /nfs/dbraw/zinc/03/24/24/276032424.db2.gz NSFHCDYDAPRRMW-OAHLLOKOSA-N 1 0 304.825 3.060 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000250116531 276056825 /nfs/dbraw/zinc/05/68/25/276056825.db2.gz UNGCENFRIWVDLN-MGHWNKPDSA-N 1 0 300.446 3.028 10 0 DGAERO CCN(C(=O)CCSC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248272414 276060713 /nfs/dbraw/zinc/06/07/13/276060713.db2.gz WPIIVWMJNVIXGM-NVXWUHKLSA-N 1 0 320.502 3.424 10 0 DGAERO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCCC[C@@H]1C ZINC000444683293 276086292 /nfs/dbraw/zinc/08/62/92/276086292.db2.gz XSEZUCPUDYZPSR-ZFWWWQNUSA-N 1 0 318.417 3.254 10 0 DGAERO CC1(C)CCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000171096182 276105489 /nfs/dbraw/zinc/10/54/89/276105489.db2.gz IYVSFTYDEUDRLW-CQSZACIVSA-N 1 0 321.490 3.469 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000078810568 276117225 /nfs/dbraw/zinc/11/72/25/276117225.db2.gz APLQLAKRVHNSIH-CYBMUJFWSA-N 1 0 317.433 3.057 10 0 DGAERO CC1(C)CN(C(=O)c2cc3c(s2)CCCCC3)CC[C@H]1[NH3+] ZINC000261679461 276127994 /nfs/dbraw/zinc/12/79/94/276127994.db2.gz MFNQSZBKMKXPAH-OAHLLOKOSA-N 1 0 306.475 3.216 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)C1 ZINC000447583939 276259313 /nfs/dbraw/zinc/25/93/13/276259313.db2.gz DISKHSGUWCGAKB-BMGDILEWSA-N 1 0 315.461 3.264 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1cnn(C(C)(C)C)c1C ZINC000124160174 276267867 /nfs/dbraw/zinc/26/78/67/276267867.db2.gz QDHLTZNIWPBRPV-UHFFFAOYSA-N 1 0 314.433 3.308 10 0 DGAERO CCOC(=O)[C@]1(C)CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000154901295 276296053 /nfs/dbraw/zinc/29/60/53/276296053.db2.gz AQLXYUJNELVWMF-QGZVFWFLSA-N 1 0 302.349 3.153 10 0 DGAERO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccsc3)C2)ncn1 ZINC000246513748 276662095 /nfs/dbraw/zinc/66/20/95/276662095.db2.gz UGCDVOKEVIHZQV-CZUORRHYSA-N 1 0 316.474 3.420 10 0 DGAERO c1cc2c(nc(C3CC3)nc2NC2CC[NH+](C3CCC3)CC2)[nH]1 ZINC000631293321 429983394 /nfs/dbraw/zinc/98/33/94/429983394.db2.gz DTNCLMZJPJPIKE-UHFFFAOYSA-N 1 0 311.433 3.264 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000183535798 276891680 /nfs/dbraw/zinc/89/16/80/276891680.db2.gz SXEUXGFGBNKCEY-OAHLLOKOSA-N 1 0 315.804 3.218 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCCc2sccc21 ZINC000185944252 276891801 /nfs/dbraw/zinc/89/18/01/276891801.db2.gz GZGOOHRCSFKOER-ZDUSSCGKSA-N 1 0 301.415 3.017 10 0 DGAERO CN1CC[C@H]([NH2+]C[C@H]2CCC=CO2)[C@@H]1c1ccc(Cl)cc1 ZINC000248878367 276965654 /nfs/dbraw/zinc/96/56/54/276965654.db2.gz KAJGUBRXFRLCDA-IKGGRYGDSA-N 1 0 306.837 3.368 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCCCC3)CC[C@H]21 ZINC000248177198 277067457 /nfs/dbraw/zinc/06/74/57/277067457.db2.gz VTPKZOICYWRZPT-XMTFNYHQSA-N 1 0 304.478 3.146 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@@H]2CCCc3ccccc32)CCOCC1 ZINC000453081730 277472213 /nfs/dbraw/zinc/47/22/13/277472213.db2.gz UQJKXGJDCZUHSY-WBVHZDCISA-N 1 0 303.446 3.280 10 0 DGAERO CC(C)[C@H](C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000047684832 277882823 /nfs/dbraw/zinc/88/28/23/277882823.db2.gz OIPJTZRKQYRXCX-RDJZCZTQSA-N 1 0 303.450 3.167 10 0 DGAERO CC(C)c1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000261902673 278041604 /nfs/dbraw/zinc/04/16/04/278041604.db2.gz PEFMLYNASUHPIV-JTDSTZFVSA-N 1 0 316.445 3.281 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCN1CCCCC1 ZINC000077173254 278051095 /nfs/dbraw/zinc/05/10/95/278051095.db2.gz RZLLAMKRJLTKGK-SFHVURJKSA-N 1 0 302.462 3.188 10 0 DGAERO CC(C)c1scnc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333365773 278118052 /nfs/dbraw/zinc/11/80/52/278118052.db2.gz UGJWFVLQAIOJJI-STQMWFEESA-N 1 0 322.478 3.120 10 0 DGAERO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)C1CCCCC1 ZINC000191036450 278234402 /nfs/dbraw/zinc/23/44/02/278234402.db2.gz MOOANBWDGJOUPC-LPHOPBHVSA-N 1 0 305.462 3.201 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccccc1Oc1ccccc1 ZINC000450671167 278239390 /nfs/dbraw/zinc/23/93/90/278239390.db2.gz YFCPIAUOPFMDCN-AUUYWEPGSA-N 1 0 313.397 3.470 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CCCCC1 ZINC000309863153 278241439 /nfs/dbraw/zinc/24/14/39/278241439.db2.gz DVCUXOLWIOMCIW-HNNXBMFYSA-N 1 0 303.450 3.139 10 0 DGAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(Cl)cn1 ZINC000185704488 278255281 /nfs/dbraw/zinc/25/52/81/278255281.db2.gz PTFSUEYVCHMIOB-LBPRGKRZSA-N 1 0 310.829 3.121 10 0 DGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(F)cc1N(C)C ZINC000178361213 278285336 /nfs/dbraw/zinc/28/53/36/278285336.db2.gz CFHSVOVUHONWQW-KHDYIWLOSA-N 1 0 314.404 3.201 10 0 DGAERO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000248639872 278315087 /nfs/dbraw/zinc/31/50/87/278315087.db2.gz XUIYZJMDDQLRFK-RPVQJOFSSA-N 1 0 315.392 3.265 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)C1CCCC1 ZINC000172194727 278325711 /nfs/dbraw/zinc/32/57/11/278325711.db2.gz ZRUDAFUNXGZBHT-OCCSQVGLSA-N 1 0 309.479 3.229 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)N1CCc2ccccc2C1 ZINC000172870558 278379303 /nfs/dbraw/zinc/37/93/03/278379303.db2.gz AKLRROZKZUFGMW-ZIAGYGMSSA-N 1 0 314.454 3.372 10 0 DGAERO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000249649792 278471302 /nfs/dbraw/zinc/47/13/02/278471302.db2.gz UQJADICRKRZBHG-XYPHTWIQSA-N 1 0 304.409 3.095 10 0 DGAERO C[C@@H]1CCCN(Cc2ccc(Br)c(F)c2)[C@H]1C[NH3+] ZINC000252172050 278483660 /nfs/dbraw/zinc/48/36/60/278483660.db2.gz ODQFSPUHBFEDIJ-YGRLFVJLSA-N 1 0 315.230 3.147 10 0 DGAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000452722536 278578461 /nfs/dbraw/zinc/57/84/61/278578461.db2.gz KIHCILUIAXEREO-VXGBXAGGSA-N 1 0 324.827 3.237 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nnc(C(C)C)n3C1)CC2 ZINC000180533515 278885154 /nfs/dbraw/zinc/88/51/54/278885154.db2.gz FVDHEDOTSPZHHU-WBVHZDCISA-N 1 0 310.445 3.302 10 0 DGAERO Cc1cncc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000248913346 279024434 /nfs/dbraw/zinc/02/44/34/279024434.db2.gz JKTUPWWGPJPRHW-MSOLQXFVSA-N 1 0 301.478 3.476 10 0 DGAERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCc1nc2ccccc2n1C ZINC000470939368 279078084 /nfs/dbraw/zinc/07/80/84/279078084.db2.gz DXFLTUGJVPVXLM-NEPJUHHUSA-N 1 0 311.351 3.389 10 0 DGAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000472090046 279093358 /nfs/dbraw/zinc/09/33/58/279093358.db2.gz XWUOAGIVNHEGPD-AWEZNQCLSA-N 1 0 319.440 3.328 10 0 DGAERO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185592299 279102149 /nfs/dbraw/zinc/10/21/49/279102149.db2.gz OTULKKJESLHDSN-ZOBUZTSGSA-N 1 0 318.461 3.034 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CCCc2sccc21 ZINC000163304386 279144327 /nfs/dbraw/zinc/14/43/27/279144327.db2.gz XYWZPLAMDILUAQ-JSGCOSHPSA-N 1 0 309.479 3.155 10 0 DGAERO Cc1nccnc1[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000188103144 279175485 /nfs/dbraw/zinc/17/54/85/279175485.db2.gz YTEZYZVOLNXQOA-HNNXBMFYSA-N 1 0 302.466 3.233 10 0 DGAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135889 431163902 /nfs/dbraw/zinc/16/39/02/431163902.db2.gz PZNLYOUZYLGWFO-WMLDXEAASA-N 1 0 309.475 3.113 10 0 DGAERO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000109124710 431171200 /nfs/dbraw/zinc/17/12/00/431171200.db2.gz GFRWMZGCVCCFFY-HUUCEWRRSA-N 1 0 322.399 3.059 10 0 DGAERO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC(C)(C)O ZINC000069251889 431171799 /nfs/dbraw/zinc/17/17/99/431171799.db2.gz RNPNZWJEKZOPBQ-UHFFFAOYSA-N 1 0 315.461 3.492 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(N(C)C(C)C)c2)C1 ZINC000069372665 431180881 /nfs/dbraw/zinc/18/08/81/431180881.db2.gz ZZGISYXXKOJNQX-INIZCTEOSA-N 1 0 318.465 3.137 10 0 DGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C(C)C)cc1 ZINC000110084420 431181613 /nfs/dbraw/zinc/18/16/13/431181613.db2.gz FEFUOXYHCOUNCM-QGZVFWFLSA-N 1 0 319.449 3.042 10 0 DGAERO Cc1cc2oc(=O)cc(C[NH+]3CCC([C@@H](C)O)CC3)c2cc1C ZINC000111287628 431210616 /nfs/dbraw/zinc/21/06/16/431210616.db2.gz ZQKKPQXLEKEIQI-CQSZACIVSA-N 1 0 315.413 3.003 10 0 DGAERO Cn1cc(CC[NH2+]Cc2ccccc2OCc2ccccc2)cn1 ZINC000069786562 431223084 /nfs/dbraw/zinc/22/30/84/431223084.db2.gz ABBZUGQIWNHALV-UHFFFAOYSA-N 1 0 321.424 3.331 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000111633259 431227845 /nfs/dbraw/zinc/22/78/45/431227845.db2.gz XZYBKGWOUJFZDE-ICSRJNTNSA-N 1 0 322.452 3.006 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000282312220 279532941 /nfs/dbraw/zinc/53/29/41/279532941.db2.gz KNCLAUXEKOOXMY-RWEMILLDSA-N 1 0 301.217 3.311 10 0 DGAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1cccc(Br)c1 ZINC000070086788 431240149 /nfs/dbraw/zinc/24/01/49/431240149.db2.gz REWKIJCNBSWYTG-JTQLQIEISA-N 1 0 313.239 3.144 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)C1CCCC1 ZINC000070306521 431247923 /nfs/dbraw/zinc/24/79/23/431247923.db2.gz UBPLWHVFHQSCTQ-SUMWQHHRSA-N 1 0 311.853 3.386 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)CC2 ZINC000112550584 431282492 /nfs/dbraw/zinc/28/24/92/431282492.db2.gz PVPKLWDZRQLJOJ-PWSUYJOCSA-N 1 0 322.815 3.299 10 0 DGAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000112552207 431282556 /nfs/dbraw/zinc/28/25/56/431282556.db2.gz AGJUUFFWBKZMCV-GFCCVEGCSA-N 1 0 313.323 3.441 10 0 DGAERO COCC1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000112355625 431271505 /nfs/dbraw/zinc/27/15/05/431271505.db2.gz IOEQZAXRJLWIAE-UHFFFAOYSA-N 1 0 316.401 3.209 10 0 DGAERO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000112989870 431324716 /nfs/dbraw/zinc/32/47/16/431324716.db2.gz DPQGCABTCJYTPX-OAHLLOKOSA-N 1 0 304.434 3.107 10 0 DGAERO C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1F ZINC000113231317 431336062 /nfs/dbraw/zinc/33/60/62/431336062.db2.gz GMTSXMFLZUSVJH-RBSFLKMASA-N 1 0 304.409 3.014 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1Cl ZINC000113233602 431336571 /nfs/dbraw/zinc/33/65/71/431336571.db2.gz XSYQCCPVZFEHCN-CMPLNLGQSA-N 1 0 313.228 3.302 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000113228912 431336820 /nfs/dbraw/zinc/33/68/20/431336820.db2.gz ORWKUGPDIJODHD-XJKSGUPXSA-N 1 0 318.848 3.067 10 0 DGAERO Cc1nnc(C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)n1C1CC1 ZINC000113263877 431338350 /nfs/dbraw/zinc/33/83/50/431338350.db2.gz XGQWEGRLNBELRE-GOSISDBHSA-N 1 0 310.445 3.437 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2ccco2)n1 ZINC000113518460 431352100 /nfs/dbraw/zinc/35/21/00/431352100.db2.gz HVAGRYPWIIICIY-GXTWGEPZSA-N 1 0 303.431 3.072 10 0 DGAERO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N(C)c1nc2ccccc2s1 ZINC000072897183 431355401 /nfs/dbraw/zinc/35/54/01/431355401.db2.gz INCVGQVARCEOJQ-QWHCGFSZSA-N 1 0 317.458 3.380 10 0 DGAERO C[C@H]1CCN(c2ncc(Br)cc2Cl)[C@@H](C[NH3+])C1 ZINC000235624103 279730759 /nfs/dbraw/zinc/73/07/59/279730759.db2.gz UZQFKQACTWVMOO-WCBMZHEXSA-N 1 0 318.646 3.061 10 0 DGAERO Cc1cccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000008031171 431377168 /nfs/dbraw/zinc/37/71/68/431377168.db2.gz YXMWKDMYERTCPN-OAHLLOKOSA-N 1 0 309.818 3.122 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000114475028 431391583 /nfs/dbraw/zinc/39/15/83/431391583.db2.gz DEJOVAQKHDWWCC-RHSMWYFYSA-N 1 0 318.461 3.383 10 0 DGAERO COc1ccccc1OCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483067 431393022 /nfs/dbraw/zinc/39/30/22/431393022.db2.gz KBEDLTMSSFNJQQ-HNNXBMFYSA-N 1 0 301.390 3.024 10 0 DGAERO O=C1[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CCCN1c1ccccc1 ZINC000114511033 431394959 /nfs/dbraw/zinc/39/49/59/431394959.db2.gz MEMDKLWWWQUPFU-IBGZPJMESA-N 1 0 319.408 3.453 10 0 DGAERO C[N@H+](C/C=C/c1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000114719388 431407583 /nfs/dbraw/zinc/40/75/83/431407583.db2.gz LVSJYPQQHSHOMR-WGLAMXGCSA-N 1 0 308.429 3.091 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074832420 431441458 /nfs/dbraw/zinc/44/14/58/431441458.db2.gz XVUTXXNVTQAXKI-SJLPKXTDSA-N 1 0 317.477 3.337 10 0 DGAERO CCOc1c(F)cccc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000074952794 431445564 /nfs/dbraw/zinc/44/55/64/431445564.db2.gz HEGIINQKFCGFIO-HNNXBMFYSA-N 1 0 324.440 3.321 10 0 DGAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Cl ZINC000011754619 431479596 /nfs/dbraw/zinc/47/95/96/431479596.db2.gz OPHUJBWGQKKHLY-AWEZNQCLSA-N 1 0 313.788 3.330 10 0 DGAERO CCc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000011754610 431482252 /nfs/dbraw/zinc/48/22/52/431482252.db2.gz KFFBFJFFOUMENA-KRWDZBQOSA-N 1 0 307.397 3.239 10 0 DGAERO COCC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)CC(C)C ZINC000075637716 431489339 /nfs/dbraw/zinc/48/93/39/431489339.db2.gz IFQCKERQVSZQEB-UHFFFAOYSA-N 1 0 305.397 3.116 10 0 DGAERO C[C@H](O)C1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000075722173 431496444 /nfs/dbraw/zinc/49/64/44/431496444.db2.gz VVVABKBNLJLUFU-LBPRGKRZSA-N 1 0 317.351 3.221 10 0 DGAERO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075751960 431497322 /nfs/dbraw/zinc/49/73/22/431497322.db2.gz XHFKZZFWLRJQOM-QZTJIDSGSA-N 1 0 317.408 3.137 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC000075862143 431502766 /nfs/dbraw/zinc/50/27/66/431502766.db2.gz XVPMUMWYAXEPMJ-CYBMUJFWSA-N 1 0 308.388 3.155 10 0 DGAERO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116295977 431504352 /nfs/dbraw/zinc/50/43/52/431504352.db2.gz VCRBRILXXWQEAF-HZPDHXFCSA-N 1 0 301.386 3.165 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](CCCOc3cccc(Cl)c3)C2)cn1 ZINC000116317064 431505515 /nfs/dbraw/zinc/50/55/15/431505515.db2.gz IZYCDURLMYXILQ-CQSZACIVSA-N 1 0 319.836 3.332 10 0 DGAERO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@H](O)COC(C)(C)C)cc1 ZINC000116410850 431510350 /nfs/dbraw/zinc/51/03/50/431510350.db2.gz UBNYIRUMPGLAGE-DLBZAZTESA-N 1 0 323.502 3.261 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000075982236 431511983 /nfs/dbraw/zinc/51/19/83/431511983.db2.gz XGRHHQXRINPLLH-LRDDRELGSA-N 1 0 321.852 3.012 10 0 DGAERO O=C1Cc2ccccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000013472058 431557186 /nfs/dbraw/zinc/55/71/86/431557186.db2.gz GIBIHHYTFHYKOW-UHFFFAOYSA-N 1 0 307.393 3.277 10 0 DGAERO CCOCCN1CC[N@H+](C[C@@H](C)c2ccccc2)C[C@H]1CC ZINC000116878823 431536252 /nfs/dbraw/zinc/53/62/52/431536252.db2.gz PHCJFLUINSMJJG-IEBWSBKVSA-N 1 0 304.478 3.223 10 0 DGAERO CCCn1cc(C[NH2+]CCCOc2cccc3cccnc32)cn1 ZINC000116917637 431537845 /nfs/dbraw/zinc/53/78/45/431537845.db2.gz OBOYSDKDZKDDMA-UHFFFAOYSA-N 1 0 324.428 3.400 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000076393378 431545372 /nfs/dbraw/zinc/54/53/72/431545372.db2.gz UKTRTIXXWQUIOR-YJLNNSPDSA-N 1 0 324.424 3.100 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3cccc(C(N)=O)c3)C2)cc1 ZINC000076393956 431547893 /nfs/dbraw/zinc/54/78/93/431547893.db2.gz PHMGETDWELQVEM-KBXCAEBGSA-N 1 0 324.424 3.172 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000076486194 431552547 /nfs/dbraw/zinc/55/25/47/431552547.db2.gz VIORGONASKKPIU-DOMZBBRYSA-N 1 0 324.852 3.151 10 0 DGAERO CCCc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000076488200 431552966 /nfs/dbraw/zinc/55/29/66/431552966.db2.gz UUQQJMUFIJZQHK-YJBOKZPZSA-N 1 0 302.462 3.441 10 0 DGAERO CCOc1ccc(C[NH2+]CCc2ccccc2OC)cc1OC ZINC000013718989 431566461 /nfs/dbraw/zinc/56/64/61/431566461.db2.gz RGQVYRGPVTYTFE-UHFFFAOYSA-N 1 0 315.413 3.435 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000076985991 431566757 /nfs/dbraw/zinc/56/67/57/431566757.db2.gz SRPOLMXLGMKHNF-MOPGFXCFSA-N 1 0 314.473 3.372 10 0 DGAERO O=C1NCC[C@@H]1[NH2+][C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000178992469 280290837 /nfs/dbraw/zinc/29/08/37/280290837.db2.gz MEQSQTGWVPJDNV-DLBZAZTESA-N 1 0 320.864 3.310 10 0 DGAERO Cc1nc2ccccn2c1C[NH+]1CCC([C@H](O)CC(C)C)CC1 ZINC000077470650 431596530 /nfs/dbraw/zinc/59/65/30/431596530.db2.gz ULENMKNMOJOTIO-GOSISDBHSA-N 1 0 315.461 3.262 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000077455996 431598222 /nfs/dbraw/zinc/59/82/22/431598222.db2.gz CXMFZKZEUQQKDI-SFHVURJKSA-N 1 0 301.434 3.149 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)N1CCCC1(C)C)c1ccc(F)cc1 ZINC000077518260 431604526 /nfs/dbraw/zinc/60/45/26/431604526.db2.gz LCMBFQJENMJORX-OAHLLOKOSA-N 1 0 307.413 3.012 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CC=C(c3cccs3)CC2)C1 ZINC000118064464 431587073 /nfs/dbraw/zinc/58/70/73/431587073.db2.gz WXUOLUQTOLMMHY-OAHLLOKOSA-N 1 0 319.474 3.031 10 0 DGAERO Cc1ccc(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)cc1Cl ZINC000077356710 431587507 /nfs/dbraw/zinc/58/75/07/431587507.db2.gz APWOUBXIURKEFN-UHFFFAOYSA-N 1 0 324.852 3.476 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCCC2(C)C)cc1 ZINC000077382913 431590399 /nfs/dbraw/zinc/59/03/99/431590399.db2.gz PFGPJGDFONDXFX-KRWDZBQOSA-N 1 0 316.445 3.233 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC(C)(C)c1cccc(F)c1 ZINC000077552874 431607473 /nfs/dbraw/zinc/60/74/73/431607473.db2.gz LZXYYRBVVREPEF-ZDUSSCGKSA-N 1 0 309.429 3.090 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000118816301 431620894 /nfs/dbraw/zinc/62/08/94/431620894.db2.gz NBYSEIJGHMURMY-GJZGRUSLSA-N 1 0 319.449 3.200 10 0 DGAERO CN1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)cs2)CCC1=O ZINC000077899892 431628645 /nfs/dbraw/zinc/62/86/45/431628645.db2.gz KBOJHIZHYSFYQM-HNNXBMFYSA-N 1 0 300.427 3.126 10 0 DGAERO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000119070217 431641455 /nfs/dbraw/zinc/64/14/55/431641455.db2.gz WEBIEBPPMKHLND-HNNXBMFYSA-N 1 0 304.365 3.216 10 0 DGAERO CC(C)[N@H+](Cc1nc(-c2ccccc2)no1)C1CCOCC1 ZINC000119681002 431713250 /nfs/dbraw/zinc/71/32/50/431713250.db2.gz XLKDFOQGBYUOJR-UHFFFAOYSA-N 1 0 301.390 3.126 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000119446741 431692524 /nfs/dbraw/zinc/69/25/24/431692524.db2.gz SEOIWAVAIPUGQA-LBPRGKRZSA-N 1 0 313.357 3.098 10 0 DGAERO C[C@@H](C[N@@H+]1CCCC2(C1)CCCCCC2)CS(C)(=O)=O ZINC000119473519 431694416 /nfs/dbraw/zinc/69/44/16/431694416.db2.gz OWZQVKOJMBDAEZ-HNNXBMFYSA-N 1 0 301.496 3.104 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C)cc1F ZINC000078691190 431697313 /nfs/dbraw/zinc/69/73/13/431697313.db2.gz QGJQKBHADVTGPI-CHWSQXEVSA-N 1 0 310.413 3.036 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C)cc1F ZINC000078691188 431697514 /nfs/dbraw/zinc/69/75/14/431697514.db2.gz QGJQKBHADVTGPI-STQMWFEESA-N 1 0 310.413 3.036 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCOCCC(C)C)cc1NC(C)=O ZINC000119551325 431706060 /nfs/dbraw/zinc/70/60/60/431706060.db2.gz RVIXQSTXKTZAAA-AWEZNQCLSA-N 1 0 322.449 3.367 10 0 DGAERO COc1cccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000121088077 431743489 /nfs/dbraw/zinc/74/34/89/431743489.db2.gz UONJDAPNMHSLFC-RDTXWAMCSA-N 1 0 319.351 3.281 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)o1 ZINC000030902570 431748591 /nfs/dbraw/zinc/74/85/91/431748591.db2.gz ZCIPLASDMUCRJE-CJNGLKHVSA-N 1 0 308.385 3.274 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000121189551 431750594 /nfs/dbraw/zinc/75/05/94/431750594.db2.gz QSUUHTRQNSOWJU-SLTAFYQDSA-N 1 0 323.506 3.091 10 0 DGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000079306330 431720104 /nfs/dbraw/zinc/72/01/04/431720104.db2.gz KPZJGKQNMDVBII-CHWSQXEVSA-N 1 0 322.449 3.048 10 0 DGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000079306308 431720755 /nfs/dbraw/zinc/72/07/55/431720755.db2.gz QGDAKZVZGYLFRE-KGLIPLIRSA-N 1 0 322.449 3.049 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000121508527 431794403 /nfs/dbraw/zinc/79/44/03/431794403.db2.gz VHOQMRBLBFIIGB-CYBMUJFWSA-N 1 0 316.376 3.157 10 0 DGAERO CCCC1CCC([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000121519475 431799113 /nfs/dbraw/zinc/79/91/13/431799113.db2.gz FQAODUWNQUJYCN-HLIUYOAVSA-N 1 0 324.490 3.344 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000121532525 431800292 /nfs/dbraw/zinc/80/02/92/431800292.db2.gz MHJARSRPLFPCRR-UKRRQHHQSA-N 1 0 322.424 3.276 10 0 DGAERO C[NH+](C)Cc1cccc(CNC(=O)c2cccc3ncccc32)c1 ZINC000033089303 431805979 /nfs/dbraw/zinc/80/59/79/431805979.db2.gz BRGHJGSCUXKFSF-UHFFFAOYSA-N 1 0 319.408 3.226 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000122153548 431816777 /nfs/dbraw/zinc/81/67/77/431816777.db2.gz HECKKOUWGZKBKN-VBQJREDUSA-N 1 0 319.449 3.244 10 0 DGAERO O[C@@]1(C(F)(F)F)CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000081085134 431781263 /nfs/dbraw/zinc/78/12/63/431781263.db2.gz NBNVIJOWMJRUPU-ZDUSSCGKSA-N 1 0 323.742 3.108 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000085581782 431840757 /nfs/dbraw/zinc/84/07/57/431840757.db2.gz CXNGALMPTGBVOX-OAHLLOKOSA-N 1 0 321.465 3.446 10 0 DGAERO Cc1ccc(CC[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000123736585 431873076 /nfs/dbraw/zinc/87/30/76/431873076.db2.gz NDFKZWVFSRFDGW-UHFFFAOYSA-N 1 0 320.440 3.460 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000085972605 431842237 /nfs/dbraw/zinc/84/22/37/431842237.db2.gz NBUDKCFVWGGUAM-QMTHXVAHSA-N 1 0 316.214 3.229 10 0 DGAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000036959733 431842441 /nfs/dbraw/zinc/84/24/41/431842441.db2.gz OXZQJSMHOJOTEY-WDEREUQCSA-N 1 0 313.239 3.014 10 0 DGAERO O=C(Nc1ccccc1SCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000037020317 431843286 /nfs/dbraw/zinc/84/32/86/431843286.db2.gz DSNUYVIVLYPEOL-JTQLQIEISA-N 1 0 318.364 3.279 10 0 DGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037126367 431844316 /nfs/dbraw/zinc/84/43/16/431844316.db2.gz BBDFCJPEVFRRCY-QWRGUYRKSA-N 1 0 300.805 3.387 10 0 DGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000037126369 431844336 /nfs/dbraw/zinc/84/43/36/431844336.db2.gz BBDFCJPEVFRRCY-MNOVXSKESA-N 1 0 300.805 3.387 10 0 DGAERO Clc1ccc(-c2noc(CC[NH2+]Cc3cc[nH]c3)n2)cc1 ZINC000086253429 431844669 /nfs/dbraw/zinc/84/46/69/431844669.db2.gz VEKUMLURTPKWHF-UHFFFAOYSA-N 1 0 302.765 3.050 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C)cn12 ZINC000122827307 431845369 /nfs/dbraw/zinc/84/53/69/431845369.db2.gz NYPXRRVCJJICIQ-QGZVFWFLSA-N 1 0 323.444 3.330 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(COC)cc2)C1 ZINC000122875528 431847360 /nfs/dbraw/zinc/84/73/60/431847360.db2.gz ODMUAYZQTOOGTA-GOSISDBHSA-N 1 0 313.445 3.429 10 0 DGAERO CC[C@@](C)(O)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000087013377 431848244 /nfs/dbraw/zinc/84/82/44/431848244.db2.gz DMBAVNUNWCGLMV-MLGOLLRUSA-N 1 0 301.377 3.360 10 0 DGAERO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1ccc(Cl)cc1Cl ZINC000037616087 431848609 /nfs/dbraw/zinc/84/86/09/431848609.db2.gz QILUYMGEGJYZAR-SECBINFHSA-N 1 0 301.217 3.442 10 0 DGAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000037618452 431849056 /nfs/dbraw/zinc/84/90/56/431849056.db2.gz MGXCQIUYTHZEGC-NSHDSACASA-N 1 0 313.239 3.014 10 0 DGAERO CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037799089 431850899 /nfs/dbraw/zinc/85/08/99/431850899.db2.gz QALPAMRLFKERFB-KBMXLJTQSA-N 1 0 306.837 3.219 10 0 DGAERO O=C(c1ccc(F)cc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916897 431851167 /nfs/dbraw/zinc/85/11/67/431851167.db2.gz FOJBVZKTZGFBCN-XHDPSFHLSA-N 1 0 310.800 3.083 10 0 DGAERO COc1ccc(Cl)cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917701 431851333 /nfs/dbraw/zinc/85/13/33/431851333.db2.gz FYSGEGGJUPKGDQ-CJNGLKHVSA-N 1 0 308.853 3.313 10 0 DGAERO Brc1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916205 431851655 /nfs/dbraw/zinc/85/16/55/431851655.db2.gz WBHQONHIBCSBPY-ZBFHGGJFSA-N 1 0 323.278 3.413 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000089640633 431873454 /nfs/dbraw/zinc/87/34/54/431873454.db2.gz MNPPPBPNHGLKRX-DYVFJYSZSA-N 1 0 314.454 3.391 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2csc(Br)c2)CC[N@@H+]1C ZINC000123101039 431854676 /nfs/dbraw/zinc/85/46/76/431854676.db2.gz PXWHKYYEGJVGDH-CMPLNLGQSA-N 1 0 317.296 3.425 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2csc(Br)c2)CC[N@@H+]1C ZINC000123101247 431854841 /nfs/dbraw/zinc/85/48/41/431854841.db2.gz PXWHKYYEGJVGDH-PWSUYJOCSA-N 1 0 317.296 3.425 10 0 DGAERO O=C(C[C@H]1CCCCO1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000088287341 431857369 /nfs/dbraw/zinc/85/73/69/431857369.db2.gz YNVUPQCZAMCUOK-QGZVFWFLSA-N 1 0 302.418 3.180 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123173821 431857581 /nfs/dbraw/zinc/85/75/81/431857581.db2.gz CDPXLWOYTYVJCG-JSGCOSHPSA-N 1 0 324.852 3.026 10 0 DGAERO Fc1ccc2c(c1)[nH]cc2C1CC[NH+](Cc2cncnc2)CC1 ZINC000123192435 431858500 /nfs/dbraw/zinc/85/85/00/431858500.db2.gz OWQHTBAERQWBPK-UHFFFAOYSA-N 1 0 310.376 3.477 10 0 DGAERO Cc1cccc(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000123322104 431861366 /nfs/dbraw/zinc/86/13/66/431861366.db2.gz XVLKRCPKQILEJH-WBVHZDCISA-N 1 0 318.461 3.013 10 0 DGAERO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1SC ZINC000123408179 431864245 /nfs/dbraw/zinc/86/42/45/431864245.db2.gz QGNMXGKKNVINDN-ZFWWWQNUSA-N 1 0 308.491 3.332 10 0 DGAERO C[C@H](CNC(=O)CCCc1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000123437075 431864520 /nfs/dbraw/zinc/86/45/20/431864520.db2.gz RNSMGNOFZLNSGP-CQSZACIVSA-N 1 0 324.415 3.136 10 0 DGAERO Cc1noc(CC[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)n1 ZINC000089518282 431868723 /nfs/dbraw/zinc/86/87/23/431868723.db2.gz FVFPDNQPATYXGI-OAHLLOKOSA-N 1 0 301.390 3.041 10 0 DGAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC1CCCCC1 ZINC000043466466 431868748 /nfs/dbraw/zinc/86/87/48/431868748.db2.gz LKBCHXLSHDHIST-MRXNPFEDSA-N 1 0 319.449 3.439 10 0 DGAERO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1cccnc1Cl ZINC000089641091 431873893 /nfs/dbraw/zinc/87/38/93/431873893.db2.gz NPVVZMAGNONIOA-NSHDSACASA-N 1 0 323.849 3.267 10 0 DGAERO C[NH2+]C[C@H]1CCCN1CCOc1c(Cl)cccc1Cl ZINC000123591277 431869112 /nfs/dbraw/zinc/86/91/12/431869112.db2.gz SGSPUAIUHDEXIS-LLVKDONJSA-N 1 0 303.233 3.056 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(Br)s2)n1 ZINC000089517673 431869142 /nfs/dbraw/zinc/86/91/42/431869142.db2.gz OXYGTLANLGUXNO-ZETCQYMHSA-N 1 0 316.224 3.095 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)c(F)cc2Cl)CC[N@@H+]1C ZINC000123705773 431872288 /nfs/dbraw/zinc/87/22/88/431872288.db2.gz JQIDWCQLDIJQOO-ZJUUUORDSA-N 1 0 316.779 3.173 10 0 DGAERO CC[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1nccs1 ZINC000122376015 431829689 /nfs/dbraw/zinc/82/96/89/431829689.db2.gz UNGPOLHXBYRRTE-LBPRGKRZSA-N 1 0 324.494 3.203 10 0 DGAERO C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccc2ccccc2c1 ZINC000084600714 431830745 /nfs/dbraw/zinc/83/07/45/431830745.db2.gz DXJRJFFFJFKMHP-OAHLLOKOSA-N 1 0 310.441 3.496 10 0 DGAERO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000122420087 431832661 /nfs/dbraw/zinc/83/26/61/431832661.db2.gz SENHWOPZACNQOV-PBHICJAKSA-N 1 0 316.445 3.234 10 0 DGAERO COCC[N@@H+](Cc1ccccc1C)C[C@@H](O)Cc1ccccc1 ZINC000036099868 431834853 /nfs/dbraw/zinc/83/48/53/431834853.db2.gz MDZUZGMHECBGGL-FQEVSTJZSA-N 1 0 313.441 3.047 10 0 DGAERO Cc1ccc(CCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000036191514 431836981 /nfs/dbraw/zinc/83/69/81/431836981.db2.gz KSGQFBNOPRXUPV-IBGZPJMESA-N 1 0 310.441 3.347 10 0 DGAERO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccs1)C1CC1 ZINC000036103430 431837556 /nfs/dbraw/zinc/83/75/56/431837556.db2.gz GYWAVCJYXSGULW-KRWDZBQOSA-N 1 0 317.454 3.290 10 0 DGAERO CC[C@@H](C)N(C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000047379042 431909280 /nfs/dbraw/zinc/90/92/80/431909280.db2.gz PISNXEVVXHMQDS-OAHLLOKOSA-N 1 0 318.465 3.091 10 0 DGAERO Cc1cc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c2ccccc2n1 ZINC000125034235 431911566 /nfs/dbraw/zinc/91/15/66/431911566.db2.gz LDJLLLCRTLEJAA-HNNXBMFYSA-N 1 0 306.413 3.266 10 0 DGAERO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000047973782 431917249 /nfs/dbraw/zinc/91/72/49/431917249.db2.gz OFSLGMGUIRSEOU-DZGCQCFKSA-N 1 0 317.458 3.411 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)NC1CCCC1 ZINC000047943435 431917739 /nfs/dbraw/zinc/91/77/39/431917739.db2.gz XRNURUQVJGQIHB-VHSXEESVSA-N 1 0 300.855 3.499 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)o1 ZINC000048060239 431918895 /nfs/dbraw/zinc/91/88/95/431918895.db2.gz NDIXXUHRUHIYDQ-HOCLYGCPSA-N 1 0 315.417 3.251 10 0 DGAERO C[C@@H](c1ccccn1)[N@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088738 431920983 /nfs/dbraw/zinc/92/09/83/431920983.db2.gz PAEUAVJGVSSORT-GJZGRUSLSA-N 1 0 319.449 3.474 10 0 DGAERO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000089732885 431876092 /nfs/dbraw/zinc/87/60/92/431876092.db2.gz SNKMTLBNKGUQHB-HKUYNNGSSA-N 1 0 324.472 3.365 10 0 DGAERO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089733408 431876946 /nfs/dbraw/zinc/87/69/46/431876946.db2.gz PUXWYVWSASTUKU-PKOBYXMFSA-N 1 0 324.472 3.365 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1scnc1C1CC1 ZINC000089769738 431878351 /nfs/dbraw/zinc/87/83/51/431878351.db2.gz IAZMSKHWSQYIPR-GFCCVEGCSA-N 1 0 309.479 3.261 10 0 DGAERO CC(C)CNC(=O)c1ccccc1NCc1nccn1C(C)C ZINC000123938397 431878795 /nfs/dbraw/zinc/87/87/95/431878795.db2.gz OZFOJNFVCJRRLZ-UHFFFAOYSA-N 1 0 314.433 3.462 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2csc(-c3ccoc3)n2)CC[N@@H+]1C ZINC000124043952 431882071 /nfs/dbraw/zinc/88/20/71/431882071.db2.gz GTFSKDJGZBXOPZ-SWLSCSKDSA-N 1 0 305.447 3.318 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)c(F)c1 ZINC000124166348 431885154 /nfs/dbraw/zinc/88/51/54/431885154.db2.gz OZINKMDXEBLSSR-LLVKDONJSA-N 1 0 305.397 3.078 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000089937128 431886774 /nfs/dbraw/zinc/88/67/74/431886774.db2.gz MCLCLRSVIANFBI-CYBMUJFWSA-N 1 0 310.488 3.398 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC000090740063 431894505 /nfs/dbraw/zinc/89/45/05/431894505.db2.gz SJWBDQGGORPCLL-NSHDSACASA-N 1 0 310.360 3.176 10 0 DGAERO CC(=O)Nc1cccc([C@@H](C)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000090773257 431894510 /nfs/dbraw/zinc/89/45/10/431894510.db2.gz OKUJJDUDCPIFCJ-DNVCBOLYSA-N 1 0 317.477 3.416 10 0 DGAERO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cn1 ZINC000090880026 431896708 /nfs/dbraw/zinc/89/67/08/431896708.db2.gz SGHZPHLQPHQGBQ-HUUCEWRRSA-N 1 0 324.432 3.457 10 0 DGAERO CC[C@H](COC)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090853037 431897017 /nfs/dbraw/zinc/89/70/17/431897017.db2.gz MNEDVGRQHSYCKH-DAXOMENPSA-N 1 0 314.832 3.239 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCc2ccccc21 ZINC000090937978 431898203 /nfs/dbraw/zinc/89/82/03/431898203.db2.gz KOPJIJMNJLWWFF-KUHUBIRLSA-N 1 0 319.408 3.062 10 0 DGAERO COC[C@@H](O)CC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000090950136 431898694 /nfs/dbraw/zinc/89/86/94/431898694.db2.gz FGYXWXRRBGUYIZ-RDJZCZTQSA-N 1 0 319.445 3.200 10 0 DGAERO CN1C(=O)C[C@H]([NH2+]C2CCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000090968695 431898731 /nfs/dbraw/zinc/89/87/31/431898731.db2.gz DRVPBZZEVBOZAK-GOEBONIOSA-N 1 0 324.877 3.097 10 0 DGAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(Br)cc1F ZINC000097817718 431975099 /nfs/dbraw/zinc/97/50/99/431975099.db2.gz COXJUZBKNNRFOS-JTQLQIEISA-N 1 0 316.214 3.401 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)s1 ZINC000127623612 431977044 /nfs/dbraw/zinc/97/70/44/431977044.db2.gz CGDDNERXBYZTHH-UHFFFAOYSA-N 1 0 317.520 3.349 10 0 DGAERO Cc1cc(N(CCO)Cc2cccnc2)c2cc(F)ccc2[nH+]1 ZINC000127717166 431979321 /nfs/dbraw/zinc/97/93/21/431979321.db2.gz GBZPESFRFKMHOJ-UHFFFAOYSA-N 1 0 311.360 3.076 10 0 DGAERO Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c1C ZINC000127736871 431979380 /nfs/dbraw/zinc/97/93/80/431979380.db2.gz VZXCNRWFDHOICD-UKRRQHHQSA-N 1 0 313.445 3.339 10 0 DGAERO Cc1ccc2[nH]c(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2c1C ZINC000127737121 431979607 /nfs/dbraw/zinc/97/96/07/431979607.db2.gz VZXCNRWFDHOICD-HIFRSBDPSA-N 1 0 313.445 3.339 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)c2ccccc21 ZINC000125671755 431932513 /nfs/dbraw/zinc/93/25/13/431932513.db2.gz TZJCESYHRJUDBJ-RDTXWAMCSA-N 1 0 315.461 3.266 10 0 DGAERO O=C(c1cccc(Cl)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073292 431935986 /nfs/dbraw/zinc/93/59/86/431935986.db2.gz WUBWIBNPPYMTNG-UHFFFAOYSA-N 1 0 306.837 3.288 10 0 DGAERO O=C(c1cc2ccccc2[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074036 431936095 /nfs/dbraw/zinc/93/60/95/431936095.db2.gz BMNAXBHIEMAZHY-UHFFFAOYSA-N 1 0 311.429 3.116 10 0 DGAERO c1sc(Cc2ccccc2)nc1CN1CC[NH+](C2CC2)CC1 ZINC000125840148 431936830 /nfs/dbraw/zinc/93/68/30/431936830.db2.gz KEVGSRRPVZARKE-UHFFFAOYSA-N 1 0 313.470 3.014 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccc(Cl)s1 ZINC000049129320 431937488 /nfs/dbraw/zinc/93/74/88/431937488.db2.gz DHVZMJGVAZWHFD-WDEREUQCSA-N 1 0 315.822 3.223 10 0 DGAERO COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](CC(C)C)CC1 ZINC000096281067 431944249 /nfs/dbraw/zinc/94/42/49/431944249.db2.gz YDSAFQLQECTIJP-UHFFFAOYSA-N 1 0 318.461 3.095 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC000126504515 431951205 /nfs/dbraw/zinc/95/12/05/431951205.db2.gz QVKCACJQTNEARB-SNVBAGLBSA-N 1 0 311.495 3.314 10 0 DGAERO CCC(=O)N1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000126541595 431952520 /nfs/dbraw/zinc/95/25/20/431952520.db2.gz VAJWKUKCCTVSEZ-ZFWWWQNUSA-N 1 0 320.408 3.028 10 0 DGAERO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000126551642 431953144 /nfs/dbraw/zinc/95/31/44/431953144.db2.gz LIUFXRILJXHVTI-NVXWUHKLSA-N 1 0 316.445 3.118 10 0 DGAERO CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCCO2 ZINC000126715989 431956477 /nfs/dbraw/zinc/95/64/77/431956477.db2.gz DZIBJPBBUAURCQ-RDJZCZTQSA-N 1 0 316.445 3.234 10 0 DGAERO CCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000052887049 431959638 /nfs/dbraw/zinc/95/96/38/431959638.db2.gz GCHZEAPJJKXVQB-AWEZNQCLSA-N 1 0 306.207 3.328 10 0 DGAERO C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCCC[C@@H]1O ZINC000053885840 431965803 /nfs/dbraw/zinc/96/58/03/431965803.db2.gz NXMAUXABVGLRNF-MFKMUULPSA-N 1 0 318.280 3.494 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000097466582 431969459 /nfs/dbraw/zinc/96/94/59/431969459.db2.gz OAJVWVVZQBTFSZ-QWHCGFSZSA-N 1 0 306.372 3.052 10 0 DGAERO CC(C)(C[NH+]1CCCC1)NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000055384600 431981118 /nfs/dbraw/zinc/98/11/18/431981118.db2.gz KNOHQLRVGNHWPF-UHFFFAOYSA-N 1 0 316.424 3.180 10 0 DGAERO CCN1CCC[C@H]1C[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055401271 431981549 /nfs/dbraw/zinc/98/15/49/431981549.db2.gz XDQTVXOCVXGOGO-SFHVURJKSA-N 1 0 310.445 3.026 10 0 DGAERO C[C@@H](c1ccco1)[N@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000128028886 431986265 /nfs/dbraw/zinc/98/62/65/431986265.db2.gz UTNBOCHECJRVNY-MAUKXSAKSA-N 1 0 315.413 3.383 10 0 DGAERO CC1(C)CN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000333502110 281179669 /nfs/dbraw/zinc/17/96/69/281179669.db2.gz FNGTXRHSRKNXLC-SCRDCRAPSA-N 1 0 307.463 3.111 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)c1F ZINC000158318965 281192578 /nfs/dbraw/zinc/19/25/78/281192578.db2.gz CGTBCGYNAOGEOZ-NWDGAFQWSA-N 1 0 310.800 3.178 10 0 DGAERO C[N@@H+](Cc1ccccc1OCc1cccnc1)C[C@@H]1CCCO1 ZINC000128086418 431987465 /nfs/dbraw/zinc/98/74/65/431987465.db2.gz WKFRBHNCYUJGCB-SFHVURJKSA-N 1 0 312.413 3.271 10 0 DGAERO CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC[C@H]1[NH3+] ZINC000261874678 281202149 /nfs/dbraw/zinc/20/21/49/281202149.db2.gz OLFYHSZUOPPPQQ-UMVBOHGHSA-N 1 0 306.837 3.029 10 0 DGAERO CSc1ccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000056943667 431989721 /nfs/dbraw/zinc/98/97/21/431989721.db2.gz YWSZPEIQABIRPE-UHFFFAOYSA-N 1 0 323.506 3.327 10 0 DGAERO CC[C@@H](O)CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000128231081 431990304 /nfs/dbraw/zinc/99/03/04/431990304.db2.gz RHPQQDUDOSAVBM-TZMCWYRMSA-N 1 0 301.377 3.360 10 0 DGAERO Cc1ccc(CC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)s1 ZINC000057048200 431990402 /nfs/dbraw/zinc/99/04/02/431990402.db2.gz DPIKHSPSAWXJCR-DYVFJYSZSA-N 1 0 308.491 3.226 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCCO1 ZINC000183201623 432269733 /nfs/dbraw/zinc/26/97/33/432269733.db2.gz GOOPCEZHRKWUHW-DNVCBOLYSA-N 1 0 324.424 3.449 10 0 DGAERO Cc1ccc2c(C[NH2+][C@@H](C)[C@@H]3CCCO3)cc(=O)oc2c1C ZINC000183224864 432270671 /nfs/dbraw/zinc/27/06/71/432270671.db2.gz JFCDZLRNTXAVQE-BBRMVZONSA-N 1 0 301.386 3.067 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000183230073 432273046 /nfs/dbraw/zinc/27/30/46/432273046.db2.gz FHLJRDNDBDEIDX-IAQYHMDHSA-N 1 0 307.340 3.358 10 0 DGAERO COc1cccc(OCC[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000151752145 432273246 /nfs/dbraw/zinc/27/32/46/432273246.db2.gz SGEHYLKTECRZPW-AWEZNQCLSA-N 1 0 318.442 3.410 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000173380023 432275472 /nfs/dbraw/zinc/27/54/72/432275472.db2.gz DLPATZYHEVAJMG-HOCLYGCPSA-N 1 0 308.491 3.170 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000248217876 432275797 /nfs/dbraw/zinc/27/57/97/432275797.db2.gz ZZJWBXFJQRADGL-XMTFNYHQSA-N 1 0 321.436 3.176 10 0 DGAERO CCc1nccn1[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000151810007 432279332 /nfs/dbraw/zinc/27/93/32/432279332.db2.gz WKQUGDDTZYYWJJ-OAHLLOKOSA-N 1 0 304.438 3.125 10 0 DGAERO c1cc(-c2nc(CN3CC[N@@H+]4CCCC[C@H]4C3)cs2)co1 ZINC000248334238 432279787 /nfs/dbraw/zinc/27/97/87/432279787.db2.gz GAPFVRMERIOYLN-HNNXBMFYSA-N 1 0 303.431 3.073 10 0 DGAERO COc1cccc(F)c1[C@H](C)[NH2+]CCCOCC(F)(F)F ZINC000151824796 432280419 /nfs/dbraw/zinc/28/04/19/432280419.db2.gz SDLIVYFIBPIKRI-JTQLQIEISA-N 1 0 309.303 3.454 10 0 DGAERO C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC000183316825 432281496 /nfs/dbraw/zinc/28/14/96/432281496.db2.gz YUUSREPFONMTQD-GOEBONIOSA-N 1 0 306.494 3.439 10 0 DGAERO COc1ccc(C[N@H+](C[C@@H](O)C(F)(F)F)[C@H](C)C2CC2)cc1 ZINC000248401487 432284409 /nfs/dbraw/zinc/28/44/09/432284409.db2.gz ZQKVGGOVNOZXFU-IAQYHMDHSA-N 1 0 317.351 3.219 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000191628335 432284482 /nfs/dbraw/zinc/28/44/82/432284482.db2.gz XVESLRZERUNCPP-OPQQBVKSSA-N 1 0 314.223 3.286 10 0 DGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCOCC1 ZINC000191631754 432285973 /nfs/dbraw/zinc/28/59/73/432285973.db2.gz GZIULCFEFPOQSQ-SNVBAGLBSA-N 1 0 314.223 3.287 10 0 DGAERO COC[C@H]([NH2+]CCCc1ccccn1)c1ccc(F)c(F)c1 ZINC000183361023 432286646 /nfs/dbraw/zinc/28/66/46/432286646.db2.gz ZURSLFHGCQYRPT-KRWDZBQOSA-N 1 0 306.356 3.270 10 0 DGAERO C[C@@](O)(C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000191668707 432288443 /nfs/dbraw/zinc/28/84/43/432288443.db2.gz LNMMAEDRSMVRHH-LJQANCHMSA-N 1 0 313.445 3.498 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1SCCc2ccccc21 ZINC000173833438 432303630 /nfs/dbraw/zinc/30/36/30/432303630.db2.gz XGICXXXPCMPSLC-RDJZCZTQSA-N 1 0 320.502 3.110 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2scnc2C2CCCC2)C1 ZINC000248429327 432289684 /nfs/dbraw/zinc/28/96/84/432289684.db2.gz QGNDVLYCGAPULN-GXTWGEPZSA-N 1 0 321.490 3.259 10 0 DGAERO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000248443500 432291516 /nfs/dbraw/zinc/29/15/16/432291516.db2.gz VVXPBPZVXLUPEY-JKSUJKDBSA-N 1 0 321.465 3.060 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2)[C@H]1Oc1ccccc1 ZINC000248539040 432297700 /nfs/dbraw/zinc/29/77/00/432297700.db2.gz AJJHFCRLBVTKRQ-IPMKNSEASA-N 1 0 313.397 3.107 10 0 DGAERO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000248550310 432300391 /nfs/dbraw/zinc/30/03/91/432300391.db2.gz HURAIXVKODNHSR-RCCFBDPRSA-N 1 0 309.425 3.121 10 0 DGAERO C[C@@H]1C[C@@H]1[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000248562176 432302212 /nfs/dbraw/zinc/30/22/12/432302212.db2.gz NJXFBNVSAMEISX-WKPIXPDZSA-N 1 0 318.218 3.327 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000128555579 431996574 /nfs/dbraw/zinc/99/65/74/431996574.db2.gz BARPRYUERRJSDP-CYBMUJFWSA-N 1 0 304.463 3.065 10 0 DGAERO CC(=O)Oc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000128587961 431996883 /nfs/dbraw/zinc/99/68/83/431996883.db2.gz DBKGHYJDYRACBU-MSOLQXFVSA-N 1 0 313.401 3.082 10 0 DGAERO Cc1cc(NCC2CCC(C(N)=O)CC2)c2cccc(F)c2n1 ZINC000128805834 432000622 /nfs/dbraw/zinc/00/06/22/432000622.db2.gz UAAPOXRFXJRORN-UHFFFAOYSA-N 1 0 315.392 3.386 10 0 DGAERO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc2c(c1)CCO2 ZINC000248003082 432261041 /nfs/dbraw/zinc/26/10/41/432261041.db2.gz KOZZEJFWMHFKMB-ATLSCFEFSA-N 1 0 301.430 3.476 10 0 DGAERO Cc1ccccc1SCC(=O)NCCC[NH+]1CCCCC1 ZINC000248007287 432262104 /nfs/dbraw/zinc/26/21/04/432262104.db2.gz HKHOZNDEAOWZOT-UHFFFAOYSA-N 1 0 306.475 3.079 10 0 DGAERO Cc1cnc(CCN(C)Cc2nccn2-c2ccccc2)s1 ZINC000191420928 432263145 /nfs/dbraw/zinc/26/31/45/432263145.db2.gz JGDBMWWCBZGXHG-UHFFFAOYSA-N 1 0 312.442 3.312 10 0 DGAERO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000248046510 432263603 /nfs/dbraw/zinc/26/36/03/432263603.db2.gz NDBAFVKKWAVRNE-MOPGFXCFSA-N 1 0 324.424 3.261 10 0 DGAERO C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248072970 432265498 /nfs/dbraw/zinc/26/54/98/432265498.db2.gz QQJFUNKQZCEOTC-IPELMVKDSA-N 1 0 324.424 3.016 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(Cc3csc(-c4ccoc4)n3)CC[C@H]21 ZINC000248072915 432265913 /nfs/dbraw/zinc/26/59/13/432265913.db2.gz MSEWIANXUGRJAN-CZUORRHYSA-N 1 0 317.458 3.319 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1c1ccccc1 ZINC000248072973 432267286 /nfs/dbraw/zinc/26/72/86/432267286.db2.gz QQKIOHTZZKOGAZ-IEBWSBKVSA-N 1 0 319.408 3.343 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248747937 432316075 /nfs/dbraw/zinc/31/60/75/432316075.db2.gz FQDWLJPUTWQYPV-AFAVFJNCSA-N 1 0 307.482 3.150 10 0 DGAERO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cccc2cccnc21 ZINC000248768053 432317833 /nfs/dbraw/zinc/31/78/33/432317833.db2.gz AARVANFACHITNH-LESCRADOSA-N 1 0 310.397 3.008 10 0 DGAERO CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)C1=O ZINC000248797481 432318198 /nfs/dbraw/zinc/31/81/98/432318198.db2.gz PIUYYHQGIGOQEX-CHWSQXEVSA-N 1 0 320.399 3.296 10 0 DGAERO CCNc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248819530 432319839 /nfs/dbraw/zinc/31/98/39/432319839.db2.gz BFNIMNXJVKZBTG-GXTWGEPZSA-N 1 0 323.868 3.327 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCc2cc3ccccc3o2)CC[N@@H+]1C ZINC000174077345 432320167 /nfs/dbraw/zinc/32/01/67/432320167.db2.gz GNWXUIKYLBEPDV-ZFWWWQNUSA-N 1 0 315.417 3.057 10 0 DGAERO C[C@](O)(C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1Cl ZINC000248803742 432320170 /nfs/dbraw/zinc/32/01/70/432320170.db2.gz JXLQCRYKVXNVRN-YMCQQKJTSA-N 1 0 323.864 3.341 10 0 DGAERO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C)n1 ZINC000152308331 432321820 /nfs/dbraw/zinc/32/18/20/432321820.db2.gz IUBGZUDQJAHWMD-CVEARBPZSA-N 1 0 316.449 3.177 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCC(CC)CC2)C1 ZINC000174142834 432324635 /nfs/dbraw/zinc/32/46/35/432324635.db2.gz MBJIBMKSUAENAA-CGZBRXJRSA-N 1 0 309.498 3.329 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(F)c(CSC)c1 ZINC000174171592 432327210 /nfs/dbraw/zinc/32/72/10/432327210.db2.gz QYBWCVCAFREVSE-GFCCVEGCSA-N 1 0 312.454 3.149 10 0 DGAERO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000248886784 432327984 /nfs/dbraw/zinc/32/79/84/432327984.db2.gz RCRGUPQKFNBZNI-COXVUDFISA-N 1 0 316.445 3.054 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2csc(CC)n2)C12CCOCC2 ZINC000248978882 432330727 /nfs/dbraw/zinc/33/07/27/432330727.db2.gz IHYQLIUIBOQDCQ-BPLDGKMQSA-N 1 0 324.490 3.330 10 0 DGAERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)C3CCCCC3)C2)n1 ZINC000248970842 432331403 /nfs/dbraw/zinc/33/14/03/432331403.db2.gz SCNJVDASAGVIGV-FUHWJXTLSA-N 1 0 317.477 3.065 10 0 DGAERO CCCc1nc(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000174250451 432331619 /nfs/dbraw/zinc/33/16/19/432331619.db2.gz LVJYZWJGMUHLOW-AGUYFDCRSA-N 1 0 321.490 3.149 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000248948941 432331719 /nfs/dbraw/zinc/33/17/19/432331719.db2.gz CUWHMHNTSKKJCA-GNXNZQSNSA-N 1 0 321.808 3.124 10 0 DGAERO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248973211 432331750 /nfs/dbraw/zinc/33/17/50/432331750.db2.gz PWXJQUAGSKJZCV-KBRIMQKVSA-N 1 0 315.417 3.019 10 0 DGAERO CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000174233069 432331929 /nfs/dbraw/zinc/33/19/29/432331929.db2.gz MKAATHQJRCDABH-QZTJIDSGSA-N 1 0 317.477 3.133 10 0 DGAERO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000248988854 432333323 /nfs/dbraw/zinc/33/33/23/432333323.db2.gz WGQDLXWZGMQDRB-DTZQCDIJSA-N 1 0 305.422 3.132 10 0 DGAERO C[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)CCS1 ZINC000152451223 432333578 /nfs/dbraw/zinc/33/35/78/432333578.db2.gz FMUAQWQTXKCHPK-WCQYABFASA-N 1 0 319.392 3.046 10 0 DGAERO CC[NH+](CC)[C@H]1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000174306623 432334162 /nfs/dbraw/zinc/33/41/62/432334162.db2.gz PGTRQIWTJVQHFL-HOCLYGCPSA-N 1 0 314.433 3.214 10 0 DGAERO CSCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000174284250 432334965 /nfs/dbraw/zinc/33/49/65/432334965.db2.gz ZGCHUWQFEUXIDJ-SWLSCSKDSA-N 1 0 324.465 3.243 10 0 DGAERO CN1C[C@@H]([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CCC1=O ZINC000152500220 432336152 /nfs/dbraw/zinc/33/61/52/432336152.db2.gz QEFMJGDQGPJKPN-ZANVPECISA-N 1 0 313.228 3.191 10 0 DGAERO CCc1nc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)sc1C ZINC000174335443 432338154 /nfs/dbraw/zinc/33/81/54/432338154.db2.gz HWGUXYYFMATEJH-ZDUSSCGKSA-N 1 0 322.478 3.106 10 0 DGAERO COc1ccccc1C[C@@H]1CCCN1CC[NH+]1CCC(C)CC1 ZINC000152534147 432340258 /nfs/dbraw/zinc/34/02/58/432340258.db2.gz LPTGALGPDMERMB-IBGZPJMESA-N 1 0 316.489 3.434 10 0 DGAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192174312 432341381 /nfs/dbraw/zinc/34/13/81/432341381.db2.gz QAWBLVXHVWUMIV-IUCAKERBSA-N 1 0 306.631 3.209 10 0 DGAERO C[C@H](C1CC1)[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000249216517 432343642 /nfs/dbraw/zinc/34/36/42/432343642.db2.gz ALRHIJIOCGDASV-ZYHUDNBSSA-N 1 0 318.244 3.463 10 0 DGAERO CCC(=O)c1cccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)c1 ZINC000152650718 432346354 /nfs/dbraw/zinc/34/63/54/432346354.db2.gz GQDZYESNNCPCIW-CYBMUJFWSA-N 1 0 305.422 3.131 10 0 DGAERO COc1cc(C)c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000249474350 432348683 /nfs/dbraw/zinc/34/86/83/432348683.db2.gz VGABQSZBTNLNBN-STQMWFEESA-N 1 0 323.412 3.089 10 0 DGAERO Cc1coc2ccc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)cc12 ZINC000249466509 432349102 /nfs/dbraw/zinc/34/91/02/432349102.db2.gz SIUQEYYCAWAXEK-UKRRQHHQSA-N 1 0 313.401 3.442 10 0 DGAERO OC[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1c1ccsc1 ZINC000249532428 432351291 /nfs/dbraw/zinc/35/12/91/432351291.db2.gz BGNJWQGHGIEOEA-FUHWJXTLSA-N 1 0 317.454 3.225 10 0 DGAERO CCC1=C(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCCO1 ZINC000249580111 432351888 /nfs/dbraw/zinc/35/18/88/432351888.db2.gz NAZVOCNJOLWFOF-AEFFLSMTSA-N 1 0 314.429 3.023 10 0 DGAERO CC1(CO)CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000184075487 432351980 /nfs/dbraw/zinc/35/19/80/432351980.db2.gz QCWWDPJUPPDQPR-UHFFFAOYSA-N 1 0 314.404 3.482 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)cn1 ZINC000249635569 432352586 /nfs/dbraw/zinc/35/25/86/432352586.db2.gz RXUNJEWFPHYKLY-RHSMWYFYSA-N 1 0 311.429 3.192 10 0 DGAERO Cc1nnc(CN2CC[C@H](C)C[C@@H]2c2ccco2)n1C1CC1 ZINC000174508457 432354250 /nfs/dbraw/zinc/35/42/50/432354250.db2.gz BVNGFNOCUIDQPZ-SWLSCSKDSA-N 1 0 300.406 3.488 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000249711096 432354532 /nfs/dbraw/zinc/35/45/32/432354532.db2.gz DUHNXLZHZDDDML-KSSFIOAISA-N 1 0 316.445 3.089 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000174544642 432354592 /nfs/dbraw/zinc/35/45/92/432354592.db2.gz BXTLYHIHPSVFHT-MKBNYLNASA-N 1 0 301.434 3.474 10 0 DGAERO CC[C@H]([NH2+][C@H](C)c1nnc(-c2ccccc2)o1)[C@@H]1CCCO1 ZINC000248595230 432304458 /nfs/dbraw/zinc/30/44/58/432304458.db2.gz MEJQUMAATOSIPJ-SNPRPXQTSA-N 1 0 301.390 3.345 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1sc(C)nc1C(F)(F)F ZINC000183594796 432305949 /nfs/dbraw/zinc/30/59/49/432305949.db2.gz QRDVZUGWTBCKJH-NSHDSACASA-N 1 0 321.412 3.386 10 0 DGAERO CCCC[C@@H](CC)C[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000183614407 432308832 /nfs/dbraw/zinc/30/88/32/432308832.db2.gz AYSMTVQBHKVUQI-GDBMZVCRSA-N 1 0 308.470 3.273 10 0 DGAERO CNC(=O)Cc1nc(C[NH2+][C@H]2CCC[C@@H]2CCC(C)C)cs1 ZINC000191879896 432310353 /nfs/dbraw/zinc/31/03/53/432310353.db2.gz VZNJSBUBHCBRIR-HIFRSBDPSA-N 1 0 323.506 3.126 10 0 DGAERO C[C@@H]([NH2+]Cc1ccnn1C)[C@H](C)c1nc2ccccc2s1 ZINC000152195236 432310940 /nfs/dbraw/zinc/31/09/40/432310940.db2.gz GFQPUDVIJWMTAI-NWDGAFQWSA-N 1 0 300.431 3.312 10 0 DGAERO CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)n1C ZINC000191889271 432312112 /nfs/dbraw/zinc/31/21/12/432312112.db2.gz LBKKSGUPRRGNJT-IAGOWNOFSA-N 1 0 312.461 3.440 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(F)c1 ZINC000248706102 432312362 /nfs/dbraw/zinc/31/23/62/432312362.db2.gz HOWDZIJDVWULQP-HYEYJGRESA-N 1 0 305.393 3.443 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000174002933 432314212 /nfs/dbraw/zinc/31/42/12/432314212.db2.gz XOTNTXHFBKNHGE-MNOVXSKESA-N 1 0 315.870 3.026 10 0 DGAERO CSCc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000248735691 432315307 /nfs/dbraw/zinc/31/53/07/432315307.db2.gz OSAVCECZJFWIFS-ZFWWWQNUSA-N 1 0 319.474 3.250 10 0 DGAERO CC[NH+](CC)CC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000191938645 432315933 /nfs/dbraw/zinc/31/59/33/432315933.db2.gz XONDQHBAVMPMGD-UHFFFAOYSA-N 1 0 316.367 3.309 10 0 DGAERO CO[C@H]1C[N@H+](CCCC(=O)Nc2c(C)cccc2C)CC[C@@H]1C ZINC000251915412 432373619 /nfs/dbraw/zinc/37/36/19/432373619.db2.gz RZKDKKZUTMRRBS-YOEHRIQHSA-N 1 0 318.461 3.379 10 0 DGAERO CCCNc1ccc(CNC(=O)NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000192437617 432374387 /nfs/dbraw/zinc/37/43/87/432374387.db2.gz BMBOSWQFRDSOLW-OAHLLOKOSA-N 1 0 320.481 3.038 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCCc3ccccc31)CC2 ZINC000174850423 432374589 /nfs/dbraw/zinc/37/45/89/432374589.db2.gz MEEUKPZHTNKDDD-NVXWUHKLSA-N 1 0 310.445 3.213 10 0 DGAERO CC[C@@H]1C[N@H+](CCC(=O)NC(C)C)CC[C@@H]1c1ccccc1 ZINC000174883805 432376198 /nfs/dbraw/zinc/37/61/98/432376198.db2.gz LHEDBADDCMEMIY-AEFFLSMTSA-N 1 0 302.462 3.417 10 0 DGAERO Cc1ccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1F ZINC000192456235 432376244 /nfs/dbraw/zinc/37/62/44/432376244.db2.gz ZCPCILFXYQKRJE-UHFFFAOYSA-N 1 0 316.401 3.337 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252446649 432376970 /nfs/dbraw/zinc/37/69/70/432376970.db2.gz YOGBDCRRIUXDAE-IMJJTQAJSA-N 1 0 306.837 3.219 10 0 DGAERO CC[C@H]1C[N@H+](CCC(=O)NC(C)C)CC[C@@H]1c1ccccc1 ZINC000174883821 432376992 /nfs/dbraw/zinc/37/69/92/432376992.db2.gz LHEDBADDCMEMIY-WMZOPIPTSA-N 1 0 302.462 3.417 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(C)s1 ZINC000252443637 432377138 /nfs/dbraw/zinc/37/71/38/432377138.db2.gz DCCBFCCBGDWTTE-OSAQELSMSA-N 1 0 321.490 3.304 10 0 DGAERO C[C@H](CC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)[S@](C)=O ZINC000253013649 432388731 /nfs/dbraw/zinc/38/87/31/432388731.db2.gz FINZFUOCGITZDI-PKQAIAMASA-N 1 0 304.459 3.292 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000175012971 432390041 /nfs/dbraw/zinc/39/00/41/432390041.db2.gz LXXZZMAHULYYBG-IAGOWNOFSA-N 1 0 323.440 3.381 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000153191345 432390936 /nfs/dbraw/zinc/39/09/36/432390936.db2.gz NCAFJBZPNOUGRO-HZMBPMFUSA-N 1 0 313.804 3.426 10 0 DGAERO Cc1cccc(F)c1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000184473782 432395189 /nfs/dbraw/zinc/39/51/89/432395189.db2.gz HCEWAFVQHLWVSN-CQSZACIVSA-N 1 0 307.413 3.376 10 0 DGAERO CCc1cnc(CC[NH2+]CCCc2ccc3c(c2)CCO3)s1 ZINC000192631113 432395712 /nfs/dbraw/zinc/39/57/12/432395712.db2.gz OMMATRACDBRENZ-UHFFFAOYSA-N 1 0 316.470 3.405 10 0 DGAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cc1 ZINC000153269320 432396328 /nfs/dbraw/zinc/39/63/28/432396328.db2.gz AQBPRLZDRVUTTH-DLBZAZTESA-N 1 0 320.477 3.093 10 0 DGAERO C[C@H](CC[NH2+][C@H](C)c1cccc(O)c1)NC(=O)OC(C)(C)C ZINC000192677597 432400702 /nfs/dbraw/zinc/40/07/02/432400702.db2.gz INKXQYJKRKECJN-CHWSQXEVSA-N 1 0 308.422 3.346 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000253549623 432401024 /nfs/dbraw/zinc/40/10/24/432401024.db2.gz UTZBJDZSMYHLBP-ZAWLATJESA-N 1 0 312.457 3.184 10 0 DGAERO CC[C@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(Cl)s1 ZINC000153326441 432401311 /nfs/dbraw/zinc/40/13/11/432401311.db2.gz IRBHCOQKEIEIPV-STQMWFEESA-N 1 0 316.898 3.411 10 0 DGAERO CC/C=C/CC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000184526475 432402194 /nfs/dbraw/zinc/40/21/94/432402194.db2.gz BORLBMWKPXCGOV-APHBUQMISA-N 1 0 308.491 3.410 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000175152806 432403783 /nfs/dbraw/zinc/40/37/83/432403783.db2.gz HBWDYLFZJLJRFJ-GOEBONIOSA-N 1 0 319.449 3.420 10 0 DGAERO Nc1ncnc(NCCCCOCc2ccccc2)c1Cl ZINC000192294337 432356165 /nfs/dbraw/zinc/35/61/65/432356165.db2.gz FFDVWJBTTKIOET-UHFFFAOYSA-N 1 0 306.797 3.121 10 0 DGAERO Cc1ccc2[nH]cc(CCC(=O)NC[C@@H](C)[N@H+](C)C3CC3)c2c1 ZINC000174564738 432356884 /nfs/dbraw/zinc/35/68/84/432356884.db2.gz NXZDPVKKVMOQOK-CQSZACIVSA-N 1 0 313.445 3.008 10 0 DGAERO Fc1ccc(CN2CCC[C@H]([NH2+]Cc3cocn3)C2)c(Cl)c1 ZINC000192311297 432357197 /nfs/dbraw/zinc/35/71/97/432357197.db2.gz IGIOOHSRIAXWGD-AWEZNQCLSA-N 1 0 323.799 3.221 10 0 DGAERO CCCN(CCc1cccs1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000184130859 432358109 /nfs/dbraw/zinc/35/81/09/432358109.db2.gz CCTBHRTWJMHLAM-HNNXBMFYSA-N 1 0 323.506 3.197 10 0 DGAERO CN1CC[C@@H](C[NH2+]Cc2cocn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192338730 432361500 /nfs/dbraw/zinc/36/15/00/432361500.db2.gz VYFBGRQOXZOKAX-LRDDRELGSA-N 1 0 323.799 3.250 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1c1ccsc1 ZINC000249966024 432361708 /nfs/dbraw/zinc/36/17/08/432361708.db2.gz JZXFPBAZUDOGTC-BBRMVZONSA-N 1 0 309.381 3.234 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+](CC(=O)N3CCCC[C@H]3C)C2)n1 ZINC000249895834 432362897 /nfs/dbraw/zinc/36/28/97/432362897.db2.gz RSPGFILZHSUSQX-CABCVRRESA-N 1 0 321.490 3.032 10 0 DGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192352857 432363426 /nfs/dbraw/zinc/36/34/26/432363426.db2.gz YIQQRSCOQUYRBL-MLGOLLRUSA-N 1 0 304.434 3.053 10 0 DGAERO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192364317 432365665 /nfs/dbraw/zinc/36/56/65/432365665.db2.gz WITUMKOFNBWZLD-YOEHRIQHSA-N 1 0 316.445 3.150 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1cc(Cl)nc(C2CC2)n1 ZINC000251618266 432369637 /nfs/dbraw/zinc/36/96/37/432369637.db2.gz DUODVNLBGYBLDI-AAEUAGOBSA-N 1 0 306.841 3.070 10 0 DGAERO O=C(NC1CC1)[C@@H]([NH2+]CCc1ccsc1)c1ccc(F)cc1 ZINC000152950212 432370034 /nfs/dbraw/zinc/37/00/34/432370034.db2.gz INLPVUKBXLSKHC-INIZCTEOSA-N 1 0 318.417 3.039 10 0 DGAERO CCCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCc2ccccc2C1 ZINC000152940333 432370831 /nfs/dbraw/zinc/37/08/31/432370831.db2.gz YEICWHMURJJFDJ-CEXWTWQISA-N 1 0 314.473 3.300 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccccc1OCc1ccccc1 ZINC000261557041 432431507 /nfs/dbraw/zinc/43/15/07/432431507.db2.gz WTHAXDLKRNKTJJ-LPHOPBHVSA-N 1 0 310.441 3.353 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000153696772 432433216 /nfs/dbraw/zinc/43/32/16/432433216.db2.gz AOHMRPQKBVZMRL-QAPCUYQASA-N 1 0 318.461 3.191 10 0 DGAERO c1ccc2cc(CN3CC[NH2+]C[C@@H]3c3cccnc3)ccc2c1 ZINC000261606854 432433329 /nfs/dbraw/zinc/43/33/29/432433329.db2.gz BHFAWWJPYWDQSM-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CC(C)Oc1ccc([C@H](C)NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000261620297 432434614 /nfs/dbraw/zinc/43/46/14/432434614.db2.gz BZLZQCCFVFLBKI-WMLDXEAASA-N 1 0 318.461 3.429 10 0 DGAERO [NH3+]C1(c2noc(-c3cccc(-c4noc(C5CC5)n4)c3)n2)CCC1 ZINC000261652869 432439568 /nfs/dbraw/zinc/43/95/68/432439568.db2.gz FAWNBTASAJNIGH-UHFFFAOYSA-N 1 0 323.356 3.002 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1C ZINC000193058434 432443402 /nfs/dbraw/zinc/44/34/02/432443402.db2.gz XLWXSACLDCZIKJ-JFIYKMOQSA-N 1 0 321.509 3.329 10 0 DGAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1sccc1C ZINC000261733082 432443876 /nfs/dbraw/zinc/44/38/76/432443876.db2.gz OOKRQNAAROKDDR-OAHLLOKOSA-N 1 0 302.443 3.212 10 0 DGAERO C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193061560 432443989 /nfs/dbraw/zinc/44/39/89/432443989.db2.gz GDHORUXPVFUZAK-RDJZCZTQSA-N 1 0 307.482 3.083 10 0 DGAERO COc1ccc(Cc2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)cc1 ZINC000261725379 432444325 /nfs/dbraw/zinc/44/43/25/432444325.db2.gz MKKFYIJAOKLCBW-BPUTZDHNSA-N 1 0 313.401 3.262 10 0 DGAERO CCSc1cccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261733097 432444491 /nfs/dbraw/zinc/44/44/91/432444491.db2.gz OORNCRSXYOEVGB-GOSISDBHSA-N 1 0 313.470 3.340 10 0 DGAERO Fc1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261737515 432446918 /nfs/dbraw/zinc/44/69/18/432446918.db2.gz OWFREILRQMEXRP-MRXNPFEDSA-N 1 0 305.784 3.021 10 0 DGAERO Cn1cc(-c2nc(C3([NH3+])CCCC3)no2)c(C2CCCCC2)n1 ZINC000261751108 432446929 /nfs/dbraw/zinc/44/69/29/432446929.db2.gz LVEXCZGJMHXNNQ-UHFFFAOYSA-N 1 0 315.421 3.246 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000153830161 432447288 /nfs/dbraw/zinc/44/72/88/432447288.db2.gz LTVVEADOHDBCSV-QGZVFWFLSA-N 1 0 316.445 3.109 10 0 DGAERO Cc1sc2nc(C)nc(N3CC[C@@H](C)[C@@H](C[NH3+])C3)c2c1C ZINC000261773765 432448984 /nfs/dbraw/zinc/44/89/84/432448984.db2.gz WJBRVCWGOPVNIU-RNCFNFMXSA-N 1 0 304.463 3.038 10 0 DGAERO Cn1c(-c2nc(C3([NH3+])CCCC3)no2)ccc1-c1ccccc1 ZINC000261808323 432453069 /nfs/dbraw/zinc/45/30/69/432453069.db2.gz PQWTZFSLQAKTMH-UHFFFAOYSA-N 1 0 308.385 3.470 10 0 DGAERO c1ccc2c(c1)cccc2CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261821760 432453334 /nfs/dbraw/zinc/45/33/34/432453334.db2.gz SHRHRERDTKZZEE-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO COc1cccc([C@H](C)[NH+]2CCC(Cc3nccn3C)CC2)c1 ZINC000175650743 432455076 /nfs/dbraw/zinc/45/50/76/432455076.db2.gz DVPWSJDVZRODED-HNNXBMFYSA-N 1 0 313.445 3.444 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)Cc2cc(-c3cnn(C)c3)no2)cc1 ZINC000185008263 432456122 /nfs/dbraw/zinc/45/61/22/432456122.db2.gz KGQODEVBUKPDSL-HNNXBMFYSA-N 1 0 324.428 3.447 10 0 DGAERO C[C@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@@H]1c1ccccc1 ZINC000185018418 432456222 /nfs/dbraw/zinc/45/62/22/432456222.db2.gz PLNJTNJCMRVGAJ-UGSOOPFHSA-N 1 0 308.385 3.268 10 0 DGAERO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185027417 432457380 /nfs/dbraw/zinc/45/73/80/432457380.db2.gz CDQBMUGMKATLSF-GUYCJALGSA-N 1 0 302.422 3.476 10 0 DGAERO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185027352 432457900 /nfs/dbraw/zinc/45/79/00/432457900.db2.gz MPTSODKQEZSALE-HNNXBMFYSA-N 1 0 302.422 3.476 10 0 DGAERO [NH3+]C1(c2noc(CSc3ccc4c(c3)CCC4)n2)CCC1 ZINC000261883130 432458526 /nfs/dbraw/zinc/45/85/26/432458526.db2.gz WPVMBXFSSGLJGN-UHFFFAOYSA-N 1 0 301.415 3.189 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000255427339 432409095 /nfs/dbraw/zinc/40/90/95/432409095.db2.gz NEEJVIOJPYYFMY-AATOQMJSSA-N 1 0 304.409 3.172 10 0 DGAERO Cc1c(Cl)cccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000192769508 432410583 /nfs/dbraw/zinc/41/05/83/432410583.db2.gz PPHGELIXDWANKS-UHFFFAOYSA-N 1 0 308.853 3.499 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000255532304 432411369 /nfs/dbraw/zinc/41/13/69/432411369.db2.gz IHDNUUNQFFTHCO-XTKXOIQPSA-N 1 0 304.409 3.172 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C/C=C\c1ccc(F)cc1 ZINC000255558872 432411597 /nfs/dbraw/zinc/41/15/97/432411597.db2.gz XQDYEVKCULVNPP-VOKGJARPSA-N 1 0 304.409 3.220 10 0 DGAERO CC(C)Sc1ccc([C@@H](C)NCc2nc(N(C)C)no2)cc1 ZINC000192782064 432413735 /nfs/dbraw/zinc/41/37/35/432413735.db2.gz SKIGYISHKDZXBQ-GFCCVEGCSA-N 1 0 320.462 3.487 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)O1 ZINC000184629985 432414151 /nfs/dbraw/zinc/41/41/51/432414151.db2.gz RODUMCOZLYEKQI-SFHVURJKSA-N 1 0 302.462 3.198 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000153531139 432417090 /nfs/dbraw/zinc/41/70/90/432417090.db2.gz AGIBBRDATWYWBP-HIFRSBDPSA-N 1 0 324.490 3.253 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(Cl)cc1 ZINC000192811555 432417537 /nfs/dbraw/zinc/41/75/37/432417537.db2.gz ZFOZQWCBJGERDJ-XJKSGUPXSA-N 1 0 316.836 3.450 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1C ZINC000192812798 432418452 /nfs/dbraw/zinc/41/84/52/432418452.db2.gz BIESKZKHAGVNTB-AEFFLSMTSA-N 1 0 310.445 3.413 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccncc1 ZINC000175278707 432419656 /nfs/dbraw/zinc/41/96/56/432419656.db2.gz OKLHKZHKSGJGPC-LRDDRELGSA-N 1 0 315.804 3.191 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1coc(-c2cccs2)n1 ZINC000175352776 432427827 /nfs/dbraw/zinc/42/78/27/432427827.db2.gz JRMXGIIAYXZOIK-AWEZNQCLSA-N 1 0 305.447 3.319 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000185153525 432471099 /nfs/dbraw/zinc/47/10/99/432471099.db2.gz XNZXLFZPGRICHV-CQSZACIVSA-N 1 0 302.418 3.447 10 0 DGAERO C[C@@H](C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)C1C[NH2+]C1 ZINC000262059423 432472368 /nfs/dbraw/zinc/47/23/68/432472368.db2.gz IJIHESDCYOOFFS-FZKQIMNGSA-N 1 0 311.429 3.077 10 0 DGAERO COC[C@](C)(CCO)[NH2+]Cc1sc2ccccc2c1Cl ZINC000175848441 432472371 /nfs/dbraw/zinc/47/23/71/432472371.db2.gz BHUBFEVAPKYWCP-HNNXBMFYSA-N 1 0 313.850 3.432 10 0 DGAERO [NH3+]Cc1ccc(-c2noc(C[C@@H]3OCCc4ccccc43)n2)cc1 ZINC000262084085 432473696 /nfs/dbraw/zinc/47/36/96/432473696.db2.gz UDBAGUPPWHHXKH-KRWDZBQOSA-N 1 0 321.380 3.052 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000262079610 432473823 /nfs/dbraw/zinc/47/38/23/432473823.db2.gz SXLLTLOEOBBCIZ-UHFFFAOYSA-N 1 0 320.440 3.080 10 0 DGAERO CCN(C)[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)c1ccccc1 ZINC000262125405 432474630 /nfs/dbraw/zinc/47/46/30/432474630.db2.gz XRNGPPOKBIAVQI-QGZVFWFLSA-N 1 0 322.412 3.236 10 0 DGAERO O=C(NCC1(c2ccccc2)CCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262180253 432477606 /nfs/dbraw/zinc/47/76/06/432477606.db2.gz GFUCHJXPEHOEMA-JQHSSLGASA-N 1 0 312.457 3.145 10 0 DGAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000262211079 432479185 /nfs/dbraw/zinc/47/91/85/432479185.db2.gz OCCUYLNHNYKTIQ-JKSUJKDBSA-N 1 0 317.433 3.190 10 0 DGAERO CCC1(CC)C[N@H+](CCCOCc2ccccc2)CC[S@]1=O ZINC000185248347 432482173 /nfs/dbraw/zinc/48/21/73/432482173.db2.gz MNUKJRSJMKNLCH-JOCHJYFZSA-N 1 0 323.502 3.216 10 0 DGAERO CCCCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154227567 432483131 /nfs/dbraw/zinc/48/31/31/432483131.db2.gz YKPVMFFQTMSEMT-NVXWUHKLSA-N 1 0 310.482 3.105 10 0 DGAERO CCc1onc(C)c1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262404033 432485092 /nfs/dbraw/zinc/48/50/92/432485092.db2.gz PWODIPYQYAYRKQ-MRXNPFEDSA-N 1 0 323.396 3.128 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262531333 432489768 /nfs/dbraw/zinc/48/97/68/432489768.db2.gz PQDUKTGGUBZCAC-PZSREKOKSA-N 1 0 322.836 3.119 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262554829 432490684 /nfs/dbraw/zinc/49/06/84/432490684.db2.gz TYAGWYQLZXTRCV-DXCKQFNASA-N 1 0 322.836 3.119 10 0 DGAERO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000193700619 432491214 /nfs/dbraw/zinc/49/12/14/432491214.db2.gz IJQMJQWDQVRREN-STQMWFEESA-N 1 0 308.388 3.154 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1ccccc1)C1CC1 ZINC000185346351 432492698 /nfs/dbraw/zinc/49/26/98/432492698.db2.gz OEEIXWGUAHVLOT-HXUWFJFHSA-N 1 0 322.452 3.256 10 0 DGAERO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262575573 432492815 /nfs/dbraw/zinc/49/28/15/432492815.db2.gz JIYNDHXUMIYLTG-YQQAZPJKSA-N 1 0 308.853 3.323 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262590745 432493601 /nfs/dbraw/zinc/49/36/01/432493601.db2.gz DEHQHUXJVTVHHK-ARFHVFGLSA-N 1 0 308.853 3.275 10 0 DGAERO CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262612925 432494223 /nfs/dbraw/zinc/49/42/23/432494223.db2.gz WMIKESCLDPACQG-FGTMMUONSA-N 1 0 318.461 3.096 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262622517 432495096 /nfs/dbraw/zinc/49/50/96/432495096.db2.gz KBRASHFWMXGNGG-TUUVXOQKSA-N 1 0 306.837 3.077 10 0 DGAERO Cc1ccc(C[C@@H]2CCCN2Cc2nsc(N(C)C)n2)cc1 ZINC000154378420 432495155 /nfs/dbraw/zinc/49/51/55/432495155.db2.gz FUWJMLXQMUFKNX-HNNXBMFYSA-N 1 0 316.474 3.120 10 0 DGAERO CCCCCc1nnc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)s1 ZINC000262640582 432496364 /nfs/dbraw/zinc/49/63/64/432496364.db2.gz HREGAFKFFLWOHT-UPJWGTAASA-N 1 0 322.478 3.130 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000185379606 432496557 /nfs/dbraw/zinc/49/65/57/432496557.db2.gz PMDSXFQPJXXUJO-DLBZAZTESA-N 1 0 304.434 3.248 10 0 DGAERO COc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2)cc1NC(C)=O ZINC000154436627 432498057 /nfs/dbraw/zinc/49/80/57/432498057.db2.gz OKJKXLGIEPATML-LBPRGKRZSA-N 1 0 314.385 3.210 10 0 DGAERO CSc1ccc(CNC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000193813152 432500618 /nfs/dbraw/zinc/50/06/18/432500618.db2.gz VXIUCRCUVZBCDE-UHFFFAOYSA-N 1 0 321.490 3.084 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176207129 432500797 /nfs/dbraw/zinc/50/07/97/432500797.db2.gz ZSHDKIHAJWICNF-UONOGXRCSA-N 1 0 324.494 3.110 10 0 DGAERO CC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1nc(C)cs1 ZINC000176335844 432513051 /nfs/dbraw/zinc/51/30/51/432513051.db2.gz MSWILUZKUXYXRO-ZIAGYGMSSA-N 1 0 324.494 3.028 10 0 DGAERO CCCCN(CC)c1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000262811883 432503818 /nfs/dbraw/zinc/50/38/18/432503818.db2.gz OUYYLCOZNOCTSE-MAUKXSAKSA-N 1 0 317.477 3.041 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)c2ccccc2COc2ccccc2)CC[NH2+]1 ZINC000262814231 432503924 /nfs/dbraw/zinc/50/39/24/432503924.db2.gz GFFZLKXPBONEPZ-WBVHZDCISA-N 1 0 324.424 3.136 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(F)c(F)c1F ZINC000176256236 432504004 /nfs/dbraw/zinc/50/40/04/432504004.db2.gz IIFRMJWAJVUQGX-SNVBAGLBSA-N 1 0 315.339 3.052 10 0 DGAERO CCCCN(CC)c1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000262811885 432504051 /nfs/dbraw/zinc/50/40/51/432504051.db2.gz OUYYLCOZNOCTSE-YJBOKZPZSA-N 1 0 317.477 3.041 10 0 DGAERO CC(C)C[C@H](C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000185559206 432510563 /nfs/dbraw/zinc/51/05/63/432510563.db2.gz GTJUJLIILXRRCO-HNNXBMFYSA-N 1 0 303.450 3.096 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000154628094 432511643 /nfs/dbraw/zinc/51/16/43/432511643.db2.gz HVBGSGCIWUUICO-RDJZCZTQSA-N 1 0 320.477 3.389 10 0 DGAERO O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261907143 432460072 /nfs/dbraw/zinc/46/00/72/432460072.db2.gz FWHXMFIBFJOLEJ-KZNAEPCWSA-N 1 0 312.457 3.219 10 0 DGAERO Fc1cccc(Cc2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)c1 ZINC000261928916 432461277 /nfs/dbraw/zinc/46/12/77/432461277.db2.gz JEHCKZVRVRHRRF-YUELXQCFSA-N 1 0 301.365 3.393 10 0 DGAERO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185064907 432462585 /nfs/dbraw/zinc/46/25/85/432462585.db2.gz PZALSOGNBVKWCK-KRWDZBQOSA-N 1 0 322.412 3.412 10 0 DGAERO CCC[C@H](CC)NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000175762920 432462976 /nfs/dbraw/zinc/46/29/76/432462976.db2.gz DGMQTIDBGQMJKR-KRWDZBQOSA-N 1 0 317.477 3.137 10 0 DGAERO CN1C[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)CCC1=O ZINC000193297793 432463683 /nfs/dbraw/zinc/46/36/83/432463683.db2.gz MQYHWEYRYAALRS-NSHDSACASA-N 1 0 315.244 3.136 10 0 DGAERO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1cccs1 ZINC000175765518 432463671 /nfs/dbraw/zinc/46/36/71/432463671.db2.gz SMQWOBUZMSHBAJ-KKUMJFAQSA-N 1 0 323.506 3.051 10 0 DGAERO CCN(CCc1cccs1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261954182 432464540 /nfs/dbraw/zinc/46/45/40/432464540.db2.gz QKHSLPSVUGTQJK-KBMXLJTQSA-N 1 0 306.475 3.060 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)o1 ZINC000261963673 432465886 /nfs/dbraw/zinc/46/58/86/432465886.db2.gz LBUHXKCVTJKCKZ-QFRSUPTLSA-N 1 0 316.445 3.092 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cnc(N)s2)c1 ZINC000261976539 432466409 /nfs/dbraw/zinc/46/64/09/432466409.db2.gz IVOZHBGXOCWYMV-CQSZACIVSA-N 1 0 319.430 3.080 10 0 DGAERO C[C@]1(C[NH3+])CCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000262015462 432467394 /nfs/dbraw/zinc/46/73/94/432467394.db2.gz OJSJEEKMRBDFFU-HXUWFJFHSA-N 1 0 308.425 3.088 10 0 DGAERO Cc1cc2c(cc1C)O[C@H](c1nc(-c3ccc(C[NH3+])cc3)no1)C2 ZINC000262006854 432467437 /nfs/dbraw/zinc/46/74/37/432467437.db2.gz LXQWEDPONQGLBG-KRWDZBQOSA-N 1 0 321.380 3.488 10 0 DGAERO C[NH2+]C[C@H]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000261989816 432468612 /nfs/dbraw/zinc/46/86/12/432468612.db2.gz SYILJWUYBDNJPJ-LLVKDONJSA-N 1 0 315.339 3.169 10 0 DGAERO CC(C)C[C@@H](C)OCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154073519 432469625 /nfs/dbraw/zinc/46/96/25/432469625.db2.gz GSZUHPIGMRTKEX-QGZVFWFLSA-N 1 0 324.509 3.162 10 0 DGAERO CCCOc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000262025398 432469646 /nfs/dbraw/zinc/46/96/46/432469646.db2.gz YDOXCXVBZXXRPG-JQFCIGGWSA-N 1 0 302.418 3.335 10 0 DGAERO Fc1cccc(Cl)c1C[C@H]1CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000262033394 432470126 /nfs/dbraw/zinc/47/01/26/432470126.db2.gz XKFZPPRTPRTVPE-ZIAGYGMSSA-N 1 0 310.844 3.486 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000185156774 432470944 /nfs/dbraw/zinc/47/09/44/432470944.db2.gz CJBSSXDGGPHOPR-GJZGRUSLSA-N 1 0 324.415 3.147 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 ZINC000155317590 432549491 /nfs/dbraw/zinc/54/94/91/432549491.db2.gz HILOSZPXKCWYDM-KRWDZBQOSA-N 1 0 321.424 3.071 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 ZINC000155317486 432549531 /nfs/dbraw/zinc/54/95/31/432549531.db2.gz HILOSZPXKCWYDM-QGZVFWFLSA-N 1 0 321.424 3.071 10 0 DGAERO COc1cc(C[NH2+]CCCc2c(C)nn(C)c2C)ccc1C ZINC000194408834 432549834 /nfs/dbraw/zinc/54/98/34/432549834.db2.gz ZZDPJIBZGVNLJS-UHFFFAOYSA-N 1 0 301.434 3.076 10 0 DGAERO CS[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000176776069 432550936 /nfs/dbraw/zinc/55/09/36/432550936.db2.gz XJYYMWTZPDWCMQ-CVEARBPZSA-N 1 0 308.491 3.183 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000176816353 432555372 /nfs/dbraw/zinc/55/53/72/432555372.db2.gz DTOZWDPLOQRRJU-KGLIPLIRSA-N 1 0 321.440 3.217 10 0 DGAERO Cc1ccc(CCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC000155528808 432559200 /nfs/dbraw/zinc/55/92/00/432559200.db2.gz HVAGOVRCAFZJQD-FUHWJXTLSA-N 1 0 302.462 3.081 10 0 DGAERO CC(C)Sc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000155547611 432561001 /nfs/dbraw/zinc/56/10/01/432561001.db2.gz FHJQNJJVXXMKLF-OKILXGFUSA-N 1 0 306.475 3.352 10 0 DGAERO Cc1cccc(OCCCCC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1 ZINC000155569811 432562009 /nfs/dbraw/zinc/56/20/09/432562009.db2.gz PPFYOXXSDUWTET-CALCHBBNSA-N 1 0 318.461 3.095 10 0 DGAERO CSCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000194608316 432562335 /nfs/dbraw/zinc/56/23/35/432562335.db2.gz FYXISZDRRIGQEP-QGZVFWFLSA-N 1 0 320.502 3.329 10 0 DGAERO CCC[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccnc1 ZINC000186151544 432563884 /nfs/dbraw/zinc/56/38/84/432563884.db2.gz BXTFECZFAUXCPS-CYBMUJFWSA-N 1 0 312.339 3.465 10 0 DGAERO CCOCc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000176337079 432513684 /nfs/dbraw/zinc/51/36/84/432513684.db2.gz QQQUHBAWIBVTGS-QGZVFWFLSA-N 1 0 319.449 3.171 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000194630673 432564140 /nfs/dbraw/zinc/56/41/40/432564140.db2.gz RZBWDAXJXCKAGB-GFCCVEGCSA-N 1 0 315.244 3.136 10 0 DGAERO CC(C)COC[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000194032759 432519355 /nfs/dbraw/zinc/51/93/55/432519355.db2.gz CJIKIUGJHSCUEL-SJORKVTESA-N 1 0 311.853 3.414 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(C)(C)c1ccccc1 ZINC000154783571 432521332 /nfs/dbraw/zinc/52/13/32/432521332.db2.gz YCLRBADJKGHVKO-SJLPKXTDSA-N 1 0 314.473 3.440 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC)c3ccccc23)C1 ZINC000194635632 432564314 /nfs/dbraw/zinc/56/43/14/432564314.db2.gz XSLNSPZDRCDBAW-AWEZNQCLSA-N 1 0 312.413 3.063 10 0 DGAERO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000154854176 432525000 /nfs/dbraw/zinc/52/50/00/432525000.db2.gz AQFFHNRMZWKHRF-BBRMVZONSA-N 1 0 306.360 3.345 10 0 DGAERO CC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C(C)C ZINC000194092412 432525304 /nfs/dbraw/zinc/52/53/04/432525304.db2.gz ZZTAQSBODXVAJM-LLVKDONJSA-N 1 0 306.233 3.463 10 0 DGAERO CN(CC1CC1)C(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000194127459 432527336 /nfs/dbraw/zinc/52/73/36/432527336.db2.gz LCRBAESSWDELTM-QGZVFWFLSA-N 1 0 306.837 3.249 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194232366 432533820 /nfs/dbraw/zinc/53/38/20/432533820.db2.gz PQSXVVXLTAKIMW-UONOGXRCSA-N 1 0 314.433 3.410 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000194290493 432538867 /nfs/dbraw/zinc/53/88/67/432538867.db2.gz AMEPTHJWRXROFR-HNNXBMFYSA-N 1 0 324.424 3.325 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1(C)CCC1 ZINC000176650728 432540576 /nfs/dbraw/zinc/54/05/76/432540576.db2.gz QXHWPNVJGKUECW-UHFFFAOYSA-N 1 0 317.477 3.470 10 0 DGAERO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000176667922 432541700 /nfs/dbraw/zinc/54/17/00/432541700.db2.gz YOSKOBYJNHJWBW-JKSUJKDBSA-N 1 0 308.853 3.290 10 0 DGAERO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000155195154 432543374 /nfs/dbraw/zinc/54/33/74/432543374.db2.gz SDFVWZUJROKDBA-OKILXGFUSA-N 1 0 314.385 3.237 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000185893905 432543325 /nfs/dbraw/zinc/54/33/25/432543325.db2.gz HALNOIUDQDHZER-MSOLQXFVSA-N 1 0 315.461 3.059 10 0 DGAERO CCCOc1cccc(NC(=O)N[C@H]2CCC[N@H+](CC)C2)c1 ZINC000194334844 432543948 /nfs/dbraw/zinc/54/39/48/432543948.db2.gz YSXQSKBUQODKQC-HNNXBMFYSA-N 1 0 305.422 3.081 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C(C)C)C(C)C)[C@H](C)C1 ZINC000194353994 432544858 /nfs/dbraw/zinc/54/48/58/432544858.db2.gz LOIBQGBYSDBLDR-NVXWUHKLSA-N 1 0 311.514 3.286 10 0 DGAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3cn4cccnc4n3)C2)cc1 ZINC000155275577 432547649 /nfs/dbraw/zinc/54/76/49/432547649.db2.gz QEMJSHMACGANJI-ZBFHGGJFSA-N 1 0 322.412 3.116 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C/C=C/c3cccc(F)c3)CC[C@@H]21 ZINC000155276925 432547665 /nfs/dbraw/zinc/54/76/65/432547665.db2.gz IXBCUCGBULLITN-VTAQAIMTSA-N 1 0 316.420 3.172 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000156727081 432606107 /nfs/dbraw/zinc/60/61/07/432606107.db2.gz KHRTYNRVFXHIFA-IJEWVQPXSA-N 1 0 321.440 3.319 10 0 DGAERO Fc1ccc([C@@H]([NH2+][C@@H]2CCc3ncnn3C2)c2ccccc2)cc1 ZINC000177310866 432610265 /nfs/dbraw/zinc/61/02/65/432610265.db2.gz QERVXUOQQDXKJP-MJGOQNOKSA-N 1 0 322.387 3.111 10 0 DGAERO Cn1cc([C@@H]([NH2+][C@H]2CCCSC2)c2ccc(F)cc2)cn1 ZINC000186649857 432618116 /nfs/dbraw/zinc/61/81/16/432618116.db2.gz SXLURHKIDVTAMW-HOTGVXAUSA-N 1 0 305.422 3.134 10 0 DGAERO Cc1cc(C)n2c(C[NH2+]C3(c4cccc(F)c4)CC3)cnc2n1 ZINC000157064480 432613282 /nfs/dbraw/zinc/61/32/82/432613282.db2.gz AWPSCKQMCKQRHL-UHFFFAOYSA-N 1 0 310.376 3.264 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000176972829 432570902 /nfs/dbraw/zinc/57/09/02/432570902.db2.gz GWUOHDKATSTUOU-RHSMWYFYSA-N 1 0 306.425 3.262 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000155756570 432571670 /nfs/dbraw/zinc/57/16/70/432571670.db2.gz QDMQALFYTSMJLW-HZMBPMFUSA-N 1 0 315.244 3.452 10 0 DGAERO C[C@H](c1ccccn1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000176990671 432572344 /nfs/dbraw/zinc/57/23/44/432572344.db2.gz HCHHFMCZIQRESN-CQSZACIVSA-N 1 0 307.401 3.065 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(c2ccccc2)CCC1 ZINC000176979352 432573004 /nfs/dbraw/zinc/57/30/04/432573004.db2.gz GYUVZXQVPLYTBQ-QGZVFWFLSA-N 1 0 300.446 3.051 10 0 DGAERO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)s1 ZINC000177012579 432575793 /nfs/dbraw/zinc/57/57/93/432575793.db2.gz RGHMWPGCUPWJFH-GRYCIOLGSA-N 1 0 314.882 3.446 10 0 DGAERO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)s1 ZINC000177012625 432576654 /nfs/dbraw/zinc/57/66/54/432576654.db2.gz RGHMWPGCUPWJFH-SRVKXCTJSA-N 1 0 314.882 3.446 10 0 DGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000194809315 432578409 /nfs/dbraw/zinc/57/84/09/432578409.db2.gz VHRNCKSTWJLKDB-KGLIPLIRSA-N 1 0 322.449 3.001 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C/C=C/c1cccc(F)c1 ZINC000177030670 432578610 /nfs/dbraw/zinc/57/86/10/432578610.db2.gz UBPBANYZGVYPQI-ZGRWHYIRSA-N 1 0 304.409 3.172 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3ccc(C)c(OC)c3)CC2)[nH]1 ZINC000194878941 432584055 /nfs/dbraw/zinc/58/40/55/432584055.db2.gz BYOCBVQMZRIDBK-UHFFFAOYSA-N 1 0 314.433 3.064 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCc3ccc(F)cc32)CC1 ZINC000194944772 432589104 /nfs/dbraw/zinc/58/91/04/432589104.db2.gz IRLOPAHFJSBMIU-UHFFFAOYSA-N 1 0 319.424 3.020 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000156141075 432589217 /nfs/dbraw/zinc/58/92/17/432589217.db2.gz LIXIVBZPIXUZHD-JJRVBVJISA-N 1 0 317.433 3.094 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000177129490 432589399 /nfs/dbraw/zinc/58/93/99/432589399.db2.gz BOZYHQSNMVKLER-CMPLNLGQSA-N 1 0 311.788 3.180 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000177371171 432617438 /nfs/dbraw/zinc/61/74/38/432617438.db2.gz WCHDSDCHAOWILE-KRWDZBQOSA-N 1 0 307.409 3.091 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)C12CCOCC2 ZINC000186389234 432589955 /nfs/dbraw/zinc/58/99/55/432589955.db2.gz ROWIPJQMSHYFDA-HOTGVXAUSA-N 1 0 311.372 3.029 10 0 DGAERO Cc1nnc(CN2CC=C(c3ccc(F)cc3)CC2)n1C1CC1 ZINC000195041316 432596945 /nfs/dbraw/zinc/59/69/45/432596945.db2.gz CKDFLSHCYRKLRO-UHFFFAOYSA-N 1 0 312.392 3.350 10 0 DGAERO O=C(c1ccccc1Cc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195316182 432619581 /nfs/dbraw/zinc/61/95/81/432619581.db2.gz UESXWQXMIBJSDB-LJQANCHMSA-N 1 0 320.436 3.198 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cc2ccccc2o1 ZINC000177416076 432621618 /nfs/dbraw/zinc/62/16/18/432621618.db2.gz PTXNTRABCMJMNI-HNNXBMFYSA-N 1 0 315.417 3.059 10 0 DGAERO CCc1csc([C@H]2CCCN(CC(=O)OC(C)(C)C)C2)n1 ZINC000195442934 432623367 /nfs/dbraw/zinc/62/33/67/432623367.db2.gz NOOFYKLLSBPACR-LBPRGKRZSA-N 1 0 310.463 3.227 10 0 DGAERO c1ccc(CC[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000195510343 432624259 /nfs/dbraw/zinc/62/42/59/432624259.db2.gz SNLUOMSTKIWNBL-KRWDZBQOSA-N 1 0 310.445 3.384 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccccc1Cl ZINC000177441972 432624911 /nfs/dbraw/zinc/62/49/11/432624911.db2.gz FGTILVZGBONLTO-OAHLLOKOSA-N 1 0 323.868 3.008 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccccc1CCc1ccccc1 ZINC000186717303 432625088 /nfs/dbraw/zinc/62/50/88/432625088.db2.gz PDUNBNNREWXZAD-JXFKEZNVSA-N 1 0 322.452 3.200 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cccc(CC)c2)CC1 ZINC000157649693 432626240 /nfs/dbraw/zinc/62/62/40/432626240.db2.gz KSYSHUWOUOMWIO-UHFFFAOYSA-N 1 0 303.450 3.493 10 0 DGAERO C[C@@H](CC[NH2+]Cc1ccc(F)cc1C(F)(F)F)[S@@](C)=O ZINC000157654872 432626926 /nfs/dbraw/zinc/62/69/26/432626926.db2.gz DSPVGOFUXUSOLZ-LXGOIASLSA-N 1 0 311.344 3.091 10 0 DGAERO CCOc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000177534836 432635175 /nfs/dbraw/zinc/63/51/75/432635175.db2.gz QFPNCEDDNBWVLN-JKSUJKDBSA-N 1 0 317.433 3.176 10 0 DGAERO CC(F)(F)c1cccc(NC(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000187014264 432641395 /nfs/dbraw/zinc/64/13/95/432641395.db2.gz GYHQWWTXBPNTRL-UHFFFAOYSA-N 1 0 323.387 3.358 10 0 DGAERO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)cs1 ZINC000177608241 432642232 /nfs/dbraw/zinc/64/22/32/432642232.db2.gz FDMOOIBJFAZQOK-ZDUSSCGKSA-N 1 0 323.506 3.080 10 0 DGAERO [NH3+]C1CCC2(CC1)CCN(C(=O)OCc1ccccc1)CC2 ZINC000215452178 432643612 /nfs/dbraw/zinc/64/36/12/432643612.db2.gz UIGHLYAOUVDHOA-UHFFFAOYSA-N 1 0 302.418 3.307 10 0 DGAERO Cc1[nH+]c2c(Cl)cccc2c(N2C[C@@H](C)[C@H](C(N)=O)C2)c1C ZINC000291273796 282006416 /nfs/dbraw/zinc/00/64/16/282006416.db2.gz ZXJYAOGPWCYVMD-NOZJJQNGSA-N 1 0 317.820 3.063 10 0 DGAERO O=C(c1ccccc1Oc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195315062 432618309 /nfs/dbraw/zinc/61/83/09/432618309.db2.gz AWIPOHCPGALWJS-INIZCTEOSA-N 1 0 322.408 3.399 10 0 DGAERO Cc1ccc2cc(C(=O)NCC[N@H+]3CCCC[C@H]3C)ccc2n1 ZINC000159050526 432669066 /nfs/dbraw/zinc/66/90/66/432669066.db2.gz BKNOHPFUEJWURB-OAHLLOKOSA-N 1 0 311.429 3.147 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000158647696 432653430 /nfs/dbraw/zinc/65/34/30/432653430.db2.gz DLFJNHZSYNRQFL-KGLIPLIRSA-N 1 0 321.490 3.356 10 0 DGAERO CCCc1cc(N2CCO[C@]3(CCOC3)C2)c2ccccc2[nH+]1 ZINC000274354684 432654965 /nfs/dbraw/zinc/65/49/65/432654965.db2.gz BPMZLYKDSSDCPY-LJQANCHMSA-N 1 0 312.413 3.183 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187299140 432656051 /nfs/dbraw/zinc/65/60/51/432656051.db2.gz DRYSEEFCAHTZGZ-HOCLYGCPSA-N 1 0 320.502 3.395 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccccc1C ZINC000177754062 432656575 /nfs/dbraw/zinc/65/65/75/432656575.db2.gz CXYWWZSWSOSDFQ-CVEARBPZSA-N 1 0 318.486 3.172 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/c1ccc(F)cc1 ZINC000177762349 432659537 /nfs/dbraw/zinc/65/95/37/432659537.db2.gz DHPVNZWXLFOYBF-PLUODVSUSA-N 1 0 316.420 3.314 10 0 DGAERO c1coc(-c2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)cs2)c1 ZINC000177773508 432659845 /nfs/dbraw/zinc/65/98/45/432659845.db2.gz NKBBYKPWBOTTPA-CQSZACIVSA-N 1 0 303.431 3.073 10 0 DGAERO Fc1ccccc1-c1cnc(CN2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000177768578 432659868 /nfs/dbraw/zinc/65/98/68/432659868.db2.gz QLPMUCAYMUNPRI-CQSZACIVSA-N 1 0 315.392 3.151 10 0 DGAERO c1cc2c(ncnc2N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000264650546 432662266 /nfs/dbraw/zinc/66/22/66/432662266.db2.gz WZZZUBCBTCPUKL-CYBMUJFWSA-N 1 0 302.447 3.146 10 0 DGAERO Cc1ccc(C(C)(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000158982779 432664632 /nfs/dbraw/zinc/66/46/32/432664632.db2.gz BVZIQYKAZZQHDY-DOTOQJQBSA-N 1 0 302.462 3.118 10 0 DGAERO COC[C@@H](C)C[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000187455507 432666147 /nfs/dbraw/zinc/66/61/47/432666147.db2.gz UKWNZIKVEJFCSZ-HNNXBMFYSA-N 1 0 313.445 3.378 10 0 DGAERO COc1ccc(OC)c(C[N@H+](CCOCC2CC2)C2CC2)c1 ZINC000159029993 432667011 /nfs/dbraw/zinc/66/70/11/432667011.db2.gz UDMSYUXYQJZBFM-UHFFFAOYSA-N 1 0 305.418 3.095 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)s1 ZINC000187928985 432693413 /nfs/dbraw/zinc/69/34/13/432693413.db2.gz ZCWDBBZBZCOHGL-ZANVPECISA-N 1 0 322.396 3.453 10 0 DGAERO CC(C)c1noc(CCC[NH2+][C@H](C)Cc2ccccc2F)n1 ZINC000187936318 432693476 /nfs/dbraw/zinc/69/34/76/432693476.db2.gz ZLCCTNAKWPINLC-CYBMUJFWSA-N 1 0 305.397 3.486 10 0 DGAERO CCn1c2cccc(F)c2nc1C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187928713 432693614 /nfs/dbraw/zinc/69/36/14/432693614.db2.gz BRBNUBLXMAUAOF-UGSOOPFHSA-N 1 0 319.424 3.178 10 0 DGAERO C[C@H]1CCCCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000187935534 432693693 /nfs/dbraw/zinc/69/36/93/432693693.db2.gz HORXUCCSSOXXOX-NSHDSACASA-N 1 0 317.458 3.095 10 0 DGAERO Cc1cc(C(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c(C)n1C1CC1 ZINC000188003487 432698067 /nfs/dbraw/zinc/69/80/67/432698067.db2.gz PELIIMWDHVHOEU-ORAYPTAESA-N 1 0 318.461 3.105 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccnc1 ZINC000225811516 432698659 /nfs/dbraw/zinc/69/86/59/432698659.db2.gz IOKADOMQKOAMPY-UHFFFAOYSA-N 1 0 307.438 3.255 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CC2(CCO)CC2)ccc1OC(F)F ZINC000188044190 432700696 /nfs/dbraw/zinc/70/06/96/432700696.db2.gz PIUGWQWFMVUUSX-LLVKDONJSA-N 1 0 315.360 3.110 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000188043898 432700761 /nfs/dbraw/zinc/70/07/61/432700761.db2.gz WROOJCYTWZNSBD-RUENVJTFSA-N 1 0 300.446 3.131 10 0 DGAERO C[C@H]([NH2+]CC1(CCO)CC1)c1cccc(OC(F)(F)F)c1 ZINC000188053292 432702047 /nfs/dbraw/zinc/70/20/47/432702047.db2.gz WXMRJFWQOLSURS-NSHDSACASA-N 1 0 303.324 3.398 10 0 DGAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(F)cc1OC(F)F ZINC000188072060 432702089 /nfs/dbraw/zinc/70/20/89/432702089.db2.gz SMASZIIYZDBRGN-SNVBAGLBSA-N 1 0 303.324 3.240 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C1(Cc2ccccc2Cl)CC1 ZINC000188077368 432703885 /nfs/dbraw/zinc/70/38/85/432703885.db2.gz VLSYDTWHUFJERI-OKILXGFUSA-N 1 0 320.864 3.214 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000226653780 432707795 /nfs/dbraw/zinc/70/77/95/432707795.db2.gz LCEYWUGCANZGBB-HZSPNIEDSA-N 1 0 322.453 3.096 10 0 DGAERO COC[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000188148879 432707907 /nfs/dbraw/zinc/70/79/07/432707907.db2.gz VAMIQAWYISJRRK-MNOVXSKESA-N 1 0 318.230 3.391 10 0 DGAERO C[N@H+](CCCCCO)CCOc1c(Cl)cccc1Cl ZINC000227119461 432709295 /nfs/dbraw/zinc/70/92/95/432709295.db2.gz RFYCUUOWBNWSGY-UHFFFAOYSA-N 1 0 306.233 3.467 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000188224180 432712773 /nfs/dbraw/zinc/71/27/73/432712773.db2.gz ZCHHWAXSFIYQDD-KZYLPZIUSA-N 1 0 309.498 3.375 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1C ZINC000188325194 432717898 /nfs/dbraw/zinc/71/78/98/432717898.db2.gz VSGKVQVEAZRDKR-YGRLFVJLSA-N 1 0 303.324 3.284 10 0 DGAERO COC[C@H]([NH2+]Cc1c(C)oc2ccccc21)C1CCOCC1 ZINC000188478180 432726646 /nfs/dbraw/zinc/72/66/46/432726646.db2.gz QSQFKTBBKUDDEG-KRWDZBQOSA-N 1 0 303.402 3.272 10 0 DGAERO C[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000265131224 432670254 /nfs/dbraw/zinc/67/02/54/432670254.db2.gz ISWADWMSNAWGED-GDBMZVCRSA-N 1 0 317.454 3.245 10 0 DGAERO c1ccc2c(c1)CC([NH2+][C@H]1CCOC3(CCSCC3)C1)C2 ZINC000222332018 432671689 /nfs/dbraw/zinc/67/16/89/432671689.db2.gz ADRISHLWRWLZRO-INIZCTEOSA-N 1 0 303.471 3.188 10 0 DGAERO CCC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccn1 ZINC000159177075 432673999 /nfs/dbraw/zinc/67/39/99/432673999.db2.gz WBWFLNFRGHCAOD-LPHOPBHVSA-N 1 0 317.477 3.013 10 0 DGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCNC(=O)c1ccccc1 ZINC000178023331 432684626 /nfs/dbraw/zinc/68/46/26/432684626.db2.gz XEDRZPCLZPXPJH-IBGZPJMESA-N 1 0 324.424 3.092 10 0 DGAERO CCc1nc(C)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)s1 ZINC000178020030 432685166 /nfs/dbraw/zinc/68/51/66/432685166.db2.gz IZPJHVWOACZKBI-GFCCVEGCSA-N 1 0 317.458 3.095 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([C@@H](C)OC)c2)C1 ZINC000178028233 432686247 /nfs/dbraw/zinc/68/62/47/432686247.db2.gz AOHOSNDEJDLFQY-CABCVRRESA-N 1 0 319.449 3.200 10 0 DGAERO CCC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1 ZINC000178047833 432688401 /nfs/dbraw/zinc/68/84/01/432688401.db2.gz DKJLPPCYQLXJPJ-QGZVFWFLSA-N 1 0 307.401 3.293 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000187845042 432688578 /nfs/dbraw/zinc/68/85/78/432688578.db2.gz QDTSFBSHVGPLON-WMLDXEAASA-N 1 0 307.434 3.320 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc21 ZINC000178054868 432689598 /nfs/dbraw/zinc/68/95/98/432689598.db2.gz LTIJLUJZZULRIG-RDTXWAMCSA-N 1 0 319.412 3.391 10 0 DGAERO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187856305 432689799 /nfs/dbraw/zinc/68/97/99/432689799.db2.gz QKIWADSRCYZOKZ-LSDHHAIUSA-N 1 0 304.434 3.259 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1NC(C)=O ZINC000187870907 432690226 /nfs/dbraw/zinc/69/02/26/432690226.db2.gz GPHSUJVKOCRQQM-DOMZBBRYSA-N 1 0 320.433 3.262 10 0 DGAERO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccoc1 ZINC000178528195 432748785 /nfs/dbraw/zinc/74/87/85/432748785.db2.gz DPBVIULXTHPVFR-OAHLLOKOSA-N 1 0 312.413 3.483 10 0 DGAERO C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccoc1 ZINC000178528182 432749155 /nfs/dbraw/zinc/74/91/55/432749155.db2.gz DPBVIULXTHPVFR-HNNXBMFYSA-N 1 0 312.413 3.483 10 0 DGAERO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178579938 432754329 /nfs/dbraw/zinc/75/43/29/432754329.db2.gz HOOHBUINDPZIPJ-LSDHHAIUSA-N 1 0 324.490 3.169 10 0 DGAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(CO)c(F)c1 ZINC000178566695 432754378 /nfs/dbraw/zinc/75/43/78/432754378.db2.gz ICPYUGSAQWHMOE-LJQANCHMSA-N 1 0 315.388 3.494 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1F ZINC000236681640 432756768 /nfs/dbraw/zinc/75/67/68/432756768.db2.gz OGVQSLKREYYXKI-COXVUDFISA-N 1 0 318.436 3.140 10 0 DGAERO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000188990969 432757233 /nfs/dbraw/zinc/75/72/33/432757233.db2.gz RJJWZIPCJPBRMF-IBGZPJMESA-N 1 0 321.424 3.078 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@H](CO)Cc2ccc(C)cc2)cc1 ZINC000188984731 432757375 /nfs/dbraw/zinc/75/73/75/432757375.db2.gz QRHCMKMADKSROR-APWZRJJASA-N 1 0 313.441 3.300 10 0 DGAERO COc1ccc2[nH]c(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2c1 ZINC000189056333 432760242 /nfs/dbraw/zinc/76/02/42/432760242.db2.gz WWASYXYNILRVBF-UHFFFAOYSA-N 1 0 323.396 3.490 10 0 DGAERO Clc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000178635397 432762024 /nfs/dbraw/zinc/76/20/24/432762024.db2.gz AXGIMPQACLVKLN-CQSZACIVSA-N 1 0 301.821 3.168 10 0 DGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000236744888 432761963 /nfs/dbraw/zinc/76/19/63/432761963.db2.gz AOBUOAWJDDUVDE-WMZOPIPTSA-N 1 0 302.462 3.328 10 0 DGAERO CCCC[C@H](CC)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189062306 432762358 /nfs/dbraw/zinc/76/23/58/432762358.db2.gz XFHPXDGHNXLTSP-IRXDYDNUSA-N 1 0 306.425 3.485 10 0 DGAERO C[C@@H]1C(=O)NCCCN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000189073341 432762455 /nfs/dbraw/zinc/76/24/55/432762455.db2.gz LYSYRUXKWGUYNS-GFCCVEGCSA-N 1 0 318.804 3.310 10 0 DGAERO COc1cc(-c2ccccc2)ccc1CN1CCCNC(=O)[C@H]1C ZINC000189102318 432763399 /nfs/dbraw/zinc/76/33/99/432763399.db2.gz CLRLZFKYXTUISV-OAHLLOKOSA-N 1 0 324.424 3.073 10 0 DGAERO CCc1cccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000189135841 432765051 /nfs/dbraw/zinc/76/50/51/432765051.db2.gz MAIFMFJZNJEGHP-GOSISDBHSA-N 1 0 310.445 3.140 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1ccc(-n2cncn2)cc1 ZINC000178758091 432774461 /nfs/dbraw/zinc/77/44/61/432774461.db2.gz JDIKZPQXVNMNIP-ZIAGYGMSSA-N 1 0 308.385 3.385 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1cccc(O)c1 ZINC000178758084 432774922 /nfs/dbraw/zinc/77/49/22/432774922.db2.gz JDIKZPQXVNMNIP-UONOGXRCSA-N 1 0 308.385 3.385 10 0 DGAERO C[C@H](CCC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000178784348 432776347 /nfs/dbraw/zinc/77/63/47/432776347.db2.gz VYPUBVUTIDINSX-MRXNPFEDSA-N 1 0 300.446 3.267 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@H]3CCC[NH2+]3)C2)n1 ZINC000178813135 432778895 /nfs/dbraw/zinc/77/88/95/432778895.db2.gz YCRPIAKMZQGFOH-ZIAGYGMSSA-N 1 0 321.490 3.115 10 0 DGAERO COCCC[C@@H](C)[NH2+][C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000178426779 432735548 /nfs/dbraw/zinc/73/55/48/432735548.db2.gz MICVWSBZZVONLC-CVEARBPZSA-N 1 0 306.450 3.069 10 0 DGAERO Cc1ccc2c(CC[NH2+][C@H](C)CCn3cccn3)cn(C)c2c1 ZINC000188695230 432740500 /nfs/dbraw/zinc/74/05/00/432740500.db2.gz XHBVEKRJZGTJDS-MRXNPFEDSA-N 1 0 310.445 3.294 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCc2cscn2)cc1NC(C)=O ZINC000178471498 432740669 /nfs/dbraw/zinc/74/06/69/432740669.db2.gz PFGAPDNPKFPANX-NSHDSACASA-N 1 0 319.430 3.003 10 0 DGAERO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000235219079 432741790 /nfs/dbraw/zinc/74/17/90/432741790.db2.gz SFRISMVIZSTRMW-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000235603585 432744249 /nfs/dbraw/zinc/74/42/49/432744249.db2.gz SGMFXFYHEPNAGD-PRHODGIISA-N 1 0 304.615 3.370 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000188779940 432745208 /nfs/dbraw/zinc/74/52/08/432745208.db2.gz FXGOWPKNLBYMGX-UONOGXRCSA-N 1 0 323.400 3.083 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000188779962 432745838 /nfs/dbraw/zinc/74/58/38/432745838.db2.gz FXGOWPKNLBYMGX-ZIAGYGMSSA-N 1 0 323.400 3.083 10 0 DGAERO CSCCCC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162333377 432820253 /nfs/dbraw/zinc/82/02/53/432820253.db2.gz RDHITSLGLUJQQI-SFHVURJKSA-N 1 0 320.502 3.301 10 0 DGAERO CCC[C@H](C(=O)N1CC[C@@H](CSc2ccccc2)C1)[NH+](C)C ZINC000162338274 432820622 /nfs/dbraw/zinc/82/06/22/432820622.db2.gz HGVLIPIQWXHUQA-NVXWUHKLSA-N 1 0 320.502 3.358 10 0 DGAERO C[C@@H](C(=O)N1CCC[C@@H](C(F)(F)F)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203579 432825234 /nfs/dbraw/zinc/82/52/34/432825234.db2.gz SSXBXWWFIGPTBJ-QNWHQSFQSA-N 1 0 306.372 3.049 10 0 DGAERO CC(C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245419210 432827792 /nfs/dbraw/zinc/82/77/92/432827792.db2.gz AVILRWXIFCHFPY-ZIAGYGMSSA-N 1 0 320.399 3.155 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)c(F)c1 ZINC000245429709 432829343 /nfs/dbraw/zinc/82/93/43/432829343.db2.gz KXAFPPNGEGBODI-CABCVRRESA-N 1 0 305.397 3.225 10 0 DGAERO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)N1CCC[C@@H](C(F)(F)F)C1 ZINC000245438869 432830458 /nfs/dbraw/zinc/83/04/58/432830458.db2.gz FPQCGOMILKDNQA-BFHYXJOUSA-N 1 0 318.383 3.052 10 0 DGAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[C@@H](C)c1ccccc1 ZINC000245458506 432832960 /nfs/dbraw/zinc/83/29/60/432832960.db2.gz CXULNRRTGYQVBF-DFGXFYAUSA-N 1 0 315.461 3.057 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000245457214 432833063 /nfs/dbraw/zinc/83/30/63/432833063.db2.gz UGBZKEGRXUTIGT-IIAWOOMASA-N 1 0 302.418 3.287 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000245471206 432835289 /nfs/dbraw/zinc/83/52/89/432835289.db2.gz NRKAMFBAAPQLCP-OLZOCXBDSA-N 1 0 320.462 3.275 10 0 DGAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ncc(Cl)cc1Br ZINC000162830498 432835364 /nfs/dbraw/zinc/83/53/64/432835364.db2.gz QNISGPYNIRKHKM-GMSGAONNSA-N 1 0 304.619 3.050 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncc(Cl)cc1Br ZINC000162830623 432835419 /nfs/dbraw/zinc/83/54/19/432835419.db2.gz QNISGPYNIRKHKM-OIBJUYFYSA-N 1 0 304.619 3.050 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)c1nc(C(C)(C)C)no1)CC2 ZINC000245485138 432836836 /nfs/dbraw/zinc/83/68/36/432836836.db2.gz IVCGANNTXYWMIZ-ZNMIVQPWSA-N 1 0 320.481 3.375 10 0 DGAERO CC[C@@H](C)C[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245498193 432837559 /nfs/dbraw/zinc/83/75/59/432837559.db2.gz VPNJQQUTHCYTBF-TWMKSMIVSA-N 1 0 309.498 3.468 10 0 DGAERO CCCCc1noc([C@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000245499387 432837638 /nfs/dbraw/zinc/83/76/38/432837638.db2.gz YACJCFBVFORLLX-XHSDSOJGSA-N 1 0 320.481 3.420 10 0 DGAERO Fc1cc(-c2ccncc2)ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000178888820 432785327 /nfs/dbraw/zinc/78/53/27/432785327.db2.gz XLVPKQXTFDJHQU-AWEZNQCLSA-N 1 0 300.377 3.404 10 0 DGAERO [NH3+][C@@H](CNC(=O)C[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000178878933 432785375 /nfs/dbraw/zinc/78/53/75/432785375.db2.gz RHIFLWYOTARFSN-HKUYNNGSSA-N 1 0 308.425 3.313 10 0 DGAERO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000178897255 432786636 /nfs/dbraw/zinc/78/66/36/432786636.db2.gz RZIRUMACJKVAPQ-YXJHDRRASA-N 1 0 319.493 3.223 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cncn1)CCC2 ZINC000178951738 432790503 /nfs/dbraw/zinc/79/05/03/432790503.db2.gz TVRJGOIAFDGTKR-GOSISDBHSA-N 1 0 319.412 3.138 10 0 DGAERO O[C@@]1(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CCc2ccccc21 ZINC000179006684 432795692 /nfs/dbraw/zinc/79/56/92/432795692.db2.gz OMLLZWDPWPGFAU-HXUWFJFHSA-N 1 0 319.408 3.000 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+]C3CC(OC(C)C)C3)C2)c1 ZINC000189529274 432796788 /nfs/dbraw/zinc/79/67/88/432796788.db2.gz LVADFFMMTMQLMM-MDCZIUGASA-N 1 0 318.461 3.067 10 0 DGAERO Cc1cccc(-c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)c1 ZINC000237812109 432800273 /nfs/dbraw/zinc/80/02/73/432800273.db2.gz ROXYBUUZEGHTLF-OALUTQOASA-N 1 0 308.425 3.406 10 0 DGAERO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000189581725 432800748 /nfs/dbraw/zinc/80/07/48/432800748.db2.gz TZHLATOMKIGNOJ-QFBILLFUSA-N 1 0 302.462 3.343 10 0 DGAERO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000189581706 432801030 /nfs/dbraw/zinc/80/10/30/432801030.db2.gz TZHLATOMKIGNOJ-LPHOPBHVSA-N 1 0 302.462 3.343 10 0 DGAERO Cc1cc(-c2csc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)n2)c(C)o1 ZINC000237881612 432802665 /nfs/dbraw/zinc/80/26/65/432802665.db2.gz LIEDUARGKGCFCF-QWRGUYRKSA-N 1 0 305.403 3.086 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000237927824 432804643 /nfs/dbraw/zinc/80/46/43/432804643.db2.gz HGWABHMWPVWMKR-DZGCQCFKSA-N 1 0 316.376 3.333 10 0 DGAERO Cc1cccc(CN(Cc2ccccn2)C(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237940826 432805822 /nfs/dbraw/zinc/80/58/22/432805822.db2.gz RCUJXWISFYMUNF-ZWKOTPCHSA-N 1 0 323.440 3.046 10 0 DGAERO Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@H](Cn3cncn3)C1)CCC2 ZINC000245519928 432838745 /nfs/dbraw/zinc/83/87/45/432838745.db2.gz SNGSRSGJALQSRR-KDOFPFPSSA-N 1 0 314.408 3.207 10 0 DGAERO Cc1ccc([C@@H](C[NH2+]Cc2ccc3c[nH]nc3c2)N2CCCC2)o1 ZINC000237975332 432806791 /nfs/dbraw/zinc/80/67/91/432806791.db2.gz HXZWRUHRCCJHSW-GOSISDBHSA-N 1 0 324.428 3.391 10 0 DGAERO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(c2ccccc2)CC1 ZINC000237977174 432806860 /nfs/dbraw/zinc/80/68/60/432806860.db2.gz LKGYMZFUIUKJMZ-QYZOEREBSA-N 1 0 312.457 3.313 10 0 DGAERO CC[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1Cl ZINC000162080180 432810269 /nfs/dbraw/zinc/81/02/69/432810269.db2.gz DRDQFGXSIJHRCP-HZSPNIEDSA-N 1 0 324.852 3.131 10 0 DGAERO CC(C)[N@H+](CCOCC(F)(F)C(F)(F)F)C1CCOCC1 ZINC000189686728 432811015 /nfs/dbraw/zinc/81/10/15/432811015.db2.gz IXDFKDSUCMAPJL-UHFFFAOYSA-N 1 0 319.314 3.090 10 0 DGAERO COc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1OC(F)F ZINC000189720478 432813159 /nfs/dbraw/zinc/81/31/59/432813159.db2.gz ZGWPQLJRZQDRNA-GFCCVEGCSA-N 1 0 315.360 3.344 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)O1 ZINC000189724777 432813863 /nfs/dbraw/zinc/81/38/63/432813863.db2.gz ZEOVEJXIYLFTCC-CQSZACIVSA-N 1 0 306.425 3.473 10 0 DGAERO c1c2ccccc2oc1CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189729105 432814469 /nfs/dbraw/zinc/81/44/69/432814469.db2.gz LDNMBCWFBLYRGR-UHFFFAOYSA-N 1 0 322.412 3.356 10 0 DGAERO CCOc1c(OC)cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1OC ZINC000189739055 432815786 /nfs/dbraw/zinc/81/57/86/432815786.db2.gz RVVMPKAPBLJFGR-AWEZNQCLSA-N 1 0 323.433 3.150 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000245749977 432860796 /nfs/dbraw/zinc/86/07/96/432860796.db2.gz NQIVXNAKJRLAHZ-MEDUHNTESA-N 1 0 300.368 3.266 10 0 DGAERO CCCOc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000245772189 432862356 /nfs/dbraw/zinc/86/23/56/432862356.db2.gz RZYSJCXYKZUOHL-NVXWUHKLSA-N 1 0 318.461 3.153 10 0 DGAERO CC(C)OCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245837039 432865286 /nfs/dbraw/zinc/86/52/86/432865286.db2.gz HGZBHSIXMFWSKO-RDJZCZTQSA-N 1 0 324.852 3.017 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nc(CC)nc32)C12CCCC2 ZINC000245853300 432865302 /nfs/dbraw/zinc/86/53/02/432865302.db2.gz GQJVHDBIHRQMSR-QLFBSQMISA-N 1 0 318.465 3.003 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(C)(C)c3ccccc3)[C@@H]2C1 ZINC000245871301 432867163 /nfs/dbraw/zinc/86/71/63/432867163.db2.gz RPSVJHADYMABRD-KZNAEPCWSA-N 1 0 303.446 3.233 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2COC)[C@@H](C)C1 ZINC000245957842 432872204 /nfs/dbraw/zinc/87/22/04/432872204.db2.gz CHOVMRXPVLWGMC-YOEHRIQHSA-N 1 0 319.449 3.027 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245972978 432873552 /nfs/dbraw/zinc/87/35/52/432873552.db2.gz FUVLPXIEXGRQQI-XJKSGUPXSA-N 1 0 307.413 3.328 10 0 DGAERO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000245994492 432873982 /nfs/dbraw/zinc/87/39/82/432873982.db2.gz BAYJWSSUSLGNOX-ZIAGYGMSSA-N 1 0 318.383 3.052 10 0 DGAERO C[N@H+](CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000246006882 432874361 /nfs/dbraw/zinc/87/43/61/432874361.db2.gz GFRWMZGCVCCFFY-GJZGRUSLSA-N 1 0 322.399 3.059 10 0 DGAERO C[C@H](OC1CCCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246011781 432874713 /nfs/dbraw/zinc/87/47/13/432874713.db2.gz LIMNYVRNGJZGPR-HRCADAONSA-N 1 0 310.482 3.055 10 0 DGAERO Cc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245534554 432839907 /nfs/dbraw/zinc/83/99/07/432839907.db2.gz WBGISZLSPMVIJN-BQFCYCMXSA-N 1 0 302.462 3.115 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)[C@@H]1COc2ccccc21 ZINC000162968564 432840202 /nfs/dbraw/zinc/84/02/02/432840202.db2.gz ALMWOIBRZNFJDX-KEYYUXOJSA-N 1 0 310.397 3.168 10 0 DGAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1scnc1C1CC1 ZINC000245543238 432841271 /nfs/dbraw/zinc/84/12/71/432841271.db2.gz ADFUSNPZAYCZEH-UPJWGTAASA-N 1 0 321.490 3.117 10 0 DGAERO COc1cccc([C@H]2[C@@H](NC(=O)C=C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000245558190 432844696 /nfs/dbraw/zinc/84/46/96/432844696.db2.gz VMMCPSLZDAZUEJ-HKUYNNGSSA-N 1 0 314.429 3.055 10 0 DGAERO C[C@@H](Cc1ccccc1Cl)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245563008 432845418 /nfs/dbraw/zinc/84/54/18/432845418.db2.gz VQXYKNKAHRLFCH-HOCLYGCPSA-N 1 0 320.864 3.215 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CCN1C ZINC000245620153 432850372 /nfs/dbraw/zinc/85/03/72/432850372.db2.gz WKDWDGNNNDPVNN-NKGKWGDASA-N 1 0 321.896 3.158 10 0 DGAERO C[C@H](C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000163366375 432850816 /nfs/dbraw/zinc/85/08/16/432850816.db2.gz KCQLCABDTJGBEZ-KXBFYZLASA-N 1 0 300.446 3.203 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CCC[C@H](C)C1)CC2 ZINC000245651821 432852588 /nfs/dbraw/zinc/85/25/88/432852588.db2.gz BZPVWZPBUXJEFI-NXOAAHMSSA-N 1 0 307.482 3.222 10 0 DGAERO Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245673597 432854463 /nfs/dbraw/zinc/85/44/63/432854463.db2.gz SQSIYTYLYXBAAC-MOPGFXCFSA-N 1 0 323.440 3.240 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC000245690303 432856721 /nfs/dbraw/zinc/85/67/21/432856721.db2.gz AFPLUQILCVHAOS-QZTJIDSGSA-N 1 0 300.446 3.123 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000296820641 432928469 /nfs/dbraw/zinc/92/84/69/432928469.db2.gz NIDGSFJKQPNTPL-CABZTGNLSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCC(C)(C)c1ccccc1 ZINC000155244033 292702586 /nfs/dbraw/zinc/70/25/86/292702586.db2.gz ICXGWBKBTCKGKP-HZPDHXFCSA-N 1 0 302.462 3.295 10 0 DGAERO C[N@H+](CCCCO)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000349936776 433037363 /nfs/dbraw/zinc/03/73/63/433037363.db2.gz QLGWCBQEQVAXPG-UHFFFAOYSA-N 1 0 319.232 3.026 10 0 DGAERO c1ccc(CN2CC[C@@H]([N@@H+]3CCCC4(CCOCC4)C3)C2)cc1 ZINC000298000759 433038503 /nfs/dbraw/zinc/03/85/03/433038503.db2.gz ZLYIPYYPHXUJDH-LJQANCHMSA-N 1 0 314.473 3.154 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000333199175 433039398 /nfs/dbraw/zinc/03/93/98/433039398.db2.gz XCIBFDMEHATPIX-JQWIXIFHSA-N 1 0 308.451 3.144 10 0 DGAERO c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000341367677 433039525 /nfs/dbraw/zinc/03/95/25/433039525.db2.gz AEINZUYNLJUYCA-RCCFBDPRSA-N 1 0 315.461 3.081 10 0 DGAERO [NH3+]Cc1cccnc1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000333253029 433043719 /nfs/dbraw/zinc/04/37/19/433043719.db2.gz CUAODHJXRUALFU-KCQAQPDRSA-N 1 0 302.422 3.021 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+]CCc1cc(F)ccc1F ZINC000157235580 292742205 /nfs/dbraw/zinc/74/22/05/292742205.db2.gz NGKISVOVOFWWNT-KRWDZBQOSA-N 1 0 305.368 3.355 10 0 DGAERO CCc1ncc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000453385481 433138270 /nfs/dbraw/zinc/13/82/70/433138270.db2.gz NLMOQMPNKNHLEZ-CRAIPNDOSA-N 1 0 313.445 3.237 10 0 DGAERO c1ccc(COCCC[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000373258633 433146933 /nfs/dbraw/zinc/14/69/33/433146933.db2.gz IDLJDHOFPXNFRC-SFHVURJKSA-N 1 0 311.429 3.263 10 0 DGAERO c1c(C[NH2+]CC2(Sc3ccccc3)CC2)nc2ncccn12 ZINC000298372215 433110317 /nfs/dbraw/zinc/11/03/17/433110317.db2.gz KSTLLCRLMQJVSL-UHFFFAOYSA-N 1 0 310.426 3.144 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@H](C)c1cc(Br)cs1 ZINC000336676152 433171531 /nfs/dbraw/zinc/17/15/31/433171531.db2.gz CGUUVAMAQOJFAE-KOLCDFICSA-N 1 0 322.268 3.213 10 0 DGAERO Cc1nccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000374519055 433210057 /nfs/dbraw/zinc/21/00/57/433210057.db2.gz IUSYGNWAKATLRZ-LJQANCHMSA-N 1 0 324.472 3.175 10 0 DGAERO FCCCC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000336682078 433176895 /nfs/dbraw/zinc/17/68/95/433176895.db2.gz BSPHOWZIYBKZEU-UHFFFAOYSA-N 1 0 302.187 3.223 10 0 DGAERO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000447500978 433205560 /nfs/dbraw/zinc/20/55/60/433205560.db2.gz MXKNFPZTOYWRGM-IXDOHACOSA-N 1 0 324.509 3.208 10 0 DGAERO c1cn2c(cccc2C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)n1 ZINC000374498378 433205657 /nfs/dbraw/zinc/20/56/57/433205657.db2.gz VCLVZARTTLWZQA-LPHOPBHVSA-N 1 0 307.397 3.202 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)CC1CCCC1)CC2 ZINC000354670141 433211864 /nfs/dbraw/zinc/21/18/64/433211864.db2.gz VAMWDATXENFWMO-FQEVSTJZSA-N 1 0 315.457 3.231 10 0 DGAERO CC[N@@H+]1CC[C@H](CNCc2sc(C)cc2Br)C1 ZINC000453591241 433220382 /nfs/dbraw/zinc/22/03/82/433220382.db2.gz PTCTXLTWSZCXSC-LLVKDONJSA-N 1 0 317.296 3.250 10 0 DGAERO CC(C)[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)C1(CO)CCCC1 ZINC000453614368 433241971 /nfs/dbraw/zinc/24/19/71/433241971.db2.gz MGGBDQLYDJBAFA-QGZVFWFLSA-N 1 0 317.433 3.337 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(Br)o1 ZINC000350728168 433270444 /nfs/dbraw/zinc/27/04/44/433270444.db2.gz GQTFZMVNMQCVGZ-NEPJUHHUSA-N 1 0 313.239 3.101 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCN1CCCC1=O ZINC000338138642 433278594 /nfs/dbraw/zinc/27/85/94/433278594.db2.gz FGQFCJGMYMMYTD-WYMLVPIESA-N 1 0 306.837 3.345 10 0 DGAERO C[C@H]1CCOCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000374995919 433326500 /nfs/dbraw/zinc/32/65/00/433326500.db2.gz FPLMEOIYWYUYJL-LBPRGKRZSA-N 1 0 321.808 3.043 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(-c4ccc5c(c4)COC5)n3)cc12 ZINC000351087268 433368292 /nfs/dbraw/zinc/36/82/92/433368292.db2.gz MWKHCFLDOBDCEV-UHFFFAOYSA-N 1 0 304.309 3.082 10 0 DGAERO Clc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(Cl)n1 ZINC000300257446 433392284 /nfs/dbraw/zinc/39/22/84/433392284.db2.gz FSLYSTZYULEDPR-LBPRGKRZSA-N 1 0 300.233 3.059 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448433829 433408683 /nfs/dbraw/zinc/40/86/83/433408683.db2.gz OCSDUNKGLOSZBR-SJLPKXTDSA-N 1 0 324.509 3.256 10 0 DGAERO c1ccc2c(c1)ncnc2N1CC[NH+](CC2CCCCC2)CC1 ZINC000301096525 433412175 /nfs/dbraw/zinc/41/21/75/433412175.db2.gz MKSBLZDNSHEOSN-UHFFFAOYSA-N 1 0 310.445 3.332 10 0 DGAERO C[C@@H]1CCC[C@](CNc2ccc(S(C)(=O)=O)cc2)([NH+](C)C)C1 ZINC000301107071 433416907 /nfs/dbraw/zinc/41/69/07/433416907.db2.gz UOWOCAJVLNDVHZ-PBHICJAKSA-N 1 0 324.490 3.013 10 0 DGAERO c1cc2c(cccc2C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)[nH]1 ZINC000375406247 433454112 /nfs/dbraw/zinc/45/41/12/433454112.db2.gz SRJVGXCZFUPRAL-CQSZACIVSA-N 1 0 308.385 3.418 10 0 DGAERO c1cnc2nc(N[C@@H]3CCC[N@@H+](C4CCCCC4)C3)ccc2n1 ZINC000301211461 433454187 /nfs/dbraw/zinc/45/41/87/433454187.db2.gz VLFMGFLJQRHSQO-CQSZACIVSA-N 1 0 311.433 3.234 10 0 DGAERO CCOCCC[N@@H+]1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000361930575 433457738 /nfs/dbraw/zinc/45/77/38/433457738.db2.gz QRHFEAGMBSECGR-IBGZPJMESA-N 1 0 319.445 3.053 10 0 DGAERO CCc1cccnc1[C@@H](C)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426302038 433458462 /nfs/dbraw/zinc/45/84/62/433458462.db2.gz GWYINQRXVAQYAK-CQSZACIVSA-N 1 0 321.424 3.347 10 0 DGAERO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000414205088 433459151 /nfs/dbraw/zinc/45/91/51/433459151.db2.gz CKVUDWLUPQVAHZ-CABZTGNLSA-N 1 0 317.658 3.142 10 0 DGAERO c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000355108528 433468056 /nfs/dbraw/zinc/46/80/56/433468056.db2.gz ODCSYCLZTSMAEJ-CJNGLKHVSA-N 1 0 315.442 3.206 10 0 DGAERO CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccnc(C)n1 ZINC000375643473 433517404 /nfs/dbraw/zinc/51/74/04/433517404.db2.gz VQJVFEHGARSHCP-SFHVURJKSA-N 1 0 321.428 3.492 10 0 DGAERO c1c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)[nH]nc1-c1ccccc1 ZINC000355202150 433530357 /nfs/dbraw/zinc/53/03/57/433530357.db2.gz BREBBALCLKHSDY-DLBZAZTESA-N 1 0 311.429 3.325 10 0 DGAERO Fc1ccc2ncnc(N[C@@H]3CC[N@@H+](C4CCCC4)C3)c2c1 ZINC000301403948 433539936 /nfs/dbraw/zinc/53/99/36/433539936.db2.gz SJIOHAQDADRWKS-CYBMUJFWSA-N 1 0 300.381 3.198 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Sc1ccccc1 ZINC000362023756 433493556 /nfs/dbraw/zinc/49/35/56/433493556.db2.gz XGUARRAMVYLPNE-HOCLYGCPSA-N 1 0 306.475 3.158 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)c(C)o1 ZINC000414262823 433495833 /nfs/dbraw/zinc/49/58/33/433495833.db2.gz DFCYWAMPEUPNNK-RVSPLBMKSA-N 1 0 303.406 3.058 10 0 DGAERO c1c[nH]c([C@@H]2CCC[N@H+]2CCOCCOc2ccccc2)c1 ZINC000339289489 433499006 /nfs/dbraw/zinc/49/90/06/433499006.db2.gz KCWLSCKGRLKFOB-SFHVURJKSA-N 1 0 300.402 3.247 10 0 DGAERO COCCN(Cc1noc(-c2ccccc2)n1)[C@@H]1CC[C@H](C)C1 ZINC000362169230 433559422 /nfs/dbraw/zinc/55/94/22/433559422.db2.gz FSWJKBAWXFMNBM-GOEBONIOSA-N 1 0 315.417 3.374 10 0 DGAERO c1cn(Cc2ccccc2)c(C[NH2+]C[C@@H]2CCCSC2)n1 ZINC000342290562 433591316 /nfs/dbraw/zinc/59/13/16/433591316.db2.gz MTUVIDPFRYRJTP-INIZCTEOSA-N 1 0 301.459 3.164 10 0 DGAERO CCOC(=O)c1oc2ccccc2c1CN1CCOCC[C@H]1C ZINC000362232191 433592001 /nfs/dbraw/zinc/59/20/01/433592001.db2.gz BASINIXGZIUFKM-CYBMUJFWSA-N 1 0 317.385 3.220 10 0 DGAERO C[C@H]1CCC[N@H+](CCCNc2c(F)c(F)nc(F)c2F)C1 ZINC000301621540 433641563 /nfs/dbraw/zinc/64/15/63/433641563.db2.gz XZSHPLIWXXKRSD-VIFPVBQESA-N 1 0 305.319 3.172 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+]C[C@@H]1CCCSC1 ZINC000342295805 433597446 /nfs/dbraw/zinc/59/74/46/433597446.db2.gz QQFZESDMUXOTAQ-LBPRGKRZSA-N 1 0 305.472 3.438 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](Cc2cc3ccccc3c(OC)c2)C1 ZINC000449009510 433661760 /nfs/dbraw/zinc/66/17/60/433661760.db2.gz OHFGLTYZADGJLR-INIZCTEOSA-N 1 0 313.397 3.233 10 0 DGAERO Cc1cccc2c(N3CCC[C@@H](Cn4cncn4)C3)cc[nH+]c12 ZINC000301665515 433664743 /nfs/dbraw/zinc/66/47/43/433664743.db2.gz LKLOGQCAXMNSMO-OAHLLOKOSA-N 1 0 307.401 3.051 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000449019994 433671532 /nfs/dbraw/zinc/67/15/32/433671532.db2.gz UCNQLVHXJSCLKS-MLGOLLRUSA-N 1 0 310.388 3.059 10 0 DGAERO Cc1cc(N2CCC3(CC2)OC[C@@H](C)O3)c2cc(F)ccc2[nH+]1 ZINC000301693331 433678863 /nfs/dbraw/zinc/67/88/63/433678863.db2.gz XRERZGXDEVPUJT-CYBMUJFWSA-N 1 0 316.376 3.414 10 0 DGAERO Cc1cccc2c(N[C@H]3CCC[C@H](S(C)(=O)=O)C3)cc[nH+]c12 ZINC000301697819 433681611 /nfs/dbraw/zinc/68/16/11/433681611.db2.gz ZVVMNXRTMCVXLM-KBPBESRZSA-N 1 0 318.442 3.311 10 0 DGAERO COc1cccc(C2=CCN(CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000362399647 433692136 /nfs/dbraw/zinc/69/21/36/433692136.db2.gz BQBSBOFKOCRSNM-GOSISDBHSA-N 1 0 300.446 3.269 10 0 DGAERO Cc1nocc1C[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000293316870 433696951 /nfs/dbraw/zinc/69/69/51/433696951.db2.gz QSCQLTCKBYFQGM-SFHVURJKSA-N 1 0 301.434 3.229 10 0 DGAERO c1nc(C2OCCO2)sc1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000367362387 293061210 /nfs/dbraw/zinc/06/12/10/293061210.db2.gz WXPNMNYMUCPZMM-VTXSZYRJSA-N 1 0 320.458 3.199 10 0 DGAERO c1ccc(COc2cccc(C[N@@H+]3CCC34CCOCC4)c2)nc1 ZINC000370082000 293154203 /nfs/dbraw/zinc/15/42/03/293154203.db2.gz LFKFVYGBHBFNRG-UHFFFAOYSA-N 1 0 324.424 3.416 10 0 DGAERO CCC1(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000370164330 293160128 /nfs/dbraw/zinc/16/01/28/293160128.db2.gz WQQLBUZRHMXFMZ-HIFRSBDPSA-N 1 0 306.475 3.437 10 0 DGAERO Cc1cnn(-c2cc[nH+]cc2NCc2ccc(-c3cc[nH]n3)o2)c1 ZINC000370533743 293177465 /nfs/dbraw/zinc/17/74/65/293177465.db2.gz AXOAMDCIUWIQOU-UHFFFAOYSA-N 1 0 320.356 3.171 10 0 DGAERO O=C(C1CC[NH+](CCCCC(F)(F)F)CC1)N1CCCCC1 ZINC000370983086 293195853 /nfs/dbraw/zinc/19/58/53/293195853.db2.gz VSNKYAQLCLOIKV-UHFFFAOYSA-N 1 0 320.399 3.444 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCc1csc(C)n1)CC2 ZINC000371325171 293209975 /nfs/dbraw/zinc/20/99/75/293209975.db2.gz CZLZISCJCGCKAF-UHFFFAOYSA-N 1 0 314.454 3.297 10 0 DGAERO CCC[C@@H](C(=O)N1CC=C(c2cccc(OC)c2)CC1)[NH+](C)C ZINC000372353561 293237804 /nfs/dbraw/zinc/23/78/04/293237804.db2.gz ADLOYJDCOXZZQC-SFHVURJKSA-N 1 0 316.445 3.041 10 0 DGAERO Cc1ccncc1C[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000373002369 293249323 /nfs/dbraw/zinc/24/93/23/293249323.db2.gz SHWHJHYABPJGSY-CQSZACIVSA-N 1 0 317.383 3.284 10 0 DGAERO OC[C@H]1CCCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000374050348 293346716 /nfs/dbraw/zinc/34/67/16/293346716.db2.gz MWERHPGJJYNYGH-JTQLQIEISA-N 1 0 304.253 3.105 10 0 DGAERO c1nc(C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)c[nH]1 ZINC000374211081 293366264 /nfs/dbraw/zinc/36/62/64/293366264.db2.gz XNLVRHHTKKNCHF-UHFFFAOYSA-N 1 0 308.385 3.444 10 0 DGAERO c1nc(C2CC[NH+](CCCOCCc3ccccc3)CC2)c[nH]1 ZINC000374211428 293366323 /nfs/dbraw/zinc/36/63/23/293366323.db2.gz KMRCVJVKCMEBMD-UHFFFAOYSA-N 1 0 313.445 3.239 10 0 DGAERO CC[C@H](C)[NH+]1CCN(C(=O)CC/C=C\c2ccccc2)CC1 ZINC000456534208 433715438 /nfs/dbraw/zinc/71/54/38/433715438.db2.gz SHPJPTGBLLPCGV-GJBHZFNWSA-N 1 0 300.446 3.423 10 0 DGAERO c1cc2c(c(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)c1)OCO2 ZINC000376414997 433733669 /nfs/dbraw/zinc/73/36/69/433733669.db2.gz MYAAGTXYEAKTER-ARFHVFGLSA-N 1 0 303.402 3.100 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1cccc(O)c1)N(C)C(=O)OC(C)(C)C ZINC000283510470 433734267 /nfs/dbraw/zinc/73/42/67/433734267.db2.gz ZKMLZLJYTSWRPI-OLZOCXBDSA-N 1 0 308.422 3.298 10 0 DGAERO c1cn(C2CCCC2)nc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421845673 433765001 /nfs/dbraw/zinc/76/50/01/433765001.db2.gz QNYCAUVALVDNIY-MRXNPFEDSA-N 1 0 310.445 3.430 10 0 DGAERO Cc1ccc2ncnc(N3CCC([N@H+]4CCC[C@@H]4C)CC3)c2c1 ZINC000301789907 433724490 /nfs/dbraw/zinc/72/44/90/433724490.db2.gz QITIXQUELXSNLR-HNNXBMFYSA-N 1 0 310.445 3.391 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2nnc3ccccn32)C[C@H]1Oc1ccccc1 ZINC000375323526 293512719 /nfs/dbraw/zinc/51/27/19/293512719.db2.gz HIIBVCFTWWNRDT-HZPDHXFCSA-N 1 0 322.412 3.065 10 0 DGAERO CCc1cc(C(=O)N2CCC(C[NH+](CC)CC)CC2)ccc1O ZINC000362674414 433816956 /nfs/dbraw/zinc/81/69/56/433816956.db2.gz ZMFCHJBMRWRGHL-UHFFFAOYSA-N 1 0 318.461 3.149 10 0 DGAERO Clc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c(Br)c1 ZINC000375742559 293564061 /nfs/dbraw/zinc/56/40/61/293564061.db2.gz IKTFYNSUPZHENY-CNDDSTCGSA-N 1 0 316.626 3.085 10 0 DGAERO CSc1ccc(C[NH2+][C@H]2CCCO[C@H]2c2nccn2C)s1 ZINC000340040571 433895232 /nfs/dbraw/zinc/89/52/32/433895232.db2.gz JTXKAQQFBBKFKG-GXTWGEPZSA-N 1 0 323.487 3.213 10 0 DGAERO Cc1ccoc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000293906112 433915980 /nfs/dbraw/zinc/91/59/80/433915980.db2.gz ZVMIIORASKKHBI-KGLIPLIRSA-N 1 0 308.422 3.323 10 0 DGAERO c1ccc(CN2CCC[C@H]([NH2+][C@H]3COc4ccccc43)C2)cc1 ZINC000303081171 433919332 /nfs/dbraw/zinc/91/93/32/433919332.db2.gz FPMOPBALCYPNJG-HKUYNNGSSA-N 1 0 308.425 3.374 10 0 DGAERO c1ccc(CN2CCC[C@@H]([NH2+][C@H]3COc4ccccc43)C2)cc1 ZINC000303081172 433919526 /nfs/dbraw/zinc/91/95/26/433919526.db2.gz FPMOPBALCYPNJG-MJGOQNOKSA-N 1 0 308.425 3.374 10 0 DGAERO COCCC1(C[NH2+]CCc2cccc(OC)n2)CCCCC1 ZINC000436281116 433925270 /nfs/dbraw/zinc/92/52/70/433925270.db2.gz DGTDWQXYZJSVGH-UHFFFAOYSA-N 1 0 306.450 3.209 10 0 DGAERO O[C@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)C(F)F ZINC000436303053 433934936 /nfs/dbraw/zinc/93/49/36/433934936.db2.gz BIENEPNRHQTRNH-JKSUJKDBSA-N 1 0 309.331 3.325 10 0 DGAERO Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000362880306 433895041 /nfs/dbraw/zinc/89/50/41/433895041.db2.gz ZFXVAVMUFPQPQB-QZTJIDSGSA-N 1 0 302.393 3.425 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cnc(-c3ccccc3)s1)CC2 ZINC000377776241 433991836 /nfs/dbraw/zinc/99/18/36/433991836.db2.gz JZQNNENJBLBBOP-ZDUSSCGKSA-N 1 0 310.426 3.180 10 0 DGAERO Cc1cnn(C)c1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000285406216 433937306 /nfs/dbraw/zinc/93/73/06/433937306.db2.gz IQCPUAJWIRFYHL-AWEZNQCLSA-N 1 0 320.234 3.268 10 0 DGAERO C[C@H](COCc1ccccc1)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000390795126 293825648 /nfs/dbraw/zinc/82/56/48/293825648.db2.gz ZMXMMSYLBZNEMD-CRAIPNDOSA-N 1 0 318.461 3.006 10 0 DGAERO C[C@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400501083 293864949 /nfs/dbraw/zinc/86/49/49/293864949.db2.gz IOZALHGZVNYHTF-KBPBESRZSA-N 1 0 308.466 3.412 10 0 DGAERO CCOC(C)(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400460375 293865089 /nfs/dbraw/zinc/86/50/89/293865089.db2.gz RIANHZHMBLYGCN-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@H]([NH2+]CCOC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400803884 293866275 /nfs/dbraw/zinc/86/62/75/293866275.db2.gz VLDPKHXDUVBICM-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(Br)c1 ZINC000403442984 293871453 /nfs/dbraw/zinc/87/14/53/293871453.db2.gz DEZDIFDNDSHGQO-OBCWZRDOSA-N 1 0 310.235 3.261 10 0 DGAERO Cn1cncc1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000294099957 433994284 /nfs/dbraw/zinc/99/42/84/433994284.db2.gz JIMWSHFGAOEQAC-JTQLQIEISA-N 1 0 312.236 3.021 10 0 DGAERO Cc1cccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309728727 434097943 /nfs/dbraw/zinc/09/79/43/434097943.db2.gz QUYAVQHXEYLCSU-MJGOQNOKSA-N 1 0 309.457 3.390 10 0 DGAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C1CCC([NH3+])CC1 ZINC000309552763 434098515 /nfs/dbraw/zinc/09/85/15/434098515.db2.gz YEFDUGQETFGNHM-RWBZWWBESA-N 1 0 300.446 3.331 10 0 DGAERO CCc1cc(N[C@H](c2nccn2C)c2ccc(OC)cc2)cc[nH+]1 ZINC000450232963 293949982 /nfs/dbraw/zinc/94/99/82/293949982.db2.gz MLZCJJGLBKQAIS-SFHVURJKSA-N 1 0 322.412 3.010 10 0 DGAERO Cn1cncc1CC[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000459384034 293969963 /nfs/dbraw/zinc/96/99/63/293969963.db2.gz CAWNUVUIUCZUMD-QGZVFWFLSA-N 1 0 319.424 3.185 10 0 DGAERO CCn1nncc1C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000459412260 293974234 /nfs/dbraw/zinc/97/42/34/293974234.db2.gz RKGHZENAVOUUGQ-UHFFFAOYSA-N 1 0 320.387 3.031 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000313048933 434118246 /nfs/dbraw/zinc/11/82/46/434118246.db2.gz ZBFSAMLLLUHZFU-LLVKDONJSA-N 1 0 302.187 3.103 10 0 DGAERO COc1cccc(C2=CC[N@H+](CCc3cscn3)CC2)c1 ZINC000450318211 434101869 /nfs/dbraw/zinc/10/18/69/434101869.db2.gz MXHYFQBFMQSFDK-UHFFFAOYSA-N 1 0 300.427 3.484 10 0 DGAERO c1cc(OC[C@@H]2CCCO2)ccc1OCC[NH+]1CCCCC1 ZINC000505662976 294247749 /nfs/dbraw/zinc/24/77/49/294247749.db2.gz QHPUDWLCUJHPDC-SFHVURJKSA-N 1 0 305.418 3.109 10 0 DGAERO O=C(NC1CCCCC1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000506591374 294273125 /nfs/dbraw/zinc/27/31/25/294273125.db2.gz BCRHELDQXXZDTO-INIZCTEOSA-N 1 0 305.466 3.003 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000506901165 294277634 /nfs/dbraw/zinc/27/76/34/294277634.db2.gz HFVGGVCJUGTSBE-PMPSAXMXSA-N 1 0 307.482 3.081 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2cccc(CC(C)C)c2)C1 ZINC000507730452 294308795 /nfs/dbraw/zinc/30/87/95/294308795.db2.gz DUJSOBCZESCQKA-WMZOPIPTSA-N 1 0 316.489 3.447 10 0 DGAERO c1ccc(-c2ccc(NCC[NH2+][C@@H]3CC[C@H]3C3CCC3)nn2)cc1 ZINC000510703002 294390046 /nfs/dbraw/zinc/39/00/46/294390046.db2.gz NUWXZWLRNCRCQU-PKOBYXMFSA-N 1 0 322.456 3.146 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510981934 294398466 /nfs/dbraw/zinc/39/84/66/294398466.db2.gz SRKHKALMRNUALV-RTBURBONSA-N 1 0 323.452 3.304 10 0 DGAERO CCCC[C@H](CC)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511020947 294399212 /nfs/dbraw/zinc/39/92/12/294399212.db2.gz ZIILIELGGIVHAK-IRXDYDNUSA-N 1 0 318.461 3.225 10 0 DGAERO c1cn(C2CCCC2)nc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422994165 434157053 /nfs/dbraw/zinc/15/70/53/434157053.db2.gz USPBVSJTFYNJPH-CEXWTWQISA-N 1 0 316.493 3.399 10 0 DGAERO OCCC1([NH2+]Cc2cc(Br)ccc2F)CCCC1 ZINC000512502040 294444234 /nfs/dbraw/zinc/44/42/34/294444234.db2.gz UECXKGCMIHFFAF-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO CC1(C)SC[C@@H]1[NH2+]Cc1cccc(O)c1Br ZINC000315365375 434164979 /nfs/dbraw/zinc/16/49/79/434164979.db2.gz FQMORTGBQQFPIK-JTQLQIEISA-N 1 0 302.237 3.138 10 0 DGAERO c1cc(-c2ccccc2)oc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000378419821 434175758 /nfs/dbraw/zinc/17/57/58/434175758.db2.gz FZHYXQMUTSDWRX-QFBILLFUSA-N 1 0 313.397 3.374 10 0 DGAERO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000357785241 434176832 /nfs/dbraw/zinc/17/68/32/434176832.db2.gz XHHIXUSXUFUCJI-KRWDZBQOSA-N 1 0 300.446 3.472 10 0 DGAERO Cc1nnc(CN(C2CC2)C2CC(c3ccccc3C)C2)n1C ZINC000357790542 434180640 /nfs/dbraw/zinc/18/06/40/434180640.db2.gz XSUKNLIJAPKIBT-UHFFFAOYSA-N 1 0 310.445 3.343 10 0 DGAERO Cc1ccccc1C1CC([N@H+](CC(=O)NC(C)C)C2CC2)C1 ZINC000357825938 434203961 /nfs/dbraw/zinc/20/39/61/434203961.db2.gz JTXBZGBBIBUMAI-UHFFFAOYSA-N 1 0 300.446 3.230 10 0 DGAERO C(=C\c1ccccc1)\CC[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000450471864 434207227 /nfs/dbraw/zinc/20/72/27/434207227.db2.gz WNLHIPGPKYKOIU-LKJUBWIJSA-N 1 0 301.430 3.360 10 0 DGAERO c1nc(CC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cs1 ZINC000295126445 434217825 /nfs/dbraw/zinc/21/78/25/434217825.db2.gz BSCSTDKSMDOUSB-AWEZNQCLSA-N 1 0 316.474 3.098 10 0 DGAERO c1c(CN(C2CC2)[C@H]2CCc3ccccc32)nnn1CC1CC1 ZINC000450519536 434241507 /nfs/dbraw/zinc/24/15/07/434241507.db2.gz MVGUMIFNQPEUDO-IBGZPJMESA-N 1 0 308.429 3.340 10 0 DGAERO CC(C)[C@H](C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC000437412779 434256906 /nfs/dbraw/zinc/25/69/06/434256906.db2.gz MSGOJASRCQRCRI-FVQBIDKESA-N 1 0 308.853 3.288 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000437526778 434281938 /nfs/dbraw/zinc/28/19/38/434281938.db2.gz JNMMQQHXYCEYBX-ZWKOTPCHSA-N 1 0 321.486 3.442 10 0 DGAERO C[C@@H]([N@H+](C)CCOc1c(Cl)cccc1Cl)C(C)(C)O ZINC000382780044 434283411 /nfs/dbraw/zinc/28/34/11/434283411.db2.gz FBJRLHINENIENL-SNVBAGLBSA-N 1 0 306.233 3.463 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@H]1CCOC1)CCCC2 ZINC000358009359 434284685 /nfs/dbraw/zinc/28/46/85/434284685.db2.gz VNSUQMAUJRTCME-RDTXWAMCSA-N 1 0 301.430 3.405 10 0 DGAERO CC(C)c1nnc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000450598206 434289115 /nfs/dbraw/zinc/28/91/15/434289115.db2.gz JCKFXEPAHIFSCX-UKRRQHHQSA-N 1 0 320.506 3.110 10 0 DGAERO c1nnc([C@H]2CCC[N@@H+](CC34CCC(CC3)C4)C2)n1C1CC1 ZINC000450600618 434289146 /nfs/dbraw/zinc/28/91/46/434289146.db2.gz WFNLCZAGESIJLF-CSLYMUCUSA-N 1 0 300.450 3.373 10 0 DGAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cn1 ZINC000328642993 434292945 /nfs/dbraw/zinc/29/29/45/434292945.db2.gz RGGPBVPAZGTQHJ-VUNQQRPYSA-N 1 0 316.449 3.139 10 0 DGAERO CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)O[C@@H](C)C2 ZINC000384543435 434295316 /nfs/dbraw/zinc/29/53/16/434295316.db2.gz FGVVCLIVJYGYLE-BCUIYNNISA-N 1 0 305.418 3.064 10 0 DGAERO c1cc2c(c(C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)c1)OCO2 ZINC000353648857 434302001 /nfs/dbraw/zinc/30/20/01/434302001.db2.gz QWLLHZMVNNVMLQ-INIZCTEOSA-N 1 0 303.402 3.339 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000450627202 434302159 /nfs/dbraw/zinc/30/21/59/434302159.db2.gz TZZMKXQYRSRMDX-ILXRZTDVSA-N 1 0 322.415 3.027 10 0 DGAERO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000386339110 434306103 /nfs/dbraw/zinc/30/61/03/434306103.db2.gz WTSUWHGJHIWOFW-AAEUAGOBSA-N 1 0 306.793 3.198 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000386289499 434307095 /nfs/dbraw/zinc/30/70/95/434307095.db2.gz PGBLIVSMRPBOKH-FZMZJTMJSA-N 1 0 316.214 3.181 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1N ZINC000386265024 434307616 /nfs/dbraw/zinc/30/76/16/434307616.db2.gz LDSHTASAGMVSML-ZANVPECISA-N 1 0 303.233 3.168 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000386361069 434308606 /nfs/dbraw/zinc/30/86/06/434308606.db2.gz ZJIHPUBKUUMWFE-BXUZGUMPSA-N 1 0 316.214 3.181 10 0 DGAERO C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000437772029 434334126 /nfs/dbraw/zinc/33/41/26/434334126.db2.gz IITJJVQMGJOTTE-RBUKOAKNSA-N 1 0 323.440 3.089 10 0 DGAERO C[NH+](C)C1CCN(Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000382253866 434278566 /nfs/dbraw/zinc/27/85/66/434278566.db2.gz AYVNGAFDGNQYKD-UHFFFAOYSA-N 1 0 302.249 3.102 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000358173316 434365739 /nfs/dbraw/zinc/36/57/39/434365739.db2.gz WGHLCBQGTWIYNB-AZUAARDMSA-N 1 0 313.489 3.064 10 0 DGAERO CC[C@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccc(C)cc1 ZINC000358179629 434368146 /nfs/dbraw/zinc/36/81/46/434368146.db2.gz AWHRFCISERLCOR-SFHVURJKSA-N 1 0 315.461 3.397 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C12CCC2 ZINC000329198791 434370825 /nfs/dbraw/zinc/37/08/25/434370825.db2.gz VTCZFIPMACPWDJ-IXYNUQLISA-N 1 0 308.466 3.457 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000450724921 434371238 /nfs/dbraw/zinc/37/12/38/434371238.db2.gz HMARPMQDPQFJEP-SJLPKXTDSA-N 1 0 317.454 3.270 10 0 DGAERO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000437982907 434378514 /nfs/dbraw/zinc/37/85/14/434378514.db2.gz DATYLBSDHHJRGR-FRQCXROJSA-N 1 0 319.445 3.005 10 0 DGAERO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000393323699 434389175 /nfs/dbraw/zinc/38/91/75/434389175.db2.gz TYJFIWOMJBBIFD-SCVCMEIPSA-N 1 0 300.244 3.097 10 0 DGAERO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2nn(C)cc2Br)C1 ZINC000393350969 434392057 /nfs/dbraw/zinc/39/20/57/434392057.db2.gz SSIHERXZTSYDOJ-ZYHUDNBSSA-N 1 0 312.255 3.265 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccsc1Br ZINC000388767943 434335711 /nfs/dbraw/zinc/33/57/11/434335711.db2.gz ZGMVXGCGERBGMQ-GHMZBOCLSA-N 1 0 304.253 3.103 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)[C@@H](C)O1 ZINC000295389205 434339261 /nfs/dbraw/zinc/33/92/61/434339261.db2.gz LBUHMYHLHNYRTE-RTYCURFASA-N 1 0 302.462 3.053 10 0 DGAERO CC1(C)CN(Cc2ccsc2Br)CC[C@@H]1O ZINC000388895261 434341336 /nfs/dbraw/zinc/34/13/36/434341336.db2.gz QQNATMGUGSOBDD-JTQLQIEISA-N 1 0 304.253 3.103 10 0 DGAERO CCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000389192335 434346771 /nfs/dbraw/zinc/34/67/71/434346771.db2.gz VSMAFQNUYYZSBK-KOLCDFICSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000389779251 434350918 /nfs/dbraw/zinc/35/09/18/434350918.db2.gz CPAWDEPTAZRCPY-QPUJVOFHSA-N 1 0 302.205 3.113 10 0 DGAERO C[C@]1(CNC(=O)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397930542 434447688 /nfs/dbraw/zinc/44/76/88/434447688.db2.gz DDWVLHUNUQUCBG-HXUWFJFHSA-N 1 0 308.425 3.471 10 0 DGAERO OCC[C@@H]1CSCC[N@@H+]1CCCCCOc1ccccc1 ZINC000438104484 434407490 /nfs/dbraw/zinc/40/74/90/434407490.db2.gz LICYPYGGFAYYQH-MRXNPFEDSA-N 1 0 309.475 3.036 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000394910581 434407596 /nfs/dbraw/zinc/40/75/96/434407596.db2.gz CWZZLNHNRGTROK-MNOVXSKESA-N 1 0 316.214 3.229 10 0 DGAERO [NH3+]CC[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)C(F)F ZINC000394816403 434407725 /nfs/dbraw/zinc/40/77/25/434407725.db2.gz RJFMNAVTXQBCSU-SSDOTTSWSA-N 1 0 303.662 3.148 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCN[C@H]1C ZINC000396677207 434426327 /nfs/dbraw/zinc/42/63/27/434426327.db2.gz UFYORXPYDIBSJE-TYNCELHUSA-N 1 0 311.267 3.110 10 0 DGAERO CO[C@H](C)C[N@H+](Cc1ccc(Br)cn1)C(C)C ZINC000353784065 434430324 /nfs/dbraw/zinc/43/03/24/434430324.db2.gz ZVEGZRHQMFPLHX-LLVKDONJSA-N 1 0 301.228 3.089 10 0 DGAERO CC(C)COCCC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000359821967 434434170 /nfs/dbraw/zinc/43/41/70/434434170.db2.gz PHRAKHNPBFGVAQ-UHFFFAOYSA-N 1 0 324.509 3.306 10 0 DGAERO Cc1ccc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)nc1 ZINC000397445836 434437295 /nfs/dbraw/zinc/43/72/95/434437295.db2.gz LEDJOFJJGVORPD-UHFFFAOYSA-N 1 0 307.438 3.173 10 0 DGAERO Fc1ccc(C[NH2+]CC2=CCOCC2)c(Br)c1 ZINC000397719583 434442084 /nfs/dbraw/zinc/44/20/84/434442084.db2.gz AKVZWBXQMYANBV-UHFFFAOYSA-N 1 0 300.171 3.025 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1cccc(F)c1Br ZINC000398608232 434459427 /nfs/dbraw/zinc/45/94/27/434459427.db2.gz ZENGDQDXXUQZAC-ZDUSSCGKSA-N 1 0 304.203 3.085 10 0 DGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)CC/C=C/c2ccccc2)C1 ZINC000458159849 434505086 /nfs/dbraw/zinc/50/50/86/434505086.db2.gz FHNIVVRKRJRGBQ-DNXKIMQPSA-N 1 0 300.446 3.328 10 0 DGAERO C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CCC(C)(C)CC1 ZINC000438502752 434496740 /nfs/dbraw/zinc/49/67/40/434496740.db2.gz WYKXCTDYDMCCIF-UHFFFAOYSA-N 1 0 318.417 3.254 10 0 DGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000401668902 434499104 /nfs/dbraw/zinc/49/91/04/434499104.db2.gz PZEXRYWLMSIQMN-ZDUSSCGKSA-N 1 0 313.228 3.398 10 0 DGAERO CCO[C@H]1C[C@@](CO)([NH2+]C2CC(c3ccc(F)cc3)C2)C1(C)C ZINC000438328696 434455237 /nfs/dbraw/zinc/45/52/37/434455237.db2.gz NXLWPDPMUKSSOQ-HVTNRZIGSA-N 1 0 321.436 3.227 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CS1 ZINC000398092755 434457185 /nfs/dbraw/zinc/45/71/85/434457185.db2.gz JTNJTNGLYSHEFD-XYVMCAHJSA-N 1 0 304.503 3.381 10 0 DGAERO CC(C)c1nc([C@H]2CCC[N@H+](C[C@H]3CCO[C@H](C)C3)C2)no1 ZINC000408144813 434546165 /nfs/dbraw/zinc/54/61/65/434546165.db2.gz NRLNYQQFPHYVMA-ILXRZTDVSA-N 1 0 307.438 3.188 10 0 DGAERO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC000525737326 295029548 /nfs/dbraw/zinc/02/95/48/295029548.db2.gz QZLIKWKXMFYNIB-FMKPAKJESA-N 1 0 304.434 3.093 10 0 DGAERO C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)CCC[NH+](C)C ZINC000525928547 295043436 /nfs/dbraw/zinc/04/34/36/295043436.db2.gz YWGZUUWIBIZTHS-HNNXBMFYSA-N 1 0 314.429 3.017 10 0 DGAERO O=C(CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1)Nc1ccccn1 ZINC000527348219 295093239 /nfs/dbraw/zinc/09/32/39/295093239.db2.gz LBPNTWLFINXGLY-IRXDYDNUSA-N 1 0 309.413 3.336 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@@H]1CCCO1 ZINC000527637044 295107541 /nfs/dbraw/zinc/10/75/41/295107541.db2.gz HEXORPTYUTZAAS-KCJUWKMLSA-N 1 0 320.177 3.384 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000527649596 295109596 /nfs/dbraw/zinc/10/95/96/295109596.db2.gz PBXDKRKGZWQEHA-FQEVSTJZSA-N 1 0 309.457 3.392 10 0 DGAERO CC1(C)C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)CO1 ZINC000527728398 295121281 /nfs/dbraw/zinc/12/12/81/295121281.db2.gz SKZUFAMUOHOANN-VIFPVBQESA-N 1 0 320.177 3.384 10 0 DGAERO Brc1ccc(C[NH2+]CC[C@H]2CCCOC2)s1 ZINC000527735885 295122784 /nfs/dbraw/zinc/12/27/84/295122784.db2.gz DMUARVBLQIJHTL-SNVBAGLBSA-N 1 0 304.253 3.417 10 0 DGAERO c1ccc(CN2CCC([NH2+]CC[C@H]3CCCOC3)CC2)cc1 ZINC000527739421 295123529 /nfs/dbraw/zinc/12/35/29/295123529.db2.gz NZAAFCKXQDZXNP-GOSISDBHSA-N 1 0 302.462 3.057 10 0 DGAERO c1ccc([C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C2CCC2)nc1 ZINC000527774404 295128412 /nfs/dbraw/zinc/12/84/12/295128412.db2.gz UOTBRHZOYZNYKU-LJQANCHMSA-N 1 0 310.397 3.484 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000527800973 295132777 /nfs/dbraw/zinc/13/27/77/295132777.db2.gz GHJZLKBTOAIFIA-APOZVJGGSA-N 1 0 304.253 3.412 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000527807307 295133935 /nfs/dbraw/zinc/13/39/35/295133935.db2.gz ZFNMBTGXWXUOHT-APOZVJGGSA-N 1 0 304.253 3.412 10 0 DGAERO CCCC[N@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CCCC[C@H]1OC ZINC000451650980 434573630 /nfs/dbraw/zinc/57/36/30/434573630.db2.gz LPTAMXDCFGDNCF-MGPQQGTHSA-N 1 0 311.388 3.359 10 0 DGAERO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000408391532 434569174 /nfs/dbraw/zinc/56/91/74/434569174.db2.gz CRPJZHBPIJWLSZ-HNNXBMFYSA-N 1 0 300.406 3.116 10 0 DGAERO c1c[nH]c([C@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)c2ccccc2)n1 ZINC000527945500 295155349 /nfs/dbraw/zinc/15/53/49/295155349.db2.gz GOQPTTPEQOUTBW-RBUKOAKNSA-N 1 0 324.472 3.496 10 0 DGAERO c1ccc([C@@H]([NH2+]C2CCC3(CC2)OCCO3)C2CCC2)nc1 ZINC000527966314 295158013 /nfs/dbraw/zinc/15/80/13/295158013.db2.gz OGWUBCMAKGTPFB-KRWDZBQOSA-N 1 0 302.418 3.198 10 0 DGAERO CCn1nncc1C[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000459403123 434581310 /nfs/dbraw/zinc/58/13/10/434581310.db2.gz GFIMAUPAHBHBQU-CYBMUJFWSA-N 1 0 324.350 3.306 10 0 DGAERO C[C@@H]1[C@@H](O)CCCN1Cc1ccc(Br)c(F)c1F ZINC000528520240 295222293 /nfs/dbraw/zinc/22/22/93/295222293.db2.gz NWLUGPCUFISZSS-KCJUWKMLSA-N 1 0 320.177 3.073 10 0 DGAERO CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000408519226 434584287 /nfs/dbraw/zinc/58/42/87/434584287.db2.gz WSXDVNRRBRHNPB-FLRJSNATSA-N 1 0 316.445 3.215 10 0 DGAERO COc1cccc(C)c1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000194989623 295289328 /nfs/dbraw/zinc/28/93/28/295289328.db2.gz CMXWUBVQUSITQX-OAHLLOKOSA-N 1 0 319.449 3.390 10 0 DGAERO O=C(C1CCC(F)(F)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000131954358 295440049 /nfs/dbraw/zinc/44/00/49/295440049.db2.gz VBGNVHPWTNZRTH-OAHLLOKOSA-N 1 0 314.420 3.289 10 0 DGAERO COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000360438807 434605129 /nfs/dbraw/zinc/60/51/29/434605129.db2.gz ZZEYWTAJAKUASQ-AEFFLSMTSA-N 1 0 302.462 3.056 10 0 DGAERO c1ccc([C@@H]2CC[C@H](C[NH2+]C3CCN(C4CC4)CC3)O2)cc1 ZINC000459557876 434605499 /nfs/dbraw/zinc/60/54/99/434605499.db2.gz FHDIJOJVJPZWCU-MOPGFXCFSA-N 1 0 300.446 3.123 10 0 DGAERO c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+][C@H]1CC12CC2 ZINC000424181223 434650812 /nfs/dbraw/zinc/65/08/12/434650812.db2.gz BCYLWXFULZOJRY-AWEZNQCLSA-N 1 0 300.383 3.181 10 0 DGAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCn3c(C)nc4ccccc43)C[C@H]2C1 ZINC000424252314 434667185 /nfs/dbraw/zinc/66/71/85/434667185.db2.gz DBQXFMLXLUAXIJ-WNKDZCFJSA-N 1 0 313.445 3.138 10 0 DGAERO CCO[C@H](C)c1nc(C[NH2+]C2(CCO)CCCCC2)cs1 ZINC000440902837 434751988 /nfs/dbraw/zinc/75/19/88/434751988.db2.gz IKJLATJWGNZUQI-CYBMUJFWSA-N 1 0 312.479 3.416 10 0 DGAERO CC[N@H+](CC1(CC(=O)OC)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000440704499 434736675 /nfs/dbraw/zinc/73/66/75/434736675.db2.gz LEYCKZCTBWBYQS-OAHLLOKOSA-N 1 0 319.445 3.291 10 0 DGAERO Cc1ccc2ncc(C[NH+]3CCC(c4nccc(C)n4)CC3)n2c1 ZINC000371888950 434765850 /nfs/dbraw/zinc/76/58/50/434765850.db2.gz TWZAGQPAKRLLJN-UHFFFAOYSA-N 1 0 321.428 3.121 10 0 DGAERO CCCCc1ccc(-n2nnnc2SC[C@H](C)[NH+](C)C)cc1 ZINC000460453461 434758109 /nfs/dbraw/zinc/75/81/09/434758109.db2.gz WBWVWDVNJWASFN-ZDUSSCGKSA-N 1 0 319.478 3.047 10 0 DGAERO CCCCc1c(C)nc2nc(SC[C@@H](C)[NH+](C)C)nn2c1C ZINC000460432548 434758384 /nfs/dbraw/zinc/75/83/84/434758384.db2.gz UJPLLNWXFFMOEB-LLVKDONJSA-N 1 0 321.494 3.126 10 0 DGAERO CCCCn1c(SC[C@H](C)[NH+](C)C)nc2ccccc2c1=O ZINC000460449309 434758430 /nfs/dbraw/zinc/75/84/30/434758430.db2.gz KEEJPLRKKIECPI-ZDUSSCGKSA-N 1 0 319.474 3.239 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2cc(F)ccc2SC)CCOCC1 ZINC000453112542 434804497 /nfs/dbraw/zinc/80/44/97/434804497.db2.gz DIHIXKFKGNFXMA-GFCCVEGCSA-N 1 0 313.438 3.221 10 0 DGAERO COC1([C@H](C)[NH2+]CCCCN(C)c2ccccc2)CCOCC1 ZINC000453074840 434792707 /nfs/dbraw/zinc/79/27/07/434792707.db2.gz VPEJSTCXFNEJAZ-KRWDZBQOSA-N 1 0 320.477 3.077 10 0 DGAERO C[C@H]1CCC[C@@](CNC(=O)N2CCCC23CCC3)([NH+](C)C)C1 ZINC000445264966 434793369 /nfs/dbraw/zinc/79/33/69/434793369.db2.gz MRFPLJXCITZHSR-MAUKXSAKSA-N 1 0 307.482 3.225 10 0 DGAERO COC1([C@H](C)[NH2+]CCSc2ccc(C)cc2)CCOCC1 ZINC000453096612 434798326 /nfs/dbraw/zinc/79/83/26/434798326.db2.gz UGHKXHMTLMWKIJ-HNNXBMFYSA-N 1 0 309.475 3.261 10 0 DGAERO COC1([C@H](C)[NH2+]CC2(c3cccc(F)c3)CC2)CCOCC1 ZINC000453118478 434806719 /nfs/dbraw/zinc/80/67/19/434806719.db2.gz YQVOEDZNBGDPLL-AWEZNQCLSA-N 1 0 307.409 3.031 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2ccc(C)cc2OC(C)C)CCOCC1 ZINC000453136221 434810764 /nfs/dbraw/zinc/81/07/64/434810764.db2.gz UIJLINSYQQIBBP-INIZCTEOSA-N 1 0 321.461 3.456 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2ccc(C)cc2SC)CCOCC1 ZINC000453133814 434812275 /nfs/dbraw/zinc/81/22/75/434812275.db2.gz RJMFNGPLJOLOAC-CQSZACIVSA-N 1 0 309.475 3.391 10 0 DGAERO COc1ccc(C(C)(C)C[NH2+][C@@H](C)C2(OC)CCOCC2)cc1 ZINC000453137665 434814026 /nfs/dbraw/zinc/81/40/26/434814026.db2.gz NJYIBRCIHQDEDV-HNNXBMFYSA-N 1 0 321.461 3.147 10 0 DGAERO OC[C@H]1CC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000453139484 434814364 /nfs/dbraw/zinc/81/43/64/434814364.db2.gz NABWAKKDQLQNKZ-CAMMJAKZSA-N 1 0 303.446 3.295 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3occ(C)c3c2)C1 ZINC000361174054 434820762 /nfs/dbraw/zinc/82/07/62/434820762.db2.gz RPFFGVYZAQRPNR-CYBMUJFWSA-N 1 0 301.390 3.205 10 0 DGAERO CCC[C@H]([NH2+]CCc1nc(C(=O)OCC)cs1)C1CCC1 ZINC000453210515 434829036 /nfs/dbraw/zinc/82/90/36/434829036.db2.gz CUBWMTCHEPAXPE-ZDUSSCGKSA-N 1 0 310.463 3.421 10 0 DGAERO C[C@@H](CCO)CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453225538 434832622 /nfs/dbraw/zinc/83/26/22/434832622.db2.gz CECTWJNKWGFJEL-RISCZKNCSA-N 1 0 316.367 3.476 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000411875194 434840673 /nfs/dbraw/zinc/84/06/73/434840673.db2.gz OAMMDYOGKGCZIK-IBGZPJMESA-N 1 0 303.446 3.137 10 0 DGAERO C[C@@H](NC(=O)CCC1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000637883811 434899509 /nfs/dbraw/zinc/89/95/09/434899509.db2.gz KCBBLIKGOLXCJA-SECBINFHSA-N 1 0 301.217 3.170 10 0 DGAERO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000491852329 434870940 /nfs/dbraw/zinc/87/09/40/434870940.db2.gz ODLCSXQEFQUJGA-LZQZEXGQSA-N 1 0 324.424 3.158 10 0 DGAERO CC[NH+](CC)C[C@H](C)NC(=O)N(Cc1ccccc1)C(C)C ZINC000523189950 434941228 /nfs/dbraw/zinc/94/12/28/434941228.db2.gz WVSRQJZCIFGXHK-INIZCTEOSA-N 1 0 305.466 3.337 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+]CC1Cc2ccccc2C1 ZINC000555105014 434960010 /nfs/dbraw/zinc/96/00/10/434960010.db2.gz YINHQHCCMNIBDG-UHFFFAOYSA-N 1 0 303.409 3.377 10 0 DGAERO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2C[C@H]2C)CC1 ZINC000522560906 434926443 /nfs/dbraw/zinc/92/64/43/434926443.db2.gz WOZGGWNRQIGNFT-HLLBOEOZSA-N 1 0 315.461 3.167 10 0 DGAERO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2C[C@H]2C)CC1 ZINC000522560905 434926881 /nfs/dbraw/zinc/92/68/81/434926881.db2.gz WOZGGWNRQIGNFT-BFYDXBDKSA-N 1 0 315.461 3.167 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462794360 434929382 /nfs/dbraw/zinc/92/93/82/434929382.db2.gz XNBKTPGLRHAAMP-MRXNPFEDSA-N 1 0 307.434 3.283 10 0 DGAERO c1c(CC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)nc2ccccn12 ZINC000462799565 434930054 /nfs/dbraw/zinc/93/00/54/434930054.db2.gz ZNUAMDKIERUUBK-BRWVUGGUSA-N 1 0 313.445 3.062 10 0 DGAERO O=C(NCCCC1CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000522914376 434934636 /nfs/dbraw/zinc/93/46/36/434934636.db2.gz FKXNCZXZGJXXGT-QGZVFWFLSA-N 1 0 318.436 3.344 10 0 DGAERO COC1(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CCCCC1 ZINC000556699982 435020521 /nfs/dbraw/zinc/02/05/21/435020521.db2.gz UITBUUMAQGOQRI-AWEZNQCLSA-N 1 0 305.422 3.086 10 0 DGAERO CC[C@H]([NH2+]Cc1snc(OC)c1Br)C(C)C ZINC000638425435 435028582 /nfs/dbraw/zinc/02/85/82/435028582.db2.gz GDJUVYLFOQZVPA-QMMMGPOBSA-N 1 0 307.257 3.438 10 0 DGAERO CC[NH+](CC)CCNC(=O)N1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000465447639 435029659 /nfs/dbraw/zinc/02/96/59/435029659.db2.gz ZARJLHLZYPEYMO-HOCLYGCPSA-N 1 0 321.465 3.412 10 0 DGAERO CC1CC[NH+](CCNC(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000465529497 435032652 /nfs/dbraw/zinc/03/26/52/435032652.db2.gz QTOWFELOUCHGSU-UHFFFAOYSA-N 1 0 307.482 3.084 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000525092234 435003450 /nfs/dbraw/zinc/00/34/50/435003450.db2.gz VQGGQVRYBOGXTE-QAPCUYQASA-N 1 0 318.461 3.179 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000556518637 435010219 /nfs/dbraw/zinc/01/02/19/435010219.db2.gz IWUAKUDPCYSMPN-RTBURBONSA-N 1 0 300.446 3.083 10 0 DGAERO CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CCC23CCC3)cc1 ZINC000530940084 435063112 /nfs/dbraw/zinc/06/31/12/435063112.db2.gz IRHKVSSTRNGFLF-INIZCTEOSA-N 1 0 303.446 3.352 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)N1CCC12CCC2)c1ccc(Cl)cc1 ZINC000531201079 435077901 /nfs/dbraw/zinc/07/79/01/435077901.db2.gz VDIWKSGCJHYZGZ-HNNXBMFYSA-N 1 0 321.852 3.281 10 0 DGAERO Cc1ccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000531715161 435113934 /nfs/dbraw/zinc/11/39/34/435113934.db2.gz REUYNYAZDRAAAQ-UTKZUKDTSA-N 1 0 323.484 3.433 10 0 DGAERO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@H]1CCCOC1 ZINC000475280725 435188552 /nfs/dbraw/zinc/18/85/52/435188552.db2.gz AAYBRKDXBJREKI-WMZOPIPTSA-N 1 0 302.462 3.308 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CC[C@@H](C)C2)CC1 ZINC000475480560 435199946 /nfs/dbraw/zinc/19/99/46/435199946.db2.gz ULTXPJQCDIZHDF-WBVHZDCISA-N 1 0 309.498 3.186 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCC[C@H](C(C)(C)C)C2)CC1 ZINC000474657401 435155356 /nfs/dbraw/zinc/15/53/56/435155356.db2.gz NBAGEFPMTREDQX-INIZCTEOSA-N 1 0 307.482 3.106 10 0 DGAERO CC[C@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CC1 ZINC000532571556 435179139 /nfs/dbraw/zinc/17/91/39/435179139.db2.gz YDDMSQOBHWIAAK-STQMWFEESA-N 1 0 318.417 3.253 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCOC(F)(F)F)cc1 ZINC000475146059 435179636 /nfs/dbraw/zinc/17/96/36/435179636.db2.gz MVEUQHDMLMQTDS-UHFFFAOYSA-N 1 0 319.323 3.268 10 0 DGAERO c1ccc2nc(CC[NH2+]Cc3ccc4c(n3)CCC4)ccc2c1 ZINC000560583377 435182717 /nfs/dbraw/zinc/18/27/17/435182717.db2.gz OPTOUNKVRAKUDT-UHFFFAOYSA-N 1 0 303.409 3.451 10 0 DGAERO C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532647368 435183068 /nfs/dbraw/zinc/18/30/68/435183068.db2.gz HUELUFJINOIEOM-SJORKVTESA-N 1 0 324.509 3.305 10 0 DGAERO Cc1ccc2nc(C[N@@H+]3CCC4(C3)CCCCC4)cc(=O)n2c1 ZINC000533294676 435223654 /nfs/dbraw/zinc/22/36/54/435223654.db2.gz BLZPWZVZFCPUJJ-UHFFFAOYSA-N 1 0 311.429 3.159 10 0 DGAERO C[C@@H]([NH2+]C1CC(F)(F)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496759819 435250883 /nfs/dbraw/zinc/25/08/83/435250883.db2.gz RCOXZJGWTCUQQL-MNOVXSKESA-N 1 0 304.381 3.019 10 0 DGAERO F[C@H]1C[C@@H](C[NH2+]C[C@@H]2CC=CCC2)N(Cc2nccs2)C1 ZINC000583621393 435244072 /nfs/dbraw/zinc/24/40/72/435244072.db2.gz BHTJCPJIINWWEB-ILXRZTDVSA-N 1 0 309.454 3.001 10 0 DGAERO Cc1noc(C)c1CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000535210849 435325265 /nfs/dbraw/zinc/32/52/65/435325265.db2.gz KHNPVDFTFYPXHZ-OAHLLOKOSA-N 1 0 322.449 3.278 10 0 DGAERO Cc1noc(C)c1CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000535210835 435325570 /nfs/dbraw/zinc/32/55/70/435325570.db2.gz KHNPVDFTFYPXHZ-HNNXBMFYSA-N 1 0 322.449 3.278 10 0 DGAERO OCCC1([NH2+]Cc2cc(F)ccc2Br)CCCC1 ZINC000512496467 435360141 /nfs/dbraw/zinc/36/01/41/435360141.db2.gz KVFIJTMJUDLUPS-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO COc1ccc(OC)c(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1 ZINC000536650456 435400170 /nfs/dbraw/zinc/40/01/70/435400170.db2.gz CKLOXQQZIZOQBI-OAHLLOKOSA-N 1 0 315.413 3.087 10 0 DGAERO O=C(NC[C@H]1CC[NH2+]C1)c1sc2cc(F)ccc2c1Cl ZINC000644109377 435413857 /nfs/dbraw/zinc/41/38/57/435413857.db2.gz WTZHXPYZRIQDTB-QMMMGPOBSA-N 1 0 312.797 3.033 10 0 DGAERO CCC(CC)C[N@H+](CC)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000514127948 435414687 /nfs/dbraw/zinc/41/46/87/435414687.db2.gz AUYVUYYISHIXAM-UHFFFAOYSA-N 1 0 306.406 3.112 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@H+](CCN(C)c1ccccc1)CC2 ZINC000535970204 435368277 /nfs/dbraw/zinc/36/82/77/435368277.db2.gz UKSIXAFNGWJMCR-UHFFFAOYSA-N 1 0 322.452 3.426 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2ccccc2)C[C@H]1C ZINC000513326050 435383609 /nfs/dbraw/zinc/38/36/09/435383609.db2.gz MUBNNDINZDJITK-LZLYRXPVSA-N 1 0 302.462 3.196 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000513487637 435392014 /nfs/dbraw/zinc/39/20/14/435392014.db2.gz IBYXDEXFVIWERF-BENRWUELSA-N 1 0 306.837 3.377 10 0 DGAERO CC[C@@H](C[N@@H+]1CCCN(c2cccnn2)CC1)c1ccccc1 ZINC000513643367 435396812 /nfs/dbraw/zinc/39/68/12/435396812.db2.gz TYPPYZTWTAAUMS-KRWDZBQOSA-N 1 0 310.445 3.183 10 0 DGAERO C1=CC[C@@]2(CC1)CCC[N@@H+](Cc1cnc(N3CCCC3)nc1)C2 ZINC000537625262 435457598 /nfs/dbraw/zinc/45/75/98/435457598.db2.gz VZVHORRKTUWYRT-LJQANCHMSA-N 1 0 312.461 3.399 10 0 DGAERO Cc1cc(C)cc(-c2ccc(C[N@@H+]3CC[C@@H](NC(N)=O)C3)cc2)c1 ZINC000537693092 435463398 /nfs/dbraw/zinc/46/33/98/435463398.db2.gz PPJSXRTYPVWUCE-LJQANCHMSA-N 1 0 323.440 3.213 10 0 DGAERO C[C@H]1CC[N@H+](CCNCc2ncc(-c3ccccc3)s2)C1 ZINC000537776138 435464931 /nfs/dbraw/zinc/46/49/31/435464931.db2.gz BMLOBUQSKBHIBG-AWEZNQCLSA-N 1 0 301.459 3.242 10 0 DGAERO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Cl)cc(Cl)c1 ZINC000482432982 435464951 /nfs/dbraw/zinc/46/49/51/435464951.db2.gz CMSWLBAYZXQIQE-NWDGAFQWSA-N 1 0 317.260 3.365 10 0 DGAERO CC[C@H](C[N@H+](CC)CC(=O)N(C)CC1CC1)c1ccccc1 ZINC000481737727 435442071 /nfs/dbraw/zinc/44/20/71/435442071.db2.gz PNYUTXFIIHXMEF-QGZVFWFLSA-N 1 0 302.462 3.371 10 0 DGAERO c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000483262191 435506278 /nfs/dbraw/zinc/50/62/78/435506278.db2.gz KUFYANHYNXPUJY-MJGOQNOKSA-N 1 0 301.430 3.476 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]CCc3ccncc3)CC23CC3)cc1 ZINC000516180655 435516849 /nfs/dbraw/zinc/51/68/49/435516849.db2.gz BHUCEUPMILJNSR-FQEVSTJZSA-N 1 0 321.468 3.411 10 0 DGAERO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000538730459 435516950 /nfs/dbraw/zinc/51/69/50/435516950.db2.gz NBUCLFXDVFCCEG-DQSGYLJSSA-N 1 0 312.457 3.424 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000483658588 435526398 /nfs/dbraw/zinc/52/63/98/435526398.db2.gz JNABXRJVMAEGIG-HNNXBMFYSA-N 1 0 311.425 3.433 10 0 DGAERO CC[N@H+](CCC1CCN(C(=O)NC[C@H]2C[C@H]2C)CC1)CC1CC1 ZINC000538913831 435530990 /nfs/dbraw/zinc/53/09/90/435530990.db2.gz LMMLXPATTWWZJD-CRAIPNDOSA-N 1 0 321.509 3.186 10 0 DGAERO COc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000538267595 435489992 /nfs/dbraw/zinc/48/99/92/435489992.db2.gz LXKRHXQIUIYCEN-CRAIPNDOSA-N 1 0 311.429 3.413 10 0 DGAERO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000538314714 435492672 /nfs/dbraw/zinc/49/26/72/435492672.db2.gz OECCLTFFDKFWFG-MRXNPFEDSA-N 1 0 320.477 3.296 10 0 DGAERO C[C@H](CCc1ccccc1)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000538306624 435493628 /nfs/dbraw/zinc/49/36/28/435493628.db2.gz YUZJWJRUDMHNBX-GOSISDBHSA-N 1 0 324.472 3.258 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C1(C)C ZINC000538394419 435498085 /nfs/dbraw/zinc/49/80/85/435498085.db2.gz ZESGBRDWRVYBOV-RCCFBDPRSA-N 1 0 305.462 3.336 10 0 DGAERO CCc1ccc(CC[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000483179755 435500466 /nfs/dbraw/zinc/50/04/66/435500466.db2.gz IQCAWGZXPIODDC-IBGZPJMESA-N 1 0 303.446 3.061 10 0 DGAERO CC1(C)C[N@H+](CCCCc2ccccc2)C[C@]2(CCOC2)O1 ZINC000483185544 435501661 /nfs/dbraw/zinc/50/16/61/435501661.db2.gz RTRTXPTZYYDUMH-IBGZPJMESA-N 1 0 303.446 3.279 10 0 DGAERO Cc1ccc(-c2noc(N3CC[C@H]([NH+]4CCCCC4)C3)n2)cc1 ZINC000484153893 435540568 /nfs/dbraw/zinc/54/05/68/435540568.db2.gz ASARGKCRUGNFTI-INIZCTEOSA-N 1 0 312.417 3.110 10 0 DGAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1(C)C ZINC000484287612 435542774 /nfs/dbraw/zinc/54/27/74/435542774.db2.gz GUGGBYAXDINZOV-OQIJWPOYSA-N 1 0 316.489 3.300 10 0 DGAERO Fc1ccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000540596063 435609872 /nfs/dbraw/zinc/60/98/72/435609872.db2.gz MMVLUUBPNPSFAO-ZACQAIPSSA-N 1 0 305.393 3.142 10 0 DGAERO O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)ccc21 ZINC000540953827 435628197 /nfs/dbraw/zinc/62/81/97/435628197.db2.gz FCUUXGISWFPRIC-DLBZAZTESA-N 1 0 319.470 3.075 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000486488073 435601130 /nfs/dbraw/zinc/60/11/30/435601130.db2.gz PEJJIRSCBQMZBS-CQSZACIVSA-N 1 0 321.852 3.352 10 0 DGAERO COc1ccc(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)nc1 ZINC000570819144 435654648 /nfs/dbraw/zinc/65/46/48/435654648.db2.gz VKIPCDAFDXRGLB-CQSZACIVSA-N 1 0 320.433 3.034 10 0 DGAERO CC(C)(C)OC(=O)C[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000548066587 435665643 /nfs/dbraw/zinc/66/56/43/435665643.db2.gz DAHLIYSCWWHPFX-QGZVFWFLSA-N 1 0 324.509 3.306 10 0 DGAERO CCc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC)C2)cc1Cl ZINC000490756365 435678189 /nfs/dbraw/zinc/67/81/89/435678189.db2.gz FZIOWQOZRUEFLJ-LBPRGKRZSA-N 1 0 309.841 3.366 10 0 DGAERO CC1(C)CC(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000548385336 435687140 /nfs/dbraw/zinc/68/71/40/435687140.db2.gz CAPDYCHCFLQEDO-UHFFFAOYSA-N 1 0 300.446 3.448 10 0 DGAERO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1[C@H](C)C[C@@H]1C ZINC000548754570 435715536 /nfs/dbraw/zinc/71/55/36/435715536.db2.gz ZJBRGPSPCRYUJC-TUAOUCFPSA-N 1 0 314.385 3.445 10 0 DGAERO O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491276267 435723456 /nfs/dbraw/zinc/72/34/56/435723456.db2.gz DBIMQZXIKHMTNW-HUUCEWRRSA-N 1 0 313.363 3.341 10 0 DGAERO c1sc2ccccc2c1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000572644665 435850180 /nfs/dbraw/zinc/85/01/80/435850180.db2.gz JIMOVQUSCWETGF-AWEZNQCLSA-N 1 0 310.426 3.378 10 0 DGAERO c1nc(C2CC2)c(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)s1 ZINC000551795670 435853181 /nfs/dbraw/zinc/85/31/81/435853181.db2.gz QFHKYPYBWUNUDS-LBPRGKRZSA-N 1 0 316.430 3.270 10 0 DGAERO Cc1cc(CC[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)on1 ZINC000552096135 435881698 /nfs/dbraw/zinc/88/16/98/435881698.db2.gz RWRUYKYUFAUVST-LLVKDONJSA-N 1 0 321.808 3.186 10 0 DGAERO [NH3+]C1(CNc2ccnc3cc(Br)cnc32)CCCC1 ZINC000656610615 435983812 /nfs/dbraw/zinc/98/38/12/435983812.db2.gz KUUMXXKTOFMRBN-UHFFFAOYSA-N 1 0 321.222 3.076 10 0 DGAERO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCCO2 ZINC000126717164 301284689 /nfs/dbraw/zinc/28/46/89/301284689.db2.gz MBZPSXODSCFNFT-DOMZBBRYSA-N 1 0 322.836 3.073 10 0 DGAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663010355 436404935 /nfs/dbraw/zinc/40/49/35/436404935.db2.gz SZKJSKICPWJDLS-VIFPVBQESA-N 1 0 310.703 3.305 10 0 DGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(F)c(Br)c1 ZINC000658351010 436437015 /nfs/dbraw/zinc/43/70/15/436437015.db2.gz JORGVDBYXDOZBS-FKTRJACZSA-N 1 0 302.187 3.010 10 0 DGAERO Cc1ccccc1[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1ccccc1 ZINC000168530506 302199732 /nfs/dbraw/zinc/19/97/32/302199732.db2.gz WKAJVVYTGMCUQE-RRMPHLOHSA-N 1 0 301.455 3.441 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000261773356 303466712 /nfs/dbraw/zinc/46/67/12/303466712.db2.gz OPWMEIPMXUGEKR-BSDSXHPESA-N 1 0 300.446 3.347 10 0 DGAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000261796887 303589009 /nfs/dbraw/zinc/58/90/09/303589009.db2.gz DRLBCMAACXIZDU-NJAFHUGGSA-N 1 0 300.446 3.219 10 0 DGAERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@H]1CCCC12CCOCC2 ZINC000282714658 304845691 /nfs/dbraw/zinc/84/56/91/304845691.db2.gz LQUYKOOUVFRMJP-HOCLYGCPSA-N 1 0 302.418 3.104 10 0 DGAERO Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)C(C)(C)C)c2cc1C ZINC000172263061 312744381 /nfs/dbraw/zinc/74/43/81/312744381.db2.gz DDXYJFBPGGGAFI-HUUCEWRRSA-N 1 0 303.450 3.038 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)C(C)(C)C ZINC000173392930 312756341 /nfs/dbraw/zinc/75/63/41/312756341.db2.gz BCDWDGMBLQEGOU-SNVBAGLBSA-N 1 0 302.871 3.384 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000179531652 312808899 /nfs/dbraw/zinc/80/88/99/312808899.db2.gz BVJGUPBOMNABGB-AWEZNQCLSA-N 1 0 306.450 3.429 10 0 DGAERO CCC(CC)[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000179791330 312816620 /nfs/dbraw/zinc/81/66/20/312816620.db2.gz OFUOBLPRLXLKAT-PBHICJAKSA-N 1 0 311.491 3.434 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000376374738 312941544 /nfs/dbraw/zinc/94/15/44/312941544.db2.gz FWRPULNYKFKTHO-LPHOPBHVSA-N 1 0 314.473 3.056 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ncccc1F ZINC000530529642 313381025 /nfs/dbraw/zinc/38/10/25/313381025.db2.gz ZOYIOLIFFYXJSR-YJBOKZPZSA-N 1 0 313.420 3.221 10 0 DGAERO Cc1ccc(CC[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)cn1 ZINC000537191134 313800366 /nfs/dbraw/zinc/80/03/66/313800366.db2.gz POZYMSDRGJNSDR-LJQANCHMSA-N 1 0 324.403 3.184 10 0 DGAERO C[C@H](Cc1ccsc1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000541201376 314000436 /nfs/dbraw/zinc/00/04/36/314000436.db2.gz YNFAMOOWPNROFA-OAHLLOKOSA-N 1 0 320.502 3.404 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000541342295 314010155 /nfs/dbraw/zinc/01/01/55/314010155.db2.gz KNXDMOZYVHYCTE-MRXNPFEDSA-N 1 0 319.493 3.391 10 0 DGAERO CC(C)[NH+](CCCNC(=O)N(C)C[C@H]1CC=CCC1)C(C)C ZINC000541345060 314010509 /nfs/dbraw/zinc/01/05/09/314010509.db2.gz VMDYREYRCSIHLF-KRWDZBQOSA-N 1 0 309.498 3.493 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2cccc(C)c2)C1 ZINC000541478933 314017282 /nfs/dbraw/zinc/01/72/82/314017282.db2.gz PYWFALKBQDEJPF-ROUUACIJSA-N 1 0 300.446 3.185 10 0 DGAERO CC(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000542260983 314065994 /nfs/dbraw/zinc/06/59/94/314065994.db2.gz WBIPXCSHKQAWEH-MRXNPFEDSA-N 1 0 307.482 3.105 10 0 DGAERO CCOC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)cc1 ZINC000542482243 314078814 /nfs/dbraw/zinc/07/88/14/314078814.db2.gz BNMACWCHHCEGSG-MRXNPFEDSA-N 1 0 317.429 3.417 10 0 DGAERO Cn1ccc([C@@H](NCC(C)(C)[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000542670128 314090450 /nfs/dbraw/zinc/09/04/50/314090450.db2.gz BNWPNNIPWQIJDN-INIZCTEOSA-N 1 0 320.868 3.093 10 0 DGAERO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000542916070 314106105 /nfs/dbraw/zinc/10/61/05/314106105.db2.gz VPNRPIOOFDOUNB-CZUORRHYSA-N 1 0 305.443 3.052 10 0 DGAERO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C[C@@H]1CC=CCC1 ZINC000543172177 314117989 /nfs/dbraw/zinc/11/79/89/314117989.db2.gz HCFMOTDZTNUXRY-ZBFHGGJFSA-N 1 0 309.837 3.368 10 0 DGAERO C[N@@H+](CC(=O)NCCCOC1CCCCC1)C[C@H]1CC=CCC1 ZINC000543179488 314118502 /nfs/dbraw/zinc/11/85/02/314118502.db2.gz YYBJCRSYEVOXCH-KRWDZBQOSA-N 1 0 322.493 3.130 10 0 DGAERO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)C[C@@H]1CC=CCC1 ZINC000543180088 314118536 /nfs/dbraw/zinc/11/85/36/314118536.db2.gz HAFOJWJYANTRPQ-CQSZACIVSA-N 1 0 316.401 3.032 10 0 DGAERO C[N@@H+](CC(=O)NCCCOC1CCCCC1)C[C@@H]1CC=CCC1 ZINC000543179489 314118590 /nfs/dbraw/zinc/11/85/90/314118590.db2.gz YYBJCRSYEVOXCH-QGZVFWFLSA-N 1 0 322.493 3.130 10 0 DGAERO c1ccc(COc2cccnc2N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000543708725 314151084 /nfs/dbraw/zinc/15/10/84/314151084.db2.gz NHXNXDUYCVLATQ-GOSISDBHSA-N 1 0 323.440 3.335 10 0 DGAERO COc1cccc2c1CC[N@H+](CCOc1ccc(F)cc1)C2 ZINC000543875615 314162571 /nfs/dbraw/zinc/16/25/71/314162571.db2.gz HHWOUOBAUKMDRS-UHFFFAOYSA-N 1 0 301.361 3.271 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000544136873 314176246 /nfs/dbraw/zinc/17/62/46/314176246.db2.gz MMFFQASRCMMODZ-HNNXBMFYSA-N 1 0 307.482 3.247 10 0 DGAERO CC[NH+](CC)CCN[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000544580465 314200989 /nfs/dbraw/zinc/20/09/89/314200989.db2.gz WFWRKRPDXJQPOK-KRWDZBQOSA-N 1 0 320.868 3.094 10 0 DGAERO c1cc(OCC2CCOCC2)ccc1OCC[NH+]1CCCCC1 ZINC000544847605 314213650 /nfs/dbraw/zinc/21/36/50/314213650.db2.gz MWROBRIRKQHLSR-UHFFFAOYSA-N 1 0 319.445 3.357 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)CC1 ZINC000545158773 314228364 /nfs/dbraw/zinc/22/83/64/314228364.db2.gz MTQKCRSACVGOKH-INIZCTEOSA-N 1 0 312.461 3.126 10 0 DGAERO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC12CCC2 ZINC000546049598 314287973 /nfs/dbraw/zinc/28/79/73/314287973.db2.gz HERFBRGFLQYZQQ-LBPRGKRZSA-N 1 0 316.228 3.362 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000546154690 314293612 /nfs/dbraw/zinc/29/36/12/314293612.db2.gz RNNVMZZTNDUYBD-MRXNPFEDSA-N 1 0 307.482 3.106 10 0 DGAERO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000546573461 314311915 /nfs/dbraw/zinc/31/19/15/314311915.db2.gz MBDHBSDAAFUGTO-IAGOWNOFSA-N 1 0 302.462 3.429 10 0 DGAERO CN1CCO[C@@H]([C@H]([NH2+]CCCC2CC2)c2ccc(Cl)cc2)C1 ZINC000547352988 314358943 /nfs/dbraw/zinc/35/89/43/314358943.db2.gz IBTHJRHWICSDCV-QZTJIDSGSA-N 1 0 322.880 3.492 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000547361519 314359836 /nfs/dbraw/zinc/35/98/36/314359836.db2.gz KNBCVFORLYBVAC-LPHOPBHVSA-N 1 0 313.441 3.210 10 0 DGAERO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccncc2C#N)CC1 ZINC000547501826 314374155 /nfs/dbraw/zinc/37/41/55/314374155.db2.gz HVALNDMTSONHJD-UHFFFAOYSA-N 1 0 320.440 3.302 10 0 DGAERO CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000548159964 314427398 /nfs/dbraw/zinc/42/73/98/314427398.db2.gz AEQNKFXURDFBMH-DZGCQCFKSA-N 1 0 318.417 3.302 10 0 DGAERO CC[C@@H](C)Oc1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000548800205 314475358 /nfs/dbraw/zinc/47/53/58/314475358.db2.gz GLOCNPYCPJIYLG-CQSZACIVSA-N 1 0 307.438 3.279 10 0 DGAERO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000549037848 314490848 /nfs/dbraw/zinc/49/08/48/314490848.db2.gz WTSJXMNIFJSYNT-DLBZAZTESA-N 1 0 311.429 3.473 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cncc(Br)c1 ZINC000563550340 315123860 /nfs/dbraw/zinc/12/38/60/315123860.db2.gz PTAGDIFDXFRMDL-MJVIPROJSA-N 1 0 313.239 3.046 10 0 DGAERO CCCCO[C@@H]1C[C@H]([NH2+]CC(=O)NC2CCCCC2)C1(C)C ZINC000563720531 315134022 /nfs/dbraw/zinc/13/40/22/315134022.db2.gz BNQQUQHNJJTBQK-JKSUJKDBSA-N 1 0 310.482 3.009 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CCCCC2)C1(C)C ZINC000563720528 315134191 /nfs/dbraw/zinc/13/41/91/315134191.db2.gz BNQQUQHNJJTBQK-HZPDHXFCSA-N 1 0 310.482 3.009 10 0 DGAERO c1c[nH]c([C@@H]([NH2+]C[C@@H]2CC23CCSCC3)c2cccnc2)n1 ZINC000565768909 315286281 /nfs/dbraw/zinc/28/62/81/315286281.db2.gz VFHDXNRWLJKASJ-GJZGRUSLSA-N 1 0 314.458 3.017 10 0 DGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CCC(C)(C)CC2)cc1 ZINC000567689705 315442134 /nfs/dbraw/zinc/44/21/34/315442134.db2.gz PGYURUIEIFFNET-QGZVFWFLSA-N 1 0 319.445 3.187 10 0 DGAERO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCOCC1CCC1 ZINC000574266068 315948582 /nfs/dbraw/zinc/94/85/82/315948582.db2.gz DRWNQLUTCBXNOH-UHFFFAOYSA-N 1 0 313.445 3.395 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]CC3=CCOCC3)CC23CC3)cc1 ZINC000574810837 316002919 /nfs/dbraw/zinc/00/29/19/316002919.db2.gz PFVXJPBDHJLDJJ-LJQANCHMSA-N 1 0 312.457 3.120 10 0 DGAERO c1ccc(OCCCC[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000575244309 316045959 /nfs/dbraw/zinc/04/59/59/316045959.db2.gz CXKYKBORGBIRSH-UHFFFAOYSA-N 1 0 313.397 3.407 10 0 DGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CC(C(C)(C)C)C2)cc1 ZINC000576748501 316162471 /nfs/dbraw/zinc/16/24/71/316162471.db2.gz JNALOPHGJSLKGC-OFLPRAFFSA-N 1 0 319.445 3.043 10 0 DGAERO COc1cccc(CCC[N@@H+]2CCC[C@H]2C(=O)OC(C)C)c1 ZINC000576873360 316176641 /nfs/dbraw/zinc/17/66/41/316176641.db2.gz OITQYLQCTRFRJV-KRWDZBQOSA-N 1 0 305.418 3.044 10 0 DGAERO c1cnnc(N2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)c1 ZINC000577437978 316235702 /nfs/dbraw/zinc/23/57/02/316235702.db2.gz FQQJTSDLRVPUOD-UHFFFAOYSA-N 1 0 322.456 3.456 10 0 DGAERO CCC[C@@H](C)C[NH+]1CCN(CCCOCC(F)(F)F)CC1 ZINC000179858243 323216306 /nfs/dbraw/zinc/21/63/06/323216306.db2.gz KVFULOAMXYOYHB-CQSZACIVSA-N 1 0 310.404 3.009 10 0 DGAERO C[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CN1CCOCC1 ZINC000180125813 323222060 /nfs/dbraw/zinc/22/20/60/323222060.db2.gz JMYPQRCKYAYGPV-KSSFIOAISA-N 1 0 322.880 3.349 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccn3c2)[C@@H]1c1ccccc1 ZINC000180165882 323222487 /nfs/dbraw/zinc/22/24/87/323222487.db2.gz NYIJMDSDGMNYTR-MOPGFXCFSA-N 1 0 319.408 3.115 10 0 DGAERO O=C(CCCc1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000180472307 323230173 /nfs/dbraw/zinc/23/01/73/323230173.db2.gz XMNHIMVBFDYZEE-FQEVSTJZSA-N 1 0 322.452 3.469 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc(-c2ccccc2)c1 ZINC000180499882 323231465 /nfs/dbraw/zinc/23/14/65/323231465.db2.gz ZRAPYRGINAEMIQ-OXJNMPFZSA-N 1 0 310.441 3.335 10 0 DGAERO CCC(CC)n1nc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1C ZINC000180701109 323236539 /nfs/dbraw/zinc/23/65/39/323236539.db2.gz XGBVFJJPSAGXQK-HNNXBMFYSA-N 1 0 322.497 3.259 10 0 DGAERO C[C@@H](CNC(=O)c1c[nH]c2cc(F)ccc12)C[NH+]1CCCCC1 ZINC000181161189 323247314 /nfs/dbraw/zinc/24/73/14/323247314.db2.gz KFKDRSFPKBJHIR-ZDUSSCGKSA-N 1 0 317.408 3.159 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCc2c(C)nn(C)c2C)C1(CC)CC ZINC000181440342 323254280 /nfs/dbraw/zinc/25/42/80/323254280.db2.gz PEEGLIIJJOXMIK-IRXDYDNUSA-N 1 0 307.482 3.153 10 0 DGAERO Clc1ccc(Br)c(CC[NH2+][C@H]2CCCOC2)c1 ZINC000181499081 323256859 /nfs/dbraw/zinc/25/68/59/323256859.db2.gz DBHJKTDSHCRRFT-LBPRGKRZSA-N 1 0 318.642 3.414 10 0 DGAERO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCc1nc(C(C)C)no1 ZINC000181667337 323263235 /nfs/dbraw/zinc/26/32/35/323263235.db2.gz KFBAYXDFJALJHG-UONOGXRCSA-N 1 0 309.454 3.309 10 0 DGAERO CCC1(CC)[C@H]([NH2+]CCCc2nc(C(C)C)no2)C[C@H]1OC ZINC000181667320 323263391 /nfs/dbraw/zinc/26/33/91/323263391.db2.gz KFBAYXDFJALJHG-ZIAGYGMSSA-N 1 0 309.454 3.309 10 0 DGAERO Cc1ccc(CCC[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000181800317 323270348 /nfs/dbraw/zinc/27/03/48/323270348.db2.gz XBAOEVZTJTVEIC-LJQANCHMSA-N 1 0 324.472 3.318 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2ccc(C)cc2)C[C@@H]1CC ZINC000181819288 323270774 /nfs/dbraw/zinc/27/07/74/323270774.db2.gz HCHROHHTEGGIKT-FQEVSTJZSA-N 1 0 318.505 3.360 10 0 DGAERO CC[C@H]1CN(CCCc2ccccc2Cl)CC[N@@H+]1CCOC ZINC000181818529 323270844 /nfs/dbraw/zinc/27/08/44/323270844.db2.gz MGXZDAXXRYESNZ-KRWDZBQOSA-N 1 0 324.896 3.315 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)CC(C)C)cc1F ZINC000182008482 323279803 /nfs/dbraw/zinc/27/98/03/323279803.db2.gz PLEICTWMYKQVRZ-KGLIPLIRSA-N 1 0 324.440 3.378 10 0 DGAERO C[C@@H](C[NH2+]CCC(=O)N1CCCCCC1)Cc1ccccc1 ZINC000182075388 323282698 /nfs/dbraw/zinc/28/26/98/323282698.db2.gz PTZIIPCKICGALF-QGZVFWFLSA-N 1 0 302.462 3.248 10 0 DGAERO CCSc1ccc([C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)cc1 ZINC000182129859 323283974 /nfs/dbraw/zinc/28/39/74/323283974.db2.gz ZYKRLHQHRDLTIS-STQMWFEESA-N 1 0 315.504 3.130 10 0 DGAERO CCCC[C@@H]([NH2+]CCC(=O)NC(C)C)c1ccc(OC)cc1 ZINC000182154792 323284819 /nfs/dbraw/zinc/28/48/19/323284819.db2.gz YEEKGLVWRMYTQQ-QGZVFWFLSA-N 1 0 306.450 3.431 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H]1CCCOc2ccccc21 ZINC000182227280 323288114 /nfs/dbraw/zinc/28/81/14/323288114.db2.gz FJUORPGLSPAZSR-FZKQIMNGSA-N 1 0 313.445 3.471 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000182359885 323295342 /nfs/dbraw/zinc/29/53/42/323295342.db2.gz YVHDGMREFUVTRN-IRXDYDNUSA-N 1 0 318.461 3.297 10 0 DGAERO CC[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000182565636 323304586 /nfs/dbraw/zinc/30/45/86/323304586.db2.gz FCVZSBJTFNMJBM-FUHWJXTLSA-N 1 0 320.477 3.281 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(Cl)cc1Cl ZINC000182713053 323309798 /nfs/dbraw/zinc/30/97/98/323309798.db2.gz KIMXFQNLQPLQEJ-CHWSQXEVSA-N 1 0 314.260 3.447 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000183053953 323322973 /nfs/dbraw/zinc/32/29/73/323322973.db2.gz UJKXBMCXMQVSCY-BRWVUGGUSA-N 1 0 302.466 3.204 10 0 DGAERO CC[C@@H]([NH2+]CCc1ccc(OC)cc1Cl)c1nccn1C ZINC000183123348 323327109 /nfs/dbraw/zinc/32/71/09/323327109.db2.gz KEIOHYRQZWWOFZ-OAHLLOKOSA-N 1 0 307.825 3.366 10 0 DGAERO CC[C@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)c1nccn1C ZINC000183348073 323334640 /nfs/dbraw/zinc/33/46/40/323334640.db2.gz WVQVORADHRPHQB-INIZCTEOSA-N 1 0 309.417 3.155 10 0 DGAERO CCC(C)(C)c1ccc(C[NH2+][C@H](C)CS(=O)(=O)CC)cc1 ZINC000183378499 323336749 /nfs/dbraw/zinc/33/67/49/323336749.db2.gz YFZOQJBBIOCDIQ-CQSZACIVSA-N 1 0 311.491 3.287 10 0 DGAERO CC(C)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccccc1Cl ZINC000183700858 323345584 /nfs/dbraw/zinc/34/55/84/323345584.db2.gz UQGLVTODLQHQHT-WFASDCNBSA-N 1 0 317.882 3.307 10 0 DGAERO CC[C@@H]([NH2+]CCCn1ccnn1)c1ccc(OC(F)F)cc1 ZINC000184272611 323360951 /nfs/dbraw/zinc/36/09/51/323360951.db2.gz CKGQZWHTDUUNCZ-CQSZACIVSA-N 1 0 310.348 3.011 10 0 DGAERO CC[C@@H](NCc1nnc(-c2ccccc2)n1C)c1nccs1 ZINC000185049173 323379894 /nfs/dbraw/zinc/37/98/94/323379894.db2.gz GNFPKSVDWPCIHF-CYBMUJFWSA-N 1 0 313.430 3.180 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1ccc(C)cc1OCC(F)(F)F ZINC000188141903 323422876 /nfs/dbraw/zinc/42/28/76/323422876.db2.gz AHPKYILGPHJYFK-LBPRGKRZSA-N 1 0 305.340 3.308 10 0 DGAERO c1[nH+]cn2ccc(-c3noc([C@@H]4CCOc5ccccc54)n3)cc12 ZINC000351097659 323544498 /nfs/dbraw/zinc/54/44/98/323544498.db2.gz RKTJRJAURCRTHT-OAHLLOKOSA-N 1 0 318.336 3.299 10 0 DGAERO c1c[nH]c(-c2noc(-c3cccc(C[NH+]4CCCCC4)c3)n2)n1 ZINC000351183700 323565677 /nfs/dbraw/zinc/56/56/77/323565677.db2.gz FNIZHFYQMVBDEL-UHFFFAOYSA-N 1 0 309.373 3.113 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)ccc1Br ZINC000380682117 323613302 /nfs/dbraw/zinc/61/33/02/323613302.db2.gz QTTPAJNTEDIWFH-UONOGXRCSA-N 1 0 312.251 3.398 10 0 DGAERO CC/C=C/C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000384945905 323630331 /nfs/dbraw/zinc/63/03/31/323630331.db2.gz UTAIOIXPPLWPBQ-UFFNRZRYSA-N 1 0 304.217 3.289 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000579212032 323838145 /nfs/dbraw/zinc/83/81/45/323838145.db2.gz NCSKNVVYEKSZLV-LJQANCHMSA-N 1 0 318.424 3.053 10 0 DGAERO c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000580736829 324032907 /nfs/dbraw/zinc/03/29/07/324032907.db2.gz HBZNDZNZRDCWEC-VVLHAWIVSA-N 1 0 301.430 3.348 10 0 DGAERO c1ccc2c(c1)CC(C[NH2+][C@@H]1CCOC3(CCSCC3)C1)C2 ZINC000583056236 324306897 /nfs/dbraw/zinc/30/68/97/324306897.db2.gz FQXOXGKLGFYHRR-GOSISDBHSA-N 1 0 317.498 3.436 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)CCN1Cc1ccccc1 ZINC000583726902 324389251 /nfs/dbraw/zinc/38/92/51/324389251.db2.gz IKFYIZBSAJZKMP-YLJYHZDGSA-N 1 0 316.489 3.446 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1C ZINC000584290239 332219057 /nfs/dbraw/zinc/21/90/57/332219057.db2.gz NJUVFYYVBORLOT-IRXDYDNUSA-N 1 0 302.418 3.434 10 0 DGAERO COCCCOc1cc(C[C@@H]([NH3+])C(C)C)cc(Cl)c1F ZINC000584595019 337373911 /nfs/dbraw/zinc/37/39/11/337373911.db2.gz SIDLTFWURRXMHN-CYBMUJFWSA-N 1 0 303.805 3.420 10 0 DGAERO O[C@H](c1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584596016 337374106 /nfs/dbraw/zinc/37/41/06/337374106.db2.gz IDLIPEVHTHEYBR-IXDOHACOSA-N 1 0 309.837 3.264 10 0 DGAERO C[NH+](C)CCN1c2ccccc2C(c2ccccc2)=CCC1=O ZINC000584626314 337376005 /nfs/dbraw/zinc/37/60/05/337376005.db2.gz JVSKTADKESJYND-UHFFFAOYSA-N 1 0 306.409 3.417 10 0 DGAERO C[C@@H](C[NH+]1CCC(O)(c2ccccc2)CC1)Nc1ccccc1 ZINC000584636772 337379360 /nfs/dbraw/zinc/37/93/60/337379360.db2.gz AQSBZBIBZYJUJS-KRWDZBQOSA-N 1 0 310.441 3.471 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](N2c3ccccc3CCc3ccccc32)[C@@H]1O ZINC000584641449 337380029 /nfs/dbraw/zinc/38/00/29/337380029.db2.gz YZLMMWJGHAKXPR-PWIZWCRZSA-N 1 0 308.425 3.164 10 0 DGAERO COc1cc(C[NH2+]C2(C(C)C)CC2)cc(Br)c1O ZINC000292993804 533867888 /nfs/dbraw/zinc/86/78/88/533867888.db2.gz MLYFXCASOBJUHX-UHFFFAOYSA-N 1 0 314.223 3.442 10 0 DGAERO Cc1c(NC(=O)N(C)CCC[NH+]2CCCC2)cccc1N(C)C ZINC000439365957 533902293 /nfs/dbraw/zinc/90/22/93/533902293.db2.gz ALCNADLZMQKARO-UHFFFAOYSA-N 1 0 318.465 3.011 10 0 DGAERO CS[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000178771611 534014120 /nfs/dbraw/zinc/01/41/20/534014120.db2.gz MWZVXTFKLLBTGZ-PREGVCBESA-N 1 0 320.502 3.327 10 0 DGAERO C[C@@H](C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1)c1ccccc1 ZINC000177406097 534087550 /nfs/dbraw/zinc/08/75/50/534087550.db2.gz QAKBHDVNVVWARO-UGSOOPFHSA-N 1 0 316.832 3.434 10 0 DGAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000328652220 534318325 /nfs/dbraw/zinc/31/83/25/534318325.db2.gz WFWWBXDOBCUMTJ-KYHPRHEASA-N 1 0 303.450 3.056 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000310754364 534382963 /nfs/dbraw/zinc/38/29/63/534382963.db2.gz WNHUBKARYAQSOQ-NEPJUHHUSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000181297527 519690266 /nfs/dbraw/zinc/69/02/66/519690266.db2.gz ALRLABNTMMSXSL-KXBFYZLASA-N 1 0 323.440 3.409 10 0 DGAERO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181299857 519734672 /nfs/dbraw/zinc/73/46/72/519734672.db2.gz OCVGHCSEBZHZSC-OAHLLOKOSA-N 1 0 311.429 3.171 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sccc1COC ZINC000179869412 520636724 /nfs/dbraw/zinc/63/67/24/520636724.db2.gz UBXVPRDJSNVYMY-ZDUSSCGKSA-N 1 0 312.479 3.135 10 0 DGAERO CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732258 520682007 /nfs/dbraw/zinc/68/20/07/520682007.db2.gz IGUMYGBCVLWJLG-CBZIJGRNSA-N 1 0 314.477 3.250 10 0 DGAERO CCC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccccn1 ZINC000158602659 520781783 /nfs/dbraw/zinc/78/17/83/520781783.db2.gz AUDQSJQSEVDBHW-MRXNPFEDSA-N 1 0 307.401 3.293 10 0 DGAERO c1nc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)co1 ZINC000432921625 534525776 /nfs/dbraw/zinc/52/57/76/534525776.db2.gz DYACAIPDWYLLOL-UHFFFAOYSA-N 1 0 316.401 3.125 10 0 DGAERO CCN(Cc1c(F)cccc1F)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000157552338 521279704 /nfs/dbraw/zinc/27/97/04/521279704.db2.gz KHQGZVJFZLCZAY-DQYPLSBCSA-N 1 0 322.399 3.234 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(c2ncnc3c(C)csc32)C1 ZINC000189984248 521493766 /nfs/dbraw/zinc/49/37/66/521493766.db2.gz QJFNYWAVOUMCLH-ZDUSSCGKSA-N 1 0 304.463 3.168 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000156377453 521916646 /nfs/dbraw/zinc/91/66/46/521916646.db2.gz OGXAYCDBPMKBOY-RBUKOAKNSA-N 1 0 308.425 3.282 10 0 DGAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000156998046 522008128 /nfs/dbraw/zinc/00/81/28/522008128.db2.gz ILJGSGUTGLYTNA-OAHLLOKOSA-N 1 0 316.426 3.309 10 0 DGAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)s1 ZINC000163325339 522010301 /nfs/dbraw/zinc/01/03/01/522010301.db2.gz SYAHIBGLSHBDFC-NSHDSACASA-N 1 0 322.455 3.371 10 0 DGAERO COc1cc(Br)ccc1C[NH2+]Cc1cccn1C ZINC000180952561 522029395 /nfs/dbraw/zinc/02/93/95/522029395.db2.gz WJJZBFCEJQNVBM-UHFFFAOYSA-N 1 0 309.207 3.086 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1CCCN1CCOC)c1ccc(F)cc1F ZINC000163380895 522616602 /nfs/dbraw/zinc/61/66/02/522616602.db2.gz LXZMBHSZXOYUFN-YOEHRIQHSA-N 1 0 312.404 3.116 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1CCCN1CCOC)c1ccc(F)cc1F ZINC000163381134 522631696 /nfs/dbraw/zinc/63/16/96/522631696.db2.gz LXZMBHSZXOYUFN-PBHICJAKSA-N 1 0 312.404 3.116 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Br)o1 ZINC000191115313 523482298 /nfs/dbraw/zinc/48/22/98/523482298.db2.gz VDQDEZBZYBNVHA-VXGBXAGGSA-N 1 0 313.239 3.101 10 0 DGAERO Cc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)nc(-c2ccncc2)n1 ZINC000156659593 525290473 /nfs/dbraw/zinc/29/04/73/525290473.db2.gz JFXJLGCBNPIBBS-AWEZNQCLSA-N 1 0 313.449 3.235 10 0 DGAERO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCCC12CCC2 ZINC000444784991 534850228 /nfs/dbraw/zinc/85/02/28/534850228.db2.gz XBXMXHFLFHGIOM-UHFFFAOYSA-N 1 0 312.413 3.081 10 0 DGAERO C[C@@H]([NH2+]CCCn1ccnn1)c1ccc(OC(C)(C)C)cc1 ZINC000157427797 525445235 /nfs/dbraw/zinc/44/52/35/525445235.db2.gz SNDUWIBRMOGKQM-CQSZACIVSA-N 1 0 302.422 3.196 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C(C)(C)C ZINC000157237613 525448292 /nfs/dbraw/zinc/44/82/92/525448292.db2.gz SYKQVWREKKLIHL-ZNMIVQPWSA-N 1 0 305.466 3.219 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccncc1 ZINC000156765978 525619640 /nfs/dbraw/zinc/61/96/40/525619640.db2.gz HJJJZHIEBRITBP-JSGCOSHPSA-N 1 0 302.809 3.060 10 0 DGAERO Cc1ccc(-c2ccc(C(=O)NCCC[NH3+])c(F)c2)cc1C ZINC000237800729 525748663 /nfs/dbraw/zinc/74/86/63/525748663.db2.gz BRGYJHPYLQACCK-UHFFFAOYSA-N 1 0 300.377 3.188 10 0 DGAERO Cc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC000103206224 526084054 /nfs/dbraw/zinc/08/40/54/526084054.db2.gz AEOTUOPIXCZXOZ-UHFFFAOYSA-N 1 0 306.837 3.349 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CO)Cc1ccccc1)CCCO2 ZINC000158250042 526212053 /nfs/dbraw/zinc/21/20/53/526212053.db2.gz QEZLZDVKHCYRNJ-IEBWSBKVSA-N 1 0 311.425 3.402 10 0 DGAERO CC(C)(C)[NH2+]CCNC(=O)c1ncoc1-c1ccccc1Cl ZINC000174237055 526331245 /nfs/dbraw/zinc/33/12/45/526331245.db2.gz OTCBTLGAAYPDQZ-UHFFFAOYSA-N 1 0 321.808 3.113 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)no1 ZINC000158159294 526425385 /nfs/dbraw/zinc/42/53/85/526425385.db2.gz LAHPBRWTJWRRSI-HNNXBMFYSA-N 1 0 308.385 3.444 10 0 DGAERO c1ccc(-c2nc(N3CCCC[C@@H]([NH+]4CCCC4)C3)no2)cc1 ZINC000157484388 526453593 /nfs/dbraw/zinc/45/35/93/526453593.db2.gz UVYCPGZKGUMMSU-MRXNPFEDSA-N 1 0 312.417 3.191 10 0 DGAERO Cc1nc(C[NH+]2CCC([C@@H]3CCCO3)CC2)nc2ccccc12 ZINC000189221238 526852311 /nfs/dbraw/zinc/85/23/11/526852311.db2.gz FYSYRQFQNANGHQ-SFHVURJKSA-N 1 0 311.429 3.329 10 0 DGAERO CO[C@@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000449393305 536508401 /nfs/dbraw/zinc/50/84/01/536508401.db2.gz MDZVTZVDJACRGE-MRXNPFEDSA-N 1 0 311.385 3.017 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1Cl ZINC000415437171 527301869 /nfs/dbraw/zinc/30/18/69/527301869.db2.gz AGNIYRVZDXUAIA-BONVTDFDSA-N 1 0 323.824 3.134 10 0 DGAERO O=c1cc(C[NH+]2CCCC2)nc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000073637708 527477062 /nfs/dbraw/zinc/47/70/62/527477062.db2.gz VGDBGGSFHITTOQ-UHFFFAOYSA-N 1 0 323.318 3.052 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000302577294 527617345 /nfs/dbraw/zinc/61/73/45/527617345.db2.gz CZRGMPFCLXCWCV-NWDGAFQWSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)CCn1cccc1C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000328626493 527887015 /nfs/dbraw/zinc/88/70/15/527887015.db2.gz FDECLWGLOQYJMQ-MRXNPFEDSA-N 1 0 300.450 3.083 10 0 DGAERO CC1(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCC1 ZINC000177347092 527958043 /nfs/dbraw/zinc/95/80/43/527958043.db2.gz NHYVKECEBUGKIG-OAHLLOKOSA-N 1 0 319.449 3.296 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)Nc1nc([C@@H](C)OC)ns1 ZINC000312325687 528117553 /nfs/dbraw/zinc/11/75/53/528117553.db2.gz IDEVJFWGZHKIEA-VXGBXAGGSA-N 1 0 300.472 3.168 10 0 DGAERO CCOc1c(F)cccc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000175114712 528181437 /nfs/dbraw/zinc/18/14/37/528181437.db2.gz WOTRLKHWWIZGEA-UHFFFAOYSA-N 1 0 322.424 3.263 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000434575853 528220034 /nfs/dbraw/zinc/22/00/34/528220034.db2.gz PIBVDSIWLKPHQX-BPQIPLTHSA-N 1 0 300.446 3.265 10 0 DGAERO CCCOc1ccc(CNC(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000444782369 528668833 /nfs/dbraw/zinc/66/88/33/528668833.db2.gz QSAYGXBSCQISQX-UHFFFAOYSA-N 1 0 316.445 3.110 10 0 DGAERO CC(C)Cc1nsc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000302309200 528685447 /nfs/dbraw/zinc/68/54/47/528685447.db2.gz SFQQLYKPXKOHIO-AWEZNQCLSA-N 1 0 308.495 3.049 10 0 DGAERO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCCC12CCC2 ZINC000444775842 528807386 /nfs/dbraw/zinc/80/73/86/528807386.db2.gz ARYLVBMCXBTVFO-UHFFFAOYSA-N 1 0 304.409 3.193 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC12CCC2 ZINC000444784099 528946235 /nfs/dbraw/zinc/94/62/35/528946235.db2.gz URUZAAQPOOAFQK-UHFFFAOYSA-N 1 0 300.446 3.442 10 0 DGAERO CCSCC[NH2+]CCc1cc(Br)ccc1F ZINC000309904673 529180681 /nfs/dbraw/zinc/18/06/81/529180681.db2.gz JQTCFDBPMRGJEF-UHFFFAOYSA-N 1 0 306.244 3.473 10 0 DGAERO CC(C)[NH+](CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C)C(C)C ZINC000471481792 535067170 /nfs/dbraw/zinc/06/71/70/535067170.db2.gz VZGOJGMHKIVHOV-CHWSQXEVSA-N 1 0 323.403 3.088 10 0 DGAERO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000451417250 535125922 /nfs/dbraw/zinc/12/59/22/535125922.db2.gz KXTJYNNYMKOZLM-BYNSBNAKSA-N 1 0 307.438 3.099 10 0 DGAERO CC(C)[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451575089 535150436 /nfs/dbraw/zinc/15/04/36/535150436.db2.gz WVQKSNCIZYBUCI-UKRRQHHQSA-N 1 0 312.251 3.255 10 0 DGAERO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CS1 ZINC000488417480 535269586 /nfs/dbraw/zinc/26/95/86/535269586.db2.gz DUUNCQSJBPJXPI-WBVHZDCISA-N 1 0 301.459 3.492 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@@H]1SC ZINC000459421201 535412032 /nfs/dbraw/zinc/41/20/32/535412032.db2.gz DHSMIBLDAYGSDC-MCIONIFRSA-N 1 0 317.401 3.287 10 0 DGAERO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449092866 535573800 /nfs/dbraw/zinc/57/38/00/535573800.db2.gz VMABPOPAGDRWGG-CQSZACIVSA-N 1 0 314.429 3.243 10 0 DGAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)Cc1c(OC)cc(OC)cc1OC ZINC000449469883 535823643 /nfs/dbraw/zinc/82/36/43/535823643.db2.gz VNUAMYDZMZAZDC-ZENOOKHLSA-N 1 0 307.434 3.422 10 0 DGAERO CCn1nncc1C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000459393833 535928315 /nfs/dbraw/zinc/92/83/15/535928315.db2.gz FXJPEYTYXXPHLW-KNXALSJPSA-N 1 0 304.825 3.438 10 0 DGAERO C[N@H+](CCCCNC(=O)Nc1cccc2c1OCCC2)C1CC1 ZINC000454953128 536338073 /nfs/dbraw/zinc/33/80/73/536338073.db2.gz HWZNXYCNJJJCGX-UHFFFAOYSA-N 1 0 317.433 3.008 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000007587007 545647629 /nfs/dbraw/zinc/64/76/29/545647629.db2.gz MDZKXWOQPLSDRE-HOCLYGCPSA-N 1 0 302.418 3.288 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000047925020 545685841 /nfs/dbraw/zinc/68/58/41/545685841.db2.gz HISLUTHSASDFNR-NEPJUHHUSA-N 1 0 313.392 3.055 10 0 DGAERO COc1cc(C[NH2+][C@H](C)c2ccsc2)cc2c1OCCO2 ZINC000061361710 545703299 /nfs/dbraw/zinc/70/32/99/545703299.db2.gz LZVFNUZKJIKUFG-LLVKDONJSA-N 1 0 305.399 3.379 10 0 DGAERO CC(C)[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078435381 545748608 /nfs/dbraw/zinc/74/86/08/545748608.db2.gz BKDDXAWLJMXEDG-OAHLLOKOSA-N 1 0 303.450 3.126 10 0 DGAERO CC(C)c1csc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)n1 ZINC000087618753 545805866 /nfs/dbraw/zinc/80/58/66/545805866.db2.gz AYDYZVQQFSNYNV-ZDUSSCGKSA-N 1 0 301.415 3.092 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000089449907 545814548 /nfs/dbraw/zinc/81/45/48/545814548.db2.gz LXJRVINRINMVHP-WCQYABFASA-N 1 0 315.244 3.027 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000089454580 545815209 /nfs/dbraw/zinc/81/52/09/545815209.db2.gz HQAFNGGYSXNGAT-GXTWGEPZSA-N 1 0 301.415 3.124 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000089454849 545815211 /nfs/dbraw/zinc/81/52/11/545815211.db2.gz GESQGQCQBQJSPZ-JSGCOSHPSA-N 1 0 301.415 3.124 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455986 545815259 /nfs/dbraw/zinc/81/52/59/545815259.db2.gz QFTNTKDLPBOBFC-GXFFZTMASA-N 1 0 315.244 3.327 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC000093585399 545858109 /nfs/dbraw/zinc/85/81/09/545858109.db2.gz CNBGVRGAXHHOLU-RHSMWYFYSA-N 1 0 317.458 3.265 10 0 DGAERO O=C1CC[C@@H](C[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)N1 ZINC000096715514 545862947 /nfs/dbraw/zinc/86/29/47/545862947.db2.gz DIOANYHKQNIKHP-ZETCQYMHSA-N 1 0 307.608 3.015 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000123169670 545904522 /nfs/dbraw/zinc/90/45/22/545904522.db2.gz GWCATSCBYRFCNH-YDHLFZDLSA-N 1 0 319.424 3.120 10 0 DGAERO Clc1ccc([C@@H]2CSCCN2Cc2cncnc2)cc1 ZINC000128337303 545937036 /nfs/dbraw/zinc/93/70/36/545937036.db2.gz OZBKHLGEQQNXSE-HNNXBMFYSA-N 1 0 305.834 3.420 10 0 DGAERO c1cc(C[N@H+](Cc2cncnc2)C2CCCC2)cc2c1OCC2 ZINC000131435312 545957509 /nfs/dbraw/zinc/95/75/09/545957509.db2.gz UJTFNTMSIUHBEP-UHFFFAOYSA-N 1 0 309.413 3.356 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000136374093 545981929 /nfs/dbraw/zinc/98/19/29/545981929.db2.gz MOFZFNPCLDIXFC-GFCCVEGCSA-N 1 0 303.233 3.325 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000136375064 545981619 /nfs/dbraw/zinc/98/16/19/545981619.db2.gz PHABWERAAPRCFO-ZDUSSCGKSA-N 1 0 303.233 3.325 10 0 DGAERO Cc1nc(-c2ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc2)cs1 ZINC000136428419 545981844 /nfs/dbraw/zinc/98/18/44/545981844.db2.gz HQNMXLYTFSDWCV-AWEZNQCLSA-N 1 0 303.431 3.430 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000136488986 545982065 /nfs/dbraw/zinc/98/20/65/545982065.db2.gz XIIJTDNHKCLUCZ-NSHDSACASA-N 1 0 319.630 3.414 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137111752 545983829 /nfs/dbraw/zinc/98/38/29/545983829.db2.gz HQEJAADNPDPLAS-GHMZBOCLSA-N 1 0 318.642 3.496 10 0 DGAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137111723 545984174 /nfs/dbraw/zinc/98/41/74/545984174.db2.gz HQEJAADNPDPLAS-QWRGUYRKSA-N 1 0 318.642 3.496 10 0 DGAERO Fc1ccc(SCC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152388889 546002563 /nfs/dbraw/zinc/00/25/63/546002563.db2.gz OVVDQTHBWSPURI-MRXNPFEDSA-N 1 0 318.417 3.466 10 0 DGAERO CCc1nn(C)cc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000179906973 546139037 /nfs/dbraw/zinc/13/90/37/546139037.db2.gz ZAEZDTTWOGHURQ-UHFFFAOYSA-N 1 0 317.408 3.165 10 0 DGAERO c1ncc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cn1 ZINC000180162899 546142521 /nfs/dbraw/zinc/14/25/21/546142521.db2.gz FUMAAJRIYZUNKW-AWEZNQCLSA-N 1 0 314.458 3.192 10 0 DGAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180731209 546148498 /nfs/dbraw/zinc/14/84/98/546148498.db2.gz GYVHMPVVKCJHIR-MNOVXSKESA-N 1 0 300.805 3.290 10 0 DGAERO COc1ccc([C@@H](CO)[N@H+](C)Cc2cccc3cnccc32)cc1 ZINC000183304041 546175503 /nfs/dbraw/zinc/17/55/03/546175503.db2.gz WRNKODSFHJHRMV-HXUWFJFHSA-N 1 0 322.408 3.409 10 0 DGAERO CC/C=C/CC[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000184524281 546182881 /nfs/dbraw/zinc/18/28/81/546182881.db2.gz MQGOSBTYOGXMPZ-VOTSOKGWSA-N 1 0 304.482 3.112 10 0 DGAERO CCc1nn(C)cc1C[N@H+]1CCN(c2ccccc2)C[C@@H]1CC ZINC000184417847 546182987 /nfs/dbraw/zinc/18/29/87/546182987.db2.gz URCDRQPPSVFHHO-KRWDZBQOSA-N 1 0 312.461 3.083 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc(CC)cc2)C12CCOCC2 ZINC000186346091 546193909 /nfs/dbraw/zinc/19/39/09/546193909.db2.gz RFYFYJGSGJNZHQ-MOPGFXCFSA-N 1 0 317.473 3.355 10 0 DGAERO CCc1nn(C)cc1C[NH2+]CCc1cn(C)c2cc(C)ccc12 ZINC000186546529 546195209 /nfs/dbraw/zinc/19/52/09/546195209.db2.gz AHPFKDLSBBBUNH-UHFFFAOYSA-N 1 0 310.445 3.115 10 0 DGAERO Cc1cc(N[C@@H]2CCCOC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000188701435 546207075 /nfs/dbraw/zinc/20/70/75/546207075.db2.gz NTDJUIVUCQBJJA-QGZVFWFLSA-N 1 0 317.477 3.116 10 0 DGAERO COc1cccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1F ZINC000192947425 546239324 /nfs/dbraw/zinc/23/93/24/546239324.db2.gz FDBKUAVSYWRNSV-INIZCTEOSA-N 1 0 306.425 3.285 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Br)ccc1F ZINC000211723284 546259412 /nfs/dbraw/zinc/25/94/12/546259412.db2.gz MTDILXJMYZQXEP-CMPLNLGQSA-N 1 0 315.230 3.333 10 0 DGAERO CC1(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CCC1 ZINC000230699608 546275083 /nfs/dbraw/zinc/27/50/83/546275083.db2.gz TWVNSEJOMPOBMU-UHFFFAOYSA-N 1 0 301.839 3.023 10 0 DGAERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c(Cl)c1 ZINC000248572472 546319057 /nfs/dbraw/zinc/31/90/57/546319057.db2.gz GKYPLMSSCTVWCY-SLEUVZQESA-N 1 0 310.825 3.133 10 0 DGAERO C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261659314 546337796 /nfs/dbraw/zinc/33/77/96/546337796.db2.gz FCFLHWXMXQAPQI-JHJVBQTASA-N 1 0 317.458 3.191 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000261754630 546338472 /nfs/dbraw/zinc/33/84/72/546338472.db2.gz MYFQMXUFMFXQDG-VQIMIIECSA-N 1 0 324.424 3.470 10 0 DGAERO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312606344 546453018 /nfs/dbraw/zinc/45/30/18/546453018.db2.gz RJMKYNDXRWLNAS-QZTNRIJFSA-N 1 0 300.276 3.302 10 0 DGAERO c1c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085872 546468915 /nfs/dbraw/zinc/46/89/15/546468915.db2.gz SRTXMYDOGPAWPE-WMZOPIPTSA-N 1 0 311.429 3.306 10 0 DGAERO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc4cc[nH]c4c3)n1)OC2 ZINC000329588513 546487500 /nfs/dbraw/zinc/48/75/00/546487500.db2.gz NAEMKOHOXUJPRA-YJBOKZPZSA-N 1 0 324.384 3.144 10 0 DGAERO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c(C)c1 ZINC000329642916 546489264 /nfs/dbraw/zinc/48/92/64/546489264.db2.gz AGJAIMSYDQIIJR-CRAIPNDOSA-N 1 0 313.401 3.279 10 0 DGAERO C[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCC[C@@H](O)C1 ZINC000394113184 546760504 /nfs/dbraw/zinc/76/05/04/546760504.db2.gz NEGSNASOENJSDB-DZGCQCFKSA-N 1 0 312.251 3.432 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)CCN1Cc1ccccc1 ZINC000379628622 546735481 /nfs/dbraw/zinc/73/54/81/546735481.db2.gz NUCDRHZRTOIHRK-PYXOFJJQSA-N 1 0 316.489 3.180 10 0 DGAERO O=C(CC[NH2+]C1CC1)Nc1ccccc1OCc1ccccc1 ZINC000381013032 546737268 /nfs/dbraw/zinc/73/72/68/546737268.db2.gz SZROKQMKVAGYNM-UHFFFAOYSA-N 1 0 310.397 3.346 10 0 DGAERO CC1(C[NH2+]Cc2ccsc2Br)CCOCC1 ZINC000390403457 546753873 /nfs/dbraw/zinc/75/38/73/546753873.db2.gz ARUSYFGLBHNBFG-UHFFFAOYSA-N 1 0 304.253 3.417 10 0 DGAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000393906760 546760034 /nfs/dbraw/zinc/76/00/34/546760034.db2.gz NKBVNOTVADUHGB-GUDVDZBRSA-N 1 0 303.446 3.076 10 0 DGAERO OC1CCC(C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000394971156 546761684 /nfs/dbraw/zinc/76/16/84/546761684.db2.gz NMDFRENMGJCABJ-UHFFFAOYSA-N 1 0 316.214 3.229 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667819314 547312270 /nfs/dbraw/zinc/31/22/70/547312270.db2.gz TWXAYXNUYMSXGY-AQNXPRMDSA-N 1 0 314.473 3.198 10 0 DGAERO c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000671120302 547771076 /nfs/dbraw/zinc/77/10/76/547771076.db2.gz FEVWFQXZDYWTRJ-COHPWVSRSA-N 1 0 314.473 3.056 10 0 DGAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCN1Cc1ccccc1 ZINC000382660007 574527917 /nfs/dbraw/zinc/52/79/17/574527917.db2.gz PUVWETJEZZZJNS-MISYRCLQSA-N 1 0 316.489 3.134 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000724112409 563496336 /nfs/dbraw/zinc/49/63/36/563496336.db2.gz TYHZIHORGPMALQ-PXAZEXFGSA-N 1 0 322.474 3.414 10 0 DGAERO CC[C@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2sccc21 ZINC000725242514 563525694 /nfs/dbraw/zinc/52/56/94/563525694.db2.gz AWFOTUWZSODLJU-XJKSGUPXSA-N 1 0 310.463 3.412 10 0 DGAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2occc21 ZINC000725242702 563525737 /nfs/dbraw/zinc/52/57/37/563525737.db2.gz LMQBRFBPMFQSAS-RHSMWYFYSA-N 1 0 308.422 3.190 10 0 DGAERO Fc1c(Br)cccc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000725269892 563575497 /nfs/dbraw/zinc/57/54/97/563575497.db2.gz RHSUTMSIGCFIRV-WCQYABFASA-N 1 0 314.198 3.103 10 0 DGAERO C[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C)[NH+]1[C@H](C)CC[C@H]1C ZINC000731838123 574560185 /nfs/dbraw/zinc/56/01/85/574560185.db2.gz VZSPZHOWSSPVCT-KFWWJZLASA-N 1 0 315.461 3.269 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(F)cc1F ZINC000675053660 563860748 /nfs/dbraw/zinc/86/07/48/563860748.db2.gz JWBBOPVFPALTGQ-FZMZJTMJSA-N 1 0 312.360 3.364 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cccc(F)c1F ZINC000675053962 563861329 /nfs/dbraw/zinc/86/13/29/563861329.db2.gz KWOXSFGVGSYAAI-GWCFXTLKSA-N 1 0 312.360 3.364 10 0 DGAERO S=C(NCCCCC[NH+]1CCCCC1)NCc1ccccc1 ZINC000731944123 574562587 /nfs/dbraw/zinc/56/25/87/574562587.db2.gz RLPMYJIKEVRKHC-UHFFFAOYSA-N 1 0 319.518 3.307 10 0 DGAERO C/C(=C/C(=O)N1CC[NH+](CC(C)C)CC1)c1cccc(F)c1 ZINC000732052597 574565538 /nfs/dbraw/zinc/56/55/38/574565538.db2.gz ORWQVANPQPGIQY-PTNGSMBKSA-N 1 0 304.409 3.029 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccc(F)c1 ZINC000732064851 574565788 /nfs/dbraw/zinc/56/57/88/574565788.db2.gz HEPPWCDJAWPZGJ-XOVFHRFOSA-N 1 0 316.420 3.316 10 0 DGAERO C/C(=C/C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000732085667 574566279 /nfs/dbraw/zinc/56/62/79/574566279.db2.gz NHVQSUUZRMUREF-WTQUMQLASA-N 1 0 316.420 3.316 10 0 DGAERO CC[NH+](CC)CCCCNC(=O)/C=C(/C)c1cccc(F)c1 ZINC000732307163 574571490 /nfs/dbraw/zinc/57/14/90/574571490.db2.gz AMRWXHSNYDFRGF-SQFISAMPSA-N 1 0 306.425 3.467 10 0 DGAERO C[NH+](C)CCCCNC(=O)c1ccccc1SC(F)(F)F ZINC000733160485 574600412 /nfs/dbraw/zinc/60/04/12/574600412.db2.gz CXWUTXPPXSWJHB-UHFFFAOYSA-N 1 0 320.380 3.370 10 0 DGAERO CCCCN(C)C(=O)C1CCN(Cc2ncc(C(C)C)o2)CC1 ZINC000733309069 574614619 /nfs/dbraw/zinc/61/46/19/574614619.db2.gz ZAURLBKQIZTBIK-UHFFFAOYSA-N 1 0 321.465 3.269 10 0 DGAERO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1c2ccccc2n(C)c1=O ZINC000734476539 574663939 /nfs/dbraw/zinc/66/39/39/574663939.db2.gz GMTIKMSDZIOASK-DOTOQJQBSA-N 1 0 321.424 3.176 10 0 DGAERO C[NH+](C)CC[C@@H](NC(=S)NCc1ccccc1)C(C)(C)C ZINC000734766191 574675146 /nfs/dbraw/zinc/67/51/46/574675146.db2.gz SYEJLZGNLPFHTR-OAHLLOKOSA-N 1 0 307.507 3.017 10 0 DGAERO CC[S@](=O)CC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000735084204 574688273 /nfs/dbraw/zinc/68/82/73/574688273.db2.gz AFHIFXDHFJUFQH-NRFANRHFSA-N 1 0 313.369 3.083 10 0 DGAERO C[NH+]1CCC(NC(=S)NC(C2CCCC2)C2CCCC2)CC1 ZINC000735418433 574701180 /nfs/dbraw/zinc/70/11/80/574701180.db2.gz KAVPBBLLWKGMHG-UHFFFAOYSA-N 1 0 323.550 3.294 10 0 DGAERO FC(F)C(F)(F)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738313204 574865865 /nfs/dbraw/zinc/86/58/65/574865865.db2.gz FFCRWNZWJATSHP-CYBMUJFWSA-N 1 0 310.379 3.475 10 0 DGAERO CC[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000738311720 574865845 /nfs/dbraw/zinc/86/58/45/574865845.db2.gz JKMQBNBQTBHHAK-ZWKOTPCHSA-N 1 0 322.468 3.301 10 0 DGAERO CC(C)[C@H](C(=O)OCCOc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000741010445 574947878 /nfs/dbraw/zinc/94/78/78/574947878.db2.gz GUWKJAQGHNLMDT-QGZVFWFLSA-N 1 0 323.408 3.258 10 0 DGAERO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)[NH+]1CCCCC1 ZINC000741670883 574965976 /nfs/dbraw/zinc/96/59/76/574965976.db2.gz DPEUCQSQCLLGHR-XPKDYRNWSA-N 1 0 322.399 3.059 10 0 DGAERO c1cn2c(C[NH2+][C@H]3CCCOC3)c(-c3ccccc3)nc2s1 ZINC000730021350 575270092 /nfs/dbraw/zinc/27/00/92/575270092.db2.gz FCLXXTLNVGPNKA-AWEZNQCLSA-N 1 0 313.426 3.331 10 0 DGAERO c1ccc2nc(NC3CC[NH+](C[C@H]4CCCO4)CC3)ccc2c1 ZINC000725788500 575914131 /nfs/dbraw/zinc/91/41/31/575914131.db2.gz YRSFCWMUEBLELK-QGZVFWFLSA-N 1 0 311.429 3.290 10 0 DGAERO CC(C)[C@H](C)[N@H+](C)CN1C(=O)NC2(CCC(C(C)C)CC2)C1=O ZINC000727820339 576146361 /nfs/dbraw/zinc/14/63/61/576146361.db2.gz YVIRKBIXYYCRPX-SYJJWHGVSA-N 1 0 323.481 3.057 10 0 DGAERO C/C(=C/C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000728535388 576186824 /nfs/dbraw/zinc/18/68/24/576186824.db2.gz XUCSBKJWKNHSSU-VZVUQDNOSA-N 1 0 304.478 3.457 10 0 DGAERO CSC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757134805 617645201 /nfs/dbraw/zinc/64/52/01/617645201.db2.gz PDMCTLAAWYJRNP-NSHDSACASA-N 1 0 311.451 3.033 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000300903830 617715675 /nfs/dbraw/zinc/71/56/75/617715675.db2.gz CMSARRSGDUJTSD-IYXRBSQSSA-N 1 0 314.470 3.225 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH+]1CCC(c2ccccn2)CC1 ZINC000146579546 618012173 /nfs/dbraw/zinc/01/21/73/618012173.db2.gz NVHQTFGGGDKDSU-UHFFFAOYSA-N 1 0 319.449 3.176 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ncc[nH]2)c(C)c1 ZINC000888078098 618016556 /nfs/dbraw/zinc/01/65/56/618016556.db2.gz OPCFOCKESHWNHP-JKIFEVAISA-N 1 0 315.417 3.155 10 0 DGAERO C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000150718266 620383874 /nfs/dbraw/zinc/38/38/74/620383874.db2.gz SZWYCEYLTCBKSD-AUUYWEPGSA-N 1 0 312.388 3.232 10 0 DGAERO C[N@H+](CCC(=O)OC(C)(C)C)C[C@H](O)c1ccccc1Cl ZINC000150929319 620404470 /nfs/dbraw/zinc/40/44/70/620404470.db2.gz DIHJKVNGOOVJAI-AWEZNQCLSA-N 1 0 313.825 3.037 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)CSC(C)(C)C)CC1 ZINC000150924499 620404478 /nfs/dbraw/zinc/40/44/78/620404478.db2.gz FCKIXBZCLCEJCP-CYBMUJFWSA-N 1 0 300.512 3.143 10 0 DGAERO Cn1nccc1C1CC[NH+](Cn2ccc(-c3ccccc3)n2)CC1 ZINC000152213628 620497743 /nfs/dbraw/zinc/49/77/43/620497743.db2.gz KMGUIXGHQRYBOS-UHFFFAOYSA-N 1 0 321.428 3.121 10 0 DGAERO C[N@H+](Cn1ccc(C(F)(F)F)n1)[C@@H]1CCc2ccccc2C1 ZINC000114445017 621006708 /nfs/dbraw/zinc/00/67/08/621006708.db2.gz YREZENJYKLDNFO-CQSZACIVSA-N 1 0 309.335 3.349 10 0 DGAERO Cc1ocnc1C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989646 621071377 /nfs/dbraw/zinc/07/13/77/621071377.db2.gz PHXTVGZJEUZTAA-MRXNPFEDSA-N 1 0 314.385 3.052 10 0 DGAERO CSc1ccc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000117092481 621351334 /nfs/dbraw/zinc/35/13/34/621351334.db2.gz MFDJMFBQEFPRNR-CQSZACIVSA-N 1 0 317.410 3.433 10 0 DGAERO CC(=O)Oc1ccc(C[NH+]2CCC(OCC(C)C)CC2)cc1 ZINC000122881377 622426309 /nfs/dbraw/zinc/42/63/09/622426309.db2.gz IKZWMWXJAONIIF-UHFFFAOYSA-N 1 0 305.418 3.249 10 0 DGAERO O=C(CCCc1ccccn1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124330645 623008807 /nfs/dbraw/zinc/00/88/07/623008807.db2.gz WWOKGZAZNLZNCV-LJQANCHMSA-N 1 0 324.424 3.222 10 0 DGAERO C[N@H+](CCCOC(=O)CC[C@@H]1CCCCO1)Cc1ccccc1 ZINC000129505228 625663800 /nfs/dbraw/zinc/66/38/00/625663800.db2.gz LDCXZJKJQZVYND-SFHVURJKSA-N 1 0 319.445 3.401 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000126798434 624090604 /nfs/dbraw/zinc/09/06/04/624090604.db2.gz AHUZQTZJUBOIGZ-PBHICJAKSA-N 1 0 309.475 3.113 10 0 DGAERO c1cc(C[NH2+][C@H]2CCCSC2)cc(COC2CCOCC2)c1 ZINC000131462135 626640127 /nfs/dbraw/zinc/64/01/27/626640127.db2.gz FFZSTCPGTFUHKL-KRWDZBQOSA-N 1 0 321.486 3.367 10 0 DGAERO CC[C@@H](CSC)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000132604225 626729103 /nfs/dbraw/zinc/72/91/03/626729103.db2.gz ZSXIJRZRCCWFJU-STQMWFEESA-N 1 0 307.381 3.470 10 0 DGAERO C[NH2+][C@@H](CNC(=O)OC(C)(C)C)Cc1ccc(Cl)c(C)c1 ZINC000757160673 626753536 /nfs/dbraw/zinc/75/35/36/626753536.db2.gz SFGVPAGMXDYRHP-CYBMUJFWSA-N 1 0 312.841 3.304 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000134408404 626876930 /nfs/dbraw/zinc/87/69/30/626876930.db2.gz WMRDHMRPIKBTKF-MRXNPFEDSA-N 1 0 306.450 3.087 10 0 DGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000219405873 627146890 /nfs/dbraw/zinc/14/68/90/627146890.db2.gz LXGGPSYFANAKBZ-CABCVRRESA-N 1 0 310.438 3.058 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)C1(C)C ZINC000300204755 627260743 /nfs/dbraw/zinc/26/07/43/627260743.db2.gz OTUHUOXNDDWULQ-MELADBBJSA-N 1 0 314.470 3.083 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCOc2ccccc21 ZINC000223127871 627279276 /nfs/dbraw/zinc/27/92/76/627279276.db2.gz PVNNGCRLDBAICC-CQSZACIVSA-N 1 0 306.406 3.015 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)/C=C(/C)Cc1ccccc1OC ZINC000106926810 631487873 /nfs/dbraw/zinc/48/78/73/631487873.db2.gz USSKRYQJOWMDKV-KGAUPUERSA-N 1 0 318.461 3.031 10 0 DGAERO O=C(OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)C1CC1 ZINC000110120709 632468525 /nfs/dbraw/zinc/46/85/25/632468525.db2.gz CFFAFSOZLAEHEX-LBPRGKRZSA-N 1 0 309.356 3.130 10 0 DGAERO Fc1cc(C[NH2+]C2CCCCCCC2)cnc1N1CCOCC1 ZINC000184949489 660196534 /nfs/dbraw/zinc/19/65/34/660196534.db2.gz DKXXKDSGGUDNPS-UHFFFAOYSA-N 1 0 321.440 3.260 10 0 DGAERO C[C@H](CC[S@](C)=O)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722144676 658270578 /nfs/dbraw/zinc/27/05/78/658270578.db2.gz CFGQYNFTQWGSLW-MGNBDDOMSA-N 1 0 308.274 3.283 10 0 DGAERO Cc1ccc2c(C[N@@H+](C)[C@H](CO)CC(C)C)cc(=O)oc2c1C ZINC000185312069 660214804 /nfs/dbraw/zinc/21/48/04/660214804.db2.gz BRQNJRSNVZOVDO-INIZCTEOSA-N 1 0 317.429 3.249 10 0 DGAERO CCc1ccc2c(C[N@H+](C)[C@H](CO)CC(C)C)cc(=O)oc2c1 ZINC000185333995 660216658 /nfs/dbraw/zinc/21/66/58/660216658.db2.gz IAUZLOIARLFTDV-INIZCTEOSA-N 1 0 317.429 3.194 10 0 DGAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186380848 660378879 /nfs/dbraw/zinc/37/88/79/660378879.db2.gz RHXPTNLIXUNJCR-KRWDZBQOSA-N 1 0 320.477 3.398 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000700083138 660612157 /nfs/dbraw/zinc/61/21/57/660612157.db2.gz TXYGUVILQTZJJA-LJIZCISZSA-N 1 0 308.466 3.316 10 0 DGAERO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000700991357 660647697 /nfs/dbraw/zinc/64/76/97/660647697.db2.gz WXWXSZYXUFTBCV-KWQFWETISA-N 1 0 320.177 3.242 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000701735315 660681966 /nfs/dbraw/zinc/68/19/66/660681966.db2.gz RSXGXLCKLWVLFK-JMSVASOKSA-N 1 0 318.408 3.457 10 0 DGAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C1(Cl)CC1 ZINC000701869116 660689071 /nfs/dbraw/zinc/68/90/71/660689071.db2.gz ZIYBHNCGEFYXHV-XIKARTHZSA-N 1 0 314.857 3.135 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000701935638 660693224 /nfs/dbraw/zinc/69/32/24/660693224.db2.gz PFQRTZXDYCGQCX-CHWSQXEVSA-N 1 0 318.408 3.411 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000701955262 660693416 /nfs/dbraw/zinc/69/34/16/660693416.db2.gz LWEAQVIJFXSVJR-YNEHKIRRSA-N 1 0 318.408 3.267 10 0 DGAERO CCc1nnc(C[NH2+]C[C@H](C)COCc2ccccc2)s1 ZINC000702710457 660736589 /nfs/dbraw/zinc/73/65/89/660736589.db2.gz GIHPIUPPYYLCJK-ZDUSSCGKSA-N 1 0 305.447 3.043 10 0 DGAERO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCC1SCCS1 ZINC000703310696 660777140 /nfs/dbraw/zinc/77/71/40/660777140.db2.gz IPBDXCQKZTZZIO-LBPRGKRZSA-N 1 0 310.488 3.190 10 0 DGAERO CC[C@@H]1[C@@H](NCc2cscn2)CCN1C(=O)OC(C)(C)C ZINC000704625672 660814092 /nfs/dbraw/zinc/81/40/92/660814092.db2.gz YZMWMYUWIJCZEA-QWHCGFSZSA-N 1 0 311.451 3.021 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@H](COC)C(C)C)CCN1C(=O)OC(C)(C)C ZINC000704640361 660814107 /nfs/dbraw/zinc/81/41/07/660814107.db2.gz CNDDDCBZLOALNH-RRFJBIMHSA-N 1 0 314.470 3.035 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000704893882 660825829 /nfs/dbraw/zinc/82/58/29/660825829.db2.gz ZTEWUCSCHXFOON-ZDUSSCGKSA-N 1 0 314.495 3.119 10 0 DGAERO CC(C)[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000705320948 660837337 /nfs/dbraw/zinc/83/73/37/660837337.db2.gz XCZZEQZUVLTSFH-NSWWBONSSA-N 1 0 308.466 3.410 10 0 DGAERO CC1(O)CCC([NH2+]CCc2ccc(Br)s2)CC1 ZINC000705776006 660838545 /nfs/dbraw/zinc/83/85/45/660838545.db2.gz QXDFLNSIOBGFDL-UHFFFAOYSA-N 1 0 318.280 3.336 10 0 DGAERO C[C@@H]1C[C@H](Nc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000705922940 660838942 /nfs/dbraw/zinc/83/89/42/660838942.db2.gz KXFQYMUYINIWNC-MWLCHTKSSA-N 1 0 324.222 3.485 10 0 DGAERO C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)C1CCCC1 ZINC000705904326 660841040 /nfs/dbraw/zinc/84/10/40/660841040.db2.gz PCBJXLAUUFTTFN-AWEZNQCLSA-N 1 0 314.470 3.038 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000706476510 660859911 /nfs/dbraw/zinc/85/99/11/660859911.db2.gz KWOIQCJTEHOLCH-ZOBORPQBSA-N 1 0 314.495 3.258 10 0 DGAERO CSC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707920980 660915525 /nfs/dbraw/zinc/91/55/25/660915525.db2.gz ZLMHADCCKVOCNY-RFGFWPKPSA-N 1 0 314.495 3.116 10 0 DGAERO C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000707921724 660915632 /nfs/dbraw/zinc/91/56/32/660915632.db2.gz TXRIFQATNKNYLY-VRKREXBASA-N 1 0 308.466 3.410 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1)[C@@]12C[C@@H]1CCCC2 ZINC000708829446 660923492 /nfs/dbraw/zinc/92/34/92/660923492.db2.gz YWHSWJINIVWPEY-DSLXNQLJSA-N 1 0 303.446 3.123 10 0 DGAERO CSCC[NH2+][C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000709389464 660928105 /nfs/dbraw/zinc/92/81/05/660928105.db2.gz IRJKFSHXCZTNRQ-CRWXNKLISA-N 1 0 314.495 3.116 10 0 DGAERO Cn1nc(Br)cc1C[NH2+]C1CCC(C)(C)CC1 ZINC000709438477 660928521 /nfs/dbraw/zinc/92/85/21/660928521.db2.gz KKCSDBQZZHXCLN-UHFFFAOYSA-N 1 0 300.244 3.241 10 0 DGAERO C[C@@H](C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000709614406 660930100 /nfs/dbraw/zinc/93/01/00/660930100.db2.gz YPOVDIJMJVFBCQ-LSDHHAIUSA-N 1 0 319.449 3.174 10 0 DGAERO C[N@@H+](Cc1cscc1Br)C[C@@H]1CCC[C@H](O)C1 ZINC000709789148 660930445 /nfs/dbraw/zinc/93/04/45/660930445.db2.gz HTMOCBMGCJKXOA-PWSUYJOCSA-N 1 0 318.280 3.494 10 0 DGAERO C[N@@H+](Cc1cscc1Br)C[C@H]1CCC[C@H](O)C1 ZINC000709789146 660930490 /nfs/dbraw/zinc/93/04/90/660930490.db2.gz HTMOCBMGCJKXOA-JQWIXIFHSA-N 1 0 318.280 3.494 10 0 DGAERO Brc1cc(C[NH2+]CCc2ccns2)cs1 ZINC000709791798 660930524 /nfs/dbraw/zinc/93/05/24/660930524.db2.gz STURBZUHFIAAPI-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO C[NH+](C)C1(C)CCN(Cc2ccc(Br)cc2)CC1 ZINC000709890828 660931048 /nfs/dbraw/zinc/93/10/48/660931048.db2.gz CCICELODHQBCAF-UHFFFAOYSA-N 1 0 311.267 3.365 10 0 DGAERO CN(Cc1cscc1Br)C[C@H]1CCCC[NH2+]C1 ZINC000709993139 660931421 /nfs/dbraw/zinc/93/14/21/660931421.db2.gz SYGVASDJXXGPDD-NSHDSACASA-N 1 0 317.296 3.332 10 0 DGAERO Fc1cc(Br)cc(C[NH2+]CCc2ccns2)c1 ZINC000709954432 660931443 /nfs/dbraw/zinc/93/14/43/660931443.db2.gz RMIFYXHLVQIOIH-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO Fc1ccc(Br)c(C[NH2+]CCc2ccns2)c1 ZINC000709985550 660931631 /nfs/dbraw/zinc/93/16/31/660931631.db2.gz WBFAUOGHSONYBK-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO C[C@H](c1ccc(Cl)s1)N1CCc2sc(C[NH3+])nc2C1 ZINC000710166744 660932446 /nfs/dbraw/zinc/93/24/46/660932446.db2.gz KSCBWWQBMTXCKS-MRVPVSSYSA-N 1 0 313.879 3.436 10 0 DGAERO CN(CCCCCC[NH3+])C(=O)c1sccc1Br ZINC000710726084 660934086 /nfs/dbraw/zinc/93/40/86/660934086.db2.gz ZSFLLHPIXOFWPA-UHFFFAOYSA-N 1 0 319.268 3.102 10 0 DGAERO Cc1ccc(C[C@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)s1 ZINC000710895681 660936871 /nfs/dbraw/zinc/93/68/71/660936871.db2.gz BZEXRZATTUZJMV-LBPRGKRZSA-N 1 0 324.490 3.444 10 0 DGAERO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000710961712 660938648 /nfs/dbraw/zinc/93/86/48/660938648.db2.gz QCARQUJVJBMEDN-GWCFXTLKSA-N 1 0 314.223 3.251 10 0 DGAERO CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000711000710 660939273 /nfs/dbraw/zinc/93/92/73/660939273.db2.gz PFTMGIGTBOCFJC-KMUNFCNLSA-N 1 0 310.235 3.451 10 0 DGAERO Cc1csc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000711461660 660954065 /nfs/dbraw/zinc/95/40/65/660954065.db2.gz PBMCSQAHUXNKFP-BETUJISGSA-N 1 0 310.463 3.449 10 0 DGAERO CCSC1(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000711410255 660950812 /nfs/dbraw/zinc/95/08/12/660950812.db2.gz JODJAJYDMLUZDJ-UHFFFAOYSA-N 1 0 314.495 3.165 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC2(C3CC3)CCC2)C1 ZINC000711419040 660951464 /nfs/dbraw/zinc/95/14/64/660951464.db2.gz DAPIOYKQPUPDEW-UHFFFAOYSA-N 1 0 308.466 3.460 10 0 DGAERO Cc1noc(C)c1[C@H](C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711475455 660954466 /nfs/dbraw/zinc/95/44/66/660954466.db2.gz KHDIBNDZGSWJAF-FNBIGBAISA-N 1 0 323.437 3.245 10 0 DGAERO Cc1ccsc1C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711438664 660952312 /nfs/dbraw/zinc/95/23/12/660952312.db2.gz MDTWFHGWCXZDLN-UHFFFAOYSA-N 1 0 310.463 3.449 10 0 DGAERO CSC1(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CCC1 ZINC000711442838 660952995 /nfs/dbraw/zinc/95/29/95/660952995.db2.gz QFSUXXRSQZKBQG-UHFFFAOYSA-N 1 0 314.495 3.165 10 0 DGAERO Cc1cccc(CC[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000711441736 660953028 /nfs/dbraw/zinc/95/30/28/660953028.db2.gz ZNGKWXQQSQXHFI-UHFFFAOYSA-N 1 0 318.461 3.430 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2COC3(CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000711201199 660941502 /nfs/dbraw/zinc/94/15/02/660941502.db2.gz KINRQRVNTBZQBN-QLFBSQMISA-N 1 0 324.465 3.076 10 0 DGAERO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccccc1SC(F)F ZINC000711223605 660941987 /nfs/dbraw/zinc/94/19/87/660941987.db2.gz JAQXAQUNJUTIHQ-SECBINFHSA-N 1 0 300.374 3.185 10 0 DGAERO C[C@H](Cc1ccco1)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711459556 660953989 /nfs/dbraw/zinc/95/39/89/660953989.db2.gz PCHISKOTKVMEAM-IYXRBSQSSA-N 1 0 308.422 3.104 10 0 DGAERO C[C@H]1C[C@H](NCc2nccn2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000711763293 660962626 /nfs/dbraw/zinc/96/26/26/660962626.db2.gz AXXNCYDJUXXNDD-FUHWJXTLSA-N 1 0 324.472 3.361 10 0 DGAERO C[C@H](C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000711492814 660955483 /nfs/dbraw/zinc/95/54/83/660955483.db2.gz UIBTZSIXJTVZDZ-WLYUNCDWSA-N 1 0 319.449 3.078 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000711601459 660959289 /nfs/dbraw/zinc/95/92/89/660959289.db2.gz HIVVCDGSDAFOCY-DZGCQCFKSA-N 1 0 310.850 3.076 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3ccccn3)CCC[C@@H]12 ZINC000711637524 660959787 /nfs/dbraw/zinc/95/97/87/660959787.db2.gz AAADQEPHQPOUKI-CRAIPNDOSA-N 1 0 317.433 3.103 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3ccco3)CCC[C@@H]12 ZINC000711626031 660959798 /nfs/dbraw/zinc/95/97/98/660959798.db2.gz RWJDJTXYCTYSEN-PBHICJAKSA-N 1 0 306.406 3.301 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cncs3)CCC[C@@H]12 ZINC000711651008 660960984 /nfs/dbraw/zinc/96/09/84/660960984.db2.gz QLNRTVLDYDKKJA-CJNGLKHVSA-N 1 0 323.462 3.165 10 0 DGAERO Cn1ccc(C[NH2+][C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c1 ZINC000711643044 660961179 /nfs/dbraw/zinc/96/11/79/660961179.db2.gz YYJVIFYDWPJQLG-MAUKXSAKSA-N 1 0 319.449 3.047 10 0 DGAERO COc1cc(C[NH2+]C[C@@H]2C=CCC2)cc(Br)c1O ZINC000711707050 660962226 /nfs/dbraw/zinc/96/22/26/660962226.db2.gz BSDSOCUBHJRXJP-SNVBAGLBSA-N 1 0 312.207 3.219 10 0 DGAERO C/C(=C/C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000254972295 655551152 /nfs/dbraw/zinc/55/11/52/655551152.db2.gz ORHHMKYLPWDBDG-YBEMTRGBSA-N 1 0 304.821 3.050 10 0 DGAERO O[C@@H](CC[N@@H+]1CCS[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000721411419 655582299 /nfs/dbraw/zinc/58/22/99/655582299.db2.gz OVOULXMHGZYPGB-STQMWFEESA-N 1 0 305.365 3.090 10 0 DGAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000175851149 655612110 /nfs/dbraw/zinc/61/21/10/655612110.db2.gz AECSVKOTGQKSTH-ZDUSSCGKSA-N 1 0 323.380 3.176 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1OC ZINC000049949029 655627417 /nfs/dbraw/zinc/62/74/17/655627417.db2.gz VKDVYESSHZRXMT-JSGCOSHPSA-N 1 0 314.223 3.115 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000246853904 655689572 /nfs/dbraw/zinc/68/95/72/655689572.db2.gz CDYMLBVESAAIFX-KKUMJFAQSA-N 1 0 314.470 3.085 10 0 DGAERO Brc1cnn(CCC[NH2+][C@@H]2CCCC3(CC3)C2)c1 ZINC000723595415 655703702 /nfs/dbraw/zinc/70/37/02/655703702.db2.gz YCOZYYWQOSLRFO-CYBMUJFWSA-N 1 0 312.255 3.348 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000077455833 655705610 /nfs/dbraw/zinc/70/56/10/655705610.db2.gz RJQUKSINKPFZCE-INIZCTEOSA-N 1 0 315.889 3.474 10 0 DGAERO C[C@](O)(C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000175995474 655727821 /nfs/dbraw/zinc/72/78/21/655727821.db2.gz FHOPPTILVMAVPY-IBGZPJMESA-N 1 0 307.397 3.074 10 0 DGAERO CCC(F)(F)C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724050358 655739111 /nfs/dbraw/zinc/73/91/11/655739111.db2.gz WLRISWGVVPCQKO-NWDGAFQWSA-N 1 0 306.397 3.315 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)s1 ZINC000724313458 655754095 /nfs/dbraw/zinc/75/40/95/655754095.db2.gz BTYSQNFXZYRLID-WDFAYWTNSA-N 1 0 313.488 3.069 10 0 DGAERO Cc1cc(Cl)ncc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000161139850 655762746 /nfs/dbraw/zinc/76/27/46/655762746.db2.gz VEMLRNRANFNASX-UHFFFAOYSA-N 1 0 324.856 3.285 10 0 DGAERO O=C(/C=C\c1ccc(Cl)s1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000255504825 655775095 /nfs/dbraw/zinc/77/50/95/655775095.db2.gz YMINEHLRGOUDFH-HWPRWLFBSA-N 1 0 310.850 3.111 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(Cl)c1Cl ZINC000724601807 655792144 /nfs/dbraw/zinc/79/21/44/655792144.db2.gz ZUDDZLOEDDRLBU-MIJXAVMKSA-N 1 0 316.228 3.448 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c2ccsc2S1 ZINC000724617352 655794926 /nfs/dbraw/zinc/79/49/26/655794926.db2.gz DEDQWEFHFVUOPX-LZFBMIIGSA-N 1 0 311.472 3.067 10 0 DGAERO Cc1ccccc1C[C@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000712405572 661188252 /nfs/dbraw/zinc/18/82/52/661188252.db2.gz DTSZCJFKAGFXJX-LBPRGKRZSA-N 1 0 322.250 3.212 10 0 DGAERO C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C1CN(C(=O)OC(C)(C)C)C1 ZINC000712437397 661188543 /nfs/dbraw/zinc/18/85/43/661188543.db2.gz GTILANQKODOFRF-BFJAYTPKSA-N 1 0 308.466 3.410 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2Br)[C@@H](C)C1 ZINC000712470537 661188577 /nfs/dbraw/zinc/18/85/77/661188577.db2.gz LWOIPVWCWIJQLX-SCVCMEIPSA-N 1 0 300.244 3.097 10 0 DGAERO Cn1cc(C[NH2+]CCCC2CCCC2)c(Br)n1 ZINC000712469344 661188710 /nfs/dbraw/zinc/18/87/10/661188710.db2.gz HVAZXEYTDGQKEC-UHFFFAOYSA-N 1 0 300.244 3.243 10 0 DGAERO C[C@H]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2Br)C1 ZINC000712477030 661188733 /nfs/dbraw/zinc/18/87/33/661188733.db2.gz PWJIWGMVRGPSNB-WDEREUQCSA-N 1 0 300.244 3.099 10 0 DGAERO Cn1cc(C[NH2+]CCC2CCCCC2)c(Br)n1 ZINC000712477355 661189020 /nfs/dbraw/zinc/18/90/20/661189020.db2.gz SMGZZRKRJUXDCD-UHFFFAOYSA-N 1 0 300.244 3.243 10 0 DGAERO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000712574851 661189475 /nfs/dbraw/zinc/18/94/75/661189475.db2.gz XIPYYCGYTPETNQ-ONGXEEELSA-N 1 0 303.269 3.255 10 0 DGAERO CC(C)[C@@H]([NH3+])C(C)(C)c1nc(COCc2ccccc2)no1 ZINC000713029472 661189750 /nfs/dbraw/zinc/18/97/50/661189750.db2.gz RIWYGVJPDOIOET-OAHLLOKOSA-N 1 0 303.406 3.047 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+]CCc1sccc1Br ZINC000713005150 661189754 /nfs/dbraw/zinc/18/97/54/661189754.db2.gz XAGBGOPTTBTQLL-NSHDSACASA-N 1 0 306.269 3.050 10 0 DGAERO CC[C@@H]1C[C@H]([NH2+]CCc2sccc2Br)CO1 ZINC000713047162 661189842 /nfs/dbraw/zinc/18/98/42/661189842.db2.gz XGILBVHBGSDKKF-VHSXEESVSA-N 1 0 304.253 3.210 10 0 DGAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000713056593 661190172 /nfs/dbraw/zinc/19/01/72/661190172.db2.gz KZFAHCILVLZNBX-SQGPQFPESA-N 1 0 306.409 3.347 10 0 DGAERO COC[C@H]([NH2+]CCc1sccc1Br)C1CC1 ZINC000713081415 661190325 /nfs/dbraw/zinc/19/03/25/661190325.db2.gz JZGAPCZBNSNZTD-NSHDSACASA-N 1 0 304.253 3.068 10 0 DGAERO Brc1cnc(C[NH2+]CC[C@H]2CCSC2)s1 ZINC000713638934 661193115 /nfs/dbraw/zinc/19/31/15/661193115.db2.gz VRQDXPGJZGZSDG-QMMMGPOBSA-N 1 0 307.282 3.138 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2cccc(Cl)c2Br)C1 ZINC000725002265 655845740 /nfs/dbraw/zinc/84/57/40/655845740.db2.gz SUNXBXOTVHJDKN-DMLGSKKGSA-N 1 0 316.626 3.106 10 0 DGAERO C[C@@H]([NH2+]CCS(=O)(=O)C1CCCCC1)c1cccs1 ZINC000235186809 655845914 /nfs/dbraw/zinc/84/59/14/655845914.db2.gz APADPUCAORPGJH-GFCCVEGCSA-N 1 0 301.477 3.146 10 0 DGAERO CC(C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000713823957 661194632 /nfs/dbraw/zinc/19/46/32/661194632.db2.gz BQJCPHFKKYFHJD-NSHDSACASA-N 1 0 300.244 3.051 10 0 DGAERO CCC[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1Br ZINC000713862757 661195239 /nfs/dbraw/zinc/19/52/39/661195239.db2.gz ZNUBCLZVLISHEP-GFCCVEGCSA-N 1 0 300.244 3.337 10 0 DGAERO Cn1cc(C[N@H+](C)C2CCCCCC2)c(Br)n1 ZINC000713862709 661195262 /nfs/dbraw/zinc/19/52/62/661195262.db2.gz YMAQXIZNKMGMFP-UHFFFAOYSA-N 1 0 300.244 3.337 10 0 DGAERO [NH3+]CCCN(Cc1nc2ccccc2s1)CC(F)(F)F ZINC000714347768 661198690 /nfs/dbraw/zinc/19/86/90/661198690.db2.gz SBLIEYCRNBNVJD-UHFFFAOYSA-N 1 0 303.353 3.009 10 0 DGAERO CC1(C)CC([NH2+]CC[C@@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC000714360113 661198768 /nfs/dbraw/zinc/19/87/68/661198768.db2.gz HBGAIINMRDJMTH-AWEZNQCLSA-N 1 0 301.496 3.148 10 0 DGAERO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCS2(=O)=O)C1 ZINC000714361076 661198885 /nfs/dbraw/zinc/19/88/85/661198885.db2.gz OTPTZGCSMLJAFI-ARFHVFGLSA-N 1 0 301.496 3.148 10 0 DGAERO CSc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)cc1 ZINC000714363664 661199372 /nfs/dbraw/zinc/19/93/72/661199372.db2.gz AEUVOHQGXJVPBM-IUODEOHRSA-N 1 0 313.488 3.026 10 0 DGAERO C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179342451 655889380 /nfs/dbraw/zinc/88/93/80/655889380.db2.gz AEYNYESHTJXFTF-QSOAKEGCSA-N 1 0 304.821 3.050 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000714705585 661202323 /nfs/dbraw/zinc/20/23/23/661202323.db2.gz LRBLPFHLQYKUKB-UVBJJODRSA-N 1 0 324.262 3.321 10 0 DGAERO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000721617100 655946929 /nfs/dbraw/zinc/94/69/29/655946929.db2.gz ZGVCELCZAVEJIJ-QRVBRYPASA-N 1 0 316.489 3.444 10 0 DGAERO Cn1cccc1C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000066542893 655954142 /nfs/dbraw/zinc/95/41/42/655954142.db2.gz RKLCIDPSPDWGFS-UHFFFAOYSA-N 1 0 312.413 3.094 10 0 DGAERO C/C(=C/c1ccccc1)CN1CC[N@@H+](CC(C)C)[C@@H](CCO)C1 ZINC000096753222 655961075 /nfs/dbraw/zinc/96/10/75/655961075.db2.gz OOLAGXLYNKUISW-LVSKKATPSA-N 1 0 316.489 3.115 10 0 DGAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000715140494 661208653 /nfs/dbraw/zinc/20/86/53/661208653.db2.gz PNEYWUUWRNCURH-KBVBSXBZSA-N 1 0 301.217 3.108 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc(Cl)cc1Cl ZINC000715207290 661209253 /nfs/dbraw/zinc/20/92/53/661209253.db2.gz JCWVWMNSVZDLHB-PUMQYWBSSA-N 1 0 323.170 3.011 10 0 DGAERO C[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CS1 ZINC000715131299 661209509 /nfs/dbraw/zinc/20/95/09/661209509.db2.gz CWHFXFHGVAEJLY-XUXIUFHCSA-N 1 0 314.495 3.163 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CS1 ZINC000715131295 661209520 /nfs/dbraw/zinc/20/95/20/661209520.db2.gz CWHFXFHGVAEJLY-AAVRWANBSA-N 1 0 314.495 3.163 10 0 DGAERO Cc1nc(C)c(C[NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)o1 ZINC000311671164 656009296 /nfs/dbraw/zinc/00/92/96/656009296.db2.gz AAEWRICZPMHVFJ-CQSZACIVSA-N 1 0 323.437 3.171 10 0 DGAERO CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000181512135 656014684 /nfs/dbraw/zinc/01/46/84/656014684.db2.gz FGWDZUCWSXTBNS-CQSZACIVSA-N 1 0 305.443 3.315 10 0 DGAERO CCCn1cc([C@H](C)[NH2+]C[C@@H](C)COCc2ccccc2)nn1 ZINC000715891982 661215413 /nfs/dbraw/zinc/21/54/13/661215413.db2.gz CHRBTXGQYMGLGU-CVEARBPZSA-N 1 0 316.449 3.192 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000040502801 656072777 /nfs/dbraw/zinc/07/27/77/656072777.db2.gz FERQNLYXZSAZIO-NSHDSACASA-N 1 0 304.406 3.309 10 0 DGAERO C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000716587815 661224598 /nfs/dbraw/zinc/22/45/98/661224598.db2.gz ZBOCDKDSDZYWGO-QMMMGPOBSA-N 1 0 319.207 3.250 10 0 DGAERO C[C@H]([NH2+]CCCn1ccnn1)c1ccc(SC(F)F)cc1 ZINC000184273622 656118151 /nfs/dbraw/zinc/11/81/51/656118151.db2.gz FQAMFDOHHLAYPB-NSHDSACASA-N 1 0 312.389 3.334 10 0 DGAERO Cc1cc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)no1 ZINC000716652885 661226053 /nfs/dbraw/zinc/22/60/53/661226053.db2.gz UWQNBEHNRYXBDI-LNLFQRSKSA-N 1 0 311.429 3.126 10 0 DGAERO C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000716606685 661227186 /nfs/dbraw/zinc/22/71/86/661227186.db2.gz ZMMFXWJQTCIYQU-SECBINFHSA-N 1 0 301.217 3.111 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cccc(F)c1Br ZINC000716831232 661229510 /nfs/dbraw/zinc/22/95/10/661229510.db2.gz QQHKHUXLTFHQHC-MWLCHTKSSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000716885005 661230190 /nfs/dbraw/zinc/23/01/90/661230190.db2.gz JYDSPIDBJBJCER-GBIKHYSHSA-N 1 0 301.228 3.044 10 0 DGAERO C[C@H]([NH2+]CCCCCCCO)c1cccc(-n2ccnc2)c1 ZINC000189914170 656158210 /nfs/dbraw/zinc/15/82/10/656158210.db2.gz KRGCZFOFQROGOS-INIZCTEOSA-N 1 0 301.434 3.466 10 0 DGAERO CO[C@H]1C[N@H+](Cn2ccc(-c3ccc(F)cc3)n2)CC[C@@H]1C ZINC000190203291 656159370 /nfs/dbraw/zinc/15/93/70/656159370.db2.gz HTYUAOUNXZVLBB-GUYCJALGSA-N 1 0 303.381 3.004 10 0 DGAERO COc1c(C)cc(C[N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)cc1C ZINC000191982085 656174194 /nfs/dbraw/zinc/17/41/94/656174194.db2.gz OARURVMMVMDYNA-INIZCTEOSA-N 1 0 317.429 3.230 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]CCc2ccccc2)C1 ZINC000195184387 656210254 /nfs/dbraw/zinc/21/02/54/656210254.db2.gz BWLXRHSDKWNXQT-LJQANCHMSA-N 1 0 318.461 3.466 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2)C1 ZINC000195184374 656210292 /nfs/dbraw/zinc/21/02/92/656210292.db2.gz GOHOHJYVHCRXPO-SFHVURJKSA-N 1 0 304.434 3.423 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCCCCCCC[NH+](C)C)o1 ZINC000125097462 656267419 /nfs/dbraw/zinc/26/74/19/656267419.db2.gz ALBYLLACDNCLIC-OAHLLOKOSA-N 1 0 309.454 3.460 10 0 DGAERO CCCC[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717130639 661250939 /nfs/dbraw/zinc/25/09/39/661250939.db2.gz JZUDVIMSHCNHQB-GFCCVEGCSA-N 1 0 306.397 3.268 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc2c(c1)CCO2 ZINC000178442447 656313060 /nfs/dbraw/zinc/31/30/60/656313060.db2.gz FCKCJFHVEVPCKE-PXAZEXFGSA-N 1 0 301.361 3.145 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717154003 661255759 /nfs/dbraw/zinc/25/57/59/661255759.db2.gz OJQJMGUFVMOGDN-AGIUHOORSA-N 1 0 318.408 3.267 10 0 DGAERO [NH3+][C@H]1CN(Cc2cccc(Cl)c2F)CC[C@@H]1C(F)(F)F ZINC000717156757 661255916 /nfs/dbraw/zinc/25/59/16/661255916.db2.gz VVQUUKUAOMCTGB-ONGXEEELSA-N 1 0 310.722 3.191 10 0 DGAERO CC1(C)CC[C@H](CNC(=O)c2cscc2C(F)F)[NH2+]C1 ZINC000717222402 661257437 /nfs/dbraw/zinc/25/74/37/661257437.db2.gz WJKACZZNAARWHV-SECBINFHSA-N 1 0 302.390 3.194 10 0 DGAERO Brc1ccoc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722316305 656422127 /nfs/dbraw/zinc/42/21/27/656422127.db2.gz PKOXBCNCIUYKIC-ZYHUDNBSSA-N 1 0 300.196 3.089 10 0 DGAERO CC1(C)CO[C@H](CC[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000717343068 661262278 /nfs/dbraw/zinc/26/22/78/661262278.db2.gz IGIYVRAMUGBBMG-LJQANCHMSA-N 1 0 316.489 3.446 10 0 DGAERO CSc1cc(Br)ccc1C[NH2+][C@@H](C)[C@@H](C)O ZINC000336688148 656500427 /nfs/dbraw/zinc/50/04/27/656500427.db2.gz JOACBIMZKGUQDN-DTWKUNHWSA-N 1 0 304.253 3.030 10 0 DGAERO CC[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000723847528 656502432 /nfs/dbraw/zinc/50/24/32/656502432.db2.gz JRWMCWGCTBRJSJ-AWEZNQCLSA-N 1 0 317.882 3.452 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000724027307 656505466 /nfs/dbraw/zinc/50/54/66/656505466.db2.gz IVPYBCGDCKBTKA-IHRRRGAJSA-N 1 0 323.437 3.327 10 0 DGAERO C[C@@H]1CC(C[NH2+]Cc2occc2Br)C[C@@H](C)O1 ZINC000724287074 656513681 /nfs/dbraw/zinc/51/36/81/656513681.db2.gz IZRZHMYLDSDVPR-NXEZZACHSA-N 1 0 302.212 3.335 10 0 DGAERO Cc1nc(Cc2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)cs1 ZINC000055273396 656521513 /nfs/dbraw/zinc/52/15/13/656521513.db2.gz PXXIMZNDLJAOHH-WXHSDQCUSA-N 1 0 304.419 3.019 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(Cl)cn1 ZINC000722398586 656659791 /nfs/dbraw/zinc/65/97/91/656659791.db2.gz NSZZCMKWGUFIKH-PTOFAABTSA-N 1 0 308.731 3.496 10 0 DGAERO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1nc(CN(C)C)cs1 ZINC000722407770 656725284 /nfs/dbraw/zinc/72/52/84/656725284.db2.gz XCIWOIBIMZJDJW-JTQLQIEISA-N 1 0 309.401 3.415 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]CCCN2CCOC2=O)cc1 ZINC000178589061 656938001 /nfs/dbraw/zinc/93/80/01/656938001.db2.gz OIVSDIPIUZKUDN-HNNXBMFYSA-N 1 0 320.433 3.214 10 0 DGAERO COC(OC)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2Br ZINC000234568051 656945036 /nfs/dbraw/zinc/94/50/36/656945036.db2.gz ZBHMVRVJHDZZLH-RNCFNFMXSA-N 1 0 314.223 3.033 10 0 DGAERO CC(C)COC1CC[NH+](Cn2nccc2-c2ccncc2)CC1 ZINC000067094455 656983750 /nfs/dbraw/zinc/98/37/50/656983750.db2.gz MSYWITJVBKNCAJ-UHFFFAOYSA-N 1 0 314.433 3.040 10 0 DGAERO C/C(=C\c1ccccc1Cl)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178886561 657096748 /nfs/dbraw/zinc/09/67/48/657096748.db2.gz KYTWNJOESDOGJG-HFBDAHEESA-N 1 0 304.821 3.050 10 0 DGAERO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1cccc2[nH]ccc21 ZINC000237028205 657111261 /nfs/dbraw/zinc/11/12/61/657111261.db2.gz BTEJUXXLQUCBQS-SFHVURJKSA-N 1 0 307.441 3.430 10 0 DGAERO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccccc1C(F)(F)F ZINC000261829334 657119581 /nfs/dbraw/zinc/11/95/81/657119581.db2.gz BIDWJHGPQYXNOK-LLVKDONJSA-N 1 0 315.339 3.217 10 0 DGAERO Cc1conc1C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000720359581 657474156 /nfs/dbraw/zinc/47/41/56/657474156.db2.gz XUIXWIASHANGLT-DLBZAZTESA-N 1 0 300.402 3.457 10 0 DGAERO C[C@@H]1CCCN(Cc2cccc(F)c2Br)[C@H]1C[NH3+] ZINC000251621707 657526344 /nfs/dbraw/zinc/52/63/44/657526344.db2.gz CODGCRWVRKDPCU-MFKMUULPSA-N 1 0 315.230 3.147 10 0 DGAERO CO[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1C ZINC000251700215 657528735 /nfs/dbraw/zinc/52/87/35/657528735.db2.gz JYDGVASBEGTJRE-NZVBXONLSA-N 1 0 318.244 3.384 10 0 DGAERO CC[C@@H]1CN(Cc2cccc(F)c2Br)CC[C@H]1[NH3+] ZINC000251835099 657539648 /nfs/dbraw/zinc/53/96/48/657539648.db2.gz QGKUFONNBNZBHD-ZWNOBZJWSA-N 1 0 315.230 3.147 10 0 DGAERO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000720410112 657696917 /nfs/dbraw/zinc/69/69/17/657696917.db2.gz IVKSYRSIKGCVOY-AGIUHOORSA-N 1 0 310.429 3.277 10 0 DGAERO CC(C)COC1CC[NH+](C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000054328576 657840691 /nfs/dbraw/zinc/84/06/91/657840691.db2.gz IJNPVFGZPSDQAZ-KRWDZBQOSA-N 1 0 313.388 3.135 10 0 DGAERO CCn1ccnc1CN1CC[C@]2(C1)CCC[N@H+](CC(C)(C)C)C2 ZINC000015067139 658008902 /nfs/dbraw/zinc/00/89/02/658008902.db2.gz FCFIRWBPWDUANA-IBGZPJMESA-N 1 0 318.509 3.237 10 0 DGAERO Cn1cc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c(Br)n1 ZINC000720652080 658053867 /nfs/dbraw/zinc/05/38/67/658053867.db2.gz FQPPYLOHRKFQQA-DGCLKSJQSA-N 1 0 312.255 3.241 10 0 DGAERO C[C@H](c1ccccc1Cl)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720876445 658154315 /nfs/dbraw/zinc/15/43/15/658154315.db2.gz ISMMIPVGFLFIBI-FOGDFJRCSA-N 1 0 306.759 3.470 10 0 DGAERO O=C(CCC[NH2+]CCc1cc(Cl)cc(Cl)c1)NC1CC1 ZINC000722133144 658215954 /nfs/dbraw/zinc/21/59/54/658215954.db2.gz PBRUVYHRYFBTFP-UHFFFAOYSA-N 1 0 315.244 3.184 10 0 DGAERO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1 ZINC000721232948 658706711 /nfs/dbraw/zinc/70/67/11/658706711.db2.gz FGJXRCUORBJVBW-MJGOQNOKSA-N 1 0 313.445 3.369 10 0 DGAERO CSC[C@@](C)(O)C[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722145962 658782107 /nfs/dbraw/zinc/78/21/07/658782107.db2.gz ZWODSFKPGNQRMD-ZDUSSCGKSA-N 1 0 308.274 3.240 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCSCC2)C(C)(C)C1 ZINC000721895577 658806759 /nfs/dbraw/zinc/80/67/59/658806759.db2.gz FBQNHYAWXCAJME-CYBMUJFWSA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)([NH2+]Cc1cncnc1)c1ccc(Br)cc1 ZINC000054767778 658894025 /nfs/dbraw/zinc/89/40/25/658894025.db2.gz FRQTZUJKNYNEBT-UHFFFAOYSA-N 1 0 306.207 3.264 10 0 DGAERO CC(C)C[C@@H]([NH3+])Cc1nc(-c2cnc3ccsc3c2)no1 ZINC000163759096 658897837 /nfs/dbraw/zinc/89/78/37/658897837.db2.gz KNBIDHQLKZESFA-LLVKDONJSA-N 1 0 302.403 3.262 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)C[C@H](O)c1ccc(F)cc1F ZINC000055025042 658908955 /nfs/dbraw/zinc/90/89/55/658908955.db2.gz QLKSVPCEEPJHOU-KRWDZBQOSA-N 1 0 309.331 3.312 10 0 DGAERO C[C@@H]1OCCN(Cc2ccc(SC(=O)N(C)C)cc2)[C@H]1C ZINC000156506748 658925532 /nfs/dbraw/zinc/92/55/32/658925532.db2.gz GDQXKUXVCCGERK-STQMWFEESA-N 1 0 308.447 3.070 10 0 DGAERO [NH3+]CC[C@@H]1CCCCN1Cc1cccc(F)c1Br ZINC000157008907 658975828 /nfs/dbraw/zinc/97/58/28/658975828.db2.gz RSRDKUZPEQDRPR-LBPRGKRZSA-N 1 0 315.230 3.292 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000224904778 659035445 /nfs/dbraw/zinc/03/54/45/659035445.db2.gz VPGDVZDVAXHVPY-IYXRBSQSSA-N 1 0 320.433 3.402 10 0 DGAERO Cc1cnc(CC[N@@H+](C)C[C@H](O)c2cc(C)cc(C)c2)s1 ZINC000157439382 659061958 /nfs/dbraw/zinc/06/19/58/659061958.db2.gz CEIQMKNYEITLJU-INIZCTEOSA-N 1 0 304.459 3.276 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NCc1occc1Br ZINC000227369996 659153820 /nfs/dbraw/zinc/15/38/20/659153820.db2.gz FABGZSNOEMBRCJ-LLVKDONJSA-N 1 0 303.244 3.108 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227675290 659160297 /nfs/dbraw/zinc/16/02/97/659160297.db2.gz WNKWJRHHHGOPRV-GRYCIOLGSA-N 1 0 306.397 3.265 10 0 DGAERO C/C(=C\C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000171192536 659266386 /nfs/dbraw/zinc/26/63/86/659266386.db2.gz ORHHMKYLPWDBDG-CMPYXILNSA-N 1 0 304.821 3.050 10 0 DGAERO COC1CC([NH2+][C@H](C)c2ccc(F)cc2Br)C1 ZINC000230674473 659345546 /nfs/dbraw/zinc/34/55/46/659345546.db2.gz QEKFNRGFFPBOLR-MFAVDMRSSA-N 1 0 302.187 3.416 10 0 DGAERO CCn1c(C)nn(CN(C[C@H]2CCCO2)C2CCCC2)c1=S ZINC000172952179 659366547 /nfs/dbraw/zinc/36/65/47/659366547.db2.gz ATTYDWSGEOGUNX-OAHLLOKOSA-N 1 0 324.494 3.124 10 0 DGAERO CCn1c(C)nn(CN(C[C@@H]2CCCO2)C2CCCC2)c1=S ZINC000172952173 659367148 /nfs/dbraw/zinc/36/71/48/659367148.db2.gz ATTYDWSGEOGUNX-HNNXBMFYSA-N 1 0 324.494 3.124 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1cc[nH]c1=S ZINC000173330494 659379781 /nfs/dbraw/zinc/37/97/81/659379781.db2.gz XPIMLGWYQMDFMW-CQSZACIVSA-N 1 0 303.431 3.219 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000180125574 659952938 /nfs/dbraw/zinc/95/29/38/659952938.db2.gz VONUDWHDKLAVBS-YDBWALOYSA-N 1 0 324.399 3.401 10 0 DGAERO CCCOc1ccc([C@@H](C)[NH2+]CC2OCCO2)cc1OCCC ZINC000180236099 659956420 /nfs/dbraw/zinc/95/64/20/659956420.db2.gz NRZFOMUGGNJMFC-CQSZACIVSA-N 1 0 323.433 3.288 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000353458956 659984502 /nfs/dbraw/zinc/98/45/02/659984502.db2.gz FKTYNNBPCJROEW-SJLPKXTDSA-N 1 0 310.445 3.041 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)CCC2 ZINC000353504172 659991156 /nfs/dbraw/zinc/99/11/56/659991156.db2.gz QORPXNVUYQJSFM-HKUYNNGSSA-N 1 0 324.472 3.431 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)CCC2 ZINC000353531482 659996731 /nfs/dbraw/zinc/99/67/31/659996731.db2.gz VGRPRSKMVNNZGZ-AEFFLSMTSA-N 1 0 310.445 3.041 10 0 DGAERO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(N2CCCC2=O)cc1 ZINC000181487066 660002877 /nfs/dbraw/zinc/00/28/77/660002877.db2.gz BKZVSMPMWKNKFU-MRXNPFEDSA-N 1 0 323.440 3.492 10 0 DGAERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(Cl)nc1 ZINC000181583321 660009773 /nfs/dbraw/zinc/00/97/73/660009773.db2.gz YZQRLNFJTYVSHD-MRVPVSSYSA-N 1 0 318.730 3.338 10 0 DGAERO CC(C)(C)OCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000182091007 660033762 /nfs/dbraw/zinc/03/37/62/660033762.db2.gz ZHJQGQNGABHKGI-UHFFFAOYSA-N 1 0 319.445 3.257 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)CS(C)(=O)=O ZINC000182610137 660067181 /nfs/dbraw/zinc/06/71/81/660067181.db2.gz VREVEWKYLJXDFH-ZIAGYGMSSA-N 1 0 311.491 3.315 10 0 DGAERO Cc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1O ZINC000182677255 660070669 /nfs/dbraw/zinc/07/06/69/660070669.db2.gz UGWVLFXGKBCVMY-KRWDZBQOSA-N 1 0 323.795 3.490 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1 ZINC000182677904 660071234 /nfs/dbraw/zinc/07/12/34/660071234.db2.gz KDIBJONGGSRKQR-KEYYUXOJSA-N 1 0 303.402 3.494 10 0 DGAERO CCCCOC(=O)CC[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183168585 660103805 /nfs/dbraw/zinc/10/38/05/660103805.db2.gz CJFXDZNIFGDVIV-HNNXBMFYSA-N 1 0 315.417 3.256 10 0 DGAERO CCCS(=O)(=O)CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000183212431 660104426 /nfs/dbraw/zinc/10/44/26/660104426.db2.gz KUPDDQWTXJAZIO-MRXNPFEDSA-N 1 0 309.475 3.115 10 0 DGAERO c1cnc2cc(-c3noc([C@@H]4C[C@@H]5CCCC[C@H]5[NH2+]4)n3)ccc2n1 ZINC000324960464 660104561 /nfs/dbraw/zinc/10/45/61/660104561.db2.gz WYKFLTXTGXXHQI-GHJWDPDVSA-N 1 0 321.384 3.273 10 0 DGAERO CCOCC(=O)OCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000183294330 660107575 /nfs/dbraw/zinc/10/75/75/660107575.db2.gz MBGKFMWYMBBGFM-UHFFFAOYSA-N 1 0 319.445 3.259 10 0 DGAERO Cc1cccnc1/C=C/C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000183370433 660109235 /nfs/dbraw/zinc/10/92/35/660109235.db2.gz PCOBKNWDDCVNRB-DXRVJIQQSA-N 1 0 315.461 3.030 10 0 DGAERO CC[C@H]1C[C@@H](C(=O)OCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000183488808 660117900 /nfs/dbraw/zinc/11/79/00/660117900.db2.gz NSMBXJGZDKFKES-ROUUACIJSA-N 1 0 319.445 3.257 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Cl)cc(OC)c1O ZINC000184056414 660154155 /nfs/dbraw/zinc/15/41/55/660154155.db2.gz TZQLFMFOHCQWRB-HUUCEWRRSA-N 1 0 324.852 3.113 10 0 DGAERO C[C@@H]([NH2+]CCCn1ccnn1)c1ccc(SC(F)F)cc1 ZINC000184273640 660160557 /nfs/dbraw/zinc/16/05/57/660160557.db2.gz FQAMFDOHHLAYPB-LLVKDONJSA-N 1 0 312.389 3.334 10 0 DGAERO Cc1c(O)ccc2c(C[NH2+][C@H](C)C3CCCC3)cc(=O)oc12 ZINC000184648280 660178905 /nfs/dbraw/zinc/17/89/05/660178905.db2.gz LTSXTVRBHQVZTA-GFCCVEGCSA-N 1 0 301.386 3.475 10 0 DGAERO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](C)COC ZINC000187433259 661583473 /nfs/dbraw/zinc/58/34/73/661583473.db2.gz UZKMOXZHKUTQFF-LLVKDONJSA-N 1 0 316.239 3.259 10 0 DGAERO CN(CCC[NH2+]C1CC1)Cc1csc(Br)c1 ZINC000042363475 661840245 /nfs/dbraw/zinc/84/02/45/661840245.db2.gz VDYGVRVLCYNTMI-UHFFFAOYSA-N 1 0 303.269 3.085 10 0 DGAERO CCc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000049072846 661898763 /nfs/dbraw/zinc/89/87/63/661898763.db2.gz LRBBXNZSUJPVOL-UHFFFAOYSA-N 1 0 306.475 3.259 10 0 DGAERO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000188645642 661938068 /nfs/dbraw/zinc/93/80/68/661938068.db2.gz JCNQCUIIZGFUAN-JKSUJKDBSA-N 1 0 318.461 3.322 10 0 DGAERO C[C@H](O)c1cccc(OCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000189312597 661973442 /nfs/dbraw/zinc/97/34/42/661973442.db2.gz YBLKSRSEKGYLQV-AWEZNQCLSA-N 1 0 303.377 3.390 10 0 DGAERO COc1ccc2c(c1)C(=O)N(CN(C)[C@H]1CCc3ccccc31)C2 ZINC000189703018 661988020 /nfs/dbraw/zinc/98/80/20/661988020.db2.gz SPMWZVCPHNBJIG-IBGZPJMESA-N 1 0 322.408 3.228 10 0 DGAERO COc1ccc2c(c1)C(=O)N(C[N@H+](C)[C@H]1CCC[C@H](C)C1)C2 ZINC000189707062 661988515 /nfs/dbraw/zinc/98/85/15/661988515.db2.gz HRARUKJXJQEOGW-ZFWWWQNUSA-N 1 0 302.418 3.119 10 0 DGAERO C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)c1ccc2c(c1)CCO2 ZINC000190323149 662028025 /nfs/dbraw/zinc/02/80/25/662028025.db2.gz QXGLKSXJOZRXGC-CQSZACIVSA-N 1 0 317.429 3.205 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC2CCC3(CC2)OCCO3)cc1F ZINC000190319017 662028156 /nfs/dbraw/zinc/02/81/56/662028156.db2.gz LNHAHFLGILPENF-CYBMUJFWSA-N 1 0 323.408 3.418 10 0 DGAERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccccc1Br ZINC000190656486 662039697 /nfs/dbraw/zinc/03/96/97/662039697.db2.gz NBGILLGBEHWOES-NSHDSACASA-N 1 0 314.223 3.253 10 0 DGAERO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H](C)CC3CC3)C2=O)c(C)c1 ZINC000190967358 662050488 /nfs/dbraw/zinc/05/04/88/662050488.db2.gz JJTGPRIEVRBHTI-DOTOQJQBSA-N 1 0 300.446 3.495 10 0 DGAERO CN1CCN(C(=O)CSC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000078449828 662068532 /nfs/dbraw/zinc/06/85/32/662068532.db2.gz IXIUOKOGKFBJNP-OAHLLOKOSA-N 1 0 306.475 3.033 10 0 DGAERO COC(OC)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000079628650 662116027 /nfs/dbraw/zinc/11/60/27/662116027.db2.gz RYSXZVVASNLYMI-MRVPVSSYSA-N 1 0 309.740 3.038 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cc(Cl)cs1 ZINC000193084732 662122352 /nfs/dbraw/zinc/12/23/52/662122352.db2.gz SYONWMDDCMGFEV-UHFFFAOYSA-N 1 0 304.843 3.406 10 0 DGAERO C[NH+](C)C1CCN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)CC1 ZINC000080161792 662131548 /nfs/dbraw/zinc/13/15/48/662131548.db2.gz WAQVFCSLNBEVLF-VOTSOKGWSA-N 1 0 321.490 3.006 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCC=CO2)cc(COC2CCOCC2)c1 ZINC000194377462 662164497 /nfs/dbraw/zinc/16/44/97/662164497.db2.gz FLJVKTPMMNRWOL-LJQANCHMSA-N 1 0 317.429 3.165 10 0 DGAERO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717934526 662207092 /nfs/dbraw/zinc/20/70/92/662207092.db2.gz FCNMNHHZXAEJSZ-RKDXNWHRSA-N 1 0 308.369 3.284 10 0 DGAERO C[C@@H]([NH2+]CCc1cnccn1)c1ccc(C(F)(F)F)s1 ZINC000717967160 662213481 /nfs/dbraw/zinc/21/34/81/662213481.db2.gz HIGXDRIMCZZUBS-SECBINFHSA-N 1 0 301.337 3.450 10 0 DGAERO Cc1coc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000718033114 662215179 /nfs/dbraw/zinc/21/51/79/662215179.db2.gz YZXCJXMWNABMAJ-ZIAGYGMSSA-N 1 0 308.422 3.466 10 0 DGAERO Cc1coc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000718053979 662216277 /nfs/dbraw/zinc/21/62/77/662216277.db2.gz TYCIKAOMADWWSY-UONOGXRCSA-N 1 0 308.422 3.371 10 0 DGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000089629228 662245976 /nfs/dbraw/zinc/24/59/76/662245976.db2.gz ALHRXOGRMICBNH-KBPBESRZSA-N 1 0 303.512 3.394 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnc(Cl)c(C)c2)[C@@H](C)C1 ZINC000246046276 662246464 /nfs/dbraw/zinc/24/64/64/662246464.db2.gz PMHKQZVWJAXZTJ-GXTWGEPZSA-N 1 0 324.856 3.237 10 0 DGAERO CCN(CC[NH2+][C@@H]1CCC[C@H](OC)CC1)C(=O)OC(C)(C)C ZINC000718737175 662261026 /nfs/dbraw/zinc/26/10/26/662261026.db2.gz TULFYYKNFAPFGA-CABCVRRESA-N 1 0 314.470 3.181 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000718791507 662262010 /nfs/dbraw/zinc/26/20/10/662262010.db2.gz PNRBUHJGGFQIEC-SOUVJXGZSA-N 1 0 314.470 3.085 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(Cl)c1Cl ZINC000090468172 662264542 /nfs/dbraw/zinc/26/45/42/662264542.db2.gz KEXQPIKWKSPYRW-NXEZZACHSA-N 1 0 322.257 3.221 10 0 DGAERO CO[C@H]([C@H](C)[NH2+]Cc1nc(C)c(Br)s1)C1CC1 ZINC000719232425 662271837 /nfs/dbraw/zinc/27/18/37/662271837.db2.gz SJSVVLQDUZOTFK-WRWORJQWSA-N 1 0 319.268 3.117 10 0 DGAERO CC[C@@](C)(C[NH2+]Cc1nc(C)c(Br)s1)OC ZINC000719256094 662272352 /nfs/dbraw/zinc/27/23/52/662272352.db2.gz FMIMEPCOFIGSKW-NSHDSACASA-N 1 0 307.257 3.119 10 0 DGAERO CC[C@@H](C)[C@H](C[NH2+]Cc1nc(C)c(Br)s1)OC ZINC000719288914 662272796 /nfs/dbraw/zinc/27/27/96/662272796.db2.gz QZMHSHICMPRGPS-SCZZXKLOSA-N 1 0 321.284 3.365 10 0 DGAERO CO[C@]1(C[NH2+]Cc2sccc2Br)CCSC1 ZINC000719304041 662273540 /nfs/dbraw/zinc/27/35/40/662273540.db2.gz VMEUXDFCGICSPE-NSHDSACASA-N 1 0 322.293 3.122 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2csc(Br)c2)CCSC1 ZINC000719304409 662273587 /nfs/dbraw/zinc/27/35/87/662273587.db2.gz WZCDJLDZYVLJIW-LLVKDONJSA-N 1 0 322.293 3.122 10 0 DGAERO CO[C@]1(C[NH2+]Cc2cccc(Br)c2)CCSC1 ZINC000719316767 662273735 /nfs/dbraw/zinc/27/37/35/662273735.db2.gz SRCABWKHZGJCGE-ZDUSSCGKSA-N 1 0 316.264 3.061 10 0 DGAERO C[C@@H](O)C(C)(C)[NH2+]Cc1cccc(Cl)c1Br ZINC000719467492 662288116 /nfs/dbraw/zinc/28/81/16/662288116.db2.gz IQAONKOAFXDGBI-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO Cc1ccc(C[NH2+]CCc2ccn(C)n2)c(C)c1Br ZINC000719524881 662291641 /nfs/dbraw/zinc/29/16/41/662291641.db2.gz OOVKHGMVFXEQAZ-UHFFFAOYSA-N 1 0 322.250 3.132 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1cc(Br)cs1 ZINC000719650550 662295390 /nfs/dbraw/zinc/29/53/90/662295390.db2.gz YNHFMPBHIGRELX-IQJOONFLSA-N 1 0 303.269 3.254 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cc(Br)cs1 ZINC000719650554 662295463 /nfs/dbraw/zinc/29/54/63/662295463.db2.gz YNHFMPBHIGRELX-QXEWZRGKSA-N 1 0 303.269 3.254 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1sccc1Br ZINC000719650442 662295478 /nfs/dbraw/zinc/29/54/78/662295478.db2.gz XNEQUIIVJCIOJO-QXEWZRGKSA-N 1 0 303.269 3.254 10 0 DGAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000247012690 662296764 /nfs/dbraw/zinc/29/67/64/662296764.db2.gz LKOCRCYDAIEUOK-WBVHZDCISA-N 1 0 319.445 3.000 10 0 DGAERO CC(C)NC(=S)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719863282 662297588 /nfs/dbraw/zinc/29/75/88/662297588.db2.gz ZASULHCLTGTBOB-KRWDZBQOSA-N 1 0 319.518 3.256 10 0 DGAERO COc1ccc(C[NH2+][C@H](C)C(C)(C)OC)c(Cl)c1OC ZINC000720149979 662303096 /nfs/dbraw/zinc/30/30/96/662303096.db2.gz OTFYUFRUJYSCCX-SNVBAGLBSA-N 1 0 301.814 3.260 10 0 DGAERO C[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@H](CO)C(C)(C)C ZINC000091686552 662312652 /nfs/dbraw/zinc/31/26/52/662312652.db2.gz KZVLFSMFWUGNPN-GOEBONIOSA-N 1 0 324.852 3.172 10 0 DGAERO CCOCC[N@H+](CC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091744763 662316931 /nfs/dbraw/zinc/31/69/31/662316931.db2.gz JISKNYJTBJSNAQ-HNNXBMFYSA-N 1 0 310.825 3.191 10 0 DGAERO C[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)CC1CCOCC1 ZINC000092225540 662328702 /nfs/dbraw/zinc/32/87/02/662328702.db2.gz PANXQNZFPNLEHZ-INIZCTEOSA-N 1 0 322.836 3.191 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000248833292 662360532 /nfs/dbraw/zinc/36/05/32/662360532.db2.gz MMBZPLRGJOTDQH-HOZXKAFVSA-N 1 0 318.244 3.261 10 0 DGAERO Brc1ccoc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723974756 685276165 /nfs/dbraw/zinc/27/61/65/685276165.db2.gz BBHVWEWKIGONPR-BXUZGUMPSA-N 1 0 314.223 3.337 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000227321187 685117758 /nfs/dbraw/zinc/11/77/58/685117758.db2.gz ZWTGINPQPGXQML-GZBFAFLISA-N 1 0 304.459 3.105 10 0 DGAERO C[C@H](C[NH2+]Cc1cncc2ccccc21)NC(=O)OC(C)(C)C ZINC000227682384 685118408 /nfs/dbraw/zinc/11/84/08/685118408.db2.gz FGMHUTVGLJYHKV-CYBMUJFWSA-N 1 0 315.417 3.238 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccc(Cl)s1 ZINC000255117000 685120831 /nfs/dbraw/zinc/12/08/31/685120831.db2.gz QBJDHNRNAQUNRN-ZVTBTPLYSA-N 1 0 312.866 3.357 10 0 DGAERO Cc1nc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)s1 ZINC000379478366 685148118 /nfs/dbraw/zinc/14/81/18/685148118.db2.gz JSFAELCTZROFKD-SNVBAGLBSA-N 1 0 313.467 3.105 10 0 DGAERO CCSCC[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000380994484 685154756 /nfs/dbraw/zinc/15/47/56/685154756.db2.gz LZWZADRCSINXDX-ZDUSSCGKSA-N 1 0 302.484 3.119 10 0 DGAERO CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000381416884 685158058 /nfs/dbraw/zinc/15/80/58/685158058.db2.gz WIFDFAMTRGDOIS-XXFAHNHDSA-N 1 0 324.309 3.238 10 0 DGAERO CCc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cc1 ZINC000381725547 685158803 /nfs/dbraw/zinc/15/88/03/685158803.db2.gz JOXHMEJSEXSUMX-SREVYHEPSA-N 1 0 304.434 3.420 10 0 DGAERO Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc(C)c1O ZINC000381670055 685158970 /nfs/dbraw/zinc/15/89/70/685158970.db2.gz BTOZULCEAGTRTF-KBPBESRZSA-N 1 0 322.449 3.400 10 0 DGAERO CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000381689752 685159081 /nfs/dbraw/zinc/15/90/81/685159081.db2.gz FGDPMFBRCKOVMQ-KBPBESRZSA-N 1 0 322.449 3.477 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CC2CCC1CC2)C1CC1 ZINC000381975285 685161759 /nfs/dbraw/zinc/16/17/59/685161759.db2.gz IGFPFAWVFJFBFU-GMEATFMZSA-N 1 0 308.466 3.458 10 0 DGAERO Brc1cnn(CCC[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000382289712 685163542 /nfs/dbraw/zinc/16/35/42/685163542.db2.gz PTHJSEHXOFBRIY-ORHYLEIMSA-N 1 0 312.255 3.204 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000382456193 685164146 /nfs/dbraw/zinc/16/41/46/685164146.db2.gz QPNIIFABKJLTPO-BFHYXJOUSA-N 1 0 314.470 3.083 10 0 DGAERO C[C@H]1CC[N@H+](CC2(O)CCCCC2)CCN1Cc1ccccc1 ZINC000382654912 685164542 /nfs/dbraw/zinc/16/45/42/685164542.db2.gz HHRJWFUDOONCCI-SFHVURJKSA-N 1 0 316.489 3.278 10 0 DGAERO O[C@H](C[NH2+]CCCCOCc1ccccc1)c1ccccc1F ZINC000390584937 685203038 /nfs/dbraw/zinc/20/30/38/685203038.db2.gz LQORLKZBNUGLJS-LJQANCHMSA-N 1 0 317.404 3.446 10 0 DGAERO C[C@H](C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000390784638 685205404 /nfs/dbraw/zinc/20/54/04/685205404.db2.gz VJPSRTUPEXUAHD-WHLNPGIBSA-N 1 0 304.434 3.461 10 0 DGAERO C[N@H+](CCC(=O)C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000390808411 685206487 /nfs/dbraw/zinc/20/64/87/685206487.db2.gz OLPQDXSFDNHROT-KRWDZBQOSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H](Cc1ccc(F)cc1)[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000393950005 685219903 /nfs/dbraw/zinc/21/99/03/685219903.db2.gz VKCKHRZMAVLFQM-GXMNPTEKSA-N 1 0 322.424 3.427 10 0 DGAERO COc1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1OC ZINC000399030221 685239035 /nfs/dbraw/zinc/23/90/35/685239035.db2.gz JRHGGUQZXFXQHY-LLVKDONJSA-N 1 0 304.217 3.377 10 0 DGAERO CC[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1F ZINC000227608789 1176246645 /nfs/dbraw/zinc/24/66/45/1176246645.db2.gz BMWAJWPFSYPZGS-OAHLLOKOSA-N 1 0 308.397 3.486 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CCc1ccncc1 ZINC000395145884 1176758338 /nfs/dbraw/zinc/75/83/38/1176758338.db2.gz BFJCTVWSSUMJGB-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000398116442 1176784243 /nfs/dbraw/zinc/78/42/43/1176784243.db2.gz FXFBNWSGLCTMIG-AABGKKOBSA-N 1 0 318.505 3.284 10 0 DGAERO C[C@@H]([NH2+]CCC(F)F)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000395115429 1176785053 /nfs/dbraw/zinc/78/50/53/1176785053.db2.gz ITPZTHFYGMADQY-VXGBXAGGSA-N 1 0 306.397 3.409 10 0 DGAERO C[C@@H](O)C[C@@H](C)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000228089395 1176803060 /nfs/dbraw/zinc/80/30/60/1176803060.db2.gz VZSHESSWTJZPIJ-OKZRHMCRSA-N 1 0 312.251 3.444 10 0 DGAERO CC(C)CSCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000397351360 1177004037 /nfs/dbraw/zinc/00/40/37/1177004037.db2.gz UQRABIMHOZOHDQ-UHFFFAOYSA-N 1 0 303.475 3.410 10 0 DGAERO CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1C)ONC(=O)OC(C)(C)C ZINC000398703126 1177028355 /nfs/dbraw/zinc/02/83/55/1177028355.db2.gz SEKVBYFJFDWSKH-IHRRRGAJSA-N 1 0 300.443 3.246 10 0 DGAERO CC[C@H](C)[C@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000381112241 1177336794 /nfs/dbraw/zinc/33/67/94/1177336794.db2.gz CGTTXALLXAOERF-ZNMIVQPWSA-N 1 0 316.486 3.331 10 0 DGAERO Cc1ccoc1C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722192 1177408217 /nfs/dbraw/zinc/40/82/17/1177408217.db2.gz JUKPCUIGXPCJQK-TZMCWYRMSA-N 1 0 308.422 3.323 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000085359903 1177648849 /nfs/dbraw/zinc/64/88/49/1177648849.db2.gz MUNFBKYQZZPQIB-NEPJUHHUSA-N 1 0 300.374 3.457 10 0 DGAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000085368081 1177712381 /nfs/dbraw/zinc/71/23/81/1177712381.db2.gz SHRGKYKIAHOPCE-JKSUJKDBSA-N 1 0 306.837 3.349 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085366699 1177712820 /nfs/dbraw/zinc/71/28/20/1177712820.db2.gz FNALAUGHHBOVDY-BXUZGUMPSA-N 1 0 315.244 3.469 10 0 DGAERO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388470904 1178073028 /nfs/dbraw/zinc/07/30/28/1178073028.db2.gz IOFQXGDYUNOQSV-SLFFLAALSA-N 1 0 316.489 3.134 10 0 DGAERO C[N@H+](CC1CCC(O)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388633887 1178075172 /nfs/dbraw/zinc/07/51/72/1178075172.db2.gz PKADAOHVXRBBLH-IOJLRTSASA-N 1 0 316.489 3.134 10 0 DGAERO CN1CCCC[C@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000044561444 1194287148 /nfs/dbraw/zinc/28/71/48/1194287148.db2.gz FQKNVQCIZJFLOD-JTQLQIEISA-N 1 0 303.269 3.085 10 0 DGAERO c1cc(-c2ccccc2)sc1C[NH2+]CCCN1CCOCC1 ZINC000061002830 1195168532 /nfs/dbraw/zinc/16/85/32/1195168532.db2.gz PBXLHLCEYRPREF-UHFFFAOYSA-N 1 0 316.470 3.227 10 0 DGAERO CN(CC[NH2+]Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000067221978 1195609042 /nfs/dbraw/zinc/60/90/42/1195609042.db2.gz XBMUMPMEGZTPQB-UHFFFAOYSA-N 1 0 320.440 3.094 10 0 DGAERO O[C@@H](C[NH2+]C1CC(c2ccccc2Br)C1)C1CC1 ZINC000071301298 1195949592 /nfs/dbraw/zinc/94/95/92/1195949592.db2.gz WZTCFMDJPYBALE-QOZQQMKHSA-N 1 0 310.235 3.056 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]CCCCOc3ccccc3)cc2)n1 ZINC000078879933 1196809836 /nfs/dbraw/zinc/80/98/36/1196809836.db2.gz WCAQDRGXYYSHJM-UHFFFAOYSA-N 1 0 322.412 3.216 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCCCOc1ccccc1 ZINC000079917508 1196997921 /nfs/dbraw/zinc/99/79/21/1196997921.db2.gz VCZNMGSLYYYBAO-UHFFFAOYSA-N 1 0 322.412 3.421 10 0 DGAERO COC(=O)c1oc(C[N@H+](C)[C@@H](C)Cc2ccsc2)cc1C ZINC000081599251 1197237670 /nfs/dbraw/zinc/23/76/70/1197237670.db2.gz SWZGCYJFJPDKMN-LBPRGKRZSA-N 1 0 307.415 3.499 10 0 DGAERO CC[C@](C)(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000322522641 1197688001 /nfs/dbraw/zinc/68/80/01/1197688001.db2.gz MMBNEBZUWCXIRA-XJKSGUPXSA-N 1 0 302.459 3.085 10 0 DGAERO CC[C@@](C)(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000322522639 1197688138 /nfs/dbraw/zinc/68/81/38/1197688138.db2.gz MMBNEBZUWCXIRA-CJNGLKHVSA-N 1 0 302.459 3.085 10 0 DGAERO O=C(OCc1ccccc1)N1CCC([NH2+]CCC(F)F)CC1 ZINC000381760751 1197705633 /nfs/dbraw/zinc/70/56/33/1197705633.db2.gz KCSBHADYRPBTLP-UHFFFAOYSA-N 1 0 312.360 3.032 10 0 DGAERO Brc1cnc(C[NH2+]CCc2ccsc2)s1 ZINC000389726896 1197710235 /nfs/dbraw/zinc/71/02/35/1197710235.db2.gz RERQAAHDYJXKFC-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000397969262 1197723256 /nfs/dbraw/zinc/72/32/56/1197723256.db2.gz MBZSXITWXMKBMG-UHFFFAOYSA-N 1 0 324.469 3.033 10 0 DGAERO c1nc(C[NH2+]CCOC[C@@H]2CCCO2)sc1-c1ccccc1 ZINC000092394337 1198567070 /nfs/dbraw/zinc/56/70/70/1198567070.db2.gz MLCGGDJKAMSZBX-HNNXBMFYSA-N 1 0 318.442 3.095 10 0 DGAERO Cc1ccnc(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000401660874 1199414378 /nfs/dbraw/zinc/41/43/78/1199414378.db2.gz DIVHHFAGFXIKAC-GDBMZVCRSA-N 1 0 319.449 3.125 10 0 DGAERO CC(C)SCC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401720898 1199416986 /nfs/dbraw/zinc/41/69/86/1199416986.db2.gz JBRXKEQZDZCGPM-UONOGXRCSA-N 1 0 316.511 3.363 10 0 DGAERO CC[C@](C)(C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)OC ZINC000401832921 1199420845 /nfs/dbraw/zinc/42/08/45/1199420845.db2.gz KFEDJBORIGMNOX-JKIFEVAISA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)OCCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404762930 1199583136 /nfs/dbraw/zinc/58/31/36/1199583136.db2.gz JXQNHNIEYGVVEN-KGLIPLIRSA-N 1 0 314.470 3.083 10 0 DGAERO Brc1cc(C[NH2+]CCOc2cccnc2)cs1 ZINC000114506951 1199701119 /nfs/dbraw/zinc/70/11/19/1199701119.db2.gz HWKNPOJXYNVZPL-UHFFFAOYSA-N 1 0 313.220 3.074 10 0 DGAERO CCc1ccccc1C[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000309680127 1199708943 /nfs/dbraw/zinc/70/89/43/1199708943.db2.gz CDXVTQWOXFWQFM-HJWRWDBZSA-N 1 0 304.434 3.420 10 0 DGAERO CCSCC[C@@H](C)[NH2+]Cc1ccc(Br)nc1 ZINC000309981326 1199711201 /nfs/dbraw/zinc/71/12/01/1199711201.db2.gz WHADSWBOPCJHBP-SNVBAGLBSA-N 1 0 303.269 3.465 10 0 DGAERO CC[C@H](C)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000312470701 1199752406 /nfs/dbraw/zinc/75/24/06/1199752406.db2.gz XBVPKNGIZGFDOR-NSHDSACASA-N 1 0 316.276 3.492 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@@H]2CCCC[C@H]2C)cs1)C1CC1 ZINC000115609722 1199755967 /nfs/dbraw/zinc/75/59/67/1199755967.db2.gz NQNWZBDIFOAWAM-IAQYHMDHSA-N 1 0 307.463 3.327 10 0 DGAERO Oc1ccc(CC[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000315189565 1199802164 /nfs/dbraw/zinc/80/21/64/1199802164.db2.gz ZHJAVQSKJLIXIN-UHFFFAOYSA-N 1 0 322.202 3.193 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCOC1CCCCCC1 ZINC000118454167 1199931357 /nfs/dbraw/zinc/93/13/57/1199931357.db2.gz RHJJEQCLKOFHPX-UHFFFAOYSA-N 1 0 314.433 3.301 10 0 DGAERO CCCCOCC[NH2+]Cc1cc(O)ccc1Br ZINC000126861269 1200635400 /nfs/dbraw/zinc/63/54/00/1200635400.db2.gz LCBFEHARUNSMIT-UHFFFAOYSA-N 1 0 302.212 3.061 10 0 DGAERO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1CSCCS1 ZINC000227533931 1201168939 /nfs/dbraw/zinc/16/89/39/1201168939.db2.gz GCFNZZZQPRXTOG-ZDUSSCGKSA-N 1 0 306.500 3.425 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000133448435 1201191058 /nfs/dbraw/zinc/19/10/58/1201191058.db2.gz ILCVRIYRBMJNTD-DIFFPNOSSA-N 1 0 318.280 3.004 10 0 DGAERO CCN(CCC[NH2+]Cc1cccc(OC)c1)C(=O)OC(C)(C)C ZINC000222040570 1202568120 /nfs/dbraw/zinc/56/81/20/1202568120.db2.gz VYERCHSOZUELST-UHFFFAOYSA-N 1 0 322.449 3.432 10 0 DGAERO Brc1ccc2ncc(C[NH2+][C@@H]3C=CCCC3)n2c1 ZINC000151187271 1202591625 /nfs/dbraw/zinc/59/16/25/1202591625.db2.gz AVIKELQIGRGQTI-GFCCVEGCSA-N 1 0 306.207 3.295 10 0 DGAERO c1cc(-c2nc(C[NH2+]CCCO[C@H]3CCOC3)cs2)cs1 ZINC000153025455 1202595723 /nfs/dbraw/zinc/59/57/23/1202595723.db2.gz LVYSGKFUCLPGPA-AWEZNQCLSA-N 1 0 324.471 3.157 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000236331164 1202605860 /nfs/dbraw/zinc/60/58/60/1202605860.db2.gz DCWXANNGKHJKPK-JSGCOSHPSA-N 1 0 305.809 3.374 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]Cc3ccc4c[nH]nc4c3)cc2)c1 ZINC000236577976 1202612657 /nfs/dbraw/zinc/61/26/57/1202612657.db2.gz NXTFNILTRZEBOG-UHFFFAOYSA-N 1 0 303.369 3.038 10 0 DGAERO O=C(CC[NH2+]Cc1ccccc1Cl)NCc1ccccc1 ZINC000237879887 1202745374 /nfs/dbraw/zinc/74/53/74/1202745374.db2.gz XHXUOZRCZQJEEV-UHFFFAOYSA-N 1 0 302.805 3.136 10 0 DGAERO Cc1ccc(Cl)cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000190419667 1203278751 /nfs/dbraw/zinc/27/87/51/1203278751.db2.gz MTYFGDHILNUDEL-CJNGLKHVSA-N 1 0 323.868 3.273 10 0 DGAERO CC(C)N(C)c1ccc(CNCc2nc3ccccc3n2C)cn1 ZINC000191492846 1203284543 /nfs/dbraw/zinc/28/45/43/1203284543.db2.gz WTSDULGKGXPMSN-UHFFFAOYSA-N 1 0 323.444 3.103 10 0 DGAERO Fc1cc(OCC[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1Cl ZINC000192079083 1203287374 /nfs/dbraw/zinc/28/73/74/1203287374.db2.gz HUFBWWGPXUOWQG-WBMJQRKESA-N 1 0 313.800 3.359 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000175401629 1203919394 /nfs/dbraw/zinc/91/93/94/1203919394.db2.gz QROYLAPWIFEMPT-ZQHYZAEZSA-N 1 0 318.461 3.191 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000177547813 1203955518 /nfs/dbraw/zinc/95/55/18/1203955518.db2.gz RVKQLGLZQDVJLS-KSUAYFRJSA-N 1 0 316.445 3.088 10 0 DGAERO CCOc1cccc([C@@H](C)NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)c1 ZINC000262214843 1204308680 /nfs/dbraw/zinc/30/86/80/1204308680.db2.gz OOHXCRQOUPWDOJ-SIXWZSSISA-N 1 0 316.445 3.042 10 0 DGAERO CCOCCCN[C@@H](c1nccn1C)c1ccccc1Cl ZINC000180567352 1204332201 /nfs/dbraw/zinc/33/22/01/1204332201.db2.gz FFYNCDPWZPYESW-OAHLLOKOSA-N 1 0 307.825 3.179 10 0 DGAERO C[C@@H]([NH2+]CCOc1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000181556676 1204337912 /nfs/dbraw/zinc/33/79/12/1204337912.db2.gz XZXXKAWNZJYRJS-CYBMUJFWSA-N 1 0 310.353 3.017 10 0 DGAERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000182793998 1204342814 /nfs/dbraw/zinc/34/28/14/1204342814.db2.gz HCAFEYZTGSEDJK-NRMMMPIQSA-N 1 0 304.390 3.057 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000398594173 1082174824 /nfs/dbraw/zinc/17/48/24/1082174824.db2.gz XUSSWJFXHJZKIM-LBPRGKRZSA-N 1 0 316.239 3.098 10 0 DGAERO O=C(/C=C\c1cccnc1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000588424071 1082220707 /nfs/dbraw/zinc/22/07/07/1082220707.db2.gz RNQUMKPXGLSCDG-OEIFXAAASA-N 1 0 322.408 3.303 10 0 DGAERO CC[NH+](CC)CCCNC(=O)/C(C)=C\c1ccc(OC)c(F)c1 ZINC000588444387 1082289167 /nfs/dbraw/zinc/28/91/67/1082289167.db2.gz ZSFGXVULAWWDEO-OWBHPGMISA-N 1 0 322.424 3.086 10 0 DGAERO CC(C)COCCC[NH2+]Cc1ncc(Br)s1 ZINC000309400748 1083058796 /nfs/dbraw/zinc/05/87/96/1083058796.db2.gz WFVNXCFOUOEYHE-UHFFFAOYSA-N 1 0 307.257 3.058 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000255302326 1083203030 /nfs/dbraw/zinc/20/30/30/1083203030.db2.gz KWNYTWUMFPFXJU-NXVVXOECSA-N 1 0 316.445 3.091 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000155324600 1084776246 /nfs/dbraw/zinc/77/62/46/1084776246.db2.gz BLCROCOYQQLFDI-VXGBXAGGSA-N 1 0 300.374 3.457 10 0 DGAERO CCN1CC[C@@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000712610257 1085765851 /nfs/dbraw/zinc/76/58/51/1085765851.db2.gz YGYQJUXQUYVPGH-GFCCVEGCSA-N 1 0 317.658 3.286 10 0 DGAERO CC(C)(C)OC(=O)NCCCCCC[NH2+]Cc1cnsc1 ZINC000712841719 1085830865 /nfs/dbraw/zinc/83/08/65/1085830865.db2.gz HNGHQZOYKSYGCX-UHFFFAOYSA-N 1 0 313.467 3.318 10 0 DGAERO C[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccccn1 ZINC000709585367 1091225158 /nfs/dbraw/zinc/22/51/58/1091225158.db2.gz ROQBXUIFFBWRFT-ZDUSSCGKSA-N 1 0 307.438 3.078 10 0 DGAERO C[C@@H]([NH2+]CCOC(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400481014 1093899529 /nfs/dbraw/zinc/89/95/29/1093899529.db2.gz FONLHYLYASUNQZ-KGLIPLIRSA-N 1 0 314.470 3.179 10 0 DGAERO COCCCCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401783192 1093972109 /nfs/dbraw/zinc/97/21/09/1093972109.db2.gz RMNPBGAULAYQEJ-HUUCEWRRSA-N 1 0 314.470 3.038 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CO1 ZINC000401962089 1093982554 /nfs/dbraw/zinc/98/25/54/1093982554.db2.gz XVSWODCBCKICAR-RBSFLKMASA-N 1 0 324.465 3.076 10 0 DGAERO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403572259 1094143020 /nfs/dbraw/zinc/14/30/20/1094143020.db2.gz MZXBJIHQNPTBIU-RLAWYHOSSA-N 1 0 314.495 3.163 10 0 DGAERO Brc1cnn(CCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403716641 1094169998 /nfs/dbraw/zinc/16/99/98/1094169998.db2.gz YUCOKYNHFINROH-FRRDWIJNSA-N 1 0 312.255 3.062 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404667428 1094264462 /nfs/dbraw/zinc/26/44/62/1094264462.db2.gz AYLYXSXPFWLUHD-OLZOCXBDSA-N 1 0 314.495 3.023 10 0 DGAERO Cc1cccnc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000405004326 1094281496 /nfs/dbraw/zinc/28/14/96/1094281496.db2.gz YBJHYKINBRXOBZ-FXAWDEMLSA-N 1 0 309.457 3.185 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)C12CCC2 ZINC000405207931 1094308228 /nfs/dbraw/zinc/30/82/28/1094308228.db2.gz GXYNWZOCCDLAKP-GHMZBOCLSA-N 1 0 322.371 3.364 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C)c(Br)c1 ZINC000313606788 1095013755 /nfs/dbraw/zinc/01/37/55/1095013755.db2.gz JLCBLBYEAASONV-DZGCQCFKSA-N 1 0 312.251 3.350 10 0 DGAERO CCC[NH2+]C[C@H](C)N(C)C(=O)c1cccc(Cl)c1Cl ZINC000721687229 1097839972 /nfs/dbraw/zinc/83/99/72/1097839972.db2.gz RHFLWJPJMLMSHI-JTQLQIEISA-N 1 0 303.233 3.454 10 0 DGAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000722500754 1100270123 /nfs/dbraw/zinc/27/01/23/1100270123.db2.gz LCEKJXNPEAVGJQ-ILXRZTDVSA-N 1 0 312.454 3.486 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(Br)cc1C ZINC000716843590 1101776168 /nfs/dbraw/zinc/77/61/68/1101776168.db2.gz KUEWBNPSUQIIJB-BXUZGUMPSA-N 1 0 300.240 3.397 10 0 DGAERO Cc1coc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1 ZINC000718121952 1104522397 /nfs/dbraw/zinc/52/23/97/1104522397.db2.gz JBGIMANODYHAPP-CQSZACIVSA-N 1 0 308.422 3.466 10 0 DGAERO C[NH2+]CCCCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000719679734 1104976131 /nfs/dbraw/zinc/97/61/31/1104976131.db2.gz PZNLCYINGYEGJU-ZDUSSCGKSA-N 1 0 312.866 3.383 10 0 DGAERO C[NH2+]CCCCC(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000719745442 1105005052 /nfs/dbraw/zinc/00/50/52/1105005052.db2.gz UFYMBSKGPANEBW-UHFFFAOYSA-N 1 0 313.239 3.394 10 0 DGAERO Cc1cn(C)nc1C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000723937824 1106466620 /nfs/dbraw/zinc/46/66/20/1106466620.db2.gz GVAMKVARPNECLV-QZTJIDSGSA-N 1 0 313.445 3.202 10 0 DGAERO Cc1cnc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000724056597 1106601193 /nfs/dbraw/zinc/60/11/93/1106601193.db2.gz FKEBILKLZXUHON-IONNQARKSA-N 1 0 318.311 3.051 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)c1cnn(C)c1 ZINC000380980292 1108080728 /nfs/dbraw/zinc/08/07/28/1108080728.db2.gz CVLDQAZHABJHCY-VIFPVBQESA-N 1 0 312.186 3.173 10 0 DGAERO CCCn1cncc1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000381056313 1108089798 /nfs/dbraw/zinc/08/97/98/1108089798.db2.gz IROUAHUNCMVBEY-LPHOPBHVSA-N 1 0 312.461 3.046 10 0 DGAERO C[C@@H](CCNCc1ccc(Br)c(F)c1F)[NH+](C)C ZINC000701007974 1108886191 /nfs/dbraw/zinc/88/61/91/1108886191.db2.gz PRIGMJPXUCQVHO-VIFPVBQESA-N 1 0 321.209 3.157 10 0 DGAERO c1ccc2c(c1)cncc2C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000393456716 1109017290 /nfs/dbraw/zinc/01/72/90/1109017290.db2.gz PVQYZVPEKNLEPL-MRXNPFEDSA-N 1 0 306.365 3.164 10 0 DGAERO CN1CCC[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000234324752 546278131 /nfs/dbraw/zinc/27/81/31/546278131.db2.gz WMNNLUKGPUKKIF-NSHDSACASA-N 1 0 317.658 3.286 10 0 DGAERO Cc1nc2ccccc2nc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000187775203 282086930 /nfs/dbraw/zinc/08/69/30/282086930.db2.gz GSTMZVNSAPVMEB-IEBWSBKVSA-N 1 0 321.428 3.408 10 0 DGAERO COC(=O)c1occc1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000076713360 185034712 /nfs/dbraw/zinc/03/47/12/185034712.db2.gz KJVWZWRZHXDWPL-INIZCTEOSA-N 1 0 317.360 3.412 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000300421802 546435620 /nfs/dbraw/zinc/43/56/20/546435620.db2.gz ITALCIBCIZUYFQ-DFBGVHRSSA-N 1 0 312.251 3.273 10 0 DGAERO c1ccc(C[N@@H+]2CCCO[C@H](CSC3CCOCC3)C2)cc1 ZINC000278660731 214308912 /nfs/dbraw/zinc/30/89/12/214308912.db2.gz XCHGNIUMZREEJH-KRWDZBQOSA-N 1 0 321.486 3.190 10 0 DGAERO CCCc1nc(-c2ccc(OC)c(OC)c2)sc1C[NH2+]C ZINC000082428449 185181281 /nfs/dbraw/zinc/18/12/81/185181281.db2.gz NISLBSXZDOFFKS-UHFFFAOYSA-N 1 0 306.431 3.499 10 0 DGAERO Cc1csc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000309905985 231106356 /nfs/dbraw/zinc/10/63/56/231106356.db2.gz QLRHSYQXSQQXHJ-UHFFFAOYSA-N 1 0 324.453 3.322 10 0 DGAERO COCC[C@H](COC)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000310506068 231114935 /nfs/dbraw/zinc/11/49/35/231114935.db2.gz SPQMFJFYINNVNL-NXEZZACHSA-N 1 0 322.268 3.213 10 0 DGAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cnn1C ZINC000328615569 231247080 /nfs/dbraw/zinc/24/70/80/231247080.db2.gz AXCVYRLUWNUCMS-YURQEKFMSA-N 1 0 315.417 3.065 10 0 DGAERO COc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)c2ccccc12 ZINC000129350068 432004528 /nfs/dbraw/zinc/00/45/28/432004528.db2.gz SMWUCPFRXZWVBB-LRTDBIEQSA-N 1 0 305.443 3.095 10 0 DGAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000328639842 231276691 /nfs/dbraw/zinc/27/66/91/231276691.db2.gz PRKBKNGSNGKDAD-HNAYVOBHSA-N 1 0 324.428 3.252 10 0 DGAERO Cc1nccc(C[NH2+][C@H]2CCc3cc(Br)ccc32)n1 ZINC000040227654 282184716 /nfs/dbraw/zinc/18/47/16/282184716.db2.gz SCNYSVJYLMYNLT-HNNXBMFYSA-N 1 0 318.218 3.325 10 0 DGAERO CCc1cc(N2CCC[C@H]([NH+]3CCCCCC3)C2)nc(C)n1 ZINC000302043083 529532761 /nfs/dbraw/zinc/53/27/61/529532761.db2.gz JBRYETAWGMDPRY-KRWDZBQOSA-N 1 0 302.466 3.192 10 0 DGAERO [NH3+][C@H](C(=O)Nc1ccc(Br)c(F)c1)c1ccccc1 ZINC000088083838 185239271 /nfs/dbraw/zinc/23/92/71/185239271.db2.gz ZKNJMALSXWBDBK-ZDUSSCGKSA-N 1 0 323.165 3.227 10 0 DGAERO CCc1ccc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)o1 ZINC000328628442 529635530 /nfs/dbraw/zinc/63/55/30/529635530.db2.gz HGSKLIBAJVOEMW-LPHOPBHVSA-N 1 0 313.445 3.362 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000188148075 282221165 /nfs/dbraw/zinc/22/11/65/282221165.db2.gz XMCYBASOASVARE-DZGCQCFKSA-N 1 0 307.401 3.383 10 0 DGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc(OC)c1F ZINC000090368629 185293012 /nfs/dbraw/zinc/29/30/12/185293012.db2.gz KMUHXPQKFWKVQE-UHFFFAOYSA-N 1 0 324.440 3.274 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(Br)s1 ZINC000090513594 185300118 /nfs/dbraw/zinc/30/01/18/185300118.db2.gz UKWIYHQMFWZSDF-OMQMVUIESA-N 1 0 324.309 3.318 10 0 DGAERO Cc1c(Br)cccc1C[NH+]1CCC([C@H](C)O)CC1 ZINC000090548814 185302323 /nfs/dbraw/zinc/30/23/23/185302323.db2.gz KOULTQRWYWNKLP-LBPRGKRZSA-N 1 0 312.251 3.350 10 0 DGAERO O=c1ccc2ccc(OC3CCC4(CC[NH2+]CC4)CC3)cc2o1 ZINC000090658638 185308430 /nfs/dbraw/zinc/30/84/30/185308430.db2.gz LHYITTSBKHJXEU-UHFFFAOYSA-N 1 0 313.397 3.484 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1OC ZINC000092510331 185323352 /nfs/dbraw/zinc/32/33/52/185323352.db2.gz YRDAYZZGFDVIHR-VGMNTSGFSA-N 1 0 316.445 3.041 10 0 DGAERO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000092733976 185337272 /nfs/dbraw/zinc/33/72/72/185337272.db2.gz UGPBKPTWPSOLCF-QGZVFWFLSA-N 1 0 318.461 3.050 10 0 DGAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000092754555 185338303 /nfs/dbraw/zinc/33/83/03/185338303.db2.gz RRBDHNLRQKTCEL-CYBMUJFWSA-N 1 0 324.415 3.338 10 0 DGAERO C[NH+](C)[C@@H]1CCCN(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000092938296 185349860 /nfs/dbraw/zinc/34/98/60/185349860.db2.gz GOGLALLFKCOKNE-GOSISDBHSA-N 1 0 313.420 3.414 10 0 DGAERO Cc1cnc(CC[N@H+](C)CCC(=O)OCc2ccccc2)s1 ZINC000181494876 199306260 /nfs/dbraw/zinc/30/62/60/199306260.db2.gz FTXJTESTEJUCFA-UHFFFAOYSA-N 1 0 318.442 3.059 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccccc1Br ZINC000181573032 199320120 /nfs/dbraw/zinc/32/01/20/199320120.db2.gz ONAFDBGAMCWPMJ-WDEREUQCSA-N 1 0 312.207 3.053 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@H](c2ccco2)N(C)C)cc1 ZINC000181616384 199327958 /nfs/dbraw/zinc/32/79/58/199327958.db2.gz HLGDTBOBKRSJMV-WMLDXEAASA-N 1 0 302.418 3.284 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000129645628 432007741 /nfs/dbraw/zinc/00/77/41/432007741.db2.gz BDZHFDYIYCRNRR-UONOGXRCSA-N 1 0 321.465 3.492 10 0 DGAERO C[N@H+](CCCNC(=O)N1CCCC12CCC2)Cc1ccccc1 ZINC000444883869 529889435 /nfs/dbraw/zinc/88/94/35/529889435.db2.gz XPNYIKYJPOKVDQ-UHFFFAOYSA-N 1 0 315.461 3.237 10 0 DGAERO C[N@H+](C[C@@H](O)CC1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309804485 529942082 /nfs/dbraw/zinc/94/20/82/529942082.db2.gz TWNLMWPFONBCII-UXHICEINSA-N 1 0 316.489 3.134 10 0 DGAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1Cl ZINC000037201459 190664836 /nfs/dbraw/zinc/66/48/36/190664836.db2.gz VRXYNIHAHWIHIZ-VIFPVBQESA-N 1 0 316.232 3.187 10 0 DGAERO C[C@H]([NH3+])Cc1cc(Br)ccc1OCc1ccccn1 ZINC000037725180 190665312 /nfs/dbraw/zinc/66/53/12/190665312.db2.gz KDDOUZBOCSACLC-NSHDSACASA-N 1 0 321.218 3.313 10 0 DGAERO O=C(Cc1cccc(Cl)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107529483 185482967 /nfs/dbraw/zinc/48/29/67/185482967.db2.gz AMNSGIYJJZIWEX-QGZVFWFLSA-N 1 0 320.864 3.359 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000227794195 201806387 /nfs/dbraw/zinc/80/63/87/201806387.db2.gz FKJXUUIOOOIDNW-UFGOTCBOSA-N 1 0 300.324 3.010 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(-c3ccccc3)o1)CC2 ZINC000109073053 185549573 /nfs/dbraw/zinc/54/95/73/185549573.db2.gz YTMVVOMQVNJVDS-OAHLLOKOSA-N 1 0 322.412 3.205 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000111398610 185591964 /nfs/dbraw/zinc/59/19/64/185591964.db2.gz HAQVAWNCVRBMEX-SJLPKXTDSA-N 1 0 304.397 3.365 10 0 DGAERO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1 ZINC000065984246 432013702 /nfs/dbraw/zinc/01/37/02/432013702.db2.gz VEWGLXBOWPDCLI-UHFFFAOYSA-N 1 0 315.392 3.421 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](CCCc3ccccc3Cl)C2)cn1 ZINC000181890500 199364031 /nfs/dbraw/zinc/36/40/31/199364031.db2.gz KRCFNNHESZGJJM-HNNXBMFYSA-N 1 0 303.837 3.496 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000066425219 432016033 /nfs/dbraw/zinc/01/60/33/432016033.db2.gz FUPVOOKLVQWKDN-HNNXBMFYSA-N 1 0 308.853 3.262 10 0 DGAERO Brc1cncc(NC2CC([NH+]3CCCCC3)C2)c1 ZINC000373680025 293304725 /nfs/dbraw/zinc/30/47/25/293304725.db2.gz HTKCXHBWPLVDLB-UHFFFAOYSA-N 1 0 310.239 3.273 10 0 DGAERO CCc1ccc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1F ZINC000123731018 185836804 /nfs/dbraw/zinc/83/68/04/185836804.db2.gz PFRACEDOPFZNDQ-KRWDZBQOSA-N 1 0 322.424 3.120 10 0 DGAERO CCc1cnc(CC[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000130292110 432020608 /nfs/dbraw/zinc/02/06/08/432020608.db2.gz PMLMBWILSSEOEB-LBPRGKRZSA-N 1 0 318.442 3.370 10 0 DGAERO CCc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccccc2F)n1 ZINC000070456103 190896520 /nfs/dbraw/zinc/89/65/20/190896520.db2.gz NMJXPMWJWZFYNZ-UHFFFAOYSA-N 1 0 314.408 3.020 10 0 DGAERO C[C@H](C(=O)NCc1ccccc1Cl)[C@@H]([NH3+])c1ccccc1 ZINC000130045453 185931997 /nfs/dbraw/zinc/93/19/97/185931997.db2.gz ILKPBQNQORYFCY-BLLLJJGKSA-N 1 0 302.805 3.292 10 0 DGAERO CCC[N@H+](CCC(=O)Nc1ccccc1)C[C@@H]1CCCCO1 ZINC000106866619 432023463 /nfs/dbraw/zinc/02/34/63/432023463.db2.gz DHKAKZFCSMQHCY-KRWDZBQOSA-N 1 0 304.434 3.296 10 0 DGAERO CCCCCOc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170863322 197839369 /nfs/dbraw/zinc/83/93/69/197839369.db2.gz BOPWRPOJADFBKI-MRXNPFEDSA-N 1 0 304.434 3.032 10 0 DGAERO CC(C)[C@@H]1C[N@@H+](C(C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071767770 191028872 /nfs/dbraw/zinc/02/88/72/191028872.db2.gz PQSZAYCKWOLESH-KRWDZBQOSA-N 1 0 306.425 3.293 10 0 DGAERO Cc1cc(C(=O)Nc2nc3c(s2)C[NH2+]CC3)ccc1Cl ZINC000138310901 186015988 /nfs/dbraw/zinc/01/59/88/186015988.db2.gz KHYZPSFMHOSGJD-UHFFFAOYSA-N 1 0 307.806 3.003 10 0 DGAERO C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246574216 290248322 /nfs/dbraw/zinc/24/83/22/290248322.db2.gz VTCVSAYRMSEJJE-CKEIUWERSA-N 1 0 308.853 3.054 10 0 DGAERO Brc1ccc(CN2CCC[N@@H+](C3CC3)CC2)s1 ZINC000145681636 186037226 /nfs/dbraw/zinc/03/72/26/186037226.db2.gz TZGGDBAIBWTYHN-UHFFFAOYSA-N 1 0 315.280 3.181 10 0 DGAERO FC(F)(F)Oc1ccc2nc(NC3CC[NH2+]CC3)sc2c1 ZINC000146463264 186038367 /nfs/dbraw/zinc/03/83/67/186038367.db2.gz XSZPDBOQMSTESK-UHFFFAOYSA-N 1 0 317.336 3.359 10 0 DGAERO Cc1ccc(CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000150739082 186062004 /nfs/dbraw/zinc/06/20/04/186062004.db2.gz QWAVIGCXLWFHCP-HNNXBMFYSA-N 1 0 306.475 3.076 10 0 DGAERO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1F ZINC000152481979 186078276 /nfs/dbraw/zinc/07/82/76/186078276.db2.gz OQNIVAICKWMTRJ-CYBMUJFWSA-N 1 0 318.371 3.271 10 0 DGAERO CCCCC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000164047422 186146859 /nfs/dbraw/zinc/14/68/59/186146859.db2.gz TVFGXQNBENEART-QGZVFWFLSA-N 1 0 303.450 3.441 10 0 DGAERO COC[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000171535032 186171352 /nfs/dbraw/zinc/17/13/52/186171352.db2.gz OAOCSFYGHWQTKY-OAHLLOKOSA-N 1 0 304.434 3.284 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000177859162 186194648 /nfs/dbraw/zinc/19/46/48/186194648.db2.gz BPFRGMAZUJYOHR-CZUORRHYSA-N 1 0 323.868 3.212 10 0 DGAERO Cn1c(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)nnc1C1CC1 ZINC000186039722 186234598 /nfs/dbraw/zinc/23/45/98/186234598.db2.gz MYHMGQXIKUFTCH-LJQANCHMSA-N 1 0 310.445 3.290 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000237447989 186290236 /nfs/dbraw/zinc/29/02/36/186290236.db2.gz JTRZTKMORDLBHV-UBDQQSCGSA-N 1 0 300.446 3.135 10 0 DGAERO C[C@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000237490066 186296786 /nfs/dbraw/zinc/29/67/86/186296786.db2.gz CHFZKXWHSIPSCD-AJSFGMTHSA-N 1 0 304.409 3.061 10 0 DGAERO CCOc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000171527890 197936369 /nfs/dbraw/zinc/93/63/69/197936369.db2.gz LPKAMOWWFANZDW-INIZCTEOSA-N 1 0 317.433 3.177 10 0 DGAERO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cncnc1 ZINC000171416739 197932833 /nfs/dbraw/zinc/93/28/33/197932833.db2.gz CWGURRVDDOYALY-ZDUSSCGKSA-N 1 0 303.431 3.003 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)C(C)C)CC1 ZINC000171912267 198007294 /nfs/dbraw/zinc/00/72/94/198007294.db2.gz PTRFTMZLHSWKDN-OAHLLOKOSA-N 1 0 303.450 3.059 10 0 DGAERO CC[C@@H](C)[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000172143316 198046348 /nfs/dbraw/zinc/04/63/48/198046348.db2.gz QPHSLHHOSAUPTN-OLZOCXBDSA-N 1 0 309.429 3.121 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)o1 ZINC000172520858 198109195 /nfs/dbraw/zinc/10/91/95/198109195.db2.gz BLWSJJORXZAVKX-HNNXBMFYSA-N 1 0 319.449 3.309 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2SC)[C@H](C)C1 ZINC000172608571 198123877 /nfs/dbraw/zinc/12/38/77/198123877.db2.gz SBFNBKSLXXUJBW-UKRRQHHQSA-N 1 0 306.475 3.211 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H](C)c1c(F)cccc1Cl)[NH+](C)C ZINC000130645624 432028204 /nfs/dbraw/zinc/02/82/04/432028204.db2.gz MSAUSNVTUHOJAQ-GWCFXTLKSA-N 1 0 300.805 3.387 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@H](O)COCc2ccccc2Cl)o1 ZINC000072522439 191186811 /nfs/dbraw/zinc/18/68/11/191186811.db2.gz IEKASIVOPRURGD-HNNXBMFYSA-N 1 0 323.820 3.251 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNCC1=Cc2ccccc2OC1 ZINC000130757115 432028974 /nfs/dbraw/zinc/02/89/74/432028974.db2.gz SQXLNNSSCXVNOC-GOSISDBHSA-N 1 0 300.446 3.172 10 0 DGAERO Cc1nc(CN2CC[C@H](C[NH+]3CCCCC3)C2)nc2ccccc12 ZINC000072719600 191221934 /nfs/dbraw/zinc/22/19/34/191221934.db2.gz WWOJPDSJENZUIU-QGZVFWFLSA-N 1 0 324.472 3.246 10 0 DGAERO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000173209095 198195167 /nfs/dbraw/zinc/19/51/67/198195167.db2.gz VMMYDHDOJJMNMY-JXFKEZNVSA-N 1 0 321.424 3.431 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000173244518 198201063 /nfs/dbraw/zinc/20/10/63/198201063.db2.gz VNJOLMZYEYXNPU-DLBZAZTESA-N 1 0 317.477 3.429 10 0 DGAERO C[C@H](C[NH2+]Cc1nncn1-c1ccccc1)Cc1ccccc1 ZINC000182053028 199380276 /nfs/dbraw/zinc/38/02/76/199380276.db2.gz IJROUMSDTPRURB-INIZCTEOSA-N 1 0 306.413 3.236 10 0 DGAERO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccnc1 ZINC000173721941 198244253 /nfs/dbraw/zinc/24/42/53/198244253.db2.gz FYSWJXLWGAAYKL-MRXNPFEDSA-N 1 0 323.440 3.097 10 0 DGAERO CCCn1ccc2ccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)cc21 ZINC000173904357 198266685 /nfs/dbraw/zinc/26/66/85/198266685.db2.gz SMTJCWQKQOILME-MRXNPFEDSA-N 1 0 314.433 3.219 10 0 DGAERO CCN(Cc1ccccc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173995326 198278099 /nfs/dbraw/zinc/27/80/99/198278099.db2.gz ACKUGQHMXRBHRV-AYHJJNSGSA-N 1 0 315.461 3.233 10 0 DGAERO CC(C)c1ccc(C2(O)CCC([NH2+]CC[C@@H](C)O)CC2)cc1 ZINC000182081482 199384327 /nfs/dbraw/zinc/38/43/27/199384327.db2.gz QCKRVWDKQCVVJB-VNCLNFNDSA-N 1 0 305.462 3.301 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)CSc2ccccc2C)CC1 ZINC000174124002 198295166 /nfs/dbraw/zinc/29/51/66/198295166.db2.gz KHQAEEFYAVNCQE-UHFFFAOYSA-N 1 0 320.502 3.325 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000174382754 198327864 /nfs/dbraw/zinc/32/78/64/198327864.db2.gz RFNIVNOBXIZNGK-PWSUYJOCSA-N 1 0 313.804 3.426 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000174785654 198385146 /nfs/dbraw/zinc/38/51/46/198385146.db2.gz JJDTTXPSUWDGHB-ROUUACIJSA-N 1 0 313.445 3.124 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)c3cccc(Cl)c3)C2)c1 ZINC000174785941 198385709 /nfs/dbraw/zinc/38/57/09/198385709.db2.gz NVUKOZYUQXGVDS-SJORKVTESA-N 1 0 319.836 3.215 10 0 DGAERO Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@@H]3CCNC3=O)cc2)c1 ZINC000179066569 432037418 /nfs/dbraw/zinc/03/74/18/432037418.db2.gz AEHOZHQJEKUYGP-DNVCBOLYSA-N 1 0 324.424 3.113 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000163666902 432039839 /nfs/dbraw/zinc/03/98/39/432039839.db2.gz YXPMTKRWJNCXOJ-JSGCOSHPSA-N 1 0 320.481 3.044 10 0 DGAERO O=C(Nc1ccccc1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107723827 432039971 /nfs/dbraw/zinc/03/99/71/432039971.db2.gz WSUBUHPYPWMCEA-CQSZACIVSA-N 1 0 305.397 3.308 10 0 DGAERO COC[C@@H](C)C[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000131909940 432041615 /nfs/dbraw/zinc/04/16/15/432041615.db2.gz LPOPEHYXLIJRQT-NSHDSACASA-N 1 0 303.349 3.011 10 0 DGAERO C[NH+](C)CCCC1CCN(C(=O)NCCC2=CCCC2)CC1 ZINC000163831303 432043397 /nfs/dbraw/zinc/04/33/97/432043397.db2.gz NREAHAPBTUACDH-UHFFFAOYSA-N 1 0 307.482 3.250 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H](SCc2ccccc2)C(C)C)CC1 ZINC000179139002 432044881 /nfs/dbraw/zinc/04/48/81/432044881.db2.gz SGAZBOPWEIWSET-KRWDZBQOSA-N 1 0 320.502 3.155 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H](C)Sc2ccccc2Cl)CC1 ZINC000179143141 432044968 /nfs/dbraw/zinc/04/49/68/432044968.db2.gz ZZJNVACGFBZJGM-NSHDSACASA-N 1 0 312.866 3.031 10 0 DGAERO C[C@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1[NH+]1CCCCC1 ZINC000073655103 191337192 /nfs/dbraw/zinc/33/71/92/191337192.db2.gz YVVMILIUYICIJG-RDJZCZTQSA-N 1 0 302.418 3.382 10 0 DGAERO CCc1nc(-c2ccc(C)cc2)nc(N2CCC[NH2+]CC2)c1C ZINC000073663354 191339625 /nfs/dbraw/zinc/33/96/25/191339625.db2.gz WBENIBRVUMWLIK-UHFFFAOYSA-N 1 0 310.445 3.123 10 0 DGAERO CCc1nc(-c2cccc(F)c2)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000073685149 191341477 /nfs/dbraw/zinc/34/14/77/191341477.db2.gz YLNBGOKJVONRES-HNNXBMFYSA-N 1 0 314.408 3.317 10 0 DGAERO CCc1nc(-c2cccc(Cl)c2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000073684044 191341726 /nfs/dbraw/zinc/34/17/26/191341726.db2.gz OSNYMTJAXFQHRV-CQSZACIVSA-N 1 0 316.836 3.205 10 0 DGAERO CCCN(Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132281479 432047234 /nfs/dbraw/zinc/04/72/34/432047234.db2.gz WEYSAUUXMDOSKC-FUHWJXTLSA-N 1 0 317.477 3.337 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132247020 432047512 /nfs/dbraw/zinc/04/75/12/432047512.db2.gz CKKMOQAYHRROHX-FUHWJXTLSA-N 1 0 317.477 3.255 10 0 DGAERO C[C@@H](CCC(C)(C)C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000077625319 191745158 /nfs/dbraw/zinc/74/51/58/191745158.db2.gz NBCYIMANXPXCSW-HNNXBMFYSA-N 1 0 309.498 3.471 10 0 DGAERO COc1cccc(F)c1[C@@H](C)[NH2+]CCCCn1ccnc1C ZINC000164627961 432050227 /nfs/dbraw/zinc/05/02/27/432050227.db2.gz KJLIDYIVONGSAO-CYBMUJFWSA-N 1 0 305.397 3.470 10 0 DGAERO CC(C)Cn1ccnc1CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000164817645 432052234 /nfs/dbraw/zinc/05/22/34/432052234.db2.gz BJFJNLQJGWPNSI-RCDICMHDSA-N 1 0 319.474 3.127 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000164999736 432052779 /nfs/dbraw/zinc/05/27/79/432052779.db2.gz BHWOCWIZCDTHHZ-HZMBPMFUSA-N 1 0 313.804 3.329 10 0 DGAERO Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@@H]1CCCOC1 ZINC000179316600 432054016 /nfs/dbraw/zinc/05/40/16/432054016.db2.gz UQYPWWWCJOQRAU-RNCFNFMXSA-N 1 0 314.198 3.344 10 0 DGAERO CC(C)Oc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1Cl ZINC000081248387 192239158 /nfs/dbraw/zinc/23/91/58/192239158.db2.gz RQNOHMOQJVOATO-UHFFFAOYSA-N 1 0 310.825 3.408 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000081363743 192256926 /nfs/dbraw/zinc/25/69/26/192256926.db2.gz CQNKPBYVTZZGDN-HNNXBMFYSA-N 1 0 320.452 3.294 10 0 DGAERO c1nn2ccccc2c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000179421504 432057132 /nfs/dbraw/zinc/05/71/32/432057132.db2.gz OVYKKXXIUUJSJJ-MRXNPFEDSA-N 1 0 321.380 3.400 10 0 DGAERO CCCOc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000179441438 432058712 /nfs/dbraw/zinc/05/87/12/432058712.db2.gz GPMMNMXMJPVRIQ-UHFFFAOYSA-N 1 0 305.422 3.033 10 0 DGAERO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000166453544 432060440 /nfs/dbraw/zinc/06/04/40/432060440.db2.gz PDMMLWMKPQJHMI-AEFFLSMTSA-N 1 0 312.461 3.357 10 0 DGAERO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000287545405 219577905 /nfs/dbraw/zinc/57/79/05/219577905.db2.gz PMNROPJXFPXXBQ-GFCCVEGCSA-N 1 0 300.402 3.391 10 0 DGAERO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000166453308 432060507 /nfs/dbraw/zinc/06/05/07/432060507.db2.gz PDMMLWMKPQJHMI-SJLPKXTDSA-N 1 0 312.461 3.357 10 0 DGAERO C[NH2+]C1CCN(C(=O)C(C)(C)CCCc2ccccc2)CC1 ZINC000237060162 202139261 /nfs/dbraw/zinc/13/92/61/202139261.db2.gz QFEJIMCAGJLLSL-UHFFFAOYSA-N 1 0 302.462 3.246 10 0 DGAERO CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237096445 202151273 /nfs/dbraw/zinc/15/12/73/202151273.db2.gz UTMWVUGXJKADPU-UKRRQHHQSA-N 1 0 324.852 3.085 10 0 DGAERO COC(=O)c1ccc(COc2ccccc2C[NH2+]C2CC2)cc1 ZINC000237115057 202156997 /nfs/dbraw/zinc/15/69/97/202156997.db2.gz SNUOXNOVCABRGF-UHFFFAOYSA-N 1 0 311.381 3.304 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2sccc2-c2ccccc2)CC1 ZINC000237141310 202166195 /nfs/dbraw/zinc/16/61/95/202166195.db2.gz JUVFKBNBEXEXIR-UHFFFAOYSA-N 1 0 300.427 3.239 10 0 DGAERO c1csc(-c2ncc(CN3CC[N@@H+]4CCC[C@@H]4C3)s2)c1 ZINC000179548907 432062062 /nfs/dbraw/zinc/06/20/62/432062062.db2.gz YREWTKHDKAETSL-GFCCVEGCSA-N 1 0 305.472 3.152 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000237165892 202174144 /nfs/dbraw/zinc/17/41/44/202174144.db2.gz XIOLFUYYLMYECV-RTBURBONSA-N 1 0 308.425 3.154 10 0 DGAERO CCc1noc([C@H](C)N2CC[NH+](C[C@@H]3CCC[C@H](C)C3)CC2)n1 ZINC000133392735 432063050 /nfs/dbraw/zinc/06/30/50/432063050.db2.gz IMAAOKBYLQOBLV-HRCADAONSA-N 1 0 320.481 3.137 10 0 DGAERO CN(C(=O)CCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237205241 202189024 /nfs/dbraw/zinc/18/90/24/202189024.db2.gz JJDDUHRUXGPGTD-XYPWUTKMSA-N 1 0 306.837 3.014 10 0 DGAERO CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179625281 432064388 /nfs/dbraw/zinc/06/43/88/432064388.db2.gz XEGZNKHWHYMTCA-LLVKDONJSA-N 1 0 303.372 3.319 10 0 DGAERO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCc2cccnc2)CC1 ZINC000179631483 432065372 /nfs/dbraw/zinc/06/53/72/432065372.db2.gz SEJNYAAGOCUQNE-INIZCTEOSA-N 1 0 313.420 3.142 10 0 DGAERO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(Cl)cc1F ZINC000133521324 432065868 /nfs/dbraw/zinc/06/58/68/432065868.db2.gz PFYMFVDDFHOGOA-XHDPSFHLSA-N 1 0 312.816 3.246 10 0 DGAERO CCC(CC)[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000179791345 432071283 /nfs/dbraw/zinc/07/12/83/432071283.db2.gz OFUOBLPRLXLKAT-RHSMWYFYSA-N 1 0 311.491 3.434 10 0 DGAERO Cc1cc(Cl)cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000134028138 432073046 /nfs/dbraw/zinc/07/30/46/432073046.db2.gz NFFNCMXMNAHNBL-CJNGLKHVSA-N 1 0 306.837 3.253 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1Cl ZINC000179330385 199016806 /nfs/dbraw/zinc/01/68/06/199016806.db2.gz IYDPNDAYJOJDRR-ZDUSSCGKSA-N 1 0 305.809 3.072 10 0 DGAERO COc1ccccc1N1CCC([NH2+][C@@H](C)c2nccs2)CC1 ZINC000179417282 199032060 /nfs/dbraw/zinc/03/20/60/199032060.db2.gz NDVDPFCKNHHVNY-ZDUSSCGKSA-N 1 0 317.458 3.471 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc2cnn(C(C)C)c2c1)[NH+](C)C ZINC000179507930 199047930 /nfs/dbraw/zinc/04/79/30/199047930.db2.gz KNQWFFFALRRLMP-OAHLLOKOSA-N 1 0 302.422 3.286 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccccc2)cn1 ZINC000180053266 199112505 /nfs/dbraw/zinc/11/25/05/199112505.db2.gz DQUJAICEJGMGNI-SFHVURJKSA-N 1 0 321.428 3.158 10 0 DGAERO Cc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CC2 ZINC000180085475 199115579 /nfs/dbraw/zinc/11/55/79/199115579.db2.gz QQAARYGWJRZFER-WBVHZDCISA-N 1 0 316.836 3.296 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000180107461 199118030 /nfs/dbraw/zinc/11/80/30/199118030.db2.gz RKGJOLJBQHOZHY-PANBIXPWSA-N 1 0 314.473 3.339 10 0 DGAERO OCC1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCOCC1 ZINC000180198592 199129391 /nfs/dbraw/zinc/12/93/91/199129391.db2.gz UZVCNPZNYQRWTI-INIZCTEOSA-N 1 0 309.837 3.170 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1F ZINC000180156657 199123825 /nfs/dbraw/zinc/12/38/25/199123825.db2.gz CTEFTKPYYNBXHJ-YOEHRIQHSA-N 1 0 314.408 3.325 10 0 DGAERO Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000180159864 199124735 /nfs/dbraw/zinc/12/47/35/199124735.db2.gz IHWXWIALKYLMBZ-UYAOXDASSA-N 1 0 308.425 3.099 10 0 DGAERO Cc1cc(F)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180168466 199125625 /nfs/dbraw/zinc/12/56/25/199125625.db2.gz GSFSAQRCNCOEBB-ZWKOTPCHSA-N 1 0 312.388 3.309 10 0 DGAERO Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000393352039 293830555 /nfs/dbraw/zinc/83/05/55/293830555.db2.gz YIKGFELFFMGCHF-VXGBXAGGSA-N 1 0 312.255 3.241 10 0 DGAERO Cc1cc(C)c(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000180255550 199137361 /nfs/dbraw/zinc/13/73/61/199137361.db2.gz WTKOYXUXLBUCNG-SJORKVTESA-N 1 0 302.462 3.095 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000237288296 202218801 /nfs/dbraw/zinc/21/88/01/202218801.db2.gz OTMXAHDRSZEVCU-WFASDCNBSA-N 1 0 316.376 3.102 10 0 DGAERO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180487916 199164778 /nfs/dbraw/zinc/16/47/78/199164778.db2.gz IBFGPCKGPBRSIA-GOEBONIOSA-N 1 0 308.491 3.168 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH]c(-c2ccccc2)n1 ZINC000180514861 199169535 /nfs/dbraw/zinc/16/95/35/199169535.db2.gz YZGYFONTSFAFJS-MSOLQXFVSA-N 1 0 310.445 3.135 10 0 DGAERO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000180015812 432076747 /nfs/dbraw/zinc/07/67/47/432076747.db2.gz XATIZIOQIKVARM-RHSMWYFYSA-N 1 0 310.445 3.011 10 0 DGAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(O)c(OC)c2)C12CCC2 ZINC000180094124 432078544 /nfs/dbraw/zinc/07/85/44/432078544.db2.gz ZCZSUQDUPNUYIQ-SJORKVTESA-N 1 0 305.418 3.180 10 0 DGAERO COCc1ccccc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186147316 199920749 /nfs/dbraw/zinc/92/07/49/199920749.db2.gz DLCJDCVCWWMTBR-OAHLLOKOSA-N 1 0 319.449 3.219 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000089444949 192792015 /nfs/dbraw/zinc/79/20/15/192792015.db2.gz GLIMOSWGRMELRZ-CQSZACIVSA-N 1 0 317.433 3.194 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186776395 200008342 /nfs/dbraw/zinc/00/83/42/200008342.db2.gz FRESYHWUMQDKBE-NOZJJQNGSA-N 1 0 306.793 3.122 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccccc1Oc1ccccc1 ZINC000186836781 200018684 /nfs/dbraw/zinc/01/86/84/200018684.db2.gz JGNMTTJONSYFJC-PBHICJAKSA-N 1 0 310.397 3.207 10 0 DGAERO FC(F)(F)COc1ccc(CC[NH2+][C@@H]2CCCSC2)cn1 ZINC000186750395 200003478 /nfs/dbraw/zinc/00/34/78/200003478.db2.gz XOFKKWRWCVMLJQ-GFCCVEGCSA-N 1 0 320.380 3.050 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)C)c(OCC[NH+](C)C)c1 ZINC000186879934 200026114 /nfs/dbraw/zinc/02/61/14/200026114.db2.gz YQJDQFXDKCXNMN-LSDHHAIUSA-N 1 0 304.434 3.166 10 0 DGAERO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)oc2c1c(C)ccc2C ZINC000170855552 432084586 /nfs/dbraw/zinc/08/45/86/432084586.db2.gz YEGFNYGTZYVSRC-CQSZACIVSA-N 1 0 300.402 3.134 10 0 DGAERO Cc1ccc(CC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000187242514 200082334 /nfs/dbraw/zinc/08/23/34/200082334.db2.gz YXVHXHWLILMYCZ-RDTXWAMCSA-N 1 0 316.470 3.407 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000187687840 200144914 /nfs/dbraw/zinc/14/49/14/200144914.db2.gz HJAVTUHYSDYUMY-IUODEOHRSA-N 1 0 302.422 3.380 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000188051326 200186042 /nfs/dbraw/zinc/18/60/42/200186042.db2.gz PBUSPMUYDIDTLR-UONOGXRCSA-N 1 0 322.399 3.011 10 0 DGAERO CC1(C)C[C@H]([NH2+]CC[C@H]2c3ccccc3NC2=O)C(C)(C)O1 ZINC000180388960 432085423 /nfs/dbraw/zinc/08/54/23/432085423.db2.gz JIYJYHMYCRVLJB-ZFWWWQNUSA-N 1 0 302.418 3.048 10 0 DGAERO Cc1c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cccc1OCC(F)(F)F ZINC000237631496 202310881 /nfs/dbraw/zinc/31/08/81/202310881.db2.gz IZFGCOJZMVPMHB-WDEREUQCSA-N 1 0 316.323 3.002 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)o1 ZINC000281096619 216076576 /nfs/dbraw/zinc/07/65/76/216076576.db2.gz VPRMHEHDLZHVTL-CHWSQXEVSA-N 1 0 308.422 3.494 10 0 DGAERO Cc1cccc(OC(F)F)c1NC(=O)CCCCCC[NH3+] ZINC000237667821 202324067 /nfs/dbraw/zinc/32/40/67/202324067.db2.gz MSNHKLUECHXUTO-UHFFFAOYSA-N 1 0 300.349 3.444 10 0 DGAERO Cc1ccc(-c2csc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)n2)cc1C ZINC000237743298 202343442 /nfs/dbraw/zinc/34/34/42/202343442.db2.gz LAZMXZFTDOAHLO-UONOGXRCSA-N 1 0 315.442 3.493 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(-c2cccs2)cc1 ZINC000180488729 432087798 /nfs/dbraw/zinc/08/77/98/432087798.db2.gz QHJWSRDBCFESBI-WMLDXEAASA-N 1 0 316.470 3.396 10 0 DGAERO CC[NH+](CC)CCCCNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000189206940 200363871 /nfs/dbraw/zinc/36/38/71/200363871.db2.gz XNBSPYPOOPUEFP-UHFFFAOYSA-N 1 0 317.433 3.028 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCc3ccccc3C2)o1 ZINC000189190114 200361830 /nfs/dbraw/zinc/36/18/30/200361830.db2.gz KEYICABEOSYAJP-HNNXBMFYSA-N 1 0 312.413 3.214 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)CC[C@H]1C ZINC000189348113 200385980 /nfs/dbraw/zinc/38/59/80/200385980.db2.gz VIOBMFITTNWDLY-CJNGLKHVSA-N 1 0 322.474 3.317 10 0 DGAERO Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000134879638 432088425 /nfs/dbraw/zinc/08/84/25/432088425.db2.gz JHHQKZZOBHDBCL-YJBOKZPZSA-N 1 0 323.440 3.091 10 0 DGAERO c1ccc(-c2ccc(CN3CC[C@@H]([NH+]4CCCCC4)C3)cn2)nc1 ZINC000425398858 237941529 /nfs/dbraw/zinc/94/15/29/237941529.db2.gz CRMDETQRWFIMJI-GOSISDBHSA-N 1 0 322.456 3.204 10 0 DGAERO c1ccc(CN2CCSC[C@H]2C[NH2+][C@H]2CCCSC2)cc1 ZINC000428534459 238024565 /nfs/dbraw/zinc/02/45/65/238024565.db2.gz KDYNLPNDJGFLSW-DLBZAZTESA-N 1 0 322.543 3.089 10 0 DGAERO Cc1cccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1Cl ZINC000246060165 432091706 /nfs/dbraw/zinc/09/17/06/432091706.db2.gz AZDPJXMHDXLMBS-CHWSQXEVSA-N 1 0 307.825 3.349 10 0 DGAERO C[C@@H](CNC(=O)C[C@@H]1CCCc2ccccc21)[N@H+](C)C1CC1 ZINC000170981084 432091745 /nfs/dbraw/zinc/09/17/45/432091745.db2.gz HGWWHUABIMMZMF-HOCLYGCPSA-N 1 0 300.446 3.096 10 0 DGAERO c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449677801 240363685 /nfs/dbraw/zinc/36/36/85/240363685.db2.gz CMKPREYSDBEZPC-IBGZPJMESA-N 1 0 301.430 3.478 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccc(C)cc1)C1CC1)CC2 ZINC000180633217 432092551 /nfs/dbraw/zinc/09/25/51/432092551.db2.gz QRIUOSRLDFXICU-QZTJIDSGSA-N 1 0 324.472 3.075 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3coc4ccccc34)[C@H]2C1 ZINC000246083041 432092395 /nfs/dbraw/zinc/09/23/95/432092395.db2.gz IASSYSOZXYGVMX-HFTRVMKXSA-N 1 0 301.386 3.201 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(CC)nn3C2)s1 ZINC000180626214 432092414 /nfs/dbraw/zinc/09/24/14/432092414.db2.gz DTNZMACOUXJXJL-NEPJUHHUSA-N 1 0 304.463 3.130 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1cc(F)ccc1F)CC2 ZINC000180615898 432092747 /nfs/dbraw/zinc/09/27/47/432092747.db2.gz IPWKRELIUXVLDN-DOMZBBRYSA-N 1 0 320.387 3.174 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)o2)n[nH]1 ZINC000434988001 238260524 /nfs/dbraw/zinc/26/05/24/238260524.db2.gz XIDXGZACUCHBLL-MRXNPFEDSA-N 1 0 301.390 3.061 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)s1 ZINC000191772974 200760861 /nfs/dbraw/zinc/76/08/61/200760861.db2.gz RWMOVCXLBRJVES-INIZCTEOSA-N 1 0 318.417 3.086 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435126022 238277681 /nfs/dbraw/zinc/27/76/81/238277681.db2.gz ZWASINAYBUNGKA-CYBMUJFWSA-N 1 0 311.385 3.438 10 0 DGAERO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)C1CCC1 ZINC000246583931 299317477 /nfs/dbraw/zinc/31/74/77/299317477.db2.gz YVEHLMBWASBWDT-IJEWVQPXSA-N 1 0 308.491 3.288 10 0 DGAERO CC[NH+]1CCN(c2cccc(N[C@H]3CCCSC3)c2)CC1 ZINC000191884645 200773588 /nfs/dbraw/zinc/77/35/88/200773588.db2.gz OEPOZGISIJJTFZ-INIZCTEOSA-N 1 0 305.491 3.136 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(F)cccc2F)[C@@H](C)C1 ZINC000246088356 432093714 /nfs/dbraw/zinc/09/37/14/432093714.db2.gz UWNGYDRIWWGUNF-FZMZJTMJSA-N 1 0 311.376 3.159 10 0 DGAERO C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1n1ccnc1 ZINC000246081435 432093902 /nfs/dbraw/zinc/09/39/02/432093902.db2.gz HWWRGSNFNQNUMK-HNAYVOBHSA-N 1 0 321.428 3.356 10 0 DGAERO CCn1cc(C[NH2+]Cc2ccc(Br)c(F)c2)cn1 ZINC000271897489 209307017 /nfs/dbraw/zinc/30/70/17/209307017.db2.gz UOVWYUZLSHFKHG-UHFFFAOYSA-N 1 0 312.186 3.094 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000192129815 200824878 /nfs/dbraw/zinc/82/48/78/200824878.db2.gz YCGMCJIVKVERCE-NOZJJQNGSA-N 1 0 302.187 3.103 10 0 DGAERO CC(C)COC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000054325830 283613890 /nfs/dbraw/zinc/61/38/90/283613890.db2.gz USNPAKBUNNXHFJ-UHFFFAOYSA-N 1 0 322.424 3.291 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000054322525 283612797 /nfs/dbraw/zinc/61/27/97/283612797.db2.gz DNXPNJQTLRNGLO-JZXOWHBKSA-N 1 0 324.509 3.207 10 0 DGAERO c1cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)n(-c2ccccc2)n1 ZINC000292837754 223267945 /nfs/dbraw/zinc/26/79/45/223267945.db2.gz RWPGEEGSZYFBJL-QGZVFWFLSA-N 1 0 311.429 3.121 10 0 DGAERO Cc1oc2nc(C[N@@H+](CC3CCC3)C(C)C)nc(N)c2c1C ZINC000193201388 201005781 /nfs/dbraw/zinc/00/57/81/201005781.db2.gz MBFFGJDNMLAORX-UHFFFAOYSA-N 1 0 302.422 3.432 10 0 DGAERO Cc1nc(NC(=O)CC[C@@H](C)[NH3+])sc1Cc1ccc(C)cc1 ZINC000193207192 201006691 /nfs/dbraw/zinc/00/66/91/201006691.db2.gz UTZBRWUWCQWFIB-GFCCVEGCSA-N 1 0 317.458 3.417 10 0 DGAERO C[C@H]([NH3+])CCC(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000193217135 201007888 /nfs/dbraw/zinc/00/78/88/201007888.db2.gz QPEYKBFWSGZMMT-ZDUSSCGKSA-N 1 0 308.853 3.395 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000193249203 201012625 /nfs/dbraw/zinc/01/26/25/201012625.db2.gz AAFLCWKOIMISFL-CQSZACIVSA-N 1 0 306.475 3.335 10 0 DGAERO CC(C)c1csc([C@H]2CCCN(C(=O)CC[C@@H](C)[NH3+])C2)n1 ZINC000193319121 201028214 /nfs/dbraw/zinc/02/82/14/201028214.db2.gz JHNNSSBMLOHIFI-OLZOCXBDSA-N 1 0 309.479 3.100 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccccc2Cl)o1 ZINC000193602045 201084019 /nfs/dbraw/zinc/08/40/19/201084019.db2.gz AVVGWTCCNQVOKZ-ZFWWWQNUSA-N 1 0 323.820 3.470 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)o1 ZINC000193602131 201084748 /nfs/dbraw/zinc/08/47/48/201084748.db2.gz ZXPDJKYCQOJEGY-XJKSGUPXSA-N 1 0 323.820 3.470 10 0 DGAERO CC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)CCCC(=O)N3)[C@@H](C)C1 ZINC000246121123 432096758 /nfs/dbraw/zinc/09/67/58/432096758.db2.gz PTCHMXQPIBWJRB-XJKSGUPXSA-N 1 0 301.434 3.104 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1Cl ZINC000193732395 201113482 /nfs/dbraw/zinc/11/34/82/201113482.db2.gz QYICAZCPBGJBLK-HNNXBMFYSA-N 1 0 316.836 3.197 10 0 DGAERO CC[NH+](CC)CCCNCc1ccc(Br)c(F)c1 ZINC000135056071 432097238 /nfs/dbraw/zinc/09/72/38/432097238.db2.gz CECCUMDDPXTIGP-UHFFFAOYSA-N 1 0 317.246 3.410 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000281493524 216339486 /nfs/dbraw/zinc/33/94/86/216339486.db2.gz QQLVJQDIGYNQFN-JOYOIKCWSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2cc(Br)cs2)n1 ZINC000194091723 201176937 /nfs/dbraw/zinc/17/69/37/201176937.db2.gz AUEMAUMRJVYRSQ-ZETCQYMHSA-N 1 0 316.224 3.095 10 0 DGAERO C[N@H+](Cc1sccc1Cl)[C@H]1CCCN(c2cccnn2)C1 ZINC000194382850 201214540 /nfs/dbraw/zinc/21/45/40/201214540.db2.gz KJKFZHZCXLAJLP-LBPRGKRZSA-N 1 0 322.865 3.292 10 0 DGAERO C[NH+](C)C[C@@H]1CCN(CCc2cc(Cl)cc(Cl)c2)C1 ZINC000194514975 201242355 /nfs/dbraw/zinc/24/23/55/201242355.db2.gz SFWBSBVTDDAKPZ-ZDUSSCGKSA-N 1 0 301.261 3.419 10 0 DGAERO Brc1ccc(N2CC[NH+]([C@H]3C=CCCC3)CC2)nc1 ZINC000066494172 283691271 /nfs/dbraw/zinc/69/12/71/283691271.db2.gz UBCVMNPZVGIXBI-AWEZNQCLSA-N 1 0 322.250 3.075 10 0 DGAERO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000246125303 432097966 /nfs/dbraw/zinc/09/79/66/432097966.db2.gz ATVGHHYWXBYALG-CHWSQXEVSA-N 1 0 308.388 3.295 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000441290574 239030688 /nfs/dbraw/zinc/03/06/88/239030688.db2.gz YPUUAULRTCZYAA-WOJBJXKFSA-N 1 0 317.473 3.384 10 0 DGAERO C[N@H+](CCc1cc(Cl)cc(Cl)c1)C1(CO)CCOCC1 ZINC000194837932 201298335 /nfs/dbraw/zinc/29/83/35/201298335.db2.gz NBFZUXWPWDRNMU-UHFFFAOYSA-N 1 0 318.244 3.009 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)ccc1Cl ZINC000246126461 432099147 /nfs/dbraw/zinc/09/91/47/432099147.db2.gz KPOAOSVKFGEJDD-PWSUYJOCSA-N 1 0 311.788 3.180 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C(=O)c1ccccc1 ZINC000194927418 201313710 /nfs/dbraw/zinc/31/37/10/201313710.db2.gz QEQDUTQSRCCWOU-UHFFFAOYSA-N 1 0 308.381 3.104 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000171075967 432099614 /nfs/dbraw/zinc/09/96/14/432099614.db2.gz BYIVQPWHKSCDHU-OAHLLOKOSA-N 1 0 317.433 3.176 10 0 DGAERO Cc1ccc(NC(=O)[C@H](C)N(C)C[C@H]2CCCO2)c(Cl)c1 ZINC000246143386 432099744 /nfs/dbraw/zinc/09/97/44/432099744.db2.gz RQIJFZBDZASHQZ-QWHCGFSZSA-N 1 0 310.825 3.086 10 0 DGAERO ClC(Cl)(Cl)CC[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186823869 294099752 /nfs/dbraw/zinc/09/97/52/294099752.db2.gz UNLBIRRMSMGAON-UHFFFAOYSA-N 1 0 318.697 3.345 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1cccc(OC(C)C)c1 ZINC000068894631 283722202 /nfs/dbraw/zinc/72/22/02/283722202.db2.gz FYXUGNPXRHOIHN-KRWDZBQOSA-N 1 0 320.477 3.109 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)COCc1ccc(OC)cc1 ZINC000246153259 432100540 /nfs/dbraw/zinc/10/05/40/432100540.db2.gz GHDSBDFMDMQPDD-ZWKOTPCHSA-N 1 0 321.461 3.227 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000246150589 432100879 /nfs/dbraw/zinc/10/08/79/432100879.db2.gz FRYOZBBLKOTJHG-KGLIPLIRSA-N 1 0 320.399 3.442 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)CC(C)(C)C1 ZINC000246145749 432101057 /nfs/dbraw/zinc/10/10/57/432101057.db2.gz KRXSMQJDSCFMMY-PMPSAXMXSA-N 1 0 302.466 3.250 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)C1 ZINC000246547813 202600017 /nfs/dbraw/zinc/60/00/17/202600017.db2.gz SVOQIZQQXSPBCG-BZPMIXESSA-N 1 0 315.442 3.087 10 0 DGAERO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000449382145 240165431 /nfs/dbraw/zinc/16/54/31/240165431.db2.gz UZONNMBQHYHMMX-JTQLQIEISA-N 1 0 317.311 3.117 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449398265 240173160 /nfs/dbraw/zinc/17/31/60/240173160.db2.gz UFCYSECBCUXJDW-XOVFHRFOSA-N 1 0 322.880 3.180 10 0 DGAERO Cc1nc(C[NH2+][C@@H](C)[C@H]2CCCOC2)sc1Br ZINC000449401918 240176445 /nfs/dbraw/zinc/17/64/45/240176445.db2.gz OSQNERBDVHCFPS-WPRPVWTQSA-N 1 0 319.268 3.119 10 0 DGAERO Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000075407572 283820111 /nfs/dbraw/zinc/82/01/11/283820111.db2.gz DZBHPKFNGRJWGB-AWEZNQCLSA-N 1 0 303.431 3.481 10 0 DGAERO COC[C@H](C[NH2+]Cc1c(C)nn(C)c1C)c1ccc(Cl)cc1 ZINC000449473403 240228791 /nfs/dbraw/zinc/22/87/91/240228791.db2.gz BUXCMFXRCADBJG-HNNXBMFYSA-N 1 0 321.852 3.210 10 0 DGAERO C[C@H](CC1CCCC1)[NH2+]Cc1nn(C)cc1Br ZINC000449484190 240235558 /nfs/dbraw/zinc/23/55/58/240235558.db2.gz LMTBKOHHVRDZMB-SNVBAGLBSA-N 1 0 300.244 3.241 10 0 DGAERO CCO[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000449490557 240240082 /nfs/dbraw/zinc/24/00/82/240240082.db2.gz CHFQAGXGFINPJA-SUMWQHHRSA-N 1 0 300.402 3.187 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCSC4)C3)o2)n[nH]1 ZINC000449729589 240387145 /nfs/dbraw/zinc/38/71/45/240387145.db2.gz AUWGJVDWNNCXTN-MRXNPFEDSA-N 1 0 303.431 3.389 10 0 DGAERO C[C@@H](c1nc(-c2cccs2)no1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246186942 432106190 /nfs/dbraw/zinc/10/61/90/432106190.db2.gz LQODVTQEWLLFFT-STQMWFEESA-N 1 0 318.446 3.029 10 0 DGAERO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449996464 240517455 /nfs/dbraw/zinc/51/74/55/240517455.db2.gz APXWRWIYIUCUBF-KZNAEPCWSA-N 1 0 300.446 3.013 10 0 DGAERO Cn1nccc1C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000091284373 193030149 /nfs/dbraw/zinc/03/01/49/193030149.db2.gz YZDCAXOSPWTUGQ-OAHLLOKOSA-N 1 0 320.234 3.424 10 0 DGAERO CCC(C)(CC)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000091233501 193023874 /nfs/dbraw/zinc/02/38/74/193023874.db2.gz JGWUVQDWWSKTAX-UHFFFAOYSA-N 1 0 318.465 3.176 10 0 DGAERO [NH3+]C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000091356269 193045785 /nfs/dbraw/zinc/04/57/85/193045785.db2.gz IYYWEBWZYKRZEU-UHFFFAOYSA-N 1 0 324.403 3.151 10 0 DGAERO c1ccc([C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000091374855 193047653 /nfs/dbraw/zinc/04/76/53/193047653.db2.gz ASFQAXLVHVXSMK-PKOBYXMFSA-N 1 0 308.429 3.186 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)o1 ZINC000189937222 432106704 /nfs/dbraw/zinc/10/67/04/432106704.db2.gz HBCVTSNCQYRCGW-SECBINFHSA-N 1 0 301.255 3.453 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091539342 193070860 /nfs/dbraw/zinc/07/08/60/193070860.db2.gz HQZQRPRRYFQCSS-MWLCHTKSSA-N 1 0 301.217 3.079 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000091539263 193071118 /nfs/dbraw/zinc/07/11/18/193071118.db2.gz FKJXUUIOOOIDNW-GAFUQQFSSA-N 1 0 300.324 3.010 10 0 DGAERO C[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCO1 ZINC000457537259 291350899 /nfs/dbraw/zinc/35/08/99/291350899.db2.gz WEIONQZHZUJTSK-IEBWSBKVSA-N 1 0 322.493 3.060 10 0 DGAERO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000091629462 193081791 /nfs/dbraw/zinc/08/17/91/193081791.db2.gz UPCJVKUJKCTMAH-GFCCVEGCSA-N 1 0 318.371 3.271 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cc(Cl)sc1Cl ZINC000282464152 299360275 /nfs/dbraw/zinc/36/02/75/299360275.db2.gz VVXWMKCFPVALID-ACLDMZEESA-N 1 0 307.246 3.373 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC000171146992 432107537 /nfs/dbraw/zinc/10/75/37/432107537.db2.gz WWYFNXPBJCCFPA-HNNXBMFYSA-N 1 0 315.417 3.409 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000079254322 283876695 /nfs/dbraw/zinc/87/66/95/283876695.db2.gz JXSLFUDSNUNSSJ-CQSZACIVSA-N 1 0 321.440 3.230 10 0 DGAERO CC(C)[C@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451292980 241072972 /nfs/dbraw/zinc/07/29/72/241072972.db2.gz FVNLCLUBLWELNQ-LLVKDONJSA-N 1 0 322.396 3.358 10 0 DGAERO CN(CC1CC1)C(=O)C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451358389 241094007 /nfs/dbraw/zinc/09/40/07/241094007.db2.gz UVUTVLFGHONMCA-QGZVFWFLSA-N 1 0 324.827 3.388 10 0 DGAERO Cc1c(Cl)c(CN2CC[N@@H+]3CCC[C@H]3C2)nc2ccccc12 ZINC000246221714 432108469 /nfs/dbraw/zinc/10/84/69/432108469.db2.gz BJARLRLFRRIWRU-AWEZNQCLSA-N 1 0 315.848 3.477 10 0 DGAERO COCC[C@H]([NH2+]C[C@H](O)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000451697466 241210785 /nfs/dbraw/zinc/21/07/85/241210785.db2.gz WGTDLHSVTIOBCF-GJZGRUSLSA-N 1 0 319.367 3.390 10 0 DGAERO Fc1ccccc1-n1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)n1 ZINC000451914251 241275737 /nfs/dbraw/zinc/27/57/37/241275737.db2.gz ZDXIFEWYPLYWEK-SFHVURJKSA-N 1 0 315.392 3.014 10 0 DGAERO c1nc(C[NH2+]C2(Cc3ccccc3)CCOCC2)oc1C1CC1 ZINC000451944430 241281699 /nfs/dbraw/zinc/28/16/99/241281699.db2.gz ZKXWCCXBVHCRKJ-UHFFFAOYSA-N 1 0 312.413 3.434 10 0 DGAERO CCC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)C1CCC1 ZINC000453065649 241608870 /nfs/dbraw/zinc/60/88/70/241608870.db2.gz UMJNONAOVVBIGS-KRWDZBQOSA-N 1 0 309.475 3.290 10 0 DGAERO CCN(CCC[NH2+][C@@H](C)C1(OC)CCOCC1)c1ccccc1 ZINC000453082086 241617059 /nfs/dbraw/zinc/61/70/59/241617059.db2.gz KTOXDAFHUCDGQU-KRWDZBQOSA-N 1 0 320.477 3.077 10 0 DGAERO COC1([C@H](C)[NH2+]CCc2ccc(Cl)s2)CCOCC1 ZINC000453096415 241622794 /nfs/dbraw/zinc/62/27/94/241622794.db2.gz UXJGMTMSCQSITN-NSHDSACASA-N 1 0 303.855 3.118 10 0 DGAERO CC(C)[C@@H](Cn1cccn1)[NH2+]CCOCc1ccc(Cl)cc1 ZINC000453167959 241654688 /nfs/dbraw/zinc/65/46/88/241654688.db2.gz JMCLBPNEIVFEJP-QGZVFWFLSA-N 1 0 321.852 3.368 10 0 DGAERO COCc1cccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)c1 ZINC000246228990 432111024 /nfs/dbraw/zinc/11/10/24/432111024.db2.gz QZNHZKUCGDIESZ-KSZLIROESA-N 1 0 317.429 3.139 10 0 DGAERO Cc1cccc([C@@H](C)[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c1 ZINC000246257379 432111668 /nfs/dbraw/zinc/11/16/68/432111668.db2.gz AMASQFNSCCIHPR-UYAOXDASSA-N 1 0 315.505 3.158 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3ncsc3c2)C1 ZINC000246271600 432113414 /nfs/dbraw/zinc/11/34/14/432113414.db2.gz ANHVUNUHALLZGQ-BXUZGUMPSA-N 1 0 318.446 3.147 10 0 DGAERO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC ZINC000190016429 432113105 /nfs/dbraw/zinc/11/31/05/432113105.db2.gz LKWTTYXHVGTQCM-ZBFHGGJFSA-N 1 0 322.474 3.288 10 0 DGAERO C[N@H+](CCCCNC(=O)N1CCC2(C1)CCCCC2)C1CC1 ZINC000455619424 242250883 /nfs/dbraw/zinc/25/08/83/242250883.db2.gz RMMRQQRRIBKZNX-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3coc4ccccc34)[C@@H]2C1 ZINC000092095712 193156209 /nfs/dbraw/zinc/15/62/09/193156209.db2.gz IASSYSOZXYGVMX-QGPMSJSTSA-N 1 0 301.386 3.201 10 0 DGAERO NC(=O)c1csc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000092121479 193165125 /nfs/dbraw/zinc/16/51/25/193165125.db2.gz SGIOQUXTVABSAC-HNNXBMFYSA-N 1 0 318.417 3.193 10 0 DGAERO OC1CC(C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000091524484 284001040 /nfs/dbraw/zinc/00/10/40/284001040.db2.gz VHNCXZKLEZCEQI-UHFFFAOYSA-N 1 0 310.235 3.056 10 0 DGAERO Cc1cccc(CCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000181124951 432115584 /nfs/dbraw/zinc/11/55/84/432115584.db2.gz LGBDSAWVVAHLML-HXUWFJFHSA-N 1 0 316.489 3.114 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000246274488 432115633 /nfs/dbraw/zinc/11/56/33/432115633.db2.gz AVTFKRJOACOROF-CXAGYDPISA-N 1 0 301.434 3.026 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3ccccc3cc2O)C1 ZINC000246284335 432115719 /nfs/dbraw/zinc/11/57/19/432115719.db2.gz MTLXGUDMXDBWEX-WMZOPIPTSA-N 1 0 324.424 3.102 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccc(F)cc1 ZINC000103069991 284026013 /nfs/dbraw/zinc/02/60/13/284026013.db2.gz GXXWKGSBQIDRJS-CQSZACIVSA-N 1 0 306.425 3.094 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458291834 243021341 /nfs/dbraw/zinc/02/13/41/243021341.db2.gz SMRNUKYKFYYYGY-UHFFFAOYSA-N 1 0 304.434 3.391 10 0 DGAERO CC[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000105088003 284038225 /nfs/dbraw/zinc/03/82/25/284038225.db2.gz CBPJLVQLSSDAAK-FUHWJXTLSA-N 1 0 315.461 3.060 10 0 DGAERO Cn1c(C[N@@H+]2CC[C@H](c3ccccc3)C2)nnc1-c1ccccc1 ZINC000107299946 284053490 /nfs/dbraw/zinc/05/34/90/284053490.db2.gz YGPTWQZTJTUAQK-SFHVURJKSA-N 1 0 318.424 3.472 10 0 DGAERO CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000109151319 284065436 /nfs/dbraw/zinc/06/54/36/284065436.db2.gz MFTOSTJJZOBKQS-RBSFLKMASA-N 1 0 324.415 3.161 10 0 DGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109124357 284065468 /nfs/dbraw/zinc/06/54/68/284065468.db2.gz HHWFEJGZRNZSLP-ZNMIVQPWSA-N 1 0 322.399 3.011 10 0 DGAERO CCC[N@H+](Cc1cnnn1CC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000459349640 243344437 /nfs/dbraw/zinc/34/44/37/243344437.db2.gz XWTGOZQDCKCNHP-SJORKVTESA-N 1 0 320.481 3.248 10 0 DGAERO CCn1nncc1CN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000459484480 243387142 /nfs/dbraw/zinc/38/71/42/243387142.db2.gz CYVDCMTYHGRHHU-HNNXBMFYSA-N 1 0 322.865 3.318 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](OC)C2)[C@H]1Sc1ccccc1 ZINC000459495744 243390463 /nfs/dbraw/zinc/39/04/63/243390463.db2.gz MVEXDSDBQRRMFG-GCDKYVQMSA-N 1 0 321.486 3.482 10 0 DGAERO Cc1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000459426091 243365310 /nfs/dbraw/zinc/36/53/10/243365310.db2.gz ICHGUJBMCPIZNY-CZUORRHYSA-N 1 0 305.447 3.217 10 0 DGAERO CCn1nncc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000459428898 243367212 /nfs/dbraw/zinc/36/72/12/243367212.db2.gz OUFHDEHCCTZADQ-OTWHNJEPSA-N 1 0 310.445 3.456 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(n2ccnc2)CC1 ZINC000109796509 284070148 /nfs/dbraw/zinc/07/01/48/284070148.db2.gz DQWKIRWURLLHHB-AWEZNQCLSA-N 1 0 323.400 3.331 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1F ZINC000110991770 284074476 /nfs/dbraw/zinc/07/44/76/284074476.db2.gz FTBHXCHVUFZKPV-CQSZACIVSA-N 1 0 306.425 3.094 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1ccccc1F ZINC000110991774 284074597 /nfs/dbraw/zinc/07/45/97/284074597.db2.gz FTBHXCHVUFZKPV-AWEZNQCLSA-N 1 0 306.425 3.094 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc[nH]1 ZINC000095089190 296129014 /nfs/dbraw/zinc/12/90/14/296129014.db2.gz SMYYTWKKJXETNC-KGLIPLIRSA-N 1 0 307.438 3.455 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)c1cccs1 ZINC000115343637 284113369 /nfs/dbraw/zinc/11/33/69/284113369.db2.gz XPVIFYGVKJWWCE-UONOGXRCSA-N 1 0 308.491 3.262 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc3ccn(C)c32)[C@@H](C)C1 ZINC000190069893 432119182 /nfs/dbraw/zinc/11/91/82/432119182.db2.gz SJUZOFNFSHQTRM-BBRMVZONSA-N 1 0 314.433 3.029 10 0 DGAERO CCCCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000468403967 244038204 /nfs/dbraw/zinc/03/82/04/244038204.db2.gz TTZBIAVZQQUAPR-INIZCTEOSA-N 1 0 305.418 3.251 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000093076521 193201229 /nfs/dbraw/zinc/20/12/29/193201229.db2.gz AGZMXFGPSXWKMO-IBGZPJMESA-N 1 0 315.461 3.364 10 0 DGAERO COc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000470946045 244195438 /nfs/dbraw/zinc/19/54/38/244195438.db2.gz OFPFAWBXWLMZHZ-SMDDNHRTSA-N 1 0 303.324 3.347 10 0 DGAERO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCC23CCC3)cc1 ZINC000471019894 244202039 /nfs/dbraw/zinc/20/20/39/244202039.db2.gz DDLBKOLUNLKDKS-UHFFFAOYSA-N 1 0 300.446 3.097 10 0 DGAERO CO[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000471823269 244254438 /nfs/dbraw/zinc/25/44/38/244254438.db2.gz PYKNMDSWUFFEPH-CABCVRRESA-N 1 0 305.809 3.387 10 0 DGAERO CO[C@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000471823271 244255374 /nfs/dbraw/zinc/25/53/74/244255374.db2.gz PYKNMDSWUFFEPH-GJZGRUSLSA-N 1 0 305.809 3.387 10 0 DGAERO FC(F)COCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000471771658 244243298 /nfs/dbraw/zinc/24/32/98/244243298.db2.gz OBKSOFCVJMVFOD-NSHDSACASA-N 1 0 324.293 3.349 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000471782509 244246936 /nfs/dbraw/zinc/24/69/36/244246936.db2.gz SRNHRGMLXZSIKI-MRVWCRGKSA-N 1 0 302.418 3.134 10 0 DGAERO CC[C@H]1CCCCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119061445 284133303 /nfs/dbraw/zinc/13/33/03/284133303.db2.gz VFLYYYBJARSDEE-JCYILVPMSA-N 1 0 309.498 3.471 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCNC(=O)C(C)(C)C ZINC000119099926 284134353 /nfs/dbraw/zinc/13/43/53/284134353.db2.gz CDNSNFJYMMWOEK-QBFSEMIESA-N 1 0 308.853 3.495 10 0 DGAERO CC[C@@]1(C)CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119134320 284135551 /nfs/dbraw/zinc/13/55/51/284135551.db2.gz XVFKYSWWCIAZAV-HTWSVDAQSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1F ZINC000171281609 432120026 /nfs/dbraw/zinc/12/00/26/432120026.db2.gz YRNJQURWRJJNQF-OAHLLOKOSA-N 1 0 318.436 3.406 10 0 DGAERO c1nc2ccccc2n1CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000474041864 244363612 /nfs/dbraw/zinc/36/36/12/244363612.db2.gz WRTGEVWEWBGSQE-BRWVUGGUSA-N 1 0 313.445 3.221 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000119459241 284143651 /nfs/dbraw/zinc/14/36/51/284143651.db2.gz CBAWRHBZPIRGQD-PINLSGDHSA-N 1 0 304.821 3.096 10 0 DGAERO CCCC[C@@H](COC)[NH2+][C@@H]1CCN(c2ccccc2OC)C1 ZINC000119683003 284148683 /nfs/dbraw/zinc/14/86/83/284148683.db2.gz HCCKYJBNENYDRP-CVEARBPZSA-N 1 0 306.450 3.069 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000119703105 284149244 /nfs/dbraw/zinc/14/92/44/284149244.db2.gz SFRMULWTHXFXBA-RHSMWYFYSA-N 1 0 318.461 3.210 10 0 DGAERO C/C(=C\c1ccccc1)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000093272614 193222429 /nfs/dbraw/zinc/22/24/29/193222429.db2.gz BSGIANFUAZIZAG-BMRADRMJSA-N 1 0 322.456 3.481 10 0 DGAERO Cc1ccc(N2CCC[N@H+](Cc3ccc(C)c(C)c3)CC2)nn1 ZINC000093272066 193222649 /nfs/dbraw/zinc/22/26/49/193222649.db2.gz CPSKLDCNJLMLSH-UHFFFAOYSA-N 1 0 310.445 3.114 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000093437299 193251374 /nfs/dbraw/zinc/25/13/74/193251374.db2.gz OCPAJLJWJKGCRK-WCQYABFASA-N 1 0 314.351 3.096 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(-c2ccccn2)c1 ZINC000093437548 193251536 /nfs/dbraw/zinc/25/15/36/193251536.db2.gz ACGXRGQMZSMVAT-QFBILLFUSA-N 1 0 307.441 3.417 10 0 DGAERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc(Cl)c1OC ZINC000093437438 193252102 /nfs/dbraw/zinc/25/21/02/193252102.db2.gz HTPOBDUNCXWTSS-TZMCWYRMSA-N 1 0 324.852 3.026 10 0 DGAERO COc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc2c1OCCO2 ZINC000093441911 193252627 /nfs/dbraw/zinc/25/26/27/193252627.db2.gz UGFORQYYCWQIJF-GASCZTMLSA-N 1 0 303.402 3.088 10 0 DGAERO COCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000093438432 193253243 /nfs/dbraw/zinc/25/32/43/193253243.db2.gz IFWOSTUFGWEEKI-GOSISDBHSA-N 1 0 315.417 3.162 10 0 DGAERO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)[nH]1 ZINC000093439445 193253414 /nfs/dbraw/zinc/25/34/14/193253414.db2.gz LFIAALPJKRDNJF-GOSISDBHSA-N 1 0 301.434 3.039 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n[nH]1 ZINC000093387321 193242457 /nfs/dbraw/zinc/24/24/57/193242457.db2.gz JHIUSBRMYQPDPY-OAHLLOKOSA-N 1 0 307.401 3.179 10 0 DGAERO CCCn1nc(C)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000093585083 193269652 /nfs/dbraw/zinc/26/96/52/193269652.db2.gz HNXFPEPRNCWFKZ-SJLPKXTDSA-N 1 0 305.466 3.037 10 0 DGAERO CCCn1c2ccccc2nc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644136 193280558 /nfs/dbraw/zinc/28/05/58/193280558.db2.gz QPHJIVNKGODWCW-CVEARBPZSA-N 1 0 314.477 3.361 10 0 DGAERO CCCn1nc(C)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C ZINC000093615028 193275648 /nfs/dbraw/zinc/27/56/48/193275648.db2.gz LOHKPUVTTVYKDU-MSOLQXFVSA-N 1 0 318.509 3.357 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2c(Cl)nc3ccccn32)[C@H](C)C1 ZINC000093638735 193278760 /nfs/dbraw/zinc/27/87/60/193278760.db2.gz KKBJTYUWANNKRZ-KGLIPLIRSA-N 1 0 320.868 3.150 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000093639643 193278969 /nfs/dbraw/zinc/27/89/69/193278969.db2.gz NQIVXNAKJRLAHZ-BDJLRTHQSA-N 1 0 300.368 3.266 10 0 DGAERO O=C([C@H]1C[C@H]1C1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000163407913 296148215 /nfs/dbraw/zinc/14/82/15/296148215.db2.gz QEEVZQYQANEFHM-ROUUACIJSA-N 1 0 304.478 3.290 10 0 DGAERO c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC[C@H]1C1=CCCCC1)CC2 ZINC000246342990 432121865 /nfs/dbraw/zinc/12/18/65/432121865.db2.gz HBPLICGAQCYVLS-IKGGRYGDSA-N 1 0 300.450 3.242 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000246342880 432121837 /nfs/dbraw/zinc/12/18/37/432121837.db2.gz HECKKOUWGZKBKN-JJRVBVJISA-N 1 0 319.449 3.244 10 0 DGAERO Cc1cc(F)ccc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000121814530 284206305 /nfs/dbraw/zinc/20/63/05/284206305.db2.gz NOMLCKSGOBCCOP-QGZVFWFLSA-N 1 0 314.404 3.037 10 0 DGAERO Cn1ncc(Br)c1C[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000487280144 245042816 /nfs/dbraw/zinc/04/28/16/245042816.db2.gz QWLBUUWDTBANOI-AAEUAGOBSA-N 1 0 312.255 3.241 10 0 DGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1OC ZINC000122504762 284220899 /nfs/dbraw/zinc/22/08/99/284220899.db2.gz GMHWPZMFRBVZOC-CHWSQXEVSA-N 1 0 310.413 3.132 10 0 DGAERO CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC)cc2OC)CC1 ZINC000122781317 284225362 /nfs/dbraw/zinc/22/53/62/284225362.db2.gz IZQVWNFJKDNLBU-OAHLLOKOSA-N 1 0 320.477 3.476 10 0 DGAERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)C1CCCCC1 ZINC000177320133 296159726 /nfs/dbraw/zinc/15/97/26/296159726.db2.gz UARRAOCWAWQALZ-CRAIPNDOSA-N 1 0 302.462 3.244 10 0 DGAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000123113439 284232435 /nfs/dbraw/zinc/23/24/35/284232435.db2.gz KRGDJDXXODTUFX-HUUCEWRRSA-N 1 0 308.466 3.331 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000123112821 284232526 /nfs/dbraw/zinc/23/25/26/284232526.db2.gz KRGDJDXXODTUFX-GJZGRUSLSA-N 1 0 308.466 3.331 10 0 DGAERO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H](CO)[C@@H]3C)n2)cc1 ZINC000488791240 245235076 /nfs/dbraw/zinc/23/50/76/245235076.db2.gz YBORUIZNPOODHE-XJKSGUPXSA-N 1 0 315.417 3.063 10 0 DGAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000488807114 245236910 /nfs/dbraw/zinc/23/69/10/245236910.db2.gz OKANBDUTCRJMRD-GHMZBOCLSA-N 1 0 304.217 3.075 10 0 DGAERO COc1cccc([C@@H](C)[N@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000123924279 284249073 /nfs/dbraw/zinc/24/90/73/284249073.db2.gz BYKZEBKTHQZUPE-MRXNPFEDSA-N 1 0 320.477 3.046 10 0 DGAERO Fc1cccnc1O[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000489026670 245264516 /nfs/dbraw/zinc/26/45/16/245264516.db2.gz QFYUEQYGEILHSQ-INIZCTEOSA-N 1 0 300.377 3.307 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1F ZINC000124050934 284251648 /nfs/dbraw/zinc/25/16/48/284251648.db2.gz HEAKTVTZPHVLMY-ZQIUZPCESA-N 1 0 321.440 3.223 10 0 DGAERO O=C(NCC1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000489533856 245319523 /nfs/dbraw/zinc/31/95/23/245319523.db2.gz AFQRPRQCCMGAMB-SFHVURJKSA-N 1 0 321.509 3.474 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC000124292784 284256635 /nfs/dbraw/zinc/25/66/35/284256635.db2.gz KEGRLMIZHKZRJO-INIZCTEOSA-N 1 0 322.330 3.137 10 0 DGAERO COC[C@H](C)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000124332218 284257023 /nfs/dbraw/zinc/25/70/23/284257023.db2.gz BBYRNGKQBJJVRY-ZIFCJYIRSA-N 1 0 304.478 3.254 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)CC[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000124341549 284257669 /nfs/dbraw/zinc/25/76/69/284257669.db2.gz FGCNQUKTIANUIP-RYRKJORJSA-N 1 0 302.462 3.415 10 0 DGAERO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000181343860 432124588 /nfs/dbraw/zinc/12/45/88/432124588.db2.gz GDGCVENGQBDASU-YOEHRIQHSA-N 1 0 310.445 3.461 10 0 DGAERO CCCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246376272 432124595 /nfs/dbraw/zinc/12/45/95/432124595.db2.gz APFWAWXWOPZTAT-WMZOPIPTSA-N 1 0 317.477 3.481 10 0 DGAERO CN(Cc1cccc(F)c1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125221580 284271683 /nfs/dbraw/zinc/27/16/83/284271683.db2.gz ZJNNWGQZQJTGHS-UHFFFAOYSA-N 1 0 321.440 3.088 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc(F)ccc2Cl)C1 ZINC000246373468 432124757 /nfs/dbraw/zinc/12/47/57/432124757.db2.gz JHMJDNUSTFFGCU-IINYFYTJSA-N 1 0 313.804 3.329 10 0 DGAERO CCCC[C@@H](C[NH3+])Nc1ccnc2cc(Br)cnc21 ZINC000135533010 432124746 /nfs/dbraw/zinc/12/47/46/432124746.db2.gz KMJJVFUPIFUKNQ-NSHDSACASA-N 1 0 323.238 3.322 10 0 DGAERO CN(CC(F)(F)F)C(=O)CN(Cc1ccco1)C1CCCC1 ZINC000125852713 284285746 /nfs/dbraw/zinc/28/57/46/284285746.db2.gz GOYCWXZIASFHJS-UHFFFAOYSA-N 1 0 318.339 3.045 10 0 DGAERO O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249997298 284297114 /nfs/dbraw/zinc/29/71/14/284297114.db2.gz OMKQBOQWCBPOHV-GDLCADMTSA-N 1 0 323.234 3.308 10 0 DGAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccncc2)cc1F ZINC000126549291 284308943 /nfs/dbraw/zinc/30/89/43/284308943.db2.gz HAESUSMPSXZNGT-JWTNVVGKSA-N 1 0 312.388 3.375 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc(F)ccc2Cl)C1 ZINC000246373480 432125731 /nfs/dbraw/zinc/12/57/31/432125731.db2.gz JHMJDNUSTFFGCU-QMTHXVAHSA-N 1 0 313.804 3.329 10 0 DGAERO COc1ccc([C@H](C)NCc2cccc(C)n2)cc1NC(C)=O ZINC000127294155 284333870 /nfs/dbraw/zinc/33/38/70/284333870.db2.gz BZLMGRHTSUWKDU-ZDUSSCGKSA-N 1 0 313.401 3.208 10 0 DGAERO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000127303201 284334134 /nfs/dbraw/zinc/33/41/34/284334134.db2.gz MVYAPSLCZHFKPQ-AOOOYVTPSA-N 1 0 318.314 3.009 10 0 DGAERO CC1(C)C[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491238728 245481522 /nfs/dbraw/zinc/48/15/22/245481522.db2.gz HVVXTVNDWWPYGN-IAGOWNOFSA-N 1 0 321.509 3.330 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2O)c(Cl)c1OC ZINC000135604111 432128342 /nfs/dbraw/zinc/12/83/42/432128342.db2.gz ARCGEDGLCSNGKK-QWHCGFSZSA-N 1 0 313.825 3.140 10 0 DGAERO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000135581642 432128631 /nfs/dbraw/zinc/12/86/31/432128631.db2.gz GRIIELRRKRDHFR-RDJZCZTQSA-N 1 0 319.836 3.116 10 0 DGAERO CCC(CC)(CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000161516552 197500571 /nfs/dbraw/zinc/50/05/71/197500571.db2.gz QAUNVJPFHOLAMF-DOTOQJQBSA-N 1 0 302.462 3.378 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCOc1ccccc1Cl)CC2 ZINC000128396215 284373871 /nfs/dbraw/zinc/37/38/71/284373871.db2.gz UOVOXYOKVJRFHB-RHSMWYFYSA-N 1 0 309.837 3.346 10 0 DGAERO Cc1ccc(CCC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000181441280 432129239 /nfs/dbraw/zinc/12/92/39/432129239.db2.gz BSNBWQPZJHNJEZ-HZPDHXFCSA-N 1 0 318.461 3.290 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[C@@H](C)C1 ZINC000246426748 432129315 /nfs/dbraw/zinc/12/93/15/432129315.db2.gz MFOYNCCZJBILBD-SIRPWMCASA-N 1 0 309.498 3.183 10 0 DGAERO CCC1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000128524954 284378286 /nfs/dbraw/zinc/37/82/86/284378286.db2.gz BAVGZOAERHVGQV-OTBWCIGPSA-N 1 0 309.498 3.327 10 0 DGAERO Cc1ccc(O)c(C[NH2+][C@H](C)CCOCc2ccccc2)n1 ZINC000288473027 220165312 /nfs/dbraw/zinc/16/53/12/220165312.db2.gz PBSGAYTZTQHNST-CQSZACIVSA-N 1 0 300.402 3.181 10 0 DGAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(F)c(Br)c2)C1 ZINC000019255019 182111876 /nfs/dbraw/zinc/11/18/76/182111876.db2.gz HOFCHNDNVFOLKM-YGRLFVJLSA-N 1 0 315.230 3.320 10 0 DGAERO CCCCN(C)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019273738 182112180 /nfs/dbraw/zinc/11/21/80/182112180.db2.gz ZVTGVGYQEFRFLA-ZDUSSCGKSA-N 1 0 303.219 3.320 10 0 DGAERO C[C@H]1CCCN([C@@H](C[NH3+])c2ccc(Br)s2)C1 ZINC000019404977 182121260 /nfs/dbraw/zinc/12/12/60/182121260.db2.gz WASSBMVYZGAZCH-UWVGGRQHSA-N 1 0 303.269 3.242 10 0 DGAERO CCCOc1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246435130 432130788 /nfs/dbraw/zinc/13/07/88/432130788.db2.gz NNCBAWJVZMYOAS-ZBFHGGJFSA-N 1 0 319.449 3.326 10 0 DGAERO CCCOc1c(Br)cc(C[NH2+]C)cc1OCC ZINC000019777033 182147763 /nfs/dbraw/zinc/14/77/63/182147763.db2.gz OQZNPVSSMBLHQV-UHFFFAOYSA-N 1 0 302.212 3.356 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)CCc2cc(F)ccc2F)CC1 ZINC000129426011 284409155 /nfs/dbraw/zinc/40/91/55/284409155.db2.gz HKHWKBDAUUIEKQ-UHFFFAOYSA-N 1 0 324.415 3.134 10 0 DGAERO C[C@H]([NH2+][C@H]1CN2CCC1CC2)c1ccc(Br)cc1 ZINC000019946494 182168965 /nfs/dbraw/zinc/16/89/65/182168965.db2.gz NITWHDMVYNCARB-NHYWBVRUSA-N 1 0 309.251 3.194 10 0 DGAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1N)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020013002 182177866 /nfs/dbraw/zinc/17/78/66/182177866.db2.gz MWVCGQPHSMJTPN-TUAOUCFPSA-N 1 0 309.841 3.227 10 0 DGAERO COc1cc([C@H]([NH3+])c2ccc(Cl)cc2)cc(OC)c1OC ZINC000020015155 182178514 /nfs/dbraw/zinc/17/85/14/182178514.db2.gz DFAKWYALLXFJSP-OAHLLOKOSA-N 1 0 307.777 3.414 10 0 DGAERO COc1cc([C@@H]([NH3+])c2ccc(Cl)cc2)cc(OC)c1OC ZINC000020015152 182178529 /nfs/dbraw/zinc/17/85/29/182178529.db2.gz DFAKWYALLXFJSP-HNNXBMFYSA-N 1 0 307.777 3.414 10 0 DGAERO Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000020032948 182182028 /nfs/dbraw/zinc/18/20/28/182182028.db2.gz VQIIBSOTMITMPG-LLVKDONJSA-N 1 0 311.223 3.004 10 0 DGAERO O=C(C[NH2+]C1CCCCC1)Nc1ccccc1Br ZINC000020035707 182182457 /nfs/dbraw/zinc/18/24/57/182182457.db2.gz DGFMYFXPSXBAGH-UHFFFAOYSA-N 1 0 311.223 3.310 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000129645425 284418209 /nfs/dbraw/zinc/41/82/09/284418209.db2.gz BDZHFDYIYCRNRR-KGLIPLIRSA-N 1 0 321.465 3.492 10 0 DGAERO C[N@@H+]1CCN(c2ccc(Cl)cc2N)[C@@H](c2ccccc2)C1 ZINC000020010026 182176721 /nfs/dbraw/zinc/17/67/21/182176721.db2.gz QBJCWLWQYKFRAT-QGZVFWFLSA-N 1 0 301.821 3.415 10 0 DGAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(SC(F)(F)F)cc2)CCO1 ZINC000020010083 182176785 /nfs/dbraw/zinc/17/67/85/182176785.db2.gz ZHDAIMVYCHDLBK-MFKMUULPSA-N 1 0 320.380 3.019 10 0 DGAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000020226658 182198766 /nfs/dbraw/zinc/19/87/66/182198766.db2.gz JZOLARDDZYGCMB-KRWDZBQOSA-N 1 0 314.429 3.226 10 0 DGAERO [NH3+]CCOc1ccc(NC(=O)c2c(F)cccc2Cl)cc1 ZINC000020224564 182198846 /nfs/dbraw/zinc/19/88/46/182198846.db2.gz BWVCYIKXGHYVJT-UHFFFAOYSA-N 1 0 308.740 3.069 10 0 DGAERO CCOc1c(Cl)cc(CNCCC[NH+](C)C)cc1Cl ZINC000020477813 182222529 /nfs/dbraw/zinc/22/25/29/182222529.db2.gz BIPJZXAGVBMFPA-UHFFFAOYSA-N 1 0 305.249 3.433 10 0 DGAERO COc1cccc2ccc(C[N@H+](C)CCn3nc(C)cc3C)nc21 ZINC000020453338 182219496 /nfs/dbraw/zinc/21/94/96/182219496.db2.gz SMYFWKKGHJZHEA-UHFFFAOYSA-N 1 0 324.428 3.189 10 0 DGAERO CCCOc1ccc(C[NH2+][C@@H](CC)CO)cc1Br ZINC000020925881 182254362 /nfs/dbraw/zinc/25/43/62/182254362.db2.gz SXNVYAJNBOWCQB-LBPRGKRZSA-N 1 0 316.239 3.098 10 0 DGAERO CC[C@@H](C)[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933755 182254933 /nfs/dbraw/zinc/25/49/33/182254933.db2.gz NMHVUEVQUSPEFD-SECBINFHSA-N 1 0 302.212 3.354 10 0 DGAERO COc1cc(Br)cc(C[NH2+]CC(C)C)c1OC ZINC000020933749 182255153 /nfs/dbraw/zinc/25/51/53/182255153.db2.gz NIRCPXDEVLBNTE-UHFFFAOYSA-N 1 0 302.212 3.212 10 0 DGAERO CCCOc1c(Cl)cc(Cl)cc1CNCC[NH+](C)C ZINC000020967937 182256791 /nfs/dbraw/zinc/25/67/91/182256791.db2.gz PHKBLPVHDDHFOC-UHFFFAOYSA-N 1 0 305.249 3.433 10 0 DGAERO Cc1ccc(CCC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000022008029 182303724 /nfs/dbraw/zinc/30/37/24/182303724.db2.gz KQVOWPOURYTZQP-LJQANCHMSA-N 1 0 310.441 3.347 10 0 DGAERO C[C@@H]1C[C@H]1[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000246465993 432134381 /nfs/dbraw/zinc/13/43/81/432134381.db2.gz QECYIVZHJSUILY-LYRGGWFBSA-N 1 0 321.852 3.170 10 0 DGAERO [NH3+]C[C@@H](c1ccc(Br)o1)N1CCc2ccccc21 ZINC000022221417 182313181 /nfs/dbraw/zinc/31/31/81/182313181.db2.gz FZEALFLDYCMLAS-LBPRGKRZSA-N 1 0 307.191 3.105 10 0 DGAERO Clc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c2c(c1)COCO2 ZINC000246479800 432136191 /nfs/dbraw/zinc/13/61/91/432136191.db2.gz DEPGJEZKSNJSIH-BLLLJJGKSA-N 1 0 323.820 3.207 10 0 DGAERO CC[C@H](C)[C@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccccn1 ZINC000027521979 182475030 /nfs/dbraw/zinc/47/50/30/182475030.db2.gz FLQLIOAESQMRTQ-LPHOPBHVSA-N 1 0 319.493 3.360 10 0 DGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1csc(Cl)n1 ZINC000274473037 211644776 /nfs/dbraw/zinc/64/47/76/211644776.db2.gz LOOURPGWMJAQTF-UHFFFAOYSA-N 1 0 317.886 3.237 10 0 DGAERO CC(=O)c1c[nH]c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000028172636 182510607 /nfs/dbraw/zinc/51/06/07/182510607.db2.gz CTUJYRJPZFDZGA-UHFFFAOYSA-N 1 0 311.385 3.065 10 0 DGAERO CC(C)OCc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000246504552 432137910 /nfs/dbraw/zinc/13/79/10/432137910.db2.gz FFANCUZTUYYUPP-NXHRZFHOSA-N 1 0 316.445 3.471 10 0 DGAERO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)o1 ZINC000246500687 432138186 /nfs/dbraw/zinc/13/81/86/432138186.db2.gz HRJGGLLEGZOFCI-UVBJJODRSA-N 1 0 319.380 3.166 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2CCOc2cccc(Cl)c2)cn1 ZINC000171504829 432138360 /nfs/dbraw/zinc/13/83/60/432138360.db2.gz DGTBRJYPDRVLJJ-INIZCTEOSA-N 1 0 305.809 3.289 10 0 DGAERO Cn1ccnc1CC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000171503083 432138656 /nfs/dbraw/zinc/13/86/56/432138656.db2.gz FPLMGXLMMBFNEW-UHFFFAOYSA-N 1 0 313.445 3.144 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(C(F)F)c2)C1 ZINC000246542650 432141844 /nfs/dbraw/zinc/14/18/44/432141844.db2.gz VNZSUOXVRMCFGO-BXUZGUMPSA-N 1 0 311.376 3.474 10 0 DGAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000181652025 432141661 /nfs/dbraw/zinc/14/16/61/432141661.db2.gz CCVSIFGHRGKOGI-ZDUSSCGKSA-N 1 0 310.463 3.444 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccccc1OC ZINC000181702173 432142272 /nfs/dbraw/zinc/14/22/72/432142272.db2.gz UYWPIDGLTLFCAJ-WBVHZDCISA-N 1 0 311.429 3.410 10 0 DGAERO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000171553294 432143068 /nfs/dbraw/zinc/14/30/68/432143068.db2.gz PYUSOAFZCRGIHH-AWEZNQCLSA-N 1 0 314.408 3.278 10 0 DGAERO C[C@H](c1cccc(F)c1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000171552890 432143201 /nfs/dbraw/zinc/14/32/01/432143201.db2.gz UBCPKJLDFXXGAQ-CYBMUJFWSA-N 1 0 300.381 3.253 10 0 DGAERO CCc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246555823 432144058 /nfs/dbraw/zinc/14/40/58/432144058.db2.gz XOJFLAICQNIVNT-CRAIPNDOSA-N 1 0 317.477 3.121 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246550957 432144189 /nfs/dbraw/zinc/14/41/89/432144189.db2.gz YQMDEYZIPMNHJL-ZOBUZTSGSA-N 1 0 303.450 3.180 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2cncs2)CCCC1 ZINC000136102566 432145511 /nfs/dbraw/zinc/14/55/11/432145511.db2.gz NEWLDVZGUQOYQA-UHFFFAOYSA-N 1 0 311.451 3.070 10 0 DGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCSc1ccc(Cl)cc1 ZINC000171574295 432146456 /nfs/dbraw/zinc/14/64/56/432146456.db2.gz VJWRCJHVCLZBLT-NEPJUHHUSA-N 1 0 312.866 3.018 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)C2CCCC2)C1 ZINC000246587870 432147615 /nfs/dbraw/zinc/14/76/15/432147615.db2.gz SQHWHDDWWCCYLM-HZPDHXFCSA-N 1 0 309.498 3.232 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)ccc1F ZINC000152647349 284633181 /nfs/dbraw/zinc/63/31/81/284633181.db2.gz AXPXCKXMGCCIFU-GFCCVEGCSA-N 1 0 317.360 3.456 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@@H]1CCOC1 ZINC000527664179 295111940 /nfs/dbraw/zinc/11/19/40/295111940.db2.gz BSQJJZIDBIRXCD-WCBMZHEXSA-N 1 0 320.177 3.242 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000040502125 183084135 /nfs/dbraw/zinc/08/41/35/183084135.db2.gz LURLLLTXRDAFRA-ZDUSSCGKSA-N 1 0 302.340 3.159 10 0 DGAERO C[C@@H](c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246606895 432149350 /nfs/dbraw/zinc/14/93/50/432149350.db2.gz RDNJCXICYWYIFH-WFASDCNBSA-N 1 0 309.251 3.290 10 0 DGAERO [NH3+][C@@H](CC(=O)NCCc1cccc(Cl)c1)c1ccccc1 ZINC000040832644 183139074 /nfs/dbraw/zinc/13/90/74/183139074.db2.gz JFUBPCWFTCMLIX-INIZCTEOSA-N 1 0 302.805 3.089 10 0 DGAERO O=C(c1ccc(Cl)cc1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186540356 284653821 /nfs/dbraw/zinc/65/38/21/284653821.db2.gz IMWRFTOWZLJGRO-NSHDSACASA-N 1 0 313.228 3.350 10 0 DGAERO CC[N@H+](Cc1ccc(F)c(Br)c1)[C@@H](C)COC ZINC000042267463 183248312 /nfs/dbraw/zinc/24/83/12/183248312.db2.gz DZPOYBDOMCYRCG-JTQLQIEISA-N 1 0 304.203 3.445 10 0 DGAERO [NH3+]CCN(Cc1ccc(F)cc1Br)C1CCCC1 ZINC000042428114 183269808 /nfs/dbraw/zinc/26/98/08/183269808.db2.gz UKBORXWZKKNNMY-UHFFFAOYSA-N 1 0 315.230 3.292 10 0 DGAERO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](C)C(N)=S ZINC000042444617 183271256 /nfs/dbraw/zinc/27/12/56/183271256.db2.gz FLAPBMLTAQVLGQ-JTQLQIEISA-N 1 0 315.280 3.193 10 0 DGAERO CC[N@@H+](Cc1ccccc1Br)C[C@H](C)C(N)=S ZINC000042444533 183271342 /nfs/dbraw/zinc/27/13/42/183271342.db2.gz SDAVHKOUTOWBHY-JTQLQIEISA-N 1 0 315.280 3.193 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000042481475 183275040 /nfs/dbraw/zinc/27/50/40/183275040.db2.gz HSSSJZWTMIDQDK-INIZCTEOSA-N 1 0 318.461 3.113 10 0 DGAERO CN(Cc1csc(Br)c1)c1ccc(C[NH3+])cn1 ZINC000042360036 183258178 /nfs/dbraw/zinc/25/81/78/183258178.db2.gz PFILKQLEYAKZPR-UHFFFAOYSA-N 1 0 312.236 3.001 10 0 DGAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042743805 183304497 /nfs/dbraw/zinc/30/44/97/183304497.db2.gz PUXAOCCXAABKRF-YGRLFVJLSA-N 1 0 305.249 3.350 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)n1cc(Br)cn1 ZINC000042915958 183318628 /nfs/dbraw/zinc/31/86/28/183318628.db2.gz CCASSYLUFVSREN-CHWSQXEVSA-N 1 0 312.186 3.111 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)n1ccnc1C ZINC000042955864 183322082 /nfs/dbraw/zinc/32/20/82/183322082.db2.gz FNYHZNGZSWLBII-KBPBESRZSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccc(Br)cc1 ZINC000042956328 183322870 /nfs/dbraw/zinc/32/28/70/183322870.db2.gz VROQJRHHJBZMMR-OIBJUYFYSA-N 1 0 312.129 3.416 10 0 DGAERO C[C@H]([NH3+])[C@H](OCC(F)(F)F)c1cccc(Br)c1 ZINC000043022337 183329375 /nfs/dbraw/zinc/32/93/75/183329375.db2.gz RWTOCRRBIUUSSV-XVKPBYJWSA-N 1 0 312.129 3.416 10 0 DGAERO Cc1cc(C)n([C@@H](c2cccc(Br)c2)[C@@H](C)[NH3+])n1 ZINC000043022073 183329443 /nfs/dbraw/zinc/32/94/43/183329443.db2.gz NDNFCYKFMOVCEK-BXUZGUMPSA-N 1 0 308.223 3.199 10 0 DGAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)n1cc(Cl)cn1 ZINC000043022170 183329923 /nfs/dbraw/zinc/32/99/23/183329923.db2.gz GVCOEYIRMVYLGY-UFBFGSQYSA-N 1 0 314.614 3.236 10 0 DGAERO C[C@@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000043022937 183330732 /nfs/dbraw/zinc/33/07/32/183330732.db2.gz RIXNVEHXRSYXMZ-SWHYSGLUSA-N 1 0 314.223 3.033 10 0 DGAERO [NH3+]C[C@H](OC[C@@H]1CCCCO1)c1cccc(Br)c1 ZINC000043023067 183330770 /nfs/dbraw/zinc/33/07/70/183330770.db2.gz QUIPSSBJDKIMAJ-KBPBESRZSA-N 1 0 314.223 3.035 10 0 DGAERO C[C@@H]([NH3+])[C@@H](OCC(F)(F)F)c1cccc(Br)c1 ZINC000043022341 183330774 /nfs/dbraw/zinc/33/07/74/183330774.db2.gz RWTOCRRBIUUSSV-GMSGAONNSA-N 1 0 312.129 3.416 10 0 DGAERO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)n1cc(Br)cn1 ZINC000043053284 183332532 /nfs/dbraw/zinc/33/25/32/183332532.db2.gz QKBBEEKALNLFQS-PRHODGIISA-N 1 0 314.614 3.236 10 0 DGAERO CCOCCO[C@H](c1ccccc1Br)[C@@H]([NH3+])CC ZINC000043094576 183337041 /nfs/dbraw/zinc/33/70/41/183337041.db2.gz GCCHGVYUZJLIDL-UONOGXRCSA-N 1 0 316.239 3.281 10 0 DGAERO C[NH2+]C[C@@H]1CCCCN1Cc1cc(Br)cs1 ZINC000043687680 183380855 /nfs/dbraw/zinc/38/08/55/183380855.db2.gz GZDCCGSIJOCQEC-NSHDSACASA-N 1 0 303.269 3.085 10 0 DGAERO Cc1c(NCC(C)(C)C)cccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000153589166 284679503 /nfs/dbraw/zinc/67/95/03/284679503.db2.gz SRXFWHDYBLCCGL-HNNXBMFYSA-N 1 0 317.477 3.229 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)ccc1F ZINC000154005920 284705495 /nfs/dbraw/zinc/70/54/95/284705495.db2.gz IRAKNGASRFFAMA-NEPJUHHUSA-N 1 0 319.424 3.466 10 0 DGAERO O=C(Nc1ccc(Cl)cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104974091 194059863 /nfs/dbraw/zinc/05/98/63/194059863.db2.gz XLJCDILDIBMOOF-GFCCVEGCSA-N 1 0 311.788 3.181 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104971670 194059678 /nfs/dbraw/zinc/05/96/78/194059678.db2.gz PMKDKGDSNBHMKW-AWEZNQCLSA-N 1 0 307.825 3.350 10 0 DGAERO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000104972194 194059812 /nfs/dbraw/zinc/05/98/12/194059812.db2.gz YLXQSMICDNAUNB-CYBMUJFWSA-N 1 0 307.825 3.350 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000105087041 194072451 /nfs/dbraw/zinc/07/24/51/194072451.db2.gz JUAJGDIDWFYKOI-HUUCEWRRSA-N 1 0 307.438 3.069 10 0 DGAERO CC(C)(C)CCCCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000105253554 194089207 /nfs/dbraw/zinc/08/92/07/194089207.db2.gz WOMQMIOPQAMKMB-UHFFFAOYSA-N 1 0 309.498 3.473 10 0 DGAERO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccccc3F)CC2)nn1 ZINC000105801620 194131856 /nfs/dbraw/zinc/13/18/56/194131856.db2.gz WFZBFEPJASSLEM-HNNXBMFYSA-N 1 0 314.408 3.197 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1F ZINC000105802369 194132337 /nfs/dbraw/zinc/13/23/37/194132337.db2.gz CJXOWDCIPZBOOV-GXTWGEPZSA-N 1 0 318.371 3.074 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000105884778 194157028 /nfs/dbraw/zinc/15/70/28/194157028.db2.gz RUOXHSLLAHQQKK-INIZCTEOSA-N 1 0 318.852 3.461 10 0 DGAERO Fc1cc2cccnc2c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000105887026 194157831 /nfs/dbraw/zinc/15/78/31/194157831.db2.gz OQQLJHIHUPSXCG-UHFFFAOYSA-N 1 0 324.403 3.483 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000105900859 194165518 /nfs/dbraw/zinc/16/55/18/194165518.db2.gz RJJGLLYMJIZRQA-LJQANCHMSA-N 1 0 321.428 3.214 10 0 DGAERO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106068795 194183990 /nfs/dbraw/zinc/18/39/90/194183990.db2.gz VYKWWXALJZAWDO-CQSZACIVSA-N 1 0 316.836 3.403 10 0 DGAERO c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080653 194184021 /nfs/dbraw/zinc/18/40/21/194184021.db2.gz ADNOVCSZMFRDLQ-SFHVURJKSA-N 1 0 308.429 3.431 10 0 DGAERO CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106424278 194212286 /nfs/dbraw/zinc/21/22/86/194212286.db2.gz OZOPSNUEQYRHPQ-SFHVURJKSA-N 1 0 312.413 3.197 10 0 DGAERO c1c2ccccc2sc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285169348 218318669 /nfs/dbraw/zinc/31/86/69/218318669.db2.gz BAHNOIUIIRQQBD-KRWDZBQOSA-N 1 0 303.427 3.283 10 0 DGAERO COc1ccc(Br)cc1C[C@@H]([NH3+])CC(F)(F)F ZINC000049599928 183747086 /nfs/dbraw/zinc/74/70/86/183747086.db2.gz ZGMVFVRPZJUIFM-SECBINFHSA-N 1 0 312.129 3.280 10 0 DGAERO CC(=O)c1csc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107523866 194255985 /nfs/dbraw/zinc/25/59/85/194255985.db2.gz FCIUJVGZLBAOGT-OAHLLOKOSA-N 1 0 320.458 3.041 10 0 DGAERO CSc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000107524525 194256002 /nfs/dbraw/zinc/25/60/02/194256002.db2.gz IURLZNYPBTXYEI-MRXNPFEDSA-N 1 0 318.486 3.499 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000245515141 284819868 /nfs/dbraw/zinc/81/98/68/284819868.db2.gz DBMDNFWWLGGZHP-BZUAXINKSA-N 1 0 318.461 3.096 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1NC(C)=O ZINC000245623438 284831764 /nfs/dbraw/zinc/83/17/64/284831764.db2.gz XMQBOZWSWOQMSM-ZWUHOBOKSA-N 1 0 320.433 3.260 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245658757 284834603 /nfs/dbraw/zinc/83/46/03/284834603.db2.gz CXEBSCUHJPELKX-CGTJXYLNSA-N 1 0 317.477 3.365 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000110449447 194331302 /nfs/dbraw/zinc/33/13/02/194331302.db2.gz YHBFCNHKALLLOQ-RTBURBONSA-N 1 0 308.425 3.282 10 0 DGAERO Brc1ccc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000054301373 183933429 /nfs/dbraw/zinc/93/34/29/183933429.db2.gz HHRXWZILJFWTGY-JTQLQIEISA-N 1 0 322.206 3.041 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000110997012 194380151 /nfs/dbraw/zinc/38/01/51/194380151.db2.gz TZUVAWMEVMFJGL-RBSFLKMASA-N 1 0 322.399 3.059 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccc(C(=O)OC)s1 ZINC000159319928 197344861 /nfs/dbraw/zinc/34/48/61/197344861.db2.gz DVPCXOAOMKYXQJ-UHFFFAOYSA-N 1 0 310.444 3.056 10 0 DGAERO COc1ccc([C@@H](C[NH3+])Nc2ccccc2Cl)c(OC)c1 ZINC000057637738 184043551 /nfs/dbraw/zinc/04/35/51/184043551.db2.gz SIKULYLHFOGPJM-OAHLLOKOSA-N 1 0 306.793 3.469 10 0 DGAERO CCCOC[C@@H](Cc1cc(Br)ccc1F)[NH2+]C ZINC000060701860 184154519 /nfs/dbraw/zinc/15/45/19/184154519.db2.gz WVILVPPPNWPMLD-GFCCVEGCSA-N 1 0 304.203 3.145 10 0 DGAERO CC[NH2+]C[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000061220256 184166052 /nfs/dbraw/zinc/16/60/52/184166052.db2.gz PGVHRIBISVPHNH-VIFPVBQESA-N 1 0 310.195 3.212 10 0 DGAERO COc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c2ccccc12 ZINC000061605145 184176918 /nfs/dbraw/zinc/17/69/18/184176918.db2.gz DGINDPWSSDPBSY-UHFFFAOYSA-N 1 0 324.424 3.159 10 0 DGAERO O=C(CCc1ccc2ccccc2c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604161 184177187 /nfs/dbraw/zinc/17/71/87/184177187.db2.gz VGKORSVMROYRDI-UHFFFAOYSA-N 1 0 322.452 3.469 10 0 DGAERO CC(C)Sc1ccccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604194 184177604 /nfs/dbraw/zinc/17/76/04/184177604.db2.gz FATKBINYPVMQIK-UHFFFAOYSA-N 1 0 318.486 3.497 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1Cl ZINC000061692496 184183570 /nfs/dbraw/zinc/18/35/70/184183570.db2.gz BOYZCLBDESYAOR-WRWORJQWSA-N 1 0 319.630 3.414 10 0 DGAERO Cc1nnc(Sc2ccc([C@H](C)[NH3+])cc2Br)[nH]1 ZINC000061700358 184183950 /nfs/dbraw/zinc/18/39/50/184183950.db2.gz UKNRYJKHXMIOMN-LURJTMIESA-N 1 0 313.224 3.047 10 0 DGAERO C[NH2+][C@H](c1ccc(OC)c(Br)c1)[C@H]1CCCOC1 ZINC000062230975 184224009 /nfs/dbraw/zinc/22/40/09/184224009.db2.gz BIUBSUQVFRFGOZ-SMDDNHRTSA-N 1 0 314.223 3.145 10 0 DGAERO C[NH2+][C@@H](c1ccc(OC)c(Br)c1)[C@@H]1CCCOC1 ZINC000062230968 184224300 /nfs/dbraw/zinc/22/43/00/184224300.db2.gz BIUBSUQVFRFGOZ-RISCZKNCSA-N 1 0 314.223 3.145 10 0 DGAERO COCCOc1ccc(Br)cc1C[NH2+]CC(C)C ZINC000062729960 184250594 /nfs/dbraw/zinc/25/05/94/184250594.db2.gz SFUMZUBCZVNQDM-UHFFFAOYSA-N 1 0 316.239 3.220 10 0 DGAERO [NH3+][C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000062838106 184255519 /nfs/dbraw/zinc/25/55/19/184255519.db2.gz PZYJCMWSGVOVCK-AWEZNQCLSA-N 1 0 309.196 3.423 10 0 DGAERO [NH3+][C@H](CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000062837813 184255799 /nfs/dbraw/zinc/25/57/99/184255799.db2.gz FLIYJKXJAJALGZ-CYBMUJFWSA-N 1 0 309.196 3.423 10 0 DGAERO C[NH2+]Cc1ccc(OC[C@@H]2CCCCO2)c(Br)c1 ZINC000062700692 184247490 /nfs/dbraw/zinc/24/74/90/184247490.db2.gz TWNYTVGYZXRNSH-LBPRGKRZSA-N 1 0 314.223 3.116 10 0 DGAERO FC(F)(F)CC[NH2+]CCOc1cccc(Br)c1 ZINC000063099936 184270526 /nfs/dbraw/zinc/27/05/26/184270526.db2.gz JLKQHNXIZVHMJR-UHFFFAOYSA-N 1 0 312.129 3.370 10 0 DGAERO COc1ncc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)c(OC)n1 ZINC000065491674 184353408 /nfs/dbraw/zinc/35/34/08/184353408.db2.gz GFWQWLGSBXEVPI-CYBMUJFWSA-N 1 0 313.401 3.318 10 0 DGAERO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000066175344 184395394 /nfs/dbraw/zinc/39/53/94/184395394.db2.gz FGOXPPIPFNXHTH-CQSZACIVSA-N 1 0 307.438 3.165 10 0 DGAERO O=C(c1ccc(Oc2ccccc2)cc1)N1CC[NH+]2CCC1CC2 ZINC000113687080 194608998 /nfs/dbraw/zinc/60/89/98/194608998.db2.gz WCWDHNYOJAYXOZ-UHFFFAOYSA-N 1 0 322.408 3.399 10 0 DGAERO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@@H](C)O ZINC000114771546 194690163 /nfs/dbraw/zinc/69/01/63/194690163.db2.gz SFSCGDLPLQLNCO-LLVKDONJSA-N 1 0 307.825 3.003 10 0 DGAERO CCC[C@H](CC)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115812826 194702803 /nfs/dbraw/zinc/70/28/03/194702803.db2.gz HVUQYSPXJHGDDP-HNNXBMFYSA-N 1 0 309.429 3.265 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@H](C)C1 ZINC000248603899 285009774 /nfs/dbraw/zinc/00/97/74/285009774.db2.gz JNIZKXVLFWZMJY-SIRPWMCASA-N 1 0 309.498 3.183 10 0 DGAERO CC[NH+](CC)CCNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000173262732 252655551 /nfs/dbraw/zinc/65/55/51/252655551.db2.gz RSIRDYIPKBAANV-HNNXBMFYSA-N 1 0 307.438 3.166 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H]2CCCc3sccc32)C1 ZINC000248602739 285009748 /nfs/dbraw/zinc/00/97/48/285009748.db2.gz DJWGOEJTEABYFL-BPLDGKMQSA-N 1 0 321.490 3.153 10 0 DGAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000248663550 285016412 /nfs/dbraw/zinc/01/64/12/285016412.db2.gz ZTNHPYFAWRZGCZ-ROUUACIJSA-N 1 0 309.425 3.010 10 0 DGAERO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000248742333 285022342 /nfs/dbraw/zinc/02/23/42/285022342.db2.gz DUWYDZCAOUDDLL-MJGOQNOKSA-N 1 0 318.461 3.130 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000248750387 285022958 /nfs/dbraw/zinc/02/29/58/285022958.db2.gz GEXKLJKADAACRC-DABQJJPHSA-N 1 0 317.351 3.361 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119548934 194992522 /nfs/dbraw/zinc/99/25/22/194992522.db2.gz MFVJRMWANCQICM-DOTOQJQBSA-N 1 0 310.482 3.009 10 0 DGAERO C[C@H](O)C1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000119624707 195005434 /nfs/dbraw/zinc/00/54/34/195005434.db2.gz GIGFVOUVTOCTDT-LBPRGKRZSA-N 1 0 317.351 3.221 10 0 DGAERO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000248895884 285038124 /nfs/dbraw/zinc/03/81/24/285038124.db2.gz UDGVJNCUOMISCW-CPUCHLNUSA-N 1 0 316.445 3.149 10 0 DGAERO COc1ccc(-c2noc([C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)n2)cn1 ZINC000248946304 285040616 /nfs/dbraw/zinc/04/06/16/285040616.db2.gz OTQARRIDXPSZKF-GRYCIOLGSA-N 1 0 302.378 3.074 10 0 DGAERO C[C@H](CC[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccccc1 ZINC000249034720 285047507 /nfs/dbraw/zinc/04/75/07/285047507.db2.gz SARFYUOKYXLLFV-QUCCMNQESA-N 1 0 316.489 3.367 10 0 DGAERO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000249037263 285047958 /nfs/dbraw/zinc/04/79/58/285047958.db2.gz UGWVWSMXGLAPJL-OAGGEKHMSA-N 1 0 317.477 3.364 10 0 DGAERO CC[C@](C)(CCO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000119929935 195064771 /nfs/dbraw/zinc/06/47/71/195064771.db2.gz MWHCSFXRZDHRNJ-CYBMUJFWSA-N 1 0 304.203 3.229 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H](C)CC2)[C@H](C)C1 ZINC000249106454 285056101 /nfs/dbraw/zinc/05/61/01/285056101.db2.gz QNBSNSMJRCLNQN-VQHPVUNQSA-N 1 0 309.498 3.327 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc3ccccc3c2)on1 ZINC000120100550 195097019 /nfs/dbraw/zinc/09/70/19/195097019.db2.gz KGZUSRKFPGIDPA-CYBMUJFWSA-N 1 0 309.369 3.426 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000310417493 252906579 /nfs/dbraw/zinc/90/65/79/252906579.db2.gz KCQMTOOBWACUMG-INTQDDNPSA-N 1 0 316.264 3.249 10 0 DGAERO CC(C)(C[NH2+]Cc1cc(Cl)sc1Cl)N1CCOCC1 ZINC000312609844 252908899 /nfs/dbraw/zinc/90/88/99/252908899.db2.gz VPVKNMKDWILKQY-UHFFFAOYSA-N 1 0 323.289 3.255 10 0 DGAERO C[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)C[C@@H](c2ccccc2)O1 ZINC000249116050 285057434 /nfs/dbraw/zinc/05/74/34/285057434.db2.gz RZPJDOCSZSJTPC-MNEFBYGVSA-N 1 0 303.446 3.390 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@H]3C(C)=CCC[C@@H]3C)CC2)nn1 ZINC000249127393 285057884 /nfs/dbraw/zinc/05/78/84/285057884.db2.gz VDNRJLKPJLRJME-WMZOPIPTSA-N 1 0 314.477 3.290 10 0 DGAERO C(c1nc(C2CCCC2)no1)N1CCC([NH+]2CCCCC2)CC1 ZINC000336870411 253015104 /nfs/dbraw/zinc/01/51/04/253015104.db2.gz JGVOVYCDULEONQ-UHFFFAOYSA-N 1 0 318.465 3.178 10 0 DGAERO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249540228 285079795 /nfs/dbraw/zinc/07/97/95/285079795.db2.gz DRBUIFVSBMHUFM-AUUYWEPGSA-N 1 0 319.445 3.271 10 0 DGAERO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249726696 285085401 /nfs/dbraw/zinc/08/54/01/285085401.db2.gz QHOYKNWEJVZQOM-MCIONIFRSA-N 1 0 320.399 3.298 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000249788636 285089337 /nfs/dbraw/zinc/08/93/37/285089337.db2.gz SWIFMSSXKFPKED-HOCLYGCPSA-N 1 0 321.852 3.111 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000249973711 285091491 /nfs/dbraw/zinc/09/14/91/285091491.db2.gz XTEDIFSOQHQEQX-PMPSAXMXSA-N 1 0 313.363 3.496 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)c1cccc(F)c1 ZINC000253548897 285110364 /nfs/dbraw/zinc/11/03/64/285110364.db2.gz LKVHTBGEKISLLP-XKQJLSEDSA-N 1 0 304.409 3.014 10 0 DGAERO CC(C)[C@H](CCO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000159154203 197331534 /nfs/dbraw/zinc/33/15/34/197331534.db2.gz BVENZTVSCMIGBD-ZDUSSCGKSA-N 1 0 304.203 3.085 10 0 DGAERO c1ccc([C@H](CNc2ccnc3cccnc32)[NH+]2CCCC2)cc1 ZINC000338635807 253323831 /nfs/dbraw/zinc/32/38/31/253323831.db2.gz DBJWGVDGRUMTJF-IBGZPJMESA-N 1 0 318.424 3.301 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000159028793 197320521 /nfs/dbraw/zinc/32/05/21/197320521.db2.gz XSXXMFFREGKBTJ-FZMZJTMJSA-N 1 0 314.351 3.164 10 0 DGAERO c1cnn(-c2cccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)c2)c1 ZINC000339052655 253397985 /nfs/dbraw/zinc/39/79/85/253397985.db2.gz NGJPQJCWTZSATC-IPMKNSEASA-N 1 0 323.440 3.310 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccccn1 ZINC000158769556 197300422 /nfs/dbraw/zinc/30/04/22/197300422.db2.gz SYRUBQNEIJGUCQ-OAHLLOKOSA-N 1 0 309.413 3.449 10 0 DGAERO CC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)[C@@H](C)C(C)C ZINC000118833288 285128984 /nfs/dbraw/zinc/12/89/84/285128984.db2.gz JZLXXYBZZDCIQP-NSHDSACASA-N 1 0 319.474 3.340 10 0 DGAERO COC[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000152961257 533093095 /nfs/dbraw/zinc/09/30/95/533093095.db2.gz HICXRQCAXXEPNH-OALUTQOASA-N 1 0 302.462 3.056 10 0 DGAERO CCN(c1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1)C(C)C ZINC000261774742 285145347 /nfs/dbraw/zinc/14/53/47/285145347.db2.gz KQAIMLYEMWYQNQ-YJBOKZPZSA-N 1 0 317.477 3.121 10 0 DGAERO C[C@@H]1CCCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000255339757 285148061 /nfs/dbraw/zinc/14/80/61/285148061.db2.gz ZGRJFPDKBQMITB-DQIHPLBOSA-N 1 0 307.482 3.127 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)NC/C=C\c2ccccc2)CC1 ZINC000255553044 285163389 /nfs/dbraw/zinc/16/33/89/285163389.db2.gz HMMHOGPGHNQPMX-TWGQIWQCSA-N 1 0 315.461 3.119 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(C)c(-c2ncco2)c1)[NH+](C)C ZINC000157696641 197209265 /nfs/dbraw/zinc/20/92/65/197209265.db2.gz VONQJYJDICVMDT-OAHLLOKOSA-N 1 0 301.390 3.319 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342819825 254059036 /nfs/dbraw/zinc/05/90/36/254059036.db2.gz DOVJDHDYUGKEAK-HOTGVXAUSA-N 1 0 315.442 3.349 10 0 DGAERO CCCC[C@H](COC)[NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000157543395 197195181 /nfs/dbraw/zinc/19/51/81/197195181.db2.gz CWQRWBDTAXIXOS-DLBZAZTESA-N 1 0 320.477 3.316 10 0 DGAERO c1cc2c(o1)CCC[N@@H+](CCOCCOc1ccccc1)C2 ZINC000344297331 254253060 /nfs/dbraw/zinc/25/30/60/254253060.db2.gz RULNAOBKWSCMOO-UHFFFAOYSA-N 1 0 301.386 3.123 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C=C\c2ccccc2)C[C@H]1CC ZINC000255868742 285183164 /nfs/dbraw/zinc/18/31/64/285183164.db2.gz YRUQDSZAEQIHIS-SCEWNMGZSA-N 1 0 302.462 3.133 10 0 DGAERO CO[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1)C(C)C ZINC000344723441 254299728 /nfs/dbraw/zinc/29/97/28/254299728.db2.gz DRTCSQJTEPANCH-ZDUSSCGKSA-N 1 0 304.203 3.349 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@H]2CC[C@@H]2SC)c1 ZINC000344964298 254319886 /nfs/dbraw/zinc/31/98/86/254319886.db2.gz ZRVANZKHHKUDCN-STQMWFEESA-N 1 0 316.264 3.441 10 0 DGAERO Cc1ccccc1C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262542085 285195555 /nfs/dbraw/zinc/19/55/55/285195555.db2.gz SLHROXUWIUDUIJ-NXHRZFHOSA-N 1 0 312.457 3.064 10 0 DGAERO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(C)c1 ZINC000120361575 195151492 /nfs/dbraw/zinc/15/14/92/195151492.db2.gz ISZQKJRNLBNZSU-OAHLLOKOSA-N 1 0 319.449 3.246 10 0 DGAERO Cc1ccc(N2CCC[N@H+](CCCC3CCCC3)CC2)nn1 ZINC000120387191 195155609 /nfs/dbraw/zinc/15/56/09/195155609.db2.gz FRBXNCHJOHONMF-UHFFFAOYSA-N 1 0 302.466 3.268 10 0 DGAERO CCc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000120392747 195156507 /nfs/dbraw/zinc/15/65/07/195156507.db2.gz DFMCVXPYYLCBSI-YOEHRIQHSA-N 1 0 303.450 3.443 10 0 DGAERO Cc1noc([C@H](C)N2CC[NH+](CCCC3CCCC3)CC2)n1 ZINC000120501114 195179073 /nfs/dbraw/zinc/17/90/73/195179073.db2.gz GFURVEVZCDUWFH-AWEZNQCLSA-N 1 0 306.454 3.027 10 0 DGAERO CCc1noc([C@@H](C)N2CC[NH+](CCCC3CCCC3)CC2)n1 ZINC000120503717 195179699 /nfs/dbraw/zinc/17/96/99/195179699.db2.gz DCLYXWGXLGIIRT-OAHLLOKOSA-N 1 0 320.481 3.281 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000120557176 195189725 /nfs/dbraw/zinc/18/97/25/195189725.db2.gz FTMOQJZYJJWEGR-GDZNZVCISA-N 1 0 307.459 3.462 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC2=CCCOC2)c1 ZINC000120635113 195206186 /nfs/dbraw/zinc/20/61/86/195206186.db2.gz FIJWHUZBXNYLDJ-QGZVFWFLSA-N 1 0 303.402 3.187 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000120752489 195229879 /nfs/dbraw/zinc/22/98/79/195229879.db2.gz ROINEPZFUWTGKX-RYUDHWBXSA-N 1 0 315.417 3.047 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC000120849492 195249796 /nfs/dbraw/zinc/24/97/96/195249796.db2.gz JOHGOMFYSLLDIL-KDOFPFPSSA-N 1 0 311.429 3.294 10 0 DGAERO Cc1ccc(Br)cc1C[NH+]1CCC([C@H](C)O)CC1 ZINC000313591311 285304212 /nfs/dbraw/zinc/30/42/12/285304212.db2.gz ROKILKDGSWQCFF-LBPRGKRZSA-N 1 0 312.251 3.350 10 0 DGAERO OC[C@H]([NH2+]Cc1csc(Br)c1)C1CCCC1 ZINC000289622364 221109900 /nfs/dbraw/zinc/10/99/00/221109900.db2.gz SXLYNHGLFXTILL-NSHDSACASA-N 1 0 304.253 3.151 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H]1C ZINC000043040335 296436406 /nfs/dbraw/zinc/43/64/06/296436406.db2.gz ACIMNPNGVTUXAH-BFYDXBDKSA-N 1 0 307.482 3.081 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc2c1COC2 ZINC000341395749 285323122 /nfs/dbraw/zinc/32/31/22/285323122.db2.gz GEUNJRVIKACUSK-VDZJLULYSA-N 1 0 301.430 3.402 10 0 DGAERO Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)o1 ZINC000248096671 257109670 /nfs/dbraw/zinc/10/96/70/257109670.db2.gz MQPCQSXKHGDXIW-BZSNNMDCSA-N 1 0 305.418 3.137 10 0 DGAERO c1ccc(CC[N@@H+]2C[C@@H]3CCN(Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000253596781 257105603 /nfs/dbraw/zinc/10/56/03/257105603.db2.gz VWLIYETXQVLKLT-LEWJYISDSA-N 1 0 321.468 3.078 10 0 DGAERO Cc1ccc(C)c([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1 ZINC000071790572 184841748 /nfs/dbraw/zinc/84/17/48/184841748.db2.gz LCCDNSAFCFIDII-ZBFHGGJFSA-N 1 0 304.434 3.355 10 0 DGAERO C[N@@H+](Cc1cccs1)C[C@H](c1cccs1)N1CCOCC1 ZINC000121714584 195333855 /nfs/dbraw/zinc/33/38/55/195333855.db2.gz GRPNWRHGNPKCRF-OAHLLOKOSA-N 1 0 322.499 3.315 10 0 DGAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000122036774 195392560 /nfs/dbraw/zinc/39/25/60/195392560.db2.gz XOLYARGKUMYKSM-AWEZNQCLSA-N 1 0 303.233 3.487 10 0 DGAERO C[C@@H]1CCC[C@@](CNC(=O)N2CCCC23CCC3)([NH+](C)C)C1 ZINC000445264965 296454115 /nfs/dbraw/zinc/45/41/15/296454115.db2.gz MRFPLJXCITZHSR-CRAIPNDOSA-N 1 0 307.482 3.225 10 0 DGAERO COc1ccc(C[N@H+](C)CCCO)cc1OCc1ccccc1 ZINC000442953997 533537348 /nfs/dbraw/zinc/53/73/48/533537348.db2.gz CIZZCSHBYFETLE-UHFFFAOYSA-N 1 0 315.413 3.088 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000177048037 533606165 /nfs/dbraw/zinc/60/61/65/533606165.db2.gz NBILVOAGIGVXHX-HYVNUMGLSA-N 1 0 312.457 3.238 10 0 DGAERO C[C@@H](CC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)[S@](C)=O ZINC000158122142 533607679 /nfs/dbraw/zinc/60/76/79/533607679.db2.gz APQCYJZNNAYJDS-GWNMQOMSSA-N 1 0 311.344 3.091 10 0 DGAERO c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000315445056 285459290 /nfs/dbraw/zinc/45/92/90/285459290.db2.gz VUXDZNJNFOPETG-ZFWWWQNUSA-N 1 0 314.458 3.174 10 0 DGAERO c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCOC3(CCCC3)C1)CO2 ZINC000494593608 285506025 /nfs/dbraw/zinc/50/60/25/285506025.db2.gz YKOUPZMAUFWXRC-IAGOWNOFSA-N 1 0 301.430 3.462 10 0 DGAERO Fc1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128558224 195974787 /nfs/dbraw/zinc/97/47/87/195974787.db2.gz CFMXNYCAFSCOMR-JKSUJKDBSA-N 1 0 303.381 3.175 10 0 DGAERO O=C1CC[C@H]([NH2+]C[C@H]2CCC3(CCCCC3)O2)[C@@H](C2CC2)N1 ZINC000328913900 296539553 /nfs/dbraw/zinc/53/95/53/296539553.db2.gz PVJATTIDQNTFPJ-HLLBOEOZSA-N 1 0 306.450 3.355 10 0 DGAERO Cc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000007540722 400106039 /nfs/dbraw/zinc/10/60/39/400106039.db2.gz SVONJUZPFZHIDF-CYBMUJFWSA-N 1 0 318.367 3.240 10 0 DGAERO Cc1cccc(-c2cccc(C[C@@]3(C(N)=O)CCCC[NH2+]3)c2)c1 ZINC000616575102 400176015 /nfs/dbraw/zinc/17/60/15/400176015.db2.gz FDMXNWYBOAESFE-HXUWFJFHSA-N 1 0 308.425 3.202 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cccc2ccncc21 ZINC000616583957 400178033 /nfs/dbraw/zinc/17/80/33/400178033.db2.gz HGWMVGOKIULZBR-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cccc3ccncc32)Cc2ccccc21 ZINC000616590075 400179002 /nfs/dbraw/zinc/17/90/02/400179002.db2.gz UAFUDEMAYQLHKB-KRWDZBQOSA-N 1 0 303.409 3.340 10 0 DGAERO C[N@@H+]1CCO[C@@H](c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000616593523 400180406 /nfs/dbraw/zinc/18/04/06/400180406.db2.gz KOEUKTDIUPROLF-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO CCOC(=O)c1ccc([C@H]2CC[N@@H+](C(C)(C)C)CCO2)cc1 ZINC000616596240 400180462 /nfs/dbraw/zinc/18/04/62/400180462.db2.gz TYTBQHYKLOYSAN-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCOCC[N@@H+]1C ZINC000616597673 400181487 /nfs/dbraw/zinc/18/14/87/400181487.db2.gz HUSIBHZOKXNGGG-HNNXBMFYSA-N 1 0 320.433 3.451 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](C(F)(F)F)CC1 ZINC000616601184 400181711 /nfs/dbraw/zinc/18/17/11/400181711.db2.gz LAGJWIMQGFVROF-LLVKDONJSA-N 1 0 310.360 3.176 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2COCCC[N@@H+]2C)cc1 ZINC000616598395 400182187 /nfs/dbraw/zinc/18/21/87/400182187.db2.gz YKYFZQGNFPQLFT-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO c1ccc(CN2CC[NH2+][C@@H](c3cccc4ncccc43)C2)cc1 ZINC000616633231 400189076 /nfs/dbraw/zinc/18/90/76/400189076.db2.gz NDZJKCUXWQLISK-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2COCCC[NH2+]2)cc1 ZINC000616603363 400183853 /nfs/dbraw/zinc/18/38/53/400183853.db2.gz NBUIWMPSLZJZLR-OAHLLOKOSA-N 1 0 306.406 3.109 10 0 DGAERO CCC[C@@H](C(=O)OCC)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000609635617 400184153 /nfs/dbraw/zinc/18/41/53/400184153.db2.gz BLXCFONMTYABOO-ROUUACIJSA-N 1 0 324.509 3.306 10 0 DGAERO CNc1cccc([C@@H]2CC[N@H+](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000616611991 400185596 /nfs/dbraw/zinc/18/55/96/400185596.db2.gz KAGDUFPGFKXRCA-OAHLLOKOSA-N 1 0 319.449 3.042 10 0 DGAERO [NH3+]C[C@H]1C[C@H]1c1cc(Br)cc(Br)c1 ZINC000307223422 400128659 /nfs/dbraw/zinc/12/86/59/400128659.db2.gz KCHGZGSYCMVIIZ-XCBNKYQSSA-N 1 0 305.013 3.274 10 0 DGAERO CC(C)(C)OC(=O)Nc1cccc(C2CCN(CC[NH3+])CC2)c1 ZINC000616619954 400186075 /nfs/dbraw/zinc/18/60/75/400186075.db2.gz SWYLPHHHEAGGCK-UHFFFAOYSA-N 1 0 319.449 3.172 10 0 DGAERO c1coc([C@@H]2CC[N@@H+](CCOCCOc3ccccc3)C2)c1 ZINC000600695743 400133164 /nfs/dbraw/zinc/13/31/64/400133164.db2.gz ZAYAGKOMTJXUQZ-MRXNPFEDSA-N 1 0 301.386 3.165 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000311847358 400136158 /nfs/dbraw/zinc/13/61/58/400136158.db2.gz NUOUJLNAIKIXNR-XWIASGKRSA-N 1 0 304.217 3.121 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCCN(CC[NH3+])C1 ZINC000616620705 400186433 /nfs/dbraw/zinc/18/64/33/400186433.db2.gz KMPJKMYJUQFCGI-AWEZNQCLSA-N 1 0 319.449 3.172 10 0 DGAERO COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H](C)c2ccncc2)c1 ZINC000586790604 400157069 /nfs/dbraw/zinc/15/70/69/400157069.db2.gz MHHZBYYBVRDQKG-VXGBXAGGSA-N 1 0 304.415 3.384 10 0 DGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2cc(Cl)ccc12 ZINC000588921243 400243962 /nfs/dbraw/zinc/24/39/62/400243962.db2.gz ADTPTVLMHBOEDW-OLZOCXBDSA-N 1 0 317.820 3.178 10 0 DGAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000588927569 400246513 /nfs/dbraw/zinc/24/65/13/400246513.db2.gz LRHUGZKQRRCAGN-LLVKDONJSA-N 1 0 307.825 3.281 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2cccc3ncccc32)cc1 ZINC000616637558 400190908 /nfs/dbraw/zinc/19/09/08/400190908.db2.gz XDNMMFLTILJLBJ-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO OCCc1ccccc1[C@H]1COCCC[N@@H+]1Cc1ccccc1 ZINC000616645736 400191291 /nfs/dbraw/zinc/19/12/91/400191291.db2.gz BBYKOMNZJMLDQZ-HXUWFJFHSA-N 1 0 311.425 3.185 10 0 DGAERO CCN1CC[NH2+]C[C@H]1c1ccccc1N(C)C(=O)OC(C)(C)C ZINC000616637728 400191763 /nfs/dbraw/zinc/19/17/63/400191763.db2.gz PZDBTCKMIRBGBI-INIZCTEOSA-N 1 0 319.449 3.024 10 0 DGAERO CCOC(=O)c1ccc([C@@H]2C[N@@H+](C(C)(C)C)CCCO2)cc1 ZINC000616649385 400192879 /nfs/dbraw/zinc/19/28/79/400192879.db2.gz HGNXZSFWCYDYBC-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cccc3cccnc32)Cc2ccccc21 ZINC000616670160 400197780 /nfs/dbraw/zinc/19/77/80/400197780.db2.gz BYHYEJBJKSJWQI-KRWDZBQOSA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccc3ccccc3n2)Cc2ccccc21 ZINC000616672808 400199172 /nfs/dbraw/zinc/19/91/72/400199172.db2.gz NEIOYQQTHUDAMP-QGZVFWFLSA-N 1 0 303.409 3.340 10 0 DGAERO CCOC(=O)c1ccc([C@@H]2CCN(CC[NH3+])c3ccccc32)cc1 ZINC000616676484 400200667 /nfs/dbraw/zinc/20/06/67/400200667.db2.gz XOLHCVKKAXJCSW-KRWDZBQOSA-N 1 0 324.424 3.164 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cccc2ncccc21 ZINC000616679992 400201942 /nfs/dbraw/zinc/20/19/42/400201942.db2.gz JJACXKXUMMIGBS-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1nccc2ccccc21 ZINC000616685412 400204091 /nfs/dbraw/zinc/20/40/91/400204091.db2.gz UIPMQQSAKNMGQO-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO C[N@@H+]1CCO[C@H](c2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000616686967 400204174 /nfs/dbraw/zinc/20/41/74/400204174.db2.gz NIPDAJQMKZQSTQ-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CC[N@H+](C)CCO2)cc1 ZINC000616687398 400204196 /nfs/dbraw/zinc/20/41/96/400204196.db2.gz XILAQEIRLAOOJU-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO CCC[N@@H+]1CC[C@@H](NCc2ccsc2Br)C1 ZINC000388540295 400267412 /nfs/dbraw/zinc/26/74/12/400267412.db2.gz VBURITKITHZTPI-LLVKDONJSA-N 1 0 303.269 3.085 10 0 DGAERO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccsc1Br ZINC000388979379 400268111 /nfs/dbraw/zinc/26/81/11/400268111.db2.gz OEYBICFNNFWSFR-SNVBAGLBSA-N 1 0 305.285 3.329 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000389416124 400269897 /nfs/dbraw/zinc/26/98/97/400269897.db2.gz MLIHJLLHEQTOIB-GBIKHYSHSA-N 1 0 304.217 3.121 10 0 DGAERO C[N@H+](CCNC(=O)CCc1ccccc1F)C1CCCCC1 ZINC000068906874 400299716 /nfs/dbraw/zinc/29/97/16/400299716.db2.gz HXCABSPEYVRQSA-UHFFFAOYSA-N 1 0 306.425 3.139 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C)cc2)s1 ZINC000102773667 400303423 /nfs/dbraw/zinc/30/34/23/400303423.db2.gz WPWGFQWIRRSDOC-HNNXBMFYSA-N 1 0 305.443 3.237 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000104076456 400311636 /nfs/dbraw/zinc/31/16/36/400311636.db2.gz QVMAOKRWTIDYBR-UHFFFAOYSA-N 1 0 306.425 3.489 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105073836 400318883 /nfs/dbraw/zinc/31/88/83/400318883.db2.gz IJFRRMUAXMBNQY-UHFFFAOYSA-N 1 0 321.465 3.466 10 0 DGAERO c1c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)[nH]nc1-c1ccccc1 ZINC000093866335 400259050 /nfs/dbraw/zinc/25/90/50/400259050.db2.gz ZJJJIIBKAXEHKL-GOSISDBHSA-N 1 0 320.396 3.125 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ncccc1C)c1ccccc1 ZINC000611404721 400394395 /nfs/dbraw/zinc/39/43/95/400394395.db2.gz BWCORVCFEODRAW-QGZVFWFLSA-N 1 0 312.413 3.420 10 0 DGAERO CC[C@@H]1CC(=O)C[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000034347851 400385794 /nfs/dbraw/zinc/38/57/94/400385794.db2.gz HSFSYZUOSHXZCR-NWTFUFRBSA-N 1 0 313.441 3.199 10 0 DGAERO O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917468 400394864 /nfs/dbraw/zinc/39/48/64/400394864.db2.gz DSOJDXWRLCODAM-IUODEOHRSA-N 1 0 307.825 3.336 10 0 DGAERO CCCOc1cccc(CNC(=O)C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000114474027 400387604 /nfs/dbraw/zinc/38/76/04/400387604.db2.gz FWIKIKLOCUGALS-CQSZACIVSA-N 1 0 306.450 3.116 10 0 DGAERO COCCc1ccc([C@H]([NH3+])c2cncc(Br)c2)cc1 ZINC000034957919 400387802 /nfs/dbraw/zinc/38/78/02/400387802.db2.gz AIDLKGYXHPGSEY-HNNXBMFYSA-N 1 0 321.218 3.081 10 0 DGAERO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NCC1CCC1 ZINC000108851933 400348956 /nfs/dbraw/zinc/34/89/56/400348956.db2.gz LSNQXWDLFUCBCK-QGZVFWFLSA-N 1 0 306.837 3.297 10 0 DGAERO C[C@H]([NH3+])CCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000070317684 400353468 /nfs/dbraw/zinc/35/34/68/400353468.db2.gz FZGYSDDQDJRLQD-MEDUHNTESA-N 1 0 306.406 3.220 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)c2ccncc2)C[C@@H]1C ZINC000611218104 400360700 /nfs/dbraw/zinc/36/07/00/400360700.db2.gz NMYGAQGFPIFXOC-NXNVCVFFSA-N 1 0 304.434 3.143 10 0 DGAERO CCC(CC)(CNC(=O)[C@@H](C)COC)[NH2+][C@H](C)c1ccccc1 ZINC000111634872 400366311 /nfs/dbraw/zinc/36/63/11/400366311.db2.gz KAORJPJIBVSMKV-JKSUJKDBSA-N 1 0 320.477 3.295 10 0 DGAERO c1cc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)on1 ZINC000072711815 400400120 /nfs/dbraw/zinc/40/01/20/400400120.db2.gz NQRVNEIMKGUYLR-UHFFFAOYSA-N 1 0 307.397 3.146 10 0 DGAERO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000041111061 400402851 /nfs/dbraw/zinc/40/28/51/400402851.db2.gz KFZSQGPWTIKIDR-RHSMWYFYSA-N 1 0 306.425 3.166 10 0 DGAERO O=C(Nc1ccc([C@@H]2CCC[NH2+]C2)cc1)c1ccc(Cl)nc1 ZINC000117719901 400420699 /nfs/dbraw/zinc/42/06/99/400420699.db2.gz GHEDPALXZWOZDC-CYBMUJFWSA-N 1 0 315.804 3.454 10 0 DGAERO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)nc1)c1ccc(Cl)cc1 ZINC000117724605 400420847 /nfs/dbraw/zinc/42/08/47/400420847.db2.gz ABRIYQXZDGDZAN-GFCCVEGCSA-N 1 0 301.777 3.064 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C)[nH]1 ZINC000590717052 400421697 /nfs/dbraw/zinc/42/16/97/400421697.db2.gz YMEQJHVTKYNFHZ-KRWDZBQOSA-N 1 0 317.477 3.360 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000590862162 400449834 /nfs/dbraw/zinc/44/98/34/400449834.db2.gz UGZGOVANADDBBK-IAGOWNOFSA-N 1 0 321.509 3.330 10 0 DGAERO COc1ccc(C[NH2+]Cc2cccnc2C)cc1OC(F)F ZINC000590880863 400453856 /nfs/dbraw/zinc/45/38/56/400453856.db2.gz YLMJAZSJVBIOJO-UHFFFAOYSA-N 1 0 308.328 3.290 10 0 DGAERO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1cccs1 ZINC000043291233 400462153 /nfs/dbraw/zinc/46/21/53/400462153.db2.gz VJGDGDBGAKSANL-KGLIPLIRSA-N 1 0 309.479 3.373 10 0 DGAERO CC(C)c1cccc(OCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000124402934 400475681 /nfs/dbraw/zinc/47/56/81/400475681.db2.gz ULOSTVRLLJEZFH-DOTOQJQBSA-N 1 0 318.461 3.130 10 0 DGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCc1cccc2ccccc21 ZINC000124504450 400477315 /nfs/dbraw/zinc/47/73/15/400477315.db2.gz IUDBLZIGIYLYCD-QAPCUYQASA-N 1 0 310.441 3.358 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C[C@@H]2CCCCO2)C2CC2)c1 ZINC000045784056 400535800 /nfs/dbraw/zinc/53/58/00/400535800.db2.gz KBJFJAHBARVTNI-KRWDZBQOSA-N 1 0 305.418 3.237 10 0 DGAERO CC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)c1nccs1 ZINC000130643048 400541978 /nfs/dbraw/zinc/54/19/78/400541978.db2.gz PWZDQOQRQOXUDT-UONOGXRCSA-N 1 0 303.431 3.013 10 0 DGAERO c1ccc(CCC[N@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)cc1 ZINC000047613477 400624695 /nfs/dbraw/zinc/62/46/95/400624695.db2.gz LJWNNIVAUZDIIZ-KDURUIRLSA-N 1 0 303.446 3.279 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000075510624 400590124 /nfs/dbraw/zinc/59/01/24/400590124.db2.gz MHVNTFNECCYASJ-BEFAXECRSA-N 1 0 308.425 3.457 10 0 DGAERO O=c1[nH]c(Nc2cccc([C@@H]3CCC[NH2+]C3)c2)nc2ccccc21 ZINC000147363540 400651744 /nfs/dbraw/zinc/65/17/44/400651744.db2.gz JREIBNNYZQVJDO-CQSZACIVSA-N 1 0 320.396 3.134 10 0 DGAERO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000148827365 400658015 /nfs/dbraw/zinc/65/80/15/400658015.db2.gz POJQCEIJSJPWMX-LPHOPBHVSA-N 1 0 316.445 3.423 10 0 DGAERO C[NH+](C)C1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 ZINC000076594745 400664201 /nfs/dbraw/zinc/66/42/01/400664201.db2.gz KUOBVKASEGVWBW-UHFFFAOYSA-N 1 0 308.853 3.170 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC[NH+]2CCCC2)cc1 ZINC000076944113 400680434 /nfs/dbraw/zinc/68/04/34/400680434.db2.gz DKEXUVOBGSLMMF-ROUUACIJSA-N 1 0 300.446 3.126 10 0 DGAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1cc(Br)c(Br)o1 ZINC000050358770 400684660 /nfs/dbraw/zinc/68/46/60/400684660.db2.gz WDQUTQGJDZBGCS-JKUQZMGJSA-N 1 0 309.001 3.255 10 0 DGAERO CCC[C@H](CC1CCCC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000603446090 400688377 /nfs/dbraw/zinc/68/83/77/400688377.db2.gz DHXXRSQUNCGWMJ-MRXNPFEDSA-N 1 0 320.481 3.380 10 0 DGAERO Cc1cn2c(C[NH2+]C[C@@](C)(O)CCC(C)C)c(C)nc2s1 ZINC000077456222 400718858 /nfs/dbraw/zinc/71/88/58/400718858.db2.gz FYEQFHGWJOCRPP-INIZCTEOSA-N 1 0 309.479 3.289 10 0 DGAERO CC(C)[N@@H+](CCOc1c(Cl)cccc1Cl)C[C@@H](C)O ZINC000592976294 400723450 /nfs/dbraw/zinc/72/34/50/400723450.db2.gz HWJCOJZAOSMNJW-LLVKDONJSA-N 1 0 306.233 3.463 10 0 DGAERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000052659180 400742922 /nfs/dbraw/zinc/74/29/22/400742922.db2.gz QBTTVVAYOIGNLS-ZIAGYGMSSA-N 1 0 319.449 3.083 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)[nH]1 ZINC000603689693 400709281 /nfs/dbraw/zinc/70/92/81/400709281.db2.gz VWWBSOUHVNGSTQ-DOTOQJQBSA-N 1 0 317.477 3.358 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC3CC3)cc2)C1 ZINC000172229982 400816257 /nfs/dbraw/zinc/81/62/57/400816257.db2.gz SOHJQNHWLFDIRU-INIZCTEOSA-N 1 0 317.433 3.081 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)CSc2ccc(C(C)(C)C)cc2)C1 ZINC000170856653 400777394 /nfs/dbraw/zinc/77/73/94/400777394.db2.gz MCCFKEQVMTYJHO-OAHLLOKOSA-N 1 0 320.502 3.239 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000170858254 400777551 /nfs/dbraw/zinc/77/75/51/400777551.db2.gz FQBPRUZLBAOCBP-MRXNPFEDSA-N 1 0 320.864 3.314 10 0 DGAERO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170865338 400777777 /nfs/dbraw/zinc/77/77/77/400777777.db2.gz LVIFJGYVGUXDLF-HOTGVXAUSA-N 1 0 318.461 3.048 10 0 DGAERO Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864574 400778151 /nfs/dbraw/zinc/77/81/51/400778151.db2.gz AUARLILWWUGSNO-GFCCVEGCSA-N 1 0 306.406 3.125 10 0 DGAERO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C2(CO)CC2)cc1 ZINC000180053275 400881547 /nfs/dbraw/zinc/88/15/47/400881547.db2.gz KIHLUDMGJAXRMP-MRXNPFEDSA-N 1 0 303.446 3.467 10 0 DGAERO O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C1(c2cccs2)CCCCC1 ZINC000172349707 400822788 /nfs/dbraw/zinc/82/27/88/400822788.db2.gz VCEUPBRFIXFRQU-OAHLLOKOSA-N 1 0 318.486 3.257 10 0 DGAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccc(Br)cc1 ZINC000054686276 400834996 /nfs/dbraw/zinc/83/49/96/400834996.db2.gz ZJTALAYYEJWHLM-CABCVRRESA-N 1 0 306.203 3.053 10 0 DGAERO c1coc(-c2nnc(C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)o2)c1 ZINC000173837636 400849700 /nfs/dbraw/zinc/84/97/00/400849700.db2.gz UYZKGSZMCKVAMA-AWEZNQCLSA-N 1 0 317.389 3.253 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]C[C@H](O)CCC(C)C)c1ccccc1 ZINC000619511200 400858954 /nfs/dbraw/zinc/85/89/54/400858954.db2.gz YZHJRQIMGYAJSV-SJORKVTESA-N 1 0 321.461 3.314 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000056778587 400946651 /nfs/dbraw/zinc/94/66/51/400946651.db2.gz NIRXWFAPZZZAFN-INIZCTEOSA-N 1 0 317.477 3.429 10 0 DGAERO [NH3+]CC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 ZINC000217884589 400950989 /nfs/dbraw/zinc/95/09/89/400950989.db2.gz QFKLLNLZLSLDSN-UHFFFAOYSA-N 1 0 317.216 3.301 10 0 DGAERO Cc1ccc(-c2ncc(C[NH2+]CCN3CC=C(C)CC3)s2)o1 ZINC000358169077 285988589 /nfs/dbraw/zinc/98/85/89/285988589.db2.gz QMSWPBNVMLWFSO-UHFFFAOYSA-N 1 0 317.458 3.453 10 0 DGAERO C[C@@H](NC(=O)CC/C=C/c1ccccc1)C1CC[NH+](C)CC1 ZINC000606371589 400903867 /nfs/dbraw/zinc/90/38/67/400903867.db2.gz HEVPVQCHPTVZCD-VGZDNEPHSA-N 1 0 300.446 3.327 10 0 DGAERO COc1cccnc1-c1ccnc2[nH]c(C3CC[NH2+]CC3)cc21 ZINC000220405896 400953285 /nfs/dbraw/zinc/95/32/85/400953285.db2.gz SDRLTBJZPCHNNR-UHFFFAOYSA-N 1 0 308.385 3.101 10 0 DGAERO CCc1nc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)sc1C ZINC000246037256 401018751 /nfs/dbraw/zinc/01/87/51/401018751.db2.gz NCXQNIRUAILDER-OLZOCXBDSA-N 1 0 322.478 3.104 10 0 DGAERO CN(C(=O)c1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000226457882 400960439 /nfs/dbraw/zinc/96/04/39/400960439.db2.gz DROXXTVOXITCJO-SNVBAGLBSA-N 1 0 301.217 3.208 10 0 DGAERO CN(C(=O)c1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000226457888 400961658 /nfs/dbraw/zinc/96/16/58/400961658.db2.gz DROXXTVOXITCJO-JTQLQIEISA-N 1 0 301.217 3.208 10 0 DGAERO Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])sc1C ZINC000227720888 400963172 /nfs/dbraw/zinc/96/31/72/400963172.db2.gz BYORGGWUQCZVIZ-OAHLLOKOSA-N 1 0 300.427 3.063 10 0 DGAERO [NH3+]C[C@@H]1C[C@H]1c1cc(Br)c(Br)s1 ZINC000227955314 400963335 /nfs/dbraw/zinc/96/33/35/400963335.db2.gz ZAEBCWYFRWWGED-CRCLSJGQSA-N 1 0 311.042 3.335 10 0 DGAERO [NH3+]C[C@H]1C[C@H]1c1cc(Br)c(Br)s1 ZINC000227955323 400963584 /nfs/dbraw/zinc/96/35/84/400963584.db2.gz ZAEBCWYFRWWGED-RFZPGFLSSA-N 1 0 311.042 3.335 10 0 DGAERO C[C@H](CNC(=O)N(C)Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000057039409 400967669 /nfs/dbraw/zinc/96/76/69/400967669.db2.gz GVFVRJGACCZWQS-OAHLLOKOSA-N 1 0 321.440 3.089 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(C(C)(C)C)cs1 ZINC000245972812 401017855 /nfs/dbraw/zinc/01/78/55/401017855.db2.gz FXMCCOAWGISJNI-KBPBESRZSA-N 1 0 307.507 3.499 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000247283179 401050078 /nfs/dbraw/zinc/05/00/78/401050078.db2.gz GAVMRCCPARGTSE-AEFFLSMTSA-N 1 0 302.462 3.116 10 0 DGAERO c1cnn(Cc2cccc(-c3cccc([C@@H]4COCC[NH2+]4)c3)c2)c1 ZINC000629706769 401050443 /nfs/dbraw/zinc/05/04/43/401050443.db2.gz CNDYMASPCOBFJZ-FQEVSTJZSA-N 1 0 319.408 3.259 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]CCN1CC=C(C)CC1)CCC2 ZINC000358216691 286000137 /nfs/dbraw/zinc/00/01/37/286000137.db2.gz ACNDOGHTSFKUNN-IBGZPJMESA-N 1 0 300.446 3.314 10 0 DGAERO CC[NH+](CC)CCCN1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000249101352 401081792 /nfs/dbraw/zinc/08/17/92/401081792.db2.gz UUFPUTKUQGWCDO-MAUKXSAKSA-N 1 0 308.441 3.319 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000246194368 401022436 /nfs/dbraw/zinc/02/24/36/401022436.db2.gz JSKGNNSFNQHZHY-RKVPGOIHSA-N 1 0 315.461 3.269 10 0 DGAERO C[C@H]([NH2+]Cc1ccn(C)n1)[C@H](C)c1nc2ccccc2s1 ZINC000358234555 286006196 /nfs/dbraw/zinc/00/61/96/286006196.db2.gz HBBCMDCGFILGJO-RYUDHWBXSA-N 1 0 300.431 3.312 10 0 DGAERO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000261401870 401112019 /nfs/dbraw/zinc/11/20/19/401112019.db2.gz SGGLCUIVKXUSOF-AEFFLSMTSA-N 1 0 310.441 3.103 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)C1 ZINC000262324201 401116679 /nfs/dbraw/zinc/11/66/79/401116679.db2.gz WRAMOXVUMZGKEL-HCXYKTFWSA-N 1 0 314.473 3.422 10 0 DGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000358234553 286006116 /nfs/dbraw/zinc/00/61/16/286006116.db2.gz HBBCMDCGFILGJO-NEPJUHHUSA-N 1 0 300.431 3.312 10 0 DGAERO c1ccc([C@@H]2C[N@@H+](CCOC3CCOCC3)[C@H]3CCC[C@@H]23)cc1 ZINC000625424328 401124873 /nfs/dbraw/zinc/12/48/73/401124873.db2.gz IFGWQSHSXXMIJZ-UFYCRDLUSA-N 1 0 315.457 3.450 10 0 DGAERO COc1cc(F)c([C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000358230124 286004776 /nfs/dbraw/zinc/00/47/76/286004776.db2.gz RWWUBKOMQRYKFE-CQSZACIVSA-N 1 0 322.424 3.146 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cc3cccc(F)c3o2)CC1 ZINC000607927647 401150764 /nfs/dbraw/zinc/15/07/64/401150764.db2.gz KALYXXKAJWTDGM-UHFFFAOYSA-N 1 0 318.392 3.424 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cc3ccsc3[nH]2)CC1 ZINC000607927601 401151215 /nfs/dbraw/zinc/15/12/15/401151215.db2.gz HXTDAMIVUSEIIR-UHFFFAOYSA-N 1 0 305.447 3.081 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000358237095 286007079 /nfs/dbraw/zinc/00/70/79/286007079.db2.gz MHZKPLWEGQLNPQ-HNNXBMFYSA-N 1 0 304.434 3.006 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000358239990 286008000 /nfs/dbraw/zinc/00/80/00/286008000.db2.gz QBEAOFHJUVMFJR-INIZCTEOSA-N 1 0 318.461 3.315 10 0 DGAERO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1cn(C)nn1 ZINC000608056584 401177406 /nfs/dbraw/zinc/17/74/06/401177406.db2.gz JCGZWULYKCXDBC-LBPRGKRZSA-N 1 0 313.232 3.233 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CCCCO3)C2)cc1 ZINC000630074214 401176363 /nfs/dbraw/zinc/17/63/63/401176363.db2.gz GWPPOPQOHIUZRD-LSTHTHJFSA-N 1 0 314.473 3.450 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CCCCO3)C2)cc1 ZINC000630074213 401176719 /nfs/dbraw/zinc/17/67/19/401176719.db2.gz GWPPOPQOHIUZRD-AHRSYUTCSA-N 1 0 314.473 3.450 10 0 DGAERO Cc1ncccc1C[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000608068925 401181027 /nfs/dbraw/zinc/18/10/27/401181027.db2.gz MWPKUQRLXFLROW-GOSISDBHSA-N 1 0 306.413 3.197 10 0 DGAERO CCc1cnc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000608495356 401262725 /nfs/dbraw/zinc/26/27/25/401262725.db2.gz HQUPCRKNPKNMCC-INIZCTEOSA-N 1 0 305.466 3.325 10 0 DGAERO c1cc2c(cccc2N2CC[NH+](CCC[C@H]3CCOC3)CC2)[nH]1 ZINC000625979135 401271013 /nfs/dbraw/zinc/27/10/13/401271013.db2.gz PLQFMALAYQNOCB-INIZCTEOSA-N 1 0 313.445 3.107 10 0 DGAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncc(Br)cc1C(F)(F)F ZINC000630545229 401286211 /nfs/dbraw/zinc/28/62/11/401286211.db2.gz LWUXYLQVNWIYIF-IMTBSYHQSA-N 1 0 324.144 3.025 10 0 DGAERO c1ccc(COc2ccnc(N[C@H]3CC[N@@H+]4CCCC[C@H]34)n2)cc1 ZINC000089590465 401228114 /nfs/dbraw/zinc/22/81/14/401228114.db2.gz UTVSDSMQOVLEOQ-DLBZAZTESA-N 1 0 324.428 3.094 10 0 DGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000608359051 401232018 /nfs/dbraw/zinc/23/20/18/401232018.db2.gz GRZIEQFMXSLSLM-IJEWVQPXSA-N 1 0 322.399 3.057 10 0 DGAERO Cc1ccnc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000089651999 401234047 /nfs/dbraw/zinc/23/40/47/401234047.db2.gz WVCKCFLLWRZKHM-LSDHHAIUSA-N 1 0 302.809 3.296 10 0 DGAERO OCC[N@H+](CCOc1c(Cl)cccc1Cl)CC1CC1 ZINC000064516837 401241091 /nfs/dbraw/zinc/24/10/91/401241091.db2.gz FPLDLVJPZNTKMB-UHFFFAOYSA-N 1 0 304.217 3.077 10 0 DGAERO c1ccc(N2CCC([NH2+][C@@H](c3cccnc3)C3CC3)CC2)nc1 ZINC000358346275 286037949 /nfs/dbraw/zinc/03/79/49/286037949.db2.gz BNUFZGJOZHRNCE-LJQANCHMSA-N 1 0 308.429 3.186 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000630579985 401291875 /nfs/dbraw/zinc/29/18/75/401291875.db2.gz ABVRJEHRNCTBET-RKDXNWHRSA-N 1 0 302.205 3.052 10 0 DGAERO c1c(-c2cccc(NCc3ccccc3)c2)nnn1[C@@H]1CC[NH2+]C1 ZINC000630595799 401294769 /nfs/dbraw/zinc/29/47/69/401294769.db2.gz ITOHSNXOXXEMLA-GOSISDBHSA-N 1 0 319.412 3.092 10 0 DGAERO c1cc(C[NH2+]CCCn2cnc3ccccc32)n(CC2CCC2)n1 ZINC000631035647 401374607 /nfs/dbraw/zinc/37/46/07/401374607.db2.gz NNRJOHZBOXOBGI-UHFFFAOYSA-N 1 0 323.444 3.213 10 0 DGAERO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n(CC2CCC2)n1 ZINC000631106271 401395639 /nfs/dbraw/zinc/39/56/39/401395639.db2.gz MXWYHDDPOVTAKA-RCCFBDPRSA-N 1 0 315.461 3.121 10 0 DGAERO Brc1ccccc1C1(NCC23CC(C2)C[NH2+]3)CCC1 ZINC000634996511 401397799 /nfs/dbraw/zinc/39/77/99/401397799.db2.gz LZZKOKDPMXFGFT-UHFFFAOYSA-N 1 0 321.262 3.170 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000631254029 401438635 /nfs/dbraw/zinc/43/86/35/401438635.db2.gz JJABWCAGHFIWDB-JYJNAYRXSA-N 1 0 322.474 3.432 10 0 DGAERO c1cc(N2CCCC2)ncc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000631255391 401439249 /nfs/dbraw/zinc/43/92/49/401439249.db2.gz PWCJSCBEUNLZDI-PKOBYXMFSA-N 1 0 315.461 3.119 10 0 DGAERO c1cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)n(CC2CCC2)n1 ZINC000631256976 401439894 /nfs/dbraw/zinc/43/98/94/401439894.db2.gz YKJGKCNMNIQFEH-ZWKOTPCHSA-N 1 0 303.450 3.121 10 0 DGAERO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(Br)cc1 ZINC000631697307 401539254 /nfs/dbraw/zinc/53/92/54/401539254.db2.gz XFYIIHUDHZOAQW-KWQFWETISA-N 1 0 308.166 3.116 10 0 DGAERO c1ccc([C@@H]2CO[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631646285 401522334 /nfs/dbraw/zinc/52/23/34/401522334.db2.gz KOAIMTKIUYRFTG-VMXHOPILSA-N 1 0 313.441 3.106 10 0 DGAERO c1cc(-c2nc(CN3CCC[C@H]4C[NH2+]CC[C@H]43)cs2)cs1 ZINC000631888102 401563959 /nfs/dbraw/zinc/56/39/59/401563959.db2.gz UFKRSUHEEIPZKM-SWLSCSKDSA-N 1 0 319.499 3.446 10 0 DGAERO O[C@@H](CC[NH2+]Cc1c(F)ccc(F)c1Cl)C(F)(F)F ZINC000628279093 401566264 /nfs/dbraw/zinc/56/62/64/401566264.db2.gz UCSFMCAWTBJOBK-VIFPVBQESA-N 1 0 303.658 3.021 10 0 DGAERO C(c1nc(C2CCC2)no1)C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000628457310 401599463 /nfs/dbraw/zinc/59/94/63/401599463.db2.gz MNMDLNVLNRHSSU-AWEZNQCLSA-N 1 0 321.490 3.345 10 0 DGAERO CCC(F)(F)C(C)(C)C[NH2+]Cc1c(Br)cnn1C ZINC000623698194 401569102 /nfs/dbraw/zinc/56/91/02/401569102.db2.gz RHXHZRVPUJPGLC-UHFFFAOYSA-N 1 0 324.213 3.344 10 0 DGAERO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)CO1 ZINC000623702071 401569896 /nfs/dbraw/zinc/56/98/96/401569896.db2.gz BLDQUHNTIKFEME-VHSXEESVSA-N 1 0 320.177 3.384 10 0 DGAERO Fc1c(Br)cccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000623754477 401576558 /nfs/dbraw/zinc/57/65/58/401576558.db2.gz OVTLEMAQXSYULX-AAEUAGOBSA-N 1 0 314.198 3.245 10 0 DGAERO c1ccc(OCc2ccncc2)c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000623753409 401576567 /nfs/dbraw/zinc/57/65/67/401576567.db2.gz YKUYCBSJDQICMD-UYAOXDASSA-N 1 0 324.424 3.318 10 0 DGAERO c1ccc(OCc2ccncc2)c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000623753406 401576632 /nfs/dbraw/zinc/57/66/32/401576632.db2.gz YKUYCBSJDQICMD-AZUAARDMSA-N 1 0 324.424 3.318 10 0 DGAERO CO[C@@](C)(C[NH2+]C[C@]1(C)CCCS1)COCc1ccccc1 ZINC000628337950 401578437 /nfs/dbraw/zinc/57/84/37/401578437.db2.gz VQFJWRCYRKZPFH-ROUUACIJSA-N 1 0 323.502 3.484 10 0 DGAERO CC(=O)N(c1nc(C[NH2+]C[C@H]2CCCC23CC3)cs1)C1CC1 ZINC000623824561 401583321 /nfs/dbraw/zinc/58/33/21/401583321.db2.gz JHDQBMJLVBCGSJ-CYBMUJFWSA-N 1 0 319.474 3.328 10 0 DGAERO c1ccc(N2CCOCC2)c(C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000623824826 401584030 /nfs/dbraw/zinc/58/40/30/401584030.db2.gz QARKDHORGCAKIK-KRWDZBQOSA-N 1 0 300.446 3.193 10 0 DGAERO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CCN1C1CCC1 ZINC000623840152 401585844 /nfs/dbraw/zinc/58/58/44/401585844.db2.gz QKJFYOSOHZOXCB-AWEZNQCLSA-N 1 0 313.228 3.236 10 0 DGAERO O[C@H](CC[NH2+][C@H]1CCc2c1cccc2Br)C(F)F ZINC000631703663 401540936 /nfs/dbraw/zinc/54/09/36/401540936.db2.gz UULNAKSARZTYPF-NWDGAFQWSA-N 1 0 320.177 3.042 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c2c(c1)COCC2 ZINC000631729094 401545916 /nfs/dbraw/zinc/54/59/16/401545916.db2.gz GTWVOIBRUGKINB-YZGWKJHDSA-N 1 0 315.457 3.444 10 0 DGAERO c1ccc(OCCCC[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000628454001 401598521 /nfs/dbraw/zinc/59/85/21/401598521.db2.gz GXWFAJIVQGRSLY-GOSISDBHSA-N 1 0 302.462 3.452 10 0 DGAERO c1sc(C2CC2)nc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623602205 401554030 /nfs/dbraw/zinc/55/40/30/401554030.db2.gz GZHIXWKNFFBAEE-INIZCTEOSA-N 1 0 300.427 3.252 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+]Cc1ccc3cnccc3c1)C2 ZINC000623602627 401554117 /nfs/dbraw/zinc/55/41/17/401554117.db2.gz YDYHFJGFHGEEHP-FQEVSTJZSA-N 1 0 304.393 3.466 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)C1 ZINC000624310365 401649109 /nfs/dbraw/zinc/64/91/09/401649109.db2.gz AOFQWFXMOYRBIQ-XMTFNYHQSA-N 1 0 303.446 3.385 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000624172243 401634443 /nfs/dbraw/zinc/63/44/43/401634443.db2.gz KGBJJLYVKZGLSD-WFASDCNBSA-N 1 0 317.260 3.365 10 0 DGAERO c1cc([C@H]2CCCCN2c2nc3ccccc3n3cncc23)n[nH]1 ZINC000624209895 401639270 /nfs/dbraw/zinc/63/92/70/401639270.db2.gz VPVDCVWRKANNSQ-MRXNPFEDSA-N 1 0 318.384 3.337 10 0 DGAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(Cl)c(Cl)c1Cl ZINC000624235879 401642387 /nfs/dbraw/zinc/64/23/87/401642387.db2.gz RHAOZYMXDXZALU-SWPVVBRQSA-N 1 0 324.635 3.447 10 0 DGAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(Cl)c(Cl)c1Cl ZINC000624235878 401642406 /nfs/dbraw/zinc/64/24/06/401642406.db2.gz RHAOZYMXDXZALU-BKDNQFJXSA-N 1 0 324.635 3.447 10 0 DGAERO CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1cn[nH]c1 ZINC000624241634 401643214 /nfs/dbraw/zinc/64/32/14/401643214.db2.gz PIXNBTZYHUZQPB-DHSIGJKJSA-N 1 0 314.433 3.186 10 0 DGAERO Cc1scc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1C ZINC000358553259 286091202 /nfs/dbraw/zinc/09/12/02/286091202.db2.gz NEBCBDKMZHAUNZ-INIZCTEOSA-N 1 0 316.470 3.268 10 0 DGAERO c1ccc(-c2ncc3c(n2)CC[C@H]([NH2+]Cc2ccncc2)C3)cc1 ZINC000624477334 401664203 /nfs/dbraw/zinc/66/42/03/401664203.db2.gz KIEDFUMLTPOPHO-SFHVURJKSA-N 1 0 316.408 3.186 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C2CCCC2)cc1 ZINC000188043557 292205673 /nfs/dbraw/zinc/20/56/73/292205673.db2.gz GPFRAUJQLYFUEC-MJGOQNOKSA-N 1 0 300.446 3.437 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCOCC1CC1 ZINC000358762639 286147073 /nfs/dbraw/zinc/14/70/73/286147073.db2.gz YVNZEJIEEAGZJW-SFHVURJKSA-N 1 0 311.429 3.266 10 0 DGAERO C[C@H](CSc1nc(C2CC2)nn1-c1ccccc1)[NH+](C)C ZINC000358869425 286173665 /nfs/dbraw/zinc/17/36/65/286173665.db2.gz XPXBNOYVISMADV-GFCCVEGCSA-N 1 0 302.447 3.187 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@@H]1CCCOCC1 ZINC000358962609 286199432 /nfs/dbraw/zinc/19/94/32/286199432.db2.gz HSFKZERADJHMFT-CRAIPNDOSA-N 1 0 311.429 3.408 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CCCOCC1 ZINC000358962611 286199489 /nfs/dbraw/zinc/19/94/89/286199489.db2.gz HSFKZERADJHMFT-QAPCUYQASA-N 1 0 311.429 3.408 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000359016431 286216050 /nfs/dbraw/zinc/21/60/50/286216050.db2.gz HAEHOFAAYMWOGB-BEFAXECRSA-N 1 0 318.436 3.433 10 0 DGAERO Cn1ccc([C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)c2ccc(F)cc2)n1 ZINC000359209211 286261500 /nfs/dbraw/zinc/26/15/00/286261500.db2.gz ILOFHPPOQCYYEX-WBVHZDCISA-N 1 0 317.408 3.196 10 0 DGAERO COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@H](CC(C)C)C[N@@H+]1CC2 ZINC000068045176 286260173 /nfs/dbraw/zinc/26/01/73/286260173.db2.gz WEQLWGNDNRARGE-HYVNUMGLSA-N 1 0 319.445 3.030 10 0 world DGAERO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)CCOC1 ZINC000359400478 286300135 /nfs/dbraw/zinc/30/01/35/286300135.db2.gz RAQXYVZUBGERDV-IINYFYTJSA-N 1 0 304.217 3.450 10 0 DGAERO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000248822316 286362456 /nfs/dbraw/zinc/36/24/56/286362456.db2.gz FYUAUGDMEIUSBT-SJORKVTESA-N 1 0 315.413 3.318 10 0 DGAERO CC(C)Cn1cc(C[NH2+]CCc2ccc3ccccc3n2)cn1 ZINC000359946310 286394618 /nfs/dbraw/zinc/39/46/18/286394618.db2.gz JJTRZGDRSYZJNL-UHFFFAOYSA-N 1 0 308.429 3.420 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)C12CCOCC2 ZINC000249006942 286405934 /nfs/dbraw/zinc/40/59/34/286405934.db2.gz OAYWJQBSPUTZFB-YESZJQIVSA-N 1 0 323.477 3.042 10 0 DGAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360044553 286413721 /nfs/dbraw/zinc/41/37/21/286413721.db2.gz GAWFVELCYIWJGB-JFIYKMOQSA-N 1 0 317.477 3.223 10 0 DGAERO Cc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360047766 286414508 /nfs/dbraw/zinc/41/45/08/286414508.db2.gz YNYUZWKNKVQKIK-LJQANCHMSA-N 1 0 323.440 3.004 10 0 DGAERO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000360826077 286539842 /nfs/dbraw/zinc/53/98/42/286539842.db2.gz RRBZJVDQNIXMPE-BMIGLBTASA-N 1 0 318.244 3.432 10 0 DGAERO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360975710 286567373 /nfs/dbraw/zinc/56/73/73/286567373.db2.gz PXCWQSMDUBYAIL-AWEZNQCLSA-N 1 0 315.417 3.017 10 0 DGAERO O=C1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)CN1c1ccccc1F ZINC000361190511 286620331 /nfs/dbraw/zinc/62/03/31/286620331.db2.gz ZEFXSKKVGYFMMQ-LZWOXQAQSA-N 1 0 302.393 3.099 10 0 DGAERO COC1(C[NH+]2CCC(Nc3nc(C)cs3)CC2)CCCC1 ZINC000361593698 286695108 /nfs/dbraw/zinc/69/51/08/286695108.db2.gz JHRCIFVVJMKRQU-UHFFFAOYSA-N 1 0 309.479 3.287 10 0 DGAERO Cc1ccc2ncc(CN3CCCC[C@@H]([NH+]4CCCC4)C3)n2c1 ZINC000092785914 292397889 /nfs/dbraw/zinc/39/78/89/292397889.db2.gz PDTZSZOXOFZAHW-QGZVFWFLSA-N 1 0 312.461 3.093 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)c1ccccc1)CCC2 ZINC000361965961 286751824 /nfs/dbraw/zinc/75/18/24/286751824.db2.gz JHUTYPRYDXTVQM-YLJYHZDGSA-N 1 0 311.425 3.438 10 0 DGAERO C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000262325885 286760667 /nfs/dbraw/zinc/76/06/67/286760667.db2.gz DGMSOXYPCXGEPN-QRWLVFNGSA-N 1 0 320.436 3.016 10 0 DGAERO CC[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)O1 ZINC000362533092 286824160 /nfs/dbraw/zinc/82/41/60/286824160.db2.gz DVTBAZMAZWZTKB-KSZLIROESA-N 1 0 322.493 3.059 10 0 DGAERO CC1(C)[C@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@H]2CCO[C@H]21 ZINC000364077218 286985388 /nfs/dbraw/zinc/98/53/88/286985388.db2.gz YDZNWLZDLBWKLS-NHHFINERSA-N 1 0 301.430 3.137 10 0 DGAERO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364434216 287025995 /nfs/dbraw/zinc/02/59/95/287025995.db2.gz LWFMQXLEZWNATQ-KRWDZBQOSA-N 1 0 312.413 3.331 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CCO1 ZINC000364437473 287026292 /nfs/dbraw/zinc/02/62/92/287026292.db2.gz ARCHHHQLDIAZFH-QRQLOZEOSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CCO1 ZINC000364437471 287026325 /nfs/dbraw/zinc/02/63/25/287026325.db2.gz ARCHHHQLDIAZFH-NEWSRXKRSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000364458799 287029451 /nfs/dbraw/zinc/02/94/51/287029451.db2.gz PEAXHQYIIVLNIE-FXAWDEMLSA-N 1 0 316.489 3.446 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(C)C(C1CC1)C1CC1)CC2 ZINC000364538546 287037595 /nfs/dbraw/zinc/03/75/95/287037595.db2.gz FBTNTDIXVPPPBD-AWEZNQCLSA-N 1 0 315.461 3.285 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)[C@H]1COc2ccccc21 ZINC000162968836 287046622 /nfs/dbraw/zinc/04/66/22/287046622.db2.gz ALMWOIBRZNFJDX-JKIFEVAISA-N 1 0 310.397 3.168 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N1CCc2ccccc2C1 ZINC000172170858 287046870 /nfs/dbraw/zinc/04/68/70/287046870.db2.gz BRMBCAHRZPLQMW-LSDHHAIUSA-N 1 0 300.446 3.128 10 0 DGAERO c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173906176 164710434 /nfs/dbraw/zinc/71/04/34/164710434.db2.gz KVWFRCURSFUUSN-FQEVSTJZSA-N 1 0 324.468 3.179 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000174228763 164722209 /nfs/dbraw/zinc/72/22/09/164722209.db2.gz GXBYQEJTKRNMTL-MRXNPFEDSA-N 1 0 317.477 3.137 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)c(F)c1 ZINC000177503980 164808303 /nfs/dbraw/zinc/80/83/03/164808303.db2.gz KXAFPPNGEGBODI-HUUCEWRRSA-N 1 0 305.397 3.225 10 0 DGAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)C3CCC3)C2)c1 ZINC000178443175 164837978 /nfs/dbraw/zinc/83/79/78/164837978.db2.gz CKVXTZAFTHJGES-LSDHHAIUSA-N 1 0 318.461 3.308 10 0 DGAERO C[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)N1CCOCC1 ZINC000179995363 164872155 /nfs/dbraw/zinc/87/21/55/164872155.db2.gz AVKRHFQKDFFDCT-SUMWQHHRSA-N 1 0 308.853 3.101 10 0 DGAERO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000183016675 164946102 /nfs/dbraw/zinc/94/61/02/164946102.db2.gz QHKUKMWYJDIZKA-HDMKZQKVSA-N 1 0 318.461 3.383 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185250933 164997597 /nfs/dbraw/zinc/99/75/97/164997597.db2.gz PJKYLVPAXUKSLJ-IRXDYDNUSA-N 1 0 307.482 3.151 10 0 DGAERO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185592333 165008939 /nfs/dbraw/zinc/00/89/39/165008939.db2.gz OTULKKJESLHDSN-UXLLHSPISA-N 1 0 318.461 3.034 10 0 DGAERO Cc1ccccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185596158 165009999 /nfs/dbraw/zinc/00/99/99/165009999.db2.gz HKVCFTCOIVGYSB-WBVHZDCISA-N 1 0 324.424 3.478 10 0 DGAERO C[C@@H](C(=O)NC1CCCCC1)N1Cc2ccccc2C2(CC2)C1 ZINC000186157878 165029012 /nfs/dbraw/zinc/02/90/12/165029012.db2.gz YESIZBHJCYRFEI-HNNXBMFYSA-N 1 0 312.457 3.371 10 0 DGAERO CCSc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000186152466 165029547 /nfs/dbraw/zinc/02/95/47/165029547.db2.gz TYRMACYOPDLYIU-MRXNPFEDSA-N 1 0 316.474 3.302 10 0 DGAERO COC(=O)c1cc(CN2Cc3ccccc3C3(CC3)C2)oc1C ZINC000186174958 165030737 /nfs/dbraw/zinc/03/07/37/165030737.db2.gz AFUBABJSNCEDOX-UHFFFAOYSA-N 1 0 311.381 3.422 10 0 DGAERO CN(Cc1ccccc1)C(=O)CN1Cc2ccccc2C2(CC2)C1 ZINC000186172769 165030860 /nfs/dbraw/zinc/03/08/60/165030860.db2.gz KJQUXOJRBITICC-UHFFFAOYSA-N 1 0 320.436 3.192 10 0 DGAERO CCSc1cccc(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000186200127 165032516 /nfs/dbraw/zinc/03/25/16/165032516.db2.gz ONOVUSXCCKZJLT-UHFFFAOYSA-N 1 0 302.447 3.227 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)C12CCOCC2 ZINC000186259005 165035405 /nfs/dbraw/zinc/03/54/05/165035405.db2.gz ZDNIMKXVWMZJHO-UNQWWWNPSA-N 1 0 319.445 3.467 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nc(C)cs2)C12CCOCC2 ZINC000186313113 165037770 /nfs/dbraw/zinc/03/77/70/165037770.db2.gz MIELAFXNFNDLMS-MELADBBJSA-N 1 0 310.463 3.076 10 0 DGAERO Cc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c(Cl)cc1F ZINC000186504702 165046927 /nfs/dbraw/zinc/04/69/27/165046927.db2.gz JTTWFBWCRBSNSQ-LLVKDONJSA-N 1 0 310.800 3.144 10 0 DGAERO CCOC(=O)C[C@@](C)([NH2+]Cc1ncc(C)c(OC)c1C)C(C)C ZINC000186680450 165054090 /nfs/dbraw/zinc/05/40/90/165054090.db2.gz BZKFWALQVMUYAB-GOSISDBHSA-N 1 0 322.449 3.165 10 0 DGAERO O=C(CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)c1ccc(F)cc1F ZINC000186690221 165054121 /nfs/dbraw/zinc/05/41/21/165054121.db2.gz XHLBYLDJCYVQCH-GFCCVEGCSA-N 1 0 319.355 3.140 10 0 DGAERO CCOC(=O)C[C@](C)([NH2+]Cc1nc2cc(F)ccc2o1)C(C)C ZINC000186681552 165055252 /nfs/dbraw/zinc/05/52/52/165055252.db2.gz ODUMKYBEIZIFFV-KRWDZBQOSA-N 1 0 322.380 3.424 10 0 DGAERO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000186897440 165066067 /nfs/dbraw/zinc/06/60/67/165066067.db2.gz UQZLYYHVGORHGG-RDTXWAMCSA-N 1 0 317.477 3.215 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(c3ccsc3)CC2)C1 ZINC000186990072 165070928 /nfs/dbraw/zinc/07/09/28/165070928.db2.gz XMHILYRMCKPSLY-INIZCTEOSA-N 1 0 321.490 3.121 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCSCC1)c1cn(-c2ccccc2)nn1 ZINC000187370231 165089279 /nfs/dbraw/zinc/08/92/79/165089279.db2.gz NXXPPPXPQSPGHP-ZIAGYGMSSA-N 1 0 316.474 3.450 10 0 DGAERO Cc1ccccc1SCC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187998370 165109711 /nfs/dbraw/zinc/10/97/11/165109711.db2.gz GCNIZLPCEUIVCF-UHFFFAOYSA-N 1 0 306.475 3.030 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000188091094 165113665 /nfs/dbraw/zinc/11/36/65/165113665.db2.gz SFRKGFXQWRTSSM-UONOGXRCSA-N 1 0 321.490 3.007 10 0 DGAERO C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(-c2cccnc2)cc1 ZINC000188257474 165118405 /nfs/dbraw/zinc/11/84/05/165118405.db2.gz DTYPIUDWDYAIEG-CYBMUJFWSA-N 1 0 321.380 3.291 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188617635 165130333 /nfs/dbraw/zinc/13/03/33/165130333.db2.gz QAGHZFJHKBSLEW-OALUTQOASA-N 1 0 312.457 3.220 10 0 DGAERO O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CC[NH+]2CCC1CC2 ZINC000188616633 165131214 /nfs/dbraw/zinc/13/12/14/165131214.db2.gz INDBQHHNJHFAJV-VQTJNVASSA-N 1 0 320.436 3.250 10 0 DGAERO CCC(CC)CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188984533 165145153 /nfs/dbraw/zinc/14/51/53/165145153.db2.gz VFRXLKDFEPJNCK-YOEHRIQHSA-N 1 0 324.415 3.353 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000189198036 165154175 /nfs/dbraw/zinc/15/41/75/165154175.db2.gz ZNTVJAUXZWWMEV-UHFFFAOYSA-N 1 0 321.465 3.033 10 0 DGAERO Cc1ccc2cc(C[NH2+][C@@H]3Cc4ccccc4[C@@H]3O)ccc2n1 ZINC000189344831 165159231 /nfs/dbraw/zinc/15/92/31/165159231.db2.gz IDGVZMBEQUWDFA-UXHICEINSA-N 1 0 304.393 3.291 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3ccc(F)nc3)C2)c1 ZINC000189437035 165161921 /nfs/dbraw/zinc/16/19/21/165161921.db2.gz JWSTXZZOYSPGAY-AWEZNQCLSA-N 1 0 316.376 3.227 10 0 DGAERO Cn1cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c(-c2cccs2)n1 ZINC000189714155 165174900 /nfs/dbraw/zinc/17/49/00/165174900.db2.gz DHPKHUWPOKBCCJ-ZDUSSCGKSA-N 1 0 305.447 3.196 10 0 DGAERO Cc1nc([C@@H]2CCCN2CC(=O)N(C)[C@@H](C)CC(C)C)cs1 ZINC000189801995 165176677 /nfs/dbraw/zinc/17/66/77/165176677.db2.gz ZWQFBBIERCOCSH-BBRMVZONSA-N 1 0 323.506 3.481 10 0 DGAERO c1csc(Cn2cccc2C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000190329363 165199318 /nfs/dbraw/zinc/19/93/18/165199318.db2.gz DPKQFMXWSKXPTN-BRWVUGGUSA-N 1 0 302.443 3.255 10 0 DGAERO CSC1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000190462202 165204550 /nfs/dbraw/zinc/20/45/50/165204550.db2.gz SKVGLROQKCDXBN-MRXNPFEDSA-N 1 0 318.486 3.053 10 0 DGAERO CCc1nnc(C2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)[nH]1 ZINC000190673759 165211066 /nfs/dbraw/zinc/21/10/66/165211066.db2.gz MOGSGVSBZCGBSK-LBPRGKRZSA-N 1 0 302.397 3.447 10 0 DGAERO CCn1cc([C@@H]2C[N@@H+]([C@@H](C)CCc3ccccc3)CCO2)cn1 ZINC000190732663 165213056 /nfs/dbraw/zinc/21/30/56/165213056.db2.gz WCKNGTYOXQKYBT-LPHOPBHVSA-N 1 0 313.445 3.298 10 0 DGAERO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000191063124 165228744 /nfs/dbraw/zinc/22/87/44/165228744.db2.gz NBMFAODBZVHLJB-WBVHZDCISA-N 1 0 300.402 3.030 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1csc(Cl)c1 ZINC000191309376 165241855 /nfs/dbraw/zinc/24/18/55/165241855.db2.gz MPKLVURPIBDCPI-WCQYABFASA-N 1 0 324.881 3.455 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1csc(Cl)c1 ZINC000191309394 165242638 /nfs/dbraw/zinc/24/26/38/165242638.db2.gz MPKLVURPIBDCPI-DGCLKSJQSA-N 1 0 324.881 3.455 10 0 DGAERO CCn1cc(C2CC[NH+](C[C@H](O)C3CCCCC3)CC2)cn1 ZINC000191323720 165244490 /nfs/dbraw/zinc/24/44/90/165244490.db2.gz ATFFRROXQXCFKS-SFHVURJKSA-N 1 0 305.466 3.024 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1nccn1-c1ccccc1 ZINC000191470129 165252725 /nfs/dbraw/zinc/25/27/25/165252725.db2.gz CTKMUNGWMUVAFH-GOSISDBHSA-N 1 0 312.461 3.082 10 0 DGAERO c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc(OCC3CC3)cc2)cn1 ZINC000191490654 165255407 /nfs/dbraw/zinc/25/54/07/165255407.db2.gz DWGKZOHNHYWWIQ-SFHVURJKSA-N 1 0 311.429 3.337 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cn1 ZINC000191493303 165256018 /nfs/dbraw/zinc/25/60/18/165256018.db2.gz ARCSAXUQVMFRBT-UYAOXDASSA-N 1 0 324.472 3.073 10 0 DGAERO CC[NH+](CC)CCCN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000191603709 165261010 /nfs/dbraw/zinc/26/10/10/165261010.db2.gz GFXMJQPWCJMPMA-GOSISDBHSA-N 1 0 308.441 3.239 10 0 DGAERO CCn1cc([C@@H]2C[N@H+](CC3CCC(C)(C)CC3)CCO2)cn1 ZINC000191698280 165264482 /nfs/dbraw/zinc/26/44/82/165264482.db2.gz HOVQRUSPXLBXDO-KRWDZBQOSA-N 1 0 305.466 3.493 10 0 DGAERO CC[C@H](C)CC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000191678634 165264837 /nfs/dbraw/zinc/26/48/37/165264837.db2.gz VUGXMICHFWTFFW-HNNXBMFYSA-N 1 0 303.450 3.203 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3cc(F)ccc3C)CC2)[nH]1 ZINC000191691766 165264922 /nfs/dbraw/zinc/26/49/22/165264922.db2.gz QVUXNVJOMFYAQC-UHFFFAOYSA-N 1 0 302.397 3.194 10 0 DGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC(F)(F)C(F)F)C1 ZINC000191770591 165268226 /nfs/dbraw/zinc/26/82/26/165268226.db2.gz FTTYWVIBVZFGMI-YPMHNXCESA-N 1 0 304.331 3.312 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000192149138 165283426 /nfs/dbraw/zinc/28/34/26/165283426.db2.gz DLOUWFYCAXNTOC-IBGZPJMESA-N 1 0 307.397 3.004 10 0 DGAERO Cc1coc(-c2cccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)c2)n1 ZINC000192499610 165295236 /nfs/dbraw/zinc/29/52/36/165295236.db2.gz CDVABSKEYRUWMC-IBGZPJMESA-N 1 0 321.380 3.463 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+]([C@H](C)c3nc(C)cc(=O)[nH]3)C2)n1 ZINC000192562449 165295942 /nfs/dbraw/zinc/29/59/42/165295942.db2.gz IYJWRLKFWAIRER-OLZOCXBDSA-N 1 0 318.446 3.196 10 0 DGAERO Cc1cc(=O)[nH]c([C@@H](C)N2CC=C(c3cccs3)CC2)n1 ZINC000192595629 165297959 /nfs/dbraw/zinc/29/79/59/165297959.db2.gz XNQXDSUDELUDGM-GFCCVEGCSA-N 1 0 301.415 3.402 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3c(C)csc32)[C@H](C)C1 ZINC000192621541 165298850 /nfs/dbraw/zinc/29/88/50/165298850.db2.gz OBHSSHQLKFLSDR-DGCLKSJQSA-N 1 0 304.463 3.166 10 0 DGAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cccc(Cl)c1 ZINC000192711000 165304452 /nfs/dbraw/zinc/30/44/52/165304452.db2.gz RAOQQTQRLFIGLY-ZDUSSCGKSA-N 1 0 316.836 3.450 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1F ZINC000192813599 165307874 /nfs/dbraw/zinc/30/78/74/165307874.db2.gz BGLGLWFRXNSPNX-TZMCWYRMSA-N 1 0 318.371 3.074 10 0 DGAERO CCCOc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000192985167 165314877 /nfs/dbraw/zinc/31/48/77/165314877.db2.gz MBNQGMNFGVSVBI-UHFFFAOYSA-N 1 0 305.422 3.033 10 0 DGAERO CCc1nc(C[NH2+]CCCc2ccc3c(c2)CCO3)cs1 ZINC000193290981 165322215 /nfs/dbraw/zinc/32/22/15/165322215.db2.gz KRDBMVAICHZYDQ-UHFFFAOYSA-N 1 0 302.443 3.363 10 0 DGAERO COc1ncccc1C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000193324765 165322912 /nfs/dbraw/zinc/32/29/12/165322912.db2.gz IOMPHKRMSICQRV-AWEZNQCLSA-N 1 0 303.431 3.235 10 0 DGAERO CC(C)[NH2+]CCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000193475666 165327517 /nfs/dbraw/zinc/32/75/17/165327517.db2.gz QBULJVMKLVAORA-NSHDSACASA-N 1 0 321.412 3.339 10 0 DGAERO COc1cc(C[NH2+]C[C@H]2CCN(C)c3ccccc32)ccc1O ZINC000193830580 165333432 /nfs/dbraw/zinc/33/34/32/165333432.db2.gz CJBUMSPUQCGTDI-OAHLLOKOSA-N 1 0 312.413 3.114 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]CC[C@@H](C)c1ccccc1)CC2 ZINC000194397280 165344664 /nfs/dbraw/zinc/34/46/64/165344664.db2.gz MCNBWLSAYVYPTB-WBVHZDCISA-N 1 0 312.461 3.500 10 0 DGAERO O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000194504479 165348148 /nfs/dbraw/zinc/34/81/48/165348148.db2.gz PCLUTMJHPUJAMZ-CVEARBPZSA-N 1 0 318.848 3.140 10 0 DGAERO O=C(/C=C/c1cc2ccccc2o1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194504238 165349160 /nfs/dbraw/zinc/34/91/60/165349160.db2.gz RZEKJHCCGMSCLN-CMDGGOBGSA-N 1 0 310.397 3.143 10 0 DGAERO C[C@@H](CC[NH2+][C@@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000194621822 165350463 /nfs/dbraw/zinc/35/04/63/165350463.db2.gz AGWBIAZAQFAYSF-QFBILLFUSA-N 1 0 323.440 3.360 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000194634042 165350832 /nfs/dbraw/zinc/35/08/32/165350832.db2.gz QJQAJKUFUJXNSL-MRXNPFEDSA-N 1 0 311.385 3.003 10 0 DGAERO CC(C)NC(=O)CC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000195314100 165364982 /nfs/dbraw/zinc/36/49/82/165364982.db2.gz VWBGHPJNQNKPBM-SFHVURJKSA-N 1 0 300.446 3.443 10 0 DGAERO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195318272 165365485 /nfs/dbraw/zinc/36/54/85/165365485.db2.gz ZXBUKFOAGAKRIJ-ZDUSSCGKSA-N 1 0 318.804 3.315 10 0 DGAERO O=C(CCc1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336186 165365708 /nfs/dbraw/zinc/36/57/08/165365708.db2.gz QTAVTXHLMIYZLK-LJQANCHMSA-N 1 0 308.425 3.079 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](C[C@H](O)c3ccccc3)C2)n1 ZINC000195327109 165365864 /nfs/dbraw/zinc/36/58/64/165365864.db2.gz KKYJVTSAFHIESO-HOTGVXAUSA-N 1 0 302.443 3.365 10 0 DGAERO COC(=O)c1oc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1C ZINC000195340742 165367118 /nfs/dbraw/zinc/36/71/18/165367118.db2.gz QDAYZLZQVVZICA-LBPRGKRZSA-N 1 0 320.414 3.211 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C2)n1 ZINC000195441405 165370727 /nfs/dbraw/zinc/37/07/27/165370727.db2.gz WIXQMEBKGFPJBS-GJZGRUSLSA-N 1 0 321.490 3.032 10 0 DGAERO c1cc(C2CC[NH+](CCCOCCc3ccccc3)CC2)n[nH]1 ZINC000195507560 165372122 /nfs/dbraw/zinc/37/21/22/165372122.db2.gz OBXWLLCOSDMAHK-UHFFFAOYSA-N 1 0 313.445 3.239 10 0 DGAERO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000230155577 165394668 /nfs/dbraw/zinc/39/46/68/165394668.db2.gz NYCWIZXNXHALQE-NOZJJQNGSA-N 1 0 302.187 3.245 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C(C)(C)C ZINC000247152940 165567977 /nfs/dbraw/zinc/56/79/77/165567977.db2.gz SYKQVWREKKLIHL-QLFBSQMISA-N 1 0 305.466 3.219 10 0 DGAERO C/C(=C\C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000365426913 287131112 /nfs/dbraw/zinc/13/11/12/287131112.db2.gz LTRKPHJHKZOMBH-SDNWHVSQSA-N 1 0 316.420 3.362 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)[C@@H]1COc2ccccc21 ZINC000248634154 165640358 /nfs/dbraw/zinc/64/03/58/165640358.db2.gz XGHHELNJSUEFPI-DETPVDSQSA-N 1 0 319.351 3.153 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000249894470 165686776 /nfs/dbraw/zinc/68/67/76/165686776.db2.gz RHTYSNRFSDTXPD-AEFFLSMTSA-N 1 0 312.461 3.499 10 0 DGAERO CCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261623957 165723866 /nfs/dbraw/zinc/72/38/66/165723866.db2.gz GTRWMBJCVVNPNA-XKQJLSEDSA-N 1 0 302.418 3.335 10 0 DGAERO CC[C@@H](CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(C)cc1 ZINC000261762560 165745105 /nfs/dbraw/zinc/74/51/05/165745105.db2.gz FJFBNNQGLCDSNO-RDJZCZTQSA-N 1 0 302.462 3.465 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC000261875479 165759630 /nfs/dbraw/zinc/75/96/30/165759630.db2.gz SWLLYXGRNYKEJW-CQSZACIVSA-N 1 0 323.506 3.231 10 0 DGAERO [NH3+][C@@H]1CCCCCC[C@H]1c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000261974157 165772639 /nfs/dbraw/zinc/77/26/39/165772639.db2.gz IOEXLPXKULKXJX-HUUCEWRRSA-N 1 0 313.401 3.437 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c(C)c1 ZINC000261971983 165773289 /nfs/dbraw/zinc/77/32/89/165773289.db2.gz QFZJEJNOPYCITD-MVJTYMMSSA-N 1 0 300.446 3.401 10 0 DGAERO CCOc1ccccc1[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262299751 165796559 /nfs/dbraw/zinc/79/65/59/165796559.db2.gz ZTTCCOCVGUHNNK-ZRGWGRIASA-N 1 0 316.445 3.042 10 0 DGAERO Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000262322091 165798257 /nfs/dbraw/zinc/79/82/57/165798257.db2.gz CXDPHQGSSVUDSN-BFJAYTPKSA-N 1 0 304.434 3.276 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000262479356 165805298 /nfs/dbraw/zinc/80/52/98/165805298.db2.gz JVXKZMSYBHGALI-LBPRGKRZSA-N 1 0 316.323 3.144 10 0 DGAERO C[C@@H](C(=O)N1CCC[C@H]1c1cccc2ccccc21)C1C[NH2+]C1 ZINC000262548866 165808829 /nfs/dbraw/zinc/80/88/29/165808829.db2.gz OLDWOKDSFYHTHP-KUHUBIRLSA-N 1 0 308.425 3.359 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262598585 165811506 /nfs/dbraw/zinc/81/15/06/165811506.db2.gz XIIVMBPBCNXOGU-AGIUHOORSA-N 1 0 308.853 3.146 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000262818226 165821061 /nfs/dbraw/zinc/82/10/61/165821061.db2.gz PHGQJPGHDMQSES-YOEHRIQHSA-N 1 0 318.436 3.142 10 0 DGAERO Cc1cccc(C2(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CCCCC2)c1 ZINC000262848656 165821435 /nfs/dbraw/zinc/82/14/35/165821435.db2.gz SCJWZOZDDSNZCT-AEFFLSMTSA-N 1 0 314.473 3.311 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000262844544 165821659 /nfs/dbraw/zinc/82/16/59/165821659.db2.gz RPQVTFORWAPXIW-SUMWQHHRSA-N 1 0 314.454 3.046 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCCN(c4ccccc4)CC3)o2)n[nH]1 ZINC000366024876 287201587 /nfs/dbraw/zinc/20/15/87/287201587.db2.gz PAQNTGCSNNUDJZ-UHFFFAOYSA-N 1 0 322.412 3.382 10 0 DGAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)C1 ZINC000129258317 196033193 /nfs/dbraw/zinc/03/31/93/196033193.db2.gz LRGVUDZGHVBERY-ZIAGYGMSSA-N 1 0 324.350 3.478 10 0 DGAERO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246661950 432151778 /nfs/dbraw/zinc/15/17/78/432151778.db2.gz WJOKXMSNAZGUHT-DEFDSWJHSA-N 1 0 319.493 3.364 10 0 DGAERO CCc1nn(C)c(CC)c1C[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000190392153 432151847 /nfs/dbraw/zinc/15/18/47/432151847.db2.gz FXOIRNGSQNMICV-UHFFFAOYSA-N 1 0 315.461 3.200 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cccc3ccccc32)C1 ZINC000246642251 432152277 /nfs/dbraw/zinc/15/22/77/432152277.db2.gz KWHFAJAMKSHXRN-AZUAARDMSA-N 1 0 322.452 3.325 10 0 DGAERO Cc1cc(CC[NH2+]Cc2c[nH]nc2-c2cccnc2)cc(C)c1O ZINC000190394304 432152423 /nfs/dbraw/zinc/15/24/23/432152423.db2.gz UGSFWTXHHKFIOV-UHFFFAOYSA-N 1 0 322.412 3.126 10 0 DGAERO CC(C)[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(F)c(F)c1 ZINC000182122425 432161360 /nfs/dbraw/zinc/16/13/60/432161360.db2.gz CJUNPAMFMLIYSW-IAGOWNOFSA-N 1 0 313.388 3.041 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000246676437 432154029 /nfs/dbraw/zinc/15/40/29/432154029.db2.gz GQIYHTUQVXKHJL-RBSFLKMASA-N 1 0 324.490 3.201 10 0 DGAERO c1cc(-c2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)cs2)cs1 ZINC000171638644 432154338 /nfs/dbraw/zinc/15/43/38/432154338.db2.gz DXHYMRCFXJBEIM-CQSZACIVSA-N 1 0 305.472 3.152 10 0 DGAERO C[C@@H]([NH2+]CCCn1ccnn1)C(c1ccccc1)c1ccccc1 ZINC000181986084 432154420 /nfs/dbraw/zinc/15/44/20/432154420.db2.gz CJGJUKLCMREKGC-QGZVFWFLSA-N 1 0 320.440 3.478 10 0 DGAERO CCn1c(C[N@@H+]2CCSC[C@H](C)C2)nc2cc(F)ccc21 ZINC000190420608 432155276 /nfs/dbraw/zinc/15/52/76/432155276.db2.gz FKBQGEOTRMBANE-GFCCVEGCSA-N 1 0 307.438 3.380 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(F)cc2Cl)C1 ZINC000246691456 432156131 /nfs/dbraw/zinc/15/61/31/432156131.db2.gz MWUOKNLSALDGOF-XHDPSFHLSA-N 1 0 310.800 3.035 10 0 DGAERO CC1(C)[C@H]([NH2+]CCc2cccc(Br)c2)[C@H]2CCO[C@@H]21 ZINC000136457789 432156429 /nfs/dbraw/zinc/15/64/29/432156429.db2.gz CATNIIPIUVEXPA-KFWWJZLASA-N 1 0 324.262 3.395 10 0 DGAERO CCc1cnccc1C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000136597121 432157743 /nfs/dbraw/zinc/15/77/43/432157743.db2.gz QHOKKCLVXGDPFO-UHFFFAOYSA-N 1 0 311.429 3.026 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000269288692 432158399 /nfs/dbraw/zinc/15/83/99/432158399.db2.gz ORRSIPKLHQSAOH-CQSZACIVSA-N 1 0 304.434 3.472 10 0 DGAERO CC(C)[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(F)c(F)c1 ZINC000182107235 432159074 /nfs/dbraw/zinc/15/90/74/432159074.db2.gz LJLDRHXFBMJJEM-HUUCEWRRSA-N 1 0 301.402 3.120 10 0 DGAERO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182090379 432159162 /nfs/dbraw/zinc/15/91/62/432159162.db2.gz KYWNFVOPKXQBKU-VCTAVGKDSA-N 1 0 303.418 3.364 10 0 DGAERO Fc1cccc(Cl)c1CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246851874 432171258 /nfs/dbraw/zinc/17/12/58/432171258.db2.gz KTUSTKQCUUSSLE-HUUCEWRRSA-N 1 0 315.841 3.228 10 0 DGAERO Fc1cccc(Cl)c1CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246851855 432171995 /nfs/dbraw/zinc/17/19/95/432171995.db2.gz KTUSTKQCUUSSLE-CABCVRRESA-N 1 0 315.841 3.228 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129545527 196055941 /nfs/dbraw/zinc/05/59/41/196055941.db2.gz STQNONJGEQWQJV-IBGZPJMESA-N 1 0 324.424 3.013 10 0 DGAERO CC(C)[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1 ZINC000182147751 432163219 /nfs/dbraw/zinc/16/32/19/432163219.db2.gz XJYZYEQUHUVJIZ-SJCJKPOMSA-N 1 0 308.372 3.015 10 0 DGAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000190489741 432163750 /nfs/dbraw/zinc/16/37/50/432163750.db2.gz ITIUOEIEZNBTDG-LJQANCHMSA-N 1 0 301.478 3.416 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000246782347 432164169 /nfs/dbraw/zinc/16/41/69/432164169.db2.gz BFILLKWMLRMSNH-NJAFHUGGSA-N 1 0 312.457 3.192 10 0 DGAERO c1cc(-c2nc(CN3CCC[N@@H+](C4CC4)CC3)cs2)co1 ZINC000171732423 432166266 /nfs/dbraw/zinc/16/62/66/432166266.db2.gz HCKPZUHBYQZFII-UHFFFAOYSA-N 1 0 303.431 3.073 10 0 DGAERO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000190507068 432167199 /nfs/dbraw/zinc/16/71/99/432167199.db2.gz GQMLVHIWYXHKHG-ATZDWAIDSA-N 1 0 303.446 3.390 10 0 DGAERO Cc1cc2cc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2[nH]1 ZINC000246807396 432167263 /nfs/dbraw/zinc/16/72/63/432167263.db2.gz LDDRIBUDQBFGPL-BBRMVZONSA-N 1 0 314.433 3.423 10 0 DGAERO CN1CC[C@@H]([NH2+]CC2=CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246814361 432168140 /nfs/dbraw/zinc/16/81/40/432168140.db2.gz PXWUXTQAUGUKTD-IAGOWNOFSA-N 1 0 324.827 3.161 10 0 DGAERO C[C@@H](CCNC(=O)c1cccc2ncccc21)[NH+]1CCCCC1 ZINC000182221399 432168231 /nfs/dbraw/zinc/16/82/31/432168231.db2.gz CZUAFZVFBMVFMF-HNNXBMFYSA-N 1 0 311.429 3.229 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(SC)cc1 ZINC000171839978 432176781 /nfs/dbraw/zinc/17/67/81/432176781.db2.gz XWYLRXSGUFUBQM-HNNXBMFYSA-N 1 0 321.490 3.082 10 0 DGAERO CC(C)COc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000246871248 432176995 /nfs/dbraw/zinc/17/69/95/432176995.db2.gz SQSVGZCVJGRHMF-QZTJIDSGSA-N 1 0 321.486 3.428 10 0 DGAERO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc21)C(C)C ZINC000246891592 432178330 /nfs/dbraw/zinc/17/83/30/432178330.db2.gz RHGHMUWRQRBLGD-HLLBOEOZSA-N 1 0 318.461 3.175 10 0 DGAERO CC(C)C[NH+]1CCC(NC(=O)NC/C=C/c2ccccc2)CC1 ZINC000171850561 432179111 /nfs/dbraw/zinc/17/91/11/432179111.db2.gz JFVHHQXVGMIQAV-RMKNXTFCSA-N 1 0 315.461 3.119 10 0 DGAERO Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)c3ccccc3)C2)n1 ZINC000182329463 432179224 /nfs/dbraw/zinc/17/92/24/432179224.db2.gz NLYQCJUKFPUWJU-QGZVFWFLSA-N 1 0 323.440 3.397 10 0 DGAERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(Br)s1 ZINC000190663071 432179714 /nfs/dbraw/zinc/17/97/14/432179714.db2.gz MMLVOZLZXUYUTD-VIFPVBQESA-N 1 0 320.252 3.314 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2F)C1 ZINC000246908035 432179799 /nfs/dbraw/zinc/17/97/99/432179799.db2.gz XXMQOWOGEDDXBZ-PBFPGSCMSA-N 1 0 324.415 3.303 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(C)cc(C)cc3C)[C@@H]2C1 ZINC000246911387 432180385 /nfs/dbraw/zinc/18/03/85/432180385.db2.gz RQWKQQIKWJPWLS-BHIYHBOVSA-N 1 0 303.446 3.380 10 0 DGAERO CC[C@@H](Sc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000171808484 432174276 /nfs/dbraw/zinc/17/42/76/432174276.db2.gz OKJUUCPDCCHANI-GDBMZVCRSA-N 1 0 306.475 3.158 10 0 DGAERO O[C@H](CC1CCCC1)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000190604245 432175245 /nfs/dbraw/zinc/17/52/45/432175245.db2.gz KKSVDMDVQYDFCO-VQTJNVASSA-N 1 0 317.473 3.466 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000150737787 432188045 /nfs/dbraw/zinc/18/80/45/432188045.db2.gz HAAVCKUYTVYWPO-NVXWUHKLSA-N 1 0 316.445 3.281 10 0 DGAERO CCOC(=O)[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccccc1 ZINC000171968356 432188221 /nfs/dbraw/zinc/18/82/21/432188221.db2.gz MQLXRTVHQDSTAO-GOSISDBHSA-N 1 0 310.397 3.348 10 0 DGAERO COc1ccc([C@@H](C)NCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000246992204 432189271 /nfs/dbraw/zinc/18/92/71/432189271.db2.gz KGFCLUWUECAXQC-LSDHHAIUSA-N 1 0 306.450 3.229 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000150745247 432189335 /nfs/dbraw/zinc/18/93/35/432189335.db2.gz URMIWDKVMOCTJH-MRXNPFEDSA-N 1 0 324.490 3.092 10 0 DGAERO Cc1csc2nc(C[NH+]3CCC(C(C)(C)C)CC3)cc(=O)n12 ZINC000172033739 432192581 /nfs/dbraw/zinc/19/25/81/432192581.db2.gz NTSAKZHCLKUHDM-UHFFFAOYSA-N 1 0 319.474 3.323 10 0 DGAERO Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCc4c3cnn4C)C2)cc1 ZINC000247003887 432189614 /nfs/dbraw/zinc/18/96/14/432189614.db2.gz JZWTYPMDVNQUAO-LPHOPBHVSA-N 1 0 324.472 3.365 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1)c1ccccc1 ZINC000246997848 432189901 /nfs/dbraw/zinc/18/99/01/432189901.db2.gz GNALJELJPAXENC-ZFWWWQNUSA-N 1 0 315.442 3.350 10 0 DGAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000247010509 432190667 /nfs/dbraw/zinc/19/06/67/432190667.db2.gz LEBOFBSFZOJILZ-HLLBOEOZSA-N 1 0 318.461 3.227 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1)c1ccccc1 ZINC000246997824 432190855 /nfs/dbraw/zinc/19/08/55/432190855.db2.gz GNALJELJPAXENC-HIFRSBDPSA-N 1 0 315.442 3.350 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc2ccccc21 ZINC000171898051 432183002 /nfs/dbraw/zinc/18/30/02/432183002.db2.gz FMXYUYCCWOUCSE-DOTOQJQBSA-N 1 0 323.440 3.390 10 0 DGAERO c1ccc(COCCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000182476938 432194438 /nfs/dbraw/zinc/19/44/38/432194438.db2.gz KZOQGVMZJXUTOF-IBGZPJMESA-N 1 0 312.413 3.142 10 0 DGAERO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247028769 432194680 /nfs/dbraw/zinc/19/46/80/432194680.db2.gz KBFAYXZRADBGGM-PBHICJAKSA-N 1 0 302.397 3.281 10 0 DGAERO CCc1nnc(C[N@@H+]2C[C@H](c3ccc(OC)cc3)C[C@H]2C)o1 ZINC000247067959 432197421 /nfs/dbraw/zinc/19/74/21/432197421.db2.gz MLTADZHGGJOIJD-TZMCWYRMSA-N 1 0 301.390 3.019 10 0 DGAERO C[NH+](C)C1CCN(C(=O)Nc2ccccc2OC(C)(C)C)CC1 ZINC000172119856 432197601 /nfs/dbraw/zinc/19/76/01/432197601.db2.gz BMAOOASBAVFKNM-UHFFFAOYSA-N 1 0 319.449 3.422 10 0 DGAERO CCN(Cc1cccs1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247058983 432198191 /nfs/dbraw/zinc/19/81/91/432198191.db2.gz IMWHYJBXBZPEIO-UKRRQHHQSA-N 1 0 309.479 3.008 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000247089652 432201400 /nfs/dbraw/zinc/20/14/00/432201400.db2.gz NWXXUMZHLRJRLA-FZDIXFNVSA-N 1 0 319.445 3.320 10 0 DGAERO O=C(C[C@H]1CCCc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247083847 432200723 /nfs/dbraw/zinc/20/07/23/432200723.db2.gz ILLGZDVTSYAMEX-MSOLQXFVSA-N 1 0 312.457 3.193 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1sc(C)nc1C ZINC000247093675 432202546 /nfs/dbraw/zinc/20/25/46/432202546.db2.gz XQMAQPJNFUFLKB-MCIONIFRSA-N 1 0 308.447 3.066 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)CC2 ZINC000150932068 432203066 /nfs/dbraw/zinc/20/30/66/432203066.db2.gz NAWSLZYQEIGQKA-GOSISDBHSA-N 1 0 300.446 3.219 10 0 DGAERO COC(=O)c1ccccc1OCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000182582678 432207636 /nfs/dbraw/zinc/20/76/36/432207636.db2.gz ZHOFJYCITUHHHD-CYBMUJFWSA-N 1 0 303.358 3.104 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000172287070 432207707 /nfs/dbraw/zinc/20/77/07/432207707.db2.gz AHHFKCNJZJRHSF-MRXNPFEDSA-N 1 0 300.446 3.185 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2cccc(F)c2)n1 ZINC000247178014 432208671 /nfs/dbraw/zinc/20/86/71/432208671.db2.gz KXAVOVSDSUVYLG-GUYCJALGSA-N 1 0 315.392 3.149 10 0 DGAERO CSc1ccc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247170783 432208950 /nfs/dbraw/zinc/20/89/50/432208950.db2.gz ASVBAQVEKUJWNI-UONOGXRCSA-N 1 0 306.475 3.272 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(Br)c1 ZINC000247192829 432210849 /nfs/dbraw/zinc/21/08/49/432210849.db2.gz LHWXWQTXAVYMSY-JQWIXIFHSA-N 1 0 315.280 3.179 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@H](C)c3ccccc3)C2)n1 ZINC000247221991 432213032 /nfs/dbraw/zinc/21/30/32/432213032.db2.gz VRGCVMIFYALFDC-MAUKXSAKSA-N 1 0 312.461 3.411 10 0 DGAERO C[C@H]1CCC[C@H](CC[N@@H+]2CCCN(c3cccnn3)CC2)C1 ZINC000151040913 432213091 /nfs/dbraw/zinc/21/30/91/432213091.db2.gz YMZUKYIDEBWZSL-DLBZAZTESA-N 1 0 302.466 3.205 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000151035623 432213217 /nfs/dbraw/zinc/21/32/17/432213217.db2.gz YYXVMFGZOPFTDJ-ZACQAIPSSA-N 1 0 305.462 3.349 10 0 DGAERO Cc1ccc(CCC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172419345 432213354 /nfs/dbraw/zinc/21/33/54/432213354.db2.gz YVLIDEQPLTVWOA-UHFFFAOYSA-N 1 0 314.473 3.405 10 0 DGAERO CC[C@@H](C)Oc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000247218849 432213471 /nfs/dbraw/zinc/21/34/71/432213471.db2.gz BMVNIOYVMXEGQF-ZBFHGGJFSA-N 1 0 317.433 3.176 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc2ccccc21 ZINC000247234401 432213579 /nfs/dbraw/zinc/21/35/79/432213579.db2.gz MUVBQQRJZGGDIA-QAPCUYQASA-N 1 0 308.425 3.077 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1Cl ZINC000247240647 432215699 /nfs/dbraw/zinc/21/56/99/432215699.db2.gz DLZOEESPIMZMKE-STQMWFEESA-N 1 0 307.825 3.431 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247106856 432204082 /nfs/dbraw/zinc/20/40/82/432204082.db2.gz KWFJPUPTAHKGEG-TWMKSMIVSA-N 1 0 324.509 3.255 10 0 DGAERO CCC[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000172238966 432204914 /nfs/dbraw/zinc/20/49/14/432204914.db2.gz GLABCSKGUQHGSI-SZMVWBNQSA-N 1 0 315.461 3.406 10 0 DGAERO CCOCCN1CC[N@H+](C[C@H](C)c2ccccc2)C[C@@H]1CC ZINC000247140810 432205077 /nfs/dbraw/zinc/20/50/77/432205077.db2.gz PHCJFLUINSMJJG-HKUYNNGSSA-N 1 0 304.478 3.223 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1SC ZINC000247127968 432205102 /nfs/dbraw/zinc/20/51/02/432205102.db2.gz SCTBDCKMMAMGDM-KBPBESRZSA-N 1 0 319.474 3.499 10 0 DGAERO CCc1ccc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000172247855 432205451 /nfs/dbraw/zinc/20/54/51/432205451.db2.gz LZGKACBNAOCPLZ-IBGZPJMESA-N 1 0 312.461 3.370 10 0 DGAERO CCOc1ccc(OCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000172271299 432205973 /nfs/dbraw/zinc/20/59/73/432205973.db2.gz DDOZCAAZYRFEGT-SFHVURJKSA-N 1 0 315.417 3.414 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247399066 432227704 /nfs/dbraw/zinc/22/77/04/432227704.db2.gz PGRZYTSSBCOHHA-NEPJUHHUSA-N 1 0 324.877 3.371 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000191054409 432216411 /nfs/dbraw/zinc/21/64/11/432216411.db2.gz WJWIOYLDQRHJQJ-DNVCBOLYSA-N 1 0 313.445 3.464 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000247254036 432217263 /nfs/dbraw/zinc/21/72/63/432217263.db2.gz UTXSAOYVQSKXFV-ZBFHGGJFSA-N 1 0 316.445 3.173 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000191113741 432220839 /nfs/dbraw/zinc/22/08/39/432220839.db2.gz XVMUYVLSTZKJPX-CGTJXYLNSA-N 1 0 313.445 3.159 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccccc2C)[C@@H](C)C1 ZINC000247314176 432221696 /nfs/dbraw/zinc/22/16/96/432221696.db2.gz HQJUBTPUOYBZTL-HOTGVXAUSA-N 1 0 320.502 3.276 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000172591345 432223601 /nfs/dbraw/zinc/22/36/01/432223601.db2.gz MQJHRGLJKTZPMO-WBVHZDCISA-N 1 0 307.482 3.225 10 0 DGAERO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1F ZINC000151142551 432224002 /nfs/dbraw/zinc/22/40/02/432224002.db2.gz GWDZCISWMARMLS-GHMZBOCLSA-N 1 0 310.800 3.143 10 0 DGAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000131758973 196196904 /nfs/dbraw/zinc/19/69/04/196196904.db2.gz YRNWAAQZRCJBLJ-ZBFHGGJFSA-N 1 0 324.877 3.002 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131810119 196201271 /nfs/dbraw/zinc/20/12/71/196201271.db2.gz DEQXVYSXMWDCGE-GOSISDBHSA-N 1 0 321.428 3.456 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnc(Cl)cc2C)[C@H](C)C1 ZINC000132227228 196236666 /nfs/dbraw/zinc/23/66/66/196236666.db2.gz ILDGSINGZQGFFQ-OCCSQVGLSA-N 1 0 324.856 3.237 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@@H](C)c2cccs2)C1 ZINC000132491133 196259819 /nfs/dbraw/zinc/25/98/19/196259819.db2.gz JWYUSSATXRQKPQ-RDBSUJKOSA-N 1 0 309.479 3.179 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000132891502 196293578 /nfs/dbraw/zinc/29/35/78/196293578.db2.gz JTXMLTBFBWXBLY-STQMWFEESA-N 1 0 312.404 3.305 10 0 DGAERO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000133002926 196304014 /nfs/dbraw/zinc/30/40/14/196304014.db2.gz XGRHRPNVXHWPDG-STQMWFEESA-N 1 0 300.402 3.267 10 0 DGAERO COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCC(=O)N(C)C3)ccc2c1 ZINC000133026366 196305875 /nfs/dbraw/zinc/30/58/75/196305875.db2.gz AIFSRHVRNRJXCA-SUMWQHHRSA-N 1 0 312.413 3.120 10 0 DGAERO [NH3+][C@@H](C(=O)Nc1ccc(F)c(Br)c1)c1ccccc1 ZINC000133226711 196322372 /nfs/dbraw/zinc/32/23/72/196322372.db2.gz VDGYCIVJVXVPLY-CYBMUJFWSA-N 1 0 323.165 3.227 10 0 DGAERO CCc1nc(C)c([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)s1 ZINC000134134725 196363943 /nfs/dbraw/zinc/36/39/43/196363943.db2.gz QXYCZAQVNBYEJH-LBPRGKRZSA-N 1 0 323.506 3.312 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000134176612 196368522 /nfs/dbraw/zinc/36/85/22/196368522.db2.gz MJANBAHJCPQOIO-RDTXWAMCSA-N 1 0 300.446 3.157 10 0 DGAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000134239044 196373043 /nfs/dbraw/zinc/37/30/43/196373043.db2.gz NRPBWGWPXXMKST-PELKAZGASA-N 1 0 304.615 3.370 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000136689733 196547816 /nfs/dbraw/zinc/54/78/16/196547816.db2.gz JLDVVNUQNFCYPQ-OAHLLOKOSA-N 1 0 305.418 3.285 10 0 DGAERO Cn1nccc1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137073530 196564042 /nfs/dbraw/zinc/56/40/42/196564042.db2.gz BPBTUSCMSOCSNO-UHFFFAOYSA-N 1 0 314.614 3.126 10 0 DGAERO COc1cc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)ccc1F ZINC000152831886 227078103 /nfs/dbraw/zinc/07/81/03/227078103.db2.gz ZHDMJTWGRJFISV-ZDUSSCGKSA-N 1 0 322.424 3.132 10 0 DGAERO OCCC1(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000157349126 228233182 /nfs/dbraw/zinc/23/31/82/228233182.db2.gz LEXPJSNBWBHRPF-UHFFFAOYSA-N 1 0 306.406 3.201 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000158979850 228239658 /nfs/dbraw/zinc/23/96/58/228239658.db2.gz CMNIJKXYFCWRIH-SMDDNHRTSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H](CSCc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000161537540 228252715 /nfs/dbraw/zinc/25/27/15/228252715.db2.gz NLRMKPQXPAWLHF-OAHLLOKOSA-N 1 0 320.502 3.109 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177184811 228326675 /nfs/dbraw/zinc/32/66/75/228326675.db2.gz RJXAGAGOWCBAKM-NVXWUHKLSA-N 1 0 300.446 3.059 10 0 DGAERO O=C(CN1CCS[C@@H]2CCCC[C@@H]21)Nc1ccccc1F ZINC000177203312 228327596 /nfs/dbraw/zinc/32/75/96/228327596.db2.gz RYDYAUUYSHVXCN-LSDHHAIUSA-N 1 0 308.422 3.124 10 0 DGAERO O=C(NCCC1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178860946 228347958 /nfs/dbraw/zinc/34/79/58/228347958.db2.gz XFCBDTVZKFMRCY-AEFFLSMTSA-N 1 0 319.493 3.225 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187843602 228442226 /nfs/dbraw/zinc/44/22/26/228442226.db2.gz QTVFMYJSIKXCMX-IAGOWNOFSA-N 1 0 309.425 3.321 10 0 DGAERO Cc1nc(C)c(C[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)s1 ZINC000299746575 229390182 /nfs/dbraw/zinc/39/01/82/229390182.db2.gz YEVZXWQKAGMZEC-AWEZNQCLSA-N 1 0 316.474 3.282 10 0 DGAERO Cc1cccc2c(N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)cc[nH+]c12 ZINC000301697822 229835485 /nfs/dbraw/zinc/83/54/85/229835485.db2.gz ZVVMNXRTMCVXLM-ZIAGYGMSSA-N 1 0 318.442 3.311 10 0 DGAERO FC(F)(F)c1cnc(N2CC[NH+]3CCC2CC3)c(Cl)c1 ZINC000302608411 230317673 /nfs/dbraw/zinc/31/76/73/230317673.db2.gz AEEFUIYHXKRMNF-UHFFFAOYSA-N 1 0 305.731 3.038 10 0 DGAERO C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000036331688 263512812 /nfs/dbraw/zinc/51/28/12/263512812.db2.gz NCFOTAMWDYNBIX-CYBMUJFWSA-N 1 0 309.475 3.212 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(F)c(CSC)c1 ZINC000174171602 263544382 /nfs/dbraw/zinc/54/43/82/263544382.db2.gz QYBWCVCAFREVSE-LBPRGKRZSA-N 1 0 312.454 3.149 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(N2CCCC2)cc1C)[NH+](C)C ZINC000179322773 263556542 /nfs/dbraw/zinc/55/65/42/263556542.db2.gz GUQOIKKOVYYBHN-QGZVFWFLSA-N 1 0 303.450 3.264 10 0 DGAERO Cc1ccccc1[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000180926629 263578115 /nfs/dbraw/zinc/57/81/15/263578115.db2.gz MLZSHBXDNHSIDF-DYESRHJHSA-N 1 0 320.436 3.437 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000186876011 263665700 /nfs/dbraw/zinc/66/57/00/263665700.db2.gz UXJCPQWKUQKFMT-IAGOWNOFSA-N 1 0 313.445 3.434 10 0 DGAERO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cnc(CC(C)C)s1 ZINC000188930322 263705922 /nfs/dbraw/zinc/70/59/22/263705922.db2.gz KBUUORSRYLXBER-INIZCTEOSA-N 1 0 318.486 3.343 10 0 DGAERO COc1ccc(F)cc1C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000189211136 263712368 /nfs/dbraw/zinc/71/23/68/263712368.db2.gz JSCWNPIIRBQOKF-CYBMUJFWSA-N 1 0 316.376 3.341 10 0 DGAERO CNC(=O)[C@@H]([NH2+]CCCc1c(Cl)cccc1Cl)C(C)C ZINC000193305015 263791819 /nfs/dbraw/zinc/79/18/19/263791819.db2.gz UEIYXDRANRBPQT-AWEZNQCLSA-N 1 0 317.260 3.286 10 0 DGAERO CC1(C)[C@H]([NH2+]CCc2cccc(Br)c2)[C@@H]2CCO[C@H]21 ZINC000313705007 263892531 /nfs/dbraw/zinc/89/25/31/263892531.db2.gz CATNIIPIUVEXPA-RRFJBIMHSA-N 1 0 324.262 3.395 10 0 DGAERO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000347331286 264198088 /nfs/dbraw/zinc/19/80/88/264198088.db2.gz GKKSHTZUHSJROY-KCITZHQASA-N 1 0 302.462 3.054 10 0 DGAERO c1ccc(COCCC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000347489554 264228384 /nfs/dbraw/zinc/22/83/84/264228384.db2.gz SFZODQFDDHKIIE-RTBURBONSA-N 1 0 303.446 3.342 10 0 DGAERO c1cn(CCCC2CC[NH+](CC[C@H]3CCCCO3)CC2)cn1 ZINC000347620038 264253426 /nfs/dbraw/zinc/25/34/26/264253426.db2.gz XSAIGVSCUZWBJB-GOSISDBHSA-N 1 0 305.466 3.335 10 0 DGAERO c1ccc(OC2CC2)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000347742962 264277554 /nfs/dbraw/zinc/27/75/54/264277554.db2.gz DTWGJRCEHJJEPM-QGZVFWFLSA-N 1 0 300.446 3.288 10 0 DGAERO c1cc2cc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)ccc2o1 ZINC000347825818 264289901 /nfs/dbraw/zinc/28/99/01/264289901.db2.gz XNCZFODILPVMTM-GOSISDBHSA-N 1 0 314.429 3.120 10 0 DGAERO c1cc(Sc2ccccn2)oc1C[NH2+]CC[C@@H]1CCOC1 ZINC000352871344 265207463 /nfs/dbraw/zinc/20/74/63/265207463.db2.gz UDYSKSZPRVOKKD-CYBMUJFWSA-N 1 0 304.415 3.342 10 0 DGAERO c1cn2cc(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)nc2s1 ZINC000353339575 265394954 /nfs/dbraw/zinc/39/49/54/265394954.db2.gz UGKQYFRQZCSMBI-BPLDGKMQSA-N 1 0 305.447 3.081 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000247422129 432229342 /nfs/dbraw/zinc/22/93/42/432229342.db2.gz OBVDAKNDPZGHCL-QWRGUYRKSA-N 1 0 300.855 3.204 10 0 DGAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247467862 432231327 /nfs/dbraw/zinc/23/13/27/432231327.db2.gz RQNXURHNARVOEW-IPYPFGDCSA-N 1 0 324.852 3.048 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccccc2C)[C@@H](C)C1 ZINC000247450761 432231341 /nfs/dbraw/zinc/23/13/41/432231341.db2.gz QEXDZJLZACEOLC-FUHWJXTLSA-N 1 0 302.462 3.116 10 0 DGAERO CC[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000247460321 432231958 /nfs/dbraw/zinc/23/19/58/432231958.db2.gz QTQROPNGYZOBMY-NUJGCVRESA-N 1 0 315.461 3.058 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000355901963 266224363 /nfs/dbraw/zinc/22/43/63/266224363.db2.gz AOYQEBRZBXCPAN-ZCNNSNEGSA-N 1 0 314.473 3.009 10 0 DGAERO CC[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000247460316 432232361 /nfs/dbraw/zinc/23/23/61/432232361.db2.gz QTQROPNGYZOBMY-JFIYKMOQSA-N 1 0 315.461 3.058 10 0 DGAERO C[C@@H]1CCc2sc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2C1 ZINC000247473239 432233545 /nfs/dbraw/zinc/23/35/45/432233545.db2.gz SBXOMPYJSCPTBM-IPYPFGDCSA-N 1 0 320.502 3.428 10 0 DGAERO CO[C@@H](C)C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000191208607 432234330 /nfs/dbraw/zinc/23/43/30/432234330.db2.gz QEEDCRMEIYXTGB-ZDUSSCGKSA-N 1 0 320.433 3.109 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC000247498104 432236233 /nfs/dbraw/zinc/23/62/33/432236233.db2.gz XJPYWZXWDYAODK-WCQYABFASA-N 1 0 314.882 3.179 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CSc3ccccc32)[C@H](C)C1 ZINC000247490396 432236243 /nfs/dbraw/zinc/23/62/43/432236243.db2.gz UFMJAOJAQIJHQI-KBMXLJTQSA-N 1 0 318.486 3.065 10 0 DGAERO C[C@H](c1nc(C(C)(C)C)no1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247523132 432237549 /nfs/dbraw/zinc/23/75/49/432237549.db2.gz NOVYXCJHKXBKRW-ZIAGYGMSSA-N 1 0 308.470 3.234 10 0 DGAERO C[C@@H](N[C@H](CO)c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000182894389 432239498 /nfs/dbraw/zinc/23/94/98/432239498.db2.gz RYDRUGOPOWCWDV-CZUORRHYSA-N 1 0 309.369 3.121 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000247541430 432240431 /nfs/dbraw/zinc/24/04/31/432240431.db2.gz YLHFWPQVZZKQJL-YYQUZTFQSA-N 1 0 318.848 3.139 10 0 DGAERO CCc1ccc(-c2noc(CN3[C@@H](C)CC(O)C[C@@H]3C)n2)cc1 ZINC000191265096 432242038 /nfs/dbraw/zinc/24/20/38/432242038.db2.gz GOAFBPBKBUMOJX-STQMWFEESA-N 1 0 315.417 3.033 10 0 DGAERO O=C(C[C@H]1CCC[N@@H+]1CCCn1ccnc1)c1ccc(F)cc1 ZINC000182968787 432247715 /nfs/dbraw/zinc/24/77/15/432247715.db2.gz FSRMRIFMGGDREI-QGZVFWFLSA-N 1 0 315.392 3.150 10 0 DGAERO CCOC(=O)c1cnccc1N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000359868587 271004965 /nfs/dbraw/zinc/00/49/65/271004965.db2.gz DRKNVIPQNPFILG-KOLCDFICSA-N 1 0 302.296 3.035 10 0 DGAERO C[C@H]1CCOCC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000367654085 271058125 /nfs/dbraw/zinc/05/81/25/271058125.db2.gz BBPJAIIVHRQZCS-LBPRGKRZSA-N 1 0 303.324 3.239 10 0 DGAERO C[C@H]1CCOCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000367667959 271062516 /nfs/dbraw/zinc/06/25/16/271062516.db2.gz XTPJDTASFKTMOI-LBPRGKRZSA-N 1 0 303.324 3.239 10 0 DGAERO O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000367932543 271100067 /nfs/dbraw/zinc/10/00/67/271100067.db2.gz QIQQLPPAKOXWLG-LJQANCHMSA-N 1 0 320.392 3.380 10 0 DGAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368560286 271170354 /nfs/dbraw/zinc/17/03/54/271170354.db2.gz DBCWILDTEYKJAY-RVKKMQEKSA-N 1 0 300.446 3.202 10 0 DGAERO C[C@H](NC(=O)N1CCCC12CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000369357533 271266931 /nfs/dbraw/zinc/26/69/31/271266931.db2.gz HZACESHVTRUQPB-HOTGVXAUSA-N 1 0 319.493 3.368 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000372097419 271508593 /nfs/dbraw/zinc/50/85/93/271508593.db2.gz ZHWIUQMXNAWZNN-GDIGMMSISA-N 1 0 303.446 3.421 10 0 DGAERO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000247880293 432251894 /nfs/dbraw/zinc/25/18/94/432251894.db2.gz BONHZGLNQNZSMH-HKUYNNGSSA-N 1 0 301.430 3.195 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2F)[C@H]1c1ccccc1 ZINC000247919916 432254673 /nfs/dbraw/zinc/25/46/73/432254673.db2.gz BPMZBOGYWTWFOH-IAGOWNOFSA-N 1 0 316.351 3.140 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2CCC(C)(C)CC2)C1 ZINC000183073009 432255477 /nfs/dbraw/zinc/25/54/77/432255477.db2.gz PTZDMQPXQOUXHF-GDBMZVCRSA-N 1 0 307.482 3.081 10 0 DGAERO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000247949314 432255142 /nfs/dbraw/zinc/25/51/42/432255142.db2.gz DWPJWCGFBWUBBT-OXJNMPFZSA-N 1 0 309.457 3.459 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CCC(C)(C)CC2)C1 ZINC000183072988 432256986 /nfs/dbraw/zinc/25/69/86/432256986.db2.gz PTZDMQPXQOUXHF-GOEBONIOSA-N 1 0 307.482 3.081 10 0 DGAERO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183094431 432258404 /nfs/dbraw/zinc/25/84/04/432258404.db2.gz HJKOUIUSFALZGM-SWLSCSKDSA-N 1 0 317.385 3.267 10 0 DGAERO COC1([C@@H](C)[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CCOCC1 ZINC000453246495 274015586 /nfs/dbraw/zinc/01/55/86/274015586.db2.gz VDZQOTRJPUOZMH-FRFSOERESA-N 1 0 307.409 3.245 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000471824813 274065729 /nfs/dbraw/zinc/06/57/29/274065729.db2.gz UPGZMWXNUKBWGH-QXCFHYIPSA-N 1 0 302.462 3.054 10 0 DGAERO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000467365452 274076302 /nfs/dbraw/zinc/07/63/02/274076302.db2.gz JHKCXZDRFJUVHA-RWSFTLGLSA-N 1 0 312.251 3.319 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000090879229 274255575 /nfs/dbraw/zinc/25/55/75/274255575.db2.gz MSIVDUUOVFTOTO-OLZOCXBDSA-N 1 0 311.364 3.213 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCCO1 ZINC000183110303 432259098 /nfs/dbraw/zinc/25/90/98/432259098.db2.gz DKELPFDQRMHHKN-SWLSCSKDSA-N 1 0 308.447 3.117 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1(C)OCCCO1)CC3 ZINC000190654530 274765563 /nfs/dbraw/zinc/76/55/63/274765563.db2.gz JGRNMNOUCYNCRA-AWEZNQCLSA-N 1 0 314.429 3.076 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000261649619 274952635 /nfs/dbraw/zinc/95/26/35/274952635.db2.gz DKALNTFPTICVTQ-WJFTUGDTSA-N 1 0 314.473 3.279 10 0 DGAERO O=C(Nc1nccc2sccc21)[C@H](C1CC1)[NH+]1CCCC1 ZINC000128927868 275002726 /nfs/dbraw/zinc/00/27/26/275002726.db2.gz IPEZJIMFPMQUED-AWEZNQCLSA-N 1 0 301.415 3.109 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@@H]3CCc4ccccc4OC3)C2)cc1 ZINC000493914636 275067944 /nfs/dbraw/zinc/06/79/44/275067944.db2.gz AUTPISRPTNZSQS-IEBWSBKVSA-N 1 0 322.452 3.496 10 0 DGAERO c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@H]3CCOC3)C1)CO2 ZINC000467357063 275070510 /nfs/dbraw/zinc/07/05/10/275070510.db2.gz WIWFISRHLZSHSX-SPUZQDLCSA-N 1 0 301.430 3.175 10 0 DGAERO c1cn(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)cn1 ZINC000126466176 275072556 /nfs/dbraw/zinc/07/25/56/275072556.db2.gz RVNJCNZLLQJPMD-SFHVURJKSA-N 1 0 311.429 3.265 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]2[NH2+]CC[C@@H]1CCOC1 ZINC000230410811 275371282 /nfs/dbraw/zinc/37/12/82/275371282.db2.gz KWKVWHDNIRETML-IAQYHMDHSA-N 1 0 310.235 3.453 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]CC1=CCCOC1)CCO2 ZINC000269259762 275372091 /nfs/dbraw/zinc/37/20/91/275372091.db2.gz BNNTYRPGUVERHM-CQSZACIVSA-N 1 0 324.218 3.209 10 0 DGAERO Brc1cccc2c1OCC[C@@H]2[NH2+]C[C@@H]1CCCO1 ZINC000337368767 275374998 /nfs/dbraw/zinc/37/49/98/275374998.db2.gz NTGHGVOFLFFHJM-GWCFXTLKSA-N 1 0 312.207 3.041 10 0 DGAERO C([NH2+][C@@H](C1CCC1)C1CCCCC1)c1nnc2n1CCCC2 ZINC000424276828 275394730 /nfs/dbraw/zinc/39/47/30/275394730.db2.gz FQIXWBYIWWROCB-GOSISDBHSA-N 1 0 302.466 3.453 10 0 DGAERO CC(C)c1scnc1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333295893 275779810 /nfs/dbraw/zinc/77/98/10/275779810.db2.gz JUGAVIXNLUTWQC-ZDUSSCGKSA-N 1 0 322.478 3.262 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000191093250 275914989 /nfs/dbraw/zinc/91/49/89/275914989.db2.gz BFODWCKACNHWCU-BBWFWOEESA-N 1 0 300.450 3.027 10 0 DGAERO CC1CC[NH+](CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000127210456 275938057 /nfs/dbraw/zinc/93/80/57/275938057.db2.gz BLVNVYIPGBCPTO-MRXNPFEDSA-N 1 0 316.445 3.137 10 0 DGAERO CC(C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000450330505 276075009 /nfs/dbraw/zinc/07/50/09/276075009.db2.gz JBIODEUBNPUHGZ-HUUCEWRRSA-N 1 0 306.454 3.284 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N2CCc3ccccc32)CC1 ZINC000434656735 276095457 /nfs/dbraw/zinc/09/54/57/276095457.db2.gz YNLNFPNPZWMPRS-UHFFFAOYSA-N 1 0 315.461 3.223 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C)c(F)cc1Cl ZINC000130340621 276112624 /nfs/dbraw/zinc/11/26/24/276112624.db2.gz RAQXYQICQZEPFV-NSHDSACASA-N 1 0 300.805 3.248 10 0 DGAERO CC1(C)CC[C@@H](C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)O1 ZINC000186507604 276114453 /nfs/dbraw/zinc/11/44/53/276114453.db2.gz BEQRMDXUQXOHOD-KRWDZBQOSA-N 1 0 322.493 3.059 10 0 DGAERO CC1(C)C[C@H]([NH2+]CC2(C)OCCCO2)c2ccc(F)cc2O1 ZINC000190639994 276148297 /nfs/dbraw/zinc/14/82/97/276148297.db2.gz QGYGRDUIBYUMGN-AWEZNQCLSA-N 1 0 309.381 3.171 10 0 DGAERO CCC[C@@H](C(=O)NC[C@H](c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000188641024 276269021 /nfs/dbraw/zinc/26/90/21/276269021.db2.gz LQNINIUYLWJLFH-KGLIPLIRSA-N 1 0 316.367 3.179 10 0 DGAERO CCOc1c(Br)cc(C[NH2+]C)cc1Br ZINC000010474714 276367690 /nfs/dbraw/zinc/36/76/90/276367690.db2.gz RYDIHUVDFLONFB-UHFFFAOYSA-N 1 0 323.028 3.330 10 0 DGAERO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000189523141 276396833 /nfs/dbraw/zinc/39/68/33/276396833.db2.gz JUAWLOFHSSUGMR-LSDHHAIUSA-N 1 0 310.438 3.418 10 0 DGAERO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000189523182 276397410 /nfs/dbraw/zinc/39/74/10/276397410.db2.gz JUAWLOFHSSUGMR-HUUCEWRRSA-N 1 0 310.438 3.418 10 0 DGAERO c1ncn2c1c(NC1CC([NH+]3CCCCC3)C1)nc1ccccc12 ZINC000624177461 429931083 /nfs/dbraw/zinc/93/10/83/429931083.db2.gz ILCNDSIZNKPVNJ-UHFFFAOYSA-N 1 0 321.428 3.311 10 0 DGAERO Brc1cccc2c1CN(CC[NH+]1CCCCC1)CC2 ZINC000074450163 276768909 /nfs/dbraw/zinc/76/89/09/276768909.db2.gz MQLLMDKUKFDPJC-UHFFFAOYSA-N 1 0 323.278 3.293 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)C1 ZINC000170831775 276872587 /nfs/dbraw/zinc/87/25/87/276872587.db2.gz CZGKHFGGUNZSMV-JKSUJKDBSA-N 1 0 321.440 3.258 10 0 DGAERO C[N@@H+]1CCC[C@H](CN[C@@H]2CCn3ccnc32)[C@@H]1c1cccs1 ZINC000453111527 277073640 /nfs/dbraw/zinc/07/36/40/277073640.db2.gz BZVGYPHXBFKSEL-IIAWOOMASA-N 1 0 316.474 3.062 10 0 DGAERO CC(=O)Nc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000092785649 277074260 /nfs/dbraw/zinc/07/42/60/277074260.db2.gz MAILUYGMMBHVTR-IBGZPJMESA-N 1 0 315.461 3.095 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)CCc2cccs2)[C@H]1c1ccccc1 ZINC000248067278 277136075 /nfs/dbraw/zinc/13/60/75/277136075.db2.gz PXYNTXWQRPVWJQ-SJLPKXTDSA-N 1 0 314.454 3.242 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)CCc2cccs2)[C@@H]1c1ccccc1 ZINC000180139691 277165125 /nfs/dbraw/zinc/16/51/25/277165125.db2.gz PXYNTXWQRPVWJQ-WMZOPIPTSA-N 1 0 314.454 3.242 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2Cc3ccccc3C2)[C@H]1c1ccccc1 ZINC000245651055 277166317 /nfs/dbraw/zinc/16/63/17/277166317.db2.gz MYGGMTDNXGDRJU-RBUKOAKNSA-N 1 0 321.424 3.157 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH3+])c3cccc(F)c32)CC1 ZINC000044136775 277182460 /nfs/dbraw/zinc/18/24/60/277182460.db2.gz POSDVGUKEKEZOK-CQSZACIVSA-N 1 0 320.408 3.498 10 0 DGAERO CC(C)CC1(C(=O)Nc2nc3c(s2)C[NH2+]CC3)CCCC1 ZINC000094905648 277348000 /nfs/dbraw/zinc/34/80/00/277348000.db2.gz XSCFABRBWQYPFD-UHFFFAOYSA-N 1 0 307.463 3.334 10 0 DGAERO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000095944477 277363955 /nfs/dbraw/zinc/36/39/55/277363955.db2.gz GJPDRAYPGFFTGY-QZTJIDSGSA-N 1 0 313.372 3.214 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@@H]2SCCc3ccccc32)CCOCC1 ZINC000453126338 277473948 /nfs/dbraw/zinc/47/39/48/277473948.db2.gz IFRYEZHZGLBMIF-YOEHRIQHSA-N 1 0 321.486 3.191 10 0 DGAERO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)CC2 ZINC000188138305 278051988 /nfs/dbraw/zinc/05/19/88/278051988.db2.gz IILHTLAKXFKTJU-AEFFLSMTSA-N 1 0 315.461 3.143 10 0 DGAERO CC(C)c1csc(NC(=O)NCC[N@H+](C)C2CCCC2)n1 ZINC000171650532 278068071 /nfs/dbraw/zinc/06/80/71/278068071.db2.gz VATWLGRHGOKDCG-UHFFFAOYSA-N 1 0 310.467 3.262 10 0 DGAERO C[C@@H](CC[NH3+])Nc1ncc(Br)cc1C(F)(F)F ZINC000235089366 278230942 /nfs/dbraw/zinc/23/09/42/278230942.db2.gz RHAWKRKQKPRXMY-LURJTMIESA-N 1 0 312.133 3.012 10 0 DGAERO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1N(C)C ZINC000093942428 278336168 /nfs/dbraw/zinc/33/61/68/278336168.db2.gz BEMSBIWFTQNECG-MRXNPFEDSA-N 1 0 324.472 3.467 10 0 DGAERO C[C@@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1nccn1C ZINC000187701975 278352428 /nfs/dbraw/zinc/35/24/28/278352428.db2.gz WEVVGGGNZLMBQJ-VQIMIIECSA-N 1 0 312.461 3.125 10 0 DGAERO CC1(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000478411375 278460447 /nfs/dbraw/zinc/46/04/47/278460447.db2.gz MUVLMSRIFIWEQJ-MRXNPFEDSA-N 1 0 307.482 3.084 10 0 DGAERO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1c[nH+]ccc1N(C)C ZINC000183666487 278500185 /nfs/dbraw/zinc/50/01/85/278500185.db2.gz CVELVTGXLONRRR-HOCLYGCPSA-N 1 0 309.413 3.166 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(COC(C)C)c2)C1 ZINC000068310842 431123410 /nfs/dbraw/zinc/12/34/10/431123410.db2.gz JNCPNGAAEIUKPK-QGZVFWFLSA-N 1 0 319.449 3.217 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489628049 279020565 /nfs/dbraw/zinc/02/05/65/279020565.db2.gz IMVYLOPGDFVUJK-NOVWEMISSA-N 1 0 315.461 3.092 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000252691594 279053153 /nfs/dbraw/zinc/05/31/53/279053153.db2.gz YMLBXDXQRVLYOQ-BIMULSAOSA-N 1 0 312.207 3.040 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCC[C@@H](C)[C@H]2C[NH3+])s1 ZINC000262119078 279072507 /nfs/dbraw/zinc/07/25/07/279072507.db2.gz LTBWCPALOJVNDC-PSASIEDQSA-N 1 0 307.385 3.030 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCCc2sccc21 ZINC000163304498 279159212 /nfs/dbraw/zinc/15/92/12/279159212.db2.gz XYWZPLAMDILUAQ-OCCSQVGLSA-N 1 0 309.479 3.155 10 0 DGAERO CCCO[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000108396190 431141233 /nfs/dbraw/zinc/14/12/33/431141233.db2.gz DUYOYOFAFCPJDP-ROUUACIJSA-N 1 0 321.461 3.016 10 0 DGAERO c1csc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)n1 ZINC000111211288 431201050 /nfs/dbraw/zinc/20/10/50/431201050.db2.gz MQALBIHZCKSUIC-OAHLLOKOSA-N 1 0 300.427 3.458 10 0 DGAERO CCN(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111350523 431216782 /nfs/dbraw/zinc/21/67/82/431216782.db2.gz RRSMBICRWDKPKA-AYHJJNSGSA-N 1 0 315.461 3.233 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070726735 431258236 /nfs/dbraw/zinc/25/82/36/431258236.db2.gz SRMDONAPZVRGJQ-GXFFZTMASA-N 1 0 315.244 3.469 10 0 DGAERO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000070091151 431239072 /nfs/dbraw/zinc/23/90/72/431239072.db2.gz WWNGCYVOTAPULG-UONOGXRCSA-N 1 0 302.447 3.166 10 0 DGAERO CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000111892096 431242564 /nfs/dbraw/zinc/24/25/64/431242564.db2.gz GAWBWHQGHIEZIW-QZTJIDSGSA-N 1 0 317.477 3.019 10 0 DGAERO O[C@@]12CCCC[C@H]1[C@@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000002087639 431245408 /nfs/dbraw/zinc/24/54/08/431245408.db2.gz VQLPEFMVRAUFFW-RRFJBIMHSA-N 1 0 310.235 3.405 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)C1CCCC1 ZINC000070306779 431249103 /nfs/dbraw/zinc/24/91/03/431249103.db2.gz GMTPRJXHDOJMHR-XJKSGUPXSA-N 1 0 311.853 3.386 10 0 DGAERO Cn1nccc1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000071333377 431280184 /nfs/dbraw/zinc/28/01/84/431280184.db2.gz ZBIPTKNBIABONK-UHFFFAOYSA-N 1 0 320.234 3.218 10 0 DGAERO C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237539206 279590309 /nfs/dbraw/zinc/59/03/09/279590309.db2.gz USYISWBCFGDOJN-MISXGVKJSA-N 1 0 312.866 3.064 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112719449 431301697 /nfs/dbraw/zinc/30/16/97/431301697.db2.gz QERVSRCIGJDKFV-QAPCUYQASA-N 1 0 315.461 3.270 10 0 DGAERO COc1cc(C)sc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000070858191 431260986 /nfs/dbraw/zinc/26/09/86/431260986.db2.gz VURLGVRIKGWMMF-AWEZNQCLSA-N 1 0 322.474 3.156 10 0 DGAERO C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000112384198 431269780 /nfs/dbraw/zinc/26/97/80/431269780.db2.gz RCUOCVAJWZGYSN-HNNXBMFYSA-N 1 0 317.477 3.385 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cc2c1C ZINC000113227809 431336145 /nfs/dbraw/zinc/33/61/45/431336145.db2.gz QBSFIQONQGELBD-BLLLJJGKSA-N 1 0 311.429 3.093 10 0 DGAERO Cc1ccc(CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000113232963 431336222 /nfs/dbraw/zinc/33/62/22/431336222.db2.gz MNNZBEUEKJTYSW-WMZOPIPTSA-N 1 0 300.446 3.013 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000113269194 431339111 /nfs/dbraw/zinc/33/91/11/431339111.db2.gz MTBKNPQVZPDOOY-SUMWQHHRSA-N 1 0 315.392 3.149 10 0 DGAERO CC(C)[NH+](CCCNC(=O)N(C)Cc1ccc(F)cc1)C(C)C ZINC000072517421 431339223 /nfs/dbraw/zinc/33/92/23/431339223.db2.gz GPXVKSYJYPAGCE-UHFFFAOYSA-N 1 0 323.456 3.476 10 0 DGAERO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000113451720 431348803 /nfs/dbraw/zinc/34/88/03/431348803.db2.gz IVIGZDHIMQESLG-SFHVURJKSA-N 1 0 322.452 3.301 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H](C)C1 ZINC000113623871 431355531 /nfs/dbraw/zinc/35/55/31/431355531.db2.gz NSIBNQVLBBMEHV-BFYDXBDKSA-N 1 0 307.482 3.081 10 0 DGAERO CC[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(C)cc1 ZINC000113580829 431356071 /nfs/dbraw/zinc/35/60/71/431356071.db2.gz DYBPVERDHDZCBT-SZMVWBNQSA-N 1 0 315.461 3.324 10 0 DGAERO Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(C)cc2C[NH+](C)C)n1 ZINC000113911620 431364977 /nfs/dbraw/zinc/36/49/77/431364977.db2.gz UIFFRYDQRUPAAB-OAHLLOKOSA-N 1 0 314.433 3.070 10 0 DGAERO CC(C)c1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008038047 431376373 /nfs/dbraw/zinc/37/63/73/431376373.db2.gz DCBAFHWPQGHELX-QGZVFWFLSA-N 1 0 321.417 3.423 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2ccccc2Cl)cc1 ZINC000008031310 431376463 /nfs/dbraw/zinc/37/64/63/431376463.db2.gz GQPPRZJQALJXOM-HNNXBMFYSA-N 1 0 309.818 3.122 10 0 DGAERO CC(C)c1ccc([C@@H](C[NH3+])S(=O)(=O)c2cccs2)cc1 ZINC000008038029 431377360 /nfs/dbraw/zinc/37/73/60/431377360.db2.gz VAFVQEVMVBPDGU-CQSZACIVSA-N 1 0 309.456 3.345 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1sc(C)cc1OC(F)F ZINC000114378358 431383938 /nfs/dbraw/zinc/38/39/38/431383938.db2.gz HTRWOWIMKSQZEC-VIFPVBQESA-N 1 0 320.405 3.118 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)cc2)cn1 ZINC000114483865 431390252 /nfs/dbraw/zinc/39/02/52/431390252.db2.gz DAGYBOOZINEDLR-SFHVURJKSA-N 1 0 307.401 3.323 10 0 DGAERO O=c1cc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)nc2ccccn12 ZINC000114494779 431393698 /nfs/dbraw/zinc/39/36/98/431393698.db2.gz KFCOHYRTVIMDKG-LJQANCHMSA-N 1 0 309.413 3.017 10 0 DGAERO CCS[C@H]1CCCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114563072 431397328 /nfs/dbraw/zinc/39/73/28/431397328.db2.gz VQXOKBNPSFHUEU-MSOLQXFVSA-N 1 0 323.502 3.172 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc3ccc(C)nc32)C1 ZINC000114578921 431399002 /nfs/dbraw/zinc/39/90/02/431399002.db2.gz SQCUXVXYTHXQSN-HNNXBMFYSA-N 1 0 312.417 3.149 10 0 DGAERO Cc1ccc(-c2ccc(C[NH2+]CCOCCO)o2)cc1Cl ZINC000010436406 431462965 /nfs/dbraw/zinc/46/29/65/431462965.db2.gz IAGXGURSZHJECB-UHFFFAOYSA-N 1 0 309.793 3.007 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N3CC[NH+](CC(C)C)CC3)cc21 ZINC000116718199 431525787 /nfs/dbraw/zinc/52/57/87/431525787.db2.gz NZZWSPNUGLOVQS-UHFFFAOYSA-N 1 0 317.408 3.029 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000075688520 431491728 /nfs/dbraw/zinc/49/17/28/431491728.db2.gz LDDPABTVPWGUOG-WBVHZDCISA-N 1 0 303.450 3.167 10 0 DGAERO COC(=O)c1cccc(OCC[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116293172 431499216 /nfs/dbraw/zinc/49/92/16/431499216.db2.gz FXTAGWBAIYKNEB-INIZCTEOSA-N 1 0 315.369 3.282 10 0 DGAERO O=c1cc(C[N@@H+]2CCC[C@H]2c2ccco2)c2ccc(O)cc2o1 ZINC000116296995 431503964 /nfs/dbraw/zinc/50/39/64/431503964.db2.gz WYZXYEMSTFQXRO-HNNXBMFYSA-N 1 0 311.337 3.429 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3csc(-c4ccoc4)n3)C2)cn1 ZINC000116318878 431505005 /nfs/dbraw/zinc/50/50/05/431505005.db2.gz BVFHMMUNBWJDID-LBPRGKRZSA-N 1 0 314.414 3.126 10 0 DGAERO C[N@H+](CCNC(=O)N1CCC[C@H]1c1ccco1)C1CCCC1 ZINC000116430109 431512748 /nfs/dbraw/zinc/51/27/48/431512748.db2.gz ZEKHMLWWXDGPAE-HNNXBMFYSA-N 1 0 305.422 3.001 10 0 DGAERO Cc1ncc(CN2CC[NH+](C[C@H](C)c3ccccc3)CC2)s1 ZINC000116878786 431534852 /nfs/dbraw/zinc/53/48/52/431534852.db2.gz MGLWSRPQUYQWKE-HNNXBMFYSA-N 1 0 315.486 3.373 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccccc2)[C@H](C)C1 ZINC000076481789 431553283 /nfs/dbraw/zinc/55/32/83/431553283.db2.gz TWFFBOQTQOCKPI-JZXOWHBKSA-N 1 0 302.462 3.054 10 0 DGAERO CCC[NH2+][C@H](C)Cc1cc(OC)c(Br)cc1OC ZINC000013450467 431553880 /nfs/dbraw/zinc/55/38/80/431553880.db2.gz UGQKMZIPUUQGHA-SNVBAGLBSA-N 1 0 316.239 3.397 10 0 DGAERO CCCC[C@@H](CC)CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000117256289 431554043 /nfs/dbraw/zinc/55/40/43/431554043.db2.gz SMEPDOFZNVLMLM-IAGOWNOFSA-N 1 0 324.509 3.305 10 0 DGAERO O=C(Nc1c(F)cccc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171502243 280003763 /nfs/dbraw/zinc/00/37/63/280003763.db2.gz OMKSHQCURQWMOW-LBPRGKRZSA-N 1 0 309.360 3.057 10 0 DGAERO O=C1CCCN1CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000013727835 431566488 /nfs/dbraw/zinc/56/64/88/431566488.db2.gz LEMFCFRSSQGFBJ-UHFFFAOYSA-N 1 0 301.217 3.096 10 0 DGAERO CC[C@@H](C)Oc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000175950431 280113831 /nfs/dbraw/zinc/11/38/31/280113831.db2.gz JFPYPLCCHSQSFA-OAHLLOKOSA-N 1 0 316.445 3.174 10 0 DGAERO c1cn(-c2ccccc2)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000013744965 431568978 /nfs/dbraw/zinc/56/89/78/431568978.db2.gz GPHWCCPBYXWRBX-UHFFFAOYSA-N 1 0 318.424 3.195 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470941499 280244619 /nfs/dbraw/zinc/24/46/19/280244619.db2.gz WMOQJWAAVZBALD-FQUUOJAGSA-N 1 0 320.399 3.439 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000117767821 431577361 /nfs/dbraw/zinc/57/73/61/431577361.db2.gz WSIFNPNZJVOIFC-JKSUJKDBSA-N 1 0 318.461 3.035 10 0 DGAERO CCCC[N@H+](C)[C@@H]1CCC(=O)N(Cc2ccc(OC)cc2)CC1 ZINC000014958919 431598274 /nfs/dbraw/zinc/59/82/74/431598274.db2.gz URXLOFXSVGJDLF-QGZVFWFLSA-N 1 0 318.461 3.308 10 0 DGAERO CNC(=O)c1ccc(C[N@H+]2CC=C(c3cccs3)CC2)cc1 ZINC000117895937 431583785 /nfs/dbraw/zinc/58/37/85/431583785.db2.gz LNUUFXZHCRYJFI-UHFFFAOYSA-N 1 0 312.438 3.397 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Cl)cc1F ZINC000119184754 431656912 /nfs/dbraw/zinc/65/69/12/431656912.db2.gz OYPJHLFMULTGAB-LRDDRELGSA-N 1 0 324.827 3.344 10 0 DGAERO CCC1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000078355428 431659914 /nfs/dbraw/zinc/65/99/14/431659914.db2.gz HPWKPDRODZIPLI-UHFFFAOYSA-N 1 0 315.461 3.272 10 0 DGAERO CCCOc1ccc([C@@H](C)NC(=O)C[NH+](C)C)cc1OCCC ZINC000015258505 431606679 /nfs/dbraw/zinc/60/66/79/431606679.db2.gz AEGUGZVZKLCWJT-CQSZACIVSA-N 1 0 322.449 3.003 10 0 DGAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CC=CCC1 ZINC000077547219 431608518 /nfs/dbraw/zinc/60/85/18/431608518.db2.gz AKCHEZMVSFNEKC-GOSISDBHSA-N 1 0 313.445 3.190 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1c(F)cccc1Cl ZINC000077730459 431620313 /nfs/dbraw/zinc/62/03/13/431620313.db2.gz XWTVSWXWYRHJGE-LBPRGKRZSA-N 1 0 314.832 3.114 10 0 DGAERO CCCCC[N@H+](CCO)Cc1nc2cc(F)ccc2n1CC ZINC000118825681 431620298 /nfs/dbraw/zinc/62/02/98/431620298.db2.gz SKRZYYAFPSRECU-UHFFFAOYSA-N 1 0 307.413 3.180 10 0 DGAERO CN(Cc1coc(-c2ccc(F)cc2)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842148 431621342 /nfs/dbraw/zinc/62/13/42/431621342.db2.gz TYLPSCVGEIAAKD-CQSZACIVSA-N 1 0 317.408 3.254 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1c[nH]c2ccccc12 ZINC000077730110 431621772 /nfs/dbraw/zinc/62/17/72/431621772.db2.gz OSADLSFVWVUGSX-INIZCTEOSA-N 1 0 315.461 3.193 10 0 DGAERO CC1=[NH+]CCNC2=C1[C@@H](c1ccccc1)N(c1ccccc1)C2=O ZINC000020314965 431622614 /nfs/dbraw/zinc/62/26/14/431622614.db2.gz XLBWYQGOZVJVLI-LJQANCHMSA-N 1 0 317.392 3.093 10 0 DGAERO CN1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)s2)CCC1=O ZINC000077900147 431627358 /nfs/dbraw/zinc/62/73/58/431627358.db2.gz UXZGJMHGTSBQEQ-AWEZNQCLSA-N 1 0 300.427 3.126 10 0 DGAERO CN1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)s2)CCC1=O ZINC000077900146 431629264 /nfs/dbraw/zinc/62/92/64/431629264.db2.gz UXZGJMHGTSBQEQ-CQSZACIVSA-N 1 0 300.427 3.126 10 0 DGAERO CSc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000119071079 431642650 /nfs/dbraw/zinc/64/26/50/431642650.db2.gz PCWSKSCMXWAPLW-DOMZBBRYSA-N 1 0 307.463 3.259 10 0 DGAERO CCC[C@@H](C(=O)NCc1cccc(OCC(C)C)c1)[NH+](C)C ZINC000119085193 431644564 /nfs/dbraw/zinc/64/45/64/431644564.db2.gz NCFOVPXTEDOOIP-KRWDZBQOSA-N 1 0 306.450 3.068 10 0 DGAERO c1sc2ccccc2c1N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423050292 280515890 /nfs/dbraw/zinc/51/58/90/280515890.db2.gz YWNKXQMTYKBYFW-QLFBSQMISA-N 1 0 302.443 3.470 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1C ZINC000119315163 431677346 /nfs/dbraw/zinc/67/73/46/431677346.db2.gz PVRDEBPRGJUVLR-GUYCJALGSA-N 1 0 317.433 3.048 10 0 DGAERO COc1cc(C[C@H](C)[NH3+])cc(OC)c1OCc1ccccc1 ZINC000027300410 431687370 /nfs/dbraw/zinc/68/73/70/431687370.db2.gz IQKPLBJGFPDASR-ZDUSSCGKSA-N 1 0 301.386 3.173 10 0 DGAERO CCC[N@@H+]1CCCN(C(=O)Nc2ccc(N(C)C)c(C)c2)CC1 ZINC000078671398 431694055 /nfs/dbraw/zinc/69/40/55/431694055.db2.gz WPLTYTZNEDZRMB-UHFFFAOYSA-N 1 0 318.465 3.011 10 0 DGAERO Fc1ccc(-c2nn(Cc3ccccc3)c3c2C[NH2+]CC3)cc1 ZINC000028006426 431699596 /nfs/dbraw/zinc/69/95/96/431699596.db2.gz KLMOESRPSWWOGG-UHFFFAOYSA-N 1 0 307.372 3.383 10 0 DGAERO Cc1ccccc1SCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000119524570 431700218 /nfs/dbraw/zinc/70/02/18/431700218.db2.gz VTSXCEIONOUDMP-HOTGVXAUSA-N 1 0 318.486 3.030 10 0 DGAERO CCC(CC)NC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000079810773 431747418 /nfs/dbraw/zinc/74/74/18/431747418.db2.gz UDHXTNFNPQTQIM-UHFFFAOYSA-N 1 0 309.429 3.088 10 0 DGAERO O=C(NCCc1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000121865785 431807597 /nfs/dbraw/zinc/80/75/97/431807597.db2.gz AXOFHLHONAZSOF-LJQANCHMSA-N 1 0 308.425 3.012 10 0 DGAERO Cc1cccc(-c2noc(CN3CCSC(C)(C)C3)n2)c1 ZINC000083416960 431808786 /nfs/dbraw/zinc/80/87/86/431808786.db2.gz BKMINCMWBMBFRA-UHFFFAOYSA-N 1 0 303.431 3.372 10 0 DGAERO Nc1ccc(C(=O)OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000033875364 431817636 /nfs/dbraw/zinc/81/76/36/431817636.db2.gz UYRDSLHSJAYIIU-UHFFFAOYSA-N 1 0 324.424 3.133 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000122623990 431840094 /nfs/dbraw/zinc/84/00/94/431840094.db2.gz QXPKOPGKIKREFR-LJQANCHMSA-N 1 0 319.408 3.268 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCCC3)[C@H](C)C1 ZINC000122633088 431840486 /nfs/dbraw/zinc/84/04/86/431840486.db2.gz WRABJKXYFAPBHD-DNVCBOLYSA-N 1 0 314.473 3.368 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000085972592 431842361 /nfs/dbraw/zinc/84/23/61/431842361.db2.gz NBUDKCFVWGGUAM-HZMBPMFUSA-N 1 0 316.214 3.229 10 0 DGAERO CCC[C@@H]([NH3+])C(=O)Nc1ccccc1SCC(F)(F)F ZINC000037020353 431842477 /nfs/dbraw/zinc/84/24/77/431842477.db2.gz BTVRYWCXSHPAMX-SECBINFHSA-N 1 0 306.353 3.407 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000085985010 431843113 /nfs/dbraw/zinc/84/31/13/431843113.db2.gz HHOVVBQBRCIZNK-HZMBPMFUSA-N 1 0 316.214 3.229 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1O ZINC000122764151 431843979 /nfs/dbraw/zinc/84/39/79/431843979.db2.gz QKBQXKGYRPKTIW-OAHLLOKOSA-N 1 0 315.417 3.088 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1)CCO2 ZINC000037232234 431845036 /nfs/dbraw/zinc/84/50/36/431845036.db2.gz RTPVUPCSMUFYIC-AWEZNQCLSA-N 1 0 319.202 3.458 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC[N@@H+]1C ZINC000122907622 431849055 /nfs/dbraw/zinc/84/90/55/431849055.db2.gz DQLVVQNQSJIHNQ-QHSBEEBCSA-N 1 0 322.399 3.009 10 0 DGAERO O=S1(=O)CC[C@H]([NH2+]CCC2CCCC2)c2cc(F)ccc21 ZINC000037739654 431850078 /nfs/dbraw/zinc/85/00/78/431850078.db2.gz DQFTWSZUOMTVHI-HNNXBMFYSA-N 1 0 311.422 3.214 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)c1 ZINC000123042044 431853641 /nfs/dbraw/zinc/85/36/41/431853641.db2.gz UKBMPHSIZQWASC-SFHVURJKSA-N 1 0 309.413 3.304 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)c1 ZINC000123066904 431854231 /nfs/dbraw/zinc/85/42/31/431854231.db2.gz VJKAMROOSTWOPC-OAHLLOKOSA-N 1 0 301.438 3.049 10 0 DGAERO OC[C@H]([NH2+]Cc1ccccc1)c1cccc(Br)c1 ZINC000038110978 431855307 /nfs/dbraw/zinc/85/53/07/431855307.db2.gz MLVMGWBQAFPLBD-HNNXBMFYSA-N 1 0 306.203 3.272 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H](C)N(C)C ZINC000038088612 431855429 /nfs/dbraw/zinc/85/54/29/431855429.db2.gz QKVWDGREKYTPSA-OLZOCXBDSA-N 1 0 300.393 3.149 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)CCSc2ccc(F)cc2)CC[N@@H+]1C ZINC000123383742 431862886 /nfs/dbraw/zinc/86/28/86/431862886.db2.gz UYFFWHRQEOAKMQ-DZGCQCFKSA-N 1 0 324.465 3.249 10 0 DGAERO CC(C)c1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123422632 431864946 /nfs/dbraw/zinc/86/49/46/431864946.db2.gz OLVVRFAVMLMHCU-CRAIPNDOSA-N 1 0 317.477 3.163 10 0 DGAERO O=C(c1ccccc1)N1CCC(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000123435416 431865096 /nfs/dbraw/zinc/86/50/96/431865096.db2.gz ZLDDLNLLIHBWSO-KRWDZBQOSA-N 1 0 312.457 3.485 10 0 DGAERO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000123501346 431866472 /nfs/dbraw/zinc/86/64/72/431866472.db2.gz FYZFHEDQBPJASL-SCLBCKFNSA-N 1 0 310.397 3.299 10 0 DGAERO Cc1cc(C)cc(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123599495 431868520 /nfs/dbraw/zinc/86/85/20/431868520.db2.gz MXVVRDGQIRJXCR-SJORKVTESA-N 1 0 318.461 3.013 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)n1 ZINC000089518080 431868528 /nfs/dbraw/zinc/86/85/28/431868528.db2.gz MRHSTLGBYBKEDP-GHMZBOCLSA-N 1 0 316.430 3.312 10 0 DGAERO CC[C@@H]([NH2+]CCc1nc(C)no1)c1ccc(Br)cc1 ZINC000089518603 431868640 /nfs/dbraw/zinc/86/86/40/431868640.db2.gz MFWKZHCSYJDLMW-CYBMUJFWSA-N 1 0 324.222 3.424 10 0 DGAERO Cc1nc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)sc1C ZINC000043549181 431869220 /nfs/dbraw/zinc/86/92/20/431869220.db2.gz OTWNVDJKNWOYQN-QWRGUYRKSA-N 1 0 310.467 3.002 10 0 DGAERO CCC(CC)[C@H](CNC(=O)Nc1nccs1)[NH+]1CCCC1 ZINC000043644299 431869253 /nfs/dbraw/zinc/86/92/53/431869253.db2.gz REIVLRQAAQUJMX-ZDUSSCGKSA-N 1 0 310.467 3.165 10 0 DGAERO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc2sccc2s1 ZINC000123657762 431870356 /nfs/dbraw/zinc/87/03/56/431870356.db2.gz NKJADBHMEZTKHZ-JTQLQIEISA-N 1 0 306.456 3.367 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)CCCO2 ZINC000089546483 431870781 /nfs/dbraw/zinc/87/07/81/431870781.db2.gz FPRUMAIHTROPKJ-SFHVURJKSA-N 1 0 324.424 3.140 10 0 DGAERO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000122420503 431833011 /nfs/dbraw/zinc/83/30/11/431833011.db2.gz SENHWOPZACNQOV-YOEHRIQHSA-N 1 0 316.445 3.234 10 0 DGAERO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)C(C)C)cc1 ZINC000036102111 431834830 /nfs/dbraw/zinc/83/48/30/431834830.db2.gz WYEQFYIPLRQTRA-GOSISDBHSA-N 1 0 303.402 3.307 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2F)[C@H](C)C1 ZINC000122557430 431836936 /nfs/dbraw/zinc/83/69/36/431836936.db2.gz IIUQYVBRVHIELL-ABAIWWIYSA-N 1 0 312.816 3.281 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C)c(C)cc3C)[C@H]2C1 ZINC000092095201 431907794 /nfs/dbraw/zinc/90/77/94/431907794.db2.gz SIUMLTIGDTUNDF-QYZOEREBSA-N 1 0 303.446 3.380 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccn2CCC(C)C)C1 ZINC000092708750 431910804 /nfs/dbraw/zinc/91/08/04/431910804.db2.gz JJIQMDNROQPFJI-QGZVFWFLSA-N 1 0 319.493 3.415 10 0 DGAERO COc1c(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)c(C)nn1C ZINC000093563007 431916380 /nfs/dbraw/zinc/91/63/80/431916380.db2.gz YUKHYJSFQFSJQF-HOCLYGCPSA-N 1 0 313.445 3.424 10 0 DGAERO C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000047885396 431916658 /nfs/dbraw/zinc/91/66/58/431916658.db2.gz VHRIVSWTCJQDAC-AWEZNQCLSA-N 1 0 311.429 3.294 10 0 DGAERO Brc1ccc(C[C@@H]2COCC[C@@H]2[NH2+]C2CC2)cc1 ZINC000095079469 431921328 /nfs/dbraw/zinc/92/13/28/431921328.db2.gz BDCJZGMUZJZHKA-DOMZBBRYSA-N 1 0 310.235 3.149 10 0 DGAERO C[C@H](c1ccccn1)[N@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088719 431921581 /nfs/dbraw/zinc/92/15/81/431921581.db2.gz PAEUAVJGVSSORT-HUUCEWRRSA-N 1 0 319.449 3.474 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095089103 431922301 /nfs/dbraw/zinc/92/23/01/431922301.db2.gz TYDYHDVNDQAIRX-UONOGXRCSA-N 1 0 307.438 3.455 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089733021 431876051 /nfs/dbraw/zinc/87/60/51/431876051.db2.gz FYCNNAONHUCOBT-YJBOKZPZSA-N 1 0 310.445 3.359 10 0 DGAERO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732100 431876293 /nfs/dbraw/zinc/87/62/93/431876293.db2.gz QCLMWCXOZUYVQM-ZWKOTPCHSA-N 1 0 310.445 3.056 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc2c(c1)CCC2 ZINC000089732314 431876561 /nfs/dbraw/zinc/87/65/61/431876561.db2.gz IKDJQRWHVBCTPZ-KXBFYZLASA-N 1 0 322.456 3.285 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2cccc(-n3cccc3)c2)CC[N@@H+]1C ZINC000123880992 431876854 /nfs/dbraw/zinc/87/68/54/431876854.db2.gz WNDLOOFJJZQTOT-DOTOQJQBSA-N 1 0 311.429 3.032 10 0 DGAERO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089733410 431876927 /nfs/dbraw/zinc/87/69/27/431876927.db2.gz PUXWYVWSASTUKU-HKUYNNGSSA-N 1 0 324.472 3.365 10 0 DGAERO CCCc1cc(N2CCC[C@H](NC(C)=O)C2)c2ccccc2[nH+]1 ZINC000123864840 431877047 /nfs/dbraw/zinc/87/70/47/431877047.db2.gz GOEQGDILGNXMAX-INIZCTEOSA-N 1 0 311.429 3.292 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2scnc2C2CC2)C1 ZINC000089751388 431877433 /nfs/dbraw/zinc/87/74/33/431877433.db2.gz ZAEXFJYRPLRSAZ-BETUJISGSA-N 1 0 321.490 3.118 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1scnc1C1CC1 ZINC000089827304 431881296 /nfs/dbraw/zinc/88/12/96/431881296.db2.gz DNOUMLOCGNKMNC-CYBMUJFWSA-N 1 0 307.463 3.015 10 0 DGAERO CCOc1cc(C[NH2+]C[C@@](C)(O)CCC(C)C)ccc1OC ZINC000124045924 431882318 /nfs/dbraw/zinc/88/23/18/431882318.db2.gz FGTFENBYISKWHS-SFHVURJKSA-N 1 0 309.450 3.371 10 0 DGAERO c1sc(CC[NH2+]Cc2cncnc2)nc1C1CCCCC1 ZINC000124159180 431884531 /nfs/dbraw/zinc/88/45/31/431884531.db2.gz MZJMKAGGWGMLGC-UHFFFAOYSA-N 1 0 302.447 3.313 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000124201545 431886584 /nfs/dbraw/zinc/88/65/84/431886584.db2.gz DQBKACJBJWGXHP-VIFPVBQESA-N 1 0 311.351 3.348 10 0 DGAERO C[C@H]1C[C@@H](N(C)c2nc(-c3ccccc3)ns2)CC[N@@H+]1C ZINC000125449231 431925608 /nfs/dbraw/zinc/92/56/08/431925608.db2.gz LQQYTLVZUMLUIB-JSGCOSHPSA-N 1 0 302.447 3.124 10 0 DGAERO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000090003712 431888859 /nfs/dbraw/zinc/88/88/59/431888859.db2.gz WWTAJPFXEGSSKW-INIZCTEOSA-N 1 0 320.440 3.423 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)CCCO2 ZINC000090178432 431890074 /nfs/dbraw/zinc/89/00/74/431890074.db2.gz RPPFZZBODSZADK-HOCLYGCPSA-N 1 0 316.445 3.198 10 0 DGAERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000125440779 431925705 /nfs/dbraw/zinc/92/57/05/431925705.db2.gz FOPAEHKNVUINTP-QFBILLFUSA-N 1 0 305.462 3.325 10 0 DGAERO COc1cccc(C(=O)N(CC[NH+](C)C)C2CCCCC2)c1F ZINC000090527522 431892488 /nfs/dbraw/zinc/89/24/88/431892488.db2.gz GANVKNYFKPXILU-UHFFFAOYSA-N 1 0 322.424 3.171 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000124418329 431893238 /nfs/dbraw/zinc/89/32/38/431893238.db2.gz ZBWMCTXLFHKFFQ-CQSZACIVSA-N 1 0 303.450 3.079 10 0 DGAERO CC(=O)Oc1ccc(CN2CCO[C@H](c3cccs3)C2)cc1 ZINC000124472976 431894894 /nfs/dbraw/zinc/89/48/94/431894894.db2.gz XHHMPDKMRWSSEE-INIZCTEOSA-N 1 0 317.410 3.247 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cn1 ZINC000090880025 431896551 /nfs/dbraw/zinc/89/65/51/431896551.db2.gz SGHZPHLQPHQGBQ-GJZGRUSLSA-N 1 0 324.432 3.457 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC[N@@H+]1C ZINC000124546295 431897498 /nfs/dbraw/zinc/89/74/98/431897498.db2.gz ZYRDHLRQKYJJSX-YIYPIFLZSA-N 1 0 322.399 3.009 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC[N@@H+]1C ZINC000124571410 431897896 /nfs/dbraw/zinc/89/78/96/431897896.db2.gz PIMHNDGIUIYXJH-XKVFNRALSA-N 1 0 322.399 3.009 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000046889477 431901738 /nfs/dbraw/zinc/90/17/38/431901738.db2.gz IWZAJLHMTHORNB-UHFFFAOYSA-N 1 0 321.852 3.108 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3ccccc3c2O)CC[N@@H+]1C ZINC000124747241 431903567 /nfs/dbraw/zinc/90/35/67/431903567.db2.gz RAWDXUJWJCSLOY-UKRRQHHQSA-N 1 0 312.413 3.100 10 0 DGAERO CCc1cc(N2CCC[C@H](n3cncn3)C2)c2ccccc2[nH+]1 ZINC000124786363 431904163 /nfs/dbraw/zinc/90/41/63/431904163.db2.gz DGRXZSXHUITMTO-HNNXBMFYSA-N 1 0 307.401 3.230 10 0 DGAERO OC[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)c1ccccc1 ZINC000127469489 431973530 /nfs/dbraw/zinc/97/35/30/431973530.db2.gz CGSJVQVMVOIAII-OAHLLOKOSA-N 1 0 324.193 3.411 10 0 DGAERO CN(Cc1cccs1)C(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055059528 431975145 /nfs/dbraw/zinc/97/51/45/431975145.db2.gz JTSYYBGTOCAPNG-UHFFFAOYSA-N 1 0 320.433 3.020 10 0 DGAERO CN(C)C(=O)c1cccc(C[N@H+](C)CCc2ccc(F)cc2)c1 ZINC000055025939 431975514 /nfs/dbraw/zinc/97/55/14/431975514.db2.gz QLVXSWYRWJASCH-UHFFFAOYSA-N 1 0 314.404 3.202 10 0 DGAERO O[C@H](CNc1nc(-c2ccccc2)cs1)C[NH+]1CCCCC1 ZINC000125539084 431929001 /nfs/dbraw/zinc/92/90/01/431929001.db2.gz OTTNPZCXAGIIMP-OAHLLOKOSA-N 1 0 317.458 3.069 10 0 DGAERO C[C@H]1CC[C@H](NC(=O)NCC2CC[NH+](C)CC2)c2ccccc21 ZINC000125671511 431932420 /nfs/dbraw/zinc/93/24/20/431932420.db2.gz TZJCESYHRJUDBJ-KSSFIOAISA-N 1 0 315.461 3.266 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000125654321 431932782 /nfs/dbraw/zinc/93/27/82/431932782.db2.gz HNUVHTUCNGWZSW-VQIMIIECSA-N 1 0 321.461 3.161 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc(C(F)(F)F)c1 ZINC000125697508 431933287 /nfs/dbraw/zinc/93/32/87/431933287.db2.gz PYESDWBWJQJTTE-SWLSCSKDSA-N 1 0 317.351 3.145 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc2c(c1)CCCC2 ZINC000125765332 431935428 /nfs/dbraw/zinc/93/54/28/431935428.db2.gz DTZVARQNRNCOBV-KXBFYZLASA-N 1 0 303.446 3.005 10 0 DGAERO CN(C)c1ccccc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000125918488 431937764 /nfs/dbraw/zinc/93/77/64/431937764.db2.gz RAAZIIDJTIDFNX-QGZVFWFLSA-N 1 0 302.443 3.388 10 0 DGAERO CCCn1cc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cn1 ZINC000126182648 431944805 /nfs/dbraw/zinc/94/48/05/431944805.db2.gz SJBIXWDZEGZBKT-LJQANCHMSA-N 1 0 313.445 3.165 10 0 DGAERO CC[C@@H]([NH2+]CCCn1ccnn1)c1cccc(Br)c1 ZINC000126599016 431954395 /nfs/dbraw/zinc/95/43/95/431954395.db2.gz CPRKNYJDJNZDTD-CQSZACIVSA-N 1 0 323.238 3.172 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCSc3ccccc32)C1 ZINC000052498976 431956672 /nfs/dbraw/zinc/95/66/72/431956672.db2.gz ZNHVGKAHSVDWJU-UKRRQHHQSA-N 1 0 319.474 3.007 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000052555334 431956733 /nfs/dbraw/zinc/95/67/33/431956733.db2.gz ZLCYVQLUFWKVJW-KRWDZBQOSA-N 1 0 316.832 3.302 10 0 DGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1csc(Br)c1 ZINC000052762676 431958184 /nfs/dbraw/zinc/95/81/84/431958184.db2.gz POHAPEPCEYRLPY-NSHDSACASA-N 1 0 304.253 3.248 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C)c(Br)cn1 ZINC000126813564 431959074 /nfs/dbraw/zinc/95/90/74/431959074.db2.gz UBVZKKULVFEEFO-GFCCVEGCSA-N 1 0 312.255 3.073 10 0 DGAERO CCc1ccsc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000053058899 431960819 /nfs/dbraw/zinc/96/08/19/431960819.db2.gz YUCBQGGFENIZOI-UHFFFAOYSA-N 1 0 306.475 3.259 10 0 DGAERO CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000127091785 431964655 /nfs/dbraw/zinc/96/46/55/431964655.db2.gz NLXRROSUSJTROQ-INIZCTEOSA-N 1 0 322.493 3.105 10 0 DGAERO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000127091555 431964947 /nfs/dbraw/zinc/96/49/47/431964947.db2.gz NLXRROSUSJTROQ-MRXNPFEDSA-N 1 0 322.493 3.105 10 0 DGAERO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000127140173 431965182 /nfs/dbraw/zinc/96/51/82/431965182.db2.gz OFKXDSSOFKIIIP-QMMMGPOBSA-N 1 0 306.631 3.352 10 0 DGAERO FC(F)(F)CN1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000127157528 431966080 /nfs/dbraw/zinc/96/60/80/431966080.db2.gz YUHIBANNPMEJPJ-CQSZACIVSA-N 1 0 320.399 3.095 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000127262332 431968473 /nfs/dbraw/zinc/96/84/73/431968473.db2.gz YFNCTZLVUKYOBZ-DOMZBBRYSA-N 1 0 321.852 3.107 10 0 DGAERO O[C@H](Cn1cccn1)C[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000054338581 431969462 /nfs/dbraw/zinc/96/94/62/431969462.db2.gz ZJFUMIVMCUGFLG-IBGZPJMESA-N 1 0 313.445 3.079 10 0 DGAERO CCN(C(=O)C[NH+]1CCC(OCC(C)C)CC1)C1CCCCC1 ZINC000054324762 431970007 /nfs/dbraw/zinc/97/00/07/431970007.db2.gz SJDKYJUDRXMLTA-UHFFFAOYSA-N 1 0 324.509 3.305 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1cccc(Cl)c1 ZINC000127909171 431983415 /nfs/dbraw/zinc/98/34/15/431983415.db2.gz QSUIDQNWUGAZTI-IXDOHACOSA-N 1 0 319.836 3.343 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCc2nccs2)cc1NC(C)=O ZINC000127955420 431984288 /nfs/dbraw/zinc/98/42/88/431984288.db2.gz GITCCSJVMLXFOG-LLVKDONJSA-N 1 0 319.430 3.003 10 0 DGAERO C[C@@H](CN1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000127947654 431984325 /nfs/dbraw/zinc/98/43/25/431984325.db2.gz POPREBBOUBRYHR-ZDUSSCGKSA-N 1 0 323.278 3.333 10 0 DGAERO CC(=O)Nc1cccc(C[N@H+](C)CCc2ccc(F)cc2)c1 ZINC000101545402 431985067 /nfs/dbraw/zinc/98/50/67/431985067.db2.gz DSLCJPLZIFLQLN-UHFFFAOYSA-N 1 0 300.377 3.459 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000101733556 431988783 /nfs/dbraw/zinc/98/87/83/431988783.db2.gz DCIKOACOFZTTIO-OAHLLOKOSA-N 1 0 324.465 3.299 10 0 DGAERO C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@H]1CCCO1 ZINC000128072637 431987273 /nfs/dbraw/zinc/98/72/73/431987273.db2.gz SZCAHQWMLISORV-OAHLLOKOSA-N 1 0 305.809 3.341 10 0 DGAERO CC[N@H+](CCNC(=O)N[C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000101974845 431990170 /nfs/dbraw/zinc/99/01/70/431990170.db2.gz GSJLJWMVEWUWCT-LBPRGKRZSA-N 1 0 309.841 3.185 10 0 DGAERO Cc1ccc(CC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)s1 ZINC000057048201 431990430 /nfs/dbraw/zinc/99/04/30/431990430.db2.gz DPIKHSPSAWXJCR-CXAGYDPISA-N 1 0 308.491 3.226 10 0 DGAERO Cc1cccc2c1OCC[C@H]2NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000191451290 281288331 /nfs/dbraw/zinc/28/83/31/281288331.db2.gz HAJFXEPTHSSBAP-QSJFSLAZSA-N 1 0 316.445 3.196 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](n2cncn2)C1 ZINC000185299997 281308074 /nfs/dbraw/zinc/30/80/74/281308074.db2.gz PMIDYNKWOASOHK-HNNXBMFYSA-N 1 0 307.401 3.285 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(C)nc2scc(C)c21 ZINC000302265079 288317959 /nfs/dbraw/zinc/31/79/59/288317959.db2.gz FMTDKGHHRQQTDD-KBPBESRZSA-N 1 0 316.474 3.371 10 0 DGAERO CC[NH+](CC)CCCN1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000191794837 432303133 /nfs/dbraw/zinc/30/31/33/432303133.db2.gz UUFPUTKUQGWCDO-QAPCUYQASA-N 1 0 308.441 3.319 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)c1cccc(Cl)c1 ZINC000248127555 432270344 /nfs/dbraw/zinc/27/03/44/432270344.db2.gz OBQWCHHLVZLJAI-USXIJHARSA-N 1 0 309.837 3.000 10 0 DGAERO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nc2cc(F)ccc2o1 ZINC000151732316 432271064 /nfs/dbraw/zinc/27/10/64/432271064.db2.gz IYZHLIBTAFTNRF-CQSZACIVSA-N 1 0 305.397 3.273 10 0 DGAERO Cc1sc2nc([C@H](C)[NH2+][C@@H](C)[C@@H]3CCCO3)nc(N)c2c1C ZINC000183235313 432272576 /nfs/dbraw/zinc/27/25/76/432272576.db2.gz COFJQQFYUNAHKE-NHCYSSNCSA-N 1 0 320.462 3.108 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1Cl ZINC000173330187 432272765 /nfs/dbraw/zinc/27/27/65/432272765.db2.gz UWSMQAMVMQGGPV-LSDHHAIUSA-N 1 0 321.852 3.108 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCSC1)c1nc(-c2cccc(F)c2)no1 ZINC000191531102 432274568 /nfs/dbraw/zinc/27/45/68/432274568.db2.gz MMPWUSAPZWGOEK-MFKMUULPSA-N 1 0 307.394 3.422 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000173380036 432275400 /nfs/dbraw/zinc/27/54/00/432275400.db2.gz DLPATZYHEVAJMG-ZBFHGGJFSA-N 1 0 308.491 3.170 10 0 DGAERO C[C@@H]1CC[C@@H](C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)O1 ZINC000248295171 432278608 /nfs/dbraw/zinc/27/86/08/432278608.db2.gz YJLWAHFSZKEPET-NUJGCVRESA-N 1 0 322.493 3.057 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000191574676 432279813 /nfs/dbraw/zinc/27/98/13/432279813.db2.gz MNWCGGXVTAJOBP-IBGZPJMESA-N 1 0 313.441 3.399 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248347599 432280287 /nfs/dbraw/zinc/28/02/87/432280287.db2.gz NPCGXIPQEIQBBY-PBHICJAKSA-N 1 0 314.408 3.304 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000173465594 432280487 /nfs/dbraw/zinc/28/04/87/432280487.db2.gz WNOPOECGIMJRLR-LSDHHAIUSA-N 1 0 307.438 3.165 10 0 DGAERO O=C(NCCCCC1CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173461680 432280649 /nfs/dbraw/zinc/28/06/49/432280649.db2.gz VHUAGWTXGNTSDF-KRWDZBQOSA-N 1 0 305.466 3.003 10 0 DGAERO C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000173474055 432281217 /nfs/dbraw/zinc/28/12/17/432281217.db2.gz RSURMQNHWGOWLG-CQSZACIVSA-N 1 0 304.409 3.016 10 0 DGAERO C[NH+](C)CCOc1cc(CNc2ccc3ccccc3n2)ccn1 ZINC000270728444 432282888 /nfs/dbraw/zinc/28/28/88/432282888.db2.gz QKZFHIRYVFGVOY-UHFFFAOYSA-N 1 0 322.412 3.182 10 0 DGAERO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248386268 432283487 /nfs/dbraw/zinc/28/34/87/432283487.db2.gz LXAWRTHNQQKCNS-RHSMWYFYSA-N 1 0 302.397 3.075 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2csc(-c3ccccn3)n2)CC[N@@H+]1C ZINC000173526137 432284084 /nfs/dbraw/zinc/28/40/84/432284084.db2.gz GDYIMJRBGPEKAS-DZGCQCFKSA-N 1 0 316.474 3.120 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H]1C ZINC000191628352 432284225 /nfs/dbraw/zinc/28/42/25/432284225.db2.gz XVESLRZERUNCPP-OUJBWJOFSA-N 1 0 314.223 3.286 10 0 DGAERO C[C@H](C[NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)cc1F ZINC000151884264 432285383 /nfs/dbraw/zinc/28/53/83/432285383.db2.gz VRYKEBGDEYMMJJ-BZNIZROVSA-N 1 0 305.372 3.469 10 0 DGAERO O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000173533594 432286326 /nfs/dbraw/zinc/28/63/26/432286326.db2.gz OCADLXZXGCGJIY-SFHVURJKSA-N 1 0 322.880 3.181 10 0 DGAERO C[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)n2C)[C@@H]2CCCC[C@H]21 ZINC000248433035 432290124 /nfs/dbraw/zinc/29/01/24/432290124.db2.gz QNRLXMUQHWKHIE-HYVNUMGLSA-N 1 0 310.445 3.493 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@@H](O)COC(C)(C)C)C2)c1 ZINC000248450822 432292696 /nfs/dbraw/zinc/29/26/96/432292696.db2.gz IURBWRTYCGGJPM-SJLPKXTDSA-N 1 0 305.462 3.269 10 0 DGAERO CCOc1c(F)cccc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000173673129 432293280 /nfs/dbraw/zinc/29/32/80/432293280.db2.gz WABYFXYPYMUOHJ-CQSZACIVSA-N 1 0 322.424 3.076 10 0 DGAERO c1cc2c(cc1[C@@H]([NH2+][C@H]1CCCSC1)C1CC1)OCCO2 ZINC000183458841 432294881 /nfs/dbraw/zinc/29/48/81/432294881.db2.gz KEIKWADEBHFLRP-YOEHRIQHSA-N 1 0 305.443 3.394 10 0 DGAERO CCC[N@@H+]1CC[C@H](CN[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248464053 432294952 /nfs/dbraw/zinc/29/49/52/432294952.db2.gz ZERRZJVDQKIYCA-PBHICJAKSA-N 1 0 306.425 3.361 10 0 DGAERO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc(Cl)cc1 ZINC000183471854 432296412 /nfs/dbraw/zinc/29/64/12/432296412.db2.gz SBBSYOSNFWZCAU-NSHDSACASA-N 1 0 303.793 3.292 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000191754361 432297452 /nfs/dbraw/zinc/29/74/52/432297452.db2.gz YZMWECJXTVUXQS-NOZJJQNGSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)C2CCCC2)CC[N@@H+]1C ZINC000152024966 432298211 /nfs/dbraw/zinc/29/82/11/432298211.db2.gz ZUNQGNBUXZFSSV-ZBFHGGJFSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000191756178 432299598 /nfs/dbraw/zinc/29/95/98/432299598.db2.gz MJYYHWRIPHAUAL-RISCZKNCSA-N 1 0 303.324 3.142 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000191756926 432299757 /nfs/dbraw/zinc/29/97/57/432299757.db2.gz UCFRJXPWLRQMJZ-ZANVPECISA-N 1 0 302.187 3.103 10 0 DGAERO CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1OC ZINC000191754811 432299966 /nfs/dbraw/zinc/29/99/66/432299966.db2.gz YBJOROZFFBFTPC-GOEBONIOSA-N 1 0 307.434 3.389 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c(OCC)c2)C1 ZINC000173810133 432301491 /nfs/dbraw/zinc/30/14/91/432301491.db2.gz WHVCZTMCNJRKEG-INIZCTEOSA-N 1 0 318.461 3.198 10 0 DGAERO CC[NH+](CC)CCCNC1(c2noc(C3CC3)n2)CCCC1 ZINC000191800588 432302260 /nfs/dbraw/zinc/30/22/60/432302260.db2.gz BCXQUOAIFZCFJI-UHFFFAOYSA-N 1 0 306.454 3.038 10 0 DGAERO C[C@@H]1C[C@H]1[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000248562172 432302397 /nfs/dbraw/zinc/30/23/97/432302397.db2.gz NJXFBNVSAMEISX-VCTAVGKDSA-N 1 0 318.218 3.327 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)cn1 ZINC000128427205 431994087 /nfs/dbraw/zinc/99/40/87/431994087.db2.gz XDKOJCTXSXNEGK-OAHLLOKOSA-N 1 0 311.429 3.123 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000128522483 431995859 /nfs/dbraw/zinc/99/58/59/431995859.db2.gz MWCMQGOTTIMVAV-RYRKJORJSA-N 1 0 317.477 3.428 10 0 DGAERO CC(C)[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000060955996 432000679 /nfs/dbraw/zinc/00/06/79/432000679.db2.gz BKDDXAWLJMXEDG-HNNXBMFYSA-N 1 0 303.450 3.126 10 0 DGAERO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1SC ZINC000248014552 432262133 /nfs/dbraw/zinc/26/21/33/432262133.db2.gz LPRIFHLXEZUBLG-JKSUJKDBSA-N 1 0 320.502 3.333 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000183148528 432263760 /nfs/dbraw/zinc/26/37/60/432263760.db2.gz SCQDARJPFHNCPE-QZTJIDSGSA-N 1 0 309.413 3.318 10 0 DGAERO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000248586923 432303061 /nfs/dbraw/zinc/30/30/61/432303061.db2.gz QHKUKMWYJDIZKA-DAYGRLMNSA-N 1 0 318.461 3.383 10 0 DGAERO CCN(CC(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248084936 432268044 /nfs/dbraw/zinc/26/80/44/432268044.db2.gz SNTDHLXWPSGFDT-IRXDYDNUSA-N 1 0 303.450 3.119 10 0 DGAERO OCC[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)C1CCCCC1 ZINC000183718268 432319535 /nfs/dbraw/zinc/31/95/35/432319535.db2.gz ZVVDRPKVDZGDJK-OAHLLOKOSA-N 1 0 307.438 3.148 10 0 DGAERO Cc1c[nH+]ccc1NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000191980771 432319668 /nfs/dbraw/zinc/31/96/68/432319668.db2.gz FGBORRVSGOQFSX-GDBMZVCRSA-N 1 0 317.458 3.325 10 0 DGAERO CCn1cc([C@@H]2C[N@H+](CC[C@H](C)c3ccccc3)CCO2)cn1 ZINC000248823526 432320311 /nfs/dbraw/zinc/32/03/11/432320311.db2.gz FNSXVTRSQLXNFS-LPHOPBHVSA-N 1 0 313.445 3.470 10 0 DGAERO CCNc1ccc(Cl)cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248819534 432320914 /nfs/dbraw/zinc/32/09/14/432320914.db2.gz BFNIMNXJVKZBTG-JSGCOSHPSA-N 1 0 323.868 3.327 10 0 DGAERO C[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1cccc(Cl)c1 ZINC000174164902 432325546 /nfs/dbraw/zinc/32/55/46/432325546.db2.gz RMKHWBSORKZVQM-VIFPVBQESA-N 1 0 308.731 3.011 10 0 DGAERO CCCC[C@H](CC)C[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000248883931 432326247 /nfs/dbraw/zinc/32/62/47/432326247.db2.gz PMELJYOIOSTPPL-RBUKOAKNSA-N 1 0 309.542 3.305 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)CSc2ccccc2C)C1 ZINC000174172311 432327297 /nfs/dbraw/zinc/32/72/97/432327297.db2.gz IVNWEYRGAKVJLL-HNNXBMFYSA-N 1 0 306.475 3.030 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)c(F)c1 ZINC000174197834 432329188 /nfs/dbraw/zinc/32/91/88/432329188.db2.gz FCWHSHKDMSIVGU-TZMCWYRMSA-N 1 0 320.387 3.018 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1OC ZINC000248935973 432329292 /nfs/dbraw/zinc/32/92/92/432329292.db2.gz YGZXFFFPCROLOK-XGWLTEMNSA-N 1 0 305.418 3.312 10 0 DGAERO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCc4ccccc43)C2)cn1 ZINC000174196996 432329427 /nfs/dbraw/zinc/32/94/27/432329427.db2.gz NGVSHATXGDDIEC-QFBILLFUSA-N 1 0 310.445 3.056 10 0 DGAERO CC[C@H](C(=O)OC(C)(C)C)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000248911973 432329978 /nfs/dbraw/zinc/32/99/78/432329978.db2.gz YKRBTGQTRZHUDN-OWCLPIDISA-N 1 0 310.482 3.054 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)Nc1cccc(Cl)n1)c1ccccc1 ZINC000183856033 432330455 /nfs/dbraw/zinc/33/04/55/432330455.db2.gz ISTDCAAUNLCNRS-ZDUSSCGKSA-N 1 0 318.808 3.159 10 0 DGAERO c1nnc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4o3)C2)n1C1CC1 ZINC000152435250 432332181 /nfs/dbraw/zinc/33/21/81/432332181.db2.gz XPNOHYYANSSCQH-CYBMUJFWSA-N 1 0 323.400 3.134 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000184104705 432355337 /nfs/dbraw/zinc/35/53/37/432355337.db2.gz GZJJTAGXTOGEAV-LBPRGKRZSA-N 1 0 313.392 3.154 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)on2)cn1 ZINC000249052068 432336613 /nfs/dbraw/zinc/33/66/13/432336613.db2.gz WXBDBTSFKBRMQM-SUMWQHHRSA-N 1 0 300.406 3.230 10 0 DGAERO FC(F)c1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000183938355 432336696 /nfs/dbraw/zinc/33/66/96/432336696.db2.gz FGMNJEZJDWTYIX-UHFFFAOYSA-N 1 0 318.371 3.127 10 0 DGAERO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)C1CCCCC1 ZINC000249081283 432338387 /nfs/dbraw/zinc/33/83/87/432338387.db2.gz MOOANBWDGJOUPC-VQIMIIECSA-N 1 0 305.462 3.201 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1C ZINC000249111331 432340178 /nfs/dbraw/zinc/34/01/78/432340178.db2.gz APSIYVMPCBTSFC-MLGOLLRUSA-N 1 0 303.381 3.073 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000249215524 432342800 /nfs/dbraw/zinc/34/28/00/432342800.db2.gz ZSUUZNYZQCKRJS-HFTRVMKXSA-N 1 0 310.445 3.099 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000249291075 432344498 /nfs/dbraw/zinc/34/44/98/432344498.db2.gz VRBPMIDMFUFZGA-DOMZBBRYSA-N 1 0 324.494 3.028 10 0 DGAERO CC[C@@H]1CN(c2ccccc2)CCN1Cc1nc(C2CC2)no1 ZINC000184021994 432345591 /nfs/dbraw/zinc/34/55/91/432345591.db2.gz AHWXYJKZKMCYMI-OAHLLOKOSA-N 1 0 312.417 3.048 10 0 DGAERO CCCc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1 ZINC000249419021 432346942 /nfs/dbraw/zinc/34/69/42/432346942.db2.gz HCLJKDBGCZLNDV-IPMKNSEASA-N 1 0 303.446 3.407 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCSCc3ccccc3)[C@H]2C1 ZINC000249507492 432350217 /nfs/dbraw/zinc/35/02/17/432350217.db2.gz LJMRWSWDXKMKEE-FGTMMUONSA-N 1 0 321.486 3.188 10 0 DGAERO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@](C)(O)c2ccccc2)o1 ZINC000248606587 432305713 /nfs/dbraw/zinc/30/57/13/432305713.db2.gz GATYCGPFASEZIO-HKUYNNGSSA-N 1 0 315.413 3.471 10 0 DGAERO Cc1csc([C@H]([NH2+][C@H]2Cc3ccccc3[C@H]2O)C2CC2)n1 ZINC000248611996 432306206 /nfs/dbraw/zinc/30/62/06/432306206.db2.gz XUCUHUCLSXICMA-ARFHVFGLSA-N 1 0 300.427 3.151 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCC([NH2+]C(C)C)CC2)s1 ZINC000183611216 432307910 /nfs/dbraw/zinc/30/79/10/432307910.db2.gz AJEAFABWTCUNQW-UHFFFAOYSA-N 1 0 321.412 3.433 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(CC)o2)C12CCOCC2 ZINC000248624688 432308595 /nfs/dbraw/zinc/30/85/95/432308595.db2.gz COFWXJKRJCLPPW-IAOVAPTHSA-N 1 0 307.434 3.467 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2ccccc2)CC[N@@H+]1C ZINC000173917137 432309158 /nfs/dbraw/zinc/30/91/58/432309158.db2.gz WNBGCVICKMXTCK-NVXWUHKLSA-N 1 0 317.477 3.088 10 0 DGAERO CC1(C)CCC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000191862935 432309919 /nfs/dbraw/zinc/30/99/19/432309919.db2.gz QAKKARUUGVCKBW-LBPRGKRZSA-N 1 0 317.458 3.142 10 0 DGAERO CNC(=O)[C@@H]([NH2+]CCCSc1ccccc1Cl)C(C)C ZINC000183635200 432311550 /nfs/dbraw/zinc/31/15/50/432311550.db2.gz FYMVHNUMYKNPER-AWEZNQCLSA-N 1 0 314.882 3.182 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(Cl)c2)[C@@H](C)C1 ZINC000248683226 432311964 /nfs/dbraw/zinc/31/19/64/432311964.db2.gz FHKXXAFIVCPZHS-CMPLNLGQSA-N 1 0 300.855 3.204 10 0 DGAERO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c[nH+]ccc1N(C)C ZINC000183666526 432314399 /nfs/dbraw/zinc/31/43/99/432314399.db2.gz CVELVTGXLONRRR-GOEBONIOSA-N 1 0 309.413 3.166 10 0 DGAERO CSCc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000248737430 432315024 /nfs/dbraw/zinc/31/50/24/432315024.db2.gz PKTFZEQDVIMBSC-XJKSGUPXSA-N 1 0 321.490 3.400 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2cnc(-c3ccco3)s2)[C@@H]2CCO[C@H]21 ZINC000248735360 432315197 /nfs/dbraw/zinc/31/51/97/432315197.db2.gz NQFARHJJRALHTE-IACUBPJLSA-N 1 0 304.415 3.306 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc2ccccc12 ZINC000252443601 432376054 /nfs/dbraw/zinc/37/60/54/432376054.db2.gz DAVSNIUPVJBJHN-OLZOCXBDSA-N 1 0 300.427 3.210 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCCc1ccc(F)c(F)c1 ZINC000153025800 432377368 /nfs/dbraw/zinc/37/73/68/432377368.db2.gz MFFDPLMCBQIFSM-ZDUSSCGKSA-N 1 0 312.404 3.134 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000184311417 432377743 /nfs/dbraw/zinc/37/77/43/432377743.db2.gz HGDCNYCAZLPPPO-ZIAGYGMSSA-N 1 0 318.442 3.205 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000184311381 432378329 /nfs/dbraw/zinc/37/83/29/432378329.db2.gz HGDCNYCAZLPPPO-UONOGXRCSA-N 1 0 318.442 3.205 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc(Cl)ccc1F ZINC000252661429 432385399 /nfs/dbraw/zinc/38/53/99/432385399.db2.gz KDMVMVFSEPSNBO-YPMHNXCESA-N 1 0 310.800 3.178 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1cccs1 ZINC000174993428 432386813 /nfs/dbraw/zinc/38/68/13/432386813.db2.gz KSSFKDSVUCLXCF-HUUCEWRRSA-N 1 0 306.475 3.156 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1SC ZINC000175007469 432388148 /nfs/dbraw/zinc/38/81/48/432388148.db2.gz PSOZOJVLCNTAQU-ZIAGYGMSSA-N 1 0 304.459 3.107 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sccc1SC ZINC000175006413 432388702 /nfs/dbraw/zinc/38/87/02/432388702.db2.gz BNQUXRNLCGGLEO-NWDGAFQWSA-N 1 0 310.488 3.169 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccccc1C ZINC000175003886 432388995 /nfs/dbraw/zinc/38/89/95/432388995.db2.gz JFZHCNIKLZUFEX-ZWKOTPCHSA-N 1 0 300.446 3.013 10 0 DGAERO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000192587609 432390220 /nfs/dbraw/zinc/39/02/20/432390220.db2.gz ZSYBXYSBYOCICR-UONOGXRCSA-N 1 0 302.443 3.412 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccncc1 ZINC000192593419 432390723 /nfs/dbraw/zinc/39/07/23/432390723.db2.gz YIAHMKYQWPSSHB-AWEZNQCLSA-N 1 0 313.426 3.236 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(SC)ccc1C ZINC000175014999 432390839 /nfs/dbraw/zinc/39/08/39/432390839.db2.gz BSQPOUTWNBYIHS-HUUCEWRRSA-N 1 0 318.486 3.416 10 0 DGAERO CC(C)[NH+]1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175057921 432392858 /nfs/dbraw/zinc/39/28/58/432392858.db2.gz IIFVUGABZJRTDY-UHFFFAOYSA-N 1 0 303.381 3.007 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2cccs2)n1 ZINC000175045532 432392994 /nfs/dbraw/zinc/39/29/94/432392994.db2.gz WJJDWVWUVNVCNK-HUUCEWRRSA-N 1 0 317.458 3.462 10 0 DGAERO C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccnn1C ZINC000192685640 432399984 /nfs/dbraw/zinc/39/99/84/432399984.db2.gz MTABKMREERFEJI-NSHDSACASA-N 1 0 313.323 3.212 10 0 DGAERO Cn1ccnc1CC1CC[NH+](CCC(Cl)(Cl)Cl)CC1 ZINC000184526710 432401282 /nfs/dbraw/zinc/40/12/82/432401282.db2.gz BJDBUEBRFFSSIL-UHFFFAOYSA-N 1 0 324.683 3.435 10 0 DGAERO Cc1c(-c2cc(C[N@@H+]3CCC[C@H]3c3ccco3)on2)cnn1C ZINC000184559252 432406335 /nfs/dbraw/zinc/40/63/35/432406335.db2.gz WKTWXPCBXIMXME-INIZCTEOSA-N 1 0 312.373 3.314 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000249894476 432359212 /nfs/dbraw/zinc/35/92/12/432359212.db2.gz RHTYSNRFSDTXPD-SJLPKXTDSA-N 1 0 312.461 3.499 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(F)c2)[C@H](C)C1 ZINC000152819425 432359458 /nfs/dbraw/zinc/35/94/58/432359458.db2.gz UBKJPOROIIPUIN-CZUORRHYSA-N 1 0 307.413 3.328 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(F)c2)[C@H](C)C1 ZINC000152819328 432359855 /nfs/dbraw/zinc/35/98/55/432359855.db2.gz UBKJPOROIIPUIN-CJNGLKHVSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000249856718 432360826 /nfs/dbraw/zinc/36/08/26/432360826.db2.gz QGWRXCZSDTXQTG-QRVBRYPASA-N 1 0 310.445 3.425 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCCOCC(F)(F)F)ccc1F ZINC000152856946 432362342 /nfs/dbraw/zinc/36/23/42/432362342.db2.gz HDCFHUHSEJCJDE-JTQLQIEISA-N 1 0 309.303 3.454 10 0 DGAERO CC1CCC(NC(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000192355558 432363910 /nfs/dbraw/zinc/36/39/10/432363910.db2.gz GWRQUJJYGJPBEX-MQBCKMQZSA-N 1 0 316.445 3.054 10 0 DGAERO COc1cc(C[NH2+][C@H](C)c2cccc(O)c2)cc2c1OCCO2 ZINC000192367479 432365247 /nfs/dbraw/zinc/36/52/47/432365247.db2.gz RLTNRJZDNOJEGQ-GFCCVEGCSA-N 1 0 315.369 3.023 10 0 DGAERO C[N@@H+](Cc1csc(Br)c1)C[C@H]1CCC[C@H]1O ZINC000250232494 432365405 /nfs/dbraw/zinc/36/54/05/432365405.db2.gz NAGGKCIENNMOKR-GHMZBOCLSA-N 1 0 304.253 3.103 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1cccc(Cl)c1 ZINC000250895163 432367952 /nfs/dbraw/zinc/36/79/52/432367952.db2.gz IQJTVQGVPBSDAI-CUBALJKWSA-N 1 0 306.837 3.438 10 0 DGAERO CC(C)[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000174745178 432368692 /nfs/dbraw/zinc/36/86/92/432368692.db2.gz CJJIIZDPIRTVID-LZWOXQAQSA-N 1 0 323.506 3.475 10 0 DGAERO O=C(CC[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccccc1 ZINC000152925759 432368656 /nfs/dbraw/zinc/36/86/56/432368656.db2.gz SCNYAJLEVAKBJC-GOSISDBHSA-N 1 0 316.445 3.439 10 0 DGAERO CC(C)c1cnc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000192396380 432369688 /nfs/dbraw/zinc/36/96/88/432369688.db2.gz JTEBOVSTANAXRZ-YHWZYXNKSA-N 1 0 322.478 3.403 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000184250916 432371213 /nfs/dbraw/zinc/37/12/13/432371213.db2.gz FXLLDSTVWRZYIO-UHFFFAOYSA-N 1 0 321.783 3.212 10 0 DGAERO Cc1ccc(NC(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000152969639 432371572 /nfs/dbraw/zinc/37/15/72/432371572.db2.gz ZLBBHOMEGFBPHF-GOSISDBHSA-N 1 0 316.445 3.357 10 0 DGAERO COc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)ccc1Cl ZINC000261595025 432432489 /nfs/dbraw/zinc/43/24/89/432432489.db2.gz CSVCMQNYVNEQMG-HONMWMINSA-N 1 0 308.809 3.208 10 0 DGAERO CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000261602640 432433402 /nfs/dbraw/zinc/43/34/02/432433402.db2.gz BUEDEGYNMSZXRX-UHFFFAOYSA-N 1 0 323.396 3.137 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000153696864 432433624 /nfs/dbraw/zinc/43/36/24/432433624.db2.gz AOHMRPQKBVZMRL-MAUKXSAKSA-N 1 0 318.461 3.191 10 0 DGAERO CSCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000184814270 432435917 /nfs/dbraw/zinc/43/59/17/432435917.db2.gz VELCRVODTSZZND-UKRRQHHQSA-N 1 0 321.490 3.496 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000153720779 432436078 /nfs/dbraw/zinc/43/60/78/432436078.db2.gz NTRNOSZQWNHTCM-GFCCVEGCSA-N 1 0 316.376 3.147 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000261630485 432437525 /nfs/dbraw/zinc/43/75/25/432437525.db2.gz JMGYWHMMSCYBKI-JOUKPKRSSA-N 1 0 323.440 3.318 10 0 DGAERO CCC1(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCC1 ZINC000175466475 432438629 /nfs/dbraw/zinc/43/86/29/432438629.db2.gz PRTLKGMRGZVFMS-MRXNPFEDSA-N 1 0 318.436 3.487 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccco2)o1 ZINC000153771078 432441525 /nfs/dbraw/zinc/44/15/25/432441525.db2.gz XDSJWOHVGSXFHC-CQSZACIVSA-N 1 0 319.405 3.015 10 0 DGAERO CCCn1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)cn1 ZINC000261688957 432442446 /nfs/dbraw/zinc/44/24/46/432442446.db2.gz IKJIMQURSYCREJ-QGZVFWFLSA-N 1 0 318.852 3.093 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000175524992 432445009 /nfs/dbraw/zinc/44/50/09/432445009.db2.gz WUFDJHOBAZDKMO-IKGGRYGDSA-N 1 0 309.498 3.471 10 0 DGAERO Cc1ccccc1CCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261739739 432446529 /nfs/dbraw/zinc/44/65/29/432446529.db2.gz NUSHQMMFSZXVOX-UHFFFAOYSA-N 1 0 312.388 3.351 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000184930815 432446540 /nfs/dbraw/zinc/44/65/40/432446540.db2.gz ZPYULKQMNCJTNO-LSDHHAIUSA-N 1 0 315.461 3.128 10 0 DGAERO C[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1F ZINC000261754758 432448032 /nfs/dbraw/zinc/44/80/32/432448032.db2.gz PRIRFERTSHZRJI-LLVKDONJSA-N 1 0 316.351 3.353 10 0 DGAERO Fc1c(Cl)cccc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261763108 432448207 /nfs/dbraw/zinc/44/82/07/432448207.db2.gz RHVZTIJHLHDOLC-HNNXBMFYSA-N 1 0 305.784 3.021 10 0 DGAERO CSc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000261794735 432449762 /nfs/dbraw/zinc/44/97/62/432449762.db2.gz UXWUREDHLWCPTM-UHFFFAOYSA-N 1 0 314.454 3.052 10 0 DGAERO Fc1ccc2oc(CN3CC[NH2+]C[C@H]3c3cccnc3)cc2c1 ZINC000261791720 432450145 /nfs/dbraw/zinc/45/01/45/432450145.db2.gz VABSTUZEPDPGGS-KRWDZBQOSA-N 1 0 311.360 3.113 10 0 DGAERO C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261791127 432451567 /nfs/dbraw/zinc/45/15/67/432451567.db2.gz UJJYGWVDXGHGFS-WBMJQRKESA-N 1 0 320.408 3.005 10 0 DGAERO Cc1ccc(C[N@@H+](C)Cc2cc(-c3cnn(C)c3)no2)s1 ZINC000184995746 432454172 /nfs/dbraw/zinc/45/41/72/432454172.db2.gz GPEGMTRXQFWGHS-UHFFFAOYSA-N 1 0 302.403 3.077 10 0 DGAERO C1C[C@@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)[C@@H]([C@H]2COCCN2)C1 ZINC000261846722 432454311 /nfs/dbraw/zinc/45/43/11/432454311.db2.gz AVRUGJOQWRZTOT-WVXCVLBUSA-N 1 0 306.494 3.092 10 0 DGAERO CCC[C@@]1(C)CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185014702 432456209 /nfs/dbraw/zinc/45/62/09/432456209.db2.gz SZUHXMHOMITZHY-KRWDZBQOSA-N 1 0 302.422 3.477 10 0 DGAERO Cn1cc(-c2cc(C[NH+]3CCC(C(C)(C)C)CC3)on2)cn1 ZINC000185005892 432456326 /nfs/dbraw/zinc/45/63/26/432456326.db2.gz FATAFLYIJWPVCX-UHFFFAOYSA-N 1 0 302.422 3.333 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C/C=C\c2cccc(F)c2)C1 ZINC000255140054 432408253 /nfs/dbraw/zinc/40/82/53/432408253.db2.gz WWTCEBKZRPCGIY-ZPOXIUPMSA-N 1 0 304.409 3.074 10 0 DGAERO C[C@H]1CCN(C(=O)NC2CC[NH+](C)CC2)[C@H]1c1cccc(F)c1 ZINC000175174296 432408274 /nfs/dbraw/zinc/40/82/74/432408274.db2.gz OPCGGOJIZQVDEG-SUMWQHHRSA-N 1 0 319.424 3.012 10 0 DGAERO CC(C)n1ccc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000271514610 432411207 /nfs/dbraw/zinc/41/12/07/432411207.db2.gz GABVDXNHABOJSZ-UHFFFAOYSA-N 1 0 314.477 3.464 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000255614544 432412539 /nfs/dbraw/zinc/41/25/39/432412539.db2.gz RCAQCCSTDQYBMS-AYUWKEHRSA-N 1 0 304.409 3.028 10 0 DGAERO COCC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175228038 432413628 /nfs/dbraw/zinc/41/36/28/432413628.db2.gz UDAPSIPWDWXDCV-UHFFFAOYSA-N 1 0 304.365 3.339 10 0 DGAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C/C=C\c1ccc(F)cc1 ZINC000255892188 432413828 /nfs/dbraw/zinc/41/38/28/432413828.db2.gz JYXMAWDFHKDMGR-VGOKWCNXSA-N 1 0 304.409 3.028 10 0 DGAERO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184636803 432414762 /nfs/dbraw/zinc/41/47/62/432414762.db2.gz KKAQUCPARJRSMN-CQSZACIVSA-N 1 0 306.425 3.343 10 0 DGAERO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000192840400 432421097 /nfs/dbraw/zinc/42/10/97/432421097.db2.gz DOPZRUUZDACLPA-HNNXBMFYSA-N 1 0 318.461 3.383 10 0 DGAERO CC[NH+](CC)CCOc1ccccc1NC(=O)CCSC ZINC000192851917 432421730 /nfs/dbraw/zinc/42/17/30/432421730.db2.gz QAAAROIDGLOKOQ-UHFFFAOYSA-N 1 0 310.463 3.099 10 0 DGAERO CSc1ccccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000192853563 432422906 /nfs/dbraw/zinc/42/29/06/432422906.db2.gz WAAYBMYQVMXPNA-INIZCTEOSA-N 1 0 314.454 3.441 10 0 DGAERO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000192867594 432424451 /nfs/dbraw/zinc/42/44/51/432424451.db2.gz WWWGFZAUEIABPB-AGIUHOORSA-N 1 0 319.474 3.245 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000262118961 432475647 /nfs/dbraw/zinc/47/56/47/432475647.db2.gz LQSUDLWMCSWGHA-PSASIEDQSA-N 1 0 307.385 3.030 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1F ZINC000262135811 432475880 /nfs/dbraw/zinc/47/58/80/432475880.db2.gz LYSDJUPIDBNDQE-SDNTUTLCSA-N 1 0 304.409 3.232 10 0 DGAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cccc(F)c1F ZINC000262206656 432479125 /nfs/dbraw/zinc/47/91/25/432479125.db2.gz LBIPIURYHGAGOR-INIZCTEOSA-N 1 0 318.367 3.120 10 0 DGAERO C[C@H](c1ccc(Br)cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193616042 432484718 /nfs/dbraw/zinc/48/47/18/432484718.db2.gz WNZUEQFHGDOICY-BNOWGMLFSA-N 1 0 309.251 3.004 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@](O)(C(F)(F)F)C1 ZINC000185316038 432489176 /nfs/dbraw/zinc/48/91/76/432489176.db2.gz PDPYZTHJBOANTM-HNNXBMFYSA-N 1 0 310.319 3.355 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262531332 432490333 /nfs/dbraw/zinc/49/03/33/432490333.db2.gz PQDUKTGGUBZCAC-JDSLSITLSA-N 1 0 322.836 3.119 10 0 DGAERO O=C(CN1CCC[C@@H](C(F)(F)F)C1)NCCC1CCCCC1 ZINC000193700749 432491681 /nfs/dbraw/zinc/49/16/81/432491681.db2.gz HXFDONRCVOSTEA-CQSZACIVSA-N 1 0 320.399 3.347 10 0 DGAERO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262595038 432493630 /nfs/dbraw/zinc/49/36/30/432493630.db2.gz IZLCBSMYFSGILE-IRXDYDNUSA-N 1 0 318.461 3.096 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)C1 ZINC000262610646 432494019 /nfs/dbraw/zinc/49/40/19/432494019.db2.gz DCXDBZUFXZIVGH-RKVPGOIHSA-N 1 0 311.429 3.349 10 0 DGAERO C[C@@H](CC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)[C@H]1CCC[NH2+]C1 ZINC000262620498 432494831 /nfs/dbraw/zinc/49/48/31/432494831.db2.gz OUSXQPVTJQGRDP-NIPBAFKLSA-N 1 0 304.478 3.049 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000262636907 432495986 /nfs/dbraw/zinc/49/59/86/432495986.db2.gz XFLXGCMNNKRRQA-IPMKNSEASA-N 1 0 308.425 3.214 10 0 DGAERO CC1CCC(OC2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000262647543 432496267 /nfs/dbraw/zinc/49/62/67/432496267.db2.gz STKIMUWRWBPVNG-YZUHTNEWSA-N 1 0 322.493 3.090 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000262636906 432496273 /nfs/dbraw/zinc/49/62/73/432496273.db2.gz XFLXGCMNNKRRQA-GUDVDZBRSA-N 1 0 308.425 3.214 10 0 DGAERO O=C(C[NH2+]CC1CC1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000262652246 432496312 /nfs/dbraw/zinc/49/63/12/432496312.db2.gz RRHSXOALKDOZIG-UHFFFAOYSA-N 1 0 320.396 3.168 10 0 DGAERO FC(F)(F)c1cccc(C2(CNC3=[NH+]CCCN3)CCC2)c1 ZINC000262703385 432498199 /nfs/dbraw/zinc/49/81/99/432498199.db2.gz ZRYDKTYULXAMJH-UHFFFAOYSA-N 1 0 311.351 3.066 10 0 DGAERO C[C@H](NC(=O)N(C)CC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC000176243512 432503557 /nfs/dbraw/zinc/50/35/57/432503557.db2.gz GBHNUIKLZNTUNL-AWEZNQCLSA-N 1 0 305.466 3.248 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000262810484 432504222 /nfs/dbraw/zinc/50/42/22/432504222.db2.gz OTGOAUKUDKDQIG-KBXCAEBGSA-N 1 0 300.446 3.462 10 0 DGAERO CCOc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000176248132 432504703 /nfs/dbraw/zinc/50/47/03/432504703.db2.gz MJKLVQQHQLXZGD-OAHLLOKOSA-N 1 0 305.422 3.033 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000176315710 432509579 /nfs/dbraw/zinc/50/95/79/432509579.db2.gz GATDXPWQTVPLLV-CQSZACIVSA-N 1 0 314.385 3.286 10 0 DGAERO CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CCCC1 ZINC000261938380 432461820 /nfs/dbraw/zinc/46/18/20/432461820.db2.gz MMSVLHORGSEXLU-KSZLIROESA-N 1 0 308.510 3.340 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](C)c1cccc(Cl)c1)CC2 ZINC000153989366 432462307 /nfs/dbraw/zinc/46/23/07/432462307.db2.gz HEWWCEWMWNSULT-WFASDCNBSA-N 1 0 318.852 3.202 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000261956486 432463085 /nfs/dbraw/zinc/46/30/85/432463085.db2.gz NZHULEOIJFPMRQ-KKXDTOCCSA-N 1 0 300.446 3.260 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000261956495 432464533 /nfs/dbraw/zinc/46/45/33/432464533.db2.gz NZHULEOIJFPMRQ-VHSSKADRSA-N 1 0 300.446 3.260 10 0 DGAERO c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261979871 432466221 /nfs/dbraw/zinc/46/62/21/432466221.db2.gz RLLZHKBMHPCWQJ-HBMCJLEFSA-N 1 0 324.468 3.129 10 0 DGAERO CCC[N@H+](Cc1cnc(N)s1)[C@@H]1CCCc2cccnc21 ZINC000261969969 432466324 /nfs/dbraw/zinc/46/63/24/432466324.db2.gz IDFGIJOEZGDXOI-CQSZACIVSA-N 1 0 302.447 3.410 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)o1 ZINC000261963674 432466340 /nfs/dbraw/zinc/46/63/40/432466340.db2.gz LBUHXKCVTJKCKZ-RBUCKAEESA-N 1 0 316.445 3.092 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000175811671 432467786 /nfs/dbraw/zinc/46/77/86/432467786.db2.gz MUILYTVXBDCIJI-CQSZACIVSA-N 1 0 307.438 3.247 10 0 DGAERO C[C@H]1CCC[C@H](C)C1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175818175 432468500 /nfs/dbraw/zinc/46/85/00/432468500.db2.gz MXIRPYHUIRIGPN-HOTGVXAUSA-N 1 0 321.509 3.329 10 0 DGAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000193373058 432469958 /nfs/dbraw/zinc/46/99/58/432469958.db2.gz NIPBEVZHMQBYGZ-JSGCOSHPSA-N 1 0 301.377 3.135 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000185137669 432469985 /nfs/dbraw/zinc/46/99/85/432469985.db2.gz CDVAPFZOPQTVCL-UHFFFAOYSA-N 1 0 300.402 3.203 10 0 DGAERO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCCSCc1ccccc1 ZINC000185974209 432550730 /nfs/dbraw/zinc/55/07/30/432550730.db2.gz FEYYEXHQPPENDT-KRWDZBQOSA-N 1 0 306.475 3.040 10 0 DGAERO CCc1cccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000176790357 432554068 /nfs/dbraw/zinc/55/40/68/432554068.db2.gz UYMCGCHUILDOCP-QGZVFWFLSA-N 1 0 312.417 3.450 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(SC)ccc2Cl)C1 ZINC000194631827 432563931 /nfs/dbraw/zinc/56/39/31/432563931.db2.gz NMOGUTGJVOTBPC-NSHDSACASA-N 1 0 312.866 3.276 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000185655728 432520056 /nfs/dbraw/zinc/52/00/56/432520056.db2.gz KUAQRMOFCPGXPF-SWLSCSKDSA-N 1 0 300.402 3.153 10 0 DGAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccnc1N(C)C ZINC000154797028 432522291 /nfs/dbraw/zinc/52/22/91/432522291.db2.gz LXZBIWIYJNMBEO-GOSISDBHSA-N 1 0 311.429 3.323 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@H](c1ccccc1)N(C)C ZINC000185674300 432522462 /nfs/dbraw/zinc/52/24/62/432522462.db2.gz DKASHCIDYHHQOB-AUUYWEPGSA-N 1 0 308.429 3.344 10 0 DGAERO CCCn1cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)cn1 ZINC000185686159 432523463 /nfs/dbraw/zinc/52/34/63/432523463.db2.gz KKUSOPJXRXVNQG-QAPCUYQASA-N 1 0 300.450 3.074 10 0 DGAERO CN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000176443563 432524258 /nfs/dbraw/zinc/52/42/58/432524258.db2.gz JLFDXXHIDAFNPF-TTYSUZLOSA-N 1 0 316.489 3.334 10 0 DGAERO Cc1cccc2c1ncnc2N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000154948878 432529950 /nfs/dbraw/zinc/52/99/50/432529950.db2.gz GWBHMVQCHOSVIA-HNNXBMFYSA-N 1 0 310.445 3.391 10 0 DGAERO CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000176520057 432531169 /nfs/dbraw/zinc/53/11/69/432531169.db2.gz ZMLCZWLFHKELQU-IAGOWNOFSA-N 1 0 320.864 3.386 10 0 DGAERO C[C@H](N(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1(C)CC1 ZINC000176523504 432531862 /nfs/dbraw/zinc/53/18/62/432531862.db2.gz LDWJHKBFXKOKNP-ZDUSSCGKSA-N 1 0 321.440 3.217 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1c2ccccc2C[C@H]1C ZINC000194195059 432532241 /nfs/dbraw/zinc/53/22/41/432532241.db2.gz HNQSLJUDQRCQKT-GDBMZVCRSA-N 1 0 303.450 3.124 10 0 DGAERO C=Cn1cc(C[NH2+]Cc2cc(F)cc(Br)c2)cn1 ZINC000194247982 432535606 /nfs/dbraw/zinc/53/56/06/432535606.db2.gz AZXWGFLWLYIBKD-UHFFFAOYSA-N 1 0 310.170 3.175 10 0 DGAERO CCC[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000155074397 432537324 /nfs/dbraw/zinc/53/73/24/432537324.db2.gz OTWGDIINOSUZRX-QZTJIDSGSA-N 1 0 302.462 3.198 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC000194288416 432537760 /nfs/dbraw/zinc/53/77/60/432537760.db2.gz HGVHSLCCQXLZTO-KSSFIOAISA-N 1 0 321.465 3.240 10 0 DGAERO Clc1csc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000194376265 432546403 /nfs/dbraw/zinc/54/64/03/432546403.db2.gz XVQOTYMHPDCNAS-AWEZNQCLSA-N 1 0 314.882 3.088 10 0 DGAERO CCc1noc(C)c1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000155265165 432547288 /nfs/dbraw/zinc/54/72/88/432547288.db2.gz YJEWTUMUHFKKNI-ZDUSSCGKSA-N 1 0 322.453 3.322 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000156871911 432610833 /nfs/dbraw/zinc/61/08/33/432610833.db2.gz UEFCWMWXECSOLZ-GJZGRUSLSA-N 1 0 321.440 3.178 10 0 DGAERO COCc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)o1 ZINC000177321020 432611175 /nfs/dbraw/zinc/61/11/75/432611175.db2.gz VBTUSUGNRSVDPU-UHFFFAOYSA-N 1 0 302.374 3.048 10 0 DGAERO CCCCOC[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000195218262 432613296 /nfs/dbraw/zinc/61/32/96/432613296.db2.gz JVHCZWHWTPMBFC-SFHVURJKSA-N 1 0 305.462 3.309 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cccc2ccccc21 ZINC000177357643 432615247 /nfs/dbraw/zinc/61/52/47/432615247.db2.gz LPQITOQCYGDMPV-DLBZAZTESA-N 1 0 312.457 3.459 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000177376479 432616454 /nfs/dbraw/zinc/61/64/54/432616454.db2.gz JKYONCJGUWRQTQ-OLZOCXBDSA-N 1 0 301.434 3.327 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000155695576 432566888 /nfs/dbraw/zinc/56/68/88/432566888.db2.gz HVVHATWDOYNNDJ-DYVFJYSZSA-N 1 0 324.415 3.132 10 0 DGAERO C[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CS(C)(=O)=O ZINC000176958347 432569827 /nfs/dbraw/zinc/56/98/27/432569827.db2.gz SLBKKJSXSWAHKB-ABAIWWIYSA-N 1 0 315.866 3.061 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCOC[C@H]1C ZINC000194727919 432571725 /nfs/dbraw/zinc/57/17/25/432571725.db2.gz PKAZQHPRBFHSOJ-NVXWUHKLSA-N 1 0 316.445 3.202 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](C)c1ccccc1OC ZINC000176991735 432572688 /nfs/dbraw/zinc/57/26/88/432572688.db2.gz FGFAYVXJTFVTHJ-CVEARBPZSA-N 1 0 318.461 3.132 10 0 DGAERO CC[C@@H](C)Oc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000155765727 432573257 /nfs/dbraw/zinc/57/32/57/432573257.db2.gz RDERUQLMRXPAAI-QLFBSQMISA-N 1 0 304.434 3.029 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000194742881 432573485 /nfs/dbraw/zinc/57/34/85/432573485.db2.gz OECARNBHCMMCGF-WZTPKPFXSA-N 1 0 304.478 3.193 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000177012965 432575271 /nfs/dbraw/zinc/57/52/71/432575271.db2.gz SEDWEFBNCRNUDW-VYDXJSESSA-N 1 0 318.461 3.419 10 0 DGAERO FCCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186289122 432577725 /nfs/dbraw/zinc/57/77/25/432577725.db2.gz XPGQVBFMJGFAQN-CQSZACIVSA-N 1 0 324.197 3.278 10 0 DGAERO CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000177057984 432580275 /nfs/dbraw/zinc/58/02/75/432580275.db2.gz CLFYHLDLMGRYPE-WBVHZDCISA-N 1 0 320.477 3.399 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)C12CCOCC2 ZINC000186323311 432581204 /nfs/dbraw/zinc/58/12/04/432581204.db2.gz UACOGBVIXCEJKY-JKSUJKDBSA-N 1 0 311.372 3.029 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000194933956 432587722 /nfs/dbraw/zinc/58/77/22/432587722.db2.gz KQHQNHXBNSHRLN-CYBMUJFWSA-N 1 0 315.244 3.136 10 0 DGAERO COc1ccc2c(c1)CCN2C(=O)c1ccc(-n2ccnc2)cc1 ZINC000194958819 432589933 /nfs/dbraw/zinc/58/99/33/432589933.db2.gz HRHRLSVQDRGEMX-UHFFFAOYSA-N 1 0 319.364 3.084 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2C)C12CCOCC2 ZINC000186379716 432590023 /nfs/dbraw/zinc/59/00/23/432590023.db2.gz KDVWBWRDPHHEPU-MSOLQXFVSA-N 1 0 321.436 3.240 10 0 DGAERO COc1cccc([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000177208904 432597640 /nfs/dbraw/zinc/59/76/40/432597640.db2.gz MGGGZSWLAHLKMW-AWEZNQCLSA-N 1 0 308.385 3.127 10 0 DGAERO COc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c2ccccc12 ZINC000195081999 432599560 /nfs/dbraw/zinc/59/95/60/432599560.db2.gz CNDGTERQVZVRQX-OAHLLOKOSA-N 1 0 324.424 3.159 10 0 DGAERO CCN(Cc1nnc(C2CC2)n1C)[C@H](C)c1cccc(OC)c1 ZINC000195077191 432601067 /nfs/dbraw/zinc/60/10/67/432601067.db2.gz KDDZFSOVIRVITL-CYBMUJFWSA-N 1 0 314.433 3.284 10 0 DGAERO COC(C)(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156618780 432602043 /nfs/dbraw/zinc/60/20/43/432602043.db2.gz RIIDZEDGWGORBZ-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(F)c(C)c2)CC1 ZINC000157699827 432625924 /nfs/dbraw/zinc/62/59/24/432625924.db2.gz OXXKKAWLDRZVDH-UHFFFAOYSA-N 1 0 321.440 3.055 10 0 DGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCCc4ccccc43)C2)cn1 ZINC000177459585 432626120 /nfs/dbraw/zinc/62/61/20/432626120.db2.gz QGBFKUUWUJUQDM-YLJYHZDGSA-N 1 0 324.472 3.446 10 0 DGAERO O=C(c1cncc(-c2ccccc2)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000177469336 432627480 /nfs/dbraw/zinc/62/74/80/432627480.db2.gz KZJLKGKKCHOZTG-UHFFFAOYSA-N 1 0 321.424 3.059 10 0 DGAERO Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(C)n1C1CCCCC1 ZINC000186727091 432627565 /nfs/dbraw/zinc/62/75/65/432627565.db2.gz AWVLTHUBMJVPLD-ACJLOTCBSA-N 1 0 317.477 3.338 10 0 DGAERO CN(CC1CC1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157392382 432618456 /nfs/dbraw/zinc/61/84/56/432618456.db2.gz UVTCZLQLCLKJQQ-LJQANCHMSA-N 1 0 315.461 3.093 10 0 DGAERO CCC(C)(CC)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000177870373 432669404 /nfs/dbraw/zinc/66/94/04/432669404.db2.gz TYIRTJHJJYRTJT-CQSZACIVSA-N 1 0 307.438 3.294 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000177704611 432653189 /nfs/dbraw/zinc/65/31/89/432653189.db2.gz ABGQBLPRJIDDDQ-HOCLYGCPSA-N 1 0 314.433 3.214 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H](C)C1 ZINC000158956731 432664858 /nfs/dbraw/zinc/66/48/58/432664858.db2.gz RNTAWSZRULXLOK-BBRMVZONSA-N 1 0 320.864 3.217 10 0 DGAERO COC[C@H](C)C[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000187455489 432666246 /nfs/dbraw/zinc/66/62/46/432666246.db2.gz UKWNZIKVEJFCSZ-OAHLLOKOSA-N 1 0 313.445 3.378 10 0 DGAERO C[C@@H]1CC[C@](CO)(N(C)Cc2noc(C3CCCCC3)n2)C1 ZINC000187921701 432694175 /nfs/dbraw/zinc/69/41/75/432694175.db2.gz TWQLOXTVDVDLIF-DYVFJYSZSA-N 1 0 307.438 3.100 10 0 DGAERO COc1cc(OC)c([C@H](C)[NH2+]CC2(CCO)CC2)cc1Cl ZINC000188072703 432701696 /nfs/dbraw/zinc/70/16/96/432701696.db2.gz LOKNRKXZRBCHJM-NSHDSACASA-N 1 0 313.825 3.170 10 0 DGAERO CC(C)Cn1ccnc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178170475 432702883 /nfs/dbraw/zinc/70/28/83/432702883.db2.gz MGHIXDSYGLENLI-OAHLLOKOSA-N 1 0 318.465 3.132 10 0 DGAERO Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)sc1C ZINC000178183640 432703898 /nfs/dbraw/zinc/70/38/98/432703898.db2.gz YEPVIIIFXFZYOV-LBPRGKRZSA-N 1 0 313.430 3.191 10 0 DGAERO CO[C@@H](C)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000188130716 432707146 /nfs/dbraw/zinc/70/71/46/432707146.db2.gz BWZWSVLFKCJWEI-GXFFZTMASA-N 1 0 314.223 3.287 10 0 DGAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227848941 432714781 /nfs/dbraw/zinc/71/47/81/432714781.db2.gz UTMBWYJAIKRNAA-HZGVNTEJSA-N 1 0 310.644 3.431 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncc(C(F)(F)F)cc3Cl)C[C@H]21 ZINC000228551517 432718447 /nfs/dbraw/zinc/71/84/47/432718447.db2.gz ISGINJLKFFDHFC-MKPLZMMCSA-N 1 0 319.758 3.317 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000178305713 432719162 /nfs/dbraw/zinc/71/91/62/432719162.db2.gz SYVRUWOOKSLQSX-OAHLLOKOSA-N 1 0 321.371 3.458 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOc1c(C)cccc1C ZINC000178327174 432722358 /nfs/dbraw/zinc/72/23/58/432722358.db2.gz HRHZKCBUGSTVEB-SFHVURJKSA-N 1 0 313.445 3.352 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncc(C(F)(F)F)cc3Cl)C[C@@H]21 ZINC000230134317 432724033 /nfs/dbraw/zinc/72/40/33/432724033.db2.gz ISGINJLKFFDHFC-PTOFAABTSA-N 1 0 319.758 3.317 10 0 DGAERO Cc1ccsc1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230167734 432724615 /nfs/dbraw/zinc/72/46/15/432724615.db2.gz BXQPAPSOYRHMQM-ZDUSSCGKSA-N 1 0 310.463 3.403 10 0 DGAERO Cc1ccc([C@@H]2CN(CCCCCn3cccn3)CCO2)o1 ZINC000159156783 432671643 /nfs/dbraw/zinc/67/16/43/432671643.db2.gz GBSAMYQVHMFAJO-KRWDZBQOSA-N 1 0 303.406 3.028 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)cc1 ZINC000159197202 432674465 /nfs/dbraw/zinc/67/44/65/432674465.db2.gz SDMRLQXCCIYMRP-QFBILLFUSA-N 1 0 310.441 3.345 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000187691715 432677398 /nfs/dbraw/zinc/67/73/98/432677398.db2.gz YUAOWCXLZKSXGP-AWEZNQCLSA-N 1 0 304.434 3.187 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000159353136 432680487 /nfs/dbraw/zinc/68/04/87/432680487.db2.gz SVYSMPYIXQLDMJ-RDTXWAMCSA-N 1 0 324.440 3.320 10 0 DGAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187745159 432681007 /nfs/dbraw/zinc/68/10/07/432681007.db2.gz KIVDIUROKVAYTH-RYUDHWBXSA-N 1 0 317.260 3.053 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000187767096 432683528 /nfs/dbraw/zinc/68/35/28/432683528.db2.gz ZOHHOJSVLRUKQE-INIZCTEOSA-N 1 0 323.440 3.457 10 0 DGAERO O=C(Nc1ccc2ncsc2c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000225384418 432689181 /nfs/dbraw/zinc/68/91/81/432689181.db2.gz AQTULAYMLKHFQN-OSMZGAPFSA-N 1 0 301.415 3.156 10 0 DGAERO CCCc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178051990 432689461 /nfs/dbraw/zinc/68/94/61/432689461.db2.gz YZBZPYSAPGMIQM-OAHLLOKOSA-N 1 0 321.428 3.466 10 0 DGAERO Cn1cc([C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)c2cccc(F)c2)cn1 ZINC000187862392 432689759 /nfs/dbraw/zinc/68/97/59/432689759.db2.gz FEDRZSULQVCAGB-IRXDYDNUSA-N 1 0 317.408 3.196 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1cccc(OC)c1OC1CCCC1 ZINC000187883867 432691520 /nfs/dbraw/zinc/69/15/20/432691520.db2.gz YSLDEKGRDHYBDZ-AWEZNQCLSA-N 1 0 307.434 3.389 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000236633956 432752672 /nfs/dbraw/zinc/75/26/72/432752672.db2.gz DEVBTBMQNINQNM-UHFFFAOYSA-N 1 0 300.805 3.203 10 0 DGAERO CC[C@@H](C)CN(CC)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000178557034 432752877 /nfs/dbraw/zinc/75/28/77/432752877.db2.gz KHIBDXDKAPRRST-OAHLLOKOSA-N 1 0 318.465 3.128 10 0 DGAERO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1)C1CC1 ZINC000275835141 432753391 /nfs/dbraw/zinc/75/33/91/432753391.db2.gz VPTNZFYJXDCULU-LJQANCHMSA-N 1 0 323.440 3.210 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(F)cc1N(C)C ZINC000178565851 432754520 /nfs/dbraw/zinc/75/45/20/432754520.db2.gz LUXRJKRWMNDZNM-LBPRGKRZSA-N 1 0 320.383 3.374 10 0 DGAERO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000178581011 432754798 /nfs/dbraw/zinc/75/47/98/432754798.db2.gz CHKJSFIVZWCTFF-ZIAGYGMSSA-N 1 0 312.479 3.391 10 0 DGAERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)C(C)C)cc1 ZINC000178581050 432755482 /nfs/dbraw/zinc/75/54/82/432755482.db2.gz CHKJSFIVZWCTFF-KBPBESRZSA-N 1 0 312.479 3.391 10 0 DGAERO CCc1ccccc1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000188953569 432756002 /nfs/dbraw/zinc/75/60/02/432756002.db2.gz XYQVQIITXKYWFC-SFHVURJKSA-N 1 0 310.445 3.140 10 0 DGAERO CC(C)COc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1Cl ZINC000236688198 432756191 /nfs/dbraw/zinc/75/61/91/432756191.db2.gz ZOKCHUCOVHSRBF-NWDGAFQWSA-N 1 0 310.825 3.441 10 0 DGAERO CCCCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000236738765 432762756 /nfs/dbraw/zinc/76/27/56/432762756.db2.gz JBYCTWHSXFOPNS-ZBFHGGJFSA-N 1 0 306.425 3.472 10 0 DGAERO CCCCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236738735 432762765 /nfs/dbraw/zinc/76/27/65/432762765.db2.gz JBYCTWHSXFOPNS-GDBMZVCRSA-N 1 0 306.425 3.472 10 0 DGAERO Cc1cccn2c(C[NH2+]C[C@H]3CCO[C@@H]3C(C)(C)C)cnc12 ZINC000189239483 432772617 /nfs/dbraw/zinc/77/26/17/432772617.db2.gz PUNJODOKMVJIHJ-ZBFHGGJFSA-N 1 0 301.434 3.184 10 0 DGAERO CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C2CC[NH2+]CC2)o1 ZINC000236983741 288573657 /nfs/dbraw/zinc/57/36/57/288573657.db2.gz LSYVEDDXBDNNDW-XJKSGUPXSA-N 1 0 304.434 3.141 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189269111 432773487 /nfs/dbraw/zinc/77/34/87/432773487.db2.gz QKFCRPXTJVIHLG-LJQANCHMSA-N 1 0 314.473 3.330 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000189275950 432775367 /nfs/dbraw/zinc/77/53/67/432775367.db2.gz ZSPKSJOVTBQCFO-UHFFFAOYSA-N 1 0 319.424 3.419 10 0 DGAERO CC[N@@H+]1CCC[C@H](Nc2nc(-c3cccnc3)nc(C)c2C)C1 ZINC000178399128 432732145 /nfs/dbraw/zinc/73/21/45/432732145.db2.gz KGYTYZPHEIXZHY-INIZCTEOSA-N 1 0 311.433 3.052 10 0 DGAERO COCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000178426756 432735134 /nfs/dbraw/zinc/73/51/34/432735134.db2.gz MICVWSBZZVONLC-HZPDHXFCSA-N 1 0 306.450 3.069 10 0 DGAERO CCC[C@H](C(=O)NC[C@H](c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000188641043 432738039 /nfs/dbraw/zinc/73/80/39/432738039.db2.gz LQNINIUYLWJLFH-ZIAGYGMSSA-N 1 0 316.367 3.179 10 0 DGAERO C[C@H]([NH2+]CCC1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178509148 432745561 /nfs/dbraw/zinc/74/55/61/432745561.db2.gz XSFLLZGRHAYQFO-LBPRGKRZSA-N 1 0 313.438 3.460 10 0 DGAERO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000189737836 432816452 /nfs/dbraw/zinc/81/64/52/432816452.db2.gz LMNRKPWFSAPSTC-INIZCTEOSA-N 1 0 315.417 3.133 10 0 DGAERO C[C@H](C(=O)N1CCC[C@@H](C(F)(F)F)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203581 432825471 /nfs/dbraw/zinc/82/54/71/432825471.db2.gz SSXBXWWFIGPTBJ-YVECIDJPSA-N 1 0 306.372 3.049 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)Cc1cccs1 ZINC000245429560 432829130 /nfs/dbraw/zinc/82/91/30/432829130.db2.gz YRLJSQFLNAAKOH-HUUCEWRRSA-N 1 0 323.506 3.052 10 0 DGAERO CCc1ccsc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162632050 432830067 /nfs/dbraw/zinc/83/00/67/432830067.db2.gz SUGOQTNCJPCSDH-UHFFFAOYSA-N 1 0 317.458 3.139 10 0 DGAERO O[C@H](Cc1ccccc1)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000245433101 432830479 /nfs/dbraw/zinc/83/04/79/432830479.db2.gz BQYJRUMUEFXBOV-RTBURBONSA-N 1 0 303.446 3.014 10 0 DGAERO CC[C@@]1(C)CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245433961 432830855 /nfs/dbraw/zinc/83/08/55/432830855.db2.gz CANSEIMXHXAYKF-HIFRSBDPSA-N 1 0 320.399 3.299 10 0 DGAERO c1ccc2oc(C3CCN(CCC[NH+]4CCCC4)CC3)nc2c1 ZINC000162682592 432831021 /nfs/dbraw/zinc/83/10/21/432831021.db2.gz RAAKLWNBPNHIDO-UHFFFAOYSA-N 1 0 313.445 3.493 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)cc2cccnc21 ZINC000245445569 432831753 /nfs/dbraw/zinc/83/17/53/432831753.db2.gz YZMCUZQZUWSVBU-ROUUACIJSA-N 1 0 313.420 3.433 10 0 DGAERO C[C@@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@@H]1c1cccc(F)c1 ZINC000245458660 432832844 /nfs/dbraw/zinc/83/28/44/432832844.db2.gz CYGKAHSGDXUWNU-XYPHTWIQSA-N 1 0 309.425 3.385 10 0 DGAERO CO[C@@H](C)c1nc(CN2CCC[C@H](n3cc(C)cn3)C2)cs1 ZINC000245460823 432834316 /nfs/dbraw/zinc/83/43/16/432834316.db2.gz FKJPYXGNZCGXLA-ZFWWWQNUSA-N 1 0 320.462 3.193 10 0 DGAERO CCC[NH+]1CCC(N(C)C(=O)N[C@H](CC)c2nccs2)CC1 ZINC000162828564 432835186 /nfs/dbraw/zinc/83/51/86/432835186.db2.gz UTULJVBZQHRDQM-CQSZACIVSA-N 1 0 324.494 3.110 10 0 DGAERO [NH3+][C@H](CNC(=O)C[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000178878923 432784892 /nfs/dbraw/zinc/78/48/92/432784892.db2.gz RHIFLWYOTARFSN-PKOBYXMFSA-N 1 0 308.425 3.313 10 0 DGAERO CNC(=O)[C@H]([NH2+]Cc1ccc(-c2ccc(C)cc2)o1)C(C)C ZINC000178951553 432790154 /nfs/dbraw/zinc/79/01/54/432790154.db2.gz IMSWYMINKTYNDB-QGZVFWFLSA-N 1 0 300.402 3.115 10 0 DGAERO O=C1NCC[C@@H]1[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000178991645 432793713 /nfs/dbraw/zinc/79/37/13/432793713.db2.gz YVYWKGITMUWVNA-DLBZAZTESA-N 1 0 314.816 3.102 10 0 DGAERO Cc1ccc([C@H]2CCCN2C(=O)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000237664854 432796056 /nfs/dbraw/zinc/79/60/56/432796056.db2.gz ZANJQOUBASKCKW-ZIAGYGMSSA-N 1 0 304.459 3.110 10 0 DGAERO CN1CC[C@@H]([NH2+]CC2=CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179036221 432798214 /nfs/dbraw/zinc/79/82/14/432798214.db2.gz PXWUXTQAUGUKTD-SJORKVTESA-N 1 0 324.827 3.161 10 0 DGAERO Clc1ccccc1[C@@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000162937222 432838541 /nfs/dbraw/zinc/83/85/41/432838541.db2.gz ALUHYLNFLSAZAD-KRWDZBQOSA-N 1 0 308.853 3.199 10 0 DGAERO C[C@@H](CCC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000162003410 432807442 /nfs/dbraw/zinc/80/74/42/432807442.db2.gz QMCPQCVJZWFHAB-FUHWJXTLSA-N 1 0 311.429 3.458 10 0 DGAERO CCC[C@@H](C(=O)N1CCC(COc2ccccc2)CC1)[NH+](C)C ZINC000162018993 432809570 /nfs/dbraw/zinc/80/95/70/432809570.db2.gz HEGYZROHZJVXRU-SFHVURJKSA-N 1 0 318.461 3.034 10 0 DGAERO COCCO[C@H]1CCN([C@H](C)c2cccc(Cl)c2F)C1 ZINC000189733718 432814268 /nfs/dbraw/zinc/81/42/68/432814268.db2.gz FFHDOLKILUMZGV-NEPJUHHUSA-N 1 0 301.789 3.277 10 0 DGAERO CCN(Cc1ccccc1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000240659717 432815280 /nfs/dbraw/zinc/81/52/80/432815280.db2.gz AHTRLDBHSBHAIP-UHFFFAOYSA-N 1 0 322.452 3.484 10 0 DGAERO Cc1ncc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741663 432860142 /nfs/dbraw/zinc/86/01/42/432860142.db2.gz LXVFFFXXDBSYTF-MAUKXSAKSA-N 1 0 312.461 3.095 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000245774603 432861711 /nfs/dbraw/zinc/86/17/11/432861711.db2.gz SLCWTSABVQNVKF-NHYWBVRUSA-N 1 0 300.368 3.266 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc1O ZINC000245761996 432861880 /nfs/dbraw/zinc/86/18/80/432861880.db2.gz VTRDTDPEOXQGDU-GDBMZVCRSA-N 1 0 317.385 3.082 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)o1 ZINC000245763169 432862295 /nfs/dbraw/zinc/86/22/95/432862295.db2.gz QEPKLKNXWDQYHS-RYRKJORJSA-N 1 0 318.461 3.090 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)ccc1O ZINC000245762000 432862383 /nfs/dbraw/zinc/86/23/83/432862383.db2.gz VTRDTDPEOXQGDU-GOEBONIOSA-N 1 0 317.385 3.082 10 0 DGAERO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc(OC)c1 ZINC000245794627 432862889 /nfs/dbraw/zinc/86/28/89/432862889.db2.gz WSOZXJIIPXWRDW-SJORKVTESA-N 1 0 318.461 3.151 10 0 DGAERO C[C@H](CCCc1ccccc1)C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000245849294 432865058 /nfs/dbraw/zinc/86/50/58/432865058.db2.gz MAFILONMYQTUSJ-BRWVUGGUSA-N 1 0 302.462 3.196 10 0 DGAERO COc1cccc(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245865425 432866470 /nfs/dbraw/zinc/86/64/70/432866470.db2.gz IMODGDJNLVJJBP-RCCFBDPRSA-N 1 0 303.446 3.421 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nc(CC)nc32)C1(CC)CC ZINC000245866863 432866622 /nfs/dbraw/zinc/86/66/22/432866622.db2.gz IUGUABIVCNRFSI-QLFBSQMISA-N 1 0 320.481 3.249 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cccc2F)[C@@H](C)C1 ZINC000245875501 432867422 /nfs/dbraw/zinc/86/74/22/432867422.db2.gz ANAGTXAVUCEQAC-ZFWWWQNUSA-N 1 0 307.413 3.328 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000245891132 432867692 /nfs/dbraw/zinc/86/76/92/432867692.db2.gz PWVIOEXYMFTHDZ-VELBRHGASA-N 1 0 317.454 3.466 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000245937691 432871147 /nfs/dbraw/zinc/87/11/47/432871147.db2.gz SCGDHYLQINVPAA-IDENBPMYSA-N 1 0 322.452 3.494 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000245950755 432872292 /nfs/dbraw/zinc/87/22/92/432872292.db2.gz WLLBHCXIHWQLMB-KBAYOESNSA-N 1 0 317.477 3.221 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)OC2CCCCCC2)[C@@H](C)C1 ZINC000246028859 432874525 /nfs/dbraw/zinc/87/45/25/432874525.db2.gz PEOZJAWFJUJWCZ-JZXOWHBKSA-N 1 0 324.509 3.303 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000246040530 432874881 /nfs/dbraw/zinc/87/48/81/432874881.db2.gz XXNNJBWSMLJAEL-QZTJIDSGSA-N 1 0 300.377 3.046 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2C)[C@@H](C)C1 ZINC000246034162 432875108 /nfs/dbraw/zinc/87/51/08/432875108.db2.gz OCCGZWOJTFKUPE-DOTOQJQBSA-N 1 0 303.450 3.497 10 0 DGAERO Cc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245534557 432840372 /nfs/dbraw/zinc/84/03/72/432840372.db2.gz WBGISZLSPMVIJN-XYJFISCASA-N 1 0 302.462 3.115 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC(C)(C)c1ccccc1 ZINC000245568440 432846921 /nfs/dbraw/zinc/84/69/21/432846921.db2.gz YCLRBADJKGHVKO-AEFFLSMTSA-N 1 0 314.473 3.440 10 0 DGAERO CCCc1cnc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000245613028 432850171 /nfs/dbraw/zinc/85/01/71/432850171.db2.gz LCRZMHIECSZGMP-TZMCWYRMSA-N 1 0 324.494 3.290 10 0 DGAERO CCCN(CCC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245614698 432850429 /nfs/dbraw/zinc/85/04/29/432850429.db2.gz COLWLOZYRJPNEW-SJORKVTESA-N 1 0 303.450 3.263 10 0 DGAERO C[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000163366623 432850499 /nfs/dbraw/zinc/85/04/99/432850499.db2.gz KCQLCABDTJGBEZ-HNAYVOBHSA-N 1 0 300.446 3.203 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CCN1C ZINC000245620162 432850742 /nfs/dbraw/zinc/85/07/42/432850742.db2.gz WKDWDGNNNDPVNN-PILAGYSTSA-N 1 0 321.896 3.158 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ncc(Br)s1 ZINC000245638165 432851731 /nfs/dbraw/zinc/85/17/31/432851731.db2.gz GZOMNODYBHOXPC-XHNCKOQMSA-N 1 0 305.241 3.124 10 0 DGAERO CSc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000163528000 432854803 /nfs/dbraw/zinc/85/48/03/432854803.db2.gz PLOYHWJVGIPQLG-YPMHNXCESA-N 1 0 310.438 3.102 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000245702339 432856270 /nfs/dbraw/zinc/85/62/70/432856270.db2.gz ZPCZBUFHBZGNKS-JSGCOSHPSA-N 1 0 302.409 3.001 10 0 DGAERO [NH3+]Cc1cccnc1NC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000333253035 433044883 /nfs/dbraw/zinc/04/48/83/433044883.db2.gz CUAODHJXRUALFU-VNHYZAJKSA-N 1 0 302.422 3.021 10 0 DGAERO O=C(Nc1ccc2cnccc2c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333284106 433045522 /nfs/dbraw/zinc/04/55/22/433045522.db2.gz IAHYCLQICJLWPR-KRWDZBQOSA-N 1 0 324.428 3.088 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000349944456 433039558 /nfs/dbraw/zinc/03/95/58/433039558.db2.gz GMAQFJBLOINWHU-ZDUSSCGKSA-N 1 0 315.442 3.206 10 0 DGAERO C[NH+](C)C[C@@H]1CN(C(=O)CC2CCC(C(C)(C)C)CC2)CCO1 ZINC000152214694 289197059 /nfs/dbraw/zinc/19/70/59/289197059.db2.gz USPOUXLFTKWFPH-OFLPRAFFSA-N 1 0 324.509 3.018 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)C1 ZINC000170831779 289312985 /nfs/dbraw/zinc/31/29/85/289312985.db2.gz CZGKHFGGUNZSMV-HZPDHXFCSA-N 1 0 321.440 3.258 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000105251159 289313235 /nfs/dbraw/zinc/31/32/35/289313235.db2.gz RYGMLGMOGCWJEA-SJORKVTESA-N 1 0 319.424 3.012 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2CCC2(C)C)c(OC)c1 ZINC000453305568 433076191 /nfs/dbraw/zinc/07/61/91/433076191.db2.gz IZSIYZDZOHCVLO-YVEFUNNKSA-N 1 0 307.434 3.422 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1)[NH+](C)C ZINC000156923194 292737211 /nfs/dbraw/zinc/73/72/11/292737211.db2.gz LZIDHMFNTMJTGQ-HNNXBMFYSA-N 1 0 320.824 3.195 10 0 DGAERO C[C@H]1CC(C[NH2+]Cc2ncc(Br)s2)C[C@H](C)O1 ZINC000341476663 433082552 /nfs/dbraw/zinc/08/25/52/433082552.db2.gz YBWAGLWGCRESFG-IUCAKERBSA-N 1 0 319.268 3.199 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000333729178 433095678 /nfs/dbraw/zinc/09/56/78/433095678.db2.gz HMZPHCFECMQHTE-SPUZQDLCSA-N 1 0 315.461 3.010 10 0 DGAERO c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000361381972 433143193 /nfs/dbraw/zinc/14/31/93/433143193.db2.gz SALKWMSFWGRDMX-UFYCRDLUSA-N 1 0 308.425 3.476 10 0 DGAERO O[C@H]1CCCC[C@@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000453347766 433107054 /nfs/dbraw/zinc/10/70/54/433107054.db2.gz KZPWSUWQYWBFEY-OWYHZJEWSA-N 1 0 303.446 3.295 10 0 DGAERO c1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@@]4(CCSC4)C3)C2)cc1 ZINC000453343179 433109356 /nfs/dbraw/zinc/10/93/56/433109356.db2.gz DNKYHPQHRQJOIO-RTBURBONSA-N 1 0 316.514 3.480 10 0 DGAERO CCOC(=O)COc1ccc(C[N@@H+]2CCCC23CCC3)cc1 ZINC000446840304 433114259 /nfs/dbraw/zinc/11/42/59/433114259.db2.gz YNSSWQMWXQXNMW-UHFFFAOYSA-N 1 0 303.402 3.147 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(C)nc2C)CC1 ZINC000447177723 433170186 /nfs/dbraw/zinc/17/01/86/433170186.db2.gz WMJQPGDHPWDCAG-UHFFFAOYSA-N 1 0 318.465 3.284 10 0 DGAERO CC[C@@H]([NH2+][C@@H](CC)c1ccc(Br)cc1)C(=O)NC ZINC000453418813 433171741 /nfs/dbraw/zinc/17/17/41/433171741.db2.gz VESSRTYWKWQQSX-QWHCGFSZSA-N 1 0 313.239 3.014 10 0 DGAERO CCCn1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)cn1 ZINC000336713844 433187906 /nfs/dbraw/zinc/18/79/06/433187906.db2.gz NURPQLNRIBTTMR-LPHOPBHVSA-N 1 0 312.461 3.046 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)Cc2cccs2)CC1 ZINC000157754280 292751862 /nfs/dbraw/zinc/75/18/62/292751862.db2.gz TWXSXPLTHHTGHX-CQSZACIVSA-N 1 0 323.506 3.100 10 0 DGAERO C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000447378719 433194945 /nfs/dbraw/zinc/19/49/45/433194945.db2.gz AKFIYAOYXYTKMJ-ZDUSSCGKSA-N 1 0 318.417 3.254 10 0 DGAERO Cc1cc(CC[NH2+]Cc2sc(C)cc2Br)on1 ZINC000453594295 433226138 /nfs/dbraw/zinc/22/61/38/433226138.db2.gz KWWOCIKBKSAWBH-UHFFFAOYSA-N 1 0 315.236 3.448 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CCOC[C@@H]1CC1CCC1 ZINC000354732520 433243787 /nfs/dbraw/zinc/24/37/87/433243787.db2.gz NQBXJYYZTKIMLV-SFHVURJKSA-N 1 0 311.429 3.468 10 0 DGAERO Cc1cc(Cl)cnc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000291587888 433277576 /nfs/dbraw/zinc/27/75/76/433277576.db2.gz XBPKMLYQTJXXSK-AGUYFDCRSA-N 1 0 322.840 3.180 10 0 DGAERO Cc1cnn(CC[N@@H+](C)Cc2cc(Br)cs2)c1 ZINC000341833624 433303671 /nfs/dbraw/zinc/30/36/71/433303671.db2.gz GPFKNZGFUADUQP-UHFFFAOYSA-N 1 0 314.252 3.148 10 0 DGAERO CC(=O)Nc1ccccc1CN1CCOc2cccc(F)c2C1 ZINC000375009265 433331995 /nfs/dbraw/zinc/33/19/95/433331995.db2.gz VJBJTKMXCMJUBA-UHFFFAOYSA-N 1 0 314.360 3.179 10 0 DGAERO c1cncc(COc2ccc(C[N@@H+]3CC[C@]34CCOC4)cc2)c1 ZINC000421027505 433396621 /nfs/dbraw/zinc/39/66/21/433396621.db2.gz VAEMRQYCOXWGGL-LJQANCHMSA-N 1 0 310.397 3.025 10 0 DGAERO Fc1cc(OCC[NH+]2CCC(c3ncc[nH]3)CC2)ccc1Cl ZINC000361839758 433413954 /nfs/dbraw/zinc/41/39/54/433413954.db2.gz LOGAXABHMXMWBT-UHFFFAOYSA-N 1 0 323.799 3.461 10 0 DGAERO CC[N@H+](CCNc1nn2cc(C(C)(C)C)nc2s1)C(C)C ZINC000301152736 433432927 /nfs/dbraw/zinc/43/29/27/433432927.db2.gz DWHXNJQCFBERJV-UHFFFAOYSA-N 1 0 309.483 3.231 10 0 DGAERO CCCCc1noc([C@H](C)N2CCC(c3c[nH]nc3C)CC2)n1 ZINC000375333389 433433251 /nfs/dbraw/zinc/43/32/51/433433251.db2.gz GRPPWXIQVOIHLQ-ZDUSSCGKSA-N 1 0 317.437 3.384 10 0 DGAERO c1cn2cc(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)nc2s1 ZINC000361886991 433438795 /nfs/dbraw/zinc/43/87/95/433438795.db2.gz BNRBJQJIIUWTQT-HZSPNIEDSA-N 1 0 305.447 3.081 10 0 DGAERO c1cn2cc(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)nc2s1 ZINC000361886990 433439201 /nfs/dbraw/zinc/43/92/01/433439201.db2.gz BNRBJQJIIUWTQT-BFHYXJOUSA-N 1 0 305.447 3.081 10 0 DGAERO COCc1cccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375400635 433452431 /nfs/dbraw/zinc/45/24/31/433452431.db2.gz FZTSHLXKZKHXCS-MRXNPFEDSA-N 1 0 313.401 3.083 10 0 DGAERO Fc1cccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1F ZINC000375405163 433453956 /nfs/dbraw/zinc/45/39/56/433453956.db2.gz QBSRSCFQIHEILR-GFCCVEGCSA-N 1 0 305.328 3.215 10 0 DGAERO c1cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc2c1CCC2 ZINC000375399403 433454055 /nfs/dbraw/zinc/45/40/55/433454055.db2.gz BCEULQOVSCFODO-QGZVFWFLSA-N 1 0 309.413 3.425 10 0 DGAERO COc1cccc(CC[NH2+][C@@H]2CCCOc3cc(C)ccc32)n1 ZINC000361926561 433454361 /nfs/dbraw/zinc/45/43/61/433454361.db2.gz KOOJBFKSQQGUFV-QGZVFWFLSA-N 1 0 312.413 3.445 10 0 DGAERO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000414205085 433457387 /nfs/dbraw/zinc/45/73/87/433457387.db2.gz CKVUDWLUPQVAHZ-BXKDBHETSA-N 1 0 317.658 3.142 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cn1 ZINC000426292849 433461276 /nfs/dbraw/zinc/46/12/76/433461276.db2.gz OCWRBIQAJCHBRJ-AWEZNQCLSA-N 1 0 324.428 3.167 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000355105468 433463378 /nfs/dbraw/zinc/46/33/78/433463378.db2.gz HXAGBWQPZPSNSU-XJKSGUPXSA-N 1 0 315.442 3.206 10 0 DGAERO C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246574226 290248035 /nfs/dbraw/zinc/24/80/35/290248035.db2.gz VTCVSAYRMSEJJE-CPUCHLNUSA-N 1 0 308.853 3.054 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000355138992 433484022 /nfs/dbraw/zinc/48/40/22/433484022.db2.gz UAGKSCVZYBOAEZ-MSOLQXFVSA-N 1 0 301.430 3.476 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000355138994 433484763 /nfs/dbraw/zinc/48/47/63/433484763.db2.gz UAGKSCVZYBOAEZ-ROUUACIJSA-N 1 0 301.430 3.476 10 0 DGAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1sc2ccccc2c1Cl ZINC000282196070 433527470 /nfs/dbraw/zinc/52/74/70/433527470.db2.gz CGDUUIXRWWDEPZ-MWLCHTKSSA-N 1 0 308.834 3.311 10 0 DGAERO CC/C=C\CC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000342193650 433531129 /nfs/dbraw/zinc/53/11/29/433531129.db2.gz BORLBMWKPXCGOV-YIEVGGLXSA-N 1 0 308.491 3.410 10 0 DGAERO c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)c2)c1 ZINC000355209988 433534410 /nfs/dbraw/zinc/53/44/10/433534410.db2.gz SBYDGRKJIXOESG-MSOLQXFVSA-N 1 0 311.429 3.121 10 0 DGAERO CCc1cc(NC[C@@H](O)C2CCCC2)nc(-c2ccncc2)n1 ZINC000301290690 433490073 /nfs/dbraw/zinc/49/00/73/433490073.db2.gz OYUIMTYCDFUPAY-MRXNPFEDSA-N 1 0 312.417 3.064 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]C[C@H]3CC34CCSCC4)cc2)c1 ZINC000421353460 433495978 /nfs/dbraw/zinc/49/59/78/433495978.db2.gz PPVWGORPWYLKTB-MRXNPFEDSA-N 1 0 313.470 3.495 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CC23CCSCC3)c2c(c1)OCCCO2 ZINC000421356129 433500797 /nfs/dbraw/zinc/50/07/97/433500797.db2.gz WEOIZXJMQJUMKT-OAHLLOKOSA-N 1 0 319.470 3.471 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCOCC[C@H]1C ZINC000362046220 433504925 /nfs/dbraw/zinc/50/49/25/433504925.db2.gz NPEWYKFCAQFAET-MRXNPFEDSA-N 1 0 304.434 3.133 10 0 DGAERO Cc1cccc(NC[C@@H]2CCN(c3nc(C4CC4)ns3)C2)[nH+]1 ZINC000301530317 433594234 /nfs/dbraw/zinc/59/42/34/433594234.db2.gz RNNUFYONZUKSEZ-LBPRGKRZSA-N 1 0 315.446 3.057 10 0 DGAERO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ncc[nH]1 ZINC000375839914 433588397 /nfs/dbraw/zinc/58/83/97/433588397.db2.gz NVHSLNUFJGGQIH-YDHLFZDLSA-N 1 0 304.463 3.205 10 0 DGAERO COc1ccccc1C[C@@H](C)[NH2+]Cc1nnc(C2CC2)s1 ZINC000414327504 433547105 /nfs/dbraw/zinc/54/71/05/433547105.db2.gz OSCMMJJTJZSGKA-LLVKDONJSA-N 1 0 303.431 3.145 10 0 DGAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)CC/C=C\c1ccccc1 ZINC000456340931 433602214 /nfs/dbraw/zinc/60/22/14/433602214.db2.gz ASXDBUVDBGYNFS-QCSXQHJISA-N 1 0 300.446 3.423 10 0 DGAERO Cc1ccc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1Br ZINC000313745218 292889596 /nfs/dbraw/zinc/88/95/96/292889596.db2.gz BHXNJFXQAKWUDU-IUODEOHRSA-N 1 0 311.267 3.139 10 0 DGAERO C[C@@H](F)CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000339495658 433620858 /nfs/dbraw/zinc/62/08/58/433620858.db2.gz ZHZPKFZXMURYQQ-SECBINFHSA-N 1 0 318.186 3.058 10 0 DGAERO C[NH+]1CCC2(CCCN2C(=O)c2cc(O)c3ccccc3c2)CC1 ZINC000366223190 292926540 /nfs/dbraw/zinc/92/65/40/292926540.db2.gz VCXHSSIAQRNTAI-UHFFFAOYSA-N 1 0 324.424 3.246 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)[C@H](C)O1 ZINC000414517599 433682854 /nfs/dbraw/zinc/68/28/54/433682854.db2.gz QUMNQKLRAYSCAN-SCVCMEIPSA-N 1 0 316.214 3.491 10 0 DGAERO Cc1cc(NC[C@@H](C)[N@@H+]2CCOC[C@@H]2C)c2cccc(F)c2n1 ZINC000301695484 433683745 /nfs/dbraw/zinc/68/37/45/433683745.db2.gz YOHLOXDFUBYXMX-KGLIPLIRSA-N 1 0 317.408 3.203 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1C[C@@H]3CCCC[C@@H]3C1)CC2 ZINC000370158788 293159338 /nfs/dbraw/zinc/15/93/38/293159338.db2.gz DYSZABIBUGJCOS-KFWWJZLASA-N 1 0 315.461 3.287 10 0 DGAERO COc1cc(C)cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000373292538 293257667 /nfs/dbraw/zinc/25/76/67/293257667.db2.gz PMCRKLNEIKEEKV-LSDHHAIUSA-N 1 0 317.433 3.060 10 0 DGAERO Cn1cc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)c2cc(F)ccc21 ZINC000373822496 293319861 /nfs/dbraw/zinc/31/98/61/293319861.db2.gz IZMOHJSIEAHOIE-OAHLLOKOSA-N 1 0 312.348 3.018 10 0 DGAERO c1nc(C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c[nH]1 ZINC000374210788 293366459 /nfs/dbraw/zinc/36/64/59/293366459.db2.gz WJIIXNHHNFMVAV-UHFFFAOYSA-N 1 0 308.385 3.444 10 0 DGAERO COc1c(C)cnc(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c1C ZINC000362441716 433715809 /nfs/dbraw/zinc/71/58/09/433715809.db2.gz TYNFKIDYQXJMDT-MAUKXSAKSA-N 1 0 306.450 3.342 10 0 DGAERO c1c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)nc2ccccn12 ZINC000374472673 293405186 /nfs/dbraw/zinc/40/51/86/293405186.db2.gz QXJYFFSWRLLNIE-APWZRJJASA-N 1 0 307.397 3.202 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)[nH]n1 ZINC000449195926 433728862 /nfs/dbraw/zinc/72/88/62/433728862.db2.gz WZKZPGXPDRIMPP-SDBXPKJASA-N 1 0 309.335 3.344 10 0 DGAERO COc1cccc(C2=CCN(Cc3ncnn3C(C)C)CC2)c1 ZINC000376480533 433751431 /nfs/dbraw/zinc/75/14/31/433751431.db2.gz ZLTAUDDPNDECNW-UHFFFAOYSA-N 1 0 312.417 3.157 10 0 DGAERO CC(C)[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)C1(CO)CCC1 ZINC000339728717 433752229 /nfs/dbraw/zinc/75/22/29/433752229.db2.gz AHHWELQNUKZDOH-LBPRGKRZSA-N 1 0 322.396 3.439 10 0 DGAERO Brc1cc(CN2CCC23CCOCC3)cs1 ZINC000376498868 433754494 /nfs/dbraw/zinc/75/44/94/433754494.db2.gz BZOPLSACVWRKKK-UHFFFAOYSA-N 1 0 302.237 3.266 10 0 DGAERO COC1CCN(C(C)(C)C[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000356908454 433759910 /nfs/dbraw/zinc/75/99/10/433759910.db2.gz XTTHPAFQSHMIIZ-ROUUACIJSA-N 1 0 308.510 3.434 10 0 DGAERO CCCc1nnc(NCc2ccc(C[NH+](C)C)c(F)c2)s1 ZINC000301896222 433783088 /nfs/dbraw/zinc/78/30/88/433783088.db2.gz ULYHWYFJIVNUEB-UHFFFAOYSA-N 1 0 308.426 3.303 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000430251755 433788289 /nfs/dbraw/zinc/78/82/89/433788289.db2.gz OXDCXNMLGWHJEA-LJQANCHMSA-N 1 0 310.445 3.481 10 0 DGAERO CC(C)(C)n1cc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cn1 ZINC000343341964 433797050 /nfs/dbraw/zinc/79/70/50/433797050.db2.gz QAVKWYOVPWSRBC-IAGOWNOFSA-N 1 0 317.408 3.085 10 0 DGAERO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1nc(C2CC2)no1 ZINC000284282726 433876063 /nfs/dbraw/zinc/87/60/63/433876063.db2.gz NKXSCCYFKZMHIE-APHBMKBZSA-N 1 0 312.417 3.043 10 0 DGAERO c1ccc(OC2CCCC2)c(CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000422561969 433919585 /nfs/dbraw/zinc/91/95/85/433919585.db2.gz OOHOATJNVVGLNO-UHFFFAOYSA-N 1 0 300.446 3.336 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NCc1cc(Br)ccc1Cl ZINC000414937906 433925639 /nfs/dbraw/zinc/92/56/39/433925639.db2.gz CVHUPAXRIHVFQJ-NOZJJQNGSA-N 1 0 317.658 3.190 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000362953857 433925905 /nfs/dbraw/zinc/92/59/05/433925905.db2.gz CTLVVYPNJLJZAV-DLBZAZTESA-N 1 0 307.459 3.052 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000377415529 433879675 /nfs/dbraw/zinc/87/96/75/433879675.db2.gz YODKIEPXRXXUEX-RDJZCZTQSA-N 1 0 323.440 3.259 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)CSC2CC2)[C@H]1c1cccs1 ZINC000449935525 433880839 /nfs/dbraw/zinc/88/08/39/433880839.db2.gz RKVNRTGRAHHORS-LRDDRELGSA-N 1 0 324.515 3.143 10 0 DGAERO COC(C)(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000377466151 433885730 /nfs/dbraw/zinc/88/57/30/433885730.db2.gz WEJMNQUQFCHHSB-CZUORRHYSA-N 1 0 324.490 3.062 10 0 DGAERO C[NH+]1CCC(CC(=O)Nc2ccc(OCC(F)F)cc2)CC1 ZINC000362878598 433891766 /nfs/dbraw/zinc/89/17/66/433891766.db2.gz SFUJUQGZAIQJRQ-UHFFFAOYSA-N 1 0 312.360 3.001 10 0 DGAERO OCCC1([NH2+]Cc2ccc(Br)s2)CCCC1 ZINC000285490919 433965597 /nfs/dbraw/zinc/96/55/97/433965597.db2.gz MAWYJPWJHDZDRP-UHFFFAOYSA-N 1 0 304.253 3.295 10 0 DGAERO C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000377751679 433982947 /nfs/dbraw/zinc/98/29/47/433982947.db2.gz XGMRYUQTQFOWJE-MYZZLAAOSA-N 1 0 322.493 3.151 10 0 DGAERO CC(=O)CC(C)(C)CC(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000345908398 433989323 /nfs/dbraw/zinc/98/93/23/433989323.db2.gz NSYHZFVKAWXWQU-UHFFFAOYSA-N 1 0 324.509 3.495 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000304544999 434015353 /nfs/dbraw/zinc/01/53/53/434015353.db2.gz DUQFFSCIUFTPFA-UWVGGRQHSA-N 1 0 304.253 3.151 10 0 DGAERO Cc1ccc(Br)cc1C[NH2+][C@](C)(CO)C(C)C ZINC000398454662 293854808 /nfs/dbraw/zinc/85/48/08/293854808.db2.gz FVLDGLAXAHQACN-CQSZACIVSA-N 1 0 300.240 3.254 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)CC2 ZINC000377798361 434001798 /nfs/dbraw/zinc/00/17/98/434001798.db2.gz HOADOSIIUVVINM-BEFAXECRSA-N 1 0 304.397 3.041 10 0 DGAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000309541746 434094633 /nfs/dbraw/zinc/09/46/33/434094633.db2.gz MEMIBJOEJHAMSJ-DOTOQJQBSA-N 1 0 300.446 3.203 10 0 DGAERO C[C@@H]1CN(Cc2ccc(F)cc2Br)C[C@@]1(C)C[NH3+] ZINC000311211068 434111526 /nfs/dbraw/zinc/11/15/26/434111526.db2.gz PECUTJBZDHSHJE-QMTHXVAHSA-N 1 0 315.230 3.005 10 0 DGAERO C[N@@H+](Cc1ccccc1Br)C[C@H]1CCC[C@H](O)C1 ZINC000311136991 434112565 /nfs/dbraw/zinc/11/25/65/434112565.db2.gz SFQJDJNXVMKFJL-JSGCOSHPSA-N 1 0 312.251 3.432 10 0 DGAERO C[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CCC[C@@H](O)C1 ZINC000310817333 434113525 /nfs/dbraw/zinc/11/35/25/434113525.db2.gz BBLZYFQAXZINSD-DZGCQCFKSA-N 1 0 312.251 3.432 10 0 DGAERO C(=C/c1ccccc1)\CC[NH+]1CCN(Cc2cscn2)CC1 ZINC000450339070 434115644 /nfs/dbraw/zinc/11/56/44/434115644.db2.gz NRURWRCNAXNUJO-XBXARRHUSA-N 1 0 313.470 3.364 10 0 DGAERO Cn1cnc(CC[NH2+][C@H]2CCc3cc(Br)ccc32)c1 ZINC000313265465 434125399 /nfs/dbraw/zinc/12/53/99/434125399.db2.gz PAUKBQZMTBIPIU-HNNXBMFYSA-N 1 0 320.234 3.002 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000499866154 294097913 /nfs/dbraw/zinc/09/79/13/294097913.db2.gz XOZGLMJBFAPOMD-QUCCMNQESA-N 1 0 314.473 3.441 10 0 DGAERO O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC(C2CCC2)C1 ZINC000504454405 294217130 /nfs/dbraw/zinc/21/71/30/294217130.db2.gz YMTRLOULRGEZCQ-OAHLLOKOSA-N 1 0 313.363 3.341 10 0 DGAERO CN1Cc2ccccc2[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000378284777 434129042 /nfs/dbraw/zinc/12/90/42/434129042.db2.gz FVDBLKNXOKKVLE-HNNXBMFYSA-N 1 0 308.372 3.115 10 0 DGAERO CN(CC1CC1)C(=O)C[N@H+](C)CCc1cccc2ccccc21 ZINC000507287324 294292564 /nfs/dbraw/zinc/29/25/64/294292564.db2.gz SOALTLKIBUPCDK-UHFFFAOYSA-N 1 0 310.441 3.183 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000510260068 294379368 /nfs/dbraw/zinc/37/93/68/294379368.db2.gz RIXZBOONRUIGDV-GOSISDBHSA-N 1 0 314.473 3.441 10 0 DGAERO COc1cc(OC)c(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)c(OC)c1 ZINC000510671544 294389386 /nfs/dbraw/zinc/38/93/86/294389386.db2.gz QCIWSWPFUFLGDY-DOTOQJQBSA-N 1 0 319.445 3.423 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1OC ZINC000510701110 294389890 /nfs/dbraw/zinc/38/98/90/294389890.db2.gz GJUDFBLAJIBSJI-HOCLYGCPSA-N 1 0 303.402 3.150 10 0 DGAERO COc1ccc(CC[NH2+][C@H]2CC[C@H]2C2CCC2)c(OC)c1OC ZINC000510737167 294391276 /nfs/dbraw/zinc/39/12/76/294391276.db2.gz SIIAIEWMFXSGOB-HOTGVXAUSA-N 1 0 319.445 3.423 10 0 DGAERO COc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c(OC)c1OC ZINC000510737170 294391357 /nfs/dbraw/zinc/39/13/57/294391357.db2.gz SIIAIEWMFXSGOB-HZPDHXFCSA-N 1 0 319.445 3.423 10 0 DGAERO c1ccc(N2CC[C@H]([NH2+][C@@H]3CCc4ccccc4OC3)C2)cc1 ZINC000511018477 294398784 /nfs/dbraw/zinc/39/87/84/294398784.db2.gz QFLGJMPIUVVKTJ-ZWKOTPCHSA-N 1 0 308.425 3.249 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H](CO)CC1CCCC1 ZINC000511033866 294399729 /nfs/dbraw/zinc/39/97/29/294399729.db2.gz BGIIJLNFLCIPQF-UXPWSPDFSA-N 1 0 316.489 3.038 10 0 DGAERO CCCc1ccc2[nH+]ccc(N3CCN(C(C)=O)C[C@H]3C)c2c1 ZINC000450391735 434147978 /nfs/dbraw/zinc/14/79/78/434147978.db2.gz RBEAKBDXHIEGBF-CQSZACIVSA-N 1 0 311.429 3.244 10 0 DGAERO COc1ccc(CC[NH+]2CCC(c3nccc(C)n3)CC2)cc1 ZINC000363800036 434148564 /nfs/dbraw/zinc/14/85/64/434148564.db2.gz MJUZSILUCHQFIC-UHFFFAOYSA-N 1 0 311.429 3.216 10 0 DGAERO c1cn(C2CCCC2)nc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422991915 434151514 /nfs/dbraw/zinc/15/15/14/434151514.db2.gz QLGDHXQXJGSGCY-OKZBNKHCSA-N 1 0 302.466 3.009 10 0 DGAERO c1cn(C2CCCC2)nc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422994167 434158159 /nfs/dbraw/zinc/15/81/59/434158159.db2.gz USPBVSJTFYNJPH-GUDVDZBRSA-N 1 0 316.493 3.399 10 0 DGAERO Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)N[C@@H](C)C[NH+](C)C)o1 ZINC000512435812 294441668 /nfs/dbraw/zinc/44/16/68/294441668.db2.gz CTDCHWQZWBRKCH-KCQAQPDRSA-N 1 0 307.438 3.021 10 0 DGAERO OCCC1([NH2+]Cc2ccc(F)c(Br)c2)CCCC1 ZINC000512501875 294444118 /nfs/dbraw/zinc/44/41/18/294444118.db2.gz QUYQHRJTNFXXMF-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO CC(=O)c1cc(F)ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000315793865 434172157 /nfs/dbraw/zinc/17/21/57/434172157.db2.gz ZKQFEUKJFOQMAR-UHFFFAOYSA-N 1 0 304.409 3.341 10 0 DGAERO c1c[nH]c([C@H]2CCC[N@@H+](Cc3cc(-n4ccnc4)cs3)C2)n1 ZINC000346180292 434176665 /nfs/dbraw/zinc/17/66/65/434176665.db2.gz QAPDRGVRBPIUQX-ZDUSSCGKSA-N 1 0 313.430 3.037 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)C(C2CCC2)C2CCC2)CC1 ZINC000513343400 294469115 /nfs/dbraw/zinc/46/91/15/294469115.db2.gz NHGOBCCRBGINSP-UHFFFAOYSA-N 1 0 306.494 3.441 10 0 DGAERO COc1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)ccc1Cl ZINC000450475985 434210929 /nfs/dbraw/zinc/21/09/29/434210929.db2.gz LZTMISQBHOHPMO-UHFFFAOYSA-N 1 0 305.809 3.451 10 0 DGAERO CN(C)C1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCC1 ZINC000437106944 434213620 /nfs/dbraw/zinc/21/36/20/434213620.db2.gz JIFBLNGOYXVMGN-AEFFLSMTSA-N 1 0 302.462 3.228 10 0 DGAERO Cc1ccccc1[C@@H]([C@H](C)NC(=O)CCOCC(C)C)[NH+](C)C ZINC000357856918 434215429 /nfs/dbraw/zinc/21/54/29/434215429.db2.gz TZIJHFSDUBCPIN-QFBILLFUSA-N 1 0 320.477 3.165 10 0 DGAERO CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000378545471 434218831 /nfs/dbraw/zinc/21/88/31/434218831.db2.gz DYZSZXDZRBJRMO-CQSZACIVSA-N 1 0 304.438 3.128 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000324445261 434276018 /nfs/dbraw/zinc/27/60/18/434276018.db2.gz UJURTJCZWNOXFK-GXSJLCMTSA-N 1 0 318.280 3.495 10 0 DGAERO COC[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000379647187 434257119 /nfs/dbraw/zinc/25/71/19/434257119.db2.gz KDWAFSKEZFCTBU-MOPGFXCFSA-N 1 0 304.478 3.302 10 0 DGAERO Ic1cnc(C[NH2+]CCCC2CC2)s1 ZINC000379588477 434259917 /nfs/dbraw/zinc/25/99/17/434259917.db2.gz UCDIZWJZKIKMAJ-UHFFFAOYSA-N 1 0 322.215 3.028 10 0 DGAERO c1ccc2c(c1)NCCC[C@H]2[NH2+]CCCNCc1cccnc1 ZINC000423191580 434275158 /nfs/dbraw/zinc/27/51/58/434275158.db2.gz SYMQFBWCWXOVLI-LJQANCHMSA-N 1 0 310.445 3.098 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cnns2)CC1 ZINC000450494389 434226262 /nfs/dbraw/zinc/22/62/62/434226262.db2.gz LKHVKDHYFBOMDM-AWEZNQCLSA-N 1 0 308.495 3.015 10 0 DGAERO C[C@H](c1ccc(Br)s1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383442396 434287047 /nfs/dbraw/zinc/28/70/47/434287047.db2.gz HCEPIRQWNGORPD-GIPNMCIBSA-N 1 0 317.296 3.488 10 0 DGAERO CN1CCC[C@@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000383831704 434288733 /nfs/dbraw/zinc/28/87/33/434288733.db2.gz SONAEFVJXZKBON-MWLCHTKSSA-N 1 0 315.280 3.182 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000385044559 434299420 /nfs/dbraw/zinc/29/94/20/434299420.db2.gz ZOYZHVZZEDJZTN-ISTVAULSSA-N 1 0 314.223 3.113 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000450627206 434302987 /nfs/dbraw/zinc/30/29/87/434302987.db2.gz TZZMKXQYRSRMDX-QLFBSQMISA-N 1 0 322.415 3.027 10 0 DGAERO C[N@H+]1CC=C(CNC(=O)C2=C(c3ccccc3)CCCC2)CC1 ZINC000450633540 434304336 /nfs/dbraw/zinc/30/43/36/434304336.db2.gz AOPNBFBZPNNIRP-UHFFFAOYSA-N 1 0 310.441 3.392 10 0 DGAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000386278130 434308245 /nfs/dbraw/zinc/30/82/45/434308245.db2.gz NMYQNGCJTMTSGM-DGCLKSJQSA-N 1 0 306.793 3.198 10 0 DGAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000386339111 434309629 /nfs/dbraw/zinc/30/96/29/434309629.db2.gz WTSUWHGJHIWOFW-DGCLKSJQSA-N 1 0 306.793 3.198 10 0 DGAERO Cc1nc(-c2cc3c(s2)CC[N@@H+](CC[C@H](C)O)C3)cs1 ZINC000450643339 434311676 /nfs/dbraw/zinc/31/16/76/434311676.db2.gz KDCAXFYYPPGZPS-JTQLQIEISA-N 1 0 308.472 3.309 10 0 DGAERO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccsc1Br ZINC000388519406 434334479 /nfs/dbraw/zinc/33/44/79/434334479.db2.gz WHHKFJKEOGLKEI-KOLCDFICSA-N 1 0 304.253 3.151 10 0 DGAERO COC[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000450676740 434333066 /nfs/dbraw/zinc/33/30/66/434333066.db2.gz FPBQUSNRMPRRTP-JVPBZIDWSA-N 1 0 317.404 3.267 10 0 DGAERO CC(C)C1CC([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390578999 434363107 /nfs/dbraw/zinc/36/31/07/434363107.db2.gz PUTDOUGBYXUHQJ-MHJFOBGBSA-N 1 0 316.489 3.302 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2ccccc2Br)CC1 ZINC000358171811 434365810 /nfs/dbraw/zinc/36/58/10/434365810.db2.gz UGTXJMBGFXGOHO-UHFFFAOYSA-N 1 0 309.251 3.191 10 0 DGAERO Nc1c(F)cccc1C[NH2+]CCCCOCc1ccccc1 ZINC000390748942 434367504 /nfs/dbraw/zinc/36/75/04/434367504.db2.gz BVQNZQBAROCFJW-UHFFFAOYSA-N 1 0 302.393 3.495 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)c(C)s1 ZINC000358182258 434368931 /nfs/dbraw/zinc/36/89/31/434368931.db2.gz CVTGGQAZJNKLCL-CQSZACIVSA-N 1 0 321.490 3.377 10 0 DGAERO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000437982910 434379366 /nfs/dbraw/zinc/37/93/66/434379366.db2.gz DATYLBSDHHJRGR-TXPKVOOTSA-N 1 0 319.445 3.005 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000358199169 434381454 /nfs/dbraw/zinc/38/14/54/434381454.db2.gz QZZNNNGLJSWOIN-GOSISDBHSA-N 1 0 313.445 3.089 10 0 DGAERO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC[C@@H](C)O ZINC000450751706 434387354 /nfs/dbraw/zinc/38/73/54/434387354.db2.gz BRGPBZWZZDETJV-TZMCWYRMSA-N 1 0 314.267 3.473 10 0 DGAERO Brc1sccc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000388544408 434338276 /nfs/dbraw/zinc/33/82/76/434338276.db2.gz FAUHGTIRKQULPW-RYUDHWBXSA-N 1 0 315.280 3.227 10 0 DGAERO C[C@@H](CNCc1ccsc1Br)C[NH+]1CCCC1 ZINC000388847685 434341781 /nfs/dbraw/zinc/34/17/81/434341781.db2.gz ZYLXEOCONYWWAC-NSHDSACASA-N 1 0 317.296 3.332 10 0 DGAERO CCN1CC[C@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000389222003 434345448 /nfs/dbraw/zinc/34/54/48/434345448.db2.gz FTRKEBZMCLDXDL-GXSJLCMTSA-N 1 0 315.280 3.182 10 0 DGAERO c1cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)n(-c2ccccc2)n1 ZINC000366154909 434346582 /nfs/dbraw/zinc/34/65/82/434346582.db2.gz DXANMMOFFCEBOL-QGZVFWFLSA-N 1 0 311.429 3.121 10 0 DGAERO CC[C@@H]([NH2+]C1COCCOC1)c1ccc(Cl)cc1Cl ZINC000389350406 434346645 /nfs/dbraw/zinc/34/66/45/434346645.db2.gz YUHXALQQWXXVOL-CQSZACIVSA-N 1 0 304.217 3.450 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000389222007 434348930 /nfs/dbraw/zinc/34/89/30/434348930.db2.gz FTRKEBZMCLDXDL-MWLCHTKSSA-N 1 0 315.280 3.182 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000389844645 434350490 /nfs/dbraw/zinc/35/04/90/434350490.db2.gz PYZDJVQDCOZNLH-PELKAZGASA-N 1 0 302.205 3.113 10 0 DGAERO CC(C)n1cncc1C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389787262 434352761 /nfs/dbraw/zinc/35/27/61/434352761.db2.gz MUIFYCVNXQMABE-QFBILLFUSA-N 1 0 312.461 3.074 10 0 DGAERO C[C@]1(C[NH2+]Cc2ccn(Cc3ccccc3)n2)CCCS1 ZINC000389968422 434358397 /nfs/dbraw/zinc/35/83/97/434358397.db2.gz PYDJUIZPAWSOOJ-QGZVFWFLSA-N 1 0 301.459 3.307 10 0 DGAERO CC[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000397918709 434445557 /nfs/dbraw/zinc/44/55/57/434445557.db2.gz MFPCIMWNIYBGGV-HSALFYBXSA-N 1 0 316.489 3.446 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1=CCOCC1 ZINC000397893788 434447766 /nfs/dbraw/zinc/44/77/66/434447766.db2.gz UCYVWHTUIYQZSH-LBPRGKRZSA-N 1 0 310.235 3.316 10 0 DGAERO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cccc(Br)c1 ZINC000394363812 434401913 /nfs/dbraw/zinc/40/19/13/434401913.db2.gz JUYYLLFHUQWTJW-FHXAZYNBSA-N 1 0 322.246 3.304 10 0 DGAERO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1c(F)cccc1Br ZINC000394740915 434406461 /nfs/dbraw/zinc/40/64/61/434406461.db2.gz IMXNUZSBEQERFY-TVQRCGJNSA-N 1 0 302.187 3.245 10 0 DGAERO CCc1nc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)cs1 ZINC000396422692 434422678 /nfs/dbraw/zinc/42/26/78/434422678.db2.gz PQEWMQPGVSZWNL-UHFFFAOYSA-N 1 0 308.369 3.031 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000366493255 434433738 /nfs/dbraw/zinc/43/37/38/434433738.db2.gz VVFNEQNARLADAX-AEFFLSMTSA-N 1 0 316.445 3.057 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+][C@@](C)(CO)C(C)C ZINC000398609492 434461133 /nfs/dbraw/zinc/46/11/33/434461133.db2.gz ZYTKVXWMOHMYNT-AWEZNQCLSA-N 1 0 300.240 3.254 10 0 DGAERO CCOC(C)(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400460369 434485112 /nfs/dbraw/zinc/48/51/12/434485112.db2.gz RIANHZHMBLYGCN-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000400329031 434485372 /nfs/dbraw/zinc/48/53/72/434485372.db2.gz BIGJIUOVHHOWRT-HOCLYGCPSA-N 1 0 319.449 3.125 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCC[C@H]1CCOC1 ZINC000400666695 434488971 /nfs/dbraw/zinc/48/89/71/434488971.db2.gz YCDMRTQCIOCGRF-SFHVURJKSA-N 1 0 304.478 3.303 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCSC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400769776 434490193 /nfs/dbraw/zinc/49/01/93/434490193.db2.gz ZVOGNSYPKJOGIM-MJBXVCDLSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@]1(C[NH2+]CC[C@H]2CCOC2)CCCN1Cc1ccccc1 ZINC000400602638 434490337 /nfs/dbraw/zinc/49/03/37/434490337.db2.gz DPUCHMQHCHZYBN-OALUTQOASA-N 1 0 302.462 3.057 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(C)C)C2)cc1 ZINC000438505972 434497240 /nfs/dbraw/zinc/49/72/40/434497240.db2.gz RGHDTSVKOQGUHV-XJKSGUPXSA-N 1 0 302.418 3.194 10 0 DGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc(Cl)ccc1Cl ZINC000401685674 434500801 /nfs/dbraw/zinc/50/08/01/434500801.db2.gz XNYYBFIHEPQRBA-CYBMUJFWSA-N 1 0 313.228 3.398 10 0 DGAERO C[C@@]1(C[NH2+][C@@H]2CCCOCC2)CCCN1Cc1ccccc1 ZINC000397973102 434449125 /nfs/dbraw/zinc/44/91/25/434449125.db2.gz CGGLCGSCLMFIEI-MOPGFXCFSA-N 1 0 302.462 3.200 10 0 DGAERO CCOC1CC([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000397983951 434452259 /nfs/dbraw/zinc/45/22/59/434452259.db2.gz HZTHTIIWZXVJOV-ACBHZAAOSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cccc(Cl)c1Cl ZINC000404183123 434508170 /nfs/dbraw/zinc/50/81/70/434508170.db2.gz DOCXWGVQGDSYNF-IINYFYTJSA-N 1 0 304.217 3.186 10 0 DGAERO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Cl)ccc1Cl ZINC000404194511 434508512 /nfs/dbraw/zinc/50/85/12/434508512.db2.gz LIDWTRINKGJKNI-YGRLFVJLSA-N 1 0 304.217 3.186 10 0 DGAERO Brc1ccc(CC[NH2+]Cc2ccns2)s1 ZINC000404432905 434515933 /nfs/dbraw/zinc/51/59/33/434515933.db2.gz CEFIAFCLOXWCJF-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000523472429 294948616 /nfs/dbraw/zinc/94/86/16/294948616.db2.gz QYXNEYJFNULTCH-QGZVFWFLSA-N 1 0 317.477 3.082 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000360159789 434535888 /nfs/dbraw/zinc/53/58/88/434535888.db2.gz ASCIKDVECTYCBG-GOSISDBHSA-N 1 0 318.436 3.439 10 0 DGAERO Cc1sccc1CC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458226641 434538950 /nfs/dbraw/zinc/53/89/50/434538950.db2.gz QWSBWBIMZNDZCY-UHFFFAOYSA-N 1 0 322.499 3.251 10 0 DGAERO Cc1nc([C@@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cs1 ZINC000408099438 434543706 /nfs/dbraw/zinc/54/37/06/434543706.db2.gz LGVVPEWVYYVMJD-SNVBAGLBSA-N 1 0 324.494 3.121 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@H]1CCCCS1)CC2 ZINC000526014265 295051114 /nfs/dbraw/zinc/05/11/14/295051114.db2.gz OTHALTIVTXKYNZ-QWHCGFSZSA-N 1 0 321.490 3.040 10 0 DGAERO CC(C)[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C(F)(F)F ZINC000526067956 295054931 /nfs/dbraw/zinc/05/49/31/295054931.db2.gz VEJXUNCUXCHYPO-LBPRGKRZSA-N 1 0 323.403 3.089 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000527355636 295093824 /nfs/dbraw/zinc/09/38/24/295093824.db2.gz WMSHUXXERLTYOC-CJNGLKHVSA-N 1 0 308.853 3.434 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000527463771 295097260 /nfs/dbraw/zinc/09/72/60/295097260.db2.gz XPAJVEYBUSKSEG-RDJZCZTQSA-N 1 0 321.440 3.055 10 0 DGAERO Cn1c2ccc(C[NH2+]C/C=C\c3ccccc3)cc2sc1=O ZINC000527525992 295101198 /nfs/dbraw/zinc/10/11/98/295101198.db2.gz KGNBNCAVKTWONT-YVMONPNESA-N 1 0 310.422 3.403 10 0 DGAERO Cc1n[nH]cc1CCC[NH2+]Cc1ccsc1Br ZINC000527635998 295107525 /nfs/dbraw/zinc/10/75/25/295107525.db2.gz IDCLGORTWSKFLY-UHFFFAOYSA-N 1 0 314.252 3.265 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@H]1CCCO1 ZINC000527637046 295107533 /nfs/dbraw/zinc/10/75/33/295107533.db2.gz HEXORPTYUTZAAS-LDYMZIIASA-N 1 0 320.177 3.384 10 0 DGAERO Clc1cnccc1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000527661234 295111511 /nfs/dbraw/zinc/11/15/11/295111511.db2.gz NOBFLBVEVYPGEL-UHFFFAOYSA-N 1 0 304.777 3.070 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527699028 295117216 /nfs/dbraw/zinc/11/72/16/295117216.db2.gz FNQLRDPXFCBUOQ-LDYMZIIASA-N 1 0 320.177 3.242 10 0 DGAERO c1cn(-c2ccccc2)nc1CNC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527754400 295126000 /nfs/dbraw/zinc/12/60/00/295126000.db2.gz ZJNXHSMMMFFZLT-HXUWFJFHSA-N 1 0 324.472 3.369 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2CCN2C2CCCC2)C1 ZINC000528004254 295164817 /nfs/dbraw/zinc/16/48/17/295164817.db2.gz WHLAMUBYSXMRLR-ZBFHGGJFSA-N 1 0 309.457 3.242 10 0 DGAERO Brc1ccccc1C[C@H]([NH2+]CC1COC1)C1CC1 ZINC000528023619 295168514 /nfs/dbraw/zinc/16/85/14/295168514.db2.gz BZRKKZDBWYFMGG-HNNXBMFYSA-N 1 0 310.235 3.006 10 0 DGAERO Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000408443655 434576899 /nfs/dbraw/zinc/57/68/99/434576899.db2.gz OPDSSRLLZLNZQQ-DZGCQCFKSA-N 1 0 314.433 3.423 10 0 DGAERO CC[C@H](C)[N@H+](CCO)Cc1ccc(Br)c(F)c1F ZINC000528501479 295219875 /nfs/dbraw/zinc/21/98/75/295219875.db2.gz GKCJOFFQMPMVML-VIFPVBQESA-N 1 0 322.193 3.320 10 0 DGAERO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)C[C@@]1(C)C[NH3+] ZINC000423979225 434594578 /nfs/dbraw/zinc/59/45/78/434594578.db2.gz BBALPBQRFUNQGQ-XLKFXECMSA-N 1 0 319.207 3.189 10 0 DGAERO COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000360438809 434605717 /nfs/dbraw/zinc/60/57/17/434605717.db2.gz ZZEYWTAJAKUASQ-SJLPKXTDSA-N 1 0 302.462 3.056 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NCC2(C(C)C)CC2)CC1 ZINC000440332557 434692760 /nfs/dbraw/zinc/69/27/60/434692760.db2.gz ARWHJXLYJDACDQ-UHFFFAOYSA-N 1 0 309.498 3.186 10 0 DGAERO c1cn(-c2csc(C[N@H+](Cc3cccnc3)C3CC3)c2)cn1 ZINC000349245307 434649379 /nfs/dbraw/zinc/64/93/79/434649379.db2.gz PKBJFQARJOBGDW-UHFFFAOYSA-N 1 0 310.426 3.493 10 0 DGAERO Brc1ccc(-c2c[nH]c(C[NH2+][C@H]3CC34CC4)n2)cc1 ZINC000424182077 434650228 /nfs/dbraw/zinc/65/02/28/434650228.db2.gz FSPAFDGOFXWCCP-ZDUSSCGKSA-N 1 0 318.218 3.481 10 0 DGAERO Cc1ncc(C[NH2+][C@H]2CCc3cccc(Br)c3C2)o1 ZINC000459669566 434657968 /nfs/dbraw/zinc/65/79/68/434657968.db2.gz DMPLUWNVXNUYLZ-LBPRGKRZSA-N 1 0 321.218 3.393 10 0 DGAERO Cc1csc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000440147895 434681306 /nfs/dbraw/zinc/68/13/06/434681306.db2.gz QQOIENLMXYEKDT-GXTWGEPZSA-N 1 0 307.463 3.036 10 0 DGAERO CC[C@H](C)[C@@H](C)N(C(=O)NCC[N@H+]1CC=C(C)CC1)C1CC1 ZINC000460226329 434747973 /nfs/dbraw/zinc/74/79/73/434747973.db2.gz IOEHHBDSPKTVLX-JKSUJKDBSA-N 1 0 307.482 3.247 10 0 DGAERO O=C(C[NH2+]C1(c2ccccc2)CCCCC1)NCC1CCC1 ZINC000440929662 434753828 /nfs/dbraw/zinc/75/38/28/434753828.db2.gz ROXZRXNDBUZZEV-UHFFFAOYSA-N 1 0 300.446 3.352 10 0 DGAERO CC(=O)c1cccc(NC(=O)C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459770191 434707909 /nfs/dbraw/zinc/70/79/09/434707909.db2.gz MSNZSJIFLWKJHW-UHFFFAOYSA-N 1 0 300.402 3.140 10 0 DGAERO CC[NH+](CC)CCCNC(=O)NCc1oc2ccccc2c1C ZINC000360874308 434717303 /nfs/dbraw/zinc/71/73/03/434717303.db2.gz QXULYIDMCTXUHX-UHFFFAOYSA-N 1 0 317.433 3.272 10 0 DGAERO c1ccc(C[NH+]2CCC(Nc3cccc4c3OCCC4)CC2)nc1 ZINC000371484669 434717548 /nfs/dbraw/zinc/71/75/48/434717548.db2.gz GFJPSPWQDPNIMS-UHFFFAOYSA-N 1 0 323.440 3.483 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Cc2csc3ccccc23)CC1 ZINC000360901590 434726901 /nfs/dbraw/zinc/72/69/01/434726901.db2.gz LLQPIBAVKALPLB-UHFFFAOYSA-N 1 0 314.454 3.212 10 0 DGAERO Cc1cccc(OCC[NH+]2CCC(c3nccc(C)n3)CC2)c1 ZINC000371822446 434757939 /nfs/dbraw/zinc/75/79/39/434757939.db2.gz KKLWNCDRBNGFRP-UHFFFAOYSA-N 1 0 311.429 3.352 10 0 DGAERO COc1ccc(Br)cc1SC[C@H](C)[NH+](C)C ZINC000460451703 434758475 /nfs/dbraw/zinc/75/84/75/434758475.db2.gz CGKIRXBRFREXQX-VIFPVBQESA-N 1 0 304.253 3.500 10 0 DGAERO c1ccc2ncc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)cc2c1 ZINC000372434630 434827136 /nfs/dbraw/zinc/82/71/36/434827136.db2.gz DNSKVNPDPLSXIL-QGZVFWFLSA-N 1 0 304.397 3.404 10 0 DGAERO C[C@@H](CCO)CC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000453239437 434836314 /nfs/dbraw/zinc/83/63/14/434836314.db2.gz UQECSNMWWZGRMH-DYVFJYSZSA-N 1 0 321.852 3.161 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNc2ccc(F)cn2)[C@@H]1c1cccs1 ZINC000553078390 434876273 /nfs/dbraw/zinc/87/62/73/434876273.db2.gz HSKWYNKGPRUPTH-BLLLJJGKSA-N 1 0 305.422 3.199 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000461311720 434876500 /nfs/dbraw/zinc/87/65/00/434876500.db2.gz ZSOMSPUPTBVLHB-WMZOPIPTSA-N 1 0 302.462 3.225 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000461311717 434877061 /nfs/dbraw/zinc/87/70/61/434877061.db2.gz ZSOMSPUPTBVLHB-AEFFLSMTSA-N 1 0 302.462 3.225 10 0 DGAERO Brc1cnn(CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000521287678 434880314 /nfs/dbraw/zinc/88/03/14/434880314.db2.gz ZUKIXWILRIYETN-UONOGXRCSA-N 1 0 312.255 3.204 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000461956384 434894379 /nfs/dbraw/zinc/89/43/79/434894379.db2.gz KRZZAIXIGXETHG-AWEZNQCLSA-N 1 0 319.440 3.328 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NCC2(C)CCCC2)CC1 ZINC000553575694 434895237 /nfs/dbraw/zinc/89/52/37/434895237.db2.gz LZPCWIHLUOMKDR-UHFFFAOYSA-N 1 0 309.498 3.330 10 0 DGAERO C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(F)c(F)c1 ZINC000461101784 434871634 /nfs/dbraw/zinc/87/16/34/434871634.db2.gz NAGOLZPINKNYBU-LLVKDONJSA-N 1 0 305.372 3.428 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000523408128 434946816 /nfs/dbraw/zinc/94/68/16/434946816.db2.gz GKIXDIIDZWMXTL-QZWWFDLISA-N 1 0 302.462 3.476 10 0 DGAERO C[C@@H](CCNC(=O)NCCCC1CC1)[N@H+](C)Cc1ccccc1 ZINC000531078080 435068471 /nfs/dbraw/zinc/06/84/71/435068471.db2.gz GLRIUDPBGUUUTJ-INIZCTEOSA-N 1 0 317.477 3.386 10 0 DGAERO C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000557890582 435070635 /nfs/dbraw/zinc/07/06/35/435070635.db2.gz CDXHINLRRAMSAE-YESZJQIVSA-N 1 0 302.462 3.244 10 0 DGAERO C[C@@H]1C[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465674273 435037844 /nfs/dbraw/zinc/03/78/44/435037844.db2.gz BOGBHADCXYBUDF-KQTLUZQSSA-N 1 0 321.490 3.086 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000465983142 435056430 /nfs/dbraw/zinc/05/64/30/435056430.db2.gz BRGHFMTWOGYNHI-GJZGRUSLSA-N 1 0 309.498 3.232 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000578754460 435108010 /nfs/dbraw/zinc/10/80/10/435108010.db2.gz RHVBVTTWBZKUTB-OAHLLOKOSA-N 1 0 318.424 3.135 10 0 DGAERO CCOC(=O)C[N@H+](CCCc1cccc(OC)c1)C1CCC1 ZINC000467182962 435111119 /nfs/dbraw/zinc/11/11/19/435111119.db2.gz VVSXKHZSZPGJKS-UHFFFAOYSA-N 1 0 305.418 3.045 10 0 DGAERO c1c2cccnc2oc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000560098694 435150199 /nfs/dbraw/zinc/15/01/99/435150199.db2.gz UEPQEGFLKYDHBW-CQSZACIVSA-N 1 0 323.400 3.203 10 0 DGAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000531954695 435128916 /nfs/dbraw/zinc/12/89/16/435128916.db2.gz JOVDJJWUYLMPFN-RNCFNFMXSA-N 1 0 317.658 3.142 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc(OC)c1 ZINC000475270280 435185266 /nfs/dbraw/zinc/18/52/66/435185266.db2.gz QCJQNLZJDVISCE-QMTHXVAHSA-N 1 0 303.324 3.477 10 0 DGAERO C[C@H](CCc1cccc(F)c1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475626895 435206440 /nfs/dbraw/zinc/20/64/40/435206440.db2.gz PUQJJNATFHWGDI-BEFAXECRSA-N 1 0 321.436 3.417 10 0 DGAERO C[C@H](C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)C1C[NH2+]C1 ZINC000262059427 298021657 /nfs/dbraw/zinc/02/16/57/298021657.db2.gz IJIHESDCYOOFFS-SCLBCKFNSA-N 1 0 311.429 3.077 10 0 DGAERO Clc1ccc(-n2cc(C[NH2+]CCOCC3CCC3)cn2)cc1 ZINC000583846169 435247113 /nfs/dbraw/zinc/24/71/13/435247113.db2.gz VPTLFTZAFYVUTG-UHFFFAOYSA-N 1 0 319.836 3.432 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000533739848 435254774 /nfs/dbraw/zinc/25/47/74/435254774.db2.gz GZSRWGRVHMIUDO-NXEZZACHSA-N 1 0 311.216 3.320 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000496818088 435257980 /nfs/dbraw/zinc/25/79/80/435257980.db2.gz SQTMAXOECCCDRQ-LLVKDONJSA-N 1 0 304.381 3.021 10 0 DGAERO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)CC2 ZINC000477856901 435280907 /nfs/dbraw/zinc/28/09/07/435280907.db2.gz FNKYGIYNVKRMGB-AZUAARDMSA-N 1 0 317.473 3.473 10 0 DGAERO C[C@H]([NH2+]CC(C)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000497030737 435287597 /nfs/dbraw/zinc/28/75/97/435287597.db2.gz WADGDJVOBONYHH-RYUDHWBXSA-N 1 0 306.397 3.267 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478233864 435293758 /nfs/dbraw/zinc/29/37/58/435293758.db2.gz OMOYQKCQFJVUMU-RYQLBKOJSA-N 1 0 318.436 3.452 10 0 DGAERO c1cn(CCCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000535087449 435318194 /nfs/dbraw/zinc/31/81/94/435318194.db2.gz HEHRAGJUJUVRCS-IEBWSBKVSA-N 1 0 313.445 3.421 10 0 DGAERO C[N@H+](Cc1ccccc1OCc1ccccn1)C1CCOCC1 ZINC000535081173 435319062 /nfs/dbraw/zinc/31/90/62/435319062.db2.gz MMZXNNKDPGMRLL-UHFFFAOYSA-N 1 0 312.413 3.271 10 0 DGAERO CN(CC1CC1)C(=O)C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000481162804 435411619 /nfs/dbraw/zinc/41/16/19/435411619.db2.gz CZBHRHJJTJDVMO-OALUTQOASA-N 1 0 314.473 3.246 10 0 DGAERO Brc1ccc([C@H]([NH2+]Cc2cc[nH]n2)C2CC2)cc1 ZINC000537000042 435421989 /nfs/dbraw/zinc/42/19/89/435421989.db2.gz KZTULOYVKPWFRD-CQSZACIVSA-N 1 0 306.207 3.413 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1CCOC[C@@H]1C ZINC000513521725 435391416 /nfs/dbraw/zinc/39/14/16/435391416.db2.gz ZNVUZNROWNEMQY-SZGZABIGSA-N 1 0 308.853 3.054 10 0 DGAERO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480766548 435393329 /nfs/dbraw/zinc/39/33/29/435393329.db2.gz RNKJCWPICIQANC-MSOLQXFVSA-N 1 0 317.477 3.223 10 0 DGAERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCCC12CCC2 ZINC000445258878 298659422 /nfs/dbraw/zinc/65/94/22/298659422.db2.gz BUALAOQIBVWOMQ-BZUAXINKSA-N 1 0 307.482 3.081 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000537527076 435446384 /nfs/dbraw/zinc/44/63/84/435446384.db2.gz JQDYIHNKOOYGDH-HXUWFJFHSA-N 1 0 314.473 3.330 10 0 DGAERO CC(C)n1cc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cn1 ZINC000537724438 435463664 /nfs/dbraw/zinc/46/36/64/435463664.db2.gz BYULWRCTXQOMLX-OAHLLOKOSA-N 1 0 321.465 3.408 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@H+](Cc1cccnc1)C1CC1 ZINC000537860492 435469395 /nfs/dbraw/zinc/46/93/95/435469395.db2.gz QPKPXDLJQSVPAG-UHFFFAOYSA-N 1 0 307.441 3.499 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000537206266 435431242 /nfs/dbraw/zinc/43/12/42/435431242.db2.gz DVYJRIKXRBDBNC-WMZOPIPTSA-N 1 0 302.462 3.246 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000537215688 435432258 /nfs/dbraw/zinc/43/22/58/435432258.db2.gz TURGUZZBYSCUIE-UHFFFAOYSA-N 1 0 307.196 3.156 10 0 DGAERO CCC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000537222694 435432740 /nfs/dbraw/zinc/43/27/40/435432740.db2.gz BDVWNSSKNUMXCK-AWEZNQCLSA-N 1 0 301.352 3.483 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)CN1Cc1ccccc1 ZINC000514834023 435440532 /nfs/dbraw/zinc/44/05/32/435440532.db2.gz WXYWSXANKXZLEH-VQIMIIECSA-N 1 0 302.462 3.056 10 0 DGAERO CCC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@H]1C[C@H](OCC)C1(C)C ZINC000483285795 435508983 /nfs/dbraw/zinc/50/89/83/435508983.db2.gz ZJXHUVXJSIQQLE-HOTGVXAUSA-N 1 0 322.497 3.449 10 0 DGAERO C[C@@H](NCc1cc(Cl)ccc1Br)[C@H]1CC[NH2+]C1 ZINC000569223335 435514322 /nfs/dbraw/zinc/51/43/22/435514322.db2.gz WABOBOBIQYSDPP-ZJUUUORDSA-N 1 0 317.658 3.190 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]CCc3ccncc3)CC23CC3)cc1 ZINC000516180656 435517795 /nfs/dbraw/zinc/51/77/95/435517795.db2.gz BHUCEUPMILJNSR-HXUWFJFHSA-N 1 0 321.468 3.411 10 0 DGAERO COC1(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)CCCCC1 ZINC000483439045 435520500 /nfs/dbraw/zinc/52/05/00/435520500.db2.gz LUCJLCRDKCQIOP-GOSISDBHSA-N 1 0 319.445 3.116 10 0 DGAERO Cc1cccnc1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000538966220 435531942 /nfs/dbraw/zinc/53/19/42/435531942.db2.gz WOICMVCTALUSNK-HNNXBMFYSA-N 1 0 304.434 3.334 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(SCC)cc2)C1 ZINC000539057338 435535240 /nfs/dbraw/zinc/53/52/40/435535240.db2.gz YRGAJOGNVSKZJE-HIFRSBDPSA-N 1 0 321.490 3.253 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000538127918 435482630 /nfs/dbraw/zinc/48/26/30/435482630.db2.gz AXLXYBNGJCFXMS-ZDUSSCGKSA-N 1 0 312.369 3.013 10 0 DGAERO CCc1ccccc1CC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000483190814 435500635 /nfs/dbraw/zinc/50/06/35/435500635.db2.gz DSXQLUQCNYQUBU-IBGZPJMESA-N 1 0 303.446 3.061 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500181 435546549 /nfs/dbraw/zinc/54/65/49/435546549.db2.gz HOOWNPQGTCMDDM-FRYIKTPZSA-N 1 0 316.489 3.038 10 0 DGAERO CCC[C@@H](CCO)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000539393527 435551350 /nfs/dbraw/zinc/55/13/50/435551350.db2.gz XEBZXQUPLNCCMD-KBXCAEBGSA-N 1 0 319.424 3.037 10 0 DGAERO c1ccc([C@H](CC2CC2)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000540163469 435590033 /nfs/dbraw/zinc/59/00/33/435590033.db2.gz FYLAETFSDZLXSY-GBESFXJTSA-N 1 0 301.430 3.456 10 0 DGAERO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCCC2CC2)c1 ZINC000539073322 435537987 /nfs/dbraw/zinc/53/79/87/435537987.db2.gz PPNVVMUACDZDIO-CYBMUJFWSA-N 1 0 320.433 3.201 10 0 DGAERO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCOC(C)C ZINC000484296822 435542505 /nfs/dbraw/zinc/54/25/05/435542505.db2.gz RJMADEUQFKKSLN-IBGZPJMESA-N 1 0 319.445 3.052 10 0 DGAERO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000540575217 435608545 /nfs/dbraw/zinc/60/85/45/435608545.db2.gz QBYMQPFBNKFKGM-GUYCJALGSA-N 1 0 311.372 3.219 10 0 DGAERO c1ccc(COc2ccccc2CNCCC[NH+]2CCC2)cc1 ZINC000517959578 435620315 /nfs/dbraw/zinc/62/03/15/435620315.db2.gz DPPQROSPDGFOJM-UHFFFAOYSA-N 1 0 310.441 3.451 10 0 DGAERO c1cnn(-c2cccc(C[N@@H+]3CC[C@@H](c4ccncc4)C3)c2)c1 ZINC000570460767 435622330 /nfs/dbraw/zinc/62/23/30/435622330.db2.gz DFFSDJBTZGNOOI-GOSISDBHSA-N 1 0 304.397 3.257 10 0 DGAERO Brc1ccc([C@@H]([NH2+]CCN2CCC2)C2CC2)cc1 ZINC000540316015 435596180 /nfs/dbraw/zinc/59/61/80/435596180.db2.gz MIPDHGQMKQIHPX-HNNXBMFYSA-N 1 0 309.251 3.196 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1ccccc1CCc1ccccc1 ZINC000540516637 435606048 /nfs/dbraw/zinc/60/60/48/435606048.db2.gz PMPHTEGCFFZIPG-UHFFFAOYSA-N 1 0 324.468 3.496 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CCCCCc1ccc(F)cc1 ZINC000547982114 435658877 /nfs/dbraw/zinc/65/88/77/435658877.db2.gz FZZHNWBXSPLGEC-UHFFFAOYSA-N 1 0 308.441 3.339 10 0 DGAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000548158081 435672474 /nfs/dbraw/zinc/67/24/74/435672474.db2.gz ARGKEYVOEYUNRL-GJZGRUSLSA-N 1 0 311.466 3.388 10 0 DGAERO CC1CC[NH+](CCCNC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000548437352 435691384 /nfs/dbraw/zinc/69/13/84/435691384.db2.gz RAFIIHVUTBYBMZ-UHFFFAOYSA-N 1 0 319.449 3.184 10 0 DGAERO Cc1cc2cc[nH]c2cc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000548737816 435714541 /nfs/dbraw/zinc/71/45/41/435714541.db2.gz OYPJTLQRDNHECQ-UHFFFAOYSA-N 1 0 312.417 3.250 10 0 DGAERO C[N@H+](CCc1ccc(Br)cc1)C[C@H](O)C(C)(C)C ZINC000550681406 435810512 /nfs/dbraw/zinc/81/05/12/435810512.db2.gz ZKPQMZCDXQDCAM-AWEZNQCLSA-N 1 0 314.267 3.330 10 0 DGAERO FC(F)Oc1cc(C[NH2+]Cc2cnc(C3CC3)s2)ccn1 ZINC000551230248 435825517 /nfs/dbraw/zinc/82/55/17/435825517.db2.gz RUSABRVGGGIBIV-UHFFFAOYSA-N 1 0 311.357 3.307 10 0 DGAERO c1ccc(OCCCC[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000552147247 435886541 /nfs/dbraw/zinc/88/65/41/435886541.db2.gz VASZXZBBXQNMGW-RTBURBONSA-N 1 0 301.430 3.489 10 0 DGAERO [NH3+]C1(CNc2ncc(Cl)cc2Br)CCCC1 ZINC000656610372 435983170 /nfs/dbraw/zinc/98/31/70/435983170.db2.gz BFTMHURLMMSICH-UHFFFAOYSA-N 1 0 304.619 3.181 10 0 DGAERO C[C@]1(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1(Cl)Cl ZINC000107527954 300747330 /nfs/dbraw/zinc/74/73/30/300747330.db2.gz ONYZBCKOYZMBCH-TZMCWYRMSA-N 1 0 319.276 3.047 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cncc(Br)c1 ZINC000657891899 436334732 /nfs/dbraw/zinc/33/47/32/436334732.db2.gz ZHQHBWYOXCBYBG-COPLHBTASA-N 1 0 313.239 3.046 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccc(Cl)c1Cl ZINC000658245815 436409924 /nfs/dbraw/zinc/40/99/24/436409924.db2.gz VVWQPJHMZJWOAC-ZJUUUORDSA-N 1 0 301.217 3.122 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(F)c(Br)c1F ZINC000662921305 436401057 /nfs/dbraw/zinc/40/10/57/436401057.db2.gz MEWIJTDHSAZTCU-MRVPVSSYSA-N 1 0 321.165 3.039 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(F)c(Cl)cc1Cl ZINC000658246061 436409178 /nfs/dbraw/zinc/40/91/78/436409178.db2.gz WVDIBVMBDNISOJ-DTWKUNHWSA-N 1 0 319.207 3.261 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccc(Cl)c1Cl ZINC000658245812 436409612 /nfs/dbraw/zinc/40/96/12/436409612.db2.gz VVWQPJHMZJWOAC-NXEZZACHSA-N 1 0 301.217 3.122 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cc2ccccc2s1 ZINC000170957163 312706488 /nfs/dbraw/zinc/70/64/88/312706488.db2.gz UMAGHFPMGKSTAG-OCCSQVGLSA-N 1 0 317.458 3.308 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)N1CCCC12CCC2)c1ccc(F)cc1 ZINC000377267614 313034992 /nfs/dbraw/zinc/03/49/92/313034992.db2.gz PZVVPEDMTWXAMW-MRXNPFEDSA-N 1 0 319.424 3.157 10 0 DGAERO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000533625207 313631894 /nfs/dbraw/zinc/63/18/94/313631894.db2.gz IEBHTSJXROWECM-PSMQTCRGSA-N 1 0 323.436 3.402 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C1(c2cccc(F)c2)CCCC1 ZINC000539415929 313912132 /nfs/dbraw/zinc/91/21/32/313912132.db2.gz IMIMMKIDFZWLGE-UHFFFAOYSA-N 1 0 306.425 3.048 10 0 DGAERO CNC(=O)CCC[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000540192855 313952009 /nfs/dbraw/zinc/95/20/09/313952009.db2.gz PRNBQWHLFOHWBE-SFHVURJKSA-N 1 0 302.462 3.294 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2cccc(C)c2)C1 ZINC000541478931 314016907 /nfs/dbraw/zinc/01/69/07/314016907.db2.gz PYWFALKBQDEJPF-MSOLQXFVSA-N 1 0 300.446 3.185 10 0 DGAERO Cc1ccc([C@H](NC(=O)N(C)CCC[NH+](C)C)C2CC2)cc1 ZINC000541786377 314038380 /nfs/dbraw/zinc/03/83/80/314038380.db2.gz NRENWGIUCKXVIP-KRWDZBQOSA-N 1 0 303.450 3.039 10 0 DGAERO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000542244351 314064037 /nfs/dbraw/zinc/06/40/37/314064037.db2.gz XGAKXQLPLHDDDY-WBVHZDCISA-N 1 0 318.436 3.161 10 0 DGAERO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CC=CCC2)cc1 ZINC000542246862 314064800 /nfs/dbraw/zinc/06/48/00/314064800.db2.gz LJHJIXPVYGXZBQ-OAHLLOKOSA-N 1 0 302.418 3.312 10 0 DGAERO CCOc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000542254783 314065321 /nfs/dbraw/zinc/06/53/21/314065321.db2.gz QSLKHFLKSZLPHJ-OAHLLOKOSA-N 1 0 302.418 3.312 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000542425783 314075127 /nfs/dbraw/zinc/07/51/27/314075127.db2.gz AIWPTSUVLKBZAK-DLBZAZTESA-N 1 0 304.478 3.456 10 0 DGAERO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000542916063 314105655 /nfs/dbraw/zinc/10/56/55/314105655.db2.gz VPNRPIOOFDOUNB-BBRMVZONSA-N 1 0 305.443 3.052 10 0 DGAERO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C[C@@H]1CC=CCC1 ZINC000543172173 314117799 /nfs/dbraw/zinc/11/77/99/314117799.db2.gz HCFMOTDZTNUXRY-GDBMZVCRSA-N 1 0 309.837 3.368 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000543340671 314128274 /nfs/dbraw/zinc/12/82/74/314128274.db2.gz YYRLVTTYBUMMRK-ZWKOTPCHSA-N 1 0 321.509 3.352 10 0 DGAERO C[C@H](CNC(=O)N(C)C[C@@H]1CC=CCC1)[N@@H+]1CCCC[C@H]1C ZINC000543352122 314128914 /nfs/dbraw/zinc/12/89/14/314128914.db2.gz PQQLLPFKCZEPBB-BRWVUGGUSA-N 1 0 307.482 3.247 10 0 DGAERO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000543559126 314141023 /nfs/dbraw/zinc/14/10/23/314141023.db2.gz LUZGKOVPWUIOHK-AWEZNQCLSA-N 1 0 304.390 3.008 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000543591176 314143597 /nfs/dbraw/zinc/14/35/97/314143597.db2.gz FIAWWZRULKGCQM-UOVPBQLFSA-N 1 0 321.486 3.326 10 0 DGAERO CC[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccn(C)n1 ZINC000543637907 314147720 /nfs/dbraw/zinc/14/77/20/314147720.db2.gz ZCLIQDRVCWNJPK-OAHLLOKOSA-N 1 0 307.825 3.331 10 0 DGAERO CCC[NH+](CCC)CCCNC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000544132835 314175593 /nfs/dbraw/zinc/17/55/93/314175593.db2.gz DGLPNMGDOCYGKW-QGZVFWFLSA-N 1 0 309.498 3.496 10 0 DGAERO Cc1cncnc1-c1noc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000545727138 314264648 /nfs/dbraw/zinc/26/46/48/314264648.db2.gz IGKPIJLZAKXYCK-UHFFFAOYSA-N 1 0 321.384 3.098 10 0 DGAERO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000545950357 314278293 /nfs/dbraw/zinc/27/82/93/314278293.db2.gz YEZKOAFREHZOTB-RDJZCZTQSA-N 1 0 317.429 3.457 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000546567068 314311272 /nfs/dbraw/zinc/31/12/72/314311272.db2.gz VCRFIZCVYDMJOU-IAGOWNOFSA-N 1 0 315.461 3.130 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2nc3ccsc3s2)CC1 ZINC000546575434 314311974 /nfs/dbraw/zinc/31/19/74/314311974.db2.gz CETURTXYTCUKOJ-UHFFFAOYSA-N 1 0 322.459 3.131 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000547361520 314359683 /nfs/dbraw/zinc/35/96/83/314359683.db2.gz KNBCVFORLYBVAC-QFBILLFUSA-N 1 0 313.441 3.210 10 0 DGAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC1CC1 ZINC000547820126 314398975 /nfs/dbraw/zinc/39/89/75/314398975.db2.gz JYJCSXDQOKQEAF-UHFFFAOYSA-N 1 0 315.866 3.413 10 0 DGAERO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000548159966 314427743 /nfs/dbraw/zinc/42/77/43/314427743.db2.gz AEQNKFXURDFBMH-UKRRQHHQSA-N 1 0 318.417 3.302 10 0 DGAERO CC[C@@H]([NH2+]CCc1cc(C)no1)c1ccc2c(c1)OCCO2 ZINC000552336795 314612257 /nfs/dbraw/zinc/61/22/57/314612257.db2.gz JWMBAJLTBSGCLI-OAHLLOKOSA-N 1 0 302.374 3.038 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000552891647 314626219 /nfs/dbraw/zinc/62/62/19/314626219.db2.gz GCFCCKYICACCMI-RHSMWYFYSA-N 1 0 324.896 3.426 10 0 DGAERO c1nc2n(c1C[NH2+]C1CC(OCc3ccccc3)C1)CCCC2 ZINC000560268090 314909829 /nfs/dbraw/zinc/90/98/29/314909829.db2.gz JOYCDOGFUINBTP-UHFFFAOYSA-N 1 0 311.429 3.057 10 0 DGAERO COC[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)C1CCCC1 ZINC000562488360 315023431 /nfs/dbraw/zinc/02/34/31/315023431.db2.gz WSLOZFGFMGLUHM-HOTGVXAUSA-N 1 0 305.418 3.011 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cncc(Br)c1 ZINC000563550342 315123683 /nfs/dbraw/zinc/12/36/83/315123683.db2.gz PTAGDIFDXFRMDL-WDMOLILDSA-N 1 0 313.239 3.046 10 0 DGAERO CC(C)[C@H]1CC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000563840300 315141160 /nfs/dbraw/zinc/14/11/60/315141160.db2.gz FOKFVPVVJSILPE-UKRRQHHQSA-N 1 0 301.352 3.339 10 0 DGAERO CC1=CCN(CC[NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000565338655 315253607 /nfs/dbraw/zinc/25/36/07/315253607.db2.gz SBDKPZYINWILOF-CYBMUJFWSA-N 1 0 324.266 3.147 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2coc3ccc(F)cc23)C1 ZINC000566011194 315304112 /nfs/dbraw/zinc/30/41/12/315304112.db2.gz MJSNFEKLWDQJGQ-ZDUSSCGKSA-N 1 0 318.392 3.376 10 0 DGAERO Cc1cc(NC(=O)N(C)CCC[NH+](C)C)c(Cl)cc1F ZINC000568429727 315511305 /nfs/dbraw/zinc/51/13/05/315511305.db2.gz MHDMUGHIZHFLRD-UHFFFAOYSA-N 1 0 301.793 3.203 10 0 DGAERO c1ccc2c(c1)oc1c2ncnc1NCC1CC[NH+](C2CC2)CC1 ZINC000568588560 315521793 /nfs/dbraw/zinc/52/17/93/315521793.db2.gz ZOGCARDTMYJSHT-UHFFFAOYSA-N 1 0 322.412 3.084 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cncc(Br)c1 ZINC000570292238 315639112 /nfs/dbraw/zinc/63/91/12/315639112.db2.gz ILDDHNXYHHPHSK-GXFFZTMASA-N 1 0 313.239 3.452 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]CCOCC1CCC1)CCCO2 ZINC000571014840 315690595 /nfs/dbraw/zinc/69/05/95/315690595.db2.gz WNWCUYTWYBNUCA-QGZVFWFLSA-N 1 0 305.418 3.315 10 0 DGAERO COc1ccc(C)cc1C1(C[NH2+]CC2(C)CC2)CCOCC1 ZINC000575928822 316076472 /nfs/dbraw/zinc/07/64/72/316076472.db2.gz QDVVFAZXMSRDMR-UHFFFAOYSA-N 1 0 303.446 3.442 10 0 DGAERO c1cc(N2CCCC2)ncc1Nc1nc(C2CC2)nc2c1CCC2 ZINC000577135619 316206068 /nfs/dbraw/zinc/20/60/68/316206068.db2.gz YVGCYARVQYGNCG-UHFFFAOYSA-N 1 0 321.428 3.003 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000179996019 323219142 /nfs/dbraw/zinc/21/91/42/323219142.db2.gz JMUFOMUNEHERCQ-OAHLLOKOSA-N 1 0 322.497 3.259 10 0 DGAERO Cc1c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1N(C)C ZINC000180131720 323222205 /nfs/dbraw/zinc/22/22/05/323222205.db2.gz PLZRKBMLLYGHAD-HIFRSBDPSA-N 1 0 318.465 3.007 10 0 DGAERO CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180170485 323222930 /nfs/dbraw/zinc/22/29/30/323222930.db2.gz MHCCGLVSMUYEPG-IEBWSBKVSA-N 1 0 324.424 3.261 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180488825 323230388 /nfs/dbraw/zinc/23/03/88/323230388.db2.gz YKYKUWLEQODWIK-QFBILLFUSA-N 1 0 320.477 3.093 10 0 DGAERO CCC[C@H]([NH2+][C@@H]1CCc2nc(CC)nn2C1)C1CCCCC1 ZINC000180620515 323233993 /nfs/dbraw/zinc/23/39/93/323233993.db2.gz FAPSSKFHNDCITP-CVEARBPZSA-N 1 0 304.482 3.494 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000180670247 323235465 /nfs/dbraw/zinc/23/54/65/323235465.db2.gz MNMBDSQBHMDVKJ-RHSMWYFYSA-N 1 0 319.449 3.198 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000181786027 323269593 /nfs/dbraw/zinc/26/95/93/323269593.db2.gz PBOJTTKKTREHII-HBMCJLEFSA-N 1 0 324.468 3.279 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000182047434 323281291 /nfs/dbraw/zinc/28/12/91/323281291.db2.gz FNLUZIADTFJBES-SJKOYZFVSA-N 1 0 301.434 3.476 10 0 DGAERO C[C@H](C[NH2+]C[C@H](O)COc1ccc(F)cc1)Cc1ccccc1 ZINC000182056399 323282027 /nfs/dbraw/zinc/28/20/27/323282027.db2.gz BMESXMQBRWFXEW-YJBOKZPZSA-N 1 0 317.404 3.034 10 0 DGAERO CCC1(CC)[C@H]([NH2+]CCCc2c(C)nn(C)c2C)C[C@@H]1OC ZINC000182110100 323283433 /nfs/dbraw/zinc/28/34/33/323283433.db2.gz PFPNQMSKJGQLFZ-SJORKVTESA-N 1 0 307.482 3.153 10 0 DGAERO COc1c(C)cnc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1C ZINC000182283665 323291301 /nfs/dbraw/zinc/29/13/01/323291301.db2.gz SLZQKFFSYKXCBG-CYBMUJFWSA-N 1 0 314.385 3.287 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@@H](C)Cn2ccnc2C)cc1 ZINC000182461875 323299719 /nfs/dbraw/zinc/29/97/19/323299719.db2.gz LDIBKYLMGJESAF-HUUCEWRRSA-N 1 0 301.434 3.230 10 0 DGAERO O=C(CC1CCC(C(F)(F)F)CC1)NCC[NH+]1CCCCC1 ZINC000182990155 323318488 /nfs/dbraw/zinc/31/84/88/323318488.db2.gz ZJADRQUNFPUSTB-UHFFFAOYSA-N 1 0 320.399 3.347 10 0 DGAERO Cc1ccc(CCC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000183109908 323325872 /nfs/dbraw/zinc/32/58/72/323325872.db2.gz MZOJVBAZIRVWKX-QGZVFWFLSA-N 1 0 302.462 3.308 10 0 DGAERO CN(C(=O)CC1CCC(C(F)(F)F)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000183138711 323327782 /nfs/dbraw/zinc/32/77/82/323327782.db2.gz DOKHMDBGQAMYKM-RUXDESIVSA-N 1 0 320.399 3.298 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000183474825 323338887 /nfs/dbraw/zinc/33/88/87/323338887.db2.gz SNNSBIKATZEIMU-SFHVURJKSA-N 1 0 301.409 3.386 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)ccc1F ZINC000183488965 323340008 /nfs/dbraw/zinc/34/00/08/323340008.db2.gz MNEFQZKZZFGKPH-LBPRGKRZSA-N 1 0 319.424 3.468 10 0 DGAERO C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]2CCCC[C@@H]21 ZINC000184008555 323352701 /nfs/dbraw/zinc/35/27/01/323352701.db2.gz UYBKCUNPANAFGI-QEFFHFBBSA-N 1 0 321.509 3.327 10 0 DGAERO C[C@H]([NH2+]CCCn1ccnn1)c1cccc(-c2ccncc2)c1 ZINC000184269712 323360773 /nfs/dbraw/zinc/36/07/73/323360773.db2.gz KERFCMXQPFRFMD-HNNXBMFYSA-N 1 0 307.401 3.081 10 0 DGAERO CC[C@@H]([NH2+]CCCn1ccnn1)c1ccccc1OC(F)F ZINC000184267442 323360941 /nfs/dbraw/zinc/36/09/41/323360941.db2.gz VEULXRNVPAQLBN-CYBMUJFWSA-N 1 0 310.348 3.011 10 0 DGAERO CC[C@H]([NH2+]CCCn1ccnn1)c1ccc(OC(F)F)cc1 ZINC000184272586 323361140 /nfs/dbraw/zinc/36/11/40/323361140.db2.gz CKGQZWHTDUUNCZ-AWEZNQCLSA-N 1 0 310.348 3.011 10 0 DGAERO CC(C)[N@H+](C)CC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000184325650 323362181 /nfs/dbraw/zinc/36/21/81/323362181.db2.gz ACZKJHXSSNAJEP-CYBMUJFWSA-N 1 0 324.293 3.025 10 0 DGAERO CCC[C@H](C(=O)Nc1nc(Cc2ccccc2)cs1)[NH+](C)C ZINC000184491293 323366557 /nfs/dbraw/zinc/36/65/57/323366557.db2.gz SHVUPZNMYSJQLT-OAHLLOKOSA-N 1 0 317.458 3.403 10 0 DGAERO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCC2CCCC2)cc1 ZINC000184920789 323377868 /nfs/dbraw/zinc/37/78/68/323377868.db2.gz IJPCCUUGKPFWJB-OAHLLOKOSA-N 1 0 309.475 3.327 10 0 DGAERO CC[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1nccs1 ZINC000185054862 323379732 /nfs/dbraw/zinc/37/97/32/323379732.db2.gz KEERSRQNZJJJBI-CYBMUJFWSA-N 1 0 320.414 3.382 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1csc(Br)c1 ZINC000185339731 323387884 /nfs/dbraw/zinc/38/78/84/323387884.db2.gz QOVZUPIICUCBBA-LLVKDONJSA-N 1 0 306.269 3.349 10 0 DGAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc1C ZINC000185593454 323391219 /nfs/dbraw/zinc/39/12/19/323391219.db2.gz VNYVZCXBEXHPPO-MAUKXSAKSA-N 1 0 324.424 3.396 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000185827438 323396825 /nfs/dbraw/zinc/39/68/25/323396825.db2.gz XWCKVWFCBNLFBD-KRWDZBQOSA-N 1 0 305.462 3.308 10 0 DGAERO C[C@@]1(C(N)=O)CCCCN1Cc1ccc(Cl)cc1Cl ZINC000185908775 323399175 /nfs/dbraw/zinc/39/91/75/323399175.db2.gz PTQWUWNHXZTMAQ-AWEZNQCLSA-N 1 0 301.217 3.223 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000187660901 323417659 /nfs/dbraw/zinc/41/76/59/323417659.db2.gz UDHRPXQLSJHNFX-WMLDXEAASA-N 1 0 310.869 3.349 10 0 DGAERO COC[C@H](C)C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000188160391 323424061 /nfs/dbraw/zinc/42/40/61/323424061.db2.gz JRYRFJJAXYPZNT-LLVKDONJSA-N 1 0 320.355 3.130 10 0 DGAERO Clc1cc(C[NH2+]CCCN2CCC2)ccc1Br ZINC000580784633 324039250 /nfs/dbraw/zinc/03/92/50/324039250.db2.gz YHSHSUFTNSYQDJ-UHFFFAOYSA-N 1 0 317.658 3.288 10 0 DGAERO Fc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)[nH]2)cc1 ZINC000581083959 324072852 /nfs/dbraw/zinc/07/28/52/324072852.db2.gz QJQVTYDMAZXVFQ-HUUCEWRRSA-N 1 0 300.381 3.279 10 0 DGAERO c1cnc(N[C@H]2CC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)nc1 ZINC000581132932 324078932 /nfs/dbraw/zinc/07/89/32/324078932.db2.gz SPAVTXKXLKZDBO-SFHVURJKSA-N 1 0 308.429 3.431 10 0 DGAERO c1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)[nH]nc1-c1ccccc1 ZINC000582486093 324236200 /nfs/dbraw/zinc/23/62/00/324236200.db2.gz FFIBVEUYCMFJFH-QFBILLFUSA-N 1 0 311.429 3.468 10 0 DGAERO C[C@@H]([NH2+]CCOCC1CCC1)c1ccc2c(c1)OCCCO2 ZINC000582573736 324247178 /nfs/dbraw/zinc/24/71/78/324247178.db2.gz TXANQUBGLBIZJS-CQSZACIVSA-N 1 0 305.418 3.315 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000583373400 324345616 /nfs/dbraw/zinc/34/56/16/324345616.db2.gz XYDUFDUJZFQSSM-OFQRWUPVSA-N 1 0 322.399 3.059 10 0 DGAERO CCOC(C[NH2+][C@@H](c1ccc(OC)c(OC)c1)C1CC1)OCC ZINC000584595372 337373975 /nfs/dbraw/zinc/37/39/75/337373975.db2.gz IPLXBMSGWPXOQW-GOSISDBHSA-N 1 0 323.433 3.144 10 0 DGAERO C[NH2+]CCc1cc(OC)ccc1[C@H](O)c1ccc(Cl)cc1 ZINC000584595928 337374082 /nfs/dbraw/zinc/37/40/82/337374082.db2.gz BAEDAJQRRJTLRT-QGZVFWFLSA-N 1 0 305.805 3.192 10 0 DGAERO Nc1ccc(N2CCC(c3cc4ccccc4[nH]c3=O)CC2)nc1 ZINC000584621694 337374961 /nfs/dbraw/zinc/37/49/61/337374961.db2.gz CDQSCBQPUDPKRG-UHFFFAOYSA-N 1 0 320.396 3.302 10 0 DGAERO COc1ccc2nc(C)cc([C@](C)(O)CCC[NH+](C)C)c2c1 ZINC000584637526 337379507 /nfs/dbraw/zinc/37/95/07/337379507.db2.gz WYTORFSZVNFLCE-GOSISDBHSA-N 1 0 302.418 3.101 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cncc(Br)c1 ZINC000570292223 500650391 /nfs/dbraw/zinc/65/03/91/500650391.db2.gz ILDDHNXYHHPHSK-GWCFXTLKSA-N 1 0 313.239 3.452 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCCCOC1CCCCC1)C1CCCC1 ZINC000184641381 533822544 /nfs/dbraw/zinc/82/25/44/533822544.db2.gz RKEORYFPZXELDP-HNNXBMFYSA-N 1 0 310.482 3.010 10 0 DGAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CCCCC1 ZINC000309863154 534026905 /nfs/dbraw/zinc/02/69/05/534026905.db2.gz DVCUXOLWIOMCIW-OAHLLOKOSA-N 1 0 303.450 3.139 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)o1 ZINC000328628236 534063745 /nfs/dbraw/zinc/06/37/45/534063745.db2.gz HAOIKEYORBFLDL-NSHDSACASA-N 1 0 313.323 3.156 10 0 DGAERO Cc1cc2cc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2[nH]1 ZINC000176135620 534097417 /nfs/dbraw/zinc/09/74/17/534097417.db2.gz LDDRIBUDQBFGPL-CZUORRHYSA-N 1 0 314.433 3.423 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000444144441 534183304 /nfs/dbraw/zinc/18/33/04/534183304.db2.gz LBKHQIXGCIUJDY-FGTMMUONSA-N 1 0 321.509 3.473 10 0 DGAERO CC(C)c1nc(NCC2CC[NH2+]CC2)cc(-c2ccccn2)n1 ZINC000070456069 519865899 /nfs/dbraw/zinc/86/58/99/519865899.db2.gz UJRUQLFIUOBKGK-UHFFFAOYSA-N 1 0 311.433 3.074 10 0 DGAERO CCC[NH2+]CCNC(=O)c1cccc(OC2CCCCC2)c1 ZINC000154432734 519917283 /nfs/dbraw/zinc/91/72/83/519917283.db2.gz FJMGDABTRQSHCV-UHFFFAOYSA-N 1 0 304.434 3.128 10 0 DGAERO CCCCCC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000157971415 520078663 /nfs/dbraw/zinc/07/86/63/520078663.db2.gz MHMBGYXRRUMTJG-UHFFFAOYSA-N 1 0 306.454 3.035 10 0 DGAERO CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732260 520683616 /nfs/dbraw/zinc/68/36/16/520683616.db2.gz IGUMYGBCVLWJLG-DFGXFYAUSA-N 1 0 314.477 3.250 10 0 DGAERO CCc1ccccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000162147678 521806625 /nfs/dbraw/zinc/80/66/25/521806625.db2.gz ZKBQWQQUGIIOGT-UHFFFAOYSA-N 1 0 300.446 3.197 10 0 DGAERO CCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)n1 ZINC000070456216 523822011 /nfs/dbraw/zinc/82/20/11/523822011.db2.gz LTPMRMOXHOLRAQ-ZDUSSCGKSA-N 1 0 314.408 3.257 10 0 DGAERO Cc1ccc(CN2CCCC[C@H]2[C@@H](C)[NH3+])cc1Br ZINC000157036806 524446683 /nfs/dbraw/zinc/44/66/83/524446683.db2.gz FKWVMGCKWLCKIV-DOMZBBRYSA-N 1 0 311.267 3.459 10 0 DGAERO COc1ccccc1[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000157168890 524798749 /nfs/dbraw/zinc/79/87/49/524798749.db2.gz XHVPFWUMDBKSLQ-TXPKVOOTSA-N 1 0 324.424 3.028 10 0 DGAERO Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1cn(C)c2cc(C)ccc12 ZINC000188695700 534842389 /nfs/dbraw/zinc/84/23/89/534842389.db2.gz LDCRDGIADKXFFH-CQSZACIVSA-N 1 0 310.445 3.422 10 0 DGAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccnc1N(C)C ZINC000154739753 526173369 /nfs/dbraw/zinc/17/33/69/526173369.db2.gz YNXXXOMSIIWLRD-KRWDZBQOSA-N 1 0 311.429 3.460 10 0 DGAERO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc2ccccc2nc1Cl ZINC000249627048 526316885 /nfs/dbraw/zinc/31/68/85/526316885.db2.gz UGEUJUOFUOFADD-RFLUGMABSA-N 1 0 314.816 3.089 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000154839068 527121557 /nfs/dbraw/zinc/12/15/57/527121557.db2.gz BCLDCSTUIXQQDQ-INIZCTEOSA-N 1 0 324.509 3.352 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000432583615 527122419 /nfs/dbraw/zinc/12/24/19/527122419.db2.gz HSTFNZYNRQFXDE-YJBOKZPZSA-N 1 0 318.461 3.191 10 0 DGAERO CC(=O)c1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000294912920 527276915 /nfs/dbraw/zinc/27/69/15/527276915.db2.gz HXOKLSZHWSYYDO-INIZCTEOSA-N 1 0 303.402 3.053 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000415453689 527308855 /nfs/dbraw/zinc/30/88/55/527308855.db2.gz PNKJXFQWHUXMRC-XHDPSFHLSA-N 1 0 323.824 3.182 10 0 DGAERO O=c1cc(C[NH+]2CCCCC2)nc(-c2cccc(Cl)c2)[nH]1 ZINC000073637693 527476662 /nfs/dbraw/zinc/47/66/62/527476662.db2.gz HGBYBMBPRAQIIX-UHFFFAOYSA-N 1 0 303.793 3.076 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296810902 527525999 /nfs/dbraw/zinc/52/59/99/527525999.db2.gz CRSOPKFKORHXDF-BUHFOSPRSA-N 1 0 316.420 3.362 10 0 DGAERO CC(C)(C)CC[NH+]1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435133413 527664604 /nfs/dbraw/zinc/66/46/04/527664604.db2.gz RDTKYCGURSDZKS-UHFFFAOYSA-N 1 0 316.449 3.224 10 0 DGAERO CC(C)(C)C[N@H+](CCCO)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000173707152 527682660 /nfs/dbraw/zinc/68/26/60/527682660.db2.gz UENPRXZLUQPPBX-UHFFFAOYSA-N 1 0 319.424 3.242 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000328266590 527811383 /nfs/dbraw/zinc/81/13/83/527811383.db2.gz UJOGYAHWIPCZGA-GFCCVEGCSA-N 1 0 302.187 3.245 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](COC)C2CCOCC2)C1(CC)CC ZINC000188113480 527843823 /nfs/dbraw/zinc/84/38/23/527843823.db2.gz GWKUSXUYJPTGAQ-GVDBMIGSSA-N 1 0 313.482 3.001 10 0 DGAERO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178381780 527965973 /nfs/dbraw/zinc/96/59/73/527965973.db2.gz LCLUEZZCYJSSKR-CYBMUJFWSA-N 1 0 304.203 3.085 10 0 DGAERO CC[NH+](CC)CC1CCN(c2cncc(OCC(C)C)n2)CC1 ZINC000444423931 528095526 /nfs/dbraw/zinc/09/55/26/528095526.db2.gz LIQNOFPUQAVBLX-UHFFFAOYSA-N 1 0 320.481 3.070 10 0 DGAERO CC1CCN(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000309894733 528220053 /nfs/dbraw/zinc/22/00/53/528220053.db2.gz GDLQHTNNYMINAL-SFHVURJKSA-N 1 0 315.461 3.045 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCC12CCC2)c1ccccc1 ZINC000435581466 528271923 /nfs/dbraw/zinc/27/19/23/528271923.db2.gz YPCWWKDOQLEIJJ-QGZVFWFLSA-N 1 0 315.461 3.408 10 0 DGAERO CCCc1nnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000302188224 528778124 /nfs/dbraw/zinc/77/81/24/528778124.db2.gz XDLXFKJYXULYIL-HIFRSBDPSA-N 1 0 316.474 3.423 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C/C=C/c1ccc(C)cc1 ZINC000176685749 529065359 /nfs/dbraw/zinc/06/53/59/529065359.db2.gz WMDVPOLDOXDVMJ-SUQGKYDKSA-N 1 0 300.446 3.341 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C/C=C/c1ccc(C)cc1 ZINC000176685766 529095047 /nfs/dbraw/zinc/09/50/47/529095047.db2.gz WMDVPOLDOXDVMJ-FZMUQLTDSA-N 1 0 300.446 3.341 10 0 DGAERO CC/C=C\CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000458961073 535248826 /nfs/dbraw/zinc/24/88/26/535248826.db2.gz CQDMQQWQLZAGRB-GPCFVJJQSA-N 1 0 307.482 3.250 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](C)OC)[C@H]1Sc1ccccc1 ZINC000459494301 535513051 /nfs/dbraw/zinc/51/30/51/535513051.db2.gz JGIGVQRMHPICJB-XSIBGMEISA-N 1 0 309.475 3.338 10 0 DGAERO CCO[C@H](CC[NH2+][C@@H](C)C1(OC)CCOCC1)C1CCCC1 ZINC000453127378 535611987 /nfs/dbraw/zinc/61/19/87/535611987.db2.gz IYOJKFRQDXKGBT-DOTOQJQBSA-N 1 0 313.482 3.146 10 0 DGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000469981687 535819749 /nfs/dbraw/zinc/81/97/49/535819749.db2.gz LGHOAGNJRBKXQH-NCOADZHNSA-N 1 0 306.494 3.439 10 0 DGAERO CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000449299047 535918756 /nfs/dbraw/zinc/91/87/56/535918756.db2.gz KHCCVSADZMDVBI-CTYIDZIISA-N 1 0 304.825 3.296 10 0 DGAERO CO[C@@H]1CC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C[C@H]1C ZINC000451577667 536685772 /nfs/dbraw/zinc/68/57/72/536685772.db2.gz VXADSPKQNWHJSJ-SJKOYZFVSA-N 1 0 300.402 3.016 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1F ZINC000087134293 545802213 /nfs/dbraw/zinc/80/22/13/545802213.db2.gz RGPBPYQSXPBYHA-ZFWWWQNUSA-N 1 0 321.440 3.226 10 0 DGAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000088276815 545808243 /nfs/dbraw/zinc/80/82/43/545808243.db2.gz JLICJKNNCRWOEY-XQQFMLRXSA-N 1 0 308.388 3.235 10 0 DGAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089456464 545814890 /nfs/dbraw/zinc/81/48/90/545814890.db2.gz BMEWECIVIIMSBJ-GOEBONIOSA-N 1 0 308.853 3.452 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455987 545815055 /nfs/dbraw/zinc/81/50/55/545815055.db2.gz QFTNTKDLPBOBFC-GWCFXTLKSA-N 1 0 315.244 3.327 10 0 DGAERO Cc1nc(-c2cccc(NC(=O)C[C@H]3CC[NH2+]C3)c2)cs1 ZINC000089742359 545819552 /nfs/dbraw/zinc/81/95/52/545819552.db2.gz OEJDBZXNAUMEBM-GFCCVEGCSA-N 1 0 301.415 3.057 10 0 DGAERO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000089746514 545820062 /nfs/dbraw/zinc/82/00/62/545820062.db2.gz CPBZUHDMRUMATD-NXEZZACHSA-N 1 0 301.217 3.170 10 0 DGAERO Cc1ncc([C@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)s1 ZINC000090403785 545827295 /nfs/dbraw/zinc/82/72/95/545827295.db2.gz LDZOAZDERXLEPC-XJKSGUPXSA-N 1 0 303.475 3.275 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000091548038 545836928 /nfs/dbraw/zinc/83/69/28/545836928.db2.gz MFKAKZAJDFJXQZ-ZJUUUORDSA-N 1 0 318.364 3.407 10 0 DGAERO C[C@@H](C[NH2+][C@H](c1cccs1)C1CCCC1)N1CCOCC1 ZINC000093371648 545856400 /nfs/dbraw/zinc/85/64/00/545856400.db2.gz GYQHITLMKYOAJQ-YOEHRIQHSA-N 1 0 308.491 3.290 10 0 DGAERO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccc(Cl)c(Cl)c1 ZINC000094295004 545859589 /nfs/dbraw/zinc/85/95/89/545859589.db2.gz CVDXEOCMXNXHEB-SECBINFHSA-N 1 0 301.217 3.442 10 0 DGAERO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1Cl ZINC000111246015 545873128 /nfs/dbraw/zinc/87/31/28/545873128.db2.gz HULGGYBLJFRNRA-RNCFNFMXSA-N 1 0 320.742 3.059 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(C)(C)CO ZINC000122011147 545900855 /nfs/dbraw/zinc/90/08/55/545900855.db2.gz JQJLITCOSJXXLG-GFCCVEGCSA-N 1 0 301.377 3.217 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCC(C)CC2)cc1F ZINC000126617375 545922993 /nfs/dbraw/zinc/92/29/93/545922993.db2.gz AXLXIWXSEILCOO-LSDHHAIUSA-N 1 0 306.425 3.432 10 0 DGAERO Fc1cc(C[NH2+]CC[C@H]2CCCO2)ccc1Br ZINC000127390866 545929289 /nfs/dbraw/zinc/92/92/89/545929289.db2.gz VEXHKQQKIFMZOY-LLVKDONJSA-N 1 0 302.187 3.247 10 0 DGAERO Brc1cccc(CN(Cc2cncnc2)C2CC2)c1 ZINC000130112663 545947371 /nfs/dbraw/zinc/94/73/71/545947371.db2.gz ZQPYRWLDJNJQFL-UHFFFAOYSA-N 1 0 318.218 3.404 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000149750658 545988513 /nfs/dbraw/zinc/98/85/13/545988513.db2.gz HOTVWSQMSAUAIY-NWDGAFQWSA-N 1 0 318.642 3.496 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCc2occc21 ZINC000151686833 545995091 /nfs/dbraw/zinc/99/50/91/545995091.db2.gz FZDKZDZUCUDEJK-ZBFHGGJFSA-N 1 0 319.449 3.077 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178562444 546131085 /nfs/dbraw/zinc/13/10/85/546131085.db2.gz JHVRNMIICKLCDM-CZUORRHYSA-N 1 0 324.465 3.063 10 0 DGAERO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)ccn1 ZINC000179816161 546138612 /nfs/dbraw/zinc/13/86/12/546138612.db2.gz DOQGXWKPPWFJNI-HNNXBMFYSA-N 1 0 312.417 3.032 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2c[nH]nc2C)CC1 ZINC000181152098 546154566 /nfs/dbraw/zinc/15/45/66/546154566.db2.gz XVBJYWAUTMEIMY-CQSZACIVSA-N 1 0 313.449 3.033 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2)cc1F ZINC000181369446 546156800 /nfs/dbraw/zinc/15/68/00/546156800.db2.gz VVPULBZGNNZVGJ-ZDUSSCGKSA-N 1 0 318.367 3.240 10 0 DGAERO CCNC(=O)CC[NH2+][C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000181739839 546160147 /nfs/dbraw/zinc/16/01/47/546160147.db2.gz VFJXZZKSWLYVAH-OAHLLOKOSA-N 1 0 306.450 3.288 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(-n2cncn2)cc1 ZINC000182112335 546163086 /nfs/dbraw/zinc/16/30/86/546163086.db2.gz KQXJNBVXQYSTDL-GFCCVEGCSA-N 1 0 313.792 3.167 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[NH2+][C@@H](C)[C@@H]2CCCO2)c(C)c1 ZINC000183145576 546171698 /nfs/dbraw/zinc/17/16/98/546171698.db2.gz CQEHQXPBTFUHCX-IRXDYDNUSA-N 1 0 318.461 3.488 10 0 DGAERO COc1ccccc1C[N@H+](CCO)Cc1cccc2cnccc21 ZINC000183116398 546172001 /nfs/dbraw/zinc/17/20/01/546172001.db2.gz PFHAQHMUVBSQEK-UHFFFAOYSA-N 1 0 322.408 3.238 10 0 DGAERO Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CCCn1ccnn1 ZINC000184265452 546181340 /nfs/dbraw/zinc/18/13/40/546181340.db2.gz ZNHAZLNOSPNNKG-ZDUSSCGKSA-N 1 0 311.216 3.252 10 0 DGAERO C[NH+](C)C1CCN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC1 ZINC000184659278 546184317 /nfs/dbraw/zinc/18/43/17/546184317.db2.gz HTOHGZUOMYGVKK-LBPRGKRZSA-N 1 0 323.403 3.089 10 0 DGAERO Cn1nc(CC[NH2+]Cc2cccc3cnccc32)c2ccccc21 ZINC000187388179 546200322 /nfs/dbraw/zinc/20/03/22/546200322.db2.gz KBJVZJVNOXENIK-UHFFFAOYSA-N 1 0 316.408 3.454 10 0 DGAERO Cc1cccc(C[C@H](CO)[NH2+]Cc2cccc3cnccc32)c1 ZINC000189018080 546209398 /nfs/dbraw/zinc/20/93/98/546209398.db2.gz UIVBHQNNJFWHNV-LJQANCHMSA-N 1 0 306.409 3.236 10 0 DGAERO Cc1c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1C ZINC000195225771 546252982 /nfs/dbraw/zinc/25/29/82/546252982.db2.gz ATIOZWXYRSPOBV-QGZVFWFLSA-N 1 0 317.477 3.062 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Br)cs1 ZINC000226393496 546268177 /nfs/dbraw/zinc/26/81/77/546268177.db2.gz VWXVKZUNIASEIZ-MWLCHTKSSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cc(Br)cs1 ZINC000226393624 546268205 /nfs/dbraw/zinc/26/82/05/546268205.db2.gz OLIBZEYSYFLTLV-JMJZKYOTSA-N 1 0 304.253 3.465 10 0 DGAERO OC1CCC(C[NH2+]Cc2sccc2Br)CC1 ZINC000227628410 546268857 /nfs/dbraw/zinc/26/88/57/546268857.db2.gz MKNUIECMVFXFFY-UHFFFAOYSA-N 1 0 304.253 3.151 10 0 DGAERO COC1CC([NH2+][C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000230675481 546275098 /nfs/dbraw/zinc/27/50/98/546275098.db2.gz STXOALYHHQGWGC-GCZXYKMCSA-N 1 0 312.207 3.040 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000232832954 546276717 /nfs/dbraw/zinc/27/67/17/546276717.db2.gz FEHSOGRDCISTDT-GFCCVEGCSA-N 1 0 311.223 3.166 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245638053 546298258 /nfs/dbraw/zinc/29/82/58/546298258.db2.gz CRCZUELFXOYKBN-DZJNRPSUSA-N 1 0 300.446 3.059 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)CC2 ZINC000246531652 546304991 /nfs/dbraw/zinc/30/49/91/546304991.db2.gz VJLGQNOYUCTOEV-ZJIFWQFVSA-N 1 0 304.482 3.206 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000250204631 546328159 /nfs/dbraw/zinc/32/81/59/546328159.db2.gz UGIQILSEWZWESB-XEZPLFJOSA-N 1 0 306.837 3.379 10 0 DGAERO CC[C@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251574006 546329927 /nfs/dbraw/zinc/32/99/27/546329927.db2.gz BZKUBSFLLSUNSU-SMDDNHRTSA-N 1 0 317.260 3.431 10 0 DGAERO CC(C)(C)c1nc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000252415494 546330750 /nfs/dbraw/zinc/33/07/50/546330750.db2.gz KZKUWHBZYVWBFI-UKRRQHHQSA-N 1 0 307.507 3.405 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cc3ccccc3s2)C1 ZINC000252818599 546331964 /nfs/dbraw/zinc/33/19/64/546331964.db2.gz ZTZFJLMYAXENBF-UKRRQHHQSA-N 1 0 304.459 3.273 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCCN(C/C(C)=C\c3ccccc3)[C@H]2C1 ZINC000255890701 546336908 /nfs/dbraw/zinc/33/69/08/546336908.db2.gz GMHZNARFTBUBRH-UKTFMXLCSA-N 1 0 301.430 3.358 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCCN(C/C(C)=C\c3ccccc3)[C@@H]2C1 ZINC000255890700 546336932 /nfs/dbraw/zinc/33/69/32/546336932.db2.gz GMHZNARFTBUBRH-KMOIZMTGSA-N 1 0 301.430 3.358 10 0 DGAERO Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261742847 546338445 /nfs/dbraw/zinc/33/84/45/546338445.db2.gz LXWDJYDPBHUKDG-NVXWUHKLSA-N 1 0 302.462 3.106 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000306024666 546448985 /nfs/dbraw/zinc/44/89/85/546448985.db2.gz MMTAHGXZNHOOBH-UMVBOHGHSA-N 1 0 310.235 3.330 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Br)C(C)(C)O ZINC000309739732 546450893 /nfs/dbraw/zinc/45/08/93/546450893.db2.gz DAMACRWZSWHSLS-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CSC1 ZINC000309582754 546451268 /nfs/dbraw/zinc/45/12/68/546451268.db2.gz QVURBPKVGMPUCB-MRVPVSSYSA-N 1 0 304.228 3.224 10 0 DGAERO COCC1(C[NH2+]CCc2cccc(Br)c2)CCC1 ZINC000313769701 546454058 /nfs/dbraw/zinc/45/40/58/546454058.db2.gz NQAOQLZAKUKDQZ-UHFFFAOYSA-N 1 0 312.251 3.398 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000324289243 546478269 /nfs/dbraw/zinc/47/82/69/546478269.db2.gz RKQIPSFXSIAXRA-RISCZKNCSA-N 1 0 314.267 3.377 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000324289241 546478475 /nfs/dbraw/zinc/47/84/75/546478475.db2.gz RKQIPSFXSIAXRA-FZMZJTMJSA-N 1 0 314.267 3.377 10 0 DGAERO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc4cc[nH]c4c3)n1)OC2 ZINC000329588509 546487507 /nfs/dbraw/zinc/48/75/07/546487507.db2.gz NAEMKOHOXUJPRA-CRAIPNDOSA-N 1 0 324.384 3.144 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000333791387 546511722 /nfs/dbraw/zinc/51/17/22/546511722.db2.gz MLVXPSXNLATRFO-ZCDTZLGTSA-N 1 0 321.852 3.107 10 0 DGAERO [NH3+]C1(CC(=O)Nc2ccccc2OCc2ccccc2)CCC1 ZINC000381004324 546737209 /nfs/dbraw/zinc/73/72/09/546737209.db2.gz PWOBSDAHVGCCRX-UHFFFAOYSA-N 1 0 310.397 3.476 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccccc1OCc1ccccc1 ZINC000390755159 546755487 /nfs/dbraw/zinc/75/54/87/546755487.db2.gz VKBULUIZQUROJB-MRXNPFEDSA-N 1 0 310.397 3.204 10 0 DGAERO C[C@H]1[NH2+]CCC[C@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000395261935 546761706 /nfs/dbraw/zinc/76/17/06/546761706.db2.gz RGURFYRCZVJVNN-BXKDBHETSA-N 1 0 322.206 3.355 10 0 DGAERO C[C@H]1CCN(c2ccc(Br)c(Cl)c2)CC[NH2+]1 ZINC000675059260 548148728 /nfs/dbraw/zinc/14/87/28/548148728.db2.gz MKEOZBJTZHSIET-VIFPVBQESA-N 1 0 303.631 3.291 10 0 DGAERO COc1ccccc1[C@H]1C[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675055857 548148852 /nfs/dbraw/zinc/14/88/52/548148852.db2.gz ZZWOBKGACOBNRH-GXTWGEPZSA-N 1 0 306.406 3.095 10 0 DGAERO C[NH+]1CCC(c2noc(-c3ccc(Br)cc3)n2)CC1 ZINC000675055483 548148955 /nfs/dbraw/zinc/14/89/55/548148955.db2.gz USMOHXFFFKBDJD-UHFFFAOYSA-N 1 0 322.206 3.308 10 0 DGAERO CC[C@@]1([NH+]2CCSCC2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685961505 549810828 /nfs/dbraw/zinc/81/08/28/549810828.db2.gz SCFLZGSYMISCKU-MRXNPFEDSA-N 1 0 314.495 3.215 10 0 DGAERO CC[C@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2sccc21 ZINC000725242511 563525652 /nfs/dbraw/zinc/52/56/52/563525652.db2.gz AWFOTUWZSODLJU-BBRMVZONSA-N 1 0 310.463 3.412 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H](CC[NH3+])c1c[nH]c2ccccc21 ZINC000725269846 563575584 /nfs/dbraw/zinc/57/55/84/563575584.db2.gz ZYOPISRPVMTAKL-LBPRGKRZSA-N 1 0 303.406 3.125 10 0 DGAERO O=C1[C@H]([NH2+]Cc2cnc3ccccc3c2)CCN1c1ccccc1 ZINC000731678753 574556780 /nfs/dbraw/zinc/55/67/80/574556780.db2.gz KRQMRFLNMHJYAY-LJQANCHMSA-N 1 0 317.392 3.130 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)cc1F ZINC000675053663 563860814 /nfs/dbraw/zinc/86/08/14/563860814.db2.gz JWBBOPVFPALTGQ-SMDDNHRTSA-N 1 0 312.360 3.364 10 0 DGAERO COc1cccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675053635 563860740 /nfs/dbraw/zinc/86/07/40/563860740.db2.gz JNWAQFWLTCFZGU-ZFWWWQNUSA-N 1 0 306.406 3.013 10 0 DGAERO C/C(=C/C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1cccc(F)c1 ZINC000732061478 574566021 /nfs/dbraw/zinc/56/60/21/574566021.db2.gz LTUVYRQWXRJAGC-LQWWUDNOSA-N 1 0 318.436 3.466 10 0 DGAERO C/C(=C/C(=O)NCCn1ccnc1C(C)C)c1cccc(F)c1 ZINC000732278409 574569326 /nfs/dbraw/zinc/56/93/26/574569326.db2.gz LWOPIFWOPNNRFW-KAMYIIQDSA-N 1 0 315.392 3.365 10 0 DGAERO CC(C)(C)OC(=O)NCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000732672685 574578506 /nfs/dbraw/zinc/57/85/06/574578506.db2.gz WNCXVPILEPVHOA-UHFFFAOYSA-N 1 0 310.825 3.443 10 0 DGAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000733162994 574599947 /nfs/dbraw/zinc/59/99/47/574599947.db2.gz AGOZADHARXQWIE-HNNXBMFYSA-N 1 0 307.825 3.137 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)NC(C1CCCC1)C1CCCC1 ZINC000735513956 574705782 /nfs/dbraw/zinc/70/57/82/574705782.db2.gz UAUGMZPSXIWHBG-UHFFFAOYSA-N 1 0 309.498 3.375 10 0 DGAERO CC(C)[C@@H](C(=O)OCCOc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000741010443 574948048 /nfs/dbraw/zinc/94/80/48/574948048.db2.gz GUWKJAQGHNLMDT-KRWDZBQOSA-N 1 0 323.408 3.258 10 0 DGAERO CC(C)NC(=S)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000741498747 574960033 /nfs/dbraw/zinc/96/00/33/574960033.db2.gz OSJNGZNSCJHUQR-OCCSQVGLSA-N 1 0 311.520 3.004 10 0 DGAERO C/C(=C\C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)c1cccc(F)c1 ZINC000737742028 575900372 /nfs/dbraw/zinc/90/03/72/575900372.db2.gz CZSGEYMBZUDURW-IDKBZEPQSA-N 1 0 304.409 3.028 10 0 DGAERO COc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000398111946 575960669 /nfs/dbraw/zinc/96/06/69/575960669.db2.gz DJEWPWOIHKCKMF-QAPCUYQASA-N 1 0 311.429 3.413 10 0 DGAERO CNC(=O)CCC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000398280136 575962198 /nfs/dbraw/zinc/96/21/98/575962198.db2.gz FYVBAOOAJRSZJB-MRVPVSSYSA-N 1 0 307.196 3.309 10 0 DGAERO COC(=O)c1ccc2c(cnn2C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000728197382 576168475 /nfs/dbraw/zinc/16/84/75/576168475.db2.gz WRJIIZVRYKLAPX-MRXNPFEDSA-N 1 0 313.401 3.045 10 0 DGAERO CCCCOC(=O)CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728685645 576194421 /nfs/dbraw/zinc/19/44/21/576194421.db2.gz BVWJSWMGMILABQ-SFHVURJKSA-N 1 0 324.509 3.308 10 0 DGAERO C[C@H](N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1)C(F)(F)F ZINC000757132614 617643146 /nfs/dbraw/zinc/64/31/46/617643146.db2.gz CWSBHMUCRYZKIJ-VIFPVBQESA-N 1 0 319.327 3.233 10 0 DGAERO Fc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCO[C@H]1c1cn[nH]c1 ZINC000888078171 618016363 /nfs/dbraw/zinc/01/63/63/618016363.db2.gz TVKCVYGBQPKDTI-BLLLJJGKSA-N 1 0 323.799 3.460 10 0 DGAERO C[C@@H](CCO)[NH2+][C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000223308771 618624715 /nfs/dbraw/zinc/62/47/15/618624715.db2.gz CLSBMDJIZDLCQE-LRDDRELGSA-N 1 0 320.433 3.381 10 0 DGAERO C[C@H](CCO)[NH2+][C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000223308704 618624747 /nfs/dbraw/zinc/62/47/47/618624747.db2.gz CLSBMDJIZDLCQE-MLGOLLRUSA-N 1 0 320.433 3.381 10 0 DGAERO O=C(N(Cc1ccccc1)C1CCCCC1)[C@]1(F)CC[NH2+]C1 ZINC000151881042 620478469 /nfs/dbraw/zinc/47/84/69/620478469.db2.gz QLBRPSBKWMPBDA-SFHVURJKSA-N 1 0 304.409 3.050 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)ccc1F ZINC000153113159 620533938 /nfs/dbraw/zinc/53/39/38/620533938.db2.gz ORQPJCKKZXFICR-LRDDRELGSA-N 1 0 319.376 3.227 10 0 DGAERO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000114989929 621071437 /nfs/dbraw/zinc/07/14/37/621071437.db2.gz IBTPGPIBUGMPET-KRWDZBQOSA-N 1 0 310.397 3.151 10 0 DGAERO O=C(Cc1ccsc1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117101376 621351538 /nfs/dbraw/zinc/35/15/38/621351538.db2.gz VACIYIHBVYNDJH-INIZCTEOSA-N 1 0 301.411 3.108 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C/c1ccnc2ccccc12 ZINC000117799383 621451922 /nfs/dbraw/zinc/45/19/22/621451922.db2.gz FGYAOHLJAKSSEQ-SXSDINLZSA-N 1 0 323.440 3.239 10 0 DGAERO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000122113333 622233761 /nfs/dbraw/zinc/23/37/61/622233761.db2.gz RUODDXBUOCRYBV-SFHVURJKSA-N 1 0 317.429 3.011 10 0 DGAERO COCc1cc([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)ccc1OC ZINC000123116371 622465020 /nfs/dbraw/zinc/46/50/20/622465020.db2.gz XLJGURDWNSJBRJ-CRAIPNDOSA-N 1 0 322.493 3.469 10 0 DGAERO COCc1cc([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)ccc1OC ZINC000123116114 622465067 /nfs/dbraw/zinc/46/50/67/622465067.db2.gz XLJGURDWNSJBRJ-QAPCUYQASA-N 1 0 322.493 3.469 10 0 DGAERO CSCCCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124716216 623218521 /nfs/dbraw/zinc/21/85/21/623218521.db2.gz DIQPSCUNAMEGQD-MRXNPFEDSA-N 1 0 307.459 3.337 10 0 DGAERO C[N@H+](CCCOC(=O)CCC(F)(F)F)Cc1ccccc1 ZINC000129504288 625664162 /nfs/dbraw/zinc/66/41/62/625664162.db2.gz UWCJCRUGJAXCOQ-UHFFFAOYSA-N 1 0 303.324 3.394 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)cc1Cl ZINC000126424709 623832453 /nfs/dbraw/zinc/83/24/53/623832453.db2.gz DACKPEWGFMTJIF-FZMZJTMJSA-N 1 0 310.825 3.454 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000209529504 624173633 /nfs/dbraw/zinc/17/36/33/624173633.db2.gz ZAKVFAPCMHTDMY-MRXNPFEDSA-N 1 0 304.434 3.218 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)Nc1cccc(C2SCCS2)c1 ZINC000127857324 624599130 /nfs/dbraw/zinc/59/91/30/624599130.db2.gz KDMKDFTWWDCNLP-LLVKDONJSA-N 1 0 308.472 3.103 10 0 DGAERO CCCS(=O)(=O)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000127999232 624669245 /nfs/dbraw/zinc/66/92/45/624669245.db2.gz URZSJRBFVAXQAF-OAHLLOKOSA-N 1 0 315.866 3.206 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000130537637 625868684 /nfs/dbraw/zinc/86/86/84/625868684.db2.gz RXIOSWCIAGVUCZ-SJORKVTESA-N 1 0 301.361 3.145 10 0 DGAERO C([NH2+][C@@H]1CCCSC1)C1(N2CCSCC2)CCCCC1 ZINC000131464399 626640345 /nfs/dbraw/zinc/64/03/45/626640345.db2.gz GVTHVGLCJKTCDE-OAHLLOKOSA-N 1 0 314.564 3.223 10 0 DGAERO CC[NH2+]Cc1cccc2c1CN(C(=O)OCc1ccccc1)CC2 ZINC000757136178 626751095 /nfs/dbraw/zinc/75/10/95/626751095.db2.gz MMKLZZQQTPFPLD-UHFFFAOYSA-N 1 0 324.424 3.491 10 0 DGAERO Cc1cc(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])ccc1Cl ZINC000757144100 626751656 /nfs/dbraw/zinc/75/16/56/626751656.db2.gz HTSLSZZERWKWIO-UKRRQHHQSA-N 1 0 324.852 3.385 10 0 DGAERO CCN(CC)c1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000757185683 626753839 /nfs/dbraw/zinc/75/38/39/626753839.db2.gz YXLNFSIXAZVJEA-IAGOWNOFSA-N 1 0 318.461 3.178 10 0 DGAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2cnn(C)c2)c(C)o1 ZINC000886080411 627100034 /nfs/dbraw/zinc/10/00/34/627100034.db2.gz REPHCLZCPZTKNM-QIIPPGSGSA-N 1 0 317.433 3.448 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)o1 ZINC000220944378 627212049 /nfs/dbraw/zinc/21/20/49/627212049.db2.gz PGQZXWNZARNOLE-IYXRBSQSSA-N 1 0 323.437 3.470 10 0 DGAERO Cc1ccc2c(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c[nH]c2c1 ZINC000101859958 629817159 /nfs/dbraw/zinc/81/71/59/629817159.db2.gz ISLYPMJODMMCOQ-INIZCTEOSA-N 1 0 315.461 3.111 10 0 DGAERO CCC[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C[C@@H]1CCCCO1 ZINC000106867268 631476831 /nfs/dbraw/zinc/47/68/31/631476831.db2.gz XHPOTLDYLOBRQK-YOEHRIQHSA-N 1 0 313.388 3.279 10 0 DGAERO CCCCCCOCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107524301 631648330 /nfs/dbraw/zinc/64/83/30/631648330.db2.gz OXQRMTKLGIWJEG-KRWDZBQOSA-N 1 0 310.482 3.060 10 0 DGAERO CCc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000107666994 631677694 /nfs/dbraw/zinc/67/76/94/631677694.db2.gz GYZFYAYUSIEQTG-AWEZNQCLSA-N 1 0 306.475 3.401 10 0 DGAERO CC[C@H](NCc1cc(=O)oc2cc(O)ccc12)c1nccs1 ZINC000185100277 660201880 /nfs/dbraw/zinc/20/18/80/660201880.db2.gz MDDHVYOMMRKEAH-ZDUSSCGKSA-N 1 0 316.382 3.196 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000185313648 660214965 /nfs/dbraw/zinc/21/49/65/660214965.db2.gz VICPTPFJJGASEF-CYBMUJFWSA-N 1 0 300.786 3.087 10 0 DGAERO Cc1ccc2c(C[N@@H+](C)[C@@H](CO)CC(C)C)cc(=O)oc2c1C ZINC000185312093 660215042 /nfs/dbraw/zinc/21/50/42/660215042.db2.gz BRQNJRSNVZOVDO-MRXNPFEDSA-N 1 0 317.429 3.249 10 0 DGAERO C[N@H+](CCOc1ccccc1)C[C@@H](O)c1cc(F)ccc1F ZINC000132080793 660480025 /nfs/dbraw/zinc/48/00/25/660480025.db2.gz JIEXIWCTLUPBLC-QGZVFWFLSA-N 1 0 307.340 3.009 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000700079125 660612102 /nfs/dbraw/zinc/61/21/02/660612102.db2.gz GJOOZEJRKWOSJC-FZKCQIBNSA-N 1 0 320.477 3.412 10 0 DGAERO CCC(F)(F)C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000700201235 660615804 /nfs/dbraw/zinc/61/58/04/660615804.db2.gz CEXBPHBRMIWXEL-RYUDHWBXSA-N 1 0 306.397 3.315 10 0 DGAERO CC[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)C(C)C ZINC000700257033 660618769 /nfs/dbraw/zinc/61/87/69/660618769.db2.gz LICULABXPBNHSA-AWEZNQCLSA-N 1 0 314.470 3.085 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000700349400 660621520 /nfs/dbraw/zinc/62/15/20/660621520.db2.gz VTXBCNQYAQNNKX-KOLCDFICSA-N 1 0 308.834 3.283 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cccnc1 ZINC000700730385 660634012 /nfs/dbraw/zinc/63/40/12/660634012.db2.gz NPLJOYXMFFXTPT-VNHYZAJKSA-N 1 0 305.422 3.130 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000700760678 660635993 /nfs/dbraw/zinc/63/59/93/660635993.db2.gz DISCZLRLOCUCFE-IHRRRGAJSA-N 1 0 314.470 3.178 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000701735324 660681951 /nfs/dbraw/zinc/68/19/51/660681951.db2.gz RSXGXLCKLWVLFK-ZOWXZIJZSA-N 1 0 318.408 3.457 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000701935029 660693053 /nfs/dbraw/zinc/69/30/53/660693053.db2.gz LTNSCQCBWKXMDA-RWMBFGLXSA-N 1 0 318.408 3.315 10 0 DGAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@@H]1CC1(F)F ZINC000701936521 660693206 /nfs/dbraw/zinc/69/32/06/660693206.db2.gz SQFFYVVZKUXWTD-QWHCGFSZSA-N 1 0 320.424 3.418 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000701993105 660696394 /nfs/dbraw/zinc/69/63/94/660696394.db2.gz NLXPFJACDTVFNN-NWINJMCUSA-N 1 0 314.495 3.306 10 0 DGAERO Cc1ccccc1-c1noc([C@H](N)C[N@@H+](C)Cc2ccccc2)n1 ZINC000702212370 660716341 /nfs/dbraw/zinc/71/63/41/660716341.db2.gz GAZXIBLYKMVSCS-QGZVFWFLSA-N 1 0 322.412 3.177 10 0 DGAERO C[C@H](F)CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000702644347 660734306 /nfs/dbraw/zinc/73/43/06/660734306.db2.gz GMZOLPNOYLXFJY-ZDUSSCGKSA-N 1 0 302.434 3.361 10 0 DGAERO C[C@@H]1OC[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@@H]1C ZINC000702902685 660747207 /nfs/dbraw/zinc/74/72/07/660747207.db2.gz CWTAUWMFTUDYOA-SOLBZPMBSA-N 1 0 303.446 3.387 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988303 660752112 /nfs/dbraw/zinc/75/21/12/660752112.db2.gz MFEDBZHZOQSAHF-OXHPOLQJSA-N 1 0 316.489 3.180 10 0 DGAERO Clc1ccc2nc(C[NH2+]CCC3SCCS3)cn2c1 ZINC000703307871 660777205 /nfs/dbraw/zinc/77/72/05/660777205.db2.gz LBMAKNXZUMQEKB-UHFFFAOYSA-N 1 0 313.879 3.274 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]CC2(SC)CC2)CCN1C(=O)OC(C)(C)C ZINC000704623640 660813893 /nfs/dbraw/zinc/81/38/93/660813893.db2.gz SBCPUEXZQSEYIR-QWHCGFSZSA-N 1 0 314.495 3.260 10 0 DGAERO CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC000705990684 660841473 /nfs/dbraw/zinc/84/14/73/660841473.db2.gz ZVDPCVIRMQEYFD-SOUVJXGZSA-N 1 0 314.470 3.083 10 0 DGAERO COc1cccc(C[NH2+]C2CC(SC)C2)c1OC(F)F ZINC000708265874 660919289 /nfs/dbraw/zinc/91/92/89/660919289.db2.gz OQGRQRCCLCAZHS-UHFFFAOYSA-N 1 0 303.374 3.280 10 0 DGAERO COc1ccc(C[NH2+]C2CC(SC)C2)c(Cl)c1OC ZINC000708307778 660919883 /nfs/dbraw/zinc/91/98/83/660919883.db2.gz ZQMOTTHHJYPLOA-UHFFFAOYSA-N 1 0 301.839 3.341 10 0 DGAERO c1ccc(C[N@H+]2CCCCC[C@@H](NCc3cnccn3)C2)cc1 ZINC000709646753 660925616 /nfs/dbraw/zinc/92/56/16/660925616.db2.gz SMXAZQZBVVRUPX-GOSISDBHSA-N 1 0 310.445 3.011 10 0 DGAERO CC1(C)C[NH2+]C[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000711167338 660940662 /nfs/dbraw/zinc/94/06/62/660940662.db2.gz MISGKMNHCDDBCE-NSHDSACASA-N 1 0 322.206 3.212 10 0 DGAERO C[C@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cn(C)cn1 ZINC000709926963 660931526 /nfs/dbraw/zinc/93/15/26/660931526.db2.gz CZZMVKQXGASIQQ-WMZOPIPTSA-N 1 0 312.461 3.125 10 0 DGAERO CN(CCC[NH2+]C1CC1)Cc1cscc1Br ZINC000709917764 660931546 /nfs/dbraw/zinc/93/15/46/660931546.db2.gz LJSIFYPJBJISJZ-UHFFFAOYSA-N 1 0 303.269 3.085 10 0 DGAERO C[C@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cn(C)cn1 ZINC000709926961 660931663 /nfs/dbraw/zinc/93/16/63/660931663.db2.gz CZZMVKQXGASIQQ-FUHWJXTLSA-N 1 0 312.461 3.125 10 0 DGAERO CN(CCCCCC[NH3+])C(=O)CSc1ccc(Cl)cc1 ZINC000710757267 660934488 /nfs/dbraw/zinc/93/44/88/660934488.db2.gz DGCCHJARNSDWIF-UHFFFAOYSA-N 1 0 314.882 3.410 10 0 DGAERO COC1(OC)CC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000710961713 660938807 /nfs/dbraw/zinc/93/88/07/660938807.db2.gz QCARQUJVJBMEDN-GXFFZTMASA-N 1 0 314.223 3.251 10 0 DGAERO CC(F)(F)C(C)(C)C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000711263580 660944493 /nfs/dbraw/zinc/94/44/93/660944493.db2.gz ARELDEZKAXNHFK-UHFFFAOYSA-N 1 0 302.331 3.284 10 0 DGAERO Cc1noc(C)c1[C@@H](C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711475460 660954322 /nfs/dbraw/zinc/95/43/22/660954322.db2.gz KHDIBNDZGSWJAF-GWMXKSKGSA-N 1 0 323.437 3.245 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000711417005 660951553 /nfs/dbraw/zinc/95/15/53/660951553.db2.gz GXHQQZMBZPYZOG-OTTFEQOBSA-N 1 0 318.408 3.457 10 0 DGAERO C[C@@H](CC(F)(F)F)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711437154 660952303 /nfs/dbraw/zinc/95/23/03/660952303.db2.gz GTNOIXAXNFDIHL-WHXUTIOJSA-N 1 0 310.360 3.220 10 0 DGAERO C[C@H](CC(F)(F)F)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711437148 660952311 /nfs/dbraw/zinc/95/23/11/660952311.db2.gz GTNOIXAXNFDIHL-KPPDAEKUSA-N 1 0 310.360 3.220 10 0 DGAERO C[C@H]1CC[C@@H]([NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CS1 ZINC000711489036 660955021 /nfs/dbraw/zinc/95/50/21/660955021.db2.gz CWHFXFHGVAEJLY-RJZJGCCBSA-N 1 0 314.495 3.163 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H]2CCCC2(F)F)C1 ZINC000711486106 660955176 /nfs/dbraw/zinc/95/51/76/660955176.db2.gz ZXFOYHLUZBDIRS-HTAVTVPLSA-N 1 0 304.381 3.067 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@]23C[C@@H]2CCCC3)C1 ZINC000711502717 660955602 /nfs/dbraw/zinc/95/56/02/660955602.db2.gz CTXOKXIRNOMJGS-JEGBIIHOSA-N 1 0 308.466 3.460 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cncs3)CCC[C@H]12 ZINC000711651006 660961043 /nfs/dbraw/zinc/96/10/43/660961043.db2.gz QLNRTVLDYDKKJA-BBRMVZONSA-N 1 0 323.462 3.165 10 0 DGAERO C[C@H](NCc1nccn1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711747251 660962277 /nfs/dbraw/zinc/96/22/77/660962277.db2.gz RNRDYWCUZQZEMJ-FUHWJXTLSA-N 1 0 324.472 3.218 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000254957477 655548780 /nfs/dbraw/zinc/54/87/80/655548780.db2.gz NFRFOPBTFFZOCZ-OWBHPGMISA-N 1 0 318.436 3.466 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccccc1Cl ZINC000255003354 655557632 /nfs/dbraw/zinc/55/76/32/655557632.db2.gz HKENDTHCTWKWNM-JWINAJMKSA-N 1 0 304.821 3.048 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]1OC ZINC000049949031 655627331 /nfs/dbraw/zinc/62/73/31/655627331.db2.gz VKDVYESSHZRXMT-GXTWGEPZSA-N 1 0 314.223 3.115 10 0 DGAERO c1ccc2c(c1)C[C@H](c1nc(C[C@@H]3CCC[NH2+]C3)no1)S2 ZINC000092233934 655693459 /nfs/dbraw/zinc/69/34/59/655693459.db2.gz INHVDQQGXJSKOU-SMDDNHRTSA-N 1 0 301.415 3.001 10 0 DGAERO CN1C[C@@H](CC[NH2+]Cc2cc(Cl)sc2Cl)CC1=O ZINC000723594768 655703707 /nfs/dbraw/zinc/70/37/07/655703707.db2.gz POQBOKHOFCQXKU-QMMMGPOBSA-N 1 0 307.246 3.013 10 0 DGAERO C[N@H+](CCCOc1ccccc1)C[C@@H](O)c1cc(F)ccc1F ZINC000051347370 655736075 /nfs/dbraw/zinc/73/60/75/655736075.db2.gz KUMUXJVHLNPSJB-GOSISDBHSA-N 1 0 321.367 3.399 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000724025153 655737449 /nfs/dbraw/zinc/73/74/49/655737449.db2.gz DKTYEXBGWKOYIP-ZIAGYGMSSA-N 1 0 323.437 3.074 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000247504852 655738673 /nfs/dbraw/zinc/73/86/73/655738673.db2.gz XWVVDJCNIPBSPI-BVKQBWKVSA-N 1 0 312.866 3.260 10 0 DGAERO CCSCC[C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724112793 655743059 /nfs/dbraw/zinc/74/30/59/655743059.db2.gz ZOXYTRBRSKYDMQ-DTWKUNHWSA-N 1 0 309.344 3.056 10 0 DGAERO COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000724122382 655745546 /nfs/dbraw/zinc/74/55/46/655745546.db2.gz SRLGGRYOBYEEIJ-JSGCOSHPSA-N 1 0 314.223 3.067 10 0 DGAERO C/C(=C\C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000176282512 655747927 /nfs/dbraw/zinc/74/79/27/655747927.db2.gz RLRYQDXZNSSOIM-ISBHARSQSA-N 1 0 304.821 3.050 10 0 DGAERO CC[N@H+](Cc1cc(Br)ccc1O)C[C@](C)(O)CC ZINC000161335326 655785452 /nfs/dbraw/zinc/78/54/52/655785452.db2.gz FAWPFKANVDPGBT-CQSZACIVSA-N 1 0 316.239 3.138 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 ZINC000121868063 655792287 /nfs/dbraw/zinc/79/22/87/655792287.db2.gz AJOSWDKQRUKJGT-IXDOHACOSA-N 1 0 306.494 3.438 10 0 DGAERO [NH2+]=C(NCc1cccc(Br)c1)NC1CCCCC1 ZINC000052048102 655801347 /nfs/dbraw/zinc/80/13/47/655801347.db2.gz RTDIWSMWWTZMKU-UHFFFAOYSA-N 1 0 310.239 3.396 10 0 DGAERO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cn(C)nc1Br ZINC000712396733 661188143 /nfs/dbraw/zinc/18/81/43/661188143.db2.gz IORYBZDINGAXCN-GWCFXTLKSA-N 1 0 300.244 3.241 10 0 DGAERO Cc1ccc(Br)c(N2CC[N@@H+](C)C(C)(C)CC2)n1 ZINC000712632698 661189246 /nfs/dbraw/zinc/18/92/46/661189246.db2.gz NTEYBMAFUMOPQX-UHFFFAOYSA-N 1 0 312.255 3.073 10 0 DGAERO Brc1ccsc1CC[NH2+]CC[C@H]1CCOC1 ZINC000713047099 661189831 /nfs/dbraw/zinc/18/98/31/661189831.db2.gz WCUPZCJIKDTPSX-JTQLQIEISA-N 1 0 304.253 3.069 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]CCc1sccc1Br ZINC000713093634 661190212 /nfs/dbraw/zinc/19/02/12/661190212.db2.gz KJZXWCOPXGKYND-VIFPVBQESA-N 1 0 306.269 3.456 10 0 DGAERO CCn1ccnc1C[NH2+]CCc1sccc1Br ZINC000713104842 661190252 /nfs/dbraw/zinc/19/02/52/661190252.db2.gz LXTLENUPTXVQER-UHFFFAOYSA-N 1 0 314.252 3.059 10 0 DGAERO CC[C@H]([NH2+]CCc1sccc1Br)[C@@H]1CCOC1 ZINC000713115026 661190290 /nfs/dbraw/zinc/19/02/90/661190290.db2.gz DYBWXVVQRANJRG-PWSUYJOCSA-N 1 0 318.280 3.458 10 0 DGAERO CCOc1ccc(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c(C)c1 ZINC000262351718 655823655 /nfs/dbraw/zinc/82/36/55/655823655.db2.gz GKNFQUQBQMTLJU-INIZCTEOSA-N 1 0 316.376 3.214 10 0 DGAERO COCC1CC([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000713917326 661194426 /nfs/dbraw/zinc/19/44/26/661194426.db2.gz NTEZKKUALRZGBY-ZOODHJKOSA-N 1 0 312.251 3.395 10 0 DGAERO OCC[C@H]([NH2+]Cc1occc1Br)C1CCCC1 ZINC000725086746 655854192 /nfs/dbraw/zinc/85/41/92/655854192.db2.gz ASGRDDINACRGEK-LBPRGKRZSA-N 1 0 302.212 3.073 10 0 DGAERO CN(CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000721590958 655861047 /nfs/dbraw/zinc/86/10/47/655861047.db2.gz ZHGCUVCGDVPRJS-QZTJIDSGSA-N 1 0 304.478 3.302 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)/C=C\c2ccccc2)ccc1F ZINC000255620941 655877448 /nfs/dbraw/zinc/87/74/48/655877448.db2.gz FDQGETRJICRLPJ-LUAWRHEFSA-N 1 0 312.388 3.217 10 0 DGAERO CC(C)(C)C1CCC([NH2+]CC[C@@H]2CCCS2(=O)=O)CC1 ZINC000714362462 661198665 /nfs/dbraw/zinc/19/86/65/661198665.db2.gz ZLIHJPLYENAVBH-NRXISQOPSA-N 1 0 301.496 3.148 10 0 DGAERO CC(C)(C)C1CCC([NH2+]CC[C@H]2CCCS2(=O)=O)CC1 ZINC000714362463 661198905 /nfs/dbraw/zinc/19/89/05/661198905.db2.gz ZLIHJPLYENAVBH-YMAMQOFZSA-N 1 0 301.496 3.148 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)c(F)c1 ZINC000714365393 661199150 /nfs/dbraw/zinc/19/91/50/661199150.db2.gz LNSZGINXOZZUPE-PWSUYJOCSA-N 1 0 319.829 3.097 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C(C)=C/c1ccc(F)cc1 ZINC000177030857 655888039 /nfs/dbraw/zinc/88/80/39/655888039.db2.gz XQKBEKRTHOYHCO-ABDJAZHISA-N 1 0 304.409 3.172 10 0 DGAERO CC(C)(C[NH3+])C1CCN(c2ccc(Br)cn2)CC1 ZINC000714393174 661199765 /nfs/dbraw/zinc/19/97/65/661199765.db2.gz YKCUWGKBNNAJIF-UHFFFAOYSA-N 1 0 312.255 3.045 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000714596820 661199840 /nfs/dbraw/zinc/19/98/40/661199840.db2.gz FNWGTKAWSOHCNE-KYZUINATSA-N 1 0 320.177 3.242 10 0 DGAERO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191972614 655896254 /nfs/dbraw/zinc/89/62/54/655896254.db2.gz IRKCLMUSPRYHPI-WBVHZDCISA-N 1 0 316.332 3.354 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000714457943 661200535 /nfs/dbraw/zinc/20/05/35/661200535.db2.gz GUDYZAFCMGCNQZ-RIEGTJTDSA-N 1 0 310.235 3.451 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000714446904 661200808 /nfs/dbraw/zinc/20/08/08/661200808.db2.gz DUGIXSQKPNNQDU-WVSHTKLVSA-N 1 0 302.187 3.103 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000714705572 661202209 /nfs/dbraw/zinc/20/22/09/661202209.db2.gz LRBLPFHLQYKUKB-HFBAOOFYSA-N 1 0 324.262 3.321 10 0 DGAERO CCC1([NH3+])CCN(Cc2cc(Br)ccc2F)CC1 ZINC000714753530 661203579 /nfs/dbraw/zinc/20/35/79/661203579.db2.gz CURKIHLYATVUPK-UHFFFAOYSA-N 1 0 315.230 3.292 10 0 DGAERO Cc1cnn(CC[NH2+]Cc2cc(Br)c(C)s2)c1 ZINC000235947877 655937055 /nfs/dbraw/zinc/93/70/55/655937055.db2.gz WRFNYSMADMNSAV-UHFFFAOYSA-N 1 0 314.252 3.114 10 0 DGAERO Cc1sc(C[NH2+]CC[C@H]2CCOC2)cc1Br ZINC000235964779 655937462 /nfs/dbraw/zinc/93/74/62/655937462.db2.gz VHHZENLTDAQCPF-JTQLQIEISA-N 1 0 304.253 3.335 10 0 DGAERO O=C(/C=C/c1ccc(Cl)s1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715053537 661207761 /nfs/dbraw/zinc/20/77/61/661207761.db2.gz JDCBFSKGVBVEDZ-CBHWHFHUSA-N 1 0 310.850 3.015 10 0 DGAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccc(Cl)cn1 ZINC000715721751 661213972 /nfs/dbraw/zinc/21/39/72/661213972.db2.gz TVRXAONOQMYNPI-UHFFFAOYSA-N 1 0 313.829 3.128 10 0 DGAERO C[C@H](Cc1cccc(F)c1)[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000309690669 656040565 /nfs/dbraw/zinc/04/05/65/656040565.db2.gz YWMOKNHTZHDRSK-GEXIGZQTSA-N 1 0 322.424 3.427 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)ccc1F ZINC000715974852 661217501 /nfs/dbraw/zinc/21/75/01/661217501.db2.gz GFSMOLFFKJPDQI-OLZOCXBDSA-N 1 0 311.397 3.274 10 0 DGAERO Cc1n[nH]c(C[NH2+]Cc2ccc(Br)cc2C)c1C ZINC000716469468 661224040 /nfs/dbraw/zinc/22/40/40/661224040.db2.gz ORUSDRZJOOEZFT-UHFFFAOYSA-N 1 0 308.223 3.387 10 0 DGAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1ncc(Br)s1 ZINC000716650389 661226211 /nfs/dbraw/zinc/22/62/11/661226211.db2.gz KGCXMCOPBUCXEK-XFWSIPNHSA-N 1 0 301.253 3.287 10 0 DGAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716655123 661226239 /nfs/dbraw/zinc/22/62/39/661226239.db2.gz BABASUJQGAEFNS-VTMBPIDISA-N 1 0 308.466 3.171 10 0 DGAERO CCC(CC)(C[NH2+]Cc1cc(C)no1)NC(=O)OC(C)(C)C ZINC000309998612 656129807 /nfs/dbraw/zinc/12/98/07/656129807.db2.gz CUSMWPNGKHUEBR-UHFFFAOYSA-N 1 0 311.426 3.156 10 0 DGAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000716790422 661228950 /nfs/dbraw/zinc/22/89/50/661228950.db2.gz PORNMNZVBJOTCG-KKMMWDRVSA-N 1 0 305.180 3.047 10 0 DGAERO CCOC(=O)/C=C\C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000310527619 656150133 /nfs/dbraw/zinc/15/01/33/656150133.db2.gz JEQRRPSWNGZSGO-DOGVGXBMSA-N 1 0 312.207 3.219 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1c(F)cccc1Br ZINC000716842946 661229774 /nfs/dbraw/zinc/22/97/74/661229774.db2.gz IUDVDZIVTZLIJK-NXEZZACHSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000716886262 661230072 /nfs/dbraw/zinc/23/00/72/661230072.db2.gz OVWRCFFMSSCYFW-KOLCDFICSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000716887488 661230163 /nfs/dbraw/zinc/23/01/63/661230163.db2.gz RZTDJNSAZPVYMX-CKYFFXLPSA-N 1 0 301.228 3.044 10 0 DGAERO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000193370227 656189547 /nfs/dbraw/zinc/18/95/47/656189547.db2.gz WMPPXRHFAPIAMP-KBXCAEBGSA-N 1 0 301.430 3.443 10 0 DGAERO [NH3+][C@@H]1CN(c2ncc(Cl)cc2Cl)CC[C@H]1C(F)(F)F ZINC000716986292 661236697 /nfs/dbraw/zinc/23/66/97/661236697.db2.gz MBZFMTXGWMNLGE-VXNVDRBHSA-N 1 0 314.138 3.104 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717093627 661247443 /nfs/dbraw/zinc/24/74/43/661247443.db2.gz IKOAVMXRDPWVES-JHJVBQTASA-N 1 0 318.408 3.124 10 0 DGAERO CC(C)C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717143153 661255153 /nfs/dbraw/zinc/25/51/53/661255153.db2.gz IBXZDOONCGHORR-GFCCVEGCSA-N 1 0 306.397 3.124 10 0 DGAERO [NH3+][C@H]1CN(Cc2cccc(Cl)c2F)CC[C@H]1C(F)(F)F ZINC000717156755 661255911 /nfs/dbraw/zinc/25/59/11/661255911.db2.gz VVQUUKUAOMCTGB-KOLCDFICSA-N 1 0 310.722 3.191 10 0 DGAERO CN(CC[C@@H](O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310131102 656446972 /nfs/dbraw/zinc/44/69/72/656446972.db2.gz KSPCXOGQTTXNMP-LEWJYISDSA-N 1 0 324.468 3.316 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723630287 656496572 /nfs/dbraw/zinc/49/65/72/656496572.db2.gz YGYWLEJUCNYBPK-QXCFHYIPSA-N 1 0 303.446 3.387 10 0 DGAERO Cc1cccc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000724017123 656505531 /nfs/dbraw/zinc/50/55/31/656505531.db2.gz ODYWKKKWABDMSZ-GJZGRUSLSA-N 1 0 319.449 3.173 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@H]2CSC2(C)C)C1 ZINC000724036714 656506724 /nfs/dbraw/zinc/50/67/24/656506724.db2.gz AQZNRRQPPFUJKU-UPJWGTAASA-N 1 0 314.495 3.163 10 0 DGAERO Cc1cnc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC000724059008 656507435 /nfs/dbraw/zinc/50/74/35/656507435.db2.gz GIJQFJNNRZRMTK-GASCZTMLSA-N 1 0 319.449 3.091 10 0 DGAERO CC(C)O[C@@]1(C[NH2+]Cc2ccc(Cl)c(F)c2)CCOC1 ZINC000722355854 656509859 /nfs/dbraw/zinc/50/98/59/656509859.db2.gz HFGBWIMUCMTRJQ-OAHLLOKOSA-N 1 0 301.789 3.153 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC000724106665 656509965 /nfs/dbraw/zinc/50/99/65/656509965.db2.gz ASRXKGJASDFFJY-JHJVBQTASA-N 1 0 318.408 3.457 10 0 DGAERO C[C@H]1CC(C[NH2+]Cc2occc2Br)C[C@H](C)O1 ZINC000724287075 656513595 /nfs/dbraw/zinc/51/35/95/656513595.db2.gz IZRZHMYLDSDVPR-UWVGGRQHSA-N 1 0 302.212 3.335 10 0 DGAERO Cc1cc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cc(Cl)n1 ZINC000722383219 656637507 /nfs/dbraw/zinc/63/75/07/656637507.db2.gz PJNYGOIPQFOLTD-GHMZBOCLSA-N 1 0 308.731 3.243 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000317771645 656675639 /nfs/dbraw/zinc/67/56/39/656675639.db2.gz WASJDIYFXRDPCN-JQFCIGGWSA-N 1 0 300.402 3.139 10 0 DGAERO CC(C)[C@](C)(C[NH3+])NCc1ccc(Br)c(F)c1 ZINC000261542989 656906255 /nfs/dbraw/zinc/90/62/55/656906255.db2.gz CNVBCXGCPQGUDT-ZDUSSCGKSA-N 1 0 303.219 3.051 10 0 DGAERO CC(C)c1ccc(NC(=O)CN2C[C@H]([NH3+])Cc3ccccc32)cc1 ZINC000261647086 656941754 /nfs/dbraw/zinc/94/17/54/656941754.db2.gz JEZCLLAORMZCDV-QGZVFWFLSA-N 1 0 323.440 3.139 10 0 DGAERO [NH3+]CCCCCCNc1ncc(Br)cc1Cl ZINC000236167939 656953557 /nfs/dbraw/zinc/95/35/57/656953557.db2.gz NBLOZGGRRJMQOY-UHFFFAOYSA-N 1 0 306.635 3.429 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000236911280 656981270 /nfs/dbraw/zinc/98/12/70/656981270.db2.gz AVNOIEWGDPCLJD-MEDUHNTESA-N 1 0 317.364 3.325 10 0 DGAERO C/C(=C\C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000178771135 657043701 /nfs/dbraw/zinc/04/37/01/657043701.db2.gz GGRHYTJOYMWTAP-WYMLVPIESA-N 1 0 318.436 3.466 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2csc(Br)c2)C1 ZINC000721814949 657399415 /nfs/dbraw/zinc/39/94/15/657399415.db2.gz BAWUKJGSZWYVQI-SNVBAGLBSA-N 1 0 304.253 3.103 10 0 DGAERO CC(C)/C=C\C(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000096794738 657554839 /nfs/dbraw/zinc/55/48/39/657554839.db2.gz MTEGXMIIEALPJW-HSNDNRACSA-N 1 0 314.473 3.412 10 0 DGAERO [NH3+][C@H]1CC[C@H](c2nc(-c3ccccc3Br)no2)C1 ZINC000097068061 657591716 /nfs/dbraw/zinc/59/17/16/657591716.db2.gz ZGXUBNZRFOYWGU-IUCAKERBSA-N 1 0 308.179 3.094 10 0 DGAERO COCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC000304349920 657627027 /nfs/dbraw/zinc/62/70/27/657627027.db2.gz WYLSFJSFAAKIAY-AWEZNQCLSA-N 1 0 322.449 3.178 10 0 DGAERO CO[C@@H]1C[N@H+](Cn2ccc(-c3ccc(F)cc3)n2)CC[C@H]1C ZINC000253294729 657667388 /nfs/dbraw/zinc/66/73/88/657667388.db2.gz HTYUAOUNXZVLBB-CXAGYDPISA-N 1 0 303.381 3.004 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000720658536 658056098 /nfs/dbraw/zinc/05/60/98/658056098.db2.gz DSFXLLKIXYAASC-QUHHJHJSSA-N 1 0 308.466 3.410 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000720847080 658149744 /nfs/dbraw/zinc/14/97/44/658149744.db2.gz YBICQDHDBHPGQA-SCZZXKLOSA-N 1 0 310.722 3.048 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)o1 ZINC000720850269 658150687 /nfs/dbraw/zinc/15/06/87/658150687.db2.gz PAXFRYRDBDDWQW-ZMLRMANQSA-N 1 0 300.196 3.089 10 0 DGAERO Cc1cc(Cl)ccc1CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720878815 658155151 /nfs/dbraw/zinc/15/51/51/658155151.db2.gz UOVJVOWWAFOWKE-AAEUAGOBSA-N 1 0 306.759 3.217 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccncc1 ZINC000721865676 658240608 /nfs/dbraw/zinc/24/06/08/658240608.db2.gz DBAQWXSMZVRJSJ-UKRRQHHQSA-N 1 0 319.449 3.378 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179132121 658332741 /nfs/dbraw/zinc/33/27/41/658332741.db2.gz ZACXGEMBUJGLRW-WDEREUQCSA-N 1 0 306.841 3.367 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccc2ccccc2n1 ZINC000129576057 658923484 /nfs/dbraw/zinc/92/34/84/658923484.db2.gz BMHYQIZYCKLSLQ-LPQFERQCSA-N 1 0 323.440 3.239 10 0 DGAERO C[C@H]1OCCN(Cc2ccc(SC(=O)N(C)C)cc2)[C@@H]1C ZINC000156506845 658925415 /nfs/dbraw/zinc/92/54/15/658925415.db2.gz GDQXKUXVCCGERK-CHWSQXEVSA-N 1 0 308.447 3.070 10 0 DGAERO c1ccc(OC2CCC2)c(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000156618874 658931162 /nfs/dbraw/zinc/93/11/62/658931162.db2.gz UWFDTCCDZGPSLH-UHFFFAOYSA-N 1 0 317.429 3.393 10 0 DGAERO CCCOc1ccc(Br)cc1C[NH2+][C@H](C)[C@@H](C)O ZINC000349272542 658937495 /nfs/dbraw/zinc/93/74/95/658937495.db2.gz AGULGFGRSJPZGZ-GHMZBOCLSA-N 1 0 316.239 3.097 10 0 DGAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000722506636 658959067 /nfs/dbraw/zinc/95/90/67/658959067.db2.gz YIUKSJBQFKUNOO-RVKKMQEKSA-N 1 0 300.446 3.059 10 0 DGAERO Cc1cccc(C[NH+]2CCN(c3cncc4cccnc43)CC2)c1 ZINC000223133944 658965784 /nfs/dbraw/zinc/96/57/84/658965784.db2.gz GOPACMKIKWFYAZ-UHFFFAOYSA-N 1 0 318.424 3.260 10 0 DGAERO Cc1cc(N[C@@H](C)c2ccc(Br)cc2)nc(N)[nH+]1 ZINC000045724098 659037479 /nfs/dbraw/zinc/03/74/79/659037479.db2.gz KXKXYZYPZHYSGY-VIFPVBQESA-N 1 0 307.195 3.303 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCCSC1)c1cccc(C(F)(F)F)c1 ZINC000167461757 659090805 /nfs/dbraw/zinc/09/08/05/659090805.db2.gz VXXLVQHQIXWOOD-OLZOCXBDSA-N 1 0 305.365 3.224 10 0 DGAERO CC(C)[C@H](C)[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000158178814 659148975 /nfs/dbraw/zinc/14/89/75/659148975.db2.gz CRUMIOBMWRUGKF-QLFBSQMISA-N 1 0 314.470 3.035 10 0 DGAERO Cc1nc([C@@H](C)[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)cs1 ZINC000227581424 659157711 /nfs/dbraw/zinc/15/77/11/659157711.db2.gz MALFBUGUGYPKLO-OIKLOGQESA-N 1 0 311.451 3.158 10 0 DGAERO CCN(CC[NH2+]Cc1cc(C)c(O)c(C)c1)C(=O)OC(C)(C)C ZINC000227652216 659160308 /nfs/dbraw/zinc/16/03/08/659160308.db2.gz HHRCSLBXZYKFOI-UHFFFAOYSA-N 1 0 322.449 3.356 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000227753673 659162510 /nfs/dbraw/zinc/16/25/10/659162510.db2.gz QEKPSSVYYIERGH-SNAWJCMRSA-N 1 0 315.417 3.338 10 0 DGAERO Cc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1F ZINC000227758592 659163085 /nfs/dbraw/zinc/16/30/85/659163085.db2.gz GZEXEUQAOGJKIR-AATRIKPKSA-N 1 0 308.397 3.305 10 0 DGAERO Cc1cc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc(C)c1O ZINC000227757542 659163209 /nfs/dbraw/zinc/16/32/09/659163209.db2.gz PORWTFIMLQKRGW-VOTSOKGWSA-N 1 0 320.433 3.180 10 0 DGAERO Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000227759781 659163790 /nfs/dbraw/zinc/16/37/90/659163790.db2.gz CUXAMAJJGMMCGE-AATRIKPKSA-N 1 0 308.397 3.305 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000227811402 659164449 /nfs/dbraw/zinc/16/44/49/659164449.db2.gz NUPVNCMXQXLXJA-INTQDDNPSA-N 1 0 301.217 3.298 10 0 DGAERO OCCCCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000228734760 659208541 /nfs/dbraw/zinc/20/85/41/659208541.db2.gz ILKGWTUNSHQNOP-ZDUSSCGKSA-N 1 0 314.223 3.025 10 0 DGAERO O=C(/C=C\c1ccco1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000229711807 659276709 /nfs/dbraw/zinc/27/67/09/659276709.db2.gz HAJYYMDXHURPMK-RXQFDZFGSA-N 1 0 324.424 3.116 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+]Cc1cccn1CCC(C)C ZINC000172627537 659347584 /nfs/dbraw/zinc/34/75/84/659347584.db2.gz PFHLDAXDKQVKNA-GOSISDBHSA-N 1 0 316.445 3.366 10 0 DGAERO Brc1ccccc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084635 659363952 /nfs/dbraw/zinc/36/39/52/659363952.db2.gz OERZGLKGBDFUEQ-SNVBAGLBSA-N 1 0 322.206 3.041 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1Cc1csc(Br)c1 ZINC000063168459 659370411 /nfs/dbraw/zinc/37/04/11/659370411.db2.gz BBMPKKMMIWVAKM-LLVKDONJSA-N 1 0 303.269 3.085 10 0 DGAERO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(C(C)(C)C)cc1 ZINC000173380927 659382841 /nfs/dbraw/zinc/38/28/41/659382841.db2.gz WHHKRLGZTFSJTM-CQSZACIVSA-N 1 0 304.434 3.477 10 0 DGAERO CCCCOC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174384096 659432981 /nfs/dbraw/zinc/43/29/81/659432981.db2.gz PHCSJGWNZIJLKP-ROUUACIJSA-N 1 0 319.445 3.308 10 0 DGAERO Cc1nccn1C[C@H]1CCCN1C(=O)NC1CCCCCCC1 ZINC000175514261 659922905 /nfs/dbraw/zinc/92/29/05/659922905.db2.gz QWERKJSVFXRVNL-QGZVFWFLSA-N 1 0 318.465 3.478 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C1 ZINC000170868019 659944939 /nfs/dbraw/zinc/94/49/39/659944939.db2.gz AYAFUVFZLRMNQZ-YRYLYKBFSA-N 1 0 300.446 3.160 10 0 DGAERO c1[nH]nc2c1[C@H](NC[C@H]1CCC[N@@H+]1CC1CCCCC1)CCC2 ZINC000353517289 659995197 /nfs/dbraw/zinc/99/51/97/659995197.db2.gz JUXDHLPXACLZOM-SJLPKXTDSA-N 1 0 316.493 3.421 10 0 DGAERO Cc1cc2oc(=O)cc(C[NH2+][C@H](C)[C@H]3CCCO3)c2cc1C ZINC000183202331 660104715 /nfs/dbraw/zinc/10/47/15/660104715.db2.gz XBTYVTJBMDTGKZ-CZUORRHYSA-N 1 0 301.386 3.067 10 0 DGAERO CO[C@H](C)CCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183291029 660107585 /nfs/dbraw/zinc/10/75/85/660107585.db2.gz ZNGOAOIVSFFMKH-AEFFLSMTSA-N 1 0 319.445 3.257 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)CCCSC(C)(C)C)CC[N@@H+]1C ZINC000155991391 661856626 /nfs/dbraw/zinc/85/66/26/661856626.db2.gz OLUHBJIIFWYQHQ-ZIAGYGMSSA-N 1 0 300.512 3.239 10 0 DGAERO CCCCOC(=O)CC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000157802541 661869023 /nfs/dbraw/zinc/86/90/23/661869023.db2.gz PRUYHZKYAQJPAB-AWEZNQCLSA-N 1 0 310.463 3.364 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000187933937 661908286 /nfs/dbraw/zinc/90/82/86/661908286.db2.gz ZVICADVTMMDJMV-NHYWBVRUSA-N 1 0 312.797 3.231 10 0 DGAERO Cc1cc(C)cc([C@H](O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189139704 661965833 /nfs/dbraw/zinc/96/58/33/661965833.db2.gz RMAFOWRWAJJAIK-RTBURBONSA-N 1 0 303.446 3.228 10 0 DGAERO CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@H](O)C(F)(F)F ZINC000189870839 661994691 /nfs/dbraw/zinc/99/46/91/661994691.db2.gz SIRHHIRZRFPOAM-NSHDSACASA-N 1 0 311.731 3.099 10 0 DGAERO CC(C)(O)C[N@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CC1 ZINC000189894456 661995428 /nfs/dbraw/zinc/99/54/28/661995428.db2.gz FOEKAFUOPCPGCT-OAHLLOKOSA-N 1 0 322.836 3.068 10 0 DGAERO C=C[C@@](C)(CCOC)COC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000191173149 662055972 /nfs/dbraw/zinc/05/59/72/662055972.db2.gz WKOUOSUIZNAXQD-AEFFLSMTSA-N 1 0 311.466 3.269 10 0 DGAERO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000191671254 662077007 /nfs/dbraw/zinc/07/70/07/662077007.db2.gz BUIISYUNJXVTPF-KRWDZBQOSA-N 1 0 319.832 3.356 10 0 DGAERO CC(C)CCOc1ccc(C[NH2+]CC2(C)OCCCO2)cc1 ZINC000192249027 662093034 /nfs/dbraw/zinc/09/30/34/662093034.db2.gz ZCAACOXXNRRRDS-UHFFFAOYSA-N 1 0 307.434 3.354 10 0 DGAERO COc1ccccc1/C=C/C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000192952247 662116969 /nfs/dbraw/zinc/11/69/69/662116969.db2.gz LGOPDBGNIKVUDT-QSYFUGGGSA-N 1 0 320.433 3.211 10 0 DGAERO COc1ccccc1/C=C/C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC000192952234 662116986 /nfs/dbraw/zinc/11/69/86/662116986.db2.gz LGOPDBGNIKVUDT-PLWJUESGSA-N 1 0 320.433 3.211 10 0 DGAERO Clc1csc(C[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000193000676 662120223 /nfs/dbraw/zinc/12/02/23/662120223.db2.gz AMBVGBKBZGCYOX-UHFFFAOYSA-N 1 0 304.806 3.272 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+]CC1CCC3(CC1)OCCO3)CCC2 ZINC000193375245 662132184 /nfs/dbraw/zinc/13/21/84/662132184.db2.gz PEJYUDSDCSRWEB-CQSZACIVSA-N 1 0 322.474 3.352 10 0 DGAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000193522190 662137053 /nfs/dbraw/zinc/13/70/53/662137053.db2.gz YJAZPJIXWUHERY-KOLCDFICSA-N 1 0 308.834 3.425 10 0 DGAERO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000194545978 662168298 /nfs/dbraw/zinc/16/82/98/662168298.db2.gz WUCBUZDNQSWGAC-PBHICJAKSA-N 1 0 312.454 3.208 10 0 DGAERO Clc1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)ccn1 ZINC000195516036 662190931 /nfs/dbraw/zinc/19/09/31/662190931.db2.gz DSSAPVWPQRBFTC-AWEZNQCLSA-N 1 0 302.809 3.064 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717937793 662210261 /nfs/dbraw/zinc/21/02/61/662210261.db2.gz MVBYARWBCGCKGV-SECBINFHSA-N 1 0 308.369 3.332 10 0 DGAERO C[C@@H]([NH2+]CCCn1cncn1)c1ccc(C(F)(F)F)s1 ZINC000717940357 662210661 /nfs/dbraw/zinc/21/06/61/662210661.db2.gz VSOKCBQUUHDYHW-SECBINFHSA-N 1 0 304.341 3.099 10 0 DGAERO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717946684 662211977 /nfs/dbraw/zinc/21/19/77/662211977.db2.gz SXFJKBSLNRYGJV-JOYOIKCWSA-N 1 0 311.369 3.205 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(C(F)(F)F)s1 ZINC000717999126 662213068 /nfs/dbraw/zinc/21/30/68/662213068.db2.gz FBGPAOIQVBCFEW-CAHLUQPWSA-N 1 0 307.259 3.341 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)s1 ZINC000089389415 662242916 /nfs/dbraw/zinc/24/29/16/662242916.db2.gz WSRDSLSIVGNSGP-HBNTYKKESA-N 1 0 300.855 3.344 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000245883071 662243134 /nfs/dbraw/zinc/24/31/34/662243134.db2.gz LEOHILGPKBWEOM-BPQIPLTHSA-N 1 0 321.461 3.158 10 0 DGAERO O[C@]12CCCC[C@H]1CN(Cn1nc(Cl)c3ccccc31)CC2 ZINC000246200478 662250751 /nfs/dbraw/zinc/25/07/51/662250751.db2.gz LVFCMNYAQCMOLF-GUYCJALGSA-N 1 0 319.836 3.274 10 0 DGAERO Clc1sccc1C[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000718411482 662254501 /nfs/dbraw/zinc/25/45/01/662254501.db2.gz PUQYZTDWLUBQQE-NEPJUHHUSA-N 1 0 302.896 3.071 10 0 DGAERO CCN(CC[NH2+][C@@H]1CCC[C@@H](OC)CC1)C(=O)OC(C)(C)C ZINC000718737180 662260899 /nfs/dbraw/zinc/26/08/99/662260899.db2.gz TULFYYKNFAPFGA-HUUCEWRRSA-N 1 0 314.470 3.181 10 0 DGAERO CCN(CC[NH2+][C@H]1CCC[C@H](OC)CC1)C(=O)OC(C)(C)C ZINC000718737178 662260936 /nfs/dbraw/zinc/26/09/36/662260936.db2.gz TULFYYKNFAPFGA-GJZGRUSLSA-N 1 0 314.470 3.181 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCCCCCC2)[C@@H](C)C1 ZINC000246490260 662261645 /nfs/dbraw/zinc/26/16/45/662261645.db2.gz RSEHUWKEEXAQBQ-RDJZCZTQSA-N 1 0 309.498 3.471 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000718825534 662261926 /nfs/dbraw/zinc/26/19/26/662261926.db2.gz NNTREQWXJYQYCA-IPMKNSEASA-N 1 0 302.462 3.198 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000718791506 662262127 /nfs/dbraw/zinc/26/21/27/662262127.db2.gz PNRBUHJGGFQIEC-RRFJBIMHSA-N 1 0 314.470 3.085 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(Br)s2)CC1 ZINC000718827965 662262504 /nfs/dbraw/zinc/26/25/04/662262504.db2.gz UPPUQNVEPLLZAM-NXEZZACHSA-N 1 0 319.268 3.343 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000718866219 662263360 /nfs/dbraw/zinc/26/33/60/662263360.db2.gz NWJMCRGOUHAUJW-WFASDCNBSA-N 1 0 321.877 3.407 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2ccc(CSC(F)F)o2)CCSC1 ZINC000719205412 662271486 /nfs/dbraw/zinc/27/14/86/662271486.db2.gz UGLGKHDLLQNYPD-CYBMUJFWSA-N 1 0 323.430 3.347 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H](C)CCO)c(C)c1Br ZINC000719523716 662291508 /nfs/dbraw/zinc/29/15/08/662291508.db2.gz IIZAKSICPGSBQM-SNVBAGLBSA-N 1 0 300.240 3.174 10 0 DGAERO Cc1ccc(C[NH2+]CCc2ccnn2C)c(C)c1Br ZINC000719525141 662291568 /nfs/dbraw/zinc/29/15/68/662291568.db2.gz PTSDZUBOBKXWBR-UHFFFAOYSA-N 1 0 322.250 3.132 10 0 DGAERO Cc1ccc(C[NH2+]Cc2cnn(C)c2)c(C)c1Br ZINC000719553278 662291880 /nfs/dbraw/zinc/29/18/80/662291880.db2.gz JBDCCWHNIGHCCW-UHFFFAOYSA-N 1 0 308.223 3.089 10 0 DGAERO C[NH2+]CCCCc1nc(-c2cccc(Br)c2)no1 ZINC000719698533 662296241 /nfs/dbraw/zinc/29/62/41/662296241.db2.gz DAPLQPOSWBACTQ-UHFFFAOYSA-N 1 0 310.195 3.041 10 0 DGAERO Cc1csc([C@H]2CCCN(CN3C[C@@H](C(C)C)CC3=O)C2)n1 ZINC000247005410 662296515 /nfs/dbraw/zinc/29/65/15/662296515.db2.gz FRCUFRDZFNMWFL-GJZGRUSLSA-N 1 0 321.490 3.093 10 0 DGAERO C[NH2+]CCCCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000719713647 662297153 /nfs/dbraw/zinc/29/71/53/662297153.db2.gz ZASMKUOLWMCGJF-UHFFFAOYSA-N 1 0 303.233 3.042 10 0 DGAERO COc1ccc(C[NH2+][C@@H](C)C(C)(C)OC)c(Cl)c1OC ZINC000720149978 662303064 /nfs/dbraw/zinc/30/30/64/662303064.db2.gz OTFYUFRUJYSCCX-JTQLQIEISA-N 1 0 301.814 3.260 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000720162983 662305879 /nfs/dbraw/zinc/30/58/79/662305879.db2.gz CGESSHTUVAQAEU-ZJUUUORDSA-N 1 0 301.228 3.308 10 0 DGAERO O=C(CC[C@H]1CCOC1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248383884 662343659 /nfs/dbraw/zinc/34/36/59/662343659.db2.gz BTWWEUYKADRHOQ-ZWKOTPCHSA-N 1 0 317.429 3.011 10 0 DGAERO Cc1cc(Br)cnc1NCc1ccc(CC[NH3+])cc1 ZINC000094051350 662362579 /nfs/dbraw/zinc/36/25/79/662362579.db2.gz IRVYYWRVUPZTHE-UHFFFAOYSA-N 1 0 320.234 3.266 10 0 DGAERO C[C@@]1(C[NH2+]C[C@H]2CCC=CO2)CCCN1Cc1ccccc1 ZINC000249041528 662363267 /nfs/dbraw/zinc/36/32/67/662363267.db2.gz UWLCRAYGNVJIKX-MOPGFXCFSA-N 1 0 300.446 3.323 10 0 DGAERO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717940958 685276076 /nfs/dbraw/zinc/27/60/76/685276076.db2.gz YHVDIIGRPRPNNZ-SECBINFHSA-N 1 0 308.369 3.286 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1ccc(Cl)s1 ZINC000255116999 685120850 /nfs/dbraw/zinc/12/08/50/685120850.db2.gz QBJDHNRNAQUNRN-UPZNUWHASA-N 1 0 312.866 3.357 10 0 DGAERO C[C@H](F)CC[NH2+]Cc1ccccc1I ZINC000378850173 685145133 /nfs/dbraw/zinc/14/51/33/685145133.db2.gz DOXOBNJMSSSMFO-VIFPVBQESA-N 1 0 307.150 3.129 10 0 DGAERO c1csc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)n1 ZINC000379638699 685149340 /nfs/dbraw/zinc/14/93/40/685149340.db2.gz AJEGHLKKOFKRFI-INIZCTEOSA-N 1 0 301.459 3.287 10 0 DGAERO CC1(C)CN(Cc2ncccc2Br)CCS1 ZINC000381075033 685154959 /nfs/dbraw/zinc/15/49/59/685154959.db2.gz PPIHCRMBRDNVGK-UHFFFAOYSA-N 1 0 301.253 3.172 10 0 DGAERO C[C@H]([NH2+]Cc1nc(Br)c[nH]1)[C@H]1CC2CCC1CC2 ZINC000381594802 685158766 /nfs/dbraw/zinc/15/87/66/685158766.db2.gz FEYHGTDFUDFWOA-WNYYMSAVSA-N 1 0 312.255 3.477 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1(C)C ZINC000381778676 685160220 /nfs/dbraw/zinc/16/02/20/685160220.db2.gz XOFZIILQLUEDQQ-ZOBORPQBSA-N 1 0 314.470 3.081 10 0 DGAERO Cc1cc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)cs1 ZINC000382185045 685162411 /nfs/dbraw/zinc/16/24/11/685162411.db2.gz GVNMFEJVUNNDQO-AWEZNQCLSA-N 1 0 310.463 3.449 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000382451060 685163219 /nfs/dbraw/zinc/16/32/19/685163219.db2.gz MTXCZYPGLAHDTE-IHRRRGAJSA-N 1 0 314.470 3.225 10 0 DGAERO CCC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390105407 685199068 /nfs/dbraw/zinc/19/90/68/685199068.db2.gz IUKPQAYCMUKAMT-LSDHHAIUSA-N 1 0 314.470 3.038 10 0 DGAERO Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000390801999 685206428 /nfs/dbraw/zinc/20/64/28/685206428.db2.gz QBHFXOUNCUKVAK-KGLIPLIRSA-N 1 0 323.437 3.074 10 0 DGAERO c1cc2c(cc1CC[NH2+][C@@H]1CCOC3(CCCC3)C1)OCCO2 ZINC000391263285 685210113 /nfs/dbraw/zinc/21/01/13/685210113.db2.gz IAFLLPSVNQRLPF-MRXNPFEDSA-N 1 0 317.429 3.082 10 0 DGAERO O=c1cc(C[NH2+][C@H]2CCc3c2cccc3Br)cc[nH]1 ZINC000392757587 685215217 /nfs/dbraw/zinc/21/52/17/685215217.db2.gz NKMXHBUIMFXQDP-AWEZNQCLSA-N 1 0 319.202 3.327 10 0 DGAERO C[C@H](Cc1ccc(F)cc1)[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000393950004 685220069 /nfs/dbraw/zinc/22/00/69/685220069.db2.gz VKCKHRZMAVLFQM-GEXIGZQTSA-N 1 0 322.424 3.427 10 0 DGAERO c1ccc(COCc2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)cc1 ZINC000395573487 685225894 /nfs/dbraw/zinc/22/58/94/685225894.db2.gz SVQSMHXORHGSRP-XHSDSOJGSA-N 1 0 313.401 3.380 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1COC(C)(C)C1)C(C)(C)C ZINC000396512703 685227250 /nfs/dbraw/zinc/22/72/50/685227250.db2.gz QPDKMKLSFJDHBD-ZDUSSCGKSA-N 1 0 314.470 3.179 10 0 DGAERO Cc1sc(C[NH2+]CC2=CCOCC2)cc1Br ZINC000397732443 685231680 /nfs/dbraw/zinc/23/16/80/685231680.db2.gz DULVWWLBCJSTJY-UHFFFAOYSA-N 1 0 302.237 3.255 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000397904426 685232994 /nfs/dbraw/zinc/23/29/94/685232994.db2.gz ZAKVAHRJPPDNLK-UHFFFAOYSA-N 1 0 316.854 3.358 10 0 DGAERO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000399086797 685239544 /nfs/dbraw/zinc/23/95/44/685239544.db2.gz ZXUIXKXRBWJHRE-LLVKDONJSA-N 1 0 303.189 3.311 10 0 DGAERO C[C@H]1CC[C@H]([NH2+]CCOC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC000399218525 685240615 /nfs/dbraw/zinc/24/06/15/685240615.db2.gz JWORDGTZBVEZCJ-KBPBESRZSA-N 1 0 314.470 3.179 10 0 DGAERO COc1cc(C[NH2+]CCc2cccnc2)ccc1OC(C)C ZINC000128709792 1176018124 /nfs/dbraw/zinc/01/81/24/1176018124.db2.gz XOHJPKYWBAGMDE-UHFFFAOYSA-N 1 0 300.402 3.210 10 0 DGAERO CC(C)[C@H](C[NH2+][C@@H](C)CC1CC1)ONC(=O)OC(C)(C)C ZINC000398864611 1176051838 /nfs/dbraw/zinc/05/18/38/1176051838.db2.gz MNXHJSWKXOTQOK-JSGCOSHPSA-N 1 0 300.443 3.246 10 0 DGAERO Clc1c(Br)cccc1CNCC[NH+]1CCCC1 ZINC000228827784 1176168345 /nfs/dbraw/zinc/16/83/45/1176168345.db2.gz CPWQLLQGFDVQLJ-UHFFFAOYSA-N 1 0 317.658 3.288 10 0 DGAERO COc1cc(C[NH2+]CCOCc2ccccc2)cc(OC)c1 ZINC000080244587 1176242352 /nfs/dbraw/zinc/24/23/52/1176242352.db2.gz KXZBOXXZBLTCHB-UHFFFAOYSA-N 1 0 301.386 3.010 10 0 DGAERO C[C@H]1CCCN1CC[NH2+]Cc1sccc1Br ZINC000390491423 1176284606 /nfs/dbraw/zinc/28/46/06/1176284606.db2.gz QPVLIUNSBXJMHF-JTQLQIEISA-N 1 0 303.269 3.085 10 0 DGAERO C=CCNC(=O)C[NH2+][C@H](CC)Cc1ccc(Cl)cc1Cl ZINC000133312240 1176528541 /nfs/dbraw/zinc/52/85/41/1176528541.db2.gz KCVYTXSOZBVERW-CYBMUJFWSA-N 1 0 315.244 3.206 10 0 DGAERO Cc1sc(C[NH2+]CCN2CCCCC2)cc1Br ZINC000227820893 1176553652 /nfs/dbraw/zinc/55/36/52/1176553652.db2.gz CTFGHXDRKSZCPF-UHFFFAOYSA-N 1 0 317.296 3.395 10 0 DGAERO CC[C@@H]1CCC[C@H](C[NH2+]CCn2cc(Br)cn2)C1 ZINC000394517781 1176751838 /nfs/dbraw/zinc/75/18/38/1176751838.db2.gz IECGLBGDZTVFJO-OLZOCXBDSA-N 1 0 314.271 3.452 10 0 DGAERO CC[S@](=O)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000378910786 1176752599 /nfs/dbraw/zinc/75/25/99/1176752599.db2.gz IOUBXRJBTSVXBV-QFIPXVFZSA-N 1 0 317.454 3.124 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2Br)[C@@H](C)O1 ZINC000394918959 1176771880 /nfs/dbraw/zinc/77/18/80/1176771880.db2.gz RKPHQBGPCNMJAK-JRKPZEMJSA-N 1 0 302.187 3.244 10 0 DGAERO CCc1ncc(C[NH2+]CCCCNC(=O)OC(C)(C)C)s1 ZINC000397811218 1177012468 /nfs/dbraw/zinc/01/24/68/1177012468.db2.gz YVQAEHRLHNFTMS-UHFFFAOYSA-N 1 0 313.467 3.100 10 0 DGAERO COC(C)(C)CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397829201 1177012659 /nfs/dbraw/zinc/01/26/59/1177012659.db2.gz MHBNWLARZWQEGS-OLZOCXBDSA-N 1 0 314.470 3.083 10 0 DGAERO CCSCCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397859319 1177013114 /nfs/dbraw/zinc/01/31/14/1177013114.db2.gz XSKRXGNPAGTCCC-QWHCGFSZSA-N 1 0 316.511 3.411 10 0 DGAERO C[C@H](CCCCO)[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000398431198 1177019412 /nfs/dbraw/zinc/01/94/12/1177019412.db2.gz OOEYHHZEKPJMAW-CQSZACIVSA-N 1 0 316.486 3.163 10 0 DGAERO CCC[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)OC ZINC000382106068 1177027640 /nfs/dbraw/zinc/02/76/40/1177027640.db2.gz IKAHLAXDDOSDGC-CQSZACIVSA-N 1 0 316.486 3.427 10 0 DGAERO Brc1cccnc1C[NH2+]CC1CCSCC1 ZINC000309239486 1177090220 /nfs/dbraw/zinc/09/02/20/1177090220.db2.gz MHBWCCNSGIELOB-UHFFFAOYSA-N 1 0 301.253 3.077 10 0 DGAERO CC(C)(C)[S@@](=O)CC[NH2+]Cc1sccc1Br ZINC000309385445 1177096550 /nfs/dbraw/zinc/09/65/50/1177096550.db2.gz SPNCSFRAYWGPSN-INIZCTEOSA-N 1 0 324.309 3.147 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1Br ZINC000384972207 1177146502 /nfs/dbraw/zinc/14/65/02/1177146502.db2.gz YDBCXNKLMQXJEY-JOAULVNJSA-N 1 0 304.253 3.475 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)[C@H](C)O1 ZINC000385087245 1177154053 /nfs/dbraw/zinc/15/40/53/1177154053.db2.gz FUQPCGOXVMYYEF-RGNHYFCHSA-N 1 0 320.177 3.383 10 0 DGAERO CC(C)CSCC[NH2+]Cc1ccc(Br)cn1 ZINC000381247659 1177337716 /nfs/dbraw/zinc/33/77/16/1177337716.db2.gz OPPNJFZJEZYOED-UHFFFAOYSA-N 1 0 303.269 3.323 10 0 DGAERO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCOCCCO ZINC000353037403 1178059281 /nfs/dbraw/zinc/05/92/81/1178059281.db2.gz JMTFFIFBEWRUBC-ACCUITESSA-N 1 0 317.351 3.097 10 0 DGAERO C[N@@H+]1CCCC[C@@H]1CNCc1cc(F)ccc1Br ZINC000044562626 1194287044 /nfs/dbraw/zinc/28/70/44/1194287044.db2.gz PGZVDJLXUDPWQM-CYBMUJFWSA-N 1 0 315.230 3.162 10 0 DGAERO c1ccc(CCC[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000066969771 1195578697 /nfs/dbraw/zinc/57/86/97/1195578697.db2.gz HFPFPHLUWVDFSY-UHFFFAOYSA-N 1 0 310.441 3.246 10 0 DGAERO C=CCOc1ccc(CNC2CC[NH+](CC)CC2)cc1Cl ZINC000066970420 1195579395 /nfs/dbraw/zinc/57/93/95/1195579395.db2.gz NYLSRKYCGTYBHE-UHFFFAOYSA-N 1 0 308.853 3.479 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCCn2cccn2)cc1Cl ZINC000066971118 1195579697 /nfs/dbraw/zinc/57/96/97/1195579697.db2.gz FNEHYNMLGYUYQO-UHFFFAOYSA-N 1 0 305.809 3.281 10 0 DGAERO c1c2ccccc2oc1C[NH2+]CCCc1nnc2n1CCCCC2 ZINC000066994115 1195584148 /nfs/dbraw/zinc/58/41/48/1195584148.db2.gz YGCTZYYYAVUVEZ-UHFFFAOYSA-N 1 0 324.428 3.473 10 0 DGAERO c1ccc(OCC2CC2)c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000067968444 1195685510 /nfs/dbraw/zinc/68/55/10/1195685510.db2.gz GNGNVMAVCDUKHO-INIZCTEOSA-N 1 0 300.446 3.049 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1C[NH2+]CCOc1ccccc1 ZINC000069645794 1195807828 /nfs/dbraw/zinc/80/78/28/1195807828.db2.gz RMYFOHLNEBWCOM-UHFFFAOYSA-N 1 0 307.825 3.366 10 0 DGAERO C[NH+](C)CCCNC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000074960439 1196331764 /nfs/dbraw/zinc/33/17/64/1196331764.db2.gz VMNIRDUPCAFVRY-UHFFFAOYSA-N 1 0 302.462 3.345 10 0 DGAERO CC(C)n1cc(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000080206453 1197045133 /nfs/dbraw/zinc/04/51/33/1197045133.db2.gz RNZKDMIVWWYOSY-KRWDZBQOSA-N 1 0 314.477 3.464 10 0 DGAERO Brc1ccccc1C1CC([NH2+]Cc2ncc[nH]2)C1 ZINC000080580731 1197096156 /nfs/dbraw/zinc/09/61/56/1197096156.db2.gz XWESBKGLDULXLZ-UHFFFAOYSA-N 1 0 306.207 3.208 10 0 DGAERO COCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)CCC1 ZINC000382002308 1197705053 /nfs/dbraw/zinc/70/50/53/1197705053.db2.gz RKHNTISLKOVYHJ-FUHWJXTLSA-N 1 0 302.462 3.056 10 0 DGAERO CC[C@@H]([NH2+]C1CC(c2ccccc2Br)C1)[C@H](C)O ZINC000386739923 1197707606 /nfs/dbraw/zinc/70/76/06/1197707606.db2.gz XXHNYLBVGDZHPP-ZIULKBFBSA-N 1 0 312.251 3.444 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCOc1ccccc1 ZINC000389860531 1197711667 /nfs/dbraw/zinc/71/16/67/1197711667.db2.gz GRFYEWRNNYMFLE-PXNSSMCTSA-N 1 0 310.441 3.176 10 0 DGAERO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000390728940 1197713777 /nfs/dbraw/zinc/71/37/77/1197713777.db2.gz ULZQRMFPBMMMLW-QAPCUYQASA-N 1 0 306.413 3.337 10 0 DGAERO Cc1ccnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000392836979 1197718494 /nfs/dbraw/zinc/71/84/94/1197718494.db2.gz KPIHAIJXRJYVKY-CABCVRRESA-N 1 0 319.449 3.316 10 0 DGAERO Cc1ccnc(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000392836983 1197718536 /nfs/dbraw/zinc/71/85/36/1197718536.db2.gz KPIHAIJXRJYVKY-GJZGRUSLSA-N 1 0 319.449 3.316 10 0 DGAERO Cc1cnccc1CC[NH2+]Cc1ccc(Br)cc1 ZINC000397520555 1197722989 /nfs/dbraw/zinc/72/29/89/1197722989.db2.gz IPGFWMZBJXDZQV-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO C[C@@H](CCO)CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000397613340 1197723474 /nfs/dbraw/zinc/72/34/74/1197723474.db2.gz CXYPFJSNEHEQBM-CQSZACIVSA-N 1 0 316.486 3.020 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)C1CC1 ZINC000091344413 1198379013 /nfs/dbraw/zinc/37/90/13/1198379013.db2.gz DTWRWDFSILWHBY-BEFAXECRSA-N 1 0 302.462 3.004 10 0 DGAERO c1nc(C[NH2+]CCOC[C@H]2CCCO2)sc1-c1ccccc1 ZINC000092394339 1198567598 /nfs/dbraw/zinc/56/75/98/1198567598.db2.gz MLCGGDJKAMSZBX-OAHLLOKOSA-N 1 0 318.442 3.095 10 0 DGAERO CC(C)[C@H](CO)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000092392184 1198567813 /nfs/dbraw/zinc/56/78/13/1198567813.db2.gz PWMSFSHOKIUZPR-ZALBZXLWSA-N 1 0 312.251 3.302 10 0 DGAERO c1ccc(CCOCCC[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000093063311 1198646979 /nfs/dbraw/zinc/64/69/79/1198646979.db2.gz VCKIYQUMJFDZLZ-UHFFFAOYSA-N 1 0 316.470 3.371 10 0 DGAERO CCOc1ccccc1C[NH2+]CCN1CCc2ccccc2C1 ZINC000097206023 1199102839 /nfs/dbraw/zinc/10/28/39/1199102839.db2.gz KHXOHMDDQLGFEY-UHFFFAOYSA-N 1 0 310.441 3.233 10 0 DGAERO CC[C@]1(c2nc(CSc3ccc(F)cc3)no2)CC[NH2+]C1 ZINC000097329095 1199117968 /nfs/dbraw/zinc/11/79/68/1199117968.db2.gz GHDWYQIUKGBZPA-HNNXBMFYSA-N 1 0 307.394 3.142 10 0 DGAERO CO[C@H](C[NH2+]C[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000400266267 1199348418 /nfs/dbraw/zinc/34/84/18/1199348418.db2.gz KLLBYJBARGPBHQ-RTBURBONSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1ccnc(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000401660877 1199414143 /nfs/dbraw/zinc/41/41/43/1199414143.db2.gz DIVHHFAGFXIKAC-GOEBONIOSA-N 1 0 319.449 3.125 10 0 DGAERO CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)OC ZINC000401725369 1199416837 /nfs/dbraw/zinc/41/68/37/1199416837.db2.gz PWAXRDWCFQJSOK-RBSFLKMASA-N 1 0 314.470 3.037 10 0 DGAERO CCSCCC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401814068 1199420442 /nfs/dbraw/zinc/42/04/42/1199420442.db2.gz HHHSMQZKMDXOLT-INIZCTEOSA-N 1 0 322.474 3.130 10 0 DGAERO CC(C)=CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404418945 1199554526 /nfs/dbraw/zinc/55/45/26/1199554526.db2.gz HNSYAKAOORIJNZ-YESZJQIVSA-N 1 0 300.446 3.463 10 0 DGAERO CC(C)=CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404418943 1199554957 /nfs/dbraw/zinc/55/49/57/1199554957.db2.gz HNSYAKAOORIJNZ-ULQDDVLXSA-N 1 0 300.446 3.463 10 0 DGAERO CCCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404493612 1199563992 /nfs/dbraw/zinc/56/39/92/1199563992.db2.gz DBTJFURFJKWDMY-GVDBMIGSSA-N 1 0 317.477 3.479 10 0 DGAERO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405308599 1199597230 /nfs/dbraw/zinc/59/72/30/1199597230.db2.gz NNXPVCWBCNDTAA-LXTVHRRPSA-N 1 0 308.466 3.458 10 0 DGAERO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(I)cc1 ZINC000307186234 1199699876 /nfs/dbraw/zinc/69/98/76/1199699876.db2.gz LLNABGZIZOSLJD-JOYOIKCWSA-N 1 0 301.171 3.179 10 0 DGAERO c1csc(-c2nc(C[NH2+]CCOc3cccnc3)cs2)c1 ZINC000114507007 1199702982 /nfs/dbraw/zinc/70/29/82/1199702982.db2.gz KQNDYEOFHLDMSS-UHFFFAOYSA-N 1 0 317.439 3.435 10 0 DGAERO Cc1ccc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)cc1Br ZINC000313749590 1199773998 /nfs/dbraw/zinc/77/39/98/1199773998.db2.gz IBNCDUYGPZDXIS-MRXNPFEDSA-N 1 0 323.278 3.284 10 0 DGAERO CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CC(c2ccccc2Br)C1 ZINC000128340175 1200769776 /nfs/dbraw/zinc/76/97/76/1200769776.db2.gz DIJLOZIQTOBPMF-HBGGEXNNSA-N 1 0 324.262 3.444 10 0 DGAERO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1CSCCS1 ZINC000227533929 1201167948 /nfs/dbraw/zinc/16/79/48/1201167948.db2.gz GCFNZZZQPRXTOG-CYBMUJFWSA-N 1 0 306.500 3.425 10 0 DGAERO Cc1nn(C)c(C[NH2+]CCCCC(C)C)c1Br ZINC000134308907 1201198725 /nfs/dbraw/zinc/19/87/25/1201198725.db2.gz CASVVSBHQDRZMR-UHFFFAOYSA-N 1 0 302.260 3.407 10 0 DGAERO CC[S@](=O)CC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000134637157 1201203189 /nfs/dbraw/zinc/20/31/89/1201203189.db2.gz IKBOZIMQAXESQH-OAQYLSRUSA-N 1 0 303.427 3.337 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000135965875 1201207596 /nfs/dbraw/zinc/20/75/96/1201207596.db2.gz ZVJVGTCYYRHUEM-HZPDHXFCSA-N 1 0 324.509 3.256 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000135964956 1201207857 /nfs/dbraw/zinc/20/78/57/1201207857.db2.gz MILQDMWULMGBIG-OAHLLOKOSA-N 1 0 310.482 3.010 10 0 DGAERO c1cc(-c2nc(C[NH2+]CCCO[C@@H]3CCOC3)cs2)cs1 ZINC000153025347 1202595713 /nfs/dbraw/zinc/59/57/13/1202595713.db2.gz LVYSGKFUCLPGPA-CQSZACIVSA-N 1 0 324.471 3.157 10 0 DGAERO C[N@@H+]1CCCC[C@H]1CNCc1cccc(F)c1Br ZINC000156732929 1202601256 /nfs/dbraw/zinc/60/12/56/1202601256.db2.gz LGPCAPKHGOWQMA-LBPRGKRZSA-N 1 0 315.230 3.162 10 0 DGAERO c1[nH]nc2cc(C[NH2+]C[C@@H](c3ccccc3)N3CCCC3)ccc12 ZINC000236663849 1202618419 /nfs/dbraw/zinc/61/84/19/1202618419.db2.gz HJPCOWALHWAYJY-FQEVSTJZSA-N 1 0 320.440 3.490 10 0 DGAERO CC(C)Oc1ccccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000236675724 1202618840 /nfs/dbraw/zinc/61/88/40/1202618840.db2.gz SSRAFVYAKJYXDX-INIZCTEOSA-N 1 0 313.397 3.403 10 0 DGAERO c1oc(-c2ccccc2)nc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000236728503 1202622512 /nfs/dbraw/zinc/62/25/12/1202622512.db2.gz ORUACBWLWOPSCO-KRWDZBQOSA-N 1 0 316.401 3.017 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000191045408 1203283443 /nfs/dbraw/zinc/28/34/43/1203283443.db2.gz ADEQNJWQHYIMAH-CXAGYDPISA-N 1 0 316.445 3.163 10 0 DGAERO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC ZINC000243218465 1203583228 /nfs/dbraw/zinc/58/32/28/1203583228.db2.gz KJHBATXAUKLHNH-AWEZNQCLSA-N 1 0 318.417 3.066 10 0 DGAERO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CC ZINC000243218466 1203583314 /nfs/dbraw/zinc/58/33/14/1203583314.db2.gz KJHBATXAUKLHNH-CQSZACIVSA-N 1 0 318.417 3.066 10 0 DGAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000261608658 1204029450 /nfs/dbraw/zinc/02/94/50/1204029450.db2.gz AIQMCJBZJRLIJK-CABCVRRESA-N 1 0 316.445 3.207 10 0 DGAERO COc1cccc(CCC[NH2+][C@H](c2nc(C)no2)C(C)C)c1 ZINC000179894146 1204324478 /nfs/dbraw/zinc/32/44/78/1204324478.db2.gz ITQIAHHSJRHOOS-INIZCTEOSA-N 1 0 303.406 3.306 10 0 DGAERO CCOCCCN[C@H](c1nccn1C)c1ccccc1Cl ZINC000180567335 1204331726 /nfs/dbraw/zinc/33/17/26/1204331726.db2.gz FFYNCDPWZPYESW-HNNXBMFYSA-N 1 0 307.825 3.179 10 0 DGAERO CCOCCCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000155992165 1202599639 /nfs/dbraw/zinc/59/96/39/1202599639.db2.gz XAKIARKRTHFFRC-UHFFFAOYSA-N 1 0 304.203 3.495 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCCO1)CN(C)C(=O)OC(C)(C)C ZINC000705994574 1081854776 /nfs/dbraw/zinc/85/47/76/1081854776.db2.gz QOOQNNVYBIMUJI-QLFBSQMISA-N 1 0 314.470 3.037 10 0 DGAERO C[C@H](C[NH2+][C@H](C)[C@H]1CCCCO1)CN(C)C(=O)OC(C)(C)C ZINC000705994576 1081855585 /nfs/dbraw/zinc/85/55/85/1081855585.db2.gz QOOQNNVYBIMUJI-RBSFLKMASA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)[C@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CCO1 ZINC000397874981 1082015827 /nfs/dbraw/zinc/01/58/27/1082015827.db2.gz LHZIPIKRXRJJHZ-HUUCEWRRSA-N 1 0 314.470 3.085 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1cc(OC)ccc1Br ZINC000398552182 1082168459 /nfs/dbraw/zinc/16/84/59/1082168459.db2.gz JBWMKDWPMALUEX-GFCCVEGCSA-N 1 0 316.239 3.098 10 0 DGAERO C/C=C(/CC)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000588567347 1082646367 /nfs/dbraw/zinc/64/63/67/1082646367.db2.gz LNKKNBATHUKJEH-CRAFIKPXSA-N 1 0 322.399 3.402 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711069285 1085296204 /nfs/dbraw/zinc/29/62/04/1085296204.db2.gz NRGGDPLMKRGITD-HCAJQNDMSA-N 1 0 308.466 3.458 10 0 DGAERO Cc1cccc(-c2noc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)n2)c1 ZINC000246821729 1090172014 /nfs/dbraw/zinc/17/20/14/1090172014.db2.gz SFZSOQNCJJBXAA-HOTGVXAUSA-N 1 0 313.401 3.046 10 0 DGAERO Cc1ccc2cc(C[NH2+][C@H]3CCCCC34OCCO4)ccc2n1 ZINC000715681458 1090682183 /nfs/dbraw/zinc/68/21/83/1090682183.db2.gz GXWMMNNHECXTSE-SFHVURJKSA-N 1 0 312.413 3.319 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368746 1091354329 /nfs/dbraw/zinc/35/43/29/1091354329.db2.gz ZQERDBVSCMIODB-KGLIPLIRSA-N 1 0 315.244 3.469 10 0 DGAERO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCc3ccccc32)c(C)n1 ZINC000179143515 1093769395 /nfs/dbraw/zinc/76/93/95/1093769395.db2.gz CKLFDYCAUGJOCS-OAHLLOKOSA-N 1 0 309.413 3.397 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C(F)F ZINC000400514701 1093899927 /nfs/dbraw/zinc/89/99/27/1093899927.db2.gz MOYKUELQKJEMOB-QWRGUYRKSA-N 1 0 306.397 3.265 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000401671689 1093963112 /nfs/dbraw/zinc/96/31/12/1093963112.db2.gz ZVYGQHZLDSKVIH-MJGOQNOKSA-N 1 0 324.472 3.289 10 0 DGAERO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)n1 ZINC000401674835 1093963463 /nfs/dbraw/zinc/96/34/63/1093963463.db2.gz NQWNLYMWXLYOLT-CJNGLKHVSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000401688541 1093964763 /nfs/dbraw/zinc/96/47/63/1093964763.db2.gz YXGIHJNYXIZMTE-IIAWOOMASA-N 1 0 319.449 3.378 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccoc2)C12CCC2 ZINC000404478838 1094258781 /nfs/dbraw/zinc/25/87/81/1094258781.db2.gz AGQMKINOUXKYTI-KGLIPLIRSA-N 1 0 306.406 3.205 10 0 DGAERO Cc1noc(C)c1C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404592242 1094261279 /nfs/dbraw/zinc/26/12/79/1094261279.db2.gz STVFVJXENAFPDC-UHFFFAOYSA-N 1 0 323.437 3.076 10 0 DGAERO COc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c(F)c1 ZINC000404616819 1094262748 /nfs/dbraw/zinc/26/27/48/1094262748.db2.gz KKRLPQMWLQTYCR-WAYWQWQTSA-N 1 0 324.396 3.005 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)C12CCC2 ZINC000405236176 1094310889 /nfs/dbraw/zinc/31/08/89/1094310889.db2.gz SROQOALTOATJEC-NEPJUHHUSA-N 1 0 318.408 3.457 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCCCF)C12CCC2 ZINC000405370321 1094346445 /nfs/dbraw/zinc/34/64/45/1094346445.db2.gz YSCIWMNMVOBLHH-STQMWFEESA-N 1 0 300.418 3.162 10 0 DGAERO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000405746837 1094426498 /nfs/dbraw/zinc/42/64/98/1094426498.db2.gz WYLSVFQSAOIDFG-ATZCPNFKSA-N 1 0 304.253 3.066 10 0 DGAERO Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCCc4c(O)cccc43)cc12 ZINC000191657384 1094671391 /nfs/dbraw/zinc/67/13/91/1094671391.db2.gz ILHDHXUNGRPAET-QGZVFWFLSA-N 1 0 322.412 3.150 10 0 DGAERO C[C@]1(C(=O)Nc2ccc(SC(F)(F)F)cc2)CCC[NH2+]1 ZINC000079514981 1100983689 /nfs/dbraw/zinc/98/36/89/1100983689.db2.gz NUPQYXRZHGHHDN-GFCCVEGCSA-N 1 0 304.337 3.379 10 0 DGAERO COC(=O)/C(C)=C\C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000717969824 1104471658 /nfs/dbraw/zinc/47/16/58/1104471658.db2.gz HXSABFZCWDEDBA-QYRJGMMTSA-N 1 0 317.429 3.079 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]Cc2cc(C)co2)CCN1C(=O)OC(C)(C)C ZINC000718084617 1104507096 /nfs/dbraw/zinc/50/70/96/1104507096.db2.gz VLYDOFHQLUSQMB-LSDHHAIUSA-N 1 0 308.422 3.466 10 0 DGAERO Cc1cn(C)nc1C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000723524681 1106018826 /nfs/dbraw/zinc/01/88/26/1106018826.db2.gz JJPQFDJAQAYZJL-GFCCVEGCSA-N 1 0 322.250 3.212 10 0 DGAERO C[C@@H](CCOCc1ccccc1)[NH2+]CCC(=O)OC(C)(C)C ZINC000389676991 1108659328 /nfs/dbraw/zinc/65/93/28/1108659328.db2.gz DTAGSUYRPCUDIL-HNNXBMFYSA-N 1 0 307.434 3.303 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C1(C)C ZINC000701725857 1108981421 /nfs/dbraw/zinc/98/14/21/1108981421.db2.gz SMNMZZUWWYFXLY-HFAKWTLXSA-N 1 0 318.408 3.313 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1(C)C ZINC000701951391 1109005547 /nfs/dbraw/zinc/00/55/47/1109005547.db2.gz NQOPDNYZVWKZEJ-GRYCIOLGSA-N 1 0 318.408 3.313 10 0 DGAERO CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000079121437 185159674 /nfs/dbraw/zinc/15/96/74/185159674.db2.gz LBLUWCLDULJCEZ-GFCCVEGCSA-N 1 0 316.376 3.045 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H](C)c1ccc(OC)cc1 ZINC000079253543 185162530 /nfs/dbraw/zinc/16/25/30/185162530.db2.gz TVTWYHAKLPSNFD-HUUCEWRRSA-N 1 0 321.465 3.128 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)s1 ZINC000313436944 231124033 /nfs/dbraw/zinc/12/40/33/231124033.db2.gz AEVAHGXQXBHQMP-ZDUSSCGKSA-N 1 0 312.504 3.294 10 0 DGAERO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cnccn1 ZINC000310470068 231112899 /nfs/dbraw/zinc/11/28/99/231112899.db2.gz BCSQWHFNJRZDRT-WZGPROSRSA-N 1 0 322.456 3.038 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1sccc1Br ZINC000082994975 185210788 /nfs/dbraw/zinc/21/07/88/185210788.db2.gz OTBUKWPMTXWANK-MWLCHTKSSA-N 1 0 304.253 3.151 10 0 DGAERO O[C@@H]1CCCCC[C@@H]1[NH2+]Cc1sccc1Br ZINC000087575551 185228795 /nfs/dbraw/zinc/22/87/95/185228795.db2.gz XSFJIYNYCRMHHF-WDEREUQCSA-N 1 0 304.253 3.294 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181325389 199281863 /nfs/dbraw/zinc/28/18/63/199281863.db2.gz VXBCULPBUKSXGU-OAHLLOKOSA-N 1 0 309.413 3.022 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cnc(C)s2)C1 ZINC000090419302 185295276 /nfs/dbraw/zinc/29/52/76/185295276.db2.gz VECOUFIXAABDMD-JSGCOSHPSA-N 1 0 317.458 3.390 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cnc(C)s2)C1 ZINC000090419301 185295298 /nfs/dbraw/zinc/29/52/98/185295298.db2.gz VECOUFIXAABDMD-OCCSQVGLSA-N 1 0 317.458 3.390 10 0 DGAERO CCCOc1ccc(C=O)c(OCC[NH+]2CCCCC2)c1C ZINC000090449042 185297028 /nfs/dbraw/zinc/29/70/28/185297028.db2.gz TYEPJJWHHOKFOV-UHFFFAOYSA-N 1 0 305.418 3.461 10 0 DGAERO CCC(C)(C)c1ccc(C[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000090727227 185311274 /nfs/dbraw/zinc/31/12/74/185311274.db2.gz PBJALHVKJMRSKH-UHFFFAOYSA-N 1 0 303.450 3.007 10 0 DGAERO COc1ccc(Cl)cc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129558040 432006376 /nfs/dbraw/zinc/00/63/76/432006376.db2.gz HVFKLJZQVNBWKF-UHFFFAOYSA-N 1 0 324.852 3.199 10 0 DGAERO COc1ccc2ccccc2c1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647637 185331205 /nfs/dbraw/zinc/33/12/05/185331205.db2.gz XCYXDVUIUOWJLT-UHFFFAOYSA-N 1 0 322.412 3.277 10 0 DGAERO c1nc(C2CCCC2)sc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092616031 185329453 /nfs/dbraw/zinc/32/94/53/185329453.db2.gz JPWBAXRTPDNTAG-OAHLLOKOSA-N 1 0 305.491 3.471 10 0 DGAERO c1cncc(-c2cccc(CN3CC[N@@H+]4CCCC[C@@H]4C3)c2)c1 ZINC000092616074 185329579 /nfs/dbraw/zinc/32/95/79/185329579.db2.gz IFNKBKHEPIPVJT-HXUWFJFHSA-N 1 0 307.441 3.419 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1cccnc1 ZINC000092767259 185339165 /nfs/dbraw/zinc/33/91/65/185339165.db2.gz FFSYPQGTWJKDMC-OCCSQVGLSA-N 1 0 303.356 3.289 10 0 DGAERO CCc1nn(C)c(Cl)c1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000092785530 185340813 /nfs/dbraw/zinc/34/08/13/185340813.db2.gz ZGDBTAPVWLKWLR-CQSZACIVSA-N 1 0 324.900 3.086 10 0 DGAERO CCCn1nc(C)c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000092785522 185340996 /nfs/dbraw/zinc/34/09/96/185340996.db2.gz GFZCMUPOFZESNT-GOSISDBHSA-N 1 0 318.509 3.360 10 0 DGAERO Cc1ccsc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000092754949 185338150 /nfs/dbraw/zinc/33/81/50/185338150.db2.gz ONBQWSNDQJEFIW-AWEZNQCLSA-N 1 0 308.491 3.429 10 0 DGAERO CCOc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812388 185343532 /nfs/dbraw/zinc/34/35/32/185343532.db2.gz LHSCIYAMPNERRE-KRWDZBQOSA-N 1 0 311.429 3.414 10 0 DGAERO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000295574088 282262195 /nfs/dbraw/zinc/26/21/95/282262195.db2.gz AXIMEADYFWXRIL-KRWDZBQOSA-N 1 0 305.372 3.482 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000092849240 185346308 /nfs/dbraw/zinc/34/63/08/185346308.db2.gz DCVHAVXRNDIIEV-RDJZCZTQSA-N 1 0 318.804 3.303 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(F)cc3C)C2)no1 ZINC000092814058 185343195 /nfs/dbraw/zinc/34/31/95/185343195.db2.gz DYEOVGWYBQKJHD-AWEZNQCLSA-N 1 0 303.381 3.280 10 0 DGAERO CC[N@H+](CCC(=O)OCc1ccccc1)CCc1nccs1 ZINC000181494466 199305944 /nfs/dbraw/zinc/30/59/44/199305944.db2.gz ICIUUOIUPWERQD-UHFFFAOYSA-N 1 0 318.442 3.141 10 0 DGAERO Cc1cc2ncc([C@@H](C)[NH2+]CCCc3ccccn3)c(C)n2n1 ZINC000181497600 199307217 /nfs/dbraw/zinc/30/72/17/199307217.db2.gz ICJSJGGKSNEEJK-CQSZACIVSA-N 1 0 309.417 3.025 10 0 DGAERO Cc1ccc(CC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000181528764 199311582 /nfs/dbraw/zinc/31/15/82/199311582.db2.gz NDSKZFFJAKJHOI-HUUCEWRRSA-N 1 0 320.502 3.368 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C12CCCC2 ZINC000181566410 199319030 /nfs/dbraw/zinc/31/90/30/199319030.db2.gz MGNRSACVIGNPLX-IAGOWNOFSA-N 1 0 307.409 3.145 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000181541910 199314604 /nfs/dbraw/zinc/31/46/04/199314604.db2.gz WLLBHCXIHWQLMB-NXHRZFHOSA-N 1 0 317.477 3.221 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000181541872 199314985 /nfs/dbraw/zinc/31/49/85/199314985.db2.gz WLLBHCXIHWQLMB-JQHSSLGASA-N 1 0 317.477 3.221 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1cccnc1 ZINC000181632153 199330530 /nfs/dbraw/zinc/33/05/30/199330530.db2.gz BNZQTKVEJIFKTD-WBVHZDCISA-N 1 0 314.429 3.296 10 0 DGAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3cccc(Br)c3)no2)C1 ZINC000097067741 185405795 /nfs/dbraw/zinc/40/57/95/185405795.db2.gz PYEDKQHZGADAOV-KOLCDFICSA-N 1 0 308.179 3.094 10 0 DGAERO Cc1nn(C)cc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000187776123 282298513 /nfs/dbraw/zinc/29/85/13/282298513.db2.gz AMEXNTRHASMXOC-FGTMMUONSA-N 1 0 310.445 3.051 10 0 DGAERO C[N@H+](CCCC(=O)OC(C)(C)C)CCc1ccc2c(c1)CCO2 ZINC000441395533 529880559 /nfs/dbraw/zinc/88/05/59/529880559.db2.gz RRTPEVBRIAKJST-UHFFFAOYSA-N 1 0 319.445 3.218 10 0 DGAERO COC[C@H](C)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000103394128 432008726 /nfs/dbraw/zinc/00/87/26/432008726.db2.gz CRXDSFDCNBUAPI-AWEZNQCLSA-N 1 0 304.434 3.269 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCCc3sccc32)C1 ZINC000129801170 432008785 /nfs/dbraw/zinc/00/87/85/432008785.db2.gz DJWGOEJTEABYFL-YUELXQCFSA-N 1 0 321.490 3.153 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000129911412 432010207 /nfs/dbraw/zinc/01/02/07/432010207.db2.gz BYBSCUBQZTZPTF-NEPJUHHUSA-N 1 0 315.866 3.412 10 0 DGAERO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)CC1(O)CCCCCC1 ZINC000434986095 529981994 /nfs/dbraw/zinc/98/19/94/529981994.db2.gz MJMFQNBTQFBNQL-UHFFFAOYSA-N 1 0 303.406 3.187 10 0 DGAERO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000437271246 530048155 /nfs/dbraw/zinc/04/81/55/530048155.db2.gz GMXSOPDBUMAONE-RBUKOAKNSA-N 1 0 308.425 3.154 10 0 DGAERO Cc1ccc(F)cc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107527755 185483021 /nfs/dbraw/zinc/48/30/21/185483021.db2.gz CILNUAPXSSHVQA-INIZCTEOSA-N 1 0 304.409 3.225 10 0 DGAERO O=C(Nc1ccccc1F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107723822 185490402 /nfs/dbraw/zinc/49/04/02/185490402.db2.gz WSUBUHPYPWMCEA-AWEZNQCLSA-N 1 0 305.397 3.308 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cccc(CO)c1)c1ccc(-n2cncn2)cc1 ZINC000183208700 199555178 /nfs/dbraw/zinc/55/51/78/199555178.db2.gz CCJGBEFLXLRVQH-HUUCEWRRSA-N 1 0 322.412 3.171 10 0 DGAERO CC(C)[C@@H](C)C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000129990776 432012557 /nfs/dbraw/zinc/01/25/57/432012557.db2.gz SXDDBXHJJOXAAH-NSHDSACASA-N 1 0 303.855 3.125 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc2cc(Cl)ccc2o1 ZINC000181781058 199351975 /nfs/dbraw/zinc/35/19/75/199351975.db2.gz CIHLYHSZPBTTDZ-MFKMUULPSA-N 1 0 306.793 3.358 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc2cc(Cl)ccc2o1 ZINC000181936956 199365034 /nfs/dbraw/zinc/36/50/34/199365034.db2.gz GJEBJYNNNYEJJV-GXFFZTMASA-N 1 0 316.792 3.343 10 0 DGAERO CCOc1cccc([C@@H](C)NC(=O)NC[C@@H](C)[NH+](CC)CC)c1 ZINC000068886743 190788341 /nfs/dbraw/zinc/78/83/41/190788341.db2.gz KPQZOQPGQLMJBW-HUUCEWRRSA-N 1 0 321.465 3.176 10 0 DGAERO NC(=O)[C@@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000069057640 190795477 /nfs/dbraw/zinc/79/54/77/190795477.db2.gz VQFGRMYCRLJDGF-HNNXBMFYSA-N 1 0 323.223 3.352 10 0 DGAERO C[C@@H](c1ccccc1F)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076085 432020292 /nfs/dbraw/zinc/02/02/92/432020292.db2.gz CCXDQYZVSMNXHC-LSDHHAIUSA-N 1 0 314.408 3.278 10 0 DGAERO Cc1ccc(-c2nc(C)c(C)c(N3CCC(C[NH3+])CC3)n2)cc1 ZINC000070456092 190896685 /nfs/dbraw/zinc/89/66/85/190896685.db2.gz AWAAWEHHADISMY-UHFFFAOYSA-N 1 0 310.445 3.244 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1Cc1ccc(Cl)cc1 ZINC000071668869 191002121 /nfs/dbraw/zinc/00/21/21/191002121.db2.gz ZDDFJXPOPQRIOR-AWEZNQCLSA-N 1 0 310.825 3.091 10 0 DGAERO C[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)Cc1ccccc1 ZINC000133682039 186006546 /nfs/dbraw/zinc/00/65/46/186006546.db2.gz ZOLAIRVPMWCMJK-CQSZACIVSA-N 1 0 314.395 3.482 10 0 DGAERO C[C@H]1OCC[C@@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000149364159 186049753 /nfs/dbraw/zinc/04/97/53/186049753.db2.gz INKZQSKFRBKBDT-WPSFFTEHSA-N 1 0 310.235 3.462 10 0 DGAERO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000152399012 186068942 /nfs/dbraw/zinc/06/89/42/186068942.db2.gz KZVQDMHKAGOFQW-WCQYABFASA-N 1 0 310.825 3.010 10 0 DGAERO Brc1ccc(CC[NH2+]CC2CCOCC2)s1 ZINC000155660131 186100723 /nfs/dbraw/zinc/10/07/23/186100723.db2.gz IIRXHCRWCCUQIE-UHFFFAOYSA-N 1 0 304.253 3.069 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000164269105 186153829 /nfs/dbraw/zinc/15/38/29/186153829.db2.gz VOZAXUSULWUZAZ-GXSJLCMTSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000177874547 186197412 /nfs/dbraw/zinc/19/74/12/186197412.db2.gz MSGVDRANHSJZQY-MBNYWOFBSA-N 1 0 317.458 3.047 10 0 DGAERO Cc1coc2ccc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cc12 ZINC000187996665 186240966 /nfs/dbraw/zinc/24/09/66/186240966.db2.gz YKUNBOSZMIHQME-OAHLLOKOSA-N 1 0 313.401 3.443 10 0 DGAERO CC(C)[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(F)c(F)c1 ZINC000181926729 186220009 /nfs/dbraw/zinc/22/00/09/186220009.db2.gz WNANQDMEBUENFA-MRXNPFEDSA-N 1 0 322.355 3.275 10 0 DGAERO C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000189938258 186252363 /nfs/dbraw/zinc/25/23/63/186252363.db2.gz ZGSFRFIDKQHNSK-QAPCUYQASA-N 1 0 316.445 3.079 10 0 DGAERO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@H]1c1ccccc1 ZINC000237479367 186296001 /nfs/dbraw/zinc/29/60/01/186296001.db2.gz IZABRPKHBIDENO-DNVCBOLYSA-N 1 0 308.425 3.411 10 0 DGAERO CCn1nccc1C[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000130450839 432025883 /nfs/dbraw/zinc/02/58/83/432025883.db2.gz DURRXWKVNFTILP-UHFFFAOYSA-N 1 0 313.445 3.366 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)CC2 ZINC000171981095 198020216 /nfs/dbraw/zinc/02/02/16/198020216.db2.gz BIZJJMIEAJXCMD-WFASDCNBSA-N 1 0 302.397 3.206 10 0 DGAERO C[C@H](C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000172014183 198026264 /nfs/dbraw/zinc/02/62/64/198026264.db2.gz YTNBNLVOFLRUKI-WIYYLYMNSA-N 1 0 324.468 3.141 10 0 DGAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCC2)cc1OC ZINC000172168736 198050550 /nfs/dbraw/zinc/05/05/50/198050550.db2.gz FUIKPPWABWBWFW-QWHCGFSZSA-N 1 0 320.433 3.199 10 0 DGAERO Cc1nc2ccccc2nc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172578463 198117957 /nfs/dbraw/zinc/11/79/57/198117957.db2.gz UKLKKNICVSZPBL-KRWDZBQOSA-N 1 0 324.472 3.389 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)N1CCC(C)CC1 ZINC000072553807 191191494 /nfs/dbraw/zinc/19/14/94/191191494.db2.gz ILCQPRLEUMJGAK-CHWSQXEVSA-N 1 0 310.388 3.262 10 0 DGAERO COc1c(Br)cccc1C[N@H+](C)C[C@H]1CCCO1 ZINC000172925155 198168031 /nfs/dbraw/zinc/16/80/31/198168031.db2.gz LJTSGVFHJASSAY-GFCCVEGCSA-N 1 0 314.223 3.069 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(F)c(F)cc2F)CC[N@@H+]1C ZINC000173089297 198184154 /nfs/dbraw/zinc/18/41/54/198184154.db2.gz SWWLKCGQPAIGQQ-NXEZZACHSA-N 1 0 315.339 3.050 10 0 DGAERO COc1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000067442969 432030669 /nfs/dbraw/zinc/03/06/69/432030669.db2.gz HCVOEOATKLEUAA-UHFFFAOYSA-N 1 0 322.412 3.118 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(Cl)cc1 ZINC000173391834 198210393 /nfs/dbraw/zinc/21/03/93/198210393.db2.gz OIGMWRTXWDTVSA-CZUORRHYSA-N 1 0 319.836 3.057 10 0 DGAERO CCc1csc([C@@H]2CCC[N@H+](CCC(=O)OC(C)C)C2)n1 ZINC000173603291 198231380 /nfs/dbraw/zinc/23/13/80/198231380.db2.gz SLLSPVLDCYZFIG-CYBMUJFWSA-N 1 0 310.463 3.227 10 0 DGAERO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccnc1 ZINC000173693958 198241890 /nfs/dbraw/zinc/24/18/90/198241890.db2.gz FCQCMRKQOKHPRX-MRXNPFEDSA-N 1 0 323.440 3.097 10 0 DGAERO Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000173724990 198245403 /nfs/dbraw/zinc/24/54/03/198245403.db2.gz FTSWZHJRKCXOJJ-MSOLQXFVSA-N 1 0 315.461 3.152 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccncc3)C2)c1 ZINC000174107556 198292030 /nfs/dbraw/zinc/29/20/30/198292030.db2.gz TYDMVQBFDZTFOX-NVXWUHKLSA-N 1 0 311.429 3.410 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000174137458 198296817 /nfs/dbraw/zinc/29/68/17/198296817.db2.gz HTJQLGXRCADZFV-HNNXBMFYSA-N 1 0 318.461 3.037 10 0 DGAERO C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000174225268 198308264 /nfs/dbraw/zinc/30/82/64/198308264.db2.gz NTZPGALYERMCPF-XHSDSOJGSA-N 1 0 317.477 3.058 10 0 DGAERO CS[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000174233844 198309096 /nfs/dbraw/zinc/30/90/96/198309096.db2.gz MDCLQCHIDMOXJX-NPYXIHBLSA-N 1 0 318.486 3.222 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000174326136 198320109 /nfs/dbraw/zinc/32/01/09/198320109.db2.gz QAAFNXXZWDQCAV-ZJUUUORDSA-N 1 0 315.339 3.050 10 0 DGAERO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000174536832 198348814 /nfs/dbraw/zinc/34/88/14/198348814.db2.gz UTDDWPUJAQVRPK-LNRIEFBSSA-N 1 0 301.434 3.062 10 0 DGAERO CCn1cc(C2CC[NH+](C[C@@H](O)c3ccc(C)cc3)CC2)cn1 ZINC000174765333 198381673 /nfs/dbraw/zinc/38/16/73/198381673.db2.gz BHJLHUZOTIPSGL-LJQANCHMSA-N 1 0 313.445 3.124 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)c3cccc(Cl)c3)C2)c1 ZINC000174785949 198385721 /nfs/dbraw/zinc/38/57/21/198385721.db2.gz NVUKOZYUQXGVDS-IRXDYDNUSA-N 1 0 319.836 3.215 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)CC(C)C ZINC000174826299 198390493 /nfs/dbraw/zinc/39/04/93/198390493.db2.gz BAMRKGLNVVYGHZ-DOTOQJQBSA-N 1 0 305.466 3.058 10 0 DGAERO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(Cl)cn1)c1ccccc1 ZINC000182168054 199397399 /nfs/dbraw/zinc/39/73/99/199397399.db2.gz PYRILMGXWDQKSG-MRXNPFEDSA-N 1 0 317.820 3.044 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)Cc1cccc2c1OCCO2 ZINC000179056761 432035471 /nfs/dbraw/zinc/03/54/71/432035471.db2.gz MTRPPVSGYUMJBI-UHFFFAOYSA-N 1 0 318.442 3.367 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1csc(-c2ccco2)n1 ZINC000175360701 198466245 /nfs/dbraw/zinc/46/62/45/198466245.db2.gz RYHIJUSDCVVRGL-CQSZACIVSA-N 1 0 305.447 3.319 10 0 DGAERO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000183521637 199607764 /nfs/dbraw/zinc/60/77/64/199607764.db2.gz PRGLZCYTOJZJMC-SMDDNHRTSA-N 1 0 310.463 3.446 10 0 DGAERO CCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236775051 202003174 /nfs/dbraw/zinc/00/31/74/202003174.db2.gz GTRWMBJCVVNPNA-JQFCIGGWSA-N 1 0 302.418 3.335 10 0 DGAERO CC(C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236773285 202003185 /nfs/dbraw/zinc/00/31/85/202003185.db2.gz IYQISHNLHHIYGF-NVXWUHKLSA-N 1 0 318.461 3.245 10 0 DGAERO CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000236790224 202010418 /nfs/dbraw/zinc/01/04/18/202010418.db2.gz CUVCZWQSNVYGSP-NWDGAFQWSA-N 1 0 315.244 3.213 10 0 DGAERO CCC(CC)(C[NH3+])NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000236801926 202017207 /nfs/dbraw/zinc/01/72/07/202017207.db2.gz HJDNHAMPTRPGIO-UHFFFAOYSA-N 1 0 304.365 3.333 10 0 DGAERO CC[C@H](CCO)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000131880696 432041449 /nfs/dbraw/zinc/04/14/49/432041449.db2.gz NKTPCAMPYBUTAS-TZMCWYRMSA-N 1 0 301.377 3.360 10 0 DGAERO OCC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000067825631 432042095 /nfs/dbraw/zinc/04/20/95/432042095.db2.gz LSOHKJUAPARCIM-INIZCTEOSA-N 1 0 304.365 3.218 10 0 DGAERO Clc1sc(C[NH2+][C@@H]2CCCOC2)cc1Br ZINC000276994692 213227239 /nfs/dbraw/zinc/22/72/39/213227239.db2.gz XEUYOPKRLMCRPJ-SSDOTTSWSA-N 1 0 310.644 3.433 10 0 DGAERO CC(C)c1csc([C@H]2CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C2)n1 ZINC000236812739 202021234 /nfs/dbraw/zinc/02/12/34/202021234.db2.gz QQQQKJKRZBQMGN-GXTWGEPZSA-N 1 0 323.506 3.346 10 0 DGAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000236810827 202022153 /nfs/dbraw/zinc/02/21/53/202022153.db2.gz BYDKEPHEYBPMSY-OAHLLOKOSA-N 1 0 315.442 3.440 10 0 DGAERO CCc1cc(C)c(C(=O)N(CC[NH+](C)C)Cc2cccs2)o1 ZINC000132100787 432045157 /nfs/dbraw/zinc/04/51/57/432045157.db2.gz JVHWSWSMRBKXDB-UHFFFAOYSA-N 1 0 320.458 3.416 10 0 DGAERO CCC[C@H]([NH3+])C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000236815871 202022958 /nfs/dbraw/zinc/02/29/58/202022958.db2.gz VGTJVSLQPKTLHN-ZDUSSCGKSA-N 1 0 323.506 3.274 10 0 DGAERO CCc1nc(-c2cccc(Cl)c2)nc(N2CC[NH2+]CC2)c1C ZINC000073662819 191339243 /nfs/dbraw/zinc/33/92/43/191339243.db2.gz KIZCJXCBNRQWRW-UHFFFAOYSA-N 1 0 316.836 3.077 10 0 DGAERO Clc1nc2c3ccccc3[nH]c2c(NCC2CC[NH2+]CC2)n1 ZINC000073736424 191348943 /nfs/dbraw/zinc/34/89/43/191348943.db2.gz AZVRXAQLROWBHO-UHFFFAOYSA-N 1 0 315.808 3.176 10 0 DGAERO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCC2=CCCC2)C1 ZINC000164179054 432046234 /nfs/dbraw/zinc/04/62/34/432046234.db2.gz KBZULBGRHCHRRP-INIZCTEOSA-N 1 0 307.482 3.298 10 0 DGAERO Cc1ccc(CCCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000164554058 432048378 /nfs/dbraw/zinc/04/83/78/432048378.db2.gz BQVWERRLDVILRB-MOPGFXCFSA-N 1 0 314.473 3.260 10 0 DGAERO Cc1ccc(CCCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000164553923 432049292 /nfs/dbraw/zinc/04/92/92/432049292.db2.gz BQVWERRLDVILRB-OALUTQOASA-N 1 0 314.473 3.260 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)C1 ZINC000164495821 432049363 /nfs/dbraw/zinc/04/93/63/432049363.db2.gz FZOPOHLZXPRUFC-RYUDHWBXSA-N 1 0 324.384 3.279 10 0 DGAERO COc1cccc2cc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)oc21 ZINC000164654579 432049896 /nfs/dbraw/zinc/04/98/96/432049896.db2.gz DHORABQZIQJBRO-SMDDFHAHSA-N 1 0 309.431 3.249 10 0 DGAERO Cc1ccccc1C(=O)NC1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000177256107 198695076 /nfs/dbraw/zinc/69/50/76/198695076.db2.gz OXFBIYDMOMYOMI-MRXNPFEDSA-N 1 0 323.440 3.345 10 0 DGAERO CCOC(=O)[C@H](C)[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000005326229 181229340 /nfs/dbraw/zinc/22/93/40/181229340.db2.gz XNRDOQIPNIPDIP-HNNXBMFYSA-N 1 0 309.389 3.101 10 0 DGAERO CCc1nc2cc(NC(=O)NC[C@@H](C)[NH+](CC)CC)ccc2o1 ZINC000079982199 191990841 /nfs/dbraw/zinc/99/08/41/191990841.db2.gz LGFPNKVWMSGFOF-GFCCVEGCSA-N 1 0 318.421 3.242 10 0 DGAERO Cc1ccccc1C1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000080718702 192186381 /nfs/dbraw/zinc/18/63/81/192186381.db2.gz BOCWRFGBUSPTAD-ALOPSCKCSA-N 1 0 312.457 3.158 10 0 DGAERO Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCCc4c3cnn4C)c21 ZINC000165273716 432054604 /nfs/dbraw/zinc/05/46/04/432054604.db2.gz WVSYBQQHGODETR-MRXNPFEDSA-N 1 0 308.429 3.420 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)CSc2ccccc2C)C1 ZINC000081335111 192252698 /nfs/dbraw/zinc/25/26/98/192252698.db2.gz GAGRBAPRRRJERO-INIZCTEOSA-N 1 0 320.502 3.277 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H]1c1ccccc1 ZINC000179383123 432056782 /nfs/dbraw/zinc/05/67/82/432056782.db2.gz MBBMSJIBOLLPDC-SJORKVTESA-N 1 0 301.434 3.064 10 0 DGAERO Cc1cnn(CCCCC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000081568567 192292771 /nfs/dbraw/zinc/29/27/71/192292771.db2.gz SAUDJVYEOWKHCE-HNNXBMFYSA-N 1 0 309.454 3.024 10 0 DGAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000179452506 432059124 /nfs/dbraw/zinc/05/91/24/432059124.db2.gz NMGFQZCOQYKBRZ-PBHICJAKSA-N 1 0 306.450 3.381 10 0 DGAERO CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179471875 432059274 /nfs/dbraw/zinc/05/92/74/432059274.db2.gz RVAYDFGJXPYQHK-HZPDHXFCSA-N 1 0 303.450 3.310 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000179452442 432059645 /nfs/dbraw/zinc/05/96/45/432059645.db2.gz NMGFQZCOQYKBRZ-YOEHRIQHSA-N 1 0 306.450 3.381 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000236903981 202062445 /nfs/dbraw/zinc/06/24/45/202062445.db2.gz FBXMNBFUPMMWPG-ZUZCIYMTSA-N 1 0 320.824 3.146 10 0 DGAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000236923913 202072809 /nfs/dbraw/zinc/07/28/09/202072809.db2.gz FBXMNBFUPMMWPG-BONVTDFDSA-N 1 0 320.824 3.146 10 0 DGAERO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237010608 202120094 /nfs/dbraw/zinc/12/00/94/202120094.db2.gz BQMAMTOCUNLYHF-YQQAZPJKSA-N 1 0 318.461 3.306 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cnn(C(C)C)c1 ZINC000179540870 432061615 /nfs/dbraw/zinc/06/16/15/432061615.db2.gz KZASOLKOKBXDHO-MRXNPFEDSA-N 1 0 301.438 3.151 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)s1 ZINC000166641096 432062415 /nfs/dbraw/zinc/06/24/15/432062415.db2.gz WLDIDDOLDOZIBG-KBPBESRZSA-N 1 0 318.490 3.364 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])c2ccccc2)cc1F ZINC000237184472 202181021 /nfs/dbraw/zinc/18/10/21/202181021.db2.gz ULHOOPSGDQLFPF-WBMJQRKESA-N 1 0 316.376 3.102 10 0 DGAERO COc1cc(C[N@H+](C)Cc2ccc(F)cc2)cc2c1OCCO2 ZINC000179646388 432065521 /nfs/dbraw/zinc/06/55/21/432065521.db2.gz ASDXTXKUZMIJCM-UHFFFAOYSA-N 1 0 317.360 3.238 10 0 DGAERO C[C@H](F)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000564076120 315155381 /nfs/dbraw/zinc/15/53/81/315155381.db2.gz HWTOXMDHKWBXTA-UWVGGRQHSA-N 1 0 310.196 3.071 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000168469074 432068447 /nfs/dbraw/zinc/06/84/47/432068447.db2.gz QZYNTUVMJLRPOM-NWDGAFQWSA-N 1 0 313.438 3.459 10 0 DGAERO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)NC(C)(C)CC ZINC000179749365 432068908 /nfs/dbraw/zinc/06/89/08/432068908.db2.gz CXZYODLJQYAJRV-HNNXBMFYSA-N 1 0 306.450 3.431 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000179834277 432071907 /nfs/dbraw/zinc/07/19/07/432071907.db2.gz QXXRAOGMISXSDR-MAUKXSAKSA-N 1 0 324.428 3.178 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000179403197 199029137 /nfs/dbraw/zinc/02/91/37/199029137.db2.gz GFCWIFCYZSIEOL-KSSFIOAISA-N 1 0 314.429 3.145 10 0 DGAERO CCCC[N@H+](CCO)Cc1cccc(OCc2ccccn2)c1 ZINC000179529902 199050588 /nfs/dbraw/zinc/05/05/88/199050588.db2.gz HFXVQRIMFGFMAB-UHFFFAOYSA-N 1 0 314.429 3.255 10 0 DGAERO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185011750 199795419 /nfs/dbraw/zinc/79/54/19/199795419.db2.gz GQCVASWJXUEXGR-XNJGSVPQSA-N 1 0 300.406 3.228 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000180055995 199113153 /nfs/dbraw/zinc/11/31/53/199113153.db2.gz CUABHXZJPRFULT-CQSZACIVSA-N 1 0 302.397 3.125 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1F ZINC000180156675 199123695 /nfs/dbraw/zinc/12/36/95/199123695.db2.gz CTEFTKPYYNBXHJ-WMLDXEAASA-N 1 0 314.408 3.325 10 0 DGAERO CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180584164 199179414 /nfs/dbraw/zinc/17/94/14/199179414.db2.gz KEKCKJDMXQRNOD-UKRRQHHQSA-N 1 0 316.474 3.444 10 0 DGAERO CCCn1nc(C)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1C ZINC000179959276 432075714 /nfs/dbraw/zinc/07/57/14/432075714.db2.gz WHEYDQKQAOSXFB-HNNXBMFYSA-N 1 0 321.465 3.074 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(SC(F)F)cc1 ZINC000180597369 199182041 /nfs/dbraw/zinc/18/20/41/199182041.db2.gz ZGIVQNBNNRCQPT-ZYHUDNBSSA-N 1 0 324.400 3.258 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000237383923 202250158 /nfs/dbraw/zinc/25/01/58/202250158.db2.gz OLIVGEHBIOHLSS-DOMZBBRYSA-N 1 0 316.376 3.428 10 0 DGAERO CCCc1csc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000180670025 199194114 /nfs/dbraw/zinc/19/41/14/199194114.db2.gz FNVFUHKLJIXOPY-AWEZNQCLSA-N 1 0 322.478 3.188 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000180041602 432077412 /nfs/dbraw/zinc/07/74/12/432077412.db2.gz QWLBHYMSITXNRO-JSGCOSHPSA-N 1 0 320.868 3.362 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1=CCOCC1 ZINC000397893785 293849608 /nfs/dbraw/zinc/84/96/08/293849608.db2.gz UCYVWHTUIYQZSH-GFCCVEGCSA-N 1 0 310.235 3.316 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)ccc1O ZINC000180074231 432077512 /nfs/dbraw/zinc/07/75/12/432077512.db2.gz MBEPNUZVVOCMJM-ZDUSSCGKSA-N 1 0 304.415 3.237 10 0 DGAERO Cc1ccc(F)cc1C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000180113641 432078089 /nfs/dbraw/zinc/07/80/89/432078089.db2.gz GLTAEYPGLKSJIS-UHFFFAOYSA-N 1 0 301.409 3.322 10 0 DGAERO CC(C)NC(=O)CC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180075157 432078142 /nfs/dbraw/zinc/07/81/42/432078142.db2.gz ZBQIZKCAIXKBTR-UHFFFAOYSA-N 1 0 322.452 3.379 10 0 DGAERO Cc1cccc(CCC[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000181091277 199251569 /nfs/dbraw/zinc/25/15/69/199251569.db2.gz LBPBZQHLCLXYPT-UHFFFAOYSA-N 1 0 324.472 3.318 10 0 DGAERO CCn1cnnc1C1CC[NH+](CCCc2cccc(C)c2)CC1 ZINC000181102482 199252505 /nfs/dbraw/zinc/25/25/05/199252505.db2.gz JVGLDBKIORCPGQ-UHFFFAOYSA-N 1 0 312.461 3.419 10 0 DGAERO C[C@H](CCCc1ccccc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000180106405 432078535 /nfs/dbraw/zinc/07/85/35/432078535.db2.gz NVVNDLNFRUPYDZ-QGZVFWFLSA-N 1 0 314.473 3.342 10 0 DGAERO CC[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccc(OC)cc1 ZINC000181180361 199260874 /nfs/dbraw/zinc/26/08/74/199260874.db2.gz RMRJDIAULWYFBB-AEFFLSMTSA-N 1 0 318.461 3.132 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c(C)nn1C ZINC000180151435 432079705 /nfs/dbraw/zinc/07/97/05/432079705.db2.gz ZKHUHRAWBVKTJL-KRWDZBQOSA-N 1 0 313.445 3.334 10 0 DGAERO Fc1ccccc1[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CCCC1 ZINC000180167045 432080340 /nfs/dbraw/zinc/08/03/40/432080340.db2.gz FGWGOCYYXPNCBU-RDTXWAMCSA-N 1 0 314.408 3.253 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000170778566 432080715 /nfs/dbraw/zinc/08/07/15/432080715.db2.gz UHWQZKROAFMZKY-WMLDXEAASA-N 1 0 302.443 3.230 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C12CCOCC2 ZINC000186323343 199943577 /nfs/dbraw/zinc/94/35/77/199943577.db2.gz UACOGBVIXCEJKY-HZPDHXFCSA-N 1 0 311.372 3.029 10 0 DGAERO CC(C)C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170826264 432083317 /nfs/dbraw/zinc/08/33/17/432083317.db2.gz PDPGBYRDTMBIQU-DLBZAZTESA-N 1 0 303.450 3.119 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000186743011 200002627 /nfs/dbraw/zinc/00/26/27/200002627.db2.gz GLSSBGHCAJNKBY-BXUZGUMPSA-N 1 0 318.417 3.282 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000186778778 200008968 /nfs/dbraw/zinc/00/89/68/200008968.db2.gz MQPAOLPTWHSYAX-SUMWQHHRSA-N 1 0 314.454 3.046 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000186778762 200009044 /nfs/dbraw/zinc/00/90/44/200009044.db2.gz MQPAOLPTWHSYAX-CXAGYDPISA-N 1 0 314.454 3.046 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000186757630 200005535 /nfs/dbraw/zinc/00/55/35/200005535.db2.gz ZWHDZVVXBDZNQZ-GDBMZVCRSA-N 1 0 318.486 3.206 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000170858093 432084923 /nfs/dbraw/zinc/08/49/23/432084923.db2.gz HLWMZHWRICMMMP-CQSZACIVSA-N 1 0 318.417 3.330 10 0 DGAERO CC(C)Oc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000187816566 200160821 /nfs/dbraw/zinc/16/08/21/200160821.db2.gz UWYLHCIVLNBKGV-TZMCWYRMSA-N 1 0 324.852 3.213 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2nccnc2C)cc1OC ZINC000187982124 200185982 /nfs/dbraw/zinc/18/59/82/200185982.db2.gz KQCKTNYIORKGEO-JSGCOSHPSA-N 1 0 315.417 3.084 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237632053 202311165 /nfs/dbraw/zinc/31/11/65/202311165.db2.gz ZUQXLOPWGUMOON-OALUTQOASA-N 1 0 312.457 3.089 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000188248642 200216506 /nfs/dbraw/zinc/21/65/06/200216506.db2.gz NYDAASNFMPEYCQ-SFHVURJKSA-N 1 0 311.429 3.468 10 0 DGAERO C[NH+](C)C1CCN(C(=O)C(C)(C)c2ccccc2Cl)CC1 ZINC000170903920 432086519 /nfs/dbraw/zinc/08/65/19/432086519.db2.gz GQOHAHDFZSLYGP-UHFFFAOYSA-N 1 0 308.853 3.170 10 0 DGAERO Cc1ccc(-c2csc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)n2)cc1C ZINC000237741152 202344748 /nfs/dbraw/zinc/34/47/48/202344748.db2.gz LAZMXZFTDOAHLO-ZIAGYGMSSA-N 1 0 315.442 3.493 10 0 DGAERO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000188687859 200287581 /nfs/dbraw/zinc/28/75/81/200287581.db2.gz LMJGREAECVVPMM-LBPRGKRZSA-N 1 0 308.422 3.119 10 0 DGAERO CC[C@H](C)[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000170915850 432087111 /nfs/dbraw/zinc/08/71/11/432087111.db2.gz SQPGYHWYPNAMQL-QWRGUYRKSA-N 1 0 306.233 3.463 10 0 DGAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1cccc(-n2ccnc2)c1 ZINC000189915795 200469435 /nfs/dbraw/zinc/46/94/35/200469435.db2.gz LUHGARSGVSARET-KPOBHBOGSA-N 1 0 319.408 3.181 10 0 DGAERO CCC[N@@H+](Cc1cn2c(cccc2C)n1)C[C@H]1CCCCO1 ZINC000170957928 432089650 /nfs/dbraw/zinc/08/96/50/432089650.db2.gz CAMHYKJVMHRDOT-QGZVFWFLSA-N 1 0 301.434 3.424 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000134926621 432090407 /nfs/dbraw/zinc/09/04/07/432090407.db2.gz YJWUVUCSTSSMPA-UONOGXRCSA-N 1 0 303.454 3.272 10 0 DGAERO c1ccc2c(c1)CO[C@@]21CCC[N@@H+](CCC2CCOCC2)C1 ZINC000432804171 238136686 /nfs/dbraw/zinc/13/66/86/238136686.db2.gz KAUNFGWIDJGPDS-LJQANCHMSA-N 1 0 301.430 3.325 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C)c2C)[C@@H](C)C1 ZINC000246072442 432091854 /nfs/dbraw/zinc/09/18/54/432091854.db2.gz SHRRUJPTXWWMBK-WMLDXEAASA-N 1 0 303.450 3.497 10 0 DGAERO CCc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000191370025 200682991 /nfs/dbraw/zinc/68/29/91/200682991.db2.gz AUNNXVONPLPRTC-MRXNPFEDSA-N 1 0 316.445 3.045 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(CC)nn3C2)s1 ZINC000180626231 432092453 /nfs/dbraw/zinc/09/24/53/432092453.db2.gz DTNZMACOUXJXJL-RYUDHWBXSA-N 1 0 304.463 3.130 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180640117 432093027 /nfs/dbraw/zinc/09/30/27/432093027.db2.gz SMJBCVWHTHFUPC-YPMHNXCESA-N 1 0 319.478 3.140 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC(C)(C)Cc3occc31)CC2 ZINC000180627573 432093130 /nfs/dbraw/zinc/09/31/30/432093130.db2.gz GYYGVPIDGWTOHQ-JSGCOSHPSA-N 1 0 314.433 3.052 10 0 DGAERO c1cc(-c2ccc(CN3CCC([NH+]4CCCCC4)CC3)o2)n[nH]1 ZINC000435131121 238277004 /nfs/dbraw/zinc/27/70/04/238277004.db2.gz XZSMPBYONOTRDO-UHFFFAOYSA-N 1 0 314.433 3.120 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nc(C(C)C)nn3C1)CC2 ZINC000180640206 432094210 /nfs/dbraw/zinc/09/42/10/432094210.db2.gz KCMWSJQWRSJTTF-RDJZCZTQSA-N 1 0 310.445 3.302 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180645720 432094585 /nfs/dbraw/zinc/09/45/85/432094585.db2.gz NDZGOUVUDZLNNC-CHWSQXEVSA-N 1 0 304.463 3.437 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000180661172 432095286 /nfs/dbraw/zinc/09/52/86/432095286.db2.gz QPACIIDBRFMELD-HNNXBMFYSA-N 1 0 320.396 3.162 10 0 DGAERO O=C1CCCCN1CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436236363 238420007 /nfs/dbraw/zinc/42/00/07/238420007.db2.gz FGZWJXIDRMIUCB-QZTJIDSGSA-N 1 0 300.446 3.315 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180645780 432095424 /nfs/dbraw/zinc/09/54/24/432095424.db2.gz NDZGOUVUDZLNNC-STQMWFEESA-N 1 0 304.463 3.437 10 0 DGAERO COC(=O)c1coc(C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)c1 ZINC000171037061 432095587 /nfs/dbraw/zinc/09/55/87/432095587.db2.gz ASBHGWZBARCIRV-GFCCVEGCSA-N 1 0 320.414 3.211 10 0 DGAERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc(Br)o1 ZINC000275810377 212548548 /nfs/dbraw/zinc/54/85/48/212548548.db2.gz ZKTXDVVNEBMWBH-LLVKDONJSA-N 1 0 323.190 3.310 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000193177530 201003036 /nfs/dbraw/zinc/00/30/36/201003036.db2.gz ZJRJONGCHHVHPW-SFYZADRCSA-N 1 0 307.196 3.437 10 0 DGAERO COc1ccc(NC(=O)CC[C@H](C)[NH3+])cc1Cc1ccccc1 ZINC000193183254 201003864 /nfs/dbraw/zinc/00/38/64/201003864.db2.gz UFIUOVXWPXIJDN-AWEZNQCLSA-N 1 0 312.413 3.352 10 0 DGAERO Cc1c(NC(=O)CC[C@@H](C)[NH3+])cccc1OCC(F)(F)F ZINC000193235712 201011117 /nfs/dbraw/zinc/01/11/17/201011117.db2.gz PLSSHEFJTFASGY-SECBINFHSA-N 1 0 304.312 3.002 10 0 DGAERO Cc1c(NC(=O)CC[C@H](C)[NH3+])cccc1OCC(F)(F)F ZINC000193235725 201011288 /nfs/dbraw/zinc/01/12/88/201011288.db2.gz PLSSHEFJTFASGY-VIFPVBQESA-N 1 0 304.312 3.002 10 0 DGAERO C[C@H]([NH3+])CCC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000193249192 201013282 /nfs/dbraw/zinc/01/32/82/201013282.db2.gz AAFLCWKOIMISFL-AWEZNQCLSA-N 1 0 306.475 3.335 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000193282258 201018717 /nfs/dbraw/zinc/01/87/17/201018717.db2.gz NHSYURZNUQCAOH-VXGBXAGGSA-N 1 0 316.367 3.443 10 0 DGAERO C[C@H](CCNC(=O)CC[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000193282282 201019044 /nfs/dbraw/zinc/01/90/44/201019044.db2.gz NHSYURZNUQCAOH-NEPJUHHUSA-N 1 0 316.367 3.443 10 0 DGAERO CC1(NC(=O)c2cccc(OCc3ccccc3)c2)CC[NH2+]CC1 ZINC000193375183 201040405 /nfs/dbraw/zinc/04/04/05/201040405.db2.gz SHCZBFFXHHKGKS-UHFFFAOYSA-N 1 0 324.424 3.138 10 0 DGAERO CC(C)Sc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000058863513 283652196 /nfs/dbraw/zinc/65/21/96/283652196.db2.gz KLEDQVGJGOTBHL-UHFFFAOYSA-N 1 0 306.475 3.353 10 0 DGAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1COc1ccccc1 ZINC000193612231 201086032 /nfs/dbraw/zinc/08/60/32/201086032.db2.gz VCUOPVLMXXSCJN-BEFAXECRSA-N 1 0 324.424 3.136 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cc(Br)cs1 ZINC000193995029 201158515 /nfs/dbraw/zinc/15/85/15/201158515.db2.gz VYSIGVRMXZZVHG-ONGXEEELSA-N 1 0 303.269 3.255 10 0 DGAERO CC(C)Cc1ncc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000246122701 432097281 /nfs/dbraw/zinc/09/72/81/432097281.db2.gz KKOHSBQKSXBOMD-GOEBONIOSA-N 1 0 307.507 3.258 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC000246117074 432097430 /nfs/dbraw/zinc/09/74/30/432097430.db2.gz IDRHSYYBQSLSMC-FAHTYWLASA-N 1 0 307.482 3.126 10 0 DGAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000194184743 201193592 /nfs/dbraw/zinc/19/35/92/201193592.db2.gz VTEUACNPZMYWJJ-UHFFFAOYSA-N 1 0 322.330 3.307 10 0 DGAERO C[N@H+](Cc1sccc1Cl)[C@@H]1CCCN(c2cccnn2)C1 ZINC000194382842 201215594 /nfs/dbraw/zinc/21/55/94/201215594.db2.gz KJKFZHZCXLAJLP-GFCCVEGCSA-N 1 0 322.865 3.292 10 0 DGAERO CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)C[C@@H](O)C(F)(F)F ZINC000189869808 432098555 /nfs/dbraw/zinc/09/85/55/432098555.db2.gz OHZUZFMTQAEBJG-CYBMUJFWSA-N 1 0 305.340 3.057 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2COc3ccccc3O2)C1 ZINC000442641051 239104311 /nfs/dbraw/zinc/10/43/11/239104311.db2.gz CAXGNZNDKHOOSZ-KBPBESRZSA-N 1 0 320.392 3.065 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194913520 201310130 /nfs/dbraw/zinc/31/01/30/201310130.db2.gz AQXYTRSWSJBVJL-GOEBONIOSA-N 1 0 312.413 3.330 10 0 DGAERO CC(C)[C@H]1C[N@H+](Cc2ccc3c(c2)sc(=O)n3C)CCS1 ZINC000195041452 201329849 /nfs/dbraw/zinc/32/98/49/201329849.db2.gz NXYXIVWSURIYOP-OAHLLOKOSA-N 1 0 322.499 3.173 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000443639923 239221360 /nfs/dbraw/zinc/22/13/60/239221360.db2.gz HPSSDNHGIGYRNJ-CQSZACIVSA-N 1 0 319.392 3.314 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000195183939 201354320 /nfs/dbraw/zinc/35/43/20/201354320.db2.gz QWADDVDYVNSMES-KBXCAEBGSA-N 1 0 319.449 3.379 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000171071626 432099648 /nfs/dbraw/zinc/09/96/48/432099648.db2.gz VFYVZOQOQSLRDE-KRWDZBQOSA-N 1 0 321.424 3.426 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000171067669 432099938 /nfs/dbraw/zinc/09/99/38/432099938.db2.gz PQGWLEZAQOTBRL-LLVKDONJSA-N 1 0 315.389 3.169 10 0 DGAERO CCOC[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000246146904 432100122 /nfs/dbraw/zinc/10/01/22/432100122.db2.gz GYWVMDCLPLYWKR-KGLIPLIRSA-N 1 0 301.390 3.156 10 0 DGAERO O=C(CC[N@@H+]1CCCC12CCC2)NCc1ccccc1Cl ZINC000444783907 239355869 /nfs/dbraw/zinc/35/58/69/239355869.db2.gz LMHXKALJFDKLOQ-UHFFFAOYSA-N 1 0 306.837 3.365 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(C)=O)cc2)[C@@H](C)C1 ZINC000246030393 202558304 /nfs/dbraw/zinc/55/83/04/202558304.db2.gz NMGCEBGXTSLCLP-SUMWQHHRSA-N 1 0 317.433 3.083 10 0 DGAERO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1SC ZINC000246992873 202636907 /nfs/dbraw/zinc/63/69/07/202636907.db2.gz FHZHWWZHRXFCFK-HIFRSBDPSA-N 1 0 306.475 3.086 10 0 DGAERO O=C(C1CC[NH+](C/C=C/Cl)CC1)N1CCc2ccccc21 ZINC000135145388 432103372 /nfs/dbraw/zinc/10/33/72/432103372.db2.gz MPIPTYTWCODHEZ-YCRREMRBSA-N 1 0 304.821 3.040 10 0 DGAERO CCC[C@H](C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1)[NH+](C)C ZINC000119492995 283785339 /nfs/dbraw/zinc/78/53/39/283785339.db2.gz ZKIAJPQBXZYPSD-RCCFBDPRSA-N 1 0 318.461 3.001 10 0 DGAERO CCO[C@H](C)c1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)cs1 ZINC000246180619 432103771 /nfs/dbraw/zinc/10/37/71/432103771.db2.gz KEEQCFHVZRELNP-KBMXLJTQSA-N 1 0 323.506 3.299 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)c2ccc(F)cc2F)CC1 ZINC000074178783 283791320 /nfs/dbraw/zinc/79/13/20/283791320.db2.gz FZAFDVNPITXMEV-ZDUSSCGKSA-N 1 0 324.415 3.305 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1cccs1 ZINC000171111135 432103892 /nfs/dbraw/zinc/10/38/92/432103892.db2.gz BHPQUQWXTCXQTK-OLZOCXBDSA-N 1 0 300.427 3.377 10 0 DGAERO c1c2cccnc2oc1C[NH2+]CCCN1CCc2ccccc21 ZINC000449073258 240003902 /nfs/dbraw/zinc/00/39/02/240003902.db2.gz SAFHICCQHDEVRG-UHFFFAOYSA-N 1 0 307.397 3.370 10 0 DGAERO Cc1ncc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)s1 ZINC000449132511 240031590 /nfs/dbraw/zinc/03/15/90/240031590.db2.gz UUFVEKCUKBQFAJ-UHFFFAOYSA-N 1 0 304.415 3.293 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000449095735 240014538 /nfs/dbraw/zinc/01/45/38/240014538.db2.gz AQVVUBTXJGIKGN-KRWDZBQOSA-N 1 0 319.401 3.006 10 0 DGAERO OC[C@@H](C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000449178564 240052207 /nfs/dbraw/zinc/05/22/07/240052207.db2.gz XPICKKBLSYNWLR-HIFRSBDPSA-N 1 0 321.342 3.457 10 0 DGAERO COC[C@H]([NH2+]Cc1cc(F)cc(OC)c1)c1ccc(F)cc1 ZINC000449177290 240053202 /nfs/dbraw/zinc/05/32/02/240053202.db2.gz RUKOGGDSKQUZJL-KRWDZBQOSA-N 1 0 307.340 3.451 10 0 DGAERO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000449312266 240124585 /nfs/dbraw/zinc/12/45/85/240124585.db2.gz LZRXMOANQHPCLG-HOTGVXAUSA-N 1 0 318.461 3.081 10 0 DGAERO c1nc(CCc2ccccc2)sc1C[NH2+]CC[C@@H]1CCOC1 ZINC000449242945 240088335 /nfs/dbraw/zinc/08/83/35/240088335.db2.gz ZVQICVZDBAPXEY-MRXNPFEDSA-N 1 0 316.470 3.445 10 0 DGAERO C[C@@H](F)CC[NH2+]Cc1ccc(I)cc1 ZINC000449342396 240142496 /nfs/dbraw/zinc/14/24/96/240142496.db2.gz BGHPQUSSSYFDQW-SECBINFHSA-N 1 0 307.150 3.129 10 0 DGAERO Cc1ccccc1[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000180926665 432105854 /nfs/dbraw/zinc/10/58/54/432105854.db2.gz MLZSHBXDNHSIDF-LAUBAEHRSA-N 1 0 320.436 3.437 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000449695462 240374864 /nfs/dbraw/zinc/37/48/64/240374864.db2.gz FDBBSFYDPMLLLK-KDOFPFPSSA-N 1 0 311.429 3.162 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449719803 240381230 /nfs/dbraw/zinc/38/12/30/240381230.db2.gz HYQOEJZKFOBJFL-ZOBUZTSGSA-N 1 0 318.461 3.211 10 0 DGAERO CC(C)[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1 ZINC000091285770 193031145 /nfs/dbraw/zinc/03/11/45/193031145.db2.gz KQXBZBLTRHSSPJ-KRWDZBQOSA-N 1 0 307.401 3.149 10 0 DGAERO C[C@H]([NH2+]CC(C)(C)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091404493 193052250 /nfs/dbraw/zinc/05/22/50/193052250.db2.gz XLCXUJLXQZVNCM-ZDUSSCGKSA-N 1 0 324.490 3.201 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000180926681 432106771 /nfs/dbraw/zinc/10/67/71/432106771.db2.gz MLZSHBXDNHSIDF-UWJYYQICSA-N 1 0 320.436 3.437 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1c(F)cccc1Cl ZINC000077730461 283854350 /nfs/dbraw/zinc/85/43/50/283854350.db2.gz XWTVSWXWYRHJGE-GFCCVEGCSA-N 1 0 314.832 3.114 10 0 DGAERO CCCOc1c(CN2CCC([NH+](C)C)CC2)cccc1OCC ZINC000091670488 193088985 /nfs/dbraw/zinc/08/89/85/193088985.db2.gz DKPYCLJWOKQFBG-UHFFFAOYSA-N 1 0 320.477 3.400 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(F)cc2Cl)CCN1C ZINC000091675619 193089622 /nfs/dbraw/zinc/08/96/22/193089622.db2.gz LELPKPBEOFWSIA-OCCSQVGLSA-N 1 0 314.832 3.272 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3nccs3)C2)c1 ZINC000091726237 193098446 /nfs/dbraw/zinc/09/84/46/193098446.db2.gz DQWQQOIMNYQBCF-ZIAGYGMSSA-N 1 0 317.458 3.471 10 0 DGAERO Clc1cc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)ccn1 ZINC000091630417 193081959 /nfs/dbraw/zinc/08/19/59/193081959.db2.gz PFVZXLJVBAOSHD-CYBMUJFWSA-N 1 0 317.824 3.041 10 0 DGAERO Cc1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)s2)o1 ZINC000180967280 432107742 /nfs/dbraw/zinc/10/77/42/432107742.db2.gz BRHKKRVSENXAMM-ZDUSSCGKSA-N 1 0 316.426 3.237 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000091985218 193135667 /nfs/dbraw/zinc/13/56/67/193135667.db2.gz JHCALPSTJNJVHG-ZDUSSCGKSA-N 1 0 316.376 3.129 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000451179618 241035255 /nfs/dbraw/zinc/03/52/55/241035255.db2.gz FAOGYPBBLKESAQ-RKVPGOIHSA-N 1 0 300.446 3.121 10 0 DGAERO C[C@@H]([N@H+](C)Cc1ccc(Br)c(F)c1)C(C)(C)O ZINC000451358420 241093383 /nfs/dbraw/zinc/09/33/83/241093383.db2.gz FWDRYVFTQJLQJF-SECBINFHSA-N 1 0 304.203 3.179 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000120017023 299363344 /nfs/dbraw/zinc/36/33/44/299363344.db2.gz KHQSIEQNUWQJQU-DVOMOZLQSA-N 1 0 324.490 3.199 10 0 DGAERO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1noc(-c2ccccc2)n1)C(C)C ZINC000451612354 241189095 /nfs/dbraw/zinc/18/90/95/241189095.db2.gz MINMXTDVPGUOLV-NVXWUHKLSA-N 1 0 317.433 3.115 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C)c1Cl ZINC000246224494 432109316 /nfs/dbraw/zinc/10/93/16/432109316.db2.gz FOMUJEDGGSCLPH-KGLIPLIRSA-N 1 0 306.837 3.347 10 0 DGAERO C[C@H]1CN(C(=O)c2cc(F)ccc2Cl)CC[N@@H+](C2CC2)C1 ZINC000452178243 241342128 /nfs/dbraw/zinc/34/21/28/241342128.db2.gz YRJCFWZCHBJALX-LLVKDONJSA-N 1 0 310.800 3.035 10 0 DGAERO CO[C@H](C)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000188130773 294281290 /nfs/dbraw/zinc/28/12/90/294281290.db2.gz BWZWSVLFKCJWEI-MFKMUULPSA-N 1 0 314.223 3.287 10 0 DGAERO COC1([C@H](C)[NH2+]CCOc2ccc(C(C)C)cc2)CCOCC1 ZINC000453094206 241623310 /nfs/dbraw/zinc/62/33/10/241623310.db2.gz SCXWJVIQYGCAGW-INIZCTEOSA-N 1 0 321.461 3.363 10 0 DGAERO Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000268621056 432111175 /nfs/dbraw/zinc/11/11/75/432111175.db2.gz YCSLTOQLILYCKD-KRWDZBQOSA-N 1 0 324.424 3.047 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2CCCCCC2)C1 ZINC000455370019 242181675 /nfs/dbraw/zinc/18/16/75/242181675.db2.gz MXXGZTZQGLLYOI-KRWDZBQOSA-N 1 0 309.498 3.330 10 0 DGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000090938808 283996160 /nfs/dbraw/zinc/99/61/60/283996160.db2.gz YPRMMIVHWAAVJD-JKSUJKDBSA-N 1 0 321.424 3.444 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2Cl)C(C)C)C1 ZINC000091378179 284001084 /nfs/dbraw/zinc/00/10/84/284001084.db2.gz TVZOLMHXFGNEMA-BBRMVZONSA-N 1 0 323.868 3.431 10 0 DGAERO CC(C)Cn1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)c2ccccc21 ZINC000457360600 242732578 /nfs/dbraw/zinc/73/25/78/242732578.db2.gz HXXCJIYBRCRQCH-HNNXBMFYSA-N 1 0 313.445 3.108 10 0 DGAERO c1nc(C2CC2)sc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000092785855 284008734 /nfs/dbraw/zinc/00/87/34/284008734.db2.gz OOLWXBHVNMSTEZ-HNNXBMFYSA-N 1 0 305.491 3.471 10 0 DGAERO COc1c(C[N@H+](C)CC(C)(C)c2ccc(C)cc2)c(C)nn1C ZINC000093668676 284013712 /nfs/dbraw/zinc/01/37/12/284013712.db2.gz ZJSPEMONVRDWSH-UHFFFAOYSA-N 1 0 315.461 3.455 10 0 DGAERO c1ncc(C[NH+]2CCC(OCCc3ccccc3)CC2)s1 ZINC000092195342 193172005 /nfs/dbraw/zinc/17/20/05/193172005.db2.gz RIFSFMOULDLNCT-UHFFFAOYSA-N 1 0 302.443 3.367 10 0 DGAERO C[NH+]1CCC(CCNC(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC000101695433 284019243 /nfs/dbraw/zinc/01/92/43/284019243.db2.gz LEIUKZALIVKGOX-HXUWFJFHSA-N 1 0 314.473 3.129 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2CCCCC2)cc1F ZINC000102699476 284023674 /nfs/dbraw/zinc/02/36/74/284023674.db2.gz QVOULYZMZKBNTB-QWHCGFSZSA-N 1 0 322.424 3.322 10 0 DGAERO COc1ccc(C[NH+]2CCC(OCC(C)C)CC2)c(OC)c1 ZINC000092222960 193176233 /nfs/dbraw/zinc/17/62/33/193176233.db2.gz SNPPEDMKMYUPRD-UHFFFAOYSA-N 1 0 307.434 3.341 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000105081057 284038306 /nfs/dbraw/zinc/03/83/06/284038306.db2.gz JRDBRRZHHHVNNL-XJKSGUPXSA-N 1 0 321.852 3.281 10 0 DGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000105081061 284038315 /nfs/dbraw/zinc/03/83/15/284038315.db2.gz JRDBRRZHHHVNNL-CZUORRHYSA-N 1 0 321.852 3.281 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000458424341 243056369 /nfs/dbraw/zinc/05/63/69/243056369.db2.gz RXHZBGRLJYAXPL-IRXDYDNUSA-N 1 0 317.477 3.130 10 0 DGAERO O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249997309 202818160 /nfs/dbraw/zinc/81/81/60/202818160.db2.gz OMKQBOQWCBPOHV-HONMWMINSA-N 1 0 323.234 3.308 10 0 DGAERO Cc1ccccc1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107827010 284057722 /nfs/dbraw/zinc/05/77/22/284057722.db2.gz MQQUIAQXISIVGJ-GOSISDBHSA-N 1 0 315.461 3.155 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459159914 243269442 /nfs/dbraw/zinc/26/94/42/243269442.db2.gz ONCZFAIHPNVNOB-UHFFFAOYSA-N 1 0 317.477 3.481 10 0 DGAERO c1cc(C2CC2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000459331224 243338416 /nfs/dbraw/zinc/33/84/16/243338416.db2.gz CYVDHPXOCXEUIM-GOSISDBHSA-N 1 0 322.456 3.481 10 0 DGAERO Clc1cnn(CCN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000459348571 243344989 /nfs/dbraw/zinc/34/49/89/243344989.db2.gz YYDDXMBLBQHKBE-MRXNPFEDSA-N 1 0 324.900 3.125 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@]4(CCCOC4)C3)C2)cc1 ZINC000459358153 243348323 /nfs/dbraw/zinc/34/83/23/243348323.db2.gz MWFSMCIUJJYCIL-VQTJNVASSA-N 1 0 314.473 3.154 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@]4(CCCOC4)C3)C2)cc1 ZINC000459358143 243348363 /nfs/dbraw/zinc/34/83/63/243348363.db2.gz MWFSMCIUJJYCIL-PMACEKPBSA-N 1 0 314.473 3.154 10 0 DGAERO CCCOc1ccc(C(C)(C)[NH2+]Cc2cnnn2CC)cc1 ZINC000459454423 243377001 /nfs/dbraw/zinc/37/70/01/243377001.db2.gz YGRZJWTXIXLUNN-UHFFFAOYSA-N 1 0 302.422 3.112 10 0 DGAERO c1ccc([C@H]([NH2+]Cc2cnc(C3CC3)nc2)[C@H]2CCOC2)cc1 ZINC000459464935 243380596 /nfs/dbraw/zinc/38/05/96/243380596.db2.gz NFIJPUMRRMVOIJ-ROUUACIJSA-N 1 0 309.413 3.221 10 0 DGAERO Cc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000459426085 243365462 /nfs/dbraw/zinc/36/54/62/243365462.db2.gz ICHGUJBMCPIZNY-BBRMVZONSA-N 1 0 305.447 3.217 10 0 DGAERO CC[N@H+](CC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1)C1CC1 ZINC000246313259 432118219 /nfs/dbraw/zinc/11/82/19/432118219.db2.gz QXZXSLHSCUVJHC-ACJLOTCBSA-N 1 0 304.409 3.220 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000113229733 284100792 /nfs/dbraw/zinc/10/07/92/284100792.db2.gz HSPNLGGEWSTZKP-CZUORRHYSA-N 1 0 320.864 3.313 10 0 DGAERO CC[N@H+](CCNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1)C(C)C ZINC000465831939 243866978 /nfs/dbraw/zinc/86/69/78/243866978.db2.gz KHGMFBJBVZTSIZ-HOTGVXAUSA-N 1 0 321.465 3.493 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3)c2)CC[NH2+]1 ZINC000261549611 203075248 /nfs/dbraw/zinc/07/52/48/203075248.db2.gz KRULUXQZAHAUJA-CRAIPNDOSA-N 1 0 324.424 3.136 10 0 DGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000468113712 244022924 /nfs/dbraw/zinc/02/29/24/244022924.db2.gz QVKVBQGUQJHQEB-XXQMMXQMSA-N 1 0 312.457 3.374 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000115861158 284117360 /nfs/dbraw/zinc/11/73/60/284117360.db2.gz HOPSARQOOPRADK-XIRDDKMYSA-N 1 0 315.461 3.243 10 0 DGAERO CCC[C@@H]1CN(C(=O)[C@H]2CCCCC2(C)C)CC[N@@H+]1CCOC ZINC000469265767 244093292 /nfs/dbraw/zinc/09/32/92/244093292.db2.gz ORSKNWLNVJOMJM-IAGOWNOFSA-N 1 0 324.509 3.162 10 0 DGAERO CSc1ccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000171271922 432119560 /nfs/dbraw/zinc/11/95/60/432119560.db2.gz YILMYFXPVFJODR-MJBXVCDLSA-N 1 0 306.475 3.286 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CC(F)(F)F)C1(C)C ZINC000469718651 244118678 /nfs/dbraw/zinc/11/86/78/244118678.db2.gz VMEJBWOFVPQDAR-JHJVBQTASA-N 1 0 311.388 3.215 10 0 DGAERO Cc1nccc(N2CC[NH+](CCc3ccc(C(C)C)cc3)CC2)n1 ZINC000470313437 244164947 /nfs/dbraw/zinc/16/49/47/244164947.db2.gz LRMCKVMWJGLLJV-UHFFFAOYSA-N 1 0 324.472 3.273 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+]3CCCc4ccccc4C3)cnc2n1 ZINC000093085123 193201386 /nfs/dbraw/zinc/20/13/86/193201386.db2.gz MCMKIGUJNLEZDG-UHFFFAOYSA-N 1 0 306.413 3.295 10 0 DGAERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000470939271 244195988 /nfs/dbraw/zinc/19/59/88/244195988.db2.gz DFVHPVFTZHDIMQ-VHDGCEQUSA-N 1 0 301.352 3.253 10 0 DGAERO CO[C@H]1CC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000471821723 244254670 /nfs/dbraw/zinc/25/46/70/244254670.db2.gz SPRHJJPDQKVWDV-RDJZCZTQSA-N 1 0 319.836 3.491 10 0 DGAERO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC1(C)C ZINC000471589919 244219981 /nfs/dbraw/zinc/21/99/81/244219981.db2.gz IRYHCHIOMBGTJX-BBRMVZONSA-N 1 0 314.429 3.230 10 0 DGAERO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)CS(C)(=O)=O ZINC000119000694 284132008 /nfs/dbraw/zinc/13/20/08/284132008.db2.gz DBSVJSIXGGAZRM-NXHRZFHOSA-N 1 0 323.502 3.058 10 0 DGAERO C[C@H]1C[C@H](CC[NH+]2CCC(NC(=O)C3CC3)CC2)C[C@@H](C)C1 ZINC000246330702 432119906 /nfs/dbraw/zinc/11/99/06/432119906.db2.gz XTMGQOTVVSDGFM-ZSHCYNCHSA-N 1 0 306.494 3.439 10 0 DGAERO CC[C@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119059953 284133497 /nfs/dbraw/zinc/13/34/97/284133497.db2.gz LVPXUYZFQDMUJD-GTPINHCMSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@H](C[NH2+][C@@H](c1ccccc1)C1CCCC1)CS(C)(=O)=O ZINC000119092094 284134355 /nfs/dbraw/zinc/13/43/55/284134355.db2.gz XRIWQXJWUQBEAE-PBHICJAKSA-N 1 0 309.475 3.188 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472367288 244302097 /nfs/dbraw/zinc/30/20/97/244302097.db2.gz HUPIHLRIARIXIM-NZSAHSFTSA-N 1 0 314.473 3.341 10 0 DGAERO CC[C@]1(C)CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119134215 284135557 /nfs/dbraw/zinc/13/55/57/284135557.db2.gz XVFKYSWWCIAZAV-LEOMRAHMSA-N 1 0 309.498 3.329 10 0 DGAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)O2 ZINC000474069351 244366099 /nfs/dbraw/zinc/36/60/99/244366099.db2.gz XGNNSRGBEVJAMY-BRSBDYLESA-N 1 0 301.430 3.175 10 0 DGAERO CCCc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000119374827 284141383 /nfs/dbraw/zinc/14/13/83/284141383.db2.gz XKUGIVJQGWPSGC-WMLDXEAASA-N 1 0 303.450 3.489 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CC[C@H](C)C2)CC1 ZINC000475480559 244478749 /nfs/dbraw/zinc/47/87/49/244478749.db2.gz ULTXPJQCDIZHDF-RDJZCZTQSA-N 1 0 309.498 3.186 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(OC)c1 ZINC000246325815 432120654 /nfs/dbraw/zinc/12/06/54/432120654.db2.gz TWOVLTUTWONUPG-UAGQMJEPSA-N 1 0 303.402 3.001 10 0 DGAERO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(Cl)c1OC ZINC000093437695 193251300 /nfs/dbraw/zinc/25/13/00/193251300.db2.gz GAUKMRSDKGDWJS-GXTWGEPZSA-N 1 0 324.852 3.026 10 0 DGAERO CCCOc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1OC ZINC000093437575 193251690 /nfs/dbraw/zinc/25/16/90/193251690.db2.gz NPBABROVHGWVSR-RDJZCZTQSA-N 1 0 318.461 3.153 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC(F)F)cc2)CCN1C ZINC000093643967 193279938 /nfs/dbraw/zinc/27/99/38/193279938.db2.gz KGKCIACNKZLUGA-HIFRSBDPSA-N 1 0 312.404 3.245 10 0 DGAERO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000262707188 203388291 /nfs/dbraw/zinc/38/82/91/203388291.db2.gz MWUZZROBWGDTGC-COPLHBTASA-N 1 0 314.351 3.066 10 0 DGAERO COc1c(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c(C)nn1C ZINC000093531817 193264687 /nfs/dbraw/zinc/26/46/87/193264687.db2.gz ATVAJBAQHHYKIV-SJKOYZFVSA-N 1 0 317.408 3.459 10 0 DGAERO COc1cc(C[N@H+](C)[C@@H](C)CCSC)cc2c1OCCO2 ZINC000093558679 193266912 /nfs/dbraw/zinc/26/69/12/193266912.db2.gz NKYSTVCFZMRNBN-LBPRGKRZSA-N 1 0 311.447 3.040 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2c(Cl)nc3ccccn32)[C@H](C)C1 ZINC000093638737 193278205 /nfs/dbraw/zinc/27/82/05/193278205.db2.gz KKBJTYUWANNKRZ-ZIAGYGMSSA-N 1 0 320.868 3.150 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093693980 193291254 /nfs/dbraw/zinc/29/12/54/193291254.db2.gz CMWIOENRWINRJW-MRXNPFEDSA-N 1 0 312.461 3.240 10 0 DGAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181273440 432120882 /nfs/dbraw/zinc/12/08/82/432120882.db2.gz AZZBZUANXQQSQP-GJZGRUSLSA-N 1 0 311.429 3.314 10 0 DGAERO CCCn1nc(C)c(C[N@H+](CC)CCc2nccs2)c1C ZINC000093764424 193301199 /nfs/dbraw/zinc/30/11/99/193301199.db2.gz WELUKGAGLDOLTQ-UHFFFAOYSA-N 1 0 306.479 3.431 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CCN1C ZINC000093644846 193281246 /nfs/dbraw/zinc/28/12/46/193281246.db2.gz UJXBHJVSEROJBL-JSGCOSHPSA-N 1 0 316.367 3.500 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CCN1C ZINC000093644205 193281911 /nfs/dbraw/zinc/28/19/11/193281911.db2.gz MTYJSYIKNXHQHZ-PBHICJAKSA-N 1 0 302.462 3.315 10 0 DGAERO COc1ccccc1/C=C/C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000093864064 193319640 /nfs/dbraw/zinc/31/96/40/193319640.db2.gz YQTAZDHKOINHLP-LKUPDRCFSA-N 1 0 311.429 3.451 10 0 DGAERO Clc1ccc(Cl)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000094439480 193369663 /nfs/dbraw/zinc/36/96/63/193369663.db2.gz LHBNYRGDNKQMMH-LLVKDONJSA-N 1 0 300.233 3.059 10 0 DGAERO CCOC(=O)C[C@@](C)([NH2+]CCOc1ccc(F)cc1)C(C)C ZINC000481687839 244773026 /nfs/dbraw/zinc/77/30/26/244773026.db2.gz DSMMLIWCVWFQOJ-QGZVFWFLSA-N 1 0 311.397 3.162 10 0 DGAERO COC(=O)c1ccc(Cl)c(C[NH2+]CCc2ccccc2O)c1 ZINC000482217261 244793719 /nfs/dbraw/zinc/79/37/19/244793719.db2.gz GJZCUGYODOBGIB-UHFFFAOYSA-N 1 0 319.788 3.165 10 0 DGAERO COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)C3CC3)CCN2C2CC2)c1 ZINC000181283199 432121628 /nfs/dbraw/zinc/12/16/28/432121628.db2.gz UKGSMZNMMKXASW-MJXNMMHHSA-N 1 0 300.446 3.361 10 0 DGAERO C[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000246342216 432121754 /nfs/dbraw/zinc/12/17/54/432121754.db2.gz GXQIMXMGXXFWLR-YJLNNSPDSA-N 1 0 319.412 3.117 10 0 DGAERO COc1cccc(C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C2CC2)c1 ZINC000121429640 284196946 /nfs/dbraw/zinc/19/69/46/284196946.db2.gz HFWDBNPYJGGZJX-WDSOQIARSA-N 1 0 303.446 3.157 10 0 DGAERO Cc1ccc(CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000121664432 284202991 /nfs/dbraw/zinc/20/29/91/284202991.db2.gz UIMQYXVOTVHCQT-QGZVFWFLSA-N 1 0 305.466 3.113 10 0 DGAERO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246344430 432121920 /nfs/dbraw/zinc/12/19/20/432121920.db2.gz VBDYIWFDSLMQJN-GVJGKXCCSA-N 1 0 321.509 3.469 10 0 DGAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000487278243 245042059 /nfs/dbraw/zinc/04/20/59/245042059.db2.gz ZUNSPBFPDXOHHF-LBPRGKRZSA-N 1 0 320.234 3.002 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000487859724 245114503 /nfs/dbraw/zinc/11/45/03/245114503.db2.gz OTJFEKBZCCGQEH-SJORKVTESA-N 1 0 318.486 3.008 10 0 DGAERO CC(C)c1ncc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000123074003 284231629 /nfs/dbraw/zinc/23/16/29/284231629.db2.gz PHZUQXXJVMFNAF-AWEZNQCLSA-N 1 0 317.458 3.299 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000123393412 284237636 /nfs/dbraw/zinc/23/76/36/284237636.db2.gz STJZRGMAOIJNJD-NWDGAFQWSA-N 1 0 317.260 3.365 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1F ZINC000124050494 284251788 /nfs/dbraw/zinc/25/17/88/284251788.db2.gz HEAKTVTZPHVLMY-GRDNDAEWSA-N 1 0 321.440 3.223 10 0 DGAERO Cc1ccc(C[C@H](C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000181321621 432123564 /nfs/dbraw/zinc/12/35/64/432123564.db2.gz NGXAADADAVOMAR-XYJFISCASA-N 1 0 302.462 3.019 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124124605 284253408 /nfs/dbraw/zinc/25/34/08/284253408.db2.gz MFSOXWGFKBWNSO-KRWDZBQOSA-N 1 0 324.424 3.198 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(Br)ccc1Cl)[C@H](C)CO ZINC000124313689 284256801 /nfs/dbraw/zinc/25/68/01/284256801.db2.gz YOPUCKDRFQTQDF-RKDXNWHRSA-N 1 0 306.631 3.209 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489628047 245332559 /nfs/dbraw/zinc/33/25/59/245332559.db2.gz IMVYLOPGDFVUJK-GFOCRRMGSA-N 1 0 315.461 3.092 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC000124341342 284257646 /nfs/dbraw/zinc/25/76/46/284257646.db2.gz FGCNQUKTIANUIP-NUJGCVRESA-N 1 0 302.462 3.415 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)c1ccccc1F ZINC000124427589 284258819 /nfs/dbraw/zinc/25/88/19/284258819.db2.gz XXUNKRWLFDYJAU-AWEZNQCLSA-N 1 0 306.425 3.094 10 0 DGAERO Cc1cc(C(=O)NCCC2CC[NH+](C)CC2)c(Cl)cc1F ZINC000124923815 284266429 /nfs/dbraw/zinc/26/64/29/284266429.db2.gz NBFUFOLQYKHSTH-UHFFFAOYSA-N 1 0 312.816 3.249 10 0 DGAERO C/C=C(\CC)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000190124463 432124581 /nfs/dbraw/zinc/12/45/81/432124581.db2.gz SMVQGQKIKWEXAR-SYZQJQIISA-N 1 0 301.434 3.123 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000125333144 284273467 /nfs/dbraw/zinc/27/34/67/284273467.db2.gz KPQYISNDGVCJJW-UYSNPLJNSA-N 1 0 319.449 3.247 10 0 DGAERO C[C@@H]1CCC[C@H](C)CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125443349 284276284 /nfs/dbraw/zinc/27/62/84/284276284.db2.gz OKEICXNQWHRGNZ-NJINODPHSA-N 1 0 309.498 3.327 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)NCCC1=CCCC1)c1ccccc1 ZINC000126477887 284306716 /nfs/dbraw/zinc/30/67/16/284306716.db2.gz XSKVZZSSDPHKSC-QGZVFWFLSA-N 1 0 301.434 3.089 10 0 DGAERO CC(C)[NH+]1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000127005856 284324008 /nfs/dbraw/zinc/32/40/08/284324008.db2.gz IFUCWSJVBYRAQB-UHFFFAOYSA-N 1 0 313.420 3.414 10 0 DGAERO CC(C)CC[C@](C)(O)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000127300731 284334104 /nfs/dbraw/zinc/33/41/04/284334104.db2.gz FEQGRZWXRNMJQL-WMZOPIPTSA-N 1 0 301.434 3.276 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCc2c(C)nn(C)c2C)C12CCCCC2 ZINC000181440880 432127254 /nfs/dbraw/zinc/12/72/54/432127254.db2.gz SKKUGUHOOKOMCG-ROUUACIJSA-N 1 0 319.493 3.297 10 0 DGAERO Cc1ccc(C[C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000246398901 432127325 /nfs/dbraw/zinc/12/73/25/432127325.db2.gz RJNGWQNNZSPYCH-YDHLFZDLSA-N 1 0 323.506 3.112 10 0 DGAERO CC(C)c1noc(-c2ccnc(NCC[NH+]3CCCCC3)c2)n1 ZINC000266190655 205170759 /nfs/dbraw/zinc/17/07/59/205170759.db2.gz BSZOZPNWIXYNCO-UHFFFAOYSA-N 1 0 315.421 3.153 10 0 DGAERO Cc1ccc(-c2ncc(CN3CCN(C4CC4)CC3)s2)cc1 ZINC000127959489 284358974 /nfs/dbraw/zinc/35/89/74/284358974.db2.gz DKQCZDSJFDVRDX-UHFFFAOYSA-N 1 0 313.470 3.399 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1)[NH+](C)C ZINC000128315562 284371155 /nfs/dbraw/zinc/37/11/55/284371155.db2.gz QFPULKKUBDEWMZ-INIZCTEOSA-N 1 0 314.433 3.499 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cc(C)oc2C)[C@H](C)C1 ZINC000128732833 284385162 /nfs/dbraw/zinc/38/51/62/284385162.db2.gz IYPDHMVJJFYZEN-IFIJOSMWSA-N 1 0 321.465 3.329 10 0 DGAERO C[C@@H]([NH2+]CCN(C)C)c1cc2cc(Br)ccc2o1 ZINC000019256133 182111614 /nfs/dbraw/zinc/11/16/14/182111614.db2.gz DKPBVNMUSWXPCC-SNVBAGLBSA-N 1 0 311.223 3.408 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCc3ccccc3C)[C@@H]2C1 ZINC000246430712 432130175 /nfs/dbraw/zinc/13/01/75/432130175.db2.gz IMCZFFRWRSFGFG-GUDVDZBRSA-N 1 0 303.446 3.196 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C)o2)[C@H](C)C1 ZINC000246433341 432130226 /nfs/dbraw/zinc/13/02/26/432130226.db2.gz MWGGVUFPEDOOHU-YUELXQCFSA-N 1 0 307.438 3.021 10 0 DGAERO O=c1cc([C@H]2CCCC[N@@H+]2C2CCCC2)nc(-c2cccnc2)[nH]1 ZINC000019340867 182117046 /nfs/dbraw/zinc/11/70/46/182117046.db2.gz PGOMRJVITDRYGY-QGZVFWFLSA-N 1 0 324.428 3.302 10 0 DGAERO CN(Cc1ccccc1)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000019391818 182121116 /nfs/dbraw/zinc/12/11/16/182121116.db2.gz VEBFIBNGRCOOFE-GFCCVEGCSA-N 1 0 309.207 3.174 10 0 DGAERO NC(=[NH2+])c1ccc(COc2cccc(Br)c2)cc1 ZINC000019505341 182126445 /nfs/dbraw/zinc/12/64/45/182126445.db2.gz FCZXVHHIHFVTAS-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO [NH3+][C@@H](C(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000019511503 182126915 /nfs/dbraw/zinc/12/69/15/182126915.db2.gz HPUDAUYCFICPTA-CYBMUJFWSA-N 1 0 305.175 3.088 10 0 DGAERO [NH3+][C@@H](c1ccc(Br)cc1)[C@@H]1COc2ccccc2O1 ZINC000019511095 182126963 /nfs/dbraw/zinc/12/69/63/182126963.db2.gz XYUMPGPHIKLPMK-GJZGRUSLSA-N 1 0 320.186 3.289 10 0 DGAERO O=C(Nc1cccc(Br)c1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019488991 182125096 /nfs/dbraw/zinc/12/50/96/182125096.db2.gz GKWPAVOWAHSHFX-DDTOSNHZSA-N 1 0 323.234 3.308 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)c(C)nn1C ZINC000019654492 182134150 /nfs/dbraw/zinc/13/41/50/182134150.db2.gz YYTCEROIFRODTM-MRXNPFEDSA-N 1 0 315.417 3.083 10 0 DGAERO Cn1cc(C[NH+]2CCSCC2)c(-c2cccc(Cl)c2)n1 ZINC000019744220 182141853 /nfs/dbraw/zinc/14/18/53/182141853.db2.gz FPFQUZLTQWVIBD-UHFFFAOYSA-N 1 0 307.850 3.289 10 0 DGAERO Cc1ccc(CCC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000129383311 284407891 /nfs/dbraw/zinc/40/78/91/284407891.db2.gz DOJXPKFRRXDPDT-UHFFFAOYSA-N 1 0 302.462 3.164 10 0 DGAERO CC1(C)C[N@H+](CCOCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000190203892 432131341 /nfs/dbraw/zinc/13/13/41/432131341.db2.gz BLTVPXJSGJFQMB-SECBINFHSA-N 1 0 307.278 3.476 10 0 DGAERO [NH3+][C@H](c1ccc(Br)cc1)c1ccc2c(c1)CCO2 ZINC000019971020 182171623 /nfs/dbraw/zinc/17/16/23/182171623.db2.gz LRVQXXLPVFKXGD-OAHLLOKOSA-N 1 0 304.187 3.432 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000019979922 182173291 /nfs/dbraw/zinc/17/32/91/182173291.db2.gz USUBNRBRRIRPTA-NSHDSACASA-N 1 0 304.312 3.230 10 0 DGAERO CC(C)[N@H+](C)CCC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000020022066 182179771 /nfs/dbraw/zinc/17/97/71/182179771.db2.gz PCBLDZRBYAKUHI-UHFFFAOYSA-N 1 0 304.221 3.244 10 0 DGAERO COc1ccccc1CN(C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226017 182198500 /nfs/dbraw/zinc/19/85/00/182198500.db2.gz JTUOMDPCLSRXJS-MRXNPFEDSA-N 1 0 304.821 3.480 10 0 DGAERO CCN(Cc1ccccc1)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226335 182198967 /nfs/dbraw/zinc/19/89/67/182198967.db2.gz SGJHNMOLCIMECR-QGZVFWFLSA-N 1 0 314.429 3.226 10 0 DGAERO CCc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)oc1CC ZINC000134889273 284454068 /nfs/dbraw/zinc/45/40/68/284454068.db2.gz PUEBELFFAPIXIL-UHFFFAOYSA-N 1 0 304.434 3.105 10 0 DGAERO COc1ccc(Cn2c(N)[nH+]cc2-c2ccccc2)cc1OC ZINC000022130293 182310020 /nfs/dbraw/zinc/31/00/20/182310020.db2.gz BJQFTKCDNAXTDR-UHFFFAOYSA-N 1 0 309.369 3.198 10 0 DGAERO CCOc1cc2c(cc1C[NH2+][C@@H]1CCCSC1)O[C@@H](C)C2 ZINC000135698615 432134268 /nfs/dbraw/zinc/13/42/68/432134268.db2.gz MYJYRYRNNMYOQS-SWLSCSKDSA-N 1 0 307.459 3.394 10 0 DGAERO Cn1c(=O)ccc2ccc(NC3CC[NH+](C(C)(C)C)CC3)cc21 ZINC000494491815 246155842 /nfs/dbraw/zinc/15/58/42/246155842.db2.gz GMCQZWBYSJRVIK-UHFFFAOYSA-N 1 0 313.445 3.213 10 0 DGAERO [NH3+]C[C@H](c1ccc(F)c(Br)c1)N1CCCCC1 ZINC000022164528 182311846 /nfs/dbraw/zinc/31/18/46/182311846.db2.gz NSLZNMAOMKUFPN-CYBMUJFWSA-N 1 0 301.203 3.074 10 0 DGAERO CC1CCN([C@H](C[NH3+])c2cc(Br)ccc2F)CC1 ZINC000022166006 182311944 /nfs/dbraw/zinc/31/19/44/182311944.db2.gz QBKUWAMPAHIIHA-CQSZACIVSA-N 1 0 315.230 3.320 10 0 DGAERO [NH3+]C[C@@H](c1ccc(F)c(Br)c1)N1CCCCC1 ZINC000022164532 182311994 /nfs/dbraw/zinc/31/19/94/182311994.db2.gz NSLZNMAOMKUFPN-ZDUSSCGKSA-N 1 0 301.203 3.074 10 0 DGAERO c1ccc(COC2CC([NH2+][C@@H]3CCO[C@H](C4CC4)C3)C2)cc1 ZINC000494774472 246189420 /nfs/dbraw/zinc/18/94/20/246189420.db2.gz ICUJVRDKUVEBOH-UGXKVIGPSA-N 1 0 301.430 3.281 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 ZINC000022696432 182331303 /nfs/dbraw/zinc/33/13/03/182331303.db2.gz YCIHMHFWUAZNLA-GOSISDBHSA-N 1 0 314.404 3.177 10 0 DGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000135234594 284467281 /nfs/dbraw/zinc/46/72/81/284467281.db2.gz AMEIOWLBNMMBJH-GWCFXTLKSA-N 1 0 318.642 3.353 10 0 DGAERO O=C(C[NH2+][C@H](Cc1ccccc1)C1CC1)Nc1ccccc1F ZINC000181556394 432135238 /nfs/dbraw/zinc/13/52/38/432135238.db2.gz CEZQGSJEGGLCHK-GOSISDBHSA-N 1 0 312.388 3.375 10 0 DGAERO Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000496151789 246360419 /nfs/dbraw/zinc/36/04/19/246360419.db2.gz NWYMGRDLNFEKQS-LSDHHAIUSA-N 1 0 322.449 3.366 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccccc2C)[C@H](C)C1 ZINC000246490443 432136017 /nfs/dbraw/zinc/13/60/17/432136017.db2.gz RTFXLVRMZWSTOH-NUJGCVRESA-N 1 0 317.477 3.428 10 0 DGAERO Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1F ZINC000171503096 432137945 /nfs/dbraw/zinc/13/79/45/432137945.db2.gz LCLLTNAZVMLLPI-HNNXBMFYSA-N 1 0 305.397 3.226 10 0 DGAERO COc1ccc(C)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171502942 432137985 /nfs/dbraw/zinc/13/79/85/432137985.db2.gz PXAJKKJSASDSLC-HNNXBMFYSA-N 1 0 317.433 3.096 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)nc1 ZINC000246537947 432141738 /nfs/dbraw/zinc/14/17/38/432141738.db2.gz VRYOSEBMZKMXQQ-WHOFXGATSA-N 1 0 312.866 3.440 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246554692 432143852 /nfs/dbraw/zinc/14/38/52/432143852.db2.gz YUDIOEMJGDIPAO-BHYGNILZSA-N 1 0 317.477 3.489 10 0 DGAERO CC(C)[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000246556375 432144359 /nfs/dbraw/zinc/14/43/59/432144359.db2.gz ZMLCZWLFHKELQU-IRXDYDNUSA-N 1 0 320.864 3.386 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000151877860 284586453 /nfs/dbraw/zinc/58/64/53/284586453.db2.gz BVXWVLCHZDHOTP-STQMWFEESA-N 1 0 312.404 3.305 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc3[nH]ccc32)C1 ZINC000246569721 432145875 /nfs/dbraw/zinc/14/58/75/432145875.db2.gz XJQONTDOTFEKII-BLLLJJGKSA-N 1 0 300.406 3.018 10 0 DGAERO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000136134554 432146259 /nfs/dbraw/zinc/14/62/59/432146259.db2.gz HWRNRFMROOJKDY-CQSZACIVSA-N 1 0 304.825 3.152 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136175298 432148070 /nfs/dbraw/zinc/14/80/70/432148070.db2.gz OXZNMHOKLOLAIH-JZXOWHBKSA-N 1 0 315.461 3.182 10 0 DGAERO C[NH+](C)CCCOc1c(=O)c2ccccc2oc1-c1ccco1 ZINC000040169237 183043653 /nfs/dbraw/zinc/04/36/53/183043653.db2.gz ZVQGTSDGCWOVEZ-UHFFFAOYSA-N 1 0 313.353 3.384 10 0 DGAERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](C2CCCC2)CC1 ZINC000190360361 432149115 /nfs/dbraw/zinc/14/91/15/432149115.db2.gz OGHVSONLXJVZOW-UHFFFAOYSA-N 1 0 310.482 3.057 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CCN(c2ncccc2F)C1)Cc1ccccc1 ZINC000152780856 284641065 /nfs/dbraw/zinc/64/10/65/284641065.db2.gz YHQIYIIKDFJHJH-DOTOQJQBSA-N 1 0 313.420 3.268 10 0 DGAERO O=C(c1cc(C2CC2)nc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171585036 432149266 /nfs/dbraw/zinc/14/92/66/432149266.db2.gz HFKMHWVXZGTRRR-HNNXBMFYSA-N 1 0 321.424 3.032 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000040502575 183084522 /nfs/dbraw/zinc/08/45/22/183084522.db2.gz LMVPLKAQLVDYHC-NSHDSACASA-N 1 0 303.269 3.085 10 0 DGAERO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000040807553 183136869 /nfs/dbraw/zinc/13/68/69/183136869.db2.gz JDKINMJNVVBECZ-SECBINFHSA-N 1 0 301.217 3.442 10 0 DGAERO CN(Cc1cc(-c2cccs2)on1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747022 183128826 /nfs/dbraw/zinc/12/88/26/183128826.db2.gz MFHIMRZSQCFAHR-ONXXMXGDSA-N 1 0 303.431 3.118 10 0 DGAERO c1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)CC2 ZINC000171597769 432149932 /nfs/dbraw/zinc/14/99/32/432149932.db2.gz VUYDYCGXFQTAIY-OALUTQOASA-N 1 0 318.424 3.167 10 0 DGAERO C[C@H]([NH2+]C1CCS(=O)CC1)c1ccccc1Br ZINC000042336555 183255865 /nfs/dbraw/zinc/25/58/65/183255865.db2.gz BVYHPROSJAKHNQ-KCCQOBMMSA-N 1 0 316.264 3.011 10 0 DGAERO CCOC(=O)CS[C@H](c1ccc(Cl)cc1)[C@@H]([NH3+])CC ZINC000042951186 183320316 /nfs/dbraw/zinc/32/03/16/183320316.db2.gz HOINUTIOAXEMQS-GXTWGEPZSA-N 1 0 301.839 3.415 10 0 DGAERO C[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000042957277 183322681 /nfs/dbraw/zinc/32/26/81/183322681.db2.gz RKJMMEVCARYSLG-DDTOSNHZSA-N 1 0 314.223 3.033 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cc(C)cn1 ZINC000042956035 183322884 /nfs/dbraw/zinc/32/28/84/183322884.db2.gz GTQUKZBYBGOHEY-KGLIPLIRSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@@H]([NH3+])[C@@H](OC1CCOCC1)c1ccc(Br)cc1 ZINC000042958470 183323745 /nfs/dbraw/zinc/32/37/45/183323745.db2.gz UMLQDMKBQYCSKT-QMTHXVAHSA-N 1 0 314.223 3.033 10 0 DGAERO C[C@@H]([NH3+])[C@H](Sc1ncccn1)c1ccc(Br)cc1 ZINC000042959154 183323819 /nfs/dbraw/zinc/32/38/19/183323819.db2.gz MKIQKGQDKXMSQB-SKDRFNHKSA-N 1 0 324.247 3.420 10 0 DGAERO CCc1nccn1[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022268 183329371 /nfs/dbraw/zinc/32/93/71/183329371.db2.gz LHKKZSSQTVDHCZ-HZMBPMFUSA-N 1 0 308.223 3.145 10 0 DGAERO CC(C)OCCO[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043023045 183330342 /nfs/dbraw/zinc/33/03/42/183330342.db2.gz CYGLEOBFWBNWOB-RISCZKNCSA-N 1 0 316.239 3.279 10 0 DGAERO CCN(CC(F)(F)F)c1cc(Br)ccc1C[NH3+] ZINC000042777292 183307708 /nfs/dbraw/zinc/30/77/08/183307708.db2.gz DUVQADAQJZDGKT-UHFFFAOYSA-N 1 0 311.145 3.296 10 0 DGAERO CCN(c1cc(Br)ccc1C[NH2+]C)[C@H](C)COC ZINC000042777538 183307840 /nfs/dbraw/zinc/30/78/40/183307840.db2.gz CLUPNOOVFUGZFJ-LLVKDONJSA-N 1 0 315.255 3.030 10 0 DGAERO CC(C)CN(CC[NH+](C)C)Cc1ccccc1Br ZINC000042779906 183308524 /nfs/dbraw/zinc/30/85/24/183308524.db2.gz CITLMJKVQGLMAG-UHFFFAOYSA-N 1 0 313.283 3.469 10 0 DGAERO Cc1nn([C@H](C[NH3+])c2ccccc2Br)c(C)c1C ZINC000043093846 183336791 /nfs/dbraw/zinc/33/67/91/183336791.db2.gz HEUGSQZSGOZAMJ-CQSZACIVSA-N 1 0 308.223 3.119 10 0 DGAERO [NH3+]C[C@@H](OCCc1ccccn1)c1ccccc1Br ZINC000043095173 183337267 /nfs/dbraw/zinc/33/72/67/183337267.db2.gz URAZWVINLWBVEO-OAHLLOKOSA-N 1 0 321.218 3.103 10 0 DGAERO [NH3+]C1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000043560476 183370893 /nfs/dbraw/zinc/37/08/93/183370893.db2.gz XDEWWYADDGXFPS-UHFFFAOYSA-N 1 0 322.206 3.484 10 0 DGAERO CC[N@@H+](Cc1cc(Br)cs1)C[C@@H](C)C(N)=S ZINC000043687161 183380589 /nfs/dbraw/zinc/38/05/89/183380589.db2.gz KLGSEEZFAFJNKC-MRVPVSSYSA-N 1 0 321.309 3.255 10 0 DGAERO CCc1cccc(CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000153567465 284678413 /nfs/dbraw/zinc/67/84/13/284678413.db2.gz FPPVLXQUABRTEB-IBGZPJMESA-N 1 0 314.473 3.268 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCCNc2ccccn2)ccc1F ZINC000154158819 284715353 /nfs/dbraw/zinc/71/53/53/284715353.db2.gz BDODOHSHOOWQPL-ZDUSSCGKSA-N 1 0 303.381 3.382 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176636722 284727483 /nfs/dbraw/zinc/72/74/83/284727483.db2.gz ZJUBULJQMPGUBY-JKSUJKDBSA-N 1 0 323.868 3.354 10 0 DGAERO CCCOc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000104994481 194062549 /nfs/dbraw/zinc/06/25/49/194062549.db2.gz PPUMHGAZOHPNMH-MRXNPFEDSA-N 1 0 317.433 3.177 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C)s1 ZINC000105131097 194078049 /nfs/dbraw/zinc/07/80/49/194078049.db2.gz MIOVNZCINKWWDB-DZGCQCFKSA-N 1 0 321.490 3.306 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000105087039 194071362 /nfs/dbraw/zinc/07/13/62/194071362.db2.gz JUAJGDIDWFYKOI-CABCVRRESA-N 1 0 307.438 3.069 10 0 DGAERO c1cc(-c2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)no1 ZINC000273846184 211108015 /nfs/dbraw/zinc/10/80/15/211108015.db2.gz FUMYMFLRRXFNSF-UHFFFAOYSA-N 1 0 310.357 3.104 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000105806773 194133398 /nfs/dbraw/zinc/13/33/98/194133398.db2.gz ZBDCHWSDHBKKIW-UHFFFAOYSA-N 1 0 310.445 3.010 10 0 DGAERO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884416 194157581 /nfs/dbraw/zinc/15/75/81/194157581.db2.gz YBRSZDSAYVPHSE-OLZOCXBDSA-N 1 0 306.360 3.030 10 0 DGAERO FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883293 194158133 /nfs/dbraw/zinc/15/81/33/194158133.db2.gz LQYCBIOMGROZFI-ZDUSSCGKSA-N 1 0 324.350 3.209 10 0 DGAERO Cc1cnn(CC[NH2+]Cc2ccc(CSC(F)F)o2)c1 ZINC000105908616 194166562 /nfs/dbraw/zinc/16/65/62/194166562.db2.gz QRYTXPZHFNYJDU-UHFFFAOYSA-N 1 0 301.362 3.030 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)c1 ZINC000105923261 194171144 /nfs/dbraw/zinc/17/11/44/194171144.db2.gz MIYBLNJWDVNSRZ-IBGZPJMESA-N 1 0 321.428 3.214 10 0 DGAERO Cc1nc([C@@H]2CCCN2C(=O)c2ccc3c[nH+]cn3c2)cs1 ZINC000285026881 218262270 /nfs/dbraw/zinc/26/22/70/218262270.db2.gz SAQUHEVEOLJBPZ-HNNXBMFYSA-N 1 0 312.398 3.077 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000106215468 194189333 /nfs/dbraw/zinc/18/93/33/194189333.db2.gz QCWBCZPPCDPULF-QGZVFWFLSA-N 1 0 313.445 3.334 10 0 DGAERO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3nc(Cl)ccc3c2)C1 ZINC000106364232 194201049 /nfs/dbraw/zinc/20/10/49/194201049.db2.gz PKUHQZNTMVKASD-AWEZNQCLSA-N 1 0 317.820 3.054 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000106425702 194212292 /nfs/dbraw/zinc/21/22/92/194212292.db2.gz AOOYUWWFTUJXMS-LJQANCHMSA-N 1 0 308.425 3.287 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H](C)c2sccc2Br)c1 ZINC000231323504 284786913 /nfs/dbraw/zinc/78/69/13/284786913.db2.gz KADHORJROTWZFC-JTQLQIEISA-N 1 0 314.252 3.366 10 0 DGAERO CC[NH2+][C@@H]1CCN(Cc2ccc(Br)cc2)[C@H](C)C1 ZINC000049712371 183755648 /nfs/dbraw/zinc/75/56/48/183755648.db2.gz WDCNDCNRCCHTHW-IUODEOHRSA-N 1 0 311.267 3.412 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1NC(C)=O ZINC000245623433 284831570 /nfs/dbraw/zinc/83/15/70/284831570.db2.gz XMQBOZWSWOQMSM-OQMKEHIESA-N 1 0 320.433 3.260 10 0 DGAERO CC(C)[NH2+]CCCOCCOc1ccc(Br)cc1 ZINC000051863997 183839294 /nfs/dbraw/zinc/83/92/94/183839294.db2.gz GMSROWIRXRTWBT-UHFFFAOYSA-N 1 0 316.239 3.233 10 0 DGAERO CCC[NH+]1CCC(N(C)Cc2ncc(C)c(OC)c2C)CC1 ZINC000110031361 194303964 /nfs/dbraw/zinc/30/39/64/194303964.db2.gz GHPZXJOAUAJRLV-UHFFFAOYSA-N 1 0 305.466 3.013 10 0 DGAERO CCC[NH2+][C@@H](c1cccc(Br)c1)c1cncnc1 ZINC000052887127 183878819 /nfs/dbraw/zinc/87/88/19/183878819.db2.gz AHMJEWPJWBXFAE-AWEZNQCLSA-N 1 0 306.207 3.328 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000110449454 194331064 /nfs/dbraw/zinc/33/10/64/194331064.db2.gz YHBFCNHKALLLOQ-MOPGFXCFSA-N 1 0 308.425 3.282 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)C1(C)C ZINC000245927908 284855546 /nfs/dbraw/zinc/85/55/46/284855546.db2.gz RWFZMRJCYQGLKN-XOKHGSTOSA-N 1 0 314.433 3.122 10 0 DGAERO Cc1cc(C[C@@H](C)[NH3+])nc(Cc2cccc(Br)c2)n1 ZINC000054835293 183952057 /nfs/dbraw/zinc/95/20/57/183952057.db2.gz LAUBSOTVCJUATD-SNVBAGLBSA-N 1 0 320.234 3.028 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000055928169 184001102 /nfs/dbraw/zinc/00/11/02/184001102.db2.gz NFJUJNDELPQKCR-MRXNPFEDSA-N 1 0 302.418 3.288 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000056507868 184014578 /nfs/dbraw/zinc/01/45/78/184014578.db2.gz KLVUNDHVMGABBV-YESZJQIVSA-N 1 0 324.509 3.301 10 0 DGAERO Cc1ccc(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000057030362 184025407 /nfs/dbraw/zinc/02/54/07/184025407.db2.gz QTJYZJOCWQZQES-OAHLLOKOSA-N 1 0 318.442 3.145 10 0 DGAERO COc1ccc(OC)c([C@@H](C[NH3+])Nc2ccccc2Cl)c1 ZINC000057637718 184043536 /nfs/dbraw/zinc/04/35/36/184043536.db2.gz OMKDWKNSWDIPJD-OAHLLOKOSA-N 1 0 306.793 3.469 10 0 DGAERO COc1ccc([C@H](C[NH3+])Nc2ccc(Cl)cc2)c(OC)c1 ZINC000057637756 184043688 /nfs/dbraw/zinc/04/36/88/184043688.db2.gz IZLCFDQATPXDOJ-HNNXBMFYSA-N 1 0 306.793 3.469 10 0 DGAERO COc1ccc([C@H](C[NH3+])Nc2ccccc2Cl)cc1OC ZINC000057637699 184043711 /nfs/dbraw/zinc/04/37/11/184043711.db2.gz MZHWSRRFQMFCKM-AWEZNQCLSA-N 1 0 306.793 3.469 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC000246342605 284887016 /nfs/dbraw/zinc/88/70/16/284887016.db2.gz UXUDASVLPAFTRX-RNONSGAXSA-N 1 0 309.498 3.231 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000246449070 284897176 /nfs/dbraw/zinc/89/71/76/284897176.db2.gz PBOJTTKKTREHII-PCCBWWKXSA-N 1 0 324.468 3.279 10 0 DGAERO [NH3+][C@H](Cc1cccnc1)Cc1cc(F)ccc1Br ZINC000060707506 184154571 /nfs/dbraw/zinc/15/45/71/184154571.db2.gz HBKNCBTZEGKGPL-CYBMUJFWSA-N 1 0 309.182 3.096 10 0 DGAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000061273900 184167500 /nfs/dbraw/zinc/16/75/00/184167500.db2.gz TXWGQKHIJLWIKO-WDEREUQCSA-N 1 0 313.239 3.014 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)c(C)s1 ZINC000061863983 184190707 /nfs/dbraw/zinc/19/07/07/184190707.db2.gz JJEOKHZBMRXVDA-ZDUSSCGKSA-N 1 0 321.490 3.306 10 0 DGAERO [NH3+]C[C@@H](c1nc2cc(Br)ccc2[nH]1)c1ccccc1 ZINC000061608856 184177800 /nfs/dbraw/zinc/17/78/00/184177800.db2.gz KVXTWUWQXYBMTC-GFCCVEGCSA-N 1 0 316.202 3.416 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1Cl ZINC000061692495 184183471 /nfs/dbraw/zinc/18/34/71/184183471.db2.gz BOYZCLBDESYAOR-RDDDGLTNSA-N 1 0 319.630 3.414 10 0 DGAERO C[C@@H]([NH3+])c1ccc(OC[C@H]2CCCCO2)c(Br)c1 ZINC000061698962 184183799 /nfs/dbraw/zinc/18/37/99/184183799.db2.gz ZYRNLGJREBXYMB-ZYHUDNBSSA-N 1 0 314.223 3.417 10 0 DGAERO C[C@H]([NH3+])c1ccc(OCC2CCOCC2)c(Br)c1 ZINC000061699851 184183930 /nfs/dbraw/zinc/18/39/30/184183930.db2.gz GRDNAKXCQPXQKD-JTQLQIEISA-N 1 0 314.223 3.274 10 0 DGAERO C[NH2+]C[C@]1(Cc2ccc(F)cc2Br)CCCOC1 ZINC000062193497 184218144 /nfs/dbraw/zinc/21/81/44/184218144.db2.gz ICCHPBUGVBFYDB-CQSZACIVSA-N 1 0 316.214 3.147 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000062855719 184256596 /nfs/dbraw/zinc/25/65/96/184256596.db2.gz FEXNDNPWRZOOMT-INIZCTEOSA-N 1 0 310.825 3.455 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246843578 284925259 /nfs/dbraw/zinc/92/52/59/284925259.db2.gz CONHARVOGIFGIO-CEXWTWQISA-N 1 0 314.473 3.466 10 0 DGAERO Cc1c2cc(C)ccc2oc1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000065425327 184343036 /nfs/dbraw/zinc/34/30/36/184343036.db2.gz AUCNBKAVYHCVCV-UHFFFAOYSA-N 1 0 312.413 3.152 10 0 DGAERO COc1ncc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c(OC)n1 ZINC000065491672 184353722 /nfs/dbraw/zinc/35/37/22/184353722.db2.gz GFWQWLGSBXEVPI-ZDUSSCGKSA-N 1 0 313.401 3.318 10 0 DGAERO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000065588924 184369222 /nfs/dbraw/zinc/36/92/22/184369222.db2.gz KWSMVYVEBKZFDY-INIZCTEOSA-N 1 0 318.852 3.225 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247118650 284944716 /nfs/dbraw/zinc/94/47/16/284944716.db2.gz ROVYJUOJTGDFCV-HRCADAONSA-N 1 0 303.450 3.228 10 0 DGAERO C[C@H](C[NH+]1CCC(N(C)c2cccnn2)CC1)c1ccccc1 ZINC000116878776 194779680 /nfs/dbraw/zinc/77/96/80/194779680.db2.gz UVNJNEJEANFRBA-MRXNPFEDSA-N 1 0 310.445 3.181 10 0 DGAERO CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000085367103 252596937 /nfs/dbraw/zinc/59/69/37/252596937.db2.gz XBZNMXVUMCHACM-GJZGRUSLSA-N 1 0 320.481 3.150 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000248549888 285004997 /nfs/dbraw/zinc/00/49/97/285004997.db2.gz GDELQFYRKROQOQ-MJGOQNOKSA-N 1 0 319.445 3.245 10 0 DGAERO CC[C@](C)(O)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000087013371 252601334 /nfs/dbraw/zinc/60/13/34/252601334.db2.gz DMBAVNUNWCGLMV-LRDDRELGSA-N 1 0 301.377 3.360 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@H](C)Cc3ccccc3)CC2)nn1 ZINC000248584313 285008055 /nfs/dbraw/zinc/00/80/55/285008055.db2.gz PNIQZDXCDOVMRS-QGZVFWFLSA-N 1 0 324.472 3.176 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@@H]1C ZINC000248581700 285008096 /nfs/dbraw/zinc/00/80/96/285008096.db2.gz WBCDHBJRLFYSKI-SYQHCUMBSA-N 1 0 320.399 3.202 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)[C@@H]1C ZINC000183140703 207616150 /nfs/dbraw/zinc/61/61/50/207616150.db2.gz CTBSCYPJGFTHLZ-LMSBXDPUSA-N 1 0 302.462 3.100 10 0 DGAERO C[C@H](NC(=O)C(C)(C)c1ccccc1F)C(C)(C)C[NH+](C)C ZINC000173045237 252652079 /nfs/dbraw/zinc/65/20/79/252652079.db2.gz POTITCLURHTLIE-ZDUSSCGKSA-N 1 0 308.441 3.196 10 0 DGAERO Cc1cc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)ccc1Cl ZINC000248603533 285009717 /nfs/dbraw/zinc/00/97/17/285009717.db2.gz JLGASFGENZHVMG-UKRRQHHQSA-N 1 0 321.852 3.027 10 0 DGAERO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000248651860 285014443 /nfs/dbraw/zinc/01/44/43/285014443.db2.gz NGVOBISLXHQZDT-JKSUJKDBSA-N 1 0 305.491 3.314 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCCc1ccc3c(c1)CCO3)CC2 ZINC000248658831 285015772 /nfs/dbraw/zinc/01/57/72/285015772.db2.gz BVIRHUPLRSTWNL-AZUAARDMSA-N 1 0 315.457 3.181 10 0 DGAERO Brc1cnccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000164060060 532980101 /nfs/dbraw/zinc/98/01/01/532980101.db2.gz CQKGWQQYSQNFDW-UHFFFAOYSA-N 1 0 324.266 3.156 10 0 DGAERO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H]3CC=CCC3)cn2)C[C@@H](C)O1 ZINC000119068517 194967515 /nfs/dbraw/zinc/96/75/15/194967515.db2.gz GQWJFIHCLKKLIF-ZACQAIPSSA-N 1 0 315.461 3.141 10 0 DGAERO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248788359 285026156 /nfs/dbraw/zinc/02/61/56/285026156.db2.gz NCLNVVZENSPXLG-WDEREUQCSA-N 1 0 308.388 3.200 10 0 DGAERO CC[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248801871 285027154 /nfs/dbraw/zinc/02/71/54/285027154.db2.gz QNOFELBFDZOFFD-SDDRHHMPSA-N 1 0 308.388 3.200 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000248864461 285033807 /nfs/dbraw/zinc/03/38/07/285033807.db2.gz YAMHELLTADMFGU-ZSBIGDGJSA-N 1 0 301.789 3.092 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC[C@H]2CCCO2)c1 ZINC000248866395 285033824 /nfs/dbraw/zinc/03/38/24/285033824.db2.gz BARYKAXAQRXSDO-PBHICJAKSA-N 1 0 305.418 3.410 10 0 DGAERO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cnc(CC(C)C)s1 ZINC000248848370 285031362 /nfs/dbraw/zinc/03/13/62/285031362.db2.gz POQZHKXNWUWRIF-BJJXKVORSA-N 1 0 322.474 3.115 10 0 DGAERO CC[C@H]1C[N@H+](CC[C@H](C)c2ccccc2)CCN1CCOC ZINC000248990226 285044261 /nfs/dbraw/zinc/04/42/61/285044261.db2.gz NFIXHMDUHIZIQR-HKUYNNGSSA-N 1 0 304.478 3.223 10 0 DGAERO CCC[C@H](C(=O)NCc1oc2ccc(F)cc2c1C)[NH+](C)C ZINC000119794301 195038096 /nfs/dbraw/zinc/03/80/96/195038096.db2.gz XSAZQNBDUPNXPK-CQSZACIVSA-N 1 0 306.381 3.227 10 0 DGAERO COc1ccc([C@H]([NH2+]C[C@@H](O)COC(C)(C)C)C(C)C)cc1 ZINC000119847639 195047254 /nfs/dbraw/zinc/04/72/54/195047254.db2.gz JMMVJIONOFMQPH-NVXWUHKLSA-N 1 0 309.450 3.158 10 0 DGAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000249113509 285056756 /nfs/dbraw/zinc/05/67/56/285056756.db2.gz NIFKYEUCHPNOEP-CXAGYDPISA-N 1 0 308.491 3.362 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000249207453 285063888 /nfs/dbraw/zinc/06/38/88/285063888.db2.gz WROOJCYTWZNSBD-NWGLXNPWSA-N 1 0 300.446 3.131 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](COC)C2CCOCC2)C1(CC)CC ZINC000249179047 285061603 /nfs/dbraw/zinc/06/16/03/285061603.db2.gz GWKUSXUYJPTGAQ-IXDOHACOSA-N 1 0 313.482 3.001 10 0 DGAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCN2CCO[C@@H](C)C2)o1 ZINC000249300252 285067853 /nfs/dbraw/zinc/06/78/53/285067853.db2.gz RUYZFQRFMQOBSU-RDJZCZTQSA-N 1 0 306.450 3.090 10 0 DGAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCN2CCO[C@@H](C)C2)o1 ZINC000249300248 285067976 /nfs/dbraw/zinc/06/79/76/285067976.db2.gz RUYZFQRFMQOBSU-DOTOQJQBSA-N 1 0 306.450 3.090 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000249276394 285066307 /nfs/dbraw/zinc/06/63/07/285066307.db2.gz DDSCMRNCQCLWRJ-NZSAHSFTSA-N 1 0 314.473 3.402 10 0 DGAERO CC(C)[C@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c2ccccc21 ZINC000333828396 252974708 /nfs/dbraw/zinc/97/47/08/252974708.db2.gz SHSGKSGNGKQPMN-LBTBCDHLSA-N 1 0 315.461 3.311 10 0 DGAERO CCSCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000336683533 252996285 /nfs/dbraw/zinc/99/62/85/252996285.db2.gz ZALMFKNAIHJVQP-UHFFFAOYSA-N 1 0 304.253 3.300 10 0 DGAERO CCN(C(=O)N[C@H]1CCC[N@H+](CC)C1)[C@H](C)Cc1ccsc1 ZINC000249520677 285078867 /nfs/dbraw/zinc/07/88/67/285078867.db2.gz VEBBCOBFLZHTOJ-ZBFHGGJFSA-N 1 0 323.506 3.195 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384417 253102723 /nfs/dbraw/zinc/10/27/23/253102723.db2.gz KLZLDZXEMKSNFE-HUUCEWRRSA-N 1 0 305.491 3.152 10 0 DGAERO c1ccc(OCCOCC[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000337390924 253104378 /nfs/dbraw/zinc/10/43/78/253104378.db2.gz NLRLIYNKTNOGFB-GOSISDBHSA-N 1 0 319.445 3.021 10 0 DGAERO C[C@@H](Sc1ccccc1Cl)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249839854 285089883 /nfs/dbraw/zinc/08/98/83/285089883.db2.gz VKJACIHNTPHXIQ-OLZOCXBDSA-N 1 0 324.877 3.127 10 0 DGAERO C[C@H](c1ccc(OC(F)(F)F)cc1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000251763728 285098337 /nfs/dbraw/zinc/09/83/37/285098337.db2.gz UKZLNUIMOFAVGQ-IJLUTSLNSA-N 1 0 302.340 3.328 10 0 DGAERO c1cc(CN2CCOCC2)ccc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337993536 253206435 /nfs/dbraw/zinc/20/64/35/253206435.db2.gz JHROZSTXAHXZIA-PMACEKPBSA-N 1 0 314.473 3.187 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cscc1Br ZINC000286312034 218911129 /nfs/dbraw/zinc/91/11/29/218911129.db2.gz CYMITYUUSMXVHI-BXKDBHETSA-N 1 0 304.253 3.151 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000338144411 253230850 /nfs/dbraw/zinc/23/08/50/253230850.db2.gz VWWIMHOFBDAAFO-YHVDPYDOSA-N 1 0 316.836 3.248 10 0 DGAERO CC[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000338238119 253248830 /nfs/dbraw/zinc/24/88/30/253248830.db2.gz YXCCWJWTTXLTAH-DOTOQJQBSA-N 1 0 303.450 3.139 10 0 DGAERO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)ccc1F ZINC000120207351 195119333 /nfs/dbraw/zinc/11/93/33/195119333.db2.gz TUYUPYWXDFDLQM-MRXNPFEDSA-N 1 0 314.408 3.025 10 0 DGAERO c1ccc([C@@H](C[NH+]2CCCC2)Nc2ccnc3cccnc32)cc1 ZINC000338645306 253325971 /nfs/dbraw/zinc/32/59/71/253325971.db2.gz XVBCDLDEYWQOTL-LJQANCHMSA-N 1 0 318.424 3.301 10 0 DGAERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cccs1 ZINC000159066903 197323507 /nfs/dbraw/zinc/32/35/07/197323507.db2.gz IQESBZLZNKERBY-UKRRQHHQSA-N 1 0 302.443 3.098 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1 ZINC000159028671 197319519 /nfs/dbraw/zinc/31/95/19/197319519.db2.gz XSXXMFFREGKBTJ-RISCZKNCSA-N 1 0 314.351 3.164 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C/C=C\c1cccc(F)c1 ZINC000255021484 285120748 /nfs/dbraw/zinc/12/07/48/285120748.db2.gz QPKSZLBFLZCTIC-SJJKRXNQSA-N 1 0 316.420 3.314 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)NC/C=C\c1ccccc1)c1ccccc1 ZINC000255025586 285120819 /nfs/dbraw/zinc/12/08/19/285120819.db2.gz SJHVWABRUJHJQN-ADYPVZHUSA-N 1 0 323.440 3.302 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C/C=C\c1cccc(F)c1 ZINC000255148024 285134466 /nfs/dbraw/zinc/13/44/66/285134466.db2.gz MZLKZXBSISJTML-ZPOXIUPMSA-N 1 0 304.409 3.028 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000311817626 285136390 /nfs/dbraw/zinc/13/63/90/285136390.db2.gz MQSOXPRIYKHXNL-GVXVVHGQSA-N 1 0 301.477 3.315 10 0 DGAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000158164040 197249312 /nfs/dbraw/zinc/24/93/12/197249312.db2.gz RYPAUFHDWKLPAQ-INIZCTEOSA-N 1 0 323.400 3.229 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000255473316 285157455 /nfs/dbraw/zinc/15/74/55/285157455.db2.gz HNORTQWERRZCGV-TUYSUELWSA-N 1 0 300.446 3.389 10 0 DGAERO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000157923883 197227782 /nfs/dbraw/zinc/22/77/82/197227782.db2.gz DZIWNPVXZJOXFV-HZPDHXFCSA-N 1 0 309.417 3.198 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C/C=C\c2cccc(F)c2)C1 ZINC000255556284 285163642 /nfs/dbraw/zinc/16/36/42/285163642.db2.gz PRXWIVLKTGQTBE-XQDHMALISA-N 1 0 318.436 3.323 10 0 DGAERO COc1ccc(CC[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157563715 197197644 /nfs/dbraw/zinc/19/76/44/197197644.db2.gz VLZKVNYBRYVPJB-MRXNPFEDSA-N 1 0 303.427 3.373 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1(C)C ZINC000342809034 254055788 /nfs/dbraw/zinc/05/57/88/254055788.db2.gz GEKTVWIOXYBFHH-ROUUACIJSA-N 1 0 313.445 3.225 10 0 DGAERO COc1ccc(OCC[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000157655983 197205517 /nfs/dbraw/zinc/20/55/17/197205517.db2.gz PZQCKDMPUUPDNC-UHFFFAOYSA-N 1 0 306.431 3.013 10 0 DGAERO c1cn(-c2csc(C[NH+]3CCC4(CCOCC4)CC3)c2)cn1 ZINC000342845865 254064754 /nfs/dbraw/zinc/06/47/54/254064754.db2.gz YQVFYRUHAOJRJL-UHFFFAOYSA-N 1 0 317.458 3.326 10 0 DGAERO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2ccc(F)cc2)s1 ZINC000157376432 197182990 /nfs/dbraw/zinc/18/29/90/197182990.db2.gz WREQZSLCSMIXQW-UHFFFAOYSA-N 1 0 321.421 3.094 10 0 DGAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000343351233 254130982 /nfs/dbraw/zinc/13/09/82/254130982.db2.gz DRBIXHVRFJSBEK-XHXYSVNWSA-N 1 0 311.429 3.284 10 0 DGAERO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000157329244 197179936 /nfs/dbraw/zinc/17/99/36/197179936.db2.gz ZHBIXYVJOLRRBD-HUUCEWRRSA-N 1 0 322.449 3.447 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344647125 254292852 /nfs/dbraw/zinc/29/28/52/254292852.db2.gz RMILDGXLZUZTHZ-GDBMZVCRSA-N 1 0 310.482 3.009 10 0 DGAERO C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000261381092 285190361 /nfs/dbraw/zinc/19/03/61/285190361.db2.gz DOZKZBZFCYSWHQ-SJLPKXTDSA-N 1 0 315.461 3.093 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(F)c1Br)[C@H]1CCCO1 ZINC000156698394 197134484 /nfs/dbraw/zinc/13/44/84/197134484.db2.gz ZKYXMOXBWHTPKP-BXKDBHETSA-N 1 0 302.187 3.245 10 0 DGAERO CC(C)[C@@H](O)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000156307337 197102875 /nfs/dbraw/zinc/10/28/75/197102875.db2.gz IEJQSTMDRNKQNL-YJBOKZPZSA-N 1 0 318.461 3.407 10 0 DGAERO COC[C@H]1CN(c2c(C)c[nH+]c3c(C)cccc32)C[C@@H](C)O1 ZINC000302564314 533174146 /nfs/dbraw/zinc/17/41/46/533174146.db2.gz OBNDCWZIVNFUEY-HUUCEWRRSA-N 1 0 300.402 3.092 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000245423752 285238627 /nfs/dbraw/zinc/23/86/27/285238627.db2.gz BQIWJDZJECCYTN-YCPHGPKFSA-N 1 0 322.399 3.011 10 0 DGAERO OCCC1(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193163872 285252030 /nfs/dbraw/zinc/25/20/30/285252030.db2.gz RWHAHSVYJHRPRO-AWEZNQCLSA-N 1 0 310.235 3.189 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)ccc2OC)[C@H](C)C1 ZINC000120393123 195156689 /nfs/dbraw/zinc/15/66/89/195156689.db2.gz UUULQPBHYAJWPM-ZBFHGGJFSA-N 1 0 319.449 3.198 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)ccc2F)[C@H](C)C1 ZINC000120406011 195159619 /nfs/dbraw/zinc/15/96/19/195159619.db2.gz IAEUYIUAIJOMTM-CJNGLKHVSA-N 1 0 307.413 3.328 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2C)[C@H](C)C1 ZINC000120415785 195162245 /nfs/dbraw/zinc/16/22/45/195162245.db2.gz CGEYGUDCGGXWEI-CJNGLKHVSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000120423775 195164267 /nfs/dbraw/zinc/16/42/67/195164267.db2.gz RZCLQCSLFKXUKY-WMLDXEAASA-N 1 0 312.413 3.369 10 0 DGAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCn1ccnc1 ZINC000120494985 195177257 /nfs/dbraw/zinc/17/72/57/195177257.db2.gz JOEVEEMGVCRCPZ-AWEZNQCLSA-N 1 0 323.387 3.486 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)CC2 ZINC000120556827 195190021 /nfs/dbraw/zinc/19/00/21/195190021.db2.gz HZCZDWFMXUCVPQ-BUXKBTBVSA-N 1 0 313.445 3.254 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000120557050 195190231 /nfs/dbraw/zinc/19/02/31/195190231.db2.gz FTMOQJZYJJWEGR-IIYDPXPESA-N 1 0 307.459 3.462 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000120739183 195227678 /nfs/dbraw/zinc/22/76/78/195227678.db2.gz DVSPITVCMAZLOB-STQMWFEESA-N 1 0 303.454 3.096 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)NCC1(C2CC2)CCC1)c1ccccc1 ZINC000120789436 195239166 /nfs/dbraw/zinc/23/91/66/195239166.db2.gz IJRPRDPSWQZZJK-KRWDZBQOSA-N 1 0 315.461 3.169 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000120858184 195252420 /nfs/dbraw/zinc/25/24/20/195252420.db2.gz VDBXTVULFPJYLI-GFCCVEGCSA-N 1 0 310.388 3.262 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293245505 285311751 /nfs/dbraw/zinc/31/17/51/285311751.db2.gz BIZWXSIWYJAADA-OUAUKWLOSA-N 1 0 316.264 3.391 10 0 DGAERO c1ccc(OC2CC2)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000290036104 221393402 /nfs/dbraw/zinc/39/34/02/221393402.db2.gz NSRFKGPYLLCMJB-MRXNPFEDSA-N 1 0 300.446 3.146 10 0 DGAERO c1coc(C[N@H+]2C[C@@H]3CCC[C@]3(COCc3ccncc3)C2)c1 ZINC000247915567 257114856 /nfs/dbraw/zinc/11/48/56/257114856.db2.gz ZEMDHKZBBSDAAW-PKOBYXMFSA-N 1 0 312.413 3.494 10 0 DGAERO CO[C@H]1CC[N@@H+](C2CCOCC2)C[C@H]1Cc1cccc(C)c1 ZINC000247858574 257115940 /nfs/dbraw/zinc/11/59/40/257115940.db2.gz FDCXTPQRBSGJGM-MJGOQNOKSA-N 1 0 303.446 3.053 10 0 DGAERO CO[C@@H]1CC[N@H+](CC2CCOCC2)C[C@H]1Cc1cccc(C)c1 ZINC000247864348 257116388 /nfs/dbraw/zinc/11/63/88/257116388.db2.gz HSVAJZRWDUKAAW-WOJBJXKFSA-N 1 0 317.473 3.301 10 0 DGAERO CCc1noc(C2CCC([NH2+]C[C@H]3CCO[C@@H]3C(C)C)CC2)n1 ZINC000328619696 257264080 /nfs/dbraw/zinc/26/40/80/257264080.db2.gz GCPJYEWOTOWPPI-CLKYRPBMSA-N 1 0 321.465 3.309 10 0 DGAERO Cc1cccnc1CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000295016213 224380594 /nfs/dbraw/zinc/38/05/94/224380594.db2.gz MPWJZWQMZYQWLY-YLJYHZDGSA-N 1 0 309.457 3.043 10 0 DGAERO Cc1cccnc1CC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000295016211 224380945 /nfs/dbraw/zinc/38/09/45/224380945.db2.gz MPWJZWQMZYQWLY-XLIONFOSSA-N 1 0 309.457 3.043 10 0 DGAERO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](CC)CCc1nccs1 ZINC000121019059 195280434 /nfs/dbraw/zinc/28/04/34/195280434.db2.gz QLDXKWHGYXLICL-CABCVRRESA-N 1 0 323.506 3.187 10 0 DGAERO c1cnn(CC2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000122128194 195405240 /nfs/dbraw/zinc/40/52/40/195405240.db2.gz SXSPUXCBFCDYMR-UHFFFAOYSA-N 1 0 321.428 3.185 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000125500031 195756751 /nfs/dbraw/zinc/75/67/51/195756751.db2.gz NUHYIOSQEODOAR-IUODEOHRSA-N 1 0 317.351 3.145 10 0 DGAERO CCc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)oc1CC ZINC000127072019 195849025 /nfs/dbraw/zinc/84/90/25/195849025.db2.gz OZXJKSJBIUIMHQ-INIZCTEOSA-N 1 0 318.461 3.495 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)c2nc(C)nc3scc(C)c32)[C@H](C)C1 ZINC000125439150 285398474 /nfs/dbraw/zinc/39/84/74/285398474.db2.gz BPLATFRLDFOOQE-RISCZKNCSA-N 1 0 318.490 3.475 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1)C1CCCC1 ZINC000172170711 533494293 /nfs/dbraw/zinc/49/42/93/533494293.db2.gz WHNXSGXLLVRDOZ-KGLIPLIRSA-N 1 0 306.425 3.041 10 0 DGAERO Cc1cc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c(C)s1 ZINC000252390829 291986932 /nfs/dbraw/zinc/98/69/32/291986932.db2.gz OXUQCZKZLZQBBO-YOENINGUSA-N 1 0 306.475 3.463 10 0 DGAERO C[NH2+][C@H]1CCN(c2cc(Br)ccc2OC)[C@H](C)C1 ZINC000049714371 134758403 /nfs/dbraw/zinc/75/84/03/134758403.db2.gz YTYMJOOLTFNBAM-PWSUYJOCSA-N 1 0 313.239 3.034 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+]CCc2csc(N3CCCC3)n2)s1 ZINC000090417440 545826860 /nfs/dbraw/zinc/82/68/60/545826860.db2.gz LHKDOVQIOHTKNG-LLVKDONJSA-N 1 0 322.503 3.402 10 0 DGAERO C[C@@H]1CCN(C(=O)NC2CC[NH+](C)CC2)[C@H]1c1cccc(F)c1 ZINC000175174279 296513045 /nfs/dbraw/zinc/51/30/45/296513045.db2.gz OPCGGOJIZQVDEG-CXAGYDPISA-N 1 0 319.424 3.012 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N(C)Cc2ccsc2)CC1 ZINC000608712946 400109699 /nfs/dbraw/zinc/10/96/99/400109699.db2.gz YLGFVKVDSXUNNF-UHFFFAOYSA-N 1 0 309.479 3.012 10 0 DGAERO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000016339296 400172524 /nfs/dbraw/zinc/17/25/24/400172524.db2.gz CWORBUJUJXQILY-INIZCTEOSA-N 1 0 304.434 3.137 10 0 DGAERO C[NH+](C)[C@H]1CCN(CCNC(=O)OC(C)(C)C)c2ccccc21 ZINC000616590256 400178904 /nfs/dbraw/zinc/17/89/04/400178904.db2.gz YZYAECCKTAITNR-HNNXBMFYSA-N 1 0 319.449 3.024 10 0 DGAERO C[N@@H+]1CCCOC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000616599543 400181672 /nfs/dbraw/zinc/18/16/72/400181672.db2.gz KXSQZNREDUFGBS-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO c1ccc(CN2CC[NH2+][C@H](c3cccc4ncccc43)C2)cc1 ZINC000616602763 400181986 /nfs/dbraw/zinc/18/19/86/400181986.db2.gz NDZJKCUXWQLISK-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC[NH3+])cc1 ZINC000616608271 400183690 /nfs/dbraw/zinc/18/36/90/400183690.db2.gz OHQJFPIOFKRIMP-MRXNPFEDSA-N 1 0 319.449 3.154 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccccc1C1CC[NH+](CCO)CC1 ZINC000616609370 400184522 /nfs/dbraw/zinc/18/45/22/400184522.db2.gz TUKMMUQMKZAYBF-UHFFFAOYSA-N 1 0 320.433 3.205 10 0 DGAERO CSc1ccc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)nn1 ZINC000091482553 400123019 /nfs/dbraw/zinc/12/30/19/400123019.db2.gz IAMPAUCQMKNAIU-CQSZACIVSA-N 1 0 306.479 3.043 10 0 DGAERO [NH3+]C[C@@H]1C[C@@H]1c1cc(Br)cc(Br)c1 ZINC000307223421 400128697 /nfs/dbraw/zinc/12/86/97/400128697.db2.gz KCHGZGSYCMVIIZ-OIBJUYFYSA-N 1 0 305.013 3.274 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616620834 400186289 /nfs/dbraw/zinc/18/62/89/400186289.db2.gz MGPSBUSEEJMRHV-HNNXBMFYSA-N 1 0 319.449 3.172 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856496 400138909 /nfs/dbraw/zinc/13/89/09/400138909.db2.gz FORLJMICWXVJKG-FUHWJXTLSA-N 1 0 319.470 3.182 10 0 DGAERO CC(C)[N@@H+]1CCN[C@@H](c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000616632357 400187973 /nfs/dbraw/zinc/18/79/73/400187973.db2.gz OHWXOKCKLXKJDW-MRXNPFEDSA-N 1 0 319.449 3.388 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)[nH]1 ZINC000093084793 400224579 /nfs/dbraw/zinc/22/45/79/400224579.db2.gz ORLIEKUGASKDSM-WDEREUQCSA-N 1 0 304.312 3.012 10 0 DGAERO CC[NH+]1CCC(NC(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000588923147 400245563 /nfs/dbraw/zinc/24/55/63/400245563.db2.gz IZBFIFRJJDBZTN-UHFFFAOYSA-N 1 0 305.809 3.035 10 0 DGAERO c1ccc(CN2CCO[C@H](c3cc4ccccc4nn3)C2)cc1 ZINC000616642964 400191725 /nfs/dbraw/zinc/19/17/25/400191725.db2.gz PJHLWATWOCYLOR-IBGZPJMESA-N 1 0 305.381 3.203 10 0 DGAERO C[N@@H+]1CCCOC[C@@H]1c1ccccc1NC(=O)OC(C)(C)C ZINC000616646504 400193124 /nfs/dbraw/zinc/19/31/24/400193124.db2.gz HBCXBRMLVMRXOZ-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO CC(=O)Nc1ccc([C@@H]2COCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000616660816 400195162 /nfs/dbraw/zinc/19/51/62/400195162.db2.gz PNAXPYOMFYZYDG-IBGZPJMESA-N 1 0 324.424 3.261 10 0 DGAERO OCCc1ccc([C@H]2CCOCC[N@@H+]2Cc2ccccc2)cc1 ZINC000616659170 400195510 /nfs/dbraw/zinc/19/55/10/400195510.db2.gz NWUABGKFLFVCQT-HXUWFJFHSA-N 1 0 311.425 3.185 10 0 DGAERO CC[N@@H+]1CCOC[C@@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616661966 400195721 /nfs/dbraw/zinc/19/57/21/400195721.db2.gz WWYSBMXQSONCGI-AWEZNQCLSA-N 1 0 320.433 3.469 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2COCC[N@H+](C)C2)c1 ZINC000616661274 400195954 /nfs/dbraw/zinc/19/59/54/400195954.db2.gz OFVFMBMPEPCKKE-HNNXBMFYSA-N 1 0 320.433 3.104 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CC[NH2+]CCO2)cc1 ZINC000616663786 400196530 /nfs/dbraw/zinc/19/65/30/400196530.db2.gz ODXDDWLOIRVDAC-OAHLLOKOSA-N 1 0 306.406 3.109 10 0 DGAERO CCOC(=O)c1cccc([C@H]2CCc3ccccc3N2CC[NH3+])c1 ZINC000616668303 400196689 /nfs/dbraw/zinc/19/66/89/400196689.db2.gz IFBCVASWLOMZOK-LJQANCHMSA-N 1 0 324.424 3.316 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccc3cccnc3c2)Cc2ccccc21 ZINC000616674186 400199093 /nfs/dbraw/zinc/19/90/93/400199093.db2.gz YWIWLYZYYQXBEM-GOSISDBHSA-N 1 0 303.409 3.340 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1cncc2ccccc21 ZINC000616678575 400200651 /nfs/dbraw/zinc/20/06/51/400200651.db2.gz JXFOJFLUEYMZNC-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1cccc2cccnc21 ZINC000616679521 400200710 /nfs/dbraw/zinc/20/07/10/400200710.db2.gz VPUIEXCUUUHWGA-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccc2cnccc2c1 ZINC000616682585 400202658 /nfs/dbraw/zinc/20/26/58/400202658.db2.gz KKGIXRSNKUCTEC-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cccc2cccnc21 ZINC000616682555 400202933 /nfs/dbraw/zinc/20/29/33/400202933.db2.gz HWLASNZEHOWDJJ-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cccc2ccncc21 ZINC000616691736 400206755 /nfs/dbraw/zinc/20/67/55/400206755.db2.gz MCKJKWFASQCDKY-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388202874 400265978 /nfs/dbraw/zinc/26/59/78/400265978.db2.gz SMDKDHOKWJMSSL-RDGPPVDQSA-N 1 0 312.457 3.156 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNCc1ccsc1Br ZINC000388970890 400267477 /nfs/dbraw/zinc/26/74/77/400267477.db2.gz JZTJZDYLKZPRPJ-SNVBAGLBSA-N 1 0 305.285 3.331 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1Br ZINC000388894256 400267748 /nfs/dbraw/zinc/26/77/48/400267748.db2.gz PVYTXXQAYVCKHT-WDEREUQCSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000095089070 400273442 /nfs/dbraw/zinc/27/34/42/400273442.db2.gz WRHTYBYRDPHKIU-ZIAGYGMSSA-N 1 0 307.438 3.312 10 0 DGAERO O=c1ccc(C[NH2+][C@H]2CCc3cc(Br)ccc32)c[nH]1 ZINC000392628347 400278408 /nfs/dbraw/zinc/27/84/08/400278408.db2.gz HXYOQLFQGOMVPV-AWEZNQCLSA-N 1 0 319.202 3.327 10 0 DGAERO Cc1ccc(C(=O)N2C[C@@H]([NH3+])CC[C@H]2C(F)(F)F)cc1Cl ZINC000393281035 400279024 /nfs/dbraw/zinc/27/90/24/400279024.db2.gz YIMCSZCDHABFCR-JQWIXIFHSA-N 1 0 320.742 3.143 10 0 DGAERO C[C@@H](NC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1Cl ZINC000399083621 400287662 /nfs/dbraw/zinc/28/76/62/400287662.db2.gz SYDOKCPOGJRJAH-LLVKDONJSA-N 1 0 317.260 3.101 10 0 DGAERO C[C@H]1C[C@@H](CC(=O)Nc2cnn(CC[NH+](C)C)c2)CC(C)(C)C1 ZINC000589347714 400290900 /nfs/dbraw/zinc/29/09/00/400290900.db2.gz KAVQYDXOJUEYRZ-GJZGRUSLSA-N 1 0 320.481 3.236 10 0 DGAERO Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)nc(-c2ccncc2)n1 ZINC000068874807 400297101 /nfs/dbraw/zinc/29/71/01/400297101.db2.gz CKFDCDNCDFDGME-MRXNPFEDSA-N 1 0 313.449 3.235 10 0 DGAERO COc1ccc([C@@H]2[C@H]3C[N@H+](C)C[C@H]3CN2Cc2ccccc2)cc1 ZINC000409430806 400301555 /nfs/dbraw/zinc/30/15/55/400301555.db2.gz NGGDENQKQQBPEO-SESVDKBCSA-N 1 0 322.452 3.430 10 0 DGAERO Cc1ccc([C@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)c(Cl)c1 ZINC000409422270 400301631 /nfs/dbraw/zinc/30/16/31/400301631.db2.gz DJHKNMZVOYKEGM-OCCSQVGLSA-N 1 0 310.825 3.229 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)NCC2CCCCC2)cc1F ZINC000102698621 400303370 /nfs/dbraw/zinc/30/33/70/400303370.db2.gz GCKXIONIRFMAHU-CYBMUJFWSA-N 1 0 322.424 3.181 10 0 DGAERO COC(=O)CCCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000610797527 400307587 /nfs/dbraw/zinc/30/75/87/400307587.db2.gz YBSJMDXHBCFVCX-NSHDSACASA-N 1 0 314.223 3.443 10 0 DGAERO c1coc(COCc2cccc(C[NH2+]Cc3cncnc3)c2)c1 ZINC000589641465 400314919 /nfs/dbraw/zinc/31/49/19/400314919.db2.gz PEKNJIBGMRUXPL-UHFFFAOYSA-N 1 0 309.369 3.076 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+]C1(c2ccccc2)CCC1 ZINC000104665023 400315719 /nfs/dbraw/zinc/31/57/19/400315719.db2.gz SPUFEDZEXSAJRA-UHFFFAOYSA-N 1 0 310.397 3.303 10 0 DGAERO O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917453 400394904 /nfs/dbraw/zinc/39/49/04/400394904.db2.gz LFDGSTUSHLJPNP-WFASDCNBSA-N 1 0 307.825 3.336 10 0 DGAERO C[NH+](C)CCCOCc1cc(F)c(F)cc1Br ZINC000114811838 400390083 /nfs/dbraw/zinc/39/00/83/400390083.db2.gz AJNPCJREJLSMRV-UHFFFAOYSA-N 1 0 308.166 3.196 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106904715 400332274 /nfs/dbraw/zinc/33/22/74/400332274.db2.gz DRQSXBAYGCBSKV-LPHOPBHVSA-N 1 0 310.441 3.345 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106904714 400332778 /nfs/dbraw/zinc/33/27/78/400332778.db2.gz DRQSXBAYGCBSKV-APWZRJJASA-N 1 0 310.441 3.345 10 0 DGAERO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000108540420 400345780 /nfs/dbraw/zinc/34/57/80/400345780.db2.gz VHFZVEDXIISQGW-STQMWFEESA-N 1 0 309.841 3.042 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cnc(C)s1)c1ccccc1 ZINC000611152394 400352286 /nfs/dbraw/zinc/35/22/86/400352286.db2.gz PJGYSDFQIZAYCU-HNNXBMFYSA-N 1 0 318.442 3.482 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(N2CCCC2=O)cc1 ZINC000117074699 400414303 /nfs/dbraw/zinc/41/43/03/400414303.db2.gz OTGARGQJSIRZBR-INIZCTEOSA-N 1 0 316.445 3.457 10 0 DGAERO O=c1c(C[NH2+]CCc2ccccc2)cc2cccc3c2n1CCC3 ZINC000039287246 400397779 /nfs/dbraw/zinc/39/77/79/400397779.db2.gz LBOJBHAMXZEINS-UHFFFAOYSA-N 1 0 318.420 3.280 10 0 DGAERO Clc1cc(NC2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000040431941 400400305 /nfs/dbraw/zinc/40/03/05/400400305.db2.gz XAXBYAMSIZUYFA-UHFFFAOYSA-N 1 0 302.809 3.207 10 0 DGAERO Cc1cccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000115857669 400402840 /nfs/dbraw/zinc/40/28/40/400402840.db2.gz RFEMSWNJGFDNBK-IAGOWNOFSA-N 1 0 315.461 3.244 10 0 DGAERO C[NH+](C)CCCNc1nccc2c(Br)cccc21 ZINC000118769318 400431116 /nfs/dbraw/zinc/43/11/16/400431116.db2.gz HZLKBRFKQALYEG-UHFFFAOYSA-N 1 0 308.223 3.361 10 0 DGAERO COC(=O)[C@H](C1CC1)[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611661764 400435220 /nfs/dbraw/zinc/43/52/20/400435220.db2.gz ZCEUPOWSHWYZJR-FGTMMUONSA-N 1 0 317.429 3.038 10 0 DGAERO CC(C)(C)OC[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000119976603 400441815 /nfs/dbraw/zinc/44/18/15/400441815.db2.gz JWPWCYQGPFEADV-OAHLLOKOSA-N 1 0 311.853 3.485 10 0 DGAERO O=C(CC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F)N1CCCCC1 ZINC000123769778 400471525 /nfs/dbraw/zinc/47/15/25/400471525.db2.gz CFFNJUWQOACZFR-OLZOCXBDSA-N 1 0 306.372 3.100 10 0 DGAERO C[C@H]1C[C@@H]([NH3+])CCN1CCOc1c(Cl)cccc1Cl ZINC000124500428 400476349 /nfs/dbraw/zinc/47/63/49/400476349.db2.gz KTNQZULVPOSALG-QWRGUYRKSA-N 1 0 303.233 3.184 10 0 DGAERO CCOc1cc([C@H]([NH3+])CCO)ccc1OCc1ccccc1 ZINC000044234861 400486662 /nfs/dbraw/zinc/48/66/62/400486662.db2.gz VHQNUIDTETVVFK-MRXNPFEDSA-N 1 0 301.386 3.047 10 0 DGAERO COC(=O)c1csc(C[NH2+][C@H](C)COCc2ccccc2)c1 ZINC000602558496 400496259 /nfs/dbraw/zinc/49/62/59/400496259.db2.gz BTVBSFNJIVDTQX-CYBMUJFWSA-N 1 0 319.426 3.230 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000132651292 400561348 /nfs/dbraw/zinc/56/13/48/400561348.db2.gz OYEGRIOUSKAFNR-KRWDZBQOSA-N 1 0 319.445 3.436 10 0 DGAERO O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@H+](CCc2ccccc2F)C1 ZINC000137622217 400595300 /nfs/dbraw/zinc/59/53/00/400595300.db2.gz XECAZJSXDMAZMI-RDTXWAMCSA-N 1 0 321.342 3.454 10 0 DGAERO CC[NH+](CC)CCNc1nncc2cc(Br)ccc21 ZINC000147521746 400652416 /nfs/dbraw/zinc/65/24/16/400652416.db2.gz RNSATTIUWXFOIE-UHFFFAOYSA-N 1 0 323.238 3.146 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000076483465 400657172 /nfs/dbraw/zinc/65/71/72/400657172.db2.gz LOKFSARCXORPLV-HIFRSBDPSA-N 1 0 320.502 3.429 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)COCc2ccco2)cc1 ZINC000151135865 400670405 /nfs/dbraw/zinc/67/04/05/400670405.db2.gz CNZSHUOVXNOMAO-WMZOPIPTSA-N 1 0 317.429 3.029 10 0 DGAERO CN(C[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1CCCc2cccnc21 ZINC000166210857 400754127 /nfs/dbraw/zinc/75/41/27/400754127.db2.gz LIWPNVORVRLEFN-MOPGFXCFSA-N 1 0 307.441 3.105 10 0 DGAERO CC(C)OC(=O)CC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000158916942 400727097 /nfs/dbraw/zinc/72/70/97/400727097.db2.gz AKIVVTVASHTFJZ-LLVKDONJSA-N 1 0 314.223 3.441 10 0 DGAERO O=C(Nc1ccc2nccn2c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000603886281 400730136 /nfs/dbraw/zinc/73/01/36/400730136.db2.gz XXOYHYUPYWWCDM-UHFFFAOYSA-N 1 0 320.396 3.182 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000618986444 400739012 /nfs/dbraw/zinc/73/90/12/400739012.db2.gz DAMUUISRHCTJMQ-CVEARBPZSA-N 1 0 310.482 3.009 10 0 DGAERO CC(C)[NH2+][C@@H]1CCCN(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000603494185 400692852 /nfs/dbraw/zinc/69/28/52/400692852.db2.gz YVIYDODVBAMCPP-CQSZACIVSA-N 1 0 320.824 3.357 10 0 DGAERO C[NH2+][C@@H](c1ccc(I)cc1)C1CCC1 ZINC000157330566 400716405 /nfs/dbraw/zinc/71/64/05/400716405.db2.gz MQRSREHARZQKEP-GFCCVEGCSA-N 1 0 301.171 3.352 10 0 DGAERO CCCOc1ccc(Cl)cc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307600 400817633 /nfs/dbraw/zinc/81/76/33/400817633.db2.gz VTRFBLHDCBFDNV-GFCCVEGCSA-N 1 0 310.825 3.457 10 0 DGAERO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)C12CC3CC(CC(C3)C1)C2 ZINC000170835594 400776288 /nfs/dbraw/zinc/77/62/88/400776288.db2.gz KHXVPBXCHXWPLU-XUXNNNHQSA-N 1 0 314.477 3.387 10 0 DGAERO CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170865763 400777252 /nfs/dbraw/zinc/77/72/52/400777252.db2.gz CGVJHURRMRUAKN-QGZVFWFLSA-N 1 0 323.440 3.231 10 0 DGAERO C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000170976527 400779776 /nfs/dbraw/zinc/77/97/76/400779776.db2.gz DOMDGMKDXMLZGZ-INIZCTEOSA-N 1 0 302.462 3.201 10 0 DGAERO Brc1cccc(C2([NH2+]Cc3cncnc3)CCC2)c1 ZINC000171134779 400787238 /nfs/dbraw/zinc/78/72/38/400787238.db2.gz PSOQPTNPBHQOBQ-UHFFFAOYSA-N 1 0 318.218 3.408 10 0 DGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1csc2ccccc12 ZINC000605522179 400872451 /nfs/dbraw/zinc/87/24/51/400872451.db2.gz MZNBUGNSAVNNDG-OAHLLOKOSA-N 1 0 316.470 3.434 10 0 DGAERO CC(C)CCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079578075 400877382 /nfs/dbraw/zinc/87/73/82/400877382.db2.gz FTXVIHVFRGSYAY-UHFFFAOYSA-N 1 0 317.477 3.470 10 0 DGAERO Cc1ccc([C@H](CNC(=O)NCCCC2CC2)[NH+](C)C)cc1 ZINC000605604540 400880259 /nfs/dbraw/zinc/88/02/59/400880259.db2.gz GMZIXICLBXFRMG-KRWDZBQOSA-N 1 0 303.450 3.087 10 0 DGAERO CC[C@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C)cc1 ZINC000172349684 400823268 /nfs/dbraw/zinc/82/32/68/400823268.db2.gz MHDUCQNXCZYBDV-SJLPKXTDSA-N 1 0 300.446 3.185 10 0 DGAERO CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000172521368 400831867 /nfs/dbraw/zinc/83/18/67/400831867.db2.gz YCAMLVMHEUVUMF-MRXNPFEDSA-N 1 0 310.388 3.216 10 0 DGAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccccc1Br ZINC000054685599 400834954 /nfs/dbraw/zinc/83/49/54/400834954.db2.gz SVQRXVUBJQPARW-GJZGRUSLSA-N 1 0 306.203 3.053 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)on1 ZINC000055403828 400867046 /nfs/dbraw/zinc/86/70/46/400867046.db2.gz UJQJZGUMFWXEOD-INIZCTEOSA-N 1 0 319.792 3.316 10 0 DGAERO Cc1ccn(-c2cc(Nc3cc[nH+]cc3)c3cccnc3n2)n1 ZINC000199030453 400936490 /nfs/dbraw/zinc/93/64/90/400936490.db2.gz UHPXPYBHSGFUAV-UHFFFAOYSA-N 1 0 302.341 3.263 10 0 DGAERO CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620190578 401008027 /nfs/dbraw/zinc/00/80/27/401008027.db2.gz NQJXYGKOKSQFJU-QGZVFWFLSA-N 1 0 300.446 3.205 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000245398656 401008745 /nfs/dbraw/zinc/00/87/45/401008745.db2.gz UBPRTUGFVGMCOX-XQQFMLRXSA-N 1 0 323.403 3.137 10 0 DGAERO CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620193057 401010219 /nfs/dbraw/zinc/01/02/19/401010219.db2.gz YUIFKQDJTYSLME-QGZVFWFLSA-N 1 0 314.473 3.451 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620932709 401015380 /nfs/dbraw/zinc/01/53/80/401015380.db2.gz FPCDENKUBNZQJJ-OAHLLOKOSA-N 1 0 322.493 3.010 10 0 DGAERO [O-][N+]1=CC(c2ccc(-c3ccccc3)cc2)=[N+](O)[C@@H]2CCCC[C@H]21 ZINC000225404747 400956512 /nfs/dbraw/zinc/95/65/12/400956512.db2.gz GHHTWYOGPBJXAH-RTBURBONSA-N 1 0 322.408 3.342 10 0 DGAERO CC(C)COCCC(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000606814202 400962702 /nfs/dbraw/zinc/96/27/02/400962702.db2.gz DOUJVTHYWFKLKQ-UHFFFAOYSA-N 1 0 318.461 3.178 10 0 DGAERO c1csc(CC[NH+]2CCN(c3ncnc4ccccc43)CC2)c1 ZINC000057141374 400974196 /nfs/dbraw/zinc/97/41/96/400974196.db2.gz MKKRGHFVFVEBBN-UHFFFAOYSA-N 1 0 324.453 3.056 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)COCc2ccco2)cc1 ZINC000247275440 401048831 /nfs/dbraw/zinc/04/88/31/401048831.db2.gz CNZSHUOVXNOMAO-FUHWJXTLSA-N 1 0 317.429 3.029 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000247382812 401053039 /nfs/dbraw/zinc/05/30/39/401053039.db2.gz LPAABCGQCHRXRT-FHWLQOOXSA-N 1 0 314.473 3.466 10 0 DGAERO C[C@@H](O)C[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1 ZINC000607359817 401053170 /nfs/dbraw/zinc/05/31/70/401053170.db2.gz STSFDEPZGYAALK-OAHLLOKOSA-N 1 0 303.377 3.088 10 0 DGAERO c1ccc2c(c1)CC[C@H]2[N@H+](CCOC1CCOCC1)C1CC1 ZINC000625232640 401067564 /nfs/dbraw/zinc/06/75/64/401067564.db2.gz MCBIXQOWYGPOIT-LJQANCHMSA-N 1 0 301.430 3.334 10 0 DGAERO c1cc(-c2cccc3c2OCCCO3)cc([C@@H]2COCC[NH2+]2)c1 ZINC000629739335 401071729 /nfs/dbraw/zinc/07/17/29/401071729.db2.gz RRPYKVKSLVVJGR-KRWDZBQOSA-N 1 0 311.381 3.176 10 0 DGAERO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000248500234 401072219 /nfs/dbraw/zinc/07/22/19/401072219.db2.gz SSBPWCLPNYUYOS-ZIAGYGMSSA-N 1 0 317.351 3.009 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000246175214 401021932 /nfs/dbraw/zinc/02/19/32/401021932.db2.gz YOCWZXCUCALHLH-DAXOMENPSA-N 1 0 321.852 3.185 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246453305 401029293 /nfs/dbraw/zinc/02/92/93/401029293.db2.gz OUPUBWUDEUHOTP-YJBOKZPZSA-N 1 0 315.461 3.190 10 0 DGAERO CCC(CC)[N@H+](CCOC)Cc1ccncc1Br ZINC000625140459 401041259 /nfs/dbraw/zinc/04/12/59/401041259.db2.gz SHEOKXBUJCNGTH-UHFFFAOYSA-N 1 0 315.255 3.481 10 0 DGAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000607660445 401102290 /nfs/dbraw/zinc/10/22/90/401102290.db2.gz NLRWBYKUTCIHQP-ZBEGNZNMSA-N 1 0 319.836 3.234 10 0 DGAERO c1ccc([C@H]2CCCC[C@@H]2[NH2+]CCOC2CCOCC2)cc1 ZINC000625334574 401102833 /nfs/dbraw/zinc/10/28/33/401102833.db2.gz RWNGDIUIPNJQRM-MOPGFXCFSA-N 1 0 303.446 3.498 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000262608358 401117467 /nfs/dbraw/zinc/11/74/67/401117467.db2.gz HQQRTFHEQSHITL-FMKPAKJESA-N 1 0 304.434 3.358 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000262608359 401117993 /nfs/dbraw/zinc/11/79/93/401117993.db2.gz HQQRTFHEQSHITL-LZWOXQAQSA-N 1 0 304.434 3.358 10 0 DGAERO COc1cc(F)c([C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000358230122 286004421 /nfs/dbraw/zinc/00/44/21/286004421.db2.gz RWWUBKOMQRYKFE-AWEZNQCLSA-N 1 0 322.424 3.146 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000358236511 286007029 /nfs/dbraw/zinc/00/70/29/286007029.db2.gz YZNGECDJAAGKGN-ICSRJNTNSA-N 1 0 314.473 3.396 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)NCC2(C)CC2)[C@H]1c1cccs1 ZINC000358263542 286014680 /nfs/dbraw/zinc/01/46/80/286014680.db2.gz HIMVTJDADMAHNT-HIFRSBDPSA-N 1 0 321.490 3.230 10 0 DGAERO C[C@@H](C(=O)NC[C@@H]1C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600005910 401169245 /nfs/dbraw/zinc/16/92/45/401169245.db2.gz FLXVFFYRRGJPQV-GJYPPUQNSA-N 1 0 314.473 3.102 10 0 DGAERO CC1(C)C[C@@H]([NH2+]CC[C@@H]2COc3ccccc3O2)C(C)(C)O1 ZINC000358287140 286020920 /nfs/dbraw/zinc/02/09/20/286020920.db2.gz IVRXMMCVYQOEOT-CZUORRHYSA-N 1 0 305.418 3.152 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000062652605 401176908 /nfs/dbraw/zinc/17/69/08/401176908.db2.gz INPUSUWPYUFAKY-KBPBESRZSA-N 1 0 307.463 3.079 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@@H](N3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000625780110 401214708 /nfs/dbraw/zinc/21/47/08/401214708.db2.gz XWVRGQRQCUUFMU-KURKYZTESA-N 1 0 302.487 3.231 10 0 DGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cscc1C(F)(F)F ZINC000621623957 401263058 /nfs/dbraw/zinc/26/30/58/401263058.db2.gz QVGHIJIFSYMART-NSHDSACASA-N 1 0 308.369 3.212 10 0 DGAERO [NH3+]C[C@@H](NC(=O)c1cscc1C(F)(F)F)C1CCCC1 ZINC000621663831 401272518 /nfs/dbraw/zinc/27/25/18/401272518.db2.gz BPPRQMDQFSFLNK-LLVKDONJSA-N 1 0 306.353 3.014 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Cl)ccc2Cl)C[NH2+]1 ZINC000625826876 401229055 /nfs/dbraw/zinc/22/90/55/401229055.db2.gz OCXYEPMOVALMNZ-PSASIEDQSA-N 1 0 302.205 3.255 10 0 DGAERO Cc1ccc(-c2noc([C@@H](N)C[N@@H+](C)Cc3ccccc3)n2)cc1 ZINC000634554236 401307311 /nfs/dbraw/zinc/30/73/11/401307311.db2.gz TXJCRVFUPLBPMN-KRWDZBQOSA-N 1 0 322.412 3.177 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000066197137 401297238 /nfs/dbraw/zinc/29/72/38/401297238.db2.gz VPCFLHXJPNFQOP-CYBMUJFWSA-N 1 0 311.857 3.212 10 0 DGAERO c1ccc(N2CCO[C@H](C[N@@H+]3CCCC4(CC4)CC3)C2)cc1 ZINC000626115259 401303402 /nfs/dbraw/zinc/30/34/02/401303402.db2.gz MMICFTUQESAHIN-GOSISDBHSA-N 1 0 300.446 3.158 10 0 DGAERO c1cnn(-c2ccccc2C[NH2+]Cc2ccnn2CC2CCC2)c1 ZINC000631056182 401379821 /nfs/dbraw/zinc/37/98/21/401379821.db2.gz KYXQNRMNEONUGZ-UHFFFAOYSA-N 1 0 321.428 3.159 10 0 DGAERO CCc1nc2ccccc2c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000622357747 401381293 /nfs/dbraw/zinc/38/12/93/401381293.db2.gz NMBZLUITZLOBNQ-OAHLLOKOSA-N 1 0 323.440 3.026 10 0 DGAERO CC(C)CC1(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)CCCC1 ZINC000634968660 401391162 /nfs/dbraw/zinc/39/11/62/401391162.db2.gz UIWXTUGGMCAAJZ-OAHLLOKOSA-N 1 0 301.496 3.150 10 0 DGAERO c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n(CC2CCC2)n1 ZINC000631106270 401395513 /nfs/dbraw/zinc/39/55/13/401395513.db2.gz MXWYHDDPOVTAKA-KZNAEPCWSA-N 1 0 315.461 3.121 10 0 DGAERO c1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)no1 ZINC000634986990 401395874 /nfs/dbraw/zinc/39/58/74/401395874.db2.gz JPTXXPCOIJDLGS-KRWDZBQOSA-N 1 0 311.429 3.067 10 0 DGAERO O=C(Nc1cccc(Br)c1)C12CCC[NH+](CCC1)C2 ZINC000635059514 401408767 /nfs/dbraw/zinc/40/87/67/401408767.db2.gz SKIHYMGSGPWVCL-UHFFFAOYSA-N 1 0 323.234 3.264 10 0 DGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCCC12CC2 ZINC000631194036 401421731 /nfs/dbraw/zinc/42/17/31/401421731.db2.gz UMARVZXYFMZWNN-CQSZACIVSA-N 1 0 313.850 3.166 10 0 DGAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+][C@@H]1CCCC12CC2 ZINC000631192729 401421783 /nfs/dbraw/zinc/42/17/83/401421783.db2.gz OZAYMMPXCCTWAZ-MRXNPFEDSA-N 1 0 311.385 3.228 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C[C@H]3CCSC3)[C@H]21 ZINC000631194564 401422995 /nfs/dbraw/zinc/42/29/95/401422995.db2.gz UOYCVEVEAILYTD-PWFWHMEDSA-N 1 0 324.287 3.430 10 0 DGAERO c1ccc(CN2CCCCC[C@H]([NH2+]CC3=CCCOC3)C2)cc1 ZINC000631206421 401425792 /nfs/dbraw/zinc/42/57/92/401425792.db2.gz UNPQUEFYDIMGRK-FQEVSTJZSA-N 1 0 314.473 3.368 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000631223226 401430045 /nfs/dbraw/zinc/43/00/45/401430045.db2.gz ZDUBWBYOKVAIIV-FHOOGIDHSA-N 1 0 324.287 3.430 10 0 DGAERO c1cc(-c2ccc(C[NH2+]Cc3cccc4c3CCOC4)o2)n[nH]1 ZINC000631244246 401435662 /nfs/dbraw/zinc/43/56/62/401435662.db2.gz OWQGACQWIDNYGG-UHFFFAOYSA-N 1 0 309.369 3.032 10 0 DGAERO Brc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)o1 ZINC000631252735 401438632 /nfs/dbraw/zinc/43/86/32/401438632.db2.gz CECBGTCNWXKWGV-GXTWGEPZSA-N 1 0 314.223 3.479 10 0 DGAERO c1cncc([C@H]2C[C@H]([NH2+][C@H]3CCCc4ncccc43)CCO2)c1 ZINC000631642621 401522314 /nfs/dbraw/zinc/52/23/14/401522314.db2.gz PINCTIKBRZUGRI-AYOQOUSVSA-N 1 0 309.413 3.364 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC000631887010 401564102 /nfs/dbraw/zinc/56/41/02/401564102.db2.gz NTMCRDOUCRKNLP-PKOBYXMFSA-N 1 0 314.473 3.388 10 0 DGAERO CN1CCOC[C@@H]1C[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000623710390 401570901 /nfs/dbraw/zinc/57/09/01/401570901.db2.gz BCUGOHLVRRVMQN-VIFPVBQESA-N 1 0 323.651 3.067 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(Br)c1 ZINC000623754914 401576671 /nfs/dbraw/zinc/57/66/71/401576671.db2.gz VKLQJFDPGQTIAL-DZGCQCFKSA-N 1 0 310.235 3.415 10 0 DGAERO CC[C@H]1CCCC[C@@H]1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000628336876 401577912 /nfs/dbraw/zinc/57/79/12/401577912.db2.gz RCSNZNVGOPCQCN-LSDHHAIUSA-N 1 0 301.496 3.007 10 0 DGAERO c1nn[nH]c1C[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000628363396 401583215 /nfs/dbraw/zinc/58/32/15/401583215.db2.gz ILLVRKWCCJGXPE-SFHVURJKSA-N 1 0 306.413 3.138 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000623823593 401583653 /nfs/dbraw/zinc/58/36/53/401583653.db2.gz BSDRMBIUWSTNEN-JGZJWPJOSA-N 1 0 302.187 3.103 10 0 DGAERO CO[C@](C)(C[NH2+]Cc1ccnc(C)c1)COCc1ccccc1 ZINC000623563755 401547695 /nfs/dbraw/zinc/54/76/95/401547695.db2.gz JGEGBTPIQQEFSE-LJQANCHMSA-N 1 0 314.429 3.102 10 0 DGAERO Cc1nc(C)c(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)o1 ZINC000628210198 401550088 /nfs/dbraw/zinc/55/00/88/401550088.db2.gz KXXREVWEPGJUPQ-SFHVURJKSA-N 1 0 313.445 3.436 10 0 DGAERO c1c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)[nH]nc1-c1ccccc1 ZINC000623602189 401554051 /nfs/dbraw/zinc/55/40/51/401554051.db2.gz FYQVAPFBXPLHCC-IBGZPJMESA-N 1 0 319.408 3.308 10 0 DGAERO c1ccc(N2CC[C@H]([NH2+]C[C@H]3CCN3C3CCCCC3)C2)cc1 ZINC000623614451 401556557 /nfs/dbraw/zinc/55/65/57/401556557.db2.gz HDOSCAURKGUZOW-FXAWDEMLSA-N 1 0 313.489 3.262 10 0 DGAERO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632857312 401632550 /nfs/dbraw/zinc/63/25/50/401632550.db2.gz SSUGPXLMVUFBDB-SMDDNHRTSA-N 1 0 313.228 3.208 10 0 DGAERO O=C(c1cc2sccc2s1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632875101 401634239 /nfs/dbraw/zinc/63/42/39/401634239.db2.gz JGGIAAJJQNRZOK-GHMZBOCLSA-N 1 0 306.456 3.177 10 0 DGAERO CC[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000624172242 401634498 /nfs/dbraw/zinc/63/44/98/401634498.db2.gz KGBJJLYVKZGLSD-SWLSCSKDSA-N 1 0 317.260 3.365 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCCCC[C@H]([NH3+])C2)cc1Cl ZINC000632931226 401639045 /nfs/dbraw/zinc/63/90/45/401639045.db2.gz IICRCOPZLYLNOK-LBPRGKRZSA-N 1 0 323.824 3.278 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C2 ZINC000624056107 401619581 /nfs/dbraw/zinc/61/95/81/401619581.db2.gz XWJVSOHUHKOIAV-IYWMVGAKSA-N 1 0 315.457 3.313 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@H](C)C[NH+](C)C)o1 ZINC000358517691 286082479 /nfs/dbraw/zinc/08/24/79/286082479.db2.gz CTDCHWQZWBRKCH-NFAWXSAZSA-N 1 0 307.438 3.021 10 0 DGAERO CC[N@H+](CCC1CCN(Cc2ncc(C)cn2)CC1)CC(C)C ZINC000358733750 286136157 /nfs/dbraw/zinc/13/61/57/286136157.db2.gz CIDIVNQESPGPLV-UHFFFAOYSA-N 1 0 318.509 3.365 10 0 DGAERO C[C@@H](CSc1nnc(CCCc2ccccc2)o1)[NH+](C)C ZINC000358790259 286155060 /nfs/dbraw/zinc/15/50/60/286155060.db2.gz KAJQSONAZUDVKT-ZDUSSCGKSA-N 1 0 305.447 3.287 10 0 DGAERO COc1ccc(-n2ccnc2SC[C@H](C)[NH+](C)C)c(C)c1 ZINC000358842643 286167097 /nfs/dbraw/zinc/16/70/97/286167097.db2.gz QZWFHJFADZQAOP-ZDUSSCGKSA-N 1 0 305.447 3.232 10 0 DGAERO Cc1ccc(C)c(OCc2nnc(SC[C@@H](C)[NH+](C)C)o2)c1 ZINC000358865705 286172492 /nfs/dbraw/zinc/17/24/92/286172492.db2.gz YWYAGPPOGITVLH-CYBMUJFWSA-N 1 0 321.446 3.308 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CC[C@H]1CCOC1 ZINC000359002201 286211532 /nfs/dbraw/zinc/21/15/32/286211532.db2.gz LJXNKIQNHGWHBK-MAUKXSAKSA-N 1 0 311.429 3.266 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000359025300 286218315 /nfs/dbraw/zinc/21/83/15/286218315.db2.gz GSKQBMZPJRUVSG-TZMCWYRMSA-N 1 0 306.475 3.146 10 0 DGAERO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1OC(C)C ZINC000245776663 286220814 /nfs/dbraw/zinc/22/08/14/286220814.db2.gz SSCVBGIHRFETGD-RDJZCZTQSA-N 1 0 318.461 3.151 10 0 DGAERO c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCN2CC=CCC2)cc1 ZINC000359061703 286227371 /nfs/dbraw/zinc/22/73/71/286227371.db2.gz CTDLKNPTUKNQCJ-PKOBYXMFSA-N 1 0 300.446 3.006 10 0 DGAERO c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCN2CC=CCC2)cc1 ZINC000359061700 286227461 /nfs/dbraw/zinc/22/74/61/286227461.db2.gz CTDLKNPTUKNQCJ-MJGOQNOKSA-N 1 0 300.446 3.006 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2ncco2)c1C ZINC000359131518 286244102 /nfs/dbraw/zinc/24/41/02/286244102.db2.gz JXVZSXDXFXOOJO-INIZCTEOSA-N 1 0 313.401 3.463 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2nnc3n2CCCC3)C1(CC)CC ZINC000245960666 286292007 /nfs/dbraw/zinc/29/20/07/286292007.db2.gz YBPYTJVVVXZUBU-RBSFLKMASA-N 1 0 320.481 3.249 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@@H](C)Sc2ccccc2)CC1 ZINC000359492164 286319587 /nfs/dbraw/zinc/31/95/87/286319587.db2.gz HXUHZSGDEFHZRT-OAHLLOKOSA-N 1 0 320.502 3.405 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2sccc2C2CC2)CC1 ZINC000359492101 286319617 /nfs/dbraw/zinc/31/96/17/286319617.db2.gz HHPBTVNPFVJEHG-UHFFFAOYSA-N 1 0 306.475 3.477 10 0 DGAERO CC[C@](C)(OC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000359556672 286335259 /nfs/dbraw/zinc/33/52/59/286335259.db2.gz FLHLEZIEHQLMKU-QRTARXTBSA-N 1 0 324.490 3.062 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000359580181 286340687 /nfs/dbraw/zinc/34/06/87/286340687.db2.gz UYGWMHVFNMOPTD-UKRRQHHQSA-N 1 0 324.852 3.098 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000359613958 286347197 /nfs/dbraw/zinc/34/71/97/286347197.db2.gz SUJORFPVTIXFBE-CZUORRHYSA-N 1 0 324.852 3.098 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC2)C12CCOCC2 ZINC000186229412 286384816 /nfs/dbraw/zinc/38/48/16/286384816.db2.gz DPYDTKLCDGNRFC-ZWKOTPCHSA-N 1 0 315.457 3.282 10 0 DGAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360030081 286411148 /nfs/dbraw/zinc/41/11/48/286411148.db2.gz UAPODIZFBSPPKU-RDJZCZTQSA-N 1 0 317.477 3.223 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)CCCO2 ZINC000187854195 286424355 /nfs/dbraw/zinc/42/43/55/286424355.db2.gz ZOWSEHQHNZWLBI-HOCLYGCPSA-N 1 0 305.418 3.456 10 0 DGAERO C[C@H](CC[NH2+][C@H]1C[C@H](C)Sc2sccc21)[S@](C)=O ZINC000090517521 289491966 /nfs/dbraw/zinc/49/19/66/289491966.db2.gz AXTNVANMRIOWDH-JIGGAODRSA-N 1 0 303.518 3.420 10 0 DGAERO O=C1C[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)CN1c1ccccc1F ZINC000361190510 286620166 /nfs/dbraw/zinc/62/01/66/286620166.db2.gz ZEFXSKKVGYFMMQ-DZKIICNBSA-N 1 0 302.393 3.099 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000179523689 292383303 /nfs/dbraw/zinc/38/33/03/292383303.db2.gz KDMSQICCGUKGJN-JCURWCKSSA-N 1 0 312.404 3.115 10 0 DGAERO COCCC[C@H](C)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000187702615 292382940 /nfs/dbraw/zinc/38/29/40/292382940.db2.gz ZSGFZNSUZIPNCK-HKUYNNGSSA-N 1 0 304.478 3.446 10 0 DGAERO c1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)c1)OCO2 ZINC000361896996 286741036 /nfs/dbraw/zinc/74/10/36/286741036.db2.gz OJEDDUFKSWHPRT-FVQBIDKESA-N 1 0 303.402 3.100 10 0 DGAERO CC[C@@H]([NH2+]CCc1cccc(OC)n1)c1ccc(OC)cc1 ZINC000361919029 286744871 /nfs/dbraw/zinc/74/48/71/286744871.db2.gz NJLHYOJFOIZAPY-QGZVFWFLSA-N 1 0 300.402 3.382 10 0 DGAERO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000230155582 165393705 /nfs/dbraw/zinc/39/37/05/165393705.db2.gz NYCWIZXNXHALQE-ZANVPECISA-N 1 0 302.187 3.245 10 0 DGAERO COc1ccc(C2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)cc1 ZINC000364843976 287066600 /nfs/dbraw/zinc/06/66/00/287066600.db2.gz ODECNJGBWUBPCF-AWEZNQCLSA-N 1 0 317.351 3.188 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)c(F)c1 ZINC000178353380 164834681 /nfs/dbraw/zinc/83/46/81/164834681.db2.gz YCUUBNNDRGUJGR-PDSMFRHLSA-N 1 0 301.361 3.143 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCc3ccc(F)cc32)CC1 ZINC000178978747 164851021 /nfs/dbraw/zinc/85/10/21/164851021.db2.gz RVHHHTKLCWXVAQ-UHFFFAOYSA-N 1 0 319.424 3.018 10 0 DGAERO CC(C)[C@@H](CSc1ccccc1)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000180585489 164888322 /nfs/dbraw/zinc/88/83/22/164888322.db2.gz CZVFVOKQZPSSSQ-GOEBONIOSA-N 1 0 306.475 3.014 10 0 DGAERO CCc1noc(C)c1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000180654626 164891074 /nfs/dbraw/zinc/89/10/74/164891074.db2.gz FCIJTRTZRWQFED-UHFFFAOYSA-N 1 0 322.453 3.131 10 0 DGAERO COCc1ccsc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000180865270 164897291 /nfs/dbraw/zinc/89/72/91/164897291.db2.gz VZZYWNFKZPTTIV-GUYCJALGSA-N 1 0 324.490 3.135 10 0 DGAERO C[C@@H]([NH2+]CCCOCC(F)(F)F)[C@@H]1COc2ccccc21 ZINC000185562802 165008109 /nfs/dbraw/zinc/00/81/09/165008109.db2.gz LZZJEGCRJVCWFS-YPMHNXCESA-N 1 0 303.324 3.110 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000185798409 165016529 /nfs/dbraw/zinc/01/65/29/165016529.db2.gz FPQRFZJUINGCKK-HIEASXQVSA-N 1 0 306.494 3.438 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000185825070 165017389 /nfs/dbraw/zinc/01/73/89/165017389.db2.gz MWOQYAXKOBKCBX-MSOLQXFVSA-N 1 0 302.462 3.435 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000185878844 165020269 /nfs/dbraw/zinc/02/02/69/165020269.db2.gz RFKJRJYMKQBBQM-GDBMZVCRSA-N 1 0 312.413 3.298 10 0 DGAERO CCC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1cccnc1 ZINC000185996429 165024085 /nfs/dbraw/zinc/02/40/85/165024085.db2.gz OPSCSORJYBVHFH-HZPDHXFCSA-N 1 0 313.449 3.242 10 0 DGAERO CN(C)C(=O)c1cccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186201611 165032113 /nfs/dbraw/zinc/03/21/13/165032113.db2.gz DQRODWUXEVEJMC-UHFFFAOYSA-N 1 0 320.436 3.436 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2nc(C(C)C)cs2)C12CCOCC2 ZINC000186390513 165041236 /nfs/dbraw/zinc/04/12/36/165041236.db2.gz TUEDJQXXFHRXGY-CABCVRRESA-N 1 0 324.490 3.330 10 0 DGAERO CN1Cc2cc(NC3CC[NH+](C(C)(C)C)CC3)ccc2NC1=O ZINC000186552044 165050138 /nfs/dbraw/zinc/05/01/38/165050138.db2.gz CIHCNRDIGSBXPE-UHFFFAOYSA-N 1 0 316.449 3.339 10 0 DGAERO c1ccc(CC2([NH2+]C3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC000186584665 165050636 /nfs/dbraw/zinc/05/06/36/165050636.db2.gz WYGMRSBSIYLVOT-UHFFFAOYSA-N 1 0 321.468 3.411 10 0 DGAERO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)nc2C)C1 ZINC000186763017 165060118 /nfs/dbraw/zinc/06/01/18/165060118.db2.gz NKSAGQWKFFBBJS-YJBOKZPZSA-N 1 0 317.477 3.215 10 0 DGAERO CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000186879606 165063973 /nfs/dbraw/zinc/06/39/73/165063973.db2.gz CMSZYPKFNXXYPA-QZTJIDSGSA-N 1 0 304.503 3.382 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccoc3)no2)C1(CC)CC ZINC000187051838 165075054 /nfs/dbraw/zinc/07/50/54/165075054.db2.gz LUEJHCVMJMRDKM-KBPBESRZSA-N 1 0 319.405 3.403 10 0 DGAERO Cc1nc([C@H]2CCCN2C(=O)[C@H](C)[NH+]2CCCCCC2)cs1 ZINC000187137530 165079133 /nfs/dbraw/zinc/07/91/33/165079133.db2.gz KOLSAXXPAARFLY-XJKSGUPXSA-N 1 0 321.490 3.380 10 0 DGAERO CCCc1cccc(C[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000187219353 165080975 /nfs/dbraw/zinc/08/09/75/165080975.db2.gz QXYNMRINNIVKRJ-KRWDZBQOSA-N 1 0 312.461 3.459 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCc3ncnn3C1)CCS2 ZINC000187328406 165085251 /nfs/dbraw/zinc/08/52/51/165085251.db2.gz DQBMANCMTXJGET-DZGCQCFKSA-N 1 0 314.458 3.036 10 0 DGAERO CCOC(=O)[C@H](Cc1ccccc1)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000187362244 165086615 /nfs/dbraw/zinc/08/66/15/165086615.db2.gz IKADIKMZNHOMJX-IBGZPJMESA-N 1 0 324.424 3.218 10 0 DGAERO Fc1ccc(-c2ccc(CN3CCO[C@@]4(CCOC4)C3)o2)cc1 ZINC000187544225 165093651 /nfs/dbraw/zinc/09/36/51/165093651.db2.gz SQSSGQURFINUDW-SFHVURJKSA-N 1 0 317.360 3.077 10 0 DGAERO Cc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(C)n1 ZINC000187554760 165095191 /nfs/dbraw/zinc/09/51/91/165095191.db2.gz QYGGFBQGILRLHN-INIZCTEOSA-N 1 0 304.434 3.252 10 0 DGAERO CCC[C@@H]([NH2+][C@H]1CCc2nc(CC)nn2C1)c1ccsc1 ZINC000187777200 165103795 /nfs/dbraw/zinc/10/37/95/165103795.db2.gz VVNWZAOWOLUTNH-UONOGXRCSA-N 1 0 304.463 3.348 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000187992685 165109362 /nfs/dbraw/zinc/10/93/62/165109362.db2.gz ZBEPRTBYTVUQRC-UHFFFAOYSA-N 1 0 302.462 3.260 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(F)c1 ZINC000188073074 165111488 /nfs/dbraw/zinc/11/14/88/165111488.db2.gz JLDXUCYSYPFPAZ-WMZOPIPTSA-N 1 0 316.424 3.269 10 0 DGAERO CC1(C)[C@H]([NH2+]CC2(CCO)CC2)C[C@@H]1OCc1ccccc1 ZINC000188062234 165111507 /nfs/dbraw/zinc/11/15/07/165111507.db2.gz NEJAIAYLOMOFBV-SJORKVTESA-N 1 0 303.446 3.123 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1cccc(F)c1)CC2 ZINC000188183565 165114463 /nfs/dbraw/zinc/11/44/63/165114463.db2.gz OWUSZDNGFYROOO-HUUCEWRRSA-N 1 0 302.397 3.035 10 0 DGAERO C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(-c2ccncc2)cc1 ZINC000188247899 165117985 /nfs/dbraw/zinc/11/79/85/165117985.db2.gz NLOGNLQCAOACHC-CYBMUJFWSA-N 1 0 321.380 3.291 10 0 DGAERO O=C(c1cccc(Oc2ccccc2)c1)N1CC[NH+]2CCC1CC2 ZINC000188636619 165130112 /nfs/dbraw/zinc/13/01/12/165130112.db2.gz HRYBDFSFSPHGBT-UHFFFAOYSA-N 1 0 322.408 3.399 10 0 DGAERO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000188876722 165140852 /nfs/dbraw/zinc/14/08/52/165140852.db2.gz LQWAYLJXMUZXPT-QGZVFWFLSA-N 1 0 320.396 3.394 10 0 DGAERO Cc1nc(C[NH+]2CCC([C@H]3CCCO3)CC2)nc2ccccc12 ZINC000189221258 165154669 /nfs/dbraw/zinc/15/46/69/165154669.db2.gz FYSYRQFQNANGHQ-GOSISDBHSA-N 1 0 311.429 3.329 10 0 DGAERO CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)[C@@H]1CCCC[C@@H]1C ZINC000189255768 165156706 /nfs/dbraw/zinc/15/67/06/165156706.db2.gz CKNBEQUQLITFDP-SUMWQHHRSA-N 1 0 302.422 3.476 10 0 DGAERO Cc1ccc2cc(C[NH2+][C@H]3Cc4ccccc4[C@@H]3O)ccc2n1 ZINC000189344860 165158209 /nfs/dbraw/zinc/15/82/09/165158209.db2.gz IDGVZMBEQUWDFA-PMACEKPBSA-N 1 0 304.393 3.291 10 0 DGAERO C[C@H](NC(=O)CCc1c[nH]cn1)c1ccc(-c2cccnc2)cc1 ZINC000189471447 165161883 /nfs/dbraw/zinc/16/18/83/165161883.db2.gz OIRYWJGJVAWVML-AWEZNQCLSA-N 1 0 320.396 3.282 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccsc2)[C@@H]1c1ccccc1 ZINC000189721463 165174304 /nfs/dbraw/zinc/17/43/04/165174304.db2.gz INIAVSOLHHHGRU-CABCVRRESA-N 1 0 301.415 3.315 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)C2(Cc3ccccc3Cl)CC2)C1 ZINC000189716351 165174674 /nfs/dbraw/zinc/17/46/74/165174674.db2.gz HFCKHWNQMOMDPT-OAHLLOKOSA-N 1 0 320.864 3.263 10 0 DGAERO c1ncn(C2CC[NH+](CCCCCOc3ccccc3)CC2)n1 ZINC000189826555 165178922 /nfs/dbraw/zinc/17/89/22/165178922.db2.gz IYRWCBRMQSYYRV-UHFFFAOYSA-N 1 0 314.433 3.164 10 0 DGAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000189949010 165182599 /nfs/dbraw/zinc/18/25/99/165182599.db2.gz XHDQYSOSOJTNEA-MNOVXSKESA-N 1 0 304.360 3.244 10 0 DGAERO CCCn1c(C)nnc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190207172 165193541 /nfs/dbraw/zinc/19/35/41/165193541.db2.gz KYOUUPDBSNLHQF-LBPRGKRZSA-N 1 0 318.387 3.407 10 0 DGAERO O=C(/C=C/c1cc2ccccc2o1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190738961 165212403 /nfs/dbraw/zinc/21/24/03/165212403.db2.gz ANCABDPTLYLKPB-BOLDSZDNSA-N 1 0 310.397 3.189 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNCc1ccc(Br)o1 ZINC000190768356 165215759 /nfs/dbraw/zinc/21/57/59/165215759.db2.gz NYLYWARKQRLRCJ-NSHDSACASA-N 1 0 301.228 3.006 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cn1 ZINC000191482769 165252676 /nfs/dbraw/zinc/25/26/76/165252676.db2.gz RXUNJEWFPHYKLY-YOEHRIQHSA-N 1 0 311.429 3.192 10 0 DGAERO CC[C@H](C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)[NH+](C)C ZINC000191530301 165257022 /nfs/dbraw/zinc/25/70/22/165257022.db2.gz OUAMIYBNBFDXNV-MLGOLLRUSA-N 1 0 310.388 3.011 10 0 DGAERO Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(C4CC4)cc3)cc12 ZINC000191681655 165264451 /nfs/dbraw/zinc/26/44/51/165264451.db2.gz SOCFHGAZCVWGMY-UHFFFAOYSA-N 1 0 306.413 3.444 10 0 DGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC(F)(F)C(F)F)C1 ZINC000191770574 165268464 /nfs/dbraw/zinc/26/84/64/165268464.db2.gz FTTYWVIBVZFGMI-AAEUAGOBSA-N 1 0 304.331 3.312 10 0 DGAERO CN(C)c1noc(C2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000191907380 165275328 /nfs/dbraw/zinc/27/53/28/165275328.db2.gz KVOQCSNUJYBOIO-RMKNXTFCSA-N 1 0 312.417 3.028 10 0 DGAERO CCCC[N@H+](CCCO)Cc1ccc(-n2ccnc2)cc1C ZINC000192163068 165285340 /nfs/dbraw/zinc/28/53/40/165285340.db2.gz YPVZPFPAXSWJOI-UHFFFAOYSA-N 1 0 301.434 3.165 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000192475953 165292821 /nfs/dbraw/zinc/29/28/21/165292821.db2.gz BVBAQXJTWQXBNR-UHFFFAOYSA-N 1 0 305.422 3.032 10 0 DGAERO O=S(=O)(CCN1CCC[C@@H]1c1ccco1)c1ccc(F)cc1 ZINC000192593967 165298146 /nfs/dbraw/zinc/29/81/46/165298146.db2.gz XCMGIVDXBRPCFQ-OAHLLOKOSA-N 1 0 323.389 3.030 10 0 DGAERO COc1cccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1F ZINC000192704222 165302958 /nfs/dbraw/zinc/30/29/58/165302958.db2.gz FICIUWYPDQNMHO-SWLSCSKDSA-N 1 0 301.361 3.489 10 0 DGAERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCC2 ZINC000192709938 165303831 /nfs/dbraw/zinc/30/38/31/165303831.db2.gz BRGXMYDXQHTISA-OAHLLOKOSA-N 1 0 322.456 3.285 10 0 DGAERO O=C(N1CCC(C[NH+]2CCCC2)CC1)C1(c2ccccc2)CC1 ZINC000192774272 165305493 /nfs/dbraw/zinc/30/54/93/165305493.db2.gz CXDSLGYUXRNCPO-UHFFFAOYSA-N 1 0 312.457 3.053 10 0 DGAERO Cc1ccc(CCC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000192770606 165306062 /nfs/dbraw/zinc/30/60/62/165306062.db2.gz BSYDIYKWCYEQTF-UHFFFAOYSA-N 1 0 314.473 3.262 10 0 DGAERO O=C(Cc1ccc(Cl)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192775263 165306555 /nfs/dbraw/zinc/30/65/55/165306555.db2.gz XFEIIWTYRPCFAK-UHFFFAOYSA-N 1 0 320.864 3.217 10 0 DGAERO COc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1F ZINC000192948078 165312461 /nfs/dbraw/zinc/31/24/61/165312461.db2.gz JGYOWQRKQYCSFI-AWEZNQCLSA-N 1 0 315.392 3.163 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1sccc1Cl)CC2 ZINC000193092195 165316390 /nfs/dbraw/zinc/31/63/90/165316390.db2.gz HRTOUUQEODBERA-SNVBAGLBSA-N 1 0 310.854 3.221 10 0 DGAERO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194087289 165337715 /nfs/dbraw/zinc/33/77/15/165337715.db2.gz MADZGBWKCMFJHJ-BDLOOMQFSA-N 1 0 321.486 3.497 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)s1 ZINC000194338647 165342751 /nfs/dbraw/zinc/34/27/51/165342751.db2.gz FXUJNFWHDPCIHL-CYBMUJFWSA-N 1 0 316.474 3.420 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000195332623 165365740 /nfs/dbraw/zinc/36/57/40/165365740.db2.gz WJRCQQUEEVFPHO-UONOGXRCSA-N 1 0 321.490 3.078 10 0 DGAERO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195324649 165365830 /nfs/dbraw/zinc/36/58/30/165365830.db2.gz VRYKVLZIIAIOOU-CABCVRRESA-N 1 0 323.506 3.326 10 0 DGAERO Cc1csc([C@H]2CCCN(CC(=O)Nc3ccccc3)C2)n1 ZINC000195333138 165365880 /nfs/dbraw/zinc/36/58/80/165365880.db2.gz UHQQOOLRSSYEBM-AWEZNQCLSA-N 1 0 315.442 3.270 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@H](c2nccs2)C1)c1c(F)cccc1F ZINC000195339801 165367228 /nfs/dbraw/zinc/36/72/28/165367228.db2.gz GULYTFPPMWFGDG-SMDDNHRTSA-N 1 0 324.396 3.334 10 0 DGAERO FC(F)(F)COCCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195358839 165368009 /nfs/dbraw/zinc/36/80/09/165368009.db2.gz KADUHPVRIFUXMH-LLVKDONJSA-N 1 0 308.369 3.292 10 0 DGAERO CCCc1noc(CN2CCC[C@@H](c3nc(CC)cs3)C2)n1 ZINC000195377583 165369376 /nfs/dbraw/zinc/36/93/76/165369376.db2.gz YKUVSKCSZQKGSF-GFCCVEGCSA-N 1 0 320.462 3.421 10 0 DGAERO CC(C)(CC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000195409814 165371052 /nfs/dbraw/zinc/37/10/52/165371052.db2.gz CSCZNTQNKKCNAC-UHFFFAOYSA-N 1 0 300.446 3.051 10 0 DGAERO Fc1cc(Br)cc(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000220612219 165380450 /nfs/dbraw/zinc/38/04/50/165380450.db2.gz VITSFJZLUMTZJF-JTQLQIEISA-N 1 0 302.187 3.104 10 0 DGAERO C[C@H]([NH2+]Cc1c(F)ccc(Br)c1F)[C@@H]1CCCO1 ZINC000230306723 165393956 /nfs/dbraw/zinc/39/39/56/165393956.db2.gz IVSWFRWGKALXJL-UFBFGSQYSA-N 1 0 320.177 3.384 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1F ZINC000245436875 165456549 /nfs/dbraw/zinc/45/65/49/165456549.db2.gz VRMNZVXDUFMKQY-KGLIPLIRSA-N 1 0 305.397 3.225 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3cccnn3)C1)[C@H](C)C2 ZINC000245901644 165489989 /nfs/dbraw/zinc/48/99/89/165489989.db2.gz DSSSNGDPPRMFBV-OXFYSEKESA-N 1 0 322.456 3.277 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000247423408 165583448 /nfs/dbraw/zinc/58/34/48/165583448.db2.gz VFMCTKMAWQWVQR-DJIMGWMZSA-N 1 0 321.461 3.049 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)[C@H]1COc2ccccc21 ZINC000248569321 165633713 /nfs/dbraw/zinc/63/37/13/165633713.db2.gz FSQHHQKHJKEVKL-UXEPBGEESA-N 1 0 319.351 3.153 10 0 DGAERO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1C[C@H]1c1ccco1 ZINC000255324294 165708336 /nfs/dbraw/zinc/70/83/36/165708336.db2.gz MEDVRHAJIZGUTH-FGTMMUONSA-N 1 0 324.424 3.336 10 0 DGAERO FC(F)(F)c1cnc(CN2CCC([NH2+]CC3CC3)CC2)s1 ZINC000261751438 165743431 /nfs/dbraw/zinc/74/34/31/165743431.db2.gz CESUOAQHOFYCGJ-UHFFFAOYSA-N 1 0 319.396 3.126 10 0 DGAERO COc1cc2c(cc1NC(=O)[C@H](C)C1C[NH2+]C1)oc1ccccc12 ZINC000261764201 165745973 /nfs/dbraw/zinc/74/59/73/165745973.db2.gz WDXXAOQLJBFXMI-LLVKDONJSA-N 1 0 324.380 3.389 10 0 DGAERO O=C(NCc1ccc(-c2ccccc2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261886824 165759787 /nfs/dbraw/zinc/75/97/87/165759787.db2.gz BGSZMAFLQJEALX-IBGZPJMESA-N 1 0 320.436 3.360 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])c2ccc(C)cc2)cc1F ZINC000261913274 165764794 /nfs/dbraw/zinc/76/47/94/165764794.db2.gz QLWSHFPMGNUKRV-SJKOYZFVSA-N 1 0 316.376 3.020 10 0 DGAERO CCCCCOc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261965390 165772075 /nfs/dbraw/zinc/77/20/75/165772075.db2.gz LGOYQBYURYWVQK-KRWDZBQOSA-N 1 0 318.461 3.455 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000262021599 165777595 /nfs/dbraw/zinc/77/75/95/165777595.db2.gz XSGFQOBWUNSSPQ-OIISXLGYSA-N 1 0 300.446 3.001 10 0 DGAERO CC1(C)CN(C(=O)c2cc(C(F)(F)F)ccc2F)CC[C@H]1[NH3+] ZINC000262498939 165806697 /nfs/dbraw/zinc/80/66/97/165806697.db2.gz LSRDALHXESRIIV-GFCCVEGCSA-N 1 0 318.314 3.044 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262592480 165811713 /nfs/dbraw/zinc/81/17/13/165811713.db2.gz VDBUTGPTHAHOHP-UHFFFAOYSA-N 1 0 309.479 3.166 10 0 DGAERO CC1CCC(OC2CCN(C(=O)CCCCCC[NH3+])CC2)CC1 ZINC000262626202 165813737 /nfs/dbraw/zinc/81/37/37/165813737.db2.gz IWTXVLCMIGZSKG-UHFFFAOYSA-N 1 0 324.509 3.482 10 0 DGAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000262928539 165824388 /nfs/dbraw/zinc/82/43/88/165824388.db2.gz HPHKIXXRLGBRIA-MAUKXSAKSA-N 1 0 317.433 3.127 10 0 DGAERO C[C@]1(c2ccccc2)CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263228915 165845612 /nfs/dbraw/zinc/84/56/12/165845612.db2.gz NCTDMHZIXPPKKL-NZSAHSFTSA-N 1 0 300.446 3.084 10 0 DGAERO Cc1nc([C@@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)no1 ZINC000366014165 287199645 /nfs/dbraw/zinc/19/96/45/287199645.db2.gz XWEBNYZJWQEUGM-GDBMZVCRSA-N 1 0 306.454 3.027 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C12CCC2 ZINC000366040401 287203590 /nfs/dbraw/zinc/20/35/90/287203590.db2.gz OWHWMRIKNJCKRX-HZPDHXFCSA-N 1 0 301.390 3.107 10 0 DGAERO Cc1ccc2nc(C[NH2+][C@@H]3CCCC[C@H]3n3cccn3)cn2c1 ZINC000128918158 196003824 /nfs/dbraw/zinc/00/38/24/196003824.db2.gz MVQUDXWZUDGYQI-IAGOWNOFSA-N 1 0 309.417 3.113 10 0 DGAERO CCOC(=O)CCCC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000129066627 196016863 /nfs/dbraw/zinc/01/68/63/196016863.db2.gz LIFFIYGZTQLPFG-UHFFFAOYSA-N 1 0 322.424 3.435 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000129031665 196013420 /nfs/dbraw/zinc/01/34/20/196013420.db2.gz CFKAFTLDTGRSLT-NEPJUHHUSA-N 1 0 313.392 3.055 10 0 DGAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)C1 ZINC000129258083 196033045 /nfs/dbraw/zinc/03/30/45/196033045.db2.gz LRGVUDZGHVBERY-KBPBESRZSA-N 1 0 324.350 3.478 10 0 DGAERO Cc1cc(CC[NH2+]Cc2c[nH]nc2C(C)(C)C)cc(C)c1O ZINC000190397912 432151876 /nfs/dbraw/zinc/15/18/76/432151876.db2.gz XTLMZKDZSPNGLG-UHFFFAOYSA-N 1 0 301.434 3.362 10 0 DGAERO FC(F)(F)COCCC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171620347 432153070 /nfs/dbraw/zinc/15/30/70/432153070.db2.gz YCINRNUKYGZEQJ-UHFFFAOYSA-N 1 0 312.335 3.495 10 0 DGAERO CC(C)[NH2+]C1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000171689257 432160359 /nfs/dbraw/zinc/16/03/59/432160359.db2.gz QQIAYWGDFYGABM-UHFFFAOYSA-N 1 0 317.408 3.443 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246750232 432160440 /nfs/dbraw/zinc/16/04/40/432160440.db2.gz BJQZMYKYEGUSEE-LSDHHAIUSA-N 1 0 319.449 3.340 10 0 DGAERO CCC1(CC)CCC[N@H+](Cc2csc(CC(=O)NC)n2)CC1 ZINC000190413935 432154095 /nfs/dbraw/zinc/15/40/95/432154095.db2.gz QLSRHGSDWWYTHT-UHFFFAOYSA-N 1 0 323.506 3.224 10 0 DGAERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C)CC2 ZINC000182050997 432156446 /nfs/dbraw/zinc/15/64/46/432156446.db2.gz NOCUFWQHHBQUSK-CXAGYDPISA-N 1 0 320.387 3.166 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC2=CCCCC2)[C@@H](C)C1 ZINC000246718954 432157053 /nfs/dbraw/zinc/15/70/53/432157053.db2.gz UYDFMAMZZRTTML-DOTOQJQBSA-N 1 0 307.482 3.249 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@H]1CCCc1ccccc1)CS(C)(=O)=O ZINC000246720108 432157769 /nfs/dbraw/zinc/15/77/69/432157769.db2.gz FSJXKIMBMRAECA-SJLPKXTDSA-N 1 0 323.502 3.154 10 0 DGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2nc3ccccc3o2)C1 ZINC000190448201 432157913 /nfs/dbraw/zinc/15/79/13/432157913.db2.gz MIBPNJFCCFDXSN-INIZCTEOSA-N 1 0 322.412 3.181 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000136689775 432159010 /nfs/dbraw/zinc/15/90/10/432159010.db2.gz JLDVVNUQNFCYPQ-HNNXBMFYSA-N 1 0 305.418 3.285 10 0 DGAERO [NH3+][C@H](C(=O)Nc1ccc(F)c(Br)c1)c1ccccc1 ZINC000129522830 196055391 /nfs/dbraw/zinc/05/53/91/196055391.db2.gz VDGYCIVJVXVPLY-ZDUSSCGKSA-N 1 0 323.165 3.227 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137132118 432171423 /nfs/dbraw/zinc/17/14/23/432171423.db2.gz MRFPZKXPXPCBSJ-MFKMUULPSA-N 1 0 318.642 3.353 10 0 DGAERO CCC[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190569654 432172037 /nfs/dbraw/zinc/17/20/37/432172037.db2.gz DNRDXTBBJHZWHD-DZGCQCFKSA-N 1 0 323.506 3.168 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246771272 432163180 /nfs/dbraw/zinc/16/31/80/432163180.db2.gz QLGAEOFISWBQKW-WMZOPIPTSA-N 1 0 316.445 3.249 10 0 DGAERO Cc1ccsc1C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190483647 432163283 /nfs/dbraw/zinc/16/32/83/432163283.db2.gz UKTFBIGARGGAOR-QGZVFWFLSA-N 1 0 315.486 3.405 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246781641 432164417 /nfs/dbraw/zinc/16/44/17/432164417.db2.gz CKKMOQAYHRROHX-AEFFLSMTSA-N 1 0 317.477 3.255 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1Cl ZINC000246818037 432168914 /nfs/dbraw/zinc/16/89/14/432168914.db2.gz CIUDLVZUTKCCIR-JQWIXIFHSA-N 1 0 313.228 3.302 10 0 DGAERO C[C@@H]1OCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000190556525 432170288 /nfs/dbraw/zinc/17/02/88/432170288.db2.gz FQRCIISCHSJOEF-IRXDYDNUSA-N 1 0 322.493 3.107 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(Cl)cc1Cl ZINC000182301508 432176819 /nfs/dbraw/zinc/17/68/19/432176819.db2.gz MPRJZNQLUZPPTC-ZYHUDNBSSA-N 1 0 300.233 3.057 10 0 DGAERO CCCc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1 ZINC000246888136 432177929 /nfs/dbraw/zinc/17/79/29/432177929.db2.gz RFWFMUJXUGFRID-IPMKNSEASA-N 1 0 303.446 3.407 10 0 DGAERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1cccc(Br)c1 ZINC000190656260 432180157 /nfs/dbraw/zinc/18/01/57/432180157.db2.gz TUTUZAKKHOEVTI-LLVKDONJSA-N 1 0 314.223 3.253 10 0 DGAERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(OC(F)F)cc1 ZINC000190671257 432180709 /nfs/dbraw/zinc/18/07/09/432180709.db2.gz VATLFWGMEJABAZ-NSHDSACASA-N 1 0 301.333 3.092 10 0 DGAERO CCn1c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)nc2cc(F)ccc21 ZINC000246923171 432181452 /nfs/dbraw/zinc/18/14/52/432181452.db2.gz WHLYBOMRZVZAPR-SUMWQHHRSA-N 1 0 317.408 3.196 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1Cl ZINC000246919894 432181936 /nfs/dbraw/zinc/18/19/36/432181936.db2.gz GMSRJFFODAKBIN-WMLDXEAASA-N 1 0 319.836 3.043 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC000246942807 432183448 /nfs/dbraw/zinc/18/34/48/432183448.db2.gz BZWIVIHCTLRZEA-BBRMVZONSA-N 1 0 308.853 3.451 10 0 DGAERO CSc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000171942049 432185619 /nfs/dbraw/zinc/18/56/19/432185619.db2.gz DMHXHNSKPNLNKV-KRWDZBQOSA-N 1 0 320.502 3.095 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000150737796 432188216 /nfs/dbraw/zinc/18/82/16/432188216.db2.gz HAAVCKUYTVYWPO-DOTOQJQBSA-N 1 0 316.445 3.281 10 0 DGAERO O=C(C1CC=CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246986289 432189084 /nfs/dbraw/zinc/18/90/84/432189084.db2.gz KJPFQYJVCWZUFF-VQTJNVASSA-N 1 0 324.468 3.466 10 0 DGAERO Cc1cc2[nH]c(C(=O)N3CCC[N@@H+](C4CC4)CC3)cc2c(C)c1 ZINC000149071678 432189128 /nfs/dbraw/zinc/18/91/28/432189128.db2.gz HZFCFGUVCATUOJ-UHFFFAOYSA-N 1 0 311.429 3.095 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCCN1Cc1nc2ccccc2s1 ZINC000171995084 432189306 /nfs/dbraw/zinc/18/93/06/432189306.db2.gz CUIZZXKCPVECPD-CQSZACIVSA-N 1 0 317.458 3.129 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(F)c2Cl)[C@@H](C)C1 ZINC000247010310 432190642 /nfs/dbraw/zinc/19/06/42/432190642.db2.gz WEKHLOPEALKZPR-FZMZJTMJSA-N 1 0 312.816 3.281 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000129758575 196074034 /nfs/dbraw/zinc/07/40/34/196074034.db2.gz FEUPGKSCSUSYKD-KKUMJFAQSA-N 1 0 301.352 3.301 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000172056943 432192676 /nfs/dbraw/zinc/19/26/76/432192676.db2.gz PGRZYTSSBCOHHA-NWDGAFQWSA-N 1 0 324.877 3.371 10 0 DGAERO Cc1cccn2c(=O)cc(C[NH+]3CCC(C(C)(C)C)CC3)nc12 ZINC000172032358 432193322 /nfs/dbraw/zinc/19/33/22/432193322.db2.gz HLRMCKWBWOGAJC-UHFFFAOYSA-N 1 0 313.445 3.261 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000247027896 432193861 /nfs/dbraw/zinc/19/38/61/432193861.db2.gz SZGHTPGDXCKPBX-IIMJZQEZSA-N 1 0 312.457 3.022 10 0 DGAERO Cc1ccc2cccc(NC(=O)N3CCC([NH+](C)C)CC3)c2n1 ZINC000172061960 432195014 /nfs/dbraw/zinc/19/50/14/432195014.db2.gz FPMZJPIDURPKMH-UHFFFAOYSA-N 1 0 312.417 3.101 10 0 DGAERO Cc1ccc(CCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000150823350 432195234 /nfs/dbraw/zinc/19/52/34/432195234.db2.gz AWXZTDQLAWSIFF-IBGZPJMESA-N 1 0 314.473 3.405 10 0 DGAERO C[C@H]([NH2+]CCCOc1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000150864640 432195824 /nfs/dbraw/zinc/19/58/24/432195824.db2.gz JFXOQEZXCXJFBM-INIZCTEOSA-N 1 0 322.412 3.387 10 0 DGAERO C[C@@H](CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc(F)c1 ZINC000247054801 432197285 /nfs/dbraw/zinc/19/72/85/432197285.db2.gz BBPUQXYSOORNJH-YOEHRIQHSA-N 1 0 304.409 3.016 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cc1OC ZINC000247057337 432198212 /nfs/dbraw/zinc/19/82/12/432198212.db2.gz NPSDEAXQIMEQCT-VYDXJSESSA-N 1 0 320.477 3.392 10 0 DGAERO CC(C)(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000150905800 432201402 /nfs/dbraw/zinc/20/14/02/432201402.db2.gz KCENHBJGLOESTA-ALOPSCKCSA-N 1 0 315.461 3.280 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000247088416 432201574 /nfs/dbraw/zinc/20/15/74/432201574.db2.gz PGKIJZMNCQRUSB-QAPCUYQASA-N 1 0 312.461 3.316 10 0 DGAERO C[C@@H](c1cccc(F)c1)N1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000190930675 432201753 /nfs/dbraw/zinc/20/17/53/432201753.db2.gz KJBBAZPQGKNARC-VKJFTORMSA-N 1 0 306.425 3.072 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc([S@@](C)=O)cc1 ZINC000247092861 432202428 /nfs/dbraw/zinc/20/24/28/432202428.db2.gz OCSOHZDTHALDKS-GVMUQYNVSA-N 1 0 320.502 3.090 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000130550995 196089913 /nfs/dbraw/zinc/08/99/13/196089913.db2.gz TUHBDESQJDZIJS-IAGOWNOFSA-N 1 0 313.397 3.232 10 0 DGAERO COc1ccc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)cc1O ZINC000130641563 196097793 /nfs/dbraw/zinc/09/77/93/196097793.db2.gz WDKVUTGKSKWPHK-IFXJQAMLSA-N 1 0 313.397 3.363 10 0 DGAERO CCCCOc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247120038 432203538 /nfs/dbraw/zinc/20/35/38/432203538.db2.gz IZWOCGMSHWZAIR-NVXWUHKLSA-N 1 0 316.445 3.174 10 0 DGAERO CCCn1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000131089892 196138471 /nfs/dbraw/zinc/13/84/71/196138471.db2.gz JABQCDYLWMNLRI-SFHVURJKSA-N 1 0 318.509 3.381 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)no1 ZINC000172288926 432207460 /nfs/dbraw/zinc/20/74/60/432207460.db2.gz CTUIRMGHDKUCOJ-HNNXBMFYSA-N 1 0 311.429 3.321 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000247175646 432208644 /nfs/dbraw/zinc/20/86/44/432208644.db2.gz UKTRTIXXWQUIOR-LSBZLQRGSA-N 1 0 324.424 3.100 10 0 DGAERO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247179483 432208868 /nfs/dbraw/zinc/20/88/68/432208868.db2.gz URQCNGZXEGSKSL-DYVFJYSZSA-N 1 0 320.387 3.420 10 0 DGAERO CSc1ccc(C)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247170765 432209032 /nfs/dbraw/zinc/20/90/32/432209032.db2.gz ASVBAQVEKUJWNI-KBPBESRZSA-N 1 0 306.475 3.272 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCCn2ccnc2)c1 ZINC000182623254 432211353 /nfs/dbraw/zinc/21/13/53/432211353.db2.gz BYNMZZCNNUWWBA-KRWDZBQOSA-N 1 0 315.417 3.128 10 0 DGAERO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCS[C@@H](C)C1 ZINC000131344085 196161384 /nfs/dbraw/zinc/16/13/84/196161384.db2.gz WZXHWCAXFCNKBX-ZDUSSCGKSA-N 1 0 301.459 3.426 10 0 DGAERO Cc1ccc(CCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000247227205 432212837 /nfs/dbraw/zinc/21/28/37/432212837.db2.gz MNNZBEUEKJTYSW-SJLPKXTDSA-N 1 0 300.446 3.013 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1C ZINC000247244958 432214736 /nfs/dbraw/zinc/21/47/36/432214736.db2.gz DLOJVIYEBPZMGI-LRDDRELGSA-N 1 0 313.445 3.339 10 0 DGAERO CCC(CC)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247122969 432203772 /nfs/dbraw/zinc/20/37/72/432203772.db2.gz YXZORIXLOWWGMD-CVEARBPZSA-N 1 0 309.498 3.471 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(F)cc1Cl ZINC000247114827 432204213 /nfs/dbraw/zinc/20/42/13/432204213.db2.gz ZMVGXHQCMAAEFC-GJZGRUSLSA-N 1 0 324.827 3.107 10 0 DGAERO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(Cl)c1 ZINC000247347802 432224774 /nfs/dbraw/zinc/22/47/74/432224774.db2.gz OSCKWPVGDGESSK-CHWSQXEVSA-N 1 0 307.825 3.349 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ncc(-c2ccccc2F)o1 ZINC000191136991 432225298 /nfs/dbraw/zinc/22/52/98/432225298.db2.gz HGMYYXUXYMOBAF-RYUDHWBXSA-N 1 0 304.365 3.214 10 0 DGAERO Cc1c([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)cnn1C(C)C ZINC000191163640 432228223 /nfs/dbraw/zinc/22/82/23/432228223.db2.gz UMQOJAUHPQBMKG-AWEZNQCLSA-N 1 0 324.432 3.204 10 0 DGAERO COC(=O)[C@H](C)Oc1ccc(C[NH2+]CCC2=CCCC2)cc1 ZINC000182664138 432216165 /nfs/dbraw/zinc/21/61/65/432216165.db2.gz YZCIZZIPVUYCCD-AWEZNQCLSA-N 1 0 303.402 3.217 10 0 DGAERO CCCOc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247262757 432217143 /nfs/dbraw/zinc/21/71/43/432217143.db2.gz XSCFHHIXBJPWLL-GDBMZVCRSA-N 1 0 317.433 3.176 10 0 DGAERO CSCc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000247277602 432218504 /nfs/dbraw/zinc/21/85/04/432218504.db2.gz YKGUTGKULURLSV-BBRMVZONSA-N 1 0 319.474 3.250 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000247290991 432220193 /nfs/dbraw/zinc/22/01/93/432220193.db2.gz KVFVJJRZUFLMLY-INMHGKMJSA-N 1 0 303.450 3.118 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cncc(-c3ccccc3)c2)C1 ZINC000151104977 432220338 /nfs/dbraw/zinc/22/03/38/432220338.db2.gz YCHKVAFGNHCVRH-BEFAXECRSA-N 1 0 323.440 3.207 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000247290981 432220741 /nfs/dbraw/zinc/22/07/41/432220741.db2.gz KVFVJJRZUFLMLY-HLLBOEOZSA-N 1 0 303.450 3.118 10 0 DGAERO CCOc1cc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1C ZINC000247307371 432221197 /nfs/dbraw/zinc/22/11/97/432221197.db2.gz HGAMSVLUEZNJCQ-DOTOQJQBSA-N 1 0 318.461 3.196 10 0 DGAERO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](C)CCc2ccccc2)C1 ZINC000247309737 432221557 /nfs/dbraw/zinc/22/15/57/432221557.db2.gz LVNLDPQMJNVYIV-JFIYKMOQSA-N 1 0 317.477 3.036 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000247324710 432221645 /nfs/dbraw/zinc/22/16/45/432221645.db2.gz IIUQYVBRVHIELL-XHDPSFHLSA-N 1 0 312.816 3.281 10 0 DGAERO COCCN(Cc1cccnc1)Cc1ccc2ccccc2n1 ZINC000191110539 432222275 /nfs/dbraw/zinc/22/22/75/432222275.db2.gz QNRXTDXWSDTFJJ-UHFFFAOYSA-N 1 0 307.397 3.278 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247330483 432223607 /nfs/dbraw/zinc/22/36/07/432223607.db2.gz MLFRRMUGKZQTDY-ZBFHGGJFSA-N 1 0 317.433 3.174 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)cn1 ZINC000131842324 196204164 /nfs/dbraw/zinc/20/41/64/196204164.db2.gz OGNDZLPLIXEKOH-INIZCTEOSA-N 1 0 321.371 3.401 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)cn1 ZINC000131852230 196204262 /nfs/dbraw/zinc/20/42/62/196204262.db2.gz CNUNCBDYHLIEPJ-QGZVFWFLSA-N 1 0 307.401 3.147 10 0 DGAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)O1 ZINC000132030975 196220382 /nfs/dbraw/zinc/22/03/82/196220382.db2.gz GTTAACQTTVJVOM-QAPCUYQASA-N 1 0 316.445 3.425 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)CCCO2 ZINC000132095744 196226213 /nfs/dbraw/zinc/22/62/13/196226213.db2.gz SSIONNJWYVAAQW-MJGOQNOKSA-N 1 0 311.425 3.402 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000132316793 196244983 /nfs/dbraw/zinc/24/49/83/196244983.db2.gz XDBOWMRQDKTOAS-WMZOPIPTSA-N 1 0 324.472 3.283 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)C(c1ccccc1)c1ccccc1 ZINC000133011557 196304217 /nfs/dbraw/zinc/30/42/17/196304217.db2.gz MOXKJQCFWITRQP-VQIMIIECSA-N 1 0 322.452 3.417 10 0 DGAERO C[C@@H](C[NH2+]CCCNC(=O)c1cccs1)Cc1ccccc1 ZINC000134110547 196362871 /nfs/dbraw/zinc/36/28/71/196362871.db2.gz MDJKABMUNSSFIH-OAHLLOKOSA-N 1 0 316.470 3.336 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000134177245 196368161 /nfs/dbraw/zinc/36/81/61/196368161.db2.gz MJANBAHJCPQOIO-KSSFIOAISA-N 1 0 300.446 3.157 10 0 DGAERO Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000262249547 292581949 /nfs/dbraw/zinc/58/19/49/292581949.db2.gz SKNIXMBXXJTAAR-MAUKXSAKSA-N 1 0 300.446 3.294 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccoc1C(F)(F)F ZINC000291292659 222291216 /nfs/dbraw/zinc/29/12/16/222291216.db2.gz MMQPRPOXMNOLHG-NSHDSACASA-N 1 0 318.339 3.293 10 0 DGAERO O=C(CCCc1ccc(F)c(F)c1)NCCC[NH+]1CCCCC1 ZINC000176191872 228310095 /nfs/dbraw/zinc/31/00/95/228310095.db2.gz UXXNMFQCELRJKD-UHFFFAOYSA-N 1 0 324.415 3.280 10 0 DGAERO Cc1cccc(C)c1OCCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177271204 228328967 /nfs/dbraw/zinc/32/89/67/228328967.db2.gz OMQYTWGCQDZYAY-OAHLLOKOSA-N 1 0 317.351 3.071 10 0 DGAERO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(C)c(F)c2)no1 ZINC000181340791 228361799 /nfs/dbraw/zinc/36/17/99/228361799.db2.gz FLEFTOAKCIXURI-GFCCVEGCSA-N 1 0 305.353 3.110 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](C)N1CCOCC1)CCS2 ZINC000186966504 228419030 /nfs/dbraw/zinc/41/90/30/228419030.db2.gz QEGLOVINHHYLLO-DOTOQJQBSA-N 1 0 320.502 3.151 10 0 DGAERO Cc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1Cl ZINC000130402805 292634042 /nfs/dbraw/zinc/63/40/42/292634042.db2.gz VOCWQDGTWZBUOE-UHFFFAOYSA-N 1 0 308.853 3.499 10 0 DGAERO COc1ccc2ccccc2c1C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000129497489 545942724 /nfs/dbraw/zinc/94/27/24/545942724.db2.gz MZYGUYFRYDPKHJ-ZSEKCTLFSA-N 1 0 305.443 3.095 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C(C)(C)c2cccc(F)c2)CC1 ZINC000130558404 292636780 /nfs/dbraw/zinc/63/67/80/292636780.db2.gz ZJKZVTMKZNIDGX-UHFFFAOYSA-N 1 0 320.452 3.340 10 0 DGAERO [NH3+]C[C@@H]1Cc2c(c(-c3ccc(C(=O)C4CC4)cc3)ccc2F)O1 ZINC000299762018 229409467 /nfs/dbraw/zinc/40/94/67/229409467.db2.gz ULUZSDUGIBSDDJ-AWEZNQCLSA-N 1 0 311.356 3.348 10 0 DGAERO Cc1cc(N2CC[C@@H](C)[C@@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301961184 230004759 /nfs/dbraw/zinc/00/47/59/230004759.db2.gz RFCGITAQJBJAEP-HWPZZCPQSA-N 1 0 322.355 3.352 10 0 DGAERO Cc1nsc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000302488981 230268192 /nfs/dbraw/zinc/26/81/92/230268192.db2.gz ZDCWNKRQCQDNAQ-INIZCTEOSA-N 1 0 302.447 3.313 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000184422364 263610753 /nfs/dbraw/zinc/61/07/53/263610753.db2.gz UMHOJICYLDAJLV-GJZGRUSLSA-N 1 0 307.401 3.383 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000194933943 263824345 /nfs/dbraw/zinc/82/43/45/263824345.db2.gz KQHQNHXBNSHRLN-ZDUSSCGKSA-N 1 0 315.244 3.136 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)c2)cn1 ZINC000346278814 264002205 /nfs/dbraw/zinc/00/22/05/264002205.db2.gz KXZHUKQPLXZOME-QGZVFWFLSA-N 1 0 317.458 3.325 10 0 DGAERO c1ccc(CC[N@@H+](CC[C@H]2CCCCO2)[C@@H]2CCOC2)cc1 ZINC000347458274 264224530 /nfs/dbraw/zinc/22/45/30/264224530.db2.gz FKZAORZXMRURGM-RTBURBONSA-N 1 0 303.446 3.279 10 0 DGAERO c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@H]1CCCCO1 ZINC000347499959 264231006 /nfs/dbraw/zinc/23/10/06/264231006.db2.gz VTIKMJOYLMSMKR-DLBZAZTESA-N 1 0 313.445 3.460 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000347681061 264266563 /nfs/dbraw/zinc/26/65/63/264266563.db2.gz OVYHSKZBGTZCSX-GOSISDBHSA-N 1 0 311.429 3.468 10 0 DGAERO c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCc1cnc(C2CC2)nc1 ZINC000348133773 264349159 /nfs/dbraw/zinc/34/91/59/264349159.db2.gz BUQJTGCVAADQHS-SFHVURJKSA-N 1 0 308.429 3.433 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CCC2(F)CCC2)c2ccccc2C1 ZINC000348316550 264389033 /nfs/dbraw/zinc/38/90/33/264389033.db2.gz CZQVEVOWXFJOKI-QGZVFWFLSA-N 1 0 304.409 3.352 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@H+](C[C@H]1CCO[C@@H](C)C1)CC2 ZINC000352628329 265109340 /nfs/dbraw/zinc/10/93/40/265109340.db2.gz LWDVCRSTUVRPDZ-HOCLYGCPSA-N 1 0 301.430 3.105 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000352880835 265213214 /nfs/dbraw/zinc/21/32/14/265213214.db2.gz ILBPXMOMDXOXCB-CYBMUJFWSA-N 1 0 304.203 3.085 10 0 DGAERO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(Br)c(F)c1 ZINC000353088230 265293701 /nfs/dbraw/zinc/29/37/01/265293701.db2.gz CRPHYQIBFDLQKT-LLVKDONJSA-N 1 0 317.246 3.407 10 0 DGAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247467870 432232015 /nfs/dbraw/zinc/23/20/15/432232015.db2.gz RQNXURHNARVOEW-KCQAQPDRSA-N 1 0 324.852 3.048 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000247452399 432231887 /nfs/dbraw/zinc/23/18/87/432231887.db2.gz SVJXWNWLFQYKJN-NXHRZFHOSA-N 1 0 306.494 3.297 10 0 DGAERO c1c(C2CCC2)nn2ccnc(NC3CC[NH+](C4CC4)CC3)c12 ZINC000631049082 424828377 /nfs/dbraw/zinc/82/83/77/424828377.db2.gz TXTDBBDTODZING-UHFFFAOYSA-N 1 0 311.433 3.036 10 0 DGAERO COc1cc(C[NH2+]CCC2(C)CC2)cc(Br)c1O ZINC000355142380 265978099 /nfs/dbraw/zinc/97/80/99/265978099.db2.gz XYRKEOLADMHPJD-UHFFFAOYSA-N 1 0 314.223 3.443 10 0 DGAERO c1ccc2c(c1)nc(CN[C@H]1CC[N@@H+]3CCC[C@H]3C1)n2C1CC1 ZINC000355503443 266096320 /nfs/dbraw/zinc/09/63/20/266096320.db2.gz AYPYUKQOBFYXNY-HOCLYGCPSA-N 1 0 310.445 3.088 10 0 DGAERO c1coc(-c2cc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)no2)c1 ZINC000355777868 266181306 /nfs/dbraw/zinc/18/13/06/266181306.db2.gz DGBOFVCZQNLDBJ-KRWDZBQOSA-N 1 0 302.374 3.327 10 0 DGAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000356259150 266334872 /nfs/dbraw/zinc/33/48/72/266334872.db2.gz ABXUUHTZWRAMLQ-NEWSRXKRSA-N 1 0 301.430 3.382 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000356436293 266391144 /nfs/dbraw/zinc/39/11/44/266391144.db2.gz XZRJBHZWHDEFEV-PINLSGDHSA-N 1 0 309.356 3.148 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCO[C@@H](c2cccs2)C1)c1ccccc1 ZINC000247477894 432233754 /nfs/dbraw/zinc/23/37/54/432233754.db2.gz QTFYMDVDQJTMNB-NVXWUHKLSA-N 1 0 303.427 3.029 10 0 DGAERO CCCc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000247498699 432236273 /nfs/dbraw/zinc/23/62/73/432236273.db2.gz UUQQJMUFIJZQHK-QAPCUYQASA-N 1 0 302.462 3.441 10 0 DGAERO CC[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000247493266 432236591 /nfs/dbraw/zinc/23/65/91/432236591.db2.gz UKMGIOKHXNDHCR-NUJGCVRESA-N 1 0 300.446 3.265 10 0 DGAERO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)n(C(C)(C)C)n1 ZINC000247497686 432236199 /nfs/dbraw/zinc/23/61/99/432236199.db2.gz LLGPULHFZHIKJX-GXTWGEPZSA-N 1 0 306.454 3.005 10 0 DGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(CO)cc2)C12CCCC2 ZINC000182879996 432238669 /nfs/dbraw/zinc/23/86/69/432238669.db2.gz COPMKQRWROJYLG-QZTJIDSGSA-N 1 0 303.446 3.349 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)[C@@H](C)c2ccccc2F)C1 ZINC000247528173 432239817 /nfs/dbraw/zinc/23/98/17/432239817.db2.gz ZORNYDJYRSALTC-JKIFEVAISA-N 1 0 321.440 3.257 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247538559 432240412 /nfs/dbraw/zinc/24/04/12/432240412.db2.gz XWDQMTZOJDPWNA-BBRMVZONSA-N 1 0 308.853 3.071 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191259609 432241228 /nfs/dbraw/zinc/24/12/28/432241228.db2.gz VQDJXZHVRBXPEC-YPMHNXCESA-N 1 0 302.871 3.163 10 0 DGAERO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000247565070 432241816 /nfs/dbraw/zinc/24/18/16/432241816.db2.gz RDWNGLYZWVLWRA-KBRIMQKVSA-N 1 0 309.425 3.385 10 0 DGAERO C[C@H](NC(=O)N1CCCC1(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938834 432243269 /nfs/dbraw/zinc/24/32/69/432243269.db2.gz LLUPYHNTYYJQMQ-LSDHHAIUSA-N 1 0 307.482 3.223 10 0 DGAERO C[C@H](NC(=O)N1CCCC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182936042 432243386 /nfs/dbraw/zinc/24/33/86/432243386.db2.gz FXBNKGDWQKKZQB-JKSUJKDBSA-N 1 0 321.509 3.471 10 0 DGAERO Cc1ccc(CN(C(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)C2CC2)o1 ZINC000247694567 432247160 /nfs/dbraw/zinc/24/71/60/432247160.db2.gz WMAJHFULIJGWSM-ZIAGYGMSSA-N 1 0 304.434 3.199 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191310775 432248194 /nfs/dbraw/zinc/24/81/94/432248194.db2.gz XZWWSAWOVHVBRG-OLZOCXBDSA-N 1 0 317.481 3.405 10 0 DGAERO C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000151474815 432249340 /nfs/dbraw/zinc/24/93/40/432249340.db2.gz QFHXGQBOTVJIPB-UKRRQHHQSA-N 1 0 302.443 3.271 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)CCC2 ZINC000367625866 271054135 /nfs/dbraw/zinc/05/41/35/271054135.db2.gz ZJAYCLVLAOIWMY-IEBWSBKVSA-N 1 0 310.445 3.214 10 0 DGAERO c1cn2c(cccc2C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)n1 ZINC000368080908 271131703 /nfs/dbraw/zinc/13/17/03/271131703.db2.gz AUVOLWINUYJPHP-MSOLQXFVSA-N 1 0 307.397 3.344 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+]Cc1cccc(OC3CCCC3)c1)CC2 ZINC000368082283 271132249 /nfs/dbraw/zinc/13/22/49/271132249.db2.gz UVUSVJCVVHFPDK-OAHLLOKOSA-N 1 0 311.429 3.378 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000368098593 271134713 /nfs/dbraw/zinc/13/47/13/271134713.db2.gz BWCPKDUXLSJDDA-YVEFUNNKSA-N 1 0 306.413 3.416 10 0 DGAERO Clc1ccc(Cl)c(CN2CCC([NH+]3CCCC3)CC2)n1 ZINC000368624460 271182759 /nfs/dbraw/zinc/18/27/59/271182759.db2.gz VKNFXWZKTRHJCM-UHFFFAOYSA-N 1 0 314.260 3.449 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)cc2)cn1 ZINC000368860653 271217247 /nfs/dbraw/zinc/21/72/47/271217247.db2.gz XXDZHGUKQJSRSV-KRWDZBQOSA-N 1 0 319.412 3.042 10 0 DGAERO CCOc1ccc(C2=CC[N@H+](Cc3ccnc(C)n3)CC2)cc1 ZINC000369530666 271287768 /nfs/dbraw/zinc/28/77/68/271287768.db2.gz HXLKFGHRDXKEHM-UHFFFAOYSA-N 1 0 309.413 3.473 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)c2ccccc2c1 ZINC000369629455 271301347 /nfs/dbraw/zinc/30/13/47/271301347.db2.gz MTEIAMYHTOMANZ-SJORKVTESA-N 1 0 324.424 3.244 10 0 DGAERO c1cnnc(N2CCC([NH2+]CCCC3CCCCC3)CC2)c1 ZINC000370739878 271386633 /nfs/dbraw/zinc/38/66/33/271386633.db2.gz PKLPAXXBSRXQRN-UHFFFAOYSA-N 1 0 302.466 3.396 10 0 DGAERO C[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247804329 432250699 /nfs/dbraw/zinc/25/06/99/432250699.db2.gz SEZNERBQXFVGCX-PBHICJAKSA-N 1 0 314.408 3.278 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000173014974 432251711 /nfs/dbraw/zinc/25/17/11/432251711.db2.gz USODTWUIQUYONA-CQSZACIVSA-N 1 0 321.490 3.275 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](CCCOc1ccc(F)cc1)CC2 ZINC000247882112 432252770 /nfs/dbraw/zinc/25/27/70/432252770.db2.gz BWCSJNGNRIZBQN-YJBOKZPZSA-N 1 0 307.409 3.222 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)cc1 ZINC000151533093 432254812 /nfs/dbraw/zinc/25/48/12/432254812.db2.gz SUIMOSLQVFNMAG-CQSZACIVSA-N 1 0 308.385 3.127 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000247921311 432255315 /nfs/dbraw/zinc/25/53/15/432255315.db2.gz BFDIFFACZPQNJJ-JTDSTZFVSA-N 1 0 301.478 3.460 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000173047076 432255706 /nfs/dbraw/zinc/25/57/06/432255706.db2.gz QMKCMCLGJCGUKC-INIZCTEOSA-N 1 0 304.478 3.410 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1OC ZINC000247957033 432255763 /nfs/dbraw/zinc/25/57/63/432255763.db2.gz FQVYEVTYYNZVQS-DECQCQTCSA-N 1 0 319.445 3.476 10 0 DGAERO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1C ZINC000247988481 432257934 /nfs/dbraw/zinc/25/79/34/432257934.db2.gz IRJHOBFDQMDHPA-OALUTQOASA-N 1 0 308.425 3.479 10 0 DGAERO CN1CC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c2ccccc21 ZINC000248823896 273922684 /nfs/dbraw/zinc/92/26/84/273922684.db2.gz ZCVIXNRVYBKPEN-SKWUIDRYSA-N 1 0 312.457 3.157 10 0 DGAERO CS[C@H]1CCCC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000092064131 274184548 /nfs/dbraw/zinc/18/45/48/274184548.db2.gz PLUXRXZXDUUQIN-HNNXBMFYSA-N 1 0 304.463 3.064 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1SCCc2sccc21 ZINC000173508350 274285704 /nfs/dbraw/zinc/28/57/04/274285704.db2.gz IWKNOIUMECFUEO-DOMZBBRYSA-N 1 0 324.515 3.069 10 0 DGAERO C[C@@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)[C@@H](C[NH3+])C1 ZINC000261816271 274303222 /nfs/dbraw/zinc/30/32/22/274303222.db2.gz AFTDZGSYXWXYCW-MLGOLLRUSA-N 1 0 303.381 3.040 10 0 DGAERO C[C@@H]1C[N@H+](Cc2csc3ccccc23)C[C@H]1N1CCOCC1 ZINC000246323240 274357714 /nfs/dbraw/zinc/35/77/14/274357714.db2.gz DGHMIPHTLFURDP-RHSMWYFYSA-N 1 0 316.470 3.054 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000252691595 274422023 /nfs/dbraw/zinc/42/20/23/274422023.db2.gz YMLBXDXQRVLYOQ-XDTLVQLUSA-N 1 0 312.207 3.040 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H](C)C1 ZINC000113623866 287772846 /nfs/dbraw/zinc/77/28/46/287772846.db2.gz NSIBNQVLBBMEHV-INMHGKMJSA-N 1 0 307.482 3.081 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c2cccnc12 ZINC000192779129 274752624 /nfs/dbraw/zinc/75/26/24/274752624.db2.gz XSJXNXQHBKCPDR-QRTARXTBSA-N 1 0 309.413 3.402 10 0 DGAERO Cc1csc2c1ncnc2N1CC[NH+](C2CCCC2)CC1 ZINC000189971682 274832365 /nfs/dbraw/zinc/83/23/65/274832365.db2.gz JBRPLFMIKVDPLA-UHFFFAOYSA-N 1 0 302.447 3.064 10 0 DGAERO Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180600553 274883019 /nfs/dbraw/zinc/88/30/19/274883019.db2.gz XFZWJIJIJRSITE-NOZJJQNGSA-N 1 0 323.227 3.177 10 0 DGAERO OCc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000095078397 275050743 /nfs/dbraw/zinc/05/07/43/275050743.db2.gz PRJAJGVBRODZMR-KRWDZBQOSA-N 1 0 321.424 3.193 10 0 DGAERO c1cc(C[NH2+][C@H]2COc3ccccc3C2)n(-c2nccs2)c1 ZINC000019227333 275064453 /nfs/dbraw/zinc/06/44/53/275064453.db2.gz IDDSATMCMRIAMR-CQSZACIVSA-N 1 0 311.410 3.027 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCOC1)CC2 ZINC000310735645 275372254 /nfs/dbraw/zinc/37/22/54/275372254.db2.gz YTPKRHHXXYTZKX-IAQYHMDHSA-N 1 0 310.235 3.453 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)o2)c2ccc(F)cc2C1 ZINC000185351007 275465465 /nfs/dbraw/zinc/46/54/65/275465465.db2.gz GWTDGKOROTZTKC-GOSISDBHSA-N 1 0 316.376 3.310 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000061327920 275557886 /nfs/dbraw/zinc/55/78/86/275557886.db2.gz PHODBZHPPPLKCK-HNNXBMFYSA-N 1 0 306.475 3.362 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103297503 275697165 /nfs/dbraw/zinc/69/71/65/275697165.db2.gz DTJYJDKXDSWDHU-DLBZAZTESA-N 1 0 309.498 3.329 10 0 DGAERO CC(C)[C@H](CCO)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000336708063 275697868 /nfs/dbraw/zinc/69/78/68/275697868.db2.gz LYGSJRAYSHZDLM-QWRGUYRKSA-N 1 0 318.280 3.495 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000151601030 276056693 /nfs/dbraw/zinc/05/66/93/276056693.db2.gz PFIPTKYPEMBPAQ-BZSNNMDCSA-N 1 0 300.446 3.076 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000121121891 276134663 /nfs/dbraw/zinc/13/46/63/276134663.db2.gz QXFMOBYOAWINMK-CQSZACIVSA-N 1 0 323.506 3.187 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000176293605 276180477 /nfs/dbraw/zinc/18/04/77/276180477.db2.gz QUUBRJPMYWLBQE-INIZCTEOSA-N 1 0 318.465 3.009 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000460230321 276182383 /nfs/dbraw/zinc/18/23/83/276182383.db2.gz PZNYXRQDGLSNDZ-ZACQAIPSSA-N 1 0 305.466 3.001 10 0 DGAERO CC1CC[NH+](CC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000190706746 276195737 /nfs/dbraw/zinc/19/57/37/276195737.db2.gz HPCAUYHBNRNQCR-ZDUSSCGKSA-N 1 0 320.399 3.155 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nccc3ccccc32)[C@@H](C)C1 ZINC000247559305 276224429 /nfs/dbraw/zinc/22/44/29/276224429.db2.gz ZKZXOHUISKPOKL-YOEHRIQHSA-N 1 0 311.429 3.037 10 0 DGAERO CCOC(=O)[C@@]1(C)CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000154901410 276291306 /nfs/dbraw/zinc/29/13/06/276291306.db2.gz AQLXYUJNELVWMF-KRWDZBQOSA-N 1 0 302.349 3.153 10 0 DGAERO CC[N@H+](CC(=O)[O-])C1CC[NH+](CCC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000249084899 276315385 /nfs/dbraw/zinc/31/53/85/276315385.db2.gz FAKGKCSJBMHDDD-HZPDHXFCSA-N 1 0 324.509 3.320 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(C2CC2)cc1 ZINC000190980492 276335875 /nfs/dbraw/zinc/33/58/75/276335875.db2.gz MPBPLJLCQCOFEU-AWEZNQCLSA-N 1 0 303.450 3.094 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCCCC2)[C@@H](C)C1 ZINC000247345109 276398539 /nfs/dbraw/zinc/39/85/39/276398539.db2.gz JJPKTDJXNVUYGM-OWLYRPNTSA-N 1 0 306.494 3.392 10 0 DGAERO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@H]1C)CCC2 ZINC000246422576 276692654 /nfs/dbraw/zinc/69/26/54/276692654.db2.gz NGTKLGLFTXHCMY-UMVBOHGHSA-N 1 0 307.507 3.401 10 0 DGAERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000105185748 276829441 /nfs/dbraw/zinc/82/94/41/276829441.db2.gz GOCJVUOCDKMIML-ZBFHGGJFSA-N 1 0 321.852 3.063 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000459746999 277025271 /nfs/dbraw/zinc/02/52/71/277025271.db2.gz GNDRNKUDLGYFDA-QDIHITRGSA-N 1 0 310.482 3.006 10 0 DGAERO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000182059779 277082724 /nfs/dbraw/zinc/08/27/24/277082724.db2.gz IQJYXQYKZRDQFB-KDOFPFPSSA-N 1 0 305.466 3.272 10 0 DGAERO CC(=O)c1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000337376447 277107325 /nfs/dbraw/zinc/10/73/25/277107325.db2.gz AKOWKUVCFQFCSC-AWEZNQCLSA-N 1 0 320.458 3.041 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC1=CCCOC1 ZINC000187642010 277206542 /nfs/dbraw/zinc/20/65/42/277206542.db2.gz MNCQZUJSJGWHOQ-IKGGRYGDSA-N 1 0 321.461 3.308 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091345672 277364243 /nfs/dbraw/zinc/36/42/43/277364243.db2.gz OYXFLVFNQFGIDS-KBXCAEBGSA-N 1 0 303.450 3.411 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC000156404222 278089503 /nfs/dbraw/zinc/08/95/03/278089503.db2.gz CMNQNAKSEBOGFE-SOAGJPPSSA-N 1 0 323.440 3.208 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000459746997 278089776 /nfs/dbraw/zinc/08/97/76/278089776.db2.gz GNDRNKUDLGYFDA-CKUJCDMFSA-N 1 0 310.482 3.006 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000154547430 278233979 /nfs/dbraw/zinc/23/39/79/278233979.db2.gz YLWNNFJPXVRVGP-OAGGEKHMSA-N 1 0 310.482 3.009 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000154914706 278234052 /nfs/dbraw/zinc/23/40/52/278234052.db2.gz KWFJPUPTAHKGEG-QBPKDAKJSA-N 1 0 324.509 3.255 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@@H](C)Cc1ccccc1 ZINC000486294835 278259372 /nfs/dbraw/zinc/25/93/72/278259372.db2.gz UKRRPVPJDLEBAF-ULQDDVLXSA-N 1 0 302.462 3.102 10 0 DGAERO C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000172194065 278326118 /nfs/dbraw/zinc/32/61/18/278326118.db2.gz SBKLVWAMBQDLEX-RHSMWYFYSA-N 1 0 303.450 3.167 10 0 DGAERO C[C@H]1CCC[C@H](C)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000255848347 278351006 /nfs/dbraw/zinc/35/10/06/278351006.db2.gz VTUFOAOJYYWQSU-ZSNVMCELSA-N 1 0 307.482 3.222 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000333357401 278585737 /nfs/dbraw/zinc/58/57/37/278585737.db2.gz KNTPDFUYJDJWOK-JKIFEVAISA-N 1 0 301.434 3.066 10 0 DGAERO Cc1cc(F)ccc1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000071790672 278702937 /nfs/dbraw/zinc/70/29/37/278702937.db2.gz AJCHJTNWRNMVBL-CABCVRRESA-N 1 0 308.397 3.186 10 0 DGAERO CC[N@H+](CC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1)C1CC1 ZINC000153243481 279051925 /nfs/dbraw/zinc/05/19/25/279051925.db2.gz QXZXSLHSCUVJHC-SCLBCKFNSA-N 1 0 304.409 3.220 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000294573264 279053090 /nfs/dbraw/zinc/05/30/90/279053090.db2.gz CANHMFJORJYXKV-SFGNSQDASA-N 1 0 302.237 3.265 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC000248717509 279072513 /nfs/dbraw/zinc/07/25/13/279072513.db2.gz GSGWCPWRARRHDQ-MWLCHTKSSA-N 1 0 319.396 3.139 10 0 DGAERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cn(C)nc1C(C)(C)C ZINC000475277954 279098160 /nfs/dbraw/zinc/09/81/60/279098160.db2.gz ZTAOSAPPPLZQGM-ZYHUDNBSSA-N 1 0 303.372 3.490 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000188148155 279176038 /nfs/dbraw/zinc/17/60/38/279176038.db2.gz XMCYBASOASVARE-HIFRSBDPSA-N 1 0 307.401 3.383 10 0 DGAERO C[C@H](C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203384 279232548 /nfs/dbraw/zinc/23/25/48/279232548.db2.gz QIOKPYGUFKYLML-ITGHMWBKSA-N 1 0 320.399 3.485 10 0 DGAERO CCN(Cc1nnc(C)o1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000069898697 279243554 /nfs/dbraw/zinc/24/35/54/279243554.db2.gz UDQZIDVERVSCML-YOEHRIQHSA-N 1 0 314.433 3.035 10 0 DGAERO Clc1cccc(Cl)c1C1(CNC2=[NH+]CCCN2)CCC1 ZINC000262829298 279294925 /nfs/dbraw/zinc/29/49/25/279294925.db2.gz ZLBDKVJODJLCKB-UHFFFAOYSA-N 1 0 312.244 3.354 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000245429903 279300779 /nfs/dbraw/zinc/30/07/79/279300779.db2.gz KZWRLIHQZBUIAP-ILXRZTDVSA-N 1 0 322.399 3.011 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(c2ccccc2)CCC1 ZINC000176979362 279324668 /nfs/dbraw/zinc/32/46/68/279324668.db2.gz GYUVZXQVPLYTBQ-KRWDZBQOSA-N 1 0 300.446 3.051 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000069373330 431180750 /nfs/dbraw/zinc/18/07/50/431180750.db2.gz LXLSJYDODVYXNW-HNNXBMFYSA-N 1 0 320.481 3.383 10 0 DGAERO C[N@H+](CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000068903170 431150273 /nfs/dbraw/zinc/15/02/73/431150273.db2.gz XLRVUHNDEYPDFO-MSOLQXFVSA-N 1 0 318.436 3.310 10 0 DGAERO Cc1ccccc1SCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000068937382 431154597 /nfs/dbraw/zinc/15/45/97/431154597.db2.gz HMYZSXWCCLDVGA-UHFFFAOYSA-N 1 0 320.502 3.468 10 0 DGAERO C[C@@H](O)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000111287859 431207881 /nfs/dbraw/zinc/20/78/81/431207881.db2.gz HPKFWVZXWBFOJR-LLVKDONJSA-N 1 0 303.324 3.178 10 0 DGAERO C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cncc(F)c1 ZINC000188628348 279489425 /nfs/dbraw/zinc/48/94/25/279489425.db2.gz QEBSFHMODSDPEX-JKOKRWQUSA-N 1 0 320.330 3.355 10 0 DGAERO CC(C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111506565 431225638 /nfs/dbraw/zinc/22/56/38/431225638.db2.gz UKBTXPIMQDZTES-AYHJJNSGSA-N 1 0 315.461 3.137 10 0 DGAERO CC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CC1CC1 ZINC000070011803 431234559 /nfs/dbraw/zinc/23/45/59/431234559.db2.gz APEAFOBLEQJCQZ-LBPRGKRZSA-N 1 0 318.244 3.465 10 0 DGAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)Cc2cccs2)cc1 ZINC000071270625 431277004 /nfs/dbraw/zinc/27/70/04/431277004.db2.gz SLBLRDCUWPHQNF-LSDHHAIUSA-N 1 0 305.443 3.017 10 0 DGAERO O=C(c1ccnc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918773 431316532 /nfs/dbraw/zinc/31/65/32/431316532.db2.gz OSCXAOZYFPYWHG-UHFFFAOYSA-N 1 0 323.440 3.183 10 0 DGAERO C[NH+](C)C1CCN(C(=O)C(C)(C)Oc2cccc(Cl)c2)CC1 ZINC000112637653 431290963 /nfs/dbraw/zinc/29/09/63/431290963.db2.gz GYPZUECMPSSBSI-UHFFFAOYSA-N 1 0 324.852 3.050 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2CCCCC2)C1 ZINC000071920004 431316890 /nfs/dbraw/zinc/31/68/90/431316890.db2.gz CZBVRAONWVNHSW-HZPDHXFCSA-N 1 0 309.498 3.376 10 0 DGAERO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000112989867 431324375 /nfs/dbraw/zinc/32/43/75/431324375.db2.gz DPQGCABTCJYTPX-HNNXBMFYSA-N 1 0 304.434 3.107 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1coc2ccccc12 ZINC000113153004 431332049 /nfs/dbraw/zinc/33/20/49/431332049.db2.gz QNRDABDDZJHRBV-MRXNPFEDSA-N 1 0 322.408 3.336 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc2ncccc21 ZINC000113197134 431332389 /nfs/dbraw/zinc/33/23/89/431332389.db2.gz FZRCKOJXALNBJO-HNNXBMFYSA-N 1 0 311.429 3.229 10 0 DGAERO C[C@H]1CCCN(CCOc2c(Cl)cccc2Cl)[C@@H]1C[NH3+] ZINC000070177660 279669707 /nfs/dbraw/zinc/66/97/07/279669707.db2.gz YAPTZHXAHRLXCF-SMDDNHRTSA-N 1 0 317.260 3.431 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc2ccccc21 ZINC000113230673 431334641 /nfs/dbraw/zinc/33/46/41/431334641.db2.gz MUVBQQRJZGGDIA-MAUKXSAKSA-N 1 0 308.425 3.077 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2s1 ZINC000113223375 431335546 /nfs/dbraw/zinc/33/55/46/431335546.db2.gz YIAULTURXAXDDU-TZMCWYRMSA-N 1 0 300.427 3.210 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000113268717 431340414 /nfs/dbraw/zinc/34/04/14/431340414.db2.gz YOLTVYNOUWSNOG-CZUORRHYSA-N 1 0 315.392 3.149 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(Br)c1 ZINC000113269178 431340446 /nfs/dbraw/zinc/34/04/46/431340446.db2.gz LHWXWQTXAVYMSY-ZYHUDNBSSA-N 1 0 315.280 3.179 10 0 DGAERO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2OC)C1 ZINC000072838049 431352315 /nfs/dbraw/zinc/35/23/15/431352315.db2.gz VIPLUEGUVWFNHJ-KBPBESRZSA-N 1 0 322.474 3.240 10 0 DGAERO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000007607110 431357712 /nfs/dbraw/zinc/35/77/12/431357712.db2.gz SHMFOUQUWYHFKL-MKBNYLNASA-N 1 0 310.388 3.310 10 0 DGAERO C[C@@H](CCOc1ccccc1)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000073018544 431357884 /nfs/dbraw/zinc/35/78/84/431357884.db2.gz BDESFNGGPALLAJ-DLBZAZTESA-N 1 0 318.461 3.082 10 0 DGAERO C[C@H]1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000261870909 279707373 /nfs/dbraw/zinc/70/73/73/279707373.db2.gz SIDVIXZVYPZUOK-IUCAKERBSA-N 1 0 319.207 3.332 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1 ZINC000007817275 431364210 /nfs/dbraw/zinc/36/42/10/431364210.db2.gz ZNJCGAYIEZCFLV-OAHLLOKOSA-N 1 0 314.454 3.270 10 0 DGAERO CC[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000074365983 431416533 /nfs/dbraw/zinc/41/65/33/431416533.db2.gz HXPJUNSKBNDAKE-ZIAGYGMSSA-N 1 0 324.494 3.110 10 0 DGAERO CC[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000074365970 431416640 /nfs/dbraw/zinc/41/66/40/431416640.db2.gz HXPJUNSKBNDAKE-KBPBESRZSA-N 1 0 324.494 3.110 10 0 DGAERO Cc1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000008031200 431376235 /nfs/dbraw/zinc/37/62/35/431376235.db2.gz QITDQVRVZPKAIU-OAHLLOKOSA-N 1 0 309.818 3.122 10 0 DGAERO [NH3+]C[C@H](c1c(F)cccc1Cl)S(=O)(=O)c1cccs1 ZINC000008037803 431377783 /nfs/dbraw/zinc/37/77/83/431377783.db2.gz KUJDFIYOEYWLFY-SNVBAGLBSA-N 1 0 319.810 3.014 10 0 DGAERO CCOc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1F ZINC000114270231 431382692 /nfs/dbraw/zinc/38/26/92/431382692.db2.gz BWLZBXLPCDUULV-AWEZNQCLSA-N 1 0 322.424 3.105 10 0 DGAERO COc1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483065 431390161 /nfs/dbraw/zinc/39/01/61/431390161.db2.gz KBEDLTMSSFNJQQ-OAHLLOKOSA-N 1 0 301.390 3.024 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]3CCC[C@H]32)CC1 ZINC000073953045 431390893 /nfs/dbraw/zinc/39/08/93/431390893.db2.gz PHIKNNBCGZLNMV-IAGOWNOFSA-N 1 0 307.482 3.083 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)CCc2cccs2)CC1 ZINC000073952921 431391974 /nfs/dbraw/zinc/39/19/74/431391974.db2.gz LWNOKQCOZQFFCG-UHFFFAOYSA-N 1 0 323.506 3.054 10 0 DGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114588625 431397578 /nfs/dbraw/zinc/39/75/78/431397578.db2.gz SSSRTYZQXCEYFZ-LPHOPBHVSA-N 1 0 317.477 3.003 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C12CCOCC2 ZINC000186423586 279820816 /nfs/dbraw/zinc/82/08/16/279820816.db2.gz OAYWJQBSPUTZFB-BRWVUGGUSA-N 1 0 323.477 3.042 10 0 DGAERO Cc1ccc(F)cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115415536 431453135 /nfs/dbraw/zinc/45/31/35/431453135.db2.gz GRIWGPSSBVJWNU-UHFFFAOYSA-N 1 0 318.367 3.265 10 0 DGAERO CCOCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCC ZINC000010474662 431463834 /nfs/dbraw/zinc/46/38/34/431463834.db2.gz BQUBQJSLOPWFOU-UHFFFAOYSA-N 1 0 301.814 3.264 10 0 DGAERO CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@@H](C)c1cccnc1 ZINC000115797814 431471869 /nfs/dbraw/zinc/47/18/69/431471869.db2.gz BGFYHWYDXCGFHE-CVEARBPZSA-N 1 0 318.465 3.049 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2OC(C)(C)C)C1 ZINC000115776908 431472305 /nfs/dbraw/zinc/47/23/05/431472305.db2.gz IOCIJVXFQXBDKB-CQSZACIVSA-N 1 0 319.449 3.470 10 0 DGAERO CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@H](C)c1cccnc1 ZINC000115797816 431473583 /nfs/dbraw/zinc/47/35/83/431473583.db2.gz BGFYHWYDXCGFHE-HZPDHXFCSA-N 1 0 318.465 3.049 10 0 DGAERO CC[C@H]1CCCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844947 431476775 /nfs/dbraw/zinc/47/67/75/431476775.db2.gz FAPSFMDXXYERCK-INIZCTEOSA-N 1 0 321.440 3.361 10 0 DGAERO CCC(CC)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115845207 431476928 /nfs/dbraw/zinc/47/69/28/431476928.db2.gz YFXWVNFEGKPCBO-UHFFFAOYSA-N 1 0 309.429 3.123 10 0 DGAERO CSc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000074512601 431428152 /nfs/dbraw/zinc/42/81/52/431428152.db2.gz SYDHGLJZFPFQGF-CQSZACIVSA-N 1 0 306.475 3.289 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000116746483 431524869 /nfs/dbraw/zinc/52/48/69/431524869.db2.gz TVBMAORJJXGCOL-LBPRGKRZSA-N 1 0 305.397 3.076 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/C(C)(C)C ZINC000116766746 431525958 /nfs/dbraw/zinc/52/59/58/431525958.db2.gz KAAAFADSPBZHBE-BKAAMJMJSA-N 1 0 315.461 3.011 10 0 DGAERO C[C@@H](CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc(F)c1 ZINC000116006093 431481583 /nfs/dbraw/zinc/48/15/83/431481583.db2.gz BBPUQXYSOORNJH-WMLDXEAASA-N 1 0 304.409 3.016 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccccc3C(F)(F)F)C2)cn1 ZINC000116322140 431502557 /nfs/dbraw/zinc/50/25/57/431502557.db2.gz AAQCBRBZFHDOOA-GFCCVEGCSA-N 1 0 309.335 3.428 10 0 DGAERO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116298286 431504404 /nfs/dbraw/zinc/50/44/04/431504404.db2.gz SEJMVDDHELLISJ-NVXWUHKLSA-N 1 0 301.386 3.165 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116297471 431504421 /nfs/dbraw/zinc/50/44/21/431504421.db2.gz FBHXFCQOQVIRBG-DLBZAZTESA-N 1 0 315.413 3.473 10 0 DGAERO O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)c2ccc(O)cc2o1 ZINC000116296999 431504487 /nfs/dbraw/zinc/50/44/87/431504487.db2.gz WYZXYEMSTFQXRO-OAHLLOKOSA-N 1 0 311.337 3.429 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000075982235 431510048 /nfs/dbraw/zinc/51/00/48/431510048.db2.gz XGRHHQXRINPLLH-WBMJQRKESA-N 1 0 321.852 3.012 10 0 DGAERO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116404353 431510620 /nfs/dbraw/zinc/51/06/20/431510620.db2.gz RKVRHBXQAYITJL-FUHWJXTLSA-N 1 0 315.413 3.473 10 0 DGAERO CC1CC[NH+](CCCNC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116524010 431515453 /nfs/dbraw/zinc/51/54/53/431515453.db2.gz WBMZICLSNOVORP-INIZCTEOSA-N 1 0 319.449 3.248 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccnc3)C2)c1 ZINC000117379653 431560834 /nfs/dbraw/zinc/56/08/34/431560834.db2.gz ZWHLIAKJTZGACW-DOTOQJQBSA-N 1 0 311.429 3.410 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3cccnc3)C2)c1 ZINC000117379656 431560941 /nfs/dbraw/zinc/56/09/41/431560941.db2.gz ZWHLIAKJTZGACW-NVXWUHKLSA-N 1 0 311.429 3.410 10 0 DGAERO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3ccc(C(N)=O)cc3)C2)cc1 ZINC000076391004 431545626 /nfs/dbraw/zinc/54/56/26/431545626.db2.gz MFPCOJUHUKQAQP-KSSFIOAISA-N 1 0 324.424 3.172 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000076425139 431550078 /nfs/dbraw/zinc/55/00/78/431550078.db2.gz UATUNBAQDKIVMU-CRAIPNDOSA-N 1 0 315.461 3.126 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(C)cc2C)[C@H](C)C1 ZINC000076485066 431553093 /nfs/dbraw/zinc/55/30/93/431553093.db2.gz JZLMCNZRMUSPMG-MJGOQNOKSA-N 1 0 316.489 3.425 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccccc2C)[C@H](C)C1 ZINC000076480091 431553915 /nfs/dbraw/zinc/55/39/15/431553915.db2.gz QEXDZJLZACEOLC-SJLPKXTDSA-N 1 0 302.462 3.116 10 0 DGAERO CCS[C@@H]1CCCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000236894850 280041458 /nfs/dbraw/zinc/04/14/58/280041458.db2.gz OPZCQDMBACGCIC-FZKCQIBNSA-N 1 0 310.507 3.041 10 0 DGAERO CC[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc(C)cc1 ZINC000194652585 280171757 /nfs/dbraw/zinc/17/17/57/280171757.db2.gz QTGLTATVHWKHGB-GOSISDBHSA-N 1 0 315.461 3.326 10 0 DGAERO CC(C)[C@H](C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000187702068 280222580 /nfs/dbraw/zinc/22/25/80/280222580.db2.gz UURTYUNDHLQMBD-NFOMZHRRSA-N 1 0 314.429 3.228 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000077205087 431572665 /nfs/dbraw/zinc/57/26/65/431572665.db2.gz CCFRFHHFNIGXMR-ZWNOBZJWSA-N 1 0 305.390 3.376 10 0 DGAERO CC(C)[C@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124554485 280268972 /nfs/dbraw/zinc/26/89/72/280268972.db2.gz AIEHLSNISBNTQB-QRQLOZEOSA-N 1 0 316.489 3.442 10 0 DGAERO CC(C)[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000091405725 280327176 /nfs/dbraw/zinc/32/71/76/280327176.db2.gz UETOMFHDDSDQLI-LSDHHAIUSA-N 1 0 318.244 3.432 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000117876800 431582459 /nfs/dbraw/zinc/58/24/59/431582459.db2.gz NMMOMWRRJMJACB-HNNXBMFYSA-N 1 0 316.474 3.270 10 0 DGAERO CC(C)[N@H+](Cc1nnc(-c2ccccc2)o1)C1CCOCC1 ZINC000077323231 431583773 /nfs/dbraw/zinc/58/37/73/431583773.db2.gz QWHFNLIMHOKKKM-UHFFFAOYSA-N 1 0 301.390 3.126 10 0 DGAERO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077381748 431590926 /nfs/dbraw/zinc/59/09/26/431590926.db2.gz FJXCWXDHHRWGJF-HNNXBMFYSA-N 1 0 300.358 3.357 10 0 DGAERO O[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000247257792 280434742 /nfs/dbraw/zinc/43/47/42/280434742.db2.gz YXJIPSHXAGLQBU-GVDBMIGSSA-N 1 0 315.800 3.412 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C)c2Cl)[C@H](C)C1 ZINC000119130714 431651799 /nfs/dbraw/zinc/65/17/99/431651799.db2.gz BCKCKFDSFDNSPY-UKRRQHHQSA-N 1 0 308.853 3.451 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025439466 431657460 /nfs/dbraw/zinc/65/74/60/431657460.db2.gz BMWULGYCUBWZSN-KRWDZBQOSA-N 1 0 324.424 3.341 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c(SC)cc1OC ZINC000077988417 431630511 /nfs/dbraw/zinc/63/05/11/431630511.db2.gz UNPPYCREEWHOTR-AAEUAGOBSA-N 1 0 311.447 3.083 10 0 DGAERO CCCn1cc(CN(Cc2ccco2)C[C@H]2CCCO2)cn1 ZINC000119077947 431642495 /nfs/dbraw/zinc/64/24/95/431642495.db2.gz JKCZQTTUCNCZLH-QGZVFWFLSA-N 1 0 303.406 3.067 10 0 DGAERO Cc1cc(Cl)ncc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178099895 280511204 /nfs/dbraw/zinc/51/12/04/280511204.db2.gz ATVQWFJTRMAULG-CYBMUJFWSA-N 1 0 322.840 3.136 10 0 DGAERO C[NH+]1CCC(NC(=O)CSc2ccc3ccccc3c2)CC1 ZINC000078422446 431669085 /nfs/dbraw/zinc/66/90/85/431669085.db2.gz VLXUAKFWAZOEEU-UHFFFAOYSA-N 1 0 314.454 3.142 10 0 DGAERO COC(=O)c1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)s1 ZINC000119424580 431689211 /nfs/dbraw/zinc/68/92/11/431689211.db2.gz CCGSQXYCZQZXSF-CQSZACIVSA-N 1 0 323.458 3.458 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000119437234 431691626 /nfs/dbraw/zinc/69/16/26/431691626.db2.gz CUZGHBWONDYOGO-CABCVRRESA-N 1 0 311.429 3.093 10 0 DGAERO O=C(c1cccc(Oc2ccccc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932832 431698530 /nfs/dbraw/zinc/69/85/30/431698530.db2.gz KHNJQQNHWXWFPV-KRWDZBQOSA-N 1 0 322.408 3.399 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000079495335 431725083 /nfs/dbraw/zinc/72/50/83/431725083.db2.gz MGLBTSVWTNWGQC-WMZOPIPTSA-N 1 0 317.477 3.292 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1F ZINC000120964400 431737657 /nfs/dbraw/zinc/73/76/57/431737657.db2.gz OWVDSEONVXKZRX-UGSOOPFHSA-N 1 0 312.388 3.198 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc2cc[nH]c21 ZINC000079677812 431739795 /nfs/dbraw/zinc/73/97/95/431739795.db2.gz XIYTVMLIMZUTAD-QGZVFWFLSA-N 1 0 321.424 3.071 10 0 DGAERO O=C(c1cc(Cl)c(Cl)[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000121069007 431739959 /nfs/dbraw/zinc/73/99/59/431739959.db2.gz ZPPWQJQIKDBPJY-UHFFFAOYSA-N 1 0 316.232 3.022 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(C2CC2)[nH]n1 ZINC000030606177 431742677 /nfs/dbraw/zinc/74/26/77/431742677.db2.gz LZRHRFKWSAHFDE-UHFFFAOYSA-N 1 0 310.401 3.135 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)CCc1ccccc1F ZINC000080248042 431765180 /nfs/dbraw/zinc/76/51/80/431765180.db2.gz YGMGDLKNQIBALP-CABCVRRESA-N 1 0 308.441 3.241 10 0 DGAERO Cc1noc([C@@H](C)N2CC[NH+](CC3CCCCCC3)CC2)n1 ZINC000121250250 431758744 /nfs/dbraw/zinc/75/87/44/431758744.db2.gz FTFQIXUEUYAIMC-CQSZACIVSA-N 1 0 306.454 3.027 10 0 DGAERO CC(C)c1nnc(CN2CC[C@H](Cc3ccc(F)cc3)C2)n1C ZINC000121280212 431764299 /nfs/dbraw/zinc/76/42/99/431764299.db2.gz KKDWEHPSHFDPHX-OAHLLOKOSA-N 1 0 316.424 3.142 10 0 DGAERO COc1cccc([C@H](C)[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000081668332 431799053 /nfs/dbraw/zinc/79/90/53/431799053.db2.gz YRZCBUUJVIASHY-AWEZNQCLSA-N 1 0 317.458 3.425 10 0 DGAERO COc1cccc([C@@H](C)[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000081643742 431799962 /nfs/dbraw/zinc/79/99/62/431799962.db2.gz DEXWPAPLRFXHNO-OAHLLOKOSA-N 1 0 312.413 3.284 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000122030391 431810276 /nfs/dbraw/zinc/81/02/76/431810276.db2.gz HUMXTDBAEPNRPV-MRXNPFEDSA-N 1 0 323.444 3.288 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000033222965 431810256 /nfs/dbraw/zinc/81/02/56/431810256.db2.gz UOCOIJLSUVRSSR-SFHVURJKSA-N 1 0 307.397 3.201 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)CCS1 ZINC000084074824 431813197 /nfs/dbraw/zinc/81/31/97/431813197.db2.gz HAUBYWRNXUNCIK-LBPRGKRZSA-N 1 0 310.488 3.398 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)C)cc1 ZINC000121371712 431777970 /nfs/dbraw/zinc/77/79/70/431777970.db2.gz SYVGXOUHKVJMPS-MRXNPFEDSA-N 1 0 311.491 3.071 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000122646780 431840375 /nfs/dbraw/zinc/84/03/75/431840375.db2.gz XWDQMTZOJDPWNA-CJNGLKHVSA-N 1 0 308.853 3.071 10 0 DGAERO COC[C@@](C)(CCO)[NH2+]CCCc1cccc2ccccc21 ZINC000085903336 431842478 /nfs/dbraw/zinc/84/24/78/431842478.db2.gz OIQXQPGFJYIKDV-LJQANCHMSA-N 1 0 301.430 3.150 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000085987607 431842753 /nfs/dbraw/zinc/84/27/53/431842753.db2.gz JLQQUHAEBHYHDM-FZMZJTMJSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1cccc(NC(=O)CN2CCC(OCC(C)C)CC2)c1 ZINC000122791515 431844442 /nfs/dbraw/zinc/84/44/42/431844442.db2.gz CFWDIYYFQXPQGY-UHFFFAOYSA-N 1 0 304.434 3.071 10 0 DGAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000037220673 431844915 /nfs/dbraw/zinc/84/49/15/431844915.db2.gz RXEBULIMKNTABJ-SECBINFHSA-N 1 0 316.232 3.187 10 0 DGAERO COc1cc(C[NH2+]CC2CCC2)cc(Br)c1O ZINC000037180324 431845270 /nfs/dbraw/zinc/84/52/70/431845270.db2.gz ICBPQPJCRTXWJJ-UHFFFAOYSA-N 1 0 300.196 3.053 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccc(Cl)c3cccnc23)CC1 ZINC000037764638 431849905 /nfs/dbraw/zinc/84/99/05/431849905.db2.gz HZCRRLKAIBZHMC-UHFFFAOYSA-N 1 0 303.793 3.344 10 0 DGAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](C)c2cccs2)c1 ZINC000037890100 431851455 /nfs/dbraw/zinc/85/14/55/431851455.db2.gz ZROQDAWLQKNSOH-CABCVRRESA-N 1 0 305.443 3.455 10 0 DGAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)c2cccs2)c1 ZINC000037890099 431851504 /nfs/dbraw/zinc/85/15/04/431851504.db2.gz ZROQDAWLQKNSOH-HUUCEWRRSA-N 1 0 305.443 3.455 10 0 DGAERO O=C(c1ccc(Cl)cc1F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917229 431851610 /nfs/dbraw/zinc/85/16/10/431851610.db2.gz XKEWHJWOFJRPES-XHDPSFHLSA-N 1 0 310.800 3.083 10 0 DGAERO Fc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1Br ZINC000037988730 431851980 /nfs/dbraw/zinc/85/19/80/431851980.db2.gz WWBPIQJHHDMIAU-NSHDSACASA-N 1 0 302.187 3.247 10 0 DGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000123112074 431855982 /nfs/dbraw/zinc/85/59/82/431855982.db2.gz NFGPUHJSWUONBT-ZBFHGGJFSA-N 1 0 306.450 3.085 10 0 DGAERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1C[C@@H]1c1ccco1 ZINC000123241794 431858820 /nfs/dbraw/zinc/85/88/20/431858820.db2.gz GMNNPCUTAGRCGG-OKZBNKHCSA-N 1 0 324.424 3.336 10 0 DGAERO Cc1cccc(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000123321856 431861795 /nfs/dbraw/zinc/86/17/95/431861795.db2.gz XVLKRCPKQILEJH-NVXWUHKLSA-N 1 0 318.461 3.013 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)CCSc2ccc(F)cc2)CC[N@@H+]1C ZINC000123384155 431863415 /nfs/dbraw/zinc/86/34/15/431863415.db2.gz UYFFWHRQEOAKMQ-ZFWWWQNUSA-N 1 0 324.465 3.249 10 0 DGAERO CCSc1cc(Cl)ccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000123415263 431863879 /nfs/dbraw/zinc/86/38/79/431863879.db2.gz XULFRFRGRMKICJ-LBPRGKRZSA-N 1 0 312.866 3.228 10 0 DGAERO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000123500850 431866610 /nfs/dbraw/zinc/86/66/10/431866610.db2.gz FYZFHEDQBPJASL-FZKQIMNGSA-N 1 0 310.397 3.299 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)n1 ZINC000089518488 431869131 /nfs/dbraw/zinc/86/91/31/431869131.db2.gz GONHVAWOAFVPCT-SECBINFHSA-N 1 0 315.295 3.170 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000123602411 431869162 /nfs/dbraw/zinc/86/91/62/431869162.db2.gz DIBTYGKONUVWQN-GXTWGEPZSA-N 1 0 316.367 3.500 10 0 DGAERO CC(C)c1csc(NC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000043601421 431869456 /nfs/dbraw/zinc/86/94/56/431869456.db2.gz OUMNZQPOGDGHOK-UHFFFAOYSA-N 1 0 308.451 3.015 10 0 DGAERO C[C@@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)c1ccc(Cl)s1 ZINC000043595308 431869528 /nfs/dbraw/zinc/86/95/28/431869528.db2.gz NGSJUHYWCQWAKI-BMIGLBTASA-N 1 0 320.845 3.466 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CCc1cccc(C(N)=O)c1)CCCO2 ZINC000089546478 431870530 /nfs/dbraw/zinc/87/05/30/431870530.db2.gz FPRUMAIHTROPKJ-GOSISDBHSA-N 1 0 324.424 3.140 10 0 DGAERO C[C@@H](C(=O)N1CCN(C2CC2)CC1)c1ccc2ccccc2c1 ZINC000084588274 431829456 /nfs/dbraw/zinc/82/94/56/431829456.db2.gz RLFCJANENBKOAL-OAHLLOKOSA-N 1 0 308.425 3.250 10 0 DGAERO C[C@H]1C[NH+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@H](C)O1 ZINC000122389161 431831255 /nfs/dbraw/zinc/83/12/55/431831255.db2.gz HIHDYXRLSUUDBA-RYUDHWBXSA-N 1 0 321.808 3.042 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ccccc3o2)[C@H](C)C1 ZINC000122495254 431834965 /nfs/dbraw/zinc/83/49/65/431834965.db2.gz ATQULABXJPGVBY-HIFRSBDPSA-N 1 0 300.402 3.235 10 0 DGAERO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccs1)C1CC1 ZINC000036103429 431836812 /nfs/dbraw/zinc/83/68/12/431836812.db2.gz GYWAVCJYXSGULW-QGZVFWFLSA-N 1 0 317.454 3.290 10 0 DGAERO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000085387215 431839433 /nfs/dbraw/zinc/83/94/33/431839433.db2.gz YZQJBVGCMZMRSW-WWGRRREGSA-N 1 0 323.868 3.383 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)[NH+](C)C ZINC000124926551 431908590 /nfs/dbraw/zinc/90/85/90/431908590.db2.gz JXEHFTMSTRPCEE-GOSISDBHSA-N 1 0 311.429 3.341 10 0 DGAERO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000093660910 431917610 /nfs/dbraw/zinc/91/76/10/431917610.db2.gz XENIKLNIWWRLBG-MRXNPFEDSA-N 1 0 301.434 3.190 10 0 DGAERO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093868746 431918961 /nfs/dbraw/zinc/91/89/61/431918961.db2.gz UWNACOHUXXYKEX-HOCLYGCPSA-N 1 0 318.490 3.452 10 0 DGAERO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093868748 431919175 /nfs/dbraw/zinc/91/91/75/431919175.db2.gz UWNACOHUXXYKEX-ZBFHGGJFSA-N 1 0 318.490 3.452 10 0 DGAERO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095089087 431921078 /nfs/dbraw/zinc/92/10/78/431921078.db2.gz GWWDLUTYLMMKFE-UONOGXRCSA-N 1 0 305.422 3.132 10 0 DGAERO CC(C)[NH2+]CC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095088497 431921756 /nfs/dbraw/zinc/92/17/56/431921756.db2.gz SHANAXBIXMUZCV-MRXNPFEDSA-N 1 0 304.434 3.423 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000095089259 431921841 /nfs/dbraw/zinc/92/18/41/431921841.db2.gz HPBCBZCJAWPJCN-NWDGAFQWSA-N 1 0 311.451 3.051 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)c2scnc2C2CC2)c1 ZINC000089718684 431875933 /nfs/dbraw/zinc/87/59/33/431875933.db2.gz TZKKYNDGHXSJGJ-UHFFFAOYSA-N 1 0 301.415 3.334 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)s1 ZINC000089732861 431876541 /nfs/dbraw/zinc/87/65/41/431876541.db2.gz RJGGBEWAJMJHTD-KBPBESRZSA-N 1 0 302.447 3.166 10 0 DGAERO COCCCCOc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000089736746 431876788 /nfs/dbraw/zinc/87/67/88/431876788.db2.gz FROPSJRSSTWEIN-UHFFFAOYSA-N 1 0 307.434 3.357 10 0 DGAERO CC(C)COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123899168 431878175 /nfs/dbraw/zinc/87/81/75/431878175.db2.gz QGZCNZKDLIXQLH-NVXWUHKLSA-N 1 0 318.461 3.276 10 0 DGAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1scnc1C1CC1 ZINC000089777638 431878551 /nfs/dbraw/zinc/87/85/51/431878551.db2.gz ADFUSNPZAYCZEH-FRRDWIJNSA-N 1 0 321.490 3.117 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000123989922 431880168 /nfs/dbraw/zinc/88/01/68/431880168.db2.gz VVKUWFPWZJTGMX-DYVFJYSZSA-N 1 0 317.408 3.395 10 0 DGAERO Cn1cccc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000089808473 431880311 /nfs/dbraw/zinc/88/03/11/431880311.db2.gz PMUIXARJNJSSDY-IAGOWNOFSA-N 1 0 303.837 3.214 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]CCn1cc(C)cn1)C(C)C ZINC000124017160 431881014 /nfs/dbraw/zinc/88/10/14/431881014.db2.gz NQWZTGFESBJGIC-QGZVFWFLSA-N 1 0 301.434 3.057 10 0 DGAERO CCOc1ccc([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124263979 431888046 /nfs/dbraw/zinc/88/80/46/431888046.db2.gz SZKWJMWTTQXHCY-CYBMUJFWSA-N 1 0 301.434 3.329 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000090186940 431890011 /nfs/dbraw/zinc/89/00/11/431890011.db2.gz VYHQDYSVUQSBPQ-HZMBPMFUSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1ccco1 ZINC000124355812 431891639 /nfs/dbraw/zinc/89/16/39/431891639.db2.gz DKZZODOLIYCXQG-LSDHHAIUSA-N 1 0 307.438 3.102 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)CCSc2ccccc2F)CC[N@@H+]1C ZINC000124433519 431893919 /nfs/dbraw/zinc/89/39/19/431893919.db2.gz OVEYYLJDCVZMQD-ZIAGYGMSSA-N 1 0 324.465 3.249 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000090943033 431898665 /nfs/dbraw/zinc/89/86/65/431898665.db2.gz GQQHOMPDMAUAIR-UYHISHBKSA-N 1 0 317.383 3.456 10 0 DGAERO CCSCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124655252 431900732 /nfs/dbraw/zinc/90/07/32/431900732.db2.gz ZVTPZBKEWBDZNF-RHSMWYFYSA-N 1 0 320.502 3.494 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000091374809 431903775 /nfs/dbraw/zinc/90/37/75/431903775.db2.gz CZQSBYGJCPROSB-AZUAARDMSA-N 1 0 322.456 3.495 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000091318848 431903939 /nfs/dbraw/zinc/90/39/39/431903939.db2.gz KURRMWVSXWVQPC-IEBWSBKVSA-N 1 0 320.477 3.093 10 0 DGAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(C)cc2)s1 ZINC000092099372 431907180 /nfs/dbraw/zinc/90/71/80/431907180.db2.gz XAUODLSFXZOHBK-MRXNPFEDSA-N 1 0 314.454 3.434 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cc(Br)ccc1F ZINC000127376708 431970889 /nfs/dbraw/zinc/97/08/89/431970889.db2.gz DYXRNRSJZIYQLY-RWEMILLDSA-N 1 0 302.187 3.416 10 0 DGAERO OC[C@H]([NH2+]Cc1ccc(Br)c(F)c1)c1ccccc1 ZINC000127469720 431973288 /nfs/dbraw/zinc/97/32/88/431973288.db2.gz CGSJVQVMVOIAII-HNNXBMFYSA-N 1 0 324.193 3.411 10 0 DGAERO CCn1cc([C@@H](C)[NH2+]Cc2ccccc2-n2ccc(C)n2)cn1 ZINC000127665638 431977676 /nfs/dbraw/zinc/97/76/76/431977676.db2.gz LLIKKROOSWPVKL-OAHLLOKOSA-N 1 0 309.417 3.248 10 0 DGAERO CN1CC[C@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127734296 431978900 /nfs/dbraw/zinc/97/89/00/431978900.db2.gz QIVUPNURBLTJGS-IRXDYDNUSA-N 1 0 316.351 3.140 10 0 DGAERO C[NH+](C)C[C@H]1CCN(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000125462162 431926596 /nfs/dbraw/zinc/92/65/96/431926596.db2.gz QQFMMRNVEZUOLS-OAHLLOKOSA-N 1 0 313.420 3.271 10 0 DGAERO COc1cc([C@@H](C)[NH2+]Cc2cccc(C)n2)cc(OC)c1OC ZINC000125521443 431928179 /nfs/dbraw/zinc/92/81/79/431928179.db2.gz UNTABKQOMCNPOJ-CYBMUJFWSA-N 1 0 316.401 3.267 10 0 DGAERO Cc1ccccc1[C@@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000125777442 431935455 /nfs/dbraw/zinc/93/54/55/431935455.db2.gz QQQBNASSRGADLQ-MRXNPFEDSA-N 1 0 313.445 3.124 10 0 DGAERO COc1ccc(CN2CCO[C@@H](c3ccsc3)C2)cc1F ZINC000125933736 431939139 /nfs/dbraw/zinc/93/91/39/431939139.db2.gz XDNJZQIOJQGSGI-MRXNPFEDSA-N 1 0 307.390 3.469 10 0 DGAERO CCc1cc(N2CCC(OCCCO)CC2)c2ccccc2[nH+]1 ZINC000126071275 431942028 /nfs/dbraw/zinc/94/20/28/431942028.db2.gz WWRVBEZKEGGKPY-UHFFFAOYSA-N 1 0 314.429 3.165 10 0 DGAERO Cc1cn2c(CN3CCC([NH+]4CCCC4)CC3)c(C)nc2s1 ZINC000127760526 431980135 /nfs/dbraw/zinc/98/01/35/431980135.db2.gz OYXSUEORLQXXAA-UHFFFAOYSA-N 1 0 318.490 3.073 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2cc(C)sc2C)C1 ZINC000052525043 431956399 /nfs/dbraw/zinc/95/63/99/431956399.db2.gz XEOBNUUQQBCHDC-GXTWGEPZSA-N 1 0 309.479 3.209 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCSc3ccccc32)C1 ZINC000052498975 431956901 /nfs/dbraw/zinc/95/69/01/431956901.db2.gz ZNHVGKAHSVDWJU-DZGCQCFKSA-N 1 0 319.474 3.007 10 0 DGAERO CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000052594031 431957407 /nfs/dbraw/zinc/95/74/07/431957407.db2.gz FPBPGYSCZLXAGV-UKRRQHHQSA-N 1 0 321.490 3.251 10 0 DGAERO C[C@@H]1C[N@H+](CCc2ccncc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126796778 431957553 /nfs/dbraw/zinc/95/75/53/431957553.db2.gz BPUYZFYKFYJILJ-RDTXWAMCSA-N 1 0 300.377 3.225 10 0 DGAERO Cc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)cc1F ZINC000126813109 431958597 /nfs/dbraw/zinc/95/85/97/431958597.db2.gz VLUAYLJRCAJBGI-UHFFFAOYSA-N 1 0 324.827 3.488 10 0 DGAERO C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1cccs1 ZINC000053561359 431963796 /nfs/dbraw/zinc/96/37/96/431963796.db2.gz NQMCCTLQHWKAKV-AWEZNQCLSA-N 1 0 309.479 3.230 10 0 DGAERO CC(C)COC1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000054327178 431969433 /nfs/dbraw/zinc/96/94/33/431969433.db2.gz HPTZGTFDRAKGJB-CGZBRXJRSA-N 1 0 324.509 3.207 10 0 DGAERO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000097489676 431969874 /nfs/dbraw/zinc/96/98/74/431969874.db2.gz YXRDUQBLRAMMIU-GFCCVEGCSA-N 1 0 320.399 3.296 10 0 DGAERO CC[C@H](OC1CCCC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000112817594 281011369 /nfs/dbraw/zinc/01/13/69/281011369.db2.gz OGWNSGOHBRYSGU-AEFFLSMTSA-N 1 0 322.493 3.201 10 0 DGAERO CCc1csc([C@@H]2CCC[N@@H+](Cc3ccnn3CC)C2)n1 ZINC000127900665 431984090 /nfs/dbraw/zinc/98/40/90/431984090.db2.gz KCBHWRZVQQLHFX-CYBMUJFWSA-N 1 0 304.463 3.302 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C(C)C)cc2)on1 ZINC000055527392 431983619 /nfs/dbraw/zinc/98/36/19/431983619.db2.gz RSYYPQRFTITQKM-CYBMUJFWSA-N 1 0 301.390 3.396 10 0 DGAERO c1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccncc2)cc1 ZINC000128083704 431986975 /nfs/dbraw/zinc/98/69/75/431986975.db2.gz GAXZXNFEWAGJIF-ZCNNSNEGSA-N 1 0 307.441 3.387 10 0 DGAERO Cc1cccc(F)c1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000184453366 281222127 /nfs/dbraw/zinc/22/21/27/281222127.db2.gz WGQYFYURPVFNIF-CQSZACIVSA-N 1 0 305.397 3.226 10 0 DGAERO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)C1CC1 ZINC000128282984 431991029 /nfs/dbraw/zinc/99/10/29/431991029.db2.gz SZNWPOYTBSYQPE-QAPCUYQASA-N 1 0 310.445 3.085 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc4c3OC(C)(C)C4)C2)cn1 ZINC000128425166 431993521 /nfs/dbraw/zinc/99/35/21/431993521.db2.gz YNVHDRAOEXDGEI-OAHLLOKOSA-N 1 0 311.429 3.123 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000128341117 431992168 /nfs/dbraw/zinc/99/21/68/431992168.db2.gz ZRUGKNSYLZGBKQ-AWEZNQCLSA-N 1 0 309.479 3.134 10 0 DGAERO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000183205325 432269133 /nfs/dbraw/zinc/26/91/33/432269133.db2.gz MZKOBMOXKPOWEW-UKRRQHHQSA-N 1 0 321.490 3.087 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1Cl ZINC000248168632 432274471 /nfs/dbraw/zinc/27/44/71/432274471.db2.gz UHFWAHRSMDZRDT-XKQJLSEDSA-N 1 0 309.837 3.000 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(c2ccccc2)CC1 ZINC000173407415 432275633 /nfs/dbraw/zinc/27/56/33/432275633.db2.gz PPZDHVWMEQBLKL-ABHNRTSZSA-N 1 0 300.446 3.171 10 0 DGAERO CCCCSCCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000151795095 432277076 /nfs/dbraw/zinc/27/70/76/432277076.db2.gz QINBFPUUOVZVHT-INIZCTEOSA-N 1 0 312.523 3.387 10 0 DGAERO CCN(C(=O)CCSC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000248272410 432277626 /nfs/dbraw/zinc/27/76/26/432277626.db2.gz WPIIVWMJNVIXGM-DOTOQJQBSA-N 1 0 320.502 3.424 10 0 DGAERO Cn1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1-c1ccccc1 ZINC000173446018 432279021 /nfs/dbraw/zinc/27/90/21/432279021.db2.gz SNWCQBOVVCTMPZ-QGZVFWFLSA-N 1 0 323.440 3.002 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@H](CO)Cc2ccc(C)cc2)ccc1F ZINC000191594704 432280725 /nfs/dbraw/zinc/28/07/25/432280725.db2.gz SEOZNYKTPVDBRW-YOEHRIQHSA-N 1 0 317.404 3.397 10 0 DGAERO Fc1ccccc1-c1cnc(CN2CC[N@@H+]3CCCC[C@H]3C2)o1 ZINC000248358171 432281588 /nfs/dbraw/zinc/28/15/88/432281588.db2.gz QLPMUCAYMUNPRI-AWEZNQCLSA-N 1 0 315.392 3.151 10 0 DGAERO Cc1cc(C)cc(OCCC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000248372096 432282062 /nfs/dbraw/zinc/28/20/62/432282062.db2.gz ZMKJDDGGJKOYLG-ZWKOTPCHSA-N 1 0 304.478 3.487 10 0 DGAERO CCOCCN1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C[C@H]1C ZINC000248385452 432283092 /nfs/dbraw/zinc/28/30/92/432283092.db2.gz IOAIRCBSKYGTSK-IAGOWNOFSA-N 1 0 322.468 3.189 10 0 DGAERO Cc1ccn(-c2ccccc2C[NH2+][C@H]2CCCc3c2cnn3C)n1 ZINC000127578740 281425173 /nfs/dbraw/zinc/42/51/73/281425173.db2.gz UIBINVMRGLJOLY-KRWDZBQOSA-N 1 0 321.428 3.081 10 0 DGAERO C[N@@H+]1CCN(Cc2nc3cc(F)ccc3o2)C2(CCCCC2)C1 ZINC000151895975 432286242 /nfs/dbraw/zinc/28/62/42/432286242.db2.gz LAWPIHROWVJDGL-UHFFFAOYSA-N 1 0 317.408 3.417 10 0 DGAERO COC(=O)[C@@H](c1cccnc1)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000248444878 432292591 /nfs/dbraw/zinc/29/25/91/432292591.db2.gz GFDBYKAWOIKMIT-PKOBYXMFSA-N 1 0 324.424 3.402 10 0 DGAERO COCc1noc([C@@H](C)[N@@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)n1 ZINC000248460507 432294309 /nfs/dbraw/zinc/29/43/09/432294309.db2.gz OLSKHLQAMMMNMM-CABCVRRESA-N 1 0 315.417 3.383 10 0 DGAERO CN(CC[N@@H+]1CCC[C@H]1c1ccncc1)Cc1ccc(F)cc1 ZINC000248563843 432301685 /nfs/dbraw/zinc/30/16/85/432301685.db2.gz NZULIKZKPQAPEI-IBGZPJMESA-N 1 0 313.420 3.490 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000173832542 432302624 /nfs/dbraw/zinc/30/26/24/432302624.db2.gz CICAESIHROSPBW-ARFHVFGLSA-N 1 0 321.465 3.493 10 0 DGAERO CC(C)COc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000128422325 431993610 /nfs/dbraw/zinc/99/36/10/431993610.db2.gz RUMAUNHNOZEROI-QGZVFWFLSA-N 1 0 313.445 3.444 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)cn1 ZINC000128502690 431995315 /nfs/dbraw/zinc/99/53/15/431995315.db2.gz BZMYBRBYNCQNBV-GFCCVEGCSA-N 1 0 304.463 3.164 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccccc1OC(F)F)CC2 ZINC000128549352 431996465 /nfs/dbraw/zinc/99/64/65/431996465.db2.gz PYHIMCWYDHVLJY-PBHICJAKSA-N 1 0 311.372 3.415 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000102687673 431996680 /nfs/dbraw/zinc/99/66/80/431996680.db2.gz QMSVYFUZSNOCQM-UPJWGTAASA-N 1 0 310.388 3.120 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2)cc1F ZINC000102698606 431996753 /nfs/dbraw/zinc/99/67/53/431996753.db2.gz HSOGPOQYXUEBND-GFCCVEGCSA-N 1 0 302.349 3.124 10 0 DGAERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCc1ccc(Cl)cc1 ZINC000128618761 431998080 /nfs/dbraw/zinc/99/80/80/431998080.db2.gz KQSAIIIULXHOOK-OAHLLOKOSA-N 1 0 302.805 3.238 10 0 DGAERO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000102770786 431998102 /nfs/dbraw/zinc/99/81/02/431998102.db2.gz JRAKBYQNDZCROM-NJAFHUGGSA-N 1 0 318.461 3.143 10 0 DGAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCOc2ccccc21 ZINC000060553126 431999594 /nfs/dbraw/zinc/99/95/94/431999594.db2.gz GOYYVXIITKIUTG-UHFFFAOYSA-N 1 0 322.408 3.322 10 0 DGAERO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248029175 432263683 /nfs/dbraw/zinc/26/36/83/432263683.db2.gz QAIIZULDVQVWCK-YOEHRIQHSA-N 1 0 309.837 3.476 10 0 DGAERO CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248078904 432266359 /nfs/dbraw/zinc/26/63/59/432266359.db2.gz RNGVLSMMDJMWIR-MOPGFXCFSA-N 1 0 308.425 3.424 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000248810804 432319486 /nfs/dbraw/zinc/31/94/86/432319486.db2.gz COYPPIJUUBWPAI-MOPGFXCFSA-N 1 0 311.429 3.324 10 0 DGAERO Cc1ccc(CCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000174549267 432355143 /nfs/dbraw/zinc/35/51/43/432355143.db2.gz OABZTTWBZIFNEQ-LJQANCHMSA-N 1 0 314.473 3.262 10 0 DGAERO CCO[C@H]1C[C@@H](Nc2cc(C)nc(C3CC3)n2)C12CCOCC2 ZINC000184105909 432355192 /nfs/dbraw/zinc/35/51/92/432355192.db2.gz YBPBIJHCZLVXTR-CABCVRRESA-N 1 0 317.433 3.049 10 0 DGAERO O[C@@H](CC1CCCC1)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000248887508 432327997 /nfs/dbraw/zinc/32/79/97/432327997.db2.gz HLOAHEGQFNOCJC-WMZOPIPTSA-N 1 0 307.434 3.202 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc12 ZINC000152384271 432328535 /nfs/dbraw/zinc/32/85/35/432328535.db2.gz SJWBXXBADKRFAH-ZIAGYGMSSA-N 1 0 312.413 3.120 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c(OC)c1 ZINC000248913079 432329402 /nfs/dbraw/zinc/32/94/02/432329402.db2.gz VSABTSFFLJMGAR-RVSPLBMKSA-N 1 0 305.418 3.312 10 0 DGAERO Cc1ccc2cc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)[nH]c2c1 ZINC000174208394 432329485 /nfs/dbraw/zinc/32/94/85/432329485.db2.gz QSPUMQLWLBCGMT-MQVJKMGUSA-N 1 0 311.429 3.221 10 0 DGAERO COc1cccc([C@@H](C)[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183860183 432331351 /nfs/dbraw/zinc/33/13/51/432331351.db2.gz UIGVFOQVYLVNKY-MRXNPFEDSA-N 1 0 311.429 3.364 10 0 DGAERO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248973213 432331734 /nfs/dbraw/zinc/33/17/34/432331734.db2.gz PWXJQUAGSKJZCV-XYPHTWIQSA-N 1 0 315.417 3.019 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)c2ncc(C)s2)C12CCOCC2 ZINC000249041348 432334104 /nfs/dbraw/zinc/33/41/04/432334104.db2.gz VDMCHVIYIUPEDV-AEGPPILISA-N 1 0 324.490 3.119 10 0 DGAERO COC(=O)c1cc(F)ccc1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183950583 432337610 /nfs/dbraw/zinc/33/76/10/432337610.db2.gz SBKYMTYGIDMAGM-LLVKDONJSA-N 1 0 322.405 3.304 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000192192522 432342637 /nfs/dbraw/zinc/34/26/37/432342637.db2.gz OHFFOTWCTWIUOE-HOTGVXAUSA-N 1 0 323.502 3.377 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000249299811 432344686 /nfs/dbraw/zinc/34/46/86/432344686.db2.gz NSYJMBWALXHISP-MHORFTMASA-N 1 0 306.494 3.392 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000249376210 432345556 /nfs/dbraw/zinc/34/55/56/432345556.db2.gz YLQTYQTUJUPRDH-HRCADAONSA-N 1 0 304.434 3.215 10 0 DGAERO c1ccc(OCCCCC[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000249459848 432347915 /nfs/dbraw/zinc/34/79/15/432347915.db2.gz FEYFTEPSVJLMSF-QZTJIDSGSA-N 1 0 321.486 3.442 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(Cl)s1 ZINC000249460490 432348900 /nfs/dbraw/zinc/34/89/00/432348900.db2.gz ZGPNJEGQFCVHHQ-RYUDHWBXSA-N 1 0 312.866 3.029 10 0 DGAERO COc1c(Cl)cc(Cl)cc1C[NH2+]CC1(C)OCCCO1 ZINC000192248852 432350512 /nfs/dbraw/zinc/35/05/12/432350512.db2.gz MAMFHQOTQVDAOF-UHFFFAOYSA-N 1 0 320.216 3.245 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(N(CC)CC)s1 ZINC000184054606 432350631 /nfs/dbraw/zinc/35/06/31/432350631.db2.gz UPXRWCQLOUELEJ-LSDHHAIUSA-N 1 0 322.522 3.048 10 0 DGAERO Cc1nn(C)cc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000249529329 432351203 /nfs/dbraw/zinc/35/12/03/432351203.db2.gz AMEXNTRHASMXOC-KZNAEPCWSA-N 1 0 310.445 3.051 10 0 DGAERO Clc1cccc(-c2noc(CC[NH2+][C@H]3CCCSC3)n2)c1 ZINC000183606210 432308324 /nfs/dbraw/zinc/30/83/24/432308324.db2.gz PFDPGSMVZLIYOT-ZDUSSCGKSA-N 1 0 323.849 3.418 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)N1CCCCCC1 ZINC000152187442 432311552 /nfs/dbraw/zinc/31/15/52/432311552.db2.gz CJQRWXHMMOOZKZ-STQMWFEESA-N 1 0 310.388 3.407 10 0 DGAERO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)c3nc(C)cc(=O)[nH]3)C2)cc1 ZINC000248736286 432314515 /nfs/dbraw/zinc/31/45/15/432314515.db2.gz KXIZZASPXDRIIY-UKRRQHHQSA-N 1 0 313.401 3.050 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000174866668 432375279 /nfs/dbraw/zinc/37/52/79/432375279.db2.gz ZXRQWKZEHGOAON-IBGZPJMESA-N 1 0 304.478 3.456 10 0 DGAERO Cc1cc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)ccc1F ZINC000192457535 432375969 /nfs/dbraw/zinc/37/59/69/432375969.db2.gz LQDTWSWRGRTQAI-UHFFFAOYSA-N 1 0 316.401 3.337 10 0 DGAERO C[C@H](C[S@](C)=O)[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000184314347 432378632 /nfs/dbraw/zinc/37/86/32/432378632.db2.gz REIJTNAGXRUPER-PEBXRYMYSA-N 1 0 313.466 3.231 10 0 DGAERO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1 ZINC000174923368 432380061 /nfs/dbraw/zinc/38/00/61/432380061.db2.gz BLNGSEPLMPWNQA-FQEVSTJZSA-N 1 0 322.452 3.210 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000184357273 432383248 /nfs/dbraw/zinc/38/32/48/432383248.db2.gz FUTAANWTJKXYBK-YJBOKZPZSA-N 1 0 309.413 3.236 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(OC(F)F)cc1 ZINC000252729337 432385785 /nfs/dbraw/zinc/38/57/85/432385785.db2.gz GGKVOZFFMYOLSZ-MKXJDEKUSA-N 1 0 305.390 3.096 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc(C(C)(C)C)s1 ZINC000174972412 432385964 /nfs/dbraw/zinc/38/59/64/432385964.db2.gz ABBNWGLMBAFFKJ-CHWSQXEVSA-N 1 0 321.490 3.139 10 0 DGAERO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cc2ccccc2s1 ZINC000184380948 432385928 /nfs/dbraw/zinc/38/59/28/432385928.db2.gz PFEFNGYLULYLGH-GFCCVEGCSA-N 1 0 323.483 3.377 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc(Cl)ccc1F ZINC000252661428 432386568 /nfs/dbraw/zinc/38/65/68/432386568.db2.gz KDMVMVFSEPSNBO-AAEUAGOBSA-N 1 0 310.800 3.178 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccc(Br)cc1)[S@](C)=O ZINC000252730409 432386686 /nfs/dbraw/zinc/38/66/86/432386686.db2.gz LGXYZVKEIGJVQE-RLFDGXBXSA-N 1 0 318.280 3.257 10 0 DGAERO CC(C)CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C(C)(C)C ZINC000174997672 432386982 /nfs/dbraw/zinc/38/69/82/432386982.db2.gz QYUCSJIEZZVYKG-DLBZAZTESA-N 1 0 321.509 3.493 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccc(Cl)cc1 ZINC000174987604 432387672 /nfs/dbraw/zinc/38/76/72/432387672.db2.gz ONODNGUMQRHCSE-DLBZAZTESA-N 1 0 320.864 3.358 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sccc1SC ZINC000175006395 432388873 /nfs/dbraw/zinc/38/88/73/432388873.db2.gz BNQUXRNLCGGLEO-VXGBXAGGSA-N 1 0 310.488 3.169 10 0 DGAERO CCc1cc(N2CCc3c[nH+]ccc32)nc(-c2ccccn2)n1 ZINC000175004378 432389473 /nfs/dbraw/zinc/38/94/73/432389473.db2.gz ZZTSVMSVUXEVBH-UHFFFAOYSA-N 1 0 303.369 3.190 10 0 DGAERO CCc1ccccc1C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192594003 432390084 /nfs/dbraw/zinc/39/00/84/432390084.db2.gz CDVUAXCFPCSDTF-UHFFFAOYSA-N 1 0 312.438 3.452 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)cc2cccnc21 ZINC000175043458 432391668 /nfs/dbraw/zinc/39/16/68/432391668.db2.gz YZMCUZQZUWSVBU-ZWKOTPCHSA-N 1 0 313.420 3.433 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2ccccc2s1 ZINC000175038301 432391725 /nfs/dbraw/zinc/39/17/25/432391725.db2.gz CIXJXLYDXSVVQQ-ZIAGYGMSSA-N 1 0 301.459 3.355 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(C(C)(C)C)n1 ZINC000175054129 432393377 /nfs/dbraw/zinc/39/33/77/432393377.db2.gz VPXQMZVDCCXOSA-LSDHHAIUSA-N 1 0 307.507 3.499 10 0 DGAERO CC(C)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000184472466 432395269 /nfs/dbraw/zinc/39/52/69/432395269.db2.gz MIHRVFRLPIIXQF-CQSZACIVSA-N 1 0 305.397 3.261 10 0 DGAERO CO[C@H](C)c1nc(CN2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000175096919 432397190 /nfs/dbraw/zinc/39/71/90/432397190.db2.gz FXJRMXWKHKCPRC-CQSZACIVSA-N 1 0 323.506 3.158 10 0 DGAERO CCC[C@@H](C(=O)N(C)Cc1ccc(F)cc1Cl)[NH+](C)C ZINC000153428070 432407557 /nfs/dbraw/zinc/40/75/57/432407557.db2.gz BQMZYNILIDKBFM-AWEZNQCLSA-N 1 0 300.805 3.168 10 0 DGAERO CC[C@@H]1C[N@H+](CCCSCC(C)C)CCN1CC(F)F ZINC000153333867 432400935 /nfs/dbraw/zinc/40/09/35/432400935.db2.gz OSKHMACIZXKOQO-CQSZACIVSA-N 1 0 308.482 3.427 10 0 DGAERO CC[C@H]1C[N@H+](CCCSCC(C)C)CCN1CC(F)F ZINC000153333985 432401150 /nfs/dbraw/zinc/40/11/50/432401150.db2.gz OSKHMACIZXKOQO-AWEZNQCLSA-N 1 0 308.482 3.427 10 0 DGAERO C[C@](O)(CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000249783962 432357351 /nfs/dbraw/zinc/35/73/51/432357351.db2.gz DFXRURDNZPDTPX-MTNOOBJLSA-N 1 0 303.446 3.077 10 0 DGAERO C[C@](O)(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 ZINC000249789858 432357497 /nfs/dbraw/zinc/35/74/97/432357497.db2.gz FBWQHELXIXTROP-YRXWBPOGSA-N 1 0 315.457 3.222 10 0 DGAERO FC(F)SCc1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)o1 ZINC000249989449 432362497 /nfs/dbraw/zinc/36/24/97/432362497.db2.gz ZREXMNJMDJLLQT-XQQFMLRXSA-N 1 0 303.374 3.393 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000174657475 432363533 /nfs/dbraw/zinc/36/35/33/432363533.db2.gz NAKDKFIULHVVRC-UHFFFAOYSA-N 1 0 315.461 3.257 10 0 DGAERO CCC[C@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000250123134 432364044 /nfs/dbraw/zinc/36/40/44/432364044.db2.gz JBZXSJRPWNVWEY-ROUUACIJSA-N 1 0 300.446 3.267 10 0 DGAERO Clc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000152890777 432364951 /nfs/dbraw/zinc/36/49/51/432364951.db2.gz DEPGJEZKSNJSIH-WBMJQRKESA-N 1 0 323.820 3.207 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192364312 432365063 /nfs/dbraw/zinc/36/50/63/432365063.db2.gz WITUMKOFNBWZLD-PBHICJAKSA-N 1 0 316.445 3.150 10 0 DGAERO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192367955 432365132 /nfs/dbraw/zinc/36/51/32/432365132.db2.gz MDNYYNUYAFDGKB-PBHICJAKSA-N 1 0 318.461 3.252 10 0 DGAERO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250425207 432367223 /nfs/dbraw/zinc/36/72/23/432367223.db2.gz FRZJOAVURNWPTH-YESZJQIVSA-N 1 0 318.848 3.140 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1cccc(Cl)c1 ZINC000250895164 432368250 /nfs/dbraw/zinc/36/82/50/432368250.db2.gz IQJTVQGVPBSDAI-JMGFVUJMSA-N 1 0 306.837 3.438 10 0 DGAERO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1cccc(F)c1 ZINC000152936685 432369765 /nfs/dbraw/zinc/36/97/65/432369765.db2.gz ZIGJUNKAFWEARZ-QGZVFWFLSA-N 1 0 320.408 3.188 10 0 DGAERO CCC[C@H](C(=O)N[C@H](C)c1cccc(N2CCCC2)c1)[NH+](C)C ZINC000153662103 432430032 /nfs/dbraw/zinc/43/00/32/432430032.db2.gz KVRUUZQKSJPOLN-CRAIPNDOSA-N 1 0 317.477 3.194 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2Oc2ccccc2)C1 ZINC000153673653 432431914 /nfs/dbraw/zinc/43/19/14/432431914.db2.gz STFQHIRROBNZLU-ZBFHGGJFSA-N 1 0 310.397 3.223 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000175420171 432433844 /nfs/dbraw/zinc/43/38/44/432433844.db2.gz MFMKRCIHNCOATI-UHFFFAOYSA-N 1 0 307.482 3.225 10 0 DGAERO CCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261623959 432435938 /nfs/dbraw/zinc/43/59/38/432435938.db2.gz GTRWMBJCVVNPNA-XYPHTWIQSA-N 1 0 302.418 3.335 10 0 DGAERO [NH3+]C1(c2noc(CCOc3ccccc3Cl)n2)CCCC1 ZINC000261629264 432435943 /nfs/dbraw/zinc/43/59/43/432435943.db2.gz CLTDZPXTMGPUOX-UHFFFAOYSA-N 1 0 307.781 3.073 10 0 DGAERO Nc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000261630069 432436786 /nfs/dbraw/zinc/43/67/86/432436786.db2.gz DMPHWHROEOUVRK-GFCCVEGCSA-N 1 0 324.350 3.390 10 0 DGAERO Fc1cc(CN2CC[NH2+]C[C@H]2c2cccnc2)ccc1Cl ZINC000261647788 432436812 /nfs/dbraw/zinc/43/68/12/432436812.db2.gz HBOZIYXJWAIFKI-INIZCTEOSA-N 1 0 305.784 3.021 10 0 DGAERO C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccnn1C ZINC000192985662 432437027 /nfs/dbraw/zinc/43/70/27/432437027.db2.gz AEEVRRYCBQQFMA-LLVKDONJSA-N 1 0 313.323 3.169 10 0 DGAERO CSCc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000184815141 432437071 /nfs/dbraw/zinc/43/70/71/432437071.db2.gz OSAVCECZJFWIFS-DZGCQCFKSA-N 1 0 319.474 3.250 10 0 DGAERO CSCc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000184814309 432437124 /nfs/dbraw/zinc/43/71/24/432437124.db2.gz VELCRVODTSZZND-HIFRSBDPSA-N 1 0 321.490 3.496 10 0 DGAERO CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCC[N@H+](C)C1 ZINC000153726682 432437829 /nfs/dbraw/zinc/43/78/29/432437829.db2.gz POASJZADBLUQIA-CYBMUJFWSA-N 1 0 306.793 3.252 10 0 DGAERO C[C@@H]1C[C@H](CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC(C)(C)C1 ZINC000261663976 432439441 /nfs/dbraw/zinc/43/94/41/432439441.db2.gz CHUJYMNRXAJWDO-VQHPVUNQSA-N 1 0 306.494 3.297 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000184857291 432439834 /nfs/dbraw/zinc/43/98/34/432439834.db2.gz YNGOLMKDMUSKRX-OAHLLOKOSA-N 1 0 318.486 3.112 10 0 DGAERO [NH3+]Cc1ccc(-c2noc(C[C@H]3CCOc4ccccc43)n2)cc1 ZINC000261686274 432440628 /nfs/dbraw/zinc/44/06/28/432440628.db2.gz ARLAFBDHRAVLSR-OAHLLOKOSA-N 1 0 321.380 3.304 10 0 DGAERO Cc1sc2nc(C)nc(N[C@H](C)[C@@H]3CCC[NH2+]C3)c2c1C ZINC000261692476 432442667 /nfs/dbraw/zinc/44/26/67/432442667.db2.gz NMOBZYPTXVLWNM-ZWNOBZJWSA-N 1 0 304.463 3.417 10 0 DGAERO CCSCC[C@H](C)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185037315 432459486 /nfs/dbraw/zinc/45/94/86/432459486.db2.gz MZEPBPADRKOJQY-LBPRGKRZSA-N 1 0 308.451 3.039 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1sccc1Cl)CC2 ZINC000193073142 432444939 /nfs/dbraw/zinc/44/49/39/432444939.db2.gz DDUIHAFTJWRMIZ-JTQLQIEISA-N 1 0 310.854 3.221 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1cc(Cl)cs1)CC2 ZINC000193073205 432445921 /nfs/dbraw/zinc/44/59/21/432445921.db2.gz QBIQXBHLQLZWPR-NSHDSACASA-N 1 0 310.854 3.221 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000184926966 432446418 /nfs/dbraw/zinc/44/64/18/432446418.db2.gz GVRLUIGLQJCNOA-BZSNNMDCSA-N 1 0 300.446 3.232 10 0 DGAERO C[C@H]([NH2+]CCO[C@H]1CCCCO1)c1ccccc1-n1cccn1 ZINC000193088919 432447127 /nfs/dbraw/zinc/44/71/27/432447127.db2.gz GQJRQAKPEADALC-YJBOKZPZSA-N 1 0 315.417 3.066 10 0 DGAERO FC(F)(F)c1cnc(CN2CC[NH2+]CC23CCCCC3)s1 ZINC000261768587 432448114 /nfs/dbraw/zinc/44/81/14/432448114.db2.gz DOCKEEMIEHIAMN-UHFFFAOYSA-N 1 0 319.396 3.270 10 0 DGAERO Cc1cc(C(=O)N(CC[NH3+])CCc2ccccc2)ccc1Cl ZINC000261782866 432450758 /nfs/dbraw/zinc/45/07/58/432450758.db2.gz SPKSNDLASYDLOI-UHFFFAOYSA-N 1 0 316.832 3.292 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCO[C@@H]1CCCCO1 ZINC000193122375 432452031 /nfs/dbraw/zinc/45/20/31/432452031.db2.gz PBXHLZRKYQCCRQ-XJKSGUPXSA-N 1 0 309.454 3.140 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]3C3CCCC3)on2)cn1 ZINC000184986342 432452214 /nfs/dbraw/zinc/45/22/14/432452214.db2.gz CSMROKUQODXPLK-KRWDZBQOSA-N 1 0 300.406 3.230 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000184985412 432453222 /nfs/dbraw/zinc/45/32/22/432453222.db2.gz CUSSNDOHSYUQQP-MSOLQXFVSA-N 1 0 300.446 3.191 10 0 DGAERO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cc(-c2cnn(C)c2)no1)C1CC1 ZINC000184997957 432454152 /nfs/dbraw/zinc/45/41/52/432454152.db2.gz YPNBIEDXALSNRF-CHWSQXEVSA-N 1 0 302.422 3.474 10 0 DGAERO c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261839519 432454345 /nfs/dbraw/zinc/45/43/45/432454345.db2.gz AGMVJKNWNBLLJN-ZACQAIPSSA-N 1 0 316.470 3.148 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)cc2Cl)cn1 ZINC000184999919 432454635 /nfs/dbraw/zinc/45/46/35/432454635.db2.gz MOBNAIVLDWXEPM-CVEARBPZSA-N 1 0 323.799 3.083 10 0 DGAERO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185014078 432455342 /nfs/dbraw/zinc/45/53/42/432455342.db2.gz RXMQHGWVUHBEMK-HIFRSBDPSA-N 1 0 320.462 3.181 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000175654485 432455979 /nfs/dbraw/zinc/45/59/79/432455979.db2.gz XXPGMVRRBNSIKO-AWEZNQCLSA-N 1 0 314.433 3.247 10 0 DGAERO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185005502 432456284 /nfs/dbraw/zinc/45/62/84/432456284.db2.gz IAXRVKQGXYAMDS-HOCLYGCPSA-N 1 0 322.412 3.453 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)C1CCCC1 ZINC000184632967 432414892 /nfs/dbraw/zinc/41/48/92/432414892.db2.gz CAUUSHQWBLTCBS-KUHUBIRLSA-N 1 0 300.446 3.422 10 0 DGAERO CCC[C@H](C)[NH+]1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000192847718 432420648 /nfs/dbraw/zinc/42/06/48/432420648.db2.gz BBINPNKFIBKHPW-HNNXBMFYSA-N 1 0 312.498 3.303 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ncc(-c2ccccc2F)o1 ZINC000175330785 432424765 /nfs/dbraw/zinc/42/47/65/432424765.db2.gz MRBMTWOPEPWPLV-CQSZACIVSA-N 1 0 317.408 3.397 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000257352443 432426295 /nfs/dbraw/zinc/42/62/95/432426295.db2.gz LIZNYKMBCGQLTG-ZIAGYGMSSA-N 1 0 307.438 3.265 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000175885688 432474248 /nfs/dbraw/zinc/47/42/48/432474248.db2.gz NDOIWLSJMWKTMU-OLZOCXBDSA-N 1 0 300.406 3.114 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262122217 432475545 /nfs/dbraw/zinc/47/55/45/432475545.db2.gz XJEJXKRMXVBSJU-YJBOKZPZSA-N 1 0 321.896 3.018 10 0 DGAERO Cc1c(-c2nc(-c3ccc(C[NH3+])cc3)no2)cnn1C(C)(C)C ZINC000262123811 432475917 /nfs/dbraw/zinc/47/59/17/432475917.db2.gz XNPJPIUOWAEZIC-UHFFFAOYSA-N 1 0 311.389 3.122 10 0 DGAERO Cc1ccc(NC(=O)c2csc(C(F)(F)F)n2)c(C)n1 ZINC000193498470 432478473 /nfs/dbraw/zinc/47/84/73/432478473.db2.gz VDIMCARTLDPXPF-UHFFFAOYSA-N 1 0 301.293 3.426 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3csc(-c4ccccc4)n3)C[C@@H]21 ZINC000262289266 432480050 /nfs/dbraw/zinc/48/00/50/432480050.db2.gz NAHWMJVZFHGNAJ-HYVNUMGLSA-N 1 0 313.470 3.369 10 0 DGAERO CCC(C)(C)c1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262318992 432480813 /nfs/dbraw/zinc/48/08/13/432480813.db2.gz CABSVICXOFZZGN-HOCLYGCPSA-N 1 0 302.462 3.379 10 0 DGAERO CC(C)C[C@H](C)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000185244623 432482162 /nfs/dbraw/zinc/48/21/62/432482162.db2.gz ORIYQRNNLIFUPS-INIZCTEOSA-N 1 0 317.477 3.449 10 0 DGAERO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)C1(C)C ZINC000185247442 432482761 /nfs/dbraw/zinc/48/27/61/432482761.db2.gz STGGSWAFPUZNHW-NWDGAFQWSA-N 1 0 319.371 3.121 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCC2=CCCCCC2)CC[N@@H+]1C ZINC000185265751 432483703 /nfs/dbraw/zinc/48/37/03/432483703.db2.gz KAIVUAPOJZPKFI-WBVHZDCISA-N 1 0 307.482 3.391 10 0 DGAERO CCC(C)(C)NC(=O)CSCC[N@H+](C)Cc1ccccc1 ZINC000193617143 432485127 /nfs/dbraw/zinc/48/51/27/432485127.db2.gz ZXUUYUQEBQEYOL-UHFFFAOYSA-N 1 0 308.491 3.156 10 0 DGAERO CC1CCC(N(C[C@H]2CCCO2)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261864411 281738578 /nfs/dbraw/zinc/73/85/78/281738578.db2.gz XGHZQHRDIPNVLU-PCNFGOCFSA-N 1 0 322.493 3.090 10 0 DGAERO CCSc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262385773 432485343 /nfs/dbraw/zinc/48/53/43/432485343.db2.gz MAOXWIRFWRCNMW-YDHLFZDLSA-N 1 0 306.475 3.364 10 0 DGAERO CC(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000185279511 432486299 /nfs/dbraw/zinc/48/62/99/432486299.db2.gz MJIPTLRNUWJFJC-CQSZACIVSA-N 1 0 319.449 3.198 10 0 DGAERO Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccccc2C)o1 ZINC000193643799 432488107 /nfs/dbraw/zinc/48/81/07/432488107.db2.gz WXYLYODTRXBMQL-HNNXBMFYSA-N 1 0 300.402 3.206 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)ccc2Cl)CC[N@@H+]1C ZINC000176064073 432489688 /nfs/dbraw/zinc/48/96/88/432489688.db2.gz QZXLTVCWCNEMAZ-JQWIXIFHSA-N 1 0 313.804 3.426 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(F)ccc2Cl)CC[N@@H+]1C ZINC000176064042 432490003 /nfs/dbraw/zinc/49/00/03/432490003.db2.gz QZXLTVCWCNEMAZ-CMPLNLGQSA-N 1 0 313.804 3.426 10 0 DGAERO CNc1ncnc2c1cnn2CCc1cc(Cl)cc(Cl)c1 ZINC000193702799 432491287 /nfs/dbraw/zinc/49/12/87/432491287.db2.gz DMHZGZDUZYFTOX-UHFFFAOYSA-N 1 0 322.199 3.418 10 0 DGAERO C=Cn1cc(CN(Cc2cc(OC)ccc2OC)C2CC2)cn1 ZINC000193692057 432491323 /nfs/dbraw/zinc/49/13/23/432491323.db2.gz KAKVVALLWUCPPI-UHFFFAOYSA-N 1 0 313.401 3.165 10 0 DGAERO O=C(CN1CCC[C@H](C(F)(F)F)C1)NCCC1CCCCC1 ZINC000193700741 432492079 /nfs/dbraw/zinc/49/20/79/432492079.db2.gz HXFDONRCVOSTEA-AWEZNQCLSA-N 1 0 320.399 3.347 10 0 DGAERO COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1C ZINC000193694311 432492192 /nfs/dbraw/zinc/49/21/92/432492192.db2.gz CULDUQBJDWHRIK-UHFFFAOYSA-N 1 0 302.462 3.311 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H](CO)CC(C)C ZINC000185345072 432492507 /nfs/dbraw/zinc/49/25/07/432492507.db2.gz UEPGKJFZXGNYSN-QGZVFWFLSA-N 1 0 320.477 3.089 10 0 DGAERO Cc1sc2nc(C)nc(N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2c1C ZINC000262578523 432492802 /nfs/dbraw/zinc/49/28/02/432492802.db2.gz YOWXGPJFNFDBEX-MJBXVCDLSA-N 1 0 316.474 3.180 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262614121 432494076 /nfs/dbraw/zinc/49/40/76/432494076.db2.gz ZXPHEAJMGIUJRG-OKZBNKHCSA-N 1 0 300.446 3.122 10 0 DGAERO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000185352472 432494259 /nfs/dbraw/zinc/49/42/59/432494259.db2.gz SZXJNMPJAZEALU-UONOGXRCSA-N 1 0 317.401 3.070 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262642357 432495494 /nfs/dbraw/zinc/49/54/94/432495494.db2.gz JFGOUTMLHBAWDH-SJCJKPOMSA-N 1 0 316.376 3.020 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000262690395 432497265 /nfs/dbraw/zinc/49/72/65/432497265.db2.gz ABIBBESUJGQBFD-OFERSUALSA-N 1 0 324.490 3.046 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000262723489 432498794 /nfs/dbraw/zinc/49/87/94/432498794.db2.gz GLBWRVIDUVRXST-SWLSCSKDSA-N 1 0 308.853 3.023 10 0 DGAERO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(C)n1C1CCCCC1 ZINC000262763756 432501297 /nfs/dbraw/zinc/50/12/97/432501297.db2.gz KVPUXJQFXMDJDS-ACJLOTCBSA-N 1 0 317.477 3.338 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000193822199 432501559 /nfs/dbraw/zinc/50/15/59/432501559.db2.gz YYPJDQQCSUIZMT-CYBMUJFWSA-N 1 0 323.868 3.001 10 0 DGAERO CC(C)CCCCCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262843595 432504963 /nfs/dbraw/zinc/50/49/63/432504963.db2.gz UHPYGPSBYXWSBC-INIZCTEOSA-N 1 0 320.481 3.144 10 0 DGAERO CC[C@@H](c1ccc(F)cc1F)N1CCN(c2cccnn2)CC1 ZINC000154571325 432507342 /nfs/dbraw/zinc/50/73/42/432507342.db2.gz MJQLYJOINGSJAR-INIZCTEOSA-N 1 0 318.371 3.028 10 0 DGAERO CCOCCN1CC[N@H+](CC[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000193900265 432508946 /nfs/dbraw/zinc/50/89/46/432508946.db2.gz MMQMYILMOHTOPT-MSOLQXFVSA-N 1 0 304.478 3.223 10 0 DGAERO C[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)c1cccnc1 ZINC000263001460 432513187 /nfs/dbraw/zinc/51/31/87/432513187.db2.gz PWGMUTWLJVOJAS-JTQLQIEISA-N 1 0 323.318 3.301 10 0 DGAERO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000176315846 432510245 /nfs/dbraw/zinc/51/02/45/432510245.db2.gz VOUAJIWHOCXOKI-HIFRSBDPSA-N 1 0 324.852 3.098 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000185570053 432511455 /nfs/dbraw/zinc/51/14/55/432511455.db2.gz UHSAXCHWFWUNGV-FHWLQOOXSA-N 1 0 314.473 3.259 10 0 DGAERO COc1ccc2c(c1)CC[N@@H+](Cc1cccc3c1NCC3)CC2 ZINC000261912946 432460334 /nfs/dbraw/zinc/46/03/34/432460334.db2.gz JMZMQWRABSRZJZ-UHFFFAOYSA-N 1 0 308.425 3.264 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCc1ccc(F)c(F)c1 ZINC000154008964 432463008 /nfs/dbraw/zinc/46/30/08/432463008.db2.gz ZFGHUQONIRWBLP-OAHLLOKOSA-N 1 0 324.415 3.278 10 0 DGAERO COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1OC ZINC000261977147 432465851 /nfs/dbraw/zinc/46/58/51/432465851.db2.gz QTQONUBVPLYGEJ-PBWFPOADSA-N 1 0 324.852 3.072 10 0 DGAERO C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C(C)(C)C[NH+](C)C ZINC000175805513 432467049 /nfs/dbraw/zinc/46/70/49/432467049.db2.gz JIRHLDDHTFBZAO-YUTCNCBUSA-N 1 0 324.415 3.161 10 0 DGAERO CCCCOC[C@@H](O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000193364612 432467802 /nfs/dbraw/zinc/46/78/02/432467802.db2.gz IYOXSVYOINJCCP-SFHVURJKSA-N 1 0 307.409 3.092 10 0 DGAERO c1ccc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)ccc2c1 ZINC000261995611 432467879 /nfs/dbraw/zinc/46/78/79/432467879.db2.gz UAOSPGKHRKNMHH-ZCNNSNEGSA-N 1 0 310.441 3.087 10 0 DGAERO CCc1onc(C)c1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000262014381 432468688 /nfs/dbraw/zinc/46/86/88/432468688.db2.gz VLVJKRUQGWSXEV-HNNXBMFYSA-N 1 0 315.417 3.099 10 0 DGAERO C[C@]1(C(N)=O)CCCC[N@@H+]1CCCSCc1ccccc1 ZINC000185974191 432550505 /nfs/dbraw/zinc/55/05/05/432550505.db2.gz FEYYEXHQPPENDT-QGZVFWFLSA-N 1 0 306.475 3.040 10 0 DGAERO C[C@@H]1CCc2c(C(=O)N3CCC[N@@H+](C4CC4)CC3)csc2C1 ZINC000194503139 432556191 /nfs/dbraw/zinc/55/61/91/432556191.db2.gz JPTVBBATLXHNKR-CYBMUJFWSA-N 1 0 318.486 3.183 10 0 DGAERO CC[C@H](CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000155564159 432560739 /nfs/dbraw/zinc/56/07/39/432560739.db2.gz KLRVPBBTGHHBNE-JZXOWHBKSA-N 1 0 302.462 3.415 10 0 DGAERO COc1c(C)cc(CN(C)C(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1C ZINC000263098519 432519829 /nfs/dbraw/zinc/51/98/29/432519829.db2.gz ZEPSIGMSOMGRSQ-APWZRJJASA-N 1 0 318.461 3.178 10 0 DGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccnc1N(C)C ZINC000154797132 432521122 /nfs/dbraw/zinc/52/11/22/432521122.db2.gz LXZBIWIYJNMBEO-SFHVURJKSA-N 1 0 311.429 3.323 10 0 DGAERO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000263138382 432522555 /nfs/dbraw/zinc/52/25/55/432522555.db2.gz DKZLMQLTHQHFHR-UHFFFAOYSA-N 1 0 320.477 3.017 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)CSc2ccccc2Cl)C1 ZINC000194625174 432564424 /nfs/dbraw/zinc/56/44/24/432564424.db2.gz ZGGXUKDZCDUNGZ-LBPRGKRZSA-N 1 0 312.866 3.033 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc3ccn(C)c3c2)[C@@H](C)C1 ZINC000176479373 432526667 /nfs/dbraw/zinc/52/66/67/432526667.db2.gz SZFZUXHPYPRZBF-BBRMVZONSA-N 1 0 314.433 3.029 10 0 DGAERO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2ccccc2)c1 ZINC000194159669 432528872 /nfs/dbraw/zinc/52/88/72/432528872.db2.gz YMJBMUVDCIWJFP-UHFFFAOYSA-N 1 0 310.441 3.387 10 0 DGAERO CCCOc1ccc(Cl)cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176520350 432530884 /nfs/dbraw/zinc/53/08/84/432530884.db2.gz JPXAVDNVVBCLAG-AWEZNQCLSA-N 1 0 322.836 3.049 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000176538854 432532844 /nfs/dbraw/zinc/53/28/44/432532844.db2.gz NEEJVIOJPYYFMY-UKINESCASA-N 1 0 304.409 3.172 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCc1ccc2ccccc2c1 ZINC000155135887 432540969 /nfs/dbraw/zinc/54/09/69/432540969.db2.gz XBCJULDZGSMITJ-HZPDHXFCSA-N 1 0 310.441 3.323 10 0 DGAERO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194322963 432541869 /nfs/dbraw/zinc/54/18/69/432541869.db2.gz HCBDNTVQUDLRAQ-UHFFFAOYSA-N 1 0 302.422 3.219 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000194351122 432543426 /nfs/dbraw/zinc/54/34/26/432543426.db2.gz IKGXLXZEKXIJLF-WFASDCNBSA-N 1 0 300.406 3.114 10 0 DGAERO O=C(Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177269623 432605149 /nfs/dbraw/zinc/60/51/49/432605149.db2.gz QBRAGWHDMYIVEL-UHFFFAOYSA-N 1 0 300.446 3.142 10 0 DGAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177296360 432608649 /nfs/dbraw/zinc/60/86/49/432608649.db2.gz AJXSVHGHVYDTEQ-ZIAGYGMSSA-N 1 0 309.417 3.326 10 0 DGAERO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)cc1 ZINC000156891902 432609940 /nfs/dbraw/zinc/60/99/40/432609940.db2.gz QFGLIYIHVXMTTQ-MRXNPFEDSA-N 1 0 310.441 3.418 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000186581829 432611069 /nfs/dbraw/zinc/61/10/69/432611069.db2.gz UXCDQUILDTUCEC-KRWDZBQOSA-N 1 0 317.477 3.293 10 0 DGAERO CCCCOC[C@H](O)C[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000195214063 432612943 /nfs/dbraw/zinc/61/29/43/432612943.db2.gz UEMSDEWVEPSFJN-CZUORRHYSA-N 1 0 301.377 3.183 10 0 DGAERO COC(=O)c1ccc(C[NH+]2CCC(OCC(C)C)CC2)s1 ZINC000176969189 432570348 /nfs/dbraw/zinc/57/03/48/432570348.db2.gz XWFPGIBYBIUIMY-UHFFFAOYSA-N 1 0 311.447 3.172 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccc(Cl)s1 ZINC000176969034 432570761 /nfs/dbraw/zinc/57/07/61/432570761.db2.gz GXUFTWAVKOISPX-GFCCVEGCSA-N 1 0 314.882 3.277 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Oc2ccccc2)c1 ZINC000194736603 432572463 /nfs/dbraw/zinc/57/24/63/432572463.db2.gz FZTZHXVNIVYRLL-INIZCTEOSA-N 1 0 310.397 3.303 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCCCCc1cccs1 ZINC000155762172 432573641 /nfs/dbraw/zinc/57/36/41/432573641.db2.gz MOPOTRQUIORBOU-HUUCEWRRSA-N 1 0 308.491 3.402 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1oc2ccccc2c1C ZINC000177021327 432575382 /nfs/dbraw/zinc/57/53/82/432575382.db2.gz IXFUNAMPPDVMTM-CQSZACIVSA-N 1 0 300.402 3.298 10 0 DGAERO CCC[C@@H](C(=O)N1CCC[C@H](c2nc(CC)cs2)C1)[NH+](C)C ZINC000155904892 432580364 /nfs/dbraw/zinc/58/03/64/432580364.db2.gz CORXLLYALBXQCK-ZFWWWQNUSA-N 1 0 323.506 3.142 10 0 DGAERO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1 ZINC000186349408 432584800 /nfs/dbraw/zinc/58/48/00/432584800.db2.gz CGROKGWPZHUIRG-SJORKVTESA-N 1 0 304.434 3.117 10 0 DGAERO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000186349373 432585210 /nfs/dbraw/zinc/58/52/10/432585210.db2.gz CGROKGWPZHUIRG-IAGOWNOFSA-N 1 0 304.434 3.117 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(Cc2ccccc2)CC1 ZINC000177116847 432587933 /nfs/dbraw/zinc/58/79/33/432587933.db2.gz PJZUILZSHZHYBY-QZTJIDSGSA-N 1 0 312.457 3.095 10 0 DGAERO Cc1ccccc1C(C)(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000177142338 432590593 /nfs/dbraw/zinc/59/05/93/432590593.db2.gz DJXSIAOLGSTYFI-RDJZCZTQSA-N 1 0 302.462 3.118 10 0 DGAERO Cn1c(=O)sc2cc(C[N@H+](C)CCc3cccs3)ccc21 ZINC000195032941 432595990 /nfs/dbraw/zinc/59/59/90/432595990.db2.gz BYQXGHIMISQXAL-UHFFFAOYSA-N 1 0 318.467 3.336 10 0 DGAERO COc1cccc([C@H](C)[NH2+]CC[C@@H]2c3ccccc3NC2=O)c1 ZINC000177187220 432596071 /nfs/dbraw/zinc/59/60/71/432596071.db2.gz FSOBQNDBVLNSDX-SUMWQHHRSA-N 1 0 310.397 3.472 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000156405270 432596545 /nfs/dbraw/zinc/59/65/45/432596545.db2.gz CHMDJYNCSWGRAI-WGPHAGCXSA-N 1 0 300.446 3.265 10 0 DGAERO C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccccc1-n1cccn1 ZINC000177217548 432598697 /nfs/dbraw/zinc/59/86/97/432598697.db2.gz VEBOIYXWPVAADE-KRWDZBQOSA-N 1 0 312.461 3.255 10 0 DGAERO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c1 ZINC000177240718 432601543 /nfs/dbraw/zinc/60/15/43/432601543.db2.gz NBQFYXJHTWYSDL-SUMWQHHRSA-N 1 0 301.386 3.088 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCCCCCSC)C12CCOCC2 ZINC000186501428 432603195 /nfs/dbraw/zinc/60/31/95/432603195.db2.gz LCPLQGCKLMKCOB-HOTGVXAUSA-N 1 0 315.523 3.474 10 0 DGAERO CSCCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157466151 432621149 /nfs/dbraw/zinc/62/11/49/432621149.db2.gz GXHDDPDGDVRBHC-HNNXBMFYSA-N 1 0 312.523 3.243 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)NCCC(C)(C)C ZINC000157532070 432622244 /nfs/dbraw/zinc/62/22/44/432622244.db2.gz NUTQDALZTWKGPE-ZDUSSCGKSA-N 1 0 322.497 3.150 10 0 DGAERO C[C@H]1C[C@H](NC(=O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000177451052 432625661 /nfs/dbraw/zinc/62/56/61/432625661.db2.gz LFUACXCKMIEFIC-LPHOPBHVSA-N 1 0 308.425 3.008 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NCc2cccc(Cl)c2)CC1 ZINC000157642707 432626939 /nfs/dbraw/zinc/62/69/39/432626939.db2.gz MSNCREJECANHBA-UHFFFAOYSA-N 1 0 323.868 3.261 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)NCC2(C)CCC2)c1 ZINC000177466150 432627100 /nfs/dbraw/zinc/62/71/00/432627100.db2.gz HTUFZROJRCHJBI-UHFFFAOYSA-N 1 0 303.450 3.128 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2ccc(C)cc2)CC1 ZINC000157660516 432627504 /nfs/dbraw/zinc/62/75/04/432627504.db2.gz RMFJTUODCDLJHR-UHFFFAOYSA-N 1 0 317.477 3.258 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)s1 ZINC000157730763 432628625 /nfs/dbraw/zinc/62/86/25/432628625.db2.gz ACWWGAVIZCSUDR-UHFFFAOYSA-N 1 0 312.442 3.312 10 0 DGAERO CCc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)cc1 ZINC000177503340 432630842 /nfs/dbraw/zinc/63/08/42/432630842.db2.gz MENKBXPCQBHYRG-DLBZAZTESA-N 1 0 301.434 3.340 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1F ZINC000158503090 432647996 /nfs/dbraw/zinc/64/79/96/432647996.db2.gz FEOCBQQBSQKZKG-CYBMUJFWSA-N 1 0 307.413 3.194 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)cc(F)c1 ZINC000177516934 432633818 /nfs/dbraw/zinc/63/38/18/432633818.db2.gz BOZHBUYTCYNAKE-LSDHHAIUSA-N 1 0 309.360 3.055 10 0 DGAERO CCOc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)c1 ZINC000177534825 432634432 /nfs/dbraw/zinc/63/44/32/432634432.db2.gz QFPNCEDDNBWVLN-HZPDHXFCSA-N 1 0 317.433 3.176 10 0 DGAERO Cc1ccccc1SCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177551470 432636855 /nfs/dbraw/zinc/63/68/55/432636855.db2.gz DJNFKJUGVUVVRB-LSDHHAIUSA-N 1 0 306.475 3.076 10 0 DGAERO COc1ccc(C(C)(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000158289962 432641368 /nfs/dbraw/zinc/64/13/68/432641368.db2.gz ZWRYLUKDVFGDDH-MRXNPFEDSA-N 1 0 320.477 3.065 10 0 DGAERO c1ccc(CCCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000187096191 432644115 /nfs/dbraw/zinc/64/41/15/432644115.db2.gz RXTJYMBCOAUWJM-HXUWFJFHSA-N 1 0 316.489 3.196 10 0 DGAERO COC[C@H](C)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000187077173 432644289 /nfs/dbraw/zinc/64/42/89/432644289.db2.gz PPHOQLIRGWQKBS-OAHLLOKOSA-N 1 0 302.418 3.489 10 0 DGAERO Cc1cc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1Cl ZINC000187059320 432644703 /nfs/dbraw/zinc/64/47/03/432644703.db2.gz IFUUBBMGZMSTJM-HNNXBMFYSA-N 1 0 321.852 3.028 10 0 DGAERO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195317637 432618365 /nfs/dbraw/zinc/61/83/65/432618365.db2.gz ZPRRJWDHZUQZIF-OAHLLOKOSA-N 1 0 314.360 3.006 10 0 DGAERO C[NH+](C)CC1(CNC(=O)C2(c3ccc(F)cc3)CC2)CCCC1 ZINC000185882238 282064909 /nfs/dbraw/zinc/06/49/09/282064909.db2.gz XMOYPMGFFYZFCF-UHFFFAOYSA-N 1 0 318.436 3.096 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000261680047 282070744 /nfs/dbraw/zinc/07/07/44/282070744.db2.gz HTSHELBMXTWLKK-NWDGAFQWSA-N 1 0 308.388 3.236 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000177694432 432651147 /nfs/dbraw/zinc/65/11/47/432651147.db2.gz SDCFZBFTOHHSEK-NVXWUHKLSA-N 1 0 318.461 3.132 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000177704335 432652417 /nfs/dbraw/zinc/65/24/17/432652417.db2.gz UFXVYYKFOUZSAA-IRXDYDNUSA-N 1 0 317.477 3.047 10 0 DGAERO O[C@@H](C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl)C(F)(F)F ZINC000158643130 432652541 /nfs/dbraw/zinc/65/25/41/432652541.db2.gz CLYLENKDXHZION-AAEUAGOBSA-N 1 0 307.743 3.270 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000177706968 432653234 /nfs/dbraw/zinc/65/32/34/432653234.db2.gz IMUNWEKWEXOYIM-HOCLYGCPSA-N 1 0 314.433 3.214 10 0 DGAERO CCc1cnccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187260829 432654361 /nfs/dbraw/zinc/65/43/61/432654361.db2.gz KHFNVHHXKQFKGP-KBXCAEBGSA-N 1 0 311.429 3.065 10 0 DGAERO Cc1ccc([C@@H]([NH2+]C[C@]2(CCO)CCOC2)C2CCC2)cc1 ZINC000187306869 432655580 /nfs/dbraw/zinc/65/55/80/432655580.db2.gz JPYOJYIKIFSPSF-OALUTQOASA-N 1 0 303.446 3.215 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1F ZINC000177744916 432657296 /nfs/dbraw/zinc/65/72/96/432657296.db2.gz OVULIGNVGVWPFK-LLVKDONJSA-N 1 0 305.397 3.078 10 0 DGAERO Cc1ccc(-c2cc(CN3CC[N@@H+]4CCCC[C@@H]4C3)on2)cc1 ZINC000177766251 432659164 /nfs/dbraw/zinc/65/91/64/432659164.db2.gz OWNSSCOKOXZQSX-QGZVFWFLSA-N 1 0 311.429 3.320 10 0 DGAERO Fc1cccc(-c2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)co2)c1 ZINC000177776499 432661165 /nfs/dbraw/zinc/66/11/65/432661165.db2.gz NEKXEVJDEMZDBS-QGZVFWFLSA-N 1 0 315.392 3.151 10 0 DGAERO CC(C)CC(=O)N1CCC(C[NH3+])(CCc2ccccc2)CC1 ZINC000219252266 432661844 /nfs/dbraw/zinc/66/18/44/432661844.db2.gz DYKNGUZIAMJKMJ-UHFFFAOYSA-N 1 0 302.462 3.233 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000158956605 432663836 /nfs/dbraw/zinc/66/38/36/432663836.db2.gz RNTAWSZRULXLOK-CJNGLKHVSA-N 1 0 320.864 3.217 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3cccs3)o2)C1 ZINC000187937281 432695179 /nfs/dbraw/zinc/69/51/79/432695179.db2.gz CMIMTHRQKOPGAS-BLLLJJGKSA-N 1 0 306.431 3.386 10 0 DGAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1nc2ccc(Cl)cc2n1C ZINC000188056761 432702306 /nfs/dbraw/zinc/70/23/06/432702306.db2.gz SWHAJTIOSQSSLJ-LLVKDONJSA-N 1 0 307.825 3.040 10 0 DGAERO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCOCc1ccccc1 ZINC000178238722 432710489 /nfs/dbraw/zinc/71/04/89/432710489.db2.gz QMVFJBQAZZPCPO-OAHLLOKOSA-N 1 0 301.434 3.376 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)NCCC[NH+]1CCCCC1 ZINC000178263795 432713614 /nfs/dbraw/zinc/71/36/14/432713614.db2.gz JJVWVSBVNSWHPQ-UHFFFAOYSA-N 1 0 313.445 3.391 10 0 DGAERO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2cn(C)nc2C)n1 ZINC000178283160 432714834 /nfs/dbraw/zinc/71/48/34/432714834.db2.gz AKIGQIOTPQKCLP-CQSZACIVSA-N 1 0 309.417 3.073 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000178298368 432717678 /nfs/dbraw/zinc/71/76/78/432717678.db2.gz KMIRNZPRDULDIO-LJQANCHMSA-N 1 0 321.428 3.042 10 0 DGAERO CO[C@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@H]1C ZINC000188309714 432717969 /nfs/dbraw/zinc/71/79/69/432717969.db2.gz WDOFAXWMNHGGDF-PBHICJAKSA-N 1 0 305.466 3.325 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncc(C(F)(F)F)cc3Cl)C[C@H]21 ZINC000228551511 432719025 /nfs/dbraw/zinc/71/90/25/432719025.db2.gz ISGINJLKFFDHFC-HLUHBDAQSA-N 1 0 319.758 3.317 10 0 DGAERO [NH3+][C@@H](c1cc(Cl)ccc1I)C1CC1 ZINC000229296659 432721483 /nfs/dbraw/zinc/72/14/83/432721483.db2.gz KGVKVXIABOEQQD-SNVBAGLBSA-N 1 0 307.562 3.354 10 0 DGAERO Cc1ccc([C@H]2CN(Cc3cc4ccccc4[nH]c3=O)CCO2)o1 ZINC000159116956 432670287 /nfs/dbraw/zinc/67/02/87/432670287.db2.gz PWNIRFDMJFMOEF-GOSISDBHSA-N 1 0 324.380 3.415 10 0 DGAERO COc1c(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c(C)nn1C ZINC000187593107 432670563 /nfs/dbraw/zinc/67/05/63/432670563.db2.gz KKDYLTUIOBVLSD-LBPRGKRZSA-N 1 0 321.371 3.005 10 0 DGAERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2ccccc21 ZINC000159176635 432673464 /nfs/dbraw/zinc/67/34/64/432673464.db2.gz LDBYXJKUNKULKA-WOJBJXKFSA-N 1 0 322.452 3.353 10 0 DGAERO C[C@H]([NH2+]CC1(O)CCOCC1)c1cccc(Cl)c1Cl ZINC000223115901 432673916 /nfs/dbraw/zinc/67/39/16/432673916.db2.gz DULVQIOMMQIWQS-JTQLQIEISA-N 1 0 304.217 3.186 10 0 DGAERO COc1ccc(CCN2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000159203827 432675097 /nfs/dbraw/zinc/67/50/97/432675097.db2.gz JWBRDSGXURWBCU-SFHVURJKSA-N 1 0 301.386 3.213 10 0 DGAERO Fc1cc(F)c2nccc(N3CC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000159222305 432675585 /nfs/dbraw/zinc/67/55/85/432675585.db2.gz ZQXRVMGZEUAWMC-ZDUSSCGKSA-N 1 0 303.356 3.188 10 0 DGAERO Cc1c([C@@H](C)[NH2+][C@@H]2CCCOC2)nnn1-c1ccc(Cl)cc1 ZINC000177931353 432676221 /nfs/dbraw/zinc/67/62/21/432676221.db2.gz HDNJEKJTIPFYIX-BXUZGUMPSA-N 1 0 320.824 3.059 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCOC1)c1cc(Br)ccc1F ZINC000177931704 432676437 /nfs/dbraw/zinc/67/64/37/432676437.db2.gz TZEJMARHJUGWBP-ONGXEEELSA-N 1 0 302.187 3.418 10 0 DGAERO COC[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000187687171 432676537 /nfs/dbraw/zinc/67/65/37/432676537.db2.gz GGRSJELIPCVNLW-HNNXBMFYSA-N 1 0 317.351 3.237 10 0 DGAERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccsc1 ZINC000178039019 432688253 /nfs/dbraw/zinc/68/82/53/432688253.db2.gz UTDZYEXFEZOURE-BBRMVZONSA-N 1 0 302.443 3.098 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(Cl)c1 ZINC000178053168 432689445 /nfs/dbraw/zinc/68/94/45/432689445.db2.gz AXAZIQRXHCRZLB-LBPRGKRZSA-N 1 0 313.792 3.167 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1-n1cncn1 ZINC000178058515 432689921 /nfs/dbraw/zinc/68/99/21/432689921.db2.gz QBBVCEXQLCLRQN-HYVNUMGLSA-N 1 0 313.449 3.213 10 0 DGAERO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)s1 ZINC000187854264 432690200 /nfs/dbraw/zinc/69/02/00/432690200.db2.gz YWSJWGVRULCMFS-AAEUAGOBSA-N 1 0 312.479 3.249 10 0 DGAERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc(Br)o1 ZINC000275810381 432749577 /nfs/dbraw/zinc/74/95/77/432749577.db2.gz ZKTXDVVNEBMWBH-NSHDSACASA-N 1 0 323.190 3.310 10 0 DGAERO COc1ccccc1/C=C/C[NH2+][C@@H](CO)Cc1ccccc1C ZINC000188921526 432751950 /nfs/dbraw/zinc/75/19/50/432751950.db2.gz VGUCFPZERFIJDW-BQHJZSHBSA-N 1 0 311.425 3.210 10 0 DGAERO CC[C@H](C)CN(CC)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000178557045 432752123 /nfs/dbraw/zinc/75/21/23/432752123.db2.gz KHIBDXDKAPRRST-HNNXBMFYSA-N 1 0 318.465 3.128 10 0 DGAERO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3cccnc3C)C2=O)c(C)c1 ZINC000188941331 432753393 /nfs/dbraw/zinc/75/33/93/432753393.db2.gz PVLHMBPSWYGLFS-SFHVURJKSA-N 1 0 323.440 3.210 10 0 DGAERO O=C1[C@@H]([NH2+]C2CCCCCC2)CCN1Cc1ccc(F)cc1 ZINC000189043539 432760611 /nfs/dbraw/zinc/76/06/11/432760611.db2.gz ZJHLBECXQMELIS-KRWDZBQOSA-N 1 0 304.409 3.239 10 0 DGAERO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc2c(c1)CCO2 ZINC000178665302 432763663 /nfs/dbraw/zinc/76/36/63/432763663.db2.gz QEHXNJBPPGHCBI-ZDUSSCGKSA-N 1 0 320.433 3.187 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)CC(C)(C)C1 ZINC000174361767 288567132 /nfs/dbraw/zinc/56/71/32/288567132.db2.gz KRXSMQJDSCFMMY-BZUAXINKSA-N 1 0 302.466 3.250 10 0 DGAERO CCCn1nc(C)c(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)c1C ZINC000189237186 432771258 /nfs/dbraw/zinc/77/12/58/432771258.db2.gz LWSIWDWDSORGHA-WBVHZDCISA-N 1 0 307.482 3.451 10 0 DGAERO O=C(NCCC1=CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178747505 432772457 /nfs/dbraw/zinc/77/24/57/432772457.db2.gz LXEKAOIPOJICCN-UHFFFAOYSA-N 1 0 319.493 3.441 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(Cc2ccccc2F)CC1 ZINC000188480388 432726979 /nfs/dbraw/zinc/72/69/79/432726979.db2.gz ARLIROQRJZZPME-MRXNPFEDSA-N 1 0 318.436 3.091 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]([NH2+]CC[C@@H]1CCOC1)C2 ZINC000230410379 432728969 /nfs/dbraw/zinc/72/89/69/432728969.db2.gz FTNNBKKLFFNJTA-WBMJQRKESA-N 1 0 324.262 3.323 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 ZINC000230412587 432729558 /nfs/dbraw/zinc/72/95/58/432729558.db2.gz FHEOJQWMOCTXDJ-QWHCGFSZSA-N 1 0 323.412 3.128 10 0 DGAERO COc1ccc(OC)c(C[N@H+](CC[C@@H]2CCCO2)C2CC2)c1 ZINC000188566418 432731735 /nfs/dbraw/zinc/73/17/35/432731735.db2.gz FGZQAIIMCULKBL-INIZCTEOSA-N 1 0 305.418 3.237 10 0 DGAERO CN(Cc1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231458958 432733100 /nfs/dbraw/zinc/73/31/00/432733100.db2.gz ONZUZBKVBMQOHC-MRXNPFEDSA-N 1 0 301.459 3.384 10 0 DGAERO O=C(c1cc2c(s1)CCCCCC2)N1CC[NH+]2CCC1CC2 ZINC000188620682 432735815 /nfs/dbraw/zinc/73/58/15/432735815.db2.gz NAZWAVITOXQSBT-UHFFFAOYSA-N 1 0 318.486 3.327 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000178443917 432737364 /nfs/dbraw/zinc/73/73/64/432737364.db2.gz LKYKVHJJNPPSAI-OALUTQOASA-N 1 0 311.425 3.340 10 0 DGAERO CSc1ccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000178451261 432738251 /nfs/dbraw/zinc/73/82/51/432738251.db2.gz SXKKGTPNOIFPGG-ZDUSSCGKSA-N 1 0 306.475 3.051 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000178445844 432738669 /nfs/dbraw/zinc/73/86/69/432738669.db2.gz CUXDHWRPXNRQAR-CXAGYDPISA-N 1 0 313.397 3.014 10 0 DGAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000275696197 432741252 /nfs/dbraw/zinc/74/12/52/432741252.db2.gz XGZRSANYBHCTIC-GJZGRUSLSA-N 1 0 323.799 3.223 10 0 DGAERO CC1(C)CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)c2cccc(Cl)c21 ZINC000178475944 432741642 /nfs/dbraw/zinc/74/16/42/432741642.db2.gz KLLHRNDUWSMXGA-NWDGAFQWSA-N 1 0 306.837 3.482 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000188795781 432745167 /nfs/dbraw/zinc/74/51/67/432745167.db2.gz ACIQMOORUUFCGA-GPAUDHNESA-N 1 0 318.442 3.239 10 0 DGAERO CCC[C@H](C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C)[NH+](C)C ZINC000162376433 432821390 /nfs/dbraw/zinc/82/13/90/432821390.db2.gz PZJODVSDDUMJSQ-QILLFSRXSA-N 1 0 318.461 3.130 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)s1 ZINC000162397551 432822282 /nfs/dbraw/zinc/82/22/82/432822282.db2.gz DJNGVKCBZIKYJS-CYBMUJFWSA-N 1 0 307.438 3.373 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)ccc1F ZINC000245511137 432839331 /nfs/dbraw/zinc/83/93/31/432839331.db2.gz XPBBMNKHDWZJMG-SDDDUWNISA-N 1 0 301.361 3.143 10 0 DGAERO C[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)[C@H]1c1cccc(F)c1 ZINC000245410723 432828747 /nfs/dbraw/zinc/82/87/47/432828747.db2.gz SMLDVFJVLNCIPJ-RDTXWAMCSA-N 1 0 304.409 3.221 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(Cl)cccc1Cl ZINC000245422907 432829666 /nfs/dbraw/zinc/82/96/66/432829666.db2.gz QGMLBBBSAADRRE-QWRGUYRKSA-N 1 0 313.228 3.302 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000245429906 432829774 /nfs/dbraw/zinc/82/97/74/432829774.db2.gz KZWRLIHQZBUIAP-KFWWJZLASA-N 1 0 322.399 3.011 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)ccc1C ZINC000245433343 432830173 /nfs/dbraw/zinc/83/01/73/432830173.db2.gz PWGTUJBDRBFVGC-CVEARBPZSA-N 1 0 301.434 3.394 10 0 DGAERO Cc1sc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1C ZINC000245450841 432831337 /nfs/dbraw/zinc/83/13/37/432831337.db2.gz OZRFXXDFYSXMLQ-XHDPSFHLSA-N 1 0 323.506 3.026 10 0 DGAERO COc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000245441194 432832045 /nfs/dbraw/zinc/83/20/45/432832045.db2.gz HDEUDQFBVNSXJK-CVEARBPZSA-N 1 0 317.433 3.174 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000245444489 432832486 /nfs/dbraw/zinc/83/24/86/432832486.db2.gz YBXNWXXZGKLKAV-ZIAGYGMSSA-N 1 0 308.470 3.092 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000277280222 432833385 /nfs/dbraw/zinc/83/33/85/432833385.db2.gz BCURPDCWGNGWMP-NOZJJQNGSA-N 1 0 302.187 3.103 10 0 DGAERO CCO[C@@H](C)c1nc(CN(C)C[C@@H]2CCC[N@@H+]2CC)cs1 ZINC000245467106 432834033 /nfs/dbraw/zinc/83/40/33/432834033.db2.gz JVJMCSQBYYXZRE-ZFWWWQNUSA-N 1 0 311.495 3.157 10 0 DGAERO CC(C)c1noc([C@@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000245495237 432836546 /nfs/dbraw/zinc/83/65/46/432836546.db2.gz PBWAUPDOZGHSLB-KFWWJZLASA-N 1 0 306.454 3.201 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-c3ccccn3)c2C)C1 ZINC000178860147 432783418 /nfs/dbraw/zinc/78/34/18/432783418.db2.gz QZYLPPKOYRMEMH-MRXNPFEDSA-N 1 0 323.440 3.271 10 0 DGAERO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)s1 ZINC000237395956 432786035 /nfs/dbraw/zinc/78/60/35/432786035.db2.gz RHNMUWRPNZSBLJ-WSMDXJOWSA-N 1 0 312.866 3.246 10 0 DGAERO CC[N@H+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000178981498 432794361 /nfs/dbraw/zinc/79/43/61/432794361.db2.gz KCOAVJIHWKXQKK-KRWDZBQOSA-N 1 0 306.837 3.392 10 0 DGAERO Cc1cnc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000179015600 432797044 /nfs/dbraw/zinc/79/70/44/432797044.db2.gz DZOPYGNNMJHBMA-ZIAGYGMSSA-N 1 0 316.430 3.018 10 0 DGAERO CN1CC[C@H]([NH2+]Cc2cc[nH]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179036164 432797914 /nfs/dbraw/zinc/79/79/14/432797914.db2.gz HFPMYZKLFOHOEF-HOTGVXAUSA-N 1 0 307.800 3.342 10 0 DGAERO CC[N@H+](CCOc1ccccc1C(C)=O)CCc1nccs1 ZINC000179037029 432798193 /nfs/dbraw/zinc/79/81/93/432798193.db2.gz SUCUOHVVYNUSRD-UHFFFAOYSA-N 1 0 318.442 3.289 10 0 DGAERO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000189581772 432800163 /nfs/dbraw/zinc/80/01/63/432800163.db2.gz TZHLATOMKIGNOJ-VQIMIIECSA-N 1 0 302.462 3.343 10 0 DGAERO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000189581749 432800614 /nfs/dbraw/zinc/80/06/14/432800614.db2.gz TZHLATOMKIGNOJ-APWZRJJASA-N 1 0 302.462 3.343 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000237867230 432803466 /nfs/dbraw/zinc/80/34/66/432803466.db2.gz ZCFJPFVKFQPLQD-CZUORRHYSA-N 1 0 320.864 3.395 10 0 DGAERO Cc1cccc(C2(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)CCCC2)c1 ZINC000237932208 432804375 /nfs/dbraw/zinc/80/43/75/432804375.db2.gz DGLANIKKUQQOOK-WBVHZDCISA-N 1 0 300.446 3.398 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)N[C@H](c1ccccc1)c1ccncc1 ZINC000237965565 432805714 /nfs/dbraw/zinc/80/57/14/432805714.db2.gz PTRXQYNSJDPAEP-HXUWFJFHSA-N 1 0 323.440 3.067 10 0 DGAERO Cc1cccc(CN(Cc2ccccn2)C(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000237940687 432805854 /nfs/dbraw/zinc/80/58/54/432805854.db2.gz RCUJXWISFYMUNF-MSOLQXFVSA-N 1 0 323.440 3.046 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2(c3c(F)cccc3F)CCCC2)C1 ZINC000237958349 432806011 /nfs/dbraw/zinc/80/60/11/432806011.db2.gz NEIUVWHQDLTPAE-QWHCGFSZSA-N 1 0 322.399 3.020 10 0 DGAERO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000237961895 432806159 /nfs/dbraw/zinc/80/61/59/432806159.db2.gz LQMYWDCEILXZSL-CQSZACIVSA-N 1 0 302.349 3.039 10 0 DGAERO CCC[C@@H](C(=O)NCC1(c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000161972861 432806334 /nfs/dbraw/zinc/80/63/34/432806334.db2.gz XVPDTGSGALAEOT-HNNXBMFYSA-N 1 0 308.853 3.218 10 0 DGAERO COc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1OC(F)F ZINC000189720496 432812521 /nfs/dbraw/zinc/81/25/21/432812521.db2.gz ZGWPQLJRZQDRNA-LBPRGKRZSA-N 1 0 315.360 3.344 10 0 DGAERO CCCOc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1OC ZINC000245749901 432861006 /nfs/dbraw/zinc/86/10/06/432861006.db2.gz NPBABROVHGWVSR-NVXWUHKLSA-N 1 0 318.461 3.153 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cc(-c3ccccc3)n[nH]1)CC2 ZINC000245760695 432861044 /nfs/dbraw/zinc/86/10/44/432861044.db2.gz PPUYAOONHMQEFX-LPHOPBHVSA-N 1 0 311.429 3.204 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(F)c1 ZINC000245804017 432864581 /nfs/dbraw/zinc/86/45/81/432864581.db2.gz ZVMJFBKFPGRCLS-OLZOCXBDSA-N 1 0 310.800 3.178 10 0 DGAERO C[C@H](O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000245835730 432865705 /nfs/dbraw/zinc/86/57/05/432865705.db2.gz CMVSORWZEHZXKN-VIBAHUMZSA-N 1 0 301.430 3.177 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000245931270 432871822 /nfs/dbraw/zinc/87/18/22/432871822.db2.gz QHOWBFKVWWWZRE-MNEFBYGVSA-N 1 0 308.425 3.106 10 0 DGAERO C[C@H](C[N@H+](CCc1ccccc1)C1CCCC1)CS(C)(=O)=O ZINC000163220729 432846102 /nfs/dbraw/zinc/84/61/02/432846102.db2.gz YPEHGGNOBVAURO-MRXNPFEDSA-N 1 0 323.502 3.154 10 0 DGAERO CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000245627442 432852076 /nfs/dbraw/zinc/85/20/76/432852076.db2.gz YXJNONUFOFXKHA-JZXOWHBKSA-N 1 0 319.468 3.114 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000245656600 432852713 /nfs/dbraw/zinc/85/27/13/432852713.db2.gz CPDFQJWRAHIASL-NXHRZFHOSA-N 1 0 315.461 3.324 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](C)c1ccc(OC)cc1 ZINC000245643854 432852883 /nfs/dbraw/zinc/85/28/83/432852883.db2.gz FBSGGYSVENPBDD-YJBOKZPZSA-N 1 0 318.461 3.132 10 0 DGAERO Cc1nn(-c2ccccc2)cc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245686102 432855463 /nfs/dbraw/zinc/85/54/63/432855463.db2.gz AOYSGDVZVXSVNX-KXBFYZLASA-N 1 0 312.461 3.095 10 0 DGAERO CC(C)n1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cn1 ZINC000245687474 432855732 /nfs/dbraw/zinc/85/57/32/432855732.db2.gz ALEYOAICLJIKFS-JKSUJKDBSA-N 1 0 303.406 3.145 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC000245701093 432856807 /nfs/dbraw/zinc/85/68/07/432856807.db2.gz CMDMGQQQYYBGTD-FHLIZLRMSA-N 1 0 300.446 3.025 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC000245690309 432856829 /nfs/dbraw/zinc/85/68/29/432856829.db2.gz AFPLUQILCVHAOS-ZWKOTPCHSA-N 1 0 300.446 3.123 10 0 DGAERO COc1cccc(CCC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000245704063 432857033 /nfs/dbraw/zinc/85/70/33/432857033.db2.gz RUMHCWWVQIUBKW-QFBILLFUSA-N 1 0 313.445 3.407 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000245708684 432857319 /nfs/dbraw/zinc/85/73/19/432857319.db2.gz CCLYYAZZGZFBGP-HZMBPMFUSA-N 1 0 311.788 3.180 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(C2CCCC2)s1 ZINC000245730848 432859170 /nfs/dbraw/zinc/85/91/70/432859170.db2.gz JTOFVGAIFZBXJJ-HIFRSBDPSA-N 1 0 305.491 3.469 10 0 DGAERO c1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)n(-c2ccccc2)n1 ZINC000279237670 432948480 /nfs/dbraw/zinc/94/84/80/432948480.db2.gz ZLVNWSXBCCNMHA-INIZCTEOSA-N 1 0 311.429 3.454 10 0 DGAERO [NH3+]Cc1cccnc1NC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000333253031 433044651 /nfs/dbraw/zinc/04/46/51/433044651.db2.gz CUAODHJXRUALFU-UMVBOHGHSA-N 1 0 302.422 3.021 10 0 DGAERO CC(C)(C)c1csc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)n1 ZINC000333138040 433034590 /nfs/dbraw/zinc/03/45/90/433034590.db2.gz KNIKEOQYHJLCCE-UHFFFAOYSA-N 1 0 322.478 3.048 10 0 DGAERO CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[C@@H](C)C[C@@H]2n2cncn2)CCO1 ZINC000333227457 433041937 /nfs/dbraw/zinc/04/19/37/433041937.db2.gz NJDPKAIGTLRIIX-ZBRFXRBCSA-N 1 0 320.481 3.049 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000333357400 433049952 /nfs/dbraw/zinc/04/99/52/433049952.db2.gz KNTPDFUYJDJWOK-CPUCHLNUSA-N 1 0 301.434 3.066 10 0 DGAERO Cc1cccc(OCCCCC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c1 ZINC000155570055 292710659 /nfs/dbraw/zinc/71/06/59/292710659.db2.gz PPFYOXXSDUWTET-IAGOWNOFSA-N 1 0 318.461 3.095 10 0 DGAERO c1ccc([C@@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]2CCOC2)cc1 ZINC000372898489 433056010 /nfs/dbraw/zinc/05/60/10/433056010.db2.gz VISSPGISNXVKOE-RTBURBONSA-N 1 0 302.462 3.230 10 0 DGAERO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000182563757 289375128 /nfs/dbraw/zinc/37/51/28/289375128.db2.gz MXDJSJARPCJBPH-ZYSHUDEJSA-N 1 0 308.425 3.352 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1F ZINC000156810464 292735701 /nfs/dbraw/zinc/73/57/01/292735701.db2.gz PBBSFWNJWHXBKH-AWEZNQCLSA-N 1 0 321.440 3.367 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)[C@@H](C)O ZINC000453331328 433094710 /nfs/dbraw/zinc/09/47/10/433094710.db2.gz TXHCRVDZMNCNOB-LJWDBELGSA-N 1 0 302.340 3.227 10 0 DGAERO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC12CCC2 ZINC000373117569 433094913 /nfs/dbraw/zinc/09/49/13/433094913.db2.gz HZSPVKJFBTYVMN-SFHVURJKSA-N 1 0 312.457 3.444 10 0 DGAERO Fc1cccc(Cl)c1CCC[NH2+]Cc1nnc2ccccn21 ZINC000446752300 433100382 /nfs/dbraw/zinc/10/03/82/433100382.db2.gz GVQCXSOSXIMYSC-UHFFFAOYSA-N 1 0 318.783 3.244 10 0 DGAERO COC[C@@H]([NH2+]CCCc1ccc(OC)c(OC)c1)C1CCCC1 ZINC000446756958 433098857 /nfs/dbraw/zinc/09/88/57/433098857.db2.gz OQMRHGBJYKDHGA-QGZVFWFLSA-N 1 0 321.461 3.431 10 0 DGAERO CC(C)c1nn(C)cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361358431 433127475 /nfs/dbraw/zinc/12/74/75/433127475.db2.gz XJVWHDMXLIHCCK-CQSZACIVSA-N 1 0 318.465 3.137 10 0 DGAERO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000453371698 433131392 /nfs/dbraw/zinc/13/13/92/433131392.db2.gz UPXFQSPXHXVCDB-LERXQTSPSA-N 1 0 319.323 3.040 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@@H]3CN(c4nc(C5CCC5)no4)C[C@@H]32)cc1 ZINC000425272585 433144322 /nfs/dbraw/zinc/14/43/22/433144322.db2.gz GWESPIQZVJYXIF-SJORKVTESA-N 1 0 324.428 3.048 10 0 DGAERO c1ccc(COCCC[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000373258630 433147869 /nfs/dbraw/zinc/14/78/69/433147869.db2.gz IDLJDHOFPXNFRC-GOSISDBHSA-N 1 0 311.429 3.263 10 0 DGAERO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000447068760 433152420 /nfs/dbraw/zinc/15/24/20/433152420.db2.gz PRQZUFCPZLQTTN-SFHVURJKSA-N 1 0 314.433 3.048 10 0 DGAERO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333854462 433118935 /nfs/dbraw/zinc/11/89/35/433118935.db2.gz XYIVESFDBKHFCJ-HIFRSBDPSA-N 1 0 319.449 3.043 10 0 DGAERO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333854469 433119404 /nfs/dbraw/zinc/11/94/04/433119404.db2.gz XYIVESFDBKHFCJ-ZFWWWQNUSA-N 1 0 319.449 3.043 10 0 DGAERO C[C@@H](CC[NH2+]Cc1csc(Cl)c1Cl)[S@](C)=O ZINC000336740070 433194298 /nfs/dbraw/zinc/19/42/98/433194298.db2.gz LYZHYFQFNLDDRK-GYKQLYQFSA-N 1 0 300.276 3.302 10 0 DGAERO c1ccc(-c2ccc(CN3CCC[C@@H]3C[NH+]3CCCC3)cn2)nc1 ZINC000425390936 433223120 /nfs/dbraw/zinc/22/31/20/433223120.db2.gz COOMZPXZKAIMQJ-GOSISDBHSA-N 1 0 322.456 3.204 10 0 DGAERO c1ccc(CN2CC[C@H]3C[N@@H+](CC[C@@H]4CCCCO4)C[C@H]32)cc1 ZINC000425501908 433268631 /nfs/dbraw/zinc/26/86/31/433268631.db2.gz PDZLSUPEYDCHMO-SLFFLAALSA-N 1 0 314.473 3.152 10 0 DGAERO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000453614962 433238417 /nfs/dbraw/zinc/23/84/17/433238417.db2.gz QKOORVVDABGFGW-UHFFFAOYSA-N 1 0 313.405 3.061 10 0 DGAERO c1nc([C@H]2CCCO2)sc1CN1CCOC[C@@H]1CC1CCC1 ZINC000354730572 433244241 /nfs/dbraw/zinc/24/42/41/433244241.db2.gz NJOXYCWGWIZBHQ-GOEBONIOSA-N 1 0 322.474 3.386 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCOC[C@H](C4CCC4)C3)cn2)nc1 ZINC000425443060 433245932 /nfs/dbraw/zinc/24/59/32/433245932.db2.gz JDUIKHFNXUPEMM-GOSISDBHSA-N 1 0 323.440 3.392 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCOC4)cn2)nc1 ZINC000425442913 433246606 /nfs/dbraw/zinc/24/66/06/433246606.db2.gz KLKNSGCZVFLZCW-IBGZPJMESA-N 1 0 309.413 3.146 10 0 DGAERO CC(C)OCCN1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000157978703 292757102 /nfs/dbraw/zinc/75/71/02/292757102.db2.gz SOEYLVCWCGHVQV-LJQANCHMSA-N 1 0 302.462 3.153 10 0 DGAERO Cc1ccc2ccccc2c1C[N@@H+]1CCSC[C@@H]1CCO ZINC000361587771 433265945 /nfs/dbraw/zinc/26/59/45/433265945.db2.gz WVGLJNXRUQPOQU-INIZCTEOSA-N 1 0 301.455 3.448 10 0 DGAERO c1ccc(CN2CC[C@H]3C[N@@H+](CC[C@H]4CCCCO4)C[C@H]32)cc1 ZINC000425501909 433272082 /nfs/dbraw/zinc/27/20/82/433272082.db2.gz PDZLSUPEYDCHMO-XUVXKRRUSA-N 1 0 314.473 3.152 10 0 DGAERO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCCF)C1)C1CCCC1 ZINC000374816787 433282433 /nfs/dbraw/zinc/28/24/33/433282433.db2.gz GFGOIDBZKQZLHK-AWEZNQCLSA-N 1 0 322.428 3.077 10 0 DGAERO CC(C)(C)SCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000374809605 433284022 /nfs/dbraw/zinc/28/40/22/433284022.db2.gz CLWOJFVHVODSHS-UHFFFAOYSA-N 1 0 312.523 3.243 10 0 DGAERO COc1ccccc1-n1nccc1C[NH2+]CC1CC(F)(F)C1 ZINC000291638184 433298470 /nfs/dbraw/zinc/29/84/70/433298470.db2.gz BDARRNVKAFSTSV-UHFFFAOYSA-N 1 0 307.344 3.016 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(-c4cc5c(s4)CCOC5)n3)cc12 ZINC000351067716 433361600 /nfs/dbraw/zinc/36/16/00/433361600.db2.gz DLMRQWJRJMGKOU-UHFFFAOYSA-N 1 0 324.365 3.186 10 0 DGAERO OC[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000375009619 433335549 /nfs/dbraw/zinc/33/55/49/433335549.db2.gz YHNQLIPTZNQGDG-FQEVSTJZSA-N 1 0 321.424 3.089 10 0 DGAERO c1ccc(CN2CCCO[C@@H](C[N@@H+]3CCCC34CCC4)C2)cc1 ZINC000375334519 433432234 /nfs/dbraw/zinc/43/22/34/433432234.db2.gz CPJDACSQVHNLFI-LJQANCHMSA-N 1 0 314.473 3.296 10 0 DGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c1C ZINC000158707370 292775510 /nfs/dbraw/zinc/77/55/10/292775510.db2.gz LVYVYBZKDBTZRL-GFCCVEGCSA-N 1 0 324.469 3.037 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc2c(c1)OCCCO2 ZINC000247079313 290010987 /nfs/dbraw/zinc/01/09/87/290010987.db2.gz NLFNAKQHTWOHJL-LLLHUVSDSA-N 1 0 317.429 3.456 10 0 DGAERO CCc1ccc(NC(=O)NCCC2CC[NH+](C)CC2)cc1F ZINC000159074622 292783903 /nfs/dbraw/zinc/78/39/03/292783903.db2.gz UHJPJUQJYWYLJE-UHFFFAOYSA-N 1 0 307.413 3.242 10 0 DGAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)C1CCS(=O)(=O)CC1 ZINC000187395037 290057852 /nfs/dbraw/zinc/05/78/52/290057852.db2.gz WLGBRQSJINNNGA-GLJUWKHASA-N 1 0 321.486 3.428 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000355105447 433463966 /nfs/dbraw/zinc/46/39/66/433463966.db2.gz HXAGBWQPZPSNSU-BBRMVZONSA-N 1 0 315.442 3.206 10 0 DGAERO c1coc(-c2nc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)cs2)c1 ZINC000355111120 433469327 /nfs/dbraw/zinc/46/93/27/433469327.db2.gz LYAQUZQCMXZJAP-JSGCOSHPSA-N 1 0 304.415 3.404 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000191133132 290355454 /nfs/dbraw/zinc/35/54/54/290355454.db2.gz LKALFTHWQCMAFQ-STQMWFEESA-N 1 0 322.474 3.194 10 0 DGAERO FC(F)(F)c1cccc(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000301352815 433519547 /nfs/dbraw/zinc/51/95/47/433519547.db2.gz JIOPZKZWEXXAEI-UHFFFAOYSA-N 1 0 313.367 3.413 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000355139805 433489009 /nfs/dbraw/zinc/48/90/09/433489009.db2.gz UMMLJERLUKZPIM-ZBFHGGJFSA-N 1 0 315.442 3.206 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000355139802 433489706 /nfs/dbraw/zinc/48/97/06/433489706.db2.gz UMMLJERLUKZPIM-GOEBONIOSA-N 1 0 315.442 3.206 10 0 DGAERO c1cc2c(cc1C[NH2+]C[C@@H]1CC13CCSCC3)OCCO2 ZINC000421349696 433491442 /nfs/dbraw/zinc/49/14/42/433491442.db2.gz JONWOKXHNVZAGR-AWEZNQCLSA-N 1 0 305.443 3.081 10 0 DGAERO COC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccccc1 ZINC000161522321 292836929 /nfs/dbraw/zinc/83/69/29/292836929.db2.gz JSCAWBYTSLDKND-IBGZPJMESA-N 1 0 316.420 3.235 10 0 DGAERO CCC[C@@H](C(=O)Nc1cccc(-n2nc(C)cc2C)c1)[NH+](C)C ZINC000161562753 292837539 /nfs/dbraw/zinc/83/75/39/292837539.db2.gz TYJFHGZSDJBRQM-KRWDZBQOSA-N 1 0 314.433 3.158 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)cc2)n1 ZINC000339515103 433632878 /nfs/dbraw/zinc/63/28/78/433632878.db2.gz OEPYMMASLGWLLL-MJGOQNOKSA-N 1 0 304.397 3.161 10 0 DGAERO CC1(C)Cc2occc2[C@H]([NH2+]CCNC(=O)c2ccccc2)C1 ZINC000162517408 292855192 /nfs/dbraw/zinc/85/51/92/292855192.db2.gz SXROANQKKRBEFM-MRXNPFEDSA-N 1 0 312.413 3.313 10 0 DGAERO C[C@@H](F)CC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000339491879 433616438 /nfs/dbraw/zinc/61/64/38/433616438.db2.gz OVURPSNZLZHATD-MRVPVSSYSA-N 1 0 304.159 3.016 10 0 DGAERO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000376078945 433660223 /nfs/dbraw/zinc/66/02/23/433660223.db2.gz GERANINOGKXPAN-IRXDYDNUSA-N 1 0 306.494 3.393 10 0 DGAERO COc1cc(C)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000449031710 433689199 /nfs/dbraw/zinc/68/91/99/433689199.db2.gz VWEIQFLDPRCISG-UKRRQHHQSA-N 1 0 317.351 3.281 10 0 DGAERO C[C@H](C[NH+]1C[C@@H]2CCCC[C@H]2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449034782 433692329 /nfs/dbraw/zinc/69/23/29/433692329.db2.gz KTIQGQYLOYQABY-PVAVHDDUSA-N 1 0 321.486 3.316 10 0 DGAERO CCC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cccnc1 ZINC000367243606 293043170 /nfs/dbraw/zinc/04/31/70/293043170.db2.gz AUEWLRAVISUSJA-SQNIBIBYSA-N 1 0 318.461 3.080 10 0 DGAERO c1cn2c(C[N@@H+]3CC[C@@]4(C3)CCCOC4)c(C3CC3)nc2s1 ZINC000367436489 293071508 /nfs/dbraw/zinc/07/15/08/293071508.db2.gz GGAZTJYYRQWIAK-QGZVFWFLSA-N 1 0 317.458 3.276 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Cl)nc1Cl ZINC000283229078 433694946 /nfs/dbraw/zinc/69/49/46/433694946.db2.gz UAYUDVXWAKUWAU-PWSUYJOCSA-N 1 0 300.233 3.057 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]CCCCOCCc1ccccc1)CCC2 ZINC000367597471 293088646 /nfs/dbraw/zinc/08/86/46/293088646.db2.gz RZHUEPVIISHZEH-SFHVURJKSA-N 1 0 313.445 3.416 10 0 DGAERO C/C(=C\c1ccccc1)C[N@@H+](C)C1CCN(c2cnccn2)CC1 ZINC000370043951 293151721 /nfs/dbraw/zinc/15/17/21/293151721.db2.gz XOKFNJNCBPCETM-SAPNQHFASA-N 1 0 322.456 3.481 10 0 DGAERO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cn1 ZINC000370664986 293183129 /nfs/dbraw/zinc/18/31/29/293183129.db2.gz MFMCFBDPMBQHCJ-QZTJIDSGSA-N 1 0 309.413 3.466 10 0 DGAERO c1cc2c(cc1C[N@@H+]1CCC[C@@H]3COCC[C@@H]31)OCCCCO2 ZINC000449049848 433705910 /nfs/dbraw/zinc/70/59/10/433705910.db2.gz SJMGSWDVAIORPK-SJORKVTESA-N 1 0 317.429 3.239 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)CC(C)(F)F)[C@@H]1c1cccs1 ZINC000373775955 293315082 /nfs/dbraw/zinc/31/50/82/293315082.db2.gz QVRMHVWYVGUWRR-BXUZGUMPSA-N 1 0 316.417 3.293 10 0 DGAERO COc1ccccc1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000373974414 293337228 /nfs/dbraw/zinc/33/72/28/293337228.db2.gz RTQCPQSYLJXAMX-UHFFFAOYSA-N 1 0 311.425 3.265 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1ccc(F)cn1)N(C)C(=O)OC(C)(C)C ZINC000283406729 433720576 /nfs/dbraw/zinc/72/05/76/433720576.db2.gz QRSFCCCPSNQYEW-VXGBXAGGSA-N 1 0 311.401 3.127 10 0 DGAERO CCc1nc2sccc2c(N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)n1 ZINC000301828366 433743413 /nfs/dbraw/zinc/74/34/13/433743413.db2.gz GFHSPHQGIRBYGW-OCCSQVGLSA-N 1 0 318.490 3.420 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCCN1CCO ZINC000449391882 433745569 /nfs/dbraw/zinc/74/55/69/433745569.db2.gz ITLXEEYCCFJZKK-WTQUMQLASA-N 1 0 322.880 3.180 10 0 DGAERO c1cc(CC[N@@H+]2CCOC[C@H]2CC2CCC2)cc2c1OCC2 ZINC000339769375 433771986 /nfs/dbraw/zinc/77/19/86/433771986.db2.gz ZUUHKKIBIRFWFG-GOSISDBHSA-N 1 0 301.430 3.055 10 0 DGAERO Cn1nccc1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293630632 433806878 /nfs/dbraw/zinc/80/68/78/433806878.db2.gz HNCIOBDPQUVMCF-JTQLQIEISA-N 1 0 312.236 3.021 10 0 DGAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)C1 ZINC000356998144 433810079 /nfs/dbraw/zinc/81/00/79/433810079.db2.gz AGDDPBWNQXYDNZ-NUJGCVRESA-N 1 0 300.446 3.376 10 0 DGAERO CC[N@H+](C)[C@H]1CCN(c2nc(C(F)F)nc3ccccc32)C1 ZINC000302778716 433861252 /nfs/dbraw/zinc/86/12/52/433861252.db2.gz QGEABTGNNRNIKP-NSHDSACASA-N 1 0 306.360 3.098 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000177953153 293692060 /nfs/dbraw/zinc/69/20/60/293692060.db2.gz OKTDAMPDBDOIKM-WBMJQRKESA-N 1 0 315.465 3.408 10 0 DGAERO C[S@](=O)C1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCC1 ZINC000436304233 433934130 /nfs/dbraw/zinc/93/41/30/433934130.db2.gz XUMBDFPDGPAZRD-ZWWNWMABSA-N 1 0 321.486 3.045 10 0 DGAERO Brc1cncc([C@H]([NH2+][C@@H]2CCCOC2)C2CC2)c1 ZINC000284320113 433886889 /nfs/dbraw/zinc/88/68/89/433886889.db2.gz AZODIIAUYZBVGO-ZIAGYGMSSA-N 1 0 311.223 3.064 10 0 DGAERO CC1(C)CCC[N@@H+]1CCNC(=O)CC/C=C/c1ccccc1 ZINC000457051314 433955739 /nfs/dbraw/zinc/95/57/39/433955739.db2.gz HSNNBZZEMCCLLB-IZZDOVSWSA-N 1 0 300.446 3.471 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000340210897 433983240 /nfs/dbraw/zinc/98/32/40/433983240.db2.gz XFMMQNYKPWAYOR-QZTJIDSGSA-N 1 0 302.462 3.198 10 0 DGAERO CC[C@@H]([NH2+]Cc1ncc(I)s1)C(C)C ZINC000285410568 433938432 /nfs/dbraw/zinc/93/84/32/433938432.db2.gz IWIVSGPMRBLETQ-MRVPVSSYSA-N 1 0 324.231 3.272 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)[C@H]1c1cccs1 ZINC000363251447 434004735 /nfs/dbraw/zinc/00/47/35/434004735.db2.gz DQROZLDFSZSIAK-GWCFXTLKSA-N 1 0 320.380 3.200 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)[C@@H]1c1cccs1 ZINC000363251448 434005919 /nfs/dbraw/zinc/00/59/19/434005919.db2.gz DQROZLDFSZSIAK-GXFFZTMASA-N 1 0 320.380 3.200 10 0 DGAERO COc1ccc(F)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000294155988 434019111 /nfs/dbraw/zinc/01/91/11/434019111.db2.gz IIFMGZWQABRAOD-HNNXBMFYSA-N 1 0 303.381 3.004 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000395252673 293838479 /nfs/dbraw/zinc/83/84/79/293838479.db2.gz XBOJNPWHHKJNEV-WDEREUQCSA-N 1 0 311.223 3.084 10 0 DGAERO CC(C)n1cc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)cn1 ZINC000397477926 293846429 /nfs/dbraw/zinc/84/64/29/293846429.db2.gz XKJVLQHQWBZGJZ-UHFFFAOYSA-N 1 0 324.469 3.247 10 0 DGAERO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)O1 ZINC000398059673 293851520 /nfs/dbraw/zinc/85/15/20/293851520.db2.gz FMXUCLWGMWBVBF-KOLCDFICSA-N 1 0 302.187 3.245 10 0 DGAERO CC(C)CN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000363556380 434084659 /nfs/dbraw/zinc/08/46/59/434084659.db2.gz BKHHGJXPGFVURK-GDBMZVCRSA-N 1 0 323.506 3.428 10 0 DGAERO CCCC[N@@H+](Cc1ccccc1F)C[C@H]1CCNC(=O)CC1 ZINC000450322544 434102359 /nfs/dbraw/zinc/10/23/59/434102359.db2.gz ZKHNWVPKCVQJAQ-OAHLLOKOSA-N 1 0 306.425 3.344 10 0 DGAERO CCC1(CC)CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000309818520 434102642 /nfs/dbraw/zinc/10/26/42/434102642.db2.gz CVDXVZIHOWXDIE-SFHVURJKSA-N 1 0 305.462 3.466 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459546514 293981805 /nfs/dbraw/zinc/98/18/05/293981805.db2.gz RBELPNUWTRPXHW-IRXDYDNUSA-N 1 0 305.462 3.277 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000313030074 434118762 /nfs/dbraw/zinc/11/87/62/434118762.db2.gz WVUXDPUNXURWSB-NSHDSACASA-N 1 0 320.177 3.242 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000313030072 434118834 /nfs/dbraw/zinc/11/88/34/434118834.db2.gz WVUXDPUNXURWSB-LLVKDONJSA-N 1 0 320.177 3.242 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497121731 294004087 /nfs/dbraw/zinc/00/40/87/294004087.db2.gz AHQSWOXQUDCTDP-UKMLZYKCSA-N 1 0 308.466 3.268 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2COCC2(C)C)CCN1Cc1ccccc1 ZINC000313130039 434123150 /nfs/dbraw/zinc/12/31/50/434123150.db2.gz YAZIGRIPSSCVBH-KBAYOESNSA-N 1 0 302.462 3.054 10 0 DGAERO C[C@H](c1csnn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000450351253 434123906 /nfs/dbraw/zinc/12/39/06/434123906.db2.gz UKXZARLDZHXLGN-CABCVRRESA-N 1 0 308.495 3.187 10 0 DGAERO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccccc1Br ZINC000313304631 434128904 /nfs/dbraw/zinc/12/89/04/434128904.db2.gz RDVRTWJEEXEGPS-LLVKDONJSA-N 1 0 308.223 3.076 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000506312162 294268756 /nfs/dbraw/zinc/26/87/56/294268756.db2.gz XUCUQKRYVJKDNL-INIZCTEOSA-N 1 0 317.429 3.393 10 0 DGAERO c1ccc(N2CC[C@@H]([NH2+][C@H]3CCc4ccccc4OC3)C2)cc1 ZINC000511018474 294399054 /nfs/dbraw/zinc/39/90/54/294399054.db2.gz QFLGJMPIUVVKTJ-MSOLQXFVSA-N 1 0 308.425 3.249 10 0 DGAERO c1ccc2nc(CC[NH2+]Cc3ccc4c(c3)OCCO4)ccc2c1 ZINC000340445211 434136597 /nfs/dbraw/zinc/13/65/97/434136597.db2.gz PFDHUWSUWMXNMA-UHFFFAOYSA-N 1 0 320.392 3.338 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000286011132 434136877 /nfs/dbraw/zinc/13/68/77/434136877.db2.gz YYYRUXDOBQZBKV-OYEVUCPFSA-N 1 0 316.420 3.314 10 0 DGAERO C[C@H](CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000363792696 434149375 /nfs/dbraw/zinc/14/93/75/434149375.db2.gz XHFRJYIZVUMXSK-KBAYOESNSA-N 1 0 300.446 3.265 10 0 DGAERO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000357735637 434156878 /nfs/dbraw/zinc/15/68/78/434156878.db2.gz YUEDNCIVJIVNGF-AWEZNQCLSA-N 1 0 306.475 3.409 10 0 DGAERO c1cn(-c2csc(C[NH+]3CCC(OCC4CC4)CC3)c2)cn1 ZINC000346187920 434186596 /nfs/dbraw/zinc/18/65/96/434186596.db2.gz BVTDXMBFNAMSGM-UHFFFAOYSA-N 1 0 317.458 3.325 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2OCCc3ccccc32)n(-c2ccccc2)n1 ZINC000363936797 434188639 /nfs/dbraw/zinc/18/86/39/434188639.db2.gz KQSMYOGUANHBCQ-FQEVSTJZSA-N 1 0 319.408 3.276 10 0 DGAERO CN(C)C1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCC1 ZINC000437106951 434216181 /nfs/dbraw/zinc/21/61/81/434216181.db2.gz JIFBLNGOYXVMGN-SJLPKXTDSA-N 1 0 302.462 3.228 10 0 DGAERO CCn1cncc1C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379618513 434259076 /nfs/dbraw/zinc/25/90/76/434259076.db2.gz ACMXXJCBOADOGR-SFHVURJKSA-N 1 0 312.461 3.047 10 0 DGAERO O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000437427632 434263184 /nfs/dbraw/zinc/26/31/84/434263184.db2.gz CESCOZGFRHLIQV-FRFSOERESA-N 1 0 318.848 3.329 10 0 DGAERO CCC[N@H+](C)CC(=O)N1CC[C@H](C)C[C@H]1c1ccc(CC)o1 ZINC000437492650 434272379 /nfs/dbraw/zinc/27/23/79/434272379.db2.gz RNVDUMOHFMLGSP-HOCLYGCPSA-N 1 0 306.450 3.483 10 0 DGAERO COc1cccc([C@H](C)CCCC(=O)N(C)CCC[NH+](C)C)c1 ZINC000515766420 294576420 /nfs/dbraw/zinc/57/64/20/294576420.db2.gz RAEUYCLVBUCGAU-MRXNPFEDSA-N 1 0 320.477 3.379 10 0 DGAERO Fc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000378614639 434236330 /nfs/dbraw/zinc/23/63/30/434236330.db2.gz GTUYACIJGHBBHA-SJORKVTESA-N 1 0 311.404 3.464 10 0 DGAERO COc1cc([C@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)ccn1 ZINC000516444173 294607637 /nfs/dbraw/zinc/60/76/37/294607637.db2.gz DHYWJBWCBLDNMO-HNNXBMFYSA-N 1 0 322.412 3.186 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccnc(C#N)c1 ZINC000383082308 434281454 /nfs/dbraw/zinc/28/14/54/434281454.db2.gz FNNWVABJLZKVIX-KRWDZBQOSA-N 1 0 320.440 3.050 10 0 DGAERO C[C@@H]1CCN(Cc2ccnc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000383112897 434285044 /nfs/dbraw/zinc/28/50/44/434285044.db2.gz QOKGBJVSLFWMJP-QGZVFWFLSA-N 1 0 320.440 3.050 10 0 DGAERO C[N@H+](CCCOCc1ccccc1)C[C@@H](O)CC1CCCC1 ZINC000383719781 434286085 /nfs/dbraw/zinc/28/60/85/434286085.db2.gz FXFWHBMHSSXTGB-IBGZPJMESA-N 1 0 305.462 3.466 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000295315870 434303348 /nfs/dbraw/zinc/30/33/48/434303348.db2.gz YRVVCMUPULBWBR-OPQQBVKSSA-N 1 0 314.223 3.113 10 0 DGAERO Cc1c(Cl)c(C[N@H+]2CC[C@@H](CO)[C@H]2C)nc2ccccc12 ZINC000386320834 434307402 /nfs/dbraw/zinc/30/74/02/434307402.db2.gz UEZRMPFFKPZJKT-OLZOCXBDSA-N 1 0 304.821 3.399 10 0 DGAERO OC[C@H]([NH2+]Cc1cccc(Br)c1)C1CCCCC1 ZINC000386344041 434308066 /nfs/dbraw/zinc/30/80/66/434308066.db2.gz LYMJQBOAYVJRCT-HNNXBMFYSA-N 1 0 312.251 3.480 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000386289498 434308868 /nfs/dbraw/zinc/30/88/68/434308868.db2.gz PGBLIVSMRPBOKH-BXUZGUMPSA-N 1 0 316.214 3.181 10 0 DGAERO COC[C@@H](C)C[N@H+](C)Cc1cc(OC)ccc1Br ZINC000386515763 434313729 /nfs/dbraw/zinc/31/37/29/434313729.db2.gz MWLNMBHJVCJCTL-NSHDSACASA-N 1 0 316.239 3.172 10 0 DGAERO c1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c2c(c1)OCCO2 ZINC000353663174 434318504 /nfs/dbraw/zinc/31/85/04/434318504.db2.gz CBUFDBFSTRTMGL-QGZVFWFLSA-N 1 0 317.429 3.381 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000450662119 434322714 /nfs/dbraw/zinc/32/27/14/434322714.db2.gz HMMMIHWFRHEEQT-APPDUMDISA-N 1 0 318.442 3.109 10 0 DGAERO c1cncc(CNCCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000423190644 434277838 /nfs/dbraw/zinc/27/78/38/434277838.db2.gz RGOAEKHGMBJXAY-ICSRJNTNSA-N 1 0 324.472 3.272 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000366218806 434362538 /nfs/dbraw/zinc/36/25/38/434362538.db2.gz NEAOJYXUKPQJHV-OKDNKWQNSA-N 1 0 303.446 3.419 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000358173319 434365010 /nfs/dbraw/zinc/36/50/10/434365010.db2.gz WGHLCBQGTWIYNB-UYAOXDASSA-N 1 0 313.489 3.064 10 0 DGAERO COC[C@@H](C)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390655849 434366434 /nfs/dbraw/zinc/36/64/34/434366434.db2.gz KSKKVFHLBKIXLX-FUHWJXTLSA-N 1 0 304.478 3.159 10 0 DGAERO COC[C@H](C)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390655826 434366555 /nfs/dbraw/zinc/36/65/55/434366555.db2.gz KSKKVFHLBKIXLX-AEFFLSMTSA-N 1 0 304.478 3.159 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390804105 434371751 /nfs/dbraw/zinc/37/17/51/434371751.db2.gz WCCKSPRPQAFKKQ-YYTXDEJISA-N 1 0 312.457 3.059 10 0 DGAERO CCc1ccc(-c2noc([C@H](C)[NH2+]CCC[C@@H](C)O)n2)cc1 ZINC000450738293 434379964 /nfs/dbraw/zinc/37/99/64/434379964.db2.gz NYZFGCHNOWSKRI-OLZOCXBDSA-N 1 0 303.406 3.111 10 0 DGAERO c1cnn(-c2cccc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)c2)c1 ZINC000353745198 434388033 /nfs/dbraw/zinc/38/80/33/434388033.db2.gz HRVVBDRISHFXFQ-IBGZPJMESA-N 1 0 311.429 3.265 10 0 DGAERO Brc1sccc1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000388544410 434335215 /nfs/dbraw/zinc/33/52/15/434335215.db2.gz FAUHGTIRKQULPW-VXGBXAGGSA-N 1 0 315.280 3.227 10 0 DGAERO COC[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(F)cc1 ZINC000450681306 434335459 /nfs/dbraw/zinc/33/54/59/434335459.db2.gz MCXMHWUCTDNFRP-LJQANCHMSA-N 1 0 316.420 3.235 10 0 DGAERO CO[C@H]1CN(Cc2ccsc2Br)CC[C@@H]1C ZINC000388987894 434341965 /nfs/dbraw/zinc/34/19/65/434341965.db2.gz XJVGGULYUKSRJJ-ONGXEEELSA-N 1 0 304.253 3.367 10 0 DGAERO CCN1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000389208464 434344366 /nfs/dbraw/zinc/34/43/66/434344366.db2.gz BJRWXAHLTJGENE-NHYWBVRUSA-N 1 0 309.251 3.120 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@H](C)c2sccc2Br)C1 ZINC000389167641 434344955 /nfs/dbraw/zinc/34/49/55/434344955.db2.gz MXTROQOJVPOFIF-NXEZZACHSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000389848213 434350095 /nfs/dbraw/zinc/35/00/95/434350095.db2.gz RZMIZCFJIFQQBL-QPUJVOFHSA-N 1 0 302.205 3.113 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366544047 434447184 /nfs/dbraw/zinc/44/71/84/434447184.db2.gz KFLMIGJIFIXMJQ-QGZVFWFLSA-N 1 0 311.429 3.325 10 0 DGAERO CC(C)(C)C[C@H](CO)[NH2+]Cc1ccsc1Br ZINC000393417986 434395683 /nfs/dbraw/zinc/39/56/83/434395683.db2.gz BPCXJOBPLNBEMU-SNVBAGLBSA-N 1 0 306.269 3.397 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353749569 434397512 /nfs/dbraw/zinc/39/75/12/434397512.db2.gz VNSNKJXSFOFCSJ-LJQANCHMSA-N 1 0 311.429 3.469 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353749568 434397737 /nfs/dbraw/zinc/39/77/37/434397737.db2.gz VNSNKJXSFOFCSJ-IBGZPJMESA-N 1 0 311.429 3.469 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000450774198 434404778 /nfs/dbraw/zinc/40/47/78/434404778.db2.gz NQTKUBNCZHOJNW-GTNSWQLSSA-N 1 0 305.805 3.484 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000394905950 434406161 /nfs/dbraw/zinc/40/61/61/434406161.db2.gz JMLYRPGIUUVBGT-YPMHNXCESA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@@H](C)O1 ZINC000395212027 434415804 /nfs/dbraw/zinc/41/58/04/434415804.db2.gz JLYQWEWSRLXVEL-KKFJDGPESA-N 1 0 302.187 3.244 10 0 DGAERO C[C@H](O)CC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000450824942 434426148 /nfs/dbraw/zinc/42/61/48/434426148.db2.gz VECQQMJKPNLZDP-LBPRGKRZSA-N 1 0 312.251 3.432 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000366480352 434430451 /nfs/dbraw/zinc/43/04/51/434430451.db2.gz HDLYJRJCBQHYSO-SJLPKXTDSA-N 1 0 322.493 3.106 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)[C@H](C)O1 ZINC000295677316 434430853 /nfs/dbraw/zinc/43/08/53/434430853.db2.gz KPKWGNIJDKHJCH-VYDRJQSISA-N 1 0 302.462 3.195 10 0 DGAERO COc1cccc(CC[NH2+]Cc2ccc3nc(C)ccc3c2)n1 ZINC000438195985 434433383 /nfs/dbraw/zinc/43/33/83/434433383.db2.gz CKZQYOBDJYUDHK-UHFFFAOYSA-N 1 0 307.397 3.279 10 0 DGAERO c1ccc(OCCCC[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000438194976 434433925 /nfs/dbraw/zinc/43/39/25/434433925.db2.gz YFBUUNBOSZXJOF-SJLPKXTDSA-N 1 0 321.486 3.490 10 0 DGAERO Cc1ncsc1C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C ZINC000397452485 434434966 /nfs/dbraw/zinc/43/49/66/434434966.db2.gz VHHGHZUGSQEQDO-UHFFFAOYSA-N 1 0 313.467 3.235 10 0 DGAERO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000450887705 434464607 /nfs/dbraw/zinc/46/46/07/434464607.db2.gz JIEBSEJLXGRJAR-QHSBEEBCSA-N 1 0 301.352 3.424 10 0 DGAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)s3)C[C@H]2C1 ZINC000398784033 434466258 /nfs/dbraw/zinc/46/62/58/434466258.db2.gz OAQAJDDLWTYAKB-GMTAPVOTSA-N 1 0 316.264 3.103 10 0 DGAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000423640443 434504964 /nfs/dbraw/zinc/50/49/64/434504964.db2.gz KEICUUVSNKONME-BXUZGUMPSA-N 1 0 312.866 3.160 10 0 DGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)CC/C=C\c2ccccc2)C1 ZINC000458159848 434505102 /nfs/dbraw/zinc/50/51/02/434505102.db2.gz FHNIVVRKRJRGBQ-CXKPLTABSA-N 1 0 300.446 3.328 10 0 DGAERO COc1cc(C[NH2+]CCCCOCc2ccccc2)sn1 ZINC000399298377 434475409 /nfs/dbraw/zinc/47/54/09/434475409.db2.gz IDOIFIMDFFSSMH-UHFFFAOYSA-N 1 0 306.431 3.238 10 0 DGAERO C[C@@H]([NH2+]CCOC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400803902 434491818 /nfs/dbraw/zinc/49/18/18/434491818.db2.gz VLDPKHXDUVBICM-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO c1ccc(CC[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)CCO2)cc1 ZINC000348803585 434501174 /nfs/dbraw/zinc/50/11/74/434501174.db2.gz BWPFENRRCKICKS-RBUKOAKNSA-N 1 0 303.446 3.279 10 0 DGAERO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000404190499 434507634 /nfs/dbraw/zinc/50/76/34/434507634.db2.gz IXCYAPFGIIBAMS-QMTHXVAHSA-N 1 0 304.217 3.186 10 0 DGAERO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(F)c(Cl)cc1Cl ZINC000404194273 434509266 /nfs/dbraw/zinc/50/92/66/434509266.db2.gz OOHSLPZRTIYZIW-LKFCYVNXSA-N 1 0 322.207 3.325 10 0 DGAERO CN1CCN(C(=O)c2ccoc2C2CC2)[C@@H](c2ccccc2)C1 ZINC000366817640 434518273 /nfs/dbraw/zinc/51/82/73/434518273.db2.gz HJVSBJCMNHJSJP-QGZVFWFLSA-N 1 0 310.397 3.286 10 0 DGAERO CCO[C@@H]1CN([C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405793485 434525783 /nfs/dbraw/zinc/52/57/83/434525783.db2.gz PKZFMKAEXMRCGM-JVLSTEMRSA-N 1 0 317.260 3.350 10 0 DGAERO c1nc2c(c(NC3CC[NH+](CC4CC4)CC3)n1)CCCCC2 ZINC000439115168 434567597 /nfs/dbraw/zinc/56/75/97/434567597.db2.gz NQIBRNILWDWZGT-UHFFFAOYSA-N 1 0 300.450 3.032 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]Cc2n[nH]cc2Br)CC(C)(C)C1 ZINC000525709416 295027635 /nfs/dbraw/zinc/02/76/35/295027635.db2.gz ZPAAAQQBKMQFOA-VHSXEESVSA-N 1 0 300.244 3.477 10 0 DGAERO C[N@H+](CCOc1cc(F)cc(Br)c1)CC1CC1 ZINC000525833027 295036409 /nfs/dbraw/zinc/03/64/09/295036409.db2.gz CUKDMDUPDTYTEY-UHFFFAOYSA-N 1 0 302.187 3.309 10 0 DGAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000526117039 295059039 /nfs/dbraw/zinc/05/90/39/295059039.db2.gz PWFBDVFMVRDFQQ-XMTFNYHQSA-N 1 0 321.486 3.268 10 0 DGAERO O=C(CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)Nc1ccccn1 ZINC000527348217 295093273 /nfs/dbraw/zinc/09/32/73/295093273.db2.gz LBPNTWLFINXGLY-DLBZAZTESA-N 1 0 309.413 3.336 10 0 DGAERO c1ccc2c(c1)CCCN2CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000527374140 295095420 /nfs/dbraw/zinc/09/54/20/295095420.db2.gz CVLXPLLUCOLFHB-HXUWFJFHSA-N 1 0 314.473 3.330 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000527463769 295097327 /nfs/dbraw/zinc/09/73/27/295097327.db2.gz XPAJVEYBUSKSEG-DOTOQJQBSA-N 1 0 321.440 3.055 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000527463772 295097425 /nfs/dbraw/zinc/09/74/25/295097425.db2.gz XPAJVEYBUSKSEG-WBVHZDCISA-N 1 0 321.440 3.055 10 0 DGAERO COc1ccc(C)cc1C1(C[NH2+][C@H](C)C2CC2)CCOCC1 ZINC000481539140 295104670 /nfs/dbraw/zinc/10/46/70/295104670.db2.gz CQJSUSBCRRNAAD-OAHLLOKOSA-N 1 0 303.446 3.440 10 0 DGAERO Brc1sccc1C[NH2+]CCc1cscn1 ZINC000527659888 295111504 /nfs/dbraw/zinc/11/15/04/295111504.db2.gz BQASUXYKXYJIQN-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@@H]1CCOC1 ZINC000527664175 295112074 /nfs/dbraw/zinc/11/20/74/295112074.db2.gz BSQJJZIDBIRXCD-PSASIEDQSA-N 1 0 320.177 3.242 10 0 DGAERO Fc1c(Br)ccc(C[NH2+][C@H]2CCCOCC2)c1F ZINC000527685144 295115186 /nfs/dbraw/zinc/11/51/86/295115186.db2.gz RSTSIOXNNSEHBP-JTQLQIEISA-N 1 0 320.177 3.386 10 0 DGAERO Brc1sccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527735452 295122804 /nfs/dbraw/zinc/12/28/04/295122804.db2.gz COWAILZCBISPHE-SNVBAGLBSA-N 1 0 304.253 3.417 10 0 DGAERO c1ccc(CCN2CCC([NH2+]CC[C@H]3CCCOC3)CC2)cc1 ZINC000527740537 295123648 /nfs/dbraw/zinc/12/36/48/295123648.db2.gz VDPHKEJMHVEVDN-LJQANCHMSA-N 1 0 316.489 3.100 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@H]3CCN3C3CCCCC3)o2)n[nH]1 ZINC000527750882 295125359 /nfs/dbraw/zinc/12/53/59/295125359.db2.gz CNGJFJFCLIKMGG-OAHLLOKOSA-N 1 0 314.433 3.166 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)[C@@H](C)O1 ZINC000527790771 295130874 /nfs/dbraw/zinc/13/08/74/295130874.db2.gz KNRPHROGOUPYDT-SOCHQFKDSA-N 1 0 320.177 3.383 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000527805640 295133358 /nfs/dbraw/zinc/13/33/58/295133358.db2.gz VEPXXGQFBKXJNP-LFNDISMMSA-N 1 0 314.223 3.056 10 0 DGAERO c1oc(-c2ccccc2)nc1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527804748 295133365 /nfs/dbraw/zinc/13/33/65/295133365.db2.gz AYPZUGKTVUCQSP-GOSISDBHSA-N 1 0 311.429 3.448 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cccc(O)c1Br ZINC000527805643 295133437 /nfs/dbraw/zinc/13/34/37/295133437.db2.gz VEPXXGQFBKXJNP-RZGXBDKHSA-N 1 0 314.223 3.056 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000527804504 295133607 /nfs/dbraw/zinc/13/36/07/295133607.db2.gz QKAXMAQGIPNGPA-DNEVWPOVSA-N 1 0 302.462 3.051 10 0 DGAERO c1ccc2c(c1)CCC(C[NH2+]C1CCC3(CC1)OCCO3)CC2 ZINC000527935495 295153335 /nfs/dbraw/zinc/15/33/35/295153335.db2.gz ZCYOPFQPVJMKLK-UHFFFAOYSA-N 1 0 315.457 3.457 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nccc3ccccc32)[C@@H]1SC ZINC000459397339 434575532 /nfs/dbraw/zinc/57/55/32/434575532.db2.gz HIPUMDUNSQXMHW-UAGQMJEPSA-N 1 0 302.443 3.233 10 0 DGAERO c1nc([C@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)C2CCCCC2)n[nH]1 ZINC000527999141 295162954 /nfs/dbraw/zinc/16/29/54/295162954.db2.gz FNROHDHLAWJJNN-DLBZAZTESA-N 1 0 317.481 3.033 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)C1 ZINC000528004251 295165065 /nfs/dbraw/zinc/16/50/65/295165065.db2.gz WHLAMUBYSXMRLR-HOCLYGCPSA-N 1 0 309.457 3.242 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc2c(s1)CCCC2 ZINC000261669773 295215235 /nfs/dbraw/zinc/21/52/35/295215235.db2.gz PDGFMEFMOFDRAW-HFZWIWRYSA-N 1 0 318.486 3.263 10 0 DGAERO c1ccc(OC[C@@H]2CCC[N@@H+]2Cc2cnc(C3CC3)nc2)cc1 ZINC000459579099 434616556 /nfs/dbraw/zinc/61/65/56/434616556.db2.gz OBSIOEHACUHTHQ-KRWDZBQOSA-N 1 0 309.413 3.397 10 0 DGAERO c1cc(COc2ccc(C[NH+]3CC4(C3)CCOCC4)cc2)ccn1 ZINC000459623908 434636636 /nfs/dbraw/zinc/63/66/36/434636636.db2.gz RNOVYWGHNBYEPK-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO c1ccc(OCc2ccncc2)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000459624554 434637156 /nfs/dbraw/zinc/63/71/56/434637156.db2.gz TUFWIQZNTQKYLM-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000371411007 434697853 /nfs/dbraw/zinc/69/78/53/434697853.db2.gz VOOORNSEUQMABD-INIZCTEOSA-N 1 0 309.417 3.041 10 0 DGAERO c1ccc2c(c1)OC[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)O2 ZINC000360658182 434659881 /nfs/dbraw/zinc/65/98/81/434659881.db2.gz RUBDBFFDADKFAU-VQIMIIECSA-N 1 0 310.397 3.352 10 0 DGAERO O[C@H](CC[NH2+]Cc1c(Cl)oc2ccccc21)C(F)(F)F ZINC000349313020 434668922 /nfs/dbraw/zinc/66/89/22/434668922.db2.gz FZRIWOYJHOXMSP-LLVKDONJSA-N 1 0 307.699 3.489 10 0 DGAERO O[C@H](CC[NH2+]C1CC(c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000349315588 434671948 /nfs/dbraw/zinc/67/19/48/434671948.db2.gz LLOTVWCDWNVQNM-KGPNIALWSA-N 1 0 307.743 3.489 10 0 DGAERO Cc1csc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000440147902 434680251 /nfs/dbraw/zinc/68/02/51/434680251.db2.gz QQOIENLMXYEKDT-JSGCOSHPSA-N 1 0 307.463 3.036 10 0 DGAERO c1cc([C@H]2CCC[N@H+]2CCOCC2CCC2)cc2c1OCO2 ZINC000419196037 434747421 /nfs/dbraw/zinc/74/74/21/434747421.db2.gz AKNBCSBHSXFQOQ-MRXNPFEDSA-N 1 0 303.402 3.369 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CC=C(C(C)(C)C)CC2)CC1 ZINC000460229116 434750732 /nfs/dbraw/zinc/75/07/32/434750732.db2.gz KBFRFJUPDJLOEW-UHFFFAOYSA-N 1 0 305.466 3.026 10 0 DGAERO CCn1c2cccc(F)c2nc1C[NH2+]C1(CCO)CCCCC1 ZINC000440888385 434751374 /nfs/dbraw/zinc/75/13/74/434751374.db2.gz MZUVOYDJJNJIQY-UHFFFAOYSA-N 1 0 319.424 3.370 10 0 DGAERO O=C(NC[C@@H]1CCCC1(F)F)c1cccc(C[NH+]2CCCC2)c1 ZINC000452848475 434737333 /nfs/dbraw/zinc/73/73/33/434737333.db2.gz PGTPBDGWXYLDMD-INIZCTEOSA-N 1 0 322.399 3.448 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000262129834 297108527 /nfs/dbraw/zinc/10/85/27/297108527.db2.gz LJXGAGXEBAYSCU-PJWFHGOCSA-N 1 0 304.478 3.097 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCC23CCC3)C1 ZINC000445262045 297226761 /nfs/dbraw/zinc/22/67/61/297226761.db2.gz JXJCOFYQZXHHSK-HZPDHXFCSA-N 1 0 321.509 3.471 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2ccccc2OCC2CC2)CCOCC1 ZINC000453107423 434802697 /nfs/dbraw/zinc/80/26/97/434802697.db2.gz HAJKYSSPYQFUHX-OAHLLOKOSA-N 1 0 319.445 3.149 10 0 DGAERO COC1([C@@H](C)[NH2+]CC(C)(C)c2cccc(F)c2)CCOCC1 ZINC000453109119 434803463 /nfs/dbraw/zinc/80/34/63/434803463.db2.gz MCTIAQCUINSHGT-CQSZACIVSA-N 1 0 309.425 3.277 10 0 DGAERO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)c1nc(C)cs1)CO2 ZINC000453081618 434795773 /nfs/dbraw/zinc/79/57/73/434795773.db2.gz APDRVHCWTUKZTE-DGCLKSJQSA-N 1 0 304.415 3.114 10 0 DGAERO COC[C@@H]1CCCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000372097511 434796907 /nfs/dbraw/zinc/79/69/07/434796907.db2.gz ZXNAQHPROBUYNE-GOSISDBHSA-N 1 0 313.445 3.180 10 0 DGAERO CC[C@@H](C[NH2+][C@@H](C)C1(OC)CCOCC1)Oc1cccc(C)c1 ZINC000453150973 434817181 /nfs/dbraw/zinc/81/71/81/434817181.db2.gz NEQXVJRNDQQCSN-IRXDYDNUSA-N 1 0 321.461 3.326 10 0 DGAERO CC[C@H](C[NH2+][C@H](C)C1(OC)CCOCC1)Oc1cccc(C)c1 ZINC000453150971 434817778 /nfs/dbraw/zinc/81/77/78/434817778.db2.gz NEQXVJRNDQQCSN-IAGOWNOFSA-N 1 0 321.461 3.326 10 0 DGAERO O=C(/C=C/c1c(Cl)cccc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000372424346 434826146 /nfs/dbraw/zinc/82/61/46/434826146.db2.gz DABUBMRCCKPUBF-MLRMMBSGSA-N 1 0 313.228 3.265 10 0 DGAERO c1nnc([C@@H]([NH2+]CCCC2CCOCC2)C2CCCCC2)[nH]1 ZINC000453243728 434837909 /nfs/dbraw/zinc/83/79/09/434837909.db2.gz ZQDAUVGMWNCTFZ-INIZCTEOSA-N 1 0 306.454 3.223 10 0 DGAERO COC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000372597529 434842218 /nfs/dbraw/zinc/84/22/18/434842218.db2.gz ZYWNSCDXJXLMBR-SLEUVZQESA-N 1 0 318.244 3.226 10 0 DGAERO Cc1cc2sc(NC(=O)N(C)CCC[NH+](C)C)nc2cc1F ZINC000521344361 434880831 /nfs/dbraw/zinc/88/08/31/434880831.db2.gz FVHRXDXSGVULKD-UHFFFAOYSA-N 1 0 324.425 3.159 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000461956385 434893926 /nfs/dbraw/zinc/89/39/26/434893926.db2.gz KRZZAIXIGXETHG-CQSZACIVSA-N 1 0 319.440 3.328 10 0 DGAERO c1ccc(COC2CC([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)C2)cc1 ZINC000491863206 434871809 /nfs/dbraw/zinc/87/18/09/434871809.db2.gz DSWNBAGTYIDJGV-DUBPFDJUSA-N 1 0 301.430 3.281 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000523451914 434950500 /nfs/dbraw/zinc/95/05/00/434950500.db2.gz WZFDASMGRUPBNP-FUHWJXTLSA-N 1 0 317.477 3.080 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@]2(C)CCCOC2)cc1 ZINC000462792694 434929089 /nfs/dbraw/zinc/92/90/89/434929089.db2.gz QBXSLXQUQDBQLQ-SFHVURJKSA-N 1 0 305.418 3.301 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@]2(C)CCCOC2)cc1 ZINC000462792693 434929386 /nfs/dbraw/zinc/92/93/86/434929386.db2.gz QBXSLXQUQDBQLQ-GOSISDBHSA-N 1 0 305.418 3.301 10 0 DGAERO CCC[C@](C)(CO)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462789960 434929794 /nfs/dbraw/zinc/92/97/94/434929794.db2.gz HSDZRLJAYKCRKJ-GOSISDBHSA-N 1 0 307.434 3.283 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H](C)O ZINC000462799507 434929958 /nfs/dbraw/zinc/92/99/58/434929958.db2.gz ULYVXCPYHOUZIN-KGLIPLIRSA-N 1 0 307.434 3.139 10 0 DGAERO CC[N@H+](C)[C@H](C(=O)N1C[C@@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000530931465 435061363 /nfs/dbraw/zinc/06/13/63/435061363.db2.gz KMUIZSHFYBUHAD-BZSNNMDCSA-N 1 0 300.446 3.328 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 ZINC000578341426 435078128 /nfs/dbraw/zinc/07/81/28/435078128.db2.gz MKNPUFUPVYGALZ-VVLHAWIVSA-N 1 0 320.864 3.495 10 0 DGAERO O=C(NCCCC1CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000531300826 435082845 /nfs/dbraw/zinc/08/28/45/435082845.db2.gz NFORBDWCGXWMTR-GOSISDBHSA-N 1 0 300.446 3.348 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCc1cccc2ccccc21 ZINC000466668407 435086962 /nfs/dbraw/zinc/08/69/62/435086962.db2.gz YSHCZTULAXPRHH-IYBDPMFKSA-N 1 0 310.441 3.371 10 0 DGAERO C[C@@H](Cc1ccsc1)[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000557275998 435049383 /nfs/dbraw/zinc/04/93/83/435049383.db2.gz AECWZDJKOUTLDG-DZGCQCFKSA-N 1 0 303.427 3.499 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000465910833 435050444 /nfs/dbraw/zinc/05/04/44/435050444.db2.gz OWRCUXFXCIMLFF-HLLBOEOZSA-N 1 0 309.498 3.232 10 0 DGAERO O=C(c1cccc2ncccc21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000114686143 304560110 /nfs/dbraw/zinc/56/01/10/304560110.db2.gz PYAQAWHHLQNFAQ-INIZCTEOSA-N 1 0 323.440 3.325 10 0 DGAERO CC(C)C[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531677771 435108884 /nfs/dbraw/zinc/10/88/84/435108884.db2.gz VYQWQVMZMRFXBT-JKSUJKDBSA-N 1 0 309.523 3.061 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]CC3=CCCOC3)CC23CC3)cc1 ZINC000579836372 435185293 /nfs/dbraw/zinc/18/52/93/435185293.db2.gz HRCLSTIGQRNPHD-IBGZPJMESA-N 1 0 312.457 3.120 10 0 DGAERO COC(=O)C(C)(C)CC[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000475285738 435187432 /nfs/dbraw/zinc/18/74/32/435187432.db2.gz HGFANAMQGVNQFB-UHFFFAOYSA-N 1 0 318.461 3.082 10 0 DGAERO CC(=O)c1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1C ZINC000579371607 435150976 /nfs/dbraw/zinc/15/09/76/435150976.db2.gz SFAWYBAAMYJWQI-CZUORRHYSA-N 1 0 317.433 3.144 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 ZINC000474661507 435155581 /nfs/dbraw/zinc/15/55/81/435155581.db2.gz YBQRBPWPZZKNPC-KSSFIOAISA-N 1 0 318.417 3.397 10 0 DGAERO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCc2cccc(OC)n2)cc1 ZINC000474802633 435162283 /nfs/dbraw/zinc/16/22/83/435162283.db2.gz RXRRMOVCWFWOAO-GJZGRUSLSA-N 1 0 314.429 3.423 10 0 DGAERO CCN(C(=O)N[C@H](C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475009342 435170985 /nfs/dbraw/zinc/17/09/85/435170985.db2.gz XZFFUSJJMZUNOW-CRAIPNDOSA-N 1 0 315.461 3.091 10 0 DGAERO Cc1cc(C(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c(C)n1C ZINC000532525118 435174104 /nfs/dbraw/zinc/17/41/04/435174104.db2.gz YILPREZUXXWCPJ-ZDUSSCGKSA-N 1 0 314.429 3.093 10 0 DGAERO C[C@@H]1C[C@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533640233 435250061 /nfs/dbraw/zinc/25/00/61/435250061.db2.gz QNHAEIUPOSLZKI-ZJUUUORDSA-N 1 0 311.216 3.320 10 0 DGAERO CN1CC[C@@H](C[NH2+]CCc2ccccc2F)[C@@H]1c1cccnc1 ZINC000583623954 435244231 /nfs/dbraw/zinc/24/42/31/435244231.db2.gz YSGKTVFSPRTOLM-HKUYNNGSSA-N 1 0 313.420 3.046 10 0 DGAERO c1csc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583871465 435252494 /nfs/dbraw/zinc/25/24/94/435252494.db2.gz JILINVTYZBJQFJ-MRXNPFEDSA-N 1 0 313.470 3.430 10 0 DGAERO CCOc1c(Cl)cc(C[N@H+](C)C2CCOCC2)cc1OC ZINC000534344443 435284411 /nfs/dbraw/zinc/28/44/11/435284411.db2.gz LKZSSQVJTIUJRW-UHFFFAOYSA-N 1 0 313.825 3.358 10 0 DGAERO CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccc(C)cc1 ZINC000479117690 435321518 /nfs/dbraw/zinc/32/15/18/435321518.db2.gz CDHWIQOSLQKGAJ-CYBMUJFWSA-N 1 0 304.463 3.316 10 0 DGAERO CN(CC1CC1)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511875453 435335189 /nfs/dbraw/zinc/33/51/89/435335189.db2.gz SYFULVVKOWRBTE-OTWHNJEPSA-N 1 0 312.457 3.123 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)nc1 ZINC000535851217 435358892 /nfs/dbraw/zinc/35/88/92/435358892.db2.gz MISJBSFUXODEDQ-OAHLLOKOSA-N 1 0 304.434 3.334 10 0 DGAERO CCOC(=O)COc1ccc(C[N@@H+]2C[C@H](C)CC2(C)C)cc1 ZINC000536669034 435402038 /nfs/dbraw/zinc/40/20/38/435402038.db2.gz XVNXEQPYUMXGSO-CQSZACIVSA-N 1 0 305.418 3.249 10 0 DGAERO CC(C)n1ccc([C@@H]2[NH2+]C[C@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC000536959341 435421346 /nfs/dbraw/zinc/42/13/46/435421346.db2.gz JEQMUDVRWVWCKB-YJBOKZPZSA-N 1 0 319.449 3.341 10 0 DGAERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2c(Br)cnn2C)[C@H]1C ZINC000481825290 435445165 /nfs/dbraw/zinc/44/51/65/435445165.db2.gz QHYKIOXXNNZRIJ-WOPDTQHZSA-N 1 0 314.271 3.345 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc2c1OCC2 ZINC000482165803 435454505 /nfs/dbraw/zinc/45/45/05/435454505.db2.gz BZSVEJCYHBBZKC-MSOLQXFVSA-N 1 0 301.430 3.055 10 0 DGAERO C[C@H](CC(=O)N(C)CCC[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000537215106 435431261 /nfs/dbraw/zinc/43/12/61/435431261.db2.gz PCXJMTOWLVKEEO-AWEZNQCLSA-N 1 0 310.869 3.319 10 0 DGAERO COc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000538267598 435489890 /nfs/dbraw/zinc/48/98/90/435489890.db2.gz LXKRHXQIUIYCEN-YJBOKZPZSA-N 1 0 311.429 3.413 10 0 DGAERO CCCCCOc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000538315439 435492666 /nfs/dbraw/zinc/49/26/66/435492666.db2.gz ZWAMXFAIKUNABR-UHFFFAOYSA-N 1 0 306.450 3.279 10 0 DGAERO Cc1nc(-c2cccs2)sc1C(=O)N(C)CCC[NH+](C)C ZINC000538316151 435493518 /nfs/dbraw/zinc/49/35/18/435493518.db2.gz VTIPGJCOWLBDMM-UHFFFAOYSA-N 1 0 323.487 3.204 10 0 DGAERO C[C@H](CCc1ccccc1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000483190848 435501591 /nfs/dbraw/zinc/50/15/91/435501591.db2.gz DZWVYXSMEUAZNL-VQIMIIECSA-N 1 0 303.446 3.278 10 0 DGAERO CCOC(=O)CCCCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000516949059 435564620 /nfs/dbraw/zinc/56/46/20/435564620.db2.gz FPOOTOJSRKLNNJ-UHFFFAOYSA-N 1 0 311.466 3.249 10 0 DGAERO c1ccc(OCCCCC[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000517031763 435570992 /nfs/dbraw/zinc/57/09/92/435570992.db2.gz ZQPYAZBWEQCMFA-SFHVURJKSA-N 1 0 321.486 3.444 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000569927642 435572787 /nfs/dbraw/zinc/57/27/87/435572787.db2.gz FDULIFMYMNTOLT-HXUWFJFHSA-N 1 0 314.473 3.390 10 0 DGAERO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]Cc2ccn(C)n2)cc1F ZINC000540145856 435588220 /nfs/dbraw/zinc/58/82/20/435588220.db2.gz ZLGDZSVFXRFAMK-WBVHZDCISA-N 1 0 317.408 3.384 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500185 435544933 /nfs/dbraw/zinc/54/49/33/435544933.db2.gz HOOWNPQGTCMDDM-VBSBHUPXSA-N 1 0 316.489 3.038 10 0 DGAERO c1cc(CN2CCC([NH2+]C[C@@H]3CC4CCC3CC4)CC2)ccn1 ZINC000517741208 435610631 /nfs/dbraw/zinc/61/06/31/435610631.db2.gz FEQDCMKVAPDPQU-KVZIAJEVSA-N 1 0 313.489 3.462 10 0 DGAERO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000486796847 435616896 /nfs/dbraw/zinc/61/68/96/435616896.db2.gz VGNGFFMGVDLYED-HIFRSBDPSA-N 1 0 318.417 3.254 10 0 DGAERO CC(=O)c1ccc(NC(=O)COc2cc(C)[nH+]c(C)c2C)cc1 ZINC000517959856 435620670 /nfs/dbraw/zinc/62/06/70/435620670.db2.gz BGZAUQAEDQCOCD-UHFFFAOYSA-N 1 0 312.369 3.227 10 0 DGAERO c1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]2CCOC2)cc1 ZINC000540410902 435599060 /nfs/dbraw/zinc/59/90/60/435599060.db2.gz FAUWREJEGSIWKN-ICSRJNTNSA-N 1 0 314.473 3.228 10 0 DGAERO COc1ccc(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)nc1 ZINC000570819066 435653554 /nfs/dbraw/zinc/65/35/54/435653554.db2.gz VKIPCDAFDXRGLB-AWEZNQCLSA-N 1 0 320.433 3.034 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]CCSc1ccccc1 ZINC000490533621 435660939 /nfs/dbraw/zinc/66/09/39/435660939.db2.gz GBLYSPWNFQODKH-UHFFFAOYSA-N 1 0 324.453 3.208 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H]3CC(C)=C[C@H](C)C3)[C@@H]2C1 ZINC000572269943 435804255 /nfs/dbraw/zinc/80/42/55/435804255.db2.gz YPOKRYDPKIECIJ-FLTXXLLZSA-N 1 0 304.478 3.215 10 0 DGAERO O=C1NCC[C@@H]1[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000179049700 304675370 /nfs/dbraw/zinc/67/53/70/304675370.db2.gz UHGCCGDYVHJYIE-HOTGVXAUSA-N 1 0 306.837 3.440 10 0 DGAERO c1csc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000520795560 435772252 /nfs/dbraw/zinc/77/22/52/435772252.db2.gz JBLDQRNGKXOHPI-RHSMWYFYSA-N 1 0 324.453 3.297 10 0 DGAERO c1csc([C@@H](Cc2ccncc2)[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000520795561 435774393 /nfs/dbraw/zinc/77/43/93/435774393.db2.gz JBLDQRNGKXOHPI-WMLDXEAASA-N 1 0 324.453 3.297 10 0 DGAERO Cc1cc(CC[NH2+][C@@H](C)c2ncc(Br)s2)on1 ZINC000552096341 435881963 /nfs/dbraw/zinc/88/19/63/435881963.db2.gz ZASBLNKTGHJUQB-QMMMGPOBSA-N 1 0 316.224 3.095 10 0 DGAERO C[NH2+][C@H](C)CNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000647033115 435936888 /nfs/dbraw/zinc/93/68/88/435936888.db2.gz ONXNWSIKLVWBGF-SSDOTTSWSA-N 1 0 300.786 3.032 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2nnc(C)n2C2CC2)C12CCCCC2 ZINC000572906337 435880787 /nfs/dbraw/zinc/88/07/87/435880787.db2.gz SNWJQQHSSWMVEH-CVEARBPZSA-N 1 0 318.465 3.139 10 0 DGAERO Brc1cncc(N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656608843 435983003 /nfs/dbraw/zinc/98/30/03/435983003.db2.gz NIBAKGFFXOFPLC-ZDUSSCGKSA-N 1 0 324.266 3.060 10 0 DGAERO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCCO2 ZINC000126717604 301284664 /nfs/dbraw/zinc/28/46/64/301284664.db2.gz MBZPSXODSCFNFT-WFASDCNBSA-N 1 0 322.836 3.073 10 0 DGAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662037501 436255590 /nfs/dbraw/zinc/25/55/90/436255590.db2.gz IEDFIKJXZQTOHK-RBUKOAKNSA-N 1 0 303.446 3.076 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cncc(Br)c1 ZINC000657888823 436333177 /nfs/dbraw/zinc/33/31/77/436333177.db2.gz QHYLUMKGVDCZAY-MJVIPROJSA-N 1 0 313.239 3.046 10 0 DGAERO C[C@@]1(C(=O)NCc2ccc(Cl)c(Cl)c2)CCCC[NH2+]1 ZINC000662664643 436376665 /nfs/dbraw/zinc/37/66/65/436376665.db2.gz UWQIFLRCABTOHW-AWEZNQCLSA-N 1 0 301.217 3.142 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085365329 302177710 /nfs/dbraw/zinc/17/77/10/302177710.db2.gz BSHOVHJFJKGYKH-LSDHHAIUSA-N 1 0 305.466 3.332 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261860344 302583698 /nfs/dbraw/zinc/58/36/98/302583698.db2.gz RIPQPTVPAFSHKF-SMDDNHRTSA-N 1 0 321.490 3.309 10 0 DGAERO Cc1sc2nc(C)nc(N3CC[C@H](C)[C@H](C[NH3+])C3)c2c1C ZINC000261775490 302881714 /nfs/dbraw/zinc/88/17/14/302881714.db2.gz WJBRVCWGOPVNIU-TVQRCGJNSA-N 1 0 304.463 3.038 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000261634638 303481986 /nfs/dbraw/zinc/48/19/86/303481986.db2.gz ICWYFTRCXYISHH-XVSSEFHLSA-N 1 0 306.372 3.131 10 0 DGAERO O[C@@](CO[C@@H]1C[NH+]2CCC1CC2)(c1ccccc1)C1CCCC1 ZINC000003633897 304839063 /nfs/dbraw/zinc/83/90/63/304839063.db2.gz GTKRIWMDLNOSLI-UXHICEINSA-N 1 0 315.457 3.175 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3NC1CC[NH2+]CC1)CCCC2 ZINC000423182415 304850533 /nfs/dbraw/zinc/85/05/33/304850533.db2.gz KHBLCZKHPMHMPB-SFHVURJKSA-N 1 0 300.446 3.121 10 0 DGAERO CCc1cccc(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000132954787 312655872 /nfs/dbraw/zinc/65/58/72/312655872.db2.gz OMGKYIBUORAXAU-UHFFFAOYSA-N 1 0 314.473 3.126 10 0 DGAERO CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868462 312703883 /nfs/dbraw/zinc/70/38/83/312703883.db2.gz PKCIBMCXYKFJGT-IRXDYDNUSA-N 1 0 320.502 3.107 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCc2ccccc2[C@@H]1C ZINC000171711291 312728373 /nfs/dbraw/zinc/72/83/73/312728373.db2.gz NPOAYFSCEHDBOD-CABCVRRESA-N 1 0 303.450 3.046 10 0 DGAERO CSc1ccc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000171904363 312734347 /nfs/dbraw/zinc/73/43/47/312734347.db2.gz ULUYLCLVRVIFJJ-UHFFFAOYSA-N 1 0 321.490 3.081 10 0 DGAERO CC(C)CCn1cccc1C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000172627701 312751942 /nfs/dbraw/zinc/75/19/42/312751942.db2.gz QXSPMFXLRKSYNU-UHFFFAOYSA-N 1 0 304.409 3.455 10 0 DGAERO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccccc1-n1cccn1 ZINC000177217568 312780132 /nfs/dbraw/zinc/78/01/32/312780132.db2.gz VEBOIYXWPVAADE-QGZVFWFLSA-N 1 0 312.461 3.255 10 0 DGAERO CN(Cc1ccsc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000529524260 313215652 /nfs/dbraw/zinc/21/56/52/313215652.db2.gz PVNODSVWQLSNMQ-NSHDSACASA-N 1 0 317.296 3.284 10 0 DGAERO c1ccc2nc(CNC[C@H]3CC[N@@H+]3C3CCCCC3)cnc2c1 ZINC000529638796 313244707 /nfs/dbraw/zinc/24/47/07/313244707.db2.gz BIWMIZDWGXOKEN-QGZVFWFLSA-N 1 0 310.445 3.126 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)C1CCOCC1 ZINC000532450282 313549889 /nfs/dbraw/zinc/54/98/89/313549889.db2.gz MWVMEKMJRUFLBK-IBGZPJMESA-N 1 0 313.445 3.226 10 0 DGAERO Cc1nc(-c2ccsc2)ccc1C(=O)N(C)CCC[NH+](C)C ZINC000537214319 313801782 /nfs/dbraw/zinc/80/17/82/313801782.db2.gz XFPRMSDIPGTSGQ-UHFFFAOYSA-N 1 0 317.458 3.142 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000539417362 313912067 /nfs/dbraw/zinc/91/20/67/313912067.db2.gz IMBFANFFYFAOKI-UHFFFAOYSA-N 1 0 314.429 3.289 10 0 DGAERO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(Cl)cc1 ZINC000539422513 313912774 /nfs/dbraw/zinc/91/27/74/313912774.db2.gz QRYQURSATHMQCB-PUECVXPYSA-N 1 0 320.864 3.495 10 0 DGAERO CC(C)c1ccc(SCC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000540518210 313964789 /nfs/dbraw/zinc/96/47/89/313964789.db2.gz WSBDVLMSVCYZTF-UHFFFAOYSA-N 1 0 308.491 3.312 10 0 DGAERO c1c(C[NH2+][C@H]2CCOC3(CCCC3)C2)[nH]nc1-c1cccnc1 ZINC000540625619 313969482 /nfs/dbraw/zinc/96/94/82/313969482.db2.gz VBDQMJNUALKARM-HNNXBMFYSA-N 1 0 312.417 3.053 10 0 DGAERO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000541314680 314007051 /nfs/dbraw/zinc/00/70/51/314007051.db2.gz JHXIVAZHGWALNK-ROUUACIJSA-N 1 0 314.473 3.330 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H]1CC=CCC1 ZINC000541337754 314009318 /nfs/dbraw/zinc/00/93/18/314009318.db2.gz RGBGWQIOXGSRKB-IRXDYDNUSA-N 1 0 307.482 3.249 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000541452001 314015581 /nfs/dbraw/zinc/01/55/81/314015581.db2.gz VZCLONSUIWJMEH-KRWDZBQOSA-N 1 0 315.461 3.246 10 0 DGAERO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000542244350 314063979 /nfs/dbraw/zinc/06/39/79/314063979.db2.gz XGAKXQLPLHDDDY-RDJZCZTQSA-N 1 0 318.436 3.161 10 0 DGAERO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@@H]1CC=CCC1 ZINC000542247499 314064816 /nfs/dbraw/zinc/06/48/16/314064816.db2.gz FDKACVPULCDEOH-QGZVFWFLSA-N 1 0 312.457 3.470 10 0 DGAERO CC(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000542260981 314066176 /nfs/dbraw/zinc/06/61/76/314066176.db2.gz WBIPXCSHKQAWEH-INIZCTEOSA-N 1 0 307.482 3.105 10 0 DGAERO C[C@H](CNC(=O)N(C)C[C@@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000542270310 314066559 /nfs/dbraw/zinc/06/65/59/314066559.db2.gz LBZNHNFGQXWTCY-IAGOWNOFSA-N 1 0 307.482 3.105 10 0 DGAERO C[C@H]1C[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000542318936 314069490 /nfs/dbraw/zinc/06/94/90/314069490.db2.gz BOWAPLQTKDBXTC-VHSXEESVSA-N 1 0 311.216 3.320 10 0 DGAERO Cn1ccc([C@@H]([NH2+]C[C@@]2(C)CCOC2)c2ccc(Cl)cc2)n1 ZINC000542663205 314089823 /nfs/dbraw/zinc/08/98/23/314089823.db2.gz ASNVRWOEONOMIM-DLBZAZTESA-N 1 0 319.836 3.179 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000543189138 314119157 /nfs/dbraw/zinc/11/91/57/314119157.db2.gz DIEDDLQRUJYLQT-MRXNPFEDSA-N 1 0 307.482 3.249 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000543340670 314128030 /nfs/dbraw/zinc/12/80/30/314128030.db2.gz YYRLVTTYBUMMRK-ROUUACIJSA-N 1 0 321.509 3.352 10 0 DGAERO CC(C)c1nc2cc(NC(=O)N(C)CCC[NH+](C)C)ccc2o1 ZINC000543596864 314144101 /nfs/dbraw/zinc/14/41/01/314144101.db2.gz XHVOVOLNKIBVBS-UHFFFAOYSA-N 1 0 318.421 3.367 10 0 DGAERO C[C@H](O)C[C@H](C)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000544567229 314199046 /nfs/dbraw/zinc/19/90/46/314199046.db2.gz REDFBGZZHBLSNX-GDZNZVCISA-N 1 0 321.852 3.160 10 0 DGAERO CC(C)Oc1ccccc1[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000544625529 314203992 /nfs/dbraw/zinc/20/39/92/314203992.db2.gz FTXXVVLIXPKMNH-HNNXBMFYSA-N 1 0 321.465 3.128 10 0 DGAERO Cc1ccc(OC(F)F)c(C[NH2+]CCN2CC=C(C)CC2)c1 ZINC000545148503 314228738 /nfs/dbraw/zinc/22/87/38/314228738.db2.gz OLAJWVQXVZLRIN-UHFFFAOYSA-N 1 0 310.388 3.338 10 0 DGAERO Cc1cc(Cc2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)no1 ZINC000545732991 314264846 /nfs/dbraw/zinc/26/48/46/314264846.db2.gz ZCXRAJFEVCKWSQ-UHFFFAOYSA-N 1 0 324.384 3.220 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000546567070 314310950 /nfs/dbraw/zinc/31/09/50/314310950.db2.gz VCRFIZCVYDMJOU-SJORKVTESA-N 1 0 315.461 3.130 10 0 DGAERO COc1ccc([C@H](C)[C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000546573463 314312051 /nfs/dbraw/zinc/31/20/51/314312051.db2.gz MBDHBSDAAFUGTO-SJORKVTESA-N 1 0 302.462 3.429 10 0 DGAERO COc1ccc(CC[C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000547276557 314352111 /nfs/dbraw/zinc/35/21/11/314352111.db2.gz GHPXEHBZGLFVSR-KRWDZBQOSA-N 1 0 302.462 3.258 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)cc1 ZINC000547363794 314360106 /nfs/dbraw/zinc/36/01/06/314360106.db2.gz IMGSERWRAFIHKU-QRWLVFNGSA-N 1 0 310.441 3.403 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000547777098 314394776 /nfs/dbraw/zinc/39/47/76/314394776.db2.gz NTOKDUREBSKZCZ-UHFFFAOYSA-N 1 0 322.758 3.383 10 0 DGAERO NC(=O)C[C@@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)c1cccc(Cl)c1 ZINC000549378059 314505566 /nfs/dbraw/zinc/50/55/66/314505566.db2.gz SOHWIHMPZIEXQA-OWCLPIDISA-N 1 0 306.837 3.425 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CCCCC2)C1(CC)CC ZINC000553439271 314643880 /nfs/dbraw/zinc/64/38/80/314643880.db2.gz VHSIALNNCZTUIY-HZPDHXFCSA-N 1 0 310.482 3.009 10 0 DGAERO C/C(=C\c1ccccc1)CN(C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000555627500 314730885 /nfs/dbraw/zinc/73/08/85/314730885.db2.gz PIULBMHKWGRRNH-BMRADRMJSA-N 1 0 323.440 3.470 10 0 DGAERO C(=C\c1ccccc1)\CC[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000562700252 315045632 /nfs/dbraw/zinc/04/56/32/315045632.db2.gz PLPWAJGGXBLZKT-DGBZWLMUSA-N 1 0 314.473 3.323 10 0 DGAERO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871297 315058673 /nfs/dbraw/zinc/05/86/73/315058673.db2.gz IBSDAJDZZNDLQC-OXQOHEQNSA-N 1 0 310.441 3.305 10 0 DGAERO COc1ccc(C[NH2+]CCOCC2CCC2)c(Cl)c1OC ZINC000563794441 315138201 /nfs/dbraw/zinc/13/82/01/315138201.db2.gz VFWMSWXFPKVRCJ-UHFFFAOYSA-N 1 0 313.825 3.264 10 0 DGAERO C[C@]1(C(=O)NCc2c(Cl)cccc2Cl)CCCC[NH2+]1 ZINC000564211990 315162558 /nfs/dbraw/zinc/16/25/58/315162558.db2.gz OOVLKAAELWZNPA-CQSZACIVSA-N 1 0 301.217 3.142 10 0 DGAERO CO[C@H](C)CC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000564340463 315170831 /nfs/dbraw/zinc/17/08/31/315170831.db2.gz LMRAGOXEFYHDIL-WBMJQRKESA-N 1 0 307.825 3.178 10 0 DGAERO c1cnn(-c2ccccc2C[NH2+]C2CCC3(CCCO3)CC2)c1 ZINC000564748074 315196911 /nfs/dbraw/zinc/19/69/11/315196911.db2.gz JAGJTUWOZVXLDW-UHFFFAOYSA-N 1 0 311.429 3.454 10 0 DGAERO CCC[C@]1(CO)CCC[N@@H+]1Cc1nc(-c2ccc(C)cc2)no1 ZINC000565813335 315288878 /nfs/dbraw/zinc/28/88/78/315288878.db2.gz PZBIQDACTYTEQM-GOSISDBHSA-N 1 0 315.417 3.172 10 0 DGAERO c1c2cccnc2oc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000568591235 315521852 /nfs/dbraw/zinc/52/18/52/315521852.db2.gz DIMVFLUDFBDHTF-UHFFFAOYSA-N 1 0 308.337 3.335 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000569206290 315564948 /nfs/dbraw/zinc/56/49/48/315564948.db2.gz GTFXLVZBBXXGNJ-JCYILVPMSA-N 1 0 318.465 3.068 10 0 DGAERO COc1ccc2nc(C[NH2+]CCOCC3CCC3)sc2c1 ZINC000577799244 316271735 /nfs/dbraw/zinc/27/17/35/316271735.db2.gz JNOWLWAMCHDLMI-UHFFFAOYSA-N 1 0 306.431 3.211 10 0 DGAERO Cc1ccc([C@@H]([NH2+]CCOCCO)c2ccccc2Cl)cc1 ZINC000179881917 323216072 /nfs/dbraw/zinc/21/60/72/323216072.db2.gz VMNMSJVLVROWQO-GOSISDBHSA-N 1 0 319.832 3.336 10 0 DGAERO CCC[C@@H](C[NH+]1CCN(c2cccnn2)CC1)c1ccccc1 ZINC000179972877 323218796 /nfs/dbraw/zinc/21/87/96/323218796.db2.gz MWWNVDRMIPQFQA-SFHVURJKSA-N 1 0 310.445 3.183 10 0 DGAERO C[C@H](CCCc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000180051480 323220809 /nfs/dbraw/zinc/22/08/09/323220809.db2.gz RESIMSDHILKJFC-IEBWSBKVSA-N 1 0 314.473 3.342 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H]1c1ccccc1 ZINC000180114154 323221265 /nfs/dbraw/zinc/22/12/65/323221265.db2.gz BSJRJIASFHJWRQ-PMACEKPBSA-N 1 0 320.436 3.351 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c(C2CC2)nc2sccn12 ZINC000180161804 323222357 /nfs/dbraw/zinc/22/23/57/323222357.db2.gz CILALOILEAIUOU-CQSZACIVSA-N 1 0 318.490 3.189 10 0 DGAERO c1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000180592736 323233407 /nfs/dbraw/zinc/23/34/07/323233407.db2.gz ACQYATCRQBVIMN-OALUTQOASA-N 1 0 324.472 3.374 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C(C)(C)C)cs1 ZINC000180840394 323239283 /nfs/dbraw/zinc/23/92/83/323239283.db2.gz FXMCCOAWGISJNI-UONOGXRCSA-N 1 0 307.507 3.499 10 0 DGAERO CCSCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181302387 323251150 /nfs/dbraw/zinc/25/11/50/323251150.db2.gz QRZLDQYLYPFXLK-HNNXBMFYSA-N 1 0 316.474 3.404 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000181371489 323252624 /nfs/dbraw/zinc/25/26/24/323252624.db2.gz PPEBJASONNAXPC-TZMCWYRMSA-N 1 0 314.351 3.138 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCCc2nc(C(C)C)no2)C12CCC2 ZINC000181666965 323263170 /nfs/dbraw/zinc/26/31/70/323263170.db2.gz MIDOKAMLQYRZKR-ZIAGYGMSSA-N 1 0 307.438 3.063 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCCc2nc(C(C)C)no2)C12CCC2 ZINC000181666948 323263450 /nfs/dbraw/zinc/26/34/50/323263450.db2.gz MIDOKAMLQYRZKR-KBPBESRZSA-N 1 0 307.438 3.063 10 0 DGAERO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000182009590 323279427 /nfs/dbraw/zinc/27/94/27/323279427.db2.gz GNSLJLZZWLNKGR-INIZCTEOSA-N 1 0 306.413 3.469 10 0 DGAERO C[C@@H]([NH2+]CCCOc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000182022309 323280736 /nfs/dbraw/zinc/28/07/36/323280736.db2.gz YJWWIIUPCQJJRP-MRXNPFEDSA-N 1 0 322.412 3.387 10 0 DGAERO C[C@H](C[NH2+]Cc1cn(C)nc1C(F)(F)F)Cc1ccccc1 ZINC000182071165 323282547 /nfs/dbraw/zinc/28/25/47/323282547.db2.gz MCSKCQCCOJQEDI-LBPRGKRZSA-N 1 0 311.351 3.407 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCCO1 ZINC000182349105 323295327 /nfs/dbraw/zinc/29/53/27/323295327.db2.gz MDJHQXUOKVWPPJ-SJORKVTESA-N 1 0 303.381 3.059 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000182396992 323296847 /nfs/dbraw/zinc/29/68/47/323296847.db2.gz DWVBERFRBRPLIT-ZYHUDNBSSA-N 1 0 302.249 3.303 10 0 DGAERO CC[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000182565618 323304472 /nfs/dbraw/zinc/30/44/72/323304472.db2.gz FCVZSBJTFNMJBM-WMZOPIPTSA-N 1 0 320.477 3.281 10 0 DGAERO O=C(NCC[NH2+][C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000182664528 323308194 /nfs/dbraw/zinc/30/81/94/323308194.db2.gz VSBNFRWMQGDGDC-SFHVURJKSA-N 1 0 312.388 3.223 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000182958757 323317900 /nfs/dbraw/zinc/31/79/00/323317900.db2.gz IEUGKEYHIOCSHQ-JXQTWKCFSA-N 1 0 320.399 3.346 10 0 DGAERO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000183249767 323331601 /nfs/dbraw/zinc/33/16/01/323331601.db2.gz HGIUTBRVPFSEOC-YOEHRIQHSA-N 1 0 311.491 3.353 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000183354567 323335050 /nfs/dbraw/zinc/33/50/50/323335050.db2.gz GBGHSWPCXUCCGH-SMDDNHRTSA-N 1 0 305.315 3.146 10 0 DGAERO CCC(C)(C)c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000183378306 323336668 /nfs/dbraw/zinc/33/66/68/323336668.db2.gz UFBYRFKKPUKEJV-MRXNPFEDSA-N 1 0 309.475 3.041 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000183491058 323339847 /nfs/dbraw/zinc/33/98/47/323339847.db2.gz HDUQRFZFULXTTM-CQSZACIVSA-N 1 0 314.477 3.386 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]CCCc1c(C)nn(C)c1C)CC2 ZINC000183486976 323339903 /nfs/dbraw/zinc/33/99/03/323339903.db2.gz ZXLSNUSCZUHBFF-LJQANCHMSA-N 1 0 313.445 3.255 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+]CCCc1c(C)nn(C)c1C ZINC000183491101 323339943 /nfs/dbraw/zinc/33/99/43/323339943.db2.gz YRYVTWDLUXQIJZ-CYBMUJFWSA-N 1 0 301.434 3.329 10 0 DGAERO CCC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)c1ccccn1 ZINC000183488139 323339996 /nfs/dbraw/zinc/33/99/96/323339996.db2.gz RAHGZVLMIIZHGI-QGZVFWFLSA-N 1 0 300.450 3.496 10 0 DGAERO Clc1ccccc1-c1ccc(C[NH2+]CCCn2ccnn2)o1 ZINC000184247663 323359983 /nfs/dbraw/zinc/35/99/83/323359983.db2.gz QHNZOGXGOZARPJ-UHFFFAOYSA-N 1 0 316.792 3.371 10 0 DGAERO Cc1ccc([C@H]([NH2+]CCCn2ccnn2)c2ccccc2)cc1 ZINC000184277500 323360867 /nfs/dbraw/zinc/36/08/67/323360867.db2.gz AOGWWCCKMAPUPU-LJQANCHMSA-N 1 0 306.413 3.356 10 0 DGAERO Cc1ccc(C[C@H](C)N(C)C(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000192581298 323455319 /nfs/dbraw/zinc/45/53/19/323455319.db2.gz PGAPNBGUVHPNFF-INIZCTEOSA-N 1 0 314.473 3.259 10 0 DGAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncc(Cl)cc2Br)C1 ZINC000382433391 323621673 /nfs/dbraw/zinc/62/16/73/323621673.db2.gz SPCZXTACLLHWBJ-VXNVDRBHSA-N 1 0 304.619 3.037 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)O1 ZINC000384659950 323628843 /nfs/dbraw/zinc/62/88/43/323628843.db2.gz VUVHAUTVRXBHSY-JRKPZEMJSA-N 1 0 302.187 3.244 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]Cc2cc3cccnc3o2)c2ccccc21 ZINC000580155122 323964146 /nfs/dbraw/zinc/96/41/46/323964146.db2.gz PMGXLNOUAIHVKT-KRWDZBQOSA-N 1 0 321.380 3.415 10 0 DGAERO C(C[N@@H+]1CCO[C@]2(CCSC2)C1)SC1CCCCC1 ZINC000583438388 324354468 /nfs/dbraw/zinc/35/44/68/324354468.db2.gz IATSASZDCWNQOR-OAHLLOKOSA-N 1 0 301.521 3.260 10 0 DGAERO CC[NH+](CC)CCOc1ccc([C@](C)(O)c2ccncc2)cc1 ZINC000584637384 337379382 /nfs/dbraw/zinc/37/93/82/337379382.db2.gz TUJAXSPTTVDQEH-IBGZPJMESA-N 1 0 314.429 3.058 10 0 DGAERO Cc1cc2c(cn1)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC000584649870 337380696 /nfs/dbraw/zinc/38/06/96/337380696.db2.gz TWHQUCJPFPZYTN-UHFFFAOYSA-N 1 0 308.381 3.052 10 0 DGAERO COC(=O)C[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000179148272 533724152 /nfs/dbraw/zinc/72/41/52/533724152.db2.gz RQADQNHAYLVPKK-OAHLLOKOSA-N 1 0 318.348 3.008 10 0 DGAERO COc1cccc([C@@H]2[C@@H](Nc3nccc(C)n3)CC[N@@H+]2C2CC2)c1 ZINC000302054318 533759419 /nfs/dbraw/zinc/75/94/19/533759419.db2.gz POPBEQZSAQCBCM-ZWKOTPCHSA-N 1 0 324.428 3.184 10 0 DGAERO COc1cc(C[N@H+](C)CCCO)c(-c2ccccc2)cc1OC ZINC000442971616 533780643 /nfs/dbraw/zinc/78/06/43/533780643.db2.gz WGKDFASDDNXJLY-UHFFFAOYSA-N 1 0 315.413 3.185 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)C1CCCC1 ZINC000184652592 533821000 /nfs/dbraw/zinc/82/10/00/533821000.db2.gz JQXXLJTVUIXDRH-HNNXBMFYSA-N 1 0 300.446 3.350 10 0 DGAERO C[C@H]([NH2+]CC1(CCO)CC1)c1cc(Br)ccc1F ZINC000157459728 533830362 /nfs/dbraw/zinc/83/03/62/533830362.db2.gz MAEPBUASAQXAGE-JTQLQIEISA-N 1 0 316.214 3.401 10 0 DGAERO CS[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000178771603 533883791 /nfs/dbraw/zinc/88/37/91/533883791.db2.gz MWZVXTFKLLBTGZ-BDVYOWHSSA-N 1 0 320.502 3.327 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)NCCc1ccc(F)cc1 ZINC000172170707 533973716 /nfs/dbraw/zinc/97/37/16/533973716.db2.gz WHNXSGXLLVRDOZ-KBPBESRZSA-N 1 0 306.425 3.041 10 0 DGAERO C[C@H](O)[C@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000162863767 534109962 /nfs/dbraw/zinc/10/99/62/534109962.db2.gz DUZOIMUGQXOPIV-QWRGUYRKSA-N 1 0 304.217 3.075 10 0 DGAERO O=C(NC1CC1)[C@H]([NH2+]CCC1=CCCC1)c1ccc(F)cc1 ZINC000152930218 518199235 /nfs/dbraw/zinc/19/92/35/518199235.db2.gz PDABDWRMEMLVMH-QGZVFWFLSA-N 1 0 302.393 3.235 10 0 DGAERO O=C(CCC1CCOCC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175198849 534337079 /nfs/dbraw/zinc/33/70/79/534337079.db2.gz WGCPEGHWIKWNKM-UHFFFAOYSA-N 1 0 316.445 3.428 10 0 DGAERO FC(F)(F)COCCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000173839839 534390877 /nfs/dbraw/zinc/39/08/77/534390877.db2.gz TZVXSPMRSBZYBC-CQSZACIVSA-N 1 0 309.372 3.379 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000152344211 534395167 /nfs/dbraw/zinc/39/51/67/534395167.db2.gz YZJSSJDNDIMATH-RISCZKNCSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1noc([C@@H](C)N2CC[NH+]([C@H](C)c3cccc(C)c3)CC2)n1 ZINC000173683915 534438876 /nfs/dbraw/zinc/43/88/76/534438876.db2.gz QMRXXVRPXXMMNL-HUUCEWRRSA-N 1 0 314.433 3.126 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@H](C)c2ccco2)CC1 ZINC000157820194 519842427 /nfs/dbraw/zinc/84/24/27/519842427.db2.gz IMBILFAYCXRHKD-CQSZACIVSA-N 1 0 307.438 3.104 10 0 DGAERO O=C(CC[C@H]1CCOC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175923804 534451033 /nfs/dbraw/zinc/45/10/33/534451033.db2.gz KCCSZFJERRVAMT-INIZCTEOSA-N 1 0 302.418 3.038 10 0 DGAERO Cc1noc([C@H](C)N2CC[NH+]([C@H](C)c3cccc(C)c3)CC2)n1 ZINC000173683889 534469735 /nfs/dbraw/zinc/46/97/35/534469735.db2.gz QMRXXVRPXXMMNL-CABCVRRESA-N 1 0 314.433 3.126 10 0 DGAERO c1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccncc2)cc1 ZINC000322353292 534500658 /nfs/dbraw/zinc/50/06/58/534500658.db2.gz GAXZXNFEWAGJIF-AABGKKOBSA-N 1 0 307.441 3.387 10 0 DGAERO c1nc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)co1 ZINC000432727448 534527321 /nfs/dbraw/zinc/52/73/21/534527321.db2.gz HFJRWRFJVGSRSI-UHFFFAOYSA-N 1 0 311.429 3.163 10 0 DGAERO CCC[C@H]([NH2+]C[C@@H]1CCCN1CCOC)c1ccc(OC)cc1 ZINC000163291961 521159420 /nfs/dbraw/zinc/15/94/20/521159420.db2.gz IFDMFNKUTWIQNS-HKUYNNGSSA-N 1 0 320.477 3.237 10 0 DGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157517640 521333300 /nfs/dbraw/zinc/33/33/00/521333300.db2.gz FVNOVKMCJAIRKB-TZMCWYRMSA-N 1 0 322.497 3.290 10 0 DGAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)s1 ZINC000163325429 522010681 /nfs/dbraw/zinc/01/06/81/522010681.db2.gz SYAHIBGLSHBDFC-LLVKDONJSA-N 1 0 322.455 3.371 10 0 DGAERO CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccnc2N(C)C)s1 ZINC000154718927 522224002 /nfs/dbraw/zinc/22/40/02/522224002.db2.gz ABUKKOWRVQRXTJ-LLVKDONJSA-N 1 0 304.463 3.326 10 0 DGAERO COC[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)C(C)C ZINC000162668127 522363314 /nfs/dbraw/zinc/36/33/14/522363314.db2.gz NFIXLZVLHBKBJC-LJQANCHMSA-N 1 0 321.461 3.143 10 0 DGAERO CC[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1nccs1 ZINC000156680983 522793087 /nfs/dbraw/zinc/79/30/87/522793087.db2.gz JKQLVOPCQGOXFP-CQSZACIVSA-N 1 0 303.431 3.086 10 0 DGAERO CC[C@]1(CO)CCC[N@@H+]1Cc1csc(Br)c1 ZINC000189678156 523622375 /nfs/dbraw/zinc/62/23/75/523622375.db2.gz CEUCKLLMBRZFHZ-GFCCVEGCSA-N 1 0 304.253 3.248 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCc3ccccc3C)[C@H]2C1 ZINC000158025522 523708786 /nfs/dbraw/zinc/70/87/86/523708786.db2.gz IMCZFFRWRSFGFG-QYZOEREBSA-N 1 0 303.446 3.196 10 0 DGAERO C[C@@H](C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000164199787 524086869 /nfs/dbraw/zinc/08/68/69/524086869.db2.gz HKDXPNKEOTVXRD-ZJUUUORDSA-N 1 0 315.244 3.368 10 0 DGAERO Cn1cncc1[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CCO1 ZINC000328625190 534813808 /nfs/dbraw/zinc/81/38/08/534813808.db2.gz CXSSUXRKVWIVML-KSSFIOAISA-N 1 0 311.385 3.176 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+]CCSCc1ccccc1 ZINC000193915521 534814511 /nfs/dbraw/zinc/81/45/11/534814511.db2.gz QHUZRZYRFLZSKT-UHFFFAOYSA-N 1 0 317.502 3.493 10 0 DGAERO Cc1nn(C)cc1[C@H](C)[NH2+]CCc1cn(C)c2cc(C)ccc12 ZINC000188695677 534850001 /nfs/dbraw/zinc/85/00/01/534850001.db2.gz LDCRDGIADKXFFH-AWEZNQCLSA-N 1 0 310.445 3.422 10 0 DGAERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188859026 525426510 /nfs/dbraw/zinc/42/65/10/525426510.db2.gz VPSMZFBBUDAVCW-UHFFFAOYSA-N 1 0 317.820 3.050 10 0 DGAERO CC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451356015 534887836 /nfs/dbraw/zinc/88/78/36/534887836.db2.gz WPWZENFFMAEMJJ-QRVBRYPASA-N 1 0 301.430 3.405 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000178625847 527169973 /nfs/dbraw/zinc/16/99/73/527169973.db2.gz HEYSIJMTQQFOOC-QGZVFWFLSA-N 1 0 300.446 3.094 10 0 DGAERO CC(C)(CO)CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000294868501 527202048 /nfs/dbraw/zinc/20/20/48/527202048.db2.gz UKURGCHRRHDCPJ-UHFFFAOYSA-N 1 0 304.203 3.086 10 0 DGAERO O=C(Nc1ccc(F)cc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000154829933 527207780 /nfs/dbraw/zinc/20/77/80/527207780.db2.gz MCMXQBMMLITMQQ-LBPRGKRZSA-N 1 0 311.788 3.181 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC(C)=C[C@@H](C)C2)cc1 ZINC000430287332 527297597 /nfs/dbraw/zinc/29/75/97/527297597.db2.gz XDFIZMCJNDGJOM-CYBMUJFWSA-N 1 0 300.402 3.116 10 0 DGAERO Cc1ncc([C@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)s1 ZINC000090417920 527308005 /nfs/dbraw/zinc/30/80/05/527308005.db2.gz NNORDNBVPDHMOV-ZDUSSCGKSA-N 1 0 316.474 3.475 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000431119940 527368559 /nfs/dbraw/zinc/36/85/59/527368559.db2.gz SLDRFPKJCCRCQU-UZFJHYNOSA-N 1 0 314.429 3.385 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000435138982 528223218 /nfs/dbraw/zinc/22/32/18/528223218.db2.gz LYTWQXKGJUKRBH-IIDMSEBBSA-N 1 0 318.436 3.452 10 0 DGAERO CC[N@H+](CCC(=O)OC(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000441311686 528402262 /nfs/dbraw/zinc/40/22/62/528402262.db2.gz NPZWHLASCSRTLN-HNNXBMFYSA-N 1 0 307.434 3.290 10 0 DGAERO CCCOc1ccc(CNC(=O)C[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000184647651 528668303 /nfs/dbraw/zinc/66/83/03/528668303.db2.gz LSFUSAZPUNAARN-HNNXBMFYSA-N 1 0 318.461 3.260 10 0 DGAERO CC[N@H+](Cc1cc(Br)ccc1OC)[C@H]1CCOC1 ZINC000311000631 528765150 /nfs/dbraw/zinc/76/51/50/528765150.db2.gz IFVVYZRYMFFKCU-ZDUSSCGKSA-N 1 0 314.223 3.069 10 0 DGAERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nncs1 ZINC000296775674 529124693 /nfs/dbraw/zinc/12/46/93/529124693.db2.gz MXFKUKGXWNZZFE-AWEZNQCLSA-N 1 0 302.447 3.251 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000150745261 529196519 /nfs/dbraw/zinc/19/65/19/529196519.db2.gz URMIWDKVMOCTJH-INIZCTEOSA-N 1 0 324.490 3.092 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCOCC(F)F)cc1 ZINC000471803323 534953875 /nfs/dbraw/zinc/95/38/75/534953875.db2.gz GWWCIBVCQUIEII-UHFFFAOYSA-N 1 0 315.360 3.013 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)CCCC(F)(F)F)CC1 ZINC000494789105 535244252 /nfs/dbraw/zinc/24/42/52/535244252.db2.gz YCQKVKAAOBURNJ-CYBMUJFWSA-N 1 0 321.387 3.059 10 0 DGAERO CCOC(=O)C[N@H+](C[C@@H](C)c1ccc(OC)cc1)C1CCC1 ZINC000468685600 535668242 /nfs/dbraw/zinc/66/82/42/535668242.db2.gz QLGUYFKJNLDYKO-CQSZACIVSA-N 1 0 305.418 3.216 10 0 DGAERO CC[C@H]1CCC[C@H]1C[NH2+]Cc1c(Br)cnn1C ZINC000449437310 536079229 /nfs/dbraw/zinc/07/92/29/536079229.db2.gz YUDAGBQLYPTVLO-QWRGUYRKSA-N 1 0 300.244 3.099 10 0 DGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC3(C2)CCCCC3)C1 ZINC000459266372 536363141 /nfs/dbraw/zinc/36/31/41/536363141.db2.gz PQGCWWDLTGJGAE-INIZCTEOSA-N 1 0 307.482 3.084 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CCCCCC3)CC[C@@H]21 ZINC000459020251 536378707 /nfs/dbraw/zinc/37/87/07/536378707.db2.gz KUBFQYAIMQLOIW-SJORKVTESA-N 1 0 307.482 3.083 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc(OC)c1 ZINC000475270281 536767163 /nfs/dbraw/zinc/76/71/63/536767163.db2.gz QCJQNLZJDVISCE-YGRLFVJLSA-N 1 0 303.324 3.477 10 0 DGAERO COc1ccc([C@H](CO)C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000459728246 536921256 /nfs/dbraw/zinc/92/12/56/536921256.db2.gz GDEQAWDCQFCVCO-QXAKKESOSA-N 1 0 303.446 3.330 10 0 DGAERO [NH3+]Cc1c(-c2ccc(Br)cc2)nc2ccc(F)cn21 ZINC000036321891 545670582 /nfs/dbraw/zinc/67/05/82/545670582.db2.gz WTHAKICPCMNTEN-UHFFFAOYSA-N 1 0 320.165 3.362 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+]Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000076372020 545737806 /nfs/dbraw/zinc/73/78/06/545737806.db2.gz BSGZSYQFJCPCTN-MRXNPFEDSA-N 1 0 310.397 3.031 10 0 DGAERO C[N@H+](CCOc1c(Cl)cccc1Cl)C[C@@H](O)C1CC1 ZINC000079768350 545758979 /nfs/dbraw/zinc/75/89/79/545758979.db2.gz ODUSRJPREVEXMI-CYBMUJFWSA-N 1 0 304.217 3.075 10 0 DGAERO C[N@H+](CCOc1c(Cl)cccc1Cl)C[C@H](O)C1CC1 ZINC000079787580 545759427 /nfs/dbraw/zinc/75/94/27/545759427.db2.gz ODUSRJPREVEXMI-ZDUSSCGKSA-N 1 0 304.217 3.075 10 0 DGAERO Cc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1Br ZINC000084747944 545794499 /nfs/dbraw/zinc/79/44/99/545794499.db2.gz GENLBXJBNOCPQO-UHFFFAOYSA-N 1 0 311.223 3.214 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000089430758 545813882 /nfs/dbraw/zinc/81/38/82/545813882.db2.gz PKVRZQXZJVCQKX-PWSUYJOCSA-N 1 0 322.206 3.342 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457118 545814654 /nfs/dbraw/zinc/81/46/54/545814654.db2.gz QULOSCWMGMDQCN-RISCZKNCSA-N 1 0 315.244 3.327 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccccc1SCC(F)(F)F ZINC000089742106 545819652 /nfs/dbraw/zinc/81/96/52/545819652.db2.gz NHAAPZGNCUPEHJ-SNVBAGLBSA-N 1 0 318.364 3.279 10 0 DGAERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000092588364 545847973 /nfs/dbraw/zinc/84/79/73/545847973.db2.gz GHAKSLHKLAUPQI-INIZCTEOSA-N 1 0 316.445 3.238 10 0 DGAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094670532 545861476 /nfs/dbraw/zinc/86/14/76/545861476.db2.gz NCEQWRKURFCLKB-LLVKDONJSA-N 1 0 319.630 3.414 10 0 DGAERO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000111246006 545872249 /nfs/dbraw/zinc/87/22/49/545872249.db2.gz SIKMJDLQENVEMU-TVQRCGJNSA-N 1 0 320.742 3.059 10 0 DGAERO Cc1cccc2c1CCN2C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119012286 545875984 /nfs/dbraw/zinc/87/59/84/545875984.db2.gz WZOASJKKLJWHNB-UHFFFAOYSA-N 1 0 315.461 3.188 10 0 DGAERO CCCN(Cc1cncnc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000119519766 545881002 /nfs/dbraw/zinc/88/10/02/545881002.db2.gz HADCKYGARKNDJP-FQEVSTJZSA-N 1 0 324.472 3.353 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000136433204 545981509 /nfs/dbraw/zinc/98/15/09/545981509.db2.gz LVHCVHISFMDXRS-JTQLQIEISA-N 1 0 306.740 3.253 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000136384488 545981893 /nfs/dbraw/zinc/98/18/93/545981893.db2.gz MXGAMQDIINBKOK-ZDUSSCGKSA-N 1 0 303.233 3.325 10 0 DGAERO Fc1ccc(SCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152389022 546002417 /nfs/dbraw/zinc/00/24/17/546002417.db2.gz OVVDQTHBWSPURI-INIZCTEOSA-N 1 0 318.417 3.466 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000163834386 546084549 /nfs/dbraw/zinc/08/45/49/546084549.db2.gz ULEQAWFJICKLEA-VQTJNVASSA-N 1 0 312.457 3.137 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000164024385 546086098 /nfs/dbraw/zinc/08/60/98/546086098.db2.gz FHGNQMGHISQGDN-KBPBESRZSA-N 1 0 312.251 3.433 10 0 DGAERO Clc1ccccc1OC[C@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000180149163 546142447 /nfs/dbraw/zinc/14/24/47/546142447.db2.gz WGGUSEVWEVZORD-AWEZNQCLSA-N 1 0 317.820 3.421 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000180734291 546148636 /nfs/dbraw/zinc/14/86/36/546148636.db2.gz FUZINURUTCHCTC-VXGBXAGGSA-N 1 0 312.816 3.388 10 0 DGAERO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000181152395 546154489 /nfs/dbraw/zinc/15/44/89/546154489.db2.gz AHGOCDXXLSVWLI-ZFWWWQNUSA-N 1 0 309.369 3.437 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(C2CC2)C2CC2)cc1F ZINC000181370449 546156627 /nfs/dbraw/zinc/15/66/27/546156627.db2.gz VIKHIGPZNYEZOG-LBPRGKRZSA-N 1 0 304.409 3.090 10 0 DGAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000181400155 546156936 /nfs/dbraw/zinc/15/69/36/546156936.db2.gz GKMBRYRVECGHAQ-CABCVRRESA-N 1 0 306.450 3.287 10 0 DGAERO CCN(C)C(=O)CC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000181401418 546157092 /nfs/dbraw/zinc/15/70/92/546157092.db2.gz NRCHYKTXUHHWET-OAHLLOKOSA-N 1 0 306.450 3.240 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc2ccccc2c1 ZINC000181488449 546157206 /nfs/dbraw/zinc/15/72/06/546157206.db2.gz NNBFFNLUFCPOTI-HNNXBMFYSA-N 1 0 319.408 3.202 10 0 DGAERO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000181400200 546157295 /nfs/dbraw/zinc/15/72/95/546157295.db2.gz GKMBRYRVECGHAQ-HUUCEWRRSA-N 1 0 306.450 3.287 10 0 DGAERO c1cc2cnccc2c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000181539064 546157987 /nfs/dbraw/zinc/15/79/87/546157987.db2.gz CJBIESNDMAWTRQ-WMZOPIPTSA-N 1 0 314.454 3.379 10 0 DGAERO C[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@H]1CCCO1 ZINC000183167159 546171917 /nfs/dbraw/zinc/17/19/17/546171917.db2.gz GXESYAWBNUDYOT-SMDDNHRTSA-N 1 0 303.324 3.285 10 0 DGAERO C[C@@H](NCc1noc2c1CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666847 546189487 /nfs/dbraw/zinc/18/94/87/546189487.db2.gz OZVKBKKLGWLDAJ-CABCVRRESA-N 1 0 317.477 3.296 10 0 DGAERO CCc1nn(C)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191660131 546226668 /nfs/dbraw/zinc/22/66/68/546226668.db2.gz AUWUMGRKRZPJIQ-CYBMUJFWSA-N 1 0 303.372 3.393 10 0 DGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccn(C)c1C ZINC000194988898 546250547 /nfs/dbraw/zinc/25/05/47/546250547.db2.gz CNDPWTKKVHHYNZ-UHFFFAOYSA-N 1 0 313.445 3.105 10 0 DGAERO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccn(C)c2C)cc1 ZINC000194985933 546251299 /nfs/dbraw/zinc/25/12/99/546251299.db2.gz BITHZZFZKRFXIL-UHFFFAOYSA-N 1 0 313.445 3.105 10 0 DGAERO Cc1c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccn1C ZINC000195262504 546254260 /nfs/dbraw/zinc/25/42/60/546254260.db2.gz NOLICQYUWHAWDM-RDJZCZTQSA-N 1 0 317.477 3.060 10 0 DGAERO CC[NH+](CC)CCSc1ncc(Br)cc1F ZINC000233463699 546277413 /nfs/dbraw/zinc/27/74/13/546277413.db2.gz ONOLFEBGNIOPKV-UHFFFAOYSA-N 1 0 307.232 3.417 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](O)COC[C@H]2CCCO2)cc1 ZINC000248499823 546317848 /nfs/dbraw/zinc/31/78/48/546317848.db2.gz SCHBAYXPSVJYQV-ZYSHUDEJSA-N 1 0 321.461 3.017 10 0 DGAERO COc1ccccc1/C=C\C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000255151593 546334198 /nfs/dbraw/zinc/33/41/98/546334198.db2.gz WLSBIPLZFZPVCB-KMEOJIRZSA-N 1 0 301.430 3.335 10 0 DGAERO C[C@H]1CCC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000255301928 546334851 /nfs/dbraw/zinc/33/48/51/546334851.db2.gz YWIGTTCIQHWBTF-ZSNVMCELSA-N 1 0 307.482 3.127 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000255498303 546335975 /nfs/dbraw/zinc/33/59/75/546335975.db2.gz XJIQQRVFBONEQC-JZPMYCAGSA-N 1 0 312.457 3.341 10 0 DGAERO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])n2)s1 ZINC000261657654 546337852 /nfs/dbraw/zinc/33/78/52/546337852.db2.gz AIJGLXSRBSVXGI-GHMZBOCLSA-N 1 0 321.471 3.494 10 0 DGAERO C[C@@H]([NH3+])CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000261827057 546339058 /nfs/dbraw/zinc/33/90/58/546339058.db2.gz IYMBXKMEZOSXBO-OTYXRUKQSA-N 1 0 300.324 3.010 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261860341 546339163 /nfs/dbraw/zinc/33/91/63/546339163.db2.gz RIPQPTVPAFSHKF-RISCZKNCSA-N 1 0 321.490 3.309 10 0 DGAERO CCOc1ccc2nc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])sc2c1 ZINC000261970899 546339456 /nfs/dbraw/zinc/33/94/56/546339456.db2.gz MTAQJQWBKWCOQP-ZYHUDNBSSA-N 1 0 319.430 3.009 10 0 DGAERO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000309684313 546451247 /nfs/dbraw/zinc/45/12/47/546451247.db2.gz BJYCEKMPEJFPGV-AKHDSKFASA-N 1 0 312.457 3.061 10 0 DGAERO COc1sc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1Br ZINC000309872681 546451745 /nfs/dbraw/zinc/45/17/45/546451745.db2.gz RICVFWIRFLCOLX-JZYVYDRUSA-N 1 0 302.237 3.407 10 0 DGAERO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)C1 ZINC000329701273 546490315 /nfs/dbraw/zinc/49/03/15/546490315.db2.gz HHUZFBLPAOPSIG-ADOMEBDSSA-N 1 0 319.449 3.476 10 0 DGAERO Cc1cncc(-c2nc(C[N@@H+]3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)no2)c1 ZINC000333677939 546509971 /nfs/dbraw/zinc/50/99/71/546509971.db2.gz KKVAEDJHQFHHNQ-DEWZPKMOSA-N 1 0 324.428 3.308 10 0 DGAERO CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000333813361 546512651 /nfs/dbraw/zinc/51/26/51/546512651.db2.gz PXVUWQJVTDBLII-MPGHIAIKSA-N 1 0 315.461 3.046 10 0 DGAERO CC(C)[C@]1(C)C[C@@H]1c1nc([C@@H]2CN3CCCC[C@H]3CO2)no1 ZINC000350187992 546612073 /nfs/dbraw/zinc/61/20/73/546612073.db2.gz CRZYJBHJKUUCDL-LOUJCGABSA-N 1 0 305.422 3.145 10 0 DGAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000379617917 546734944 /nfs/dbraw/zinc/73/49/44/546734944.db2.gz NYFCOTJUCORCGX-RDGPPVDQSA-N 1 0 312.457 3.203 10 0 DGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000379617914 546735620 /nfs/dbraw/zinc/73/56/20/546735620.db2.gz NYFCOTJUCORCGX-FCGDIQPGSA-N 1 0 312.457 3.203 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1ccncc1Cl ZINC000381069419 546736872 /nfs/dbraw/zinc/73/68/72/546736872.db2.gz OLHUHWHLQDILPQ-AWEZNQCLSA-N 1 0 303.837 3.345 10 0 DGAERO Cc1cnc(C)c(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000381078097 546738000 /nfs/dbraw/zinc/73/80/00/546738000.db2.gz RWHSMSQPTYMUTP-GOSISDBHSA-N 1 0 310.445 3.418 10 0 DGAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388587706 546748892 /nfs/dbraw/zinc/74/88/92/546748892.db2.gz HJOQQJRVPMXCNZ-HSALFYBXSA-N 1 0 316.489 3.134 10 0 DGAERO [NH3+]C1(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000398144459 546763239 /nfs/dbraw/zinc/76/32/39/546763239.db2.gz BCTDYOYNAOVZAH-UHFFFAOYSA-N 1 0 313.228 3.366 10 0 DGAERO [NH3+]C1(CC(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000398168197 546763437 /nfs/dbraw/zinc/76/34/37/546763437.db2.gz KINFUODRAGDNGK-UHFFFAOYSA-N 1 0 304.337 3.161 10 0 DGAERO CC(C)C[C@@H](CNC(=O)c1cc(O)c2ccccc2c1)[NH+](C)C ZINC000472162644 546902528 /nfs/dbraw/zinc/90/25/28/546902528.db2.gz YIZNXCHEBLFXTR-INIZCTEOSA-N 1 0 314.429 3.252 10 0 DGAERO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc(C)cc(OC)c1C ZINC000489732248 546926701 /nfs/dbraw/zinc/92/67/01/546926701.db2.gz DMRFVTFAWAUKQK-CYBMUJFWSA-N 1 0 307.438 3.164 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCOC1)CS2 ZINC000494456928 546934368 /nfs/dbraw/zinc/93/43/68/546934368.db2.gz PFBDOFKULGESOW-PWSUYJOCSA-N 1 0 314.248 3.365 10 0 DGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(O)c2ccccc2c1 ZINC000526857252 546968748 /nfs/dbraw/zinc/96/87/48/546968748.db2.gz BVPZKZDUMBBTJL-INIZCTEOSA-N 1 0 312.413 3.102 10 0 DGAERO COCCOCC[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000531695459 546978717 /nfs/dbraw/zinc/97/87/17/546978717.db2.gz XIYONPANNLZWCL-LJQANCHMSA-N 1 0 305.462 3.431 10 0 DGAERO COC[C@@](C)(O)C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000531966588 546978922 /nfs/dbraw/zinc/97/89/22/546978922.db2.gz ZRBMITSSSAJOKV-OALUTQOASA-N 1 0 305.462 3.165 10 0 DGAERO c1ccc(C[C@@H]([NH2+]C[C@@H]2COCCO2)C2CCCCC2)cc1 ZINC000532448341 546980189 /nfs/dbraw/zinc/98/01/89/546980189.db2.gz DRPYSTXYEKGYLH-RTBURBONSA-N 1 0 303.446 3.183 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C12CCOCC2 ZINC000588485703 547026989 /nfs/dbraw/zinc/02/69/89/547026989.db2.gz HCBDICLAUBCRJM-RPPGEJNMSA-N 1 0 301.430 3.264 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2cc(F)ccc2F)C1 ZINC000675055439 548148663 /nfs/dbraw/zinc/14/86/63/548148663.db2.gz SHRKOFXPXVPQQA-RISCZKNCSA-N 1 0 312.360 3.283 10 0 DGAERO CN1CC[C@@H]([NH3+])C[C@@H]1c1cc(Cl)ccc1Br ZINC000675055753 548148738 /nfs/dbraw/zinc/14/87/38/548148738.db2.gz XJSLWCGHSWHLBV-BXKDBHETSA-N 1 0 303.631 3.197 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2c(F)cccc2F)C1 ZINC000675055725 548149022 /nfs/dbraw/zinc/14/90/22/548149022.db2.gz XAXFZCURRVJJJZ-GXFFZTMASA-N 1 0 312.360 3.283 10 0 DGAERO CC[C@]1([NH+]2CCSCC2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685961504 549810782 /nfs/dbraw/zinc/81/07/82/549810782.db2.gz SCFLZGSYMISCKU-INIZCTEOSA-N 1 0 314.495 3.215 10 0 DGAERO CC[C@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2ccsc21 ZINC000725242810 549811397 /nfs/dbraw/zinc/81/13/97/549811397.db2.gz UXMDWAPALWFFNI-LRDDRELGSA-N 1 0 310.463 3.412 10 0 DGAERO COc1cccc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675053185 563856679 /nfs/dbraw/zinc/85/66/79/563856679.db2.gz HKBGEIRANRKOPY-DZGCQCFKSA-N 1 0 306.406 3.095 10 0 DGAERO C[NH2+]CC[C@@H](CNC(=O)OC(C)(C)C)c1c[nH]c2ccccc21 ZINC000725269364 563574738 /nfs/dbraw/zinc/57/47/38/563574738.db2.gz SNRKYBMCPQCBPG-ZDUSSCGKSA-N 1 0 317.433 3.386 10 0 DGAERO Fc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1Br ZINC000725270292 563576037 /nfs/dbraw/zinc/57/60/37/563576037.db2.gz ZOIUIRGZWGOYLB-SMDDNHRTSA-N 1 0 314.198 3.103 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2cc(F)cc(F)c2)C1 ZINC000675052577 563780667 /nfs/dbraw/zinc/78/06/67/563780667.db2.gz BQPDTVPWZRTTAF-KGLIPLIRSA-N 1 0 312.360 3.283 10 0 DGAERO CN1CCCc2cc(NC(=O)CCCC[NH+]3CCCC3)ccc21 ZINC000731658955 574555428 /nfs/dbraw/zinc/55/54/28/574555428.db2.gz SFPHQJGPOSCADX-UHFFFAOYSA-N 1 0 315.461 3.274 10 0 DGAERO Cc1cc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)ccc1F ZINC000675052821 563855919 /nfs/dbraw/zinc/85/59/19/563855919.db2.gz FQPGXERFAQVCBI-UKRRQHHQSA-N 1 0 308.397 3.452 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)c(F)c1 ZINC000675053653 563860953 /nfs/dbraw/zinc/86/09/53/563860953.db2.gz JVILABWGJBKQQF-SMDDNHRTSA-N 1 0 312.360 3.364 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cc(F)cc(F)c1 ZINC000675054411 563861743 /nfs/dbraw/zinc/86/17/43/563861743.db2.gz NKHBPCSLKOFGEG-UONOGXRCSA-N 1 0 312.360 3.364 10 0 DGAERO C/C(=C/C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)c1cccc(F)c1 ZINC000732061476 574566001 /nfs/dbraw/zinc/56/60/01/574566001.db2.gz LTUVYRQWXRJAGC-CDSAOTDBSA-N 1 0 318.436 3.466 10 0 DGAERO C/C(=C/C(=O)N(CC[NH+](C)C)CC(C)C)c1cccc(F)c1 ZINC000732074466 574566142 /nfs/dbraw/zinc/56/61/42/574566142.db2.gz PLYSXRACNDDEKA-PTNGSMBKSA-N 1 0 306.425 3.275 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C(\C)c1cccc(F)c1 ZINC000732140159 574567112 /nfs/dbraw/zinc/56/71/12/574567112.db2.gz XPQNYPVORZGVAS-WKOYGUFESA-N 1 0 304.409 3.220 10 0 DGAERO O=C1[C@@H]([NH2+]C[C@H]2CCc3ccccc32)CCN1c1ccccc1 ZINC000732227260 574569048 /nfs/dbraw/zinc/56/90/48/574569048.db2.gz AUGMAASOANOVSD-APWZRJJASA-N 1 0 306.409 3.112 10 0 DGAERO C[NH+](C)CCCCNC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000733161140 574600200 /nfs/dbraw/zinc/60/02/00/574600200.db2.gz LSDJVOLDKRGIMW-UHFFFAOYSA-N 1 0 308.425 3.329 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000734139790 574652858 /nfs/dbraw/zinc/65/28/58/574652858.db2.gz ZTNRVJHVPHHVBO-OCCSQVGLSA-N 1 0 317.458 3.348 10 0 DGAERO CC[NH+](CC)CCNC(=O)NC(C1CCCC1)C1CCCC1 ZINC000735576337 574706844 /nfs/dbraw/zinc/70/68/44/574706844.db2.gz DXKTVQQGTPYWFD-UHFFFAOYSA-N 1 0 309.498 3.376 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]1[C@]1(C)[NH2+]CCc2ccoc21 ZINC000703041157 568414087 /nfs/dbraw/zinc/41/40/87/568414087.db2.gz VLAUYDGKMDCEIT-GUYCJALGSA-N 1 0 306.406 3.040 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000738987785 574888405 /nfs/dbraw/zinc/88/84/05/574888405.db2.gz XPKGLKBJKUMEKX-IAGOWNOFSA-N 1 0 317.477 3.272 10 0 DGAERO C[C@H]1C[N@H+](CCc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740882330 574944778 /nfs/dbraw/zinc/94/47/78/574944778.db2.gz LXDPIIYJFMQAAJ-DOTOQJQBSA-N 1 0 318.461 3.464 10 0 DGAERO CC[S@@](=O)CC[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000742369620 574992889 /nfs/dbraw/zinc/99/28/89/574992889.db2.gz AHBAIPNCYBZHFW-JOCHJYFZSA-N 1 0 317.454 3.220 10 0 DGAERO C/C(=C\C(=O)NC[C@@H]1CC[N@@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000729286599 575232257 /nfs/dbraw/zinc/23/22/57/575232257.db2.gz BIBXWNLKZGULLS-SIAZSYRFSA-N 1 0 316.489 3.217 10 0 DGAERO O=C(CCCC[NH+]1CCCC1)Nc1ccc2c(c1)CCCO2 ZINC000729358325 575238591 /nfs/dbraw/zinc/23/85/91/575238591.db2.gz PDMIDODTGNVOET-UHFFFAOYSA-N 1 0 302.418 3.216 10 0 DGAERO COCC[C@H](COC)[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000311817624 575979945 /nfs/dbraw/zinc/97/99/45/575979945.db2.gz MQSOXPRIYKHXNL-DMDPSCGWSA-N 1 0 301.477 3.315 10 0 DGAERO CCc1n[nH]cc1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000726164784 576011438 /nfs/dbraw/zinc/01/14/38/576011438.db2.gz UEQKAABSINZEOX-UHFFFAOYSA-N 1 0 315.764 3.064 10 0 DGAERO CC(C)(C)OC(=O)N(Cc1ccoc1)c1ccc(C[NH3+])nc1 ZINC000757133080 617643649 /nfs/dbraw/zinc/64/36/49/617643649.db2.gz GCZWHOLWDRLPCI-UHFFFAOYSA-N 1 0 303.362 3.075 10 0 DGAERO C[N@H+](Cn1ccc(C(F)(F)F)n1)[C@H]1CCc2ccccc2C1 ZINC000114445021 621006674 /nfs/dbraw/zinc/00/66/74/621006674.db2.gz YREZENJYKLDNFO-AWEZNQCLSA-N 1 0 309.335 3.349 10 0 DGAERO c1nn(-c2ccccc2)nc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000017310606 622309539 /nfs/dbraw/zinc/30/95/39/622309539.db2.gz RVEKJFRLPANQTR-UHFFFAOYSA-N 1 0 317.396 3.081 10 0 DGAERO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000123896537 622748443 /nfs/dbraw/zinc/74/84/43/622748443.db2.gz DOZGRVGKBGWZCM-SDBXPKJASA-N 1 0 301.217 3.298 10 0 DGAERO C[N@@H+](Cc1cc(Cl)nc2ccccc12)C[C@H]1CCC[C@@H]1O ZINC000129427099 625626008 /nfs/dbraw/zinc/62/60/08/625626008.db2.gz NBEDORJMRYSLOK-WBMJQRKESA-N 1 0 304.821 3.481 10 0 DGAERO CSCCCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000125033293 623277586 /nfs/dbraw/zinc/27/75/86/623277586.db2.gz DIQPSCUNAMEGQD-INIZCTEOSA-N 1 0 307.459 3.337 10 0 DGAERO COCc1cc([C@H](C)[NH2+]Cc2cccc(C)n2)ccc1OC ZINC000125522161 623478645 /nfs/dbraw/zinc/47/86/45/623478645.db2.gz JXQKYFDLKIUCFS-AWEZNQCLSA-N 1 0 300.402 3.396 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000126741648 624062602 /nfs/dbraw/zinc/06/26/02/624062602.db2.gz LGGVVWMIWJSLGS-ONGXEEELSA-N 1 0 322.257 3.221 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cc1Cl ZINC000126809449 624112821 /nfs/dbraw/zinc/11/28/21/624112821.db2.gz CALYSLHQHAHVEW-KOLCDFICSA-N 1 0 322.257 3.221 10 0 DGAERO C[NH2+]Cc1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2 ZINC000757136768 626751105 /nfs/dbraw/zinc/75/11/05/626751105.db2.gz QUSQFPODJWTOHD-UHFFFAOYSA-N 1 0 310.397 3.101 10 0 DGAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000757183803 626753308 /nfs/dbraw/zinc/75/33/08/626753308.db2.gz HASAHPDCLUJBHP-STQMWFEESA-N 1 0 315.335 3.350 10 0 DGAERO Cc1ncsc1COC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000133012342 626758895 /nfs/dbraw/zinc/75/88/95/626758895.db2.gz OXGRJEKMQSQVFI-OAHLLOKOSA-N 1 0 316.426 3.159 10 0 DGAERO C[C@H](O)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135502563 626935853 /nfs/dbraw/zinc/93/58/53/626935853.db2.gz SPEGOHUYRUSNSK-BONVTDFDSA-N 1 0 318.244 3.120 10 0 DGAERO COCc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)[C@@H]2C)c1 ZINC000886077704 627099653 /nfs/dbraw/zinc/09/96/53/627099653.db2.gz OUXVRMQESDFDLS-GUYCJALGSA-N 1 0 315.417 3.293 10 0 DGAERO CCOc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000222089899 627234292 /nfs/dbraw/zinc/23/42/92/627234292.db2.gz UUSUZARYOLDOAO-CQSZACIVSA-N 1 0 322.449 3.478 10 0 DGAERO Clc1nc2sccc2c(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000300156704 627257289 /nfs/dbraw/zinc/25/72/89/627257289.db2.gz OBSQRIVNMNHHNP-JTQLQIEISA-N 1 0 308.838 3.019 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(Cl)nc1Cl ZINC000300285231 627263836 /nfs/dbraw/zinc/26/38/36/627263836.db2.gz ROOUORMCXQCQBM-AAEUAGOBSA-N 1 0 314.260 3.447 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000300915218 627284691 /nfs/dbraw/zinc/28/46/91/627284691.db2.gz DLLINDYXPLKFJN-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000300980703 627286028 /nfs/dbraw/zinc/28/60/28/627286028.db2.gz KKZAFHKJRFCPCZ-MELADBBJSA-N 1 0 314.470 3.178 10 0 DGAERO COc1ccccc1CC[N@H+](C)Cn1nccc1-c1cccnc1 ZINC000104653497 630499237 /nfs/dbraw/zinc/49/92/37/630499237.db2.gz SJPFTAYGYMIIHO-UHFFFAOYSA-N 1 0 322.412 3.086 10 0 DGAERO C[C@@H](O)C[N@H+](C[C@H](O)c1ccccc1Cl)C1CCCCC1 ZINC000104683854 630507510 /nfs/dbraw/zinc/50/75/10/630507510.db2.gz UWJKXAJFABJMRT-DYVFJYSZSA-N 1 0 311.853 3.389 10 0 DGAERO C[C@@H]([NH3+])CCc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000109520304 632222367 /nfs/dbraw/zinc/22/23/67/632222367.db2.gz LKMQMGOSCYBXIK-MRVPVSSYSA-N 1 0 300.189 3.247 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000721873272 658315521 /nfs/dbraw/zinc/31/55/21/658315521.db2.gz MGOQQGSVVGEMDD-JTQLQIEISA-N 1 0 304.253 3.103 10 0 DGAERO CCSCC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000185297312 660213888 /nfs/dbraw/zinc/21/38/88/660213888.db2.gz FMORIPXMTNKMJI-QWHCGFSZSA-N 1 0 302.484 3.023 10 0 DGAERO Cc1cnc([C@@H]([NH2+]C[C@@](C)(O)c2ccccc2)C2CC2)s1 ZINC000185344123 660216922 /nfs/dbraw/zinc/21/69/22/660216922.db2.gz URJDQPRAFKLBCP-DOTOQJQBSA-N 1 0 302.443 3.400 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccc(F)cn1 ZINC000721923008 660443182 /nfs/dbraw/zinc/44/31/82/660443182.db2.gz DCRSFCJOLLZVJQ-TYNCELHUSA-N 1 0 323.412 3.127 10 0 DGAERO CCOC(=O)N1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000186462955 660444904 /nfs/dbraw/zinc/44/49/04/660444904.db2.gz URHFONWAAKMSCR-ZBFHGGJFSA-N 1 0 318.417 3.029 10 0 DGAERO CC[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)C(C)C ZINC000700257035 660618602 /nfs/dbraw/zinc/61/86/02/660618602.db2.gz LICULABXPBNHSA-CQSZACIVSA-N 1 0 314.470 3.085 10 0 DGAERO C[C@H]1CC[C@H](NC(=O)c2sc3ccccc3c2Cl)C[NH2+]1 ZINC000700335312 660621638 /nfs/dbraw/zinc/62/16/38/660621638.db2.gz OQIBUUJUJICZAE-UWVGGRQHSA-N 1 0 308.834 3.425 10 0 DGAERO C[C@@H](CCNCc1ccc(Br)c(F)c1)[NH+](C)C ZINC000700544156 660628612 /nfs/dbraw/zinc/62/86/12/660628612.db2.gz FJTBOXTWLFEFFC-JTQLQIEISA-N 1 0 303.219 3.018 10 0 DGAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cncs1 ZINC000701854096 660690504 /nfs/dbraw/zinc/69/05/04/660690504.db2.gz CAXFQGAGSIBCJC-FZWSLVFFSA-N 1 0 323.462 3.193 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000701956647 660694026 /nfs/dbraw/zinc/69/40/26/660694026.db2.gz SLXLDTKCPDGHIN-LSDHHAIUSA-N 1 0 324.371 3.032 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000701956397 660694176 /nfs/dbraw/zinc/69/41/76/660694176.db2.gz SLXLDTKCPDGHIN-CABCVRRESA-N 1 0 324.371 3.032 10 0 DGAERO Cc1csc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC000701955979 660694188 /nfs/dbraw/zinc/69/41/88/660694188.db2.gz WJQMAQVXDZOSMY-VXGBXAGGSA-N 1 0 313.467 3.358 10 0 DGAERO Cc1cc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)ccn1 ZINC000703449787 660779430 /nfs/dbraw/zinc/77/94/30/660779430.db2.gz DMBNPPJOSVPEID-UHFFFAOYSA-N 1 0 307.438 3.173 10 0 DGAERO CCN(CCC[NH2+][C@H](C)[C@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000705989963 660841374 /nfs/dbraw/zinc/84/13/74/660841374.db2.gz SHPBUIQZCNSJGX-HUUCEWRRSA-N 1 0 314.470 3.181 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000705960205 660843430 /nfs/dbraw/zinc/84/34/30/660843430.db2.gz PWCGBIRRUKMBJA-RBSFLKMASA-N 1 0 314.470 3.179 10 0 DGAERO C[NH+]1C[C@]2(C)CN(Cc3nc(Cl)ccc3Cl)C[C@@]2(C)C1 ZINC000706232473 660850701 /nfs/dbraw/zinc/85/07/01/660850701.db2.gz AIFXTFCTYGXTIY-HUUCEWRRSA-N 1 0 314.260 3.162 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000706476502 660859885 /nfs/dbraw/zinc/85/98/85/660859885.db2.gz KWOIQCJTEHOLCH-YIYPIFLZSA-N 1 0 314.495 3.258 10 0 DGAERO CSC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707920983 660915601 /nfs/dbraw/zinc/91/56/01/660915601.db2.gz ZLMHADCCKVOCNY-RQJABVFESA-N 1 0 314.495 3.116 10 0 DGAERO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000708599352 660924573 /nfs/dbraw/zinc/92/45/73/660924573.db2.gz RGEZQMUOKWSSDQ-YPMHNXCESA-N 1 0 317.260 3.101 10 0 DGAERO C[C@H](F)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709317257 660928146 /nfs/dbraw/zinc/92/81/46/660928146.db2.gz MTBKISKXWKVULD-XUXIUFHCSA-N 1 0 300.418 3.112 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000709405429 660928167 /nfs/dbraw/zinc/92/81/67/660928167.db2.gz LBRHPJZUNIPCON-UKRFAEJPSA-N 1 0 308.466 3.409 10 0 DGAERO CC1(C)C[NH2+]C[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000711167333 660940808 /nfs/dbraw/zinc/94/08/08/660940808.db2.gz MISGKMNHCDDBCE-LLVKDONJSA-N 1 0 322.206 3.212 10 0 DGAERO C[C@H](CCCC(F)(F)F)N1CCc2sc(C[NH3+])nc2C1 ZINC000710238655 660932820 /nfs/dbraw/zinc/93/28/20/660932820.db2.gz JLOUIIQZSGUCPQ-SECBINFHSA-N 1 0 307.385 3.081 10 0 DGAERO COC1(OC)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000710962321 660938820 /nfs/dbraw/zinc/93/88/20/660938820.db2.gz ANTGUNCQWJTVRV-ZDUSSCGKSA-N 1 0 304.217 3.277 10 0 DGAERO CCC([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)(C1CC1)C1CC1 ZINC000710979441 660939425 /nfs/dbraw/zinc/93/94/25/660939425.db2.gz MLPDPOCHRUZBBA-UHFFFAOYSA-N 1 0 308.466 3.412 10 0 DGAERO CCSCC[C@@H](C)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711391749 660949437 /nfs/dbraw/zinc/94/94/37/660949437.db2.gz MSNVVIPXZMTNPZ-MCIONIFRSA-N 1 0 316.511 3.411 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+]C[C@H](O)c1ccccc1Cl ZINC000187088337 660949766 /nfs/dbraw/zinc/94/97/66/660949766.db2.gz OUSZGRDIIQTSCM-ABAIWWIYSA-N 1 0 306.793 3.128 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCC3(CCC3)O2)C1 ZINC000711406763 660950349 /nfs/dbraw/zinc/95/03/49/660950349.db2.gz KAYKPOMPJZFWSM-LSDHHAIUSA-N 1 0 324.465 3.077 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCC3(CCC3)O2)C1 ZINC000711406758 660950411 /nfs/dbraw/zinc/95/04/11/660950411.db2.gz KAYKPOMPJZFWSM-HUUCEWRRSA-N 1 0 324.465 3.077 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@H]2CCCC23CC3)C1 ZINC000711416437 660951477 /nfs/dbraw/zinc/95/14/77/660951477.db2.gz FDCCSQCIACDZTG-SLTAFYQDSA-N 1 0 308.466 3.460 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000711417003 660951585 /nfs/dbraw/zinc/95/15/85/660951585.db2.gz GXHQQZMBZPYZOG-CPCZMJQVSA-N 1 0 318.408 3.457 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC000711423445 660951624 /nfs/dbraw/zinc/95/16/24/660951624.db2.gz GUNRNCIOJVGRIX-OTVXOJSOSA-N 1 0 322.424 3.261 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000187101082 660951649 /nfs/dbraw/zinc/95/16/49/660951649.db2.gz VZLOEAYSFQANPZ-XHDPSFHLSA-N 1 0 306.793 3.128 10 0 DGAERO C[C@@H](C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)CC(F)(F)F ZINC000711459653 660954008 /nfs/dbraw/zinc/95/40/08/660954008.db2.gz MVYQUFMBXJJMIR-UTUOFQBUSA-N 1 0 324.387 3.468 10 0 DGAERO C[C@@H]1C[C@@H](NCc2nccn2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000711763291 660962532 /nfs/dbraw/zinc/96/25/32/660962532.db2.gz AXXNCYDJUXXNDD-AEFFLSMTSA-N 1 0 324.472 3.361 10 0 DGAERO Brc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)o1 ZINC000711833180 660963636 /nfs/dbraw/zinc/96/36/36/660963636.db2.gz MEPWQQDICIHTHV-BXUZGUMPSA-N 1 0 314.223 3.337 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@H](C3CCC3)[C@H]3CCOC3)C2)cc1 ZINC000711830938 660963922 /nfs/dbraw/zinc/96/39/22/660963922.db2.gz FTGRYJGUZRIAOS-SLFFLAALSA-N 1 0 314.473 3.056 10 0 DGAERO CSCC[C@@H](C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711492647 660955481 /nfs/dbraw/zinc/95/54/81/660955481.db2.gz RZCMLKOYFLSREH-PNESKVBLSA-N 1 0 302.484 3.021 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCCSC2)C1 ZINC000711491342 660955491 /nfs/dbraw/zinc/95/54/91/660955491.db2.gz MTHZTSJYMBWVAM-MELADBBJSA-N 1 0 314.495 3.023 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3ccns3)CCC[C@H]12 ZINC000711699039 660961751 /nfs/dbraw/zinc/96/17/51/660961751.db2.gz SVFOPTRPYJGLDT-BBRMVZONSA-N 1 0 323.462 3.165 10 0 DGAERO C[C@]1(CNCc2nccn2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000711746840 660962178 /nfs/dbraw/zinc/96/21/78/660962178.db2.gz PLJLXSVZXXAXAY-HXUWFJFHSA-N 1 0 324.472 3.220 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCCCCCO)c1 ZINC000175743867 655542605 /nfs/dbraw/zinc/54/26/05/655542605.db2.gz NGNPVXZVZUWJPU-QGZVFWFLSA-N 1 0 307.434 3.393 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)/C=C(\C)Cc1ccccc1OC ZINC000254977932 655551762 /nfs/dbraw/zinc/55/17/62/655551762.db2.gz USSKRYQJOWMDKV-QJPKHSJYSA-N 1 0 318.461 3.031 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000248755633 655555788 /nfs/dbraw/zinc/55/57/88/655555788.db2.gz CNQAMEZBAKZYOA-RTBURBONSA-N 1 0 300.446 3.323 10 0 DGAERO C=CCCC[C@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000091508624 655580521 /nfs/dbraw/zinc/58/05/21/655580521.db2.gz IJJHHYNRKWSPGF-DZGCQCFKSA-N 1 0 305.418 3.298 10 0 DGAERO C=CCCC[C@@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000091508626 655580569 /nfs/dbraw/zinc/58/05/69/655580569.db2.gz IJJHHYNRKWSPGF-UKRRQHHQSA-N 1 0 305.418 3.298 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)/C=C\c1ccnc2ccccc12 ZINC000255108101 655599040 /nfs/dbraw/zinc/59/90/40/655599040.db2.gz BUWGXAYBKPDHSZ-YDZSZYSISA-N 1 0 323.440 3.239 10 0 DGAERO c1csc(CC[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160603837 655658394 /nfs/dbraw/zinc/65/83/94/655658394.db2.gz MCEWLXAZNKCKQS-HNNXBMFYSA-N 1 0 316.474 3.446 10 0 DGAERO CCCCOC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000157802670 655681777 /nfs/dbraw/zinc/68/17/77/655681777.db2.gz PRUYHZKYAQJPAB-CQSZACIVSA-N 1 0 310.463 3.364 10 0 DGAERO COc1ccccc1C[N@H+](C)C[C@H](O)c1cc(F)ccc1F ZINC000051114220 655700655 /nfs/dbraw/zinc/70/06/55/655700655.db2.gz NOIYABFVBWENHC-INIZCTEOSA-N 1 0 307.340 3.139 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1c1ncc(Br)cc1Cl ZINC000234401769 655732741 /nfs/dbraw/zinc/73/27/41/655732741.db2.gz WNYPVUMDHXLPHQ-SNVBAGLBSA-N 1 0 318.646 3.076 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000723987300 655733560 /nfs/dbraw/zinc/73/35/60/655733560.db2.gz MEQIWYOQKTYJSL-QRVBRYPASA-N 1 0 302.462 3.056 10 0 DGAERO CC[C@H]([NH2+]Cc1ncccc1Br)[C@H]1CCCOC1 ZINC000724004723 655735386 /nfs/dbraw/zinc/73/53/86/655735386.db2.gz VMZNOROZEFZUFX-AAEUAGOBSA-N 1 0 313.239 3.139 10 0 DGAERO CC[C@@H]([NH2+]Cc1occc1Br)[C@@H]1CCCOC1 ZINC000724015517 655736956 /nfs/dbraw/zinc/73/69/56/655736956.db2.gz VGBWMYHFDPUGBO-ZYHUDNBSSA-N 1 0 302.212 3.337 10 0 DGAERO CC(C)(C)SCC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724046781 655738863 /nfs/dbraw/zinc/73/88/63/655738863.db2.gz FDDUWRDNCYCUHR-SECBINFHSA-N 1 0 309.344 3.056 10 0 DGAERO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724055842 655739388 /nfs/dbraw/zinc/73/93/88/655739388.db2.gz BLVNATNROJUSAH-AEJSXWLSSA-N 1 0 321.355 3.199 10 0 DGAERO Cc1scc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1C ZINC000724060026 655739909 /nfs/dbraw/zinc/73/99/09/655739909.db2.gz SGGITMOJIJGHNG-SNVBAGLBSA-N 1 0 317.323 3.403 10 0 DGAERO CC[N@H+](Cc1ccoc1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724113846 655743302 /nfs/dbraw/zinc/74/33/02/655743302.db2.gz IDERIQHBSCHIOU-JTQLQIEISA-N 1 0 301.255 3.050 10 0 DGAERO OC1(C[NH+]2CCN(c3cccc(Cl)c3)CC2)CCCCC1 ZINC000065167208 655745288 /nfs/dbraw/zinc/74/52/88/655745288.db2.gz KZBHAEMSTTXYCJ-UHFFFAOYSA-N 1 0 308.853 3.157 10 0 DGAERO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)ccc1Cl ZINC000724617404 655794760 /nfs/dbraw/zinc/79/47/60/655794760.db2.gz FCJQWMGGKSNEMM-MAWWSGROSA-N 1 0 316.228 3.448 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)cc1Cl ZINC000724642943 655802974 /nfs/dbraw/zinc/80/29/74/655802974.db2.gz KYKDYMIAVZSQOD-HOZXKAFVSA-N 1 0 316.228 3.448 10 0 DGAERO Cc1ccccc1C[C@@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000712405570 661188033 /nfs/dbraw/zinc/18/80/33/661188033.db2.gz DTSZCJFKAGFXJX-GFCCVEGCSA-N 1 0 322.250 3.212 10 0 DGAERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2Br)C1 ZINC000712477024 661188585 /nfs/dbraw/zinc/18/85/85/661188585.db2.gz PWJIWGMVRGPSNB-GHMZBOCLSA-N 1 0 300.244 3.099 10 0 DGAERO CC[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000712471193 661188690 /nfs/dbraw/zinc/18/86/90/661188690.db2.gz QANNRGQIFVSRGF-PWSUYJOCSA-N 1 0 300.244 3.241 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712477129 661188720 /nfs/dbraw/zinc/18/87/20/661188720.db2.gz RUWTYVBSVFQJGY-PWSUYJOCSA-N 1 0 300.244 3.241 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N2CC[NH2+]CCC2(C)C)c1 ZINC000712508085 661188996 /nfs/dbraw/zinc/18/89/96/661188996.db2.gz XBSFFPWUPKQFFD-UHFFFAOYSA-N 1 0 312.866 3.276 10 0 DGAERO CO[C@@H]1CCC[C@H]1[NH2+]CCc1sccc1Br ZINC000713015839 661189865 /nfs/dbraw/zinc/18/98/65/661189865.db2.gz QDLYKXYOIZLZLO-GHMZBOCLSA-N 1 0 304.253 3.210 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]CCc2sccc2Br)CO[C@H]1C ZINC000713015303 661189874 /nfs/dbraw/zinc/18/98/74/661189874.db2.gz ZKWLJXYRUWJPLE-QXEWZRGKSA-N 1 0 304.253 3.066 10 0 DGAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CCO1 ZINC000721527494 655815923 /nfs/dbraw/zinc/81/59/23/655815923.db2.gz HBVSESNVVKYKHE-OTWHNJEPSA-N 1 0 316.489 3.444 10 0 DGAERO C[C@H]([NH2+]CCc1sccc1Br)[C@H]1CCCO1 ZINC000713082878 661190287 /nfs/dbraw/zinc/19/02/87/661190287.db2.gz WAJIYLZFSSUHTF-GXSJLCMTSA-N 1 0 304.253 3.210 10 0 DGAERO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000713109086 661190310 /nfs/dbraw/zinc/19/03/10/661190310.db2.gz BGIGNDPNATYHBR-ZIAGYGMSSA-N 1 0 301.496 3.006 10 0 DGAERO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3c(Cl)cccc3Cl)C[C@H]12 ZINC000261641915 655821983 /nfs/dbraw/zinc/82/19/83/655821983.db2.gz CJEIXRSSZBKNES-UHIISALHSA-N 1 0 315.244 3.041 10 0 DGAERO C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccc(Cl)c(Cl)c1 ZINC000713364638 661191025 /nfs/dbraw/zinc/19/10/25/661191025.db2.gz KLAIVYJAZRPJSG-IGRCHAIXSA-N 1 0 313.228 3.298 10 0 DGAERO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1Br ZINC000713817696 661194525 /nfs/dbraw/zinc/19/45/25/661194525.db2.gz QBQBNKSPIJOQGR-LBPRGKRZSA-N 1 0 300.244 3.193 10 0 DGAERO Cn1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(Br)n1 ZINC000713828991 661194549 /nfs/dbraw/zinc/19/45/49/661194549.db2.gz PWUPGMLFTGMKGW-CYBMUJFWSA-N 1 0 320.234 3.172 10 0 DGAERO N[C@@H](Cc1nc(Cc2ccc(Cl)cc2Cl)no1)C(F)F ZINC000725080636 655854341 /nfs/dbraw/zinc/85/43/41/655854341.db2.gz WERAKVMESPMCRI-VIFPVBQESA-N 1 0 322.142 3.102 10 0 DGAERO CSCc1ccc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000725119244 655855850 /nfs/dbraw/zinc/85/58/50/655855850.db2.gz RIVZOISOCUYEIS-UHFFFAOYSA-N 1 0 322.474 3.259 10 0 DGAERO Cn1cc(C[N@@H+]2CCCC(C)(C)CC2)c(Br)n1 ZINC000713861192 661195215 /nfs/dbraw/zinc/19/52/15/661195215.db2.gz RUIAOAWZDVZKCX-UHFFFAOYSA-N 1 0 300.244 3.195 10 0 DGAERO CC[N@@H+](Cc1ccc(SC(=O)N(C)C)cc1)C[C@@H]1CCCO1 ZINC000176928618 655869968 /nfs/dbraw/zinc/86/99/68/655869968.db2.gz AETJPEJWWPZPOY-HNNXBMFYSA-N 1 0 322.474 3.461 10 0 DGAERO COc1ccc(Cl)cc1CN(CCC[NH3+])CC(F)(F)F ZINC000714348373 661198687 /nfs/dbraw/zinc/19/86/87/661198687.db2.gz ABLHWWGDYDSFPB-UHFFFAOYSA-N 1 0 310.747 3.062 10 0 DGAERO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000714335107 661198940 /nfs/dbraw/zinc/19/89/40/661198940.db2.gz PHOHMWAHEFMQDR-GFCCVEGCSA-N 1 0 322.257 3.050 10 0 DGAERO CSC1(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC000309874213 655885756 /nfs/dbraw/zinc/88/57/56/655885756.db2.gz UEZDLQFXPCAZOL-CYBMUJFWSA-N 1 0 314.495 3.119 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179342829 655889424 /nfs/dbraw/zinc/88/94/24/655889424.db2.gz AIMFUSOBTBCCTF-BYIUCRAPSA-N 1 0 304.821 3.050 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/Sc2ccccc2)C1 ZINC000177058013 655891990 /nfs/dbraw/zinc/89/19/90/655891990.db2.gz RVZBCSRFVDSRSC-MVHLYKQMSA-N 1 0 304.459 3.137 10 0 DGAERO Cc1ccc(OCC[N@@H+](C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000066347945 655947681 /nfs/dbraw/zinc/94/76/81/655947681.db2.gz OTAVDGYRAVYUHN-SFHVURJKSA-N 1 0 303.377 3.178 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000715076974 661207874 /nfs/dbraw/zinc/20/78/74/661207874.db2.gz NPQPVIOBWIPVBC-RWMBFGLXSA-N 1 0 318.408 3.315 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)C1 ZINC000255905490 655964039 /nfs/dbraw/zinc/96/40/39/655964039.db2.gz AYAFUVFZLRMNQZ-NLZINVLXSA-N 1 0 300.446 3.160 10 0 DGAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)C1(Cl)CC1 ZINC000715108014 661208641 /nfs/dbraw/zinc/20/86/41/661208641.db2.gz DDMNHKRCMXKPQN-VOMCLLRMSA-N 1 0 302.846 3.039 10 0 DGAERO [NH3+][C@H]1C[C@@H](CNc2ncc(Br)cc2C(F)(F)F)C1 ZINC000715125876 661208925 /nfs/dbraw/zinc/20/89/25/661208925.db2.gz QYTHBBYZQJTBLT-WRXNHJIOSA-N 1 0 324.144 3.012 10 0 DGAERO CCC1([NH+](C)C)CCN(c2cccc(Br)n2)CC1 ZINC000715239162 661209352 /nfs/dbraw/zinc/20/93/52/661209352.db2.gz PFPWPSVOIVLAMA-UHFFFAOYSA-N 1 0 312.255 3.155 10 0 DGAERO Cc1sccc1C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000715152077 661209363 /nfs/dbraw/zinc/20/93/63/661209363.db2.gz JCOLYOQZTLLQGK-UHFFFAOYSA-N 1 0 310.463 3.449 10 0 DGAERO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@]1(C)CCCS1)C1CC1 ZINC000327906698 656008737 /nfs/dbraw/zinc/00/87/37/656008737.db2.gz PZNUGXVHXADNND-CZUORRHYSA-N 1 0 314.495 3.165 10 0 DGAERO Cc1cc(N2CCC[C@H](OC(=O)CC(C)(C)C)C2)nc(C)n1 ZINC000066731107 656009531 /nfs/dbraw/zinc/00/95/31/656009531.db2.gz PLOSUNDQEIILMI-AWEZNQCLSA-N 1 0 305.422 3.042 10 0 DGAERO C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc(C[NH3+])cc1 ZINC000037012699 661212822 /nfs/dbraw/zinc/21/28/22/661212822.db2.gz WYQBSHJRCGVQQO-GFCCVEGCSA-N 1 0 302.805 3.160 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC[C@@H]1CCCS1 ZINC000715715143 661214123 /nfs/dbraw/zinc/21/41/23/661214123.db2.gz GDLYFRDXAQPOJD-LBPRGKRZSA-N 1 0 302.484 3.165 10 0 DGAERO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccns1 ZINC000715967582 661216773 /nfs/dbraw/zinc/21/67/73/661216773.db2.gz SRYGRGDCPZPYAP-VIFPVBQESA-N 1 0 310.806 3.419 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccns1 ZINC000716045795 661217046 /nfs/dbraw/zinc/21/70/46/661217046.db2.gz CDNRHVIDPJTLPL-GHMZBOCLSA-N 1 0 311.451 3.049 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccns1 ZINC000715996191 661217790 /nfs/dbraw/zinc/21/77/90/661217790.db2.gz UUEYICGPCDOGLR-NWDGAFQWSA-N 1 0 311.451 3.193 10 0 DGAERO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000309801688 656058057 /nfs/dbraw/zinc/05/80/57/656058057.db2.gz JZQXQPQALQRWLL-AXFHLTTASA-N 1 0 311.426 3.244 10 0 DGAERO c1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000716276136 661220551 /nfs/dbraw/zinc/22/05/51/661220551.db2.gz HJNKOSOLKPIYCT-RTBURBONSA-N 1 0 314.473 3.342 10 0 DGAERO Cc1nn(C)c(C[NH2+]CCCCC2CC2)c1Br ZINC000716386582 661223104 /nfs/dbraw/zinc/22/31/04/661223104.db2.gz NVYVKOUZZXXPIG-UHFFFAOYSA-N 1 0 300.244 3.161 10 0 DGAERO C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000716527271 661224576 /nfs/dbraw/zinc/22/45/76/661224576.db2.gz MSAJGSYOSBFCQR-JTQLQIEISA-N 1 0 315.244 3.040 10 0 DGAERO CC[C@@H](C)OCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183184194 656111265 /nfs/dbraw/zinc/11/12/65/656111265.db2.gz IMDCFBYJNUHELN-WBVHZDCISA-N 1 0 305.418 3.009 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N[C@H](C)C2CC[NH2+]CC2)c1 ZINC000716634343 661225651 /nfs/dbraw/zinc/22/56/51/661225651.db2.gz SXSXHMDOLXSXCL-SNVBAGLBSA-N 1 0 312.866 3.180 10 0 DGAERO CC(C)OC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310028464 656134225 /nfs/dbraw/zinc/13/42/25/656134225.db2.gz WNNZPSZOXNIBSW-QGZVFWFLSA-N 1 0 304.434 3.423 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)c(C)s1 ZINC000716808533 661229411 /nfs/dbraw/zinc/22/94/11/661229411.db2.gz AEYFBBNWRFQVKI-SCZZXKLOSA-N 1 0 306.269 3.458 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000716885010 661230108 /nfs/dbraw/zinc/23/01/08/661230108.db2.gz JYDSPIDBJBJCER-OUJBWJOFSA-N 1 0 301.228 3.044 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000716887491 661230191 /nfs/dbraw/zinc/23/01/91/661230191.db2.gz RZTDJNSAZPVYMX-HOSYDEDBSA-N 1 0 301.228 3.044 10 0 DGAERO Cc1nn(C)c(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)c1Br ZINC000717157737 661256063 /nfs/dbraw/zinc/25/60/63/661256063.db2.gz SVIJWWQZBIAMCD-QJPTWQEYSA-N 1 0 312.255 3.017 10 0 DGAERO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cscc1C(F)F ZINC000717205975 661256874 /nfs/dbraw/zinc/25/68/74/661256874.db2.gz DVFYILYFPZSXHP-SECBINFHSA-N 1 0 300.374 3.090 10 0 DGAERO C[C@H]1CCCN(C(=O)c2cscc2C(F)F)[C@@H]1CC[NH3+] ZINC000717222075 661257495 /nfs/dbraw/zinc/25/74/95/661257495.db2.gz AVRVXKAFVOBAHX-JOYOIKCWSA-N 1 0 302.390 3.275 10 0 DGAERO O[C@@H](CC[NH2+]Cc1ccc(CSC(F)F)o1)C(F)(F)F ZINC000717411921 661264569 /nfs/dbraw/zinc/26/45/69/661264569.db2.gz CXKMVUQEGXYCFE-VIFPVBQESA-N 1 0 319.295 3.138 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cncc(Br)c1 ZINC000717625162 661265866 /nfs/dbraw/zinc/26/58/66/661265866.db2.gz LVZFZRWXORMZPH-GWCFXTLKSA-N 1 0 313.239 3.310 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000037621769 661268117 /nfs/dbraw/zinc/26/81/17/661268117.db2.gz IVZFKWIYSLEOAB-IINYFYTJSA-N 1 0 313.239 3.144 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cccnc1 ZINC000723831900 656501535 /nfs/dbraw/zinc/50/15/35/656501535.db2.gz FZGOSFCBDWTPGY-IJEWVQPXSA-N 1 0 319.449 3.235 10 0 DGAERO CC[C@@H]([NH2+]Cc1ncc(Br)s1)[C@@H]1CCCOC1 ZINC000723957620 656505034 /nfs/dbraw/zinc/50/50/34/656505034.db2.gz DEOOABPKDQUESN-NXEZZACHSA-N 1 0 319.268 3.200 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000724059874 656507249 /nfs/dbraw/zinc/50/72/49/656507249.db2.gz UPQLQRIGKPIBMI-XUJVJEKNSA-N 1 0 318.408 3.315 10 0 DGAERO CC(C)O[C@]1(C[NH2+]Cc2ccc(Cl)c(F)c2)CCOC1 ZINC000722355852 656509853 /nfs/dbraw/zinc/50/98/53/656509853.db2.gz HFGBWIMUCMTRJQ-HNNXBMFYSA-N 1 0 301.789 3.153 10 0 DGAERO CC(C)O[C@]1(C[NH2+]Cc2ccc(F)c(Cl)c2)CCOC1 ZINC000722357391 656511167 /nfs/dbraw/zinc/51/11/67/656511167.db2.gz PRVVFJNRRDUDFY-HNNXBMFYSA-N 1 0 301.789 3.153 10 0 DGAERO Cc1nc(C)c(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)[nH]1 ZINC000724778957 656527504 /nfs/dbraw/zinc/52/75/04/656527504.db2.gz YAMOZRJFHNKFJY-UHFFFAOYSA-N 1 0 300.450 3.027 10 0 DGAERO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094374951 656576519 /nfs/dbraw/zinc/57/65/19/656576519.db2.gz NKXMLAMYJXKTPG-FZMZJTMJSA-N 1 0 310.463 3.387 10 0 DGAERO CC1(C(=O)Oc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000163106860 656969983 /nfs/dbraw/zinc/96/99/83/656969983.db2.gz COPFQDTZBUMIAF-UHFFFAOYSA-N 1 0 303.402 3.257 10 0 DGAERO CCc1ccc2oc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)c(C)c2c1 ZINC000222553434 657078521 /nfs/dbraw/zinc/07/85/21/657078521.db2.gz RINUBCDFCFKJKJ-MRXNPFEDSA-N 1 0 312.413 3.128 10 0 DGAERO C[NH2+][C@H](C)CNC(=O)c1sc(-c2ccc(C)cc2C)nc1C ZINC000261802196 657108070 /nfs/dbraw/zinc/10/80/70/657108070.db2.gz RWBVNRPFXWAOKS-GFCCVEGCSA-N 1 0 317.458 3.073 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000049183572 657358931 /nfs/dbraw/zinc/35/89/31/657358931.db2.gz WXOSYDYGJFEKEW-GFCCVEGCSA-N 1 0 304.415 3.354 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1cccc(Cl)c1 ZINC000250895167 657496193 /nfs/dbraw/zinc/49/61/93/657496193.db2.gz IQJTVQGVPBSDAI-ZCDTZLGTSA-N 1 0 306.837 3.438 10 0 DGAERO CO[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1C ZINC000251700213 657529107 /nfs/dbraw/zinc/52/91/07/657529107.db2.gz JYDGVASBEGTJRE-COLVAYQJSA-N 1 0 318.244 3.384 10 0 DGAERO CO[C@@H]1CN(CC(=O)Nc2ccc(C(C)C)cc2)CC[C@@H]1C ZINC000251698729 657529613 /nfs/dbraw/zinc/52/96/13/657529613.db2.gz JWCBNWZHRLQTSL-WMLDXEAASA-N 1 0 304.434 3.105 10 0 DGAERO [NH3+][C@H]1CC[C@@H](c2nc(Cc3cccc(Br)c3)no2)C1 ZINC000097067875 657591853 /nfs/dbraw/zinc/59/18/53/657591853.db2.gz HOOWGXGIMRDTNS-PWSUYJOCSA-N 1 0 322.206 3.018 10 0 DGAERO COCCOCCC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722118415 657734163 /nfs/dbraw/zinc/73/41/63/657734163.db2.gz QYLKOIGVVORHKO-UHFFFAOYSA-N 1 0 306.233 3.179 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000720846494 658148997 /nfs/dbraw/zinc/14/89/97/658148997.db2.gz VOSIOLDNMAPBEE-NXEZZACHSA-N 1 0 310.722 3.048 10 0 DGAERO C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccncc1 ZINC000721865677 658240901 /nfs/dbraw/zinc/24/09/01/658240901.db2.gz DBAQWXSMZVRJSJ-ZFWWWQNUSA-N 1 0 319.449 3.378 10 0 DGAERO O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N(Cc1ccccc1)c1ccccc1 ZINC000720958749 658254194 /nfs/dbraw/zinc/25/41/94/658254194.db2.gz NPSNCTNHGMZYIV-QYZOEREBSA-N 1 0 306.409 3.075 10 0 DGAERO c1cnn(-c2ccccc2C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000321741285 658306944 /nfs/dbraw/zinc/30/69/44/658306944.db2.gz UQCJAJGPKGXSPB-KRWDZBQOSA-N 1 0 311.429 3.454 10 0 DGAERO C[C@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc(Cl)cc1Cl ZINC000721022497 658398766 /nfs/dbraw/zinc/39/87/66/658398766.db2.gz OIYKUPMJJTWVCN-PRAYIBQGSA-N 1 0 313.228 3.026 10 0 DGAERO CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000721215419 658685739 /nfs/dbraw/zinc/68/57/39/658685739.db2.gz PMNPBRRKOMDYGL-CBBWQLFWSA-N 1 0 314.470 3.225 10 0 DGAERO Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721897940 658760725 /nfs/dbraw/zinc/76/07/25/658760725.db2.gz KAXFSONCHDEVQT-CQSZACIVSA-N 1 0 323.437 3.027 10 0 DGAERO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1scnc1Cl ZINC000721963894 658765299 /nfs/dbraw/zinc/76/52/99/658765299.db2.gz SFGJXNSCYVBALE-GRYCIOLGSA-N 1 0 300.855 3.312 10 0 DGAERO CCCOc1ccc(Br)cc1C[NH2+][C@H](C)[C@H](C)O ZINC000349272544 658937418 /nfs/dbraw/zinc/93/74/18/658937418.db2.gz AGULGFGRSJPZGZ-MNOVXSKESA-N 1 0 316.239 3.097 10 0 DGAERO C[C@H](NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000722590765 658979268 /nfs/dbraw/zinc/97/92/68/658979268.db2.gz JDUUVFMCKCIVRK-JFGNBEQYSA-N 1 0 315.244 3.416 10 0 DGAERO COc1c2c(sc1C(=O)N[C@H](C)CCC[NH+](C)C)CCCC2 ZINC000223466182 658980801 /nfs/dbraw/zinc/98/08/01/658980801.db2.gz HGJOPZSGFVVSSX-GFCCVEGCSA-N 1 0 324.490 3.096 10 0 DGAERO COc1ccc(CNC(=[NH2+])Nc2ccccc2)cc1OC(F)F ZINC000057887423 659034048 /nfs/dbraw/zinc/03/40/48/659034048.db2.gz JFYUGTNXKLICND-UHFFFAOYSA-N 1 0 321.327 3.433 10 0 DGAERO Cc1cnc(CC[N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)s1 ZINC000157662018 659081967 /nfs/dbraw/zinc/08/19/67/659081967.db2.gz YPYKDCCGIOFWCS-CQSZACIVSA-N 1 0 310.850 3.313 10 0 DGAERO C[C@@H](CCc1ccco1)[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000227759692 659163770 /nfs/dbraw/zinc/16/37/70/659163770.db2.gz PXEJWMZTGFULBF-GJBLVYBDSA-N 1 0 308.422 3.271 10 0 DGAERO Cc1cc(-c2noc(CC[C@H](C)[NH3+])n2)cc(C)c1Br ZINC000228363510 659189736 /nfs/dbraw/zinc/18/97/36/659189736.db2.gz AOOBFTMDIJRFBU-JTQLQIEISA-N 1 0 324.222 3.396 10 0 DGAERO O[C@@H](C[NH2+]CCc1cc(F)cc(F)c1)c1ccccc1Cl ZINC000060718476 659195885 /nfs/dbraw/zinc/19/58/85/659195885.db2.gz KMBYLCUOMSCFDW-INIZCTEOSA-N 1 0 311.759 3.484 10 0 DGAERO C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@@H]1CSCCS1 ZINC000229597480 659271974 /nfs/dbraw/zinc/27/19/74/659271974.db2.gz IDIYTBWDYUCHEP-UONOGXRCSA-N 1 0 301.521 3.307 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000229839892 659285693 /nfs/dbraw/zinc/28/56/93/659285693.db2.gz UYAXNHYJPITJBV-PIMMBPRGSA-N 1 0 318.417 3.156 10 0 DGAERO CN(C(=O)OC(C)(C)C)C1CC[NH+](C[Si](C)(C)C)CC1 ZINC000171747006 659296449 /nfs/dbraw/zinc/29/64/49/659296449.db2.gz MKFQHVIYBBKPLB-UHFFFAOYSA-N 1 0 300.519 3.195 10 0 DGAERO CN(C)c1nn(CN2CCC(C(C)(C)C)CC2)c(=S)s1 ZINC000172013450 659310834 /nfs/dbraw/zinc/31/08/34/659310834.db2.gz MVNIRLAZQACBIG-UHFFFAOYSA-N 1 0 314.524 3.456 10 0 DGAERO c1c2c(sc1-c1nc(C[C@@H]3CCC[NH2+]C3)no1)CCCC2 ZINC000063084680 659363640 /nfs/dbraw/zinc/36/36/40/659363640.db2.gz JUWDQJMIHKLIGC-NSHDSACASA-N 1 0 303.431 3.219 10 0 DGAERO CC(C)CCCCCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173308540 659379229 /nfs/dbraw/zinc/37/92/29/659379229.db2.gz KQGAZTPPGSZZHO-QGZVFWFLSA-N 1 0 307.482 3.249 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000231721140 659397858 /nfs/dbraw/zinc/39/78/58/659397858.db2.gz KHISQXBCZKSKOR-VXGBXAGGSA-N 1 0 314.813 3.468 10 0 DGAERO O[C@@H](C[N@H+](C[C@@H]1CCCO1)C1CCCC1)c1ccc(F)cc1 ZINC000173835835 659403224 /nfs/dbraw/zinc/40/32/24/659403224.db2.gz FKNONQGWBJTJRV-ROUUACIJSA-N 1 0 307.409 3.283 10 0 DGAERO Cc1cc(C)cc([C@H](O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000173949234 659406591 /nfs/dbraw/zinc/40/65/91/659406591.db2.gz NMZZAZNRFBLSOU-RBUKOAKNSA-N 1 0 304.478 3.143 10 0 DGAERO O=C(CCC(F)(F)F)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174339970 659428187 /nfs/dbraw/zinc/42/81/87/659428187.db2.gz PNHTVZZUKWJITB-ZDUSSCGKSA-N 1 0 301.308 3.147 10 0 DGAERO C[C@H]([NH2+]CC1(O)CCCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000174331751 659428229 /nfs/dbraw/zinc/42/82/29/659428229.db2.gz IUQYPKRZPYOKIX-LBPRGKRZSA-N 1 0 319.380 3.222 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000068079648 659938065 /nfs/dbraw/zinc/93/80/65/659938065.db2.gz WAUHTRJUNLBXQO-UHFFFAOYSA-N 1 0 317.820 3.054 10 0 DGAERO CCCc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000179690821 659938745 /nfs/dbraw/zinc/93/87/45/659938745.db2.gz YWVMSIYYMWHNFI-WMLDXEAASA-N 1 0 301.434 3.340 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000237963767 659950650 /nfs/dbraw/zinc/95/06/50/659950650.db2.gz XFLXGCMNNKRRQA-OTWHNJEPSA-N 1 0 308.425 3.214 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CN1Cc1ccccc1 ZINC000353393772 659973809 /nfs/dbraw/zinc/97/38/09/659973809.db2.gz KDABKJSBIFBQEW-QGPMSJSTSA-N 1 0 310.445 3.040 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353521757 659995555 /nfs/dbraw/zinc/99/55/55/659995555.db2.gz SLCLPJRTEHGBNW-LZQZEXGQSA-N 1 0 324.472 3.287 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)CCC2 ZINC000353531484 659996650 /nfs/dbraw/zinc/99/66/50/659996650.db2.gz VGRPRSKMVNNZGZ-FUHWJXTLSA-N 1 0 310.445 3.041 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C[C@@H]1CCCN(c3ccccc3)C1)CCC2 ZINC000353596118 660009307 /nfs/dbraw/zinc/00/93/07/660009307.db2.gz PWEGWLIPQPADFQ-YJBOKZPZSA-N 1 0 310.445 3.293 10 0 DGAERO CC(C)OCCCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000181668238 660014699 /nfs/dbraw/zinc/01/46/99/660014699.db2.gz VQTMMEYGYBXXDH-SFHVURJKSA-N 1 0 319.445 3.399 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)CS(C)(=O)=O ZINC000182610099 660067107 /nfs/dbraw/zinc/06/71/07/660067107.db2.gz VREVEWKYLJXDFH-KGLIPLIRSA-N 1 0 311.491 3.315 10 0 DGAERO COCCC[C@H](C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183167149 660103435 /nfs/dbraw/zinc/10/34/35/660103435.db2.gz BALXULJTMCVWNH-WMZOPIPTSA-N 1 0 319.445 3.257 10 0 DGAERO O=C(CC1CCOCC1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183189541 660103957 /nfs/dbraw/zinc/10/39/57/660103957.db2.gz IPWNQMBITUNHDW-GOSISDBHSA-N 1 0 317.429 3.011 10 0 DGAERO Cc1cccnc1/C=C/C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000183370453 660109272 /nfs/dbraw/zinc/10/92/72/660109272.db2.gz PCOBKNWDDCVNRB-IENJSVCTSA-N 1 0 315.461 3.030 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(F)c(Br)c1 ZINC000071302181 660114295 /nfs/dbraw/zinc/11/42/95/660114295.db2.gz ZUCLXQWQQMMLOS-ISVAXAHUSA-N 1 0 302.187 3.010 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(F)c(Br)c1 ZINC000071302183 660114314 /nfs/dbraw/zinc/11/43/14/660114314.db2.gz ZUCLXQWQQMMLOS-AMIZOPFISA-N 1 0 302.187 3.010 10 0 DGAERO COc1cccc([C@H](C)[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183908065 660146636 /nfs/dbraw/zinc/14/66/36/660146636.db2.gz YTWYJHFGXQUBCU-HOCLYGCPSA-N 1 0 305.418 3.231 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1 ZINC000044364633 661859444 /nfs/dbraw/zinc/85/94/44/661859444.db2.gz HPACDXAFVOPQMF-MRXNPFEDSA-N 1 0 318.367 3.198 10 0 DGAERO COCc1cc([C@H](C)[NH2+]CCN2CCCC[C@@H]2C)ccc1OC ZINC000156631224 661864223 /nfs/dbraw/zinc/86/42/23/661864223.db2.gz VEFLGJUYUXFAAR-HOTGVXAUSA-N 1 0 320.477 3.367 10 0 DGAERO CCOC(C)(C)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000159360856 661886567 /nfs/dbraw/zinc/88/65/67/661886567.db2.gz YDMCZMHBLSYAJN-ZDUSSCGKSA-N 1 0 305.340 3.144 10 0 DGAERO COCc1cc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)ccc1OC ZINC000187845510 661905553 /nfs/dbraw/zinc/90/55/53/661905553.db2.gz SPLGWTYWBWWOTJ-XJKSGUPXSA-N 1 0 307.434 3.450 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(F)nc1 ZINC000189298610 661972991 /nfs/dbraw/zinc/97/29/91/661972991.db2.gz RCXBIFROCIHWML-AWEZNQCLSA-N 1 0 316.376 3.032 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC2CCC3(CC2)OCCO3)cc1F ZINC000190318999 662028085 /nfs/dbraw/zinc/02/80/85/662028085.db2.gz LNHAHFLGILPENF-ZDUSSCGKSA-N 1 0 323.408 3.418 10 0 DGAERO CCC[NH+]1CCC(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000190954985 662050504 /nfs/dbraw/zinc/05/05/04/662050504.db2.gz JACYYCIMXDYBQG-UHFFFAOYSA-N 1 0 314.832 3.396 10 0 DGAERO CSC1(C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000191007332 662051780 /nfs/dbraw/zinc/05/17/80/662051780.db2.gz WVXBKNKEBPWPEY-UHFFFAOYSA-N 1 0 319.470 3.337 10 0 DGAERO Cc1ccc(-c2ccc(C[NH2+]CC3(C)OCCCO3)o2)cc1 ZINC000192249946 662093048 /nfs/dbraw/zinc/09/30/48/662093048.db2.gz ZXIWDLWAGIEKHZ-UHFFFAOYSA-N 1 0 301.386 3.498 10 0 DGAERO C[C@H](C[NH2+]Cc1cccc2cnccc21)NC(=O)OC(C)(C)C ZINC000192687433 662108230 /nfs/dbraw/zinc/10/82/30/662108230.db2.gz RVMOXIVLNWTCEO-CYBMUJFWSA-N 1 0 315.417 3.238 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)o1 ZINC000193849512 662151359 /nfs/dbraw/zinc/15/13/59/662151359.db2.gz CZXUFTYNKRHDOF-CYBMUJFWSA-N 1 0 307.438 3.211 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(SC(F)F)cc2)C1 ZINC000194648413 662170429 /nfs/dbraw/zinc/17/04/29/662170429.db2.gz KFXSJLYNASFGBS-LBPRGKRZSA-N 1 0 314.401 3.215 10 0 DGAERO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717934393 662207183 /nfs/dbraw/zinc/20/71/83/662207183.db2.gz DQCCKZGXAWVVBG-BDAKNGLRSA-N 1 0 308.369 3.331 10 0 DGAERO Cc1coc(C[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000718030205 662214285 /nfs/dbraw/zinc/21/42/85/662214285.db2.gz KJQCJEBBVAMECO-AWEZNQCLSA-N 1 0 308.422 3.325 10 0 DGAERO Cc1coc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1 ZINC000718082814 662221836 /nfs/dbraw/zinc/22/18/36/662221836.db2.gz AIMBQAKXOPQTOR-ZNMIVQPWSA-N 1 0 320.433 3.466 10 0 DGAERO Cc1ccc(-c2noc(CC3CC([NH3+])C3)n2)c(Br)c1 ZINC000718137271 662231618 /nfs/dbraw/zinc/23/16/18/662231618.db2.gz KFUXPHJHYTXDAH-UHFFFAOYSA-N 1 0 322.206 3.087 10 0 DGAERO CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@@](C)(O)c1ccccc1 ZINC000245591288 662236881 /nfs/dbraw/zinc/23/68/81/662236881.db2.gz GIRFPKQEXGBBIB-VQTJNVASSA-N 1 0 313.441 3.258 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(Cc2c(F)cccc2Cl)no1 ZINC000089431260 662243658 /nfs/dbraw/zinc/24/36/58/662243658.db2.gz GYMPXSHSONTSGN-UWVGGRQHSA-N 1 0 309.772 3.295 10 0 DGAERO Cc1cc(C)cc([C@H](O)CN2CCO[C@@H](c3ccco3)C2)c1 ZINC000246319526 662254027 /nfs/dbraw/zinc/25/40/27/662254027.db2.gz CMNKCNVDAUSNDT-SJLPKXTDSA-N 1 0 301.386 3.003 10 0 DGAERO Clc1sccc1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000718412080 662254627 /nfs/dbraw/zinc/25/46/27/662254627.db2.gz PUQYZTDWLUBQQE-NWDGAFQWSA-N 1 0 302.896 3.071 10 0 DGAERO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(Cl)cc1Cl ZINC000718424941 662255153 /nfs/dbraw/zinc/25/51/53/662255153.db2.gz BVJFQWZLDFGQNN-FKTRJACZSA-N 1 0 301.217 3.298 10 0 DGAERO CSCC1CCC([NH2+][C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000718494710 662257054 /nfs/dbraw/zinc/25/70/54/662257054.db2.gz UVZCGOBBZMGONQ-CKUJCDMFSA-N 1 0 314.564 3.078 10 0 DGAERO COCC(C)(C)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000718714049 662260427 /nfs/dbraw/zinc/26/04/27/662260427.db2.gz CBUQOICNXPEUNZ-AWEZNQCLSA-N 1 0 314.470 3.038 10 0 DGAERO CO[C@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000718804237 662261941 /nfs/dbraw/zinc/26/19/41/662261941.db2.gz ZDLREQOJAYGVSD-OALUTQOASA-N 1 0 313.445 3.369 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1cccc(F)c1 ZINC000246574212 662265538 /nfs/dbraw/zinc/26/55/38/662265538.db2.gz HUAGCILSJFKSGW-XYPHTWIQSA-N 1 0 318.436 3.140 10 0 DGAERO CCC(CC)[C@@H](O)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719225687 662271585 /nfs/dbraw/zinc/27/15/85/662271585.db2.gz YAIMRIVVXCUCIE-JTQLQIEISA-N 1 0 321.284 3.101 10 0 DGAERO Cc1nc(C[NH2+]CCCOC(C)C)sc1Br ZINC000719276680 662272549 /nfs/dbraw/zinc/27/25/49/662272549.db2.gz ATFKBMZJGNYYKK-UHFFFAOYSA-N 1 0 307.257 3.119 10 0 DGAERO Cc1nc(C[NH2+]CC[C@@H]2CC2(F)F)sc1Br ZINC000719285731 662272986 /nfs/dbraw/zinc/27/29/86/662272986.db2.gz CELXITZGQGHYCP-SSDOTTSWSA-N 1 0 311.195 3.349 10 0 DGAERO Cc1nc(C[NH2+]CCC[C@@H]2CCOC2)sc1Br ZINC000719311302 662273162 /nfs/dbraw/zinc/27/31/62/662273162.db2.gz IPHVQYVVAXTLRQ-SNVBAGLBSA-N 1 0 319.268 3.120 10 0 DGAERO CC[C@H](C)[C@H](C[NH2+]Cc1nc(C)c(Br)s1)OC ZINC000719288916 662273254 /nfs/dbraw/zinc/27/32/54/662273254.db2.gz QZMHSHICMPRGPS-WPRPVWTQSA-N 1 0 321.284 3.365 10 0 DGAERO Cc1nc(C[NH2+]CC2(C3CC3)CC2)sc1Br ZINC000719292292 662273296 /nfs/dbraw/zinc/27/32/96/662273296.db2.gz JSLWKWGGSQWZPI-UHFFFAOYSA-N 1 0 301.253 3.494 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2cnc(C(C)(C)C)s2)CCSC1 ZINC000719300172 662273604 /nfs/dbraw/zinc/27/36/04/662273604.db2.gz DMCQOIOVVBBXKP-CQSZACIVSA-N 1 0 300.493 3.052 10 0 DGAERO CO[C@]1(C[NH2+]Cc2ccccc2C(F)(F)F)CCSC1 ZINC000719326650 662274144 /nfs/dbraw/zinc/27/41/44/662274144.db2.gz SJGCXCTUEGBPHO-ZDUSSCGKSA-N 1 0 305.365 3.317 10 0 DGAERO Cc1ccc(C[NH2+]CCC[C@@H](C)O)c(C)c1Br ZINC000719535399 662291666 /nfs/dbraw/zinc/29/16/66/662291666.db2.gz LNALQNMHLGHXPV-LLVKDONJSA-N 1 0 300.240 3.317 10 0 DGAERO Cc1ccc(C[NH2+]CCn2ccnc2)c(C)c1Br ZINC000719558228 662292046 /nfs/dbraw/zinc/29/20/46/662292046.db2.gz VTQTZQWXAZJMHH-UHFFFAOYSA-N 1 0 308.223 3.052 10 0 DGAERO Cc1csc([C@@H]2CCCN(CN3C[C@@H](C(C)C)CC3=O)C2)n1 ZINC000247005370 662296593 /nfs/dbraw/zinc/29/65/93/662296593.db2.gz FRCUFRDZFNMWFL-CABCVRRESA-N 1 0 321.490 3.093 10 0 DGAERO CCCNC(=S)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719858792 662297566 /nfs/dbraw/zinc/29/75/66/662297566.db2.gz FSTVDOICYCWHMT-KRWDZBQOSA-N 1 0 319.518 3.257 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cn1ccc(-c3ccccc3)n1)CC2 ZINC000247205025 662302817 /nfs/dbraw/zinc/30/28/17/662302817.db2.gz WOKLHAXMWWOIQI-PKOBYXMFSA-N 1 0 311.429 3.135 10 0 DGAERO O[C@H](C[N@H+](C[C@H]1CCCO1)C1CCCC1)c1ccc(F)cc1 ZINC000247263456 662305559 /nfs/dbraw/zinc/30/55/59/662305559.db2.gz FKNONQGWBJTJRV-QZTJIDSGSA-N 1 0 307.409 3.283 10 0 DGAERO O=C(OCCC[C@H]1CCCO1)[C@H]1CCCN1Cc1ccccc1 ZINC000248526558 662351597 /nfs/dbraw/zinc/35/15/97/662351597.db2.gz UZOYZBGDRRYTQO-QZTJIDSGSA-N 1 0 317.429 3.153 10 0 DGAERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000093918522 662361434 /nfs/dbraw/zinc/36/14/34/662361434.db2.gz OMLFAVWBXAYQES-LSDHHAIUSA-N 1 0 324.399 3.281 10 0 DGAERO C[C@H]1c2sccc2CC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000712313148 685275360 /nfs/dbraw/zinc/27/53/60/685275360.db2.gz HBHFUXZPZIPMFI-WMLDXEAASA-N 1 0 317.454 3.245 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)Nc1ccc(Cl)nc1)c1ccccc1 ZINC000145647122 685087293 /nfs/dbraw/zinc/08/72/93/685087293.db2.gz FCVJQLQZHWDEKA-AWEZNQCLSA-N 1 0 318.808 3.159 10 0 DGAERO COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000379476727 685148165 /nfs/dbraw/zinc/14/81/65/685148165.db2.gz VSVLVANRUZBXQK-ZDUSSCGKSA-N 1 0 308.422 3.040 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CCO1 ZINC000379627906 685148988 /nfs/dbraw/zinc/14/89/88/685148988.db2.gz NBOJPAKEADLIFO-BHIYHBOVSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H](CCc1ccco1)[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381885136 685160937 /nfs/dbraw/zinc/16/09/37/685160937.db2.gz PXEJWMZTGFULBF-GEXIGZQTSA-N 1 0 308.422 3.271 10 0 DGAERO CC(C)(C)OC(=O)NCC(F)(F)C[NH2+][C@H]1CC2CCC1CC2 ZINC000382049929 685161299 /nfs/dbraw/zinc/16/12/99/685161299.db2.gz WDKUBUNXUNKCJI-BPCQOVAHSA-N 1 0 318.408 3.315 10 0 DGAERO CSCC1CCC([NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000385180702 685173554 /nfs/dbraw/zinc/17/35/54/685173554.db2.gz BHJZUPLNJGRZRJ-UHFFFAOYSA-N 1 0 318.284 3.184 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000389854167 685197640 /nfs/dbraw/zinc/19/76/40/685197640.db2.gz YMXQHUKJFFGLJZ-RDBSUJKOSA-N 1 0 314.470 3.035 10 0 DGAERO O[C@@H](C[NH2+]CCCCOCc1ccccc1)c1ccccc1F ZINC000390584933 685203374 /nfs/dbraw/zinc/20/33/74/685203374.db2.gz LQORLKZBNUGLJS-IBGZPJMESA-N 1 0 317.404 3.446 10 0 DGAERO CCCOC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390556147 685203537 /nfs/dbraw/zinc/20/35/37/685203537.db2.gz RIZSEPODWHNXFL-ALOPSCKCSA-N 1 0 302.418 3.318 10 0 DGAERO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)n1 ZINC000396615250 685227939 /nfs/dbraw/zinc/22/79/39/685227939.db2.gz GWXQOZVUOKOXFR-GOEBONIOSA-N 1 0 319.449 3.268 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397760563 685231702 /nfs/dbraw/zinc/23/17/02/685231702.db2.gz KFMNKSLWVXRDBK-QMHWVQJVSA-N 1 0 308.466 3.458 10 0 DGAERO CCOc1cccc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000397893947 685233352 /nfs/dbraw/zinc/23/33/52/685233352.db2.gz UHNBMJQNFUNMIR-UHFFFAOYSA-N 1 0 320.433 3.042 10 0 DGAERO CCOc1ccccc1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000397885288 685233363 /nfs/dbraw/zinc/23/33/63/685233363.db2.gz PPHNFTZKLAUHRX-UHFFFAOYSA-N 1 0 320.433 3.042 10 0 DGAERO C[C@@H]([NH2+]CCOC(F)F)c1ccc(Br)cc1F ZINC000398147372 685235467 /nfs/dbraw/zinc/23/54/67/685235467.db2.gz YUUGUHMJNIOGLB-SSDOTTSWSA-N 1 0 312.129 3.478 10 0 DGAERO c1ccc(-c2cccc(C[NH2+]CCCO[C@H]3CCOC3)c2)nc1 ZINC000128799067 1176076410 /nfs/dbraw/zinc/07/64/10/1176076410.db2.gz RSCFRMVSXBFCQW-SFHVURJKSA-N 1 0 312.413 3.034 10 0 DGAERO CCCN(CC[NH2+]Cc1ccnn1CCC)C(=O)OC(C)(C)C ZINC000227659951 1176499154 /nfs/dbraw/zinc/49/91/54/1176499154.db2.gz ODUSDSUGDHKSRL-UHFFFAOYSA-N 1 0 324.469 3.030 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2nn(C)cc2Br)CC1 ZINC000393319579 1176599617 /nfs/dbraw/zinc/59/96/17/1176599617.db2.gz DQOVXIUCIOSVSG-GHMZBOCLSA-N 1 0 300.244 3.241 10 0 DGAERO c1ccc2c(c1)OC[C@@H](C[NH2+]Cc1ccc3ncccc3c1)O2 ZINC000378892982 1176748960 /nfs/dbraw/zinc/74/89/60/1176748960.db2.gz MGDSYQWVYAONSE-MRXNPFEDSA-N 1 0 306.365 3.164 10 0 DGAERO CCc1cnc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)s1 ZINC000394925845 1176772954 /nfs/dbraw/zinc/77/29/54/1176772954.db2.gz ATOBBOYWCJNDCB-UHFFFAOYSA-N 1 0 313.467 3.052 10 0 DGAERO COc1ccc(C)cc1C[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397882651 1176780835 /nfs/dbraw/zinc/78/08/35/1176780835.db2.gz ZQBADEDIRNDNRE-UHFFFAOYSA-N 1 0 322.449 3.398 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000398478258 1177019960 /nfs/dbraw/zinc/01/99/60/1177019960.db2.gz UUTSCBRTIXMBFT-LLVKDONJSA-N 1 0 304.203 3.229 10 0 DGAERO C[C@H]1CC[C@H]1[NH2+]Cc1ccccc1I ZINC000307579421 1177023581 /nfs/dbraw/zinc/02/35/81/1177023581.db2.gz PQPMGOAPELSPSN-JOYOIKCWSA-N 1 0 301.171 3.179 10 0 DGAERO CC(C)C[C@@H](C)[NH2+]C[C@@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398671363 1177027595 /nfs/dbraw/zinc/02/75/95/1177027595.db2.gz FBYMWQZQNNRPPC-ZIAGYGMSSA-N 1 0 302.459 3.492 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1C(F)(F)F ZINC000085373079 1177713701 /nfs/dbraw/zinc/71/37/01/1177713701.db2.gz STZYPLHEZHMELN-AAEUAGOBSA-N 1 0 300.324 3.470 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1C(F)(F)F ZINC000085373077 1177714318 /nfs/dbraw/zinc/71/43/18/1177714318.db2.gz STZYPLHEZHMELN-YPMHNXCESA-N 1 0 300.324 3.470 10 0 DGAERO c1cn(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)cn1 ZINC000060831216 1195158623 /nfs/dbraw/zinc/15/86/23/1195158623.db2.gz CJSWCFHDQYOWMA-UHFFFAOYSA-N 1 0 307.397 3.252 10 0 DGAERO c1ccc(OCC2CC2)c(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000063507249 1195296335 /nfs/dbraw/zinc/29/63/35/1195296335.db2.gz YCVORASOHOWUNN-UHFFFAOYSA-N 1 0 311.381 3.494 10 0 DGAERO O=C1OCCN1c1cccc(C[NH2+]C/C=C/c2ccccc2)c1 ZINC000066973988 1195580423 /nfs/dbraw/zinc/58/04/23/1195580423.db2.gz KEZYZHUYITZNEN-WEVVVXLNSA-N 1 0 308.381 3.446 10 0 DGAERO c1ccc(OC2CCCC2)c(C[NH2+]CCOC[C@@H]2CCOC2)c1 ZINC000068994124 1195764418 /nfs/dbraw/zinc/76/44/18/1195764418.db2.gz OKAJOVONGDTFPM-MRXNPFEDSA-N 1 0 319.445 3.151 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]CCCOc1ccccc1 ZINC000072953433 1196123340 /nfs/dbraw/zinc/12/33/40/1196123340.db2.gz XFXWRGUTTZXFLT-UHFFFAOYSA-N 1 0 321.424 3.490 10 0 DGAERO C(=C/c1ccccc1)\C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000075115256 1196350836 /nfs/dbraw/zinc/35/08/36/1196350836.db2.gz AFQINVGDGFXYFK-TYOLEZHBSA-N 1 0 322.452 3.363 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]CCCCNc3ccccn3)cc2)c1 ZINC000078847165 1196802633 /nfs/dbraw/zinc/80/26/33/1196802633.db2.gz KREXTOOKEIKABJ-UHFFFAOYSA-N 1 0 321.428 3.249 10 0 DGAERO COC(=O)c1oc(C[N@H+](C)[C@H](C)Cc2ccsc2)cc1C ZINC000081599253 1197237731 /nfs/dbraw/zinc/23/77/31/1197237731.db2.gz SWZGCYJFJPDKMN-GFCCVEGCSA-N 1 0 307.415 3.499 10 0 DGAERO Cc1cccc(CNC(=O)C[N@@H+](C)[C@H](C)Cc2ccsc2)c1 ZINC000081598133 1197237830 /nfs/dbraw/zinc/23/78/30/1197237830.db2.gz BGFQXBRDFMXHPF-OAHLLOKOSA-N 1 0 316.470 3.236 10 0 DGAERO CC(C)C[NH2+]CCc1ccc(I)cc1 ZINC000083850853 1197445107 /nfs/dbraw/zinc/44/51/07/1197445107.db2.gz HQBRIPKNBMEUOP-UHFFFAOYSA-N 1 0 303.187 3.079 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)CCO1 ZINC000388686611 1197698491 /nfs/dbraw/zinc/69/84/91/1197698491.db2.gz JCXOINQTFIYXPE-PWSUYJOCSA-N 1 0 316.214 3.493 10 0 DGAERO C[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1I ZINC000379641278 1197703279 /nfs/dbraw/zinc/70/32/79/1197703279.db2.gz VFBRDMODYVJJPR-GXSJLCMTSA-N 1 0 301.171 3.037 10 0 DGAERO Brc1ccccc1C1CC([NH2+]CCc2cn[nH]c2)C1 ZINC000379573101 1197703661 /nfs/dbraw/zinc/70/36/61/1197703661.db2.gz UKNRYFMKUUIWTL-UHFFFAOYSA-N 1 0 320.234 3.251 10 0 DGAERO CCC1([NH2+]Cc2cccc(I)c2)CC1 ZINC000379721177 1197703992 /nfs/dbraw/zinc/70/39/92/1197703992.db2.gz DQQHUKKUQFSBDY-UHFFFAOYSA-N 1 0 301.171 3.323 10 0 DGAERO CC[N@H+](CCNCc1sccc1Br)C(C)C ZINC000381768580 1197704891 /nfs/dbraw/zinc/70/48/91/1197704891.db2.gz VSRUFQLDMMBXNQ-UHFFFAOYSA-N 1 0 305.285 3.331 10 0 DGAERO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000381148173 1197705301 /nfs/dbraw/zinc/70/53/01/1197705301.db2.gz YBQVSQMXTRQIDG-BZPMIXESSA-N 1 0 314.271 3.450 10 0 DGAERO CCCn1cncc1C[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000390603838 1197713585 /nfs/dbraw/zinc/71/35/85/1197713585.db2.gz ZLPYWTDXWVFKFF-SFHVURJKSA-N 1 0 312.461 3.047 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNCc1cccc(Br)c1F ZINC000395032783 1197721626 /nfs/dbraw/zinc/72/16/26/1197721626.db2.gz YFCQZHFISTYWPP-LLVKDONJSA-N 1 0 317.246 3.408 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2F)[C@@H](C)O1 ZINC000395002345 1197721885 /nfs/dbraw/zinc/72/18/85/1197721885.db2.gz FIGVIFJDWGWBHI-KBVBSXBZSA-N 1 0 302.187 3.244 10 0 DGAERO C[C@@H]1CC[C@@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)O1 ZINC000398089484 1197723055 /nfs/dbraw/zinc/72/30/55/1197723055.db2.gz OYDFBUPEOGZOME-KGLIPLIRSA-N 1 0 314.470 3.179 10 0 DGAERO c1csc(SCCC[NH2+]Cc2nc3c(s2)CCC3)n1 ZINC000093075889 1198649529 /nfs/dbraw/zinc/64/95/29/1198649529.db2.gz AKDPYKGKWRUXEO-UHFFFAOYSA-N 1 0 311.501 3.360 10 0 DGAERO CN1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093982131 1198744303 /nfs/dbraw/zinc/74/43/03/1198744303.db2.gz UCDVQLGSXTYXEK-AWEZNQCLSA-N 1 0 315.230 3.162 10 0 DGAERO CCSCCC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401754869 1199418065 /nfs/dbraw/zinc/41/80/65/1199418065.db2.gz ZYXKKBWFHLBXLQ-UONOGXRCSA-N 1 0 316.511 3.365 10 0 DGAERO CCSCCC[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401814069 1199419628 /nfs/dbraw/zinc/41/96/28/1199419628.db2.gz HHHSMQZKMDXOLT-MRXNPFEDSA-N 1 0 322.474 3.130 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)sn1 ZINC000404466148 1199562656 /nfs/dbraw/zinc/56/26/56/1199562656.db2.gz VYBAAPCBSXLWIT-MRXNPFEDSA-N 1 0 301.459 3.287 10 0 DGAERO CCCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404493611 1199563802 /nfs/dbraw/zinc/56/38/02/1199563802.db2.gz DBTJFURFJKWDMY-BBWFWOEESA-N 1 0 317.477 3.479 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CSC2(C)C)C1(C)C ZINC000404827164 1199587255 /nfs/dbraw/zinc/58/72/55/1199587255.db2.gz VUUYZJIZXWRHOV-QJPTWQEYSA-N 1 0 314.495 3.162 10 0 DGAERO CC1([NH2+]Cc2ccccc2I)CCC1 ZINC000306427254 1199695993 /nfs/dbraw/zinc/69/59/93/1199695993.db2.gz KWZABXKXKWMDOQ-UHFFFAOYSA-N 1 0 301.171 3.323 10 0 DGAERO Cc1noc(C)c1C[NH2+]CCc1ccc(Br)cc1 ZINC000310865253 1199731374 /nfs/dbraw/zinc/73/13/74/1199731374.db2.gz OSVMZKQDQFRAKL-UHFFFAOYSA-N 1 0 309.207 3.386 10 0 DGAERO C=CC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000119562754 1200087686 /nfs/dbraw/zinc/08/76/86/1200087686.db2.gz PJLOAIHRHLBWNC-UHFFFAOYSA-N 1 0 306.207 3.219 10 0 DGAERO COC(=O)c1coc(C[NH2+][C@H](C)Cc2ccccc2Cl)c1 ZINC000130734280 1201056742 /nfs/dbraw/zinc/05/67/42/1201056742.db2.gz WETZVRGZNKVOHQ-LLVKDONJSA-N 1 0 307.777 3.440 10 0 DGAERO CCc1ccc(C[NH2+]CCNc2ncccc2C(F)(F)F)o1 ZINC000151132646 1201064459 /nfs/dbraw/zinc/06/44/59/1201064459.db2.gz QAODUPJDNWZFKW-UHFFFAOYSA-N 1 0 313.323 3.458 10 0 DGAERO Cc1c2ccccc2sc1[C@@H](C)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000133951113 1201197224 /nfs/dbraw/zinc/19/72/24/1201197224.db2.gz JZVDJKCDFGFJDL-OLZOCXBDSA-N 1 0 323.483 3.438 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)CC)C2)cc1Cl ZINC000134532798 1201203329 /nfs/dbraw/zinc/20/33/29/1201203329.db2.gz OQRWUUFURAQSGC-AWEZNQCLSA-N 1 0 322.836 3.005 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000135965802 1201207585 /nfs/dbraw/zinc/20/75/85/1201207585.db2.gz ZVJVGTCYYRHUEM-IYBDPMFKSA-N 1 0 324.509 3.256 10 0 DGAERO CCOc1cccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000222028551 1202568018 /nfs/dbraw/zinc/56/80/18/1202568018.db2.gz YMIRXCGTRAPFHS-UHFFFAOYSA-N 1 0 322.449 3.432 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(Cl)c1N ZINC000155863754 1202599415 /nfs/dbraw/zinc/59/94/15/1202599415.db2.gz MSQBLSNFFGXSRI-GFCCVEGCSA-N 1 0 311.857 3.163 10 0 DGAERO c1cc(C[NH2+]CCOC2CCCCCC2)c2c(c1)OCCO2 ZINC000236584872 1202613493 /nfs/dbraw/zinc/61/34/93/1202613493.db2.gz YATPOOHHFMIYDZ-UHFFFAOYSA-N 1 0 305.418 3.287 10 0 DGAERO c1cnn(CC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000236758742 1202623293 /nfs/dbraw/zinc/62/32/93/1202623293.db2.gz ITLUBLLQRNDFDQ-UHFFFAOYSA-N 1 0 317.396 3.012 10 0 DGAERO c1nn(-c2ccccc2)cc1CC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000236754058 1202623338 /nfs/dbraw/zinc/62/33/38/1202623338.db2.gz POROHJLYLXJYCW-UHFFFAOYSA-N 1 0 317.396 3.081 10 0 DGAERO Cc1cc(C)c2c(c1)CC[N@@H+](Cc1ccc(-n3ccnc3)nc1)C2 ZINC000186456525 1202923085 /nfs/dbraw/zinc/92/30/85/1202923085.db2.gz UXSLLKVAFKMOPK-UHFFFAOYSA-N 1 0 318.424 3.442 10 0 DGAERO Cc1ccc(Cl)cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000190419650 1203278633 /nfs/dbraw/zinc/27/86/33/1203278633.db2.gz MTYFGDHILNUDEL-CZUORRHYSA-N 1 0 323.868 3.273 10 0 DGAERO COc1ccnc(CN2CCc3cc(C)cc(C)c3C2)c1OC ZINC000191284369 1203283773 /nfs/dbraw/zinc/28/37/73/1203283773.db2.gz TYSUDRXAQBJMDL-UHFFFAOYSA-N 1 0 312.413 3.274 10 0 DGAERO Fc1cc(OCC[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1Cl ZINC000248829621 1203810297 /nfs/dbraw/zinc/81/02/97/1203810297.db2.gz HUFBWWGPXUOWQG-LRDDRELGSA-N 1 0 313.800 3.359 10 0 DGAERO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000166965400 1203810432 /nfs/dbraw/zinc/81/04/32/1203810432.db2.gz JWDKPVSXPXYOCT-KOLCDFICSA-N 1 0 301.171 3.037 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C(/C)c2ccc(OC)cc2)C1 ZINC000255865053 1203854821 /nfs/dbraw/zinc/85/48/21/1203854821.db2.gz LJTFKOFRSDWJQB-REZBVGGZSA-N 1 0 316.445 3.041 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000176477801 1203931840 /nfs/dbraw/zinc/93/18/40/1203931840.db2.gz CQTNTLHWQZTTRK-VOGRQWBCSA-N 1 0 316.445 3.041 10 0 DGAERO C[NH2+][C@H](C)Cc1noc(-c2cnc(-c3ccsc3)s2)n1 ZINC000261724862 1204212614 /nfs/dbraw/zinc/21/26/14/1204212614.db2.gz JTRIGLHBIGXMEA-MRVPVSSYSA-N 1 0 306.416 3.072 10 0 DGAERO CCN(CC)C(=O)c1cccc(N[C@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000262304059 1204314556 /nfs/dbraw/zinc/31/45/56/1204314556.db2.gz OXZBNSSOVYPJKD-ZBFHGGJFSA-N 1 0 303.450 3.111 10 0 DGAERO COc1cccc(CCC[NH2+][C@@H](c2nc(C)no2)C(C)C)c1 ZINC000179894132 1204324302 /nfs/dbraw/zinc/32/43/02/1204324302.db2.gz ITQIAHHSJRHOOS-MRXNPFEDSA-N 1 0 303.406 3.306 10 0 DGAERO Cc1cnn(CCCCC[NH2+][C@H](c2nc(C)no2)C(C)C)c1 ZINC000179883370 1204324486 /nfs/dbraw/zinc/32/44/86/1204324486.db2.gz MMLJNHHLHQQZCB-HNNXBMFYSA-N 1 0 305.426 3.040 10 0 DGAERO CCC[C@H]([NH2+]Cc1nn(C)cc1Br)[C@@H]1CC1(C)C ZINC000397655777 1081963138 /nfs/dbraw/zinc/96/31/38/1081963138.db2.gz BRPGLXGLCHBFMN-JQWIXIFHSA-N 1 0 314.271 3.487 10 0 DGAERO CCc1cnc(C[NH2+]CCCCNC(=O)OC(C)(C)C)s1 ZINC000397816951 1082002986 /nfs/dbraw/zinc/00/29/86/1082002986.db2.gz IOAIEUJQVGGGMR-UHFFFAOYSA-N 1 0 313.467 3.100 10 0 DGAERO CCC(CC)C[NH2+]C[C@@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398687300 1082198502 /nfs/dbraw/zinc/19/85/02/1082198502.db2.gz MOHPDWJRZLPRJR-CQSZACIVSA-N 1 0 302.459 3.493 10 0 DGAERO Cc1cccnc1/C=C\C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000588454790 1082331012 /nfs/dbraw/zinc/33/10/12/1082331012.db2.gz PCOBKNWDDCVNRB-JYBLJSLWSA-N 1 0 315.461 3.030 10 0 DGAERO CC[NH+]1CCN(c2cccc(NC(=O)/C=C\C(C)(C)C)c2)CC1 ZINC000588491168 1082463834 /nfs/dbraw/zinc/46/38/34/1082463834.db2.gz ZVCFEBKOBBRWQQ-KTKRTIGZSA-N 1 0 315.461 3.369 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000588562103 1082637782 /nfs/dbraw/zinc/63/77/82/1082637782.db2.gz CBTXHBFZMVZGES-SEYXRHQNSA-N 1 0 304.821 3.050 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2C[C@@H]3CCCC[C@@H]32)C1 ZINC000712440116 1085719892 /nfs/dbraw/zinc/71/98/92/1085719892.db2.gz UHILAWDVDFTGLT-QXKUPLGCSA-N 1 0 308.466 3.458 10 0 DGAERO Cn1cc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)c(Br)n1 ZINC000713828772 1086607303 /nfs/dbraw/zinc/60/73/03/1086607303.db2.gz YCXQVPPZQRVRAY-NSHDSACASA-N 1 0 314.271 3.441 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085368747 1091353431 /nfs/dbraw/zinc/35/34/31/1091353431.db2.gz ZQERDBVSCMIODB-KBPBESRZSA-N 1 0 315.244 3.469 10 0 DGAERO Brc1cccc(CC[NH2+][C@H]2CCCc3n[nH]cc32)c1 ZINC000401685051 1093965073 /nfs/dbraw/zinc/96/50/73/1093965073.db2.gz MYDBDQQDTRDTBC-AWEZNQCLSA-N 1 0 320.234 3.382 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CCc2ccco2)CN(C(=O)OC(C)(C)C)C1 ZINC000401727758 1093968416 /nfs/dbraw/zinc/96/84/16/1093968416.db2.gz MTHHKFHJIBZMBW-UONOGXRCSA-N 1 0 308.422 3.057 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401788985 1093972623 /nfs/dbraw/zinc/97/26/23/1093972623.db2.gz VJNBGDNCUQPSDP-UPJWGTAASA-N 1 0 318.408 3.409 10 0 DGAERO CCOC(C)(C)C[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401832086 1093973983 /nfs/dbraw/zinc/97/39/83/1093973983.db2.gz JYIQQVGYHONAMM-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO COc1ccccc1CCC[NH2+][C@@H](c1nc(C)no1)C(C)C ZINC000182827733 1093979926 /nfs/dbraw/zinc/97/99/26/1093979926.db2.gz CDDJTOVLASSYOD-MRXNPFEDSA-N 1 0 303.406 3.306 10 0 DGAERO CC1(C)CC([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401949746 1093981654 /nfs/dbraw/zinc/98/16/54/1093981654.db2.gz UAPLWGUKCKCQAR-OAHLLOKOSA-N 1 0 302.418 3.176 10 0 DGAERO C1C[C@H]2CC([NH2+][C@@H]3CCOC4(CCSCC4)C3)C[C@@H]1S2 ZINC000403495776 1094131783 /nfs/dbraw/zinc/13/17/83/1094131783.db2.gz DGCSHPOFYYQXFQ-FFHGMXDLSA-N 1 0 313.532 3.447 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403560619 1094142810 /nfs/dbraw/zinc/14/28/10/1094142810.db2.gz KYPHVSZMJIGAIF-DUJLVANISA-N 1 0 314.495 3.304 10 0 DGAERO c1nc2ccccc2n1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403578227 1094143496 /nfs/dbraw/zinc/14/34/96/1094143496.db2.gz JKMBUDTVSCSTQN-GOOCMWNKSA-N 1 0 301.459 3.443 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403588164 1094147948 /nfs/dbraw/zinc/14/79/48/1094147948.db2.gz YMYROGUQWGTMDI-AYHJJNSGSA-N 1 0 313.470 3.448 10 0 DGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccns1 ZINC000404434013 1094257337 /nfs/dbraw/zinc/25/73/37/1094257337.db2.gz PSXPEYABUUMVQU-GFCCVEGCSA-N 1 0 311.451 3.022 10 0 DGAERO C[C@]1(CNCc2ccns2)CC[N@H+](Cc2ccccc2)C1 ZINC000404428187 1094257606 /nfs/dbraw/zinc/25/76/06/1094257606.db2.gz JYEOTSSSMJDSGU-QGZVFWFLSA-N 1 0 301.459 3.145 10 0 DGAERO CCC(CC)(C[NH2+]Cc1ccns1)NC(=O)OC(C)(C)C ZINC000404466631 1094258441 /nfs/dbraw/zinc/25/84/41/1094258441.db2.gz XXUJROVGDOAEPS-UHFFFAOYSA-N 1 0 313.467 3.316 10 0 DGAERO C[C@@H]([NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)c1cccnc1 ZINC000404771543 1094268481 /nfs/dbraw/zinc/26/84/81/1094268481.db2.gz XAZYOCANLCHHQP-CQSZACIVSA-N 1 0 319.449 3.427 10 0 DGAERO CC(C)CN(C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21)C1CC1 ZINC000192350840 1096491463 /nfs/dbraw/zinc/49/14/63/1096491463.db2.gz JEDGQTQISUMFSI-QGZVFWFLSA-N 1 0 316.445 3.006 10 0 DGAERO CCC[C@H](C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)OC ZINC000721846327 1098064389 /nfs/dbraw/zinc/06/43/89/1098064389.db2.gz INCFFABLNCHMKR-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO O=C(/C=C/c1cccs1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290046 1101659523 /nfs/dbraw/zinc/65/95/23/1101659523.db2.gz APYZUTGHGHQGEL-KIUWMYQTSA-N 1 0 304.459 3.142 10 0 DGAERO CC1CC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)C1 ZINC000717149720 1104158159 /nfs/dbraw/zinc/15/81/59/1104158159.db2.gz CEXFXHOFWCGBCY-CPCZMJQVSA-N 1 0 318.408 3.267 10 0 DGAERO CC(C)(C)[C@H]1CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724109419 1106627625 /nfs/dbraw/zinc/62/76/25/1106627625.db2.gz LXZVAULNFHXGCW-GXSJLCMTSA-N 1 0 303.315 3.303 10 0 DGAERO CCCCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724106993 1106627661 /nfs/dbraw/zinc/62/76/61/1106627661.db2.gz SUXARFMXFWDTRG-LSDHHAIUSA-N 1 0 314.470 3.086 10 0 DGAERO CCCn1cncc1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000381056311 1108090441 /nfs/dbraw/zinc/09/04/41/1108090441.db2.gz IROUAHUNCMVBEY-APWZRJJASA-N 1 0 312.461 3.046 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000392863225 1108934303 /nfs/dbraw/zinc/93/43/03/1108934303.db2.gz QNNAAUCVUVQXGL-GJZGRUSLSA-N 1 0 324.262 3.464 10 0 DGAERO Cc1ccc(CN(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000076554391 185022740 /nfs/dbraw/zinc/02/27/40/185022740.db2.gz QPRKMPIDISORSX-AWEZNQCLSA-N 1 0 311.495 3.174 10 0 DGAERO CC(C)(C[NH2+]C1CSC1)c1cccc(Br)c1 ZINC000309375743 546449735 /nfs/dbraw/zinc/44/97/35/546449735.db2.gz RFOZLLIWTJTUCM-UHFFFAOYSA-N 1 0 300.265 3.432 10 0 DGAERO CC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000181261183 199273371 /nfs/dbraw/zinc/27/33/71/199273371.db2.gz VJCITLKGVKYFEX-WBAXXEDZSA-N 1 0 318.461 3.034 10 0 DGAERO COc1ccccc1[C@H](C)CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000103070005 432002927 /nfs/dbraw/zinc/00/29/27/432002927.db2.gz BPYCXBQWXONRTQ-CVEARBPZSA-N 1 0 318.461 3.179 10 0 DGAERO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC1CCCCC1 ZINC000062465087 432004070 /nfs/dbraw/zinc/00/40/70/432004070.db2.gz JNBAZVMTPNPOCT-UHFFFAOYSA-N 1 0 321.440 3.232 10 0 DGAERO Cc1cc(C)c([C@@H](O)C2CC[NH2+]CC2)c(C)c1Br ZINC000083161604 185215092 /nfs/dbraw/zinc/21/50/92/185215092.db2.gz NGCNXOLBPCDSMU-HNNXBMFYSA-N 1 0 312.251 3.407 10 0 DGAERO COCCOCC[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181303592 199279180 /nfs/dbraw/zinc/27/91/80/199279180.db2.gz YYNRUADXMRWCPL-OAHLLOKOSA-N 1 0 300.402 3.062 10 0 DGAERO CCc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(CC)c2)o1 ZINC000328635290 529657976 /nfs/dbraw/zinc/65/79/76/529657976.db2.gz NGFNNCNUANKXNZ-DLBZAZTESA-N 1 0 303.406 3.068 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CC2(SC)CCOCC2)ccc1F ZINC000090112525 185282833 /nfs/dbraw/zinc/28/28/33/185282833.db2.gz XBVHOQCEBRJOBM-GFCCVEGCSA-N 1 0 313.438 3.397 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181315483 199280435 /nfs/dbraw/zinc/28/04/35/199280435.db2.gz KQHRWMFUKWDGCV-OAHLLOKOSA-N 1 0 311.429 3.314 10 0 DGAERO CCC(CC)[C@@H](CC[NH2+][C@@H](C)C1(OC)CCOCC1)OC ZINC000453184054 282235025 /nfs/dbraw/zinc/23/50/25/282235025.db2.gz ZHPRXFRRLRWOOS-GOEBONIOSA-N 1 0 301.471 3.001 10 0 DGAERO CC(C)COc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000092647797 185331472 /nfs/dbraw/zinc/33/14/72/185331472.db2.gz JERQUKUQFMOZAB-UHFFFAOYSA-N 1 0 314.433 3.150 10 0 DGAERO CSCc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000092603295 185328759 /nfs/dbraw/zinc/32/87/59/185328759.db2.gz YKGUTGKULURLSV-XJKSGUPXSA-N 1 0 319.474 3.250 10 0 DGAERO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000092788669 185341378 /nfs/dbraw/zinc/34/13/78/185341378.db2.gz OEJMQSAAFJEVDN-OAHLLOKOSA-N 1 0 315.442 3.481 10 0 DGAERO CCc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)o1 ZINC000092754802 185338388 /nfs/dbraw/zinc/33/83/88/185338388.db2.gz WNEDMCLGQIYLFV-CQSZACIVSA-N 1 0 306.450 3.215 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)C1 ZINC000170831778 282261477 /nfs/dbraw/zinc/26/14/77/282261477.db2.gz CZGKHFGGUNZSMV-HOTGVXAUSA-N 1 0 321.440 3.258 10 0 DGAERO CN1C(=O)C[C@@H]([NH2+]Cc2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000092849911 185346747 /nfs/dbraw/zinc/34/67/47/185346747.db2.gz FTKNHNYNSFGTMK-GDBMZVCRSA-N 1 0 320.845 3.463 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3cc[nH]n3)CC2)o1 ZINC000092810709 185343066 /nfs/dbraw/zinc/34/30/66/185343066.db2.gz WLWLIOPYUUTBIL-UHFFFAOYSA-N 1 0 311.389 3.081 10 0 DGAERO c1ccc(NC[C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)nc1 ZINC000092812684 185343108 /nfs/dbraw/zinc/34/31/08/185343108.db2.gz VWZKDRSMAAFRDS-MRXNPFEDSA-N 1 0 321.424 3.291 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]CC[C@H]2CCOC2=O)cc1 ZINC000181406544 199291561 /nfs/dbraw/zinc/29/15/61/199291561.db2.gz AFCNTZOGMWURCJ-HOCLYGCPSA-N 1 0 305.418 3.325 10 0 DGAERO CCC(CC)[C@H](CC[NH2+][C@@H](C)C1(OC)CCOCC1)OC ZINC000453184056 282273005 /nfs/dbraw/zinc/27/30/05/282273005.db2.gz ZHPRXFRRLRWOOS-HOCLYGCPSA-N 1 0 301.471 3.001 10 0 DGAERO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccnc1 ZINC000181394337 199289944 /nfs/dbraw/zinc/28/99/44/199289944.db2.gz YOUHYCJZJRMWCM-XHDPSFHLSA-N 1 0 321.218 3.228 10 0 DGAERO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccncc1 ZINC000181394228 199290407 /nfs/dbraw/zinc/29/04/07/199290407.db2.gz LMTJBIXRRGJTGW-ABAIWWIYSA-N 1 0 321.218 3.228 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2ccccc2)cc1 ZINC000181426789 199294503 /nfs/dbraw/zinc/29/45/03/199294503.db2.gz PPTTZLLJKSDDPY-UZLBHIALSA-N 1 0 321.424 3.262 10 0 DGAERO CCC(CC)[C@H](CC[NH2+][C@H](C)C1(OC)CCOCC1)OC ZINC000453184057 282273553 /nfs/dbraw/zinc/27/35/53/282273553.db2.gz ZHPRXFRRLRWOOS-ZBFHGGJFSA-N 1 0 301.471 3.001 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1ccccc1Br ZINC000181573082 199320111 /nfs/dbraw/zinc/32/01/11/199320111.db2.gz ONAFDBGAMCWPMJ-MNOVXSKESA-N 1 0 312.207 3.053 10 0 DGAERO C[N@@H+]1CCN(Cc2ccc(-c3cc[nH]n3)o2)C2(CCCCC2)C1 ZINC000435131019 529774034 /nfs/dbraw/zinc/77/40/34/529774034.db2.gz ALHYOWLRALFCMD-UHFFFAOYSA-N 1 0 314.433 3.120 10 0 DGAERO Cc1ccc(O)c(C[NH2+]Cc2ccc(Br)s2)n1 ZINC000103341505 432007494 /nfs/dbraw/zinc/00/74/94/432007494.db2.gz BSZDJBRSCAYOGC-UHFFFAOYSA-N 1 0 313.220 3.209 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@H](c2ccco2)N(C)C)cc1 ZINC000181616403 199327809 /nfs/dbraw/zinc/32/78/09/199327809.db2.gz HLGDTBOBKRSJMV-RHSMWYFYSA-N 1 0 302.418 3.284 10 0 DGAERO Cc1cccc2[nH]cc(CC(=O)NCC[N@H+]3CCCC[C@@H]3C)c21 ZINC000103430612 432009392 /nfs/dbraw/zinc/00/93/92/432009392.db2.gz KHPUADYPFYVEGF-HNNXBMFYSA-N 1 0 313.445 3.009 10 0 DGAERO CCC(C)(CC)[NH2+]Cc1ncc(I)s1 ZINC000286721520 219129571 /nfs/dbraw/zinc/12/95/71/219129571.db2.gz XHAOGYMMUQZMMM-UHFFFAOYSA-N 1 0 324.231 3.416 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000129911859 432010618 /nfs/dbraw/zinc/01/06/18/432010618.db2.gz BYBSCUBQZTZPTF-VXGBXAGGSA-N 1 0 315.866 3.412 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C(C)(C)c2ccccc2F)CC1 ZINC000129900000 432010791 /nfs/dbraw/zinc/01/07/91/432010791.db2.gz DYKXPVSZVGZVBR-UHFFFAOYSA-N 1 0 320.452 3.340 10 0 DGAERO C[NH2+]C[C@H]1CCCN(c2nnc(-c3cccc(F)c3)cc2C)C1 ZINC000420128888 530001931 /nfs/dbraw/zinc/00/19/31/530001931.db2.gz ULFFDAMQYBBMCF-CQSZACIVSA-N 1 0 314.408 3.027 10 0 DGAERO Cn1cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000230687613 201881888 /nfs/dbraw/zinc/88/18/88/201881888.db2.gz UUKDNKQHZUYYQD-GOOCMWNKSA-N 1 0 319.449 3.045 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)Cc2cccc(Cl)c2)CC1 ZINC000130119425 432015233 /nfs/dbraw/zinc/01/52/33/432015233.db2.gz OTRHITAEMGWUFP-UHFFFAOYSA-N 1 0 308.853 3.119 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(Cl)cc3)C2)c1 ZINC000105901147 432019207 /nfs/dbraw/zinc/01/92/07/432019207.db2.gz GDNMPTGFUBNOJO-SJORKVTESA-N 1 0 319.836 3.215 10 0 DGAERO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799880 432019435 /nfs/dbraw/zinc/01/94/35/432019435.db2.gz POUXYKRXRVHNBA-GOSISDBHSA-N 1 0 308.429 3.066 10 0 DGAERO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000236681658 201962076 /nfs/dbraw/zinc/96/20/76/201962076.db2.gz BHSQENIJXNCHQB-KRWDZBQOSA-N 1 0 304.365 3.189 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279762773 215124217 /nfs/dbraw/zinc/12/42/17/215124217.db2.gz RNLXGLLZVBNZPV-ZFWWWQNUSA-N 1 0 320.433 3.127 10 0 DGAERO [NH3+][C@H]1CCC[C@H](c2nc(-c3cccc(Br)c3)no2)C1 ZINC000070557322 190906436 /nfs/dbraw/zinc/90/64/36/190906436.db2.gz DEIPUPFINLKYJF-JQWIXIFHSA-N 1 0 322.206 3.484 10 0 DGAERO C[C@@H]1CCC[C@@H](C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000133385314 185979281 /nfs/dbraw/zinc/97/92/81/185979281.db2.gz WECYJZCYXFOCJS-GGPKGHCWSA-N 1 0 316.489 3.164 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCCSC)cc1NC(C)=O ZINC000133690639 186007220 /nfs/dbraw/zinc/00/72/20/186007220.db2.gz HEQPZHUXPZFKFI-LBPRGKRZSA-N 1 0 310.463 3.447 10 0 DGAERO C[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1Cl ZINC000140044389 186025149 /nfs/dbraw/zinc/02/51/49/186025149.db2.gz NMABSJWGHFJVDZ-CYBMUJFWSA-N 1 0 321.852 3.281 10 0 DGAERO Cc1ccc(CC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000152427326 186071733 /nfs/dbraw/zinc/07/17/33/186071733.db2.gz MNMPXPJUBZDDCQ-KRWDZBQOSA-N 1 0 310.445 3.344 10 0 DGAERO Cc1nc(Cl)ccc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000152483348 186077963 /nfs/dbraw/zinc/07/79/63/186077963.db2.gz QZKHGIGIBZLNAS-OAHLLOKOSA-N 1 0 317.820 3.076 10 0 DGAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(C1CC1)C1CC1 ZINC000163951817 186143713 /nfs/dbraw/zinc/14/37/13/186143713.db2.gz FLJIKRIVKZRUSB-UHFFFAOYSA-N 1 0 312.457 3.335 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000173299440 186173814 /nfs/dbraw/zinc/17/38/14/186173814.db2.gz IXQSMGJFDBPTED-QGPMSJSTSA-N 1 0 315.461 3.188 10 0 DGAERO CCc1cccc(C)c1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000164230826 186152463 /nfs/dbraw/zinc/15/24/63/186152463.db2.gz WMQCBBKIQJKBBP-HOCLYGCPSA-N 1 0 303.450 3.408 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cccnc1 ZINC000173343627 186179046 /nfs/dbraw/zinc/17/90/46/186179046.db2.gz ZMYLZHBSMSJKAR-NUEKZKHPSA-N 1 0 319.449 3.426 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)CCCc2cccs2)CC1 ZINC000130454684 432025462 /nfs/dbraw/zinc/02/54/62/432025462.db2.gz NUVVKSKUVCLOIO-UHFFFAOYSA-N 1 0 308.491 3.307 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000191831510 186260796 /nfs/dbraw/zinc/26/07/96/186260796.db2.gz DTFZFMCBIAGNBV-RDTXWAMCSA-N 1 0 322.880 3.319 10 0 DGAERO Cc1ccc(C[C@@H](C)N(C)C(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000237504435 186298363 /nfs/dbraw/zinc/29/83/63/186298363.db2.gz DJCOWQREDCXVID-IAGOWNOFSA-N 1 0 316.489 3.410 10 0 DGAERO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1OC ZINC000130513902 432026230 /nfs/dbraw/zinc/02/62/30/432026230.db2.gz APKQHXGNZPMFCZ-RHSMWYFYSA-N 1 0 315.413 3.396 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cccnc1Cl ZINC000130499231 432026493 /nfs/dbraw/zinc/02/64/93/432026493.db2.gz TWSRAAXHWONTEH-BXUZGUMPSA-N 1 0 306.793 3.128 10 0 DGAERO CC(C)COc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171890932 198001971 /nfs/dbraw/zinc/00/19/71/198001971.db2.gz HHSXMSZRDKFZRM-OAHLLOKOSA-N 1 0 317.433 3.033 10 0 DGAERO CC[C@@H](C)Oc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171891668 198002487 /nfs/dbraw/zinc/00/24/87/198002487.db2.gz BMVNIOYVMXEGQF-GDBMZVCRSA-N 1 0 317.433 3.176 10 0 DGAERO c1cnn(-c2ccc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)cc2)c1 ZINC000172068583 198033752 /nfs/dbraw/zinc/03/37/52/198033752.db2.gz WGCJCQVVWGIRQI-SFHVURJKSA-N 1 0 307.401 3.323 10 0 DGAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCCC2)c(OC)c1 ZINC000172170088 198051600 /nfs/dbraw/zinc/05/16/00/198051600.db2.gz AYCPDZRGYSFZBZ-CHWSQXEVSA-N 1 0 320.433 3.199 10 0 DGAERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000172618335 198125385 /nfs/dbraw/zinc/12/53/85/198125385.db2.gz FYYRBZPDBBLJRR-HUUCEWRRSA-N 1 0 311.429 3.098 10 0 DGAERO CC(C)(O)CCc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000072475238 191176992 /nfs/dbraw/zinc/17/69/92/191176992.db2.gz WPXOQLBRIASABW-IBGZPJMESA-N 1 0 316.489 3.060 10 0 DGAERO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCOCC(F)(F)F ZINC000067228603 432028847 /nfs/dbraw/zinc/02/88/47/432028847.db2.gz NWBKRIZDYOHWFZ-UKRRQHHQSA-N 1 0 317.351 3.417 10 0 DGAERO Cc1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000067443336 432030331 /nfs/dbraw/zinc/03/03/31/432030331.db2.gz AWGLUBLOBGGFAW-UHFFFAOYSA-N 1 0 306.413 3.417 10 0 DGAERO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000173209138 198195998 /nfs/dbraw/zinc/19/59/98/198195998.db2.gz VMMYDHDOJJMNMY-OXQOHEQNSA-N 1 0 321.424 3.431 10 0 DGAERO CCC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000173446334 198215315 /nfs/dbraw/zinc/21/53/15/198215315.db2.gz DVBASACRDHZLGW-QZTJIDSGSA-N 1 0 313.445 3.184 10 0 DGAERO CCc1ccc([C@H]2CCCCN2C(=O)NC2CC[NH+](C)CC2)o1 ZINC000173389086 198209249 /nfs/dbraw/zinc/20/92/49/198209249.db2.gz OTISLDZCOZGYQF-MRXNPFEDSA-N 1 0 319.449 3.173 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173396752 198210171 /nfs/dbraw/zinc/21/01/71/198210171.db2.gz AXQRNBMLXYIHKN-RVKKMQEKSA-N 1 0 317.477 3.434 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](c2ccccc2)C2CC2)CC[N@@H+]1C ZINC000173617381 198233031 /nfs/dbraw/zinc/23/30/31/198233031.db2.gz DEATUQSNCUWWHD-OLMNPRSZSA-N 1 0 315.461 3.262 10 0 DGAERO CC(C)CC(=O)N1CCC([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182058928 199381030 /nfs/dbraw/zinc/38/10/30/199381030.db2.gz WWZAMWSNQLITFV-QGZVFWFLSA-N 1 0 316.489 3.492 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(Cl)cc1C ZINC000182074268 199383145 /nfs/dbraw/zinc/38/31/45/199383145.db2.gz JBWQCAZOAGPXCH-QWHCGFSZSA-N 1 0 322.840 3.134 10 0 DGAERO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC000174169735 198301168 /nfs/dbraw/zinc/30/11/68/198301168.db2.gz PGLDXCLSWPBIOK-ALOPSCKCSA-N 1 0 301.434 3.440 10 0 DGAERO Cc1ccc(CCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000174176077 198301685 /nfs/dbraw/zinc/30/16/85/198301685.db2.gz PJFWHKQIJZPZSE-YQQQUEKLSA-N 1 0 314.473 3.368 10 0 DGAERO Cc1cncc(/C=C/C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000182098989 199386297 /nfs/dbraw/zinc/38/62/97/199386297.db2.gz YAOFPNNJMCHHHI-FVNWOWOISA-N 1 0 323.440 3.040 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174105633 198292368 /nfs/dbraw/zinc/29/23/68/198292368.db2.gz CRLKPIXHTSIJAK-IRXDYDNUSA-N 1 0 315.461 3.183 10 0 DGAERO O=C(c1cccc(Cl)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107529225 432033012 /nfs/dbraw/zinc/03/30/12/432033012.db2.gz CIVDVKVXSHPPCH-MRXNPFEDSA-N 1 0 306.837 3.431 10 0 DGAERO CCc1cnc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000174236919 198309350 /nfs/dbraw/zinc/30/93/50/198309350.db2.gz RTYWRHVHUOPDFO-AWEZNQCLSA-N 1 0 318.446 3.130 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2nc3ccccc3s2)CC[N@@H+]1C ZINC000174279818 198314386 /nfs/dbraw/zinc/31/43/86/198314386.db2.gz CZEQNXQJYOZKLN-VXGBXAGGSA-N 1 0 318.446 3.243 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000174393819 198330037 /nfs/dbraw/zinc/33/00/37/198330037.db2.gz YEHVDHIJIJQYKH-ZYHUDNBSSA-N 1 0 313.804 3.426 10 0 DGAERO CSc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174426696 198334027 /nfs/dbraw/zinc/33/40/27/198334027.db2.gz BQBNECMYXVTKIN-OLZOCXBDSA-N 1 0 307.463 3.355 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(cc(F)cc3C)[nH]2)C1 ZINC000174534044 198348862 /nfs/dbraw/zinc/34/88/62/198348862.db2.gz MHEGHNKOBFCTMU-CYBMUJFWSA-N 1 0 317.408 3.029 10 0 DGAERO CSc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000174732732 198377040 /nfs/dbraw/zinc/37/70/40/198377040.db2.gz KBVMQJLVJCCCHJ-GXTWGEPZSA-N 1 0 307.463 3.355 10 0 DGAERO O=C(c1cc(Cl)ccc1O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107531273 432034123 /nfs/dbraw/zinc/03/41/23/432034123.db2.gz HBIJIDLGAKBFJD-AWEZNQCLSA-N 1 0 322.836 3.136 10 0 DGAERO CSc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000175296456 198458073 /nfs/dbraw/zinc/45/80/73/198458073.db2.gz UKXBHSNBWCSDGY-QWHCGFSZSA-N 1 0 305.447 3.109 10 0 DGAERO Cc1nc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c(C)s1 ZINC000179070283 432036748 /nfs/dbraw/zinc/03/67/48/432036748.db2.gz VKBMKZRGFYLLFK-UHFFFAOYSA-N 1 0 309.479 3.144 10 0 DGAERO CCCN(C(=O)CCCc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000163344378 282992644 /nfs/dbraw/zinc/99/26/44/282992644.db2.gz BWGTWMZRSCTHPB-UHFFFAOYSA-N 1 0 302.462 3.308 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179063806 432038017 /nfs/dbraw/zinc/03/80/17/432038017.db2.gz GZONDLAXGODNSM-MLGOLLRUSA-N 1 0 314.360 3.157 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCC(C)CC2)cc1F ZINC000067766472 432039416 /nfs/dbraw/zinc/03/94/16/432039416.db2.gz ZYIJHQKRDGCXJM-UONOGXRCSA-N 1 0 322.424 3.132 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000182635624 199468413 /nfs/dbraw/zinc/46/84/13/199468413.db2.gz OMZBDWQTOBSABL-UWWQBHOKSA-N 1 0 321.486 3.443 10 0 DGAERO CSCCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000131491280 432040402 /nfs/dbraw/zinc/04/04/02/432040402.db2.gz ICZPIEQAJZQYIT-UHFFFAOYSA-N 1 0 306.519 3.426 10 0 DGAERO O=C(Nc1cc(F)cc(F)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107806666 432041078 /nfs/dbraw/zinc/04/10/78/432041078.db2.gz BQMJJYNHFGHBRV-INIZCTEOSA-N 1 0 323.387 3.447 10 0 DGAERO Cc1nc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c(C)s1 ZINC000179114610 432042572 /nfs/dbraw/zinc/04/25/72/432042572.db2.gz AMYNIUWMSVZOFI-CQSZACIVSA-N 1 0 309.479 3.000 10 0 DGAERO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000163872725 432043505 /nfs/dbraw/zinc/04/35/05/432043505.db2.gz CNBYPMCSDQZREA-ZETCQYMHSA-N 1 0 306.715 3.153 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)c1ccc(F)cc1 ZINC000179147895 432044388 /nfs/dbraw/zinc/04/43/88/432044388.db2.gz RCWJLRAYSKSQRN-MRXNPFEDSA-N 1 0 307.413 3.092 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N[C@H](C)c2ccc3[nH]ccc3c2)CC1 ZINC000067867508 432044488 /nfs/dbraw/zinc/04/44/88/432044488.db2.gz QCNGHOKCPHVNTN-CQSZACIVSA-N 1 0 313.445 3.466 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C2)n1 ZINC000236812396 202022456 /nfs/dbraw/zinc/02/24/56/202022456.db2.gz QQQQKJKRZBQMGN-TZMCWYRMSA-N 1 0 323.506 3.346 10 0 DGAERO CCn1cc(C2=CC[N@H+](CCCOc3ccccc3)CC2)cn1 ZINC000067879785 432044984 /nfs/dbraw/zinc/04/49/84/432044984.db2.gz BSWRWPLMZNJICJ-UHFFFAOYSA-N 1 0 311.429 3.461 10 0 DGAERO CC(C)NC(=O)CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000073604430 191330272 /nfs/dbraw/zinc/33/02/72/191330272.db2.gz BNNOKGWXUNRQEZ-UHFFFAOYSA-N 1 0 313.445 3.262 10 0 DGAERO CCc1nc(-c2ccc(C)cc2)nc(NC2CC[NH2+]CC2)c1C ZINC000073662906 191339539 /nfs/dbraw/zinc/33/95/39/191339539.db2.gz LQCZSZWKOPZIKL-UHFFFAOYSA-N 1 0 310.445 3.487 10 0 DGAERO CCc1nc(-c2ccccc2)nc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000073684725 191341078 /nfs/dbraw/zinc/34/10/78/191341078.db2.gz AHFRPHDGVODSFI-OAHLLOKOSA-N 1 0 310.445 3.426 10 0 DGAERO Cc1cc2nc(Cl)c(N3CCC(C[NH3+])CC3)nc2cc1C ZINC000073736012 191349597 /nfs/dbraw/zinc/34/95/97/191349597.db2.gz PBZSAFXLNNKHKY-UHFFFAOYSA-N 1 0 304.825 3.075 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)NCCC2=CCCC2)[C@@H]1c1ccccc1 ZINC000179210829 432050367 /nfs/dbraw/zinc/05/03/67/432050367.db2.gz BTJARHKAJUXZIA-ROUUACIJSA-N 1 0 313.445 3.231 10 0 DGAERO CC(C)Cn1ccnc1CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000164808019 432051636 /nfs/dbraw/zinc/05/16/36/432051636.db2.gz SQTGMICXIVBETM-AWEZNQCLSA-N 1 0 315.417 3.161 10 0 DGAERO C[C@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc(F)cc1F ZINC000179278271 432052565 /nfs/dbraw/zinc/05/25/65/432052565.db2.gz UMLGOZKJJUSITA-CYBMUJFWSA-N 1 0 322.399 3.155 10 0 DGAERO CC[C@H](C)CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179275773 432052589 /nfs/dbraw/zinc/05/25/89/432052589.db2.gz CRNHYTZGKTUAQI-BHYGNILZSA-N 1 0 303.450 3.119 10 0 DGAERO COc1ccc2oc(C[NH2+][C@H]3Cc4ccccc4[C@H]3O)cc2c1 ZINC000179307274 432054067 /nfs/dbraw/zinc/05/40/67/432054067.db2.gz PUNJDWOVIJTNPN-PKOBYXMFSA-N 1 0 309.365 3.189 10 0 DGAERO COc1ccc(Cl)cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080715049 192184213 /nfs/dbraw/zinc/18/42/13/192184213.db2.gz KEJRQTNJCLLXRB-AGUYFDCRSA-N 1 0 322.836 3.094 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H]1c1ccccc1 ZINC000179383113 432056585 /nfs/dbraw/zinc/05/65/85/432056585.db2.gz MBBMSJIBOLLPDC-IRXDYDNUSA-N 1 0 301.434 3.064 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CCN1C ZINC000179494251 432060366 /nfs/dbraw/zinc/06/03/66/432060366.db2.gz WKDWDGNNNDPVNN-BNEJOLLZSA-N 1 0 321.896 3.158 10 0 DGAERO CC[C@@H]1CCc2nc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000236971920 202100186 /nfs/dbraw/zinc/10/01/86/202100186.db2.gz ICNGBIWQJMWRFI-GRYCIOLGSA-N 1 0 307.463 3.114 10 0 DGAERO CCc1csc([C@@H]2CCCN(C(=O)CCCCCC[NH3+])C2)n1 ZINC000237018211 202123631 /nfs/dbraw/zinc/12/36/31/202123631.db2.gz PXSVJMKHBUSPIG-CQSZACIVSA-N 1 0 323.506 3.321 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc2c(c1)CCC2 ZINC000166504015 432060961 /nfs/dbraw/zinc/06/09/61/432060961.db2.gz VVIHLXQNLATORC-DNVCBOLYSA-N 1 0 324.472 3.228 10 0 DGAERO CCOc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1F ZINC000237053544 202136313 /nfs/dbraw/zinc/13/63/13/202136313.db2.gz XBTAFOPITQQLKS-CQDKDKBSSA-N 1 0 306.381 3.084 10 0 DGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)C2CCOCC2)C1 ZINC000133331509 432061303 /nfs/dbraw/zinc/06/13/03/432061303.db2.gz LBAYVKJUHGFWSL-JKSUJKDBSA-N 1 0 324.509 3.066 10 0 DGAERO CN1C[C@@H]([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CCC1=O ZINC000152499956 283203652 /nfs/dbraw/zinc/20/36/52/283203652.db2.gz QEFMJGDQGPJKPN-TVQRCGJNSA-N 1 0 313.228 3.191 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000237077538 202145367 /nfs/dbraw/zinc/14/53/67/202145367.db2.gz GPLPSNNRGOUSDJ-OAHLLOKOSA-N 1 0 318.461 3.096 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1cccc(OC)c1OC ZINC000237095212 202152099 /nfs/dbraw/zinc/15/20/99/202152099.db2.gz XEGVLPGSCBHPGE-UHFFFAOYSA-N 1 0 314.385 3.066 10 0 DGAERO C[NH2+]CC1CCN(C(=O)c2sc(C3CCCC3)nc2C)CC1 ZINC000237097069 202153552 /nfs/dbraw/zinc/15/35/52/202153552.db2.gz JFYNVHWVYXTRCG-UHFFFAOYSA-N 1 0 321.490 3.181 10 0 DGAERO C[NH2+]CCCC(=O)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000237122720 202158912 /nfs/dbraw/zinc/15/89/12/202158912.db2.gz IEJYYTBTODOURQ-UHFFFAOYSA-N 1 0 318.367 3.498 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)C1CCCCC1 ZINC000166642134 432061518 /nfs/dbraw/zinc/06/15/18/432061518.db2.gz DPYFNCRBNKGULA-WMZOPIPTSA-N 1 0 304.482 3.337 10 0 DGAERO Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000237130809 202162296 /nfs/dbraw/zinc/16/22/96/202162296.db2.gz AXTHTJRMBRIABQ-DOTOQJQBSA-N 1 0 302.462 3.249 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000237139391 202164366 /nfs/dbraw/zinc/16/43/66/202164366.db2.gz FWGLQHYXAFELHR-UHFFFAOYSA-N 1 0 310.397 3.303 10 0 DGAERO Fc1cc(-c2ccncc2)ccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179545803 432062136 /nfs/dbraw/zinc/06/21/36/432062136.db2.gz ZXUWSIPSPFDJEE-GOSISDBHSA-N 1 0 311.404 3.168 10 0 DGAERO Brc1cncc(C[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000166889923 432062586 /nfs/dbraw/zinc/06/25/86/432062586.db2.gz WPJIRPWAEDRBCL-INIZCTEOSA-N 1 0 317.230 3.491 10 0 DGAERO C[C@@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@@H]1O ZINC000167252280 432064513 /nfs/dbraw/zinc/06/45/13/432064513.db2.gz UGHIKJDQISCSFZ-MFKMUULPSA-N 1 0 304.217 3.075 10 0 DGAERO Cc1cc(C[N@H+](C)Cc2ccc(F)cc2)ccc1-n1cncn1 ZINC000179646211 432066002 /nfs/dbraw/zinc/06/60/02/432066002.db2.gz PYBWEEVVXNQEGY-UHFFFAOYSA-N 1 0 310.376 3.347 10 0 DGAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(Br)cc2Cl)C1 ZINC000168632228 432069720 /nfs/dbraw/zinc/06/97/20/432069720.db2.gz PWVGKGMUEPBEBD-GFCCVEGCSA-N 1 0 317.658 3.238 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2c(C)cccc2F)CC1 ZINC000133699740 432069995 /nfs/dbraw/zinc/06/99/95/432069995.db2.gz FUKMYTYAWLAXAP-UHFFFAOYSA-N 1 0 307.413 3.378 10 0 DGAERO C[C@@H]1CN(C2CC[NH+](CC(C)(C)c3ccccc3)CC2)CCO1 ZINC000179784931 432070496 /nfs/dbraw/zinc/07/04/96/432070496.db2.gz WLZWYQIAHQUUNG-QGZVFWFLSA-N 1 0 316.489 3.149 10 0 DGAERO NC(=O)C1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000035255396 283282567 /nfs/dbraw/zinc/28/25/67/283282567.db2.gz PGZAJGGVZWLWEB-UHFFFAOYSA-N 1 0 301.217 3.127 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(N2CCCC2)c(C)c1)[NH+](C)C ZINC000179431737 199034160 /nfs/dbraw/zinc/03/41/60/199034160.db2.gz RPTYXXVMZHNBEK-QGZVFWFLSA-N 1 0 303.450 3.264 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1cccc(OC(F)F)c1 ZINC000179596168 199061117 /nfs/dbraw/zinc/06/11/17/199061117.db2.gz SPZRSNLACRQTAK-WCQYABFASA-N 1 0 317.376 3.115 10 0 DGAERO CC1CCC(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)CC1 ZINC000179505289 199047478 /nfs/dbraw/zinc/04/74/78/199047478.db2.gz GJZDUKVPZMAMGM-QLOJAFMTSA-N 1 0 316.489 3.164 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ccccn2)CC1 ZINC000179604185 199062132 /nfs/dbraw/zinc/06/21/32/199062132.db2.gz OBKAPSIZRKGXJE-MRXNPFEDSA-N 1 0 310.445 3.397 10 0 DGAERO c1ccc(COc2cccc(C[NH+]3CCSCC3)c2)nc1 ZINC000179948363 199097853 /nfs/dbraw/zinc/09/78/53/199097853.db2.gz JCJWEQADYBQDOJ-UHFFFAOYSA-N 1 0 300.427 3.209 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C)c1F ZINC000179979218 199102467 /nfs/dbraw/zinc/10/24/67/199102467.db2.gz VVISLWLRKXLXDC-UONOGXRCSA-N 1 0 305.397 3.225 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000180107500 199117464 /nfs/dbraw/zinc/11/74/64/199117464.db2.gz RKGJOLJBQHOZHY-MNIJEXPFSA-N 1 0 314.473 3.339 10 0 DGAERO COCc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000180113373 199118859 /nfs/dbraw/zinc/11/88/59/199118859.db2.gz XENDQGWUIKDEGH-OALUTQOASA-N 1 0 324.424 3.008 10 0 DGAERO COc1cccc(F)c1[C@@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237282390 202215664 /nfs/dbraw/zinc/21/56/64/202215664.db2.gz OHNQBZVFXWLHQU-CHWSQXEVSA-N 1 0 322.424 3.037 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237288145 202217901 /nfs/dbraw/zinc/21/79/01/202217901.db2.gz OTMXAHDRSZEVCU-SWLSCSKDSA-N 1 0 316.376 3.102 10 0 DGAERO CCCn1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000180325834 199145509 /nfs/dbraw/zinc/14/55/09/199145509.db2.gz SIYURVSUWNYJSG-UHFFFAOYSA-N 1 0 312.417 3.141 10 0 DGAERO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000170652353 432075705 /nfs/dbraw/zinc/07/57/05/432075705.db2.gz UQVZKTCPJWUBFL-CABCVRRESA-N 1 0 306.450 3.047 10 0 DGAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(-c2ccncc2)c1 ZINC000180597548 199182235 /nfs/dbraw/zinc/18/22/35/199182235.db2.gz GPLGQEQABYZEFQ-KSSFIOAISA-N 1 0 319.412 3.006 10 0 DGAERO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237393374 202252387 /nfs/dbraw/zinc/25/23/87/202252387.db2.gz OUASMHXFKIAASV-XXQMMXQMSA-N 1 0 312.457 3.312 10 0 DGAERO Cc1csc(=O)n1CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000180728006 199202684 /nfs/dbraw/zinc/20/26/84/199202684.db2.gz DRCCJRRKAJDBDL-SNVBAGLBSA-N 1 0 314.813 3.362 10 0 DGAERO Cc1ccc(-c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)s2)o1 ZINC000180928790 199229539 /nfs/dbraw/zinc/22/95/39/199229539.db2.gz JNQHXAGXCLUNEY-LBPRGKRZSA-N 1 0 304.415 3.093 10 0 DGAERO COc1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)ccc1O ZINC000180064472 432076979 /nfs/dbraw/zinc/07/69/79/432076979.db2.gz VPYLIRHCAMTKAO-UHFFFAOYSA-N 1 0 311.381 3.396 10 0 DGAERO CC(C)CN(CC[NH+](C)C)C(=O)Nc1nc(C(C)C)cs1 ZINC000170703940 432077928 /nfs/dbraw/zinc/07/79/28/432077928.db2.gz DZBJAIVZJZKBKV-UHFFFAOYSA-N 1 0 312.483 3.318 10 0 DGAERO COc1cc(CNC2CC[NH+](CC3CCCC3)CC2)ccc1O ZINC000180171303 432079912 /nfs/dbraw/zinc/07/99/12/432079912.db2.gz MYJRAOQBORKJTE-UHFFFAOYSA-N 1 0 318.461 3.145 10 0 DGAERO O=C(Cc1ccccc1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000170760270 432079808 /nfs/dbraw/zinc/07/98/08/432079808.db2.gz JKFIQRCTDPQZID-SFHVURJKSA-N 1 0 306.409 3.240 10 0 DGAERO OCC[C@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCOC1 ZINC000180156021 432080172 /nfs/dbraw/zinc/08/01/72/432080172.db2.gz RJKJWWSFHGXYFF-IAGOWNOFSA-N 1 0 309.837 3.170 10 0 DGAERO CCc1onc(C)c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000185866302 199897595 /nfs/dbraw/zinc/89/75/95/199897595.db2.gz QGMLMLXJCBPVNU-AWEZNQCLSA-N 1 0 321.465 3.176 10 0 DGAERO COC1(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CCC1 ZINC000180192319 432080871 /nfs/dbraw/zinc/08/08/71/432080871.db2.gz GAIRPFLMTRTOLM-CQSZACIVSA-N 1 0 302.418 3.033 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C12CCOCC2 ZINC000186199423 199927572 /nfs/dbraw/zinc/92/75/72/199927572.db2.gz XMWVGXWLMCOVBP-ROUUACIJSA-N 1 0 303.446 3.183 10 0 DGAERO CSc1cc(C)ccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237429478 202263404 /nfs/dbraw/zinc/26/34/04/202263404.db2.gz OIWSRENKIARTTO-BPUTZDHNSA-N 1 0 318.486 3.254 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C12CCOCC2 ZINC000186331290 199943774 /nfs/dbraw/zinc/94/37/74/199943774.db2.gz KJMBWXGKXUIFRG-QZTJIDSGSA-N 1 0 321.436 3.322 10 0 DGAERO C/C(=C\C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000170812490 432082430 /nfs/dbraw/zinc/08/24/30/432082430.db2.gz MNUIQUIYMDMJDR-CCEZHUSRSA-N 1 0 316.420 3.316 10 0 DGAERO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170832191 432083118 /nfs/dbraw/zinc/08/31/18/432083118.db2.gz ISDKESLDJRNMPI-KBPBESRZSA-N 1 0 315.417 3.148 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)c(OC)c(C)c1 ZINC000180312041 432083475 /nfs/dbraw/zinc/08/34/75/432083475.db2.gz JANNKMSBTKRHFD-DLBZAZTESA-N 1 0 316.445 3.011 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CCCNC(=O)c1cccs1)CC2 ZINC000089640812 192832756 /nfs/dbraw/zinc/83/27/56/192832756.db2.gz UBOWMJMTGQYPGE-MRXNPFEDSA-N 1 0 314.454 3.454 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000186750444 200003296 /nfs/dbraw/zinc/00/32/96/200003296.db2.gz GCHMSWBIKKAUSM-SKDRFNHKSA-N 1 0 318.364 3.026 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000186771407 200006765 /nfs/dbraw/zinc/00/67/65/200006765.db2.gz WSZWNBPYQOTNKD-CZUORRHYSA-N 1 0 320.864 3.266 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186768014 200007134 /nfs/dbraw/zinc/00/71/34/200007134.db2.gz BNBIICYSGWHQRU-HNNXBMFYSA-N 1 0 318.461 3.150 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000186862974 200023243 /nfs/dbraw/zinc/02/32/43/200023243.db2.gz SZOQQGIQABGNTH-BXUZGUMPSA-N 1 0 318.804 3.328 10 0 DGAERO Cc1ccc(C)c(OCCCCC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170855370 432084839 /nfs/dbraw/zinc/08/48/39/432084839.db2.gz JXVOLJFZMADYGF-QGZVFWFLSA-N 1 0 318.461 3.015 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)Cc1ccccc1F ZINC000187810505 200160189 /nfs/dbraw/zinc/16/01/89/200160189.db2.gz ZSNOHEWDCZTXRJ-CXAGYDPISA-N 1 0 303.377 3.089 10 0 DGAERO COc1ccc(F)cc1C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000187597598 200133173 /nfs/dbraw/zinc/13/31/73/200133173.db2.gz KIVCCRRZPMOQSY-CQSZACIVSA-N 1 0 322.424 3.105 10 0 DGAERO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000187702932 200146713 /nfs/dbraw/zinc/14/67/13/200146713.db2.gz RVVLHDOBSAMFNM-PKOBYXMFSA-N 1 0 300.446 3.099 10 0 DGAERO Cc1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c(OC(C)(C)C)c1 ZINC000237538294 202275339 /nfs/dbraw/zinc/27/53/39/202275339.db2.gz RWUYEVUETNKEAL-OAHLLOKOSA-N 1 0 306.450 3.162 10 0 DGAERO Cc1ccc(C[C@H](C)N(C)C(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237542415 202275731 /nfs/dbraw/zinc/27/57/31/202275731.db2.gz SFXOFFULTNPUNZ-QFBILLFUSA-N 1 0 310.441 3.475 10 0 DGAERO Cc1ccc(C[C@H](C)N(C)C(=O)CCC2CC[NH2+]CC2)cc1 ZINC000237542016 202276399 /nfs/dbraw/zinc/27/63/99/202276399.db2.gz AUCQFSIHBZHBDU-INIZCTEOSA-N 1 0 302.462 3.164 10 0 DGAERO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 ZINC000237588782 202294407 /nfs/dbraw/zinc/29/44/07/202294407.db2.gz WQWUMIRQJURPEA-LBPRGKRZSA-N 1 0 313.353 3.037 10 0 DGAERO CC(C)[NH+]1CCN(CCCSc2ccc(F)c(F)c2)CC1 ZINC000188269569 200219808 /nfs/dbraw/zinc/21/98/08/200219808.db2.gz QFWRVRMWZZFGBR-UHFFFAOYSA-N 1 0 314.445 3.473 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@H]1C ZINC000188295796 200223325 /nfs/dbraw/zinc/22/33/25/200223325.db2.gz VNAQGKCQLOTVFH-PBHICJAKSA-N 1 0 313.401 3.126 10 0 DGAERO CCOCc1cc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)ccc1OC ZINC000188295469 200223607 /nfs/dbraw/zinc/22/36/07/200223607.db2.gz FEQVUOWIYARLJV-KBXCAEBGSA-N 1 0 307.434 3.089 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+]CCCCCn2cccn2)c1 ZINC000170906264 432086087 /nfs/dbraw/zinc/08/60/87/432086087.db2.gz AWIUJPLKRZZHJL-HNNXBMFYSA-N 1 0 317.433 3.421 10 0 DGAERO CCOC1CC(CC[NH2+]Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000188777710 200302347 /nfs/dbraw/zinc/30/23/47/200302347.db2.gz ORQMALQEMYXVSR-UHFFFAOYSA-N 1 0 316.449 3.307 10 0 DGAERO CC(C)(C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1F ZINC000188711481 200292127 /nfs/dbraw/zinc/29/21/27/200292127.db2.gz FNXHTKONUSYTNC-UHFFFAOYSA-N 1 0 312.388 3.023 10 0 DGAERO Cc1ccc(-c2ncc(C[N@@H+](C)CC3(CO)CC3)s2)cc1 ZINC000188948786 200326107 /nfs/dbraw/zinc/32/61/07/200326107.db2.gz YJAYHZLVMKFDKL-UHFFFAOYSA-N 1 0 302.443 3.323 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC000261639348 283514888 /nfs/dbraw/zinc/51/48/88/283514888.db2.gz CKUIQFIQUQMQRS-CZUORRHYSA-N 1 0 310.401 3.139 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccsc1 ZINC000189041979 200340286 /nfs/dbraw/zinc/34/02/86/200340286.db2.gz CXWOTOVYDXROHJ-WBMJQRKESA-N 1 0 318.417 3.339 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC000189275431 200374080 /nfs/dbraw/zinc/37/40/80/200374080.db2.gz XQQIRBOSWXSVLO-OAHLLOKOSA-N 1 0 309.768 3.311 10 0 DGAERO C[C@@H](CCc1ccccc1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000170938469 432088262 /nfs/dbraw/zinc/08/82/62/432088262.db2.gz MMFNFHDKLLBOAK-KRWDZBQOSA-N 1 0 310.445 3.010 10 0 DGAERO CCOC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)C(C)C ZINC000189343889 200384775 /nfs/dbraw/zinc/38/47/75/200384775.db2.gz BXRLREQQJYWCKW-SUMWQHHRSA-N 1 0 322.449 3.365 10 0 DGAERO CCCc1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000170938424 432088602 /nfs/dbraw/zinc/08/86/02/432088602.db2.gz QURXWCNSSWVLEM-UHFFFAOYSA-N 1 0 310.445 3.141 10 0 DGAERO COC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000170961228 432088783 /nfs/dbraw/zinc/08/87/83/432088783.db2.gz MUVOQMFOYGAUAI-OAHLLOKOSA-N 1 0 318.461 3.102 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246074755 432090417 /nfs/dbraw/zinc/09/04/17/432090417.db2.gz DASTZDYJHXEXMH-FUHWJXTLSA-N 1 0 314.473 3.198 10 0 DGAERO CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000180585470 432091002 /nfs/dbraw/zinc/09/10/02/432091002.db2.gz CZVFVOKQZPSSSQ-ZBFHGGJFSA-N 1 0 306.475 3.014 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)ccc2F)[C@@H](C)C1 ZINC000246059768 432091125 /nfs/dbraw/zinc/09/11/25/432091125.db2.gz RAQBXJLJGISNCB-XHDPSFHLSA-N 1 0 311.376 3.159 10 0 DGAERO c1csc([C@@H]([NH2+][C@@H]2CCc3ncnn3C2)C2CCCC2)c1 ZINC000180579949 432091875 /nfs/dbraw/zinc/09/18/75/432091875.db2.gz QQDSRCPYYNUKQF-CJNGLKHVSA-N 1 0 302.447 3.176 10 0 DGAERO CCCCNC(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000049280248 283580437 /nfs/dbraw/zinc/58/04/37/283580437.db2.gz YEDZSSHLUCOJFP-LLVKDONJSA-N 1 0 313.239 3.016 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CCOC3)C2)cs1 ZINC000449677380 240364078 /nfs/dbraw/zinc/36/40/78/240364078.db2.gz AOEBMYMSWXOTRJ-MRXNPFEDSA-N 1 0 303.431 3.141 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1C(F)(F)F ZINC000134957883 432092502 /nfs/dbraw/zinc/09/25/02/432092502.db2.gz YLUVTYJTCJLSCB-SNVBAGLBSA-N 1 0 320.330 3.305 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000449680419 240365677 /nfs/dbraw/zinc/36/56/77/240365677.db2.gz GRVPVKMGBSAQOR-CYBMUJFWSA-N 1 0 303.431 3.111 10 0 DGAERO COCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CC[C@H](C)C1 ZINC000434986949 238259992 /nfs/dbraw/zinc/25/99/92/238259992.db2.gz QYKYRKZKFYXHQF-UONOGXRCSA-N 1 0 303.406 3.307 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC(C)(C)Cc3occc31)CC2 ZINC000180627524 432093478 /nfs/dbraw/zinc/09/34/78/432093478.db2.gz GYYGVPIDGWTOHQ-TZMCWYRMSA-N 1 0 314.433 3.052 10 0 DGAERO C[C@H](C[NH+](C)C)Oc1ncnc2sc3c(c21)CCCCC3 ZINC000006183534 181317614 /nfs/dbraw/zinc/31/76/14/181317614.db2.gz IETGWIBWWYWEOL-LLVKDONJSA-N 1 0 305.447 3.289 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](C)c3c1cccc3C)CC2 ZINC000180627598 432093680 /nfs/dbraw/zinc/09/36/80/432093680.db2.gz QYESSURLUWVKFT-SQWLQELKSA-N 1 0 310.445 3.302 10 0 DGAERO c1nn2ccccc2c1CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435729994 238342821 /nfs/dbraw/zinc/34/28/21/238342821.db2.gz CKZHBVIBABGERT-GOSISDBHSA-N 1 0 312.461 3.221 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000054322523 283612680 /nfs/dbraw/zinc/61/26/80/283612680.db2.gz DNXPNJQTLRNGLO-NUJGCVRESA-N 1 0 324.509 3.207 10 0 DGAERO CCc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000246094342 432094418 /nfs/dbraw/zinc/09/44/18/432094418.db2.gz VOBCDBYNXPCKFW-RHSMWYFYSA-N 1 0 303.450 3.443 10 0 DGAERO COc1ccccc1/C=C/CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246093599 432095212 /nfs/dbraw/zinc/09/52/12/432095212.db2.gz IUSSPDMAYWFDIA-IGCXZHCHSA-N 1 0 300.446 3.125 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)cn2)cn1 ZINC000246100700 432095373 /nfs/dbraw/zinc/09/53/73/432095373.db2.gz IJXCSXKIMRBGOH-HZPDHXFCSA-N 1 0 314.458 3.127 10 0 DGAERO C[C@@H]([NH2+]CCOCC(F)(F)F)c1cccc(-n2ccnc2)c1 ZINC000180657128 432095349 /nfs/dbraw/zinc/09/53/49/432095349.db2.gz XHCTULUGSPJXSH-GFCCVEGCSA-N 1 0 313.323 3.102 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000056863916 283633769 /nfs/dbraw/zinc/63/37/69/283633769.db2.gz WSEINKWLZXBKEV-PBHICJAKSA-N 1 0 321.440 3.403 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)CC2 ZINC000180650436 432095623 /nfs/dbraw/zinc/09/56/23/432095623.db2.gz HHMUCMOBFSARED-NHYWBVRUSA-N 1 0 320.387 3.345 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)o1 ZINC000246106166 432095665 /nfs/dbraw/zinc/09/56/65/432095665.db2.gz HNVVRYCXSZJLRE-CORIIIEPSA-N 1 0 307.438 3.082 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000193231249 201009642 /nfs/dbraw/zinc/00/96/42/201009642.db2.gz JNONSCHPUVVYON-GFCCVEGCSA-N 1 0 310.388 3.020 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1nc3ccccc3s1)CC2 ZINC000135065552 432096147 /nfs/dbraw/zinc/09/61/47/432096147.db2.gz XERVCVPVQGQZRK-DYVFJYSZSA-N 1 0 302.443 3.423 10 0 DGAERO C[C@H]([NH3+])CCC(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000193217056 201008757 /nfs/dbraw/zinc/00/87/57/201008757.db2.gz FXCKCZULBUJMPQ-AWEZNQCLSA-N 1 0 306.425 3.271 10 0 DGAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000193367533 201039845 /nfs/dbraw/zinc/03/98/45/201039845.db2.gz NWFMTUXOSWIIKP-UONOGXRCSA-N 1 0 322.474 3.467 10 0 DGAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000193498861 201065151 /nfs/dbraw/zinc/06/51/51/201065151.db2.gz FITMGKPMFMEWQP-BEFAXECRSA-N 1 0 308.425 3.148 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC2(SC)CC2)cc1NC(C)=O ZINC000193825737 201130127 /nfs/dbraw/zinc/13/01/27/201130127.db2.gz TZOIZLPCJPYNFS-NSHDSACASA-N 1 0 308.447 3.200 10 0 DGAERO NC(=O)CC1CC[NH+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000194420689 201222546 /nfs/dbraw/zinc/22/25/46/201222546.db2.gz UKLVCQOXFRPCNU-UHFFFAOYSA-N 1 0 315.244 3.123 10 0 DGAERO COc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1Cl ZINC000194428096 201224055 /nfs/dbraw/zinc/22/40/55/201224055.db2.gz PRKVZKSVCMAPEY-ZDUSSCGKSA-N 1 0 323.824 3.051 10 0 DGAERO c1coc(-c2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)no2)c1 ZINC000441234124 239025325 /nfs/dbraw/zinc/02/53/25/239025325.db2.gz VENMMSMKYUMWCZ-ZIAGYGMSSA-N 1 0 302.374 3.183 10 0 DGAERO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC(=O)N(C)CC2CC2)cc1 ZINC000441337056 239036371 /nfs/dbraw/zinc/03/63/71/239036371.db2.gz CJQOXRFVEQCTHH-RBUKOAKNSA-N 1 0 314.473 3.431 10 0 DGAERO C[C@H](C[NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccccc1 ZINC000194714228 201277109 /nfs/dbraw/zinc/27/71/09/201277109.db2.gz YRENKEKIGSFIER-OAHLLOKOSA-N 1 0 322.412 3.277 10 0 DGAERO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246124817 432098595 /nfs/dbraw/zinc/09/85/95/432098595.db2.gz BJMMISZXRDPTGE-IAGOWNOFSA-N 1 0 308.853 3.198 10 0 DGAERO Cn1c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)cc2sc1=O ZINC000194995122 201323697 /nfs/dbraw/zinc/32/36/97/201323697.db2.gz DIUJOFUAOQCIIG-KBPBESRZSA-N 1 0 302.443 3.365 10 0 DGAERO Cn1c2ccc(C[N@@H+]3CCC[C@@H]3C3CCC3)cc2sc1=O ZINC000194999093 201324512 /nfs/dbraw/zinc/32/45/12/201324512.db2.gz HIUCBZVSQCQRKZ-CQSZACIVSA-N 1 0 302.443 3.365 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCc1ccc(F)c(F)c1 ZINC000246125379 432099319 /nfs/dbraw/zinc/09/93/19/432099319.db2.gz BQCHFNUBKXNVDI-CXAGYDPISA-N 1 0 324.415 3.086 10 0 DGAERO FC(F)(F)c1ncc(C[NH2+]C[C@H]2CC23CCOCC3)s1 ZINC000443998172 239248429 /nfs/dbraw/zinc/24/84/29/239248429.db2.gz SYKDZXBDZNXIJE-SECBINFHSA-N 1 0 306.353 3.068 10 0 DGAERO Cc1cc(NCCC[NH+]2CCCCC2)nc(-c2ccncc2)n1 ZINC000195302325 201374264 /nfs/dbraw/zinc/37/42/64/201374264.db2.gz RMCODHGRGYGMLK-UHFFFAOYSA-N 1 0 311.433 3.135 10 0 DGAERO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccs2)cc1F ZINC000195485488 201395371 /nfs/dbraw/zinc/39/53/71/201395371.db2.gz HUVKFWUQDWKYTA-LBPRGKRZSA-N 1 0 306.406 3.163 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1cccc(OC(C)C)c1 ZINC000068894632 283722492 /nfs/dbraw/zinc/72/24/92/283722492.db2.gz FYXUGNPXRHOIHN-QGZVFWFLSA-N 1 0 320.477 3.109 10 0 DGAERO CC(C)(O)C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000189876037 432100162 /nfs/dbraw/zinc/10/01/62/432100162.db2.gz NMFHDDHCJNMKRN-UHFFFAOYSA-N 1 0 304.365 3.216 10 0 DGAERO Cc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1C(F)(F)F ZINC000171073978 432100522 /nfs/dbraw/zinc/10/05/22/432100522.db2.gz ACDHIDFUVMVDFK-GFCCVEGCSA-N 1 0 315.339 3.182 10 0 DGAERO Cc1ccc(C[C@H](C)N(C)C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000246232107 202574389 /nfs/dbraw/zinc/57/43/89/202574389.db2.gz HZILGMQDWXEQQK-AOIWGVFYSA-N 1 0 316.489 3.410 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000171084639 432101433 /nfs/dbraw/zinc/10/14/33/432101433.db2.gz YMPPJCUCEBBIEA-NSHDSACASA-N 1 0 315.389 3.169 10 0 DGAERO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1SC ZINC000246992892 202635421 /nfs/dbraw/zinc/63/54/21/202635421.db2.gz FHZHWWZHRXFCFK-ZFWWWQNUSA-N 1 0 306.475 3.086 10 0 DGAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]C/C=C/c2ccc(F)cc2)cn1 ZINC000275530485 212398085 /nfs/dbraw/zinc/39/80/85/212398085.db2.gz LVIZJASGPBTEOR-FCBDPGHLSA-N 1 0 315.392 3.082 10 0 DGAERO CC1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000074019407 283787466 /nfs/dbraw/zinc/78/74/66/283787466.db2.gz SHHRBRNZZBJOQA-UHFFFAOYSA-N 1 0 315.461 3.224 10 0 DGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3C)cc2)CC1 ZINC000074165046 283791225 /nfs/dbraw/zinc/79/12/25/283791225.db2.gz FZOJOKPLFGASDL-UHFFFAOYSA-N 1 0 323.440 3.389 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000135194628 432104058 /nfs/dbraw/zinc/10/40/58/432104058.db2.gz BTRDEIJLPPMJPT-UHFFFAOYSA-N 1 0 322.412 3.324 10 0 DGAERO C[NH+](C)CCC1CCN(C(=O)NC2CCC(C)(C)CC2)CC1 ZINC000074508762 283799462 /nfs/dbraw/zinc/79/94/62/283799462.db2.gz XYCIVYDBKIXTSQ-UHFFFAOYSA-N 1 0 309.498 3.329 10 0 DGAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000275420852 212321682 /nfs/dbraw/zinc/32/16/82/212321682.db2.gz DRBIXHVRFJSBEK-AWHANYKDSA-N 1 0 311.429 3.284 10 0 DGAERO c1c2cccnc2oc1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000449079713 240006758 /nfs/dbraw/zinc/00/67/58/240006758.db2.gz ZZMQQCDXBIEKMS-HNNXBMFYSA-N 1 0 307.397 3.444 10 0 DGAERO COc1cccc(CC[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)n1 ZINC000449187362 240058525 /nfs/dbraw/zinc/05/85/25/240058525.db2.gz MKSNEWIHMZZWBW-GFCCVEGCSA-N 1 0 306.356 3.304 10 0 DGAERO CCC[N@H+](CCC(=O)N(C)c1ccccc1)C[C@H]1CCCCO1 ZINC000135185590 432104464 /nfs/dbraw/zinc/10/44/64/432104464.db2.gz IROPSOSOGILNPE-GOSISDBHSA-N 1 0 318.461 3.321 10 0 DGAERO Clc1cc(C[NH2+]CCCO[C@H]2CCOC2)c(Cl)s1 ZINC000449193483 240060929 /nfs/dbraw/zinc/06/09/29/240060929.db2.gz SONCTSZYQIDJNV-JTQLQIEISA-N 1 0 310.246 3.340 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)o1 ZINC000275396891 212308038 /nfs/dbraw/zinc/30/80/38/212308038.db2.gz CESCYXYOEAKANM-VAGZCVSGSA-N 1 0 315.417 3.004 10 0 DGAERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)C1CCCCC1 ZINC000177320089 299350656 /nfs/dbraw/zinc/35/06/56/299350656.db2.gz UARRAOCWAWQALZ-YJBOKZPZSA-N 1 0 302.462 3.244 10 0 DGAERO C[C@H](F)CC[NH2+]Cc1ccc(I)cc1 ZINC000449342397 240144087 /nfs/dbraw/zinc/14/40/87/240144087.db2.gz BGHPQUSSSYFDQW-VIFPVBQESA-N 1 0 307.150 3.129 10 0 DGAERO c1cn2c(n1)[C@H](NCc1ccccc1C[NH+]1CCCCC1)CC2 ZINC000449371740 240160589 /nfs/dbraw/zinc/16/05/89/240160589.db2.gz YFMYOYCAVWQHCC-GOSISDBHSA-N 1 0 310.445 3.104 10 0 DGAERO COc1ccc(OC)c(C[NH2+]C[C@H](Cc2ccccc2)OC)c1 ZINC000449394459 240173119 /nfs/dbraw/zinc/17/31/19/240173119.db2.gz QNOOIODPBFQJEZ-SFHVURJKSA-N 1 0 315.413 3.051 10 0 DGAERO Cc1cc(CC[NH2+]Cc2cc(F)cc(Br)c2)on1 ZINC000449321065 240130149 /nfs/dbraw/zinc/13/01/49/240130149.db2.gz RDEXYVVWNGVHNO-UHFFFAOYSA-N 1 0 313.170 3.217 10 0 DGAERO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1c(Br)cnn1C ZINC000449437311 240203545 /nfs/dbraw/zinc/20/35/45/240203545.db2.gz YUDAGBQLYPTVLO-WDEREUQCSA-N 1 0 300.244 3.099 10 0 DGAERO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C(C)C ZINC000449441421 240207168 /nfs/dbraw/zinc/20/71/68/240207168.db2.gz QZNZIJODYLIQHF-KSZLIROESA-N 1 0 302.462 3.415 10 0 DGAERO COc1cc(OC)c(C[C@@H](C)[NH2+][C@H](C)C2CCC2)c(OC)c1 ZINC000449466597 240223456 /nfs/dbraw/zinc/22/34/56/240223456.db2.gz HUBRJGHKNZWELB-CHWSQXEVSA-N 1 0 307.434 3.422 10 0 DGAERO OCC1(CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000449580052 240301321 /nfs/dbraw/zinc/30/13/21/240301321.db2.gz MLPDKHKNFRRDIO-CYBMUJFWSA-N 1 0 324.262 3.059 10 0 DGAERO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246188690 432105209 /nfs/dbraw/zinc/10/52/09/432105209.db2.gz CWEUAFICNZGTJN-YUDUHTQSSA-N 1 0 324.852 3.050 10 0 DGAERO CCC[C@@H](C(=O)N(C)Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC000135209550 432105595 /nfs/dbraw/zinc/10/55/95/432105595.db2.gz OYNZFTPPEXDVRK-AWEZNQCLSA-N 1 0 300.805 3.168 10 0 DGAERO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCC[C@H]1O ZINC000246186254 432106083 /nfs/dbraw/zinc/10/60/83/432106083.db2.gz DHANBDFCZPINQH-SMDDNHRTSA-N 1 0 316.214 3.181 10 0 DGAERO C[C@H]1C[C@H](CCN2CC[NH+](CC3CCOCC3)CC2)C[C@@H](C)C1 ZINC000246187253 432106318 /nfs/dbraw/zinc/10/63/18/432106318.db2.gz HQUQKUMUTRQSOP-RUYXUALKSA-N 1 0 322.537 3.493 10 0 DGAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000091373923 193047958 /nfs/dbraw/zinc/04/79/58/193047958.db2.gz LQIWYBGPAKCSBI-XHDPSFHLSA-N 1 0 315.866 3.204 10 0 DGAERO CC(C)[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000091374841 193048187 /nfs/dbraw/zinc/04/81/87/193048187.db2.gz ZMPONICRQHWZOO-IEBWSBKVSA-N 1 0 310.445 3.432 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(F)cc2Cl)CCN1C ZINC000091675612 193089714 /nfs/dbraw/zinc/08/97/14/193089714.db2.gz LELPKPBEOFWSIA-TZMCWYRMSA-N 1 0 314.832 3.272 10 0 DGAERO CO[C@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000091772272 193104654 /nfs/dbraw/zinc/10/46/54/193104654.db2.gz RZGSUYXODHTEAY-KRWDZBQOSA-N 1 0 300.377 3.499 10 0 DGAERO CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000246202231 432107401 /nfs/dbraw/zinc/10/74/01/432107401.db2.gz FCQDIJGLENAHCU-KZNAEPCWSA-N 1 0 302.462 3.422 10 0 DGAERO Cc1n[nH]c2cc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)ccc12 ZINC000091834928 193115066 /nfs/dbraw/zinc/11/50/66/193115066.db2.gz YODIPIFOIRUTNM-CYBMUJFWSA-N 1 0 300.406 3.074 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cccc(Cl)c1Cl ZINC000282469740 299360208 /nfs/dbraw/zinc/36/02/08/299360208.db2.gz WFUZPWAMQUKOHB-HOTUBEGUSA-N 1 0 301.217 3.311 10 0 DGAERO COc1cc(Br)ccc1C[NH2+][C@H]1CCSC1 ZINC000180949831 432108074 /nfs/dbraw/zinc/10/80/74/432108074.db2.gz FATYROKCLXTTNP-NSHDSACASA-N 1 0 302.237 3.053 10 0 DGAERO CCCN(Cc1ccccc1)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000079254154 283876658 /nfs/dbraw/zinc/87/66/58/283876658.db2.gz IABVILWGQZGTKH-INIZCTEOSA-N 1 0 305.466 3.339 10 0 DGAERO C[C@@]1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]1 ZINC000079515139 283881953 /nfs/dbraw/zinc/88/19/53/283881953.db2.gz AQGXDWFFBULFJY-DOMZBBRYSA-N 1 0 310.850 3.135 10 0 DGAERO CS[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000451321580 241082148 /nfs/dbraw/zinc/08/21/48/241082148.db2.gz CUUIQUCPMHJETG-STQMWFEESA-N 1 0 319.392 3.046 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451219638 241051098 /nfs/dbraw/zinc/05/10/98/241051098.db2.gz DQRDVLMNFZPWNB-CDSGDHGGSA-N 1 0 320.864 3.196 10 0 DGAERO c1ncn(Cc2ccccc2)c1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451654558 241199071 /nfs/dbraw/zinc/19/90/71/241199071.db2.gz OTMYFMGXBKIDNQ-GOSISDBHSA-N 1 0 313.470 3.259 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C)c1Cl ZINC000246224483 432108922 /nfs/dbraw/zinc/10/89/22/432108922.db2.gz FOMUJEDGGSCLPH-KBPBESRZSA-N 1 0 306.837 3.347 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCC12CCCC2)COCc1ccccc1F ZINC000451469290 241131884 /nfs/dbraw/zinc/13/18/84/241131884.db2.gz LXYJGCWYNAVAFW-NVXWUHKLSA-N 1 0 307.409 3.016 10 0 DGAERO CC[C@H](C)C[C@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000080504490 283898503 /nfs/dbraw/zinc/89/85/03/283898503.db2.gz REGAUWWUQVYOJN-ULQDDVLXSA-N 1 0 309.498 3.471 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N(C)CC2([NH+](C)C)CCC2)cc1F ZINC000189983616 432109528 /nfs/dbraw/zinc/10/95/28/432109528.db2.gz ADRDJAZQGDUEAV-CQSZACIVSA-N 1 0 321.440 3.321 10 0 DGAERO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000451967049 241288576 /nfs/dbraw/zinc/28/85/76/241288576.db2.gz GKZRXJDIQLVHOJ-QGZVFWFLSA-N 1 0 304.409 3.139 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(Br)s1 ZINC000216411160 201492930 /nfs/dbraw/zinc/49/29/30/201492930.db2.gz XXVCPWCKOYLJPG-LPEHRKFASA-N 1 0 304.253 3.465 10 0 DGAERO CCCc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000452171957 241341192 /nfs/dbraw/zinc/34/11/92/241341192.db2.gz SYSRBLZARQGHSP-OAHLLOKOSA-N 1 0 300.446 3.195 10 0 DGAERO COc1cccc([C@H](C)[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000081643737 283923985 /nfs/dbraw/zinc/92/39/85/283923985.db2.gz DEXWPAPLRFXHNO-HNNXBMFYSA-N 1 0 312.413 3.284 10 0 DGAERO C[NH+](C)Cc1ccccc1CNC(=O)c1scnc1C1CC1 ZINC000089604429 283953943 /nfs/dbraw/zinc/95/39/43/283953943.db2.gz HXILDWLVTVJIEG-UHFFFAOYSA-N 1 0 315.442 3.012 10 0 DGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(C)cc(OC)c1C ZINC000455286541 242157592 /nfs/dbraw/zinc/15/75/92/242157592.db2.gz UZKYMPSXVUWRIE-OAHLLOKOSA-N 1 0 319.449 3.260 10 0 DGAERO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000455285928 242158674 /nfs/dbraw/zinc/15/86/74/242158674.db2.gz SEQBQZISJWYNBS-XNRPHZJLSA-N 1 0 321.490 3.229 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)c1scnc1C1CC1)C1CCCCC1 ZINC000090011514 283980901 /nfs/dbraw/zinc/98/09/01/283980901.db2.gz MHTIPRRFMRFJOX-AWEZNQCLSA-N 1 0 321.490 3.261 10 0 DGAERO CC(C)c1ccc(/C=C/CC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000457386891 242742474 /nfs/dbraw/zinc/74/24/74/242742474.db2.gz UGMZYIXPPNTLGW-ONEGZZNKSA-N 1 0 300.446 3.329 10 0 DGAERO CC(=O)Oc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000246305188 432116230 /nfs/dbraw/zinc/11/62/30/432116230.db2.gz YNMDXUOQOSEWSG-MSOLQXFVSA-N 1 0 316.445 3.059 10 0 DGAERO COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000222089763 201601222 /nfs/dbraw/zinc/60/12/22/201601222.db2.gz RVWNOMRWVIXCON-CYBMUJFWSA-N 1 0 308.422 3.088 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000101975977 284021148 /nfs/dbraw/zinc/02/11/48/284021148.db2.gz FSUZQCBGZAEDKM-INIZCTEOSA-N 1 0 323.868 3.431 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](CCCOc2ccccc2C)C1 ZINC000101563066 284018581 /nfs/dbraw/zinc/01/85/81/284018581.db2.gz AAVKAQGCWPHXHL-KRWDZBQOSA-N 1 0 318.461 3.145 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246298696 432116484 /nfs/dbraw/zinc/11/64/84/432116484.db2.gz AIEBBWPKRKDCQR-BBRMVZONSA-N 1 0 323.868 3.212 10 0 DGAERO CCOc1cc(Cl)ccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000181166159 432116526 /nfs/dbraw/zinc/11/65/26/432116526.db2.gz YJIAINOWLDDDCP-UHFFFAOYSA-N 1 0 322.836 3.049 10 0 DGAERO C[C@H](CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246290535 432116827 /nfs/dbraw/zinc/11/68/27/432116827.db2.gz OQWNDEAJZVSEBH-AEFFLSMTSA-N 1 0 300.446 3.267 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000102558531 284022625 /nfs/dbraw/zinc/02/26/25/284022625.db2.gz KKEMLHAEQPFGGC-QWHCGFSZSA-N 1 0 310.413 3.132 10 0 DGAERO Cc1ccc(C(C)(C)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000103206211 284026900 /nfs/dbraw/zinc/02/69/00/284026900.db2.gz ASBFYJKKFAOMQZ-UHFFFAOYSA-N 1 0 314.473 3.359 10 0 DGAERO COc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000103484799 284031491 /nfs/dbraw/zinc/03/14/91/284031491.db2.gz DMKHCNQSQHGHDS-UHFFFAOYSA-N 1 0 312.413 3.467 10 0 DGAERO COCCOc1ccccc1C[NH+]1CCC(OCC(C)C)CC1 ZINC000092223320 193176245 /nfs/dbraw/zinc/17/62/45/193176245.db2.gz OGWDYCLFLASMAZ-UHFFFAOYSA-N 1 0 321.461 3.349 10 0 DGAERO CCOC[C@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000104355076 284035864 /nfs/dbraw/zinc/03/58/64/284035864.db2.gz IZOBFRIINVBSDA-XHDPSFHLSA-N 1 0 312.251 3.321 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000458414868 243052301 /nfs/dbraw/zinc/05/23/01/243052301.db2.gz LJVKLRONTBOWNJ-SJLPKXTDSA-N 1 0 317.477 3.223 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105233922 284038761 /nfs/dbraw/zinc/03/87/61/284038761.db2.gz DZSHSUNGXFLPQY-OAHLLOKOSA-N 1 0 321.465 3.464 10 0 DGAERO Clc1ccccc1CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182577 284043248 /nfs/dbraw/zinc/04/32/48/284043248.db2.gz ATSWXCOFLBYPKK-UHFFFAOYSA-N 1 0 303.837 3.491 10 0 DGAERO CCn1nncc1C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000459390551 243355478 /nfs/dbraw/zinc/35/54/78/243355478.db2.gz BLLNFQOHQQBDLT-CQSZACIVSA-N 1 0 302.397 3.207 10 0 DGAERO CCn1nncc1C[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000459325857 243336228 /nfs/dbraw/zinc/33/62/28/243336228.db2.gz MDBRAGUBAVNNHZ-UHFFFAOYSA-N 1 0 316.424 3.424 10 0 DGAERO c1ccc(CN2CC[C@@H]([N@@H+]3CC[C@@H](C4CCOCC4)C3)C2)cc1 ZINC000459370091 243351557 /nfs/dbraw/zinc/35/15/57/243351557.db2.gz HEHISRTUJDRURT-WOJBJXKFSA-N 1 0 314.473 3.009 10 0 DGAERO CO[C@H]1CC[C@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459490973 243388909 /nfs/dbraw/zinc/38/89/09/243388909.db2.gz CMIIWXVINPUYJS-STQMWFEESA-N 1 0 305.447 3.239 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Cc1ccccc1C(F)(F)F ZINC000459794008 243504546 /nfs/dbraw/zinc/50/45/46/243504546.db2.gz VYXSHZDDTPVFRD-UYHMYPTGSA-N 1 0 313.363 3.387 10 0 DGAERO CCCCOc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1OC ZINC000092970428 193190424 /nfs/dbraw/zinc/19/04/24/193190424.db2.gz NYVNMEFSATUMKU-OAHLLOKOSA-N 1 0 321.461 3.467 10 0 DGAERO CC[C@@H]1CCCC[C@H]1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000465667284 243848632 /nfs/dbraw/zinc/84/86/32/243848632.db2.gz WOFRONXYTPMIFP-IAGOWNOFSA-N 1 0 309.498 3.376 10 0 DGAERO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H](O)COC(C)(C)C)cc1 ZINC000113517899 284102422 /nfs/dbraw/zinc/10/24/22/284102422.db2.gz FFWVXNZSCSHUMS-MSOLQXFVSA-N 1 0 305.462 3.178 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113618938 284103789 /nfs/dbraw/zinc/10/37/89/284103789.db2.gz MTTCVGOOEIEPLQ-XYJFISCASA-N 1 0 315.461 3.243 10 0 DGAERO C[C@@H]1CC(CC[NH+]2CCC(N3CCCNC3=O)CC2)C[C@@H](C)C1 ZINC000135447986 432118756 /nfs/dbraw/zinc/11/87/56/432118756.db2.gz NIWOUCAWJIDQAS-HOTGVXAUSA-N 1 0 321.509 3.329 10 0 DGAERO C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000261563729 203077052 /nfs/dbraw/zinc/07/70/52/203077052.db2.gz XGQGXQCRNHYCCV-KXBFYZLASA-N 1 0 324.424 3.075 10 0 DGAERO CC(C)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000468973211 244076765 /nfs/dbraw/zinc/07/67/65/244076765.db2.gz OWCUZDRJQJSYAN-AWEZNQCLSA-N 1 0 318.417 3.112 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[C@@H]2C(C)C)n1 ZINC000468976853 244077715 /nfs/dbraw/zinc/07/77/15/244077715.db2.gz MWVCQEKRDRJPCB-OLZOCXBDSA-N 1 0 310.463 3.277 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@H]2CCCC[C@H]2C2CC2)n1 ZINC000468999270 244078314 /nfs/dbraw/zinc/07/83/14/244078314.db2.gz QFVXCNDUIMRXPQ-KBPBESRZSA-N 1 0 322.474 3.421 10 0 DGAERO CC(C)[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000115834149 284116944 /nfs/dbraw/zinc/11/69/44/284116944.db2.gz LOHFKOGPMODBLI-CZUORRHYSA-N 1 0 323.868 3.383 10 0 DGAERO CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000117037487 284123265 /nfs/dbraw/zinc/12/32/65/284123265.db2.gz UJKKRXDFCQEQDO-WMZOPIPTSA-N 1 0 317.477 3.481 10 0 DGAERO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000470944344 244195211 /nfs/dbraw/zinc/19/52/11/244195211.db2.gz JNCHEFURDAHIML-UMVBOHGHSA-N 1 0 317.351 3.007 10 0 DGAERO COc1c(C[NH+]2CCC(C)(c3ccccc3)CC2)c(C)nn1C ZINC000093133765 193205585 /nfs/dbraw/zinc/20/55/85/193205585.db2.gz GCFFHLCEXSUIBJ-UHFFFAOYSA-N 1 0 313.445 3.291 10 0 DGAERO CCC[N@@H+](Cc1ccccc1NC(C)=O)C[C@H]1CCCCO1 ZINC000093132499 193206060 /nfs/dbraw/zinc/20/60/60/193206060.db2.gz UXMFHIDNDVUAML-QGZVFWFLSA-N 1 0 304.434 3.426 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000246325684 432119915 /nfs/dbraw/zinc/11/99/15/432119915.db2.gz CPEBCPVYBGDWCP-NCOADZHNSA-N 1 0 309.498 3.184 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119027414 284132626 /nfs/dbraw/zinc/13/26/26/284132626.db2.gz ACOVPULPZJKDLZ-MSOLQXFVSA-N 1 0 302.462 3.292 10 0 DGAERO c1sc(Cc2ccccc2)nc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246327587 432120042 /nfs/dbraw/zinc/12/00/42/432120042.db2.gz KWNVIVZCHDLLKV-KRWDZBQOSA-N 1 0 313.470 3.014 10 0 DGAERO CSc1ccc(OCC[NH2+]C2(CCO)CCCCC2)cc1 ZINC000474284969 244386345 /nfs/dbraw/zinc/38/63/45/244386345.db2.gz PYRBRRVIKXBJHO-UHFFFAOYSA-N 1 0 309.475 3.462 10 0 DGAERO CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000262398473 203283685 /nfs/dbraw/zinc/28/36/85/203283685.db2.gz QTBGFUTYPNWXBF-DZKIICNBSA-N 1 0 304.434 3.284 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)C(C)(C)C[NH+](C)C ZINC000119647543 284147704 /nfs/dbraw/zinc/14/77/04/284147704.db2.gz NOTWFSJWVFTXBV-LPHOPBHVSA-N 1 0 321.509 3.495 10 0 DGAERO CSCC[C@H](C)[N@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000093193642 193213553 /nfs/dbraw/zinc/21/35/53/193213553.db2.gz HCHXKFYWSLEQLH-VIFPVBQESA-N 1 0 324.519 3.464 10 0 DGAERO CC[C@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181275922 432120463 /nfs/dbraw/zinc/12/04/63/432120463.db2.gz ZUZDOWYLHDGQSJ-VIFPVBQESA-N 1 0 309.211 3.122 10 0 DGAERO COCCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438007 193251268 /nfs/dbraw/zinc/25/12/68/193251268.db2.gz RJWSLXYPOCMXOM-GOSISDBHSA-N 1 0 315.417 3.162 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC(F)F)cc2)CCN1C ZINC000093643968 193280441 /nfs/dbraw/zinc/28/04/41/193280441.db2.gz KGKCIACNKZLUGA-ZFWWWQNUSA-N 1 0 312.404 3.245 10 0 DGAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000262717111 203392256 /nfs/dbraw/zinc/39/22/56/203392256.db2.gz WGKLJMNRNMKCDA-WDMOLILDSA-N 1 0 316.367 3.441 10 0 DGAERO CCN(CC)c1ncc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000093638572 193277915 /nfs/dbraw/zinc/27/79/15/193277915.db2.gz GJWOZOAYTPZMOC-ZBFHGGJFSA-N 1 0 324.538 3.151 10 0 DGAERO COCCCOc1cccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000093645072 193280773 /nfs/dbraw/zinc/28/07/73/193280773.db2.gz SBYXPBFAMKTUII-FUHWJXTLSA-N 1 0 320.477 3.016 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CCN1C ZINC000093644844 193281071 /nfs/dbraw/zinc/28/10/71/193281071.db2.gz UJXBHJVSEROJBL-GXTWGEPZSA-N 1 0 316.367 3.500 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC(F)F)cc2)CCN1C ZINC000093643965 193282664 /nfs/dbraw/zinc/28/26/64/193282664.db2.gz KGKCIACNKZLUGA-UKRRQHHQSA-N 1 0 312.404 3.245 10 0 DGAERO c1csc(Cn2cccc2C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000093819980 193314057 /nfs/dbraw/zinc/31/40/57/193314057.db2.gz CBYLILREAVMOBV-KRWDZBQOSA-N 1 0 302.443 3.210 10 0 DGAERO c1ncc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)s1 ZINC000093842943 193316538 /nfs/dbraw/zinc/31/65/38/193316538.db2.gz DCAWTVVYYLPONV-MRXNPFEDSA-N 1 0 302.443 3.367 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+](C)Cc3cccc(N(C)C)c3)cnc2n1 ZINC000093845686 193317409 /nfs/dbraw/zinc/31/74/09/193317409.db2.gz CWMUHOOHPZCEBI-UHFFFAOYSA-N 1 0 323.444 3.044 10 0 DGAERO CC[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246342444 432121231 /nfs/dbraw/zinc/12/12/31/432121231.db2.gz CBPJLVQLSSDAAK-WMZOPIPTSA-N 1 0 315.461 3.060 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(-n2cccn2)c(Cl)c1)[NH+](C)C ZINC000094099068 193345020 /nfs/dbraw/zinc/34/50/20/193345020.db2.gz VIHJGQAWOABXRI-HNNXBMFYSA-N 1 0 320.824 3.195 10 0 DGAERO CSCCCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000094122137 193346829 /nfs/dbraw/zinc/34/68/29/193346829.db2.gz WFKPTUJPENFKKC-UHFFFAOYSA-N 1 0 306.475 3.407 10 0 DGAERO COc1cccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000094368190 193367029 /nfs/dbraw/zinc/36/70/29/193367029.db2.gz GJXBNYLFKBFSQP-OAHLLOKOSA-N 1 0 307.459 3.230 10 0 DGAERO CCOc1nc2ccccc2nc1OCCCC1CC[NH2+]CC1 ZINC000095069746 193415120 /nfs/dbraw/zinc/41/51/20/193415120.db2.gz VGVDWAMZTBDEEF-UHFFFAOYSA-N 1 0 315.417 3.187 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000246342201 432121605 /nfs/dbraw/zinc/12/16/05/432121605.db2.gz GXQIMXMGXXFWLR-FNHZYXHNSA-N 1 0 319.412 3.117 10 0 DGAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000487278241 245042231 /nfs/dbraw/zinc/04/22/31/245042231.db2.gz ZUNSPBFPDXOHHF-GFCCVEGCSA-N 1 0 320.234 3.002 10 0 DGAERO CCOc1c(Cl)cccc1C[NH2+]CCN1CC=C(C)CC1 ZINC000487552489 245074250 /nfs/dbraw/zinc/07/42/50/245074250.db2.gz AMAOIECDCVMRTL-UHFFFAOYSA-N 1 0 308.853 3.480 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000122867989 284227262 /nfs/dbraw/zinc/22/72/62/284227262.db2.gz DWJWIAVNUUWQHK-HNNXBMFYSA-N 1 0 313.401 3.011 10 0 DGAERO Cc1nn(C)cc1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000123605655 284242019 /nfs/dbraw/zinc/24/20/19/284242019.db2.gz BOJFVVZUKYSXRY-JTQLQIEISA-N 1 0 308.223 3.342 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246355830 432123071 /nfs/dbraw/zinc/12/30/71/432123071.db2.gz IBJUYQYWSUKNBR-DOMZBBRYSA-N 1 0 309.841 3.499 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000124208347 284254764 /nfs/dbraw/zinc/25/47/64/284254764.db2.gz SSWRJXKRJRGMJX-OAHLLOKOSA-N 1 0 323.506 3.318 10 0 DGAERO COC[C@H](C)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000124332437 284257162 /nfs/dbraw/zinc/25/71/62/284257162.db2.gz BBYRNGKQBJJVRY-LMMKCTJWSA-N 1 0 304.478 3.254 10 0 DGAERO CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H](O)C(F)(F)F ZINC000490130966 245382256 /nfs/dbraw/zinc/38/22/56/245382256.db2.gz RDECMZAGXQUUOD-OLZOCXBDSA-N 1 0 307.381 3.316 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000125298523 284273257 /nfs/dbraw/zinc/27/32/57/284273257.db2.gz MPGICBCFFWAXOM-UHFFFAOYSA-N 1 0 323.506 3.318 10 0 DGAERO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000125308300 284273302 /nfs/dbraw/zinc/27/33/02/284273302.db2.gz YVRHQHDAWUWDLS-HNNXBMFYSA-N 1 0 312.413 3.202 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(C(C)(C)C)cc1 ZINC000125536049 284278305 /nfs/dbraw/zinc/27/83/05/284278305.db2.gz QFGHNTRBPMJKIM-BEFAXECRSA-N 1 0 305.462 3.424 10 0 DGAERO CCC[C@H](C(=O)N(C)Cc1cccc(OC(C)C)c1)[NH+](C)C ZINC000126308061 284300236 /nfs/dbraw/zinc/30/02/36/284300236.db2.gz HAPOUALENYNDQA-QGZVFWFLSA-N 1 0 306.450 3.163 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2ccccc2)n1 ZINC000246385903 432125795 /nfs/dbraw/zinc/12/57/95/432125795.db2.gz KEZAMRTYDHALMV-MSOLQXFVSA-N 1 0 311.429 3.400 10 0 DGAERO COc1cc(C[N@H+](C)Cc2cccc(F)c2)cc2c1OCCO2 ZINC000127286991 284333419 /nfs/dbraw/zinc/33/34/19/284333419.db2.gz DPESLGINAMEGDS-UHFFFAOYSA-N 1 0 317.360 3.238 10 0 DGAERO O=C(NCC[NH2+]C1CCCCCC1)c1cc2c(s1)CCC2 ZINC000127479818 284341525 /nfs/dbraw/zinc/34/15/25/284341525.db2.gz VUACNPANLMVIQQ-UHFFFAOYSA-N 1 0 306.475 3.279 10 0 DGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000171378237 432127329 /nfs/dbraw/zinc/12/73/29/432127329.db2.gz MWYFPVVYYYFMLU-CMPLNLGQSA-N 1 0 319.371 3.338 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000127606473 284345674 /nfs/dbraw/zinc/34/56/74/284345674.db2.gz KIPZDUGGFCTWAR-ZWNOBZJWSA-N 1 0 318.642 3.353 10 0 DGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000171378249 432127745 /nfs/dbraw/zinc/12/77/45/432127745.db2.gz MWYFPVVYYYFMLU-ZYHUDNBSSA-N 1 0 319.371 3.338 10 0 DGAERO CCc1cc(C(=O)NCCC2CC[NH+](CC)CC2)oc1CC ZINC000127765658 284350752 /nfs/dbraw/zinc/35/07/52/284350752.db2.gz FBSCCMBDUFDWMS-UHFFFAOYSA-N 1 0 306.450 3.256 10 0 DGAERO CCc1cc(C)c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000127864940 284355117 /nfs/dbraw/zinc/35/51/17/284355117.db2.gz IIBHFTVLWLDYGS-HNNXBMFYSA-N 1 0 304.434 3.098 10 0 DGAERO CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000246420804 432127986 /nfs/dbraw/zinc/12/79/86/432127986.db2.gz LTZWUFAFAVUDCA-YVSFHVDLSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000246415817 432128623 /nfs/dbraw/zinc/12/86/23/432128623.db2.gz VFNBQMFITUBXMM-JLSDUUJJSA-N 1 0 315.461 3.046 10 0 DGAERO CCC[C@@H](C(=O)Nc1cc(-c2ccc(C)s2)[nH]n1)[NH+](C)C ZINC000128165205 284365440 /nfs/dbraw/zinc/36/54/40/284365440.db2.gz KTDTWBNSFGYCSO-LBPRGKRZSA-N 1 0 306.435 3.115 10 0 DGAERO Cc1nccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000266409188 205326024 /nfs/dbraw/zinc/32/60/24/205326024.db2.gz QKAAQHCGJKAIJU-AYHJJNSGSA-N 1 0 308.429 3.393 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246421113 432129464 /nfs/dbraw/zinc/12/94/64/432129464.db2.gz SEDWEFBNCRNUDW-YQQAZPJKSA-N 1 0 318.461 3.419 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCc1ccncc1 ZINC000181445316 432129767 /nfs/dbraw/zinc/12/97/67/432129767.db2.gz JEMRSVVXHNTBSR-AWEZNQCLSA-N 1 0 308.385 3.367 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000190187644 432130216 /nfs/dbraw/zinc/13/02/16/432130216.db2.gz BHDKASOODHDUND-UONOGXRCSA-N 1 0 321.465 3.032 10 0 DGAERO [NH3+][C@@H](CC(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000019423404 182122729 /nfs/dbraw/zinc/12/27/29/182122729.db2.gz AXWHTQNEZPQYTC-AWEZNQCLSA-N 1 0 319.202 3.478 10 0 DGAERO CCCn1ccc2cc(NC(=O)N3CC[C@H]([NH+](C)C)C3)ccc21 ZINC000171404949 432130578 /nfs/dbraw/zinc/13/05/78/432130578.db2.gz QIMLPPQHTFKSMG-INIZCTEOSA-N 1 0 314.433 3.219 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c(C)nn1C ZINC000019654490 182134065 /nfs/dbraw/zinc/13/40/65/182134065.db2.gz YYTCEROIFRODTM-INIZCTEOSA-N 1 0 315.417 3.083 10 0 DGAERO C[C@@H]1SCC[N@H+](C[C@@H](O)COC(C)(C)C)[C@H]1c1ccccc1 ZINC000246433592 432131076 /nfs/dbraw/zinc/13/10/76/432131076.db2.gz TZCKSLHRJNXOIG-USXIJHARSA-N 1 0 323.502 3.341 10 0 DGAERO C[N@H+](Cc1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000019838488 182155840 /nfs/dbraw/zinc/15/58/40/182155840.db2.gz YOAIPFQAIMMPBG-SFHVURJKSA-N 1 0 313.420 3.317 10 0 DGAERO [NH3+][C@@H](c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000019841774 182156072 /nfs/dbraw/zinc/15/60/72/182156072.db2.gz MGDFRTQNXRKDID-HNNXBMFYSA-N 1 0 320.186 3.268 10 0 DGAERO C[C@H]([NH2+]CCCc1ccccn1)c1ccc([S@](C)=O)cc1 ZINC000181496576 432131426 /nfs/dbraw/zinc/13/14/26/432131426.db2.gz IMTQPLQFYKMEBQ-QKKBWIMNSA-N 1 0 302.443 3.102 10 0 DGAERO CC(C)CCOc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)cc1 ZINC000129472989 284411604 /nfs/dbraw/zinc/41/16/04/284411604.db2.gz SHIUOZYGCUQJFQ-QVKFZJNVSA-N 1 0 311.491 3.358 10 0 DGAERO CC(C)c1ccc(-c2csc(CN3CC[NH2+]CC3)n2)cc1 ZINC000020221725 182198786 /nfs/dbraw/zinc/19/87/86/182198786.db2.gz ZBMGYFCOZFAYJH-UHFFFAOYSA-N 1 0 301.459 3.339 10 0 DGAERO COc1ccc([C@@H](C[NH3+])N(C)Cc2ccc(Cl)cc2)cc1 ZINC000020225864 182198905 /nfs/dbraw/zinc/19/89/05/182198905.db2.gz OVWHMZFTJFZZQN-QGZVFWFLSA-N 1 0 304.821 3.480 10 0 DGAERO CCN(Cc1ccccc1)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000020226473 182198949 /nfs/dbraw/zinc/19/89/49/182198949.db2.gz CODRHJNUBVWJDN-GOSISDBHSA-N 1 0 314.429 3.226 10 0 DGAERO Cc1sc2nc(C)nc(NCC[NH3+])c2c1-c1ccc(F)cc1 ZINC000020326171 182208065 /nfs/dbraw/zinc/20/80/65/182208065.db2.gz PEBWBGBRYNOJJA-UHFFFAOYSA-N 1 0 316.405 3.485 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C2(c3ccccc3)CCC2)CC1 ZINC000129988503 284428762 /nfs/dbraw/zinc/42/87/62/284428762.db2.gz CCQUPCFRSFKWSR-UHFFFAOYSA-N 1 0 314.473 3.345 10 0 DGAERO CCSc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000171433336 432133045 /nfs/dbraw/zinc/13/30/45/432133045.db2.gz BHEGCZDNWUIHCJ-HIFRSBDPSA-N 1 0 321.490 3.253 10 0 DGAERO C[C@@H](OC1CCCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130241860 284437029 /nfs/dbraw/zinc/43/70/29/284437029.db2.gz URKWXCXFDJXYOZ-KLAILNCOSA-N 1 0 324.509 3.351 10 0 DGAERO CCCOc1ccc(C[NH2+][C@H](CC)CO)cc1Br ZINC000020925886 182254216 /nfs/dbraw/zinc/25/42/16/182254216.db2.gz SXNVYAJNBOWCQB-GFCCVEGCSA-N 1 0 316.239 3.098 10 0 DGAERO CCCOc1ccc(C[NH2+]CCCOC)cc1Br ZINC000020926149 182254295 /nfs/dbraw/zinc/25/42/95/182254295.db2.gz IAEMFZKUBPFRNJ-UHFFFAOYSA-N 1 0 316.239 3.364 10 0 DGAERO COCC[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000020874008 182250858 /nfs/dbraw/zinc/25/08/58/182250858.db2.gz LSIBGAAWFKRYKH-UHFFFAOYSA-N 1 0 315.413 3.319 10 0 DGAERO [NH3+]C[C@@H](c1cc(Br)ccc1F)N1CCCCC1 ZINC000022217844 182313242 /nfs/dbraw/zinc/31/32/42/182313242.db2.gz DCTNDCQIISSSPU-ZDUSSCGKSA-N 1 0 301.203 3.074 10 0 DGAERO CCC[C@@H](C(=O)NCC1(c2ccccc2Cl)CC1)[NH+](C)C ZINC000135232832 284467202 /nfs/dbraw/zinc/46/72/02/284467202.db2.gz MOGLHACCWGXMHT-HNNXBMFYSA-N 1 0 308.853 3.218 10 0 DGAERO C[C@@H]([NH2+]C1CC(F)(F)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495905155 246325976 /nfs/dbraw/zinc/32/59/76/246325976.db2.gz LNKGLCVLLNTRHN-NEPJUHHUSA-N 1 0 318.408 3.409 10 0 DGAERO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@H](C)CS(C)(=O)=O)cc1 ZINC000246475421 432135758 /nfs/dbraw/zinc/13/57/58/432135758.db2.gz HAHPTDUYTRXQQT-JZXOWHBKSA-N 1 0 323.502 3.449 10 0 DGAERO CCCCNc1ccccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000135807619 284489423 /nfs/dbraw/zinc/48/94/23/284489423.db2.gz HNAFNQIWBWZQBY-UHFFFAOYSA-N 1 0 303.450 3.065 10 0 DGAERO CC(C)(C)OC(=O)CCCCN1CCC([NH+]2CCCC2)CC1 ZINC000181558952 432136364 /nfs/dbraw/zinc/13/63/64/432136364.db2.gz AJBUBKBDZXOATE-UHFFFAOYSA-N 1 0 310.482 3.059 10 0 DGAERO CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000246482327 432136479 /nfs/dbraw/zinc/13/64/79/432136479.db2.gz OQUHPQIKCJAKOR-INMHGKMJSA-N 1 0 318.461 3.416 10 0 DGAERO Cc1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc1C(F)(F)F ZINC000136151058 284495672 /nfs/dbraw/zinc/49/56/72/284495672.db2.gz SMZWXGNBFQUAPW-AWEZNQCLSA-N 1 0 300.324 3.485 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000246490418 432136868 /nfs/dbraw/zinc/13/68/68/432136868.db2.gz RTFXLVRMZWSTOH-BQFCYCMXSA-N 1 0 317.477 3.428 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sccc1SC ZINC000246475763 432137033 /nfs/dbraw/zinc/13/70/33/432137033.db2.gz BNQUXRNLCGGLEO-NEPJUHHUSA-N 1 0 310.488 3.169 10 0 DGAERO Cc1ccc(NC(=O)Nc2c[nH]nc2-c2ccccn2)c(C)n1 ZINC000181623428 432138907 /nfs/dbraw/zinc/13/89/07/432138907.db2.gz MAUDWZSYTLAVHN-UHFFFAOYSA-N 1 0 308.345 3.128 10 0 DGAERO Cc1ccc2oc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)cc2n1 ZINC000171525323 432140272 /nfs/dbraw/zinc/14/02/72/432140272.db2.gz MOSLNTMHPNLWFM-MRXNPFEDSA-N 1 0 323.396 3.169 10 0 DGAERO CCC[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246508876 432140329 /nfs/dbraw/zinc/14/03/29/432140329.db2.gz JRSHVHMQLYKMEU-UONOGXRCSA-N 1 0 320.399 3.299 10 0 DGAERO Clc1ccccc1CCC[NH+]1CCC(n2cncn2)CC1 ZINC000181650681 432141463 /nfs/dbraw/zinc/14/14/63/432141463.db2.gz AFMQOLGHXXASIL-UHFFFAOYSA-N 1 0 304.825 3.201 10 0 DGAERO CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246578198 432145446 /nfs/dbraw/zinc/14/54/46/432145446.db2.gz WALYQBHXOBFQCK-VHSSKADRSA-N 1 0 324.415 3.068 10 0 DGAERO CCOc1c(F)cccc1C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246568924 432146260 /nfs/dbraw/zinc/14/62/60/432146260.db2.gz MXPXSDIQTPRCDT-BBRMVZONSA-N 1 0 322.424 3.027 10 0 DGAERO CCN(CC)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246595720 432147079 /nfs/dbraw/zinc/14/70/79/432147079.db2.gz VNNWTHKDQQCBMX-RDJZCZTQSA-N 1 0 303.450 3.091 10 0 DGAERO c1cnnc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H](C4CC4)C3)C2)c1 ZINC000246591570 432147316 /nfs/dbraw/zinc/14/73/16/432147316.db2.gz ZJUBGLMHMLCTDH-ULQDDVLXSA-N 1 0 300.450 3.004 10 0 DGAERO [NH3+]CCCC(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000037767360 182924946 /nfs/dbraw/zinc/92/49/46/182924946.db2.gz NXDWGADNBCLRRB-UHFFFAOYSA-N 1 0 313.131 3.272 10 0 DGAERO CCCN(C(=O)CC[NH3+])[C@@H](C)c1ccccc1Br ZINC000037814916 182928202 /nfs/dbraw/zinc/92/82/02/182928202.db2.gz XQSDQKVUALSCQF-NSHDSACASA-N 1 0 313.239 3.098 10 0 DGAERO O[C@@H](C[NH2+]CC[C@H]1CCCO1)c1cc(Cl)ccc1Cl ZINC000038096782 182989481 /nfs/dbraw/zinc/98/94/81/182989481.db2.gz MICYKMRAVPFEEW-RISCZKNCSA-N 1 0 304.217 3.186 10 0 DGAERO Cc1ccc2c(c1)[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)[C@H](C)C2 ZINC000181899602 432148937 /nfs/dbraw/zinc/14/89/37/432148937.db2.gz PDWLIENMTFRCOT-CRAIPNDOSA-N 1 0 317.477 3.210 10 0 DGAERO CC(C)([NH3+])COC(=O)c1ccccc1-c1cccc2c1NCC2 ZINC000039157234 183014809 /nfs/dbraw/zinc/01/48/09/183014809.db2.gz ZZTGTJLVFSIJDR-UHFFFAOYSA-N 1 0 310.397 3.216 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000040502356 183084331 /nfs/dbraw/zinc/08/43/31/183084331.db2.gz QGWHPBXLMMXNNE-GFCCVEGCSA-N 1 0 315.230 3.162 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000040652836 183114173 /nfs/dbraw/zinc/11/41/73/183114173.db2.gz HVFFFEHZQQTMBD-ZDUSSCGKSA-N 1 0 324.852 3.149 10 0 DGAERO CCc1ccc(Nc2nc[nH+]c(NNC(C)(C)C)c2N)cc1 ZINC000040688545 183118110 /nfs/dbraw/zinc/11/81/10/183118110.db2.gz IKXZDUIANNVMMR-UHFFFAOYSA-N 1 0 300.410 3.080 10 0 DGAERO CN(Cc1coc(-c2cccs2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747026 183129095 /nfs/dbraw/zinc/12/90/95/183129095.db2.gz BCTLWCNUPMFBTJ-ONXXMXGDSA-N 1 0 303.431 3.118 10 0 DGAERO Cc1cccc(Nc2nc[nH+]c(NNC(C)(C)C)c2N)c1C ZINC000040755192 183129282 /nfs/dbraw/zinc/12/92/82/183129282.db2.gz IGAOCGGJKAYDNR-UHFFFAOYSA-N 1 0 300.410 3.134 10 0 DGAERO C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1cccs1 ZINC000171605131 432149721 /nfs/dbraw/zinc/14/97/21/432149721.db2.gz IGIGDHGRKFXKCZ-ZFWWWQNUSA-N 1 0 302.443 3.098 10 0 DGAERO CCN(CC)CC[NH2+]CCOc1c(Cl)cccc1Cl ZINC000041532111 183199008 /nfs/dbraw/zinc/19/90/08/183199008.db2.gz BHSUCSQHMQQWJF-UHFFFAOYSA-N 1 0 305.249 3.304 10 0 DGAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000042167680 183238454 /nfs/dbraw/zinc/23/84/54/183238454.db2.gz BFFFILHSEGQBTN-MFKMUULPSA-N 1 0 300.324 3.025 10 0 DGAERO CN(Cc1ccoc1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042308267 183252328 /nfs/dbraw/zinc/25/23/28/183252328.db2.gz XXEVFCJFSNPFCK-JTQLQIEISA-N 1 0 315.236 3.235 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1Cc1ccc(F)cc1Br ZINC000042407712 183265034 /nfs/dbraw/zinc/26/50/34/183265034.db2.gz JOCDQEJMKADNOH-CYBMUJFWSA-N 1 0 315.230 3.162 10 0 DGAERO CC(C)N(CCC(N)=[NH2+])Cc1ccc(Br)cc1F ZINC000042529775 183280991 /nfs/dbraw/zinc/28/09/91/183280991.db2.gz ULDIESGGLMOIPZ-UHFFFAOYSA-N 1 0 316.218 3.125 10 0 DGAERO CCN([C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)[C@@H](C)COC ZINC000042743802 183304713 /nfs/dbraw/zinc/30/47/13/183304713.db2.gz PUXAOCCXAABKRF-HZMBPMFUSA-N 1 0 305.249 3.350 10 0 DGAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)n1cc(Br)cn1 ZINC000042947574 183320923 /nfs/dbraw/zinc/32/09/23/183320923.db2.gz AFTUSIVLRPMFML-QPUJVOFHSA-N 1 0 314.614 3.236 10 0 DGAERO CCc1nccn1[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042956212 183322620 /nfs/dbraw/zinc/32/26/20/183322620.db2.gz LMZQHLLSCMGHFI-HZMBPMFUSA-N 1 0 308.223 3.145 10 0 DGAERO [NH3+]C[C@H](OC[C@@H]1CCCCO1)c1ccc(Br)cc1 ZINC000042957414 183322694 /nfs/dbraw/zinc/32/26/94/183322694.db2.gz APTFIIAILBMJID-KBPBESRZSA-N 1 0 314.223 3.035 10 0 DGAERO [NH3+]C[C@H](c1ccc(Br)cc1)n1cnc2ccccc21 ZINC000042955903 183322795 /nfs/dbraw/zinc/32/27/95/183322795.db2.gz PGYVRSVFRNAUFY-OAHLLOKOSA-N 1 0 316.202 3.347 10 0 DGAERO CC(C)c1nccn1[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043022131 183329391 /nfs/dbraw/zinc/32/93/91/183329391.db2.gz BIXHXYQBSILLDL-ZDUSSCGKSA-N 1 0 308.223 3.317 10 0 DGAERO C[C@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000043022940 183330329 /nfs/dbraw/zinc/33/03/29/183330329.db2.gz RIXNVEHXRSYXMZ-LEWSCRJBSA-N 1 0 314.223 3.033 10 0 DGAERO CCOCCO[C@H](c1ccccc1Br)[C@H]([NH3+])CC ZINC000043094578 183336776 /nfs/dbraw/zinc/33/67/76/183336776.db2.gz GCCHGVYUZJLIDL-ZIAGYGMSSA-N 1 0 316.239 3.281 10 0 DGAERO C[C@@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1ccccc1Br ZINC000043094646 183337249 /nfs/dbraw/zinc/33/72/49/183337249.db2.gz PFRRHLSKFHQPJC-SUNKGSAMSA-N 1 0 314.223 3.033 10 0 DGAERO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cc(Br)cs1 ZINC000043687685 183381301 /nfs/dbraw/zinc/38/13/01/183381301.db2.gz CERFMAVPNZKVQP-UWVGGRQHSA-N 1 0 303.269 3.070 10 0 DGAERO CCOCc1cccc(NC(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000102540636 193894559 /nfs/dbraw/zinc/89/45/59/193894559.db2.gz UBWAOCVEWZZHIM-AWEZNQCLSA-N 1 0 307.438 3.075 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1ccccc1F ZINC000102683911 193913820 /nfs/dbraw/zinc/91/38/20/193913820.db2.gz UGGNTCIOFJRESG-AWEZNQCLSA-N 1 0 300.377 3.101 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000104383950 194004276 /nfs/dbraw/zinc/00/42/76/194004276.db2.gz CNYIYZJQLDOBSU-OAHLLOKOSA-N 1 0 321.490 3.032 10 0 DGAERO C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1cccc(Cl)c1 ZINC000105080519 194070816 /nfs/dbraw/zinc/07/08/16/194070816.db2.gz BSISFDUDXREERO-NWDGAFQWSA-N 1 0 309.841 3.183 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000105003155 194063778 /nfs/dbraw/zinc/06/37/78/194063778.db2.gz CPOGERQNOGXXTG-INIZCTEOSA-N 1 0 317.433 3.176 10 0 DGAERO COc1ccc(Cl)c(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105020402 194064979 /nfs/dbraw/zinc/06/49/79/194064979.db2.gz HNNBJUFAAHTTSD-GFCCVEGCSA-N 1 0 323.824 3.051 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC000105087097 194071905 /nfs/dbraw/zinc/07/19/05/194071905.db2.gz NPZKMJFPIDXAAY-LSDHHAIUSA-N 1 0 307.438 3.069 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000105251152 194089284 /nfs/dbraw/zinc/08/92/84/194089284.db2.gz RYGMLGMOGCWJEA-IAGOWNOFSA-N 1 0 319.424 3.012 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccco2)C2CCCC2)C1 ZINC000105174262 194081967 /nfs/dbraw/zinc/08/19/67/194081967.db2.gz SNIKMTMGSOFPHT-OAHLLOKOSA-N 1 0 319.449 3.218 10 0 DGAERO C[C@@H](c1cccc(F)c1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105807282 194134127 /nfs/dbraw/zinc/13/41/27/194134127.db2.gz PFLXLMBAMHGRBM-AWEZNQCLSA-N 1 0 314.408 3.278 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)CC2 ZINC000105873596 194152941 /nfs/dbraw/zinc/15/29/41/194152941.db2.gz AJQQLTVDVSOEOO-FZMZJTMJSA-N 1 0 304.825 3.160 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000105884904 194157289 /nfs/dbraw/zinc/15/72/89/194157289.db2.gz MWJOCBUQLBBSCM-OAHLLOKOSA-N 1 0 320.387 3.085 10 0 DGAERO CCOc1ccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1F ZINC000106290328 194193326 /nfs/dbraw/zinc/19/33/26/194193326.db2.gz WAGWBZIYTFKGGY-MJBXVCDLSA-N 1 0 322.424 3.102 10 0 DGAERO C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075121 194184640 /nfs/dbraw/zinc/18/46/40/194184640.db2.gz SEZNERBQXFVGCX-WMLDXEAASA-N 1 0 314.408 3.278 10 0 DGAERO c1ncn(C[C@@H]2CCC[N@H+](Cc3csc4ccccc34)C2)n1 ZINC000106176801 194188792 /nfs/dbraw/zinc/18/87/92/194188792.db2.gz JIQYZZIQXCTMIE-CQSZACIVSA-N 1 0 312.442 3.405 10 0 DGAERO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000106174875 194189969 /nfs/dbraw/zinc/18/99/69/194189969.db2.gz IWAMLEMYXKDJAW-QGZVFWFLSA-N 1 0 312.461 3.488 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(C)cc(C)c3)C2)n1 ZINC000106177245 194190009 /nfs/dbraw/zinc/19/00/09/194190009.db2.gz WHQOREQDZHHADO-SFHVURJKSA-N 1 0 312.461 3.424 10 0 DGAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245471962 284814857 /nfs/dbraw/zinc/81/48/57/284814857.db2.gz YMKMOSWMTHNUNT-BWTSREIZSA-N 1 0 312.457 3.335 10 0 DGAERO Cc1nn(C[C@@H](C)C[NH2+]C(C)(C)C)c(C)c1Br ZINC000052573827 183865379 /nfs/dbraw/zinc/86/53/79/183865379.db2.gz XZHWRQNZAJCHJM-VIFPVBQESA-N 1 0 302.260 3.287 10 0 DGAERO CCC1(CC)[C@H]([NH2+][C@H](C)Cc2c(C)nn(C)c2C)C[C@@H]1OC ZINC000245865248 284848541 /nfs/dbraw/zinc/84/85/41/284848541.db2.gz IKUSTFYNAALZBM-JLZZUVOBSA-N 1 0 307.482 3.151 10 0 DGAERO CC(C)C[NH2+]CCN(C)Cc1cc(Br)ccc1F ZINC000053661351 183909716 /nfs/dbraw/zinc/90/97/16/183909716.db2.gz FDOSDPMOPSTXLA-UHFFFAOYSA-N 1 0 317.246 3.266 10 0 DGAERO CC[C@H](CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C)c1ccc(OC)cc1 ZINC000245934739 284856442 /nfs/dbraw/zinc/85/64/42/284856442.db2.gz RHXCAYMDSDCALH-BZUAXINKSA-N 1 0 318.461 3.130 10 0 DGAERO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)ccc1Br ZINC000054305586 183933198 /nfs/dbraw/zinc/93/31/98/183933198.db2.gz VWENFROVTNIAFK-LLVKDONJSA-N 1 0 311.223 3.086 10 0 DGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(COC)o2)C1 ZINC000110974851 194376267 /nfs/dbraw/zinc/37/62/67/194376267.db2.gz OBVNUWUAQGWMRR-CQSZACIVSA-N 1 0 322.449 3.056 10 0 DGAERO CC(C)C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000246023308 284862360 /nfs/dbraw/zinc/86/23/60/284862360.db2.gz MFTOSTJJZOBKQS-ILXRZTDVSA-N 1 0 324.415 3.161 10 0 DGAERO [NH3+]C1CCC(OCc2ccc(F)c(Br)c2)CC1 ZINC000055143330 183966558 /nfs/dbraw/zinc/96/65/58/183966558.db2.gz BTLRGPKKAOTSJP-UHFFFAOYSA-N 1 0 302.187 3.375 10 0 DGAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000061273901 184167976 /nfs/dbraw/zinc/16/79/76/184167976.db2.gz TXWGQKHIJLWIKO-GHMZBOCLSA-N 1 0 313.239 3.014 10 0 DGAERO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605894 184177447 /nfs/dbraw/zinc/17/74/47/184177447.db2.gz ZQGCGOXJTIQOJG-UHFFFAOYSA-N 1 0 313.228 3.304 10 0 DGAERO CC[NH+](CC)CCOc1ccc(C(C)=O)cc1Br ZINC000061696073 184183324 /nfs/dbraw/zinc/18/33/24/184183324.db2.gz BLZYWQZYTPLLPT-UHFFFAOYSA-N 1 0 314.223 3.372 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000062855718 184256489 /nfs/dbraw/zinc/25/64/89/184256489.db2.gz FEXNDNPWRZOOMT-MRXNPFEDSA-N 1 0 310.825 3.455 10 0 DGAERO CC1(C)CCCN1[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000063066297 184269137 /nfs/dbraw/zinc/26/91/37/184269137.db2.gz LVVWPYFGEIMJHK-ZDUSSCGKSA-N 1 0 315.230 3.462 10 0 DGAERO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccccc1F ZINC000063452452 184282174 /nfs/dbraw/zinc/28/21/74/184282174.db2.gz UKOZWKNBRQMHGF-UHFFFAOYSA-N 1 0 302.349 3.018 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000179587745 284923081 /nfs/dbraw/zinc/92/30/81/284923081.db2.gz MDACWCLYOOTYGP-YLQAJVPDSA-N 1 0 324.852 3.017 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1Cc1nnn(-c2ccc(F)cc2)c1C ZINC000065239672 184317039 /nfs/dbraw/zinc/31/70/39/184317039.db2.gz FHTBYSRFIHKKQF-HNNXBMFYSA-N 1 0 302.397 3.479 10 0 DGAERO COc1ccccc1C[NH+]1CCC([C@H](O)c2ccccn2)CC1 ZINC000065288643 184323251 /nfs/dbraw/zinc/32/32/51/184323251.db2.gz RCRPMHOMSYPMCZ-IBGZPJMESA-N 1 0 312.413 3.036 10 0 DGAERO CC(C)Cn1cncc1C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000065374399 184331555 /nfs/dbraw/zinc/33/15/55/184331555.db2.gz CQXMLINVPUQBRN-MRXNPFEDSA-N 1 0 316.424 3.047 10 0 DGAERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000066187237 184395864 /nfs/dbraw/zinc/39/58/64/184395864.db2.gz IJWSFWPQNFSSKQ-ZIAGYGMSSA-N 1 0 307.463 3.079 10 0 DGAERO C[C@@H]1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000247203996 284949232 /nfs/dbraw/zinc/94/92/32/284949232.db2.gz BZDJHRSQUQYZOU-BPQIPLTHSA-N 1 0 302.462 3.102 10 0 DGAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000248659896 285015633 /nfs/dbraw/zinc/01/56/33/285015633.db2.gz VLXZOIUOWNDJPU-KGLIPLIRSA-N 1 0 314.495 3.184 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000248682263 285017942 /nfs/dbraw/zinc/01/79/42/285017942.db2.gz XCIURTIUDJVXCH-BBRMVZONSA-N 1 0 308.853 3.451 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@H]2CCSc3ccc(OC)cc32)C1 ZINC000248866192 285033759 /nfs/dbraw/zinc/03/37/59/285033759.db2.gz TUOIQSMVWWKFSD-CJNGLKHVSA-N 1 0 306.475 3.306 10 0 DGAERO CCCC[C@@H](COC)[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000119987293 195075025 /nfs/dbraw/zinc/07/50/25/195075025.db2.gz UDCGLYKRGYSUCY-KBPBESRZSA-N 1 0 311.857 3.109 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccs2)cc1 ZINC000120040458 195084998 /nfs/dbraw/zinc/08/49/98/195084998.db2.gz ZXKJJFNTMLWILT-CYBMUJFWSA-N 1 0 302.443 3.278 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@@H]3C(C)=CCC[C@H]3C)CC2)nn1 ZINC000249127390 285058053 /nfs/dbraw/zinc/05/80/53/285058053.db2.gz VDNRJLKPJLRJME-SJLPKXTDSA-N 1 0 314.477 3.290 10 0 DGAERO CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[C@@H](C)C[C@H]2n2cncn2)CCO1 ZINC000333227455 252943324 /nfs/dbraw/zinc/94/33/24/252943324.db2.gz NJDPKAIGTLRIIX-SFFUCWETSA-N 1 0 320.481 3.049 10 0 DGAERO CCCn1c2ccccc2nc1CN1CC[C@@H](C)[C@@H](OC)C1 ZINC000249206026 285063694 /nfs/dbraw/zinc/06/36/94/285063694.db2.gz RVZQJRHUQWMPIX-PBHICJAKSA-N 1 0 301.434 3.303 10 0 DGAERO CCCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)ccc1OC ZINC000249244747 285064638 /nfs/dbraw/zinc/06/46/38/285064638.db2.gz XAKDHURTGXBVOL-KSSFIOAISA-N 1 0 307.434 3.341 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c(F)cccc2N2CCCC2)CC[C@H]1C ZINC000249182471 285062164 /nfs/dbraw/zinc/06/21/64/285062164.db2.gz NLFIVNTXCFHNOJ-RDTXWAMCSA-N 1 0 306.425 3.283 10 0 DGAERO COC[C@H]([NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)C1CCOCC1 ZINC000249182832 285062207 /nfs/dbraw/zinc/06/22/07/285062207.db2.gz JFEUZZQZYILQSF-IHPCNDPISA-N 1 0 317.473 3.429 10 0 DGAERO C[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000120135609 195103053 /nfs/dbraw/zinc/10/30/53/195103053.db2.gz MNWNIDCBPUWRSZ-LSDHHAIUSA-N 1 0 306.475 3.329 10 0 DGAERO CCOc1ccc(Cl)c(NC(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000333260974 252945926 /nfs/dbraw/zinc/94/59/26/252945926.db2.gz IVQUCILVJLQFQB-UHFFFAOYSA-N 1 0 323.824 3.099 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000249294941 285067393 /nfs/dbraw/zinc/06/73/93/285067393.db2.gz KEMCQTSGZMAMRO-KMUNFCNLSA-N 1 0 310.235 3.451 10 0 DGAERO C[C@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000333632276 252963812 /nfs/dbraw/zinc/96/38/12/252963812.db2.gz STVCTYXZXRZOSR-XOYOTBSWSA-N 1 0 315.461 3.092 10 0 DGAERO Cc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)cs1 ZINC000336819411 253003072 /nfs/dbraw/zinc/00/30/72/253003072.db2.gz ZQOIRULTFRLPSX-SFHVURJKSA-N 1 0 316.470 3.047 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000336908194 253020575 /nfs/dbraw/zinc/02/05/75/253020575.db2.gz ZSOKQVKKIZNIOM-GFCCVEGCSA-N 1 0 302.187 3.245 10 0 DGAERO c1cc(-c2ccc(C[NH2+]CCc3cccc4[nH]ccc43)o2)n[nH]1 ZINC000337318045 253085665 /nfs/dbraw/zinc/08/56/65/253085665.db2.gz ZEFCEDSOGKRQKT-UHFFFAOYSA-N 1 0 306.369 3.483 10 0 DGAERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1C ZINC000251655540 285097252 /nfs/dbraw/zinc/09/72/52/285097252.db2.gz HTFJCNMTSKFJRM-SWLSCSKDSA-N 1 0 310.825 3.025 10 0 DGAERO CC(=O)N1CCC([NH2+]C/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000338138632 253229647 /nfs/dbraw/zinc/22/96/47/253229647.db2.gz DWLSULQLISIIME-QBFSEMIESA-N 1 0 306.837 3.344 10 0 DGAERO C[C@H](CC[NH2+][C@H]1C[C@H](C)Sc2sccc21)[S@](C)=O ZINC000252728322 285104854 /nfs/dbraw/zinc/10/48/54/285104854.db2.gz AXTNVANMRIOWDH-YKWFYXENSA-N 1 0 303.518 3.420 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H](C)C[C@H](C)O ZINC000252765222 285105444 /nfs/dbraw/zinc/10/54/44/285105444.db2.gz PKTUQEPSOPNHEM-UPJWGTAASA-N 1 0 301.377 3.358 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3ccccn3)C2)c1 ZINC000159165459 197331812 /nfs/dbraw/zinc/33/18/12/197331812.db2.gz BZUURBMQQPCBEM-CVEARBPZSA-N 1 0 311.429 3.410 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccccn3)C2)c1 ZINC000159165181 197331724 /nfs/dbraw/zinc/33/17/24/197331724.db2.gz BZUURBMQQPCBEM-HZPDHXFCSA-N 1 0 311.429 3.410 10 0 DGAERO Cc1ccc(/C=C\CC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000254943391 285113789 /nfs/dbraw/zinc/11/37/89/285113789.db2.gz LZUUZMRPFHFBEU-ARJAWSKDSA-N 1 0 300.446 3.246 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000254966242 285115800 /nfs/dbraw/zinc/11/58/00/285115800.db2.gz IIRJTEQJFIASBQ-BGYNLAARSA-N 1 0 300.446 3.339 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C/C=C\c1cccc(F)c1 ZINC000254990626 285117783 /nfs/dbraw/zinc/11/77/83/285117783.db2.gz PXLCMVGOHUTNAK-QLBOMPFWSA-N 1 0 306.425 3.322 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC/C=C\c2ccccc2)C1 ZINC000255024873 285120761 /nfs/dbraw/zinc/12/07/61/285120761.db2.gz CVZNVJNCLVZQKV-TWVNLXSWSA-N 1 0 315.461 3.119 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)CCn2cccn2)cc1OC ZINC000158705334 197295943 /nfs/dbraw/zinc/29/59/43/197295943.db2.gz KNDCXWUSHZSABZ-KGLIPLIRSA-N 1 0 303.406 3.030 10 0 DGAERO C[C@H](C[NH2+]Cc1cccnc1-n1cccn1)Cc1ccccc1 ZINC000158776636 197300940 /nfs/dbraw/zinc/30/09/40/197300940.db2.gz JLMVJZUXPFTPOV-INIZCTEOSA-N 1 0 306.413 3.236 10 0 DGAERO COc1ccccc1/C=C\CN(C)Cc1nccn1C(F)F ZINC000255068771 285126110 /nfs/dbraw/zinc/12/61/10/285126110.db2.gz PKDBPJZIFZICJG-ALCCZGGFSA-N 1 0 307.344 3.432 10 0 DGAERO Cc1ccc(C(=O)CCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000120230583 195124739 /nfs/dbraw/zinc/12/47/39/195124739.db2.gz YDOYEENJELLJKH-AWEZNQCLSA-N 1 0 324.490 3.112 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C/C=C\c1cccc(F)c1 ZINC000255131754 285133067 /nfs/dbraw/zinc/13/30/67/285133067.db2.gz UBPBANYZGVYPQI-CTEOGUNLSA-N 1 0 304.409 3.172 10 0 DGAERO COc1ccccc1/C=C\CN1CCC[C@H]1C(=O)OC(C)C ZINC000255416422 285154459 /nfs/dbraw/zinc/15/44/59/285154459.db2.gz SMVFKFZGVRNVMH-HWYHOQROSA-N 1 0 303.402 3.124 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000158135092 197246580 /nfs/dbraw/zinc/24/65/80/197246580.db2.gz WBWPGQCWPJRERD-QWHCGFSZSA-N 1 0 322.430 3.371 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000255512299 285160461 /nfs/dbraw/zinc/16/04/61/285160461.db2.gz WULCXQGNXZMKJU-YFVSVSGQSA-N 1 0 323.440 3.093 10 0 DGAERO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC3(C2)CCCCC3)C1 ZINC000465541330 296389067 /nfs/dbraw/zinc/38/90/67/296389067.db2.gz MHTASTQSNFPPPS-MRXNPFEDSA-N 1 0 307.482 3.084 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(C)=O)cc2)[C@H](C)C1 ZINC000120309850 195140211 /nfs/dbraw/zinc/14/02/11/195140211.db2.gz NMGCEBGXTSLCLP-CXAGYDPISA-N 1 0 317.433 3.083 10 0 DGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C/C=C\c2cccc(F)c2)C1 ZINC000255556252 285163665 /nfs/dbraw/zinc/16/36/65/285163665.db2.gz PRXWIVLKTGQTBE-AATOQMJSSA-N 1 0 318.436 3.323 10 0 DGAERO c1cn2c(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)c(C3CC3)nc2s1 ZINC000342914294 254073575 /nfs/dbraw/zinc/07/35/75/254073575.db2.gz OPSWVHKNRAFWCV-KBPBESRZSA-N 1 0 317.458 3.274 10 0 DGAERO C[C@](O)(C[N@@H+]1CCO[C@H](c2cccs2)C1)c1ccccc1 ZINC000157588057 197199901 /nfs/dbraw/zinc/19/99/01/197199901.db2.gz QTFYMDVDQJTMNB-RDJZCZTQSA-N 1 0 303.427 3.029 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342818764 254059215 /nfs/dbraw/zinc/05/92/15/254059215.db2.gz SGOOWQYORBPPAZ-CVEARBPZSA-N 1 0 315.442 3.349 10 0 DGAERO CC1(C)Cc2cccc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)c2O1 ZINC000342834501 254061505 /nfs/dbraw/zinc/06/15/05/254061505.db2.gz DGSACKPMLPVYEO-LJQANCHMSA-N 1 0 301.430 3.403 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+]C(C3CC3)C3CC3)C2)c1 ZINC000157494373 197191771 /nfs/dbraw/zinc/19/17/71/197191771.db2.gz GCUXFJPWMOBPJV-AWEZNQCLSA-N 1 0 300.446 3.300 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C/C=C\c1ccc(C)cc1 ZINC000255671823 285173006 /nfs/dbraw/zinc/17/30/06/285173006.db2.gz BECMNVKHFMJRST-GZUQHIBUSA-N 1 0 312.457 3.484 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C1CCC(F)(F)CC1 ZINC000157233239 197171483 /nfs/dbraw/zinc/17/14/83/197171483.db2.gz OIECQURCQKTAJI-INIZCTEOSA-N 1 0 324.415 3.101 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344717483 254299135 /nfs/dbraw/zinc/29/91/35/254299135.db2.gz AOGRLMPFAZFXOH-JKSUJKDBSA-N 1 0 322.493 3.105 10 0 DGAERO CC[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000262269452 285193943 /nfs/dbraw/zinc/19/39/43/285193943.db2.gz ICNGBIWQJMWRFI-UTUOFQBUSA-N 1 0 307.463 3.114 10 0 DGAERO CCC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000156814515 197142380 /nfs/dbraw/zinc/14/23/80/197142380.db2.gz LBSAQPSYAKKBPC-CYBMUJFWSA-N 1 0 302.340 3.052 10 0 DGAERO COCC1(C[NH2+]Cc2ccc(Br)s2)CCC1 ZINC000309311257 533140350 /nfs/dbraw/zinc/14/03/50/533140350.db2.gz XCWKIHJLPXBPML-UHFFFAOYSA-N 1 0 304.253 3.417 10 0 DGAERO CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000156766178 197139177 /nfs/dbraw/zinc/13/91/77/197139177.db2.gz YMQBCTDOFINAMF-IRXDYDNUSA-N 1 0 320.481 3.150 10 0 DGAERO C[NH+](C)C1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000120354909 195149720 /nfs/dbraw/zinc/14/97/20/195149720.db2.gz FXNFRRBLJNBJAZ-UHFFFAOYSA-N 1 0 307.488 3.398 10 0 DGAERO C[C@H](C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C)c1ccc(Cl)s1 ZINC000155502006 197060944 /nfs/dbraw/zinc/06/09/44/197060944.db2.gz SWJUIAXMFAFPBT-DCAQKATOSA-N 1 0 300.855 3.056 10 0 DGAERO Cc1c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cccc1-c1ccccn1 ZINC000155103435 197022353 /nfs/dbraw/zinc/02/23/53/197022353.db2.gz GGFYPWVOKUVNTH-GJZGRUSLSA-N 1 0 323.440 3.222 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000120370655 195153597 /nfs/dbraw/zinc/15/35/97/195153597.db2.gz BJWSVXWSSWLCIX-RHSMWYFYSA-N 1 0 319.449 3.279 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2F)[C@H](C)C1 ZINC000120385540 195156186 /nfs/dbraw/zinc/15/61/86/195156186.db2.gz RAQBXJLJGISNCB-ABAIWWIYSA-N 1 0 311.376 3.159 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)ccc2F)[C@H](C)C1 ZINC000120406189 195159940 /nfs/dbraw/zinc/15/99/40/195159940.db2.gz IAEUYIUAIJOMTM-CZUORRHYSA-N 1 0 307.413 3.328 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120501299 195179683 /nfs/dbraw/zinc/17/96/83/195179683.db2.gz ODTJLBSVVHLNKH-WFASDCNBSA-N 1 0 323.412 3.075 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2COC)[C@H](C)C1 ZINC000120508274 195180271 /nfs/dbraw/zinc/18/02/71/195180271.db2.gz CHOVMRXPVLWGMC-RHSMWYFYSA-N 1 0 319.449 3.027 10 0 DGAERO CCC(CC)(C[NH2+]Cc1ccc2ccccc2n1)C(=O)OC ZINC000120644825 195207641 /nfs/dbraw/zinc/20/76/41/195207641.db2.gz NSGHSRIXABKUNM-UHFFFAOYSA-N 1 0 300.402 3.304 10 0 DGAERO CCC[N@@H+](Cc1cccc(OCCOC)c1)C[C@H]1CCCCO1 ZINC000120734076 195227089 /nfs/dbraw/zinc/22/70/89/195227089.db2.gz HCHLDQCPFOXDKO-LJQANCHMSA-N 1 0 321.461 3.493 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(F)c1C ZINC000120777768 195236143 /nfs/dbraw/zinc/23/61/43/195236143.db2.gz HJYVLNJEROMTCY-ZIAGYGMSSA-N 1 0 305.397 3.225 10 0 DGAERO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC000120849647 195250364 /nfs/dbraw/zinc/25/03/64/195250364.db2.gz JOHGOMFYSLLDIL-KBXCAEBGSA-N 1 0 311.429 3.294 10 0 DGAERO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](c4noc(C)n4)O[C@H]3C2)s1 ZINC000248019234 257110404 /nfs/dbraw/zinc/11/04/04/257110404.db2.gz INKOXPGXYSATOI-SNPRPXQTSA-N 1 0 319.430 3.100 10 0 DGAERO Cc1noc([C@@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccc(F)cc3)O2)n1 ZINC000248006258 257112296 /nfs/dbraw/zinc/11/22/96/257112296.db2.gz HFTOFNUXXXQSAF-JYJNAYRXSA-N 1 0 317.364 3.012 10 0 DGAERO COc1ccc(C[C@@H]2C[N@@H+](Cc3ccoc3)CC[C@H]2OC)cc1 ZINC000247919149 257115349 /nfs/dbraw/zinc/11/53/49/257115349.db2.gz NREKRLKYPKSBJZ-IEBWSBKVSA-N 1 0 315.413 3.368 10 0 DGAERO c1cc(C[C@@H]2[C@H](OCC3CC3)CC[N@@H+]2Cc2ccncc2)ccn1 ZINC000247829729 257117184 /nfs/dbraw/zinc/11/71/84/257117184.db2.gz KUCGCFVHMCLMSR-WOJBJXKFSA-N 1 0 323.440 3.089 10 0 DGAERO Cc1noc([C@@H]2CC[C@H]3[C@@H](CC[N@@H+]3Cc3ccc(F)cc3)O2)n1 ZINC000503716556 257210207 /nfs/dbraw/zinc/21/02/07/257210207.db2.gz HFTOFNUXXXQSAF-XHSDSOJGSA-N 1 0 317.364 3.012 10 0 DGAERO [NH3+]Cc1nccc2cc(Br)cc(Br)c21 ZINC000521401348 257234172 /nfs/dbraw/zinc/23/41/72/257234172.db2.gz JYSIVJCMEPQMJK-UHFFFAOYSA-N 1 0 315.996 3.219 10 0 DGAERO Cc1csc2nc(C[NH2+][C@@H](C)c3ccccc3C)cc(=O)n12 ZINC000120955476 195271134 /nfs/dbraw/zinc/27/11/34/195271134.db2.gz QUVIQROMELRVFI-ZDUSSCGKSA-N 1 0 313.426 3.224 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](CC)CCc1nccs1 ZINC000121018910 195280341 /nfs/dbraw/zinc/28/03/41/195280341.db2.gz QLDXKWHGYXLICL-HUUCEWRRSA-N 1 0 323.506 3.187 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000121653064 195324053 /nfs/dbraw/zinc/32/40/53/195324053.db2.gz YUZYIZUYSOXKIN-CABCVRRESA-N 1 0 321.465 3.491 10 0 DGAERO CCCn1cc(CN2CCC[N@H+](CC(CC)CC)CC2)cn1 ZINC000121685534 195329682 /nfs/dbraw/zinc/32/96/82/195329682.db2.gz MFILHIDWVYUSDP-UHFFFAOYSA-N 1 0 306.498 3.237 10 0 DGAERO Cc1cc(C[NH+]2CCC(Cc3nccn3C)CC2)ccc1F ZINC000121777005 195346056 /nfs/dbraw/zinc/34/60/56/195346056.db2.gz JFXOVGYXIZAGIG-UHFFFAOYSA-N 1 0 301.409 3.322 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000121914412 195372992 /nfs/dbraw/zinc/37/29/92/195372992.db2.gz SFLGDROTYMZOIL-AWEZNQCLSA-N 1 0 320.387 3.085 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(C(F)F)c2)C1 ZINC000121957150 195380784 /nfs/dbraw/zinc/38/07/84/195380784.db2.gz VNZSUOXVRMCFGO-RISCZKNCSA-N 1 0 311.376 3.474 10 0 DGAERO O[C@]1(C(F)(F)F)CCC[N@H+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000312839753 285374743 /nfs/dbraw/zinc/37/47/43/285374743.db2.gz VLIDBBDDROGNTE-GHMZBOCLSA-N 1 0 301.299 3.201 10 0 DGAERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000172168381 533403284 /nfs/dbraw/zinc/40/32/84/533403284.db2.gz ASUSMLBSSSCUHJ-KBPBESRZSA-N 1 0 304.434 3.499 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(C)O)cc1Br ZINC000087818208 545807590 /nfs/dbraw/zinc/80/75/90/545807590.db2.gz LRBIHPWYWVQODD-NXEZZACHSA-N 1 0 316.239 3.268 10 0 DGAERO C[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000164382154 132160532 /nfs/dbraw/zinc/16/05/32/132160532.db2.gz WLYZITCDWYYVKZ-BDAKNGLRSA-N 1 0 301.217 3.026 10 0 DGAERO Cc1cccc(C[C@H]2C[NH2+]CC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000006780202 400095151 /nfs/dbraw/zinc/09/51/51/400095151.db2.gz ZIMRLAWJDXAWRO-JKSUJKDBSA-N 1 0 304.434 3.040 10 0 DGAERO CC1(C)[C@H]([NH3+])[C@H]1c1cc(Br)c(Br)o1 ZINC000300934431 400100264 /nfs/dbraw/zinc/10/02/64/400100264.db2.gz FUWZTFZTJRPUGH-RNFRBKRXSA-N 1 0 309.001 3.255 10 0 DGAERO CCC[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccccn1 ZINC000357835223 285888366 /nfs/dbraw/zinc/88/83/66/285888366.db2.gz OSMRCSRWCFESFJ-FUHWJXTLSA-N 1 0 302.393 3.255 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CSCCF)c2ccccc21 ZINC000595033817 400083740 /nfs/dbraw/zinc/08/37/40/400083740.db2.gz DFBKRJJLWIYDMS-SWLSCSKDSA-N 1 0 310.438 3.165 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(F)cc1Br ZINC000090940248 400084124 /nfs/dbraw/zinc/08/41/24/400084124.db2.gz SLQYTUQZULQZIZ-MWODSPESSA-N 1 0 302.187 3.416 10 0 DGAERO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000016339295 400173022 /nfs/dbraw/zinc/17/30/22/400173022.db2.gz CWORBUJUJXQILY-MRXNPFEDSA-N 1 0 304.434 3.137 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000237429684 296578109 /nfs/dbraw/zinc/57/81/09/296578109.db2.gz RQZRAHVAAAJZPN-NBCURDFTSA-N 1 0 304.478 3.097 10 0 DGAERO CCS[C@H]1CCCC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000609563257 400175504 /nfs/dbraw/zinc/17/55/04/400175504.db2.gz OHAMPOGPOJMIEV-ZDUSSCGKSA-N 1 0 307.419 3.437 10 0 DGAERO COC(=O)c1cnc(C2CCCCC2)nc1[C@@H]1CCCC[NH2+]1 ZINC000616578354 400176987 /nfs/dbraw/zinc/17/69/87/400176987.db2.gz LULBBKBNTHCXIE-AWEZNQCLSA-N 1 0 303.406 3.126 10 0 DGAERO CCOC(=O)c1ccccc1[C@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616586609 400177860 /nfs/dbraw/zinc/17/78/60/400177860.db2.gz BKEZQTDYBLJJOK-MRXNPFEDSA-N 1 0 324.424 3.164 10 0 DGAERO CCOC(=O)c1ccccc1[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616636394 400188933 /nfs/dbraw/zinc/18/89/33/400188933.db2.gz MAPODLNDARPLHR-LJQANCHMSA-N 1 0 324.424 3.010 10 0 DGAERO CCC[C@@H](C(=O)OCC)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000609635615 400184038 /nfs/dbraw/zinc/18/40/38/400184038.db2.gz BLXCFONMTYABOO-MSOLQXFVSA-N 1 0 324.509 3.306 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2ccc3cnccc3c2)cc1 ZINC000616635413 400189293 /nfs/dbraw/zinc/18/92/93/400189293.db2.gz AXEJSKUUJWPOHG-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000008248319 400121857 /nfs/dbraw/zinc/12/18/57/400121857.db2.gz WXHWBAYZHFFUBT-SNVBAGLBSA-N 1 0 308.303 3.393 10 0 DGAERO CC(C)(C)OCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000308723707 400130745 /nfs/dbraw/zinc/13/07/45/400130745.db2.gz FMGICJIVKZOAQR-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO CC1(C)CC(NC(=O)N[C@H]2C[C@H]2c2ccccc2)CC(C)(C)[NH2+]1 ZINC000067613217 400187018 /nfs/dbraw/zinc/18/70/18/400187018.db2.gz AMYHFDUMOFNFBD-HOTGVXAUSA-N 1 0 315.461 3.151 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2cccnc2)CC1 ZINC000616626576 400188165 /nfs/dbraw/zinc/18/81/65/400188165.db2.gz AFEKZPGSDKJPBD-OAHLLOKOSA-N 1 0 319.449 3.176 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2ccc3ncccc3c2)cc1 ZINC000616635535 400189590 /nfs/dbraw/zinc/18/95/90/400189590.db2.gz HAFVOZULRGRQSN-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CCN1CC[NH2+]C[C@@H]1c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC000616637797 400191347 /nfs/dbraw/zinc/19/13/47/400191347.db2.gz RJSOGXUUNICYKZ-MRXNPFEDSA-N 1 0 319.449 3.024 10 0 DGAERO CCN1CCOC[C@H]1c1ccccc1N(C)C(=O)OC(C)(C)C ZINC000616641587 400191499 /nfs/dbraw/zinc/19/14/99/400191499.db2.gz JNTVSRBIOVWZRN-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO CCN1CCOC[C@H]1c1ccccc1NC(=O)OC(C)(C)C ZINC000616641749 400191751 /nfs/dbraw/zinc/19/17/51/400191751.db2.gz OPLKRKZYHLXTRR-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO OCCc1ccccc1[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616652011 400192595 /nfs/dbraw/zinc/19/25/95/400192595.db2.gz SDSWSOFCYUQIMC-HXUWFJFHSA-N 1 0 311.425 3.185 10 0 DGAERO C[N@@H+]1CCCO[C@@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616651244 400192720 /nfs/dbraw/zinc/19/27/20/400192720.db2.gz CXAMCARQURGTML-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CC[NH2+]CCO1 ZINC000616665162 400197104 /nfs/dbraw/zinc/19/71/04/400197104.db2.gz PHLAXSYGEBJQTL-HNNXBMFYSA-N 1 0 306.406 3.109 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc2ccncc2c1 ZINC000616678871 400200256 /nfs/dbraw/zinc/20/02/56/400200256.db2.gz NVGXYKMUSZLPNT-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccc2ccccc2n1 ZINC000616679189 400200559 /nfs/dbraw/zinc/20/05/59/400200559.db2.gz DTJMFZCWAXGLRT-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO C[N@@H+]1CCO[C@H](c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000616686439 400204155 /nfs/dbraw/zinc/20/41/55/400204155.db2.gz KOEUKTDIUPROLF-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO Cc1cc(N2CC[C@H](C)[C@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000092977711 400218706 /nfs/dbraw/zinc/21/87/06/400218706.db2.gz RFCGITAQJBJAEP-MGPLVRAMSA-N 1 0 322.355 3.352 10 0 DGAERO CC[N@@H+]1CCC[C@H](Nc2nc(-c3ccccn3)nc(C)c2C)C1 ZINC000068669684 400278303 /nfs/dbraw/zinc/27/83/03/400278303.db2.gz QRADZRGDAVYSGG-HNNXBMFYSA-N 1 0 311.433 3.052 10 0 DGAERO C[C@@]1(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCS1 ZINC000392896284 400279055 /nfs/dbraw/zinc/27/90/55/400279055.db2.gz LTCIIULRKOHCCO-MSOLQXFVSA-N 1 0 304.503 3.384 10 0 DGAERO CC[N@H+](CCCCCCO)[C@@H]1CCc2cc(OC)ccc2C1 ZINC000028766349 400292632 /nfs/dbraw/zinc/29/26/32/400292632.db2.gz FOAMCKQEKSLNSA-GOSISDBHSA-N 1 0 305.462 3.427 10 0 DGAERO [NH3+][C@H]1C[C@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)C12CCC2 ZINC000404530742 400295444 /nfs/dbraw/zinc/29/54/44/400295444.db2.gz WSYVCIHFZVGAID-RYUDHWBXSA-N 1 0 314.216 3.385 10 0 DGAERO O=C(NCc1ccc2ccccc2c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105270800 400321248 /nfs/dbraw/zinc/32/12/48/400321248.db2.gz VRQGRZXBHLMFHX-IBGZPJMESA-N 1 0 323.440 3.220 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1c(C)noc1C)c1ccccc1 ZINC000611405406 400394353 /nfs/dbraw/zinc/39/43/53/400394353.db2.gz MLIVQWXLGGBIRD-MRXNPFEDSA-N 1 0 316.401 3.322 10 0 DGAERO OCC(CO)[NH2+]Cc1ccc2ccc3cccc4ccc1c2c34 ZINC000034361464 400385650 /nfs/dbraw/zinc/38/56/50/400385650.db2.gz QTKVRTKMWOGKPN-UHFFFAOYSA-N 1 0 305.377 3.027 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000611404854 400394655 /nfs/dbraw/zinc/39/46/55/400394655.db2.gz UFHPRWYWCJLSPL-HZPDHXFCSA-N 1 0 305.418 3.086 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)C(C)(C)C ZINC000114474771 400387339 /nfs/dbraw/zinc/38/73/39/400387339.db2.gz ZXKWUTJMWXDESU-LLVKDONJSA-N 1 0 320.355 3.195 10 0 DGAERO C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)C(C)(C)C ZINC000114475158 400387471 /nfs/dbraw/zinc/38/74/71/400387471.db2.gz HDKAPXCSIJIMQD-CYBMUJFWSA-N 1 0 302.418 3.087 10 0 DGAERO Cc1cc(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c(C)[nH]1 ZINC000601964016 400389196 /nfs/dbraw/zinc/38/91/96/400389196.db2.gz ZWZGGWCUZFDKJB-UHFFFAOYSA-N 1 0 311.429 3.373 10 0 DGAERO C[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000070869998 400359098 /nfs/dbraw/zinc/35/90/98/400359098.db2.gz ISWADWMSNAWGED-HOCLYGCPSA-N 1 0 317.454 3.245 10 0 DGAERO CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000070892580 400360470 /nfs/dbraw/zinc/36/04/70/400360470.db2.gz RNXRTDFCPBKLFJ-JZXOWHBKSA-N 1 0 318.461 3.095 10 0 DGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)C(C)(C)C ZINC000112461320 400373159 /nfs/dbraw/zinc/37/31/59/400373159.db2.gz FNTGKKAXHNSBNU-CQSZACIVSA-N 1 0 323.456 3.334 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N3CCCC[C@@H]3C[NH+](C)C)cc21 ZINC000116750596 400412863 /nfs/dbraw/zinc/41/28/63/400412863.db2.gz GROXZKAPJASWGJ-CQSZACIVSA-N 1 0 317.408 3.172 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(CC[NH+](C)C)CC(C)C)cc21 ZINC000116752505 400413161 /nfs/dbraw/zinc/41/31/61/400413161.db2.gz YYHKHIGGFZJAMC-UHFFFAOYSA-N 1 0 319.424 3.275 10 0 DGAERO OCC1(Nc2ccccc2)CC[NH+](CCc2ccccc2)CC1 ZINC000039204055 400397454 /nfs/dbraw/zinc/39/74/54/400397454.db2.gz VVJWPSNDGLSAMC-UHFFFAOYSA-N 1 0 310.441 3.168 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccccc1)c1ccccc1 ZINC000040615129 400401709 /nfs/dbraw/zinc/40/17/09/400401709.db2.gz XLCXFZAUVZSADJ-IBGZPJMESA-N 1 0 310.441 3.428 10 0 DGAERO CCOc1ccccc1CCC(=O)NCCC[NH+]1CCCCC1 ZINC000072782059 400403311 /nfs/dbraw/zinc/40/33/11/400403311.db2.gz DWJZMJPKFMJQJZ-UHFFFAOYSA-N 1 0 318.461 3.010 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000041308037 400405452 /nfs/dbraw/zinc/40/54/52/400405452.db2.gz TWFPRXUYXNQARA-APWZRJJASA-N 1 0 310.441 3.284 10 0 DGAERO COc1ccc(CCCC[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000116597866 400412138 /nfs/dbraw/zinc/41/21/38/400412138.db2.gz HWWUVIXKADYUCL-UHFFFAOYSA-N 1 0 322.449 3.132 10 0 DGAERO COc1cccc(CCC[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000119291677 400435710 /nfs/dbraw/zinc/43/57/10/400435710.db2.gz HGMOMNZTRQIJLU-GOSISDBHSA-N 1 0 313.445 3.470 10 0 DGAERO CCC[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590844929 400446338 /nfs/dbraw/zinc/44/63/38/400446338.db2.gz JILLXTRVMADKLG-IRXDYDNUSA-N 1 0 309.498 3.473 10 0 DGAERO C[N@H+](CCNC(=O)c1c[nH]c2cc(Cl)ccc12)C1CCCC1 ZINC000591321672 400510252 /nfs/dbraw/zinc/51/02/52/400510252.db2.gz FRQNNNAYQUCBIH-UHFFFAOYSA-N 1 0 319.836 3.426 10 0 DGAERO O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000133594825 400570777 /nfs/dbraw/zinc/57/07/77/400570777.db2.gz HWQQOGXLLJJKTI-LLVKDONJSA-N 1 0 321.833 3.402 10 0 DGAERO CC[NH2+][C@H]1CCCc2sc(I)cc21 ZINC000132225776 400557402 /nfs/dbraw/zinc/55/74/02/400557402.db2.gz GYAWFVFTHFLPCK-QMMMGPOBSA-N 1 0 307.200 3.340 10 0 DGAERO Fc1ccc(-c2nc(-c3ncccn3)c(C3CC[NH2+]CC3)o2)cc1 ZINC000142698931 400630994 /nfs/dbraw/zinc/63/09/94/400630994.db2.gz NWFWGXWQYVJFRC-UHFFFAOYSA-N 1 0 324.359 3.405 10 0 DGAERO CCOC(=O)c1ncc(C[NH2+][C@H]2CCC[C@@H]2SCC)s1 ZINC000602829467 400585039 /nfs/dbraw/zinc/58/50/39/400585039.db2.gz IYSPNYDGNLDNSB-RYUDHWBXSA-N 1 0 314.476 3.084 10 0 DGAERO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](C)C(C)(C)C)nc2c1 ZINC000137397680 400594948 /nfs/dbraw/zinc/59/49/48/400594948.db2.gz AELJNCMAEJZAPB-LLVKDONJSA-N 1 0 324.446 3.146 10 0 DGAERO C[C@H]1Cc2ccccc2N1C1CC[NH+](CC2CCOCC2)CC1 ZINC000602869615 400595649 /nfs/dbraw/zinc/59/56/49/400595649.db2.gz RPLUEESMILOIKV-INIZCTEOSA-N 1 0 314.473 3.329 10 0 DGAERO C[C@H]([NH3+])[C@H](Cc1ccc(Cl)cc1)n1nnc2ccccc21 ZINC000138231165 400597816 /nfs/dbraw/zinc/59/78/16/400597816.db2.gz MCIJMQJTTHRCQC-ZBEGNZNMSA-N 1 0 300.793 3.216 10 0 DGAERO c1cn([C@@H]2CCC[N@@H+](CCSCc3ccccc3)CC2)nn1 ZINC000602892405 400598849 /nfs/dbraw/zinc/59/88/49/400598849.db2.gz PCMGDQQAVYINOT-QGZVFWFLSA-N 1 0 316.474 3.239 10 0 DGAERO c1cnn(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)c1 ZINC000358015863 285945588 /nfs/dbraw/zinc/94/55/88/285945588.db2.gz FXXSJGFTFZOPTJ-GOSISDBHSA-N 1 0 311.429 3.265 10 0 DGAERO CCc1sc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1C ZINC000076488972 400657792 /nfs/dbraw/zinc/65/77/92/400657792.db2.gz HLDDNZSHHZLQHQ-KBPBESRZSA-N 1 0 308.491 3.421 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Cl)ccc2N(C)C)C1 ZINC000151385579 400672320 /nfs/dbraw/zinc/67/23/20/400672320.db2.gz DJRBDGWEUYMKPC-ZDUSSCGKSA-N 1 0 324.856 3.012 10 0 DGAERO Cc1nc(Cl)cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000076691219 400667842 /nfs/dbraw/zinc/66/78/42/400667842.db2.gz MAMKWBNZHXKFPO-ZDUSSCGKSA-N 1 0 316.836 3.149 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2c3ccccc3CCC2(C)C)C1 ZINC000153000924 400684841 /nfs/dbraw/zinc/68/48/41/400684841.db2.gz DFUBLMCWZJTAFN-WBVHZDCISA-N 1 0 315.461 3.046 10 0 DGAERO Cc1cccc(-c2noc(CN3CCO[C@@H]4CCCC[C@H]43)n2)c1 ZINC000613450786 400723467 /nfs/dbraw/zinc/72/34/67/400723467.db2.gz ITVJJNCFEINLBX-HZPDHXFCSA-N 1 0 313.401 3.188 10 0 DGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(Br)c(Br)o1 ZINC000052274987 400726043 /nfs/dbraw/zinc/72/60/43/400726043.db2.gz PYTZKIKQYQPJFO-XNCJUZBTSA-N 1 0 309.001 3.303 10 0 DGAERO Fc1ccc(C(c2ccc(F)c(F)c2)N2CC[NH2+]CC2)cc1F ZINC000165892380 400754317 /nfs/dbraw/zinc/75/43/17/400754317.db2.gz KPESXUODSIHMNJ-UHFFFAOYSA-N 1 0 324.321 3.238 10 0 DGAERO CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)c1nccs1 ZINC000159121329 400728577 /nfs/dbraw/zinc/72/85/77/400728577.db2.gz VVBWERQSVBKKSB-KBPBESRZSA-N 1 0 324.494 3.014 10 0 DGAERO Cc1cc(N[C@H]2CCCN(c3ncccn3)C2)c2ccccc2[nH+]1 ZINC000052427020 400729801 /nfs/dbraw/zinc/72/98/01/400729801.db2.gz HJAIZEUTJSJIBW-HNNXBMFYSA-N 1 0 319.412 3.414 10 0 DGAERO CC(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000161991938 400743084 /nfs/dbraw/zinc/74/30/84/400743084.db2.gz KCOZVAQOPPAULU-MSOLQXFVSA-N 1 0 306.494 3.439 10 0 DGAERO CS[C@H](C)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000162708782 400745452 /nfs/dbraw/zinc/74/54/52/400745452.db2.gz BBFJLQFAXGMSBC-ZJUUUORDSA-N 1 0 324.273 3.074 10 0 DGAERO CC1(C)C[C@H]1NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604180597 400752528 /nfs/dbraw/zinc/75/25/28/400752528.db2.gz LJELDEZQACJVFV-DLBZAZTESA-N 1 0 315.461 3.311 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000155143267 400700185 /nfs/dbraw/zinc/70/01/85/400700185.db2.gz SYRVFPPZVYXWGN-SCLBCKFNSA-N 1 0 310.397 3.220 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000156280253 400709767 /nfs/dbraw/zinc/70/97/67/400709767.db2.gz KAMHBVOIGRJKMM-STQMWFEESA-N 1 0 311.495 3.017 10 0 DGAERO CC(C)(C)NC(=O)CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000358111059 285973487 /nfs/dbraw/zinc/97/34/87/285973487.db2.gz NTMDVAVFMJUWQJ-DOTOQJQBSA-N 1 0 318.461 3.049 10 0 DGAERO C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(C)(C)C ZINC000171939277 400810444 /nfs/dbraw/zinc/81/04/44/400810444.db2.gz CPTDQFXFZHKHRG-CQSZACIVSA-N 1 0 309.498 3.375 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000054307873 400817579 /nfs/dbraw/zinc/81/75/79/400817579.db2.gz PTWCYEAIULMOSS-AWEZNQCLSA-N 1 0 306.837 3.221 10 0 DGAERO CN(CC1CC1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604206909 400756406 /nfs/dbraw/zinc/75/64/06/400756406.db2.gz XGCKAUQPIMRXLO-SFHVURJKSA-N 1 0 315.461 3.265 10 0 DGAERO C[NH+](C)[C@@H]1Cc2cccc3c2[C@H](CN3C(=O)c2ccccc2)C1 ZINC000167486512 400756988 /nfs/dbraw/zinc/75/69/88/400756988.db2.gz CEWGNNJWNATFNT-DLBZAZTESA-N 1 0 306.409 3.307 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000170832202 400776294 /nfs/dbraw/zinc/77/62/94/400776294.db2.gz MCLVDDPNLGCEFJ-MSOLQXFVSA-N 1 0 315.461 3.263 10 0 DGAERO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)C12CC3CC(CC(C3)C1)C2 ZINC000170835591 400776467 /nfs/dbraw/zinc/77/64/67/400776467.db2.gz KHXVPBXCHXWPLU-UHSVVUDUSA-N 1 0 314.477 3.387 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000170868033 400777740 /nfs/dbraw/zinc/77/77/40/400777740.db2.gz XLIHHTIRJWRUIN-WZTPKPFXSA-N 1 0 304.478 3.146 10 0 DGAERO OCCCCC[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000171144024 400787208 /nfs/dbraw/zinc/78/72/08/400787208.db2.gz SLAABJXILUSTDS-UHFFFAOYSA-N 1 0 312.457 3.120 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)NCC[NH+]2CCCCC2)c1 ZINC000171172079 400788152 /nfs/dbraw/zinc/78/81/52/400788152.db2.gz HYDCXQWGYLHVMZ-CQSZACIVSA-N 1 0 305.422 3.001 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000078428355 400799278 /nfs/dbraw/zinc/79/92/78/400799278.db2.gz IVRBDDSVKABQJL-KRWDZBQOSA-N 1 0 302.462 3.308 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000172500419 400830780 /nfs/dbraw/zinc/83/07/80/400830780.db2.gz VVCUUDKIIOLPEE-KRWDZBQOSA-N 1 0 317.477 3.196 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000172685294 400836527 /nfs/dbraw/zinc/83/65/27/400836527.db2.gz BFZUEEJPHWLGHO-INIZCTEOSA-N 1 0 309.841 3.265 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000605141137 400841931 /nfs/dbraw/zinc/84/19/31/400841931.db2.gz IIKFXRZYCQQPRN-DLBZAZTESA-N 1 0 318.486 3.178 10 0 DGAERO CCOC(=O)[C@](C)(C[NH2+][C@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000619430715 400847304 /nfs/dbraw/zinc/84/73/04/400847304.db2.gz SRXQDVYXABCZMJ-YQVWRLOYSA-N 1 0 319.445 3.055 10 0 DGAERO CC[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1nccs1 ZINC000080269111 400936592 /nfs/dbraw/zinc/93/65/92/400936592.db2.gz XIJKCAVAECBUMV-UONOGXRCSA-N 1 0 303.431 3.191 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000606646090 400938738 /nfs/dbraw/zinc/93/87/38/400938738.db2.gz PRSGRKUDEQZZPY-SJORKVTESA-N 1 0 317.477 3.130 10 0 DGAERO CC[N@@H+]1CCC[C@@]12CCN(c1ccc(N)c(OC(C)C)c1)C2 ZINC000215977885 400947704 /nfs/dbraw/zinc/94/77/04/400947704.db2.gz KIFOTUFZYSSPJX-SFHVURJKSA-N 1 0 303.450 3.121 10 0 DGAERO CC(C)[C@@H](CNC(=O)NCCCC1CC1)[NH+]1CCCCCC1 ZINC000605951450 400889577 /nfs/dbraw/zinc/88/95/77/400889577.db2.gz PDHCGEZUIVAVQH-QGZVFWFLSA-N 1 0 309.498 3.376 10 0 DGAERO C[NH+](C)CC1CCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC000606371404 400903630 /nfs/dbraw/zinc/90/36/30/400903630.db2.gz UIKJAAFJIXEJRI-UXBLZVDNSA-N 1 0 300.446 3.280 10 0 DGAERO Cc1ccc([C@@H](C)C[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000606468207 400918299 /nfs/dbraw/zinc/91/82/99/400918299.db2.gz GBWKOIAEULKXEX-LPHOPBHVSA-N 1 0 308.425 3.494 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000606500070 400923103 /nfs/dbraw/zinc/92/31/03/400923103.db2.gz ZEXMEVDCHOXYRU-BPQIPLTHSA-N 1 0 315.461 3.025 10 0 DGAERO COc1ccc([C@@H](N)[C@@H]([NH3+])c2ccc(OC)cc2C)c(C)c1 ZINC000197116751 400927913 /nfs/dbraw/zinc/92/79/13/400927913.db2.gz WFSMJQUJRDFMAQ-HDICACEKSA-N 1 0 300.402 3.020 10 0 DGAERO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccco1 ZINC000620190885 401007624 /nfs/dbraw/zinc/00/76/24/401007624.db2.gz YJKVZUSVNOWSDH-KRWDZBQOSA-N 1 0 324.424 3.312 10 0 DGAERO CC1=[N+]([O-])[C@@](C)(c2ccccc2)[N+](O)=C1c1ccc(Cl)cc1 ZINC000225412905 400957026 /nfs/dbraw/zinc/95/70/26/400957026.db2.gz IKRVXSPXMJUBCW-QGZVFWFLSA-N 1 0 316.788 3.280 10 0 DGAERO Nc1ccc(F)c(-c2ccnc3[nH]c(C4CC[NH2+]CC4)cc32)c1 ZINC000226058808 400960210 /nfs/dbraw/zinc/96/02/10/400960210.db2.gz RHHQNSIWSWQQJF-UHFFFAOYSA-N 1 0 310.376 3.418 10 0 DGAERO Cc1cccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1C ZINC000247271443 401048897 /nfs/dbraw/zinc/04/88/97/401048897.db2.gz RFEMSWNJGFDNBK-SJORKVTESA-N 1 0 315.461 3.244 10 0 DGAERO C[C@H]1CC[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000247305272 401050128 /nfs/dbraw/zinc/05/01/28/401050128.db2.gz VJBCVWBLQQXFDL-SAZUREKKSA-N 1 0 321.440 3.265 10 0 DGAERO c1cc(-c2cccc3c2OCCCO3)cc([C@H]2COCC[NH2+]2)c1 ZINC000629739336 401071610 /nfs/dbraw/zinc/07/16/10/401071610.db2.gz RRPYKVKSLVVJGR-QGZVFWFLSA-N 1 0 311.381 3.176 10 0 DGAERO C[N@H+](C/C=C\c1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000255338415 401103801 /nfs/dbraw/zinc/10/38/01/401103801.db2.gz LVSJYPQQHSHOMR-TWVNLXSWSA-N 1 0 308.429 3.091 10 0 DGAERO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCOCC2CC2)CC1 ZINC000607727829 401111437 /nfs/dbraw/zinc/11/14/37/401111437.db2.gz OXBWWAMHYKBDBQ-MRXNPFEDSA-N 1 0 314.473 3.329 10 0 DGAERO O=C(NCc1ccc2ccccc2c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262411007 401116672 /nfs/dbraw/zinc/11/66/72/401116672.db2.gz DGRGETJHUMAURZ-QRVBRYPASA-N 1 0 308.425 3.377 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)Cc2cccs2)n1 ZINC000615761609 401148808 /nfs/dbraw/zinc/14/88/08/401148808.db2.gz URMIAFHUZYBXRY-NSHDSACASA-N 1 0 324.471 3.145 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000358243944 286009103 /nfs/dbraw/zinc/00/91/03/286009103.db2.gz VMTBSJXJPUDZLX-QGZVFWFLSA-N 1 0 304.409 3.281 10 0 DGAERO Cc1noc([C@@H]2CC[C@H](C[NH2+]Cc3sccc3Cl)O2)n1 ZINC000278694344 401148033 /nfs/dbraw/zinc/14/80/33/401148033.db2.gz JDPVPORVMTYCLE-KOLCDFICSA-N 1 0 313.810 3.103 10 0 DGAERO CC(C)n1cc([C@@H](C)[NH2+]CC[C@H]2COc3ccccc3O2)cn1 ZINC000358270561 286017078 /nfs/dbraw/zinc/01/70/78/286017078.db2.gz WKNQVIFVSGNRGV-ZBFHGGJFSA-N 1 0 315.417 3.345 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(F)cn1 ZINC000358302353 286025467 /nfs/dbraw/zinc/02/54/67/286025467.db2.gz QNDZBUUADYPAHS-JSGCOSHPSA-N 1 0 302.349 3.101 10 0 DGAERO c1cc(C[NH2+]CCOCC2CCC2)n(CCc2ccccc2)n1 ZINC000621344371 401177236 /nfs/dbraw/zinc/17/72/36/401177236.db2.gz FESHZKOTJHEMCS-UHFFFAOYSA-N 1 0 313.445 3.032 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc(C(F)(F)F)ccc1F ZINC000062657739 401176224 /nfs/dbraw/zinc/17/62/24/401176224.db2.gz HEUHYEYEKYDVEC-VIFPVBQESA-N 1 0 304.287 3.173 10 0 DGAERO Oc1ccc(Br)c(C[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000621378301 401192387 /nfs/dbraw/zinc/19/23/87/401192387.db2.gz SWVLXONBBZWUKN-SECBINFHSA-N 1 0 306.150 3.290 10 0 DGAERO c1cn(Cc2ccccc2)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)n1 ZINC000625775881 401213811 /nfs/dbraw/zinc/21/38/11/401213811.db2.gz XDVCSFMMJZYOON-SJORKVTESA-N 1 0 313.470 3.401 10 0 DGAERO C[C@H]1CC[C@H](Nc2ncc(Cl)cc2Br)C[NH2+]1 ZINC000630093399 401182798 /nfs/dbraw/zinc/18/27/98/401182798.db2.gz NSJIGJGRUCANPE-CBAPKCEASA-N 1 0 304.619 3.050 10 0 DGAERO Cc1ccc(CC(=O)N(CC[NH+](C)C)C2CCCCC2)s1 ZINC000065746262 401277634 /nfs/dbraw/zinc/27/76/34/401277634.db2.gz NOHPZUGWXGTGGV-UHFFFAOYSA-N 1 0 308.491 3.322 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1C ZINC000626011467 401280004 /nfs/dbraw/zinc/28/00/04/401280004.db2.gz LSEGLOXTOXRITH-FXAWDEMLSA-N 1 0 315.457 3.409 10 0 DGAERO CC1CC(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000622017600 401336774 /nfs/dbraw/zinc/33/67/74/401336774.db2.gz YOTHGYQGFJYTPY-HTAVTVPLSA-N 1 0 318.244 3.369 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000066162151 401294853 /nfs/dbraw/zinc/29/48/53/401294853.db2.gz CJBQRWVWFRSJJD-WMLDXEAASA-N 1 0 317.433 3.096 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)c2ccccc21 ZINC000621759995 401296291 /nfs/dbraw/zinc/29/62/91/401296291.db2.gz CVGLDKVAPHSTLK-GDBMZVCRSA-N 1 0 302.418 3.032 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)c2ccccc21 ZINC000621764969 401298066 /nfs/dbraw/zinc/29/80/66/401298066.db2.gz PLDPLMPZFLIFGV-UNEWFSDZSA-N 1 0 302.418 3.032 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)n(CC2CCC2)n1 ZINC000631034541 401374660 /nfs/dbraw/zinc/37/46/60/401374660.db2.gz WZXPZAOOQJXTQF-LJQANCHMSA-N 1 0 324.472 3.047 10 0 DGAERO CCc1nc2ccccc2c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000622357746 401381313 /nfs/dbraw/zinc/38/13/13/401381313.db2.gz NMBZLUITZLOBNQ-HNNXBMFYSA-N 1 0 323.440 3.026 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccc(F)c(Cl)c1 ZINC000634955756 401388063 /nfs/dbraw/zinc/38/80/63/401388063.db2.gz PFKYSKSAJIDIPP-CMPLNLGQSA-N 1 0 319.829 3.097 10 0 DGAERO c1cnc2cc(C[NH2+]CC3([C@@H]4CCCCO4)CCC3)ccc2n1 ZINC000634988955 401396853 /nfs/dbraw/zinc/39/68/53/401396853.db2.gz MQLYYUZFVXHKDU-SFHVURJKSA-N 1 0 311.429 3.459 10 0 DGAERO c1ccc(-c2noc([C@H]3CCCCN3CC34CC(C3)C[NH2+]4)n2)cc1 ZINC000634994293 401397674 /nfs/dbraw/zinc/39/76/74/401397674.db2.gz YCTCPENDMXAJKV-NLGTXKQRSA-N 1 0 324.428 3.016 10 0 DGAERO c1cc(C[NH2+]CCc2cccc3[nH]ccc32)n(CC2CCC2)n1 ZINC000631129334 401403087 /nfs/dbraw/zinc/40/30/87/401403087.db2.gz ZBBJRXVBQQBAOP-UHFFFAOYSA-N 1 0 308.429 3.497 10 0 DGAERO CCOCCC1(C[NH2+][C@H](C)C2(OC)CCOCC2)CCCC1 ZINC000453145213 286049666 /nfs/dbraw/zinc/04/96/66/286049666.db2.gz RWUPLOJQTOFHFI-MRXNPFEDSA-N 1 0 313.482 3.147 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)n(CC2CCC2)n1 ZINC000631149974 401409396 /nfs/dbraw/zinc/40/93/96/401409396.db2.gz QHRPBRZCMTWHFJ-INIZCTEOSA-N 1 0 303.450 3.122 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]CC3=CCCOC3)[C@H]21 ZINC000631193333 401421915 /nfs/dbraw/zinc/42/19/15/401421915.db2.gz NWLSFFOWZUFVAJ-NUEKZKHPSA-N 1 0 320.230 3.024 10 0 DGAERO c1cc(C[NH2+]Cc2cccc3c2CCOC3)n(-c2ccccc2)n1 ZINC000631244312 401435479 /nfs/dbraw/zinc/43/54/79/401435479.db2.gz QOSZNSXYSNEUQA-UHFFFAOYSA-N 1 0 319.408 3.235 10 0 DGAERO c1ccc(N2CC[C@@H]([NH2+]Cc3cccc4c3CCOC4)C2)cc1 ZINC000631244343 401435660 /nfs/dbraw/zinc/43/56/60/401435660.db2.gz QZTLGICTYLNOGL-GOSISDBHSA-N 1 0 308.425 3.128 10 0 DGAERO c1ccc(N2CC[C@H]([NH2+]Cc3cccc4c3CCOC4)C2)cc1 ZINC000631244345 401435707 /nfs/dbraw/zinc/43/57/07/401435707.db2.gz QZTLGICTYLNOGL-SFHVURJKSA-N 1 0 308.425 3.128 10 0 DGAERO c1cc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)n(CC2CC2)n1 ZINC000631244483 401436128 /nfs/dbraw/zinc/43/61/28/401436128.db2.gz CFSQGNOWRZQIEQ-KRWDZBQOSA-N 1 0 303.450 3.122 10 0 DGAERO Brc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)o1 ZINC000631252738 401438280 /nfs/dbraw/zinc/43/82/80/401438280.db2.gz CECBGTCNWXKWGV-TZMCWYRMSA-N 1 0 314.223 3.479 10 0 DGAERO c1cnn(-c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)cc2)c1 ZINC000631255271 401439190 /nfs/dbraw/zinc/43/91/90/401439190.db2.gz UAMURHFHVMXKJI-MOPGFXCFSA-N 1 0 311.429 3.310 10 0 DGAERO C/C(=C\c1ccccc1)CN(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627129713 401447091 /nfs/dbraw/zinc/44/70/91/401447091.db2.gz RBNDEZMUDJIBQS-LCJXNMAOSA-N 1 0 313.445 3.016 10 0 DGAERO c1cc2n(n1)CCC[C@H]2NCc1csc(-c2ccccn2)n1 ZINC000631300213 401447668 /nfs/dbraw/zinc/44/76/68/401447668.db2.gz BRRQDVBBBZMQFJ-CYBMUJFWSA-N 1 0 311.414 3.026 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC[C@@H](O)C(F)F ZINC000631696815 401538616 /nfs/dbraw/zinc/53/86/16/401538616.db2.gz IBWHLESPWQCYEQ-WCBMZHEXSA-N 1 0 306.422 3.416 10 0 DGAERO Brc1sccc1C[NH2+]CCOCC1CCC1 ZINC000623493482 401531917 /nfs/dbraw/zinc/53/19/17/401531917.db2.gz GSTJYXWRSBDNJG-UHFFFAOYSA-N 1 0 304.253 3.417 10 0 DGAERO c1cc2cc(C[NH+]3CCC(c4nnc5n4CCC5)CC3)ccc2[nH]1 ZINC000628145749 401533510 /nfs/dbraw/zinc/53/35/10/401533510.db2.gz UPUONOMOIISCRV-UHFFFAOYSA-N 1 0 321.428 3.085 10 0 DGAERO Brc1ccnc2c1C[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000623286996 401486093 /nfs/dbraw/zinc/48/60/93/401486093.db2.gz LPDCFIIRFDAHPG-ZSBIGDGJSA-N 1 0 307.235 3.248 10 0 DGAERO Brc1cc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)cs1 ZINC000631887253 401563784 /nfs/dbraw/zinc/56/37/84/401563784.db2.gz MQFDOUUVQOJIEN-NWDGAFQWSA-N 1 0 315.280 3.085 10 0 DGAERO c1sc(C2CCCC2)nc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889712 401564615 /nfs/dbraw/zinc/56/46/15/401564615.db2.gz LWWQFXMKDJXGTA-ZBFHGGJFSA-N 1 0 305.491 3.375 10 0 DGAERO c1ccc(Oc2cccnc2)c(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888922 401564832 /nfs/dbraw/zinc/56/48/32/401564832.db2.gz DFTWHZQBWNCQPW-QFBILLFUSA-N 1 0 323.440 3.448 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000358466524 286069770 /nfs/dbraw/zinc/06/97/70/286069770.db2.gz XIUFNVNCMZOKPU-UHFFFAOYSA-N 1 0 324.428 3.251 10 0 DGAERO O[C@H](CC[NH2+][C@@H]1CCc2c1cccc2Br)C(F)F ZINC000631703673 401540829 /nfs/dbraw/zinc/54/08/29/401540829.db2.gz UULNAKSARZTYPF-VXGBXAGGSA-N 1 0 320.177 3.042 10 0 DGAERO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccsc1Br ZINC000623574462 401548732 /nfs/dbraw/zinc/54/87/32/401548732.db2.gz OQYSKQUTWKMCDE-SNVBAGLBSA-N 1 0 304.253 3.415 10 0 DGAERO O=C(c1cc(Cl)sc1Cl)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632875749 401634206 /nfs/dbraw/zinc/63/42/06/401634206.db2.gz NIBMWWRTOPSERY-WCBMZHEXSA-N 1 0 319.257 3.269 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)C1 ZINC000624310363 401649128 /nfs/dbraw/zinc/64/91/28/401649128.db2.gz AOFQWFXMOYRBIQ-MHORFTMASA-N 1 0 303.446 3.385 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000624222888 401640990 /nfs/dbraw/zinc/64/09/90/401640990.db2.gz ITPDYLRNBYYJRQ-QSFXBCCZSA-N 1 0 323.440 3.407 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000624235976 401642398 /nfs/dbraw/zinc/64/23/98/401642398.db2.gz UEEGGGBFOQRAHM-MJBXVCDLSA-N 1 0 304.217 3.184 10 0 DGAERO c1ccc(-c2ncc3c(n2)CC[C@H]([NH2+]Cc2cccnc2)C3)cc1 ZINC000624477640 401664049 /nfs/dbraw/zinc/66/40/49/401664049.db2.gz WZJNXMCHYAZIEZ-SFHVURJKSA-N 1 0 316.408 3.186 10 0 DGAERO COc1ccccc1C(C)(C)CNC(=[NH2+])N1CCC(C)CC1 ZINC000624582380 401672923 /nfs/dbraw/zinc/67/29/23/401672923.db2.gz ORCGXHCQHHRVCP-UHFFFAOYSA-N 1 0 303.450 3.229 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCN1CCCCC1 ZINC000358912656 286185435 /nfs/dbraw/zinc/18/54/35/286185435.db2.gz FIOLBEYBSUARJI-LJQANCHMSA-N 1 0 324.472 3.325 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@H]1CCCCO1 ZINC000358917476 286186940 /nfs/dbraw/zinc/18/69/40/286186940.db2.gz UWZUUMCLENIQGI-AEFFLSMTSA-N 1 0 311.429 3.408 10 0 DGAERO COc1cc(C)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171530885 286212206 /nfs/dbraw/zinc/21/22/06/286212206.db2.gz OMSQXZSQWPIQCR-HNNXBMFYSA-N 1 0 317.433 3.096 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(-c2ncco2)c1C ZINC000359131519 286244170 /nfs/dbraw/zinc/24/41/70/286244170.db2.gz JXVZSXDXFXOOJO-MRXNPFEDSA-N 1 0 313.401 3.463 10 0 DGAERO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359205156 286260676 /nfs/dbraw/zinc/26/06/76/286260676.db2.gz FDLKXSKMBHQLKM-OLMNPRSZSA-N 1 0 317.408 3.053 10 0 DGAERO Cc1ccncc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000359193682 286258540 /nfs/dbraw/zinc/25/85/40/286258540.db2.gz KYNVAMXUSBYGPZ-QGZVFWFLSA-N 1 0 315.461 3.118 10 0 DGAERO COC(=O)[C@@H](C1CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000359612019 286346698 /nfs/dbraw/zinc/34/66/98/286346698.db2.gz RAKHSMIXESHBPW-GOSISDBHSA-N 1 0 312.413 3.299 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@H](COC)c2ccc(F)cc2)cn1 ZINC000359737379 286371054 /nfs/dbraw/zinc/37/10/54/286371054.db2.gz CRDNMXYNIKNSTP-QGZVFWFLSA-N 1 0 317.408 3.154 10 0 DGAERO Brc1ccnc(NC2CC([NH+]3CCCCC3)C2)c1 ZINC000360094714 286423226 /nfs/dbraw/zinc/42/32/26/286423226.db2.gz XOAVYKPUDGRJLW-UHFFFAOYSA-N 1 0 310.239 3.273 10 0 DGAERO COc1ccccc1C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)C(C)C ZINC000090453860 286499890 /nfs/dbraw/zinc/49/98/90/286499890.db2.gz MHOHXAOOMIEGLQ-AEFFLSMTSA-N 1 0 313.445 3.133 10 0 DGAERO CC[NH+](CC)CC1CCN(c2ncnc3ccc(F)cc32)CC1 ZINC000360965123 286564251 /nfs/dbraw/zinc/56/42/51/286564251.db2.gz CPNZMFPANCVHMH-UHFFFAOYSA-N 1 0 316.424 3.327 10 0 DGAERO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]([C@H]3CCOC3)C1)OCCO2 ZINC000360966245 286564608 /nfs/dbraw/zinc/56/46/08/286564608.db2.gz MSCWKMNJPVVPJL-YESZJQIVSA-N 1 0 317.429 3.143 10 0 DGAERO O=C1[C@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)CCN1C1CC1 ZINC000361321844 286652124 /nfs/dbraw/zinc/65/21/24/286652124.db2.gz QVHFTPQAMMZPLE-LJQANCHMSA-N 1 0 323.440 3.111 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000179494293 292383289 /nfs/dbraw/zinc/38/32/89/292383289.db2.gz NFGLYXHOSZNCFM-IAOVAPTHSA-N 1 0 310.869 3.490 10 0 DGAERO CC[C@@H](CO)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000188674576 286846639 /nfs/dbraw/zinc/84/66/39/286846639.db2.gz FQAFLZSONPUJNH-WCQYABFASA-N 1 0 314.223 3.023 10 0 DGAERO O=C(/C=C/c1cc(Cl)ccc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000364003448 286979441 /nfs/dbraw/zinc/97/94/41/286979441.db2.gz YWMCPOPLZTUUGM-VUUYWXRKSA-N 1 0 313.228 3.265 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000364459002 287029486 /nfs/dbraw/zinc/02/94/86/287029486.db2.gz PEAXHQYIIVLNIE-YLJYHZDGSA-N 1 0 316.489 3.446 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N(C)C(C1CC1)C1CC1)CC2 ZINC000364538547 287037661 /nfs/dbraw/zinc/03/76/61/287037661.db2.gz FBTNTDIXVPPPBD-CQSZACIVSA-N 1 0 315.461 3.285 10 0 DGAERO CN(C(=O)CSc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000364651788 287049530 /nfs/dbraw/zinc/04/95/30/287049530.db2.gz YUGPQVZAWGMDIN-CYBMUJFWSA-N 1 0 312.866 3.033 10 0 DGAERO CN(C(=O)c1cc(F)c(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000364773925 287060441 /nfs/dbraw/zinc/06/04/41/287060441.db2.gz FRPXJNUQTICXOQ-SECBINFHSA-N 1 0 319.207 3.347 10 0 DGAERO CC[NH+](CC)CCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000056941539 164555942 /nfs/dbraw/zinc/55/59/42/164555942.db2.gz KWOXIDLJSHEPTB-LLVKDONJSA-N 1 0 315.820 3.181 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc2ccccc2o1 ZINC000166635132 164602174 /nfs/dbraw/zinc/60/21/74/164602174.db2.gz VWXIXPWEHVMSPH-ZBFHGGJFSA-N 1 0 324.428 3.486 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1C ZINC000166486287 164602191 /nfs/dbraw/zinc/60/21/91/164602191.db2.gz QWQAKEOMAZTHGH-DLBZAZTESA-N 1 0 312.461 3.357 10 0 DGAERO Cc1cccc2[nH]cc(CC[NH2+]Cc3cnn4ccccc34)c21 ZINC000171764168 164638262 /nfs/dbraw/zinc/63/82/62/164638262.db2.gz MRZGLYWBFJAQHH-UHFFFAOYSA-N 1 0 304.397 3.456 10 0 DGAERO O[C@@H](CN1CCC[C@@H]1c1ccc(F)c(F)c1)CC(F)(F)F ZINC000364894746 287072569 /nfs/dbraw/zinc/07/25/69/287072569.db2.gz LUZPIRGSVNENPW-ZWNOBZJWSA-N 1 0 309.278 3.415 10 0 DGAERO Fc1ccc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000364919509 287075986 /nfs/dbraw/zinc/07/59/86/287075986.db2.gz WKTQZBUFWHHICG-MRXNPFEDSA-N 1 0 305.441 3.309 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1-n1cccn1 ZINC000177305471 164804342 /nfs/dbraw/zinc/80/43/42/164804342.db2.gz ATJIVMBEWXHKKL-SJLPKXTDSA-N 1 0 321.424 3.127 10 0 DGAERO C[C@H](CC1CC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177509495 164809394 /nfs/dbraw/zinc/80/93/94/164809394.db2.gz ZKULXXKYBBZTIY-CQSZACIVSA-N 1 0 307.482 3.271 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1F ZINC000177744902 164814315 /nfs/dbraw/zinc/81/43/15/164814315.db2.gz OVULIGNVGVWPFK-NSHDSACASA-N 1 0 305.397 3.078 10 0 DGAERO Cc1cc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c(C)s1 ZINC000178049171 164823901 /nfs/dbraw/zinc/82/39/01/164823901.db2.gz VCIHOHBWPMBYNB-GFCCVEGCSA-N 1 0 313.430 3.191 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1c3ccccc3NC1=O)CC2 ZINC000180382220 164882171 /nfs/dbraw/zinc/88/21/71/164882171.db2.gz BPVAHRXEHREZAO-SJLPKXTDSA-N 1 0 322.408 3.398 10 0 DGAERO COCc1ccsc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000180418362 164883572 /nfs/dbraw/zinc/88/35/72/164883572.db2.gz HIXNDMZXBIQHCX-HNNXBMFYSA-N 1 0 324.490 3.135 10 0 DGAERO CC(C)(C)C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000181936401 164924734 /nfs/dbraw/zinc/92/47/34/164924734.db2.gz JLBVJNBCNXBEBD-JKSUJKDBSA-N 1 0 316.424 3.499 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000185370002 165001726 /nfs/dbraw/zinc/00/17/26/165001726.db2.gz JBGGODQPHHDPRD-HNNXBMFYSA-N 1 0 312.841 3.007 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000185354565 165001738 /nfs/dbraw/zinc/00/17/38/165001738.db2.gz UNYZJEXXACZOMQ-CQSZACIVSA-N 1 0 323.824 3.229 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000185367476 165001847 /nfs/dbraw/zinc/00/18/47/165001847.db2.gz PCIQSRUSGWAVTJ-MRXNPFEDSA-N 1 0 306.381 3.320 10 0 DGAERO Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000185387473 165003206 /nfs/dbraw/zinc/00/32/06/165003206.db2.gz KKELKORGWTUIIR-ZBFHGGJFSA-N 1 0 315.442 3.118 10 0 DGAERO Cc1ccc(-c2cncc(C(=O)N[C@H]3CCCC[C@@H]3[NH3+])c2)cc1 ZINC000185498294 165006016 /nfs/dbraw/zinc/00/60/16/165006016.db2.gz CIJURSUIGPFDLS-ROUUACIJSA-N 1 0 309.413 3.057 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000185642701 165011326 /nfs/dbraw/zinc/01/13/26/165011326.db2.gz JRWBICPDZOXKTK-HNNXBMFYSA-N 1 0 312.413 3.299 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000185798430 165016250 /nfs/dbraw/zinc/01/62/50/165016250.db2.gz FPQRFZJUINGCKK-ZGUYJTEBSA-N 1 0 306.494 3.438 10 0 DGAERO CC(C)n1nnnc1C[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000185957829 165023022 /nfs/dbraw/zinc/02/30/22/165023022.db2.gz MGNOOEKYUWHHIJ-OAHLLOKOSA-N 1 0 313.449 3.244 10 0 DGAERO C[C@@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1cc2ccccc2o1 ZINC000186504834 165047053 /nfs/dbraw/zinc/04/70/53/165047053.db2.gz HCJQHEKNESNNPF-HIFRSBDPSA-N 1 0 312.413 3.279 10 0 DGAERO O=C(CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)c1ccc(F)cc1F ZINC000186690197 165055263 /nfs/dbraw/zinc/05/52/63/165055263.db2.gz XHLBYLDJCYVQCH-LBPRGKRZSA-N 1 0 319.355 3.140 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1ccc(Cl)s1 ZINC000186967677 165069264 /nfs/dbraw/zinc/06/92/64/165069264.db2.gz UZPXZUYMEVFUOC-NXEZZACHSA-N 1 0 321.895 3.265 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(C)n1 ZINC000187063246 165075189 /nfs/dbraw/zinc/07/51/89/165075189.db2.gz GUUQYPLEQDEACD-QGZVFWFLSA-N 1 0 321.428 3.121 10 0 DGAERO Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c(C)n1 ZINC000187328556 165085026 /nfs/dbraw/zinc/08/50/26/165085026.db2.gz HEJWCRLUSYFKKL-FQEVSTJZSA-N 1 0 310.441 3.472 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N2Cc3ccccc3C3(CC3)C2)CC1 ZINC000187299151 165085498 /nfs/dbraw/zinc/08/54/98/165085498.db2.gz OUPQFBRDBMADDN-UHFFFAOYSA-N 1 0 312.457 3.181 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(C)C)CC2 ZINC000187328749 165086681 /nfs/dbraw/zinc/08/66/81/165086681.db2.gz YRHVPEVCZOUOHC-IRXDYDNUSA-N 1 0 312.461 3.012 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000189038592 165146367 /nfs/dbraw/zinc/14/63/67/165146367.db2.gz SKIRZRUINVYWEQ-XOKHGSTOSA-N 1 0 304.409 3.095 10 0 DGAERO CC(C)CC[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189058529 165147947 /nfs/dbraw/zinc/14/79/47/165147947.db2.gz IBWXNKVLQNJSTN-PBHICJAKSA-N 1 0 306.425 3.341 10 0 DGAERO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000190102656 165189605 /nfs/dbraw/zinc/18/96/05/165189605.db2.gz VKJZFYSXUJDCSG-HUUCEWRRSA-N 1 0 307.438 3.356 10 0 DGAERO CCc1nnc(C2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)[nH]1 ZINC000190706571 165213591 /nfs/dbraw/zinc/21/35/91/165213591.db2.gz ITXPZNBJRUUCBH-CYBMUJFWSA-N 1 0 314.433 3.316 10 0 DGAERO CC(C)OC[C@H](O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191242298 165237912 /nfs/dbraw/zinc/23/79/12/165237912.db2.gz DLXOAQMYOSHIDR-OAHLLOKOSA-N 1 0 319.367 3.227 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@@H](C)COCc2ccccc2)cn1 ZINC000191227714 165238275 /nfs/dbraw/zinc/23/82/75/165238275.db2.gz AOXDJUQIDIYXNR-INIZCTEOSA-N 1 0 313.445 3.233 10 0 DGAERO CCN(C)c1ccc(C[NH2+]CCc2cc(F)ccc2F)cn1 ZINC000191269820 165240092 /nfs/dbraw/zinc/24/00/92/165240092.db2.gz JGQLPMWHNZNLOQ-UHFFFAOYSA-N 1 0 305.372 3.148 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000191539372 165256602 /nfs/dbraw/zinc/25/66/02/165256602.db2.gz YCMXEZTWCBLKSM-UHFFFAOYSA-N 1 0 321.490 3.008 10 0 DGAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1nc2cc(F)ccc2o1 ZINC000191652996 165262956 /nfs/dbraw/zinc/26/29/56/165262956.db2.gz JVCHVSSVZVFMCK-QGZVFWFLSA-N 1 0 306.381 3.340 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191672593 165265343 /nfs/dbraw/zinc/26/53/43/165265343.db2.gz VXEKJWFIAGPBSJ-CYBMUJFWSA-N 1 0 310.388 3.059 10 0 DGAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191675526 165265583 /nfs/dbraw/zinc/26/55/83/165265583.db2.gz RPJUYNISAPWTQT-CYBMUJFWSA-N 1 0 310.388 3.013 10 0 DGAERO O=C1OCC[C@H]1CC[N@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191675776 165265697 /nfs/dbraw/zinc/26/56/97/165265697.db2.gz SKPFABBKDPQWMU-OLZOCXBDSA-N 1 0 309.356 3.097 10 0 DGAERO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000192638714 165300767 /nfs/dbraw/zinc/30/07/67/165300767.db2.gz MTODAUIOVAYCQI-LBPRGKRZSA-N 1 0 313.426 3.188 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(c2ncnc3c(C)csc32)C1 ZINC000192634893 165300905 /nfs/dbraw/zinc/30/09/05/165300905.db2.gz OWIYMODTDKUAHD-CYBMUJFWSA-N 1 0 304.463 3.168 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)n1 ZINC000193047468 165315669 /nfs/dbraw/zinc/31/56/69/165315669.db2.gz HLQPHDCZAUDRAL-LSDHHAIUSA-N 1 0 310.463 3.174 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1sccc1Cl)CC2 ZINC000193092206 165316546 /nfs/dbraw/zinc/31/65/46/165316546.db2.gz HRTOUUQEODBERA-JTQLQIEISA-N 1 0 310.854 3.221 10 0 DGAERO CSc1ccc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000193431970 165326628 /nfs/dbraw/zinc/32/66/28/165326628.db2.gz LWACWFMZZKZXTM-OAHLLOKOSA-N 1 0 320.502 3.094 10 0 DGAERO O=C(c1ccccc1)C1CCN(CCC[NH+]2CCCC2)CC1 ZINC000193466333 165327316 /nfs/dbraw/zinc/32/73/16/165327316.db2.gz WKECXYJUXWMESH-UHFFFAOYSA-N 1 0 300.446 3.067 10 0 DGAERO CCCOc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)c(C)c1 ZINC000193574164 165329657 /nfs/dbraw/zinc/32/96/57/165329657.db2.gz VIFCGZCQLGUFAW-UHFFFAOYSA-N 1 0 319.449 3.342 10 0 DGAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N[C@H](C)c1ccccc1 ZINC000194516792 165347967 /nfs/dbraw/zinc/34/79/67/165347967.db2.gz YDXRPQCNMLQLQU-HUUCEWRRSA-N 1 0 323.440 3.310 10 0 DGAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N1CCc2ccccc21 ZINC000194519008 165348555 /nfs/dbraw/zinc/34/85/55/165348555.db2.gz IDXCHUHPXHFRET-CQSZACIVSA-N 1 0 321.424 3.022 10 0 DGAERO O=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000194504465 165349090 /nfs/dbraw/zinc/34/90/90/165349090.db2.gz PCLUTMJHPUJAMZ-HOTGVXAUSA-N 1 0 318.848 3.140 10 0 DGAERO C[C@@H](CC[NH2+][C@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000194621849 165350543 /nfs/dbraw/zinc/35/05/43/165350543.db2.gz AGWBIAZAQFAYSF-LPHOPBHVSA-N 1 0 323.440 3.360 10 0 DGAERO CCc1csc([C@H]2CCCN([C@@H](C)c3nnc(C)o3)C2)n1 ZINC000195383426 165368962 /nfs/dbraw/zinc/36/89/62/165368962.db2.gz ILMXHKOKBANJDA-JQWIXIFHSA-N 1 0 306.435 3.338 10 0 DGAERO O[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000217853510 165377608 /nfs/dbraw/zinc/37/76/08/165377608.db2.gz BHUMFSGHTWIHLF-CMPLNLGQSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Cl)s1 ZINC000227153950 165385754 /nfs/dbraw/zinc/38/57/54/165385754.db2.gz YSBTYJZKPPPTQZ-MJVIPROJSA-N 1 0 301.839 3.390 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)c1cccs1 ZINC000246462791 165520290 /nfs/dbraw/zinc/52/02/90/165520290.db2.gz VDPMGFCNWYKFCS-MGPQQGTHSA-N 1 0 307.463 3.077 10 0 DGAERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000249808967 165685525 /nfs/dbraw/zinc/68/55/25/165685525.db2.gz XZIHVDLYDXLOBT-NIOBXDJOSA-N 1 0 324.465 3.074 10 0 DGAERO C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])c1cc2ccccc2o1 ZINC000261665869 165731129 /nfs/dbraw/zinc/73/11/29/165731129.db2.gz CJRLDJBHKKDRAZ-IPYPFGDCSA-N 1 0 300.402 3.122 10 0 DGAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000261874050 165759936 /nfs/dbraw/zinc/75/99/36/165759936.db2.gz QYJBBJFBUGGZFD-SJKOYZFVSA-N 1 0 306.837 3.297 10 0 DGAERO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261999270 165775748 /nfs/dbraw/zinc/77/57/48/165775748.db2.gz UWOITUFMQZSTAF-BGTYHANMSA-N 1 0 300.446 3.045 10 0 DGAERO C[NH2+]CCC1CCN(C(=O)[C@H](C)Sc2ccccc2)CC1 ZINC000262058024 165782493 /nfs/dbraw/zinc/78/24/93/165782493.db2.gz NNRQNCKXIINUHV-AWEZNQCLSA-N 1 0 306.475 3.015 10 0 DGAERO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1ccc(Cl)cc1 ZINC000262271250 165795427 /nfs/dbraw/zinc/79/54/27/165795427.db2.gz VURPRKCTFLYADY-HACGYAERSA-N 1 0 306.837 3.297 10 0 DGAERO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000262312186 165797247 /nfs/dbraw/zinc/79/72/47/165797247.db2.gz BWCDAQFCGCZUIC-CHWSQXEVSA-N 1 0 306.475 3.220 10 0 DGAERO CSCc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000262335754 165798494 /nfs/dbraw/zinc/79/84/94/165798494.db2.gz FCXQVRQZXJYTKV-WMLDXEAASA-N 1 0 304.459 3.268 10 0 DGAERO C[C@H](C(=O)Nc1ccccc1COc1ccccc1)C1C[NH2+]C1 ZINC000262619844 165813234 /nfs/dbraw/zinc/81/32/34/165813234.db2.gz ZLENBHXKNVJNDN-AWEZNQCLSA-N 1 0 310.397 3.060 10 0 DGAERO COc1cc(C)cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000365872107 287182840 /nfs/dbraw/zinc/18/28/40/287182840.db2.gz KBNMFECWLHATAU-OAHLLOKOSA-N 1 0 319.449 3.260 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@H]3CCOc4ccccc43)o2)n[nH]1 ZINC000366013209 287199811 /nfs/dbraw/zinc/19/98/11/287199811.db2.gz XAYQIQXRUHJPES-CYBMUJFWSA-N 1 0 309.369 3.326 10 0 DGAERO Cc1nc([C@@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)no1 ZINC000366014168 287199927 /nfs/dbraw/zinc/19/99/27/287199927.db2.gz XWEBNYZJWQEUGM-ZBFHGGJFSA-N 1 0 306.454 3.027 10 0 DGAERO Cc1cc([C@@H]2CN(CCc3ccccn3)CCO2)ccc1F ZINC000128980137 196009006 /nfs/dbraw/zinc/00/90/06/196009006.db2.gz RYOHENGEWGEDEZ-SFHVURJKSA-N 1 0 300.377 3.145 10 0 DGAERO Fc1ccccc1NC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000129012934 196012129 /nfs/dbraw/zinc/01/21/29/196012129.db2.gz ZMLUWJCWFRBZIW-UHFFFAOYSA-N 1 0 305.441 3.188 10 0 DGAERO C[C@@H](CC[NH2+]Cc1nc(-c2ccccc2)cs1)[S@@](C)=O ZINC000129338026 196040793 /nfs/dbraw/zinc/04/07/93/196040793.db2.gz LHIYYYKYNGDRDW-YUNKPMOVSA-N 1 0 308.472 3.057 10 0 DGAERO CSCCC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246647623 432151293 /nfs/dbraw/zinc/15/12/93/432151293.db2.gz CNSFIUQELAHITN-HWWDLCQESA-N 1 0 320.502 3.012 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000246675053 432153762 /nfs/dbraw/zinc/15/37/62/432153762.db2.gz FVPKTYRWFQNHBF-LPHOPBHVSA-N 1 0 323.440 3.238 10 0 DGAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000182029840 432153940 /nfs/dbraw/zinc/15/39/40/432153940.db2.gz HBCHRAATUDGMBQ-QAPCUYQASA-N 1 0 311.466 3.125 10 0 DGAERO COc1c(C[NH2+]C[C@@H](Cc2ccccc2)C(C)C)c(C)nn1C ZINC000190410502 432154032 /nfs/dbraw/zinc/15/40/32/432154032.db2.gz BIQWEORGZYEFRO-QGZVFWFLSA-N 1 0 315.461 3.342 10 0 DGAERO CCc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1C ZINC000182008078 432154548 /nfs/dbraw/zinc/15/45/48/432154548.db2.gz JOOPDXYHTGXSJQ-QGZVFWFLSA-N 1 0 301.434 3.259 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000182001110 432154701 /nfs/dbraw/zinc/15/47/01/432154701.db2.gz BSNRVDQOCBLJQS-UHFFFAOYSA-N 1 0 317.408 3.159 10 0 DGAERO COc1cc(Br)ccc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000182074615 432156645 /nfs/dbraw/zinc/15/66/45/432156645.db2.gz AMGYZUFTYGBUAT-ZDUSSCGKSA-N 1 0 314.223 3.069 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]CCn1ccnc1 ZINC000190436865 432157117 /nfs/dbraw/zinc/15/71/17/432157117.db2.gz BANXNODXGPIUNW-NSHDSACASA-N 1 0 324.222 3.005 10 0 DGAERO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3scnc3C)C2)o1 ZINC000190458659 432158324 /nfs/dbraw/zinc/15/83/24/432158324.db2.gz ARCKMZPLHIDBKP-HNNXBMFYSA-N 1 0 319.474 3.307 10 0 DGAERO CCn1c(C)nnc1C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000246728300 432158924 /nfs/dbraw/zinc/15/89/24/432158924.db2.gz JCQOKLPZVHXVQZ-IUODEOHRSA-N 1 0 302.397 3.124 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000246756191 432162695 /nfs/dbraw/zinc/16/26/95/432162695.db2.gz BPMPTDYSZUGWMG-SMDDNHRTSA-N 1 0 314.351 3.164 10 0 DGAERO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190490714 432162747 /nfs/dbraw/zinc/16/27/47/432162747.db2.gz YVRUNSCTXRFJQX-HXUWFJFHSA-N 1 0 309.457 3.344 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3ccccc32)C1 ZINC000246773737 432164239 /nfs/dbraw/zinc/16/42/39/432164239.db2.gz QNDHNGBKYJNAQX-QFBILLFUSA-N 1 0 308.425 3.396 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171716523 432165087 /nfs/dbraw/zinc/16/50/87/432165087.db2.gz HWNPFVXYDLBOLR-VAMGGRTRSA-N 1 0 320.436 3.250 10 0 DGAERO Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000246791576 432165304 /nfs/dbraw/zinc/16/53/04/432165304.db2.gz SFQLVGQKRBZTHQ-WBMJQRKESA-N 1 0 302.809 3.256 10 0 DGAERO Cc1ncsc1CN(C)c1cc(N2CCC[C@H](C)C2)ncn1 ZINC000171727999 432165840 /nfs/dbraw/zinc/16/58/40/432165840.db2.gz BNKWPSIVNRRJFC-LBPRGKRZSA-N 1 0 317.462 3.114 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(-n2ccnc2)cc1 ZINC000246809844 432169101 /nfs/dbraw/zinc/16/91/01/432169101.db2.gz ACJYZDPAHZMIEH-PIKADFDJSA-N 1 0 311.429 3.481 10 0 DGAERO CC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1nccn1C ZINC000182238950 432170429 /nfs/dbraw/zinc/17/04/29/432170429.db2.gz TZDUQRFSMXLEPU-GOSISDBHSA-N 1 0 312.461 3.257 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2noc(C3CCCCC3)n2)[C@@H](C)C1 ZINC000246893808 432178138 /nfs/dbraw/zinc/17/81/38/432178138.db2.gz RCZOVTYCPYLAQE-GOEBONIOSA-N 1 0 320.481 3.279 10 0 DGAERO C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC000246895964 432178790 /nfs/dbraw/zinc/17/87/90/432178790.db2.gz HFBLATSGVQRDIU-GGOUWCIISA-N 1 0 307.482 3.126 10 0 DGAERO CC(C)[N@H+](C)Cc1cccc(CNC(=O)Cc2ccccc2)c1 ZINC000171852505 432178891 /nfs/dbraw/zinc/17/88/91/432178891.db2.gz PQCOKRJZYKGEPL-UHFFFAOYSA-N 1 0 310.441 3.386 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC2CCC(C[NH+](C)C)CC2)o1 ZINC000137998687 432182020 /nfs/dbraw/zinc/18/20/20/432182020.db2.gz RZPWZAXREXMPDQ-NFOMZHRRSA-N 1 0 307.438 3.069 10 0 DGAERO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246844449 432172957 /nfs/dbraw/zinc/17/29/57/432172957.db2.gz ZXLAYHGKZRWEJW-TZMCWYRMSA-N 1 0 323.824 3.063 10 0 DGAERO CC(C)Oc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246883135 432176397 /nfs/dbraw/zinc/17/63/97/432176397.db2.gz VAKDLWGHSKFFPE-UAGQMJEPSA-N 1 0 316.445 3.011 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c(F)cccc1Cl ZINC000246964116 432184496 /nfs/dbraw/zinc/18/44/96/432184496.db2.gz MZQLRFDKZXSEPC-STQMWFEESA-N 1 0 324.827 3.107 10 0 DGAERO CS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000246964347 432185426 /nfs/dbraw/zinc/18/54/26/432185426.db2.gz VBYVGIZUACWLER-ZMSDIMECSA-N 1 0 320.502 3.470 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC1)CCCO2 ZINC000182385877 432185996 /nfs/dbraw/zinc/18/59/96/432185996.db2.gz VFAZGZVPEPPTFG-DGCLKSJQSA-N 1 0 312.207 3.041 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246974201 432186292 /nfs/dbraw/zinc/18/62/92/432186292.db2.gz JEVKCLGHRODBEU-ZBFHGGJFSA-N 1 0 304.434 3.137 10 0 DGAERO Cc1cc(C)n(C[C@H]2C[N@H+](C[C@H](C)c3ccccc3)CCO2)n1 ZINC000246975901 432186323 /nfs/dbraw/zinc/18/63/23/432186323.db2.gz FDMMISLREWSVDQ-HNAYVOBHSA-N 1 0 313.445 3.004 10 0 DGAERO CC[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccc(C)cc1 ZINC000246982265 432186529 /nfs/dbraw/zinc/18/65/29/432186529.db2.gz DYBPVERDHDZCBT-NJAFHUGGSA-N 1 0 315.461 3.324 10 0 DGAERO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](C)OC)CC1 ZINC000182411182 432187476 /nfs/dbraw/zinc/18/74/76/432187476.db2.gz CZADSOJQYRZPCZ-AWEZNQCLSA-N 1 0 301.434 3.271 10 0 DGAERO C[C@H]1OCC[C@@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000149486770 432188190 /nfs/dbraw/zinc/18/81/90/432188190.db2.gz DVQUKNZCCFUDQO-WPSFFTEHSA-N 1 0 310.235 3.462 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)NCc1ccc(COC)cc1 ZINC000150746062 432188683 /nfs/dbraw/zinc/18/86/83/432188683.db2.gz NMCFVFYPYDOWFJ-GOSISDBHSA-N 1 0 318.461 3.104 10 0 DGAERO CCn1cc([C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CCO2)cn1 ZINC000190791496 432189708 /nfs/dbraw/zinc/18/97/08/432189708.db2.gz LIKJLHDIPPEFKG-MOPGFXCFSA-N 1 0 311.429 3.354 10 0 DGAERO C[N@@H+](Cc1ccc(Cl)nc1)C[C@H](O)CCc1ccccc1 ZINC000182441692 432191239 /nfs/dbraw/zinc/19/12/39/432191239.db2.gz IJIFSZPKIYJRGY-MRXNPFEDSA-N 1 0 304.821 3.161 10 0 DGAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000247026568 432191220 /nfs/dbraw/zinc/19/12/20/432191220.db2.gz QVZCKZKBHYFDBV-PKOBYXMFSA-N 1 0 314.473 3.342 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1cccs1 ZINC000246940768 432183233 /nfs/dbraw/zinc/18/32/33/432183233.db2.gz KSSFKDSVUCLXCF-GJZGRUSLSA-N 1 0 306.475 3.156 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000172168773 432199561 /nfs/dbraw/zinc/19/95/61/432199561.db2.gz NWDMTYWCCWXYIQ-QWHCGFSZSA-N 1 0 302.418 3.385 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000247026012 432193013 /nfs/dbraw/zinc/19/30/13/432193013.db2.gz GEWJQPDOAZUMJW-IEBWSBKVSA-N 1 0 305.462 3.216 10 0 DGAERO CCC(CC)c1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)on1 ZINC000247034566 432193441 /nfs/dbraw/zinc/19/34/41/432193441.db2.gz HVRKJBSIHDETAR-DOMZBBRYSA-N 1 0 307.438 3.037 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000247048729 432195252 /nfs/dbraw/zinc/19/52/52/432195252.db2.gz MBMZGSQJGIAKON-VYOUMLOHSA-N 1 0 305.418 3.312 10 0 DGAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000130525567 196086953 /nfs/dbraw/zinc/08/69/53/196086953.db2.gz FHKMSCWBBCSOJY-AWEZNQCLSA-N 1 0 323.506 3.314 10 0 DGAERO COC(=O)c1cccc(OCC[NH2+][C@H](C)c2cccs2)c1 ZINC000182545458 432202834 /nfs/dbraw/zinc/20/28/34/432202834.db2.gz PDTMNPLEXWIZMP-GFCCVEGCSA-N 1 0 305.399 3.264 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)CC2 ZINC000150932111 432203270 /nfs/dbraw/zinc/20/32/70/432203270.db2.gz NAWSLZYQEIGQKA-SFHVURJKSA-N 1 0 300.446 3.219 10 0 DGAERO COC(=O)c1cccc(OCC[NH2+][C@@H](C)c2cccs2)c1 ZINC000182545441 432203400 /nfs/dbraw/zinc/20/34/00/432203400.db2.gz PDTMNPLEXWIZMP-LBPRGKRZSA-N 1 0 305.399 3.264 10 0 DGAERO CCCc1nc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000247152422 432207287 /nfs/dbraw/zinc/20/72/87/432207287.db2.gz AEHHDHRINHVQHO-TZMCWYRMSA-N 1 0 323.506 3.206 10 0 DGAERO CCCc1noc(C[N@@H+]2C[C@H](c3ccc(OC)cc3)C[C@H]2C)n1 ZINC000247152056 432207837 /nfs/dbraw/zinc/20/78/37/432207837.db2.gz RXQCHXSJZQVXPQ-UKRRQHHQSA-N 1 0 315.417 3.409 10 0 DGAERO CCn1c(C)nnc1C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000172329186 432208395 /nfs/dbraw/zinc/20/83/95/432208395.db2.gz JCQOKLPZVHXVQZ-SWLSCSKDSA-N 1 0 302.397 3.124 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)CCCc1ccc(F)c(F)c1 ZINC000150978913 432208601 /nfs/dbraw/zinc/20/86/01/432208601.db2.gz KTRMBUZEZVNAAU-ZDUSSCGKSA-N 1 0 312.404 3.134 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(c3ccccc3)C(=O)O2)o1 ZINC000182598892 432209034 /nfs/dbraw/zinc/20/90/34/432209034.db2.gz IBSUBAVLJKAGHI-HIFRSBDPSA-N 1 0 300.358 3.264 10 0 DGAERO CS[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247216163 432210909 /nfs/dbraw/zinc/21/09/09/432210909.db2.gz CKHZDTWTAHDBBA-BPUTZDHNSA-N 1 0 306.475 3.032 10 0 DGAERO CC(C)[C@H](C)CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000172380448 432210932 /nfs/dbraw/zinc/21/09/32/432210932.db2.gz ZWZDCJMUFVIERO-OAHLLOKOSA-N 1 0 309.498 3.232 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@](C)(O)c1ccccc1 ZINC000247206250 432211926 /nfs/dbraw/zinc/21/19/26/432211926.db2.gz PHEYNZDOHOAIJZ-IEBWSBKVSA-N 1 0 313.445 3.082 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247221131 432212648 /nfs/dbraw/zinc/21/26/48/432212648.db2.gz RFIKCTPTIJQXOH-ZBFHGGJFSA-N 1 0 314.433 3.247 10 0 DGAERO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247224340 432213796 /nfs/dbraw/zinc/21/37/96/432213796.db2.gz NGKLDFWXTRGLIT-VQIMIIECSA-N 1 0 323.440 3.030 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1Cl ZINC000247240625 432214433 /nfs/dbraw/zinc/21/44/33/432214433.db2.gz DLZOEESPIMZMKE-OLZOCXBDSA-N 1 0 307.825 3.431 10 0 DGAERO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC(C)(C)C)C1 ZINC000172224362 432203964 /nfs/dbraw/zinc/20/39/64/432203964.db2.gz JOABNKBJSNFOHT-HOTGVXAUSA-N 1 0 309.498 3.329 10 0 DGAERO CCc1nc(C)c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)s1 ZINC000247135935 432206414 /nfs/dbraw/zinc/20/64/14/432206414.db2.gz AVGFGGIQGZHUGS-JMPLFQLZSA-N 1 0 302.443 3.323 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2SC(C)C)C1 ZINC000172621517 432225456 /nfs/dbraw/zinc/22/54/56/432225456.db2.gz YWPSQLZQHFUMBA-CQSZACIVSA-N 1 0 306.475 3.401 10 0 DGAERO Cc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H](C(N)=O)C3)o2)cc1 ZINC000172633608 432225585 /nfs/dbraw/zinc/22/55/85/432225585.db2.gz ISWJAYSPEHVIBV-HOTGVXAUSA-N 1 0 312.413 3.389 10 0 DGAERO C[C@H](NC(=O)NCCC1=CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182767876 432227135 /nfs/dbraw/zinc/22/71/35/432227135.db2.gz WBNUGRUHDZODTD-RDJZCZTQSA-N 1 0 319.493 3.439 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccccc1OCC(F)(F)F ZINC000191146315 432227332 /nfs/dbraw/zinc/22/73/32/432227332.db2.gz GEXKLJKADAACRC-RYUDHWBXSA-N 1 0 317.351 3.361 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247402654 432227387 /nfs/dbraw/zinc/22/73/87/432227387.db2.gz XNTNBNUVKUKWLI-OCCSQVGLSA-N 1 0 307.825 3.349 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000247386839 432227461 /nfs/dbraw/zinc/22/74/61/432227461.db2.gz QDMQALFYTSMJLW-IINYFYTJSA-N 1 0 315.244 3.452 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOc1ccc(Cl)c(F)c1 ZINC000191148606 432227703 /nfs/dbraw/zinc/22/77/03/432227703.db2.gz YAMHELLTADMFGU-GHMZBOCLSA-N 1 0 301.789 3.092 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC2(C)CCC2)C1 ZINC000247256428 432216688 /nfs/dbraw/zinc/21/66/88/432216688.db2.gz UYKJUHFXKBXHHG-IAGOWNOFSA-N 1 0 321.509 3.473 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)C1(CC)CC ZINC000191073315 432217670 /nfs/dbraw/zinc/21/76/70/432217670.db2.gz VVMBEZGBLLPPQQ-GJZGRUSLSA-N 1 0 320.481 3.156 10 0 DGAERO COc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247283993 432218694 /nfs/dbraw/zinc/21/86/94/432218694.db2.gz YSUWURWXPDGAPQ-YJBOKZPZSA-N 1 0 300.446 3.144 10 0 DGAERO CCOc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000151107461 432218821 /nfs/dbraw/zinc/21/88/21/432218821.db2.gz CPONDTJFNAOREE-KRWDZBQOSA-N 1 0 311.429 3.414 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2ccc(Br)o2)s1 ZINC000191086364 432219334 /nfs/dbraw/zinc/21/93/34/432219334.db2.gz UATDTWJOIDJUAN-UHFFFAOYSA-N 1 0 315.236 3.482 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc21 ZINC000247344869 432223148 /nfs/dbraw/zinc/22/31/48/432223148.db2.gz JIVFLQVKSZCWHJ-GXTWGEPZSA-N 1 0 317.408 3.170 10 0 DGAERO Cc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1F ZINC000151142431 432223649 /nfs/dbraw/zinc/22/36/49/432223649.db2.gz GWDZCISWMARMLS-WDEREUQCSA-N 1 0 310.800 3.143 10 0 DGAERO CCCN1Cc2cccc(NC(=O)[C@@H]3CCCO[C@@H]3C)c2C1 ZINC000191125206 432224327 /nfs/dbraw/zinc/22/43/27/432224327.db2.gz YXTQXECPIRRHPN-UKRRQHHQSA-N 1 0 302.418 3.166 10 0 DGAERO [NH3+]C1CCC(NC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000131841702 196203763 /nfs/dbraw/zinc/20/37/63/196203763.db2.gz GDNKQHSHXCRYCZ-UHFFFAOYSA-N 1 0 324.424 3.265 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)CCCO2 ZINC000132096124 196225444 /nfs/dbraw/zinc/22/54/44/196225444.db2.gz SSIONNJWYVAAQW-HKUYNNGSSA-N 1 0 311.425 3.402 10 0 DGAERO Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H](Cn3cncn3)C1)CCC2 ZINC000132880377 196292900 /nfs/dbraw/zinc/29/29/00/196292900.db2.gz SNGSRSGJALQSRR-KSSFIOAISA-N 1 0 314.408 3.207 10 0 DGAERO CCc1onc(C)c1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000132934971 196297708 /nfs/dbraw/zinc/29/77/08/196297708.db2.gz YHCDLJORZZAMGA-BETUJISGSA-N 1 0 321.465 3.032 10 0 DGAERO C[C@H](C[NH2+]Cc1cccnc1-n1ccnc1)Cc1ccccc1 ZINC000132972784 196301293 /nfs/dbraw/zinc/30/12/93/196301293.db2.gz AZDLPDNOGOJXQP-INIZCTEOSA-N 1 0 306.413 3.236 10 0 DGAERO C[NH2+][C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 ZINC000133883799 196342661 /nfs/dbraw/zinc/34/26/61/196342661.db2.gz AKRLUVSMDCLWKH-SFHVURJKSA-N 1 0 324.424 3.090 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000134239028 196372480 /nfs/dbraw/zinc/37/24/80/196372480.db2.gz NRPBWGWPXXMKST-QPUJVOFHSA-N 1 0 304.615 3.370 10 0 DGAERO CC(C)C[C@H](C[NH3+])Nc1ccnc2cc(Br)cnc21 ZINC000135530128 196484411 /nfs/dbraw/zinc/48/44/11/196484411.db2.gz LNBGVYNNWGJOOK-LLVKDONJSA-N 1 0 323.238 3.178 10 0 DGAERO c1cc(N2CCCC2)ncc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136688633 196548242 /nfs/dbraw/zinc/54/82/42/196548242.db2.gz AYYFOSYRQCEXGB-KRWDZBQOSA-N 1 0 315.461 3.263 10 0 DGAERO O=C(c1cc(F)cc(F)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107528212 304495482 /nfs/dbraw/zinc/49/54/82/304495482.db2.gz LCMLWSRYSQGTLH-MRXNPFEDSA-N 1 0 308.372 3.055 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000175173432 228297703 /nfs/dbraw/zinc/29/77/03/228297703.db2.gz JKRQKFYHHUFZAF-QUCCMNQESA-N 1 0 310.441 3.005 10 0 DGAERO Cc1ccc(N2CCC[N@H+](CCCc3ccccc3C)CC2)nn1 ZINC000175904570 228306701 /nfs/dbraw/zinc/30/67/01/228306701.db2.gz LHOOQYATUYRTKV-UHFFFAOYSA-N 1 0 324.472 3.238 10 0 DGAERO Cc1ccccc1CCC[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000175904672 228307179 /nfs/dbraw/zinc/30/71/79/228307179.db2.gz VRVYJRQNOHLEEM-IBGZPJMESA-N 1 0 324.472 3.318 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)cc1F ZINC000176274006 228310754 /nfs/dbraw/zinc/31/07/54/228310754.db2.gz BELDHNAFHFNMQW-CABCVRRESA-N 1 0 314.404 3.490 10 0 DGAERO C[C@H]([N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1)C1(C)CC1 ZINC000177231561 228328008 /nfs/dbraw/zinc/32/80/08/228328008.db2.gz VXLOUHHBRZCDNS-BBRMVZONSA-N 1 0 311.853 3.338 10 0 DGAERO O=C(NCCC1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178860937 228347640 /nfs/dbraw/zinc/34/76/40/228347640.db2.gz XFCBDTVZKFMRCY-SJLPKXTDSA-N 1 0 319.493 3.225 10 0 DGAERO c1cn(CCC[NH2+]CC(c2ccccc2)c2ccccc2)nn1 ZINC000184250303 228381275 /nfs/dbraw/zinc/38/12/75/228381275.db2.gz XLFOONLOZHSIRO-UHFFFAOYSA-N 1 0 306.413 3.090 10 0 DGAERO CC[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1nccs1 ZINC000130424616 292634601 /nfs/dbraw/zinc/63/46/01/292634601.db2.gz PZLGNLJQIRUPMI-KBPBESRZSA-N 1 0 309.479 3.221 10 0 DGAERO CCC[C@H](O)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000131079462 292646647 /nfs/dbraw/zinc/64/66/47/292646647.db2.gz LAXSZOSALUWECD-JSGCOSHPSA-N 1 0 301.377 3.360 10 0 DGAERO CCc1nncn1CCNc1c2ccccc2[nH+]c(C)c1CC ZINC000302076972 230084396 /nfs/dbraw/zinc/08/43/96/230084396.db2.gz YNCHPVIOUUIXPP-UHFFFAOYSA-N 1 0 309.417 3.372 10 0 DGAERO CC(C)(C)C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000036125491 263512263 /nfs/dbraw/zinc/51/22/63/263512263.db2.gz FYDJXJLOVBGFQR-UHFFFAOYSA-N 1 0 308.853 3.073 10 0 DGAERO O[C@@H](CNC1c2ccccc2-c2ccccc21)C[NH+]1CCCCC1 ZINC000183714097 263601421 /nfs/dbraw/zinc/60/14/21/263601421.db2.gz QWXUDODNRBHSTE-INIZCTEOSA-N 1 0 322.452 3.193 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000186860385 263665398 /nfs/dbraw/zinc/66/53/98/263665398.db2.gz WPLMMVZSPVCXRU-OWCLPIDISA-N 1 0 303.512 3.252 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191892403 263769936 /nfs/dbraw/zinc/76/99/36/263769936.db2.gz BZALRDRGIKDUGM-SJORKVTESA-N 1 0 302.462 3.292 10 0 DGAERO COCCO[C@H]1CCCN(c2c(C)c[nH+]c3c(C)cccc32)C1 ZINC000193565590 263796163 /nfs/dbraw/zinc/79/61/63/263796163.db2.gz JRDGBWYJZNRYQL-INIZCTEOSA-N 1 0 314.429 3.483 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000235485497 263845682 /nfs/dbraw/zinc/84/56/82/263845682.db2.gz RVJOMEBOHLLCKU-ZLDLUXBVSA-N 1 0 312.251 3.131 10 0 DGAERO CCC[C@@H]([NH2+]Cc1c(Br)cnn1C)C1CCC1 ZINC000324858134 263905481 /nfs/dbraw/zinc/90/54/81/263905481.db2.gz ZRTDOJSDLYVIES-GFCCVEGCSA-N 1 0 300.244 3.241 10 0 DGAERO C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CC1(C)C ZINC000352604786 265101639 /nfs/dbraw/zinc/10/16/39/265101639.db2.gz CARIBBCHQNSLQV-JQWIXIFHSA-N 1 0 300.244 3.060 10 0 DGAERO C[N@H+](Cc1ccc(Br)cc1Cl)[C@@H]1CCC[C@@H]1O ZINC000352669650 265122344 /nfs/dbraw/zinc/12/23/44/265122344.db2.gz BJNVYRLQUHNRHP-OLZOCXBDSA-N 1 0 318.642 3.448 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(F)cc1Br ZINC000352912058 265226398 /nfs/dbraw/zinc/22/63/98/265226398.db2.gz MHGYLKYUQQMDBS-ZDUSSCGKSA-N 1 0 304.203 3.085 10 0 DGAERO c1c[nH]c(C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)n1 ZINC000352949364 265242373 /nfs/dbraw/zinc/24/23/73/265242373.db2.gz XAALJIUZMKSBDY-UHFFFAOYSA-N 1 0 307.401 3.179 10 0 DGAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc2cccnc21 ZINC000191167348 432230002 /nfs/dbraw/zinc/23/00/02/432230002.db2.gz AARVANFACHITNH-HFTRVMKXSA-N 1 0 310.397 3.008 10 0 DGAERO COc1ccc(-c2cnc(C[NH+]3[C@H](C)CC(O)C[C@H]3C)o2)cc1 ZINC000191175877 432230259 /nfs/dbraw/zinc/23/02/59/432230259.db2.gz YJQMIUJTQKPXLR-CHWSQXEVSA-N 1 0 316.401 3.084 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000355225383 266005972 /nfs/dbraw/zinc/00/59/72/266005972.db2.gz RJZZIFUSCUDNFJ-IRXDYDNUSA-N 1 0 311.429 3.325 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(Br)cn1 ZINC000355488243 266090396 /nfs/dbraw/zinc/09/03/96/266090396.db2.gz UTIGXZUIQROQCS-WOPDTQHZSA-N 1 0 313.239 3.310 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000355560289 266115985 /nfs/dbraw/zinc/11/59/85/266115985.db2.gz UTPQYACMTGHCJC-MRXNPFEDSA-N 1 0 302.418 3.401 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247462710 432232338 /nfs/dbraw/zinc/23/23/38/432232338.db2.gz UNDKKJJYOXGXBW-AEFFLSMTSA-N 1 0 302.462 3.163 10 0 DGAERO Cc1nc2ccccc2cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247475876 432233593 /nfs/dbraw/zinc/23/35/93/432233593.db2.gz SHQJLJNWJINLFJ-BBRMVZONSA-N 1 0 311.429 3.098 10 0 DGAERO Cc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c(C)n1C(C)C ZINC000247523876 432237236 /nfs/dbraw/zinc/23/72/36/432237236.db2.gz ZHLGATMEHVRMMH-DYVFJYSZSA-N 1 0 305.466 3.144 10 0 DGAERO CCc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3OC)C2)o1 ZINC000151334155 432238101 /nfs/dbraw/zinc/23/81/01/432238101.db2.gz KBMBEOKEQKNLDJ-CQSZACIVSA-N 1 0 300.402 3.219 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247538564 432239188 /nfs/dbraw/zinc/23/91/88/432239188.db2.gz XWDQMTZOJDPWNA-XJKSGUPXSA-N 1 0 308.853 3.071 10 0 DGAERO C[C@H](N[C@@H](CO)c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000182894330 432239946 /nfs/dbraw/zinc/23/99/46/432239946.db2.gz RYDRUGOPOWCWDV-BBRMVZONSA-N 1 0 309.369 3.121 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(-c2ccccc2)s1 ZINC000247531322 432240051 /nfs/dbraw/zinc/24/00/51/432240051.db2.gz XNJIJUUFBZOLRM-HOCLYGCPSA-N 1 0 313.470 3.479 10 0 DGAERO Cc1ccc(-c2cc(C[NH+]3[C@H](C)CC(O)C[C@H]3C)on2)cc1 ZINC000191254621 432241536 /nfs/dbraw/zinc/24/15/36/432241536.db2.gz ALJJTQRAYRTJQJ-ZIAGYGMSSA-N 1 0 300.402 3.384 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(C)c1 ZINC000247559883 432242003 /nfs/dbraw/zinc/24/20/03/432242003.db2.gz KVCIFPMUDKZKDW-GJZGRUSLSA-N 1 0 306.837 3.347 10 0 DGAERO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccn1C ZINC000182940267 432243892 /nfs/dbraw/zinc/24/38/92/432243892.db2.gz VHSIMMCLBJHGHD-BPIHKTFHSA-N 1 0 324.472 3.266 10 0 DGAERO CC[NH+](CC)CCNC(=O)c1ncoc1-c1ccccc1Cl ZINC000172911687 432245006 /nfs/dbraw/zinc/24/50/06/432245006.db2.gz FIMOAHDIIUVKIU-UHFFFAOYSA-N 1 0 321.808 3.067 10 0 DGAERO C[C@H]1C[N@@H+](C2CCN(C(=O)C3CCCCCCC3)CC2)CCO1 ZINC000172913570 432245850 /nfs/dbraw/zinc/24/58/50/432245850.db2.gz YDSLVZJAMCZHLY-INIZCTEOSA-N 1 0 322.493 3.059 10 0 DGAERO O=C(C[C@@H]1CCC[N@@H+]1CCCn1ccnc1)c1ccc(F)cc1 ZINC000182968762 432247357 /nfs/dbraw/zinc/24/73/57/432247357.db2.gz FSRMRIFMGGDREI-KRWDZBQOSA-N 1 0 315.392 3.150 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc(Br)c1 ZINC000367709716 271068871 /nfs/dbraw/zinc/06/88/71/271068871.db2.gz UJAJYMXTOVKLSC-XQLPTFJDSA-N 1 0 310.235 3.382 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000368098591 271134862 /nfs/dbraw/zinc/13/48/62/271134862.db2.gz BWCPKDUXLSJDDA-SJCJKPOMSA-N 1 0 306.413 3.416 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000368874587 271217661 /nfs/dbraw/zinc/21/76/61/271217661.db2.gz HCYMLHMSBMCKQB-LFIBNONCSA-N 1 0 304.397 3.460 10 0 DGAERO Cc1nnc([C@H]2CC23CC[NH+](Cc2ccc(C)nc2C)CC3)o1 ZINC000368999682 271230914 /nfs/dbraw/zinc/23/09/14/271230914.db2.gz FSIPHQMPMSXONM-MRXNPFEDSA-N 1 0 312.417 3.160 10 0 DGAERO c1cc([C@H]2CCC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)ncn1 ZINC000369175382 271248292 /nfs/dbraw/zinc/24/82/92/271248292.db2.gz VXBWMYKQPKGKAL-SFHVURJKSA-N 1 0 323.440 3.224 10 0 DGAERO C[N@H+](Cc1ccc(Br)o1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000247879097 432252045 /nfs/dbraw/zinc/25/20/45/432252045.db2.gz ZLSZMAGSQPJDMV-UKRRQHHQSA-N 1 0 322.202 3.132 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Cl)cc3F)CC[C@H]21 ZINC000247948643 432253585 /nfs/dbraw/zinc/25/35/85/432253585.db2.gz DUSOOZLKEYYKGU-IAQYHMDHSA-N 1 0 310.800 3.035 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247939768 432254995 /nfs/dbraw/zinc/25/49/95/432254995.db2.gz CWONLZCOUCEJOI-QRQLOZEOSA-N 1 0 319.493 3.087 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1c1ccccc1 ZINC000247965436 432256717 /nfs/dbraw/zinc/25/67/17/432256717.db2.gz DPDRYPNVKQUYMS-SWLSCSKDSA-N 1 0 304.777 3.108 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cc1OC ZINC000247962956 432256831 /nfs/dbraw/zinc/25/68/31/432256831.db2.gz GMAFAUQUFQEAQE-OFQRWUPVSA-N 1 0 307.434 3.214 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000247972794 432256949 /nfs/dbraw/zinc/25/69/49/432256949.db2.gz HNBPBKDPFTWHPS-POZUXBRTSA-N 1 0 313.445 3.382 10 0 DGAERO C[NH+]1CCN(c2[nH]c3cccc4c3c2-c2ccccc2C4=O)CC1 ZINC000096336460 273899153 /nfs/dbraw/zinc/89/91/53/273899153.db2.gz PPRNBJKRRQZMCW-UHFFFAOYSA-N 1 0 317.392 3.131 10 0 DGAERO COc1c(C)cnc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C ZINC000470958438 274089054 /nfs/dbraw/zinc/08/90/54/274089054.db2.gz HMOUQRDRYFDLNS-RYUDHWBXSA-N 1 0 302.340 3.480 10 0 DGAERO C[C@@H](C1CC1)[N@H+](Cc1ccc2c(c1)sc(=O)n2C)C1CC1 ZINC000194990386 274205248 /nfs/dbraw/zinc/20/52/48/274205248.db2.gz NCHOFCZGHLXYCO-NSHDSACASA-N 1 0 302.443 3.363 10 0 DGAERO C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000249355444 274347263 /nfs/dbraw/zinc/34/72/63/274347263.db2.gz LBBSVLHZOMPEFF-APWZRJJASA-N 1 0 320.452 3.464 10 0 DGAERO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000245586025 274349214 /nfs/dbraw/zinc/34/92/14/274349214.db2.gz DXGPIJXWBCJNQF-JLSDUUJJSA-N 1 0 306.425 3.072 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000278493879 274379857 /nfs/dbraw/zinc/37/98/57/274379857.db2.gz LDUWMHMHNSDCIN-RLCCDNCMSA-N 1 0 324.262 3.321 10 0 DGAERO COc1ccc(OC)c([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000247976911 432258848 /nfs/dbraw/zinc/25/88/48/432258848.db2.gz LILGJNYEXRLHGH-JKIFEVAISA-N 1 0 306.450 3.083 10 0 DGAERO CCc1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)o2)cc1 ZINC000173098555 432258833 /nfs/dbraw/zinc/25/88/33/432258833.db2.gz WTJKJGHNBSIATN-QGZVFWFLSA-N 1 0 324.424 3.429 10 0 DGAERO C[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)[C@H](C[NH3+])C1 ZINC000261650952 274563972 /nfs/dbraw/zinc/56/39/72/274563972.db2.gz RXENCUYTTDQUEY-WPRPVWTQSA-N 1 0 307.747 3.317 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000070577930 274753292 /nfs/dbraw/zinc/75/32/92/274753292.db2.gz QACWCUDDYCORJB-QWRGUYRKSA-N 1 0 300.324 3.470 10 0 DGAERO Clc1cc2c(cc1C[NH2+][C@H]1COc3ccccc3C1)OCO2 ZINC000020542775 274880580 /nfs/dbraw/zinc/88/05/80/274880580.db2.gz WFCITCAAZYXKCP-CYBMUJFWSA-N 1 0 317.772 3.162 10 0 DGAERO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccc(Cl)cc21 ZINC000178091625 275006970 /nfs/dbraw/zinc/00/69/70/275006970.db2.gz QOROPTYUSRVNAT-SNPRPXQTSA-N 1 0 304.821 3.150 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000223131443 275053503 /nfs/dbraw/zinc/05/35/03/275053503.db2.gz IMORKCABUXHATB-VCTAVGKDSA-N 1 0 310.235 3.187 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000437526774 275067834 /nfs/dbraw/zinc/06/78/34/275067834.db2.gz JNMMQQHXYCEYBX-QZTJIDSGSA-N 1 0 321.486 3.442 10 0 DGAERO c1nn(-c2ccccn2)c2c1[C@H]([NH2+]CCc1ccccc1)CCC2 ZINC000012208127 275077662 /nfs/dbraw/zinc/07/76/62/275077662.db2.gz LDIXRCJOZFECEQ-GOSISDBHSA-N 1 0 318.424 3.477 10 0 DGAERO Brc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCCOC1 ZINC000268838898 275375221 /nfs/dbraw/zinc/37/52/21/275375221.db2.gz CDWOKPFRKBIZTK-ZWNOBZJWSA-N 1 0 312.207 3.041 10 0 DGAERO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc[nH]c1 ZINC000282167862 275375230 /nfs/dbraw/zinc/37/52/30/275375230.db2.gz YGMUNFGNNHFHBB-ZDUSSCGKSA-N 1 0 307.191 3.391 10 0 DGAERO CC(C)(C)OC(=O)N1CCCc2ccc(C(C)(C)C[NH3+])nc21 ZINC000091692666 275519862 /nfs/dbraw/zinc/51/98/62/275519862.db2.gz PKKUCTHOLPQREZ-UHFFFAOYSA-N 1 0 305.422 3.006 10 0 DGAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000228931998 275655608 /nfs/dbraw/zinc/65/56/08/275655608.db2.gz OTDRXRZOAQSPBN-GHMZBOCLSA-N 1 0 302.340 3.269 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1CCCc3ccccc31)CC2 ZINC000171981178 275776647 /nfs/dbraw/zinc/77/66/47/275776647.db2.gz BCCSBDAPKUFEGC-RDJZCZTQSA-N 1 0 310.445 3.384 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1CCc3cc(F)ccc31)CC2 ZINC000180533469 275776930 /nfs/dbraw/zinc/77/69/30/275776930.db2.gz HJFFULDIKCSFDF-HOCLYGCPSA-N 1 0 314.408 3.133 10 0 DGAERO CCC(C)(CC)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000177870355 276207895 /nfs/dbraw/zinc/20/78/95/276207895.db2.gz TYIRTJHJJYRTJT-AWEZNQCLSA-N 1 0 307.438 3.294 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCc3occc32)[C@H](C)C1 ZINC000246564020 276222859 /nfs/dbraw/zinc/22/28/59/276222859.db2.gz YCTYHQCYWDCGPH-KBMXLJTQSA-N 1 0 319.449 3.029 10 0 DGAERO CCC[N@@H+](Cc1cnc2ccc(C)cn12)C[C@@H]1CCCCO1 ZINC000093132546 276256487 /nfs/dbraw/zinc/25/64/87/276256487.db2.gz REEWWHJTIFYDBM-KRWDZBQOSA-N 1 0 301.434 3.424 10 0 DGAERO CCC[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000248573921 276277888 /nfs/dbraw/zinc/27/78/88/276277888.db2.gz OVLVSMLKHJFKDU-KZNAEPCWSA-N 1 0 322.493 3.059 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000046279187 276338514 /nfs/dbraw/zinc/33/85/14/276338514.db2.gz LKVARFMLOJOBRQ-ZIAGYGMSSA-N 1 0 309.429 3.258 10 0 DGAERO CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000175098109 276341589 /nfs/dbraw/zinc/34/15/89/276341589.db2.gz MMQOFQMBAXDATI-CRAIPNDOSA-N 1 0 317.477 3.088 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C12CCOCC2 ZINC000186207735 276346848 /nfs/dbraw/zinc/34/68/48/276346848.db2.gz JBDPNWOFKCMQEK-GUDVDZBRSA-N 1 0 315.457 3.108 10 0 DGAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000246570338 276516403 /nfs/dbraw/zinc/51/64/03/276516403.db2.gz XXRCCDSFCOWPAD-QBPKDAKJSA-N 1 0 302.466 3.250 10 0 DGAERO c1[nH+]cn2cc(CNc3nccn4nc(C5CCC5)cc34)ccc12 ZINC000631305161 429983221 /nfs/dbraw/zinc/98/32/21/429983221.db2.gz AIBGKUZHBFGVAR-UHFFFAOYSA-N 1 0 318.384 3.257 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000194736837 277079468 /nfs/dbraw/zinc/07/94/68/277079468.db2.gz DXZZTQWAHSHUKV-AWEZNQCLSA-N 1 0 322.408 3.135 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000246752589 277157238 /nfs/dbraw/zinc/15/72/38/277157238.db2.gz PRWUVHFRKPALQJ-XMTFNYHQSA-N 1 0 304.478 3.146 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)CCc2ccsc2)[C@@H]1c1ccccc1 ZINC000180129885 277165152 /nfs/dbraw/zinc/16/51/52/277165152.db2.gz UDGJYHXIKYDYRF-WMZOPIPTSA-N 1 0 314.454 3.242 10 0 DGAERO CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128962342 277174808 /nfs/dbraw/zinc/17/48/08/277174808.db2.gz BZUUJWDNKHQVLY-HOTGVXAUSA-N 1 0 321.465 3.468 10 0 DGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)CC2)cc1 ZINC000188026293 277291606 /nfs/dbraw/zinc/29/16/06/277291606.db2.gz CQJFELNBXHKCKX-IJEWVQPXSA-N 1 0 324.490 3.214 10 0 DGAERO COc1c(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c(C)nn1C ZINC000157020251 277363733 /nfs/dbraw/zinc/36/37/33/277363733.db2.gz QLRVHRVQXFJOBE-KRWDZBQOSA-N 1 0 314.433 3.249 10 0 DGAERO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[C@@H]3OCC[C@@H]31)C2 ZINC000249104469 277461402 /nfs/dbraw/zinc/46/14/02/277461402.db2.gz VCUZJSFIFDJDKP-WFEDQXDTSA-N 1 0 301.430 3.100 10 0 DGAERO CC(C)N(C(=O)C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000195410571 277522279 /nfs/dbraw/zinc/52/22/79/277522279.db2.gz SYJIJASDBRMGGU-UHFFFAOYSA-N 1 0 304.409 3.442 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000172170380 277625801 /nfs/dbraw/zinc/62/58/01/277625801.db2.gz MQJQAAKHZQZHRD-JKIFEVAISA-N 1 0 316.445 3.183 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1OC ZINC000247022764 277932137 /nfs/dbraw/zinc/93/21/37/277932137.db2.gz KWBSSVZLVZKRDA-XZDPQHSOSA-N 1 0 305.418 3.312 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000195084633 277941706 /nfs/dbraw/zinc/94/17/06/277941706.db2.gz KNGXJYBBSKIZSC-VJUNAUMWSA-N 1 0 308.853 3.100 10 0 DGAERO CC(=O)N1CCC[N@@H+](C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000474106154 278003078 /nfs/dbraw/zinc/00/30/78/278003078.db2.gz SGJKBCXWLBLQNP-IBGZPJMESA-N 1 0 302.462 3.371 10 0 DGAERO CC(=O)N1CC[N@@H+](C[C@H](CC(C)C)c2ccccc2)[C@H](C)C1 ZINC000474281826 278041695 /nfs/dbraw/zinc/04/16/95/278041695.db2.gz FFWODEJMIFVFCE-APWZRJJASA-N 1 0 302.462 3.369 10 0 DGAERO CSCCCC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000118985426 278128236 /nfs/dbraw/zinc/12/82/36/278128236.db2.gz XOKJBUSDRAHSQD-OAHLLOKOSA-N 1 0 304.459 3.141 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000247236744 278210219 /nfs/dbraw/zinc/21/02/19/278210219.db2.gz XGXQMQPFIKPZKV-DUOKCRBOSA-N 1 0 302.418 3.253 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1cccc(Cl)c1 ZINC000126200072 278362023 /nfs/dbraw/zinc/36/20/23/278362023.db2.gz DKPPGPJSFIIOOU-ZJUUUORDSA-N 1 0 309.822 3.474 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1Cc1ccc(Cl)cc1 ZINC000071668870 278401091 /nfs/dbraw/zinc/40/10/91/278401091.db2.gz ZDDFJXPOPQRIOR-CQSZACIVSA-N 1 0 310.825 3.091 10 0 DGAERO C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1c1ccccc1 ZINC000183587199 288057676 /nfs/dbraw/zinc/05/76/76/288057676.db2.gz FCIMYBVQXXPFDB-WBVHZDCISA-N 1 0 323.440 3.413 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000247255314 278606506 /nfs/dbraw/zinc/60/65/06/278606506.db2.gz NSIBNQVLBBMEHV-VYDXJSESSA-N 1 0 307.482 3.081 10 0 DGAERO Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CCCCC[C@H]3O)cc12 ZINC000287113344 279211290 /nfs/dbraw/zinc/21/12/90/279211290.db2.gz QPUGMBBTQUMMJU-IACUBPJLSA-N 1 0 307.463 3.287 10 0 DGAERO Cc1sc2nc(C)nc(N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2c1C ZINC000262578519 279286084 /nfs/dbraw/zinc/28/60/84/279286084.db2.gz YOWXGPJFNFDBEX-MELADBBJSA-N 1 0 316.474 3.180 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000127224902 279299729 /nfs/dbraw/zinc/29/97/29/279299729.db2.gz QIENNAUCUXVZFA-QLFBSQMISA-N 1 0 306.475 3.103 10 0 DGAERO C[C@H](CSc1nnc(-c2cccc(Cl)c2)n1C)[NH+](C)C ZINC000479114231 279366151 /nfs/dbraw/zinc/36/61/51/279366151.db2.gz GRSCQUOBZLPSFU-SNVBAGLBSA-N 1 0 310.854 3.178 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000069142849 431164521 /nfs/dbraw/zinc/16/45/21/431164521.db2.gz CWSUWYOFQWVYAR-DYVFJYSZSA-N 1 0 303.427 3.068 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109086204 431168760 /nfs/dbraw/zinc/16/87/60/431168760.db2.gz LCCRUYHEBZSWJV-BPLDGKMQSA-N 1 0 322.399 3.059 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000109073679 431169058 /nfs/dbraw/zinc/16/90/58/431169058.db2.gz GTDVLNXTGSZUMJ-JMPLCFMRSA-N 1 0 310.445 3.409 10 0 DGAERO c1ccc2c(c1)CC[N@@H+](CCCNc1ccnc(C3CC3)n1)C2 ZINC000110128971 431188610 /nfs/dbraw/zinc/18/86/10/431188610.db2.gz UIUXJQOWGYOEEP-UHFFFAOYSA-N 1 0 308.429 3.214 10 0 DGAERO Cc1ccc(CN(C)[C@H]2CCN(c3ccccc3Cl)C2=O)o1 ZINC000111193091 431194343 /nfs/dbraw/zinc/19/43/43/431194343.db2.gz TZUMBQOPUFQHRD-INIZCTEOSA-N 1 0 318.804 3.479 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N1CCc2ccccc2C1 ZINC000172170852 279496126 /nfs/dbraw/zinc/49/61/26/279496126.db2.gz BRMBCAHRZPLQMW-GJZGRUSLSA-N 1 0 300.446 3.128 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)s1 ZINC000111361252 431216686 /nfs/dbraw/zinc/21/66/86/431216686.db2.gz RSDKKVOHRBQQOM-LBPRGKRZSA-N 1 0 309.479 3.058 10 0 DGAERO CC[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111506591 431225745 /nfs/dbraw/zinc/22/57/45/431225745.db2.gz VKMDEUVLHDJKQL-MIGBEJBISA-N 1 0 315.461 3.280 10 0 DGAERO C[C@H]([NH3+])[C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000070173825 431241495 /nfs/dbraw/zinc/24/14/95/431241495.db2.gz FSDCFIDRCLEIOX-NWDGAFQWSA-N 1 0 317.260 3.431 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000112046035 431247179 /nfs/dbraw/zinc/24/71/79/431247179.db2.gz AEWOPYNJYWQEQI-MJGOQNOKSA-N 1 0 314.473 3.342 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112118554 431248951 /nfs/dbraw/zinc/24/89/51/431248951.db2.gz BMWGENCHPPITQT-KRWDZBQOSA-N 1 0 314.473 3.200 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccnn1C)c1cccc(Br)c1 ZINC000071333501 431280120 /nfs/dbraw/zinc/28/01/20/431280120.db2.gz HDABFXFZOYMBJK-CQSZACIVSA-N 1 0 308.223 3.424 10 0 DGAERO CCCC[N@H+](C)CC1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000112552963 431280548 /nfs/dbraw/zinc/28/05/48/431280548.db2.gz BKVUHQPEYHYXAV-UHFFFAOYSA-N 1 0 302.466 3.302 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)CC2 ZINC000112550581 431281095 /nfs/dbraw/zinc/28/10/95/431281095.db2.gz PVPKLWDZRQLJOJ-JQWIXIFHSA-N 1 0 322.815 3.299 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)CC2 ZINC000112550579 431282838 /nfs/dbraw/zinc/28/28/38/431282838.db2.gz PVPKLWDZRQLJOJ-CMPLNLGQSA-N 1 0 322.815 3.299 10 0 DGAERO Cc1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])ccc1F ZINC000071790683 431285624 /nfs/dbraw/zinc/28/56/24/431285624.db2.gz ICOLWTXKPZRXGW-ZFWWWQNUSA-N 1 0 308.397 3.186 10 0 DGAERO Cc1cccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c1C ZINC000071790601 431286054 /nfs/dbraw/zinc/28/60/54/431286054.db2.gz OGMAOOMLKCWPRL-JKSUJKDBSA-N 1 0 304.434 3.355 10 0 DGAERO O[C@](CO[C@@H]1C[NH+]2CCC1CC2)(c1ccccc1)C1CCCC1 ZINC000006116524 431315021 /nfs/dbraw/zinc/31/50/21/431315021.db2.gz GTKRIWMDLNOSLI-WOJBJXKFSA-N 1 0 315.457 3.175 10 0 DGAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000155942150 279634685 /nfs/dbraw/zinc/63/46/85/279634685.db2.gz CUJXGPUSHKIXFO-HOCLYGCPSA-N 1 0 302.466 3.250 10 0 DGAERO C[C@@H]1CCc2sc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cc2C1 ZINC000113223426 431336283 /nfs/dbraw/zinc/33/62/83/431336283.db2.gz YBEDAJGHZYFJFK-IPYPFGDCSA-N 1 0 318.486 3.182 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000113230651 431336381 /nfs/dbraw/zinc/33/63/81/431336381.db2.gz YMKIVKWHPFUWNN-WMLDXEAASA-N 1 0 300.446 3.293 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000072850348 431349656 /nfs/dbraw/zinc/34/96/56/431349656.db2.gz UGJPGRKAQJSYDV-KBPBESRZSA-N 1 0 320.399 3.344 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)CC[C@H]2C)cc1 ZINC000072897049 431354028 /nfs/dbraw/zinc/35/40/28/431354028.db2.gz DAZHXRUTCMRGOE-UONOGXRCSA-N 1 0 302.418 3.338 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000007817249 431364589 /nfs/dbraw/zinc/36/45/89/431364589.db2.gz ZMSNTEXXHBCPPX-MRXNPFEDSA-N 1 0 308.381 3.466 10 0 DGAERO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccc(F)c(F)c1 ZINC000074399745 431420303 /nfs/dbraw/zinc/42/03/03/431420303.db2.gz GNXQMDOSNKKRAV-CHWSQXEVSA-N 1 0 310.388 3.407 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccccc2Cl)cc1 ZINC000008031312 431376262 /nfs/dbraw/zinc/37/62/62/431376262.db2.gz GQPPRZJQALJXOM-OAHLLOKOSA-N 1 0 309.818 3.122 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)N(C)C2CCC2)[NH+]2CCCC2)cc1 ZINC000073918810 431388926 /nfs/dbraw/zinc/38/89/26/431388926.db2.gz XPTURDQEWYDVPD-GOSISDBHSA-N 1 0 315.461 3.326 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114494308 431393669 /nfs/dbraw/zinc/39/36/69/431393669.db2.gz SOCJKMYNSZTCBX-LJQANCHMSA-N 1 0 314.429 3.456 10 0 DGAERO O=c1[nH]c(CC[N@@H+]2CCC[C@]3(CC=CCC3)C2)nc2ccccc21 ZINC000114494908 431395658 /nfs/dbraw/zinc/39/56/58/431395658.db2.gz LUKYTVYKZZCEJP-HXUWFJFHSA-N 1 0 323.440 3.288 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@]3(CC=CCC3)C2)C1 ZINC000114573681 431397845 /nfs/dbraw/zinc/39/78/45/431397845.db2.gz SXRNXKYQKMKNKQ-HKUYNNGSSA-N 1 0 319.493 3.250 10 0 DGAERO CC(C)[C@H](C)NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074832423 431442468 /nfs/dbraw/zinc/44/24/68/431442468.db2.gz XVUTXXNVTQAXKI-WMZOPIPTSA-N 1 0 317.477 3.337 10 0 DGAERO CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@H](C)c1cccnc1 ZINC000115801964 431471527 /nfs/dbraw/zinc/47/15/27/431471527.db2.gz IQMWUUGXJQQMFV-WBVHZDCISA-N 1 0 320.481 3.150 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC=C(c2cccs2)CC1 ZINC000074493192 431426368 /nfs/dbraw/zinc/42/63/68/431426368.db2.gz RBANDHQRAGDPQU-OAHLLOKOSA-N 1 0 319.474 3.031 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC=C(c2cccs2)CC1 ZINC000074493197 431428127 /nfs/dbraw/zinc/42/81/27/431428127.db2.gz RBANDHQRAGDPQU-HNNXBMFYSA-N 1 0 319.474 3.031 10 0 DGAERO CC[NH+]1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000075615977 431490309 /nfs/dbraw/zinc/49/03/09/431490309.db2.gz PCLUBJRJFNDVSC-UHFFFAOYSA-N 1 0 305.809 3.133 10 0 DGAERO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116323475 431502741 /nfs/dbraw/zinc/50/27/41/431502741.db2.gz BCZNBTZSBSPJSY-ZFWWWQNUSA-N 1 0 323.400 3.021 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000116310840 431503679 /nfs/dbraw/zinc/50/36/79/431503679.db2.gz QZUCPRSUSNYHAE-ZDUSSCGKSA-N 1 0 309.335 3.428 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3ccccc3Br)C2)cn1 ZINC000116316683 431503737 /nfs/dbraw/zinc/50/37/37/431503737.db2.gz TUYCBLQVPIGJJM-LBPRGKRZSA-N 1 0 320.234 3.172 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)cn1 ZINC000116322213 431504749 /nfs/dbraw/zinc/50/47/49/431504749.db2.gz VBZOKRNDVBMNGE-OAHLLOKOSA-N 1 0 308.385 3.065 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(F)ccc1Cl ZINC000076526481 431557951 /nfs/dbraw/zinc/55/79/51/431557951.db2.gz AZLYYSFJNDWCGN-LLVKDONJSA-N 1 0 313.804 3.475 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2coc3ccccc23)[C@H](C)C1 ZINC000076479868 431551717 /nfs/dbraw/zinc/55/17/17/431551717.db2.gz XXYRKTYJAHGDDR-CZUORRHYSA-N 1 0 300.402 3.235 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000076485529 431553078 /nfs/dbraw/zinc/55/30/78/431553078.db2.gz OBVDAKNDPZGHCL-GHMZBOCLSA-N 1 0 300.855 3.204 10 0 DGAERO CCOc1cc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)ccc1C ZINC000076489447 431554289 /nfs/dbraw/zinc/55/42/89/431554289.db2.gz HGAMSVLUEZNJCQ-WBVHZDCISA-N 1 0 318.461 3.196 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000150747885 288188380 /nfs/dbraw/zinc/18/83/80/288188380.db2.gz PRZGQNYEPGICDW-INIZCTEOSA-N 1 0 313.449 3.434 10 0 DGAERO C[C@]1(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1(Cl)Cl ZINC000172423824 280144938 /nfs/dbraw/zinc/14/49/38/280144938.db2.gz MZYFQNNPKFQSRH-CQSZACIVSA-N 1 0 319.276 3.047 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000076985990 431568276 /nfs/dbraw/zinc/56/82/76/431568276.db2.gz SRPOLMXLGMKHNF-OALUTQOASA-N 1 0 314.473 3.372 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117762007 431576589 /nfs/dbraw/zinc/57/65/89/431576589.db2.gz GIHHNZMZUPDVQG-DAYGRLMNSA-N 1 0 318.461 3.178 10 0 DGAERO c1cc(COc2ccc(OCC[NH+]3CCCCC3)cc2)no1 ZINC000077239102 431574793 /nfs/dbraw/zinc/57/47/93/431574793.db2.gz CHPFBXSUOJHBMN-UHFFFAOYSA-N 1 0 302.374 3.118 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000077455993 431596165 /nfs/dbraw/zinc/59/61/65/431596165.db2.gz KSHZIAXSNCKDFR-LJQANCHMSA-N 1 0 315.461 3.208 10 0 DGAERO CCN(CC)c1ncc(C[NH2+]C[C@](C)(O)CCC(C)C)s1 ZINC000077455669 431598200 /nfs/dbraw/zinc/59/82/00/431598200.db2.gz MWYMEUXEVNECLI-MRXNPFEDSA-N 1 0 313.511 3.266 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262027964 280410235 /nfs/dbraw/zinc/41/02/35/280410235.db2.gz PCWFUGXBBNUHOQ-VQHPVUNQSA-N 1 0 324.509 3.050 10 0 DGAERO Cc1ccc(-c2nnc([C@@H](C)N3CCC([NH+](C)C)CC3)o2)cc1 ZINC000118000464 431584396 /nfs/dbraw/zinc/58/43/96/431584396.db2.gz DGCHTHSNUZSBGC-CQSZACIVSA-N 1 0 314.433 3.132 10 0 DGAERO Cc1cc(C)cc(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)c1 ZINC000077356712 431588786 /nfs/dbraw/zinc/58/87/86/431588786.db2.gz UXNKALBSKGBMSA-UHFFFAOYSA-N 1 0 304.434 3.131 10 0 DGAERO C[C@H](OCCCNC(=O)C[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000077382914 431590591 /nfs/dbraw/zinc/59/05/91/431590591.db2.gz BNZIFGPVVQFFTI-INIZCTEOSA-N 1 0 318.461 3.145 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCCC2(C)C)cc1 ZINC000077382912 431592472 /nfs/dbraw/zinc/59/24/72/431592472.db2.gz PFGPJGDFONDXFX-QGZVFWFLSA-N 1 0 316.445 3.233 10 0 DGAERO Cc1cccc(C)c1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000119153052 431652296 /nfs/dbraw/zinc/65/22/96/431652296.db2.gz BNKWXVWFEGEGOU-UHFFFAOYSA-N 1 0 314.404 3.434 10 0 DGAERO CSCCCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000077662185 431614843 /nfs/dbraw/zinc/61/48/43/431614843.db2.gz NHEBYYCNTWGKDJ-INIZCTEOSA-N 1 0 323.506 3.040 10 0 DGAERO CN1C[C@H]([NH2+]Cc2cc(-c3ccccc3)cs2)CCC1=O ZINC000077899890 431629278 /nfs/dbraw/zinc/62/92/78/431629278.db2.gz KBOJHIZHYSFYQM-OAHLLOKOSA-N 1 0 300.427 3.126 10 0 DGAERO CCc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)n1C ZINC000119056093 431639245 /nfs/dbraw/zinc/63/92/45/431639245.db2.gz QDNHGIRROSEKBH-IAGOWNOFSA-N 1 0 312.461 3.269 10 0 DGAERO CC(C)[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CCC1 ZINC000119704874 431712983 /nfs/dbraw/zinc/71/29/83/431712983.db2.gz BNAOCEYXSFBHQG-GFCCVEGCSA-N 1 0 306.372 3.050 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000078522677 431677433 /nfs/dbraw/zinc/67/74/33/431677433.db2.gz FJTOROHQVKRNIY-DLBZAZTESA-N 1 0 317.477 3.476 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)NCc1cccs1 ZINC000078586956 431685154 /nfs/dbraw/zinc/68/51/54/431685154.db2.gz CBLBSHHOUZIGIH-GHMZBOCLSA-N 1 0 324.396 3.382 10 0 DGAERO CC[C@H](c1ccncc1)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000119382932 431685986 /nfs/dbraw/zinc/68/59/86/431685986.db2.gz SBTQCAMJLWRDHS-RTBURBONSA-N 1 0 314.429 3.042 10 0 DGAERO C[NH+]1CCC(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000078669427 431694425 /nfs/dbraw/zinc/69/44/25/431694425.db2.gz VYRKFZKSLKDQDX-UHFFFAOYSA-N 1 0 306.409 3.082 10 0 DGAERO c1ncn([C@H]2CCCN(Cc3cnc(C4CCCC4)s3)C2)n1 ZINC000119490667 431697774 /nfs/dbraw/zinc/69/77/74/431697774.db2.gz IMUZPVBTBZBLOG-AWEZNQCLSA-N 1 0 317.462 3.229 10 0 DGAERO C[C@]1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]1 ZINC000079515143 431728983 /nfs/dbraw/zinc/72/89/83/431728983.db2.gz AQGXDWFFBULFJY-SWLSCSKDSA-N 1 0 310.850 3.135 10 0 DGAERO CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170862903 280614775 /nfs/dbraw/zinc/61/47/75/280614775.db2.gz RQGCGEGSEKYAJX-RHSMWYFYSA-N 1 0 303.450 3.217 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](Cc1cnc(C)s1)Cc1ccccc1 ZINC000121107340 431742409 /nfs/dbraw/zinc/74/24/09/431742409.db2.gz FVWRLRUHEBCDKT-CYBMUJFWSA-N 1 0 318.442 3.263 10 0 DGAERO CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1(O)CCOCC1)CCCO2 ZINC000178275884 280629573 /nfs/dbraw/zinc/62/95/73/280629573.db2.gz KTFVRRYNQUAXDA-QGZVFWFLSA-N 1 0 319.445 3.155 10 0 DGAERO Cc1cc2cc(C(=O)N3CCC[N@@H+](C4CC4)CC3)oc2cc1C ZINC000079816744 431748015 /nfs/dbraw/zinc/74/80/15/431748015.db2.gz JZEHKYHZYCIHTQ-UHFFFAOYSA-N 1 0 312.413 3.360 10 0 DGAERO C[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000120135746 431721903 /nfs/dbraw/zinc/72/19/03/431721903.db2.gz MNWNIDCBPUWRSZ-HUUCEWRRSA-N 1 0 306.475 3.329 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079410020 431723736 /nfs/dbraw/zinc/72/37/36/431723736.db2.gz JEVKCLGHRODBEU-GOEBONIOSA-N 1 0 304.434 3.137 10 0 DGAERO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)s1 ZINC000121486365 431792492 /nfs/dbraw/zinc/79/24/92/431792492.db2.gz RLZCXYOEPUOZAH-AWEZNQCLSA-N 1 0 306.475 3.289 10 0 DGAERO Cc1ccc(OCC[N@@H+](C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000121509769 431798111 /nfs/dbraw/zinc/79/81/11/431798111.db2.gz LGSBZFRMFOJNPU-UHFFFAOYSA-N 1 0 301.434 3.457 10 0 DGAERO CCCN(CCC)C(=O)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000121556779 431801136 /nfs/dbraw/zinc/80/11/36/431801136.db2.gz YADUFPAOOYPVHP-CYBMUJFWSA-N 1 0 310.413 3.134 10 0 DGAERO COc1ccc(-c2noc(C[NH2+][C@@H](C)C(C)(C)C)n2)c(OC)c1 ZINC000121533996 431801629 /nfs/dbraw/zinc/80/16/29/431801629.db2.gz UQIOVMIFQXGUOX-NSHDSACASA-N 1 0 319.405 3.278 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)CCS1 ZINC000084074822 431813265 /nfs/dbraw/zinc/81/32/65/431813265.db2.gz HAUBYWRNXUNCIK-GFCCVEGCSA-N 1 0 310.488 3.398 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)cc1Br ZINC000122128748 431814373 /nfs/dbraw/zinc/81/43/73/431814373.db2.gz FSFURSMJCMZWMC-PIGZYNQJSA-N 1 0 318.280 3.004 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)cc1Br ZINC000122129437 431814566 /nfs/dbraw/zinc/81/45/66/431814566.db2.gz FSFURSMJCMZWMC-GTNSWQLSSA-N 1 0 318.280 3.004 10 0 DGAERO CCOC[C@H]1CC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084112744 431815474 /nfs/dbraw/zinc/81/54/74/431815474.db2.gz XIPAOBUBRHXYBR-HNNXBMFYSA-N 1 0 322.474 3.319 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)s1 ZINC000121295751 431766644 /nfs/dbraw/zinc/76/66/44/431766644.db2.gz QZUNFDZZGIOSIF-CYBMUJFWSA-N 1 0 304.463 3.444 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095542 431782966 /nfs/dbraw/zinc/78/29/66/431782966.db2.gz MXLVIVNATDGOCG-RDTXWAMCSA-N 1 0 312.461 3.100 10 0 DGAERO Cc1cc(C(=O)NCc2nccn2CC(C)C)cc(C)c1F ZINC000122706698 431842762 /nfs/dbraw/zinc/84/27/62/431842762.db2.gz PIZRGJNQLOSFTK-UHFFFAOYSA-N 1 0 303.381 3.225 10 0 DGAERO CN1CCN([C@@H]2CCCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000122813579 431845319 /nfs/dbraw/zinc/84/53/19/431845319.db2.gz DARACZCYAXRXOG-LJQANCHMSA-N 1 0 307.526 3.059 10 0 DGAERO CC(C)[C@@H](C)N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000086425251 431845509 /nfs/dbraw/zinc/84/55/09/431845509.db2.gz WWJXCMFXKVXPJA-ZBSSRIJBSA-N 1 0 307.482 3.220 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2cc3ccccc3s2)CC[N@@H+]1C ZINC000122849813 431846295 /nfs/dbraw/zinc/84/62/95/431846295.db2.gz RMNSVZVVZBSNCI-GXTWGEPZSA-N 1 0 302.443 3.456 10 0 DGAERO CC[C@@H]([NH2+]CCc1ccc(OC)cc1Cl)c1cnn(C)c1 ZINC000122865223 431847200 /nfs/dbraw/zinc/84/72/00/431847200.db2.gz ASAHCRHMVZZWMT-MRXNPFEDSA-N 1 0 307.825 3.366 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2cccc(F)c2)CC[N@@H+]1C ZINC000122950299 431849937 /nfs/dbraw/zinc/84/99/37/431849937.db2.gz JHJXLHNIMTZBIW-BBRMVZONSA-N 1 0 306.425 3.044 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCC([NH3+])CC1 ZINC000037805037 431850642 /nfs/dbraw/zinc/85/06/42/431850642.db2.gz IZZHYRFINSCWPZ-UHFFFAOYSA-N 1 0 315.244 3.469 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCCC2CC[NH+](C)CC2)cc1F ZINC000087136397 431851074 /nfs/dbraw/zinc/85/10/74/431851074.db2.gz CPMQYQUQDQFPHT-CQSZACIVSA-N 1 0 321.440 3.226 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CCN1C ZINC000123734810 431873375 /nfs/dbraw/zinc/87/33/75/431873375.db2.gz OPKGISLLWUMYEM-CJNGLKHVSA-N 1 0 323.868 3.083 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2csc(-c3ccco3)n2)CC[N@@H+]1C ZINC000123075164 431854548 /nfs/dbraw/zinc/85/45/48/431854548.db2.gz AAQCUXJMOBEQIY-GXTWGEPZSA-N 1 0 305.447 3.318 10 0 DGAERO CCC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)C[C@H]1CCCCO1 ZINC000089126005 431860159 /nfs/dbraw/zinc/86/01/59/431860159.db2.gz SHUXCQGZCSRUFO-OAHLLOKOSA-N 1 0 323.408 3.393 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000123391375 431864311 /nfs/dbraw/zinc/86/43/11/431864311.db2.gz KZZNBKIUEVVONA-OLZOCXBDSA-N 1 0 316.367 3.077 10 0 DGAERO CC(C)c1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123423118 431864976 /nfs/dbraw/zinc/86/49/76/431864976.db2.gz OLVVRFAVMLMHCU-QAPCUYQASA-N 1 0 317.477 3.163 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123460650 431865269 /nfs/dbraw/zinc/86/52/69/431865269.db2.gz JSNBXIRDMLLTIP-ZACQAIPSSA-N 1 0 302.462 3.430 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2coc(-c3cccs3)n2)CC[N@@H+]1C ZINC000123452593 431866097 /nfs/dbraw/zinc/86/60/97/431866097.db2.gz FGSYYKLRFRTYPK-JSGCOSHPSA-N 1 0 305.447 3.318 10 0 DGAERO CC(C)c1csc(NC(=O)NCC[NH+]2CCC(C)CC2)n1 ZINC000043600890 431869502 /nfs/dbraw/zinc/86/95/02/431869502.db2.gz CUAIMXMTTIYXAJ-UHFFFAOYSA-N 1 0 310.467 3.120 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2csc3ccccc23)CC[N@@H+]1C ZINC000123618571 431869946 /nfs/dbraw/zinc/86/99/46/431869946.db2.gz MYGNJOYTTLISQY-OLZOCXBDSA-N 1 0 302.443 3.456 10 0 DGAERO NC(=O)C1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000035255412 431829381 /nfs/dbraw/zinc/82/93/81/431829381.db2.gz LKIKZHMYSYGRGB-UHFFFAOYSA-N 1 0 301.217 3.127 10 0 DGAERO C[C@@H]([NH2+]CCN1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000035790427 431834200 /nfs/dbraw/zinc/83/42/00/431834200.db2.gz SFGNMWAHUORKKN-SNVBAGLBSA-N 1 0 321.223 3.115 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C/SCc1ccco1 ZINC000084923217 431836154 /nfs/dbraw/zinc/83/61/54/431836154.db2.gz NOAXAPFTHDNOAM-RCQQVGEISA-N 1 0 310.463 3.119 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000085385777 431839382 /nfs/dbraw/zinc/83/93/82/431839382.db2.gz YXIZSSSZUKWQSI-YQQAZPJKSA-N 1 0 303.450 3.038 10 0 DGAERO CCc1nn(C)c(CC)c1C[N@H+](C)CCc1ccc(F)cc1 ZINC000092162195 431907609 /nfs/dbraw/zinc/90/76/09/431907609.db2.gz RCPAAPDIHCKANZ-UHFFFAOYSA-N 1 0 303.425 3.359 10 0 DGAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccsc1 ZINC000095883601 431926040 /nfs/dbraw/zinc/92/60/40/431926040.db2.gz DBXUSEYXIHEMLD-CVEARBPZSA-N 1 0 301.411 3.137 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+]3CCc4ccccc4[C@H]3C)cnc2n1 ZINC000093149472 431912676 /nfs/dbraw/zinc/91/26/76/431912676.db2.gz AMHFUHSFCQZMCJ-OAHLLOKOSA-N 1 0 306.413 3.465 10 0 DGAERO C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000047893010 431916556 /nfs/dbraw/zinc/91/65/56/431916556.db2.gz OLOXHBSSPMUIHW-GFCCVEGCSA-N 1 0 321.852 3.327 10 0 DGAERO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093868747 431918384 /nfs/dbraw/zinc/91/83/84/431918384.db2.gz UWNACOHUXXYKEX-GDBMZVCRSA-N 1 0 318.490 3.452 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)o1 ZINC000048060242 431918845 /nfs/dbraw/zinc/91/88/45/431918845.db2.gz NDIXXUHRUHIYDQ-GDBMZVCRSA-N 1 0 315.417 3.251 10 0 DGAERO C[C@H](CCCO)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000094942605 431920510 /nfs/dbraw/zinc/92/05/10/431920510.db2.gz JHSYKMQOUXHUCV-OLZOCXBDSA-N 1 0 301.377 3.360 10 0 DGAERO CN(C[C@H]1CCC[NH2+]C1)c1ncc(C(F)(F)F)cc1Cl ZINC000095071073 431920555 /nfs/dbraw/zinc/92/05/55/431920555.db2.gz ZOVMRFTWTVTJQM-VIFPVBQESA-N 1 0 307.747 3.190 10 0 DGAERO Cc1ccc(F)cc1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000071790638 280856911 /nfs/dbraw/zinc/85/69/11/280856911.db2.gz ZHTYDQQOUGNNIW-UKRRQHHQSA-N 1 0 308.397 3.186 10 0 DGAERO Brc1ccc(C[C@@H]2COCC[C@H]2[NH2+]C2CC2)cc1 ZINC000095079471 431920960 /nfs/dbraw/zinc/92/09/60/431920960.db2.gz BDCJZGMUZJZHKA-IUODEOHRSA-N 1 0 310.235 3.149 10 0 DGAERO CC(C)[NH2+]CCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095088500 431921290 /nfs/dbraw/zinc/92/12/90/431921290.db2.gz LSMGOLJTORWNPN-UHFFFAOYSA-N 1 0 304.434 3.423 10 0 DGAERO C[C@H](c1ccc[nH]1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000095089018 431921349 /nfs/dbraw/zinc/92/13/49/431921349.db2.gz VKXIDASFFNUFHP-CYBMUJFWSA-N 1 0 307.438 3.312 10 0 DGAERO CC(C)[NH2+][C@H]1CCOC[C@H]1Cc1ccc(Br)cc1 ZINC000095088420 431921450 /nfs/dbraw/zinc/92/14/50/431921450.db2.gz OGVUDYHRUYOMCG-HIFRSBDPSA-N 1 0 312.251 3.395 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000095089257 431921868 /nfs/dbraw/zinc/92/18/68/431921868.db2.gz HPBCBZCJAWPJCN-RYUDHWBXSA-N 1 0 311.451 3.051 10 0 DGAERO CC(=O)Nc1cccc(CN2CCO[C@@H](c3ccsc3)C2)c1 ZINC000125399213 431923590 /nfs/dbraw/zinc/92/35/90/431923590.db2.gz MYAWABIVCUOTGB-QGZVFWFLSA-N 1 0 316.426 3.280 10 0 DGAERO Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000089732884 431876158 /nfs/dbraw/zinc/87/61/58/431876158.db2.gz SNKMTLBNKGUQHB-MJGOQNOKSA-N 1 0 324.472 3.365 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123967491 431879445 /nfs/dbraw/zinc/87/94/45/431879445.db2.gz WVCKUSROMUKIRZ-RDJZCZTQSA-N 1 0 302.462 3.196 10 0 DGAERO Oc1cccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000089802416 431879761 /nfs/dbraw/zinc/87/97/61/431879761.db2.gz CNRKDMMVPWGNMT-UHFFFAOYSA-N 1 0 319.351 3.466 10 0 DGAERO O=C(c1scnc1C1CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000089814834 431880196 /nfs/dbraw/zinc/88/01/96/431880196.db2.gz NUCLOWYCYGJJRF-AWEZNQCLSA-N 1 0 319.474 3.111 10 0 DGAERO O=C(c1scnc1C1CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000089814833 431880559 /nfs/dbraw/zinc/88/05/59/431880559.db2.gz NUCLOWYCYGJJRF-CQSZACIVSA-N 1 0 319.474 3.111 10 0 DGAERO CC[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1nccs1 ZINC000124287527 431888580 /nfs/dbraw/zinc/88/85/80/431888580.db2.gz BAJLLGJOMJGNHX-CYBMUJFWSA-N 1 0 324.494 3.156 10 0 DGAERO CCNC(=O)[C@H]1CCCN(c2cc(CC)[nH+]c3ccccc32)C1 ZINC000124327439 431891086 /nfs/dbraw/zinc/89/10/86/431891086.db2.gz FWFREBURRFKZOB-AWEZNQCLSA-N 1 0 311.429 3.150 10 0 DGAERO CCc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c2ccccc2[nH+]1 ZINC000125435616 431925695 /nfs/dbraw/zinc/92/56/95/431925695.db2.gz UCBOUARRWXEMTR-HNNXBMFYSA-N 1 0 310.319 3.301 10 0 DGAERO Cc1nc2ccccc2cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124442169 431893376 /nfs/dbraw/zinc/89/33/76/431893376.db2.gz SHQJLJNWJINLFJ-CZUORRHYSA-N 1 0 311.429 3.098 10 0 DGAERO CCC(C)(C)NC(=O)C[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000090620348 431893763 /nfs/dbraw/zinc/89/37/63/431893763.db2.gz BLPIZFHHOKPTBG-OAHLLOKOSA-N 1 0 320.477 3.110 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)CC[N@@H+]1C ZINC000124518174 431896536 /nfs/dbraw/zinc/89/65/36/431896536.db2.gz BPISDGHRSCWZOQ-VWSOIFEKSA-N 1 0 304.478 3.144 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000124516570 431896625 /nfs/dbraw/zinc/89/66/25/431896625.db2.gz JZNISBORSLVAFR-RYUDHWBXSA-N 1 0 314.351 3.260 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]1c1cccs1 ZINC000046280780 431896896 /nfs/dbraw/zinc/89/68/96/431896896.db2.gz IDVVXPPRCAMQPZ-KBPBESRZSA-N 1 0 309.479 3.325 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000090879583 431896940 /nfs/dbraw/zinc/89/69/40/431896940.db2.gz CYSQGICYGPYRCB-GOEBONIOSA-N 1 0 302.422 3.123 10 0 DGAERO CCNC(=O)CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000046503486 431898454 /nfs/dbraw/zinc/89/84/54/431898454.db2.gz QUZATNIKZMWPSF-MRXNPFEDSA-N 1 0 320.483 3.283 10 0 DGAERO Cc1ccc2cccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2n1 ZINC000124558657 431898498 /nfs/dbraw/zinc/89/84/98/431898498.db2.gz BKZGCXUSWYFVNV-GDBMZVCRSA-N 1 0 311.429 3.098 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000124645981 431900232 /nfs/dbraw/zinc/90/02/32/431900232.db2.gz PFXBHFRRNSNNJT-JKSUJKDBSA-N 1 0 321.465 3.316 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CN(C)C)c2ccccc2)C12CCC2 ZINC000124675540 431900623 /nfs/dbraw/zinc/90/06/23/431900623.db2.gz KVAFJYMIBGSYEJ-OKZBNKHCSA-N 1 0 302.462 3.227 10 0 DGAERO CCNC(=O)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000091100675 431902706 /nfs/dbraw/zinc/90/27/06/431902706.db2.gz RRANUVCAHCECLD-UHFFFAOYSA-N 1 0 314.351 3.021 10 0 DGAERO CC[C@H](C(N)=O)[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000091100366 431903154 /nfs/dbraw/zinc/90/31/54/431903154.db2.gz IHALXDONPSLPGC-CQSZACIVSA-N 1 0 314.351 3.149 10 0 DGAERO Cc1cc(C)n2c(C[N@H+](C)CCCOc3ccccc3)cnc2n1 ZINC000091899356 431906687 /nfs/dbraw/zinc/90/66/87/431906687.db2.gz HLDZOZPRIKRGRB-UHFFFAOYSA-N 1 0 324.428 3.247 10 0 DGAERO Fc1cc(C[NH2+]CCc2ccncc2)ccc1Br ZINC000127495806 431973094 /nfs/dbraw/zinc/97/30/94/431973094.db2.gz OVIAIALWVGKQMO-UHFFFAOYSA-N 1 0 309.182 3.316 10 0 DGAERO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)CCc1ccc(F)cc1 ZINC000055022933 431975308 /nfs/dbraw/zinc/97/53/08/431975308.db2.gz MVSIIJSYHNRZJR-CQSZACIVSA-N 1 0 300.377 3.327 10 0 DGAERO CC[C@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)c1cnn(C)c1 ZINC000127630760 431976465 /nfs/dbraw/zinc/97/64/65/431976465.db2.gz HSZXCABBPVNRCF-KRWDZBQOSA-N 1 0 309.417 3.155 10 0 DGAERO CCc1nc(C)c(CN(CC[NH+](C)C)Cc2ccccc2C)[nH]1 ZINC000055153386 431976958 /nfs/dbraw/zinc/97/69/58/431976958.db2.gz RKXQGAVNLQTXLQ-UHFFFAOYSA-N 1 0 314.477 3.153 10 0 DGAERO COC(=O)CCC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127746387 431979772 /nfs/dbraw/zinc/97/97/72/431979772.db2.gz NMHVOQCXLXMTGZ-CYBMUJFWSA-N 1 0 310.463 3.399 10 0 DGAERO CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000125684678 431933226 /nfs/dbraw/zinc/93/32/26/431933226.db2.gz YLPWGWVSRYBIDT-GOSISDBHSA-N 1 0 310.397 3.298 10 0 DGAERO CC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000126302935 431947284 /nfs/dbraw/zinc/94/72/84/431947284.db2.gz GRSWJQAWNKPKES-UHFFFAOYSA-N 1 0 306.413 3.445 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000123504914 280974499 /nfs/dbraw/zinc/97/44/99/280974499.db2.gz IVLFFEXQDJKVSI-INIZCTEOSA-N 1 0 315.461 3.326 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1sccc1Br ZINC000052001021 431954052 /nfs/dbraw/zinc/95/40/52/431954052.db2.gz XCTGHHYTNIFKRR-IEBDPFPHSA-N 1 0 304.253 3.465 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000052556135 431956585 /nfs/dbraw/zinc/95/65/85/431956585.db2.gz DZVHNCYYDBBYBR-HXUWFJFHSA-N 1 0 322.452 3.137 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000052593843 431956722 /nfs/dbraw/zinc/95/67/22/431956722.db2.gz QAKXBZSGHHCFBW-QGZVFWFLSA-N 1 0 303.450 3.011 10 0 DGAERO CC[C@H]1c2ccsc2CCN1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000052594037 431957464 /nfs/dbraw/zinc/95/74/64/431957464.db2.gz FPBPGYSCZLXAGV-ZFWWWQNUSA-N 1 0 321.490 3.251 10 0 DGAERO CCc1ccsc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052986148 431959189 /nfs/dbraw/zinc/95/91/89/431959189.db2.gz VSCWVGFGMHIWQW-HNNXBMFYSA-N 1 0 302.443 3.343 10 0 DGAERO COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC(=O)C1CC1 ZINC000127268445 431967915 /nfs/dbraw/zinc/96/79/15/431967915.db2.gz HCQALOXGDLJOLU-UHFFFAOYSA-N 1 0 303.402 3.385 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)[C@H](C)C1 ZINC000127276044 431968111 /nfs/dbraw/zinc/96/81/11/431968111.db2.gz ULCOIAAPIFOXQV-RDTXWAMCSA-N 1 0 313.445 3.279 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)[C@H](C)C1 ZINC000127297318 431968177 /nfs/dbraw/zinc/96/81/77/431968177.db2.gz YSZISLGBKUBGCR-SKDRFNHKSA-N 1 0 318.248 3.124 10 0 DGAERO C[C@H](CCO)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000097439855 431969348 /nfs/dbraw/zinc/96/93/48/431969348.db2.gz JKHCFYNIPIISSA-CHWSQXEVSA-N 1 0 301.377 3.217 10 0 DGAERO C[C@H]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H]1C ZINC000127814372 431981586 /nfs/dbraw/zinc/98/15/86/431981586.db2.gz MCDIMWVOMFPDBP-UONOGXRCSA-N 1 0 321.440 3.075 10 0 DGAERO COc1c(C)cc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000101566302 431986234 /nfs/dbraw/zinc/98/62/34/431986234.db2.gz HAZFSSYHTKHNDP-CQSZACIVSA-N 1 0 306.450 3.047 10 0 DGAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(N(C)C)c1C ZINC000455069529 281162753 /nfs/dbraw/zinc/16/27/53/281162753.db2.gz HHMDHKKTUZNQMO-HNNXBMFYSA-N 1 0 318.465 3.009 10 0 DGAERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)n1 ZINC000187066168 281246777 /nfs/dbraw/zinc/24/67/77/281246777.db2.gz IWUPKXPVKOKLIF-CVEARBPZSA-N 1 0 303.450 3.081 10 0 DGAERO Cc1ccccc1[C@@H](C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182909537 281354726 /nfs/dbraw/zinc/35/47/26/281354726.db2.gz YZQJHUJZPTTZCU-MOPGFXCFSA-N 1 0 315.505 3.158 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000128340865 431992430 /nfs/dbraw/zinc/99/24/30/431992430.db2.gz ZRUGKNSYLZGBKQ-CQSZACIVSA-N 1 0 309.479 3.134 10 0 DGAERO CCN(CC(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248084939 432269421 /nfs/dbraw/zinc/26/94/21/432269421.db2.gz SNTDHLXWPSGFDT-SJORKVTESA-N 1 0 303.450 3.119 10 0 DGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3Cc3ccccc3)C[C@H]12 ZINC000248585351 432303126 /nfs/dbraw/zinc/30/31/26/432303126.db2.gz GCFRORRILPGTLH-YZGWKJHDSA-N 1 0 320.436 3.087 10 0 DGAERO CSc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248155896 432272179 /nfs/dbraw/zinc/27/21/79/432272179.db2.gz RJJNVGPWWMBHMH-XJKSGUPXSA-N 1 0 319.474 3.357 10 0 DGAERO CCCCC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183231822 432272156 /nfs/dbraw/zinc/27/21/56/432272156.db2.gz LQZNGUHAELWXHX-IEBWSBKVSA-N 1 0 316.445 3.279 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc4c(c3)CCCC4)CC[C@H]21 ZINC000248149368 432273008 /nfs/dbraw/zinc/27/30/08/432273008.db2.gz QOEHUAZLQYNYFT-RTBURBONSA-N 1 0 312.457 3.122 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1nccs1 ZINC000248183234 432273525 /nfs/dbraw/zinc/27/35/25/432273525.db2.gz WVIKURNPRVLDNO-OFQRWUPVSA-N 1 0 316.474 3.099 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)c1ccccc1Cl ZINC000248168631 432274789 /nfs/dbraw/zinc/27/47/89/432274789.db2.gz UHFWAHRSMDZRDT-IAOVAPTHSA-N 1 0 309.837 3.000 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCCOCCc1ccccc1)CC2 ZINC000248217514 432276000 /nfs/dbraw/zinc/27/60/00/432276000.db2.gz ZXHKMPPXGLHYPW-VQTJNVASSA-N 1 0 317.473 3.263 10 0 DGAERO Fc1cccc(-c2nc(CN3CC[N@@H+]4CCCC[C@H]4C3)co2)c1 ZINC000248345783 432279476 /nfs/dbraw/zinc/27/94/76/432279476.db2.gz NEKXEVJDEMZDBS-KRWDZBQOSA-N 1 0 315.392 3.151 10 0 DGAERO CC[C@]1(C)CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000173491682 432282762 /nfs/dbraw/zinc/28/27/62/432282762.db2.gz CUAXPPQCDPRWQY-IEBWSBKVSA-N 1 0 302.462 3.198 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)n1 ZINC000248390863 432284045 /nfs/dbraw/zinc/28/40/45/432284045.db2.gz IUWOQFHEHAQGNV-ZYHUDNBSSA-N 1 0 322.396 3.369 10 0 DGAERO CCOC(C[N@@H+]1C[C@@H](c2ccc(OC)cc2)C[C@H]1C)OCC ZINC000248403375 432286576 /nfs/dbraw/zinc/28/65/76/432286576.db2.gz XUOLLJHUZDCCHR-ZBFHGGJFSA-N 1 0 307.434 3.272 10 0 DGAERO CCn1cc([C@@H]2C[N@H+](C[C@@H](C)Cc3ccccc3)CCO2)cn1 ZINC000191705977 432293562 /nfs/dbraw/zinc/29/35/62/432293562.db2.gz WJMURQUJILPUMX-LPHOPBHVSA-N 1 0 313.445 3.155 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OC(C)C)c(C)c2)C1 ZINC000173729723 432296203 /nfs/dbraw/zinc/29/62/03/432296203.db2.gz HZLYEFZSJHRMRB-INIZCTEOSA-N 1 0 319.449 3.388 10 0 DGAERO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CC1(O)CCCC1 ZINC000152044755 432299683 /nfs/dbraw/zinc/29/96/83/432299683.db2.gz MKXLTHNXHBYROV-CYBMUJFWSA-N 1 0 301.390 3.035 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnc(C)s2)[C@H]1Oc1ccccc1 ZINC000248551254 432299816 /nfs/dbraw/zinc/29/98/16/432299816.db2.gz INZYGQJIQDPRIP-BRWVUGGUSA-N 1 0 318.442 3.166 10 0 DGAERO Cc1csc([C@H]([NH2+]C[C@@](C)(O)c2ccccc2)C2CC2)n1 ZINC000183542313 432302297 /nfs/dbraw/zinc/30/22/97/432302297.db2.gz WMFSCHPQQSHXFE-NVXWUHKLSA-N 1 0 302.443 3.400 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000183127483 432262061 /nfs/dbraw/zinc/26/20/61/432262061.db2.gz FDNOKGAGJFNOCA-GLJUWKHASA-N 1 0 312.413 3.324 10 0 DGAERO CCOC(=O)CCCC[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183164099 432265235 /nfs/dbraw/zinc/26/52/35/432265235.db2.gz VWQLOBKWSUWRJI-HNNXBMFYSA-N 1 0 315.417 3.256 10 0 DGAERO Fc1ccc(-c2noc(CCC[NH2+][C@H]3CCCSC3)n2)cc1 ZINC000183178094 432265358 /nfs/dbraw/zinc/26/53/58/432265358.db2.gz RZELPASUZJQPGK-AWEZNQCLSA-N 1 0 321.421 3.294 10 0 DGAERO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccs1 ZINC000248067157 432265680 /nfs/dbraw/zinc/26/56/80/432265680.db2.gz PWMFRSWPUMKXPF-LXZKKBNFSA-N 1 0 314.454 3.413 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2ccn(C)c2c1 ZINC000173829115 432303055 /nfs/dbraw/zinc/30/30/55/432303055.db2.gz NXYFVSWLBWLYPT-ZDUSSCGKSA-N 1 0 302.422 3.030 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000248077766 432266953 /nfs/dbraw/zinc/26/69/53/432266953.db2.gz RJCYXSIYJADVKT-RTBURBONSA-N 1 0 319.408 3.343 10 0 DGAERO Cc1cc2cc(C(=O)N3CCC([NH+](C)C)CC3)oc2cc1C ZINC000173251244 432266997 /nfs/dbraw/zinc/26/69/97/432266997.db2.gz SZWFUTRLMCGVBO-UHFFFAOYSA-N 1 0 300.402 3.216 10 0 DGAERO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248741389 432316205 /nfs/dbraw/zinc/31/62/05/432316205.db2.gz QVYANKHVDGIPHV-FWEDZOCSSA-N 1 0 301.430 3.046 10 0 DGAERO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)CC(C)C)c1 ZINC000191951203 432317847 /nfs/dbraw/zinc/31/78/47/432317847.db2.gz RCPOSMPJCHYJAF-MRXNPFEDSA-N 1 0 320.477 3.268 10 0 DGAERO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000191960107 432319148 /nfs/dbraw/zinc/31/91/48/432319148.db2.gz QMKVILDWQLAGAI-MJGOQNOKSA-N 1 0 310.397 3.053 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCc2cc3ccccc3o2)CC[N@@H+]1C ZINC000174077305 432319578 /nfs/dbraw/zinc/31/95/78/432319578.db2.gz GNWXUIKYLBEPDV-UKRRQHHQSA-N 1 0 315.417 3.057 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248831721 432322696 /nfs/dbraw/zinc/32/26/96/432322696.db2.gz MOMGBGOQDMBFGD-UCLAIMLFSA-N 1 0 319.445 3.320 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@@H+]([C@H](C)c3nnnn3C3CC3)C2)c1 ZINC000248882608 432325183 /nfs/dbraw/zinc/32/51/83/432325183.db2.gz PWRNYQCSUGOGFP-CABCVRRESA-N 1 0 311.433 3.175 10 0 DGAERO CCn1cc([C@@H]2C[N@H+](C[C@@H]3C(C)=CCC[C@@H]3C)CCO2)cn1 ZINC000248897958 432327005 /nfs/dbraw/zinc/32/70/05/432327005.db2.gz UNLRJDDXNQJBNI-JQHSSLGASA-N 1 0 303.450 3.269 10 0 DGAERO Cc1ccc(OCCCC(=O)N2CCC([NH+](C)C)CC2)cc1C ZINC000174210656 432328254 /nfs/dbraw/zinc/32/82/54/432328254.db2.gz GAHPCOAHQBASJW-UHFFFAOYSA-N 1 0 318.461 3.015 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)ccc1F ZINC000174196307 432328929 /nfs/dbraw/zinc/32/89/29/432328929.db2.gz XKZJYPMWWHNAIQ-TZMCWYRMSA-N 1 0 320.387 3.018 10 0 DGAERO Cc1cc2cc([C@@H](C)[NH2+][C@@H]3CCC(=O)N(C)C3)oc2cc1C ZINC000152371051 432329291 /nfs/dbraw/zinc/32/92/91/432329291.db2.gz ZFRBXHGJOAUUHC-UKRRQHHQSA-N 1 0 300.402 3.321 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1F ZINC000174198526 432329578 /nfs/dbraw/zinc/32/95/78/432329578.db2.gz RLSODIMCJLKPFD-GXTWGEPZSA-N 1 0 320.387 3.018 10 0 DGAERO Cc1cc2cc([C@@H](C)[NH2+][C@H]3CCC(=O)N(C)C3)oc2cc1C ZINC000152371231 432329623 /nfs/dbraw/zinc/32/96/23/432329623.db2.gz ZFRBXHGJOAUUHC-HIFRSBDPSA-N 1 0 300.402 3.321 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000248965684 432331147 /nfs/dbraw/zinc/33/11/47/432331147.db2.gz QQAQWCGREIZIHA-IRXDYDNUSA-N 1 0 305.466 3.024 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000192127826 432335593 /nfs/dbraw/zinc/33/55/93/432335593.db2.gz AMONHIGUOKOMBC-JOYOIKCWSA-N 1 0 305.752 3.456 10 0 DGAERO COCCCCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192156180 432338377 /nfs/dbraw/zinc/33/83/77/432338377.db2.gz CARNFFRUKKHPBQ-WBVHZDCISA-N 1 0 324.852 3.018 10 0 DGAERO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2F)C1 ZINC000174348896 432338932 /nfs/dbraw/zinc/33/89/32/432338932.db2.gz ZXEGYSIZYBPRKI-CHWSQXEVSA-N 1 0 310.438 3.370 10 0 DGAERO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)CC1CCCC1 ZINC000249103278 432340379 /nfs/dbraw/zinc/34/03/79/432340379.db2.gz PXDDXNBALKVYDV-LPHOPBHVSA-N 1 0 305.462 3.201 10 0 DGAERO Fc1ccc([C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)c2ncc[nH]2)cc1 ZINC000249199257 432341013 /nfs/dbraw/zinc/34/10/13/432341013.db2.gz SFDIKSYEPIOHQF-BBWFWOEESA-N 1 0 315.392 3.185 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@@H]1C ZINC000249242515 432342755 /nfs/dbraw/zinc/34/27/55/432342755.db2.gz WVUNTJODEIYZFN-SUMWQHHRSA-N 1 0 305.418 3.189 10 0 DGAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000249301672 432345011 /nfs/dbraw/zinc/34/50/11/432345011.db2.gz CCXFQQPHXOZDOF-APWZRJJASA-N 1 0 313.445 3.417 10 0 DGAERO Cc1cc(N2CC[NH+](C3CC3)CC2)c2ccc(F)c(F)c2n1 ZINC000192235713 432348489 /nfs/dbraw/zinc/34/84/89/432348489.db2.gz GHVRRFUJVSGBSP-UHFFFAOYSA-N 1 0 303.356 3.106 10 0 DGAERO CN(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CCC1 ZINC000174455154 432349228 /nfs/dbraw/zinc/34/92/28/432349228.db2.gz SWLKJKORRINPHK-UHFFFAOYSA-N 1 0 321.490 3.154 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH]c(-c2ccccc2)n1 ZINC000184054413 432350341 /nfs/dbraw/zinc/35/03/41/432350341.db2.gz AUKCVIQFNFNSRQ-ZWKOTPCHSA-N 1 0 310.445 3.135 10 0 DGAERO CC[C@]1(CO)CCC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000249540316 432351766 /nfs/dbraw/zinc/35/17/66/432351766.db2.gz DTEFKIDFOZDPNN-KDOFPFPSSA-N 1 0 315.417 3.282 10 0 DGAERO Cc1ccc2ncc(CNc3cccc4c3OCC[C@@H]4O)n2c1 ZINC000184085195 432353857 /nfs/dbraw/zinc/35/38/57/432353857.db2.gz QWGFINNHVYNLJX-INIZCTEOSA-N 1 0 309.369 3.071 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NCCCNc1ccccn1 ZINC000184081799 432353949 /nfs/dbraw/zinc/35/39/49/432353949.db2.gz XEBZUYISWPJKCZ-UHFFFAOYSA-N 1 0 309.369 3.368 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3cocn3)cc2)C1 ZINC000192287144 432354169 /nfs/dbraw/zinc/35/41/69/432354169.db2.gz AHXGSSSZGYJOGU-HZPDHXFCSA-N 1 0 313.445 3.442 10 0 DGAERO CSc1cccc(C)c1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248575230 432304036 /nfs/dbraw/zinc/30/40/36/432304036.db2.gz OTZNRPMMNPCKIT-KGLIPLIRSA-N 1 0 319.474 3.417 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCC[N@@H+](C3CC3)CC2)s1 ZINC000183575369 432305670 /nfs/dbraw/zinc/30/56/70/432305670.db2.gz PTHRDSLFSPRVOU-UHFFFAOYSA-N 1 0 319.396 3.140 10 0 DGAERO C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)Sc1ccccc1 ZINC000183590363 432305846 /nfs/dbraw/zinc/30/58/46/432305846.db2.gz XQELVKZYQLAXTR-ZDUSSCGKSA-N 1 0 315.442 3.058 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(Cc2sc(C)nc2C(F)(F)F)C1 ZINC000183603094 432307771 /nfs/dbraw/zinc/30/77/71/432307771.db2.gz ZROAUERSJPSWQP-NSHDSACASA-N 1 0 321.412 3.244 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)C2CCC(CO)CC2)s1 ZINC000183616142 432310450 /nfs/dbraw/zinc/31/04/50/432310450.db2.gz IHIKBBHXPKDGHV-UHFFFAOYSA-N 1 0 322.396 3.453 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc2c(c1)OCCO2 ZINC000248696909 432312843 /nfs/dbraw/zinc/31/28/43/432312843.db2.gz DMKIMXAJYJPXLQ-MZTNWIODSA-N 1 0 315.413 3.066 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)cnn1C(C)(C)C ZINC000248702766 432313126 /nfs/dbraw/zinc/31/31/26/432313126.db2.gz NLIPFRSOHYTZON-UYHISHBKSA-N 1 0 313.445 3.255 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(F)c1 ZINC000248706096 432313275 /nfs/dbraw/zinc/31/32/75/432313275.db2.gz HOWDZIJDVWULQP-ASTDHERZSA-N 1 0 305.393 3.443 10 0 DGAERO c1nc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)co1 ZINC000191922797 432315263 /nfs/dbraw/zinc/31/52/63/432315263.db2.gz IKQZSULKCAZRAG-UHFFFAOYSA-N 1 0 307.397 3.146 10 0 DGAERO CO[C@H]1C[N@H+](CCCC(=O)Nc2c(C)cccc2C)CC[C@H]1C ZINC000251915407 432373642 /nfs/dbraw/zinc/37/36/42/432373642.db2.gz RZKDKKZUTMRRBS-PBHICJAKSA-N 1 0 318.461 3.379 10 0 DGAERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2SC)CC[C@H]1C ZINC000251908465 432373666 /nfs/dbraw/zinc/37/36/66/432373666.db2.gz RMXPAWWCIACWIU-UKRRQHHQSA-N 1 0 322.474 3.094 10 0 DGAERO CCc1nnc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](CC)C2)n1C ZINC000174886442 432375881 /nfs/dbraw/zinc/37/58/81/432375881.db2.gz HKYDXFBBIKPKKX-NVXWUHKLSA-N 1 0 312.461 3.393 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)CCCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000153029614 432376662 /nfs/dbraw/zinc/37/66/62/432376662.db2.gz KNEVSWIGNISNLV-HIFRSBDPSA-N 1 0 324.415 3.229 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1scnc1C1CCCC1 ZINC000184315498 432378539 /nfs/dbraw/zinc/37/85/39/432378539.db2.gz SJPQECWCZUWUJP-ZDUSSCGKSA-N 1 0 321.490 3.405 10 0 DGAERO C[C@H](C[S@@](C)=O)[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000184314386 432378939 /nfs/dbraw/zinc/37/89/39/432378939.db2.gz REIJTNAGXRUPER-JLCFBVMHSA-N 1 0 313.466 3.231 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000252645810 432384296 /nfs/dbraw/zinc/38/42/96/432384296.db2.gz CDRFLALEWCPPNN-DGCLKSJQSA-N 1 0 307.825 3.349 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)[S@](C)=O ZINC000252731792 432385879 /nfs/dbraw/zinc/38/58/79/432385879.db2.gz ROSNVTFWERQNCI-NNOLRYQLSA-N 1 0 323.380 3.393 10 0 DGAERO O=C(Nc1cc(F)cc(Cl)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000153147270 432386729 /nfs/dbraw/zinc/38/67/29/432386729.db2.gz GPNKCIROKDMDAH-CQSZACIVSA-N 1 0 311.788 3.181 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1Br ZINC000252672779 432386958 /nfs/dbraw/zinc/38/69/58/432386958.db2.gz CPCDKPPAWXYPLE-JSGCOSHPSA-N 1 0 309.251 3.118 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccc(Br)s1)[S@](C)=O ZINC000252732289 432387471 /nfs/dbraw/zinc/38/74/71/432387471.db2.gz UKWIYHQMFWZSDF-GLSBUQGYSA-N 1 0 324.309 3.318 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2nc1C ZINC000175005218 432388397 /nfs/dbraw/zinc/38/83/97/432388397.db2.gz VWSKPRYWQRBVPH-IAGOWNOFSA-N 1 0 323.440 3.242 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)ccc1OC ZINC000253340142 432389918 /nfs/dbraw/zinc/38/99/18/432389918.db2.gz BJAAOIKABZQPSM-BWUSGFMJSA-N 1 0 305.418 3.060 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)ccc1OC ZINC000253340143 432390016 /nfs/dbraw/zinc/39/00/16/432390016.db2.gz BJAAOIKABZQPSM-PTOXDTDZSA-N 1 0 305.418 3.060 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cccc(C)c1 ZINC000175016338 432390239 /nfs/dbraw/zinc/39/02/39/432390239.db2.gz KESQNKMTJGYIFN-ZWKOTPCHSA-N 1 0 300.446 3.013 10 0 DGAERO CCSCC[C@@H](C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192596087 432390778 /nfs/dbraw/zinc/39/07/78/432390778.db2.gz IZLOQSPYXFIMAA-LLVKDONJSA-N 1 0 310.488 3.221 10 0 DGAERO C[C@@H]1CCN(C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1cccc(F)c1 ZINC000175174252 432407567 /nfs/dbraw/zinc/40/75/67/432407567.db2.gz OPCGGOJIZQVDEG-DYVFJYSZSA-N 1 0 319.424 3.012 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCSC2)c2ccc(F)cc2C1 ZINC000184526571 432401891 /nfs/dbraw/zinc/40/18/91/432401891.db2.gz XRDLKBUCKWTZHT-DOTOQJQBSA-N 1 0 322.449 3.104 10 0 DGAERO ClC(Cl)(Cl)CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000184527490 432402225 /nfs/dbraw/zinc/40/22/25/432402225.db2.gz TZBRGJXGRXDCJJ-UHFFFAOYSA-N 1 0 310.656 3.355 10 0 DGAERO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000192703821 432402412 /nfs/dbraw/zinc/40/24/12/432402412.db2.gz RFKHOAJJDCZDNY-CVEARBPZSA-N 1 0 314.433 3.294 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc(C(F)F)nc2ccccc21 ZINC000175167384 432405484 /nfs/dbraw/zinc/40/54/84/432405484.db2.gz YWVPDJCRXGXZIB-GFCCVEGCSA-N 1 0 320.387 3.488 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C/C=C\c1cccc(F)c1 ZINC000255000562 432406421 /nfs/dbraw/zinc/40/64/21/432406421.db2.gz YJMRHWGTWXYYQT-KKTNHOPESA-N 1 0 304.409 3.220 10 0 DGAERO CCc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C2)n1 ZINC000249875634 432359555 /nfs/dbraw/zinc/35/95/55/432359555.db2.gz LPHACVJVGYMGER-CHWSQXEVSA-N 1 0 323.506 3.188 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1ccc(F)cc1 ZINC000249855832 432360684 /nfs/dbraw/zinc/36/06/84/432360684.db2.gz DBVPUJQSAAENMU-UKRRQHHQSA-N 1 0 306.406 3.195 10 0 DGAERO CC(C)(C)c1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)n(C(C)(C)C)n1 ZINC000152849674 432362011 /nfs/dbraw/zinc/36/20/11/432362011.db2.gz SMOHZPAGBRHWLB-NWDGAFQWSA-N 1 0 306.454 3.002 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000249912540 432362307 /nfs/dbraw/zinc/36/23/07/432362307.db2.gz WJRCQQUEEVFPHO-KGLIPLIRSA-N 1 0 321.490 3.078 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192364302 432365146 /nfs/dbraw/zinc/36/51/46/432365146.db2.gz WITUMKOFNBWZLD-RHSMWYFYSA-N 1 0 316.445 3.150 10 0 DGAERO CC(C)COC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccco1 ZINC000184203100 432366437 /nfs/dbraw/zinc/36/64/37/432366437.db2.gz OGJSJNHGXDNPHS-MJGOQNOKSA-N 1 0 317.429 3.491 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1ccc(Cl)cc1 ZINC000251504274 432369237 /nfs/dbraw/zinc/36/92/37/432369237.db2.gz FWDMQINLPDTWBA-YESZJQIVSA-N 1 0 319.836 3.343 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C)cc1 ZINC000174785516 432370495 /nfs/dbraw/zinc/37/04/95/432370495.db2.gz RTVPQXKQQAWMDI-QZTJIDSGSA-N 1 0 313.445 3.216 10 0 DGAERO Cc1ccc(NC(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000152969516 432371244 /nfs/dbraw/zinc/37/12/44/432371244.db2.gz ZLBBHOMEGFBPHF-SFHVURJKSA-N 1 0 316.445 3.357 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc2ccccc2n1C(F)F ZINC000175357535 432427924 /nfs/dbraw/zinc/42/79/24/432427924.db2.gz MIYALQSORUXOLP-CYBMUJFWSA-N 1 0 322.403 3.348 10 0 DGAERO CN(C[C@H]1CCC[N@H+](C)C1)c1ncnc2cc(Cl)ccc21 ZINC000261406741 432428679 /nfs/dbraw/zinc/42/86/79/432428679.db2.gz BGVGWZXTDNDVHZ-LBPRGKRZSA-N 1 0 304.825 3.061 10 0 DGAERO C[NH2+]C1CCN(Cc2cc(Br)c(Cl)s2)CC1 ZINC000261571980 432430445 /nfs/dbraw/zinc/43/04/45/432430445.db2.gz HXGDPNZLLGQCAU-UHFFFAOYSA-N 1 0 323.687 3.348 10 0 DGAERO CCCn1cc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cn1 ZINC000184788685 432432703 /nfs/dbraw/zinc/43/27/03/432432703.db2.gz OZFBKIGSGABPQU-IBGZPJMESA-N 1 0 313.445 3.066 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000261626163 432434253 /nfs/dbraw/zinc/43/42/53/432434253.db2.gz COWWCXQASFLYRT-IAOVAPTHSA-N 1 0 315.392 3.040 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCc1ccccc1Cl ZINC000261622025 432434761 /nfs/dbraw/zinc/43/47/61/432434761.db2.gz IAWPZINWGSVSSP-FLOBVVSRSA-N 1 0 320.864 3.295 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000175433633 432434810 /nfs/dbraw/zinc/43/48/10/432434810.db2.gz KEAUWJMHUJZAHP-YOEHRIQHSA-N 1 0 321.440 3.258 10 0 DGAERO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261632646 432436301 /nfs/dbraw/zinc/43/63/01/432436301.db2.gz CQQFQDZASVIHHD-IBGZPJMESA-N 1 0 316.445 3.066 10 0 DGAERO CC1CC[NH+](CCN2C[C@@H](c3ccccc3)OC[C@@H]2C)CC1 ZINC000153732623 432436877 /nfs/dbraw/zinc/43/68/77/432436877.db2.gz UOJOEAYBQLCKSA-HKUYNNGSSA-N 1 0 302.462 3.180 10 0 DGAERO C[NH2+]C1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000261648170 432437060 /nfs/dbraw/zinc/43/70/60/432437060.db2.gz JILKFZINMOQLEL-UHFFFAOYSA-N 1 0 305.809 3.179 10 0 DGAERO C[C@H]1C[C@@H](CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC(C)(C)C1 ZINC000261663970 432438418 /nfs/dbraw/zinc/43/84/18/432438418.db2.gz CHUJYMNRXAJWDO-LUKYLMHMSA-N 1 0 306.494 3.297 10 0 DGAERO Cc1sc2nc(C)nc(NC[C@]3(C)CCC[NH2+]C3)c2c1C ZINC000261716274 432443659 /nfs/dbraw/zinc/44/36/59/432443659.db2.gz POAOQBQMMVDHKE-MRXNPFEDSA-N 1 0 304.463 3.418 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1cc(Cl)cs1)CC2 ZINC000193073191 432444863 /nfs/dbraw/zinc/44/48/63/432444863.db2.gz QBIQXBHLQLZWPR-LLVKDONJSA-N 1 0 310.854 3.221 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000184963610 432448871 /nfs/dbraw/zinc/44/88/71/432448871.db2.gz QRRPZFBDZAKKBN-ROUUACIJSA-N 1 0 300.446 3.191 10 0 DGAERO c1cncc([C@@H]2C[NH2+]CCN2Cc2ccc(OCC3CC3)cc2)c1 ZINC000261914647 432459596 /nfs/dbraw/zinc/45/95/96/432459596.db2.gz JRFOEJBUCQNUPL-FQEVSTJZSA-N 1 0 323.440 3.017 10 0 DGAERO C[C@@H]([NH2+]CCO[C@@H]1CCCCO1)c1cccc(-n2ccnc2)c1 ZINC000193115855 432450393 /nfs/dbraw/zinc/45/03/93/432450393.db2.gz QHSNRUFDXJDSDT-CRAIPNDOSA-N 1 0 315.417 3.066 10 0 DGAERO CCC[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1cccnc1 ZINC000184982633 432452472 /nfs/dbraw/zinc/45/24/72/432452472.db2.gz OOEZTCRNUGJSLZ-QGZVFWFLSA-N 1 0 303.450 3.159 10 0 DGAERO COc1cccc([C@@H](C)[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000175644571 432454550 /nfs/dbraw/zinc/45/45/50/432454550.db2.gz QJIBTLDQLZIONO-CQSZACIVSA-N 1 0 312.417 3.123 10 0 DGAERO CCC[C@]1(C)CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185014681 432456138 /nfs/dbraw/zinc/45/61/38/432456138.db2.gz SZUHXMHOMITZHY-QGZVFWFLSA-N 1 0 302.422 3.477 10 0 DGAERO CSc1cccc(C)c1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000185019280 432456382 /nfs/dbraw/zinc/45/63/82/432456382.db2.gz OTZNRPMMNPCKIT-KBPBESRZSA-N 1 0 319.474 3.417 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000193218977 432458310 /nfs/dbraw/zinc/45/83/10/432458310.db2.gz SCQSHUUBTBTUAW-GJZGRUSLSA-N 1 0 316.470 3.455 10 0 DGAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000175713416 432458411 /nfs/dbraw/zinc/45/84/11/432458411.db2.gz UYCIIPRBSCHKOI-OALUTQOASA-N 1 0 303.446 3.219 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000175173338 432407976 /nfs/dbraw/zinc/40/79/76/432407976.db2.gz BVSHJDMSRMKEHK-PXNSSMCTSA-N 1 0 308.425 3.295 10 0 DGAERO COCCCOC1CC[NH+](C/C=C\c2ccccc2OC)CC1 ZINC000255106318 432408125 /nfs/dbraw/zinc/40/81/25/432408125.db2.gz MENDBAURIIOXOS-YVMONPNESA-N 1 0 319.445 3.226 10 0 DGAERO CCCC[C@H](NCc1nc(N(C)C)no1)c1ccc(OC)cc1 ZINC000192782185 432412949 /nfs/dbraw/zinc/41/29/49/432412949.db2.gz JTYWIBYYCRSXIO-HNNXBMFYSA-N 1 0 318.421 3.165 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1ccnn1C ZINC000192776150 432412959 /nfs/dbraw/zinc/41/29/59/432412959.db2.gz DVFRSNUHGUZWIB-FUHWJXTLSA-N 1 0 312.461 3.125 10 0 DGAERO CC(C)[C@@H](NCc1nc(N(C)C)no1)c1ccccc1Cl ZINC000192782990 432413035 /nfs/dbraw/zinc/41/30/35/432413035.db2.gz GXVIAIJJTOCSFR-CQSZACIVSA-N 1 0 308.813 3.276 10 0 DGAERO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184647612 432415473 /nfs/dbraw/zinc/41/54/73/432415473.db2.gz TTWINWWVFVOOIR-HNNXBMFYSA-N 1 0 318.461 3.008 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000184644522 432416684 /nfs/dbraw/zinc/41/66/84/432416684.db2.gz LRKCEOUIHBMVSO-ZDUSSCGKSA-N 1 0 315.417 3.110 10 0 DGAERO Cc1cccc([C@H](C)CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175271035 432418441 /nfs/dbraw/zinc/41/84/41/432418441.db2.gz VZZZXVPOLVFCES-NUJGCVRESA-N 1 0 317.477 3.223 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(Cl)cc1C ZINC000175341828 432426385 /nfs/dbraw/zinc/42/63/85/432426385.db2.gz BGBYQAAQTWNBTH-OAHLLOKOSA-N 1 0 323.868 3.003 10 0 DGAERO C[NH2+]CCC1CCN(C(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC000262050078 432472102 /nfs/dbraw/zinc/47/21/02/432472102.db2.gz MLXMYUXGPBWRMY-GOSISDBHSA-N 1 0 314.473 3.345 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000262094889 432473552 /nfs/dbraw/zinc/47/35/52/432473552.db2.gz HOKWQAHLGRCWPA-ZACCUICWSA-N 1 0 319.396 3.185 10 0 DGAERO Cn1cccc1C(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000193436979 432474030 /nfs/dbraw/zinc/47/40/30/432474030.db2.gz KYJAOMVKZFAWPW-MRXNPFEDSA-N 1 0 300.377 3.054 10 0 DGAERO CCN(C)[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)c1ccccc1 ZINC000262125402 432474695 /nfs/dbraw/zinc/47/46/95/432474695.db2.gz XRNGPPOKBIAVQI-KRWDZBQOSA-N 1 0 322.412 3.236 10 0 DGAERO CN(Cc1ccc(F)cc1Br)C[C@]1(C)CC[NH2+]C1 ZINC000262126984 432474900 /nfs/dbraw/zinc/47/49/00/432474900.db2.gz XTIUITFHJBPKDP-CQSZACIVSA-N 1 0 315.230 3.020 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262122213 432475905 /nfs/dbraw/zinc/47/59/05/432475905.db2.gz XJEJXKRMXVBSJU-MAUKXSAKSA-N 1 0 321.896 3.018 10 0 DGAERO CC(C)C[C@H](C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000185196932 432476452 /nfs/dbraw/zinc/47/64/52/432476452.db2.gz JSJHHRDPXDOSSI-INIZCTEOSA-N 1 0 302.462 3.233 10 0 DGAERO CC(C)O[C@H]1C[C@H]([NH2+]CCCc2nc(C(C)C)no2)C1(C)C ZINC000185214590 432477593 /nfs/dbraw/zinc/47/75/93/432477593.db2.gz IPHZUBCXSHGLNQ-KBPBESRZSA-N 1 0 309.454 3.307 10 0 DGAERO O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262230115 432478453 /nfs/dbraw/zinc/47/84/53/432478453.db2.gz QGWNUIXCKDHVTM-QVHKTLOISA-N 1 0 318.383 3.004 10 0 DGAERO CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@@H]2c3ccccc3NC2=O)C1(C)C ZINC000185239210 432481631 /nfs/dbraw/zinc/48/16/31/432481631.db2.gz SIOOYPCPGFTDJH-HYVNUMGLSA-N 1 0 316.445 3.294 10 0 DGAERO CCCCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154227363 432482458 /nfs/dbraw/zinc/48/24/58/432482458.db2.gz YKPVMFFQTMSEMT-WBVHZDCISA-N 1 0 310.482 3.105 10 0 DGAERO CCOc1ccccc1CN1CC[S@@](=O)C(CC)(CC)C1 ZINC000185244830 432482874 /nfs/dbraw/zinc/48/28/74/432482874.db2.gz NRULVEOSMNRKFQ-OAQYLSRUSA-N 1 0 309.475 3.208 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185250919 432483224 /nfs/dbraw/zinc/48/32/24/432483224.db2.gz PJKYLVPAXUKSLJ-SJORKVTESA-N 1 0 307.482 3.151 10 0 DGAERO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000185269598 432483790 /nfs/dbraw/zinc/48/37/90/432483790.db2.gz BUGADPPXOSECNT-CQSZACIVSA-N 1 0 321.440 3.116 10 0 DGAERO Cc1cc(NC(=O)CN(C)c2c(C)c[nH+]c3c(C)cccc32)no1 ZINC000185256110 432484590 /nfs/dbraw/zinc/48/45/90/432484590.db2.gz LDGZVHGSSCRRJM-UHFFFAOYSA-N 1 0 324.384 3.223 10 0 DGAERO CC(C)Oc1ccc(NC(=O)c2ccnc(C[NH3+])c2)cc1Cl ZINC000262379621 432485289 /nfs/dbraw/zinc/48/52/89/432485289.db2.gz YOJHIBITTQKIMT-UHFFFAOYSA-N 1 0 319.792 3.233 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000175998454 432485848 /nfs/dbraw/zinc/48/58/48/432485848.db2.gz HEDMHJWGFTZSNO-GOSISDBHSA-N 1 0 301.434 3.354 10 0 DGAERO CN(Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000262460464 432486168 /nfs/dbraw/zinc/48/61/68/432486168.db2.gz IMZKPWZNNDPLMO-INIZCTEOSA-N 1 0 303.381 3.055 10 0 DGAERO CSCc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000176010501 432487463 /nfs/dbraw/zinc/48/74/63/432487463.db2.gz XBJSJMXCYMPUGW-BBRMVZONSA-N 1 0 321.490 3.496 10 0 DGAERO CC(C)[C@H]1CCCC[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262491923 432487801 /nfs/dbraw/zinc/48/78/01/432487801.db2.gz HSBXOBHYCATSKE-VEDRIOIWSA-N 1 0 306.494 3.471 10 0 DGAERO COC(=O)c1cc2cc(C[N@H+](C)[C@H](CO)CC(C)C)ccc2o1 ZINC000185313827 432488523 /nfs/dbraw/zinc/48/85/23/432488523.db2.gz IHBIDUMZNAWLOE-HNNXBMFYSA-N 1 0 319.401 3.058 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC(C)(C)C)cc2)C1 ZINC000176029898 432488779 /nfs/dbraw/zinc/48/87/79/432488779.db2.gz NQYIKDQKWJKVNU-OAHLLOKOSA-N 1 0 304.434 3.078 10 0 DGAERO C[C@@H](C(=O)N1CCC[C@@H]1c1cccc2ccccc21)C1C[NH2+]C1 ZINC000262548863 432489112 /nfs/dbraw/zinc/48/91/12/432489112.db2.gz OLDWOKDSFYHTHP-AUUYWEPGSA-N 1 0 308.425 3.359 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC(c2ccccc2)CC1 ZINC000262534829 432489254 /nfs/dbraw/zinc/48/92/54/432489254.db2.gz QDLZEIRPKYXSEK-KRWDZBQOSA-N 1 0 300.446 3.171 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC(c2ccccc2)CC1 ZINC000262534830 432489946 /nfs/dbraw/zinc/48/99/46/432489946.db2.gz QDLZEIRPKYXSEK-QGZVFWFLSA-N 1 0 300.446 3.171 10 0 DGAERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1Cl ZINC000262568356 432491634 /nfs/dbraw/zinc/49/16/34/432491634.db2.gz XBVHXXKYRPEJEF-DXCKQFNASA-N 1 0 322.836 3.119 10 0 DGAERO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262595034 432493568 /nfs/dbraw/zinc/49/35/68/432493568.db2.gz IZLCBSMYFSGILE-DLBZAZTESA-N 1 0 318.461 3.096 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000185353499 432494005 /nfs/dbraw/zinc/49/40/05/432494005.db2.gz BLOFSUNNBJABCW-GFCCVEGCSA-N 1 0 311.376 3.270 10 0 DGAERO Cc1ccc(-c2cc(C[N@@H+](C)[C@H](CO)CC(C)C)on2)cc1 ZINC000185352824 432494337 /nfs/dbraw/zinc/49/43/37/432494337.db2.gz QOWGLCPSNYBKBT-INIZCTEOSA-N 1 0 302.418 3.489 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000176338632 432512859 /nfs/dbraw/zinc/51/28/59/432512859.db2.gz YOPZQXDWKIYGPW-RHSMWYFYSA-N 1 0 319.449 3.342 10 0 DGAERO Cc1[nH]c2ccc(CNC(=O)[C@@H]([NH3+])c3ccc(C)cc3)cc2c1C ZINC000262675629 432497886 /nfs/dbraw/zinc/49/78/86/432497886.db2.gz UDMCJNSNPPNTJG-IBGZPJMESA-N 1 0 321.424 3.409 10 0 DGAERO C[NH+](C)C1CCN(Cc2csc(Cc3ccccc3)n2)CC1 ZINC000193821680 432500844 /nfs/dbraw/zinc/50/08/44/432500844.db2.gz DEEBVSWEIXWYOO-UHFFFAOYSA-N 1 0 315.486 3.260 10 0 DGAERO [NH3+]Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)co1 ZINC000262756517 432501063 /nfs/dbraw/zinc/50/10/63/432501063.db2.gz BNMDEDDMSIQUGL-INIZCTEOSA-N 1 0 302.349 3.245 10 0 DGAERO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(F)cc1F ZINC000176335009 432512953 /nfs/dbraw/zinc/51/29/53/432512953.db2.gz FVHZYBAGWAAXFK-AWEZNQCLSA-N 1 0 322.399 3.364 10 0 DGAERO [NH3+]Cc1cc(NC(=O)CC(F)(F)F)cc(C(F)(F)F)c1 ZINC000262928139 432508609 /nfs/dbraw/zinc/50/86/09/432508609.db2.gz FYPDFUYUJAEYQZ-UHFFFAOYSA-N 1 0 300.202 3.055 10 0 DGAERO FC(F)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261927670 432461569 /nfs/dbraw/zinc/46/15/69/432461569.db2.gz LEAKZCGTHPCHGX-MRXNPFEDSA-N 1 0 303.356 3.166 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000185075551 432463418 /nfs/dbraw/zinc/46/34/18/432463418.db2.gz WGJRNIXWWZLEGJ-IRXDYDNUSA-N 1 0 306.425 3.008 10 0 DGAERO COC[C@](C)(CCO)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000193301275 432463486 /nfs/dbraw/zinc/46/34/86/432463486.db2.gz CWUGPUWPMQXZJT-HNNXBMFYSA-N 1 0 320.260 3.303 10 0 DGAERO CC1CC[NH+](CCN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)CC1 ZINC000154026857 432465193 /nfs/dbraw/zinc/46/51/93/432465193.db2.gz RSAFLRIPJYFPFD-APWZRJJASA-N 1 0 320.452 3.319 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc21 ZINC000175806042 432466986 /nfs/dbraw/zinc/46/69/86/432466986.db2.gz UBJQRPRTWGZBLQ-LBPRGKRZSA-N 1 0 319.424 3.322 10 0 DGAERO CCN(Cc1ccccc1Br)C[C@@]1(C)CC[NH2+]C1 ZINC000262010827 432467076 /nfs/dbraw/zinc/46/70/76/432467076.db2.gz MFUSUWPCJXFCMH-HNNXBMFYSA-N 1 0 311.267 3.271 10 0 DGAERO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000262013202 432468545 /nfs/dbraw/zinc/46/85/45/432468545.db2.gz VTBDDYUVWYEMDA-OTWHNJEPSA-N 1 0 316.489 3.019 10 0 DGAERO CCCCOC[C@H](O)C[N@H+](CC)Cc1ccc(Cl)s1 ZINC000193367080 432469405 /nfs/dbraw/zinc/46/94/05/432469405.db2.gz MQOLICHPZADOEH-GFCCVEGCSA-N 1 0 305.871 3.401 10 0 DGAERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000155338706 432551560 /nfs/dbraw/zinc/55/15/60/432551560.db2.gz LEBOFBSFZOJILZ-ZOBUZTSGSA-N 1 0 318.461 3.227 10 0 DGAERO Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC2 ZINC000176798243 432553517 /nfs/dbraw/zinc/55/35/17/432553517.db2.gz XHIBMFLHRJGSFM-GOSISDBHSA-N 1 0 324.428 3.377 10 0 DGAERO COc1ccccc1[C@@H](O)CNc1cc(C(F)(F)F)ccn1 ZINC000176790743 432554128 /nfs/dbraw/zinc/55/41/28/432554128.db2.gz ALUXONGFVFWNMV-LBPRGKRZSA-N 1 0 312.291 3.255 10 0 DGAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C/C=C/c1cccc(F)c1 ZINC000176828386 432556666 /nfs/dbraw/zinc/55/66/66/432556666.db2.gz MDVVFJFNAMRDIG-QQOXCAACSA-N 1 0 304.409 3.028 10 0 DGAERO CCc1ccc(CCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155563102 432560412 /nfs/dbraw/zinc/56/04/12/432560412.db2.gz MQFUUJQHLMKWSM-MAUKXSAKSA-N 1 0 302.462 3.027 10 0 DGAERO Cc1ccc2cccc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)c2n1 ZINC000155571104 432562606 /nfs/dbraw/zinc/56/26/06/432562606.db2.gz ZLOGOQDZICJQHT-SUMWQHHRSA-N 1 0 311.429 3.002 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000194635214 432563675 /nfs/dbraw/zinc/56/36/75/432563675.db2.gz GWRVUFUCKUSTTR-CYBMUJFWSA-N 1 0 316.376 3.300 10 0 DGAERO Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCCc2ccc(F)cc2)o1 ZINC000194022109 432517183 /nfs/dbraw/zinc/51/71/83/432517183.db2.gz CVONHRCKILULKE-KBPBESRZSA-N 1 0 318.392 3.125 10 0 DGAERO COc1ccc([C@H](C)[NH2+]Cc2cccnc2N(C)C)cc1F ZINC000154745614 432517416 /nfs/dbraw/zinc/51/74/16/432517416.db2.gz BHXDOPNABUDZSL-LBPRGKRZSA-N 1 0 303.381 3.146 10 0 DGAERO C[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1ccc(F)cc1F ZINC000263123574 432521718 /nfs/dbraw/zinc/52/17/18/432521718.db2.gz BDBNIMMZNDESFP-WHCBVINPSA-N 1 0 310.388 3.092 10 0 DGAERO Cc1ccc(CN(C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000194069234 432521838 /nfs/dbraw/zinc/52/18/38/432521838.db2.gz LHTOUTZSMCEBGJ-HUUCEWRRSA-N 1 0 321.465 3.097 10 0 DGAERO CC(=O)c1cccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000185665531 432522745 /nfs/dbraw/zinc/52/27/45/432522745.db2.gz QMOHNWHEMBWJMS-CQSZACIVSA-N 1 0 317.433 3.275 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc(C)on2)cc1 ZINC000194076397 432523632 /nfs/dbraw/zinc/52/36/32/432523632.db2.gz HMYFLIRSZICFTH-ZDUSSCGKSA-N 1 0 301.390 3.225 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(SC)ccc2Cl)C1 ZINC000194631846 432564463 /nfs/dbraw/zinc/56/44/63/432564463.db2.gz NMOGUTGJVOTBPC-LLVKDONJSA-N 1 0 312.866 3.276 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](Cc1scnc1C)Cc1ccccc1 ZINC000154961106 432532482 /nfs/dbraw/zinc/53/24/82/432532482.db2.gz JYGYNCNVJCQFTF-CYBMUJFWSA-N 1 0 318.442 3.263 10 0 DGAERO C[C@@H]1CC[C@H](C)CN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000176638673 432538865 /nfs/dbraw/zinc/53/88/65/432538865.db2.gz GKKXUGGJBQSRKJ-DLBZAZTESA-N 1 0 309.498 3.473 10 0 DGAERO CCCOc1ccccc1NC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194322669 432541386 /nfs/dbraw/zinc/54/13/86/432541386.db2.gz YCYYJGHFIPJSNK-CQSZACIVSA-N 1 0 305.422 3.081 10 0 DGAERO CCCOc1cccc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000194334824 432542665 /nfs/dbraw/zinc/54/26/65/432542665.db2.gz YSXQSKBUQODKQC-OAHLLOKOSA-N 1 0 305.422 3.081 10 0 DGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000176909241 432564936 /nfs/dbraw/zinc/56/49/36/432564936.db2.gz ARELIVVDJPHFQX-HOTGVXAUSA-N 1 0 301.434 3.298 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2CCCC3(CC3)C2)[C@@H]1c1ccccc1 ZINC000185906706 432544289 /nfs/dbraw/zinc/54/42/89/432544289.db2.gz GQIHYVZRXAQSER-IRXDYDNUSA-N 1 0 313.445 3.017 10 0 DGAERO Clc1csc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000194376256 432546374 /nfs/dbraw/zinc/54/63/74/432546374.db2.gz XVQOTYMHPDCNAS-CQSZACIVSA-N 1 0 314.882 3.088 10 0 DGAERO Cc1cc(C)c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000176714079 432546972 /nfs/dbraw/zinc/54/69/72/432546972.db2.gz PXJATHQGZFPTDW-UHFFFAOYSA-N 1 0 304.365 3.027 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000176722263 432547113 /nfs/dbraw/zinc/54/71/13/432547113.db2.gz DJHKTSWJEAOZGV-RRFJBIMHSA-N 1 0 306.454 3.163 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(OC(C)(C)C)cc1 ZINC000156746201 432605933 /nfs/dbraw/zinc/60/59/33/432605933.db2.gz ZITXQZZAPDQWME-JKSUJKDBSA-N 1 0 320.477 3.235 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1F ZINC000156810320 432608417 /nfs/dbraw/zinc/60/84/17/432608417.db2.gz PBBSFWNJWHXBKH-CQSZACIVSA-N 1 0 321.440 3.367 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccc(Cl)cc1 ZINC000177293984 432609013 /nfs/dbraw/zinc/60/90/13/432609013.db2.gz WJZHOWGFRACBGL-MRXNPFEDSA-N 1 0 323.868 3.008 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1-n1cccn1 ZINC000177305502 432611226 /nfs/dbraw/zinc/61/12/26/432611226.db2.gz ATJIVMBEWXHKKL-AEFFLSMTSA-N 1 0 321.424 3.127 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186618682 432614730 /nfs/dbraw/zinc/61/47/30/432614730.db2.gz WBZLBUXDCJACIY-YMAMQOFZSA-N 1 0 322.415 3.056 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C12CCOCC2 ZINC000186196140 432568272 /nfs/dbraw/zinc/56/82/72/432568272.db2.gz LXXBLHRNEYHBJS-IAOVAPTHSA-N 1 0 307.409 3.451 10 0 DGAERO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186203344 432568352 /nfs/dbraw/zinc/56/83/52/432568352.db2.gz LXROXGNAIMWZBS-ZFWWWQNUSA-N 1 0 322.424 3.048 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)C12CCOCC2 ZINC000186209634 432568932 /nfs/dbraw/zinc/56/89/32/432568932.db2.gz UPRAMPZDXMJVTM-BPQIPLTHSA-N 1 0 317.429 3.074 10 0 DGAERO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000194694551 432569394 /nfs/dbraw/zinc/56/93/94/432569394.db2.gz BEVBKTNVSCXNGH-HOTGVXAUSA-N 1 0 318.461 3.096 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000176972842 432570543 /nfs/dbraw/zinc/57/05/43/432570543.db2.gz GWUOHDKATSTUOU-PBHICJAKSA-N 1 0 306.425 3.262 10 0 DGAERO COc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1F ZINC000186230310 432571802 /nfs/dbraw/zinc/57/18/02/432571802.db2.gz RGRNOLMWOGHLMI-ZDUSSCGKSA-N 1 0 323.412 3.220 10 0 DGAERO CCC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cccnc1 ZINC000186227553 432571888 /nfs/dbraw/zinc/57/18/88/432571888.db2.gz WQPRQKGAUQUITH-GOSISDBHSA-N 1 0 300.450 3.496 10 0 DGAERO CCSc1cccc(CN2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000186239314 432572402 /nfs/dbraw/zinc/57/24/02/432572402.db2.gz UZKMIMNBBRGOQP-ZDUSSCGKSA-N 1 0 305.365 3.298 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](C)c1ccccc1OC ZINC000176991720 432572858 /nfs/dbraw/zinc/57/28/58/432572858.db2.gz FGFAYVXJTFVTHJ-HZPDHXFCSA-N 1 0 318.461 3.132 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000177007631 432573676 /nfs/dbraw/zinc/57/36/76/432573676.db2.gz QLGGHSUEMAYIRU-INIZCTEOSA-N 1 0 305.466 3.242 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(OCC2CC2)cc1 ZINC000176995120 432574718 /nfs/dbraw/zinc/57/47/18/432574718.db2.gz PSUUHGLZMFGXNM-KRWDZBQOSA-N 1 0 316.445 3.032 10 0 DGAERO C[C@@H]1CSCC[N@@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000176999946 432574841 /nfs/dbraw/zinc/57/48/41/432574841.db2.gz OEGCUGPUOLQJIJ-GFCCVEGCSA-N 1 0 310.488 3.398 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc2ccccc2c1 ZINC000177017885 432575587 /nfs/dbraw/zinc/57/55/87/432575587.db2.gz ZGTLTDQXOXVVAC-LJQANCHMSA-N 1 0 310.441 3.325 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CC)cc2)C12CCOCC2 ZINC000186296724 432579426 /nfs/dbraw/zinc/57/94/26/432579426.db2.gz HQUZKTSSGUFDDS-ZWKOTPCHSA-N 1 0 303.446 3.313 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCCNc2ccccc2)C12CCOCC2 ZINC000186345862 432584932 /nfs/dbraw/zinc/58/49/32/432584932.db2.gz BDVOQCKTSKGQHV-ZWKOTPCHSA-N 1 0 318.461 3.052 10 0 DGAERO COC(=O)[C@@]1(C)CCCN1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000186370782 432587158 /nfs/dbraw/zinc/58/71/58/432587158.db2.gz GMDQEYCNMAAPIY-LJQANCHMSA-N 1 0 317.429 3.342 10 0 DGAERO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccsc1C(=O)OC ZINC000194938600 432587648 /nfs/dbraw/zinc/58/76/48/432587648.db2.gz VSISTBHUOYXPBN-INIZCTEOSA-N 1 0 311.447 3.316 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000156140967 432589376 /nfs/dbraw/zinc/58/93/76/432589376.db2.gz LIXIVBZPIXUZHD-CKEIUWERSA-N 1 0 317.433 3.094 10 0 DGAERO COc1cccc(C)c1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000195008913 432592055 /nfs/dbraw/zinc/59/20/55/432592055.db2.gz FQBJBNPYQVQRQA-OAHLLOKOSA-N 1 0 317.433 3.096 10 0 DGAERO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000186406735 432593045 /nfs/dbraw/zinc/59/30/45/432593045.db2.gz LNQGFFCUQRJCDZ-CRAIPNDOSA-N 1 0 306.425 3.186 10 0 DGAERO CCn1c(C)nnc1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000195020281 432594682 /nfs/dbraw/zinc/59/46/82/432594682.db2.gz WPFSWHKNYODAAO-UHFFFAOYSA-N 1 0 312.339 3.257 10 0 DGAERO O=C(CCc1ccc(Cl)s1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195054195 432597565 /nfs/dbraw/zinc/59/75/65/432597565.db2.gz KVBLNZBTYKQBML-LBPRGKRZSA-N 1 0 312.866 3.031 10 0 DGAERO C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccnc1 ZINC000177237996 432601693 /nfs/dbraw/zinc/60/16/93/432601693.db2.gz CVXPWCJYJWCCBO-OAHLLOKOSA-N 1 0 315.461 3.098 10 0 DGAERO O=C(CC1CCCC1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000195100552 432602498 /nfs/dbraw/zinc/60/24/98/432602498.db2.gz WFHZUGCSLZYDTM-UHFFFAOYSA-N 1 0 306.475 3.409 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(F)c(OC)cc1C ZINC000186724591 432624889 /nfs/dbraw/zinc/62/48/89/432624889.db2.gz ZZEADVUKRJHFNG-ZDUSSCGKSA-N 1 0 323.412 3.091 10 0 DGAERO COc1cccc(/C(C)=C/C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000177447954 432625089 /nfs/dbraw/zinc/62/50/89/432625089.db2.gz FWRFQLXUEXMPSH-UCGSKFKCSA-N 1 0 316.445 3.040 10 0 DGAERO CCc1cccc(OCC[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000195502618 432625267 /nfs/dbraw/zinc/62/52/67/432625267.db2.gz OOUAUQJIYJSJJV-UHFFFAOYSA-N 1 0 313.445 3.241 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2C)CC1 ZINC000157656827 432626467 /nfs/dbraw/zinc/62/64/67/432626467.db2.gz KNPNJTQISWWJMZ-UHFFFAOYSA-N 1 0 307.413 3.378 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000157769684 432627786 /nfs/dbraw/zinc/62/77/86/432627786.db2.gz IXEUOZQQKRUMKD-DOTOQJQBSA-N 1 0 309.498 3.329 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1c(C)cccc1C ZINC000177508717 432631442 /nfs/dbraw/zinc/63/14/42/432631442.db2.gz KOLXLBIBVKXGSI-JKSUJKDBSA-N 1 0 301.434 3.394 10 0 DGAERO CCOc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000177506797 432631963 /nfs/dbraw/zinc/63/19/63/432631963.db2.gz XQRJGBYFIBWXJR-LSDHHAIUSA-N 1 0 317.433 3.176 10 0 DGAERO CCc1ccccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000177510804 432632680 /nfs/dbraw/zinc/63/26/80/432632680.db2.gz ZYJVUYQRIMEIDS-JKSUJKDBSA-N 1 0 301.434 3.340 10 0 DGAERO COc1c(C[NH+]2CCC(Cc3ccccc3)CC2)c(C)nn1C ZINC000157970858 432635383 /nfs/dbraw/zinc/63/53/83/432635383.db2.gz PHSBRHQBEKMMPL-UHFFFAOYSA-N 1 0 313.445 3.192 10 0 DGAERO Cc1cccc2c(NC[C@@H](O)C3CCOCC3)c(C)c[nH+]c12 ZINC000274200787 432637775 /nfs/dbraw/zinc/63/77/75/432637775.db2.gz UBUATUNIFBLQQR-MRXNPFEDSA-N 1 0 300.402 3.051 10 0 DGAERO CCC[N@@H+](Cc1csc(CC(=O)NC)n1)CC1CCCCC1 ZINC000177578390 432639912 /nfs/dbraw/zinc/63/99/12/432639912.db2.gz HHVSMZLZVZXHDW-UHFFFAOYSA-N 1 0 323.506 3.224 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000158183391 432640437 /nfs/dbraw/zinc/64/04/37/432640437.db2.gz HQBUTWIVWHBESR-GUYCJALGSA-N 1 0 313.445 3.197 10 0 DGAERO COC[C@@H](C)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000187077157 432645286 /nfs/dbraw/zinc/64/52/86/432645286.db2.gz PPHOQLIRGWQKBS-HNNXBMFYSA-N 1 0 302.418 3.489 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(c3cccnn3)CC2)C1 ZINC000187112052 432647149 /nfs/dbraw/zinc/64/71/49/432647149.db2.gz KRQOWQVLLJHTAS-QUCCMNQESA-N 1 0 322.456 3.109 10 0 DGAERO Cc1[nH+]c2c(Cl)cccc2c(N2CC[C@](C)(C(N)=O)C2)c1C ZINC000291000517 282006604 /nfs/dbraw/zinc/00/66/04/282006604.db2.gz VAWFGFOZXDQSMR-KRWDZBQOSA-N 1 0 317.820 3.207 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(F)cc2cccnc21 ZINC000177700622 432652028 /nfs/dbraw/zinc/65/20/28/432652028.db2.gz GFUQVDRKIASTOM-KRWDZBQOSA-N 1 0 301.409 3.290 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc2cc(Cl)ccc2n1C ZINC000177697285 432652436 /nfs/dbraw/zinc/65/24/36/432652436.db2.gz FNSQBSJCFIFBMM-AWEZNQCLSA-N 1 0 320.868 3.143 10 0 DGAERO COc1c(C)cc(C[N@H+](C)[C@H]2CCCN(C(C)C)C2=O)cc1C ZINC000177700684 432652950 /nfs/dbraw/zinc/65/29/50/432652950.db2.gz PAZLSPHLPOQCJS-KRWDZBQOSA-N 1 0 318.461 3.143 10 0 DGAERO C[C@H](CCn1cccn1)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000158707364 432655417 /nfs/dbraw/zinc/65/54/17/432655417.db2.gz WKLXFLVEZFWCCX-VQIMIIECSA-N 1 0 306.413 3.436 10 0 DGAERO CO[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1(C)C ZINC000217857898 432656724 /nfs/dbraw/zinc/65/67/24/432656724.db2.gz QZMUWATYACPQOH-STQMWFEESA-N 1 0 316.214 3.491 10 0 DGAERO c1csc(-c2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)co2)c1 ZINC000177778090 432660612 /nfs/dbraw/zinc/66/06/12/432660612.db2.gz AQLOXZTVJVPKGL-CQSZACIVSA-N 1 0 303.431 3.073 10 0 DGAERO c1cc(-c2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)cs2)co1 ZINC000177775260 432660885 /nfs/dbraw/zinc/66/08/85/432660885.db2.gz GAPFVRMERIOYLN-OAHLLOKOSA-N 1 0 303.431 3.073 10 0 DGAERO CCC(CC)NC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159033285 432665934 /nfs/dbraw/zinc/66/59/34/432665934.db2.gz XJYMMVSQDRBXKG-SFHVURJKSA-N 1 0 317.477 3.481 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC000159003385 432667180 /nfs/dbraw/zinc/66/71/80/432667180.db2.gz JYWDGJHSFGLMFF-MCMJNGCASA-N 1 0 304.478 3.048 10 0 DGAERO CC[C@H](C)C[N@H+](CC)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000177856291 432668010 /nfs/dbraw/zinc/66/80/10/432668010.db2.gz BYSISONUAQEAPT-STQMWFEESA-N 1 0 308.388 3.155 10 0 DGAERO C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000178136822 432698246 /nfs/dbraw/zinc/69/82/46/432698246.db2.gz QIYLIVHMWFBCRI-PXTSUWAFSA-N 1 0 305.385 3.026 10 0 DGAERO COCCC[C@@H](C)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000178146381 432698328 /nfs/dbraw/zinc/69/83/28/432698328.db2.gz FUHAGRIQGJPGDP-IEBWSBKVSA-N 1 0 304.478 3.446 10 0 DGAERO C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000178136834 432698837 /nfs/dbraw/zinc/69/88/37/432698837.db2.gz QIYLIVHMWFBCRI-SBJJXXPASA-N 1 0 305.385 3.026 10 0 DGAERO COCCC[C@@H](C)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188003312 432698933 /nfs/dbraw/zinc/69/89/33/432698933.db2.gz HYSVCVSIOQFKOD-CQSZACIVSA-N 1 0 310.869 3.103 10 0 DGAERO Cc1cc(C(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c(C)n1C1CC1 ZINC000188003513 432699112 /nfs/dbraw/zinc/69/91/12/432699112.db2.gz PELIIMWDHVHOEU-DJJJIMSYSA-N 1 0 318.461 3.105 10 0 DGAERO C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1ccccn1 ZINC000188006558 432699351 /nfs/dbraw/zinc/69/93/51/432699351.db2.gz BCFXMHZQBCOMPK-AWEZNQCLSA-N 1 0 315.848 3.444 10 0 DGAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(F)cc1OC(F)F ZINC000188072036 432701434 /nfs/dbraw/zinc/70/14/34/432701434.db2.gz SMASZIIYZDBRGN-JTQLQIEISA-N 1 0 303.324 3.240 10 0 DGAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccccc1OC(F)(F)F ZINC000188064618 432701547 /nfs/dbraw/zinc/70/15/47/432701547.db2.gz ASDNRZSNWVMOTK-NSHDSACASA-N 1 0 303.324 3.398 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000188076706 432704471 /nfs/dbraw/zinc/70/44/71/432704471.db2.gz XYNPBBYTNCZWNN-OLZOCXBDSA-N 1 0 303.425 3.328 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@@H]2CCc3ncnn3C2)C2CCCC2)cc1 ZINC000188182404 432709911 /nfs/dbraw/zinc/70/99/11/432709911.db2.gz LIRVILHDFIKKDK-IEBWSBKVSA-N 1 0 310.445 3.422 10 0 DGAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1C ZINC000227687037 432714027 /nfs/dbraw/zinc/71/40/27/432714027.db2.gz XSKZOWAOBGEYNC-VXGBXAGGSA-N 1 0 324.469 3.084 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@@H]1C ZINC000188325220 432717846 /nfs/dbraw/zinc/71/78/46/432717846.db2.gz VSGKVQVEAZRDKR-HZMBPMFUSA-N 1 0 303.324 3.284 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)cc21 ZINC000159102338 432670957 /nfs/dbraw/zinc/67/09/57/432670957.db2.gz HLOZXLYXSPROAY-SJCJKPOMSA-N 1 0 317.408 3.074 10 0 DGAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)CC)CC2)cc1 ZINC000159156045 432672021 /nfs/dbraw/zinc/67/20/21/432672021.db2.gz NGJLYEDPSPAOHW-AWEZNQCLSA-N 1 0 304.434 3.078 10 0 DGAERO CCc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000159170988 432672623 /nfs/dbraw/zinc/67/26/23/432672623.db2.gz NQUYGJITBGCLNX-DOMZBBRYSA-N 1 0 307.413 3.335 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)cc1 ZINC000159196834 432673846 /nfs/dbraw/zinc/67/38/46/432673846.db2.gz SDMRLQXCCIYMRP-APWZRJJASA-N 1 0 310.441 3.345 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000187660885 432675154 /nfs/dbraw/zinc/67/51/54/432675154.db2.gz UDHRPXQLSJHNFX-PBHICJAKSA-N 1 0 310.869 3.349 10 0 DGAERO C[C@@H]1CN(c2ccc(C[NH2+]CCC(C)(C)C)cn2)C[C@@H](C)O1 ZINC000187670615 432675984 /nfs/dbraw/zinc/67/59/84/432675984.db2.gz XQXKIGFEUTZIJT-HUUCEWRRSA-N 1 0 305.466 3.221 10 0 DGAERO CCc1oc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1C ZINC000177975998 432680380 /nfs/dbraw/zinc/68/03/80/432680380.db2.gz DBHOWKDNMMONPM-UHFFFAOYSA-N 1 0 306.450 3.487 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCOCC(F)(F)F ZINC000159360867 432680616 /nfs/dbraw/zinc/68/06/16/432680616.db2.gz IPLLVHBCRBDJKS-JTQLQIEISA-N 1 0 307.360 3.176 10 0 DGAERO COc1ccc(OC)c([C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000224760779 432683378 /nfs/dbraw/zinc/68/33/78/432683378.db2.gz DSOLZVQSNKTJGE-LJQANCHMSA-N 1 0 313.397 3.277 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)s1 ZINC000178024050 432685930 /nfs/dbraw/zinc/68/59/30/432685930.db2.gz JUOPUAZVMMIAOM-CYBMUJFWSA-N 1 0 302.443 3.391 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)O1 ZINC000187843014 432687979 /nfs/dbraw/zinc/68/79/79/432687979.db2.gz LBJNRUDQWHAYBJ-IBGZPJMESA-N 1 0 316.489 3.241 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)O1 ZINC000187842985 432689034 /nfs/dbraw/zinc/68/90/34/432689034.db2.gz LBJNRUDQWHAYBJ-LJQANCHMSA-N 1 0 316.489 3.241 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)s1 ZINC000178050279 432689155 /nfs/dbraw/zinc/68/91/55/432689155.db2.gz ADPLVEJZIJDYBQ-SNVBAGLBSA-N 1 0 319.821 3.228 10 0 DGAERO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187853470 432690830 /nfs/dbraw/zinc/69/08/30/432690830.db2.gz CFRUFKQEDKZWRS-IUODEOHRSA-N 1 0 308.397 3.090 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000187907589 432691269 /nfs/dbraw/zinc/69/12/69/432691269.db2.gz FWAWVCVWRUHLDA-UGSOOPFHSA-N 1 0 318.392 3.464 10 0 DGAERO COC[C@H]([NH2+]CCc1ccc2ccccc2c1)C1CCOCC1 ZINC000187880769 432691800 /nfs/dbraw/zinc/69/18/00/432691800.db2.gz LCRSWBBOJCBVGF-FQEVSTJZSA-N 1 0 313.441 3.414 10 0 DGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236569853 432748395 /nfs/dbraw/zinc/74/83/95/432748395.db2.gz KQTZOBQWMDPZLX-GWCFXTLKSA-N 1 0 318.642 3.353 10 0 DGAERO C[N@H+](Cc1cc2ccccc2o1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000178529287 432749098 /nfs/dbraw/zinc/74/90/98/432749098.db2.gz JHDWOWYCEMQCCF-MRXNPFEDSA-N 1 0 322.412 3.324 10 0 DGAERO CC(C)c1ccc(CCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000236641483 432752606 /nfs/dbraw/zinc/75/26/06/432752606.db2.gz FZMIFASRYFVIKO-MSOLQXFVSA-N 1 0 302.462 3.376 10 0 DGAERO CC(C)c1ccc(CCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000236641938 432752651 /nfs/dbraw/zinc/75/26/51/432752651.db2.gz FZMIFASRYFVIKO-ZWKOTPCHSA-N 1 0 302.462 3.376 10 0 DGAERO O[C@H]1C[C@H](c2cc(F)ccc2F)N(c2ccncc2Cl)C1 ZINC000178559815 432752847 /nfs/dbraw/zinc/75/28/47/432752847.db2.gz WZEWILJQNGQIHY-ZUZCIYMTSA-N 1 0 310.731 3.326 10 0 DGAERO C[N@H+](Cc1ccccn1)[C@H]1CCCN(Cc2cscn2)CC1 ZINC000275850464 432755230 /nfs/dbraw/zinc/75/52/30/432755230.db2.gz WVNGRNGJZHVDPT-KRWDZBQOSA-N 1 0 316.474 3.025 10 0 DGAERO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)C(C)C)cc1 ZINC000178581033 432756102 /nfs/dbraw/zinc/75/61/02/432756102.db2.gz CHKJSFIVZWCTFF-UONOGXRCSA-N 1 0 312.479 3.391 10 0 DGAERO C[C@@H](CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000178641356 432761834 /nfs/dbraw/zinc/76/18/34/432761834.db2.gz OQWNDEAJZVSEBH-FUHWJXTLSA-N 1 0 300.446 3.267 10 0 DGAERO CCCC(CCC)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189060912 432762512 /nfs/dbraw/zinc/76/25/12/432762512.db2.gz HHTJHRWZBSSZLY-KRWDZBQOSA-N 1 0 306.425 3.485 10 0 DGAERO c1cn(-c2cc(C[NH2+]Cc3cccc4[nH]ccc43)ccn2)cn1 ZINC000236767042 432764248 /nfs/dbraw/zinc/76/42/48/432764248.db2.gz PHCZXVIREUGMRD-UHFFFAOYSA-N 1 0 303.369 3.038 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)CC[C@@H]1C ZINC000189256996 432773573 /nfs/dbraw/zinc/77/35/73/432773573.db2.gz ZZICIEUDMQYSFV-WFASDCNBSA-N 1 0 317.351 3.485 10 0 DGAERO C[C@@H]1C(=O)NCCC[N@H+]1CCCSc1ccccc1Cl ZINC000189339568 432779042 /nfs/dbraw/zinc/77/90/42/432779042.db2.gz COQIBKYWCDVPAU-GFCCVEGCSA-N 1 0 312.866 3.033 10 0 DGAERO C[C@H]1C(=O)NCCC[N@H+]1CCCSc1ccccc1Cl ZINC000189339593 432779733 /nfs/dbraw/zinc/77/97/33/432779733.db2.gz COQIBKYWCDVPAU-LBPRGKRZSA-N 1 0 312.866 3.033 10 0 DGAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Br)c(F)c1 ZINC000161493530 432780736 /nfs/dbraw/zinc/78/07/36/432780736.db2.gz KFDKGPNTLKZYKR-HZMBPMFUSA-N 1 0 315.230 3.290 10 0 DGAERO CCc1ccccc1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000188550587 432732146 /nfs/dbraw/zinc/73/21/46/432732146.db2.gz ZWYHWRUNTAHSTR-TZIWHRDSSA-N 1 0 322.452 3.353 10 0 DGAERO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000160619533 432732502 /nfs/dbraw/zinc/73/25/02/432732502.db2.gz JIYNFEVGVDEKMZ-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO C[C@@H]([NH2+]CCSC(F)(F)F)c1ccc([S@@](C)=O)cc1 ZINC000178419131 432733976 /nfs/dbraw/zinc/73/39/76/432733976.db2.gz IWLDNFOSAMJGJJ-AYLIAGHASA-N 1 0 311.394 3.328 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2)[NH+](C)C ZINC000188629463 432735724 /nfs/dbraw/zinc/73/57/24/432735724.db2.gz AHSKUKIPHWBDHC-CXAGYDPISA-N 1 0 306.406 3.253 10 0 DGAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000275644119 432737178 /nfs/dbraw/zinc/73/71/78/432737178.db2.gz TWCJGGQOYFBJQR-QFBILLFUSA-N 1 0 324.428 3.252 10 0 DGAERO C[NH+](C)C1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000234253102 432738849 /nfs/dbraw/zinc/73/88/49/432738849.db2.gz JJXIVMCIHZUKGT-UHFFFAOYSA-N 1 0 318.646 3.028 10 0 DGAERO CC1(C)CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)c2cccc(Cl)c21 ZINC000178475919 432741569 /nfs/dbraw/zinc/74/15/69/432741569.db2.gz KLLHRNDUWSMXGA-NEPJUHHUSA-N 1 0 306.837 3.482 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000188798239 432746492 /nfs/dbraw/zinc/74/64/92/432746492.db2.gz PANKLGLJHWGFPZ-OLZOCXBDSA-N 1 0 313.401 3.460 10 0 DGAERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@@H](C)O3)c2C1 ZINC000162193861 432815943 /nfs/dbraw/zinc/81/59/43/432815943.db2.gz GDHWEOWJSPTFSZ-DYVFJYSZSA-N 1 0 302.418 3.164 10 0 DGAERO Cc1nc([C@@H]2CCCN2CC(=O)N(C)c2ccccc2)cs1 ZINC000189769222 432817404 /nfs/dbraw/zinc/81/74/04/432817404.db2.gz KFXOSOHBILCVOQ-INIZCTEOSA-N 1 0 315.442 3.251 10 0 DGAERO O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCCc2ccccc21 ZINC000243446418 432818672 /nfs/dbraw/zinc/81/86/72/432818672.db2.gz NEVNYJVJYAKMLV-UHFFFAOYSA-N 1 0 320.436 3.414 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc2nc(C3CC3)oc2c1)[NH+](C)C ZINC000162432251 432823553 /nfs/dbraw/zinc/82/35/53/432823553.db2.gz SHSKQIMMGDITSL-AWEZNQCLSA-N 1 0 301.390 3.374 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)CC2 ZINC000180613362 288636199 /nfs/dbraw/zinc/63/61/99/288636199.db2.gz IWHVBITVEKDTGB-HOCLYGCPSA-N 1 0 312.461 3.111 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(SC)c(OC)c1 ZINC000245412346 432827985 /nfs/dbraw/zinc/82/79/85/432827985.db2.gz AKKUEPNDACJDSZ-HOTGVXAUSA-N 1 0 320.502 3.476 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000245416323 432828093 /nfs/dbraw/zinc/82/80/93/432828093.db2.gz HTQZYAIQZLWFHJ-UKRRQHHQSA-N 1 0 323.506 3.113 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000245429151 432829441 /nfs/dbraw/zinc/82/94/41/432829441.db2.gz MXLVIVNATDGOCG-KSSFIOAISA-N 1 0 312.461 3.100 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)c(C)c1 ZINC000245427876 432829768 /nfs/dbraw/zinc/82/97/68/432829768.db2.gz IFJJOZRBBXIPID-IRXDYDNUSA-N 1 0 301.434 3.394 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C)c1C ZINC000245432952 432830357 /nfs/dbraw/zinc/83/03/57/432830357.db2.gz PBLYVXNXOCPIJL-HOTGVXAUSA-N 1 0 301.434 3.394 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(F)c1 ZINC000245436571 432831134 /nfs/dbraw/zinc/83/11/34/432831134.db2.gz VGMJLLRNIXPTMV-OLZOCXBDSA-N 1 0 309.360 3.055 10 0 DGAERO C[C@H](CCOc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245450107 432831323 /nfs/dbraw/zinc/83/13/23/432831323.db2.gz OHUMVAJLLZWBAQ-ZACQAIPSSA-N 1 0 318.461 3.033 10 0 DGAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000162673002 432831331 /nfs/dbraw/zinc/83/13/31/432831331.db2.gz PEIKGOWUECXLOE-DTWKUNHWSA-N 1 0 306.631 3.209 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000245457933 432833284 /nfs/dbraw/zinc/83/32/84/432833284.db2.gz CIAKRDBCFYPLCL-IAGOWNOFSA-N 1 0 317.477 3.490 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000245459903 432833312 /nfs/dbraw/zinc/83/33/12/432833312.db2.gz DUCCHHZMKFAXRD-LZLYRXPVSA-N 1 0 317.477 3.304 10 0 DGAERO Clc1cnc(NC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000162813392 432836010 /nfs/dbraw/zinc/83/60/10/432836010.db2.gz RQVMVOUMLUZCBL-SECBINFHSA-N 1 0 304.619 3.052 10 0 DGAERO CCC(O)(CC)C[N@H+](C)Cc1csc(Br)c1 ZINC000162894624 432837309 /nfs/dbraw/zinc/83/73/09/432837309.db2.gz SMUULDFSLZTWAC-UHFFFAOYSA-N 1 0 306.269 3.494 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161547918 432784493 /nfs/dbraw/zinc/78/44/93/432784493.db2.gz RPIXNKJXUHRHDP-JWTNVVGKSA-N 1 0 300.446 3.059 10 0 DGAERO COc1ccccc1CC[N@H+](C)CCCCn1ccnc1C ZINC000161656632 432791630 /nfs/dbraw/zinc/79/16/30/432791630.db2.gz AAHMAZQTQZEFTI-UHFFFAOYSA-N 1 0 301.434 3.155 10 0 DGAERO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC000189518920 432794428 /nfs/dbraw/zinc/79/44/28/432794428.db2.gz CWGPCDUTPCIXBL-UONOGXRCSA-N 1 0 308.495 3.237 10 0 DGAERO CCC[C@@H](C(=O)N[C@H]1CCOc2c(Cl)cccc21)[NH+](C)C ZINC000161745880 432795898 /nfs/dbraw/zinc/79/58/98/432795898.db2.gz UNBHCBQGSBPAKC-KBPBESRZSA-N 1 0 310.825 3.010 10 0 DGAERO CC[N@@H+](Cc1cc(F)cc2cccnc21)C[C@@H](O)C(F)(F)F ZINC000189539651 432797735 /nfs/dbraw/zinc/79/77/35/432797735.db2.gz ZZAGTPARMUXKDP-CYBMUJFWSA-N 1 0 316.298 3.119 10 0 DGAERO CC(C)CCn1cccc1C[NH2+]CCNC(=O)c1ccccc1 ZINC000161828362 432799522 /nfs/dbraw/zinc/79/95/22/432799522.db2.gz HNHZXISMMMSVPC-UHFFFAOYSA-N 1 0 313.445 3.054 10 0 DGAERO Cc1cccc(-c2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC000237812078 432800109 /nfs/dbraw/zinc/80/01/09/432800109.db2.gz ROXYBUUZEGHTLF-RBUKOAKNSA-N 1 0 308.425 3.406 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000237914777 432804966 /nfs/dbraw/zinc/80/49/66/432804966.db2.gz BGRLBKXGFYDYBZ-AAEUAGOBSA-N 1 0 312.866 3.066 10 0 DGAERO O=C(CCCCCc1cccs1)NCC[C@H]1CCC[NH2+]C1 ZINC000237981910 432806828 /nfs/dbraw/zinc/80/68/28/432806828.db2.gz GRPALWCPJQGVFZ-OAHLLOKOSA-N 1 0 308.491 3.357 10 0 DGAERO CC[C@]1(CO)CCC[N@@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000189652909 432807591 /nfs/dbraw/zinc/80/75/91/432807591.db2.gz ONJVCYNGVXBQIF-GOSISDBHSA-N 1 0 316.401 3.087 10 0 DGAERO C[C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)CS(C)(=O)=O ZINC000162053103 432810062 /nfs/dbraw/zinc/81/00/62/432810062.db2.gz KAZVAXXQYWKMFR-HNNXBMFYSA-N 1 0 317.454 3.046 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)O1 ZINC000189724793 432813843 /nfs/dbraw/zinc/81/38/43/432813843.db2.gz ZEOVEJXIYLFTCC-AWEZNQCLSA-N 1 0 306.425 3.473 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)O1 ZINC000189722168 432815228 /nfs/dbraw/zinc/81/52/28/432815228.db2.gz XQLULEOOCKHASP-ZWKOTPCHSA-N 1 0 319.445 3.292 10 0 DGAERO COCCCOc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000245512722 432839019 /nfs/dbraw/zinc/83/90/19/432839019.db2.gz ARYIXBJEPOJGCC-MOPGFXCFSA-N 1 0 319.445 3.245 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)c(SC)c1 ZINC000245744882 432860429 /nfs/dbraw/zinc/86/04/29/432860429.db2.gz MPNWCEABOGSZBT-KBPBESRZSA-N 1 0 322.449 3.246 10 0 DGAERO Clc1cccc(-c2n[nH]cc2CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245781420 432863522 /nfs/dbraw/zinc/86/35/22/432863522.db2.gz UJIKLANZQJPRJH-INIZCTEOSA-N 1 0 316.836 3.010 10 0 DGAERO C[C@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1N1CCOCC1 ZINC000245796691 432863775 /nfs/dbraw/zinc/86/37/75/432863775.db2.gz XBNXXBJDPKWLKD-WMLDXEAASA-N 1 0 316.470 3.054 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1N1CCOCC1 ZINC000245796686 432864121 /nfs/dbraw/zinc/86/41/21/432864121.db2.gz XBNXXBJDPKWLKD-RHSMWYFYSA-N 1 0 316.470 3.054 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cnc(-c3ccccc3)[nH]1)CC2 ZINC000245808117 432864451 /nfs/dbraw/zinc/86/44/51/432864451.db2.gz YWPVYZDGLOYENC-LPHOPBHVSA-N 1 0 311.429 3.204 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nc(CC)nc32)C1(CC)CC ZINC000245866880 432866673 /nfs/dbraw/zinc/86/66/73/432866673.db2.gz IUGUABIVCNRFSI-SOUVJXGZSA-N 1 0 320.481 3.249 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000245914854 432869062 /nfs/dbraw/zinc/86/90/62/432869062.db2.gz VYGPVJLPXWELMW-SOUVJXGZSA-N 1 0 323.506 3.186 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3cnn(C)c3)C1)[C@@H](C)C2 ZINC000245955492 432872339 /nfs/dbraw/zinc/87/23/39/432872339.db2.gz LTUFMCPDTQDYFB-RIFZZMRRSA-N 1 0 324.472 3.220 10 0 DGAERO COc1ccccc1O[C@H](C)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000245945924 432872457 /nfs/dbraw/zinc/87/24/57/432872457.db2.gz VSSUAXBJZSQFIB-DTDBQYNISA-N 1 0 319.445 3.256 10 0 DGAERO CCc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000245963687 432873548 /nfs/dbraw/zinc/87/35/48/432873548.db2.gz DFMCVXPYYLCBSI-PBHICJAKSA-N 1 0 303.450 3.443 10 0 DGAERO CCC[C@H](C[N@@H+]1CCN(C[C@H](C)O)[C@@H](CC)C1)c1ccccc1 ZINC000246015434 432874458 /nfs/dbraw/zinc/87/44/58/432874458.db2.gz ZCVQMKHSYJYXRB-SXLOBPIMSA-N 1 0 318.505 3.347 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(F)c2)[C@@H](C)C1 ZINC000246017155 432874468 /nfs/dbraw/zinc/87/44/68/432874468.db2.gz UBKJPOROIIPUIN-BBRMVZONSA-N 1 0 307.413 3.328 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(C)=O)cc2)[C@@H](C)C1 ZINC000246030389 432874536 /nfs/dbraw/zinc/87/45/36/432874536.db2.gz NMGCEBGXTSLCLP-GUYCJALGSA-N 1 0 317.433 3.083 10 0 DGAERO C[C@@H]1CC[C@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)O1 ZINC000246054282 432875421 /nfs/dbraw/zinc/87/54/21/432875421.db2.gz QJUWRHSFRNQOOH-IIDMSEBBSA-N 1 0 316.445 3.425 10 0 DGAERO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245525833 432840333 /nfs/dbraw/zinc/84/03/33/432840333.db2.gz AHGOCDXXLSVWLI-UKRRQHHQSA-N 1 0 309.369 3.437 10 0 DGAERO CC(=O)c1ccc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000245539235 432842029 /nfs/dbraw/zinc/84/20/29/432842029.db2.gz ZYXHVKSFQFNFKX-NVXWUHKLSA-N 1 0 315.461 3.375 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCc3cccc(C)c3)[C@@H]2C1 ZINC000245552780 432843271 /nfs/dbraw/zinc/84/32/71/432843271.db2.gz QSAFRUPXEJVFNM-GUDVDZBRSA-N 1 0 303.446 3.196 10 0 DGAERO O[C@H](c1ccc(F)cc1)C1CCN(CCC[NH+]2CCCC2)CC1 ZINC000163112508 432844157 /nfs/dbraw/zinc/84/41/57/432844157.db2.gz UEFCPNUICKLXLO-LJQANCHMSA-N 1 0 320.452 3.057 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000245561355 432845191 /nfs/dbraw/zinc/84/51/91/432845191.db2.gz KHISVYYJICAZPX-ARFHVFGLSA-N 1 0 311.466 3.103 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245568048 432845903 /nfs/dbraw/zinc/84/59/03/432845903.db2.gz YASDNJFXFPEJIM-IJEWVQPXSA-N 1 0 322.880 3.460 10 0 DGAERO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)s1 ZINC000245589345 432847185 /nfs/dbraw/zinc/84/71/85/432847185.db2.gz GAVWDECFGIRHFG-YXAMBPQSSA-N 1 0 324.490 3.105 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245590053 432847756 /nfs/dbraw/zinc/84/77/56/432847756.db2.gz AXQRNBMLXYIHKN-MPGHIAIKSA-N 1 0 317.477 3.434 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)[C@H]1CCCO1 ZINC000245638162 432851245 /nfs/dbraw/zinc/85/12/45/432851245.db2.gz GZOMNODYBHOXPC-HRDYMLBCSA-N 1 0 305.241 3.124 10 0 DGAERO Cc1cncc(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000163425041 432851927 /nfs/dbraw/zinc/85/19/27/432851927.db2.gz NJVMSGFGRJBLQZ-HXUWFJFHSA-N 1 0 323.440 3.175 10 0 DGAERO CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000245627440 432852142 /nfs/dbraw/zinc/85/21/42/432852142.db2.gz YXJNONUFOFXKHA-BQFCYCMXSA-N 1 0 319.468 3.114 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(C2CCCC2)s1 ZINC000245730854 432858862 /nfs/dbraw/zinc/85/88/62/432858862.db2.gz JTOFVGAIFZBXJJ-ZFWWWQNUSA-N 1 0 305.491 3.469 10 0 DGAERO C[C@@H]1C(=O)CC[C@H](c2nc(-c3ccn4c[nH+]cc4c3)no2)C1(C)C ZINC000289107323 432923286 /nfs/dbraw/zinc/92/32/86/432923286.db2.gz LOKUWTLAFVJFGV-BXUZGUMPSA-N 1 0 324.384 3.493 10 0 DGAERO Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H]1CCCCC1(C)C)CCC2 ZINC000332687383 433013066 /nfs/dbraw/zinc/01/30/66/433013066.db2.gz OSDPIAKBTLUHOO-HUUCEWRRSA-N 1 0 318.465 3.337 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000341294095 433020105 /nfs/dbraw/zinc/02/01/05/433020105.db2.gz RIZWARVSQUPVOZ-OKILXGFUSA-N 1 0 317.433 3.274 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CCCC4)C[C@@H]21 ZINC000333280923 433045582 /nfs/dbraw/zinc/04/55/82/433045582.db2.gz HORRPXLOVJQJMF-BPQIPLTHSA-N 1 0 313.445 3.157 10 0 DGAERO O=C(Nc1nc(C2CC2)cs1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333184674 433038073 /nfs/dbraw/zinc/03/80/73/433038073.db2.gz SRDYDOFXLOJHER-UHFFFAOYSA-N 1 0 320.462 3.018 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000333203089 433038967 /nfs/dbraw/zinc/03/89/67/433038967.db2.gz YMJWAJPMUIPPHD-AAEUAGOBSA-N 1 0 322.478 3.310 10 0 DGAERO O=C(Nc1ccc2cnccc2c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333267078 433046169 /nfs/dbraw/zinc/04/61/69/433046169.db2.gz FPFZTSPLKXUZHB-SFHVURJKSA-N 1 0 324.428 3.231 10 0 DGAERO C[C@@H](NC(=O)Nc1ccc2c(c1)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000333346741 433049726 /nfs/dbraw/zinc/04/97/26/433049726.db2.gz QRPNWSCZEUTSQH-CZUORRHYSA-N 1 0 301.434 3.075 10 0 DGAERO Cc1coc2ccc(NC(=O)N(C)[C@@H]3CCC[NH2+]CC3)cc12 ZINC000333354622 433050552 /nfs/dbraw/zinc/05/05/52/433050552.db2.gz RVYMEEQUGPKPHX-CQSZACIVSA-N 1 0 301.390 3.347 10 0 DGAERO Cc1cc2cc[nH]c2cc1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333382413 433052268 /nfs/dbraw/zinc/05/22/68/433052268.db2.gz WJGDNJBCGUNZLT-UHFFFAOYSA-N 1 0 312.417 3.084 10 0 DGAERO CC[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc2c(c1)OCCO2 ZINC000453306861 433076060 /nfs/dbraw/zinc/07/60/60/433076060.db2.gz JRWJIJLEQNKYQR-HNNXBMFYSA-N 1 0 323.408 3.265 10 0 DGAERO COc1cc(OC)c(C[C@@H](C)[NH2+][C@H]2CCC2(C)C)c(OC)c1 ZINC000453305565 433078051 /nfs/dbraw/zinc/07/80/51/433078051.db2.gz IZSIYZDZOHCVLO-PXAZEXFGSA-N 1 0 307.434 3.422 10 0 DGAERO COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1(CF)CCOCC1 ZINC000453317262 433086927 /nfs/dbraw/zinc/08/69/27/433086927.db2.gz XZIMIRRSBXGERN-CQSZACIVSA-N 1 0 311.372 3.178 10 0 DGAERO C[C@@H]1CC(C[NH2+]Cc2ccc(Br)o2)C[C@@H](C)O1 ZINC000341491741 433090974 /nfs/dbraw/zinc/09/09/74/433090974.db2.gz UWZYQPUEUZSFRO-NXEZZACHSA-N 1 0 302.212 3.335 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCCC23CCC3)C1 ZINC000373111569 433094633 /nfs/dbraw/zinc/09/46/33/433094633.db2.gz LTGPRTUGQBLAMV-CALCHBBNSA-N 1 0 321.509 3.473 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000341561643 433135188 /nfs/dbraw/zinc/13/51/88/433135188.db2.gz JBIROWARCBJKDB-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO c1ccc([C@@H]2C[C@@H]2C[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000361377984 433143213 /nfs/dbraw/zinc/14/32/13/433143213.db2.gz JWBOSNWSLHPJPU-AEFFLSMTSA-N 1 0 309.413 3.124 10 0 DGAERO CN1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)[C@H]1c1cccs1 ZINC000373301652 433145750 /nfs/dbraw/zinc/14/57/50/433145750.db2.gz UYCBYXAKRNDBRR-LZWOXQAQSA-N 1 0 310.532 3.474 10 0 DGAERO CC[C@H]([NH2+][C@@H](CC)c1cccc(Br)c1)C(=O)NC ZINC000453415824 433172347 /nfs/dbraw/zinc/17/23/47/433172347.db2.gz UCOWEBRUSCGEEX-STQMWFEESA-N 1 0 313.239 3.014 10 0 DGAERO C[N@H+](C[C@@H](O)COCc1ccccc1)C1CCC(C)(C)CC1 ZINC000336685897 433179757 /nfs/dbraw/zinc/17/97/57/433179757.db2.gz SRVITZFSIUYTIT-GOSISDBHSA-N 1 0 305.462 3.465 10 0 DGAERO FCCCC[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000336678869 433179856 /nfs/dbraw/zinc/17/98/56/433179856.db2.gz DEGLTDJOYCUBKL-UHFFFAOYSA-N 1 0 304.159 3.017 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)cn2)nc1 ZINC000425427093 433238791 /nfs/dbraw/zinc/23/87/91/433238791.db2.gz UEDBJNWLKOFMMJ-LPHOPBHVSA-N 1 0 309.413 3.145 10 0 DGAERO c1cc(CN2CCOC[C@H]2CC2CCC2)c2c(c1)OCCCO2 ZINC000354733392 433244173 /nfs/dbraw/zinc/24/41/73/433244173.db2.gz PULQWGFVXMWRPN-QGZVFWFLSA-N 1 0 317.429 3.239 10 0 DGAERO CCC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccn1 ZINC000447607550 433245307 /nfs/dbraw/zinc/24/53/07/433245307.db2.gz SREOZTJOJVIOHV-NSHDSACASA-N 1 0 308.319 3.429 10 0 DGAERO c1cc(CN2CCOCC2)ccc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337993537 433271796 /nfs/dbraw/zinc/27/17/96/433271796.db2.gz JHROZSTXAHXZIA-UXHICEINSA-N 1 0 314.473 3.187 10 0 DGAERO COc1cc(C[NH2+]CC[C@H]2COc3ccccc3O2)ccc1C ZINC000447810688 433290204 /nfs/dbraw/zinc/29/02/04/433290204.db2.gz ADVDYJVPUSTLQH-INIZCTEOSA-N 1 0 313.397 3.323 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(-c4csc(C5CC5)n4)n3)cc12 ZINC000351052980 433357778 /nfs/dbraw/zinc/35/77/78/433357778.db2.gz WEHLYISDQFBHKC-UHFFFAOYSA-N 1 0 309.354 3.385 10 0 DGAERO COc1ccc([C@@H]([NH2+]C2CC3(CCC3)C2)c2nccn2C)cc1 ZINC000448076891 433360479 /nfs/dbraw/zinc/36/04/79/433360479.db2.gz JZHNPNLEAACYJY-QGZVFWFLSA-N 1 0 311.429 3.440 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000291911275 433390976 /nfs/dbraw/zinc/39/09/76/433390976.db2.gz KBQNOBSXZCEHSO-ICSRJNTNSA-N 1 0 318.424 3.047 10 0 DGAERO c1cn2cc(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)nc2s1 ZINC000361886993 433438598 /nfs/dbraw/zinc/43/85/98/433438598.db2.gz BNRBJQJIIUWTQT-MGPQQGTHSA-N 1 0 305.447 3.081 10 0 DGAERO CCOc1ccccc1[C@@H](C)[NH2+]CCc1cccc(OC)n1 ZINC000361928258 433452206 /nfs/dbraw/zinc/45/22/06/433452206.db2.gz VWOKPIGKBVUJNI-CQSZACIVSA-N 1 0 300.402 3.382 10 0 DGAERO CCOc1ccccc1[C@H](C)[NH2+]CCc1cccc(OC)n1 ZINC000361928257 433453524 /nfs/dbraw/zinc/45/35/24/433453524.db2.gz VWOKPIGKBVUJNI-AWEZNQCLSA-N 1 0 300.402 3.382 10 0 DGAERO CC(C)=CCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000159078885 292783889 /nfs/dbraw/zinc/78/38/89/292783889.db2.gz OHHFUCRIOLADMZ-WMZOPIPTSA-N 1 0 302.462 3.410 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]Cc3cccc(C4CC4)c3)cc2)n1 ZINC000421319892 433470989 /nfs/dbraw/zinc/47/09/89/433470989.db2.gz BFBKENIQUSLZOF-UHFFFAOYSA-N 1 0 304.397 3.435 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000095089054 290243773 /nfs/dbraw/zinc/24/37/73/290243773.db2.gz HHFBCIXWGMQFIQ-KGLIPLIRSA-N 1 0 307.438 3.407 10 0 DGAERO c1cnc(N2CCC[C@@H]([NH2+]C3CC4(C3)CCCCC4)C2)nc1 ZINC000421323241 433476651 /nfs/dbraw/zinc/47/66/51/433476651.db2.gz FWTSKSRJSNJVFL-OAHLLOKOSA-N 1 0 300.450 3.148 10 0 DGAERO C[C@H]1CC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)C1 ZINC000246895984 290347447 /nfs/dbraw/zinc/34/74/47/290347447.db2.gz HFBLATSGVQRDIU-HYCWQLOCSA-N 1 0 307.482 3.126 10 0 DGAERO c1cn(-c2ccccc2)c(C[NH2+]C[C@H]2CC23CCSCC3)n1 ZINC000421372845 433519659 /nfs/dbraw/zinc/51/96/59/433519659.db2.gz GCKBFUCLJDOUCI-OAHLLOKOSA-N 1 0 313.470 3.495 10 0 DGAERO CCC[N@@H+]1CCCN(c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000301410057 433541363 /nfs/dbraw/zinc/54/13/63/433541363.db2.gz XMSWCNKZTUOHCD-UHFFFAOYSA-N 1 0 320.824 3.312 10 0 DGAERO Cc1c(NC(=O)NC(C)(C)C[NH+]2CCCC2)cccc1N(C)C ZINC000455076684 433531419 /nfs/dbraw/zinc/53/14/19/433531419.db2.gz RUOHGWKLNXMOGJ-UHFFFAOYSA-N 1 0 318.465 3.057 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CC23CCSCC3)n(-c2ccccc2)n1 ZINC000421393650 433539755 /nfs/dbraw/zinc/53/97/55/433539755.db2.gz YVSQOLTTXGVVIG-OAHLLOKOSA-N 1 0 313.470 3.495 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000355139803 433490504 /nfs/dbraw/zinc/49/05/04/433490504.db2.gz UMMLJERLUKZPIM-HOCLYGCPSA-N 1 0 315.442 3.206 10 0 DGAERO CCCN(CC[NH2+][C@@H]1CCCc2n[nH]cc21)C(=O)OC(C)(C)C ZINC000375849499 433591545 /nfs/dbraw/zinc/59/15/45/433591545.db2.gz HDCDMQILTLMSCK-CQSZACIVSA-N 1 0 322.453 3.024 10 0 DGAERO CCC[NH+]1CCC(CNc2c(F)c(F)nc(F)c2F)CC1 ZINC000301599468 433630290 /nfs/dbraw/zinc/63/02/90/433630290.db2.gz HWMVPIPHCUSIDP-UHFFFAOYSA-N 1 0 305.319 3.172 10 0 DGAERO C[C@H]1CC(C[NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@H](C)O1 ZINC000282406255 433598672 /nfs/dbraw/zinc/59/86/72/433598672.db2.gz YUQDBFUQCQNVOB-HOTGVXAUSA-N 1 0 313.445 3.225 10 0 DGAERO CSCC[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000362244915 433598734 /nfs/dbraw/zinc/59/87/34/433598734.db2.gz GOQZMTJGMAAGKX-UHFFFAOYSA-N 1 0 309.475 3.300 10 0 DGAERO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)Nc1ncccn1 ZINC000301547003 433606825 /nfs/dbraw/zinc/60/68/25/433606825.db2.gz FGXFVJMLRXXGOH-QGZVFWFLSA-N 1 0 310.445 3.362 10 0 DGAERO Cc1cccc2c(N3CC[C@H](Cc4cnn(C)c4)C3)cc[nH+]c12 ZINC000301644323 433652743 /nfs/dbraw/zinc/65/27/43/433652743.db2.gz CIIUVMFDOYDBIV-OAHLLOKOSA-N 1 0 306.413 3.346 10 0 DGAERO O=C(c1cc(O)c2ccccc2c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000366334245 292936321 /nfs/dbraw/zinc/93/63/21/292936321.db2.gz ZWMBDEGPNWEWTJ-KRWDZBQOSA-N 1 0 324.424 3.246 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]CCc1cc(C)no1)CCCO2 ZINC000376075791 433659740 /nfs/dbraw/zinc/65/97/40/433659740.db2.gz ZBMYSKBBJXEYKU-MRXNPFEDSA-N 1 0 302.374 3.038 10 0 DGAERO Cc1nocc1C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000293232832 433665804 /nfs/dbraw/zinc/66/58/04/433665804.db2.gz KTYSDVOJKRUTRO-SJORKVTESA-N 1 0 300.402 3.457 10 0 DGAERO Cc1nocc1C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000293232796 433668394 /nfs/dbraw/zinc/66/83/94/433668394.db2.gz KTYSDVOJKRUTRO-DLBZAZTESA-N 1 0 300.402 3.457 10 0 DGAERO C[C@@H](C[N@@H+]1C[C@H](C)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449026452 433679032 /nfs/dbraw/zinc/67/90/32/433679032.db2.gz GCFJKHVVCACXCK-KGLIPLIRSA-N 1 0 309.475 3.314 10 0 DGAERO C[C@H](C[N@@H+]1C[C@@H](C)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449026453 433681736 /nfs/dbraw/zinc/68/17/36/433681736.db2.gz GCFJKHVVCACXCK-UONOGXRCSA-N 1 0 309.475 3.314 10 0 DGAERO c1cn(-c2csc(C[NH2+]C[C@@H]3COc4ccccc43)c2)cn1 ZINC000342424472 433683164 /nfs/dbraw/zinc/68/31/64/433683164.db2.gz WEGVGNIFBXSJLQ-CYBMUJFWSA-N 1 0 311.410 3.200 10 0 DGAERO c1ccc(COc2ccnc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000367013384 293013363 /nfs/dbraw/zinc/01/33/63/293013363.db2.gz NEJMJLAPGKBONH-IRXDYDNUSA-N 1 0 324.428 3.094 10 0 DGAERO c1[nH]c2ccccc2c1C[C@H]1COCC[N@H+]1C[C@H]1CCSC1 ZINC000367031243 293014766 /nfs/dbraw/zinc/01/47/66/293014766.db2.gz TWZAIVSCNRZDRB-ZBFHGGJFSA-N 1 0 316.470 3.164 10 0 DGAERO Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000367025557 293014842 /nfs/dbraw/zinc/01/48/42/293014842.db2.gz BKKMSGZEROELML-CQSZACIVSA-N 1 0 315.421 3.022 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@@H](Sc3nnc(C4CC4)[nH]3)C2)cc1 ZINC000283213288 433695241 /nfs/dbraw/zinc/69/52/41/433695241.db2.gz ZILSZCLCQKKIMW-CQSZACIVSA-N 1 0 300.431 3.049 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(F)cc1Br ZINC000367682441 293089643 /nfs/dbraw/zinc/08/96/43/293089643.db2.gz BBEFWMLDRKISPR-ZBPZKIAKSA-N 1 0 314.198 3.131 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@H]3[C@@H]4c5ccccc5C[C@H]34)o2)n[nH]1 ZINC000368452357 293123967 /nfs/dbraw/zinc/12/39/67/293123967.db2.gz APHQYZVSVCJMDG-GPMSIDNRSA-N 1 0 305.381 3.345 10 0 DGAERO Brc1cscc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370204430 293162980 /nfs/dbraw/zinc/16/29/80/293162980.db2.gz PZVOMOUQVQZNRA-NWDGAFQWSA-N 1 0 315.280 3.227 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCCC[C@H]2[C@@H](C)[NH3+])s1 ZINC000262244648 293204028 /nfs/dbraw/zinc/20/40/28/293204028.db2.gz WLASILAHWOADCI-SCZZXKLOSA-N 1 0 307.385 3.172 10 0 DGAERO Cc1nocc1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000293351411 433708540 /nfs/dbraw/zinc/70/85/40/433708540.db2.gz TVZXISYAEZOXAB-UHFFFAOYSA-N 1 0 300.402 3.460 10 0 DGAERO COc1cc(C)cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000373292534 293257657 /nfs/dbraw/zinc/25/76/57/293257657.db2.gz PMCRKLNEIKEEKV-GJZGRUSLSA-N 1 0 317.433 3.060 10 0 DGAERO c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000373708066 293308242 /nfs/dbraw/zinc/30/82/42/293308242.db2.gz NGAAAKMWJBAJCH-RCCFBDPRSA-N 1 0 315.461 3.081 10 0 DGAERO COc1c(C)cnc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1C ZINC000362441715 433713072 /nfs/dbraw/zinc/71/30/72/433713072.db2.gz TYNFKIDYQXJMDT-CRAIPNDOSA-N 1 0 306.450 3.342 10 0 DGAERO c1csc(-c2cc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)no2)c1 ZINC000362456059 433729030 /nfs/dbraw/zinc/72/90/30/433729030.db2.gz UOGPCDAXESEBGF-JSGCOSHPSA-N 1 0 304.415 3.404 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(c2ccsc2)CC1 ZINC000362526102 433736225 /nfs/dbraw/zinc/73/62/25/433736225.db2.gz PTRDXRQHWTWWCB-MRXNPFEDSA-N 1 0 306.475 3.329 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCN1CCCO ZINC000449384223 433740045 /nfs/dbraw/zinc/74/00/45/433740045.db2.gz AKBWEQQDPFVTMC-NZHZHZHDSA-N 1 0 322.880 3.180 10 0 DGAERO C[NH+]1CCC(CC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC000362583246 433768560 /nfs/dbraw/zinc/76/85/60/433768560.db2.gz HUNMKUWOFHAIPC-GOSISDBHSA-N 1 0 318.436 3.091 10 0 DGAERO C[C@@H]([NH2+]C1CCC(O)(c2cccc(F)c2)CC1)c1nccn1C ZINC000375239988 293502033 /nfs/dbraw/zinc/50/20/33/293502033.db2.gz VYWZNRLPEVFSEZ-IMUUDWKMSA-N 1 0 317.408 3.040 10 0 DGAERO C1CC2(C1)[C@H]([NH2+][C@H]1CCC[C@H]([C@H]3CCOC3)C1)[C@@H]1CCO[C@@H]12 ZINC000343455683 433806650 /nfs/dbraw/zinc/80/66/50/433806650.db2.gz MGSMDZOGUFPRDV-FRMKIJSPSA-N 1 0 305.462 3.129 10 0 DGAERO CC[NH+](CC)CCCCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000357194479 433903056 /nfs/dbraw/zinc/90/30/56/433903056.db2.gz ZVRRBQBDPDEWRV-ZBFHGGJFSA-N 1 0 324.415 3.307 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H](C(C)C)C2)CC1 ZINC000436218980 433906259 /nfs/dbraw/zinc/90/62/59/433906259.db2.gz JVHPICKZHAAQQP-QGZVFWFLSA-N 1 0 309.498 3.186 10 0 DGAERO c1nnn(-c2ccccc2)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC000377567256 433917588 /nfs/dbraw/zinc/91/75/88/433917588.db2.gz WRXHGXPFUMUAQO-UHFFFAOYSA-N 1 0 319.412 3.042 10 0 DGAERO c1sc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1[C@H]1Cc2ccccc21 ZINC000357252038 433926320 /nfs/dbraw/zinc/92/63/20/433926320.db2.gz FRTWECIDODTNRT-KMFMINBZSA-N 1 0 312.438 3.367 10 0 DGAERO CC(=O)c1cc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1F ZINC000352120055 433926498 /nfs/dbraw/zinc/92/64/98/433926498.db2.gz HKLNBDFNJDRZTJ-GFCCVEGCSA-N 1 0 321.396 3.024 10 0 DGAERO CN(C)[C@]1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCSC1 ZINC000436288667 433927711 /nfs/dbraw/zinc/92/77/11/433927711.db2.gz GKCRZGCRCOSNOF-KURKYZTESA-N 1 0 304.503 3.350 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC000449953157 433890653 /nfs/dbraw/zinc/89/06/53/433890653.db2.gz XYYXCZHTEYWORZ-AWEZNQCLSA-N 1 0 302.409 3.050 10 0 DGAERO O[C@@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)C(F)F ZINC000436303050 433935012 /nfs/dbraw/zinc/93/50/12/433935012.db2.gz BIENEPNRHQTRNH-CVEARBPZSA-N 1 0 309.331 3.325 10 0 DGAERO CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000457059038 433959945 /nfs/dbraw/zinc/95/99/45/433959945.db2.gz WKOAPXVVFFHYKA-UKRRQHHQSA-N 1 0 322.399 3.059 10 0 DGAERO c1ccc2sc(N3CCC([NH2+]C4CCOCC4)CC3)nc2c1 ZINC000363264946 434009026 /nfs/dbraw/zinc/00/90/26/434009026.db2.gz VFHSQJSQNOOPMA-UHFFFAOYSA-N 1 0 317.458 3.034 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000304545003 434013160 /nfs/dbraw/zinc/01/31/60/434013160.db2.gz DUQFFSCIUFTPFA-ZJUUUORDSA-N 1 0 304.253 3.151 10 0 DGAERO CCC(CC)(CC)C[NH2+]Cc1c(Br)cnn1C ZINC000391236777 293826895 /nfs/dbraw/zinc/82/68/95/293826895.db2.gz WRIPKDJZNHBJEI-UHFFFAOYSA-N 1 0 302.260 3.489 10 0 DGAERO C[C@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400501086 293864798 /nfs/dbraw/zinc/86/47/98/293864798.db2.gz IOZALHGZVNYHTF-UONOGXRCSA-N 1 0 308.466 3.412 10 0 DGAERO CSC(C)(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739451 293865593 /nfs/dbraw/zinc/86/55/93/293865593.db2.gz SJGSAOMPOZGWAD-OLZOCXBDSA-N 1 0 316.511 3.363 10 0 DGAERO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(Cc2ccccc2)CC1 ZINC000378053272 434064986 /nfs/dbraw/zinc/06/49/86/434064986.db2.gz WDYOZPRSYYYQMV-ROUUACIJSA-N 1 0 312.457 3.095 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1I ZINC000306758972 434083152 /nfs/dbraw/zinc/08/31/52/434083152.db2.gz OYENEBZLCLUHOA-HOTUBEGUSA-N 1 0 301.171 3.350 10 0 DGAERO CC[N@H+](CC[C@H](C)O)Cc1cc(Br)ccc1F ZINC000450300722 434089796 /nfs/dbraw/zinc/08/97/96/434089796.db2.gz HLCGGLDUHWLTHB-JTQLQIEISA-N 1 0 304.203 3.181 10 0 DGAERO C[C@@H](O)CC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000450296584 434089990 /nfs/dbraw/zinc/08/99/90/434089990.db2.gz FJVSSJOZSHPHIR-SNVBAGLBSA-N 1 0 316.214 3.324 10 0 DGAERO CN(C)CC(C)(C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000308612722 434090362 /nfs/dbraw/zinc/09/03/62/434090362.db2.gz FZBIQSVPOBXJPQ-UHFFFAOYSA-N 1 0 303.219 3.018 10 0 DGAERO COc1ccc(C[NH2+]CCOC(C)(C)C)c(Cl)c1OC ZINC000308722087 434091477 /nfs/dbraw/zinc/09/14/77/434091477.db2.gz DSMMYELHLMMQKG-UHFFFAOYSA-N 1 0 301.814 3.262 10 0 DGAERO CC(C)[C@@H](C)C[NH2+]Cc1ncc(I)s1 ZINC000308542625 434093139 /nfs/dbraw/zinc/09/31/39/434093139.db2.gz OKZKXVVUEAIZQV-QMMMGPOBSA-N 1 0 324.231 3.129 10 0 DGAERO CC[NH+](CC)CC1CCN(c2nc(C(C)=O)c(C)s2)CC1 ZINC000450253115 434056795 /nfs/dbraw/zinc/05/67/95/434056795.db2.gz MPKVZURALXXVJJ-UHFFFAOYSA-N 1 0 309.479 3.212 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459546516 293982129 /nfs/dbraw/zinc/98/21/29/293982129.db2.gz RBELPNUWTRPXHW-SJORKVTESA-N 1 0 305.462 3.277 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1Br ZINC000310611363 434111922 /nfs/dbraw/zinc/11/19/22/434111922.db2.gz AYBHVJNXKZRRHC-KBPBESRZSA-N 1 0 312.251 3.398 10 0 DGAERO c1c(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)nnn1CC1CC1 ZINC000450347550 434120619 /nfs/dbraw/zinc/12/06/19/434120619.db2.gz PRSLZZXKMOPMRB-SFHVURJKSA-N 1 0 310.445 3.458 10 0 DGAERO CC(=O)[C@](C)(O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000450321101 434101892 /nfs/dbraw/zinc/10/18/92/434101892.db2.gz YPRPOFHTGUSUJY-HXUWFJFHSA-N 1 0 309.409 3.269 10 0 DGAERO Cc1sc2nc(C)nc(N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2c1C ZINC000262578512 294080833 /nfs/dbraw/zinc/08/08/33/294080833.db2.gz YOWXGPJFNFDBEX-BFHYXJOUSA-N 1 0 316.474 3.180 10 0 DGAERO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000457368180 434128388 /nfs/dbraw/zinc/12/83/88/434128388.db2.gz GBOPIAOGXFYYEE-GOEBONIOSA-N 1 0 316.351 3.474 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC2(C)C)C1 ZINC000506928298 294278510 /nfs/dbraw/zinc/27/85/10/294278510.db2.gz BALAFTVGAJEIJJ-OWCLPIDISA-N 1 0 307.482 3.081 10 0 DGAERO COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[C@H]3C3CCC3)C2)c1 ZINC000510660449 294389042 /nfs/dbraw/zinc/38/90/42/294389042.db2.gz YSACQPOMWRZQEF-SNRMKQJTSA-N 1 0 300.446 3.442 10 0 DGAERO COc1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)c(OC)c1OC ZINC000510737166 294391461 /nfs/dbraw/zinc/39/14/61/294391461.db2.gz SIIAIEWMFXSGOB-CVEARBPZSA-N 1 0 319.445 3.423 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4ccccc4OC3)C2)cc1 ZINC000511053131 294400544 /nfs/dbraw/zinc/40/05/44/294400544.db2.gz WTFFSWMKHZVQQP-WOJBJXKFSA-N 1 0 322.452 3.244 10 0 DGAERO CCCc1ccc2[nH+]ccc(N3CCN(C(C)=O)C[C@@H]3C)c2c1 ZINC000450391733 434150968 /nfs/dbraw/zinc/15/09/68/434150968.db2.gz RBEAKBDXHIEGBF-AWEZNQCLSA-N 1 0 311.429 3.244 10 0 DGAERO c1nnc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000450409683 434158546 /nfs/dbraw/zinc/15/85/46/434158546.db2.gz LDCCGNREEBKKQR-UHFFFAOYSA-N 1 0 314.458 3.031 10 0 DGAERO c1csc(-c2cc(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084182 434158877 /nfs/dbraw/zinc/15/88/77/434158877.db2.gz KVRYVZJCRBGTGE-UKRRQHHQSA-N 1 0 317.458 3.367 10 0 DGAERO CC/C=C/C[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000295053436 434169411 /nfs/dbraw/zinc/16/94/11/434169411.db2.gz NPBRKEOLWYAJCB-SNAWJCMRSA-N 1 0 300.196 3.219 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)c2)cn1 ZINC000346186545 434185698 /nfs/dbraw/zinc/18/56/98/434185698.db2.gz ZCFVDDPMYSVTIB-GJZGRUSLSA-N 1 0 317.458 3.182 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000513544024 294476683 /nfs/dbraw/zinc/47/66/83/294476683.db2.gz CBAWRHBZPIRGQD-JQVXPOPVSA-N 1 0 304.821 3.096 10 0 DGAERO C[C@H]1CCOCCN1Cc1ccc(Br)cc1F ZINC000378490173 434202742 /nfs/dbraw/zinc/20/27/42/434202742.db2.gz IHXUCFMIXOQKHO-JTQLQIEISA-N 1 0 302.187 3.199 10 0 DGAERO C[C@H]1CCOCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000378512116 434209511 /nfs/dbraw/zinc/20/95/11/434209511.db2.gz YYIWFQQIIDEZNV-LBPRGKRZSA-N 1 0 321.808 3.043 10 0 DGAERO CN(C)C1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCC1 ZINC000437106948 434213875 /nfs/dbraw/zinc/21/38/75/434213875.db2.gz JIFBLNGOYXVMGN-FUHWJXTLSA-N 1 0 302.462 3.228 10 0 DGAERO CCC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000378545470 434219413 /nfs/dbraw/zinc/21/94/13/434219413.db2.gz DYZSZXDZRBJRMO-AWEZNQCLSA-N 1 0 304.438 3.128 10 0 DGAERO Cn1ccc([C@H]([NH2+][C@H]2CC[C@H](O)CC2)c2ccc(Cl)cc2)n1 ZINC000514972193 294529589 /nfs/dbraw/zinc/52/95/89/294529589.db2.gz IVNZTXWIALLWJX-BFYDXBDKSA-N 1 0 319.836 3.056 10 0 DGAERO CC[NH+]1CCC(CNC(=O)NC[C@@H](C)c2ccc(C)cc2)CC1 ZINC000515333532 294551975 /nfs/dbraw/zinc/55/19/75/294551975.db2.gz UKTIUUOIOAYMKT-MRXNPFEDSA-N 1 0 317.477 3.130 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379647907 434257959 /nfs/dbraw/zinc/25/79/59/434257959.db2.gz LHLKWDVJFOUHBG-AEFFLSMTSA-N 1 0 304.478 3.444 10 0 DGAERO c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CCCC13CCOCC3)CS2 ZINC000515383259 294556616 /nfs/dbraw/zinc/55/66/16/294556616.db2.gz ZMGLOYJVJFZQJP-RHSMWYFYSA-N 1 0 319.470 3.479 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)CCN1Cc1ccccc1 ZINC000379650406 434260236 /nfs/dbraw/zinc/26/02/36/434260236.db2.gz RRGYABXBJLXTDW-FUHWJXTLSA-N 1 0 304.478 3.444 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379647908 434261419 /nfs/dbraw/zinc/26/14/19/434261419.db2.gz LHLKWDVJFOUHBG-FUHWJXTLSA-N 1 0 304.478 3.444 10 0 DGAERO Brc1ccc([C@@H](N[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423182732 434266533 /nfs/dbraw/zinc/26/65/33/434266533.db2.gz GYVAVTJHQDNNLV-GJZGRUSLSA-N 1 0 309.251 3.242 10 0 DGAERO Brc1ccc([C@H](N[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423182733 434267103 /nfs/dbraw/zinc/26/71/03/434267103.db2.gz GYVAVTJHQDNNLV-HUUCEWRRSA-N 1 0 309.251 3.242 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000381738896 434268999 /nfs/dbraw/zinc/26/89/99/434268999.db2.gz OQGOZECIMFTYJH-GPCCPHFNSA-N 1 0 304.217 3.121 10 0 DGAERO c1cncc(CNCCC[NH2+][C@H](c2cccnc2)C2CCC2)c1 ZINC000423187142 434269658 /nfs/dbraw/zinc/26/96/58/434269658.db2.gz LYCNGBFMTYXFOR-IBGZPJMESA-N 1 0 310.445 3.087 10 0 DGAERO C[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCO1 ZINC000457537262 434226106 /nfs/dbraw/zinc/22/61/06/434226106.db2.gz WEIONQZHZUJTSK-MJGOQNOKSA-N 1 0 322.493 3.060 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000382649993 434279039 /nfs/dbraw/zinc/27/90/39/434279039.db2.gz XJDZWKVGUBHWFV-MISYRCLQSA-N 1 0 316.489 3.134 10 0 DGAERO Cc1ncc([C@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)c(C)n1 ZINC000358007812 434284043 /nfs/dbraw/zinc/28/40/43/434284043.db2.gz RWAAHKQACRPBOD-AWEZNQCLSA-N 1 0 321.428 3.189 10 0 DGAERO CCN1CC[C@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000328385993 434285072 /nfs/dbraw/zinc/28/50/72/434285072.db2.gz WQGMMMWMLJLMDP-DOMZBBRYSA-N 1 0 311.267 3.064 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@H](C)c1sccc1Br ZINC000384014444 434291528 /nfs/dbraw/zinc/29/15/28/434291528.db2.gz OWJBCGPEEHGFBV-ZJUUUORDSA-N 1 0 322.268 3.213 10 0 DGAERO CC/C=C/C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000384945904 434294542 /nfs/dbraw/zinc/29/45/42/434294542.db2.gz UTAIOIXPPLWPBQ-PGLGOXFNSA-N 1 0 304.217 3.289 10 0 DGAERO Cn1ncc(Br)c1C[NH2+]CC(C)(C)C1CCC1 ZINC000384923584 434295031 /nfs/dbraw/zinc/29/50/31/434295031.db2.gz FXEFVGDZKRSOJL-UHFFFAOYSA-N 1 0 300.244 3.099 10 0 DGAERO C([N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)C12CCC(CC1)C2 ZINC000450636283 434307446 /nfs/dbraw/zinc/30/74/46/434307446.db2.gz DHOMKLIWXNCUCA-DBQDNQAGSA-N 1 0 300.450 3.442 10 0 DGAERO FC(F)(F)CN1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000127157755 294665183 /nfs/dbraw/zinc/66/51/83/294665183.db2.gz YUHIBANNPMEJPJ-AWEZNQCLSA-N 1 0 320.399 3.095 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437711226 434323580 /nfs/dbraw/zinc/32/35/80/434323580.db2.gz XZLDYGGOYLPZLY-KOMQPUFPSA-N 1 0 323.868 3.225 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000450670102 434326535 /nfs/dbraw/zinc/32/65/35/434326535.db2.gz VRCLEDNQZOQLRX-LIRRHRJNSA-N 1 0 313.397 3.470 10 0 DGAERO C[C@@H]1CN([C@H]2CCc3c2cccc3Br)C[C@@]1(C)C[NH3+] ZINC000388297447 434329854 /nfs/dbraw/zinc/32/98/54/434329854.db2.gz ZHPAXPYRQBHXIU-XFBWCDHKSA-N 1 0 323.278 3.353 10 0 DGAERO COC[C@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000450676741 434332997 /nfs/dbraw/zinc/33/29/97/434332997.db2.gz FPBQUSNRMPRRTP-MDASCCDHSA-N 1 0 317.404 3.267 10 0 DGAERO CC1=CCN(CC[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000358173318 434366336 /nfs/dbraw/zinc/36/63/36/434366336.db2.gz WGHLCBQGTWIYNB-QUCCMNQESA-N 1 0 313.489 3.064 10 0 DGAERO CC[C@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)[C@@H]1CCOC1 ZINC000358177318 434370605 /nfs/dbraw/zinc/37/06/05/434370605.db2.gz PCSHXRZXIHXAPW-BMFZPTHFSA-N 1 0 307.434 3.040 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H]2c2ccsc2)CC1 ZINC000358192174 434380053 /nfs/dbraw/zinc/38/00/53/434380053.db2.gz PEYPBQCPIPOTDI-MRXNPFEDSA-N 1 0 319.474 3.247 10 0 DGAERO CCc1noc(C2CCC([NH2+]C3(CC)CCOCC3)CC2)n1 ZINC000329263995 434383074 /nfs/dbraw/zinc/38/30/74/434383074.db2.gz DQFYGUVPHBJGFO-UHFFFAOYSA-N 1 0 307.438 3.207 10 0 DGAERO Cn1cc(Br)c(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)n1 ZINC000393352038 434389004 /nfs/dbraw/zinc/38/90/04/434389004.db2.gz YIKGFELFFMGCHF-RYUDHWBXSA-N 1 0 312.255 3.241 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110500 434337038 /nfs/dbraw/zinc/33/70/38/434337038.db2.gz KHFLDOCTKIMXIS-JKSUJKDBSA-N 1 0 322.493 3.151 10 0 DGAERO COC[C@H](NC[C@H]1CCCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC000450683871 434340260 /nfs/dbraw/zinc/34/02/60/434340260.db2.gz QSXGOUZGYCYHNP-MSOLQXFVSA-N 1 0 308.441 3.366 10 0 DGAERO C[C@H](CNCc1ccsc1Br)C[NH+]1CCCC1 ZINC000388847684 434342013 /nfs/dbraw/zinc/34/20/13/434342013.db2.gz ZYLXEOCONYWWAC-LLVKDONJSA-N 1 0 317.296 3.332 10 0 DGAERO CCN1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000389541069 434347501 /nfs/dbraw/zinc/34/75/01/434347501.db2.gz KHZMWNKYBOQXSP-GFCCVEGCSA-N 1 0 304.768 3.125 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccncc1Cl ZINC000389867539 434353658 /nfs/dbraw/zinc/35/36/58/434353658.db2.gz MPVZQUKXIJGAEK-KBXCAEBGSA-N 1 0 315.848 3.345 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000389868532 434354246 /nfs/dbraw/zinc/35/42/46/434354246.db2.gz NKWJXMDXFGGNRA-UIFIKXQLSA-N 1 0 324.468 3.484 10 0 DGAERO CCOC1CC([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000397983955 434448971 /nfs/dbraw/zinc/44/89/71/434448971.db2.gz HZTHTIIWZXVJOV-CTWPCTMYSA-N 1 0 302.462 3.198 10 0 DGAERO CC(C)(O)C(C)(C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000393687028 434399971 /nfs/dbraw/zinc/39/99/71/434399971.db2.gz XUCULLFLKZWCPL-UHFFFAOYSA-N 1 0 318.230 3.475 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)cc2)cn1 ZINC000353753776 434403266 /nfs/dbraw/zinc/40/32/66/434403266.db2.gz PGEHZXDQNCMSGF-IBGZPJMESA-N 1 0 311.429 3.265 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000394904203 434406972 /nfs/dbraw/zinc/40/69/72/434406972.db2.gz HSASDESFDWAEEG-ZWNOBZJWSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H]1OCC[C@]1(C)[NH2+]Cc1c(F)cccc1Br ZINC000394740912 434407865 /nfs/dbraw/zinc/40/78/65/434407865.db2.gz IMXNUZSBEQERFY-RNCFNFMXSA-N 1 0 302.187 3.245 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N1CCC(n2cncc2C)CC1 ZINC000366409822 434412172 /nfs/dbraw/zinc/41/21/72/434412172.db2.gz BCIAYXSVCUHJDB-AWEZNQCLSA-N 1 0 319.449 3.141 10 0 DGAERO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000366496725 434434727 /nfs/dbraw/zinc/43/47/27/434434727.db2.gz YURCCJPESWAAOR-IBGZPJMESA-N 1 0 324.472 3.304 10 0 DGAERO Fc1cc(Br)ccc1C[NH2+]CC1=CCOCC1 ZINC000397738724 434442187 /nfs/dbraw/zinc/44/21/87/434442187.db2.gz IZFJGMWADVWXPB-UHFFFAOYSA-N 1 0 300.171 3.025 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCCC[C@H]1c1ccnn1C ZINC000450900218 434467979 /nfs/dbraw/zinc/46/79/79/434467979.db2.gz GCKJBTSYPQATEL-AEFFLSMTSA-N 1 0 304.482 3.210 10 0 DGAERO CCSCc1cccc(NC(=O)NC[C@@H]2CC[N@H+](CC)C2)c1 ZINC000438378573 434471546 /nfs/dbraw/zinc/47/15/46/434471546.db2.gz ZBZAMSWCUIKJSD-HNNXBMFYSA-N 1 0 321.490 3.403 10 0 DGAERO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360008800 434473385 /nfs/dbraw/zinc/47/33/85/434473385.db2.gz ZFBKWDMNIUJQBQ-CVEARBPZSA-N 1 0 305.466 3.223 10 0 DGAERO Cc1scc(C[NH2+]C[C@@H](O)COCc2cccs2)c1C ZINC000399817298 434483421 /nfs/dbraw/zinc/48/34/21/434483421.db2.gz MWVLZNCVMKNKSS-CQSZACIVSA-N 1 0 311.472 3.094 10 0 DGAERO CC[C@@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)C[C@H]1O ZINC000400071604 434484092 /nfs/dbraw/zinc/48/40/92/434484092.db2.gz HMDPKQFCXBIXHS-ZWNOBZJWSA-N 1 0 304.217 3.075 10 0 DGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403239609 434505351 /nfs/dbraw/zinc/50/53/51/434505351.db2.gz QWKNTBGQGPEKJP-IJLUTSLNSA-N 1 0 313.850 3.022 10 0 DGAERO CSCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400497564 434485685 /nfs/dbraw/zinc/48/56/85/434485685.db2.gz BHWJBZHDGFABMS-KGLIPLIRSA-N 1 0 316.511 3.365 10 0 DGAERO CC(C)[C@]1(C)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000458112843 434486974 /nfs/dbraw/zinc/48/69/74/434486974.db2.gz QPZOZKBBWVZMNW-MJGOQNOKSA-N 1 0 300.446 3.447 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCC[C@@H]1CCOC1 ZINC000400666692 434489327 /nfs/dbraw/zinc/48/93/27/434489327.db2.gz YCDMRTQCIOCGRF-GOSISDBHSA-N 1 0 304.478 3.303 10 0 DGAERO c1ccc(CN2CCCC[C@H]2C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000400642157 434492482 /nfs/dbraw/zinc/49/24/82/434492482.db2.gz PVIJTUIDXBTHIC-OALUTQOASA-N 1 0 302.462 3.057 10 0 DGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc2sccc2s1 ZINC000401681584 434499233 /nfs/dbraw/zinc/49/92/33/434499233.db2.gz VQDBPDLJAGAECG-ZDUSSCGKSA-N 1 0 306.456 3.367 10 0 DGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000401645978 434500073 /nfs/dbraw/zinc/50/00/73/434500073.db2.gz CQDDBTNFIKGSRN-ZDUSSCGKSA-N 1 0 313.228 3.398 10 0 DGAERO C[C@H]1C[C@H](NC(=O)NC2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000398056237 434449560 /nfs/dbraw/zinc/44/95/60/434449560.db2.gz DZBVFOMJFBXQES-YJBOKZPZSA-N 1 0 315.461 3.281 10 0 DGAERO C[C@]1(C[NH2+][C@@H]2CCCOCC2)CCCN1Cc1ccccc1 ZINC000397973109 434452751 /nfs/dbraw/zinc/45/27/51/434452751.db2.gz CGGLCGSCLMFIEI-RTBURBONSA-N 1 0 302.462 3.200 10 0 DGAERO C[C@@H]1C[C@@H](Nc2ccnc3cccnc32)C[N@@H+]1Cc1ccccc1 ZINC000398093208 434456770 /nfs/dbraw/zinc/45/67/70/434456770.db2.gz WSGXDGZKWFDYRW-NVXWUHKLSA-N 1 0 318.424 3.127 10 0 DGAERO Cc1cc(F)cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000329681743 434458225 /nfs/dbraw/zinc/45/82/25/434458225.db2.gz SCFGZPWGHZGTKT-WMLDXEAASA-N 1 0 317.364 3.110 10 0 DGAERO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Cl)ccc1Cl ZINC000404194509 434509241 /nfs/dbraw/zinc/50/92/41/434509241.db2.gz LIDWTRINKGJKNI-QMTHXVAHSA-N 1 0 304.217 3.186 10 0 DGAERO Cc1cc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)ccc1Br ZINC000407330380 434528834 /nfs/dbraw/zinc/52/88/34/434528834.db2.gz SDQFLERIHIJBNA-ZIAGYGMSSA-N 1 0 323.234 3.227 10 0 DGAERO CC[N@H+](CCOC[C@@H]1CCCO1)[C@H](C)Cc1ccc(OC)cc1 ZINC000525488527 295017762 /nfs/dbraw/zinc/01/77/62/295017762.db2.gz VTVVIKYYHRIGIV-APWZRJJASA-N 1 0 321.461 3.144 10 0 DGAERO c1ccc(OCCCCN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000526124294 295059571 /nfs/dbraw/zinc/05/95/71/295059571.db2.gz DVEJOJOZDORHAR-SFHVURJKSA-N 1 0 302.462 3.406 10 0 DGAERO C[C@@H]1C[C@H](C[NH2+]Cc2ccsc2Br)[C@H](C)O1 ZINC000527720651 295120515 /nfs/dbraw/zinc/12/05/15/295120515.db2.gz OZJNAOKJFSOZIV-WCABBAIRSA-N 1 0 304.253 3.414 10 0 DGAERO Cc1cc(C[NH2+]CCc2ccc(Br)cc2)ccn1 ZINC000527660128 295111469 /nfs/dbraw/zinc/11/14/69/295111469.db2.gz DSZVJNDYZKDKNR-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000527663687 295112046 /nfs/dbraw/zinc/11/20/46/295112046.db2.gz BRUHMHNMBNGZMM-NEPJUHHUSA-N 1 0 311.438 3.003 10 0 DGAERO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000527663689 295112127 /nfs/dbraw/zinc/11/21/27/295112127.db2.gz BRUHMHNMBNGZMM-RYUDHWBXSA-N 1 0 311.438 3.003 10 0 DGAERO Brc1cc(C[NH2+]CC[C@@H]2CCCOC2)cs1 ZINC000527741293 295123784 /nfs/dbraw/zinc/12/37/84/295123784.db2.gz YUZJMRFFNKQBMZ-JTQLQIEISA-N 1 0 304.253 3.417 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cscc1Br ZINC000527802486 295133200 /nfs/dbraw/zinc/13/32/00/295133200.db2.gz AGBFEAGNIOJWSA-JXVAYASWSA-N 1 0 304.253 3.412 10 0 DGAERO C[C@H]([N@H+](C)Cc1ccc(Br)c(F)c1F)C(C)(C)O ZINC000528515094 295221825 /nfs/dbraw/zinc/22/18/25/295221825.db2.gz ANWSYBBFMZITES-QMMMGPOBSA-N 1 0 322.193 3.319 10 0 DGAERO CC[N@H+](CCNC(=O)NCc1oc2ccccc2c1C)C(C)C ZINC000360547432 434635466 /nfs/dbraw/zinc/63/54/66/434635466.db2.gz RNQQYUCZCIAMQC-UHFFFAOYSA-N 1 0 317.433 3.271 10 0 DGAERO Clc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000371407701 434692134 /nfs/dbraw/zinc/69/21/34/434692134.db2.gz RYTVFAMHMUQIHZ-ABAIWWIYSA-N 1 0 316.228 3.421 10 0 DGAERO Brc1ccc2c(c1)C=C(C[NH2+][C@@H]1CC13CC3)CO2 ZINC000424182766 434648494 /nfs/dbraw/zinc/64/84/94/434648494.db2.gz HMYZNVIRTOVUIX-CQSZACIVSA-N 1 0 306.203 3.367 10 0 DGAERO COc1cc(Br)c(C[NH2+][C@@H]2CC23CC3)cc1OC ZINC000424182734 434648998 /nfs/dbraw/zinc/64/89/98/434648998.db2.gz HKDUHMAURHXHHI-CYBMUJFWSA-N 1 0 312.207 3.108 10 0 DGAERO COc1cc(Br)c(C[NH2+][C@H]2CC23CC3)cc1OC ZINC000424182735 434650898 /nfs/dbraw/zinc/65/08/98/434650898.db2.gz HKDUHMAURHXHHI-ZDUSSCGKSA-N 1 0 312.207 3.108 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)CCc2n[nH]c3ccccc23)n1 ZINC000360625038 434651241 /nfs/dbraw/zinc/65/12/41/434651241.db2.gz JUQRBJNQVWYIAD-CQSZACIVSA-N 1 0 324.428 3.120 10 0 DGAERO O[C@@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000349273832 434658394 /nfs/dbraw/zinc/65/83/94/434658394.db2.gz FLHQLNJZCPVLBY-JTQLQIEISA-N 1 0 302.123 3.396 10 0 DGAERO CN(CC1CC1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459680012 434662655 /nfs/dbraw/zinc/66/26/55/434662655.db2.gz UJUVKTUAGLMXFV-ZWKOTPCHSA-N 1 0 300.446 3.123 10 0 DGAERO O[C@H](CC[NH2+]C1CC(c2cccc(Cl)c2)C1)C(F)(F)F ZINC000349313785 434666883 /nfs/dbraw/zinc/66/68/83/434666883.db2.gz HFSZRUYCDYHCCQ-KGPNIALWSA-N 1 0 307.743 3.489 10 0 DGAERO O[C@@H](CC[NH2+]C1CC(c2cccc(Cl)c2)C1)C(F)(F)F ZINC000349313784 434668416 /nfs/dbraw/zinc/66/84/16/434668416.db2.gz HFSZRUYCDYHCCQ-GDKBPFBDSA-N 1 0 307.743 3.489 10 0 DGAERO CCC1(c2ccccc2)C[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000459740795 434687866 /nfs/dbraw/zinc/68/78/66/434687866.db2.gz DBFMKUKMOWDSJS-UHFFFAOYSA-N 1 0 318.424 3.431 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(CC2CCCCC2)C2CC2)CC1 ZINC000460224392 434748276 /nfs/dbraw/zinc/74/82/76/434748276.db2.gz DOSTVZMGJFUUPX-UHFFFAOYSA-N 1 0 319.493 3.393 10 0 DGAERO CC[C@@H](C)[C@@H](C)N(C(=O)NCC[N@H+]1CC=C(C)CC1)C1CC1 ZINC000460226328 434748379 /nfs/dbraw/zinc/74/83/79/434748379.db2.gz IOEHHBDSPKTVLX-HZPDHXFCSA-N 1 0 307.482 3.247 10 0 DGAERO c1cn(C2CCCC2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441280672 434761603 /nfs/dbraw/zinc/76/16/03/434761603.db2.gz SOCHICUSVQUOHS-HZPDHXFCSA-N 1 0 303.450 3.247 10 0 DGAERO COC1([C@H](C)[NH2+]CC(C)(C)c2ccccc2C)CCOCC1 ZINC000453098793 434800275 /nfs/dbraw/zinc/80/02/75/434800275.db2.gz SLTXNVWQSJHLBF-INIZCTEOSA-N 1 0 305.462 3.446 10 0 DGAERO COC1([C@@H](C)[NH2+]CC(C)(C)c2cccc(C)c2)CCOCC1 ZINC000453099805 434801565 /nfs/dbraw/zinc/80/15/65/434801565.db2.gz ZKPPDFTVNBVXRC-MRXNPFEDSA-N 1 0 305.462 3.446 10 0 DGAERO CC(C)[C@@H](CNC(=O)N1CCCC12CCC2)[NH+]1CCC(C)CC1 ZINC000444846842 434790891 /nfs/dbraw/zinc/79/08/91/434790891.db2.gz JZINBAHJZWXSBU-QGZVFWFLSA-N 1 0 321.509 3.471 10 0 DGAERO C[C@H]1CCC[C@](CNC(=O)N2CCCC23CCC3)([NH+](C)C)C1 ZINC000445264968 434793385 /nfs/dbraw/zinc/79/33/85/434793385.db2.gz MRFPLJXCITZHSR-YJBOKZPZSA-N 1 0 307.482 3.225 10 0 DGAERO c1ccc2c(c1)CO[C@]21CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000361092672 434794275 /nfs/dbraw/zinc/79/42/75/434794275.db2.gz NGHIQQQZSJLTNT-FQEVSTJZSA-N 1 0 323.392 3.437 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@H](C)Sc2ccccc2)CCOCC1 ZINC000453121809 434807190 /nfs/dbraw/zinc/80/71/90/434807190.db2.gz PIYVXNWBSSDKHX-LSDHHAIUSA-N 1 0 309.475 3.341 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1ccc3n[nH]cc3c1)CC2 ZINC000372437977 434828521 /nfs/dbraw/zinc/82/85/21/434828521.db2.gz DWYCPXOIHVHOKV-LLVKDONJSA-N 1 0 323.400 3.153 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc3c[nH]nc3c1)CC2 ZINC000372439362 434829478 /nfs/dbraw/zinc/82/94/78/434829478.db2.gz LKVCIXYPKHNWEE-NSHDSACASA-N 1 0 323.400 3.153 10 0 DGAERO COC1([C@H](C)[NH2+]CCc2ccc(SC)cc2)CCOCC1 ZINC000453217572 434831500 /nfs/dbraw/zinc/83/15/00/434831500.db2.gz PHLVUJRDLYLIKA-AWEZNQCLSA-N 1 0 309.475 3.125 10 0 DGAERO C[C@H](CCO)CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453225541 434833173 /nfs/dbraw/zinc/83/31/73/434833173.db2.gz CECTWJNKWGFJEL-SMDDNHRTSA-N 1 0 316.367 3.476 10 0 DGAERO COC1([C@@H](C)[NH2+]CCCOc2cccc(C)c2C)CCOCC1 ZINC000453232947 434835671 /nfs/dbraw/zinc/83/56/71/434835671.db2.gz XICJRBBXOMFWED-QGZVFWFLSA-N 1 0 321.461 3.246 10 0 DGAERO C[NH+](C)CCc1ccccc1NC(=O)N(CC1CC1)CC1CC1 ZINC000446565054 434863647 /nfs/dbraw/zinc/86/36/47/434863647.db2.gz NEJLYVYAGHFUNL-UHFFFAOYSA-N 1 0 315.461 3.445 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC2CCCCC2)C1(CC)CC ZINC000553439272 434889981 /nfs/dbraw/zinc/88/99/81/434889981.db2.gz VHSIALNNCZTUIY-JKSUJKDBSA-N 1 0 310.482 3.009 10 0 DGAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000462000549 434895564 /nfs/dbraw/zinc/89/55/64/434895564.db2.gz DKZPGFALWAXSPY-HRCADAONSA-N 1 0 321.465 3.491 10 0 DGAERO CC[C@H](Nc1ccccc1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000461213336 434873085 /nfs/dbraw/zinc/87/30/85/434873085.db2.gz CXEXKNGOTGHNLV-SFHVURJKSA-N 1 0 317.477 3.115 10 0 DGAERO CC[NH+]1CCC(CCNc2cnc3cc(F)c(F)cc3n2)CC1 ZINC000462893444 434936053 /nfs/dbraw/zinc/93/60/53/434936053.db2.gz FEHACKCOXZJBQV-UHFFFAOYSA-N 1 0 320.387 3.442 10 0 DGAERO COc1cc2c(cc1C[NH2+]CCc1ccccc1O)O[C@H](C)C2 ZINC000523495245 434952102 /nfs/dbraw/zinc/95/21/02/434952102.db2.gz RLLRAYMBSLEDGT-CYBMUJFWSA-N 1 0 313.397 3.057 10 0 DGAERO COc1cccc2c1CC[N@H+](C[C@@H](OC)c1ccccc1)CC2 ZINC000555004487 434957072 /nfs/dbraw/zinc/95/70/72/434957072.db2.gz HEZKSVUEIPCBCA-HXUWFJFHSA-N 1 0 311.425 3.484 10 0 DGAERO C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000463491712 434962784 /nfs/dbraw/zinc/96/27/84/434962784.db2.gz AKYBRCHOFMXZNO-KGLIPLIRSA-N 1 0 320.399 3.299 10 0 DGAERO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462787535 434927371 /nfs/dbraw/zinc/92/73/71/434927371.db2.gz KWUOIGQTDXZHKE-CJNGLKHVSA-N 1 0 307.434 3.139 10 0 DGAERO CC[NH+](CC)CC1CCN(c2nc3ccccc3nc2C)CC1 ZINC000462784139 434927997 /nfs/dbraw/zinc/92/79/97/434927997.db2.gz BWVQXMXRGRCQHJ-UHFFFAOYSA-N 1 0 312.461 3.496 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000462799825 434929314 /nfs/dbraw/zinc/92/93/14/434929314.db2.gz YJHNZQXTDOUPLT-GOSISDBHSA-N 1 0 305.418 3.301 10 0 DGAERO Fc1ccc(-c2n[nH]cc2C[NH2+]CCOCC2CCC2)cc1 ZINC000573892787 434934213 /nfs/dbraw/zinc/93/42/13/434934213.db2.gz MCQQHOPXGSLIBM-UHFFFAOYSA-N 1 0 303.381 3.122 10 0 DGAERO CC1=[N+]([O-])[C@](C)(c2ccc(Cl)cc2)[N+](O)=C1c1ccccc1 ZINC000575346738 435032146 /nfs/dbraw/zinc/03/21/46/435032146.db2.gz IKJLBEWBFUJZFR-KRWDZBQOSA-N 1 0 316.788 3.280 10 0 DGAERO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000525122936 435005349 /nfs/dbraw/zinc/00/53/49/435005349.db2.gz RBIOICJJWRZJAW-QGZVFWFLSA-N 1 0 314.473 3.390 10 0 DGAERO C[C@@H](CNC(=O)N1CCC2(C1)CCCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000465531757 435033371 /nfs/dbraw/zinc/03/33/71/435033371.db2.gz BRODGAGEPFOFBD-SJORKVTESA-N 1 0 321.509 3.473 10 0 DGAERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCc1cccc2ccccc21 ZINC000466668405 435087026 /nfs/dbraw/zinc/08/70/26/435087026.db2.gz YSHCZTULAXPRHH-HOTGVXAUSA-N 1 0 310.441 3.371 10 0 DGAERO C[C@@H]1C[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465674271 435037872 /nfs/dbraw/zinc/03/78/72/435037872.db2.gz BOGBHADCXYBUDF-HLPPOEQASA-N 1 0 321.490 3.086 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000465667289 435038005 /nfs/dbraw/zinc/03/80/05/435038005.db2.gz WOFRONXYTPMIFP-SJORKVTESA-N 1 0 309.498 3.376 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCC[C@H]2C)CC1 ZINC000465709405 435040207 /nfs/dbraw/zinc/04/02/07/435040207.db2.gz CUMOSZLTTLTWCP-WBVHZDCISA-N 1 0 309.498 3.234 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N(CC2CC2)C2CCC2)CC1 ZINC000474462302 435147914 /nfs/dbraw/zinc/14/79/14/435147914.db2.gz YIMBOIRDSBYPKY-UHFFFAOYSA-N 1 0 307.482 3.083 10 0 DGAERO COc1ccccc1/C=C\C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000466894980 435097274 /nfs/dbraw/zinc/09/72/74/435097274.db2.gz DCYJWQDWUHAXIW-SMTIMMHKSA-N 1 0 311.425 3.210 10 0 DGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncnc2c3ccccc3oc21 ZINC000531559419 435102028 /nfs/dbraw/zinc/10/20/28/435102028.db2.gz OWAUJGDILKOHHO-BXUZGUMPSA-N 1 0 308.385 3.271 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000578754459 435107556 /nfs/dbraw/zinc/10/75/56/435107556.db2.gz RHVBVTTWBZKUTB-HNNXBMFYSA-N 1 0 318.424 3.135 10 0 DGAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000467284363 435116256 /nfs/dbraw/zinc/11/62/56/435116256.db2.gz QRHUDQUVUZBLLW-PIIMJCKOSA-N 1 0 300.446 3.013 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531868874 435124201 /nfs/dbraw/zinc/12/42/01/435124201.db2.gz OLTCSBLKLCROHQ-AWEZNQCLSA-N 1 0 320.433 3.034 10 0 DGAERO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000531954697 435128526 /nfs/dbraw/zinc/12/85/26/435128526.db2.gz JOVDJJWUYLMPFN-ZANVPECISA-N 1 0 317.658 3.142 10 0 DGAERO CC[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C(F)(F)F ZINC000468942983 435129253 /nfs/dbraw/zinc/12/92/53/435129253.db2.gz IWZWABCWNXCGJF-QEJZJMRPSA-N 1 0 300.368 3.437 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000469258540 435130681 /nfs/dbraw/zinc/13/06/81/435130681.db2.gz KASAKPJMXCQWKH-YPLQCARHSA-N 1 0 304.478 3.286 10 0 DGAERO COc1c(C)cnc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C ZINC000470958436 435135471 /nfs/dbraw/zinc/13/54/71/435135471.db2.gz HMOUQRDRYFDLNS-NEPJUHHUSA-N 1 0 302.340 3.480 10 0 DGAERO C[C@H](OCc1ccccc1)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639070014 435143641 /nfs/dbraw/zinc/14/36/41/435143641.db2.gz CLJQIJHZTAKVNK-DOTOQJQBSA-N 1 0 324.424 3.071 10 0 DGAERO C[C@@H]1CCN(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000532845339 435194851 /nfs/dbraw/zinc/19/48/51/435194851.db2.gz UVDJHYYLTXCTBO-ZHALLVOQSA-N 1 0 302.462 3.086 10 0 DGAERO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCCC(F)(F)C2)CC1 ZINC000532284094 435155181 /nfs/dbraw/zinc/15/51/81/435155181.db2.gz UEIIXZJGPGIFGM-CYBMUJFWSA-N 1 0 317.424 3.080 10 0 DGAERO C[C@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)c1cccnc1 ZINC000186816664 298131073 /nfs/dbraw/zinc/13/10/73/298131073.db2.gz STRZAGLVJZLDFH-INIZCTEOSA-N 1 0 317.477 3.346 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCOc1ccccc1)CC2 ZINC000534480739 435290652 /nfs/dbraw/zinc/29/06/52/435290652.db2.gz RLRORQDWBVSRNR-UHFFFAOYSA-N 1 0 309.409 3.369 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CC2(C)C)CC1 ZINC000479429089 435331776 /nfs/dbraw/zinc/33/17/76/435331776.db2.gz HYOZPCUFRRXAFR-NVXWUHKLSA-N 1 0 321.509 3.471 10 0 DGAERO C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C1CC1 ZINC000479612169 435341594 /nfs/dbraw/zinc/34/15/94/435341594.db2.gz IBCSYRLMRTVDHQ-HNNXBMFYSA-N 1 0 315.461 3.091 10 0 DGAERO CCc1nc(C(C)(C)NC/C=C/c2ccc(F)c(F)c2)no1 ZINC000512350510 435352748 /nfs/dbraw/zinc/35/27/48/435352748.db2.gz PUJSRAVEZXZTAB-AATRIKPKSA-N 1 0 307.344 3.448 10 0 DGAERO C[C@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)C[C@H]1[NH3+] ZINC000643600690 435353639 /nfs/dbraw/zinc/35/36/39/435353639.db2.gz UNZAEHWCEPSFQR-OIBJUYFYSA-N 1 0 312.797 3.113 10 0 DGAERO C[C@@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)C[C@@H]1[NH3+] ZINC000643600691 435354089 /nfs/dbraw/zinc/35/40/89/435354089.db2.gz UNZAEHWCEPSFQR-XCBNKYQSSA-N 1 0 312.797 3.113 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)C1CCC(F)(F)CC1)C1CCCCC1 ZINC000536170480 435371543 /nfs/dbraw/zinc/37/15/43/435371543.db2.gz VZGXBPSQTXHALN-OAHLLOKOSA-N 1 0 316.436 3.439 10 0 DGAERO C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC000644051610 435399307 /nfs/dbraw/zinc/39/93/07/435399307.db2.gz GIIXXYXOCRLCSE-QPUJVOFHSA-N 1 0 301.217 3.169 10 0 DGAERO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000483252099 435506432 /nfs/dbraw/zinc/50/64/32/435506432.db2.gz VBFOLLIFNDEBFC-ZWKOTPCHSA-N 1 0 305.462 3.322 10 0 DGAERO C[C@H](NCc1cc(Cl)ccc1Br)[C@H]1CC[NH2+]C1 ZINC000569223333 435513189 /nfs/dbraw/zinc/51/31/89/435513189.db2.gz WABOBOBIQYSDPP-UWVGGRQHSA-N 1 0 317.658 3.190 10 0 DGAERO CC(C)OC(=O)[C@@H]1CCCN1Cc1cccc2c1OC(C)(C)C2 ZINC000538718307 435515116 /nfs/dbraw/zinc/51/51/16/435515116.db2.gz JHXISDUGPMPCBA-INIZCTEOSA-N 1 0 317.429 3.316 10 0 DGAERO C/C=C/COc1ccc(CC[C@H](C)[NH2+]Cc2ccn(C)n2)cc1 ZINC000539063516 435537178 /nfs/dbraw/zinc/53/71/78/435537178.db2.gz JAYFLYKVRGSJOS-APHBUQMISA-N 1 0 313.445 3.486 10 0 DGAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1(C)C ZINC000484287613 435542324 /nfs/dbraw/zinc/54/23/24/435542324.db2.gz GUGGBYAXDINZOV-WZGPROSRSA-N 1 0 316.489 3.300 10 0 DGAERO CC[N@H+](CCC1CCN(C(=O)NC[C@H]2C[C@H]2C)CC1)CC(C)C ZINC000539172997 435542727 /nfs/dbraw/zinc/54/27/27/435542727.db2.gz NWCAXVBDZSLRDW-SJLPKXTDSA-N 1 0 323.525 3.432 10 0 DGAERO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000540733017 435615737 /nfs/dbraw/zinc/61/57/37/435615737.db2.gz GHLUTJVFVVNACS-CABCVRRESA-N 1 0 324.350 3.260 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000517990532 435621958 /nfs/dbraw/zinc/62/19/58/435621958.db2.gz KNLHFZVVZZUMKX-RTBURBONSA-N 1 0 314.473 3.342 10 0 DGAERO CC(C)c1ccc(/C=C/CC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000490402728 435654368 /nfs/dbraw/zinc/65/43/68/435654368.db2.gz VQBGMSYFAQVVHA-GQCTYLIASA-N 1 0 300.446 3.377 10 0 DGAERO Cc1ccc(-c2noc(CN3C[C@H](C)O[C@@H](C4CC4)C3)n2)cc1 ZINC000518858460 435657686 /nfs/dbraw/zinc/65/76/86/435657686.db2.gz HBZJNCJIGGDBTC-XJKSGUPXSA-N 1 0 313.401 3.044 10 0 DGAERO CC[NH+](CC)CCCN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000549141434 435745391 /nfs/dbraw/zinc/74/53/91/435745391.db2.gz LQOMJTRVUAIXBM-INIZCTEOSA-N 1 0 312.498 3.162 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000549175600 435748009 /nfs/dbraw/zinc/74/80/09/435748009.db2.gz FHFMGIJKIDROQG-SSZFMOIBSA-N 1 0 300.446 3.327 10 0 DGAERO C[N@H+](CCC(=O)NC[C@@](C)(O)C1CCCCC1)C1CCCCC1 ZINC000548719318 435712805 /nfs/dbraw/zinc/71/28/05/435712805.db2.gz AOKDKUNFIDYZRO-LJQANCHMSA-N 1 0 324.509 3.089 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H]3CC(C)=C[C@@H](C)C3)[C@H]2C1 ZINC000572269944 435804152 /nfs/dbraw/zinc/80/41/52/435804152.db2.gz YPOKRYDPKIECIJ-RUZYHRDJSA-N 1 0 304.478 3.215 10 0 DGAERO C[C@@H]([NH3+])CCNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000646678760 435909325 /nfs/dbraw/zinc/90/93/25/435909325.db2.gz UOEBTEMAPLUKGC-SSDOTTSWSA-N 1 0 300.786 3.161 10 0 DGAERO C[C@H]([NH2+]Cc1cnc2n1CCC2)c1cccc(Br)c1 ZINC000657299695 436123367 /nfs/dbraw/zinc/12/33/67/436123367.db2.gz XZMWGJMSZPKBCJ-NSHDSACASA-N 1 0 320.234 3.443 10 0 DGAERO Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCCO2 ZINC000126717798 301285538 /nfs/dbraw/zinc/28/55/38/301285538.db2.gz MBZPSXODSCFNFT-SWLSCSKDSA-N 1 0 322.836 3.073 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCSCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000657851169 436326247 /nfs/dbraw/zinc/32/62/47/436326247.db2.gz AZVIIIGCAUVQCZ-OCCSQVGLSA-N 1 0 313.488 3.026 10 0 DGAERO [NH3+]C1CCC(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000662873924 436397070 /nfs/dbraw/zinc/39/70/70/436397070.db2.gz TYKMCKPOBZZOIS-UHFFFAOYSA-N 1 0 301.217 3.127 10 0 DGAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(F)c(Br)c1F ZINC000662918560 436401576 /nfs/dbraw/zinc/40/15/76/436401576.db2.gz JEAWXJYLUVCVSO-MRVPVSSYSA-N 1 0 321.165 3.039 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H]2C)cc1 ZINC000248497115 301699302 /nfs/dbraw/zinc/69/93/02/301699302.db2.gz LQMJRFCNSCHVCF-BSWAZPDLSA-N 1 0 307.459 3.078 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1Cl ZINC000658246122 436409714 /nfs/dbraw/zinc/40/97/14/436409714.db2.gz XTFOMJYHITYFMW-VHSXEESVSA-N 1 0 301.217 3.122 10 0 DGAERO Cc1ccccc1[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)C ZINC000175754690 302191363 /nfs/dbraw/zinc/19/13/63/302191363.db2.gz KOIIIDNJZZMUKM-WBVHZDCISA-N 1 0 317.477 3.428 10 0 DGAERO Cc1ccccc1[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1ccccc1 ZINC000184304351 302199770 /nfs/dbraw/zinc/19/97/70/302199770.db2.gz WKAJVVYTGMCUQE-KLHJMIIUSA-N 1 0 301.455 3.441 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000245928933 302308731 /nfs/dbraw/zinc/30/87/31/302308731.db2.gz INYYLWZXCPGDJB-KFWWJZLASA-N 1 0 306.475 3.151 10 0 DGAERO Cc1nc(C(=O)N(CC[NH+](C)C)C2CCCCC2)c(C)s1 ZINC000178577360 302549330 /nfs/dbraw/zinc/54/93/30/302549330.db2.gz WFPSDFNJBGMANI-UHFFFAOYSA-N 1 0 309.479 3.096 10 0 DGAERO FC(F)(F)c1cccc([C@H]([NH2+]CC2OCCO2)C2CC2)c1 ZINC000180272103 303118738 /nfs/dbraw/zinc/11/87/38/303118738.db2.gz KRETVVZBRXRLNF-CQSZACIVSA-N 1 0 301.308 3.119 10 0 DGAERO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000131677612 303432632 /nfs/dbraw/zinc/43/26/32/303432632.db2.gz RJPADRGRMVIDIB-QZTJIDSGSA-N 1 0 310.397 3.252 10 0 DGAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC12CCC2 ZINC000435583852 303803326 /nfs/dbraw/zinc/80/33/26/303803326.db2.gz IMUUYWDYQBIUBW-OAHLLOKOSA-N 1 0 317.433 3.145 10 0 DGAERO CCCC[C@H](COC)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000132804071 312651517 /nfs/dbraw/zinc/65/15/17/312651517.db2.gz LCAXKFGTKVTBDY-QGZVFWFLSA-N 1 0 319.493 3.446 10 0 DGAERO CC(C)[C@@H](SCc1ccccc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868464 312703667 /nfs/dbraw/zinc/70/36/67/312703667.db2.gz PKCIBMCXYKFJGT-DLBZAZTESA-N 1 0 320.502 3.107 10 0 DGAERO Fc1ccc(OCC[NH2+]CC2=Cc3ccccc3OC2)c(F)c1 ZINC000171676233 312727230 /nfs/dbraw/zinc/72/72/30/312727230.db2.gz RASUOIOWLBCDHV-UHFFFAOYSA-N 1 0 317.335 3.409 10 0 DGAERO CC[C@H](O)CN1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000174088980 312760188 /nfs/dbraw/zinc/76/01/88/312760188.db2.gz GBIYTKHULQTPNL-ABHNRTSZSA-N 1 0 310.526 3.227 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1 ZINC000178118291 312786412 /nfs/dbraw/zinc/78/64/12/312786412.db2.gz FWEZEUKOCKLTNJ-KBXCAEBGSA-N 1 0 301.434 3.238 10 0 DGAERO OC[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(Br)c1 ZINC000178947414 312794246 /nfs/dbraw/zinc/79/42/46/312794246.db2.gz XGTSAIVQWRKANS-SWLSCSKDSA-N 1 0 310.235 3.428 10 0 DGAERO c1cc2c(c(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)c1)OCO2 ZINC000376414998 312946404 /nfs/dbraw/zinc/94/64/04/312946404.db2.gz MYAAGTXYEAKTER-BZUAXINKSA-N 1 0 303.402 3.100 10 0 DGAERO Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000377221710 313029582 /nfs/dbraw/zinc/02/95/82/313029582.db2.gz KCJRHKQVLWLGSL-IAGOWNOFSA-N 1 0 319.836 3.334 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3N[C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218281 313341362 /nfs/dbraw/zinc/34/13/62/313341362.db2.gz INKKFMDKJQQLLJ-PKOBYXMFSA-N 1 0 312.457 3.263 10 0 DGAERO CC(C)[C@H]1C[NH2+]CCN1CCOc1c(Cl)cccc1Cl ZINC000530231159 313344057 /nfs/dbraw/zinc/34/40/57/313344057.db2.gz WYIOJKMQWZMAPM-CQSZACIVSA-N 1 0 317.260 3.302 10 0 DGAERO CC[C@@H]([NH2+]CCCc1ccc(OC)c(OC)c1)C1CCOCC1 ZINC000531956246 313505071 /nfs/dbraw/zinc/50/50/71/313505071.db2.gz MQMQGYVIGYTBSV-QGZVFWFLSA-N 1 0 321.461 3.431 10 0 DGAERO c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000540153048 313949505 /nfs/dbraw/zinc/94/95/05/313949505.db2.gz CTKGSHUBSIZTJJ-VJANTYMQSA-N 1 0 301.430 3.250 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000541452003 314015578 /nfs/dbraw/zinc/01/55/78/314015578.db2.gz VZCLONSUIWJMEH-QGZVFWFLSA-N 1 0 315.461 3.246 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000541492275 314018509 /nfs/dbraw/zinc/01/85/09/314018509.db2.gz BKBCMCAOKYHGSW-WMZOPIPTSA-N 1 0 321.509 3.495 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000541492274 314018574 /nfs/dbraw/zinc/01/85/74/314018574.db2.gz BKBCMCAOKYHGSW-SJLPKXTDSA-N 1 0 321.509 3.495 10 0 DGAERO O[C@H](C[NH2+]C1(C2CC2)CC1)COc1c(Cl)cccc1Cl ZINC000541593969 314026575 /nfs/dbraw/zinc/02/65/75/314026575.db2.gz KOEKZTICDWQXBS-LLVKDONJSA-N 1 0 316.228 3.265 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000542377686 314072876 /nfs/dbraw/zinc/07/28/76/314072876.db2.gz GMLMOHXKAUPKEB-INIZCTEOSA-N 1 0 307.482 3.249 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2C[C@@H]2C)CC1 ZINC000542983877 314109272 /nfs/dbraw/zinc/10/92/72/314109272.db2.gz RQZVGNXGIBFOHF-RDJZCZTQSA-N 1 0 309.498 3.186 10 0 DGAERO C(=C\[C@@H]1CCCCC[N@H+]1CCN1CCOCC1)\c1cccs1 ZINC000543060259 314111755 /nfs/dbraw/zinc/11/17/55/314111755.db2.gz DOFGMKJWDYBRSL-QWPQOLDESA-N 1 0 320.502 3.338 10 0 DGAERO C[C@H](Cc1ccsc1)[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000543081021 314113715 /nfs/dbraw/zinc/11/37/15/314113715.db2.gz LXGYNHKAPUKGEN-RHSMWYFYSA-N 1 0 314.454 3.242 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000543103235 314114292 /nfs/dbraw/zinc/11/42/92/314114292.db2.gz FBKYJNRMAQNMHC-QGZVFWFLSA-N 1 0 317.477 3.226 10 0 DGAERO C[C@H](CNC(=O)N(C)C[C@H]1CC=CCC1)[N@@H+]1CCCC[C@H]1C ZINC000543352127 314128856 /nfs/dbraw/zinc/12/88/56/314128856.db2.gz PQQLLPFKCZEPBB-ZACQAIPSSA-N 1 0 307.482 3.247 10 0 DGAERO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCCC1CC1 ZINC000543423021 314132969 /nfs/dbraw/zinc/13/29/69/314132969.db2.gz QWYMRYPVQPUIMA-LJQANCHMSA-N 1 0 302.462 3.148 10 0 DGAERO CC[C@@H]([NH2+]Cc1nc(-c2ccc(C)cc2)no1)[C@H]1CCCO1 ZINC000543495559 314139525 /nfs/dbraw/zinc/13/95/25/314139525.db2.gz ZVEWJUBWJMYJNS-HUUCEWRRSA-N 1 0 301.390 3.092 10 0 DGAERO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000543559128 314141605 /nfs/dbraw/zinc/14/16/05/314141605.db2.gz LUZGKOVPWUIOHK-CQSZACIVSA-N 1 0 304.390 3.008 10 0 DGAERO OC[C@H]([NH2+]CCc1ccccc1)c1ccc(Br)cc1 ZINC000543840157 314159900 /nfs/dbraw/zinc/15/99/00/314159900.db2.gz PJXHJKRXAVSSOB-INIZCTEOSA-N 1 0 320.230 3.315 10 0 DGAERO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@@H]1CC=CCC1 ZINC000544118675 314174672 /nfs/dbraw/zinc/17/46/72/314174672.db2.gz ZMTYUQDRBQUIKM-CYBMUJFWSA-N 1 0 317.820 3.136 10 0 DGAERO O=C(c1ccc(-c2ccccc2)o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000544237214 314181876 /nfs/dbraw/zinc/18/18/76/314181876.db2.gz LKRIAGVZNMUMEO-MRXNPFEDSA-N 1 0 310.397 3.257 10 0 DGAERO Cc1nc2ccc(NC(=O)N(C)CCC[NH+](C)C)cc2s1 ZINC000544504532 314196150 /nfs/dbraw/zinc/19/61/50/314196150.db2.gz VOAOJOVUOAJIMJ-UHFFFAOYSA-N 1 0 306.435 3.020 10 0 DGAERO CC[C@@H](CCO)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000544568263 314199613 /nfs/dbraw/zinc/19/96/13/314199613.db2.gz DJLURVHKKKLXIO-SUMWQHHRSA-N 1 0 321.852 3.161 10 0 DGAERO CCC[C@H](CCc1ccccc1)NC(=O)N(C)CCC[NH+](C)C ZINC000544655332 314204262 /nfs/dbraw/zinc/20/42/62/314204262.db2.gz LCHIFYYXIPPLPH-GOSISDBHSA-N 1 0 319.493 3.381 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cn1 ZINC000545199388 314232216 /nfs/dbraw/zinc/23/22/16/314232216.db2.gz ANPOXZXJGNMJFM-OAHLLOKOSA-N 1 0 304.434 3.334 10 0 DGAERO CCc1ccc(CN(C)C(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000546565592 314310842 /nfs/dbraw/zinc/31/08/42/314310842.db2.gz CPYFHXBQKBIZAN-UHFFFAOYSA-N 1 0 315.461 3.042 10 0 DGAERO Fc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2)cc1 ZINC000552293273 314609804 /nfs/dbraw/zinc/60/98/04/314609804.db2.gz WHDZLRSYNSCQKS-SAABIXHNSA-N 1 0 322.387 3.442 10 0 DGAERO C[C@@H](C[NH+](C)C)NC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000553791543 314655481 /nfs/dbraw/zinc/65/54/81/314655481.db2.gz OGKCNJBYLMEMON-KRWDZBQOSA-N 1 0 324.468 3.154 10 0 DGAERO CC(C)(C)OC(=O)C1CCC([NH2+]CCOCC2CCC2)CC1 ZINC000555233803 314716712 /nfs/dbraw/zinc/71/67/12/314716712.db2.gz IAFVZIZLFUKFEB-UHFFFAOYSA-N 1 0 311.466 3.293 10 0 DGAERO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CCc1ccccc1 ZINC000560175730 314905708 /nfs/dbraw/zinc/90/57/08/314905708.db2.gz VMLBWQJXHOLQJX-QFBILLFUSA-N 1 0 311.425 3.239 10 0 DGAERO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCOCC1CCC1 ZINC000562280567 315005474 /nfs/dbraw/zinc/00/54/74/315005474.db2.gz AJJOSLDLBNQGSY-ZDUSSCGKSA-N 1 0 324.852 3.463 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)Nc2cnn(C(C)C)c2)CC1 ZINC000562306104 315008047 /nfs/dbraw/zinc/00/80/47/315008047.db2.gz BPXRAALQCCWEJL-UHFFFAOYSA-N 1 0 321.469 3.050 10 0 DGAERO c1ccc2c(c1)OC[C@@H](CC[NH2+]C1CCC3(CCCO3)CC1)O2 ZINC000562823315 315055243 /nfs/dbraw/zinc/05/52/43/315055243.db2.gz OMIVEIPMFVPDQJ-KOHRHEQBSA-N 1 0 317.429 3.298 10 0 DGAERO Clc1ccc(C[NH2+]CCCN2CCC2)cc1Br ZINC000563417925 315113087 /nfs/dbraw/zinc/11/30/87/315113087.db2.gz SMGYNTZNJGTKQZ-UHFFFAOYSA-N 1 0 317.658 3.288 10 0 DGAERO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCOCC1CCC1 ZINC000564654104 315189016 /nfs/dbraw/zinc/18/90/16/315189016.db2.gz SFZCASJMERQZSI-CQSZACIVSA-N 1 0 301.434 3.290 10 0 DGAERO Cc1cc(-c2nnc(C[N@@H+]3CC[C@H](c4cccnc4)C3)o2)c(C)o1 ZINC000564920199 315212244 /nfs/dbraw/zinc/21/22/44/315212244.db2.gz UGNMNISXSPWERV-HNNXBMFYSA-N 1 0 324.384 3.331 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000566425069 315344886 /nfs/dbraw/zinc/34/48/86/315344886.db2.gz RYWVABIIXYIUKR-IBGZPJMESA-N 1 0 307.441 3.324 10 0 DGAERO Cn1cc([C@@H]([NH2+]CCOCC2CCC2)c2cccc(F)c2)cn1 ZINC000569418974 315579173 /nfs/dbraw/zinc/57/91/73/315579173.db2.gz HJKHZLMKODPNTE-SFHVURJKSA-N 1 0 317.408 3.055 10 0 DGAERO COc1ccc(C[NH2+]CCOCC2CCC2)cc1OC(F)F ZINC000575227709 316044599 /nfs/dbraw/zinc/04/45/99/316044599.db2.gz LPZWHYCQIBPARB-UHFFFAOYSA-N 1 0 315.360 3.203 10 0 DGAERO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCOCC2CCC2)c1 ZINC000575965441 316079433 /nfs/dbraw/zinc/07/94/33/316079433.db2.gz SKZZBEZUDHSHOU-OAHLLOKOSA-N 1 0 304.434 3.118 10 0 DGAERO O=C(c1cc2sccc2s1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577602070 316251976 /nfs/dbraw/zinc/25/19/76/316251976.db2.gz PXKDVEWPAHWWNI-HNNXBMFYSA-N 1 0 306.456 3.179 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000179996058 323219116 /nfs/dbraw/zinc/21/91/16/323219116.db2.gz OZQAIGGMHGKEPT-QGZVFWFLSA-N 1 0 315.461 3.193 10 0 DGAERO CC[C@H]([NH2+]Cc1nnnn1C(C)C)C(C)(C)c1ccccc1 ZINC000180012106 323219566 /nfs/dbraw/zinc/21/95/66/323219566.db2.gz ASEOQPSYNSLCAY-HNNXBMFYSA-N 1 0 301.438 3.100 10 0 DGAERO CCc1ccsc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180163011 323222503 /nfs/dbraw/zinc/22/25/03/323222503.db2.gz RWNKNCIIZPNAGR-JKSUJKDBSA-N 1 0 314.454 3.486 10 0 DGAERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1F ZINC000180171040 323223073 /nfs/dbraw/zinc/22/30/73/323223073.db2.gz CZRHQZZQSDGOIR-ZWKOTPCHSA-N 1 0 312.388 3.309 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(N(C)C)c1C ZINC000180188868 323223088 /nfs/dbraw/zinc/22/30/88/323223088.db2.gz MWIZMMBKAKIBKY-HNNXBMFYSA-N 1 0 318.465 3.009 10 0 DGAERO CCCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180491253 323230735 /nfs/dbraw/zinc/23/07/35/323230735.db2.gz VCMDHHADSMCUKI-VQIMIIECSA-N 1 0 320.477 3.237 10 0 DGAERO c1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000180592699 323233582 /nfs/dbraw/zinc/23/35/82/323233582.db2.gz ACQYATCRQBVIMN-MOPGFXCFSA-N 1 0 324.472 3.374 10 0 DGAERO CCCc1csc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)n1 ZINC000180639371 323234737 /nfs/dbraw/zinc/23/47/37/323234737.db2.gz LCYMFKWLRPUMKI-UONOGXRCSA-N 1 0 322.478 3.186 10 0 DGAERO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC12CCCCC2 ZINC000180667141 323235349 /nfs/dbraw/zinc/23/53/49/323235349.db2.gz MGPUWBDTOXHIDQ-QGZVFWFLSA-N 1 0 316.445 3.080 10 0 DGAERO C[C@H](C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C)CS(C)(=O)=O ZINC000181068470 323245298 /nfs/dbraw/zinc/24/52/98/323245298.db2.gz WUGDBICXDOZGCD-IUODEOHRSA-N 1 0 315.454 3.183 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000181140639 323246608 /nfs/dbraw/zinc/24/66/08/323246608.db2.gz BODRUJKTJCRSSM-JHJVBQTASA-N 1 0 308.388 3.058 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000181371455 323252686 /nfs/dbraw/zinc/25/26/86/323252686.db2.gz PPEBJASONNAXPC-OCCSQVGLSA-N 1 0 314.351 3.138 10 0 DGAERO C[C@H]([NH2+]CCCOc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000182022286 323280229 /nfs/dbraw/zinc/28/02/29/323280229.db2.gz YJWWIIUPCQJJRP-INIZCTEOSA-N 1 0 322.412 3.387 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000182029613 323280708 /nfs/dbraw/zinc/28/07/08/323280708.db2.gz PIJKFHJREYNXQJ-GOSISDBHSA-N 1 0 309.457 3.078 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)cc(F)c1 ZINC000182079267 323282632 /nfs/dbraw/zinc/28/26/32/323282632.db2.gz CBLXXVZUDJWSAF-HZPDHXFCSA-N 1 0 305.397 3.225 10 0 DGAERO CC(C)(C)NC(=O)C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000182189833 323286524 /nfs/dbraw/zinc/28/65/24/323286524.db2.gz LXVXSZJKXRIUFR-UHFFFAOYSA-N 1 0 310.441 3.454 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCC(=O)OC(C)(C)C ZINC000182211816 323287043 /nfs/dbraw/zinc/28/70/43/323287043.db2.gz HOJQBSXJWJVTJY-JKSUJKDBSA-N 1 0 310.482 3.057 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000182281173 323290422 /nfs/dbraw/zinc/29/04/22/323290422.db2.gz HTIVCFUEHDUYNQ-SFHVURJKSA-N 1 0 301.409 3.386 10 0 DGAERO C[C@@H]([NH2+]CCCCCn1cccn1)c1ccc2c(c1)OCO2 ZINC000182289265 323290801 /nfs/dbraw/zinc/29/08/01/323290801.db2.gz BWWKPDFNJPVLGA-CQSZACIVSA-N 1 0 301.390 3.133 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCCO1 ZINC000182349136 323295072 /nfs/dbraw/zinc/29/50/72/323295072.db2.gz MDJHQXUOKVWPPJ-IAGOWNOFSA-N 1 0 303.381 3.059 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000182707865 323309512 /nfs/dbraw/zinc/30/95/12/323309512.db2.gz ALWBCACZDCPIFR-JSGCOSHPSA-N 1 0 320.399 3.346 10 0 DGAERO C[NH+](C)[C@@H]1CCCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000183073489 323323345 /nfs/dbraw/zinc/32/33/45/323323345.db2.gz YOWDFUPJFMZBSP-JXQTWKCFSA-N 1 0 320.399 3.298 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H]2c3ccccc3CCC2(C)C)on1 ZINC000183131725 323326749 /nfs/dbraw/zinc/32/67/49/323326749.db2.gz DMNMXNGICSKMKT-QGZVFWFLSA-N 1 0 313.401 3.225 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+](C)C[C@@H](C)c3nccs3)cnc2n1 ZINC000183250389 323332057 /nfs/dbraw/zinc/33/20/57/323332057.db2.gz FNXOPRTYGYMKQN-LLVKDONJSA-N 1 0 315.446 3.038 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000183343376 323334345 /nfs/dbraw/zinc/33/43/45/323334345.db2.gz CSYARKAUTCEJSL-CABCVRRESA-N 1 0 312.413 3.416 10 0 DGAERO Cc1ccn(-c2ccccc2C[NH2+][C@@H](c2nccn2C)C2CC2)n1 ZINC000183343893 323334523 /nfs/dbraw/zinc/33/45/23/323334523.db2.gz WDUQUCHHWLIIME-GOSISDBHSA-N 1 0 321.428 3.155 10 0 DGAERO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000183354586 323334953 /nfs/dbraw/zinc/33/49/53/323334953.db2.gz GBGHSWPCXUCCGH-BXUZGUMPSA-N 1 0 305.315 3.146 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000183475719 323338898 /nfs/dbraw/zinc/33/88/98/323338898.db2.gz JHNKMGPREDXKSJ-ZDUSSCGKSA-N 1 0 303.454 3.098 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)ccc1F ZINC000183488984 323340055 /nfs/dbraw/zinc/34/00/55/323340055.db2.gz MNEFQZKZZFGKPH-GFCCVEGCSA-N 1 0 319.424 3.468 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)c1 ZINC000183480172 323340060 /nfs/dbraw/zinc/34/00/60/323340060.db2.gz SYJLIUXBCVRKKR-SFHVURJKSA-N 1 0 308.425 3.392 10 0 DGAERO OC[C@H]([NH2+]CCc1ccccc1)c1cccc(Br)c1 ZINC000183898565 323349757 /nfs/dbraw/zinc/34/97/57/323349757.db2.gz JRGOWEOCTPVUQG-INIZCTEOSA-N 1 0 320.230 3.315 10 0 DGAERO Cc1ccnc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000184091970 323355234 /nfs/dbraw/zinc/35/52/34/323355234.db2.gz WAXWZCUDCBOSAQ-UHFFFAOYSA-N 1 0 324.428 3.308 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184264878 323360336 /nfs/dbraw/zinc/36/03/36/323360336.db2.gz HYYVABCHFPFANM-MRXNPFEDSA-N 1 0 316.449 3.444 10 0 DGAERO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCCn1ccnn1)CCCO2 ZINC000184274215 323360991 /nfs/dbraw/zinc/36/09/91/323360991.db2.gz UJJGCHVWKFQFNE-OAHLLOKOSA-N 1 0 320.824 3.134 10 0 DGAERO CC[C@H](NCC(=O)Nc1cccc(C(C)=O)c1)c1nccs1 ZINC000185045720 323379514 /nfs/dbraw/zinc/37/95/14/323379514.db2.gz SFMJFACBYRXGSQ-AWEZNQCLSA-N 1 0 317.414 3.025 10 0 DGAERO CC[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1nccs1 ZINC000185054843 323379525 /nfs/dbraw/zinc/37/95/25/323379525.db2.gz KEERSRQNZJJJBI-ZDUSSCGKSA-N 1 0 320.414 3.382 10 0 DGAERO CC[C@H]([NH2+]CCOc1ccccc1C(=O)OC)c1nccs1 ZINC000185094014 323381772 /nfs/dbraw/zinc/38/17/72/323381772.db2.gz IUYIFRDTOUMIRD-ZDUSSCGKSA-N 1 0 320.414 3.049 10 0 DGAERO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1)c1nccs1 ZINC000185113934 323381793 /nfs/dbraw/zinc/38/17/93/323381793.db2.gz DWASWQOFJQERJN-CQSZACIVSA-N 1 0 319.430 3.221 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000185316429 323387054 /nfs/dbraw/zinc/38/70/54/323387054.db2.gz VXECEIKWLHKEFS-OAHLLOKOSA-N 1 0 306.381 3.320 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)[C@@H](C)C1CCCCC1 ZINC000185520132 323390112 /nfs/dbraw/zinc/39/01/12/323390112.db2.gz ADVNEVVVOCHYAB-HUUCEWRRSA-N 1 0 313.445 3.389 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C1=CCCCCC1 ZINC000185742474 323393595 /nfs/dbraw/zinc/39/35/95/323393595.db2.gz GKVIZFJPPUPUDE-SFHVURJKSA-N 1 0 300.446 3.166 10 0 DGAERO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C/C=C/c1ccccc1 ZINC000185926233 323399088 /nfs/dbraw/zinc/39/90/88/323399088.db2.gz VBHLATUGVXJNOU-BBOMDTFKSA-N 1 0 314.816 3.039 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1ccnc(Oc2ccc(OC)cc2)c1 ZINC000187682610 323418115 /nfs/dbraw/zinc/41/81/15/323418115.db2.gz WJEWJDLVOVJNSC-CQSZACIVSA-N 1 0 316.401 3.255 10 0 DGAERO COC[C@@H](C)C[NH2+]CCc1cc(Br)ccc1F ZINC000187748092 323418556 /nfs/dbraw/zinc/41/85/56/323418556.db2.gz FXODBHAEBZXYHP-JTQLQIEISA-N 1 0 304.203 3.003 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000187767115 323418829 /nfs/dbraw/zinc/41/88/29/323418829.db2.gz ZOHHOJSVLRUKQE-MRXNPFEDSA-N 1 0 323.440 3.457 10 0 DGAERO CCCOc1ccc(C[NH2+][C@@H](COC)C2CCOCC2)cc1 ZINC000187786838 323418924 /nfs/dbraw/zinc/41/89/24/323418924.db2.gz NJMRKQFVESWWSZ-SFHVURJKSA-N 1 0 307.434 3.007 10 0 DGAERO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192573019 323455188 /nfs/dbraw/zinc/45/51/88/323455188.db2.gz PXOCQOZBJQMQEE-OLZOCXBDSA-N 1 0 322.499 3.364 10 0 DGAERO Cn1c2ccc(C[NH2+]CC3(C4CC4)CCC3)cc2sc1=O ZINC000192637180 323456123 /nfs/dbraw/zinc/45/61/23/323456123.db2.gz JQYIOXASPAXZSQ-UHFFFAOYSA-N 1 0 302.443 3.270 10 0 DGAERO CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000193009523 323460452 /nfs/dbraw/zinc/46/04/52/323460452.db2.gz NRQVDAVAVLLIOI-JKSUJKDBSA-N 1 0 314.433 3.027 10 0 DGAERO CC(C)SCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381067769 323612648 /nfs/dbraw/zinc/61/26/48/323612648.db2.gz NTXOHGXJVJIKEW-CQSZACIVSA-N 1 0 316.511 3.365 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000389844651 323663337 /nfs/dbraw/zinc/66/33/37/323663337.db2.gz PYZDJVQDCOZNLH-UFBFGSQYSA-N 1 0 302.205 3.113 10 0 DGAERO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(Cl)sc1Cl ZINC000389882824 323664029 /nfs/dbraw/zinc/66/40/29/323664029.db2.gz KOYPEJGUDNDHCV-QMMMGPOBSA-N 1 0 307.246 3.173 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1C ZINC000584290238 332219080 /nfs/dbraw/zinc/21/90/80/332219080.db2.gz NJUVFYYVBORLOT-IAGOWNOFSA-N 1 0 302.418 3.434 10 0 DGAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C(C)(C)C1 ZINC000584601097 337370796 /nfs/dbraw/zinc/37/07/96/337370796.db2.gz OXQXKJVZYGGXIN-CVEARBPZSA-N 1 0 304.434 3.422 10 0 DGAERO COCCCOc1cc2c(cc1OC)C=N[C@H](C1CCC1)C2 ZINC000584606488 337371712 /nfs/dbraw/zinc/37/17/12/337371712.db2.gz YBXRSEJRJWASHX-INIZCTEOSA-N 1 0 303.402 3.254 10 0 DGAERO c1ccc(-n2nnnc2C[NH2+][C@@H]2CCCC23CCCCC3)cc1 ZINC000313053546 341631920 /nfs/dbraw/zinc/63/19/20/341631920.db2.gz RMDDLUGGHANACU-MRXNPFEDSA-N 1 0 311.433 3.255 10 0 DGAERO CO[C@@H]1C[C@@H]([NH2+]Cc2ccsc2Br)C1(C)C ZINC000388885205 1176983259 /nfs/dbraw/zinc/98/32/59/1176983259.db2.gz KMHNGWNVESMLFX-NXEZZACHSA-N 1 0 304.253 3.414 10 0 DGAERO C[N@H+](CCOCC1CC1)Cc1cc(Cl)cc(Cl)c1N ZINC000388575961 1178073805 /nfs/dbraw/zinc/07/38/05/1178073805.db2.gz IBFJLOVDDSKJSZ-UHFFFAOYSA-N 1 0 303.233 3.434 10 0 DGAERO CCN(CCC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1N ZINC000388627730 1178074882 /nfs/dbraw/zinc/07/48/82/1178074882.db2.gz VAFUAWGNGSQUSS-UHFFFAOYSA-N 1 0 304.265 3.349 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c(F)c2)C1 ZINC000087292379 500591810 /nfs/dbraw/zinc/59/18/10/500591810.db2.gz UINOBEMOQFUESU-ZBFHGGJFSA-N 1 0 321.440 3.321 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000153804998 500929073 /nfs/dbraw/zinc/92/90/73/500929073.db2.gz FRCBNAJUUCRMAS-KVSKMBFKSA-N 1 0 313.445 3.133 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000425366126 533999660 /nfs/dbraw/zinc/99/96/60/533999660.db2.gz ZNFNFSZZHXIIGR-CHWSQXEVSA-N 1 0 316.264 3.312 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000176051892 534001599 /nfs/dbraw/zinc/00/15/99/534001599.db2.gz UTXSAOYVQSKXFV-GOEBONIOSA-N 1 0 316.445 3.173 10 0 DGAERO Cc1cc2cc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2[nH]1 ZINC000176135640 534097232 /nfs/dbraw/zinc/09/72/32/534097232.db2.gz LDDRIBUDQBFGPL-CJNGLKHVSA-N 1 0 314.433 3.423 10 0 DGAERO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328733284 534151214 /nfs/dbraw/zinc/15/12/14/534151214.db2.gz JMYYKCUZKXRRAN-DEDQRHPVSA-N 1 0 319.449 3.270 10 0 DGAERO C[C@@H]([N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1)C1(C)CC1 ZINC000177231576 534284799 /nfs/dbraw/zinc/28/47/99/534284799.db2.gz VXLOUHHBRZCDNS-CJNGLKHVSA-N 1 0 311.853 3.338 10 0 DGAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000328624553 534317719 /nfs/dbraw/zinc/31/77/19/534317719.db2.gz CMWHTTLXLPUDLO-FZMWSMFESA-N 1 0 317.477 3.302 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000158979593 534395553 /nfs/dbraw/zinc/39/55/53/534395553.db2.gz CMNIJKXYFCWRIH-BXUZGUMPSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000155536783 519776437 /nfs/dbraw/zinc/77/64/37/519776437.db2.gz JAGSVHILCJNVRL-AWEZNQCLSA-N 1 0 304.365 3.189 10 0 DGAERO CC(C)c1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccncc2)n1 ZINC000070456268 519833453 /nfs/dbraw/zinc/83/34/53/519833453.db2.gz RAECMFZYFDVRQZ-AWEZNQCLSA-N 1 0 311.433 3.074 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(C)cc(C)cc3C)[C@H]2C1 ZINC000157891003 523728312 /nfs/dbraw/zinc/72/83/12/523728312.db2.gz RQWKQQIKWJPWLS-NZSAHSFTSA-N 1 0 303.446 3.380 10 0 DGAERO COCCOc1cccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)c1 ZINC000189237343 524055240 /nfs/dbraw/zinc/05/52/40/524055240.db2.gz SMWMUXAFCIWYRW-AEFFLSMTSA-N 1 0 321.461 3.253 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000450718129 534788668 /nfs/dbraw/zinc/78/86/68/534788668.db2.gz MWLHWHDSYYBFEF-YWZLYKJASA-N 1 0 311.425 3.137 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000156202371 525302563 /nfs/dbraw/zinc/30/25/63/525302563.db2.gz PFIPGPWKFRWHES-AVGNSLFASA-N 1 0 310.388 3.405 10 0 DGAERO C[C@H]([NH2+]CCCn1ccnn1)c1ccc(OC(C)(C)C)cc1 ZINC000157427644 525346193 /nfs/dbraw/zinc/34/61/93/525346193.db2.gz SNDUWIBRMOGKQM-AWEZNQCLSA-N 1 0 302.422 3.196 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1)c1cccs1 ZINC000193112566 525588362 /nfs/dbraw/zinc/58/83/62/525588362.db2.gz ZGVHIJAMWYNSIE-NEPJUHHUSA-N 1 0 317.414 3.136 10 0 DGAERO CC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451356014 534888346 /nfs/dbraw/zinc/88/83/46/534888346.db2.gz WPWZENFFMAEMJJ-OTWHNJEPSA-N 1 0 301.430 3.405 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000157595739 525902135 /nfs/dbraw/zinc/90/21/35/525902135.db2.gz DVAWSIDJVGHCCS-YQQAZPJKSA-N 1 0 303.450 3.084 10 0 DGAERO Brc1ccc(C[C@@H]2CC[N@@H+]([C@H]3CCOC3)C2)cc1 ZINC000292587033 526643208 /nfs/dbraw/zinc/64/32/08/526643208.db2.gz DVSBAROOUMVLCG-ZFWWWQNUSA-N 1 0 310.235 3.102 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000153677769 527141301 /nfs/dbraw/zinc/14/13/01/527141301.db2.gz MHYIJXVQQGKRPR-MRXNPFEDSA-N 1 0 310.482 3.010 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC(C)(C)CCC[NH3+])cc1Cl ZINC000415444388 527304765 /nfs/dbraw/zinc/30/47/65/527304765.db2.gz ILTQTDOJKOQCAN-UHFFFAOYSA-N 1 0 311.813 3.182 10 0 DGAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000237890876 527407796 /nfs/dbraw/zinc/40/77/96/527407796.db2.gz MRMDJERZWPKPHN-MOPGFXCFSA-N 1 0 324.424 3.009 10 0 DGAERO C(c1nc(C2CCCC2)no1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000154379167 527495344 /nfs/dbraw/zinc/49/53/44/527495344.db2.gz BKLCWKGLBQXHIH-OAHLLOKOSA-N 1 0 318.465 3.035 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000302577295 527617823 /nfs/dbraw/zinc/61/78/23/527617823.db2.gz CZRGMPFCLXCWCV-RYUDHWBXSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)C2CCCC2)C1 ZINC000178897298 527985952 /nfs/dbraw/zinc/98/59/52/527985952.db2.gz SQHWHDDWWCCYLM-JKSUJKDBSA-N 1 0 309.498 3.232 10 0 DGAERO CC(C)c1csc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000174636425 528237669 /nfs/dbraw/zinc/23/76/69/528237669.db2.gz AOAHCQRTMYKBTH-NWDGAFQWSA-N 1 0 310.467 3.213 10 0 DGAERO CCCc1nc(C)c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000428211779 528723928 /nfs/dbraw/zinc/72/39/28/528723928.db2.gz YDABGFBLFJVUPC-INIZCTEOSA-N 1 0 305.466 3.099 10 0 DGAERO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000444663177 529209882 /nfs/dbraw/zinc/20/98/82/529209882.db2.gz KBOMRSBXLWZFSM-DZGCQCFKSA-N 1 0 318.417 3.254 10 0 DGAERO CC[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443617384 529301193 /nfs/dbraw/zinc/30/11/93/529301193.db2.gz WLFPHNQTEOQJNJ-KGLIPLIRSA-N 1 0 301.352 3.483 10 0 DGAERO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)n1 ZINC000451417252 535126759 /nfs/dbraw/zinc/12/67/59/535126759.db2.gz KXTJYNNYMKOZLM-XQLPTFJDSA-N 1 0 307.438 3.099 10 0 DGAERO CCO[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000449490555 535630996 /nfs/dbraw/zinc/63/09/96/535630996.db2.gz CHFQAGXGFINPJA-GUYCJALGSA-N 1 0 300.402 3.187 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Br)c(F)c1 ZINC000449421947 535963069 /nfs/dbraw/zinc/96/30/69/535963069.db2.gz MCHDPXGDUXNHKH-SMDDNHRTSA-N 1 0 316.214 3.181 10 0 DGAERO CC[C@H]1C[N@H+](CC)CCN1CC(=O)c1c(C)[nH]c2ccccc21 ZINC000451731497 536139587 /nfs/dbraw/zinc/13/95/87/536139587.db2.gz RHJBECHXPJGKDM-HNNXBMFYSA-N 1 0 313.445 3.075 10 0 DGAERO COC(=O)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000470942628 536671648 /nfs/dbraw/zinc/67/16/48/536671648.db2.gz CUFDQGLOPSAHNQ-GWCFXTLKSA-N 1 0 301.308 3.246 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2ccc3[nH]c(C)cc3c2)CCOCC1 ZINC000453214173 536708509 /nfs/dbraw/zinc/70/85/09/536708509.db2.gz DTLYERJNXFIYNO-CQSZACIVSA-N 1 0 302.418 3.150 10 0 DGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000225262795 546267051 /nfs/dbraw/zinc/26/70/51/546267051.db2.gz PMEOGXBQZNFOJZ-NEPJUHHUSA-N 1 0 318.642 3.496 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1sccc1Br ZINC000040673147 545676086 /nfs/dbraw/zinc/67/60/86/545676086.db2.gz NHICDTWJPYDDOL-VHSXEESVSA-N 1 0 303.269 3.255 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000079927800 545760854 /nfs/dbraw/zinc/76/08/54/545760854.db2.gz NTDWGCDPULJEEG-GXFFZTMASA-N 1 0 301.217 3.313 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Cl)cc1Cl ZINC000079927398 545761922 /nfs/dbraw/zinc/76/19/22/545761922.db2.gz SRXYYBHRVRZDES-GXFFZTMASA-N 1 0 301.217 3.313 10 0 DGAERO COC[C@@](C)(CCO)[NH2+]CCCc1ccc(C(F)(F)F)cc1 ZINC000085902772 545799414 /nfs/dbraw/zinc/79/94/14/545799414.db2.gz NGKOYVNTHNPMAW-OAHLLOKOSA-N 1 0 319.367 3.015 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1F ZINC000087134291 545802311 /nfs/dbraw/zinc/80/23/11/545802311.db2.gz RGPBPYQSXPBYHA-HIFRSBDPSA-N 1 0 321.440 3.226 10 0 DGAERO O[C@@H](C[NH2+]CCC1CC1)COc1c(Cl)cccc1Cl ZINC000088457414 545808311 /nfs/dbraw/zinc/80/83/11/545808311.db2.gz NOGMPHQGPZUOKY-NSHDSACASA-N 1 0 304.217 3.123 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000089456273 545814641 /nfs/dbraw/zinc/81/46/41/545814641.db2.gz VDFIPYBQXJLWIO-CJNGLKHVSA-N 1 0 306.837 3.206 10 0 DGAERO CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089454802 545815110 /nfs/dbraw/zinc/81/51/10/545815110.db2.gz NZLZJUXMZLGWMK-WCQYABFASA-N 1 0 310.825 3.442 10 0 DGAERO COc1ccc(CC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000120910898 545890905 /nfs/dbraw/zinc/89/09/05/545890905.db2.gz GLHIBCGMJGBRFE-RTBURBONSA-N 1 0 303.446 3.253 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ncc(Br)s1 ZINC000126426371 545921201 /nfs/dbraw/zinc/92/12/01/545921201.db2.gz FWTQXTFQHNUFOT-DTWKUNHWSA-N 1 0 305.241 3.125 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2nccs2)cc1F ZINC000126689570 545924094 /nfs/dbraw/zinc/92/40/94/545924094.db2.gz LIJULVMDSFYVSI-QWRGUYRKSA-N 1 0 307.394 3.268 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2nccs2)cc1F ZINC000126690031 545924235 /nfs/dbraw/zinc/92/42/35/545924235.db2.gz LIJULVMDSFYVSI-WDEREUQCSA-N 1 0 307.394 3.268 10 0 DGAERO COc1cc(C[NH2+][C@H](C)C2CCC2)cc(Br)c1O ZINC000130546718 545951249 /nfs/dbraw/zinc/95/12/49/545951249.db2.gz YEFYPHHRHRFYEA-SECBINFHSA-N 1 0 314.223 3.442 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3s2)C1 ZINC000131689453 545960137 /nfs/dbraw/zinc/96/01/37/545960137.db2.gz ZTZFJLMYAXENBF-ZFWWWQNUSA-N 1 0 304.459 3.273 10 0 DGAERO C[C@@H](NC(=O)NCC[NH+](C)C)c1c(Cl)ccc(F)c1Cl ZINC000133492566 545968610 /nfs/dbraw/zinc/96/86/10/545968610.db2.gz PINWRJKXVPINPX-MRVPVSSYSA-N 1 0 322.211 3.054 10 0 DGAERO Cc1nc(-c2cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c2)cs1 ZINC000136344147 545981491 /nfs/dbraw/zinc/98/14/91/545981491.db2.gz XOFBYSPEFNRDAU-CQSZACIVSA-N 1 0 303.431 3.430 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000136350074 545981888 /nfs/dbraw/zinc/98/18/88/545981888.db2.gz QDUQRGWCNWAXRK-STQMWFEESA-N 1 0 312.866 3.367 10 0 DGAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000149750329 545987985 /nfs/dbraw/zinc/98/79/85/545987985.db2.gz HOTVWSQMSAUAIY-RYUDHWBXSA-N 1 0 318.642 3.496 10 0 DGAERO CCN(CC)[C@H](C[NH2+][C@@H]1CCCOC1)c1ccccc1Cl ZINC000153614270 546010484 /nfs/dbraw/zinc/01/04/84/546010484.db2.gz XCCIVTKQVNKDEG-RHSMWYFYSA-N 1 0 310.869 3.492 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000154313924 546016513 /nfs/dbraw/zinc/01/65/13/546016513.db2.gz RCSLNUQZJHIYLX-CQSZACIVSA-N 1 0 324.428 3.072 10 0 DGAERO Fc1cccc(C[NH2+]CC[C@H]2CCCO2)c1Br ZINC000156711543 546036088 /nfs/dbraw/zinc/03/60/88/546036088.db2.gz LQLXIXMBHGFDPA-LLVKDONJSA-N 1 0 302.187 3.247 10 0 DGAERO OCC1([NH2+]Cc2ccc(Br)c(F)c2)CCCCC1 ZINC000161309627 546066920 /nfs/dbraw/zinc/06/69/20/546066920.db2.gz QVDUVWWSHFKYBE-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO CCCc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n[nH]1 ZINC000174946347 546108315 /nfs/dbraw/zinc/10/83/15/546108315.db2.gz IOVSFHUMJKVFNJ-UHFFFAOYSA-N 1 0 312.417 3.210 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)COCc1ccccc1 ZINC000178064800 546126200 /nfs/dbraw/zinc/12/62/00/546126200.db2.gz UJTOMMUPHVROAV-XLIONFOSSA-N 1 0 313.441 3.439 10 0 DGAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000179789218 546138434 /nfs/dbraw/zinc/13/84/34/546138434.db2.gz YZDCLLACQLRDJA-KRWDZBQOSA-N 1 0 301.409 3.329 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3c[nH]nc3C)C2)c1 ZINC000180565979 546146258 /nfs/dbraw/zinc/14/62/58/546146258.db2.gz WWMZKISPDUXQLM-HIFRSBDPSA-N 1 0 314.433 3.046 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]CC(=O)N(C)CC2CC2)cc1 ZINC000181391703 546156418 /nfs/dbraw/zinc/15/64/18/546156418.db2.gz SRVLRCKBIPWCLI-HNNXBMFYSA-N 1 0 318.461 3.240 10 0 DGAERO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000181400178 546156757 /nfs/dbraw/zinc/15/67/57/546156757.db2.gz GKMBRYRVECGHAQ-GJZGRUSLSA-N 1 0 306.450 3.287 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc2cc(Cl)ccc2o1 ZINC000181438500 546157340 /nfs/dbraw/zinc/15/73/40/546157340.db2.gz SUZYHLCXTLQCFZ-QWHCGFSZSA-N 1 0 322.836 3.458 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1)CS(C)(=O)=O ZINC000181504052 546157645 /nfs/dbraw/zinc/15/76/45/546157645.db2.gz GVEGDJULDGIDFR-KGLIPLIRSA-N 1 0 305.443 3.171 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000182561399 546165801 /nfs/dbraw/zinc/16/58/01/546165801.db2.gz OMXGDAKSJPGOJH-QWRGUYRKSA-N 1 0 320.380 3.200 10 0 DGAERO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183134429 546171467 /nfs/dbraw/zinc/17/14/67/546171467.db2.gz OPSJCCKNPCQYBH-KEYYUXOJSA-N 1 0 318.461 3.296 10 0 DGAERO CC(C)c1ccc([C@@H](C)NC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000185235412 546186500 /nfs/dbraw/zinc/18/65/00/546186500.db2.gz YGQZVGREKYHRHF-OAHLLOKOSA-N 1 0 305.466 3.464 10 0 DGAERO C[C@@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccs1 ZINC000185871998 546190188 /nfs/dbraw/zinc/19/01/88/546190188.db2.gz KXVBNTYMGVBIMH-MFKMUULPSA-N 1 0 308.834 3.149 10 0 DGAERO FC(F)(F)c1ccc(C2(C[NH2+]Cc3cncnc3)CC2)cc1 ZINC000186507286 546195179 /nfs/dbraw/zinc/19/51/79/546195179.db2.gz CCAIKFJJEIOHIR-UHFFFAOYSA-N 1 0 307.319 3.317 10 0 DGAERO COc1cc(Br)ccc1C[NH2+][C@H](C)c1c[nH]nc1C ZINC000187575695 546201015 /nfs/dbraw/zinc/20/10/15/546201015.db2.gz VNJDWGNJVNQURD-SECBINFHSA-N 1 0 324.222 3.340 10 0 DGAERO Cc1c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)ccn1C ZINC000192600906 546234268 /nfs/dbraw/zinc/23/42/68/546234268.db2.gz BPXHCTHCYXEVMN-UHFFFAOYSA-N 1 0 305.466 3.108 10 0 DGAERO CN1CCC[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000227817610 546268549 /nfs/dbraw/zinc/26/85/49/546268549.db2.gz RZLXLGOXAKAZCW-QMMMGPOBSA-N 1 0 323.687 3.348 10 0 DGAERO OC1CCC(C[NH2+]Cc2cc(Br)cs2)CC1 ZINC000227646589 546269001 /nfs/dbraw/zinc/26/90/01/546269001.db2.gz QFLWIRXJFKTGBB-UHFFFAOYSA-N 1 0 304.253 3.151 10 0 DGAERO C([NH2+][C@@H]1CCOC2(CCSCC2)C1)C1CCSCC1 ZINC000229260833 546271995 /nfs/dbraw/zinc/27/19/95/546271995.db2.gz YYBDDSCITQIWTI-CQSZACIVSA-N 1 0 301.521 3.164 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000245400492 546296572 /nfs/dbraw/zinc/29/65/72/546296572.db2.gz YCJGNCAJPMSNIR-JQHSSLGASA-N 1 0 318.461 3.001 10 0 DGAERO CO[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(F)cc1 ZINC000245938643 546300827 /nfs/dbraw/zinc/30/08/27/546300827.db2.gz UKKAZUCXGZVSQT-TVFCKZIOSA-N 1 0 319.420 3.451 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc3ccccc3nc2C)[C@@H](C)C1 ZINC000246448338 546304356 /nfs/dbraw/zinc/30/43/56/546304356.db2.gz FBXLKSQHCBMPTF-LIRRHRJNSA-N 1 0 312.461 3.100 10 0 DGAERO Cc1nc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)sc1C ZINC000248857149 546321690 /nfs/dbraw/zinc/32/16/90/546321690.db2.gz OTWNVDJKNWOYQN-MNOVXSKESA-N 1 0 310.467 3.002 10 0 DGAERO CC[C@@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251574001 546329783 /nfs/dbraw/zinc/32/97/83/546329783.db2.gz BZKUBSFLLSUNSU-BXUZGUMPSA-N 1 0 317.260 3.431 10 0 DGAERO Clc1ccccc1OCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414097 546330850 /nfs/dbraw/zinc/33/08/50/546330850.db2.gz GSKSYABLVQQYGR-GDBMZVCRSA-N 1 0 308.853 3.183 10 0 DGAERO COc1ccccc1/C=C\CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255491199 546335957 /nfs/dbraw/zinc/33/59/57/546335957.db2.gz VBFPZOUVRNHQTN-BQLWYNFJSA-N 1 0 300.446 3.126 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000261688360 546337808 /nfs/dbraw/zinc/33/78/08/546337808.db2.gz HLLIALXKFLNCOQ-CZUORRHYSA-N 1 0 320.864 3.253 10 0 DGAERO C[C@@H]1CCN(C(=O)c2cccc(-c3cscn3)c2)[C@H](C[NH3+])C1 ZINC000261795581 546338390 /nfs/dbraw/zinc/33/83/90/546338390.db2.gz MHBSNOCEOYJWDS-DOMZBBRYSA-N 1 0 315.442 3.010 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000261706605 546338488 /nfs/dbraw/zinc/33/84/88/546338488.db2.gz IVSRGHGQCSAEBB-RHSMWYFYSA-N 1 0 318.436 3.129 10 0 DGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CSC1 ZINC000309926636 546452012 /nfs/dbraw/zinc/45/20/12/546452012.db2.gz VNJHEOBZHPSCJW-MRVPVSSYSA-N 1 0 302.237 3.224 10 0 DGAERO c1oc(-c2ccccc2)nc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321966152 546472498 /nfs/dbraw/zinc/47/24/98/546472498.db2.gz JPOSFULDIXWAED-FUHWJXTLSA-N 1 0 311.429 3.306 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000324289244 546478157 /nfs/dbraw/zinc/47/81/57/546478157.db2.gz RKQIPSFXSIAXRA-SMDDNHRTSA-N 1 0 314.267 3.377 10 0 DGAERO Cc1[nH+]ccc(N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1Cl ZINC000334030448 546515620 /nfs/dbraw/zinc/51/56/20/546515620.db2.gz KMDQVZALUYIQEX-GXTWGEPZSA-N 1 0 324.833 3.212 10 0 DGAERO C[C@@H]1C[C@H](C[NH2+]Cc2ccsc2Br)CCO1 ZINC000390428043 546754756 /nfs/dbraw/zinc/75/47/56/546754756.db2.gz NMWZXWWGOSIHFV-NXEZZACHSA-N 1 0 304.253 3.415 10 0 DGAERO O=C(NCC[NH2+][C@H](Cc1ccccc1)C1CCCCC1)C1CC1 ZINC000536835069 546992075 /nfs/dbraw/zinc/99/20/75/546992075.db2.gz WXCVMWFMMCRFDG-LJQANCHMSA-N 1 0 314.473 3.294 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1F ZINC000675055500 548148402 /nfs/dbraw/zinc/14/84/02/548148402.db2.gz UIMLFWCCNBZNGE-ZFWWWQNUSA-N 1 0 308.397 3.452 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000675055580 548148898 /nfs/dbraw/zinc/14/88/98/548148898.db2.gz VEWUHQISQSJIGL-ZFWWWQNUSA-N 1 0 306.406 3.013 10 0 DGAERO [NH3+]Cc1c(-c2ccccc2Br)nc2ccc(F)cn21 ZINC000675076477 548149565 /nfs/dbraw/zinc/14/95/65/548149565.db2.gz XOZQCHBWGBYQSK-UHFFFAOYSA-N 1 0 320.165 3.362 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([C@]2(C)[NH2+]CCc3ccsc32)C1 ZINC000712515571 563320013 /nfs/dbraw/zinc/32/00/13/563320013.db2.gz NOHISLPIJGMNJN-GUYCJALGSA-N 1 0 322.474 3.366 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000724109103 563496592 /nfs/dbraw/zinc/49/65/92/563496592.db2.gz FCMPWKVAQVMSMH-SJKOYZFVSA-N 1 0 322.474 3.414 10 0 DGAERO CCCCCCOCC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000730774301 574535787 /nfs/dbraw/zinc/53/57/87/574535787.db2.gz ZSBWRMGPAPORGX-KSZLIROESA-N 1 0 324.509 3.447 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2cc(F)cc(F)c2)C1 ZINC000675052576 563780502 /nfs/dbraw/zinc/78/05/02/563780502.db2.gz BQPDTVPWZRTTAF-KBPBESRZSA-N 1 0 312.360 3.283 10 0 DGAERO C[C@]12CC[C@@H]3c4ccc(OCC[NH3+])cc4CC[C@@H]3[C@H]1CCC2=O ZINC000238850679 563879435 /nfs/dbraw/zinc/87/94/35/563879435.db2.gz CMRRRUCMFIWSCT-RMJJICAUSA-N 1 0 313.441 3.449 10 0 DGAERO C/C(=C\C(=O)N[C@H](C)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732058125 574565863 /nfs/dbraw/zinc/56/58/63/574565863.db2.gz WFIKHFVKGZCOJF-ATGUSINASA-N 1 0 304.409 3.220 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1c2ccccc2n(C)c1=O ZINC000734476543 574663981 /nfs/dbraw/zinc/66/39/81/574663981.db2.gz GMTIKMSDZIOASK-WBVHZDCISA-N 1 0 321.424 3.176 10 0 DGAERO CCCOC(=O)[C@@H](C)[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000741785584 574970901 /nfs/dbraw/zinc/97/09/01/574970901.db2.gz SJDFDOLNCRUKPK-HUUCEWRRSA-N 1 0 307.434 3.290 10 0 DGAERO C/C(=C/C(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000742309656 574989859 /nfs/dbraw/zinc/98/98/59/574989859.db2.gz HJRHVOWZUNOVNL-SEWDUPMJSA-N 1 0 304.409 3.220 10 0 DGAERO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=S)NCC[NH+](C)C)o1 ZINC000743040459 575032347 /nfs/dbraw/zinc/03/23/47/575032347.db2.gz YDGKEAWCNFSFQQ-HIFRSBDPSA-N 1 0 323.506 3.051 10 0 DGAERO Cc1cc(C(=O)NCCCCCCC[NH+]2CCCC2)c(C)[nH]1 ZINC000729342100 575237124 /nfs/dbraw/zinc/23/71/24/575237124.db2.gz XNIKBDKBHKNKDF-UHFFFAOYSA-N 1 0 305.466 3.408 10 0 DGAERO COc1ccc(C[NH2+]CC[C@H]2CCCO2)c(Br)c1 ZINC000310684976 575934166 /nfs/dbraw/zinc/93/41/66/575934166.db2.gz OIEQIZLPDZXYER-GFCCVEGCSA-N 1 0 314.223 3.116 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)C(C)(C)O ZINC000393960484 575935927 /nfs/dbraw/zinc/93/59/27/575935927.db2.gz QOVMCFYCWYRLJV-SNVBAGLBSA-N 1 0 323.234 3.246 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)C(C)(C)O ZINC000393971827 575936123 /nfs/dbraw/zinc/93/61/23/575936123.db2.gz OJHHITHTRUMBOT-DTWKUNHWSA-N 1 0 304.203 3.398 10 0 DGAERO CCC[NH+](CCC)CCCNC(=S)NCc1ccccc1 ZINC000727977738 576156934 /nfs/dbraw/zinc/15/69/34/576156934.db2.gz FGTOFUQKGKCSRU-UHFFFAOYSA-N 1 0 307.507 3.163 10 0 DGAERO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](C)CC2)C1 ZINC000728199076 576169051 /nfs/dbraw/zinc/16/90/51/576169051.db2.gz RZEZTNAYLYWXFP-WBVHZDCISA-N 1 0 300.446 3.390 10 0 DGAERO O=C(Nc1ccc(F)c(F)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033128980 620650575 /nfs/dbraw/zinc/65/05/75/620650575.db2.gz MICLUPDUOCCHIB-UHFFFAOYSA-N 1 0 317.339 3.215 10 0 DGAERO C[C@@H](N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1)C(F)(F)F ZINC000757132613 617643179 /nfs/dbraw/zinc/64/31/79/617643179.db2.gz CWSBHMUCRYZKIJ-SECBINFHSA-N 1 0 319.327 3.233 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000151648123 620468072 /nfs/dbraw/zinc/46/80/72/620468072.db2.gz YRCLCVDWYNDUJL-ZDUSSCGKSA-N 1 0 316.426 3.213 10 0 DGAERO Cc1ocnc1C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989648 621071238 /nfs/dbraw/zinc/07/12/38/621071238.db2.gz PHXTVGZJEUZTAA-INIZCTEOSA-N 1 0 314.385 3.052 10 0 DGAERO O=C(CC[C@@H]1CCCCO1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117101625 621351350 /nfs/dbraw/zinc/35/13/50/621351350.db2.gz RJCBEBPGMXXHEV-ROUUACIJSA-N 1 0 317.429 3.153 10 0 DGAERO CCCCO[C@@H](C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117100444 621351757 /nfs/dbraw/zinc/35/17/57/621351757.db2.gz SVWYCHYTEIFFQP-RDJZCZTQSA-N 1 0 305.418 3.009 10 0 DGAERO COc1ccsc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117101957 621351843 /nfs/dbraw/zinc/35/18/43/621351843.db2.gz PNFPBRZCBXORCE-AWEZNQCLSA-N 1 0 317.410 3.188 10 0 DGAERO C[C@@H]1CCC[N@H+](CCNC(=O)/C=C/c2ccnc3ccccc23)C1 ZINC000117756521 621445287 /nfs/dbraw/zinc/44/52/87/621445287.db2.gz IXBONCDLAJLMSS-ROJDOSBLSA-N 1 0 323.440 3.096 10 0 DGAERO C[C@H]1CC[C@@H](C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000123232125 622488744 /nfs/dbraw/zinc/48/87/44/622488744.db2.gz JTMWILIVOPSUTL-YJBOKZPZSA-N 1 0 317.429 3.009 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000129933037 625799700 /nfs/dbraw/zinc/79/97/00/625799700.db2.gz QYXUWNGFRMMZJL-KRWDZBQOSA-N 1 0 318.461 3.466 10 0 DGAERO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000130383754 625844876 /nfs/dbraw/zinc/84/48/76/625844876.db2.gz JUSUVNRUAHYNDJ-PRWKNARSSA-N 1 0 310.850 3.087 10 0 DGAERO c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CCCSC3)C2)c1 ZINC000131314191 626623484 /nfs/dbraw/zinc/62/34/84/626623484.db2.gz AAEOGANRTFYMCE-HUUCEWRRSA-N 1 0 310.532 3.445 10 0 DGAERO CC1(C)SC(=O)N(CN2CCC[C@]3(CC=CCC3)C2)C1=O ZINC000132618692 626729906 /nfs/dbraw/zinc/72/99/06/626729906.db2.gz NXXHQOIXXRKYLB-MRXNPFEDSA-N 1 0 308.447 3.240 10 0 DGAERO Cc1cc(C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])ccc1Cl ZINC000757144101 626751563 /nfs/dbraw/zinc/75/15/63/626751563.db2.gz HTSLSZZERWKWIO-ZFWWWQNUSA-N 1 0 324.852 3.385 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000134408378 626876689 /nfs/dbraw/zinc/87/66/89/626876689.db2.gz WMRDHMRPIKBTKF-INIZCTEOSA-N 1 0 306.450 3.087 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000220932973 627212257 /nfs/dbraw/zinc/21/22/57/627212257.db2.gz OLAWFRFIBNIAJZ-ZIAGYGMSSA-N 1 0 323.437 3.281 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(F)F ZINC000300218748 627261567 /nfs/dbraw/zinc/26/15/67/627261567.db2.gz WNKWJRHHHGOPRV-SRVKXCTJSA-N 1 0 306.397 3.265 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccoc2)C(C)(C)C1 ZINC000300823678 627281638 /nfs/dbraw/zinc/28/16/38/627281638.db2.gz JDIMRBPPGKGWOK-AWEZNQCLSA-N 1 0 308.422 3.405 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccoc2)C(C)(C)C1 ZINC000300823684 627281894 /nfs/dbraw/zinc/28/18/94/627281894.db2.gz JDIMRBPPGKGWOK-CQSZACIVSA-N 1 0 308.422 3.405 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000300980704 627285975 /nfs/dbraw/zinc/28/59/75/627285975.db2.gz KKZAFHKJRFCPCZ-RDBSUJKOSA-N 1 0 314.470 3.178 10 0 DGAERO CCCc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000104981750 630600988 /nfs/dbraw/zinc/60/09/88/630600988.db2.gz RUQVVWBMZAETAZ-KRWDZBQOSA-N 1 0 301.434 3.341 10 0 DGAERO CCC[N@H+](C[C@H](O)c1ccc(F)cc1F)C[C@H]1CCCCO1 ZINC000106866323 631476528 /nfs/dbraw/zinc/47/65/28/631476528.db2.gz TYOYKPOMYJVLML-PBHICJAKSA-N 1 0 313.388 3.279 10 0 DGAERO O=C(OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)C1CC1 ZINC000110120712 632469184 /nfs/dbraw/zinc/46/91/84/632469184.db2.gz CFFAFSOZLAEHEX-GFCCVEGCSA-N 1 0 309.356 3.130 10 0 DGAERO C[C@@H](CC[S@@](C)=O)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722144678 658270611 /nfs/dbraw/zinc/27/06/11/658270611.db2.gz CFGQYNFTQWGSLW-XTZNXHDOSA-N 1 0 308.274 3.283 10 0 DGAERO Cc1cccnc1/C=C/C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000185280769 660212965 /nfs/dbraw/zinc/21/29/65/660212965.db2.gz NMOMGTZYJYTACI-BBVFFXRHSA-N 1 0 322.408 3.221 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](C2OCCO2)C1 ZINC000185292262 660214490 /nfs/dbraw/zinc/21/44/90/660214490.db2.gz OOVILTYLQFPHHQ-HNNXBMFYSA-N 1 0 312.413 3.441 10 0 DGAERO CCc1ccc2c(C[N@H+](C)[C@@H](CO)CC(C)C)cc(=O)oc2c1 ZINC000185334019 660216558 /nfs/dbraw/zinc/21/65/58/660216558.db2.gz IAUZLOIARLFTDV-MRXNPFEDSA-N 1 0 317.429 3.194 10 0 DGAERO COC(C)(C)CC[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000230416243 659329482 /nfs/dbraw/zinc/32/94/82/659329482.db2.gz LNNFZMBPFBYMHF-KRWDZBQOSA-N 1 0 316.486 3.331 10 0 DGAERO CC[C@@H]([NH2+]CCCN1CCOC1=O)c1cccc(Cl)c1F ZINC000185980026 660257743 /nfs/dbraw/zinc/25/77/43/660257743.db2.gz JCJJNHPCHRRQAY-CYBMUJFWSA-N 1 0 314.788 3.362 10 0 DGAERO CN1C[C@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)CCC1=O ZINC000084061450 660332042 /nfs/dbraw/zinc/33/20/42/660332042.db2.gz NUTBTRLNFQRAAM-LLVKDONJSA-N 1 0 318.364 3.009 10 0 DGAERO CC(C)c1ccc(CN(CN2CCOC2=S)C2CC2)cc1 ZINC000073448029 660349331 /nfs/dbraw/zinc/34/93/31/660349331.db2.gz VXNLEUPIMFFVNK-UHFFFAOYSA-N 1 0 304.459 3.349 10 0 DGAERO CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000186462901 660444947 /nfs/dbraw/zinc/44/49/47/660444947.db2.gz URHFONWAAKMSCR-GOEBONIOSA-N 1 0 318.417 3.029 10 0 DGAERO C[N@H+](CCOCC1CC1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091677494 660450117 /nfs/dbraw/zinc/45/01/17/660450117.db2.gz VIIQGIFTRAHTJH-INIZCTEOSA-N 1 0 322.836 3.191 10 0 DGAERO C/C=C\CC(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000229850417 660611177 /nfs/dbraw/zinc/61/11/77/660611177.db2.gz PCGOKOOUIDOXSA-DDKKJVIOSA-N 1 0 312.457 3.433 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)OC(C)(C)C ZINC000700733219 660634343 /nfs/dbraw/zinc/63/43/43/660634343.db2.gz WXCYUGXCBFTEAG-DOMZBBRYSA-N 1 0 308.397 3.313 10 0 DGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000700748802 660634771 /nfs/dbraw/zinc/63/47/71/660634771.db2.gz GCXNUEFFAXDTCD-BXUZGUMPSA-N 1 0 314.882 3.310 10 0 DGAERO C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000700749349 660634858 /nfs/dbraw/zinc/63/48/58/660634858.db2.gz LRDDIANCDVJLBO-MDZLAQPJSA-N 1 0 312.866 3.077 10 0 DGAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000700990554 660647276 /nfs/dbraw/zinc/64/72/76/660647276.db2.gz STVPXXAUQPUING-QWRGUYRKSA-N 1 0 320.177 3.384 10 0 DGAERO O=C(/C=C\c1ccc(Cl)s1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000701171265 660659222 /nfs/dbraw/zinc/65/92/22/660659222.db2.gz CTAYHHGSJSZTMT-RNZFLTOJSA-N 1 0 310.850 3.206 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)C2 ZINC000701919187 660691590 /nfs/dbraw/zinc/69/15/90/660691590.db2.gz IZNBLPZMGDRTIB-IVXJQHRYSA-N 1 0 306.450 3.164 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@@H]1CCC[C@H]3C[C@H]31)C2 ZINC000701923835 660695434 /nfs/dbraw/zinc/69/54/34/660695434.db2.gz IZNBLPZMGDRTIB-YUGHPYOKSA-N 1 0 306.450 3.164 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000701934613 660692309 /nfs/dbraw/zinc/69/23/09/660692309.db2.gz HXJCBGIJWXZPQC-NWDGAFQWSA-N 1 0 304.381 3.021 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C[C@H]1CC=CCC1)C2 ZINC000701921913 660695483 /nfs/dbraw/zinc/69/54/83/660695483.db2.gz BASKBBACAKXHTQ-SYJJWHGVSA-N 1 0 306.450 3.332 10 0 DGAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@H]1CC1(F)F ZINC000701936524 660692814 /nfs/dbraw/zinc/69/28/14/660692814.db2.gz SQFFYVVZKUXWTD-STQMWFEESA-N 1 0 320.424 3.418 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000701934631 660692988 /nfs/dbraw/zinc/69/29/88/660692988.db2.gz IIYBNSBITOKBRL-QWHCGFSZSA-N 1 0 318.408 3.268 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000701955258 660693415 /nfs/dbraw/zinc/69/34/15/660693415.db2.gz LWEAQVIJFXSVJR-RWMBFGLXSA-N 1 0 318.408 3.267 10 0 DGAERO C[C@H]([NH2+]CC1(O)CCSCC1)c1nc2ccccc2s1 ZINC000702271770 660718527 /nfs/dbraw/zinc/71/85/27/660718527.db2.gz BUSGTYWMVQXUML-NSHDSACASA-N 1 0 308.472 3.205 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@H]2CSC[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000704625684 660814014 /nfs/dbraw/zinc/81/40/14/660814014.db2.gz ZCBSZIVJLVFYDE-XDQVBPFNSA-N 1 0 314.495 3.116 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCSC1 ZINC000704893400 660825641 /nfs/dbraw/zinc/82/56/41/660825641.db2.gz YOFDIYSQRQDXIP-UONOGXRCSA-N 1 0 314.495 3.119 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000706513981 660861834 /nfs/dbraw/zinc/86/18/34/660861834.db2.gz VTSLCYYPWIZLST-FRRDWIJNSA-N 1 0 318.408 3.267 10 0 DGAERO CSC1CC([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000706865297 660875473 /nfs/dbraw/zinc/87/54/73/660875473.db2.gz JSMRTCJINVEQMY-UHFFFAOYSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)C1(C)CC1 ZINC000706916385 660877498 /nfs/dbraw/zinc/87/74/98/660877498.db2.gz QACQXZGUWFAVTP-SECBINFHSA-N 1 0 312.207 3.456 10 0 DGAERO Cc1ccoc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707903679 660915137 /nfs/dbraw/zinc/91/51/37/660915137.db2.gz YTVCNUWVPIBRAZ-KKUMJFAQSA-N 1 0 320.433 3.466 10 0 DGAERO CN(CCC[NH2+][C@H]1CCCSCC1)C(=O)OC(C)(C)C ZINC000709560447 660929311 /nfs/dbraw/zinc/92/93/11/660929311.db2.gz HJWPKTDRFSLSMZ-ZDUSSCGKSA-N 1 0 302.484 3.119 10 0 DGAERO C[C@H](C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000709614330 660930173 /nfs/dbraw/zinc/93/01/73/660930173.db2.gz YPOVDIJMJVFBCQ-HUUCEWRRSA-N 1 0 319.449 3.174 10 0 DGAERO C[NH+](C)C1(C)CCN(Cc2ccc(Cl)nc2Cl)CC1 ZINC000709887856 660930947 /nfs/dbraw/zinc/93/09/47/660930947.db2.gz ONAWIICYOFJQGC-UHFFFAOYSA-N 1 0 302.249 3.305 10 0 DGAERO Cc1nn(C)c(C[NH2+][C@H]2CCCC3(CC3)C2)c1Br ZINC000709989894 660931562 /nfs/dbraw/zinc/93/15/62/660931562.db2.gz ODAFYCDXEOPMJZ-NSHDSACASA-N 1 0 312.255 3.303 10 0 DGAERO O=C(N1C[C@@H]([NH2+]C2CCCC2)Cc2ccccc21)C(F)(F)F ZINC000710038494 660932217 /nfs/dbraw/zinc/93/22/17/660932217.db2.gz ZWMFLQLYBIGPLO-ZDUSSCGKSA-N 1 0 312.335 3.039 10 0 DGAERO COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000710456334 660932741 /nfs/dbraw/zinc/93/27/41/660932741.db2.gz DOVVYDCMSCLXRF-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1cc(F)ccc1CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710842678 660935888 /nfs/dbraw/zinc/93/58/88/660935888.db2.gz FHJRYTOOBSSZBO-UHFFFAOYSA-N 1 0 322.424 3.133 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000710885989 660936604 /nfs/dbraw/zinc/93/66/04/660936604.db2.gz WGAUETIPKJYVAB-LBPRGKRZSA-N 1 0 304.381 3.021 10 0 DGAERO CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000711000714 660939367 /nfs/dbraw/zinc/93/93/67/660939367.db2.gz PFTMGIGTBOCFJC-ONERCXAPSA-N 1 0 310.235 3.451 10 0 DGAERO C[C@H]([NH2+]Cc1nn(C)cc1Br)[C@]12C[C@H]1CCCC2 ZINC000709245854 660927527 /nfs/dbraw/zinc/92/75/27/660927527.db2.gz MAYXEEFWULBORU-WDMOLILDSA-N 1 0 312.255 3.241 10 0 DGAERO C[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CS1 ZINC000711477087 660954071 /nfs/dbraw/zinc/95/40/71/660954071.db2.gz CWHFXFHGVAEJLY-IGQOVBAYSA-N 1 0 314.495 3.163 10 0 DGAERO Cc1cccc(CC[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000711395057 660949374 /nfs/dbraw/zinc/94/93/74/660949374.db2.gz ZNGKWXQQSQXHFI-CALCHBBNSA-N 1 0 318.461 3.430 10 0 DGAERO CCSC1(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000711405024 660950471 /nfs/dbraw/zinc/95/04/71/660950471.db2.gz JODJAJYDMLUZDJ-BETUJISGSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000711448482 660953266 /nfs/dbraw/zinc/95/32/66/660953266.db2.gz RNSDTQYOKONQTA-DNOWBOINSA-N 1 0 305.422 3.036 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@]23C[C@@H]2CCCC3)C1 ZINC000711477081 660953977 /nfs/dbraw/zinc/95/39/77/660953977.db2.gz CTXOKXIRNOMJGS-OIPACUDHSA-N 1 0 308.466 3.460 10 0 DGAERO Brc1ccoc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711485256 660955091 /nfs/dbraw/zinc/95/50/91/660955091.db2.gz ZAGHEWSROONVDJ-SNVBAGLBSA-N 1 0 300.196 3.233 10 0 DGAERO CCC(CC)(C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)OC ZINC000711505639 660955485 /nfs/dbraw/zinc/95/54/85/660955485.db2.gz MRNGHKGDJLBTKT-UHFFFAOYSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@H]2CCCSCC2)C1 ZINC000711505721 660955495 /nfs/dbraw/zinc/95/54/95/660955495.db2.gz NOAZWESJWVNYRS-MOKVOYLWSA-N 1 0 314.495 3.165 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3ccns3)CCC[C@H]12 ZINC000711585799 660958573 /nfs/dbraw/zinc/95/85/73/660958573.db2.gz SVFOPTRPYJGLDT-XJKSGUPXSA-N 1 0 323.462 3.165 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3ccoc3)CCC[C@@H]12 ZINC000711628274 660959998 /nfs/dbraw/zinc/95/99/98/660959998.db2.gz XCCMMYIYLOYTDE-PBHICJAKSA-N 1 0 306.406 3.301 10 0 DGAERO C[C@H](NCc1nccn1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711747253 660962232 /nfs/dbraw/zinc/96/22/32/660962232.db2.gz RNRDYWCUZQZEMJ-WMZOPIPTSA-N 1 0 324.472 3.218 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000722656607 655561581 /nfs/dbraw/zinc/56/15/81/655561581.db2.gz XMQWHOZTBQJFFX-PSASIEDQSA-N 1 0 312.200 3.441 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2cccc(F)c2)[C@H]1c1ccccc1 ZINC000255106454 655599024 /nfs/dbraw/zinc/59/90/24/655599024.db2.gz VONUDWHDKLAVBS-SFWXYKJNSA-N 1 0 324.399 3.401 10 0 DGAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000050373507 655656258 /nfs/dbraw/zinc/65/62/58/655656258.db2.gz JDOMORNZJAGBFH-OLZOCXBDSA-N 1 0 302.187 3.245 10 0 DGAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000050373505 655656295 /nfs/dbraw/zinc/65/62/95/655656295.db2.gz JDOMORNZJAGBFH-STQMWFEESA-N 1 0 302.187 3.245 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000237846138 655658144 /nfs/dbraw/zinc/65/81/44/655658144.db2.gz QSZIVGYZDYAOFG-MWLCHTKSSA-N 1 0 308.834 3.412 10 0 DGAERO COc1ccc(OC)c([C@H](C)N[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000261847919 655676288 /nfs/dbraw/zinc/67/62/88/655676288.db2.gz JGAVDKYMFOLYOU-JBBXEZCESA-N 1 0 312.413 3.499 10 0 DGAERO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000096792492 655697474 /nfs/dbraw/zinc/69/74/74/655697474.db2.gz RSLDKZWZQTUDST-LYDJUCFBSA-N 1 0 312.457 3.424 10 0 DGAERO COc1ccc(/C=C\CN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000096856706 655700449 /nfs/dbraw/zinc/70/04/49/655700449.db2.gz DQUIASMJFKPDSY-SIEMBAAWSA-N 1 0 300.446 3.126 10 0 DGAERO CC[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(Cl)c1 ZINC000723847501 655724220 /nfs/dbraw/zinc/72/42/20/655724220.db2.gz IUAMWZXHPJLELT-AWEZNQCLSA-N 1 0 317.882 3.452 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000723987298 655733446 /nfs/dbraw/zinc/73/34/46/655733446.db2.gz MEQIWYOQKTYJSL-OTWHNJEPSA-N 1 0 302.462 3.056 10 0 DGAERO CC[C@@H]([NH2+]Cc1ncccc1Br)[C@@H]1CCCOC1 ZINC000724004724 655735297 /nfs/dbraw/zinc/73/52/97/655735297.db2.gz VMZNOROZEFZUFX-DGCLKSJQSA-N 1 0 313.239 3.139 10 0 DGAERO C[C@H](Cc1ccsc1)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724058297 655739669 /nfs/dbraw/zinc/73/96/69/655739669.db2.gz MKCYWGZKHNPGMJ-SCZZXKLOSA-N 1 0 317.323 3.217 10 0 DGAERO C[C@@H](CNC(=O)/C=C\C(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC000255416385 655741151 /nfs/dbraw/zinc/74/11/51/655741151.db2.gz RSTSRWFWOUWXQW-UJZCVKTISA-N 1 0 306.475 3.213 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000176258512 655746340 /nfs/dbraw/zinc/74/63/40/655746340.db2.gz CYOKUCORVJOLSF-GSPCDJLXSA-N 1 0 318.436 3.466 10 0 DGAERO C[N@H+](CCNCc1nc(C(C)(C)C)co1)Cc1ccccc1 ZINC000724429118 655761150 /nfs/dbraw/zinc/76/11/50/655761150.db2.gz MQAUBMIZFLHTMA-UHFFFAOYSA-N 1 0 301.434 3.194 10 0 DGAERO COc1ccc(C[NH2+]Cc2ccc(O)c(Cl)c2)cc1OC ZINC000043477071 655770364 /nfs/dbraw/zinc/77/03/64/655770364.db2.gz CCGDDHKKEVGKFS-UHFFFAOYSA-N 1 0 307.777 3.353 10 0 DGAERO CC(C)[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000091312018 655784865 /nfs/dbraw/zinc/78/48/65/655784865.db2.gz QOJAXBXREIZTAV-CYBMUJFWSA-N 1 0 324.273 3.325 10 0 DGAERO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@](C)(O)CC ZINC000161335206 655785418 /nfs/dbraw/zinc/78/54/18/655785418.db2.gz FAWPFKANVDPGBT-AWEZNQCLSA-N 1 0 316.239 3.138 10 0 DGAERO Cn1cc(C[NH2+]C[C@H]2CCCC2(C)C)c(Br)n1 ZINC000712396184 661188288 /nfs/dbraw/zinc/18/82/88/661188288.db2.gz DSAXHVXUKDGNAJ-LLVKDONJSA-N 1 0 300.244 3.099 10 0 DGAERO Cn1cc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)c(Br)n1 ZINC000712452317 661188604 /nfs/dbraw/zinc/18/86/04/661188604.db2.gz UZPFDEAOUSKPFJ-STQMWFEESA-N 1 0 312.255 3.241 10 0 DGAERO Cn1cc(C[NH2+]C2CC(c3ccccc3)C2)c(Br)n1 ZINC000712433094 661188607 /nfs/dbraw/zinc/18/86/07/661188607.db2.gz GIVKWXPUHNBSOE-UHFFFAOYSA-N 1 0 320.234 3.218 10 0 DGAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712477127 661188648 /nfs/dbraw/zinc/18/86/48/661188648.db2.gz RUWTYVBSVFQJGY-CMPLNLGQSA-N 1 0 300.244 3.241 10 0 DGAERO C[C@H]1CC([NH2+]Cc2cn(C)nc2Br)C[C@H](C)C1 ZINC000712475668 661188722 /nfs/dbraw/zinc/18/87/22/661188722.db2.gz HPPWCFMRDOOZNY-NXEZZACHSA-N 1 0 300.244 3.097 10 0 DGAERO Cn1cc(C[NH2+]C2CCC(C)(C)CC2)c(Br)n1 ZINC000712477444 661188956 /nfs/dbraw/zinc/18/89/56/661188956.db2.gz VXTXDDUOEMCRTO-UHFFFAOYSA-N 1 0 300.244 3.241 10 0 DGAERO CCC([NH2+]Cc1cn(C)nc1Br)(C1CC1)C1CC1 ZINC000712483631 661189063 /nfs/dbraw/zinc/18/90/63/661189063.db2.gz ZYLFOYZDCCIUEK-UHFFFAOYSA-N 1 0 312.255 3.241 10 0 DGAERO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1sccc1Br ZINC000712573708 661189264 /nfs/dbraw/zinc/18/92/64/661189264.db2.gz VEJWSWXMCPPIMX-VHSXEESVSA-N 1 0 303.269 3.255 10 0 DGAERO CCN1CC[C@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000712608276 661189497 /nfs/dbraw/zinc/18/94/97/661189497.db2.gz RYGBYRGYUYSZDE-GXSJLCMTSA-N 1 0 315.280 3.182 10 0 DGAERO C[C@H]([NH2+]CCc1sccc1Br)[C@@H]1CCCO1 ZINC000713082885 661190194 /nfs/dbraw/zinc/19/01/94/661190194.db2.gz WAJIYLZFSSUHTF-ONGXEEELSA-N 1 0 304.253 3.210 10 0 DGAERO Brc1ccsc1CC[NH2+]C[C@H]1CCSC1 ZINC000713078814 661190215 /nfs/dbraw/zinc/19/02/15/661190215.db2.gz QKODYGBTCGTFRO-SECBINFHSA-N 1 0 306.294 3.396 10 0 DGAERO CCn1cncc1C[NH2+]CCc1sccc1Br ZINC000713104773 661190289 /nfs/dbraw/zinc/19/02/89/661190289.db2.gz JSDKDHTUBFKCCJ-UHFFFAOYSA-N 1 0 314.252 3.059 10 0 DGAERO C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)s1 ZINC000235175607 655822360 /nfs/dbraw/zinc/82/23/60/655822360.db2.gz XDXKUYWRMIESCB-BXKDBHETSA-N 1 0 300.855 3.357 10 0 DGAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721558683 655825084 /nfs/dbraw/zinc/82/50/84/655825084.db2.gz BDKAFQXHINRJOM-MGPQQGTHSA-N 1 0 314.470 3.083 10 0 DGAERO CN(CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000721590955 655860904 /nfs/dbraw/zinc/86/09/04/655860904.db2.gz ZHGCUVCGDVPRJS-MSOLQXFVSA-N 1 0 304.478 3.302 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714361603 661198825 /nfs/dbraw/zinc/19/88/25/661198825.db2.gz SIPCBGQWKWVTSV-KFWWJZLASA-N 1 0 301.496 3.148 10 0 DGAERO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000714341977 661198926 /nfs/dbraw/zinc/19/89/26/661198926.db2.gz JLGFDUALXPTZAX-LLVKDONJSA-N 1 0 322.257 3.050 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C(\C)c1cccc(F)c1 ZINC000177003445 655886222 /nfs/dbraw/zinc/88/62/22/655886222.db2.gz RZAAAEOSIGOLMR-WKOYGUFESA-N 1 0 304.409 3.172 10 0 DGAERO CC[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000714366020 661199307 /nfs/dbraw/zinc/19/93/07/661199307.db2.gz NTJRVJONULIQFV-CABCVRRESA-N 1 0 315.866 3.348 10 0 DGAERO CCC[N@@H+](Cc1ccc(-n2ccnc2)nc1)C[C@H]1CCCCO1 ZINC000177149647 655915026 /nfs/dbraw/zinc/91/50/26/655915026.db2.gz NZUBPLFVGVDKED-QGZVFWFLSA-N 1 0 314.433 3.048 10 0 DGAERO Cc1ncc(C(=O)OCCC[N@@H+](C)Cc2ccccc2)s1 ZINC000177196653 655916845 /nfs/dbraw/zinc/91/68/45/655916845.db2.gz CWIHJVKLUONOJQ-UHFFFAOYSA-N 1 0 304.415 3.130 10 0 DGAERO CCC1([NH3+])CCN(Cc2ccc(Br)s2)CC1 ZINC000714759069 661203267 /nfs/dbraw/zinc/20/32/67/661203267.db2.gz MFQZRSDIRBUZTL-UHFFFAOYSA-N 1 0 303.269 3.214 10 0 DGAERO CCCn1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 ZINC000180240924 655961269 /nfs/dbraw/zinc/96/12/69/655961269.db2.gz MBBONDUZJRHTKT-OALUTQOASA-N 1 0 313.445 3.381 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000715146283 661208818 /nfs/dbraw/zinc/20/88/18/661208818.db2.gz MFJMIRNEZOEIRW-XJKCOSOUSA-N 1 0 314.495 3.165 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000327878254 656007541 /nfs/dbraw/zinc/00/75/41/656007541.db2.gz LGIKVGSFLZMLCL-BBRMVZONSA-N 1 0 314.495 3.119 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(S(C)(=O)=O)cc1 ZINC000715623762 661213359 /nfs/dbraw/zinc/21/33/59/661213359.db2.gz RCXCSFLCOTVZHS-JSGCOSHPSA-N 1 0 313.488 3.026 10 0 DGAERO C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000311804336 656015832 /nfs/dbraw/zinc/01/58/32/656015832.db2.gz HMOATBGRPBUTCL-OQPBUACISA-N 1 0 301.217 3.298 10 0 DGAERO Brc1cncc(C[NH2+]CC[C@H]2CCCS2)c1 ZINC000715863786 661214962 /nfs/dbraw/zinc/21/49/62/661214962.db2.gz KCRLBGAUOBECCE-GFCCVEGCSA-N 1 0 301.253 3.219 10 0 DGAERO CCCn1cc([C@H](C)[NH2+]C2CC(OCc3ccccc3)C2)nn1 ZINC000715851756 661215224 /nfs/dbraw/zinc/21/52/24/661215224.db2.gz DWXYFBHHJSYHFK-OOHWJJMZSA-N 1 0 314.433 3.087 10 0 DGAERO C[C@@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000309653463 656036058 /nfs/dbraw/zinc/03/60/58/656036058.db2.gz HSNNYWBPVOYDTK-DMUMMCEESA-N 1 0 312.457 3.061 10 0 DGAERO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000309801692 656057852 /nfs/dbraw/zinc/05/78/52/656057852.db2.gz JZQXQPQALQRWLL-VWYCJHECSA-N 1 0 311.426 3.244 10 0 DGAERO c1ccc(CN2CC[C@H]2C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000716276127 661220779 /nfs/dbraw/zinc/22/07/79/661220779.db2.gz HJNKOSOLKPIYCT-MOPGFXCFSA-N 1 0 314.473 3.342 10 0 DGAERO O[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1F ZINC000716285106 661221058 /nfs/dbraw/zinc/22/10/58/661221058.db2.gz PJJDZNONHWFVTQ-LADRWXRNSA-N 1 0 315.388 3.197 10 0 DGAERO COc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000309860900 656087551 /nfs/dbraw/zinc/08/75/51/656087551.db2.gz HZWZWTLMCUYIFW-CYBMUJFWSA-N 1 0 308.422 3.040 10 0 DGAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000309864593 656089940 /nfs/dbraw/zinc/08/99/40/656089940.db2.gz KZRPHGSQDLNFQQ-RDJZCZTQSA-N 1 0 318.461 3.464 10 0 DGAERO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000312075252 656094514 /nfs/dbraw/zinc/09/45/14/656094514.db2.gz PVFLATQJHANNAP-DTWKUNHWSA-N 1 0 302.205 3.242 10 0 DGAERO C[C@H](NC(=O)CSC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181515628 656099475 /nfs/dbraw/zinc/09/94/75/656099475.db2.gz FIMWDAPLUPRCEM-UONOGXRCSA-N 1 0 312.523 3.287 10 0 DGAERO Cc1n[nH]c(C[NH2+]Cc2ccc(Br)c(F)c2)c1C ZINC000716481639 661224680 /nfs/dbraw/zinc/22/46/80/661224680.db2.gz GEPPAKDKJFYUQF-UHFFFAOYSA-N 1 0 312.186 3.218 10 0 DGAERO Cc1ccoc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000309961986 656114418 /nfs/dbraw/zinc/11/44/18/656114418.db2.gz IXPVPBRDEISGNK-KGLIPLIRSA-N 1 0 308.422 3.371 10 0 DGAERO CCOc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cc1 ZINC000309699630 656114447 /nfs/dbraw/zinc/11/44/47/656114447.db2.gz ZQMGMCYYGNAAHL-SREVYHEPSA-N 1 0 320.433 3.256 10 0 DGAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1ncc(Br)s1 ZINC000716650385 661225965 /nfs/dbraw/zinc/22/59/65/661225965.db2.gz KGCXMCOPBUCXEK-DOLQZWNJSA-N 1 0 301.253 3.287 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1C[C@H]1[C@H]1C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716659563 661226189 /nfs/dbraw/zinc/22/61/89/661226189.db2.gz KNXJBKZOMCDGAP-XYTFPVCRSA-N 1 0 308.466 3.124 10 0 DGAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000716704258 661227720 /nfs/dbraw/zinc/22/77/20/661227720.db2.gz BSGHQUVLJPYNPH-NNGSBXSVSA-N 1 0 324.424 3.180 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cccc(Br)c1F ZINC000716832671 661229319 /nfs/dbraw/zinc/22/93/19/661229319.db2.gz YZGFVDMIKHKXEX-MWLCHTKSSA-N 1 0 304.203 3.227 10 0 DGAERO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189139684 656152376 /nfs/dbraw/zinc/15/23/76/656152376.db2.gz RMAFOWRWAJJAIK-OALUTQOASA-N 1 0 303.446 3.228 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]CC2(C)CC2)C1 ZINC000716994109 661236701 /nfs/dbraw/zinc/23/67/01/661236701.db2.gz AYENTJRJNMQKHY-LBPRGKRZSA-N 1 0 318.408 3.268 10 0 DGAERO [NH3+][C@H]1CN(c2ncc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000716986288 661236738 /nfs/dbraw/zinc/23/67/38/661236738.db2.gz MBZFMTXGWMNLGE-CBAPKCEASA-N 1 0 314.138 3.104 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+][C@H]1COCC1(C)C)C(C)(C)C ZINC000313037691 656259070 /nfs/dbraw/zinc/25/90/70/656259070.db2.gz ODYSGCGPRYJUHO-ZDUSSCGKSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCc2ccc(-n3ccnc3)cc2)o1 ZINC000066889737 656309223 /nfs/dbraw/zinc/30/92/23/656309223.db2.gz DOMPRPPGGCEEIC-AWEZNQCLSA-N 1 0 324.384 3.334 10 0 DGAERO C[C@@H](COCc1ccccc1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184209247 656320075 /nfs/dbraw/zinc/32/00/75/656320075.db2.gz YSWRJMXTVIWZGQ-INIZCTEOSA-N 1 0 318.461 3.007 10 0 DGAERO COC[C@@H](C)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000187260521 661254836 /nfs/dbraw/zinc/25/48/36/661254836.db2.gz HGBZLSRANYBETB-SUMWQHHRSA-N 1 0 311.853 3.368 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)C1CC1 ZINC000717149198 661255829 /nfs/dbraw/zinc/25/58/29/661255829.db2.gz AIFGOEYNMXRUFE-WCQYABFASA-N 1 0 318.408 3.267 10 0 DGAERO [NH3+][C@H]1CN(Cc2ccc(Cl)cc2F)CC[C@H]1C(F)(F)F ZINC000717151671 661255834 /nfs/dbraw/zinc/25/58/34/661255834.db2.gz HXZPPJPKGFGAKT-PWSUYJOCSA-N 1 0 310.722 3.191 10 0 DGAERO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000722273489 656376221 /nfs/dbraw/zinc/37/62/21/656376221.db2.gz VNGCQPIZDWITGZ-ZANVPECISA-N 1 0 317.658 3.142 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cncc(Br)c1 ZINC000717625173 661265872 /nfs/dbraw/zinc/26/58/72/661265872.db2.gz LVZFZRWXORMZPH-ZWNOBZJWSA-N 1 0 313.239 3.310 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000037621768 661268108 /nfs/dbraw/zinc/26/81/08/661268108.db2.gz IVZFKWIYSLEOAB-HZMBPMFUSA-N 1 0 313.239 3.144 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000723620717 656496723 /nfs/dbraw/zinc/49/67/23/656496723.db2.gz HREWBVWBRNYKEM-BTHPGYMESA-N 1 0 316.489 3.302 10 0 DGAERO c1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1 ZINC000723650858 656498361 /nfs/dbraw/zinc/49/83/61/656498361.db2.gz LDLXFYMQCZOFMO-MTQWCTHYSA-N 1 0 314.473 3.056 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccncc1 ZINC000723832987 656501291 /nfs/dbraw/zinc/50/12/91/656501291.db2.gz UXXNOARXFWXNIT-IIAWOOMASA-N 1 0 319.449 3.235 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)C[C@H]1CC[NH3+] ZINC000723890133 656503794 /nfs/dbraw/zinc/50/37/94/656503794.db2.gz CABBQJGCGVWVIT-ZYHUDNBSSA-N 1 0 315.230 3.005 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000723954247 656504991 /nfs/dbraw/zinc/50/49/91/656504991.db2.gz XROQVBUQOOUDND-ZCNNSNEGSA-N 1 0 316.489 3.446 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000724025146 656505777 /nfs/dbraw/zinc/50/57/77/656505777.db2.gz DKTYEXBGWKOYIP-KBPBESRZSA-N 1 0 323.437 3.074 10 0 DGAERO CS[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724055758 656507244 /nfs/dbraw/zinc/50/72/44/656507244.db2.gz AOICSEBFIYGHBV-BBBLOLIVSA-N 1 0 321.355 3.199 10 0 DGAERO CS[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724055754 656507285 /nfs/dbraw/zinc/50/72/85/656507285.db2.gz AOICSEBFIYGHBV-AEJSXWLSSA-N 1 0 321.355 3.199 10 0 DGAERO Cc1cscc1C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724107619 656509971 /nfs/dbraw/zinc/50/99/71/656509971.db2.gz DJXZUBGLMUTAFW-SECBINFHSA-N 1 0 303.296 3.095 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000724993158 656531025 /nfs/dbraw/zinc/53/10/25/656531025.db2.gz PAZRMHJSQMCJLB-SKINQDTJSA-N 1 0 309.409 3.269 10 0 DGAERO OCC[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000725116702 656531381 /nfs/dbraw/zinc/53/13/81/656531381.db2.gz XBZUEQXWTFCOOP-FQEVSTJZSA-N 1 0 316.489 3.182 10 0 DGAERO Oc1cccc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1Cl ZINC000722405513 656721605 /nfs/dbraw/zinc/72/16/05/656721605.db2.gz WDKSWSQWVDIVNT-KOLCDFICSA-N 1 0 309.715 3.245 10 0 DGAERO Oc1cccc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1Cl ZINC000722405515 656721764 /nfs/dbraw/zinc/72/17/64/656721764.db2.gz WDKSWSQWVDIVNT-ONGXEEELSA-N 1 0 309.715 3.245 10 0 DGAERO c1cc(-c2ccncc2)n(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC000067094645 656984021 /nfs/dbraw/zinc/98/40/21/656984021.db2.gz JXVINSUBDHZURC-SFYZZRBRSA-N 1 0 308.429 3.413 10 0 DGAERO COC1(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)CCCCC1 ZINC000319573033 657090048 /nfs/dbraw/zinc/09/00/48/657090048.db2.gz GFUQWPKYPKFSLW-CQSZACIVSA-N 1 0 314.470 3.229 10 0 DGAERO O=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261806014 657109050 /nfs/dbraw/zinc/10/90/50/657109050.db2.gz ZEYYESINLLLTKW-MGYRSQIZSA-N 1 0 318.383 3.144 10 0 DGAERO C[C@H](C[NH3+])c1noc(-c2ccc(Br)cc2Cl)n1 ZINC000054158930 657121148 /nfs/dbraw/zinc/12/11/48/657121148.db2.gz CEVSCRZJFMRDAE-ZCFIWIBFSA-N 1 0 316.586 3.215 10 0 DGAERO COc1ccc(OC)c([C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000261847916 657133961 /nfs/dbraw/zinc/13/39/61/657133961.db2.gz JGAVDKYMFOLYOU-IGNZVWTISA-N 1 0 312.413 3.499 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000721816537 657400637 /nfs/dbraw/zinc/40/06/37/657400637.db2.gz LDMPHEMNCSRXIU-SECBINFHSA-N 1 0 304.253 3.103 10 0 DGAERO C[C@@H](c1cccc(F)c1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000095953916 657493528 /nfs/dbraw/zinc/49/35/28/657493528.db2.gz BABBZYJVTYDXKU-ZDUSSCGKSA-N 1 0 314.408 3.304 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)s1 ZINC000251584807 657523419 /nfs/dbraw/zinc/52/34/19/657523419.db2.gz WSRDSLSIVGNSGP-DCAQKATOSA-N 1 0 300.855 3.344 10 0 DGAERO CCOc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC000304239595 657611467 /nfs/dbraw/zinc/61/14/67/657611467.db2.gz CUUBGPUCLYGCFG-CQSZACIVSA-N 1 0 322.449 3.430 10 0 DGAERO C[C@@H](C[NH2+][C@H]1CCCc2cccnc21)N(C)C(=O)OC(C)(C)C ZINC000304304938 657622219 /nfs/dbraw/zinc/62/22/19/657622219.db2.gz PNEOQXWXEUTCMZ-ZFWWWQNUSA-N 1 0 319.449 3.304 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CCCc2cccnc21)N(C)C(=O)OC(C)(C)C ZINC000304304935 657622550 /nfs/dbraw/zinc/62/25/50/657622550.db2.gz PNEOQXWXEUTCMZ-UKRRQHHQSA-N 1 0 319.449 3.304 10 0 DGAERO CSC1CCC(C[NH2+]Cc2c(Cl)c(C)nn2C)CC1 ZINC000720540872 657879272 /nfs/dbraw/zinc/87/92/72/657879272.db2.gz NZMGCENKLJCSJY-UHFFFAOYSA-N 1 0 301.887 3.393 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[C@H]1C ZINC000321175383 658091631 /nfs/dbraw/zinc/09/16/31/658091631.db2.gz YWUOJDTYWJSRPV-APIJFGDWSA-N 1 0 308.466 3.410 10 0 DGAERO C[NH2+]CCN(C(=O)Nc1cc(Cl)cc(Cl)c1)C(C)C ZINC000720797335 658120889 /nfs/dbraw/zinc/12/08/89/658120889.db2.gz GFCJVFRVJJCYTC-UHFFFAOYSA-N 1 0 304.221 3.455 10 0 DGAERO Cc1ccc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000720844695 658148953 /nfs/dbraw/zinc/14/89/53/658148953.db2.gz MORMUTVYPFAJPZ-NWDGAFQWSA-N 1 0 306.759 3.217 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@H]1C(F)(F)F ZINC000720847078 658150200 /nfs/dbraw/zinc/15/02/00/658150200.db2.gz YBICQDHDBHPGQA-PSASIEDQSA-N 1 0 310.722 3.048 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720877514 658154293 /nfs/dbraw/zinc/15/42/93/658154293.db2.gz PWCZANHYMUKMOA-IRUJWGPZSA-N 1 0 306.759 3.470 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC2(C)CC(F)(F)C2)C1 ZINC000720923346 658236771 /nfs/dbraw/zinc/23/67/71/658236771.db2.gz NZTOSNIOFFTVIE-UHFFFAOYSA-N 1 0 318.408 3.315 10 0 DGAERO C[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)C(=O)NC(C)(C)C ZINC000722135606 658250924 /nfs/dbraw/zinc/25/09/24/658250924.db2.gz MPKWTCDSAGKRHA-JTQLQIEISA-N 1 0 317.260 3.429 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)nc1 ZINC000721873623 658316451 /nfs/dbraw/zinc/31/64/51/658316451.db2.gz OTDFUKHSUHKKQY-HNNXBMFYSA-N 1 0 319.449 3.125 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)nc1 ZINC000721873630 658317148 /nfs/dbraw/zinc/31/71/48/658317148.db2.gz OTDFUKHSUHKKQY-OAHLLOKOSA-N 1 0 319.449 3.125 10 0 DGAERO CC[C@](C)(C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)OC ZINC000322620983 658548904 /nfs/dbraw/zinc/54/89/04/658548904.db2.gz NOYWHQWXTXKZSR-CKEIUWERSA-N 1 0 314.470 3.037 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)C[C@@H](O)c1ccc(F)cc1F ZINC000055025046 658908930 /nfs/dbraw/zinc/90/89/30/658908930.db2.gz QLKSVPCEEPJHOU-QGZVFWFLSA-N 1 0 309.331 3.312 10 0 DGAERO Cc1ccc(C[NH+]2CCN(c3cncc4cccnc43)CC2)cc1 ZINC000223133846 658966354 /nfs/dbraw/zinc/96/63/54/658966354.db2.gz RVUJXIUVOVPBLW-UHFFFAOYSA-N 1 0 318.424 3.260 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cccc(F)c1Br ZINC000157004789 658978521 /nfs/dbraw/zinc/97/85/21/658978521.db2.gz RGPUPAGJIUYMLV-ZWNOBZJWSA-N 1 0 315.230 3.290 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1CCOc2ccccc21 ZINC000224501215 659019509 /nfs/dbraw/zinc/01/95/09/659019509.db2.gz HTMPVMLVGMSHBA-AWEZNQCLSA-N 1 0 320.433 3.403 10 0 DGAERO Cc1cnc(CC[N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)s1 ZINC000157661875 659082142 /nfs/dbraw/zinc/08/21/42/659082142.db2.gz YPYKDCCGIOFWCS-AWEZNQCLSA-N 1 0 310.850 3.313 10 0 DGAERO C[C@H](CC[NH2+][C@H]1CCCc2cccnc21)NC(=O)OC(C)(C)C ZINC000227671365 659160339 /nfs/dbraw/zinc/16/03/39/659160339.db2.gz AULWMTIBRGLANQ-HIFRSBDPSA-N 1 0 319.449 3.352 10 0 DGAERO Cc1cc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)ccc1F ZINC000227760611 659163834 /nfs/dbraw/zinc/16/38/34/659163834.db2.gz WTWBIJPSESEAMV-AATRIKPKSA-N 1 0 308.397 3.305 10 0 DGAERO C[C@H](C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000227759517 659163918 /nfs/dbraw/zinc/16/39/18/659163918.db2.gz VJPSRTUPEXUAHD-XVJNWHFHSA-N 1 0 304.434 3.461 10 0 DGAERO CCN(c1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000171070846 659257413 /nfs/dbraw/zinc/25/74/13/659257413.db2.gz OTEGDZSJBIRCAR-QGZVFWFLSA-N 1 0 318.465 3.089 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C)(C[NH2+]Cc2ccoc2)CC1 ZINC000230160893 659315730 /nfs/dbraw/zinc/31/57/30/659315730.db2.gz VVAVNNSWROYWJB-UHFFFAOYSA-N 1 0 308.422 3.406 10 0 DGAERO O=C(NCC1CCCCCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174183361 659418822 /nfs/dbraw/zinc/41/88/22/659418822.db2.gz ZKFOXNJHCZXJIM-QGZVFWFLSA-N 1 0 305.466 3.003 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@]1(C)CCCS1 ZINC000232504803 659434632 /nfs/dbraw/zinc/43/46/32/659434632.db2.gz HPPQNHZLDPMPNN-BBRMVZONSA-N 1 0 314.495 3.261 10 0 DGAERO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1scnc1Cl ZINC000721963896 659493929 /nfs/dbraw/zinc/49/39/29/659493929.db2.gz SFGJXNSCYVBALE-IJLUTSLNSA-N 1 0 300.855 3.312 10 0 DGAERO O[C@@H](CNc1cc2ccccc2c(Cl)n1)C[NH+]1CCCCC1 ZINC000174686381 659498768 /nfs/dbraw/zinc/49/87/68/659498768.db2.gz FMMNTEZOICBVBS-AWEZNQCLSA-N 1 0 319.836 3.147 10 0 DGAERO CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089390905 659640046 /nfs/dbraw/zinc/64/00/46/659640046.db2.gz FLPFMHONAOCHSM-CMPLNLGQSA-N 1 0 300.855 3.125 10 0 DGAERO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCCC12CCC2 ZINC000444772850 659886365 /nfs/dbraw/zinc/88/63/65/659886365.db2.gz BOKXXFLEHPLABB-HNNXBMFYSA-N 1 0 309.837 3.236 10 0 DGAERO O[C@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CCCC12CCC2 ZINC000444782499 659886400 /nfs/dbraw/zinc/88/64/00/659886400.db2.gz CRPVWQQJYPLXSV-HKUYNNGSSA-N 1 0 315.457 3.460 10 0 DGAERO CCc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000180127975 659952873 /nfs/dbraw/zinc/95/28/73/659952873.db2.gz GPYQAYLWMGULTP-DOTOQJQBSA-N 1 0 314.454 3.486 10 0 DGAERO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000180389026 659961545 /nfs/dbraw/zinc/96/15/45/659961545.db2.gz HEIZMQFKCSRJJP-CZUORRHYSA-N 1 0 320.433 3.127 10 0 DGAERO O=C(OCCOC1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000181077406 659979087 /nfs/dbraw/zinc/97/90/87/659979087.db2.gz KKHIERMWPKWUIF-UHFFFAOYSA-N 1 0 314.385 3.378 10 0 DGAERO CCCCC[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189035131 659996733 /nfs/dbraw/zinc/99/67/33/659996733.db2.gz VFQKLOINJLCNTJ-PBHICJAKSA-N 1 0 306.425 3.485 10 0 DGAERO CC(C)OCCCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000181668218 660014760 /nfs/dbraw/zinc/01/47/60/660014760.db2.gz VQTMMEYGYBXXDH-GOSISDBHSA-N 1 0 319.445 3.399 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccsc2)C12CCCCC2 ZINC000181786220 660020435 /nfs/dbraw/zinc/02/04/35/660020435.db2.gz OYMWWFHQZIBCNQ-HRCADAONSA-N 1 0 309.475 3.499 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1cccc(Br)c1 ZINC000182580336 660063535 /nfs/dbraw/zinc/06/35/35/660063535.db2.gz VXAQLZPLCLFJHU-WDEREUQCSA-N 1 0 312.207 3.053 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1 ZINC000182676935 660070665 /nfs/dbraw/zinc/07/06/65/660070665.db2.gz OXGXUOZUMAQMGL-AUUYWEPGSA-N 1 0 317.404 3.435 10 0 DGAERO CCOCCCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183181643 660103300 /nfs/dbraw/zinc/10/33/00/660103300.db2.gz FRWNLLVKHMCKBK-QGZVFWFLSA-N 1 0 305.418 3.011 10 0 DGAERO Cc1ncccc1C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183195058 660104087 /nfs/dbraw/zinc/10/40/87/660104087.db2.gz JXNLJWXIMXTEPP-KRWDZBQOSA-N 1 0 310.397 3.211 10 0 DGAERO Clc1snnc1CN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000071886747 660154996 /nfs/dbraw/zinc/15/49/96/660154996.db2.gz AZCOQTWWGSUEDY-LBPRGKRZSA-N 1 0 314.886 3.032 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000184466143 660169464 /nfs/dbraw/zinc/16/94/64/660169464.db2.gz VVLGHVBJPJHKBL-KBPBESRZSA-N 1 0 308.422 3.496 10 0 DGAERO Cc1nc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)sc1C ZINC000043550680 661846235 /nfs/dbraw/zinc/84/62/35/661846235.db2.gz AGMZDCONHFBQEO-CQSZACIVSA-N 1 0 318.446 3.184 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C)CC2CCOCC2)cc1 ZINC000155919145 661855083 /nfs/dbraw/zinc/85/50/83/661855083.db2.gz SNWQXUKFOSDHID-UHFFFAOYSA-N 1 0 304.434 3.107 10 0 DGAERO CC[C@@H]1CN(Cc2cccc(F)c2Br)CC[C@@H]1[NH3+] ZINC000157022242 661865838 /nfs/dbraw/zinc/86/58/38/661865838.db2.gz QGKUFONNBNZBHD-MFKMUULPSA-N 1 0 315.230 3.147 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187754813 661903013 /nfs/dbraw/zinc/90/30/13/661903013.db2.gz DDSKLLZRESRDKO-ZNMIVQPWSA-N 1 0 314.470 3.179 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187755623 661903121 /nfs/dbraw/zinc/90/31/21/661903121.db2.gz GMLJTVRFCOOCOQ-LNSITVRQSA-N 1 0 322.453 3.157 10 0 DGAERO O=C1CCCCN1c1ccc(C[NH2+]Cc2ccc(F)nc2)cc1 ZINC000189006682 661958690 /nfs/dbraw/zinc/95/86/90/661958690.db2.gz NIVHCPKQJSJWFJ-UHFFFAOYSA-N 1 0 313.376 3.027 10 0 DGAERO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000189111387 661963390 /nfs/dbraw/zinc/96/33/90/661963390.db2.gz KJAKOBRSOZKGSZ-QGZVFWFLSA-N 1 0 318.804 3.273 10 0 DGAERO COc1ccc2c(c1)C(=O)N(C[N@H+](C)[C@H]1CCC[C@@H](C)C1)C2 ZINC000189707043 661988558 /nfs/dbraw/zinc/98/85/58/661988558.db2.gz HRARUKJXJQEOGW-HIFRSBDPSA-N 1 0 302.418 3.119 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189883529 661995087 /nfs/dbraw/zinc/99/50/87/661995087.db2.gz DMSWBMVJTVDWQY-BEFAXECRSA-N 1 0 307.397 3.257 10 0 DGAERO CC(C)(O)C[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CC1 ZINC000189894436 661995485 /nfs/dbraw/zinc/99/54/85/661995485.db2.gz FOEKAFUOPCPGCT-HNNXBMFYSA-N 1 0 322.836 3.068 10 0 DGAERO Cc1ccc(OCC[N@@H+](C)CC2CCC3(CC2)OCCO3)cc1 ZINC000190175232 662021930 /nfs/dbraw/zinc/02/19/30/662021930.db2.gz LOBVGFCYRMNYLN-UHFFFAOYSA-N 1 0 319.445 3.239 10 0 DGAERO CC(C)N(C)C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000190662958 662040049 /nfs/dbraw/zinc/04/00/49/662040049.db2.gz VTBWQTUEOLSYCQ-UHFFFAOYSA-N 1 0 320.433 3.390 10 0 DGAERO CCOC1CC(CC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000191074307 662053449 /nfs/dbraw/zinc/05/34/49/662053449.db2.gz MVMCTGSLFOUVRV-LXPRWKDFSA-N 1 0 317.429 3.009 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192190404 662091300 /nfs/dbraw/zinc/09/13/00/662091300.db2.gz IDPCMUDWDXUQND-JSGCOSHPSA-N 1 0 319.449 3.083 10 0 DGAERO O[C@@H](C[N@H+](Cc1ccccn1)C1CC1)c1ccccc1Cl ZINC000193530372 662137755 /nfs/dbraw/zinc/13/77/55/662137755.db2.gz FDDAEZOQFHTZOE-KRWDZBQOSA-N 1 0 302.805 3.433 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CSCCS1 ZINC000193633010 662142441 /nfs/dbraw/zinc/14/24/41/662142441.db2.gz RMUIEOZLCFDTKM-HNNXBMFYSA-N 1 0 322.499 3.070 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3nc(Cl)ccc3c2)C1 ZINC000194661058 662170773 /nfs/dbraw/zinc/17/07/73/662170773.db2.gz JLCFIWXVNNIOML-AWEZNQCLSA-N 1 0 317.820 3.102 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cn1cccnc1=S ZINC000194655592 662170999 /nfs/dbraw/zinc/17/09/99/662170999.db2.gz BLAQAZKSWKVVEX-HNNXBMFYSA-N 1 0 315.442 3.286 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CCc2ccccc2)C1 ZINC000195184397 662179875 /nfs/dbraw/zinc/17/98/75/662179875.db2.gz BWLXRHSDKWNXQT-IBGZPJMESA-N 1 0 318.461 3.466 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717942700 662211745 /nfs/dbraw/zinc/21/17/45/662211745.db2.gz INHOLVVWZRVDSP-UWVGGRQHSA-N 1 0 311.369 3.469 10 0 DGAERO COC1CC(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)C1 ZINC000717993305 662213209 /nfs/dbraw/zinc/21/32/09/662213209.db2.gz AOFQWFXMOYRBIQ-ZGUYJTEBSA-N 1 0 303.446 3.385 10 0 DGAERO [NH3+]C1CC(Cc2nc(Cc3ccc(Cl)cc3Cl)no2)C1 ZINC000718032805 662214690 /nfs/dbraw/zinc/21/46/90/662214690.db2.gz NDJYFMZTBWDQOD-UHFFFAOYSA-N 1 0 312.200 3.247 10 0 DGAERO Cc1coc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000718053795 662216323 /nfs/dbraw/zinc/21/63/23/662216323.db2.gz QRBGFZLNSFSCOD-DZGCQCFKSA-N 1 0 308.422 3.323 10 0 DGAERO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000245526913 662234575 /nfs/dbraw/zinc/23/45/75/662234575.db2.gz AUXNVWGFJFODMS-XHDPSFHLSA-N 1 0 312.797 3.231 10 0 DGAERO CCCn1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000245742551 662240336 /nfs/dbraw/zinc/24/03/36/662240336.db2.gz MBBONDUZJRHTKT-RBUKOAKNSA-N 1 0 313.445 3.381 10 0 DGAERO Clc1cc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)ccn1 ZINC000245809395 662242266 /nfs/dbraw/zinc/24/22/66/662242266.db2.gz CCVKGTHWLYPASE-UONOGXRCSA-N 1 0 312.866 3.222 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000089431264 662243568 /nfs/dbraw/zinc/24/35/68/662243568.db2.gz RZJCUKMDZQKUSZ-PWSUYJOCSA-N 1 0 309.772 3.295 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000245898885 662243595 /nfs/dbraw/zinc/24/35/95/662243595.db2.gz DJIZFFQJEJSULA-WHOFXGATSA-N 1 0 322.453 3.062 10 0 DGAERO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000718375567 662254322 /nfs/dbraw/zinc/25/43/22/662254322.db2.gz UGWHMUVVLCHBKS-RRFJBIMHSA-N 1 0 308.516 3.295 10 0 DGAERO Clc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)s1 ZINC000718420970 662255151 /nfs/dbraw/zinc/25/51/51/662255151.db2.gz XBVYYTKEYHANDL-RYUDHWBXSA-N 1 0 302.896 3.071 10 0 DGAERO COCC(C)(C)CC[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000718709893 662260360 /nfs/dbraw/zinc/26/03/60/662260360.db2.gz RVZOUHLWTZFEKQ-FUHWJXTLSA-N 1 0 304.478 3.302 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]C/C=C/CNC(=O)OC(C)(C)C)CC1 ZINC000718734935 662260991 /nfs/dbraw/zinc/26/09/91/662260991.db2.gz MPBXOVSXVUFNAI-XEVLESSRSA-N 1 0 312.454 3.005 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000718866216 662263550 /nfs/dbraw/zinc/26/35/50/662263550.db2.gz NWJMCRGOUHAUJW-SWLSCSKDSA-N 1 0 321.877 3.407 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(Cl)s1 ZINC000090467029 662264447 /nfs/dbraw/zinc/26/44/47/662264447.db2.gz XAOQFUCXQIBGTM-UWVGGRQHSA-N 1 0 307.868 3.019 10 0 DGAERO COCCC(C)(C)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719224904 662271554 /nfs/dbraw/zinc/27/15/54/662271554.db2.gz VSGYYQLWNZEOMN-UHFFFAOYSA-N 1 0 321.284 3.366 10 0 DGAERO COCC(C)(C)CC[NH2+]Cc1nc(C)c(Br)s1 ZINC000719288457 662272812 /nfs/dbraw/zinc/27/28/12/662272812.db2.gz QCCCMFYNHREXFC-UHFFFAOYSA-N 1 0 321.284 3.366 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2ccsc2C(F)(F)F)CCSC1 ZINC000719289889 662273309 /nfs/dbraw/zinc/27/33/09/662273309.db2.gz CQBLXYXESHCKEE-LLVKDONJSA-N 1 0 311.394 3.379 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CS[C@H](C)C2)sc1Br ZINC000719318917 662273596 /nfs/dbraw/zinc/27/35/96/662273596.db2.gz ZNPKMTNDRUUZDC-HTRCEHHLSA-N 1 0 307.282 3.198 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2sccc2Br)CCSC1 ZINC000719304038 662273682 /nfs/dbraw/zinc/27/36/82/662273682.db2.gz VMEUXDFCGICSPE-LLVKDONJSA-N 1 0 322.293 3.122 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CCOC(C)(C)C2)sc1Br ZINC000719325977 662273994 /nfs/dbraw/zinc/27/39/94/662273994.db2.gz FKOIYXRAGCDGDP-SECBINFHSA-N 1 0 319.268 3.261 10 0 DGAERO C[N@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C[C@H]1CCCOC1 ZINC000246774162 662278422 /nfs/dbraw/zinc/27/84/22/662278422.db2.gz QAABUWKEUFJUOD-CZUORRHYSA-N 1 0 322.836 3.191 10 0 DGAERO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ncc(Cl)s1)CC2 ZINC000719439477 662284767 /nfs/dbraw/zinc/28/47/67/662284767.db2.gz FHBBZFPNLFKJIN-GFCCVEGCSA-N 1 0 308.834 3.452 10 0 DGAERO Clc1cccc(C[NH2+][C@H]2CCCOC2)c1Br ZINC000719460198 662288302 /nfs/dbraw/zinc/28/83/02/662288302.db2.gz HGNBWVOQYVJTRK-JTQLQIEISA-N 1 0 304.615 3.371 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c(C)c1Br ZINC000719565861 662292547 /nfs/dbraw/zinc/29/25/47/662292547.db2.gz QJKAXPNHWAGWOX-GXTWGEPZSA-N 1 0 312.251 3.317 10 0 DGAERO C[NH2+]CCCCc1nc(-c2ccccc2Br)no1 ZINC000719701803 662296213 /nfs/dbraw/zinc/29/62/13/662296213.db2.gz WAMNKGTWQJEPAA-UHFFFAOYSA-N 1 0 310.195 3.041 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccccc1Cl ZINC000247066240 662298821 /nfs/dbraw/zinc/29/88/21/662298821.db2.gz HKENDTHCTWKWNM-HOMMJUPQSA-N 1 0 304.821 3.048 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000720149551 662303230 /nfs/dbraw/zinc/30/32/30/662303230.db2.gz NXZVGBCNUFYTLB-HZSPNIEDSA-N 1 0 314.470 3.035 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000720162978 662305922 /nfs/dbraw/zinc/30/59/22/662305922.db2.gz CGESSHTUVAQAEU-UWVGGRQHSA-N 1 0 301.228 3.308 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/Sc2ccccc2)[C@@H](C)C1 ZINC000247530535 662325110 /nfs/dbraw/zinc/32/51/10/662325110.db2.gz XEOFMGJUMXJDTO-OHKBXWSGSA-N 1 0 318.486 3.481 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(CSC(F)F)o1 ZINC000093437609 662354297 /nfs/dbraw/zinc/35/42/97/662354297.db2.gz CKWLZSBDYTYBNI-VXGBXAGGSA-N 1 0 316.417 3.404 10 0 DGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1C ZINC000227679167 685118488 /nfs/dbraw/zinc/11/84/88/685118488.db2.gz RTNKNJHOSCKFQA-RYUDHWBXSA-N 1 0 324.469 3.084 10 0 DGAERO O[C@@H](C[NH2+]C(Cc1ccccc1)Cc1ccccc1)C(F)(F)F ZINC000378910886 685146013 /nfs/dbraw/zinc/14/60/13/685146013.db2.gz ITRWENBXFJACJD-KRWDZBQOSA-N 1 0 323.358 3.353 10 0 DGAERO c1ccc(CN2CCCC[C@H]2C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000379619323 685148642 /nfs/dbraw/zinc/14/86/42/685148642.db2.gz BKVTXZQELFHMAH-OALUTQOASA-N 1 0 302.462 3.057 10 0 DGAERO C[C@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1Br ZINC000381055719 685154830 /nfs/dbraw/zinc/15/48/30/685154830.db2.gz LJWBHOAJVAXUET-JYMBTIDVSA-N 1 0 321.262 3.096 10 0 DGAERO CC(C)n1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000381050574 685154972 /nfs/dbraw/zinc/15/49/72/685154972.db2.gz GYBVNWUUEYLKFC-APWZRJJASA-N 1 0 312.461 3.217 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000381600882 685158562 /nfs/dbraw/zinc/15/85/62/685158562.db2.gz MMRCFMNSRYRTDG-KGLIPLIRSA-N 1 0 308.422 3.371 10 0 DGAERO COc1ccc(C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000381771376 685159888 /nfs/dbraw/zinc/15/98/88/685159888.db2.gz PXMKJRPDVLBYPD-ZIAGYGMSSA-N 1 0 322.449 3.395 10 0 DGAERO COc1ccc(C)cc1C[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381755017 685160059 /nfs/dbraw/zinc/16/00/59/685160059.db2.gz DPXVKMLBSCDNEE-SREVYHEPSA-N 1 0 320.433 3.174 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000381957921 685160772 /nfs/dbraw/zinc/16/07/72/685160772.db2.gz GAVZHVXGGJURNS-BFHYXJOUSA-N 1 0 314.495 3.023 10 0 DGAERO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CC2CCC1CC2)C1CC1 ZINC000382041076 685161820 /nfs/dbraw/zinc/16/18/20/685161820.db2.gz UJPIYYXWZURPQE-FPCDFSMTSA-N 1 0 308.466 3.458 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000390780164 685205593 /nfs/dbraw/zinc/20/55/93/685205593.db2.gz RLFCMRUMVHHZIK-NWDGAFQWSA-N 1 0 304.381 3.163 10 0 DGAERO CC(=O)C1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000391410762 685210528 /nfs/dbraw/zinc/21/05/28/685210528.db2.gz UVWLCCBMOKRRCD-UHFFFAOYSA-N 1 0 313.357 3.257 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CCOC1(C)C)C(C)(C)C ZINC000392804266 685215933 /nfs/dbraw/zinc/21/59/33/685215933.db2.gz ARMUSXKNUPXYEF-ZDUSSCGKSA-N 1 0 314.470 3.179 10 0 DGAERO Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)o1 ZINC000397939426 685233204 /nfs/dbraw/zinc/23/32/04/685233204.db2.gz XYSYBPNSPGMGBP-CQSZACIVSA-N 1 0 323.437 3.108 10 0 DGAERO COc1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1OC ZINC000399030222 685239651 /nfs/dbraw/zinc/23/96/51/685239651.db2.gz JRHGGUQZXFXQHY-NSHDSACASA-N 1 0 304.217 3.377 10 0 DGAERO COc1ccc(C[NH2+]CCc2cccnc2)cc1OC(F)F ZINC000128716920 1176042365 /nfs/dbraw/zinc/04/23/65/1176042365.db2.gz CFVRNOCKMNFUCP-UHFFFAOYSA-N 1 0 308.328 3.024 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CSC2(C)C)CN1C(=O)OC(C)(C)C ZINC000398973966 1176128987 /nfs/dbraw/zinc/12/89/87/1176128987.db2.gz ARYVBMYBDFDELZ-AGIUHOORSA-N 1 0 314.495 3.258 10 0 DGAERO O=C(Nc1ccc2cc[nH]c2c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000194337462 1176510389 /nfs/dbraw/zinc/51/03/89/1176510389.db2.gz UUVFCVFXSGKCRI-AWEZNQCLSA-N 1 0 312.417 3.118 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+]Cc1ccc3ncccc3c1)O2 ZINC000378892979 1176749236 /nfs/dbraw/zinc/74/92/36/1176749236.db2.gz MGDSYQWVYAONSE-INIZCTEOSA-N 1 0 306.365 3.164 10 0 DGAERO CC(C)(C)OC(=O)NCC(F)(F)C[NH2+]CC1(C)CCCC1 ZINC000394602725 1176754809 /nfs/dbraw/zinc/75/48/09/1176754809.db2.gz PVBIIVXKRXECQN-UHFFFAOYSA-N 1 0 306.397 3.316 10 0 DGAERO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000096628293 1176820304 /nfs/dbraw/zinc/82/03/04/1176820304.db2.gz FWWLDRMTUXCVMI-LBPRGKRZSA-N 1 0 310.825 3.408 10 0 DGAERO Nc1c(Cl)cc(Cl)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000380507495 1176874104 /nfs/dbraw/zinc/87/41/04/1176874104.db2.gz FMVXCEFVSXENFU-UHFFFAOYSA-N 1 0 314.260 3.103 10 0 DGAERO COC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397829203 1177012648 /nfs/dbraw/zinc/01/26/48/1177012648.db2.gz MHBNWLARZWQEGS-STQMWFEESA-N 1 0 314.470 3.083 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1cc(F)ccc1F ZINC000397866408 1177013123 /nfs/dbraw/zinc/01/31/23/1177013123.db2.gz HPDIXQWIXFHYGY-UHFFFAOYSA-N 1 0 314.376 3.359 10 0 DGAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000398116450 1177016319 /nfs/dbraw/zinc/01/63/19/1177016319.db2.gz FXFBNWSGLCTMIG-SLFFLAALSA-N 1 0 318.505 3.284 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1I ZINC000307579422 1177023272 /nfs/dbraw/zinc/02/32/72/1177023272.db2.gz PQPMGOAPELSPSN-SKDRFNHKSA-N 1 0 301.171 3.179 10 0 DGAERO COCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CCC1 ZINC000382002970 1177026129 /nfs/dbraw/zinc/02/61/29/1177026129.db2.gz RKHNTISLKOVYHJ-SJLPKXTDSA-N 1 0 302.462 3.056 10 0 DGAERO CCC[C@@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000382161323 1177027505 /nfs/dbraw/zinc/02/75/05/1177027505.db2.gz SVBDLDDMVMISKE-KBPBESRZSA-N 1 0 302.459 3.085 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1Br ZINC000384972247 1177146462 /nfs/dbraw/zinc/14/64/62/1177146462.db2.gz YDBCXNKLMQXJEY-YVZVNANGSA-N 1 0 304.253 3.475 10 0 DGAERO CCCCOCCC[NH2+]Cc1ncc(Br)s1 ZINC000381384199 1177339290 /nfs/dbraw/zinc/33/92/90/1177339290.db2.gz MBPPOSBUDXBJRH-UHFFFAOYSA-N 1 0 307.257 3.202 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085355643 1177643718 /nfs/dbraw/zinc/64/37/18/1177643718.db2.gz NNSAHVKXMKGTEV-RYUDHWBXSA-N 1 0 311.223 3.214 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085366845 1177712228 /nfs/dbraw/zinc/71/22/28/1177712228.db2.gz ZYMNAARVWMGPAJ-NWDGAFQWSA-N 1 0 300.855 3.268 10 0 DGAERO C=CCN1CCC([NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000088716128 1177873400 /nfs/dbraw/zinc/87/34/00/1177873400.db2.gz YRCXJLWWIAVBQI-XLIONFOSSA-N 1 0 313.489 3.062 10 0 DGAERO CCCNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000062554747 1195253253 /nfs/dbraw/zinc/25/32/53/1195253253.db2.gz JDLAHMKBWNZHDZ-UHFFFAOYSA-N 1 0 315.461 3.193 10 0 DGAERO c1c2ccccc2oc1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000067698078 1195659535 /nfs/dbraw/zinc/65/95/35/1195659535.db2.gz MGWQEBOVHKFXFE-UHFFFAOYSA-N 1 0 310.401 3.083 10 0 DGAERO C[C@H](NCc1cccc2cccnc21)c1nnc2ccccn21 ZINC000073449247 1196158694 /nfs/dbraw/zinc/15/86/94/1196158694.db2.gz ISFXZGJCPYUGBL-ZDUSSCGKSA-N 1 0 303.369 3.128 10 0 DGAERO C[C@H](CCNCc1cn2ccccc2n1)[N@H+](C)Cc1ccccc1 ZINC000080206514 1197045726 /nfs/dbraw/zinc/04/57/26/1197045726.db2.gz KCDKDZHHUMEOII-QGZVFWFLSA-N 1 0 322.456 3.335 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289593 1197193990 /nfs/dbraw/zinc/19/39/90/1197193990.db2.gz ZBFBZGWYYDMTLK-QFBILLFUSA-N 1 0 314.473 3.246 10 0 DGAERO c1nn(-c2ccccc2)nc1CNc1ccc(N2CCCC2)cc1 ZINC000378913748 1197700834 /nfs/dbraw/zinc/70/08/34/1197700834.db2.gz UVRLNAFRWAGWRT-UHFFFAOYSA-N 1 0 319.412 3.480 10 0 DGAERO CCC[C@@H](C[NH2+]C[C@H]1CCCCN1Cc1ccccc1)OC ZINC000379639169 1197703632 /nfs/dbraw/zinc/70/36/32/1197703632.db2.gz AOFTXFOHKKKDCR-MOPGFXCFSA-N 1 0 304.478 3.446 10 0 DGAERO CN(CC[NH2+]C[C@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000386678617 1197707855 /nfs/dbraw/zinc/70/78/55/1197707855.db2.gz HTDRICUIXJIGMX-GOSISDBHSA-N 1 0 310.441 3.274 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCCOCc1ccccc1 ZINC000390112581 1197711583 /nfs/dbraw/zinc/71/15/83/1197711583.db2.gz XWGCWICVKWHFGU-UHFFFAOYSA-N 1 0 322.412 3.168 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]CCNc1ccccc1 ZINC000390102323 1197711858 /nfs/dbraw/zinc/71/18/58/1197711858.db2.gz ANVOOJBWBNLSDG-UHFFFAOYSA-N 1 0 306.413 3.133 10 0 DGAERO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1cc(Br)cs1 ZINC000393916117 1197720562 /nfs/dbraw/zinc/72/05/62/1197720562.db2.gz ITZDQYBSWKCKBB-BXKDBHETSA-N 1 0 303.269 3.035 10 0 DGAERO CCCCOCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000393959846 1197720664 /nfs/dbraw/zinc/72/06/64/1197720664.db2.gz GZAQRWQGMBFAJK-UHFFFAOYSA-N 1 0 302.459 3.086 10 0 DGAERO C[C@H](CCc1ccco1)[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397947711 1197723793 /nfs/dbraw/zinc/72/37/93/1197723793.db2.gz XSWPCLNKEOBQAE-CQSZACIVSA-N 1 0 310.438 3.495 10 0 DGAERO C#CC[NH+]1CCC(C(=O)N[C@H](CC)c2ccc(C)c(F)c2)CC1 ZINC000091743154 1198473025 /nfs/dbraw/zinc/47/30/25/1198473025.db2.gz QFVQNALJXYJMJL-GOSISDBHSA-N 1 0 316.420 3.047 10 0 DGAERO CC[NH+](CC)CCCNCc1cc(F)cc(Br)c1 ZINC000093981585 1198743781 /nfs/dbraw/zinc/74/37/81/1198743781.db2.gz IBMBUDRHGLFMPB-UHFFFAOYSA-N 1 0 317.246 3.410 10 0 DGAERO Brc1cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc2c1OCO2 ZINC000403259440 1199477821 /nfs/dbraw/zinc/47/78/21/1199477821.db2.gz XFTSCMOHUZTNNP-SDDRHHMPSA-N 1 0 324.218 3.456 10 0 DGAERO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@@H+]1CCCCCO ZINC000404326229 1199548427 /nfs/dbraw/zinc/54/84/27/1199548427.db2.gz MQGVOKFMOMYDQU-KSZLIROESA-N 1 0 304.478 3.132 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000404648075 1199575401 /nfs/dbraw/zinc/57/54/01/1199575401.db2.gz PSKOGKFNJMKEGX-QLFBSQMISA-N 1 0 308.466 3.460 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000404687793 1199576658 /nfs/dbraw/zinc/57/66/58/1199576658.db2.gz PSKOGKFNJMKEGX-ILXRZTDVSA-N 1 0 308.466 3.460 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)C1(C)C ZINC000404802259 1199586098 /nfs/dbraw/zinc/58/60/98/1199586098.db2.gz KOKWVHUWUZGXNG-ARILJUKYSA-N 1 0 308.466 3.456 10 0 DGAERO CO[C@](C)(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1CC1 ZINC000309875621 1199711485 /nfs/dbraw/zinc/71/14/85/1199711485.db2.gz VOEWJLYLYQIUKM-SUMWQHHRSA-N 1 0 314.470 3.085 10 0 DGAERO CCSCC[C@H](C)[NH2+]Cc1ccc(Br)nc1 ZINC000309981324 1199711758 /nfs/dbraw/zinc/71/17/58/1199711758.db2.gz WHADSWBOPCJHBP-JTQLQIEISA-N 1 0 303.269 3.465 10 0 DGAERO CCc1nn(C)cc1C[NH2+]CCc1ccc(Br)cc1 ZINC000311471776 1199740995 /nfs/dbraw/zinc/74/09/95/1199740995.db2.gz OTGXGPUUGCGEFL-UHFFFAOYSA-N 1 0 322.250 3.077 10 0 DGAERO CC(C)OCCC[NH2+]Cc1cc(O)ccc1Br ZINC000315491134 1199805969 /nfs/dbraw/zinc/80/59/69/1199805969.db2.gz WXTSTSJZPRLYQX-UHFFFAOYSA-N 1 0 302.212 3.059 10 0 DGAERO c1ccc(-c2cccc(C[NH2+]CCOc3cccnc3)c2)nc1 ZINC000128058108 1200749955 /nfs/dbraw/zinc/74/99/55/1200749955.db2.gz NRZUDXKPFWTAPX-UHFFFAOYSA-N 1 0 305.381 3.312 10 0 DGAERO c1ccc2c(c1)CCN(CC[NH2+]Cc1cccc3cccnc31)C2 ZINC000131091172 1201110439 /nfs/dbraw/zinc/11/04/39/1201110439.db2.gz HLNFZTQPOMNECM-UHFFFAOYSA-N 1 0 317.436 3.383 10 0 DGAERO CCc1oc2ccccc2c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000132732830 1201179631 /nfs/dbraw/zinc/17/96/31/1201179631.db2.gz ZJHJADNFBIUTOV-UHFFFAOYSA-N 1 0 300.402 3.161 10 0 DGAERO COCCOCCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000134024278 1201197453 /nfs/dbraw/zinc/19/74/53/1201197453.db2.gz BPLYKPQFBHMHEV-UHFFFAOYSA-N 1 0 305.340 3.238 10 0 DGAERO CC[S@@](=O)CC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000134637136 1201202801 /nfs/dbraw/zinc/20/28/01/1201202801.db2.gz IKBOZIMQAXESQH-NRFANRHFSA-N 1 0 303.427 3.337 10 0 DGAERO c1nc(C2CCCC2)sc1C[NH2+]CCOC[C@H]1CCCO1 ZINC000136152363 1201209079 /nfs/dbraw/zinc/20/90/79/1201209079.db2.gz RBTUVOFVOGVEEJ-CQSZACIVSA-N 1 0 310.463 3.086 10 0 DGAERO c1ccc(OC2CC[NH+](CCO[C@H]3CCCCO3)CC2)cc1 ZINC000193045682 1201261948 /nfs/dbraw/zinc/26/19/48/1201261948.db2.gz ZRILRHFUTDLJFL-SFHVURJKSA-N 1 0 305.418 3.073 10 0 DGAERO CCOc1ccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000222031012 1202568082 /nfs/dbraw/zinc/56/80/82/1202568082.db2.gz MUSZDKRIMBTHEH-UHFFFAOYSA-N 1 0 322.449 3.432 10 0 DGAERO c1oc(-c2ccccc2)nc1C[NH2+]CCCOC1CCOCC1 ZINC000156330752 1202600442 /nfs/dbraw/zinc/60/04/42/1202600442.db2.gz BAVCLHKJOITQQB-UHFFFAOYSA-N 1 0 316.401 3.017 10 0 DGAERO Cc1sc(C[NH2+]CCOCC2CC2)cc1Br ZINC000235964745 1202605026 /nfs/dbraw/zinc/60/50/26/1202605026.db2.gz BDCAGTFDPNNZCN-UHFFFAOYSA-N 1 0 304.253 3.335 10 0 DGAERO c1nc2ccccn2c1C[NH2+]CCCCOCCc1ccccc1 ZINC000236703191 1202621934 /nfs/dbraw/zinc/62/19/34/1202621934.db2.gz XHOGUEONICBILA-UHFFFAOYSA-N 1 0 323.440 3.463 10 0 DGAERO c1cn(-c2ccccc2C[NH2+]Cc2ccc3c[nH]nc3c2)cn1 ZINC000236776028 1202624431 /nfs/dbraw/zinc/62/44/31/1202624431.db2.gz NIIOLKLTNFEDMY-UHFFFAOYSA-N 1 0 303.369 3.038 10 0 DGAERO COc1ccc(CNCCC[N@H+](C)Cc2ccccc2)cc1F ZINC000237125074 1202649251 /nfs/dbraw/zinc/64/92/51/1202649251.db2.gz CPVURTNBJAZAFR-UHFFFAOYSA-N 1 0 316.420 3.446 10 0 DGAERO CC(C)OC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000186075300 1202893412 /nfs/dbraw/zinc/89/34/12/1202893412.db2.gz IWTAEXNCOPUEST-RBUKOAKNSA-N 1 0 317.404 3.291 10 0 DGAERO Cc1cc(C)c2c(c1)CC[N@@H+](CCC(=O)NC1CCCC1)C2 ZINC000186477363 1202925855 /nfs/dbraw/zinc/92/58/55/1202925855.db2.gz WYBMJHXZQXVNAU-UHFFFAOYSA-N 1 0 300.446 3.110 10 0 DGAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000187918451 1203090481 /nfs/dbraw/zinc/09/04/81/1203090481.db2.gz PVDGKVJTEXFBMH-WOJBJXKFSA-N 1 0 311.425 3.484 10 0 DGAERO COc1ccnc(C[N@H+](C)[C@@H](C)Cc2ccsc2)c1OC ZINC000190631519 1203282281 /nfs/dbraw/zinc/28/22/81/1203282281.db2.gz OITDTLVDSLOXKU-LBPRGKRZSA-N 1 0 306.431 3.223 10 0 DGAERO Cc1cccc(C)c1NC(=O)C[NH2+]CCc1ccc(F)cc1 ZINC000244139948 1203607500 /nfs/dbraw/zinc/60/75/00/1203607500.db2.gz UOSDADPIJUSFKN-UHFFFAOYSA-N 1 0 300.377 3.213 10 0 DGAERO Clc1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cn1 ZINC000245932706 1203702311 /nfs/dbraw/zinc/70/23/11/1203702311.db2.gz VDIGZUQVKKYVJI-UONOGXRCSA-N 1 0 312.866 3.222 10 0 DGAERO O=C(c1ccc2c3c(cccc31)CC2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261926515 1204300434 /nfs/dbraw/zinc/30/04/34/1204300434.db2.gz ZNIHZIXVYPCPEI-CALCHBBNSA-N 1 0 320.436 3.010 10 0 DGAERO Cc1noc([C@@H]([NH2+]CCCOCc2ccccc2)C(C)C)n1 ZINC000183320582 1204345889 /nfs/dbraw/zinc/34/58/89/1204345889.db2.gz WYZBVPSIRWBRFT-INIZCTEOSA-N 1 0 303.406 3.272 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)/C(C)=C\c1ccc(OC)c(F)c1 ZINC000588445062 1082290048 /nfs/dbraw/zinc/29/00/48/1082290048.db2.gz OYPQMRAFBYNPPR-FZDNWWAKSA-N 1 0 322.424 3.084 10 0 DGAERO Cc1cccnc1/C=C\C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000588454791 1082331171 /nfs/dbraw/zinc/33/11/71/1082331171.db2.gz PCOBKNWDDCVNRB-YUIUBULTSA-N 1 0 315.461 3.030 10 0 DGAERO O=C(OCc1ccccc1)N1CC([NH2+][C@@H]2CC[C@@H]3CCC[C@H]23)C1 ZINC000707741136 1082414031 /nfs/dbraw/zinc/41/40/31/1082414031.db2.gz WDVOOSFLKJZAPR-RYQLBKOJSA-N 1 0 314.429 3.176 10 0 DGAERO CC/C=C(/C)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000588553731 1082619194 /nfs/dbraw/zinc/61/91/94/1082619194.db2.gz WHAFMLRUXNSQTF-ACAGNQJTSA-N 1 0 306.837 3.171 10 0 DGAERO C[C@H](C[NH2+][C@H](CCO)C1CCCC1)COCc1ccccc1 ZINC000725076213 1084955571 /nfs/dbraw/zinc/95/55/71/1084955571.db2.gz BXBWUJIAMFKTQZ-VQIMIIECSA-N 1 0 305.462 3.370 10 0 DGAERO CCN1CC[C@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000712610258 1085765632 /nfs/dbraw/zinc/76/56/32/1085765632.db2.gz YGYQJUXQUYVPGH-LBPRGKRZSA-N 1 0 317.658 3.286 10 0 DGAERO C[C@@H](C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000176584437 1088036158 /nfs/dbraw/zinc/03/61/58/1088036158.db2.gz BVFITLOCWBSCNZ-NVXWUHKLSA-N 1 0 301.430 3.488 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000085365928 1091351613 /nfs/dbraw/zinc/35/16/13/1091351613.db2.gz FMNJUJKGXQAKJV-KGLIPLIRSA-N 1 0 301.415 3.266 10 0 DGAERO Cc1nocc1C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400326259 1093885853 /nfs/dbraw/zinc/88/58/53/1093885853.db2.gz CKMBXYVYPVYVCB-LBPRGKRZSA-N 1 0 323.437 3.108 10 0 DGAERO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000305052188 1093943389 /nfs/dbraw/zinc/94/33/89/1093943389.db2.gz ANVKDSFTMRAALN-SNVBAGLBSA-N 1 0 318.230 3.475 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCOCC2)C12CCCC2 ZINC000401378667 1093946442 /nfs/dbraw/zinc/94/64/42/1093946442.db2.gz DDWOEDHAUQSRMF-HNNXBMFYSA-N 1 0 324.465 3.077 10 0 DGAERO Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401688673 1093965190 /nfs/dbraw/zinc/96/51/90/1093965190.db2.gz YYVNAFODEGNTME-CZUORRHYSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401708633 1093966966 /nfs/dbraw/zinc/96/69/66/1093966966.db2.gz CPKNANMLQNVRGT-RFGFWPKPSA-N 1 0 314.495 3.116 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2)CN(C(=O)OC(C)(C)C)C1 ZINC000401722874 1093968668 /nfs/dbraw/zinc/96/86/68/1093968668.db2.gz JYUBJVDEZGKLJC-HZSPNIEDSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401791933 1093972661 /nfs/dbraw/zinc/97/26/61/1093972661.db2.gz WYVNCNRQFNJNCC-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403470884 1094129011 /nfs/dbraw/zinc/12/90/11/1094129011.db2.gz OPNNLMHKCRNEFG-BZUAXINKSA-N 1 0 308.466 3.412 10 0 DGAERO C[C@H]1CC[C@H]([NH2+]Cc2ccns2)CN1C(=O)OC(C)(C)C ZINC000404322105 1094254313 /nfs/dbraw/zinc/25/43/13/1094254313.db2.gz JYZPTWVRFAVOEC-RYUDHWBXSA-N 1 0 311.451 3.021 10 0 DGAERO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccns1 ZINC000404434017 1094257003 /nfs/dbraw/zinc/25/70/03/1094257003.db2.gz PSXPEYABUUMVQU-LBPRGKRZSA-N 1 0 311.451 3.022 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]Cc2ccns2)CC1 ZINC000404421637 1094257259 /nfs/dbraw/zinc/25/72/59/1094257259.db2.gz CIDLAVOYLYWSIP-CYBMUJFWSA-N 1 0 323.462 3.022 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccoc2)C12CCC2 ZINC000404478833 1094258510 /nfs/dbraw/zinc/25/85/10/1094258510.db2.gz AGQMKINOUXKYTI-KBPBESRZSA-N 1 0 306.406 3.205 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)C12CCC2 ZINC000404594594 1094262427 /nfs/dbraw/zinc/26/24/27/1094262427.db2.gz ADDSTLOFEWKQCZ-SOUVJXGZSA-N 1 0 322.449 3.105 10 0 DGAERO COC[C@@H](C)[NH2+]Cc1ccccc1CN(C)C(=O)OC(C)(C)C ZINC000404598377 1094262569 /nfs/dbraw/zinc/26/25/69/1094262569.db2.gz GCLMYUUQTGAUKQ-CQSZACIVSA-N 1 0 322.449 3.178 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)CS1 ZINC000404702417 1094266524 /nfs/dbraw/zinc/26/65/24/1094266524.db2.gz ZKKOPICQJXHXKI-STQMWFEESA-N 1 0 314.495 3.165 10 0 DGAERO Cc1ccc(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)nc1 ZINC000404745828 1094267781 /nfs/dbraw/zinc/26/77/81/1094267781.db2.gz FIQZFUGUZFPTBQ-UHFFFAOYSA-N 1 0 319.449 3.175 10 0 DGAERO CC(C)(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404800530 1094269110 /nfs/dbraw/zinc/26/91/10/1094269110.db2.gz JTQGRMBPLSYPLI-QWHCGFSZSA-N 1 0 314.470 3.083 10 0 DGAERO COCCCCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404864947 1094271113 /nfs/dbraw/zinc/27/11/13/1094271113.db2.gz BACRJVMUMRDWGL-KBPBESRZSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C12CCC2 ZINC000405207932 1094308450 /nfs/dbraw/zinc/30/84/50/1094308450.db2.gz GXYNWZOCCDLAKP-MNOVXSKESA-N 1 0 322.371 3.364 10 0 DGAERO c1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc2c1OCO2 ZINC000316884916 1095198755 /nfs/dbraw/zinc/19/87/55/1095198755.db2.gz AVBYNRVSXKSGQC-HNNXBMFYSA-N 1 0 303.402 3.387 10 0 DGAERO Cc1nc2cc(NC(=O)[C@@H]([NH3+])CC3CCCCC3)ccc2o1 ZINC000262552913 1099063971 /nfs/dbraw/zinc/06/39/71/1099063971.db2.gz STPKVSPCXRPIQT-AWEZNQCLSA-N 1 0 301.390 3.372 10 0 DGAERO CC[C@](C)(O)C[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719532719 1104941804 /nfs/dbraw/zinc/94/18/04/1104941804.db2.gz DXXIDNRLWLHJRI-AWEZNQCLSA-N 1 0 300.240 3.317 10 0 DGAERO CCC1(CC)CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724112756 1106628500 /nfs/dbraw/zinc/62/85/00/1106628500.db2.gz ZKLJVLBVXYUCPM-SNVBAGLBSA-N 1 0 303.315 3.447 10 0 DGAERO CS[C@@H](C)C[NH2+]Cc1ccccc1I ZINC000379664664 1108038118 /nfs/dbraw/zinc/03/81/18/1108038118.db2.gz VDLJLJGZVIISIU-VIFPVBQESA-N 1 0 321.227 3.132 10 0 DGAERO CCCn1cncc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000381056317 1108089863 /nfs/dbraw/zinc/08/98/63/1108089863.db2.gz IROUAHUNCMVBEY-VQIMIIECSA-N 1 0 312.461 3.046 10 0 DGAERO Oc1cccc(C[NH2+]CCc2ccc(Br)cc2)c1 ZINC000385221395 1108349396 /nfs/dbraw/zinc/34/93/96/1108349396.db2.gz BPOGOINCEKSILM-UHFFFAOYSA-N 1 0 306.203 3.487 10 0 DGAERO C[NH+](C)CCCC(C)(C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000387356717 1108459055 /nfs/dbraw/zinc/45/90/55/1108459055.db2.gz TYKFPWFUYMORFL-UHFFFAOYSA-N 1 0 300.790 3.176 10 0 DGAERO c1ccc2c(c1)cncc2C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000393456715 1109017294 /nfs/dbraw/zinc/01/72/94/1109017294.db2.gz PVQYZVPEKNLEPL-INIZCTEOSA-N 1 0 306.365 3.164 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000090226864 282106899 /nfs/dbraw/zinc/10/68/99/282106899.db2.gz YAHUFEDXWLMWNB-IAGOWNOFSA-N 1 0 316.424 3.417 10 0 DGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306340 185164312 /nfs/dbraw/zinc/16/43/12/185164312.db2.gz GKSSLNNKXSQZRR-MELADBBJSA-N 1 0 322.449 3.048 10 0 DGAERO NNc1cc(C2CC2)nc(-c2ccccc2Br)[nH+]1 ZINC000082431204 185181879 /nfs/dbraw/zinc/18/18/79/185181879.db2.gz HHDQTSOYPNUHQQ-UHFFFAOYSA-N 1 0 305.179 3.069 10 0 DGAERO COCC[C@H](COC)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000310776605 231114424 /nfs/dbraw/zinc/11/44/24/231114424.db2.gz ARIVHVJEBAODQH-SMDDNHRTSA-N 1 0 316.239 3.151 10 0 DGAERO [NH3+]CCc1nc(-c2cc(Br)ccc2F)cs1 ZINC000083256184 185221701 /nfs/dbraw/zinc/22/17/01/185221701.db2.gz JAZJCBQXSRXJCI-UHFFFAOYSA-N 1 0 301.184 3.213 10 0 DGAERO CCc1c(C)[nH+]c2ccccc2c1NC[C@@]1(CCO)CCOC1 ZINC000302025920 529491930 /nfs/dbraw/zinc/49/19/30/529491930.db2.gz HWEZELRLBZPWKT-LJQANCHMSA-N 1 0 314.429 3.307 10 0 DGAERO CCc1cc(C(=O)NCc2ccccc2C[NH+](C)C)oc1CC ZINC000178366215 529518569 /nfs/dbraw/zinc/51/85/69/529518569.db2.gz KXCDJVHUBFRGHC-UHFFFAOYSA-N 1 0 314.429 3.396 10 0 DGAERO CCc1cc(N2CCN(CC(F)F)CC2)c2ccccc2[nH+]1 ZINC000301780085 529535029 /nfs/dbraw/zinc/53/50/29/529535029.db2.gz ILVQLDYIOZXPJE-UHFFFAOYSA-N 1 0 305.372 3.184 10 0 DGAERO COc1cc(C[NH2+]CCC2CC2)cc(Br)c1O ZINC000088455138 185251606 /nfs/dbraw/zinc/25/16/06/185251606.db2.gz UKIPZZYIJQJIJL-UHFFFAOYSA-N 1 0 300.196 3.053 10 0 DGAERO COc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1F ZINC000090200417 185286841 /nfs/dbraw/zinc/28/68/41/185286841.db2.gz DQTJULPVAQQGAQ-CQSZACIVSA-N 1 0 322.424 3.076 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(Br)c1 ZINC000090513590 185299897 /nfs/dbraw/zinc/29/98/97/185299897.db2.gz DAOVLNSQPPDJTO-PSVSLLHZSA-N 1 0 318.280 3.257 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(-c2cccnc2)cc1 ZINC000181320571 199280922 /nfs/dbraw/zinc/28/09/22/199280922.db2.gz UKMXGYYSICRWKA-AWEZNQCLSA-N 1 0 311.429 3.314 10 0 DGAERO COc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000090666716 185308540 /nfs/dbraw/zinc/30/85/40/185308540.db2.gz WFDCOPJFKWVNPI-JTQLQIEISA-N 1 0 313.323 3.298 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000092510448 185323330 /nfs/dbraw/zinc/32/33/30/185323330.db2.gz IHDNUUNQFFTHCO-UABRLCRWSA-N 1 0 304.409 3.172 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1OC ZINC000092510330 185323342 /nfs/dbraw/zinc/32/33/42/185323342.db2.gz YRDAYZZGFDVIHR-YRYLYKBFSA-N 1 0 316.445 3.041 10 0 DGAERO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cn1 ZINC000092788996 185341269 /nfs/dbraw/zinc/34/12/69/185341269.db2.gz WKXNBJZMTMLTIC-CQSZACIVSA-N 1 0 304.463 3.474 10 0 DGAERO COc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000092755008 185338134 /nfs/dbraw/zinc/33/81/34/185338134.db2.gz JUQZCDPLSRXOLH-HNNXBMFYSA-N 1 0 318.461 3.068 10 0 DGAERO CCCN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063789853 432006876 /nfs/dbraw/zinc/00/68/76/432006876.db2.gz PTORYKUCIUMGFK-KRWDZBQOSA-N 1 0 303.450 3.093 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000092929544 185349616 /nfs/dbraw/zinc/34/96/16/185349616.db2.gz GBHTYWGKZIHJAN-STQMWFEESA-N 1 0 307.825 3.349 10 0 DGAERO CN(C[C@H]1CCC[N@H+](C)C1)c1ccnc2c(F)cc(F)cc12 ZINC000302538726 529966123 /nfs/dbraw/zinc/96/61/23/529966123.db2.gz SDALDWCAJXGLSY-LBPRGKRZSA-N 1 0 305.372 3.291 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1CCO[C@@H]1CCCCO1)c1ccccc1 ZINC000181726278 199344684 /nfs/dbraw/zinc/34/46/84/199344684.db2.gz JVFURGOHSRMWTM-GUDVDZBRSA-N 1 0 319.445 3.118 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2ccc(Cl)c3cccnc23)CC1 ZINC000068079675 190746933 /nfs/dbraw/zinc/74/69/33/190746933.db2.gz YWLUODQGAPNISC-UHFFFAOYSA-N 1 0 317.820 3.054 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1cccc(CO)c1)NC(=O)OC(C)(C)C ZINC000183291637 199568428 /nfs/dbraw/zinc/56/84/28/199568428.db2.gz LVMMUOIKYVLVMY-KGLIPLIRSA-N 1 0 322.449 3.133 10 0 DGAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000066391674 432015803 /nfs/dbraw/zinc/01/58/03/432015803.db2.gz CVMPJHSZWDDFBP-MNOVXSKESA-N 1 0 300.805 3.290 10 0 DGAERO CCCCOc1ccc(OC)cc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236641577 201944477 /nfs/dbraw/zinc/94/44/77/201944477.db2.gz RPAOILJUSGHIQW-UONOGXRCSA-N 1 0 320.433 3.330 10 0 DGAERO C[C@@H]1CC[C@H](CC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000130246170 432018905 /nfs/dbraw/zinc/01/89/05/432018905.db2.gz GBZMAICARCECCX-KGLIPLIRSA-N 1 0 306.425 3.330 10 0 DGAERO CSCCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000066676490 432019285 /nfs/dbraw/zinc/01/92/85/432019285.db2.gz BKTKMXIHGHPGCQ-UHFFFAOYSA-N 1 0 320.502 3.110 10 0 DGAERO c1cc(C[N@@H+]2CCCC3(CCOCC3)C2)n(-c2ccccc2)n1 ZINC000279775933 215136925 /nfs/dbraw/zinc/13/69/25/215136925.db2.gz GYJUNGBWUFUDIC-UHFFFAOYSA-N 1 0 311.429 3.265 10 0 DGAERO C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279801930 215158241 /nfs/dbraw/zinc/15/82/41/215158241.db2.gz WEQOXWACEREBIK-RDJZCZTQSA-N 1 0 318.461 3.464 10 0 DGAERO c1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)n(-c2ccccc2)n1 ZINC000279797747 215154708 /nfs/dbraw/zinc/15/47/08/215154708.db2.gz JHVNXWROHOEBOA-IBGZPJMESA-N 1 0 311.429 3.263 10 0 DGAERO Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c(C)s1 ZINC000037142567 545672958 /nfs/dbraw/zinc/67/29/58/545672958.db2.gz QJWYJNXEVWCGFM-NSHDSACASA-N 1 0 309.479 3.058 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000080482273 192161642 /nfs/dbraw/zinc/16/16/42/192161642.db2.gz ZHWHOCFLXNQKJT-CQSZACIVSA-N 1 0 321.490 3.275 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(F)c(Cl)cc1Cl ZINC000084059591 192397204 /nfs/dbraw/zinc/39/72/04/192397204.db2.gz QRAITRKAYVEUSQ-BDAKNGLRSA-N 1 0 319.207 3.404 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1Cl ZINC000084061532 192398843 /nfs/dbraw/zinc/39/88/43/192398843.db2.gz VGLKQUMSZIXLIL-MWLCHTKSSA-N 1 0 301.217 3.265 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Cl)cc1Cl ZINC000084061545 192399428 /nfs/dbraw/zinc/39/94/28/192399428.db2.gz HHGBKFGFWBTRRA-MWLCHTKSSA-N 1 0 301.217 3.265 10 0 DGAERO C[C@H](c1cccc(Br)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246619017 290245151 /nfs/dbraw/zinc/24/51/51/290245151.db2.gz XOZOJXKUSCGGGW-DOMZBBRYSA-N 1 0 309.251 3.290 10 0 DGAERO Cc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1Br ZINC000130412999 432024254 /nfs/dbraw/zinc/02/42/54/432024254.db2.gz IZMPPMDFGQBMIF-GFCCVEGCSA-N 1 0 312.251 3.350 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000149221984 186048189 /nfs/dbraw/zinc/04/81/89/186048189.db2.gz QSGQTOHLUTYYGP-VBQJREDUSA-N 1 0 307.459 3.401 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000149364480 186049511 /nfs/dbraw/zinc/04/95/11/186049511.db2.gz INKZQSKFRBKBDT-JZURETHJSA-N 1 0 310.235 3.462 10 0 DGAERO CCC(=O)c1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000152492325 186078625 /nfs/dbraw/zinc/07/86/25/186078625.db2.gz JQAQABXAMMLQIS-INIZCTEOSA-N 1 0 317.433 3.227 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(-c2ccncc2)c1 ZINC000152505954 186079950 /nfs/dbraw/zinc/07/99/50/186079950.db2.gz YALDTGLLTJFFDH-KDOFPFPSSA-N 1 0 309.413 3.020 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(-c2ccncc2)c1 ZINC000152505670 186080085 /nfs/dbraw/zinc/08/00/85/186080085.db2.gz YALDTGLLTJFFDH-KBXCAEBGSA-N 1 0 309.413 3.020 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000173306734 186174771 /nfs/dbraw/zinc/17/47/71/186174771.db2.gz YSNNCPGPDISOCT-CHWSQXEVSA-N 1 0 316.367 3.077 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000164266804 186154014 /nfs/dbraw/zinc/15/40/14/186154014.db2.gz JPXCAGNFZLVPQF-QWRGUYRKSA-N 1 0 304.253 3.151 10 0 DGAERO CC(C)N(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000175635082 186183199 /nfs/dbraw/zinc/18/31/99/186183199.db2.gz KHQABPXRSWZYAV-UHFFFAOYSA-N 1 0 315.461 3.365 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3ccccc3)o2)C1 ZINC000188016744 186244723 /nfs/dbraw/zinc/24/47/23/186244723.db2.gz ONUDFSOUINRTOI-KDOFPFPSSA-N 1 0 300.402 3.325 10 0 DGAERO COCc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000186062958 186237402 /nfs/dbraw/zinc/23/74/02/186237402.db2.gz HQGDXGSYIXCVJG-HNNXBMFYSA-N 1 0 319.449 3.219 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2nc3ccccc3n2C(F)F)C1 ZINC000187982456 186239395 /nfs/dbraw/zinc/23/93/95/186239395.db2.gz VOYIXYHXIFAAOV-SJKOYZFVSA-N 1 0 323.387 3.414 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000191833983 186260548 /nfs/dbraw/zinc/26/05/48/186260548.db2.gz CRRCDXWRIQNXTG-ZJNRKIDTSA-N 1 0 317.408 3.395 10 0 DGAERO FC(F)(F)c1ccc(SCCC[NH+]2CCCCC2)nn1 ZINC000191840641 186262107 /nfs/dbraw/zinc/26/21/07/186262107.db2.gz AUXLAPWXOHBHMZ-UHFFFAOYSA-N 1 0 305.369 3.464 10 0 DGAERO C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000237466332 186294002 /nfs/dbraw/zinc/29/40/02/186294002.db2.gz RVADJIWWPCHSOS-ABAIWWIYSA-N 1 0 314.351 3.415 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000130486002 432025701 /nfs/dbraw/zinc/02/57/01/432025701.db2.gz HQGJOOVFNSAKQY-BZNIZROVSA-N 1 0 307.340 3.358 10 0 DGAERO O=C(Nc1ccc2cc[nH]c2c1)NC1CC[NH+](CC2CC2)CC1 ZINC000194248512 186272417 /nfs/dbraw/zinc/27/24/17/186272417.db2.gz VKAGWFZJTNFRKQ-UHFFFAOYSA-N 1 0 312.417 3.164 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000130513687 432026642 /nfs/dbraw/zinc/02/66/42/432026642.db2.gz APKQHXGNZPMFCZ-YOEHRIQHSA-N 1 0 315.413 3.396 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccc(F)c(Cl)c1 ZINC000171974349 198018989 /nfs/dbraw/zinc/01/89/89/198018989.db2.gz UOKHPZHGAALLOC-JTQLQIEISA-N 1 0 310.756 3.039 10 0 DGAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCCC2)cc1OC ZINC000172168741 198051157 /nfs/dbraw/zinc/05/11/57/198051157.db2.gz FUIKPPWABWBWFW-CHWSQXEVSA-N 1 0 320.433 3.199 10 0 DGAERO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000172170666 198051895 /nfs/dbraw/zinc/05/18/95/198051895.db2.gz OGGOGVZQQQKXEE-CHWSQXEVSA-N 1 0 320.433 3.199 10 0 DGAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCCC2)c(OC)c1 ZINC000172170081 198052043 /nfs/dbraw/zinc/05/20/43/198052043.db2.gz AYCPDZRGYSFZBZ-OLZOCXBDSA-N 1 0 320.433 3.199 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000172535963 198111407 /nfs/dbraw/zinc/11/14/07/198111407.db2.gz FWPPZJNOPDACFX-CQSZACIVSA-N 1 0 304.463 3.090 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1cccs1 ZINC000172603804 198122552 /nfs/dbraw/zinc/12/25/52/198122552.db2.gz YTHVLCVCLOWLLO-NEPJUHHUSA-N 1 0 306.406 3.243 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000172622511 198126894 /nfs/dbraw/zinc/12/68/94/198126894.db2.gz GLDIBDDRNGFXHU-BPQIPLTHSA-N 1 0 314.473 3.438 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2Cl)o1 ZINC000072522441 191186859 /nfs/dbraw/zinc/18/68/59/191186859.db2.gz IEKASIVOPRURGD-OAHLLOKOSA-N 1 0 323.820 3.251 10 0 DGAERO CCCC[C@H](CCC)CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000130807724 432029928 /nfs/dbraw/zinc/02/99/28/432029928.db2.gz GDMSGVMFLAMYOE-IRXDYDNUSA-N 1 0 307.482 3.249 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000173306706 198206150 /nfs/dbraw/zinc/20/61/50/198206150.db2.gz YSNNCPGPDISOCT-OLZOCXBDSA-N 1 0 316.367 3.077 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000173465035 198217419 /nfs/dbraw/zinc/21/74/19/198217419.db2.gz QSYRJBJVZCUOKJ-GJZGRUSLSA-N 1 0 307.438 3.022 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N[C@@H]1COc2ccccc21 ZINC000107350075 432031206 /nfs/dbraw/zinc/03/12/06/432031206.db2.gz RPSBJZSKYCNWBD-MRXNPFEDSA-N 1 0 304.434 3.139 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H](C)Cc1ccccc1OC ZINC000107345706 432031128 /nfs/dbraw/zinc/03/11/28/432031128.db2.gz QMNZDSBWDOOOAQ-JKSUJKDBSA-N 1 0 320.477 3.110 10 0 DGAERO Cn1ncc(Cl)c1C[NH2+]CCCCOCc1ccccc1 ZINC000130939340 432031193 /nfs/dbraw/zinc/03/11/93/432031193.db2.gz MKTSZIIFEBIQMM-UHFFFAOYSA-N 1 0 307.825 3.160 10 0 DGAERO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccnc1 ZINC000173693943 198241770 /nfs/dbraw/zinc/24/17/70/198241770.db2.gz FCQCMRKQOKHPRX-INIZCTEOSA-N 1 0 323.440 3.097 10 0 DGAERO CC(C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)[NH+]1CCC(C)CC1 ZINC000173939857 198271073 /nfs/dbraw/zinc/27/10/73/198271073.db2.gz LCLQVERVACETKR-WMZOPIPTSA-N 1 0 317.477 3.058 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccncc1 ZINC000173988408 198277629 /nfs/dbraw/zinc/27/76/29/198277629.db2.gz RIYJBPODSCYUHX-HNNXBMFYSA-N 1 0 309.413 3.449 10 0 DGAERO CC(C)OCCN1CCC([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182067426 199382107 /nfs/dbraw/zinc/38/21/07/199382107.db2.gz ZNFHJCUFUKWLOW-GOSISDBHSA-N 1 0 318.505 3.344 10 0 DGAERO CC(C)[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Cl)cc1F ZINC000182089285 199385618 /nfs/dbraw/zinc/38/56/18/199385618.db2.gz PIZZADASSYUISK-MLGOLLRUSA-N 1 0 312.816 3.387 10 0 DGAERO O=C(CCCc1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107525250 432032999 /nfs/dbraw/zinc/03/29/99/432032999.db2.gz NTWYYKYJLIFVPG-LJQANCHMSA-N 1 0 314.473 3.486 10 0 DGAERO O=C(Cc1ccccc1Cl)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107527029 432033129 /nfs/dbraw/zinc/03/31/29/432033129.db2.gz LJWRESIOAGNSFF-INIZCTEOSA-N 1 0 320.864 3.359 10 0 DGAERO Cc1ccc(F)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174400042 198331163 /nfs/dbraw/zinc/33/11/63/198331163.db2.gz AHLFZFRQTUEKEZ-GOOCMWNKSA-N 1 0 305.397 3.271 10 0 DGAERO CC(C)CCSCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107526005 432033332 /nfs/dbraw/zinc/03/33/32/432033332.db2.gz BIRHJKFUTBIASQ-INIZCTEOSA-N 1 0 312.523 3.243 10 0 DGAERO Cc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1C ZINC000107531369 432033555 /nfs/dbraw/zinc/03/35/55/432033555.db2.gz BDIVXMBKCVMMKS-KRWDZBQOSA-N 1 0 300.446 3.394 10 0 DGAERO O=C(c1ccc(Cl)s1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529239 432033384 /nfs/dbraw/zinc/03/33/84/432033384.db2.gz VBRIKMAEUVGYBF-LBPRGKRZSA-N 1 0 312.866 3.492 10 0 DGAERO CCCOc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174580177 198354722 /nfs/dbraw/zinc/35/47/22/198354722.db2.gz RWERSHJOPLIPAZ-CABCVRRESA-N 1 0 319.449 3.422 10 0 DGAERO CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000182122983 199389124 /nfs/dbraw/zinc/38/91/24/199389124.db2.gz ZIOIGXFWZRTPRP-GUYCJALGSA-N 1 0 310.388 3.262 10 0 DGAERO O=C(CCc1ccc(F)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107531179 432033850 /nfs/dbraw/zinc/03/38/50/432033850.db2.gz FYSXHXRSNJZGCU-GOSISDBHSA-N 1 0 318.436 3.235 10 0 DGAERO CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174677272 198369860 /nfs/dbraw/zinc/36/98/60/198369860.db2.gz KPTCILBLECJYEV-KBAYOESNSA-N 1 0 317.477 3.132 10 0 DGAERO Cc1ccccc1CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107530239 432034000 /nfs/dbraw/zinc/03/40/00/432034000.db2.gz OTSMVFXNGITYHR-SFHVURJKSA-N 1 0 300.446 3.014 10 0 DGAERO Cc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000182146368 199393851 /nfs/dbraw/zinc/39/38/51/199393851.db2.gz WBGISZLSPMVIJN-JZXOWHBKSA-N 1 0 302.462 3.115 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000107541494 432034126 /nfs/dbraw/zinc/03/41/26/432034126.db2.gz QBYCDCAPSBZUDU-SFHVURJKSA-N 1 0 307.397 3.201 10 0 DGAERO O=C(CCc1ccc(F)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107531177 432034147 /nfs/dbraw/zinc/03/41/47/432034147.db2.gz FYSXHXRSNJZGCU-SFHVURJKSA-N 1 0 318.436 3.235 10 0 DGAERO O[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000182170027 199397221 /nfs/dbraw/zinc/39/72/21/199397221.db2.gz JIVRYICZRCMIOB-GJZGRUSLSA-N 1 0 301.352 3.254 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)Cc1cn2ccsc2n1 ZINC000179051822 432036083 /nfs/dbraw/zinc/03/60/83/432036083.db2.gz VQUUDYQJUADISR-UHFFFAOYSA-N 1 0 306.460 3.305 10 0 DGAERO CCC[N@H+](C(C)C)[C@@H]1COc2cccc(C(=O)NC(C)C)c2C1 ZINC000003623449 181042360 /nfs/dbraw/zinc/04/23/60/181042360.db2.gz UEAKCKJAKUFIQP-HNNXBMFYSA-N 1 0 318.461 3.249 10 0 DGAERO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000236785226 202008397 /nfs/dbraw/zinc/00/83/97/202008397.db2.gz QVGFCJOWRMISBX-GYSYKLTISA-N 1 0 316.367 3.297 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000236801991 202017867 /nfs/dbraw/zinc/01/78/67/202017867.db2.gz ADBGIIHGLIKZIJ-JQFCIGGWSA-N 1 0 302.418 3.333 10 0 DGAERO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(Cl)nc1 ZINC000179105476 432040983 /nfs/dbraw/zinc/04/09/83/432040983.db2.gz DEQKTJCUFWKAHH-CYBMUJFWSA-N 1 0 316.836 3.450 10 0 DGAERO C[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000107762367 432041283 /nfs/dbraw/zinc/04/12/83/432041283.db2.gz DFKPZGFLGMMALE-PMACEKPBSA-N 1 0 322.452 3.496 10 0 DGAERO Clc1sc(C[NH2+][C@H]2CCCOC2)cc1Br ZINC000276994705 213227764 /nfs/dbraw/zinc/22/77/64/213227764.db2.gz XEUYOPKRLMCRPJ-ZETCQYMHSA-N 1 0 310.644 3.433 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnc2ccc(F)cc2c1 ZINC000179122194 432043569 /nfs/dbraw/zinc/04/35/69/432043569.db2.gz AXWJXCCNCAIQDM-MRXNPFEDSA-N 1 0 317.408 3.080 10 0 DGAERO Cc1nc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)s1 ZINC000179127437 432043678 /nfs/dbraw/zinc/04/36/78/432043678.db2.gz LGJYSAVZIABNQI-CHWSQXEVSA-N 1 0 323.506 3.248 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@H+](CCOC)CC(C)C ZINC000073616678 191331732 /nfs/dbraw/zinc/33/17/32/191331732.db2.gz HDGJVNVOQFCNDM-UHFFFAOYSA-N 1 0 320.477 3.354 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000073562606 191327771 /nfs/dbraw/zinc/32/77/71/191327771.db2.gz MZPLXJWHXWQNLI-ZWKOTPCHSA-N 1 0 300.446 3.027 10 0 DGAERO C[C@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1[NH+]1CCCCC1 ZINC000073655111 191336098 /nfs/dbraw/zinc/33/60/98/191336098.db2.gz YVVMILIUYICIJG-DOTOQJQBSA-N 1 0 302.418 3.382 10 0 DGAERO C[C@H]1C[C@H]([NH+]2CCCC2)CCN1C(=O)OCc1ccccc1 ZINC000073657199 191338257 /nfs/dbraw/zinc/33/82/57/191338257.db2.gz XXLKAMDVAZUVLR-DOTOQJQBSA-N 1 0 302.418 3.272 10 0 DGAERO CCc1nc(-c2ccc(Cl)cc2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000073684164 191341524 /nfs/dbraw/zinc/34/15/24/191341524.db2.gz RUADQLJEZCRXLW-AWEZNQCLSA-N 1 0 316.836 3.205 10 0 DGAERO Clc1ccc2nc(Cl)nc(NC[C@H]3CCC[NH2+]C3)c2c1 ZINC000073735564 191349277 /nfs/dbraw/zinc/34/92/77/191349277.db2.gz DNMBTWCZZNQHIO-VIFPVBQESA-N 1 0 311.216 3.348 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000177098680 198666883 /nfs/dbraw/zinc/66/68/83/198666883.db2.gz XNTNBNUVKUKWLI-GXTWGEPZSA-N 1 0 307.825 3.349 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000164305740 432047572 /nfs/dbraw/zinc/04/75/72/432047572.db2.gz IBJUYQYWSUKNBR-WFASDCNBSA-N 1 0 309.841 3.499 10 0 DGAERO CCc1ccccc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000077849544 191785464 /nfs/dbraw/zinc/78/54/64/191785464.db2.gz IREJSUAXZSQRDO-UHFFFAOYSA-N 1 0 315.461 3.019 10 0 DGAERO Cc1nc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)s1 ZINC000179201316 432049315 /nfs/dbraw/zinc/04/93/15/432049315.db2.gz HPPBMBIPYXCJPA-BDJLRTHQSA-N 1 0 309.479 3.000 10 0 DGAERO CC[C@H](N[C@H]1CCCn2ncnc21)c1ccc(OC(F)F)cc1 ZINC000164775791 432051908 /nfs/dbraw/zinc/05/19/08/432051908.db2.gz VOJVWHVNTSYETC-KBPBESRZSA-N 1 0 322.359 3.455 10 0 DGAERO C[N@@H+]1CC[C@H](Nc2ccc(C(F)(F)F)nn2)[C@@H]1c1ccccc1 ZINC000179335750 283142958 /nfs/dbraw/zinc/14/29/58/283142958.db2.gz LKOUCDWOKADBLB-WFASDCNBSA-N 1 0 322.334 3.353 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(Cl)c2F)C1 ZINC000164908834 432053213 /nfs/dbraw/zinc/05/32/13/432053213.db2.gz CBEQGSMYFFEBDL-MFKMUULPSA-N 1 0 313.804 3.329 10 0 DGAERO CC[N@H+](CCc1ccccc1)Cc1cnc2nc(C)cc(C)n12 ZINC000179302697 432053475 /nfs/dbraw/zinc/05/34/75/432053475.db2.gz LGXMIZSTXAXLSI-UHFFFAOYSA-N 1 0 308.429 3.411 10 0 DGAERO Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@H]1CCCOC1 ZINC000179316617 432053650 /nfs/dbraw/zinc/05/36/50/432053650.db2.gz UQYPWWWCJOQRAU-ZANVPECISA-N 1 0 314.198 3.344 10 0 DGAERO CC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1nccs1 ZINC000080262729 192018096 /nfs/dbraw/zinc/01/80/96/192018096.db2.gz JKQMMXOXFWPASC-CQSZACIVSA-N 1 0 302.447 3.248 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NCC[N@@H+](C)C(C)C ZINC000080259250 192018203 /nfs/dbraw/zinc/01/82/03/192018203.db2.gz BZWVREXWQHLHLC-UHFFFAOYSA-N 1 0 309.479 3.179 10 0 DGAERO CC[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000080717751 192185396 /nfs/dbraw/zinc/18/53/96/192185396.db2.gz JROAROUZHHVTNL-FBVQUNGASA-N 1 0 300.446 3.312 10 0 DGAERO C[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccc(Cl)nc1 ZINC000080913338 192200512 /nfs/dbraw/zinc/20/05/12/192200512.db2.gz ZGSUSMJCCDGCBC-UHFFFAOYSA-N 1 0 321.783 3.335 10 0 DGAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000179436367 432058648 /nfs/dbraw/zinc/05/86/48/432058648.db2.gz GKXWGBNTOWIPDC-GXTWGEPZSA-N 1 0 316.376 3.172 10 0 DGAERO CCC(O)(CC)C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000236857378 202038404 /nfs/dbraw/zinc/03/84/04/202038404.db2.gz PEKZMCQFUXLWDL-UHFFFAOYSA-N 1 0 305.340 3.268 10 0 DGAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000236955716 202092301 /nfs/dbraw/zinc/09/23/01/202092301.db2.gz BYDKEPHEYBPMSY-HNNXBMFYSA-N 1 0 315.442 3.440 10 0 DGAERO CCc1ccc(C(=O)CCC(=O)N[C@](C)(C[NH3+])CC(C)C)cc1 ZINC000236962270 202095081 /nfs/dbraw/zinc/09/50/81/202095081.db2.gz YBTHDMUADKLMNE-IBGZPJMESA-N 1 0 318.461 3.092 10 0 DGAERO CCc1ccc(C(=O)CCC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000236961624 202095122 /nfs/dbraw/zinc/09/51/22/202095122.db2.gz SNOPWWRENMTSSH-QGZVFWFLSA-N 1 0 318.461 3.044 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CCOc1ccc(F)cc1 ZINC000237037098 202131092 /nfs/dbraw/zinc/13/10/92/202131092.db2.gz YXAVTUHZLJLJPX-UHFFFAOYSA-N 1 0 316.376 3.343 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(Nc3ccccc3)nc2)C1 ZINC000166785219 432062513 /nfs/dbraw/zinc/06/25/13/432062513.db2.gz KYUFFXAWNVQSJQ-ZIAGYGMSSA-N 1 0 310.401 3.281 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000237184117 202181217 /nfs/dbraw/zinc/18/12/17/202181217.db2.gz MLKXLEDOUQVLTN-ZIAGYGMSSA-N 1 0 304.434 3.358 10 0 DGAERO C[C@H]1CCC[C@@H](C[N@H+](C)C2CCN(CCn3cccn3)CC2)C1 ZINC000133391466 432063434 /nfs/dbraw/zinc/06/34/34/432063434.db2.gz BROHPXFTOSNTND-ZWKOTPCHSA-N 1 0 318.509 3.106 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000179586070 432063643 /nfs/dbraw/zinc/06/36/43/432063643.db2.gz AYVWHWMCCQBCIP-UHFFFAOYSA-N 1 0 312.413 3.467 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(-c2ccncc2)n1 ZINC000179623403 432064375 /nfs/dbraw/zinc/06/43/75/432064375.db2.gz YJVGSPNOVWGZDA-CQSZACIVSA-N 1 0 324.350 3.256 10 0 DGAERO CC(C)OCCC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000179644331 432065317 /nfs/dbraw/zinc/06/53/17/432065317.db2.gz GNWOPVIRVLIQIT-INIZCTEOSA-N 1 0 308.441 3.319 10 0 DGAERO CCn1cc([C@@H](C)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)cn1 ZINC000167489507 432065512 /nfs/dbraw/zinc/06/55/12/432065512.db2.gz VBYASWFSXXDRBI-OCCSQVGLSA-N 1 0 320.387 3.111 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(Br)cn1 ZINC000564784626 315199316 /nfs/dbraw/zinc/19/93/16/315199316.db2.gz JCLUNISDRNXQNY-DMDPSCGWSA-N 1 0 313.239 3.046 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C1CCCC1 ZINC000168469182 432068363 /nfs/dbraw/zinc/06/83/63/432068363.db2.gz QZYNTUVMJLRPOM-NEPJUHHUSA-N 1 0 313.438 3.459 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc1NC(C)=O ZINC000168701445 432070149 /nfs/dbraw/zinc/07/01/49/432070149.db2.gz HGVMCKQOKOOJAV-BXUZGUMPSA-N 1 0 308.447 3.200 10 0 DGAERO C[C@]1(c2nc(-c3ccc(Br)cc3)no2)CCCC[NH2+]1 ZINC000133841890 432070494 /nfs/dbraw/zinc/07/04/94/432070494.db2.gz MOENTOAJWQZPJH-CQSZACIVSA-N 1 0 322.206 3.488 10 0 DGAERO CC[C@@H](C(=O)N[C@@H]1CCCOc2c(Cl)cccc21)[NH+](C)C ZINC000179759551 432070309 /nfs/dbraw/zinc/07/03/09/432070309.db2.gz GXMDIEVQWOTMJT-KGLIPLIRSA-N 1 0 310.825 3.010 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000179403228 199029209 /nfs/dbraw/zinc/02/92/09/199029209.db2.gz GFCWIFCYZSIEOL-RDTXWAMCSA-N 1 0 314.429 3.145 10 0 DGAERO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCOC1 ZINC000179454882 199037837 /nfs/dbraw/zinc/03/78/37/199037837.db2.gz YTQDBQSPFQOAAN-TZMCWYRMSA-N 1 0 304.365 3.038 10 0 DGAERO C[C@H](N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1(C)CC1 ZINC000179461064 199039637 /nfs/dbraw/zinc/03/96/37/199039637.db2.gz KQXFGEZBMRXXTR-USXIJHARSA-N 1 0 315.461 3.262 10 0 DGAERO C[NH+](C)CCCC1CCN(C(=O)NCCc2ccsc2)CC1 ZINC000179499972 199046613 /nfs/dbraw/zinc/04/66/13/199046613.db2.gz OJNWHWHPUAMORY-UHFFFAOYSA-N 1 0 323.506 3.054 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@@H](C)CCCOC)CC1 ZINC000179776730 199079253 /nfs/dbraw/zinc/07/92/53/199079253.db2.gz NNUHMHYPDXWXKF-INIZCTEOSA-N 1 0 305.466 3.056 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000179879122 199091086 /nfs/dbraw/zinc/09/10/86/199091086.db2.gz YPLWPRUMOAYYFZ-ZDUSSCGKSA-N 1 0 322.815 3.470 10 0 DGAERO Cc1ccc(F)cc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000180092851 199116442 /nfs/dbraw/zinc/11/64/42/199116442.db2.gz YRYSQOXMLQMOPD-UHFFFAOYSA-N 1 0 300.381 3.001 10 0 DGAERO COCc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000180113389 199118258 /nfs/dbraw/zinc/11/82/58/199118258.db2.gz XENDQGWUIKDEGH-MOPGFXCFSA-N 1 0 324.424 3.008 10 0 DGAERO CCCn1nc(C)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1C ZINC000180120987 199119043 /nfs/dbraw/zinc/11/90/43/199119043.db2.gz UTSLELKOVYODIZ-KRWDZBQOSA-N 1 0 315.465 3.079 10 0 DGAERO COCc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000180141357 199122549 /nfs/dbraw/zinc/12/25/49/199122549.db2.gz BAXHSWPJQCKKIS-MOPGFXCFSA-N 1 0 324.424 3.008 10 0 DGAERO C[C@H]1C[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C[C@@H](C)C1 ZINC000246818319 291135895 /nfs/dbraw/zinc/13/58/95/291135895.db2.gz FXHFJXOIPHTSQM-ZSHCYNCHSA-N 1 0 307.482 3.081 10 0 DGAERO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000170643092 432075211 /nfs/dbraw/zinc/07/52/11/432075211.db2.gz OXOWHLLRAULIFH-ZDUSSCGKSA-N 1 0 300.324 3.419 10 0 DGAERO COc1cc(C[NH2+]Cc2cc(F)ccc2OC)cc(OC)c1 ZINC000237300210 202224208 /nfs/dbraw/zinc/22/42/08/202224208.db2.gz PIJQYQZUGWBSPA-UHFFFAOYSA-N 1 0 305.349 3.141 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](Cc3cccc4nccn43)C2)n1 ZINC000179962896 432075523 /nfs/dbraw/zinc/07/55/23/432075523.db2.gz QEIVIISRQZKARL-AWEZNQCLSA-N 1 0 312.442 3.479 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)CC2 ZINC000180502026 199167723 /nfs/dbraw/zinc/16/77/23/199167723.db2.gz WVLMJKXMRUEPSU-ABAIWWIYSA-N 1 0 320.387 3.345 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Cl)sc1Cl ZINC000180586602 199180886 /nfs/dbraw/zinc/18/08/86/199180886.db2.gz LKEWRFKHXLBQPM-JGVFFNPUSA-N 1 0 317.245 3.312 10 0 DGAERO C[C@H]([NH3+])CCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000237411631 202257377 /nfs/dbraw/zinc/25/73/77/202257377.db2.gz RMLGQPDULWPVDP-KRWDZBQOSA-N 1 0 310.441 3.385 10 0 DGAERO CCOC(=O)CCCC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180649907 199190430 /nfs/dbraw/zinc/19/04/30/199190430.db2.gz BNCVITNUYCTIFS-OAHLLOKOSA-N 1 0 315.417 3.256 10 0 DGAERO CC[C@@H](C(=O)NC[C@H](C)[NH+](CC)CC)c1ccc(OC)cc1 ZINC000180728591 199202399 /nfs/dbraw/zinc/20/23/99/199202399.db2.gz KUXBCOQYVLCWJC-WMLDXEAASA-N 1 0 306.450 3.035 10 0 DGAERO Cc1csc(=O)n1CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180727992 199202464 /nfs/dbraw/zinc/20/24/64/199202464.db2.gz DRCCJRRKAJDBDL-JTQLQIEISA-N 1 0 314.813 3.362 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)s1 ZINC000180831068 199215679 /nfs/dbraw/zinc/21/56/79/199215679.db2.gz TTZHUVPMZBJKBN-SNVBAGLBSA-N 1 0 323.487 3.292 10 0 DGAERO Cc1nc2n(n1)C[C@H](Nc1c(C)c[nH+]c3c(C)cccc13)CC2 ZINC000185293492 199835404 /nfs/dbraw/zinc/83/54/04/199835404.db2.gz ROLVFYGIPGPTNH-CQSZACIVSA-N 1 0 307.401 3.178 10 0 DGAERO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000181013476 199241045 /nfs/dbraw/zinc/24/10/45/199241045.db2.gz IWXHFKWZJOUMMJ-HFTRVMKXSA-N 1 0 318.461 3.130 10 0 DGAERO COc1cc(C[N@@H+]2CCCN(c3ccccc3)CC2)ccc1O ZINC000180068891 432077527 /nfs/dbraw/zinc/07/75/27/432077527.db2.gz KZJYABYGIRQBHK-UHFFFAOYSA-N 1 0 312.413 3.113 10 0 DGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(O)c(OC)c2)C12CCC2 ZINC000180094083 432078428 /nfs/dbraw/zinc/07/84/28/432078428.db2.gz ZCZSUQDUPNUYIQ-IRXDYDNUSA-N 1 0 305.418 3.180 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)ccc1O ZINC000180088518 432078277 /nfs/dbraw/zinc/07/82/77/432078277.db2.gz CYNYTEJMPOFGQM-QGZVFWFLSA-N 1 0 312.413 3.477 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)ccc1O ZINC000180078889 432078326 /nfs/dbraw/zinc/07/83/26/432078326.db2.gz TUNJEORMMJONLM-OAHLLOKOSA-N 1 0 315.417 3.088 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C12CCOCC2 ZINC000186208840 199927833 /nfs/dbraw/zinc/92/78/33/199927833.db2.gz NSBMTZSWGZSDJW-RRQGHBQHSA-N 1 0 307.409 3.451 10 0 DGAERO CN(Cc1c[nH]c(-c2ccccc2)n1)[C@@H]1CCCc2c1cnn2C ZINC000180209540 432081399 /nfs/dbraw/zinc/08/13/99/432081399.db2.gz UYFHIBYIBOQWHW-QGZVFWFLSA-N 1 0 321.428 3.320 10 0 DGAERO CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)cc1 ZINC000186276679 199938429 /nfs/dbraw/zinc/93/84/29/199938429.db2.gz PTMZTSPKMHLSGF-MSOLQXFVSA-N 1 0 319.445 3.149 10 0 DGAERO CC[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000170829196 432083240 /nfs/dbraw/zinc/08/32/40/432083240.db2.gz RZAZMCBLNLKNKK-GJZGRUSLSA-N 1 0 309.841 3.137 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170832194 432083246 /nfs/dbraw/zinc/08/32/46/432083246.db2.gz ISDKESLDJRNMPI-ZIAGYGMSSA-N 1 0 315.417 3.148 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCCc1csc2ccccc12 ZINC000186787924 200010488 /nfs/dbraw/zinc/01/04/88/200010488.db2.gz UWSRJBYUNWNDPA-XJKSGUPXSA-N 1 0 316.470 3.338 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccccc1Oc1ccccc1 ZINC000186836819 200018830 /nfs/dbraw/zinc/01/88/30/200018830.db2.gz JGNMTTJONSYFJC-RHSMWYFYSA-N 1 0 310.397 3.207 10 0 DGAERO Cc1ccc([C@H](CNC(=O)N2CCCC2(C)C)[NH+]2CCCC2)o1 ZINC000170834327 432083911 /nfs/dbraw/zinc/08/39/11/432083911.db2.gz DEVFHURUFUPUEI-HNNXBMFYSA-N 1 0 319.449 3.309 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000186837941 200019957 /nfs/dbraw/zinc/01/99/57/200019957.db2.gz URLLGXWPCIRGTR-KBXCAEBGSA-N 1 0 310.397 3.207 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1cccc(Cl)c1 ZINC000187188856 200074582 /nfs/dbraw/zinc/07/45/82/200074582.db2.gz IMCDOFCVHYMNJP-BBRMVZONSA-N 1 0 304.825 3.372 10 0 DGAERO COc1c(C)cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)cc1C ZINC000180331497 432084462 /nfs/dbraw/zinc/08/44/62/432084462.db2.gz MKRNEQRAOYBAJU-UHFFFAOYSA-N 1 0 318.461 3.002 10 0 DGAERO COCC[N@@H+]1CCN(C[C@@H](C)c2cccc(Cl)c2)C[C@@H]1C ZINC000187210914 200078296 /nfs/dbraw/zinc/07/82/96/200078296.db2.gz ZTEMBMZEQYUVBZ-CABCVRRESA-N 1 0 310.869 3.096 10 0 DGAERO CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000187792256 200157286 /nfs/dbraw/zinc/15/72/86/200157286.db2.gz AYQYVIVAPWMLLC-JKSUJKDBSA-N 1 0 317.477 3.464 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc2ccccc21 ZINC000170863146 432085118 /nfs/dbraw/zinc/08/51/18/432085118.db2.gz MVNMUZKQDDIRPR-GDBMZVCRSA-N 1 0 311.429 3.246 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)cn1 ZINC000180400256 432084954 /nfs/dbraw/zinc/08/49/54/432084954.db2.gz BLQPMIDUOORKJA-XJKSGUPXSA-N 1 0 312.417 3.241 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1c2ccccc2NC1=O ZINC000180382318 432085235 /nfs/dbraw/zinc/08/52/35/432085235.db2.gz RSCXLMCRLMWTLS-CZUORRHYSA-N 1 0 310.397 3.472 10 0 DGAERO C[C@@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000237517207 202269172 /nfs/dbraw/zinc/26/91/72/202269172.db2.gz CHFZKXWHSIPSCD-QIXHYMPYSA-N 1 0 304.409 3.061 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)cn1 ZINC000180400294 432085477 /nfs/dbraw/zinc/08/54/77/432085477.db2.gz BLQPMIDUOORKJA-BBRMVZONSA-N 1 0 312.417 3.241 10 0 DGAERO C[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCCc2ccccc21 ZINC000237584748 202293126 /nfs/dbraw/zinc/29/31/26/202293126.db2.gz AOQFEJFAMGEWQH-UYAOXDASSA-N 1 0 308.425 3.097 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c(C3CC3)nc3sccn23)CC[C@H]1C ZINC000188313173 200225578 /nfs/dbraw/zinc/22/55/78/200225578.db2.gz VWICHLHDQSIVRC-RISCZKNCSA-N 1 0 305.447 3.130 10 0 DGAERO Cc1nc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2s1 ZINC000237717005 202336792 /nfs/dbraw/zinc/33/67/92/202336792.db2.gz MHXQMCWORUADMY-WHOFXGATSA-N 1 0 315.442 3.464 10 0 DGAERO [NH3+]C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)C1CCCCC1 ZINC000262087030 283494103 /nfs/dbraw/zinc/49/41/03/283494103.db2.gz HSAHBJKODCSMCA-MJBXVCDLSA-N 1 0 320.399 3.379 10 0 DGAERO O=C(NCC[C@H]1CCC[NH2+]C1)C1(c2ccc(F)cc2)CCCC1 ZINC000237736081 202342697 /nfs/dbraw/zinc/34/26/97/202342697.db2.gz JDIZEPGVAPFSRD-OAHLLOKOSA-N 1 0 318.436 3.143 10 0 DGAERO FC(F)c1nc2ccccc2c(N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000420253803 237692276 /nfs/dbraw/zinc/69/22/76/237692276.db2.gz QNBCNWNCZHMFGP-QGZVFWFLSA-N 1 0 318.371 3.147 10 0 DGAERO CC(C)[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000170917353 432087502 /nfs/dbraw/zinc/08/75/02/432087502.db2.gz HPAUWLGRWJUYOD-WMZOPIPTSA-N 1 0 316.445 3.137 10 0 DGAERO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cnc(-c3ccccc3)[nH]2)c1 ZINC000189014022 200335631 /nfs/dbraw/zinc/33/56/31/200335631.db2.gz VZUVWVUWPKTHII-SFHVURJKSA-N 1 0 321.424 3.078 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccs1 ZINC000189058677 200342706 /nfs/dbraw/zinc/34/27/06/200342706.db2.gz OAMSFTGBPCSHHQ-SWLSCSKDSA-N 1 0 318.417 3.339 10 0 DGAERO Fc1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000189249847 200369551 /nfs/dbraw/zinc/36/95/51/200369551.db2.gz JUPYZERTCMCCAB-CYBMUJFWSA-N 1 0 318.371 3.271 10 0 DGAERO CO[C@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)CC[C@H]1C ZINC000189370153 200388451 /nfs/dbraw/zinc/38/84/51/200388451.db2.gz KRWXOBCAHVOHIP-ZBFHGGJFSA-N 1 0 315.417 3.026 10 0 DGAERO CO[C@@H]1C[N@H+](CCCC(=O)Nc2c(C)cccc2C)CC[C@@H]1C ZINC000189338716 200384092 /nfs/dbraw/zinc/38/40/92/200384092.db2.gz RZKDKKZUTMRRBS-WMLDXEAASA-N 1 0 318.461 3.379 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nnc(C(C)C)n3C1)CC2 ZINC000180533493 432089316 /nfs/dbraw/zinc/08/93/16/432089316.db2.gz FVDHEDOTSPZHHU-NVXWUHKLSA-N 1 0 310.445 3.302 10 0 DGAERO c1ccc(CN2CCSC[C@@H]2C[NH2+][C@H]2CCCSC2)cc1 ZINC000428534540 238024548 /nfs/dbraw/zinc/02/45/48/238024548.db2.gz KDYNLPNDJGFLSW-IRXDYDNUSA-N 1 0 322.543 3.089 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000134926637 432090300 /nfs/dbraw/zinc/09/03/00/432090300.db2.gz YJWUVUCSTSSMPA-KBPBESRZSA-N 1 0 303.454 3.272 10 0 DGAERO CN(CC1CC[NH+](C)CC1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000170981351 432091468 /nfs/dbraw/zinc/09/14/68/432091468.db2.gz PBKHEQSRRFCLHZ-SFHVURJKSA-N 1 0 314.473 3.297 10 0 DGAERO COc1c(C)cc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cc1C ZINC000246091247 432092188 /nfs/dbraw/zinc/09/21/88/432092188.db2.gz IOZIWLOQTHSVSZ-KZNAEPCWSA-N 1 0 319.445 3.080 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1noc(C2CCCCC2)n1 ZINC000246090937 432092619 /nfs/dbraw/zinc/09/26/19/432092619.db2.gz NRJJGPRFLKUUSP-CVEARBPZSA-N 1 0 318.465 3.176 10 0 DGAERO c1coc(-c2ncc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)s2)c1 ZINC000449677821 240364549 /nfs/dbraw/zinc/36/45/49/240364549.db2.gz CSTGOLFPEIZIAM-MRXNPFEDSA-N 1 0 304.415 3.406 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000261882303 283585486 /nfs/dbraw/zinc/58/54/86/283585486.db2.gz ZFHHOASWSAWSNN-SUHUHFCYSA-N 1 0 318.314 3.063 10 0 DGAERO O=C(C[C@@H]1CCCc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000170990884 432092405 /nfs/dbraw/zinc/09/24/05/432092405.db2.gz ILLGZDVTSYAMEX-ZWKOTPCHSA-N 1 0 312.457 3.193 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1F ZINC000180636707 432092465 /nfs/dbraw/zinc/09/24/65/432092465.db2.gz FDMPQOIOUSMPHB-KSSFIOAISA-N 1 0 316.424 3.269 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccc(C)cc1)C1CC1)CC2 ZINC000180633173 432092663 /nfs/dbraw/zinc/09/26/63/432092663.db2.gz QRIUOSRLDFXICU-MSOLQXFVSA-N 1 0 324.472 3.075 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCC[C@H]3C3CCOCC3)o2)n[nH]1 ZINC000434988000 238262051 /nfs/dbraw/zinc/26/20/51/238262051.db2.gz XIDXGZACUCHBLL-INIZCTEOSA-N 1 0 301.390 3.061 10 0 DGAERO C[C@@H](C[NH+](C)C)Oc1ncnc2sc3c(c21)CCCCC3 ZINC000006182935 181317801 /nfs/dbraw/zinc/31/78/01/181317801.db2.gz IETGWIBWWYWEOL-NSHDSACASA-N 1 0 305.447 3.289 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)o2)n[nH]1 ZINC000435131386 238276661 /nfs/dbraw/zinc/27/66/61/238276661.db2.gz CPHUDIWZOSTDKY-KRWDZBQOSA-N 1 0 301.390 3.062 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c(Cl)cnn1C ZINC000189829019 432093369 /nfs/dbraw/zinc/09/33/69/432093369.db2.gz QUGJIKTUKUUFNL-AWEZNQCLSA-N 1 0 319.836 3.289 10 0 DGAERO c1nc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)co1 ZINC000191950439 200786236 /nfs/dbraw/zinc/78/62/36/200786236.db2.gz ARDYPIDIYGIXFZ-HKUYNNGSSA-N 1 0 311.429 3.161 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccc(C)cc1)C1CC1)CC2 ZINC000180633237 432093880 /nfs/dbraw/zinc/09/38/80/432093880.db2.gz QRIUOSRLDFXICU-ZWKOTPCHSA-N 1 0 324.472 3.075 10 0 DGAERO c1nn2ccccc2c1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435729995 238343049 /nfs/dbraw/zinc/34/30/49/238343049.db2.gz CKZHBVIBABGERT-SFHVURJKSA-N 1 0 312.461 3.221 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000192129805 200824404 /nfs/dbraw/zinc/82/44/04/200824404.db2.gz YCGMCJIVKVERCE-RNCFNFMXSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H](CC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1F ZINC000246103522 432094977 /nfs/dbraw/zinc/09/49/77/432094977.db2.gz MWHPOMRPTZMQNI-UONOGXRCSA-N 1 0 324.415 3.449 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3cc(F)ccc31)CC2 ZINC000180651973 432095534 /nfs/dbraw/zinc/09/55/34/432095534.db2.gz VSUPLPSJHTZVOX-HOCLYGCPSA-N 1 0 314.408 3.133 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000193217071 201007721 /nfs/dbraw/zinc/00/77/21/201007721.db2.gz FXCKCZULBUJMPQ-CQSZACIVSA-N 1 0 306.425 3.271 10 0 DGAERO Cc1ccc([C@H](C[NH2+][C@H](C)C2CCC2)N2CCOCC2)s1 ZINC000180659078 432095896 /nfs/dbraw/zinc/09/58/96/432095896.db2.gz RXRAXDSUZBFKGJ-ZBFHGGJFSA-N 1 0 308.491 3.208 10 0 DGAERO CCc1csc([C@@H]2CCC[N@H+](Cc3ccnc(N)c3)C2)n1 ZINC000193325013 201030895 /nfs/dbraw/zinc/03/08/95/201030895.db2.gz HCBMTRXVNWKSHN-CYBMUJFWSA-N 1 0 302.447 3.062 10 0 DGAERO OCC[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000437955397 238702080 /nfs/dbraw/zinc/70/20/80/238702080.db2.gz QAJXCBJAOOIGCX-QRVBRYPASA-N 1 0 303.446 3.090 10 0 DGAERO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246118831 432097447 /nfs/dbraw/zinc/09/74/47/432097447.db2.gz AIMZDTNNOHIVCI-OXQOHEQNSA-N 1 0 310.441 3.307 10 0 DGAERO C[N@H+](CCc1cccc2ccccc21)CC(=O)Nc1ccncc1 ZINC000171058129 432097783 /nfs/dbraw/zinc/09/77/83/432097783.db2.gz IKELHMMZYPDLKV-UHFFFAOYSA-N 1 0 319.408 3.348 10 0 DGAERO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1)C(C)C ZINC000171056161 432098801 /nfs/dbraw/zinc/09/88/01/432098801.db2.gz NUHNZPQQHFENDB-QGZVFWFLSA-N 1 0 304.434 3.089 10 0 DGAERO CCn1cc([C@@H]2C[N@H+](CC[C@@H](C)c3ccccc3)CCO2)cn1 ZINC000194879178 201305412 /nfs/dbraw/zinc/30/54/12/201305412.db2.gz FNSXVTRSQLXNFS-APWZRJJASA-N 1 0 313.445 3.470 10 0 DGAERO Cn1c2ccc(C[N@@H+]3CCC[C@H]3C3CCC3)cc2sc1=O ZINC000194999109 201324386 /nfs/dbraw/zinc/32/43/86/201324386.db2.gz HIUCBZVSQCQRKZ-AWEZNQCLSA-N 1 0 302.443 3.365 10 0 DGAERO C[NH+](C)C1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000195310178 201376851 /nfs/dbraw/zinc/37/68/51/201376851.db2.gz MWAQEXQBVWMGQS-UHFFFAOYSA-N 1 0 316.367 3.110 10 0 DGAERO O=C(N[C@H]1CCc2cc(Cl)ccc21)C1CC[NH+](C2CC2)CC1 ZINC000195378467 201385918 /nfs/dbraw/zinc/38/59/18/201385918.db2.gz DWGXENAVGHPQNH-KRWDZBQOSA-N 1 0 318.848 3.318 10 0 DGAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCc1ccco1 ZINC000275625086 212447157 /nfs/dbraw/zinc/44/71/57/212447157.db2.gz RXEQQPQNKDULQU-RLFYNMQTSA-N 1 0 317.433 3.185 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000171068758 432100174 /nfs/dbraw/zinc/10/01/74/432100174.db2.gz VGKKVBDPKKMGBP-GFCCVEGCSA-N 1 0 302.205 3.161 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2CCCCC2)C1 ZINC000071920003 283744754 /nfs/dbraw/zinc/74/47/54/283744754.db2.gz CZBVRAONWVNHSW-HOTGVXAUSA-N 1 0 309.498 3.376 10 0 DGAERO Cc1ccc(O)c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000268527275 432101515 /nfs/dbraw/zinc/10/15/15/432101515.db2.gz HYOJTQDFQCZVNW-QGZVFWFLSA-N 1 0 324.424 3.047 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C(F)(F)F)cs1 ZINC000180844768 432101882 /nfs/dbraw/zinc/10/18/82/432101882.db2.gz BYRGOYNKMOPQAM-GHMZBOCLSA-N 1 0 319.396 3.221 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000171082559 432102303 /nfs/dbraw/zinc/10/23/03/432102303.db2.gz QZIZXZNIYMSJKN-SNVBAGLBSA-N 1 0 319.302 3.012 10 0 DGAERO c1cnn(CC[NH2+]C2c3ccccc3CCc3ccccc32)c1 ZINC000180828886 432103339 /nfs/dbraw/zinc/10/33/39/432103339.db2.gz SRDUKDOZVUANNN-UHFFFAOYSA-N 1 0 303.409 3.361 10 0 DGAERO Cn1cncc1[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)CCO1 ZINC000275470382 212354458 /nfs/dbraw/zinc/35/44/58/212354458.db2.gz HQFKMVYRBSYRHS-USNGAOFSSA-N 1 0 315.392 3.082 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000135170093 432104079 /nfs/dbraw/zinc/10/40/79/432104079.db2.gz OYXHQCRCHDFMKI-ZBFHGGJFSA-N 1 0 301.459 3.377 10 0 DGAERO CSCC1CCC([NH2+][C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000449121288 240028417 /nfs/dbraw/zinc/02/84/17/240028417.db2.gz HCQYRSXIMJFIHK-VMBOVVBDSA-N 1 0 318.486 3.303 10 0 DGAERO Cc1ccc([C@@H](C)C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449156495 240043048 /nfs/dbraw/zinc/04/30/48/240043048.db2.gz DPAUNHCPPOTHST-HNNXBMFYSA-N 1 0 317.454 3.292 10 0 DGAERO Cc1ccccc1C[C@H](C)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449090721 240012734 /nfs/dbraw/zinc/01/27/34/240012734.db2.gz OOXBRVIAZSXTHT-HNNXBMFYSA-N 1 0 317.454 3.119 10 0 DGAERO CC[N@@H+]1CC[C@H](CNCc2cnc(-c3ccccc3F)s2)C1 ZINC000449093224 240014151 /nfs/dbraw/zinc/01/41/51/240014151.db2.gz WWSMIUVZNYCARI-CYBMUJFWSA-N 1 0 319.449 3.381 10 0 DGAERO OC[C@H](C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000449178563 240053248 /nfs/dbraw/zinc/05/32/48/240053248.db2.gz XPICKKBLSYNWLR-DZGCQCFKSA-N 1 0 321.342 3.457 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+]Cc2ccccc2OCC(C)C)[nH]n1 ZINC000449193883 240059779 /nfs/dbraw/zinc/05/97/79/240059779.db2.gz UCBYRSAIAGYDPH-AWEZNQCLSA-N 1 0 301.434 3.474 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000246179490 432104608 /nfs/dbraw/zinc/10/46/08/432104608.db2.gz LSADKEQXSBYFGO-IUODEOHRSA-N 1 0 309.841 3.185 10 0 DGAERO CC1(C)C[N@H+](Cc2cccc3ccoc32)C[C@]2(CCOC2)O1 ZINC000449297659 240117452 /nfs/dbraw/zinc/11/74/52/240117452.db2.gz HCGYQEJAYDYVLD-SFHVURJKSA-N 1 0 301.386 3.203 10 0 DGAERO COc1ccc(OC)c(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1 ZINC000449394458 240175034 /nfs/dbraw/zinc/17/50/34/240175034.db2.gz QNOOIODPBFQJEZ-GOSISDBHSA-N 1 0 315.413 3.051 10 0 DGAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N(CCC(F)(F)F)CC1CC1 ZINC000262450946 296075059 /nfs/dbraw/zinc/07/50/59/296075059.db2.gz FMLVQDWATXEQGE-MCIONIFRSA-N 1 0 318.383 3.098 10 0 DGAERO c1nc(C2CC2)oc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000449697143 240374261 /nfs/dbraw/zinc/37/42/61/240374261.db2.gz KFCIBZSZIMHKNH-UHFFFAOYSA-N 1 0 311.429 3.306 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)o2)CN1Cc1ccccc1 ZINC000449707977 240376930 /nfs/dbraw/zinc/37/69/30/240376930.db2.gz TUZBHCALEONDHV-WMLDXEAASA-N 1 0 311.429 3.305 10 0 DGAERO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCC[C@H]1O ZINC000246186248 432105597 /nfs/dbraw/zinc/10/55/97/432105597.db2.gz DHANBDFCZPINQH-BXUZGUMPSA-N 1 0 316.214 3.181 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)C1CCC1 ZINC000449738292 240393423 /nfs/dbraw/zinc/39/34/23/240393423.db2.gz ATZNHONPTWXRPN-BBRMVZONSA-N 1 0 324.262 3.057 10 0 DGAERO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000006877272 181399785 /nfs/dbraw/zinc/39/97/85/181399785.db2.gz JOQUCBALCIBLPQ-UHFFFAOYSA-N 1 0 301.434 3.335 10 0 DGAERO CC(C)[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 ZINC000091347351 193044733 /nfs/dbraw/zinc/04/47/33/193044733.db2.gz XAUASNXQILRMSZ-PKOBYXMFSA-N 1 0 312.461 3.376 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000091539258 193071075 /nfs/dbraw/zinc/07/10/75/193071075.db2.gz FKJXUUIOOOIDNW-NDMJEZRESA-N 1 0 300.324 3.010 10 0 DGAERO CCC[C@H](C(=O)NCC1(c2ccccc2Cl)CC1)[NH+](C)C ZINC000135232853 432106862 /nfs/dbraw/zinc/10/68/62/432106862.db2.gz MOGLHACCWGXMHT-OAHLLOKOSA-N 1 0 308.853 3.218 10 0 DGAERO c1c(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)nnn1CC1CC1 ZINC000450343471 240660518 /nfs/dbraw/zinc/66/05/18/240660518.db2.gz XWIYODHLUXWMTM-LJQANCHMSA-N 1 0 310.445 3.285 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CCCC2(C)C)ccc1F ZINC000078328465 283862623 /nfs/dbraw/zinc/86/26/23/283862623.db2.gz CPMSZRACBRMGIQ-INIZCTEOSA-N 1 0 321.440 3.265 10 0 DGAERO C[C@H](C[NH3+])c1coc2cc(I)ccc21 ZINC000091690984 193091118 /nfs/dbraw/zinc/09/11/18/193091118.db2.gz WZSWVSMUNPDUQX-SSDOTTSWSA-N 1 0 301.127 3.100 10 0 DGAERO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccsc3)C2)n1 ZINC000091686573 193092269 /nfs/dbraw/zinc/09/22/69/193092269.db2.gz GBHMLARXCLHUTD-OAHLLOKOSA-N 1 0 315.442 3.302 10 0 DGAERO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000091630683 193082739 /nfs/dbraw/zinc/08/27/39/193082739.db2.gz DLBSLTVOUNFYAC-CYBMUJFWSA-N 1 0 318.371 3.271 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000180977789 432107402 /nfs/dbraw/zinc/10/74/02/432107402.db2.gz POQQJVMPOGYGRG-IPYPFGDCSA-N 1 0 307.507 3.401 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000091832826 193114066 /nfs/dbraw/zinc/11/40/66/193114066.db2.gz MTEGJAVZIWVLAJ-CDVVCGDMSA-N 1 0 313.401 3.279 10 0 DGAERO C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1n1ccnc1 ZINC000091961205 193132434 /nfs/dbraw/zinc/13/24/34/193132434.db2.gz HWWRGSNFNQNUMK-BEFAXECRSA-N 1 0 321.428 3.356 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000091960524 193132654 /nfs/dbraw/zinc/13/26/54/193132654.db2.gz IYCTWFHJCZJNIE-LVPXMUDFSA-N 1 0 311.429 3.488 10 0 DGAERO COCCCOc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000091979457 193136273 /nfs/dbraw/zinc/13/62/73/193136273.db2.gz ARYIXBJEPOJGCC-RBUKOAKNSA-N 1 0 319.445 3.245 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@H](C)c1ccccc1 ZINC000079495376 283881063 /nfs/dbraw/zinc/88/10/63/283881063.db2.gz FBAVEWWXXHYFAP-WBVHZDCISA-N 1 0 305.466 3.365 10 0 DGAERO CS[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000451321579 241081826 /nfs/dbraw/zinc/08/18/26/241081826.db2.gz CUUIQUCPMHJETG-QWHCGFSZSA-N 1 0 319.392 3.046 10 0 DGAERO Cc1cc(C[N@@H+](C)[C@H](C)C(C)(C)O)ccc1Br ZINC000451368462 241097904 /nfs/dbraw/zinc/09/79/04/241097904.db2.gz LHRDPPNEIGYXBS-LLVKDONJSA-N 1 0 300.240 3.349 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451219639 241050250 /nfs/dbraw/zinc/05/02/50/241050250.db2.gz DQRDVLMNFZPWNB-SPSVOKCTSA-N 1 0 320.864 3.196 10 0 DGAERO OC[C@H]1CC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000453139489 241643160 /nfs/dbraw/zinc/64/31/60/241643160.db2.gz NABWAKKDQLQNKZ-PBWTXFEYSA-N 1 0 303.446 3.295 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(-c2ccoc2)n1 ZINC000246270963 432112758 /nfs/dbraw/zinc/11/27/58/432112758.db2.gz VXIXYZZGBVYGHF-CVEARBPZSA-N 1 0 317.458 3.462 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000246258422 432114121 /nfs/dbraw/zinc/11/41/21/432114121.db2.gz KPQROIDXCYSKTO-IMJJTQAJSA-N 1 0 306.837 3.425 10 0 DGAERO Cc1c(Cl)c(CN(C)CC2(CO)CC2)nc2ccccc12 ZINC000190026757 432114913 /nfs/dbraw/zinc/11/49/13/432114913.db2.gz JAFGFQKWJSOUQC-UHFFFAOYSA-N 1 0 304.821 3.401 10 0 DGAERO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000190023480 432115052 /nfs/dbraw/zinc/11/50/52/432115052.db2.gz ULFUPHWFQPASRN-FGTMMUONSA-N 1 0 323.502 3.218 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000246278002 432115228 /nfs/dbraw/zinc/11/52/28/432115228.db2.gz BHWOCWIZCDTHHZ-QMTHXVAHSA-N 1 0 313.804 3.329 10 0 DGAERO c1ccc(OCC2CC2)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000092757112 284007897 /nfs/dbraw/zinc/00/78/97/284007897.db2.gz NOAOXNCBBJBHEW-GOSISDBHSA-N 1 0 300.446 3.146 10 0 DGAERO CC(C)c1ccc(/C=C\CC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000457362412 242732560 /nfs/dbraw/zinc/73/25/60/242732560.db2.gz JIRBDOHMURHQGQ-ARJAWSKDSA-N 1 0 300.446 3.411 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(F)c2)cc1F ZINC000102699062 284023693 /nfs/dbraw/zinc/02/36/93/284023693.db2.gz BWWRNFGSJZBJOX-NSHDSACASA-N 1 0 320.339 3.263 10 0 DGAERO CC(=O)Nc1ccccc1C[NH+]1CCC(OCC(C)C)CC1 ZINC000092223360 193176231 /nfs/dbraw/zinc/17/62/31/193176231.db2.gz YSFSDTMDLLLYDH-UHFFFAOYSA-N 1 0 304.434 3.282 10 0 DGAERO CSc1ccccc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000092231791 193177215 /nfs/dbraw/zinc/17/72/15/193177215.db2.gz ZBHOYJVBCZURIS-UKRRQHHQSA-N 1 0 304.459 3.013 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105124916 284038394 /nfs/dbraw/zinc/03/83/94/284038394.db2.gz RZGZBGWUTMWNNR-OAHLLOKOSA-N 1 0 321.465 3.464 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000245603204 299385861 /nfs/dbraw/zinc/38/58/61/299385861.db2.gz PUPSACLOKYRGHH-SDNTUTLCSA-N 1 0 308.853 3.100 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccc(Cl)s1 ZINC000252388590 202834953 /nfs/dbraw/zinc/83/49/53/202834953.db2.gz FVXBUKUNHIPXSO-QCNOEVLYSA-N 1 0 312.866 3.499 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NCc2cc(C)cs2)CC1 ZINC000459015427 243228473 /nfs/dbraw/zinc/22/84/73/243228473.db2.gz LHJFBPPCZZXORL-UHFFFAOYSA-N 1 0 323.506 3.320 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000135415128 432117693 /nfs/dbraw/zinc/11/76/93/432117693.db2.gz IEUIKDGHKFKMNH-HOCLYGCPSA-N 1 0 306.837 3.253 10 0 DGAERO CCC[N@H+](Cc1cnnn1CC)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000459349634 243343577 /nfs/dbraw/zinc/34/35/77/243343577.db2.gz XWTGOZQDCKCNHP-IAGOWNOFSA-N 1 0 320.481 3.248 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000112043476 284084482 /nfs/dbraw/zinc/08/44/82/284084482.db2.gz POTKAWVEFMFQII-FXAWDEMLSA-N 1 0 324.468 3.154 10 0 DGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000112675712 284094147 /nfs/dbraw/zinc/09/41/47/284094147.db2.gz ZYTDTMIEPWMASG-IRXDYDNUSA-N 1 0 309.475 3.395 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@]2(CC=CCC2)C1)C[NH+]1CCCC1 ZINC000114589835 284109745 /nfs/dbraw/zinc/10/97/45/284109745.db2.gz VCUILYNXORMGDI-PKOBYXMFSA-N 1 0 319.493 3.250 10 0 DGAERO O=C(C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)NC(C1CC1)C1CC1 ZINC000114495013 284108847 /nfs/dbraw/zinc/10/88/47/284108847.db2.gz ILHVLQAEYRGYBH-IBGZPJMESA-N 1 0 302.462 3.114 10 0 DGAERO C[C@@H](CNC(=O)C(C)(C)c1cccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000115333634 284113484 /nfs/dbraw/zinc/11/34/84/284113484.db2.gz HQUXJYXXQUHGMR-KBPBESRZSA-N 1 0 308.491 3.262 10 0 DGAERO C[C@@H](CNC(=O)C(C)(C)c1cccs1)[NH+]1CCC(C)CC1 ZINC000115347662 284113531 /nfs/dbraw/zinc/11/35/31/284113531.db2.gz YILHUUWJWLZWOP-AWEZNQCLSA-N 1 0 308.491 3.262 10 0 DGAERO COc1cc(C[N@H+](C)Cc2ccc(C)s2)cc2c1OCCO2 ZINC000093049289 193197908 /nfs/dbraw/zinc/19/79/08/193197908.db2.gz DCAWAURMMOKKOL-UHFFFAOYSA-N 1 0 319.426 3.468 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2sc(C)nc2CC(C)C)C1 ZINC000135437472 432119548 /nfs/dbraw/zinc/11/95/48/432119548.db2.gz MAVPMYRUACYSOD-CYBMUJFWSA-N 1 0 324.494 3.256 10 0 DGAERO CC1CCC([NH+]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000469909071 244133837 /nfs/dbraw/zinc/13/38/37/244133837.db2.gz RPBRSCXIMJEXOB-JREVHRFXSA-N 1 0 304.478 3.146 10 0 DGAERO CN(Cc1ccc(F)cc1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116439043 284121389 /nfs/dbraw/zinc/12/13/89/284121389.db2.gz JQTVATQVXXYLHY-MRXNPFEDSA-N 1 0 323.456 3.334 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000116180734 284119822 /nfs/dbraw/zinc/11/98/22/284119822.db2.gz NEEKXZPFQOUJNG-PBHICJAKSA-N 1 0 308.441 3.412 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000470950834 244196299 /nfs/dbraw/zinc/19/62/99/244196299.db2.gz SLFCQALJBVNLPI-MFKMUULPSA-N 1 0 303.324 3.477 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000471823918 244254678 /nfs/dbraw/zinc/25/46/78/244254678.db2.gz QZYFGSSUCDTILH-QZTJIDSGSA-N 1 0 313.445 3.205 10 0 DGAERO CCC[N@@H+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CCCCO1 ZINC000093132477 193205528 /nfs/dbraw/zinc/20/55/28/193205528.db2.gz SIFZHEQUIABOJG-QGZVFWFLSA-N 1 0 314.433 3.253 10 0 DGAERO CO[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000471791308 244246503 /nfs/dbraw/zinc/24/65/03/244246503.db2.gz WORKKFOEDFURAI-GJZGRUSLSA-N 1 0 310.388 3.091 10 0 DGAERO CC[C@@H]1CCCCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119061353 284133493 /nfs/dbraw/zinc/13/34/93/284133493.db2.gz VFLYYYBJARSDEE-OFLPRAFFSA-N 1 0 309.498 3.471 10 0 DGAERO Cc1cnn(CC[NH2+]Cc2ccc(C)cc2Br)c1 ZINC000119124515 284135276 /nfs/dbraw/zinc/13/52/76/284135276.db2.gz VUUBPDZQNCCVIW-UHFFFAOYSA-N 1 0 308.223 3.052 10 0 DGAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccs1 ZINC000246332031 432120145 /nfs/dbraw/zinc/12/01/45/432120145.db2.gz BACZREAEJGPKAF-UONOGXRCSA-N 1 0 307.463 3.079 10 0 DGAERO OCCC1([NH2+]CCCOCCc2ccccc2)CCCCC1 ZINC000474279699 244382422 /nfs/dbraw/zinc/38/24/22/244382422.db2.gz JMPXXSSPFKHIFC-UHFFFAOYSA-N 1 0 305.462 3.311 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)C(C)(C)C[NH+](C)C ZINC000119648012 284147871 /nfs/dbraw/zinc/14/78/71/284147871.db2.gz NOTWFSJWVFTXBV-VQIMIIECSA-N 1 0 321.509 3.495 10 0 DGAERO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccc(Cl)s1 ZINC000246326408 432120297 /nfs/dbraw/zinc/12/02/97/432120297.db2.gz JYXUJLRCHMRSAR-WOPDTQHZSA-N 1 0 312.866 3.200 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000246333638 432120459 /nfs/dbraw/zinc/12/04/59/432120459.db2.gz ONVSTTRGONUWNB-HLLBOEOZSA-N 1 0 303.450 3.119 10 0 DGAERO Cc1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1C ZINC000093272659 193223188 /nfs/dbraw/zinc/22/31/88/193223188.db2.gz WWVDAWLDRLAOMV-UHFFFAOYSA-N 1 0 310.445 3.194 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+](C)[C@H](C)Cc3ccc(O)cc3)cnc2n1 ZINC000093324745 193231460 /nfs/dbraw/zinc/23/14/60/193231460.db2.gz AFMLMLBSJDNBEC-CQSZACIVSA-N 1 0 324.428 3.115 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+](C)[C@@H](C)Cc3ccc(O)cc3)cnc2n1 ZINC000093324744 193232550 /nfs/dbraw/zinc/23/25/50/193232550.db2.gz AFMLMLBSJDNBEC-AWEZNQCLSA-N 1 0 324.428 3.115 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1CCCN1CCOC)c1cc(C)ccc1OC ZINC000093404822 193246094 /nfs/dbraw/zinc/24/60/94/193246094.db2.gz ZLBACMTYPAFJDM-WMZOPIPTSA-N 1 0 320.477 3.155 10 0 DGAERO COc1ccccc1/C=C/CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597654 193272119 /nfs/dbraw/zinc/27/21/19/193272119.db2.gz VBFPZOUVRNHQTN-DBWMJRBXSA-N 1 0 300.446 3.126 10 0 DGAERO CC(=O)Nc1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000093807208 193311048 /nfs/dbraw/zinc/31/10/48/193311048.db2.gz VFNFUXFMDYHCKO-UHFFFAOYSA-N 1 0 303.431 3.084 10 0 DGAERO COCCCOc1cccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000093645071 193281826 /nfs/dbraw/zinc/28/18/26/193281826.db2.gz SBYXPBFAMKTUII-SJLPKXTDSA-N 1 0 320.477 3.016 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc[nH]1 ZINC000095089192 193421493 /nfs/dbraw/zinc/42/14/93/193421493.db2.gz SMYYTWKKJXETNC-ZIAGYGMSSA-N 1 0 307.438 3.455 10 0 DGAERO COC(=O)[C@@H](C1CC1)[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483123690 244836440 /nfs/dbraw/zinc/83/64/40/244836440.db2.gz SZLYMOLHGJGLTH-MRXNPFEDSA-N 1 0 307.821 3.471 10 0 DGAERO CC[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1nccs1 ZINC000121199916 284190980 /nfs/dbraw/zinc/19/09/80/284190980.db2.gz BOYARLVZQDZSMW-CQSZACIVSA-N 1 0 318.446 3.478 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCCCC2(C)C)CC1 ZINC000122473263 284220518 /nfs/dbraw/zinc/22/05/18/284220518.db2.gz LXBDFBMQDFVYIB-UYSNPLJNSA-N 1 0 309.498 3.375 10 0 DGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000487269994 245043297 /nfs/dbraw/zinc/04/32/97/245043297.db2.gz IZYZTPHFULIFTE-GRYCIOLGSA-N 1 0 312.255 3.241 10 0 DGAERO CCCC1(CNC(=O)NC2CCC(C[NH+](C)C)CC2)CCC1 ZINC000122532864 284221411 /nfs/dbraw/zinc/22/14/11/284221411.db2.gz JUMAZZHIVVNENM-UHFFFAOYSA-N 1 0 309.498 3.376 10 0 DGAERO CCC1(CNC(=O)NC2CCC(C[NH+](C)C)CC2)CCCC1 ZINC000122688297 284223606 /nfs/dbraw/zinc/22/36/06/284223606.db2.gz QCBACRNHGQJZNO-UHFFFAOYSA-N 1 0 309.498 3.376 10 0 DGAERO CC[N@H+](CC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)C1CC1 ZINC000246358682 432122628 /nfs/dbraw/zinc/12/26/28/432122628.db2.gz XAQXGIBYXQEQDS-DYVFJYSZSA-N 1 0 304.409 3.220 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)c1ccc(C)cc1 ZINC000487790780 245106218 /nfs/dbraw/zinc/10/62/18/245106218.db2.gz LLVWAEOIHRYGPH-QGZVFWFLSA-N 1 0 302.462 3.263 10 0 DGAERO CC(=O)N1CCN(CCc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000488196838 245161693 /nfs/dbraw/zinc/16/16/93/245161693.db2.gz MUXKOFZPARETOC-NSHDSACASA-N 1 0 315.244 3.089 10 0 DGAERO COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](CO)[C@H]3C)cs2)c1 ZINC000488734257 245224412 /nfs/dbraw/zinc/22/44/12/245224412.db2.gz QPQVLRUZOWBKQE-OCCSQVGLSA-N 1 0 318.442 3.021 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@@H]2CCCS2)C1 ZINC000123960351 284249503 /nfs/dbraw/zinc/24/95/03/284249503.db2.gz YGDPFERUMYWPLO-KBPBESRZSA-N 1 0 314.495 3.119 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000489551397 245323940 /nfs/dbraw/zinc/32/39/40/245323940.db2.gz LRWXALLOFMJGKA-KBAYOESNSA-N 1 0 317.477 3.271 10 0 DGAERO COC[C@H](C)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000124332005 284257057 /nfs/dbraw/zinc/25/70/57/284257057.db2.gz BBYRNGKQBJJVRY-ZHALLVOQSA-N 1 0 304.478 3.254 10 0 DGAERO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246358510 432124080 /nfs/dbraw/zinc/12/40/80/432124080.db2.gz WZFTZOJTFLMTCD-VIIHDXQUSA-N 1 0 309.498 3.231 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC(=O)N(C)CC3CC3)C2)cc1 ZINC000490027190 245374039 /nfs/dbraw/zinc/37/40/39/245374039.db2.gz AFCFBJBYQHWFIB-CRAIPNDOSA-N 1 0 300.446 3.041 10 0 DGAERO Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCCCC[NH+](C)C ZINC000490040709 245375937 /nfs/dbraw/zinc/37/59/37/245375937.db2.gz DUMLZHPIWWDYSR-HOTGVXAUSA-N 1 0 302.462 3.434 10 0 DGAERO CCC(CC)[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000124960425 284266900 /nfs/dbraw/zinc/26/69/00/284266900.db2.gz UBZNMLYINKFOTD-QGZVFWFLSA-N 1 0 303.450 3.297 10 0 DGAERO CCN(Cc1ccccc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125053753 284268842 /nfs/dbraw/zinc/26/88/42/284268842.db2.gz WLILSKYFABEKPE-UHFFFAOYSA-N 1 0 317.477 3.339 10 0 DGAERO Cc1ccccc1[C@@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125314039 284273225 /nfs/dbraw/zinc/27/32/25/284273225.db2.gz GWAXBOZOFUTXQV-KLAILNCOSA-N 1 0 317.477 3.476 10 0 DGAERO CC[NH+](CC)CCNc1nncc(-c2cc3ccccc3o2)n1 ZINC000011663074 181697693 /nfs/dbraw/zinc/69/76/93/181697693.db2.gz OMZWUFGGZSOATG-UHFFFAOYSA-N 1 0 311.389 3.039 10 0 DGAERO COc1cccc(CC[NH3+])c1Oc1cc(-c2ccccc2)ncn1 ZINC000011849482 181710902 /nfs/dbraw/zinc/71/09/02/181710902.db2.gz XELRJJMVTOQRDY-UHFFFAOYSA-N 1 0 321.380 3.446 10 0 DGAERO COc1cc(C[NH3+])ccc1Oc1cc(-c2ccccc2)ncn1 ZINC000011849469 181711025 /nfs/dbraw/zinc/71/10/25/181711025.db2.gz MSVXWIQARIOVQK-UHFFFAOYSA-N 1 0 307.353 3.403 10 0 DGAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC(C)(C)C)C2)CC1 ZINC000171354329 432125076 /nfs/dbraw/zinc/12/50/76/432125076.db2.gz JNZSAUTWPCSTCO-INIZCTEOSA-N 1 0 309.498 3.186 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246373907 432125234 /nfs/dbraw/zinc/12/52/34/432125234.db2.gz JIZXJHSHDNGMGJ-IUODEOHRSA-N 1 0 309.841 3.499 10 0 DGAERO CC[C@@H](CC(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000126607962 284311142 /nfs/dbraw/zinc/31/11/42/284311142.db2.gz WKWIAPOVNRPAQO-RDJZCZTQSA-N 1 0 318.461 3.179 10 0 DGAERO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)on1 ZINC000126685977 284313586 /nfs/dbraw/zinc/31/35/86/284313586.db2.gz UWQJMNRFDKQVMH-NEPJUHHUSA-N 1 0 305.353 3.108 10 0 DGAERO CC(C)(C)CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171354259 432125988 /nfs/dbraw/zinc/12/59/88/432125988.db2.gz XVIWIYUAGCGQCX-MRXNPFEDSA-N 1 0 309.498 3.330 10 0 DGAERO Cc1cccc(NC[C@H]2CCN(c3cnc4ccccc4n3)C2)[nH+]1 ZINC000171365683 432126648 /nfs/dbraw/zinc/12/66/48/432126648.db2.gz FBRDOPVVGLYHJV-OAHLLOKOSA-N 1 0 319.412 3.272 10 0 DGAERO Fc1cc(C[NH2+]CCc2cccnc2)ccc1Br ZINC000127392737 284337557 /nfs/dbraw/zinc/33/75/57/284337557.db2.gz WEXSNEMCASIRKC-UHFFFAOYSA-N 1 0 309.182 3.316 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000127606227 284345616 /nfs/dbraw/zinc/34/56/16/284345616.db2.gz KIPZDUGGFCTWAR-GXFFZTMASA-N 1 0 318.642 3.353 10 0 DGAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000190158371 432127819 /nfs/dbraw/zinc/12/78/19/432127819.db2.gz PWXJQUAGSKJZCV-RRQGHBQHSA-N 1 0 315.417 3.019 10 0 DGAERO O=C(Nc1cccc(F)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107723780 284350499 /nfs/dbraw/zinc/35/04/99/284350499.db2.gz WNAZINJJKYYUBG-MRXNPFEDSA-N 1 0 305.397 3.308 10 0 DGAERO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccccc1 ZINC000015831696 182019745 /nfs/dbraw/zinc/01/97/45/182019745.db2.gz HSDGLPCNVAJPIC-SFHVURJKSA-N 1 0 323.440 3.373 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000127983619 284359965 /nfs/dbraw/zinc/35/99/65/284359965.db2.gz GJIHVGMUDKODAT-YPMHNXCESA-N 1 0 323.403 3.137 10 0 DGAERO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c(Cl)cc1F ZINC000128053688 284362053 /nfs/dbraw/zinc/36/20/53/284362053.db2.gz QHWQLXAFTGQQTJ-GFCCVEGCSA-N 1 0 312.816 3.344 10 0 DGAERO O[C@@]12CCCC[C@@H]1[C@@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000016041568 182030622 /nfs/dbraw/zinc/03/06/22/182030622.db2.gz VQLPEFMVRAUFFW-RBSFLKMASA-N 1 0 310.235 3.405 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCOc1ccc(F)cc1)CC2 ZINC000128373978 284373388 /nfs/dbraw/zinc/37/33/88/284373388.db2.gz BWCSJNGNRIZBQN-CRAIPNDOSA-N 1 0 307.409 3.222 10 0 DGAERO COc1cccc(/C=C/C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000016891027 182062364 /nfs/dbraw/zinc/06/23/64/182062364.db2.gz PMJQEXYTJDTOPA-MDZDMXLPSA-N 1 0 316.445 3.134 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CCC(C)CC2)[C@H](C)C1 ZINC000128644284 284382121 /nfs/dbraw/zinc/38/21/21/284382121.db2.gz UXNXSOPDDLUOJU-MNAZLIDISA-N 1 0 309.498 3.184 10 0 DGAERO O=C(Nc1cccc2[nH]ccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000171395328 432129635 /nfs/dbraw/zinc/12/96/35/432129635.db2.gz AQZSGFSEOINREC-UHFFFAOYSA-N 1 0 312.417 3.260 10 0 DGAERO CCOc1ccc(C[NH2+]C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)cc1 ZINC000018067969 182092126 /nfs/dbraw/zinc/09/21/26/182092126.db2.gz DZMPCTWKHMAMEV-CCZBSFLLSA-N 1 0 301.430 3.259 10 0 DGAERO Cc1ccc(C[C@H](C)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000181453277 432129955 /nfs/dbraw/zinc/12/99/55/432129955.db2.gz HDRARCGCQBBOHQ-KRWDZBQOSA-N 1 0 314.473 3.260 10 0 DGAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019256406 182112140 /nfs/dbraw/zinc/11/21/40/182112140.db2.gz ZBWNSHVTQGGYIV-YGRLFVJLSA-N 1 0 315.230 3.462 10 0 DGAERO NC(=[NH2+])c1ccccc1OCc1ccc(Br)cc1 ZINC000019470829 182124438 /nfs/dbraw/zinc/12/44/38/182124438.db2.gz GRBYNCLSGVIZNL-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO CCCCOc1c(Br)cc(C[NH2+]C)cc1OC ZINC000019777032 182147578 /nfs/dbraw/zinc/14/75/78/182147578.db2.gz VCPDHGXKFOLWAB-UHFFFAOYSA-N 1 0 302.212 3.356 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000246433243 432130998 /nfs/dbraw/zinc/13/09/98/432130998.db2.gz MWCMQGOTTIMVAV-BQFCYCMXSA-N 1 0 317.477 3.428 10 0 DGAERO [NH3+][C@H](c1cccs1)c1ccccc1I ZINC000019842312 182155620 /nfs/dbraw/zinc/15/56/20/182155620.db2.gz WHWIYPVMHBOMKO-NSHDSACASA-N 1 0 315.179 3.401 10 0 DGAERO CCC(CC)[C@H](CNCc1ccc(Br)o1)[NH+](C)C ZINC000020201991 182196823 /nfs/dbraw/zinc/19/68/23/182196823.db2.gz ZAXMWEGKFBVFLW-ZDUSSCGKSA-N 1 0 317.271 3.498 10 0 DGAERO O[C@@H]1CN(C/C=C/c2ccccc2)CC[C@H]1[NH+]1CCCCCC1 ZINC000020209201 182197587 /nfs/dbraw/zinc/19/75/87/182197587.db2.gz QJZWVCLKLNBFCH-IEJDHCNXSA-N 1 0 314.473 3.011 10 0 DGAERO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129794968 284423287 /nfs/dbraw/zinc/42/32/87/284423287.db2.gz LELNKIAUYVOQKR-SSHXOBKSSA-N 1 0 320.502 3.397 10 0 DGAERO CCc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)oc1CC ZINC000130248833 284437341 /nfs/dbraw/zinc/43/73/41/284437341.db2.gz ZVGBSUWXWRNSBI-UHFFFAOYSA-N 1 0 306.450 3.255 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)CCCc2ccccc2)C1 ZINC000494101650 246112356 /nfs/dbraw/zinc/11/23/56/246112356.db2.gz ZXWBIQOXURGMJJ-GOSISDBHSA-N 1 0 316.489 3.494 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CCc3cccc(F)c32)CC1 ZINC000494567005 246166054 /nfs/dbraw/zinc/16/60/54/246166054.db2.gz XNWQFGQLXVEFHS-UHFFFAOYSA-N 1 0 319.424 3.020 10 0 DGAERO CN([C@@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000022210695 182313210 /nfs/dbraw/zinc/31/32/10/182313210.db2.gz REOCPOGYHNGHJV-NSHDSACASA-N 1 0 301.228 3.306 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000494690774 246182365 /nfs/dbraw/zinc/18/23/65/246182365.db2.gz MEIZDPDQLMJNFB-KRWDZBQOSA-N 1 0 305.418 3.095 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000495335302 246259174 /nfs/dbraw/zinc/25/91/74/246259174.db2.gz FNVMVLGZXCODOG-BTTYYORXSA-N 1 0 314.470 3.083 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000136191464 284496601 /nfs/dbraw/zinc/49/66/01/284496601.db2.gz BJZWLIPCEOUZQF-BXUZGUMPSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000246499124 432138478 /nfs/dbraw/zinc/13/84/78/432138478.db2.gz SKNXJPJOADFTKP-HNAWSFBYSA-N 1 0 314.473 3.449 10 0 DGAERO CCOc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000171527883 432141572 /nfs/dbraw/zinc/14/15/72/432141572.db2.gz LPKAMOWWFANZDW-MRXNPFEDSA-N 1 0 317.433 3.177 10 0 DGAERO c1cc([C@@H]2CCC[N@H+]2CCO[C@@H]2CCCCO2)cc2c1OCO2 ZINC000181680739 432142392 /nfs/dbraw/zinc/14/23/92/432142392.db2.gz PACMBHXVUCKSLX-MAUKXSAKSA-N 1 0 319.401 3.095 10 0 DGAERO CCc1cc(C)c(C(=O)N2CC[NH+](C3CCCCC3)CC2)o1 ZINC000151272542 284557052 /nfs/dbraw/zinc/55/70/52/284557052.db2.gz BNSJFTKFKKHDPB-UHFFFAOYSA-N 1 0 304.434 3.241 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246554715 432143521 /nfs/dbraw/zinc/14/35/21/432143521.db2.gz YUDIOEMJGDIPAO-XIRDDKMYSA-N 1 0 317.477 3.489 10 0 DGAERO Cc1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(Cl)c1 ZINC000246580039 432145409 /nfs/dbraw/zinc/14/54/09/432145409.db2.gz YCUKKYRANFJHBM-DOMZBBRYSA-N 1 0 309.841 3.499 10 0 DGAERO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000136134506 432145582 /nfs/dbraw/zinc/14/55/82/432145582.db2.gz HWRNRFMROOJKDY-AWEZNQCLSA-N 1 0 304.825 3.152 10 0 DGAERO CSc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246598424 432146949 /nfs/dbraw/zinc/14/69/49/432146949.db2.gz ZIBYLBKCXMNOMI-GXTWGEPZSA-N 1 0 307.463 3.259 10 0 DGAERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CC2CCCC2)CC1 ZINC000190351258 432147221 /nfs/dbraw/zinc/14/72/21/432147221.db2.gz CEYLHLAWQBOKNX-UHFFFAOYSA-N 1 0 324.509 3.305 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCC(=O)OC(C)(C)C ZINC000181852375 432147542 /nfs/dbraw/zinc/14/75/42/432147542.db2.gz DMKQJJRGNOUTMK-HNNXBMFYSA-N 1 0 321.465 3.296 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1(c2ccccc2F)CC1 ZINC000152296176 284612769 /nfs/dbraw/zinc/61/27/69/284612769.db2.gz CHNIKXHBWRLGRH-CQSZACIVSA-N 1 0 321.440 3.090 10 0 DGAERO CCCCOc1ccccc1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000136141608 432148692 /nfs/dbraw/zinc/14/86/92/432148692.db2.gz SYJNQQIYEFHWLU-UHFFFAOYSA-N 1 0 318.461 3.166 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1)N(C)C ZINC000038088609 182987810 /nfs/dbraw/zinc/98/78/10/182987810.db2.gz QKVWDGREKYTPSA-QWHCGFSZSA-N 1 0 300.393 3.149 10 0 DGAERO CCC(CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246611135 432148933 /nfs/dbraw/zinc/14/89/33/432148933.db2.gz NBRMMUFVOGXSMT-CRAIPNDOSA-N 1 0 317.477 3.235 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCCN2CCCCCC2=O)ccc1F ZINC000152589668 284630122 /nfs/dbraw/zinc/63/01/22/284630122.db2.gz BIDRHHMNOKCVIY-AWEZNQCLSA-N 1 0 322.424 3.278 10 0 DGAERO Cc1cc2nnc(SCCC[NH+](C)C)n2c2ccccc12 ZINC000040170104 183043700 /nfs/dbraw/zinc/04/37/00/183043700.db2.gz WOKSRPASKAGJDE-UHFFFAOYSA-N 1 0 300.431 3.235 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCSc1ccccc1F ZINC000041915708 183225419 /nfs/dbraw/zinc/22/54/19/183225419.db2.gz PPKMWFJNVIFWAP-ZDUSSCGKSA-N 1 0 312.454 3.154 10 0 DGAERO CC[NH+](CC)CCOc1ccccc1I ZINC000042418337 183266673 /nfs/dbraw/zinc/26/66/73/183266673.db2.gz JBBUTHJBAONWFC-UHFFFAOYSA-N 1 0 319.186 3.012 10 0 DGAERO CC(C)[N@H+](CCC(N)=S)Cc1cccc(Br)c1 ZINC000042529356 183280938 /nfs/dbraw/zinc/28/09/38/183280938.db2.gz IHAICRNPSANTBL-UHFFFAOYSA-N 1 0 315.280 3.336 10 0 DGAERO CN(Cc1csc(Br)c1)[C@H](C[NH3+])c1ccco1 ZINC000042361860 183257878 /nfs/dbraw/zinc/25/78/78/183257878.db2.gz PQSPNDOTDUYKQC-SNVBAGLBSA-N 1 0 315.236 3.235 10 0 DGAERO CC[NH2+]CCN(CC)Cc1cc(Br)ccc1F ZINC000042367497 183259622 /nfs/dbraw/zinc/25/96/22/183259622.db2.gz ZSDBRDWVROTNPD-UHFFFAOYSA-N 1 0 303.219 3.020 10 0 DGAERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)n1cc(Br)cn1 ZINC000043053276 183333103 /nfs/dbraw/zinc/33/31/03/183333103.db2.gz QKBBEEKALNLFQS-UFBFGSQYSA-N 1 0 314.614 3.236 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](SCCC(=O)OC)c1cccc(Cl)c1 ZINC000043019525 183328459 /nfs/dbraw/zinc/32/84/59/183328459.db2.gz MUOMXCFOUCPYLA-OCCSQVGLSA-N 1 0 301.839 3.415 10 0 DGAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)n1cc(Cl)cn1 ZINC000043022171 183329782 /nfs/dbraw/zinc/32/97/82/183329782.db2.gz GVCOEYIRMVYLGY-PELKAZGASA-N 1 0 314.614 3.236 10 0 DGAERO Cc1cc(C)n([C@H](c2cccc(Br)c2)[C@H](C)[NH3+])n1 ZINC000043022078 183330081 /nfs/dbraw/zinc/33/00/81/183330081.db2.gz NDNFCYKFMOVCEK-FZMZJTMJSA-N 1 0 308.223 3.199 10 0 DGAERO [NH3+]C[C@@H](Oc1ccc(CO)cc1)c1cccc(Br)c1 ZINC000043023964 183331542 /nfs/dbraw/zinc/33/15/42/183331542.db2.gz PPXYEUZZFHKSKK-OAHLLOKOSA-N 1 0 322.202 3.020 10 0 DGAERO CCN(c1cc(Br)ccc1C[NH2+]C)[C@@H](C)COC ZINC000042777535 183307543 /nfs/dbraw/zinc/30/75/43/183307543.db2.gz CLUPNOOVFUGZFJ-NSHDSACASA-N 1 0 315.255 3.030 10 0 DGAERO O[C@H](C[NH2+]C[C@@H]1CCCCO1)c1cc(Cl)ccc1Cl ZINC000042819734 183312045 /nfs/dbraw/zinc/31/20/45/183312045.db2.gz LRZUOKYEIAVNIW-SMDDNHRTSA-N 1 0 304.217 3.186 10 0 DGAERO CC(C)c1nccn1[C@H](C[NH3+])c1ccccc1Br ZINC000043093764 183336698 /nfs/dbraw/zinc/33/66/98/183336698.db2.gz LAJBXRWCBPIJIA-CYBMUJFWSA-N 1 0 308.223 3.317 10 0 DGAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCCCC1 ZINC000043258738 183348014 /nfs/dbraw/zinc/34/80/14/183348014.db2.gz RQHRWNGGAKQEAL-BXKDBHETSA-N 1 0 303.269 3.385 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)n1cc(C)cn1 ZINC000043093798 183336388 /nfs/dbraw/zinc/33/63/88/183336388.db2.gz SHTNCKLEKQTTPY-KBPBESRZSA-N 1 0 308.223 3.281 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1Cc1cc(Br)cs1 ZINC000043687681 183381049 /nfs/dbraw/zinc/38/10/49/183381049.db2.gz GZDCCGSIJOCQEC-LLVKDONJSA-N 1 0 303.269 3.085 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)ccc1F ZINC000154006152 284705410 /nfs/dbraw/zinc/70/54/10/284705410.db2.gz IRAKNGASRFFAMA-VXGBXAGGSA-N 1 0 319.424 3.466 10 0 DGAERO CCc1ccc([C@@H]2CCCN2C(=O)c2ccc3c[nH+]cn3c2)o1 ZINC000284438575 218026375 /nfs/dbraw/zinc/02/63/75/218026375.db2.gz UNOKLXKXUHAWEP-INIZCTEOSA-N 1 0 309.369 3.467 10 0 DGAERO CCCc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104991798 194062842 /nfs/dbraw/zinc/06/28/42/194062842.db2.gz PPSAVWFIYKJZIY-MRXNPFEDSA-N 1 0 301.434 3.341 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(F)c(F)cc1F ZINC000105046043 194066235 /nfs/dbraw/zinc/06/62/35/194066235.db2.gz HBRVZKLQEGXEMI-JTQLQIEISA-N 1 0 315.339 3.100 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@H](Nc2ccccc2)C(C)C)CCOCC1 ZINC000453105579 284741493 /nfs/dbraw/zinc/74/14/93/284741493.db2.gz XCZXLCXBVLMOLS-AEFFLSMTSA-N 1 0 320.477 3.297 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000105416792 194103062 /nfs/dbraw/zinc/10/30/62/194103062.db2.gz JZGSKJQLGOLUOH-UHFFFAOYSA-N 1 0 313.445 3.083 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)CC2 ZINC000105874319 194152901 /nfs/dbraw/zinc/15/29/01/194152901.db2.gz FQNCPLPMXHMMNV-NWDGAFQWSA-N 1 0 320.387 3.345 10 0 DGAERO COc1c(C)cnc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1C ZINC000105923365 194171174 /nfs/dbraw/zinc/17/11/74/194171174.db2.gz WXKCKPQQPGMDBO-MRXNPFEDSA-N 1 0 314.433 3.049 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000047925022 183609216 /nfs/dbraw/zinc/60/92/16/183609216.db2.gz HISLUTHSASDFNR-NWDGAFQWSA-N 1 0 313.392 3.055 10 0 DGAERO CCn1cnnc1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000105929567 194172845 /nfs/dbraw/zinc/17/28/45/194172845.db2.gz GCXGHFBSJHYXMN-UHFFFAOYSA-N 1 0 304.825 3.331 10 0 DGAERO C[N@H+](CCCc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076931 194184550 /nfs/dbraw/zinc/18/45/50/194184550.db2.gz XCQFBPJBPCPECV-GOSISDBHSA-N 1 0 310.445 3.010 10 0 DGAERO CCOc1ccccc1C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000106166561 194189397 /nfs/dbraw/zinc/18/93/97/194189397.db2.gz BNJICDMMCMGDHW-UHFFFAOYSA-N 1 0 313.445 3.274 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000106216636 194190884 /nfs/dbraw/zinc/19/08/84/194190884.db2.gz QJKORUBDGOSXHD-HNNXBMFYSA-N 1 0 317.408 3.430 10 0 DGAERO CCc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000106431908 194212633 /nfs/dbraw/zinc/21/26/33/194212633.db2.gz UAUJRIWKHBXZKF-QGZVFWFLSA-N 1 0 316.470 3.100 10 0 DGAERO Cc1cccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000049073589 183710413 /nfs/dbraw/zinc/71/04/13/183710413.db2.gz FSKRSEUOQGWNBP-UHFFFAOYSA-N 1 0 300.446 3.251 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1CSC ZINC000184780817 284807024 /nfs/dbraw/zinc/80/70/24/284807024.db2.gz PCQUKUWUJSWBCN-CYBMUJFWSA-N 1 0 309.479 3.401 10 0 DGAERO COc1ccc(Br)cc1C[C@H]([NH3+])c1ccncc1 ZINC000049599018 183746731 /nfs/dbraw/zinc/74/67/31/183746731.db2.gz MCXCNLVPDUXXAM-ZDUSSCGKSA-N 1 0 307.191 3.095 10 0 DGAERO O=C(c1ccnc2ccccc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107524487 194255979 /nfs/dbraw/zinc/25/59/79/194255979.db2.gz OPRDPEJXUWLRJE-MRXNPFEDSA-N 1 0 323.440 3.325 10 0 DGAERO CCCc1cc(NN)[nH+]c(-c2ccccc2Br)n1 ZINC000051152754 183818100 /nfs/dbraw/zinc/81/81/00/183818100.db2.gz QPHZYBJRICUBGX-UHFFFAOYSA-N 1 0 307.195 3.144 10 0 DGAERO C[C@@H](C(=O)NCCCc1cccc(F)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000109700384 194280185 /nfs/dbraw/zinc/28/01/85/194280185.db2.gz ADZMTFMZSCMQEB-KFWWJZLASA-N 1 0 306.425 3.136 10 0 DGAERO CCn1c2ccc(F)cc2nc1C[N@H+](CCCO)CC(C)(C)C ZINC000109747761 194282231 /nfs/dbraw/zinc/28/22/31/194282231.db2.gz UGFHYJZKMJTIJR-UHFFFAOYSA-N 1 0 321.440 3.426 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000245654703 284833817 /nfs/dbraw/zinc/83/38/17/284833817.db2.gz CICAESIHROSPBW-OAGGEKHMSA-N 1 0 321.465 3.493 10 0 DGAERO Cc1ccn(-c2ncc(Br)cc2C[NH2+]CC(C)C)n1 ZINC000052885183 183878715 /nfs/dbraw/zinc/87/87/15/183878715.db2.gz RXCJDWAHDGGUOC-UHFFFAOYSA-N 1 0 323.238 3.084 10 0 DGAERO CC1(C)[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@H]2CCCO[C@H]21 ZINC000245824014 284846096 /nfs/dbraw/zinc/84/60/96/284846096.db2.gz AQKXCNYQNYNAFE-DAXOMENPSA-N 1 0 311.372 3.137 10 0 DGAERO Fc1ccc(Br)cc1N1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053031235 183884096 /nfs/dbraw/zinc/88/40/96/183884096.db2.gz DFBIWUMETUQARP-JTQLQIEISA-N 1 0 313.214 3.167 10 0 DGAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000245922798 284855016 /nfs/dbraw/zinc/85/50/16/284855016.db2.gz RBAIIEPKJQNQIK-IMJJTQAJSA-N 1 0 320.481 3.028 10 0 DGAERO C[NH2+][C@@H](C)c1cnc(-c2cccc(Br)c2)nc1C ZINC000054962821 183955620 /nfs/dbraw/zinc/95/56/20/183955620.db2.gz BVQIRFUZORYWCY-VIFPVBQESA-N 1 0 306.207 3.495 10 0 DGAERO COCCC1(C[NH2+][C@H]2Cc3ccccc3[C@H]2O)CCCCC1 ZINC000189211241 284864895 /nfs/dbraw/zinc/86/48/95/284864895.db2.gz ZVWCXZKWSNUJLQ-ZWKOTPCHSA-N 1 0 303.446 3.221 10 0 DGAERO CCOC(=O)CCC[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000057620967 184042516 /nfs/dbraw/zinc/04/25/16/184042516.db2.gz VMFZLXVFIWYQES-MRXNPFEDSA-N 1 0 321.417 3.184 10 0 DGAERO CC(C)(C)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000057831059 184055948 /nfs/dbraw/zinc/05/59/48/184055948.db2.gz WBODSILIMZFMPG-UHFFFAOYSA-N 1 0 310.246 3.155 10 0 DGAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000061273899 184167568 /nfs/dbraw/zinc/16/75/68/184167568.db2.gz TXWGQKHIJLWIKO-MNOVXSKESA-N 1 0 313.239 3.014 10 0 DGAERO [NH3+]C[C@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000061610843 184178805 /nfs/dbraw/zinc/17/88/05/184178805.db2.gz XSAINRQSCDFWMP-AWEZNQCLSA-N 1 0 319.202 3.130 10 0 DGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1Cl ZINC000061692436 184183371 /nfs/dbraw/zinc/18/33/71/184183371.db2.gz BOYZCLBDESYAOR-HQJQHLMTSA-N 1 0 319.630 3.414 10 0 DGAERO Brc1cccnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062033149 184202309 /nfs/dbraw/zinc/20/23/09/184202309.db2.gz OXFYOXFPQGVAJK-UHFFFAOYSA-N 1 0 324.266 3.156 10 0 DGAERO [NH3+][C@H](CNC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000062838129 184255451 /nfs/dbraw/zinc/25/54/51/184255451.db2.gz DVYRGPJEAXFKSC-CQSZACIVSA-N 1 0 309.196 3.423 10 0 DGAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000063211231 184278552 /nfs/dbraw/zinc/27/85/52/184278552.db2.gz PLSVOCBTWMTGSY-VXGBXAGGSA-N 1 0 301.217 3.383 10 0 DGAERO CC1(C)CCCN1[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000063066298 184269187 /nfs/dbraw/zinc/26/91/87/184269187.db2.gz LVVWPYFGEIMJHK-CYBMUJFWSA-N 1 0 315.230 3.462 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1ccc(F)c(F)c1 ZINC000112516364 194481582 /nfs/dbraw/zinc/48/15/82/194481582.db2.gz BFBOKHHGEVZNHP-BDAKNGLRSA-N 1 0 311.357 3.099 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(CSC)cc1 ZINC000067352081 184461416 /nfs/dbraw/zinc/46/14/16/184461416.db2.gz IAYSSDJUQDEKCE-CYBMUJFWSA-N 1 0 309.479 3.401 10 0 DGAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000312529280 532952609 /nfs/dbraw/zinc/95/26/09/532952609.db2.gz PMFXPKHRTZNRTB-GHMZBOCLSA-N 1 0 311.834 3.136 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116532649 194754402 /nfs/dbraw/zinc/75/44/02/194754402.db2.gz BXOXPBHBZXANNW-CABCVRRESA-N 1 0 307.438 3.102 10 0 DGAERO Brc1ccc2ncc(C[NH2+]C[C@@H]3C[C@H]3C3CC3)n2c1 ZINC000449740259 532965810 /nfs/dbraw/zinc/96/58/10/532965810.db2.gz FMGWXZGYTBIERJ-FZMZJTMJSA-N 1 0 320.234 3.233 10 0 DGAERO C[C@@H]1CCCC[C@H]1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000248502505 285002255 /nfs/dbraw/zinc/00/22/55/285002255.db2.gz UJKXBMCXMQVSCY-IKGGRYGDSA-N 1 0 302.466 3.204 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000088478721 252609830 /nfs/dbraw/zinc/60/98/30/252609830.db2.gz ITCHXOOKNROPOZ-CQSZACIVSA-N 1 0 309.429 3.226 10 0 DGAERO Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Cl ZINC000248586740 285008587 /nfs/dbraw/zinc/00/85/87/285008587.db2.gz GFOWBAOFYKOVEY-DZGCQCFKSA-N 1 0 323.868 3.273 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)C(F)(F)F ZINC000248591853 285009210 /nfs/dbraw/zinc/00/92/10/285009210.db2.gz ZWIUQBYFSZTJTA-RRFJBIMHSA-N 1 0 301.352 3.301 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCCc3sccc32)C1 ZINC000248602744 285009846 /nfs/dbraw/zinc/00/98/46/285009846.db2.gz DJWGOEJTEABYFL-SNPRPXQTSA-N 1 0 321.490 3.153 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)cc1Cl ZINC000248650442 285013951 /nfs/dbraw/zinc/01/39/51/285013951.db2.gz ACYNIMZLVBLBNF-KBPBESRZSA-N 1 0 306.837 3.347 10 0 DGAERO CCCCOC[C@@H](O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000248644453 285013349 /nfs/dbraw/zinc/01/33/49/285013349.db2.gz FLCNEXLANFBCLW-ROUUACIJSA-N 1 0 323.502 3.263 10 0 DGAERO Cc1ccc([C@H](NC(=O)[C@@H](C)C2C[NH2+]C2)c2ccccc2)cc1 ZINC000262249615 207677054 /nfs/dbraw/zinc/67/70/54/207677054.db2.gz SLCXUJBOGRFZCV-HNAYVOBHSA-N 1 0 308.425 3.056 10 0 DGAERO C[C@H]1CCC[C@@H](CC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000262238342 207678298 /nfs/dbraw/zinc/67/82/98/207678298.db2.gz OUCFUXXZLXHJRA-ISARSNTHSA-N 1 0 314.473 3.404 10 0 DGAERO CC1(C)C[N@H+](CCO[C@H]2CCCCO2)CC[C@@H]1C(F)(F)F ZINC000248753383 285023597 /nfs/dbraw/zinc/02/35/97/285023597.db2.gz HMXUBTOBZONHKL-STQMWFEESA-N 1 0 309.372 3.440 10 0 DGAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC000248859800 285033145 /nfs/dbraw/zinc/03/31/45/285033145.db2.gz RUZVNIARNTUXTC-BJZITVGISA-N 1 0 324.424 3.317 10 0 DGAERO [NH3+][C@H](CC(=O)N1CCCC[C@@H]1c1nccs1)c1ccccc1 ZINC000119623374 195005132 /nfs/dbraw/zinc/00/51/32/195005132.db2.gz GKUGGLTUYQTJRA-HUUCEWRRSA-N 1 0 315.442 3.287 10 0 DGAERO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1cscn1 ZINC000119991660 195076378 /nfs/dbraw/zinc/07/63/78/195076378.db2.gz CBNKDYBKVDYGJM-ZDUSSCGKSA-N 1 0 306.431 3.271 10 0 DGAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000249107353 285056257 /nfs/dbraw/zinc/05/62/57/285056257.db2.gz VOBYHHWPTPOIOE-KSZLIROESA-N 1 0 305.462 3.163 10 0 DGAERO Cc1noc([C@@H](C)N2CC[NH+](C[C@@H]3C(C)=CCC[C@@H]3C)CC2)n1 ZINC000249110147 285056888 /nfs/dbraw/zinc/05/68/88/285056888.db2.gz RESUDGBHMAOXAI-ZMSDIMECSA-N 1 0 318.465 3.049 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cncc(F)c1 ZINC000120001365 195078075 /nfs/dbraw/zinc/07/80/75/195078075.db2.gz IZWFESILVPIPMJ-SMDDNHRTSA-N 1 0 320.799 3.199 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)on1 ZINC000120097706 195096402 /nfs/dbraw/zinc/09/64/02/195096402.db2.gz PURAFABKNJSFML-CQSZACIVSA-N 1 0 315.417 3.471 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@@H]3C(C)=CCC[C@@H]3C)CC2)nn1 ZINC000249127389 285058072 /nfs/dbraw/zinc/05/80/72/285058072.db2.gz VDNRJLKPJLRJME-FUHWJXTLSA-N 1 0 314.477 3.290 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000249242981 285064655 /nfs/dbraw/zinc/06/46/55/285064655.db2.gz DHRRBGYNUWGTDO-UBDQQSCGSA-N 1 0 303.446 3.385 10 0 DGAERO CCN(C(=O)N[C@H](C)C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249273678 285065805 /nfs/dbraw/zinc/06/58/05/285065805.db2.gz BZXFZJHHEODWEN-SJLPKXTDSA-N 1 0 317.477 3.337 10 0 DGAERO C[C@H]([NH2+]CC1(CCO)CC1)c1cc(Br)cs1 ZINC000336670754 252994526 /nfs/dbraw/zinc/99/45/26/252994526.db2.gz ZHFNWTMMQIOBTH-VIFPVBQESA-N 1 0 304.253 3.324 10 0 DGAERO CC1CCC(C[NH2+]CCn2cc(Br)cn2)CC1 ZINC000336730088 252999169 /nfs/dbraw/zinc/99/91/69/252999169.db2.gz XUJHNBXMCZHQRD-UHFFFAOYSA-N 1 0 300.244 3.062 10 0 DGAERO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249540230 285079786 /nfs/dbraw/zinc/07/97/86/285079786.db2.gz DRBUIFVSBMHUFM-KUHUBIRLSA-N 1 0 319.445 3.271 10 0 DGAERO C[C@]12CC3CC(C(=O)N4CC[N@@H+]5CCC[C@H]5C4)(C1)C[C@@](C)(C3)C2 ZINC000249832663 285089864 /nfs/dbraw/zinc/08/98/64/285089864.db2.gz POTHKPYGBXPWLX-VYOWGEPCSA-N 1 0 316.489 3.290 10 0 DGAERO CC(C)OC1CC([NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000249971683 285091514 /nfs/dbraw/zinc/09/15/14/285091514.db2.gz KOQLVSQFYFANQQ-GNNGFNCTSA-N 1 0 324.415 3.256 10 0 DGAERO COCC[N@@H+]1CCN(C[C@H](C)c2cccc(Cl)c2)C[C@@H]1C ZINC000249990870 285092207 /nfs/dbraw/zinc/09/22/07/285092207.db2.gz ZTEMBMZEQYUVBZ-GJZGRUSLSA-N 1 0 310.869 3.096 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1sccc1Br)[S@](C)=O ZINC000252728587 285104870 /nfs/dbraw/zinc/10/48/70/285104870.db2.gz BZJBLXSYYWBLGD-GLSBUQGYSA-N 1 0 324.309 3.318 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCNc1cnccn1 ZINC000338195301 253240877 /nfs/dbraw/zinc/24/08/77/253240877.db2.gz MWAUMGXLRFTBJG-RAXLEYEMSA-N 1 0 302.809 3.235 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000253548384 285110348 /nfs/dbraw/zinc/11/03/48/285110348.db2.gz HCPRCVWRBMPQOO-OLMNPRSZSA-N 1 0 318.436 3.405 10 0 DGAERO CC(C)c1ccc([C@@H](C)CC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000158684832 197293973 /nfs/dbraw/zinc/29/39/73/197293973.db2.gz JYJQSSJKHLDFOA-YJBOKZPZSA-N 1 0 302.462 3.466 10 0 DGAERO c1sc(CC[NH2+][C@@H]2CCCSC2)nc1-c1ccncc1 ZINC000272910859 210298763 /nfs/dbraw/zinc/29/87/63/210298763.db2.gz WRDXQJKADCDXFN-CYBMUJFWSA-N 1 0 305.472 3.233 10 0 DGAERO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C1(C)CC1 ZINC000340460622 253626048 /nfs/dbraw/zinc/62/60/48/253626048.db2.gz NRDTXELTHCPVBS-SECBINFHSA-N 1 0 312.207 3.456 10 0 DGAERO Cc1ccc(C[N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)o1 ZINC000158538022 197281364 /nfs/dbraw/zinc/28/13/64/197281364.db2.gz UZROKDYOJYQMLU-UHFFFAOYSA-N 1 0 306.450 3.305 10 0 DGAERO Cc1ccc(/C=C\CC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000255337344 285147577 /nfs/dbraw/zinc/14/75/77/285147577.db2.gz NZJCFHACEDFSOY-ARJAWSKDSA-N 1 0 300.446 3.246 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000342837831 254062644 /nfs/dbraw/zinc/06/26/44/254062644.db2.gz KNNBPINTTDGTSF-QGZVFWFLSA-N 1 0 315.442 3.208 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CCCC1 ZINC000172234061 533121532 /nfs/dbraw/zinc/12/15/32/533121532.db2.gz CNNYQEXLEMYUQB-NVXWUHKLSA-N 1 0 307.482 3.225 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2cn3c(cccc3C)n2)s1 ZINC000157447740 197188558 /nfs/dbraw/zinc/18/85/58/197188558.db2.gz FVLLUSYBDZCVFL-UHFFFAOYSA-N 1 0 300.431 3.082 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C/C=C\c1ccc(C)cc1 ZINC000255671822 285172999 /nfs/dbraw/zinc/17/29/99/285172999.db2.gz BECMNVKHFMJRST-FHLMBLHRSA-N 1 0 312.457 3.484 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344647127 254292857 /nfs/dbraw/zinc/29/28/57/254292857.db2.gz RMILDGXLZUZTHZ-HOCLYGCPSA-N 1 0 310.482 3.009 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000344300956 254253612 /nfs/dbraw/zinc/25/36/12/254253612.db2.gz SGFZQWBQRBSALL-MRXNPFEDSA-N 1 0 312.413 3.177 10 0 DGAERO c1c(C[NH2+][C@H]2CSc3ccccc32)[nH]nc1-c1cccnc1 ZINC000344456189 254272637 /nfs/dbraw/zinc/27/26/37/254272637.db2.gz HEUODYKQNUGRPT-INIZCTEOSA-N 1 0 308.410 3.408 10 0 DGAERO C[C@@H]([NH3+])C(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000157121524 197164206 /nfs/dbraw/zinc/16/42/06/197164206.db2.gz QOKXXVHKCHKGMG-PXAZEXFGSA-N 1 0 314.454 3.180 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000255925829 285188704 /nfs/dbraw/zinc/18/87/04/285188704.db2.gz DMWPZSYIEUSJKW-OSJSJHBBSA-N 1 0 306.425 3.322 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000255925828 285188810 /nfs/dbraw/zinc/18/88/10/285188810.db2.gz DMWPZSYIEUSJKW-KEGWNNHHSA-N 1 0 306.425 3.322 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000344795983 254306197 /nfs/dbraw/zinc/30/61/97/254306197.db2.gz QEKMGQPOECJYDN-CYBMUJFWSA-N 1 0 315.442 3.396 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000155216856 197032724 /nfs/dbraw/zinc/03/27/24/197032724.db2.gz FEEBQFGFSCSEIT-HUUCEWRRSA-N 1 0 324.415 3.277 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c(C)nn1C ZINC000155155766 197027383 /nfs/dbraw/zinc/02/73/83/197027383.db2.gz CSQDYCYMQZGZKN-KRWDZBQOSA-N 1 0 315.417 3.083 10 0 DGAERO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1COc2ccccc21 ZINC000120367251 195152506 /nfs/dbraw/zinc/15/25/06/195152506.db2.gz LMGUGNDVHWMMGL-RDTXWAMCSA-N 1 0 324.424 3.043 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000177711566 285241218 /nfs/dbraw/zinc/24/12/18/285241218.db2.gz WHLAFNPDONZLIQ-DLBZAZTESA-N 1 0 317.477 3.047 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000153805215 196910307 /nfs/dbraw/zinc/91/03/07/196910307.db2.gz FRCBNAJUUCRMAS-WDYCEAGBSA-N 1 0 313.445 3.133 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000120397857 195157897 /nfs/dbraw/zinc/15/78/97/195157897.db2.gz IVAQGOSAIUUVJO-CJNGLKHVSA-N 1 0 307.413 3.328 10 0 DGAERO Cc1nc2cc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)ccc2o1 ZINC000120575616 195194140 /nfs/dbraw/zinc/19/41/40/195194140.db2.gz ZMJVWJWYFHQDKU-SRVKXCTJSA-N 1 0 301.390 3.336 10 0 DGAERO COC(=O)[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccccc1C ZINC000120553491 195188551 /nfs/dbraw/zinc/18/85/51/195188551.db2.gz RBWBCDCANRMKNQ-SFHVURJKSA-N 1 0 310.397 3.267 10 0 DGAERO CC(C)n1cccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000120560742 195189502 /nfs/dbraw/zinc/18/95/02/195189502.db2.gz KOWSEOMMMBTHLA-UHFFFAOYSA-N 1 0 303.450 3.017 10 0 DGAERO COc1ccc(C(C)(C)CNC(=[NH2+])N2CCC(C)CC2)cc1 ZINC000303361762 285282012 /nfs/dbraw/zinc/28/20/12/285282012.db2.gz CVPVHYHHPWBNSV-UHFFFAOYSA-N 1 0 303.450 3.229 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2cccs2)cc1F ZINC000120902594 195261066 /nfs/dbraw/zinc/26/10/66/195261066.db2.gz SMLNAAPMOJOKGG-HIFRSBDPSA-N 1 0 323.433 3.424 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(F)c2C)[C@H](C)C1 ZINC000120906512 195261408 /nfs/dbraw/zinc/26/14/08/195261408.db2.gz UYJGVKPGMGNZHN-MLGOLLRUSA-N 1 0 307.413 3.328 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2nc(C)ccc2c1 ZINC000151483998 196686777 /nfs/dbraw/zinc/68/67/77/196686777.db2.gz YVTYMZQIPBISQQ-KRWDZBQOSA-N 1 0 311.429 3.100 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000300414165 285315997 /nfs/dbraw/zinc/31/59/97/285315997.db2.gz IMORKCABUXHATB-WKPIXPDZSA-N 1 0 310.235 3.187 10 0 DGAERO Cc1cccnc1CC[NH2+]Cc1ccc(Br)cc1 ZINC000294915081 224306883 /nfs/dbraw/zinc/30/68/83/224306883.db2.gz FEQJXMVLTAFKRT-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO c1ccc(C[N@H+]2CC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)cc1 ZINC000253595915 257105600 /nfs/dbraw/zinc/10/56/00/257105600.db2.gz KVFIAGLMNOHSFL-VQTJNVASSA-N 1 0 324.424 3.032 10 0 DGAERO COc1ccc([C@H]2CCCN2Cc2cncs2)c(OC)c1 ZINC000120997573 195276986 /nfs/dbraw/zinc/27/69/86/195276986.db2.gz YIQRHIDEUFNROG-OAHLLOKOSA-N 1 0 304.415 3.497 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@@H]1CC ZINC000121003296 195277959 /nfs/dbraw/zinc/27/79/59/195277959.db2.gz LUAGCHNGRIDWBX-UEKDZROGSA-N 1 0 320.452 3.272 10 0 DGAERO COc1ccccc1/C=C/C[NH+]1CCC(Cn2cccn2)CC1 ZINC000122089502 195399841 /nfs/dbraw/zinc/39/98/41/195399841.db2.gz UAWXEKWQKXYEIH-QPJJXVBHSA-N 1 0 311.429 3.317 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000123365039 195573309 /nfs/dbraw/zinc/57/33/09/195573309.db2.gz WBSKXCXYGLNPHQ-SFHVURJKSA-N 1 0 312.461 3.301 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000125499632 195756702 /nfs/dbraw/zinc/75/67/02/195756702.db2.gz NUHYIOSQEODOAR-DOMZBBRYSA-N 1 0 317.351 3.145 10 0 DGAERO C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1COc2ccccc21 ZINC000126398707 195837075 /nfs/dbraw/zinc/83/70/75/195837075.db2.gz NUMAWHPOWSQJLU-KDOFPFPSSA-N 1 0 324.424 3.043 10 0 DGAERO c1c[nH]c([C@H]([NH2+][C@@H]2CCc3ccccc3C2)c2cccnc2)n1 ZINC000279994210 285427871 /nfs/dbraw/zinc/42/78/71/285427871.db2.gz FMTQYZAMOLIHQO-QZTJIDSGSA-N 1 0 304.397 3.041 10 0 DGAERO COC(=O)[C@]12CCC[C@H]1CN(c1cc[nH+]c3c(C)cccc13)C2 ZINC000302211226 533640548 /nfs/dbraw/zinc/64/05/48/533640548.db2.gz YQGWEHJGWUYZKY-LIRRHRJNSA-N 1 0 310.397 3.323 10 0 DGAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(CCO)CC1 ZINC000188065324 533661376 /nfs/dbraw/zinc/66/13/76/533661376.db2.gz MKTMEMSNPHZRLO-ZDUSSCGKSA-N 1 0 313.388 3.361 10 0 DGAERO c1csc(N2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)c1 ZINC000194076605 285568386 /nfs/dbraw/zinc/56/83/86/285568386.db2.gz WXVRPNMJWDFRGN-HYVNUMGLSA-N 1 0 318.486 3.264 10 0 DGAERO CCN1CC[NH2+][C@H](c2cccc(N(C)C(=O)OC(C)(C)C)c2)C1 ZINC000616632755 400188911 /nfs/dbraw/zinc/18/89/11/400188911.db2.gz PELOBLZJFIGHPJ-INIZCTEOSA-N 1 0 319.449 3.024 10 0 DGAERO CC(=O)Nc1cccc([C@@H]2CCc3ccccc3N2CC[NH3+])c1 ZINC000616593763 400180485 /nfs/dbraw/zinc/18/04/85/400180485.db2.gz LWPNSNKDPPMUSY-IBGZPJMESA-N 1 0 309.413 3.098 10 0 DGAERO OCCc1ccccc1[C@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616597564 400181177 /nfs/dbraw/zinc/18/11/77/400181177.db2.gz BIUREIJORGILEM-HXUWFJFHSA-N 1 0 311.425 3.185 10 0 DGAERO FC(F)(F)C1CCC([NH2+]C[C@H]2CCc3nccn3C2)CC1 ZINC000328641244 400183471 /nfs/dbraw/zinc/18/34/71/400183471.db2.gz QNAVYNFNNPWHPF-PNESKVBLSA-N 1 0 301.356 3.156 10 0 DGAERO C[N@@H+](Cc1cccc(Cl)c1F)C[C@H]1CCc2nccn2C1 ZINC000328656601 400184057 /nfs/dbraw/zinc/18/40/57/400184057.db2.gz ZMBFNWLNOGSSEJ-GFCCVEGCSA-N 1 0 307.800 3.370 10 0 DGAERO Cc1ccsc1CN(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328636203 400184132 /nfs/dbraw/zinc/18/41/32/400184132.db2.gz NYEBLOFEKJFUSU-MRXNPFEDSA-N 1 0 301.459 3.063 10 0 DGAERO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000008247846 400121610 /nfs/dbraw/zinc/12/16/10/400121610.db2.gz PNLHLOXDTIIVRG-LLVKDONJSA-N 1 0 320.339 3.263 10 0 DGAERO Nc1cc(Cl)nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000306685452 400125494 /nfs/dbraw/zinc/12/54/94/400125494.db2.gz JADXXYBORDYNSM-CQSZACIVSA-N 1 0 302.809 3.004 10 0 DGAERO C[C@@H]1CS[C@H](c2cccc(I)c2)[NH2+]1 ZINC000306651487 400125798 /nfs/dbraw/zinc/12/57/98/400125798.db2.gz SLYPUXZZJUPEAC-GMSGAONNSA-N 1 0 305.184 3.015 10 0 DGAERO CC(C)SCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000609130349 400141569 /nfs/dbraw/zinc/14/15/69/400141569.db2.gz WYTNDFDUNMPVPR-INIZCTEOSA-N 1 0 312.523 3.243 10 0 DGAERO Nc1cccc(OCCC[NH2+]C[C@H]2CCc3ccccc3O2)c1 ZINC000012356087 400148157 /nfs/dbraw/zinc/14/81/57/400148157.db2.gz LZDHUMNPJASCMA-GOSISDBHSA-N 1 0 312.413 3.021 10 0 DGAERO C[NH+](C)CCn1cc(NC(=O)Nc2cccc(C(F)F)c2)cn1 ZINC000586783737 400156349 /nfs/dbraw/zinc/15/63/49/400156349.db2.gz VFWNAYPHOXEDLX-UHFFFAOYSA-N 1 0 323.347 3.026 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3ccc4cnccc4c3)C2)cc1 ZINC000616631549 400187866 /nfs/dbraw/zinc/18/78/66/400187866.db2.gz AVFDDCZIJPJEAH-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2ccncc2)C1 ZINC000616628554 400188262 /nfs/dbraw/zinc/18/82/62/400188262.db2.gz OZBQAASYVTXGQT-INIZCTEOSA-N 1 0 319.449 3.176 10 0 DGAERO Cc1ccccc1[C@H]([C@H](C)NC(=O)CCOCC(C)C)[NH+](C)C ZINC000357856916 285898361 /nfs/dbraw/zinc/89/83/61/285898361.db2.gz TZIJHFSDUBCPIN-LPHOPBHVSA-N 1 0 320.477 3.165 10 0 DGAERO CC(C)[N@@H+]1CCN[C@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616632668 400189729 /nfs/dbraw/zinc/18/97/29/400189729.db2.gz NXUQXLVPEDZIDJ-INIZCTEOSA-N 1 0 319.449 3.388 10 0 DGAERO CC(C)N1CC[NH2+]C[C@@H]1c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000616636697 400189842 /nfs/dbraw/zinc/18/98/42/400189842.db2.gz APSKRUYBBHXXPE-MRXNPFEDSA-N 1 0 319.449 3.388 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2ccc3cccnc3c2)cc1 ZINC000616635476 400190182 /nfs/dbraw/zinc/19/01/82/400190182.db2.gz FWPGPPRDEBLKTP-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CC(=O)Nc1cccc([C@H]2CCc3ccccc3N2CC[NH3+])c1 ZINC000616669155 400197968 /nfs/dbraw/zinc/19/79/68/400197968.db2.gz LWPNSNKDPPMUSY-LJQANCHMSA-N 1 0 309.413 3.098 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cnc3ccccc3c2)Cc2ccccc21 ZINC000616673404 400198860 /nfs/dbraw/zinc/19/88/60/400198860.db2.gz XOUDDJCIGOVRHC-SFHVURJKSA-N 1 0 303.409 3.340 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1cncc2ccccc21 ZINC000616678583 400200184 /nfs/dbraw/zinc/20/01/84/400200184.db2.gz JXFOJFLUEYMZNC-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cnc2ccccc2c1 ZINC000616679125 400200580 /nfs/dbraw/zinc/20/05/80/400200580.db2.gz CXZFACGTMUAFID-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]CCOC1CCC1)c1ccccc1 ZINC000588204613 400201299 /nfs/dbraw/zinc/20/12/99/400201299.db2.gz DZIXIGKTJDNDEU-INIZCTEOSA-N 1 0 305.418 3.086 10 0 DGAERO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCC1 ZINC000386821164 400263934 /nfs/dbraw/zinc/26/39/34/400263934.db2.gz UDKWLKLKTUULIJ-BCDXTJNWSA-N 1 0 312.457 3.203 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccsc1Br ZINC000388894252 400267730 /nfs/dbraw/zinc/26/77/30/400267730.db2.gz PVYTXXQAYVCKHT-GHMZBOCLSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@H](NC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1Cl ZINC000399083624 400288115 /nfs/dbraw/zinc/28/81/15/400288115.db2.gz SYDOKCPOGJRJAH-NSHDSACASA-N 1 0 317.260 3.101 10 0 DGAERO C[C@H]([NH2+]C1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000399063618 400288254 /nfs/dbraw/zinc/28/82/54/400288254.db2.gz LVAWFOJASRKBTI-NSHDSACASA-N 1 0 317.260 3.101 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000106426785 400326291 /nfs/dbraw/zinc/32/62/91/400326291.db2.gz SARTVQHOCUNORM-GOSISDBHSA-N 1 0 300.446 3.166 10 0 DGAERO Cc1ccccc1OCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182564 400325093 /nfs/dbraw/zinc/32/50/93/400325093.db2.gz WEMKVFQMTHFVIC-UHFFFAOYSA-N 1 0 313.445 3.373 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c(Br)c1 ZINC000384932162 400261040 /nfs/dbraw/zinc/26/10/40/400261040.db2.gz QEMCUUFDODTEBJ-ISTVAULSSA-N 1 0 314.223 3.113 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000113267324 400378800 /nfs/dbraw/zinc/37/88/00/400378800.db2.gz GPHROWHXICOFLT-WCQYABFASA-N 1 0 317.260 3.365 10 0 DGAERO Cc1cc(NC(=O)C2CCC([NH3+])CC2)ccc1Br ZINC000037622924 400394752 /nfs/dbraw/zinc/39/47/52/400394752.db2.gz FMBOTEKOSXZRTO-UHFFFAOYSA-N 1 0 311.223 3.214 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000106426784 400326444 /nfs/dbraw/zinc/32/64/44/400326444.db2.gz SARTVQHOCUNORM-SFHVURJKSA-N 1 0 300.446 3.166 10 0 DGAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)C(C)C)c1 ZINC000114910817 400391065 /nfs/dbraw/zinc/39/10/65/400391065.db2.gz NHTXSUAPFDSCBW-MRXNPFEDSA-N 1 0 305.466 3.113 10 0 DGAERO C[C@H]([NH3+])CCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000070317682 400353345 /nfs/dbraw/zinc/35/33/45/400353345.db2.gz FZGYSDDQDJRLQD-ZBEGNZNMSA-N 1 0 306.406 3.220 10 0 DGAERO COc1cccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C)[NH+](C)C)c1 ZINC000112432834 400373483 /nfs/dbraw/zinc/37/34/83/400373483.db2.gz FUYJKWPQGNWIKL-CZUORRHYSA-N 1 0 321.465 3.032 10 0 DGAERO C[C@H]1CCC[N@@H+]1CCCOc1ccc(N2CCCC2=O)cc1 ZINC000117073834 400413742 /nfs/dbraw/zinc/41/37/42/400413742.db2.gz YNFRMPUGCGAHSJ-HNNXBMFYSA-N 1 0 302.418 3.067 10 0 DGAERO C[C@]12CC[C@@H]3c4ccc(OCC[NH3+])cc4CC[C@H]3[C@@H]1CCC2=O ZINC000038440873 400396047 /nfs/dbraw/zinc/39/60/47/400396047.db2.gz CMRRRUCMFIWSCT-XSYGEPLQSA-N 1 0 313.441 3.449 10 0 DGAERO Cc1cccc(NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000117722547 400421139 /nfs/dbraw/zinc/42/11/39/400421139.db2.gz OEKUFHBJXGEOIL-KRWDZBQOSA-N 1 0 311.385 3.300 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc2cc(F)ccc2o1 ZINC000117767785 400422195 /nfs/dbraw/zinc/42/21/95/400422195.db2.gz CDYVKAUNFXDVEM-AWEZNQCLSA-N 1 0 306.381 3.278 10 0 DGAERO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c(C)[nH]1 ZINC000590738978 400426453 /nfs/dbraw/zinc/42/64/53/400426453.db2.gz YMUBJTFMBMDRKT-UHFFFAOYSA-N 1 0 313.445 3.144 10 0 DGAERO CC(C)(C)OCC[NH2+]Cc1cc(Br)ccc1F ZINC000122182732 400459327 /nfs/dbraw/zinc/45/93/27/400459327.db2.gz PGBIVUIVLXBUHH-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000121811423 400457185 /nfs/dbraw/zinc/45/71/85/400457185.db2.gz XWEAOCSBSGCITM-GOSISDBHSA-N 1 0 302.462 3.054 10 0 DGAERO COCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000127824020 400506958 /nfs/dbraw/zinc/50/69/58/400506958.db2.gz JSCIYOWJCBMEEJ-DLBZAZTESA-N 1 0 324.509 3.208 10 0 DGAERO Cn1cc(-c2nc(C[N@H+](C3CC3)C3CCCC3)cs2)cn1 ZINC000590925992 400462198 /nfs/dbraw/zinc/46/21/98/400462198.db2.gz HVERHEGMYAMQGL-UHFFFAOYSA-N 1 0 302.447 3.451 10 0 DGAERO C[NH2+]CCC1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000123670214 400471149 /nfs/dbraw/zinc/47/11/49/400471149.db2.gz LTEVHTWETUOJOT-UHFFFAOYSA-N 1 0 308.472 3.425 10 0 DGAERO CSCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000126023884 400488793 /nfs/dbraw/zinc/48/87/93/400488793.db2.gz CYAXWUMQBYFKQD-KRWDZBQOSA-N 1 0 320.502 3.158 10 0 DGAERO COC(=O)c1csc(C[NH2+][C@@H](C)COCc2ccccc2)c1 ZINC000602558497 400496293 /nfs/dbraw/zinc/49/62/93/400496293.db2.gz BTVBSFNJIVDTQX-ZDUSSCGKSA-N 1 0 319.426 3.230 10 0 DGAERO CN(CC1CC1)C(=O)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591378875 400516683 /nfs/dbraw/zinc/51/66/83/400516683.db2.gz CFVUMTNQIISMOA-UHFFFAOYSA-N 1 0 322.399 3.013 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1nccc2ccccc21)c1ccccc1 ZINC000132322374 400558189 /nfs/dbraw/zinc/55/81/89/400558189.db2.gz COZFEWAALNQGCZ-SFHVURJKSA-N 1 0 319.408 3.268 10 0 DGAERO c1ccc(CCC[NH+](C[C@H]2CCCO2)C[C@H]2CCCO2)cc1 ZINC000047613478 400624039 /nfs/dbraw/zinc/62/40/39/400624039.db2.gz LJWNNIVAUZDIIZ-RTBURBONSA-N 1 0 303.446 3.279 10 0 DGAERO C[NH+]1CCC([C@H](O)c2ncccc2CCc2ccccc2)CC1 ZINC000143763654 400637895 /nfs/dbraw/zinc/63/78/95/400637895.db2.gz FLRYTDWPOBHMTR-FQEVSTJZSA-N 1 0 310.441 3.242 10 0 DGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCSC)C1 ZINC000134903596 400582384 /nfs/dbraw/zinc/58/23/84/400582384.db2.gz XTYJOTNOTDBTAD-CQSZACIVSA-N 1 0 300.512 3.146 10 0 DGAERO COC(=O)c1ccc(CN2CCCC[C@H]2c2cn[nH]c2)c(F)c1 ZINC000136392749 400591298 /nfs/dbraw/zinc/59/12/98/400591298.db2.gz VGGQBWIEPGSADJ-INIZCTEOSA-N 1 0 317.364 3.063 10 0 DGAERO Cc1ccc(C[C@@H](C)N(C)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000159099532 400727613 /nfs/dbraw/zinc/72/76/13/400727613.db2.gz FWWMTSVYZXOGMG-HZPDHXFCSA-N 1 0 317.477 3.050 10 0 DGAERO OC1(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCOCC1 ZINC000162582250 400745655 /nfs/dbraw/zinc/74/56/55/400745655.db2.gz BKLUUCCCHBVQIB-ZDUSSCGKSA-N 1 0 313.850 3.008 10 0 DGAERO Cc1csc(=O)n1CC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000156863249 400713450 /nfs/dbraw/zinc/71/34/50/400713450.db2.gz XJADEQOFJYDVHH-AWEZNQCLSA-N 1 0 304.459 3.090 10 0 DGAERO CC[NH+](CC)[C@@H](C(=O)Nc1ccc2nccn2c1)c1ccccc1 ZINC000603808612 400717272 /nfs/dbraw/zinc/71/72/72/400717272.db2.gz FWNRKTLHCRJODN-GOSISDBHSA-N 1 0 322.412 3.356 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC000157378673 400717639 /nfs/dbraw/zinc/71/76/39/400717639.db2.gz WLQBZNQIXHQQDY-WMZOPIPTSA-N 1 0 317.477 3.052 10 0 DGAERO C[C@H]1C[N@H+](C[C@H](O)COc2ccc3ccccc3c2)CCS1 ZINC000171695942 400804142 /nfs/dbraw/zinc/80/41/42/400804142.db2.gz LKDSEHKRPSHCEY-YOEHRIQHSA-N 1 0 317.454 3.017 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054305546 400817736 /nfs/dbraw/zinc/81/77/36/400817736.db2.gz CQBZTOHBSRNFNQ-LLVKDONJSA-N 1 0 311.223 3.086 10 0 DGAERO Brc1ccc2c(c1)CCCN2CC[NH+]1CCCC1 ZINC000167735571 400756919 /nfs/dbraw/zinc/75/69/19/400756919.db2.gz KWONFJZTUPRIGY-UHFFFAOYSA-N 1 0 309.251 3.298 10 0 DGAERO CC(C)[C@H]([NH3+])c1nc2sccc2c(=O)n1Cc1ccccc1 ZINC000168627370 400758354 /nfs/dbraw/zinc/75/83/54/400758354.db2.gz FFRFKIPUVPQMGE-AWEZNQCLSA-N 1 0 313.426 3.162 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000170807399 400775540 /nfs/dbraw/zinc/77/55/40/400775540.db2.gz FLURRVYCCCYZPH-YJBOKZPZSA-N 1 0 315.461 3.270 10 0 DGAERO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170865343 400777583 /nfs/dbraw/zinc/77/75/83/400777583.db2.gz LVIFJGYVGUXDLF-JKSUJKDBSA-N 1 0 318.461 3.048 10 0 DGAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000079511218 400872139 /nfs/dbraw/zinc/87/21/39/400872139.db2.gz WASOYFYYSSABLG-XPTSAGLGSA-N 1 0 301.217 3.313 10 0 DGAERO CCOc1cccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000054820313 400839883 /nfs/dbraw/zinc/83/98/83/400839883.db2.gz UVLPZTAIVHZGHZ-SFHVURJKSA-N 1 0 312.413 3.118 10 0 DGAERO C(c1noc2c1CCCC2)[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000173842964 400849792 /nfs/dbraw/zinc/84/97/92/400849792.db2.gz BOZLXXKEGANVJQ-HNNXBMFYSA-N 1 0 304.434 3.477 10 0 DGAERO c1ccc(-c2noc(N3CCCC[C@@H]([NH+]4CCCC4)C3)n2)cc1 ZINC000594005935 400944194 /nfs/dbraw/zinc/94/41/94/400944194.db2.gz UXJOWMGZNXOODB-MRXNPFEDSA-N 1 0 312.417 3.191 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606700064 400949865 /nfs/dbraw/zinc/94/98/65/400949865.db2.gz BKYCHNPMISZMCA-MRXNPFEDSA-N 1 0 317.477 3.337 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000606713868 400953397 /nfs/dbraw/zinc/95/33/97/400953397.db2.gz VSAKOYVZIPKZJH-INIZCTEOSA-N 1 0 317.477 3.082 10 0 DGAERO Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000056347451 400922038 /nfs/dbraw/zinc/92/20/38/400922038.db2.gz PXDPJKAYYRSQMX-GOSISDBHSA-N 1 0 311.429 3.289 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000606500711 400923344 /nfs/dbraw/zinc/92/33/44/400923344.db2.gz CQDMYOFXFHNDJB-HZPDHXFCSA-N 1 0 305.466 3.128 10 0 DGAERO CCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620190577 401007668 /nfs/dbraw/zinc/00/76/68/401007668.db2.gz NQJXYGKOKSQFJU-KRWDZBQOSA-N 1 0 300.446 3.205 10 0 DGAERO CC(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620191584 401008227 /nfs/dbraw/zinc/00/82/27/401008227.db2.gz DINZRZJILOTGCD-QGZVFWFLSA-N 1 0 300.446 3.061 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000245398655 401008752 /nfs/dbraw/zinc/00/87/52/401008752.db2.gz UBPRTUGFVGMCOX-AVGNSLFASA-N 1 0 323.403 3.137 10 0 DGAERO Cc1cc(N2CCC[C@@H](NC(=O)C(C)C)C2)c2ccccc2[nH+]1 ZINC000080975478 401010786 /nfs/dbraw/zinc/01/07/86/401010786.db2.gz QSHGTJJKNUGVRG-OAHLLOKOSA-N 1 0 311.429 3.284 10 0 DGAERO c1ccc2c(c1)C=C(CNc1ccc([C@H]3C[NH2+]CCO3)cc1)CO2 ZINC000629649834 401015994 /nfs/dbraw/zinc/01/59/94/401015994.db2.gz HVZLRWQWZMLLJS-HXUWFJFHSA-N 1 0 322.408 3.235 10 0 DGAERO C[NH+]1CCC(CCNc2ncc(Br)cc2F)CC1 ZINC000234327360 400973600 /nfs/dbraw/zinc/97/36/00/400973600.db2.gz ZKQXNEZHBFXUIM-UHFFFAOYSA-N 1 0 316.218 3.127 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000247393955 401053168 /nfs/dbraw/zinc/05/31/68/401053168.db2.gz MDKYFKLWIIQJAP-WFASDCNBSA-N 1 0 318.392 3.374 10 0 DGAERO COC(=O)c1cccc(C[N@H+](C)CCOc2ccc(C)cc2)c1 ZINC000248019467 401064885 /nfs/dbraw/zinc/06/48/85/401064885.db2.gz LXBUIYGLEZBYTI-UHFFFAOYSA-N 1 0 313.397 3.292 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)C[C@H](C)O1 ZINC000248938291 401080083 /nfs/dbraw/zinc/08/00/83/401080083.db2.gz NOHGENIXMXHFIQ-MIFYACCESA-N 1 0 322.880 3.244 10 0 DGAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000248997149 401080666 /nfs/dbraw/zinc/08/06/66/401080666.db2.gz PJLJJDJYFDMVHF-DJIMGWMZSA-N 1 0 302.462 3.100 10 0 DGAERO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000246707480 401034183 /nfs/dbraw/zinc/03/41/83/401034183.db2.gz GQNFRPILCGBAHT-CZUORRHYSA-N 1 0 313.869 3.379 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000262460830 401117400 /nfs/dbraw/zinc/11/74/00/401117400.db2.gz JTRZTKMORDLBHV-DDBAPUKQSA-N 1 0 300.446 3.135 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000262762035 401120403 /nfs/dbraw/zinc/12/04/03/401120403.db2.gz QUKSOFMRRKTCFV-BXUZGUMPSA-N 1 0 321.490 3.451 10 0 DGAERO C[C@@H](O)CN(Cc1ccc(Br)c(F)c1F)C1CC1 ZINC000625519468 401148017 /nfs/dbraw/zinc/14/80/17/401148017.db2.gz OFYPQAHWFUOXSC-MRVPVSSYSA-N 1 0 320.177 3.073 10 0 DGAERO CC[C@@H]([NH2+]CCN1CC=C(C)CC1)c1ccc2c(c1)OCCO2 ZINC000358260738 286014154 /nfs/dbraw/zinc/01/41/54/286014154.db2.gz VXKKRRVAIQXAOP-QGZVFWFLSA-N 1 0 316.445 3.151 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)NCC2(C)CC2)[C@@H]1c1cccs1 ZINC000358263545 286014686 /nfs/dbraw/zinc/01/46/86/286014686.db2.gz HIMVTJDADMAHNT-UKRRQHHQSA-N 1 0 321.490 3.230 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000594748322 401168475 /nfs/dbraw/zinc/16/84/75/401168475.db2.gz JIQJOSFOSWWHHX-HNNXBMFYSA-N 1 0 313.445 3.121 10 0 DGAERO c1[nH]nc2c1C[C@@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)CC2 ZINC000358308835 286027216 /nfs/dbraw/zinc/02/72/16/286027216.db2.gz ZOTSZCQQLZHBIM-LJHODMEESA-N 1 0 311.429 3.025 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1cncc(F)c1 ZINC000358293245 286022578 /nfs/dbraw/zinc/02/25/78/286022578.db2.gz XWCOHIFXAQWXIE-SWLSCSKDSA-N 1 0 302.349 3.101 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000358295513 286023231 /nfs/dbraw/zinc/02/32/31/286023231.db2.gz JTULDJLXDQFMDZ-DGCLKSJQSA-N 1 0 317.401 3.319 10 0 DGAERO FC1(F)CCC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000358314119 286029012 /nfs/dbraw/zinc/02/90/12/286029012.db2.gz FDNCURYSGVFYLG-OAHLLOKOSA-N 1 0 309.404 3.214 10 0 DGAERO c1cnnc(Oc2ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000621388634 401195361 /nfs/dbraw/zinc/19/53/61/401195361.db2.gz DFXVVWAFZUJVNL-HOTGVXAUSA-N 1 0 310.401 3.308 10 0 DGAERO Brc1cncc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000625775170 401212084 /nfs/dbraw/zinc/21/20/84/401212084.db2.gz NAVWPXZGSISMMC-OLZOCXBDSA-N 1 0 313.264 3.314 10 0 DGAERO CC(C)n1cc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)cn1 ZINC000608069328 401180490 /nfs/dbraw/zinc/18/04/90/401180490.db2.gz BQDXLJDLDINTDC-GOSISDBHSA-N 1 0 323.444 3.271 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)co1 ZINC000065286843 401263447 /nfs/dbraw/zinc/26/34/47/401263447.db2.gz VQMNKNAMIPNNNM-MRXNPFEDSA-N 1 0 308.385 3.444 10 0 DGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000625830803 401228648 /nfs/dbraw/zinc/22/86/48/401228648.db2.gz VSDLZOIGIWJFRR-NWDGAFQWSA-N 1 0 302.205 3.255 10 0 DGAERO C[C@H]1CC[C@@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC000625830602 401228894 /nfs/dbraw/zinc/22/88/94/401228894.db2.gz NFZZOIMQXUHFEY-GZMMTYOYSA-N 1 0 302.205 3.255 10 0 DGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000608359053 401232855 /nfs/dbraw/zinc/23/28/55/401232855.db2.gz GRZIEQFMXSLSLM-YCPHGPKFSA-N 1 0 322.399 3.057 10 0 DGAERO c1cc(OC[C@@H]2CCCO2)ccc1C[NH+]1CC(CC2CC2)C1 ZINC000621740472 401291416 /nfs/dbraw/zinc/29/14/16/401291416.db2.gz RPDYVUOHBVZYRV-IBGZPJMESA-N 1 0 301.430 3.476 10 0 DGAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH+]1CC(CC2CC2)C1 ZINC000621740606 401291882 /nfs/dbraw/zinc/29/18/82/401291882.db2.gz ZAVMJXFTJIGCTO-UHFFFAOYSA-N 1 0 311.385 3.037 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2)[C@H](C)O)c2ccccc21 ZINC000621764665 401297787 /nfs/dbraw/zinc/29/77/87/401297787.db2.gz KPKAFXPDUPOVQL-DCPHZVHLSA-N 1 0 324.424 3.196 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)c2ccccc2C1 ZINC000621768820 401298444 /nfs/dbraw/zinc/29/84/44/401298444.db2.gz VMYMYVZSPDJPIO-HOCLYGCPSA-N 1 0 308.372 3.115 10 0 DGAERO c1cc(C[NH2+]CCc2noc3ccccc32)n(CC2CCC2)n1 ZINC000631170849 401414922 /nfs/dbraw/zinc/41/49/22/401414922.db2.gz FGXBGPCCWBPKDB-UHFFFAOYSA-N 1 0 310.401 3.157 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1cccc(Cl)c1 ZINC000634952895 401387183 /nfs/dbraw/zinc/38/71/83/401387183.db2.gz LQLSHVVRHSYFDI-LSDHHAIUSA-N 1 0 315.866 3.348 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)n(CC2CCC2)n1 ZINC000631091586 401391009 /nfs/dbraw/zinc/39/10/09/401391009.db2.gz OAELTAQJYQIRRT-MRXNPFEDSA-N 1 0 303.450 3.265 10 0 DGAERO c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n(CC2CCC2)n1 ZINC000631106269 401395453 /nfs/dbraw/zinc/39/54/53/401395453.db2.gz MXWYHDDPOVTAKA-KURKYZTESA-N 1 0 315.461 3.121 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1nccs1 ZINC000631221901 401430025 /nfs/dbraw/zinc/43/00/25/401430025.db2.gz MLFDTELISBIHFJ-XBFCOCLRSA-N 1 0 321.243 3.334 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]Cc1cccc2c1CCOC2 ZINC000631244265 401435587 /nfs/dbraw/zinc/43/55/87/401435587.db2.gz PRSWDVKLXMSBLO-UHFFFAOYSA-N 1 0 319.408 3.439 10 0 DGAERO c1cc(-c2ccc(C[NH2+]CC3([C@@H]4CCCCO4)CCC3)o2)n[nH]1 ZINC000631245469 401436333 /nfs/dbraw/zinc/43/63/33/401436333.db2.gz MKCPYFOVZQFKTM-KRWDZBQOSA-N 1 0 315.417 3.499 10 0 DGAERO c1c(C[NH2+][C@@H]2C[C@@H](Sc3ccccc3)C2)nnn1C1CCC1 ZINC000631252376 401437500 /nfs/dbraw/zinc/43/75/00/401437500.db2.gz ULXFEZZWNQYVMH-WJYNOGRTSA-N 1 0 314.458 3.416 10 0 DGAERO c1cn(-c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)cc2)cn1 ZINC000631253968 401438622 /nfs/dbraw/zinc/43/86/22/401438622.db2.gz MPVCSUGZZOKSHC-RTBURBONSA-N 1 0 311.429 3.310 10 0 DGAERO c1cnc2c(c1)[C@@H]([NH2+][C@H]1CCOC3(CCSCC3)C1)CCC2 ZINC000631602107 401511380 /nfs/dbraw/zinc/51/13/80/401511380.db2.gz XGVXZRMZFNLVPX-YOEHRIQHSA-N 1 0 318.486 3.493 10 0 DGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623418071 401512257 /nfs/dbraw/zinc/51/22/57/401512257.db2.gz AYOZWSZHFZQOHO-MNOVXSKESA-N 1 0 320.177 3.120 10 0 DGAERO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CC12CCSCC2 ZINC000631640162 401521586 /nfs/dbraw/zinc/52/15/86/401521586.db2.gz XCEPSCCDDJOEMZ-QXSJWSMHSA-N 1 0 307.503 3.457 10 0 DGAERO c1ccc2c(c1)O[C@@H](C[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)CS2 ZINC000631640547 401521641 /nfs/dbraw/zinc/52/16/41/401521641.db2.gz JAWWGMIDPFBCQN-CLROSIBMSA-N 1 0 317.454 3.087 10 0 DGAERO c1cn2c(n1)[C@@H](N[C@@H]1CCCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000631679016 401532573 /nfs/dbraw/zinc/53/25/73/401532573.db2.gz HQPKAOZUFRAOKU-MOPGFXCFSA-N 1 0 324.472 3.362 10 0 DGAERO c1csc(-c2nc(CN3CCC[C@H]4C[NH2+]CC[C@H]43)cs2)c1 ZINC000631889264 401564675 /nfs/dbraw/zinc/56/46/75/401564675.db2.gz GVCUCADVFHSCHO-GXTWGEPZSA-N 1 0 319.499 3.446 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000623753259 401575818 /nfs/dbraw/zinc/57/58/18/401575818.db2.gz UZYOJFUMXZVNNM-ICSRJNTNSA-N 1 0 324.424 3.318 10 0 DGAERO c1nc(C2CC2)oc1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000628321601 401576760 /nfs/dbraw/zinc/57/67/60/401576760.db2.gz QPVYALOXURJKCV-CYBMUJFWSA-N 1 0 302.399 3.195 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000623823686 401583387 /nfs/dbraw/zinc/58/33/87/401583387.db2.gz FXQNZZHPBVVNLW-AOOOYVTPSA-N 1 0 302.187 3.103 10 0 DGAERO c1nc2c(s1)CCC[C@@H]2[NH2+]C1CCN(c2ccccn2)CC1 ZINC000623863267 401590006 /nfs/dbraw/zinc/59/00/06/401590006.db2.gz NSRCMDXNZDDUNP-AWEZNQCLSA-N 1 0 314.458 3.174 10 0 DGAERO c1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c2c(c1)COCC2 ZINC000631732919 401546309 /nfs/dbraw/zinc/54/63/09/401546309.db2.gz SJDVEZIAXLIRMP-FHWLQOOXSA-N 1 0 313.441 3.197 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623602540 401554194 /nfs/dbraw/zinc/55/41/94/401554194.db2.gz VALXSSYXPWLOHL-IBGZPJMESA-N 1 0 319.408 3.308 10 0 DGAERO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632855752 401632517 /nfs/dbraw/zinc/63/25/17/401632517.db2.gz UGDNHYCUUPZKPR-IINYFYTJSA-N 1 0 313.228 3.208 10 0 DGAERO Brc1ccccc1CC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC000628477923 401603857 /nfs/dbraw/zinc/60/38/57/401603857.db2.gz MBTCCRUMNXMLTD-CYBMUJFWSA-N 1 0 324.262 3.350 10 0 DGAERO c1nc2c(s1)CCC[C@H]2[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000624005753 401611683 /nfs/dbraw/zinc/61/16/83/401611683.db2.gz BDMJZVWKMQVNRL-RBSFLKMASA-N 1 0 315.442 3.425 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000628545191 401614430 /nfs/dbraw/zinc/61/44/30/401614430.db2.gz CINOEFHJBCGSNV-QAPCUYQASA-N 1 0 322.493 3.295 10 0 DGAERO C([NH2+]C1CCN(C[C@H]2CCCO2)CC1)C(C1CCC1)C1CCC1 ZINC000624038295 401616670 /nfs/dbraw/zinc/61/66/70/401616670.db2.gz ANGKLSMQROCSRX-LJQANCHMSA-N 1 0 320.521 3.436 10 0 DGAERO Cc1nc([C@H]2CCCN2Cc2ccc(F)c3cccnc23)no1 ZINC000624312868 401649475 /nfs/dbraw/zinc/64/94/75/401649475.db2.gz QNZMFDWSCXNDLX-OAHLLOKOSA-N 1 0 312.348 3.402 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000358559195 286093336 /nfs/dbraw/zinc/09/33/36/286093336.db2.gz PAWAEEAFKSXAIB-INIZCTEOSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1ccc([C@@H]2CCCCN2C(=O)NC[C@H](C)[N@H+](C)C2CC2)o1 ZINC000174734038 292208848 /nfs/dbraw/zinc/20/88/48/292208848.db2.gz VITRMMDJHKDVAV-BBRMVZONSA-N 1 0 319.449 3.307 10 0 DGAERO C[NH+]1CCC(CC(=O)NC[C@H]2CCCCC(F)(F)C2)CC1 ZINC000358794400 286155744 /nfs/dbraw/zinc/15/57/44/286155744.db2.gz HGTIWVXLHXYBFI-AWEZNQCLSA-N 1 0 302.409 3.050 10 0 DGAERO COc1ccc(-n2ccnc2SC[C@@H](C)[NH+](C)C)c(C)c1 ZINC000358842642 286167041 /nfs/dbraw/zinc/16/70/41/286167041.db2.gz QZWFHJFADZQAOP-CYBMUJFWSA-N 1 0 305.447 3.232 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]Cc1cccnc1 ZINC000358923578 286188386 /nfs/dbraw/zinc/18/83/86/286188386.db2.gz CPZWZPYVZDMQLH-SFHVURJKSA-N 1 0 304.397 3.435 10 0 DGAERO c1nc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)co1 ZINC000192295596 296643755 /nfs/dbraw/zinc/64/37/55/296643755.db2.gz FYNMEGYHCZEQHX-UHFFFAOYSA-N 1 0 314.385 3.395 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000359025298 286218324 /nfs/dbraw/zinc/21/83/24/286218324.db2.gz GSKQBMZPJRUVSG-JSGCOSHPSA-N 1 0 306.475 3.146 10 0 DGAERO O=C1[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1c1ccccc1 ZINC000359044806 286222812 /nfs/dbraw/zinc/22/28/12/286222812.db2.gz GXWMTQLHQOUYRM-LJQANCHMSA-N 1 0 306.409 3.459 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](CN(C)C)c2ccccc2)C12CCC2 ZINC000246866315 286292506 /nfs/dbraw/zinc/29/25/06/286292506.db2.gz KVAFJYMIBGSYEJ-KZNAEPCWSA-N 1 0 302.462 3.227 10 0 DGAERO CO[C@@]1(C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)CCOC1 ZINC000359400479 286300146 /nfs/dbraw/zinc/30/01/46/286300146.db2.gz RAQXYVZUBGERDV-QMTHXVAHSA-N 1 0 304.217 3.450 10 0 DGAERO CC[C@](C)(OC)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000359556674 286335287 /nfs/dbraw/zinc/33/52/87/286335287.db2.gz FLHLEZIEHQLMKU-UNEWFSDZSA-N 1 0 324.490 3.062 10 0 DGAERO CC(=O)N1CCC([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000359634330 286351157 /nfs/dbraw/zinc/35/11/57/286351157.db2.gz NHMGVTMYCLUUDE-MRXNPFEDSA-N 1 0 322.836 3.154 10 0 DGAERO COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180486004 286356653 /nfs/dbraw/zinc/35/66/53/286356653.db2.gz RCXSNPOPUVZTEO-RTBURBONSA-N 1 0 320.477 3.093 10 0 DGAERO C[NH+](C)[C@@]1(CNC(=O)CC/C=C\c2ccccc2)CCSC1 ZINC000359678489 286359471 /nfs/dbraw/zinc/35/94/71/286359471.db2.gz PLQOZKFNRNTGDX-OEPRFQHASA-N 1 0 318.486 3.034 10 0 DGAERO COCc1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)cc1 ZINC000360273682 286453046 /nfs/dbraw/zinc/45/30/46/286453046.db2.gz IQWCUSUDWGTCEX-KRWDZBQOSA-N 1 0 313.397 3.153 10 0 DGAERO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000360983956 286569170 /nfs/dbraw/zinc/56/91/70/286569170.db2.gz OXNIEWQCSJLWKB-UHFFFAOYSA-N 1 0 323.444 3.307 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)N(C3CC3)C1)CCCO2 ZINC000246898307 292369160 /nfs/dbraw/zinc/36/91/60/292369160.db2.gz FCNSGVYVXAWLLI-RVKKMQEKSA-N 1 0 300.446 3.424 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000361973074 286753322 /nfs/dbraw/zinc/75/33/22/286753322.db2.gz VJBCINGIFFNIOD-NOZJJQNGSA-N 1 0 301.217 3.265 10 0 DGAERO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000172234259 286952179 /nfs/dbraw/zinc/95/21/79/286952179.db2.gz CCSCQMFBJJCIGI-WBVHZDCISA-N 1 0 307.482 3.225 10 0 DGAERO OC1(c2ccccc2)CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000363763508 286955526 /nfs/dbraw/zinc/95/55/26/286955526.db2.gz GWSRJHLIHZTSKT-UHFFFAOYSA-N 1 0 323.396 3.153 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1nc3ccccc3[nH]1)CC2 ZINC000364387331 287021057 /nfs/dbraw/zinc/02/10/57/287021057.db2.gz PPRABLVWLHADKR-NSHDSACASA-N 1 0 323.400 3.153 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CCO1 ZINC000364437472 287026389 /nfs/dbraw/zinc/02/63/89/287026389.db2.gz ARCHHHQLDIAZFH-NZSAHSFTSA-N 1 0 302.462 3.198 10 0 DGAERO CCOCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000364438817 287026597 /nfs/dbraw/zinc/02/65/97/287026597.db2.gz BVWJGPCPHATPLR-HKUYNNGSSA-N 1 0 304.478 3.303 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000364850337 287067567 /nfs/dbraw/zinc/06/75/67/287067567.db2.gz UWBUFMFDBNQLQH-YLJYHZDGSA-N 1 0 324.472 3.490 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1C ZINC000166527743 164601802 /nfs/dbraw/zinc/60/18/02/164601802.db2.gz XQSOZBIRYBJOQV-SJLPKXTDSA-N 1 0 312.461 3.357 10 0 DGAERO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000172114706 164650626 /nfs/dbraw/zinc/65/06/26/164650626.db2.gz XBIWEZVAMHCMOE-MRXNPFEDSA-N 1 0 319.449 3.247 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000174519721 164732077 /nfs/dbraw/zinc/73/20/77/164732077.db2.gz VZDSVUAXPBIZTC-QIPHDZALSA-N 1 0 310.445 3.082 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176207159 164775692 /nfs/dbraw/zinc/77/56/92/164775692.db2.gz ZSHDKIHAJWICNF-KBPBESRZSA-N 1 0 324.494 3.110 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000177712892 164813698 /nfs/dbraw/zinc/81/36/98/164813698.db2.gz PRVQZLPRLOWXRC-DLBZAZTESA-N 1 0 317.477 3.047 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1-n1cncn1 ZINC000178058484 164823721 /nfs/dbraw/zinc/82/37/21/164823721.db2.gz QBBVCEXQLCLRQN-DJIMGWMZSA-N 1 0 313.449 3.213 10 0 DGAERO CCc1ccc(-c2ccc(C(=O)N3CCC([NH2+]C)CC3)o2)cc1 ZINC000179140405 164852700 /nfs/dbraw/zinc/85/27/00/164852700.db2.gz SESMDHUTHBNYIH-UHFFFAOYSA-N 1 0 312.413 3.333 10 0 DGAERO C[C@H](C[NH3+])N(C)C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000179196975 164854340 /nfs/dbraw/zinc/85/43/40/164854340.db2.gz GWLNHKIOMXMLOH-QGZVFWFLSA-N 1 0 324.468 3.284 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1cccc(CO)c1 ZINC000180014956 164872598 /nfs/dbraw/zinc/87/25/98/164872598.db2.gz OYYCPXDDWSXILD-YJBOKZPZSA-N 1 0 310.441 3.453 10 0 DGAERO COCCc1nc(C)c([C@@H](C)[NH2+]CCCc2ccccn2)s1 ZINC000181498641 164916214 /nfs/dbraw/zinc/91/62/14/164916214.db2.gz UVTZFKAQKFGLEF-CYBMUJFWSA-N 1 0 319.474 3.319 10 0 DGAERO CCOC(=O)CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183688417 164957742 /nfs/dbraw/zinc/95/77/42/164957742.db2.gz WMQFSXBTAZQAGL-AWEZNQCLSA-N 1 0 315.417 3.175 10 0 DGAERO Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@@H](CO)CC(C)C)cc2)n1 ZINC000185335529 165000761 /nfs/dbraw/zinc/00/07/61/165000761.db2.gz VGSWBWXAERVIJK-LJQANCHMSA-N 1 0 315.461 3.328 10 0 DGAERO CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@@H](CO)CC(C)C ZINC000185372555 165002983 /nfs/dbraw/zinc/00/29/83/165002983.db2.gz TXOGKHLBIRPKCR-CQSZACIVSA-N 1 0 307.413 3.034 10 0 DGAERO CCC[C@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1cccnc1 ZINC000185996409 165024473 /nfs/dbraw/zinc/02/44/73/165024473.db2.gz OPSCSORJYBVHFH-CVEARBPZSA-N 1 0 313.449 3.242 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1Cl)CS(C)(=O)=O ZINC000186180142 165030457 /nfs/dbraw/zinc/03/04/57/165030457.db2.gz BFCYCJLVTVTVRE-NXEZZACHSA-N 1 0 324.273 3.325 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000186207513 165033561 /nfs/dbraw/zinc/03/35/61/165033561.db2.gz OHFOUNQKFRWWHV-RYUDHWBXSA-N 1 0 320.462 3.137 10 0 DGAERO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186236992 165033640 /nfs/dbraw/zinc/03/36/40/165033640.db2.gz NHGDXJLRNVRTQA-MRXNPFEDSA-N 1 0 312.457 3.325 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCCCCCSC)C12CCOCC2 ZINC000186501411 165046592 /nfs/dbraw/zinc/04/65/92/165046592.db2.gz LCPLQGCKLMKCOB-JKSUJKDBSA-N 1 0 315.523 3.474 10 0 DGAERO O=C(c1csc2ccccc12)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186499528 165046862 /nfs/dbraw/zinc/04/68/62/165046862.db2.gz VZOAJXMSSPTBFO-GFCCVEGCSA-N 1 0 300.427 3.258 10 0 DGAERO CN(CC[N@H+](C)C1CC1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000186788583 165060067 /nfs/dbraw/zinc/06/00/67/165060067.db2.gz UMIVCCMRZUJDDY-UHFFFAOYSA-N 1 0 303.381 3.007 10 0 DGAERO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000187201709 165081443 /nfs/dbraw/zinc/08/14/43/165081443.db2.gz HOAHRJXWCCQAFP-KBXCAEBGSA-N 1 0 302.418 3.414 10 0 DGAERO Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C)n1 ZINC000187249780 165083529 /nfs/dbraw/zinc/08/35/29/165083529.db2.gz KUWYBJISIFRFFN-QAPCUYQASA-N 1 0 311.429 3.120 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCc3ncnn3C1)CCS2 ZINC000187328353 165085412 /nfs/dbraw/zinc/08/54/12/165085412.db2.gz DQBMANCMTXJGET-HIFRSBDPSA-N 1 0 314.458 3.036 10 0 DGAERO CC(C)[C@](C)(O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000187393912 165089203 /nfs/dbraw/zinc/08/92/03/165089203.db2.gz RVIRQQGCGAKEDA-GOSISDBHSA-N 1 0 309.425 3.214 10 0 DGAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c(C)n1 ZINC000187445512 165090495 /nfs/dbraw/zinc/09/04/95/165090495.db2.gz BIZFMSZUCBPXTO-AWEZNQCLSA-N 1 0 307.401 3.130 10 0 DGAERO CC(C)CCOc1ccc(CN2CCO[C@@]3(CCOC3)C2)cc1 ZINC000187531663 165093947 /nfs/dbraw/zinc/09/39/47/165093947.db2.gz ORIMASMDVYLMPY-IBGZPJMESA-N 1 0 319.445 3.103 10 0 DGAERO Cc1nccnc1[C@H](C)NC1CC[NH+](CC2CCCC2)CC1 ZINC000187893489 165104331 /nfs/dbraw/zinc/10/43/31/165104331.db2.gz DOZMPWXQPFTXLW-HNNXBMFYSA-N 1 0 302.466 3.090 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(F)c1 ZINC000188073046 165111063 /nfs/dbraw/zinc/11/10/63/165111063.db2.gz JLDXUCYSYPFPAZ-SJLPKXTDSA-N 1 0 316.424 3.269 10 0 DGAERO COc1c(CN2CCc3c(cccc3C(C)C)C2)c(C)nn1C ZINC000188128732 165114665 /nfs/dbraw/zinc/11/46/65/165114665.db2.gz WSDSVJDBNYSVDK-UHFFFAOYSA-N 1 0 313.445 3.419 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)Cc1ccccc1F)CC2 ZINC000188184573 165115075 /nfs/dbraw/zinc/11/50/75/165115075.db2.gz CEGJIVUGJFHUFV-UKRRQHHQSA-N 1 0 316.424 3.076 10 0 DGAERO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188191874 165116849 /nfs/dbraw/zinc/11/68/49/165116849.db2.gz PAVHPVOSECWNTR-BLLLJJGKSA-N 1 0 300.333 3.117 10 0 DGAERO O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000188666904 165132099 /nfs/dbraw/zinc/13/20/99/165132099.db2.gz KNMWNDPQDYUCHD-VQTJNVASSA-N 1 0 320.436 3.250 10 0 DGAERO O=C(CCc1ccc2ccccc2c1)N1CC[NH+]2CCC1CC2 ZINC000188664395 165132325 /nfs/dbraw/zinc/13/23/25/165132325.db2.gz NPYHOHZKFSTPQY-UHFFFAOYSA-N 1 0 308.425 3.079 10 0 DGAERO O=C(/C=C/c1ccccc1Cl)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188691566 165132345 /nfs/dbraw/zinc/13/23/45/165132345.db2.gz LSJXDUPKZJNBMG-BQYQJAHWSA-N 1 0 312.800 3.273 10 0 DGAERO CCC(CC)c1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)on1 ZINC000188755418 165136644 /nfs/dbraw/zinc/13/66/44/165136644.db2.gz CAARQZZHOWZSRK-UHFFFAOYSA-N 1 0 313.401 3.111 10 0 DGAERO CCCCCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188964133 165143200 /nfs/dbraw/zinc/14/32/00/165143200.db2.gz CWKIQHWHODLAGR-BBRMVZONSA-N 1 0 310.388 3.107 10 0 DGAERO O=C1[C@@H]([NH2+][C@@H]2CCc3ccccc32)CCN1Cc1ccc(F)cc1 ZINC000189046169 165146435 /nfs/dbraw/zinc/14/64/35/165146435.db2.gz KFJGDPXAJZRVRP-MOPGFXCFSA-N 1 0 324.399 3.204 10 0 DGAERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189058507 165148666 /nfs/dbraw/zinc/14/86/66/165148666.db2.gz IBWXNKVLQNJSTN-WMLDXEAASA-N 1 0 306.425 3.341 10 0 DGAERO CN1CC[C@@H]([NH2+]Cc2ccc(F)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000189170281 165152020 /nfs/dbraw/zinc/15/20/20/165152020.db2.gz OUJWCRXPZDJLTN-WBVHZDCISA-N 1 0 319.811 3.409 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H](O)CC(F)(F)F)C2)cc1 ZINC000189362763 165157470 /nfs/dbraw/zinc/15/74/70/165157470.db2.gz OWWREHODHYEVNG-IACUBPJLSA-N 1 0 317.351 3.186 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC000189538336 165164977 /nfs/dbraw/zinc/16/49/77/165164977.db2.gz CBJTXISSSNSLIU-KSSFIOAISA-N 1 0 315.461 3.092 10 0 DGAERO CC[C@]1(CO)CCC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000189665480 165173093 /nfs/dbraw/zinc/17/30/93/165173093.db2.gz DRGVUZVTHHOWAU-QGZVFWFLSA-N 1 0 304.365 3.218 10 0 DGAERO CCC1=C(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCCO1 ZINC000189821455 165178109 /nfs/dbraw/zinc/17/81/09/165178109.db2.gz NAZVOCNJOLWFOF-FUHWJXTLSA-N 1 0 314.429 3.023 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000190163028 165191181 /nfs/dbraw/zinc/19/11/81/165191181.db2.gz QMZOHGHXZJRMBD-CQSZACIVSA-N 1 0 323.506 3.110 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1oc(CC(C)C)nc1C ZINC000190425150 165202951 /nfs/dbraw/zinc/20/29/51/165202951.db2.gz YLUWXWOUTMFDNN-OAHLLOKOSA-N 1 0 321.465 3.176 10 0 DGAERO CCc1nnc(C2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)[nH]1 ZINC000190706471 165213516 /nfs/dbraw/zinc/21/35/16/165213516.db2.gz GVTHXLOBSOGSHE-MRXNPFEDSA-N 1 0 314.408 3.373 10 0 DGAERO CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000191060853 165229192 /nfs/dbraw/zinc/22/91/92/165229192.db2.gz KUNCHQVPKIYJDX-CQSZACIVSA-N 1 0 315.454 3.390 10 0 DGAERO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000191061940 165229360 /nfs/dbraw/zinc/22/93/60/165229360.db2.gz RCFXDWDAQNKCIE-SJLPKXTDSA-N 1 0 317.477 3.047 10 0 DGAERO CCc1cnc(CC[NH2+]Cc2ccc(Br)o2)s1 ZINC000191229487 165237339 /nfs/dbraw/zinc/23/73/39/165237339.db2.gz OYMNFMHMESNHRP-UHFFFAOYSA-N 1 0 315.236 3.393 10 0 DGAERO CCc1cnc(CC[NH2+]Cc2nccn2-c2ccccc2)s1 ZINC000191229399 165237651 /nfs/dbraw/zinc/23/76/51/165237651.db2.gz MLJHLTWHCFNTAQ-UHFFFAOYSA-N 1 0 312.442 3.224 10 0 DGAERO C[C@@H](C[NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc(F)cc1F ZINC000191241817 165238071 /nfs/dbraw/zinc/23/80/71/165238071.db2.gz PQZVSNCHLYBEKC-NSHDSACASA-N 1 0 308.376 3.205 10 0 DGAERO CCN(C)c1ccc(C[NH+]2CCC(OCC(C)C)CC2)cn1 ZINC000191264879 165240229 /nfs/dbraw/zinc/24/02/29/165240229.db2.gz HJFJKMOQJBBCKH-UHFFFAOYSA-N 1 0 305.466 3.175 10 0 DGAERO O[C@H](CC1CCCC1)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000191314626 165241985 /nfs/dbraw/zinc/24/19/85/165241985.db2.gz HLOAHEGQFNOCJC-SJLPKXTDSA-N 1 0 307.434 3.202 10 0 DGAERO C[C@@H](CNC(=O)NCc1ccc(C2CC2)cc1)C[NH+]1CCCC1 ZINC000191310119 165242870 /nfs/dbraw/zinc/24/28/70/165242870.db2.gz UJYRPRIDQODWOE-HNNXBMFYSA-N 1 0 315.461 3.095 10 0 DGAERO CCn1cc(C2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)cn1 ZINC000191323697 165244809 /nfs/dbraw/zinc/24/48/09/165244809.db2.gz NIWUCEPOHQQRGY-SFHVURJKSA-N 1 0 305.466 3.024 10 0 DGAERO c1cn(C[C@H]2CCC[N@H+]2Cc2ccc(OCC3CC3)cc2)cn1 ZINC000191490639 165255108 /nfs/dbraw/zinc/25/51/08/165255108.db2.gz DWGKZOHNHYWWIQ-GOSISDBHSA-N 1 0 311.429 3.337 10 0 DGAERO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@H]1C(F)(F)F ZINC000191663220 165263033 /nfs/dbraw/zinc/26/30/33/165263033.db2.gz UEADMSLYFRKWLW-CYBMUJFWSA-N 1 0 314.351 3.196 10 0 DGAERO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1C(F)(F)F ZINC000191663207 165263217 /nfs/dbraw/zinc/26/32/17/165263217.db2.gz UEADMSLYFRKWLW-ZDUSSCGKSA-N 1 0 314.351 3.196 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)[nH]1 ZINC000191684523 165264540 /nfs/dbraw/zinc/26/45/40/165264540.db2.gz LQCMUYDVVAXOJZ-UHFFFAOYSA-N 1 0 321.428 3.295 10 0 DGAERO Cc1ccccc1C[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191768194 165268795 /nfs/dbraw/zinc/26/87/95/165268795.db2.gz FHUNITAHGXOHIC-GOSISDBHSA-N 1 0 312.388 3.025 10 0 DGAERO CC(C)c1cnc(NC(=O)N2CCC([NH+]3CCCC3)CC2)s1 ZINC000192394668 165290851 /nfs/dbraw/zinc/29/08/51/165290851.db2.gz OLEOXXMMMVBEQS-UHFFFAOYSA-N 1 0 322.478 3.359 10 0 DGAERO CC[N@@H+]1CCC[C@H](NCc2c(F)cccc2Br)C1 ZINC000192497515 165294605 /nfs/dbraw/zinc/29/46/05/165294605.db2.gz KCICZRPNEPFFGM-NSHDSACASA-N 1 0 315.230 3.162 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NCc2c(F)cccc2Br)C1 ZINC000192497528 165295213 /nfs/dbraw/zinc/29/52/13/165295213.db2.gz KCICZRPNEPFFGM-LLVKDONJSA-N 1 0 315.230 3.162 10 0 DGAERO C[NH+](C)C1CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000192878978 165309522 /nfs/dbraw/zinc/30/95/22/165309522.db2.gz MNUANYFUHPIQFS-UHFFFAOYSA-N 1 0 323.440 3.496 10 0 DGAERO c1cc(CCCN2CCC([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000193237167 165320318 /nfs/dbraw/zinc/32/03/18/165320318.db2.gz LUPWMGZKNYSYQA-UHFFFAOYSA-N 1 0 314.473 3.114 10 0 DGAERO C=Cn1cc(CN2CCC[C@H]2c2cc(OC)ccc2OC)cn1 ZINC000193634459 165329351 /nfs/dbraw/zinc/32/93/51/165329351.db2.gz DYXCBPZHEWHDJU-KRWDZBQOSA-N 1 0 313.401 3.338 10 0 DGAERO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194087317 165337753 /nfs/dbraw/zinc/33/77/53/165337753.db2.gz MADZGBWKCMFJHJ-XPLWTBFPSA-N 1 0 321.486 3.497 10 0 DGAERO CC(C)C(CNC(=O)N1CCC([NH+]2CCCC2)CC1)C(C)C ZINC000194372468 165344636 /nfs/dbraw/zinc/34/46/36/165344636.db2.gz REPVUZLKFVCDSZ-UHFFFAOYSA-N 1 0 309.498 3.184 10 0 DGAERO C[C@H](CC[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 ZINC000194491524 165346479 /nfs/dbraw/zinc/34/64/79/165346479.db2.gz DNEFDBHPKLVTEX-SJLPKXTDSA-N 1 0 312.461 3.172 10 0 DGAERO Cc1ccccc1CNC(=O)[C@@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194513848 165347885 /nfs/dbraw/zinc/34/78/85/165347885.db2.gz OUIYZFBHWQRPII-OAHLLOKOSA-N 1 0 323.440 3.057 10 0 DGAERO COc1cc(C[NH2+][C@H]2CCOc3c(F)cccc32)ccc1O ZINC000195000624 165359533 /nfs/dbraw/zinc/35/95/33/165359533.db2.gz WOJDJOORPWACBD-AWEZNQCLSA-N 1 0 303.333 3.153 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](CCC(=O)NC3CCCC3)C2)n1 ZINC000195339005 165367283 /nfs/dbraw/zinc/36/72/83/165367283.db2.gz NCIBWQDWIPHLTD-CQSZACIVSA-N 1 0 321.490 3.080 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@H](c2nccs2)C1)c1ccc(F)cc1 ZINC000195344761 165367620 /nfs/dbraw/zinc/36/76/20/165367620.db2.gz DBVPUJQSAAENMU-DZGCQCFKSA-N 1 0 306.406 3.195 10 0 DGAERO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195350944 165367974 /nfs/dbraw/zinc/36/79/74/165367974.db2.gz IZYRHKGCJDDSIJ-HNNXBMFYSA-N 1 0 316.426 3.309 10 0 DGAERO CCc1csc([C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 ZINC000195384401 165369015 /nfs/dbraw/zinc/36/90/15/165369015.db2.gz YBHSZSZKHOTWIC-GFCCVEGCSA-N 1 0 318.446 3.346 10 0 DGAERO CCCc1nc(CN2CCC[C@H](c3nc(CC)cs3)C2)no1 ZINC000195384135 165369449 /nfs/dbraw/zinc/36/94/49/165369449.db2.gz CCJPWIQSYUFVTC-LBPRGKRZSA-N 1 0 320.462 3.421 10 0 DGAERO Cc1ccc2nc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)cn2c1 ZINC000195442438 165370966 /nfs/dbraw/zinc/37/09/66/165370966.db2.gz LJZJAEVGJDQLGV-CQSZACIVSA-N 1 0 312.442 3.479 10 0 DGAERO CC1(C[NH2+]Cc2cc3c(cc2Br)OCO3)CCC1 ZINC000226786932 165385890 /nfs/dbraw/zinc/38/58/90/165385890.db2.gz YFNODJHVSHNJBI-UHFFFAOYSA-N 1 0 312.207 3.458 10 0 DGAERO C[C@H]1CN(Cc2cc(Br)c(Cl)s2)C[C@H](C)[NH2+]1 ZINC000227908283 165389213 /nfs/dbraw/zinc/38/92/13/165389213.db2.gz NDAWQDFKLVOWGB-YUMQZZPRSA-N 1 0 323.687 3.346 10 0 DGAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246570330 165525347 /nfs/dbraw/zinc/52/53/47/165525347.db2.gz XXRCCDSFCOWPAD-NCOADZHNSA-N 1 0 302.466 3.250 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[C@@H]2CCO[C@H]21 ZINC000248690524 165643655 /nfs/dbraw/zinc/64/36/55/165643655.db2.gz ASWLQRGCGZYFBU-USXIJHARSA-N 1 0 317.429 3.235 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc2c(c1)OCCO2 ZINC000248696906 165645721 /nfs/dbraw/zinc/64/57/21/165645721.db2.gz DMKIMXAJYJPXLQ-GGBBIFEXSA-N 1 0 315.413 3.066 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C12CCOCC2 ZINC000249004864 165662023 /nfs/dbraw/zinc/66/20/23/165662023.db2.gz NSBMTZSWGZSDJW-XOKHGSTOSA-N 1 0 307.409 3.451 10 0 DGAERO C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261793365 165748064 /nfs/dbraw/zinc/74/80/64/165748064.db2.gz QIGZNCFSEJUJCP-BPLDGKMQSA-N 1 0 300.402 3.327 10 0 DGAERO C[C@H](CC(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000261803394 165749637 /nfs/dbraw/zinc/74/96/37/165749637.db2.gz VZPBOCISJNSPBG-QGZVFWFLSA-N 1 0 310.441 3.210 10 0 DGAERO C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1ccccc1Cl ZINC000261966747 165771676 /nfs/dbraw/zinc/77/16/76/165771676.db2.gz BPOAOZGMGQDATE-GDZNZVCISA-N 1 0 306.837 3.297 10 0 DGAERO CC(C)c1ccc(OCCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262093800 165786845 /nfs/dbraw/zinc/78/68/45/165786845.db2.gz UOXSRSYBPANUDI-QGZVFWFLSA-N 1 0 318.461 3.165 10 0 DGAERO C[C@@H](c1cccc(Br)c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193606612 287142040 /nfs/dbraw/zinc/14/20/40/287142040.db2.gz JVMBIIMITYZCDV-FPMFFAJLSA-N 1 0 309.251 3.004 10 0 DGAERO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262612927 165813115 /nfs/dbraw/zinc/81/31/15/165813115.db2.gz WMIKESCLDPACQG-KZNAEPCWSA-N 1 0 318.461 3.096 10 0 DGAERO Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000365625634 287155355 /nfs/dbraw/zinc/15/53/55/287155355.db2.gz VNCKTNIVBOSVQC-GFCCVEGCSA-N 1 0 314.364 3.378 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@@H]3CCOc4ccccc43)o2)n[nH]1 ZINC000366013215 287199789 /nfs/dbraw/zinc/19/97/89/287199789.db2.gz XAYQIQXRUHJPES-ZDUSSCGKSA-N 1 0 309.369 3.326 10 0 DGAERO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129190063 196027256 /nfs/dbraw/zinc/02/72/56/196027256.db2.gz UAVAYRYEBWYQCN-BKQLOGFTSA-N 1 0 324.877 3.220 10 0 DGAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)C1 ZINC000129258472 196032986 /nfs/dbraw/zinc/03/29/86/196032986.db2.gz LRGVUDZGHVBERY-KGLIPLIRSA-N 1 0 324.350 3.478 10 0 DGAERO Fc1ccc([C@H]([NH2+]CCCn2ccnn2)c2ccccc2)cc1 ZINC000181982456 432152229 /nfs/dbraw/zinc/15/22/29/432152229.db2.gz HQAHFTQEBFBNKV-GOSISDBHSA-N 1 0 310.376 3.187 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2ccccc2c1O ZINC000246622806 432151001 /nfs/dbraw/zinc/15/10/01/432151001.db2.gz TXSDGDKCFFBNNV-HOTGVXAUSA-N 1 0 324.424 3.244 10 0 DGAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000181936218 432151238 /nfs/dbraw/zinc/15/12/38/432151238.db2.gz NRYJIZYHIGSVJG-OLZOCXBDSA-N 1 0 310.401 3.252 10 0 DGAERO C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(F)cc1F ZINC000246728749 432159311 /nfs/dbraw/zinc/15/93/11/432159311.db2.gz OONQLWPECKALPC-IPYPFGDCSA-N 1 0 322.399 3.154 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136679410 432159923 /nfs/dbraw/zinc/15/99/23/432159923.db2.gz XZFZCXQITIPABL-QGZVFWFLSA-N 1 0 311.429 3.454 10 0 DGAERO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000171678814 432159992 /nfs/dbraw/zinc/15/99/92/432159992.db2.gz LRBGNYCFXUTPCV-HUUCEWRRSA-N 1 0 321.490 3.469 10 0 DGAERO FC(F)(F)c1cccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000246744523 432161619 /nfs/dbraw/zinc/16/16/19/432161619.db2.gz GXVCBRYDQZEGSI-KGLIPLIRSA-N 1 0 317.376 3.412 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246745064 432161750 /nfs/dbraw/zinc/16/17/50/432161750.db2.gz YXIZSSSZUKWQSI-HLLBOEOZSA-N 1 0 303.450 3.038 10 0 DGAERO Cc1ccc(CN(CCO)Cc2nc3cc(F)ccc3o2)cc1 ZINC000181981798 432153243 /nfs/dbraw/zinc/15/32/43/432153243.db2.gz QJDFXHZQRDOYMP-UHFFFAOYSA-N 1 0 314.360 3.270 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000171644034 432154014 /nfs/dbraw/zinc/15/40/14/432154014.db2.gz KBXWARUGIYDEPM-CYBMUJFWSA-N 1 0 302.397 3.378 10 0 DGAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)CCS1 ZINC000171694987 432162092 /nfs/dbraw/zinc/16/20/92/432162092.db2.gz MNXFVJHVIJEKKB-JTQLQIEISA-N 1 0 316.829 3.245 10 0 DGAERO c1coc(-c2cc(CN3CC[C@@H](CNc4ccccn4)C3)no2)c1 ZINC000171645109 432154526 /nfs/dbraw/zinc/15/45/26/432154526.db2.gz PHMWVGFBLKMDHE-AWEZNQCLSA-N 1 0 324.384 3.264 10 0 DGAERO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000182148106 432162159 /nfs/dbraw/zinc/16/21/59/432162159.db2.gz VVXPBPZVXLUPEY-CVEARBPZSA-N 1 0 321.465 3.060 10 0 DGAERO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000129476360 196051076 /nfs/dbraw/zinc/05/10/76/196051076.db2.gz WYGPGCTXDZTGEH-MRXNPFEDSA-N 1 0 316.836 3.197 10 0 DGAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000182038195 432156186 /nfs/dbraw/zinc/15/61/86/432156186.db2.gz NCNYZYQEAGJDEW-INIZCTEOSA-N 1 0 320.433 3.047 10 0 DGAERO COc1ccccc1[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000246716763 432156466 /nfs/dbraw/zinc/15/64/66/432156466.db2.gz XHVPFWUMDBKSLQ-FRQCXROJSA-N 1 0 324.424 3.028 10 0 DGAERO O=C(N1CCc2ccccc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171671706 432157838 /nfs/dbraw/zinc/15/78/38/432157838.db2.gz LKSNIXTXBIWRMK-QGZVFWFLSA-N 1 0 313.445 3.119 10 0 DGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCCCCO ZINC000190463021 432158274 /nfs/dbraw/zinc/15/82/74/432158274.db2.gz ALQKEYPXEXCIGH-LLVKDONJSA-N 1 0 316.239 3.271 10 0 DGAERO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000182107888 432158682 /nfs/dbraw/zinc/15/86/82/432158682.db2.gz MKKMRUYDHHIZCP-QGZVFWFLSA-N 1 0 321.465 3.060 10 0 DGAERO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000182147786 432162712 /nfs/dbraw/zinc/16/27/12/432162712.db2.gz VOECSDGDQAEIAE-HZPDHXFCSA-N 1 0 321.465 3.152 10 0 DGAERO CC1CC[NH+](CCN2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000246804482 432165992 /nfs/dbraw/zinc/16/59/92/432165992.db2.gz RSAFLRIPJYFPFD-VQIMIIECSA-N 1 0 320.452 3.319 10 0 DGAERO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246803368 432166104 /nfs/dbraw/zinc/16/61/04/432166104.db2.gz BCZNBTZSBSPJSY-UKRRQHHQSA-N 1 0 323.400 3.021 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCSc2ccc(F)cc2)C1 ZINC000246802742 432166352 /nfs/dbraw/zinc/16/63/52/432166352.db2.gz DBOYQPPSJJJINE-CZUORRHYSA-N 1 0 324.465 3.153 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246832258 432169989 /nfs/dbraw/zinc/16/99/89/432169989.db2.gz DVAWSIDJVGHCCS-VYDXJSESSA-N 1 0 303.450 3.084 10 0 DGAERO COCc1ccsc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000182303073 432177168 /nfs/dbraw/zinc/17/71/68/432177168.db2.gz LQSDPNBXKVNMNR-UHFFFAOYSA-N 1 0 322.474 3.031 10 0 DGAERO CCC[C@H](C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190642285 432177796 /nfs/dbraw/zinc/17/77/96/432177796.db2.gz RXSKMBGVISUCKZ-WMZOPIPTSA-N 1 0 317.477 3.188 10 0 DGAERO Cc1ncsc1CC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000246930440 432181501 /nfs/dbraw/zinc/18/15/01/432181501.db2.gz DMJBFUNGVHCFIQ-CZUORRHYSA-N 1 0 302.443 3.456 10 0 DGAERO CC1(C)[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)[C@H]2CCCO[C@H]21 ZINC000246923004 432181916 /nfs/dbraw/zinc/18/19/16/432181916.db2.gz GCMFOGAQLFPKMU-ODVANORSSA-N 1 0 305.393 3.443 10 0 DGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000171897935 432182267 /nfs/dbraw/zinc/18/22/67/432182267.db2.gz TVOOUCAVGRFKBB-DNVCBOLYSA-N 1 0 323.440 3.390 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C)c(C)cc3C)[C@@H]2C1 ZINC000246859556 432173597 /nfs/dbraw/zinc/17/35/97/432173597.db2.gz SIUMLTIGDTUNDF-QRVBRYPASA-N 1 0 303.446 3.380 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Cl)cc3)CC[C@H]21 ZINC000246855067 432173662 /nfs/dbraw/zinc/17/36/62/432173662.db2.gz CRJHNUGXYDBIAM-SWLSCSKDSA-N 1 0 307.825 3.288 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(C)c(C)cc3C)[C@@H]2C1 ZINC000246859537 432174004 /nfs/dbraw/zinc/17/40/04/432174004.db2.gz SIUMLTIGDTUNDF-GUDVDZBRSA-N 1 0 303.446 3.380 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246874721 432175845 /nfs/dbraw/zinc/17/58/45/432175845.db2.gz VEWQZUSZIBCLTK-GXTWGEPZSA-N 1 0 323.412 3.171 10 0 DGAERO COc1ccc(F)cc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182288786 432176074 /nfs/dbraw/zinc/17/60/74/432176074.db2.gz NKIRZSINOUUOTH-LLVKDONJSA-N 1 0 303.333 3.414 10 0 DGAERO CN(C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000190633752 432176271 /nfs/dbraw/zinc/17/62/71/432176271.db2.gz QMIPTJAVMVJAMJ-KRWDZBQOSA-N 1 0 319.424 3.332 10 0 DGAERO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000139552267 432184416 /nfs/dbraw/zinc/18/44/16/432184416.db2.gz VODGFLBFSYFWML-GJZGRUSLSA-N 1 0 309.841 3.185 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c(F)cccc1Cl ZINC000246964100 432185051 /nfs/dbraw/zinc/18/50/51/432185051.db2.gz MZQLRFDKZXSEPC-OLZOCXBDSA-N 1 0 324.827 3.107 10 0 DGAERO CCC[C@H](C)C(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246969786 432186024 /nfs/dbraw/zinc/18/60/24/432186024.db2.gz PYGDUEBUWOOJFZ-KKUMJFAQSA-N 1 0 324.490 3.062 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@](C)(O)c2cccs2)cc1 ZINC000182383832 432186103 /nfs/dbraw/zinc/18/61/03/432186103.db2.gz GNLJIDXFYNYUMM-DYVFJYSZSA-N 1 0 305.443 3.358 10 0 DGAERO Cc1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c(C)s1 ZINC000171972423 432188150 /nfs/dbraw/zinc/18/81/50/432188150.db2.gz GIOQKDRJRVZNJX-KRWDZBQOSA-N 1 0 308.491 3.052 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000150745415 432188585 /nfs/dbraw/zinc/18/85/85/432188585.db2.gz LGGQWVWMXFOTBY-KRWDZBQOSA-N 1 0 302.418 3.482 10 0 DGAERO C[N@@H+](Cc1ccc(Cl)nc1)C[C@@H](O)CCc1ccccc1 ZINC000182441712 432190016 /nfs/dbraw/zinc/19/00/16/432190016.db2.gz IJIFSZPKIYJRGY-INIZCTEOSA-N 1 0 304.821 3.161 10 0 DGAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000247010537 432190486 /nfs/dbraw/zinc/19/04/86/432190486.db2.gz LEBOFBSFZOJILZ-YQQAZPJKSA-N 1 0 318.461 3.227 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)c(Cl)c1 ZINC000247009307 432190828 /nfs/dbraw/zinc/19/08/28/432190828.db2.gz RDWXUUXEZQMSMP-GJZGRUSLSA-N 1 0 306.837 3.347 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCN1CCCC1=O ZINC000190809875 432191105 /nfs/dbraw/zinc/19/11/05/432191105.db2.gz NWFCUZSIEYTRPP-UHFFFAOYSA-N 1 0 314.351 3.116 10 0 DGAERO C[C@]1(c2ccccc2)C[N@H+](C[C@H](O)CC2CCCC2)CCO1 ZINC000190698152 432183098 /nfs/dbraw/zinc/18/30/98/432183098.db2.gz PWKIDSFHULYPEM-RTBURBONSA-N 1 0 303.446 3.175 10 0 DGAERO CSCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000129749463 196073275 /nfs/dbraw/zinc/07/32/75/196073275.db2.gz YMVNIHSCANBYPM-SWLSCSKDSA-N 1 0 312.504 3.000 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000247072747 432199522 /nfs/dbraw/zinc/19/95/22/432199522.db2.gz YOFZOPHOOLZNCQ-HKUYNNGSSA-N 1 0 323.440 3.176 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCOCc1ccccc1)CC2 ZINC000182472204 432194296 /nfs/dbraw/zinc/19/42/96/432194296.db2.gz KQZUUEQLPLDMLX-RTBURBONSA-N 1 0 303.446 3.220 10 0 DGAERO CCOC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000247065303 432197307 /nfs/dbraw/zinc/19/73/07/432197307.db2.gz UNBDTAFZPYCSEF-GVDBMIGSSA-N 1 0 318.461 3.001 10 0 DGAERO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@H]1c1ccco1 ZINC000172114267 432197829 /nfs/dbraw/zinc/19/78/29/432197829.db2.gz WQCSSXUGMVYJJG-INIZCTEOSA-N 1 0 317.433 3.001 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Br)cs1 ZINC000247082809 432200319 /nfs/dbraw/zinc/20/03/19/432200319.db2.gz LNGDNWLXNOTMMA-PWSUYJOCSA-N 1 0 315.280 3.179 10 0 DGAERO O=C(C[C@@H]1CCCc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247083872 432200329 /nfs/dbraw/zinc/20/03/29/432200329.db2.gz ILLGZDVTSYAMEX-ROUUACIJSA-N 1 0 312.457 3.193 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c(F)c1 ZINC000130465287 196085396 /nfs/dbraw/zinc/08/53/96/196085396.db2.gz XYEUZBXHRRACNY-PXAZEXFGSA-N 1 0 319.376 3.227 10 0 DGAERO Cc1ccccc1-c1nc(C[N@@H+](C(C)C)C2CCOCC2)no1 ZINC000130609801 196095888 /nfs/dbraw/zinc/09/58/88/196095888.db2.gz MNOHVSYKARMFOS-UHFFFAOYSA-N 1 0 315.417 3.434 10 0 DGAERO CCSc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000172213955 432203139 /nfs/dbraw/zinc/20/31/39/432203139.db2.gz HVLHTKPCTDTKQK-UHFFFAOYSA-N 1 0 307.463 3.357 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247107250 432203401 /nfs/dbraw/zinc/20/34/01/432203401.db2.gz OXZNMHOKLOLAIH-BQFCYCMXSA-N 1 0 315.461 3.182 10 0 DGAERO COCc1ccc([C@H]2CCC[N@@H+]2C[C@@](C)(O)c2ccccc2)o1 ZINC000130804419 196112170 /nfs/dbraw/zinc/11/21/70/196112170.db2.gz GATYCGPFASEZIO-IEBWSBKVSA-N 1 0 315.413 3.471 10 0 DGAERO C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1CCCC1 ZINC000172220898 432203661 /nfs/dbraw/zinc/20/36/61/432203661.db2.gz RNGBTVCHESOKJU-RHSMWYFYSA-N 1 0 303.450 3.167 10 0 DGAERO O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)C[NH2+]C2 ZINC000130992427 196129771 /nfs/dbraw/zinc/12/97/71/196129771.db2.gz ZFYWTXQUQFHKKE-UHFFFAOYSA-N 1 0 317.186 3.305 10 0 DGAERO CN(C(=O)C[C@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000247163284 432206837 /nfs/dbraw/zinc/20/68/37/432206837.db2.gz AMWQHRAVRVOJAQ-SJORKVTESA-N 1 0 300.446 3.049 10 0 DGAERO CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000182576789 432207263 /nfs/dbraw/zinc/20/72/63/432207263.db2.gz PHHRTCIJILLOIE-LSDHHAIUSA-N 1 0 319.401 3.077 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(Cl)s1 ZINC000247150970 432207855 /nfs/dbraw/zinc/20/78/55/432207855.db2.gz KCULMGSFJMPUMX-RYUDHWBXSA-N 1 0 312.866 3.029 10 0 DGAERO C[C@H](c1ccccc1F)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247186527 432208459 /nfs/dbraw/zinc/20/84/59/432208459.db2.gz BOFWRFVLTFVQRN-CVEARBPZSA-N 1 0 306.425 3.073 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCSc1ccccc1F ZINC000247173312 432209319 /nfs/dbraw/zinc/20/93/19/432209319.db2.gz KSLNCGYJSRAEGC-KGLIPLIRSA-N 1 0 322.449 3.003 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000247182305 432209388 /nfs/dbraw/zinc/20/93/88/432209388.db2.gz NQSLSQSDXKLHED-IAGOWNOFSA-N 1 0 317.408 3.047 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC(=O)NC1CCCC1 ZINC000151004421 432210016 /nfs/dbraw/zinc/21/00/16/432210016.db2.gz AVBJVRPKZXKIGH-CYBMUJFWSA-N 1 0 320.481 3.046 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)Cc2cnc3ccccc3c2)c1 ZINC000131350005 196160948 /nfs/dbraw/zinc/16/09/48/196160948.db2.gz WSXBMJUQHUEFJY-UHFFFAOYSA-N 1 0 319.408 3.478 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1O ZINC000247226156 432212661 /nfs/dbraw/zinc/21/26/61/432212661.db2.gz WCNXNPYHCAYLMO-GDBMZVCRSA-N 1 0 317.385 3.082 10 0 DGAERO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1cccs1 ZINC000182547806 432203819 /nfs/dbraw/zinc/20/38/19/432203819.db2.gz LEUPGKMWUKFZDM-JTQLQIEISA-N 1 0 307.394 3.149 10 0 DGAERO CC[N@H+](CCc1nccs1)C[C@H](O)CCc1ccccc1 ZINC000182566158 432204770 /nfs/dbraw/zinc/20/47/70/432204770.db2.gz XUHCOWLBFVBNRS-MRXNPFEDSA-N 1 0 304.459 3.001 10 0 DGAERO CCO[C@H](C)c1nc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000247134815 432205109 /nfs/dbraw/zinc/20/51/09/432205109.db2.gz ZNIUMUJFCBJGKQ-NFAWXSAZSA-N 1 0 311.495 3.155 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000191138915 432225760 /nfs/dbraw/zinc/22/57/60/432225760.db2.gz UBSHUYZLUIESJW-VXGBXAGGSA-N 1 0 304.365 3.214 10 0 DGAERO Cc1ccc(N2CCC[N@@H+]([C@H](C)c3ccccc3F)CC2)nn1 ZINC000247383710 432225989 /nfs/dbraw/zinc/22/59/89/432225989.db2.gz WFZBFEPJASSLEM-OAHLLOKOSA-N 1 0 314.408 3.197 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(Cl)c2)C1 ZINC000247377570 432226571 /nfs/dbraw/zinc/22/65/71/432226571.db2.gz SXRDIXSGTVIDII-KGLIPLIRSA-N 1 0 323.868 3.384 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+](C(C)C)C1CCOCC1 ZINC000172663352 432227916 /nfs/dbraw/zinc/22/79/16/432227916.db2.gz OLOKEJZYPUAXSR-UHFFFAOYSA-N 1 0 305.418 3.157 10 0 DGAERO C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247267906 432216382 /nfs/dbraw/zinc/21/63/82/432216382.db2.gz FJCFJQWMPLMVJW-MELADBBJSA-N 1 0 324.852 3.048 10 0 DGAERO CC(C)N1C[C@@H](C)[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000247264750 432216666 /nfs/dbraw/zinc/21/66/66/432216666.db2.gz XTPJQLABJSNBTD-RDHHWEPZSA-N 1 0 324.509 3.205 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000191067303 432217635 /nfs/dbraw/zinc/21/76/35/432217635.db2.gz KJTAGQZKPFMKMX-WMZOPIPTSA-N 1 0 314.477 3.370 10 0 DGAERO C[C@@H](NC(=O)NCC1(C)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182695459 432219178 /nfs/dbraw/zinc/21/91/78/432219178.db2.gz ZVQFNFRDBBVULI-CABCVRRESA-N 1 0 307.482 3.129 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000247277289 432219259 /nfs/dbraw/zinc/21/92/59/432219259.db2.gz FSSYUQPFMVYQAY-SNPRPXQTSA-N 1 0 324.415 3.161 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)C1 ZINC000247282016 432219313 /nfs/dbraw/zinc/21/93/13/432219313.db2.gz KIYRWWMOTAFNAA-FZCLSBEQSA-N 1 0 315.461 3.118 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)[C@@H](SC)c2ccccc2)CC1 ZINC000172532819 432219671 /nfs/dbraw/zinc/21/96/71/432219671.db2.gz SKIBIKRQTMMJHV-KRWDZBQOSA-N 1 0 320.502 3.329 10 0 DGAERO C[C@H](CCNC(=O)N1CCC[C@@H]1c1ccco1)[NH+]1CCCCC1 ZINC000182702637 432221380 /nfs/dbraw/zinc/22/13/80/432221380.db2.gz QUNQPJQLQJBBQT-HZPDHXFCSA-N 1 0 319.449 3.391 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](Cc3ccc(CO)cc3)C2)n1 ZINC000182726457 432222795 /nfs/dbraw/zinc/22/27/95/432222795.db2.gz MDMOTSSFHVOZAN-INIZCTEOSA-N 1 0 302.443 3.323 10 0 DGAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000131758775 196197076 /nfs/dbraw/zinc/19/70/76/196197076.db2.gz YRNWAAQZRCJBLJ-GDBMZVCRSA-N 1 0 324.877 3.002 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCCC2)cc1F ZINC000132009485 196218924 /nfs/dbraw/zinc/21/89/24/196218924.db2.gz CIQRFFPJYZOOQS-KBPBESRZSA-N 1 0 322.424 3.276 10 0 DGAERO CC(C)c1ncc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000133013159 196304863 /nfs/dbraw/zinc/30/48/63/196304863.db2.gz FJRDXORJIDIMOT-CQSZACIVSA-N 1 0 321.490 3.357 10 0 DGAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1 ZINC000133229550 196323089 /nfs/dbraw/zinc/32/30/89/196323089.db2.gz FVZDVVUIEPSIIG-UHFFFAOYSA-N 1 0 323.165 3.299 10 0 DGAERO C[C@H](C[NH2+]CCCNC(=O)c1cccs1)Cc1ccccc1 ZINC000134110345 196362683 /nfs/dbraw/zinc/36/26/83/196362683.db2.gz MDJKABMUNSSFIH-HNNXBMFYSA-N 1 0 316.470 3.336 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134460487 196392831 /nfs/dbraw/zinc/39/28/31/196392831.db2.gz GQECUBHNKCKUNB-JTQLQIEISA-N 1 0 306.353 3.320 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000190957275 287403083 /nfs/dbraw/zinc/40/30/83/287403083.db2.gz IEBJMOQGVIMHSP-HZPDHXFCSA-N 1 0 307.482 3.225 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177184801 228326384 /nfs/dbraw/zinc/32/63/84/228326384.db2.gz RJXAGAGOWCBAKM-RDJZCZTQSA-N 1 0 300.446 3.059 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2ccc3ncsc3c2)CC1 ZINC000178769056 228346326 /nfs/dbraw/zinc/34/63/26/228346326.db2.gz MPSYDFJWYAZXJN-UHFFFAOYSA-N 1 0 317.458 3.147 10 0 DGAERO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000184661134 228385802 /nfs/dbraw/zinc/38/58/02/228385802.db2.gz QBQHBIQTYYEFCG-HNNXBMFYSA-N 1 0 309.475 3.327 10 0 DGAERO COC[C@@H]1CN(c2c(C)c[nH+]c3c(C)cccc32)C[C@H](C)O1 ZINC000302564312 230298221 /nfs/dbraw/zinc/29/82/21/230298221.db2.gz OBNDCWZIVNFUEY-GJZGRUSLSA-N 1 0 300.402 3.092 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(OC(F)(F)F)cn2)C1 ZINC000302574142 230302959 /nfs/dbraw/zinc/30/29/59/230302959.db2.gz QLSGTWPHSSGRLL-GHMZBOCLSA-N 1 0 303.328 3.265 10 0 DGAERO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185280296 263632362 /nfs/dbraw/zinc/63/23/62/263632362.db2.gz WELIDDUCSTXDNS-WMLDXEAASA-N 1 0 323.456 3.362 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+]CCCc1c(C)nn(C)c1C ZINC000186238794 263652517 /nfs/dbraw/zinc/65/25/17/263652517.db2.gz VUEXVGBVTWLGKW-LBPRGKRZSA-N 1 0 307.463 3.390 10 0 DGAERO C[C@H]([NH2+]CCOc1ccc(F)cc1F)C1CCSCC1 ZINC000187278331 263671505 /nfs/dbraw/zinc/67/15/05/263671505.db2.gz AWRHKNRENVSUOB-NSHDSACASA-N 1 0 301.402 3.465 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191310811 263752192 /nfs/dbraw/zinc/75/21/92/263752192.db2.gz XZWWSAWOVHVBRG-CHWSQXEVSA-N 1 0 317.481 3.405 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(-c2cccs2)on1 ZINC000193268206 263790794 /nfs/dbraw/zinc/79/07/94/263790794.db2.gz CZWVMIZZZNAEGB-LBPRGKRZSA-N 1 0 321.446 3.109 10 0 DGAERO CNC(=O)[C@H]([NH2+]CCCc1c(Cl)cccc1Cl)C(C)C ZINC000193305028 263791957 /nfs/dbraw/zinc/79/19/57/263791957.db2.gz UEIYXDRANRBPQT-CQSZACIVSA-N 1 0 317.260 3.286 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1Br ZINC000218115085 263836009 /nfs/dbraw/zinc/83/60/09/263836009.db2.gz BTLXPPNNPWVDAD-ZFWWWQNUSA-N 1 0 312.251 3.398 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](CCOC2CCC2)CC1 ZINC000347041728 264145956 /nfs/dbraw/zinc/14/59/56/264145956.db2.gz BHYYCLQODZZDBX-UHFFFAOYSA-N 1 0 314.473 3.330 10 0 DGAERO C(=C\c1ccccc1)\CN1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347386027 264212366 /nfs/dbraw/zinc/21/23/66/264212366.db2.gz AJFLGVJTFCCDGV-QKWWCAPFSA-N 1 0 314.473 3.277 10 0 DGAERO c1nc2c(n1-c1ccccc1)CC[N@@H+](CC[C@@H]1CCCCO1)C2 ZINC000347800399 264287474 /nfs/dbraw/zinc/28/74/74/264287474.db2.gz LVKZQSRKEYSLHA-KRWDZBQOSA-N 1 0 311.429 3.190 10 0 DGAERO c1cc(Sc2ccccn2)oc1C[NH2+]CC[C@H]1CCOC1 ZINC000352871345 265208401 /nfs/dbraw/zinc/20/84/01/265208401.db2.gz UDYSKSZPRVOKKD-ZDUSSCGKSA-N 1 0 304.415 3.342 10 0 DGAERO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000247449443 432230170 /nfs/dbraw/zinc/23/01/70/432230170.db2.gz QBSMPHDZUXULKK-CGTJXYLNSA-N 1 0 304.478 3.147 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC000247435414 432230197 /nfs/dbraw/zinc/23/01/97/432230197.db2.gz OZPOWHXNJKGPTA-GGEQCSGTSA-N 1 0 318.505 3.392 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]Cc1c(C)nn(C)c1C)C(C)C ZINC000151205877 432229736 /nfs/dbraw/zinc/22/97/36/432229736.db2.gz QUEXCNDEEBRWJC-GOSISDBHSA-N 1 0 315.461 3.402 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000247455451 432232121 /nfs/dbraw/zinc/23/21/21/432232121.db2.gz QPBZVEZYANIHJO-HHXXYDBFSA-N 1 0 314.473 3.295 10 0 DGAERO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000355243245 266013781 /nfs/dbraw/zinc/01/37/81/266013781.db2.gz WLUSMKWDFOVIIP-ZWKOTPCHSA-N 1 0 311.429 3.121 10 0 DGAERO c1cn(Cc2ccccc2)c(CNC2CC([NH+]3CCCCC3)C2)n1 ZINC000355603779 266129608 /nfs/dbraw/zinc/12/96/08/266129608.db2.gz YHFGPZJJLVABAP-UHFFFAOYSA-N 1 0 324.472 3.038 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356235397 266326198 /nfs/dbraw/zinc/32/61/98/266326198.db2.gz STFNTPKFXDCQGL-DOTOQJQBSA-N 1 0 318.461 3.189 10 0 DGAERO CCc1cnccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182818260 432232415 /nfs/dbraw/zinc/23/24/15/432232415.db2.gz HCNWSKYDZOYVGD-GOEBONIOSA-N 1 0 315.461 3.027 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000247473360 432233315 /nfs/dbraw/zinc/23/33/15/432233315.db2.gz SCDJFMBJDORPDD-VKJFTORMSA-N 1 0 320.452 3.193 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCOc2ccccc2)[C@@H](C)C1 ZINC000247481664 432234043 /nfs/dbraw/zinc/23/40/43/432234043.db2.gz SURFTCDYKYDRAD-FUHWJXTLSA-N 1 0 318.461 3.034 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000247504412 432235877 /nfs/dbraw/zinc/23/58/77/432235877.db2.gz XVFPAFRQMLGZAN-KBAYOESNSA-N 1 0 315.461 3.262 10 0 DGAERO Cc1cc(C)c([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000151341708 432238916 /nfs/dbraw/zinc/23/89/16/432238916.db2.gz JPHCUAOTOTYYSG-ZWKOTPCHSA-N 1 0 304.478 3.109 10 0 DGAERO CC[NH+](CC)[C@H]1CCN([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000247542938 432240204 /nfs/dbraw/zinc/24/02/04/432240204.db2.gz PGTRQIWTJVQHFL-ZBFHGGJFSA-N 1 0 314.433 3.214 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191259621 432240546 /nfs/dbraw/zinc/24/05/46/432240546.db2.gz VQDJXZHVRBXPEC-WCQYABFASA-N 1 0 302.871 3.163 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000247598703 432243528 /nfs/dbraw/zinc/24/35/28/432243528.db2.gz TVOOUCAVGRFKBB-KXBFYZLASA-N 1 0 323.440 3.390 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000247618048 432243080 /nfs/dbraw/zinc/24/30/80/432243080.db2.gz STRITLJVRZYLDK-HOTGVXAUSA-N 1 0 316.445 3.279 10 0 DGAERO CCc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)oc1CC ZINC000247628607 432244039 /nfs/dbraw/zinc/24/40/39/432244039.db2.gz SMBJLJTUQHVNGS-UKRRQHHQSA-N 1 0 306.450 3.207 10 0 DGAERO CC[C@@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000183008561 432248203 /nfs/dbraw/zinc/24/82/03/432248203.db2.gz DKDBKASHUFPRBW-FUHWJXTLSA-N 1 0 316.445 3.426 10 0 DGAERO Clc1cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)ccc1Br ZINC000367575300 271046187 /nfs/dbraw/zinc/04/61/87/271046187.db2.gz LTKXLYOJSBJIDO-RTCCRHLQSA-N 1 0 316.626 3.085 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367626232 271054186 /nfs/dbraw/zinc/05/41/86/271054186.db2.gz NMKAISHHQKKMHV-OCCSQVGLSA-N 1 0 322.453 3.022 10 0 DGAERO CCOCCN1CC[N@@H+]([C@H](C)CCc2ccccc2)C[C@H]1CC ZINC000247807989 432251662 /nfs/dbraw/zinc/25/16/62/432251662.db2.gz TYLGNSPLRHUPDU-UYAOXDASSA-N 1 0 318.505 3.440 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@H]2CCCOc3ccccc32)cn1 ZINC000151520762 432253385 /nfs/dbraw/zinc/25/33/85/432253385.db2.gz MWCJQGRYQGWSOJ-KRWDZBQOSA-N 1 0 320.396 3.271 10 0 DGAERO Cc1ccc(F)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247911673 432254922 /nfs/dbraw/zinc/25/49/22/432254922.db2.gz AJJNUVSQMOHREB-ROUUACIJSA-N 1 0 312.388 3.309 10 0 DGAERO C[C@@H](NC(=O)C(C)(C)c1ccccc1F)C(C)(C)C[NH+](C)C ZINC000173045240 432255547 /nfs/dbraw/zinc/25/55/47/432255547.db2.gz POTITCLURHTLIE-CYBMUJFWSA-N 1 0 308.441 3.196 10 0 DGAERO Brc1cc2c(s1)CC[C@H]2N[C@H]1CCCC[NH2+]C1 ZINC000423571514 273473061 /nfs/dbraw/zinc/47/30/61/273473061.db2.gz XQNGHLANPLEKGY-GXSJLCMTSA-N 1 0 315.280 3.230 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1OC ZINC000247957039 432257210 /nfs/dbraw/zinc/25/72/10/432257210.db2.gz FQVYEVTYYNZVQS-RPLLJCPNSA-N 1 0 319.445 3.476 10 0 DGAERO COc1cccc(F)c1[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@H]1O ZINC000247991363 432258169 /nfs/dbraw/zinc/25/81/69/432258169.db2.gz JLLDSXGSBHIAJI-GEWABHDNSA-N 1 0 301.361 3.143 10 0 DGAERO CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CCCC1 ZINC000247990931 432258242 /nfs/dbraw/zinc/25/82/42/432258242.db2.gz JDKCTVZGLFIFFP-IAGOWNOFSA-N 1 0 301.434 3.016 10 0 DGAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000246308510 274296217 /nfs/dbraw/zinc/29/62/17/274296217.db2.gz DPMWETYBSJHHQU-LAQFHYBYSA-N 1 0 306.475 3.047 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000248795447 274521599 /nfs/dbraw/zinc/52/15/99/274521599.db2.gz JELIKIRXDJSUEU-POZUXBRTSA-N 1 0 311.429 3.481 10 0 DGAERO C[C@H]1CCN(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000262481022 274558617 /nfs/dbraw/zinc/55/86/17/274558617.db2.gz JZGMJANGTXDOSL-WDEREUQCSA-N 1 0 315.339 3.297 10 0 DGAERO CC[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1nccn1C ZINC000183105442 432259407 /nfs/dbraw/zinc/25/94/07/432259407.db2.gz SDAQDRWDGKGNKR-AWEZNQCLSA-N 1 0 304.463 3.191 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)[C@H]1CCCO1 ZINC000183104823 432259705 /nfs/dbraw/zinc/25/97/05/432259705.db2.gz YQOBHCUQUCQQKK-QWQRMKEZSA-N 1 0 312.413 3.324 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000262601337 274958777 /nfs/dbraw/zinc/95/87/77/274958777.db2.gz CRSYBWRZMJUUQH-CHWSQXEVSA-N 1 0 302.393 3.112 10 0 DGAERO O=C(N[C@@H]1CCc2c1cccc2Cl)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237895855 274987613 /nfs/dbraw/zinc/98/76/13/274987613.db2.gz XZGZBVFTTPZVNJ-UQCMEYCASA-N 1 0 318.848 3.364 10 0 DGAERO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000330147363 275045203 /nfs/dbraw/zinc/04/52/03/275045203.db2.gz IQGYZWRNQMODMR-DOTOQJQBSA-N 1 0 310.401 3.123 10 0 DGAERO OCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CCc2ccccc21 ZINC000435123345 275046751 /nfs/dbraw/zinc/04/67/51/275046751.db2.gz GEFQQRHRFJKCCF-SFHVURJKSA-N 1 0 323.396 3.152 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C1CCC1 ZINC000453396102 275058087 /nfs/dbraw/zinc/05/80/87/275058087.db2.gz YAOCMBCGHWAVTA-LSDHHAIUSA-N 1 0 314.351 3.228 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000281974046 275067927 /nfs/dbraw/zinc/06/79/27/275067927.db2.gz BPTLWFHZLLCOHE-IEBWSBKVSA-N 1 0 314.473 3.452 10 0 DGAERO Brc1ccnc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000302541607 275375667 /nfs/dbraw/zinc/37/56/67/275375667.db2.gz FYNNMBZYVJUPSI-CQSZACIVSA-N 1 0 324.266 3.299 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000119030507 275398344 /nfs/dbraw/zinc/39/83/44/275398344.db2.gz VWWIMHOFBDAAFO-HMWXGYMHSA-N 1 0 316.836 3.248 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC3CC3)cc2)CCN1C ZINC000191398862 432260486 /nfs/dbraw/zinc/26/04/86/432260486.db2.gz LDZCOHBVUIFQKC-YJBOKZPZSA-N 1 0 302.462 3.390 10 0 DGAERO CCc1cc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)o1 ZINC000247988680 432260258 /nfs/dbraw/zinc/26/02/58/432260258.db2.gz IUYBBKIRBKMQLI-IRXDYDNUSA-N 1 0 312.413 3.326 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(F)cc(F)c2)[C@@H]([NH3+])C1 ZINC000044136254 275520351 /nfs/dbraw/zinc/52/03/51/275520351.db2.gz BLUYDXOVUOLRBW-KBPBESRZSA-N 1 0 312.360 3.017 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH3+])c3c2cccc3F)CC1 ZINC000079027372 275823120 /nfs/dbraw/zinc/82/31/20/275823120.db2.gz VQRSABLJLMGKAR-CQSZACIVSA-N 1 0 320.408 3.498 10 0 DGAERO CC1CC[NH+](CC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000190706764 275937135 /nfs/dbraw/zinc/93/71/35/275937135.db2.gz HPCAUYHBNRNQCR-CYBMUJFWSA-N 1 0 320.399 3.155 10 0 DGAERO CCC[N@@H+](Cc1cnc2c(C)cccn12)C[C@@H]1CCCCO1 ZINC000093132437 276003173 /nfs/dbraw/zinc/00/31/73/276003173.db2.gz AIGXVZOXPKXAMF-KRWDZBQOSA-N 1 0 301.434 3.424 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000473516221 276009786 /nfs/dbraw/zinc/00/97/86/276009786.db2.gz AGAPBAOMHXJMRZ-MJGOQNOKSA-N 1 0 314.473 3.494 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCSc2ccccc21 ZINC000047869059 276116840 /nfs/dbraw/zinc/11/68/40/276116840.db2.gz MRRIJZGVMNKJHD-UKRRQHHQSA-N 1 0 321.490 3.253 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1c(F)cc(Cl)cc1F ZINC000182932801 276116993 /nfs/dbraw/zinc/11/69/93/276116993.db2.gz VLOCMKNKNHDXPT-SECBINFHSA-N 1 0 319.783 3.470 10 0 DGAERO CC[N@H+](CCNC(=O)N[C@@H]1CCc2cc(Cl)ccc21)C1CC1 ZINC000101996044 276127939 /nfs/dbraw/zinc/12/79/39/276127939.db2.gz CQKXXXUHEMSRJH-MRXNPFEDSA-N 1 0 321.852 3.111 10 0 DGAERO CCC[N@H+](Cc1cnc(N)s1)[C@H]1CCCc2cccnc21 ZINC000261969968 276256499 /nfs/dbraw/zinc/25/64/99/276256499.db2.gz IDFGIJOEZGDXOI-AWEZNQCLSA-N 1 0 302.447 3.410 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C12CCOCC2 ZINC000248977362 276347711 /nfs/dbraw/zinc/34/77/11/276347711.db2.gz HXKAZJDTTRILIL-RCCFBDPRSA-N 1 0 301.430 3.238 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)c(C)cc1C)CC2 ZINC000180619431 276694805 /nfs/dbraw/zinc/69/48/05/276694805.db2.gz IRPNMOLBWNDWSE-HOTGVXAUSA-N 1 0 312.461 3.431 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3ccc(C)cc31)CC2 ZINC000180620928 276695340 /nfs/dbraw/zinc/69/53/40/276695340.db2.gz STZVQWGBSLBQHB-NVXWUHKLSA-N 1 0 310.445 3.131 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3c1cccc3Cl)CC2 ZINC000152796796 276695835 /nfs/dbraw/zinc/69/58/35/276695835.db2.gz UIEYBEAFUDVVDU-ABAIWWIYSA-N 1 0 316.836 3.086 10 0 DGAERO CN1C(=O)C[C@H]([NH2+]Cc2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000092849915 277014891 /nfs/dbraw/zinc/01/48/91/277014891.db2.gz FTKNHNYNSFGTMK-GOEBONIOSA-N 1 0 320.845 3.463 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1Oc1ccccc1 ZINC000450671168 277101335 /nfs/dbraw/zinc/10/13/35/277101335.db2.gz YFCPIAUOPFMDCN-IFXJQAMLSA-N 1 0 313.397 3.470 10 0 DGAERO C[N@@H+]1CC[C@H]2CCN(Cc3cc4ccccc4nc3Cl)[C@@H]2C1 ZINC000181757572 277177077 /nfs/dbraw/zinc/17/70/77/277177077.db2.gz CVJLSYOXMDGYOA-SUMWQHHRSA-N 1 0 315.848 3.414 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000068222779 277436681 /nfs/dbraw/zinc/43/66/81/277436681.db2.gz ZPNNYVRMNSJMHB-AWEZNQCLSA-N 1 0 305.397 3.013 10 0 DGAERO CO[C@@H](C)[C@H](C)[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000467374366 277626242 /nfs/dbraw/zinc/62/62/42/277626242.db2.gz WINIDTJSEHSGNP-BHDSKKPTSA-N 1 0 302.340 3.491 10 0 DGAERO COc1cccc2c1CCN(C[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC000450873126 278029047 /nfs/dbraw/zinc/02/90/47/278029047.db2.gz JOKOWHCIAPYKAW-GOSISDBHSA-N 1 0 316.489 3.359 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000151963771 278046706 /nfs/dbraw/zinc/04/67/06/278046706.db2.gz MVVCOPFXYJXQEY-MNEFBYGVSA-N 1 0 314.473 3.324 10 0 DGAERO CSCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000132163374 278127233 /nfs/dbraw/zinc/12/72/33/278127233.db2.gz RSOVZURWSYRNTD-DOTOQJQBSA-N 1 0 320.502 3.251 10 0 DGAERO CC(NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])(c1ccccc1)c1ccccc1 ZINC000261872884 278162204 /nfs/dbraw/zinc/16/22/04/278162204.db2.gz XZGJVIXMAWTRTC-VQIMIIECSA-N 1 0 322.452 3.441 10 0 DGAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1F ZINC000191584438 278264393 /nfs/dbraw/zinc/26/43/93/278264393.db2.gz GFTFHGBXAAQPEL-ZDUSSCGKSA-N 1 0 324.827 3.063 10 0 DGAERO C[C@@H](C[NH2+]CCCN1CCCCCC1=O)Cc1ccccc1 ZINC000132903084 278282900 /nfs/dbraw/zinc/28/29/00/278282900.db2.gz RLMCCKMDIQEMOS-QGZVFWFLSA-N 1 0 302.462 3.248 10 0 DGAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000262440388 278321025 /nfs/dbraw/zinc/32/10/25/278321025.db2.gz GRZUAHXPXPNDLZ-BXUZGUMPSA-N 1 0 314.351 3.415 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1cnccn1 ZINC000119673353 278354336 /nfs/dbraw/zinc/35/43/36/278354336.db2.gz DFWDSXCOTWQWOS-SJLPKXTDSA-N 1 0 310.445 3.182 10 0 DGAERO C[C@@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000262568354 278535194 /nfs/dbraw/zinc/53/51/94/278535194.db2.gz XBRRZUHLLHXYND-ZWNOBZJWSA-N 1 0 315.339 3.297 10 0 DGAERO C[C@@H]1CCN(c2ncc(Cl)cc2Br)[C@@H](C[NH3+])C1 ZINC000235381103 278559381 /nfs/dbraw/zinc/55/93/81/278559381.db2.gz GNVXHLUQALGXCS-PSASIEDQSA-N 1 0 318.646 3.061 10 0 DGAERO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)C2(OC)CCOCC2)CCO1 ZINC000453201332 278606258 /nfs/dbraw/zinc/60/62/58/278606258.db2.gz WWNRAIUWOKFGIL-XIRDDKMYSA-N 1 0 313.482 3.144 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000248551282 278608788 /nfs/dbraw/zinc/60/87/88/278608788.db2.gz IOQFXYWRJFPBOC-RQJABVFESA-N 1 0 320.399 3.202 10 0 DGAERO O=C(Nc1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000108052732 431117357 /nfs/dbraw/zinc/11/73/57/431117357.db2.gz JGGUXCYRSCPSAH-GOSISDBHSA-N 1 0 309.413 3.473 10 0 DGAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190210160 279078293 /nfs/dbraw/zinc/07/82/93/279078293.db2.gz QWDHDCJGGDZYLW-RYUDHWBXSA-N 1 0 308.388 3.154 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H](C)c1ccccc1F ZINC000079982251 279142771 /nfs/dbraw/zinc/14/27/71/279142771.db2.gz LTPLDKAMLJVWRX-UONOGXRCSA-N 1 0 309.429 3.258 10 0 DGAERO CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247434121 279169428 /nfs/dbraw/zinc/16/94/28/279169428.db2.gz MMQOFQMBAXDATI-MAUKXSAKSA-N 1 0 317.477 3.088 10 0 DGAERO CC[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCc3sccc3C2)C1 ZINC000068593836 431136302 /nfs/dbraw/zinc/13/63/02/431136302.db2.gz NQCJLZMRLGFFGP-HIFRSBDPSA-N 1 0 306.475 3.191 10 0 DGAERO [NH3+][C@H]1CN(Cc2cccc3cccnc32)C[C@@H]1c1ccc(F)cc1 ZINC000108479099 431144684 /nfs/dbraw/zinc/14/46/84/431144684.db2.gz LVRFBBPCNSGUFR-MOPGFXCFSA-N 1 0 321.399 3.301 10 0 DGAERO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000069142325 431164830 /nfs/dbraw/zinc/16/48/30/431164830.db2.gz YYMBRFPZBDZAOC-CQSZACIVSA-N 1 0 321.467 3.082 10 0 DGAERO O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109086002 431170192 /nfs/dbraw/zinc/17/01/92/431170192.db2.gz AZENLZQIJDBSIF-LSDHHAIUSA-N 1 0 322.399 3.061 10 0 DGAERO CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109124623 431172983 /nfs/dbraw/zinc/17/29/83/431172983.db2.gz ZDWVXXNKVQKDCI-GJZGRUSLSA-N 1 0 324.415 3.115 10 0 DGAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000171678810 279431559 /nfs/dbraw/zinc/43/15/59/279431559.db2.gz LRBGNYCFXUTPCV-LSDHHAIUSA-N 1 0 321.490 3.469 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000108511944 431147036 /nfs/dbraw/zinc/14/70/36/431147036.db2.gz IECIMNLVPYIBBA-UHFFFAOYSA-N 1 0 314.433 3.411 10 0 DGAERO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000068903164 431150308 /nfs/dbraw/zinc/15/03/08/431150308.db2.gz XLRVUHNDEYPDFO-QZTJIDSGSA-N 1 0 318.436 3.310 10 0 DGAERO C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000108820606 431156124 /nfs/dbraw/zinc/15/61/24/431156124.db2.gz VJVORXHURWSEJL-VQTJNVASSA-N 1 0 322.452 3.496 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(CCSC)cc2)C1 ZINC000069683516 431211402 /nfs/dbraw/zinc/21/14/02/431211402.db2.gz NSLWLVNQHZALRI-MRXNPFEDSA-N 1 0 321.490 3.198 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)s1 ZINC000111360044 431217237 /nfs/dbraw/zinc/21/72/37/431217237.db2.gz JCUUONQMHXNOLD-MFKMUULPSA-N 1 0 304.415 3.251 10 0 DGAERO CC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC1CC1 ZINC000070011807 431235952 /nfs/dbraw/zinc/23/59/52/431235952.db2.gz APEAFOBLEQJCQZ-GFCCVEGCSA-N 1 0 318.244 3.465 10 0 DGAERO CCCC[NH+]1CCC(COC(=O)c2cccc3c2NCC3)CC1 ZINC000001886907 431242555 /nfs/dbraw/zinc/24/25/55/431242555.db2.gz IKBYULMHGAWKDX-UHFFFAOYSA-N 1 0 316.445 3.324 10 0 DGAERO OC1CCN(c2ccc(Nc3ccnc(C4CC4)n3)cc2)CC1 ZINC000112514673 431278085 /nfs/dbraw/zinc/27/80/85/431278085.db2.gz SGVUXGNRPIMLAT-UHFFFAOYSA-N 1 0 310.401 3.059 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccnc(C2CC2)n1 ZINC000112555471 431284626 /nfs/dbraw/zinc/28/46/26/431284626.db2.gz IJQPAEQDBGAUOT-UHFFFAOYSA-N 1 0 310.445 3.442 10 0 DGAERO Cc1cc(C)cc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c1 ZINC000071790611 431285769 /nfs/dbraw/zinc/28/57/69/431285769.db2.gz GRDJSTQQMVNOOT-JKSUJKDBSA-N 1 0 304.434 3.355 10 0 DGAERO O=C(c1ccc(F)cc1F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000071886336 431308372 /nfs/dbraw/zinc/30/83/72/431308372.db2.gz NXOZGBGPFJNLPS-AWEZNQCLSA-N 1 0 308.372 3.055 10 0 DGAERO C[C@H]1C[C@@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112373791 431270242 /nfs/dbraw/zinc/27/02/42/431270242.db2.gz RUGVRDLIHBJQAS-CABZTGNLSA-N 1 0 306.207 3.337 10 0 DGAERO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c2ccccc12 ZINC000113226433 431333943 /nfs/dbraw/zinc/33/39/43/431333943.db2.gz QAWKSFCTIIMDEA-LSDHHAIUSA-N 1 0 324.424 3.157 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1Cl ZINC000113230835 431335837 /nfs/dbraw/zinc/33/58/37/431335837.db2.gz CIUDLVZUTKCCIR-CMPLNLGQSA-N 1 0 313.228 3.302 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCSc1ccccc1F ZINC000113226487 431336400 /nfs/dbraw/zinc/33/64/00/431336400.db2.gz KSLNCGYJSRAEGC-ZIAGYGMSSA-N 1 0 322.449 3.003 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)c1Cl ZINC000113225278 431336619 /nfs/dbraw/zinc/33/66/19/431336619.db2.gz WYGLPPCJKTXOAB-GHMZBOCLSA-N 1 0 313.228 3.302 10 0 DGAERO Cc1ccc(-c2cc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)on2)cc1 ZINC000113270839 431339947 /nfs/dbraw/zinc/33/99/47/431339947.db2.gz PSWJHYQNBAGYRM-RDJZCZTQSA-N 1 0 311.429 3.319 10 0 DGAERO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000113454510 431347268 /nfs/dbraw/zinc/34/72/68/431347268.db2.gz NEZGCFOLAQJUCD-ZDUSSCGKSA-N 1 0 316.376 3.109 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000113518026 431352921 /nfs/dbraw/zinc/35/29/21/431352921.db2.gz GEWJQPDOAZUMJW-PKOBYXMFSA-N 1 0 305.462 3.216 10 0 DGAERO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000007607109 431355731 /nfs/dbraw/zinc/35/57/31/431355731.db2.gz SHMFOUQUWYHFKL-WQGACYEGSA-N 1 0 310.388 3.310 10 0 DGAERO C[C@@H](C1CC1)n1nccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000073292673 431366985 /nfs/dbraw/zinc/36/69/85/431366985.db2.gz QUJVGRCEITUWIY-ZDUSSCGKSA-N 1 0 312.417 3.168 10 0 DGAERO CN(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000073903035 431388061 /nfs/dbraw/zinc/38/80/61/431388061.db2.gz QOZGJJVQTWCWQK-GOSISDBHSA-N 1 0 315.461 3.235 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1cccc(F)c1 ZINC000114483361 431391350 /nfs/dbraw/zinc/39/13/50/431391350.db2.gz AVMFPSXDNUBBDO-MRXNPFEDSA-N 1 0 316.380 3.105 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000073953042 431391362 /nfs/dbraw/zinc/39/13/62/431391362.db2.gz PHIKNNBCGZLNMV-IRXDYDNUSA-N 1 0 307.482 3.083 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](CC(C)C)C2)CC1 ZINC000073953050 431393050 /nfs/dbraw/zinc/39/30/50/431393050.db2.gz ZWDZMQCWLRBHGC-KRWDZBQOSA-N 1 0 309.498 3.186 10 0 DGAERO CCC(CC)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000074001303 431394950 /nfs/dbraw/zinc/39/49/50/431394950.db2.gz YXZORIXLOWWGMD-HOTGVXAUSA-N 1 0 309.498 3.471 10 0 DGAERO CC(C)[C@H]1CCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792145 431439201 /nfs/dbraw/zinc/43/92/01/431439201.db2.gz KBEICSXIKWUYKY-NPYXIHBLSA-N 1 0 307.482 3.222 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074832422 431442401 /nfs/dbraw/zinc/44/24/01/431442401.db2.gz XVUTXXNVTQAXKI-AEFFLSMTSA-N 1 0 317.477 3.337 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)Nc2ccccc2)ccc1F ZINC000115635969 431467800 /nfs/dbraw/zinc/46/78/00/431467800.db2.gz OUQWJUWHFRIGNW-UHFFFAOYSA-N 1 0 301.365 3.209 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000115694205 431471462 /nfs/dbraw/zinc/47/14/62/431471462.db2.gz FDZVSPIHFAUQAU-CJNGLKHVSA-N 1 0 321.440 3.265 10 0 DGAERO C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115782592 431473842 /nfs/dbraw/zinc/47/38/42/431473842.db2.gz LVWXEGQCWHQOQF-DYVFJYSZSA-N 1 0 321.440 3.265 10 0 DGAERO Cc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)s1 ZINC000075409240 431476288 /nfs/dbraw/zinc/47/62/88/431476288.db2.gz APWRHWWHHZAQJR-UHFFFAOYSA-N 1 0 303.431 3.440 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2c(C)noc2C)C12CCOCC2 ZINC000249022702 279874638 /nfs/dbraw/zinc/87/46/38/279874638.db2.gz QWTFCISRKNKWNW-HRCADAONSA-N 1 0 322.449 3.306 10 0 DGAERO O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262230116 279886659 /nfs/dbraw/zinc/88/66/59/279886659.db2.gz QGWNUIXCKDHVTM-RMRHIDDWSA-N 1 0 318.383 3.004 10 0 DGAERO O[C@@H](C[C@H]1CCC[N@@H+]1CCOCC(F)(F)F)c1ccccc1 ZINC000076076016 431523076 /nfs/dbraw/zinc/52/30/76/431523076.db2.gz WGFOSWOCYJSOMB-CABCVRRESA-N 1 0 317.351 3.153 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000116746481 431524583 /nfs/dbraw/zinc/52/45/83/431524583.db2.gz TVBMAORJJXGCOL-GFCCVEGCSA-N 1 0 305.397 3.076 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000116201947 431493343 /nfs/dbraw/zinc/49/33/43/431493343.db2.gz NHVGDFXTIHZOGK-IKGGRYGDSA-N 1 0 300.446 3.184 10 0 DGAERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116293448 431498550 /nfs/dbraw/zinc/49/85/50/431498550.db2.gz PYCYLPGVTYXKNO-INIZCTEOSA-N 1 0 314.385 3.454 10 0 DGAERO Cc1ccc(OCCC[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1C ZINC000116321111 431502984 /nfs/dbraw/zinc/50/29/84/431502984.db2.gz CNIURUXEZPTIEF-QGZVFWFLSA-N 1 0 313.445 3.295 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC000075862145 431503731 /nfs/dbraw/zinc/50/37/31/431503731.db2.gz XVPMUMWYAXEPMJ-ZDUSSCGKSA-N 1 0 308.388 3.155 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1OC(F)F ZINC000075995377 431511524 /nfs/dbraw/zinc/51/15/24/431511524.db2.gz QEZVQTSRRALADD-LLVKDONJSA-N 1 0 315.364 3.140 10 0 DGAERO Cc1cc(C)n(C[C@H]2C[N@H+](C[C@@H](C)c3ccccc3)CCO2)n1 ZINC000116878919 431534547 /nfs/dbraw/zinc/53/45/47/431534547.db2.gz FDMMISLREWSVDQ-DNVCBOLYSA-N 1 0 313.445 3.004 10 0 DGAERO C[C@@H](C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000116878766 431536500 /nfs/dbraw/zinc/53/65/00/431536500.db2.gz YCJFIQAOCFUXIX-FUHWJXTLSA-N 1 0 310.445 3.181 10 0 DGAERO CCCn1cc(C[NH2+]Cc2ccc(Br)cc2)cn1 ZINC000116915191 431539013 /nfs/dbraw/zinc/53/90/13/431539013.db2.gz DYXVCPYIPXSGFM-UHFFFAOYSA-N 1 0 308.223 3.345 10 0 DGAERO CCCc1nc(C)c(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000076491674 431552333 /nfs/dbraw/zinc/55/23/33/431552333.db2.gz AEHHDHRINHVQHO-JSGCOSHPSA-N 1 0 323.506 3.206 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000076486199 431554188 /nfs/dbraw/zinc/55/41/88/431554188.db2.gz VIORGONASKKPIU-IUODEOHRSA-N 1 0 324.852 3.151 10 0 DGAERO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457780609 280095052 /nfs/dbraw/zinc/09/50/52/280095052.db2.gz WYOYHDZOAWCCSA-FZMZJTMJSA-N 1 0 318.383 3.050 10 0 DGAERO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000013727868 431567723 /nfs/dbraw/zinc/56/77/23/431567723.db2.gz YFOLVPUQYZOPND-UHFFFAOYSA-N 1 0 316.376 3.188 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000077204587 431572886 /nfs/dbraw/zinc/57/28/86/431572886.db2.gz SMRHPQGKCAPRGA-FZMZJTMJSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)[C@H](CNC(=O)[C@H](C)c1cccnc1)[NH+]1CCC(C)CC1 ZINC000173939883 280251698 /nfs/dbraw/zinc/25/16/98/280251698.db2.gz LCLQVERVACETKR-AEFFLSMTSA-N 1 0 317.477 3.058 10 0 DGAERO CC(C)[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)cc1F ZINC000182130032 280326834 /nfs/dbraw/zinc/32/68/34/280326834.db2.gz KLNAHWKIJDODIC-BBRMVZONSA-N 1 0 314.832 3.096 10 0 DGAERO CCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000014953993 431598933 /nfs/dbraw/zinc/59/89/33/431598933.db2.gz FHOPEHYUMLJQKR-ZBFHGGJFSA-N 1 0 306.475 3.361 10 0 DGAERO CC1(C)CCCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000077513869 431604194 /nfs/dbraw/zinc/60/41/94/431604194.db2.gz JKDNCYBXCRVXPP-UHFFFAOYSA-N 1 0 315.461 3.366 10 0 DGAERO Cn1ccnc1CC1CC[NH+](CCSc2ccccc2)CC1 ZINC000117880473 431583455 /nfs/dbraw/zinc/58/34/55/431583455.db2.gz SDYYCQGFFRMJIU-UHFFFAOYSA-N 1 0 315.486 3.467 10 0 DGAERO CC1(C)CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000077355080 431589114 /nfs/dbraw/zinc/58/91/14/431589114.db2.gz VRDNUBWSORTYIV-MRXNPFEDSA-N 1 0 318.436 3.439 10 0 DGAERO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)Nc1ccccc1F ZINC000025439579 431656901 /nfs/dbraw/zinc/65/69/01/431656901.db2.gz JHTGOXNEOXTJFK-MRXNPFEDSA-N 1 0 312.388 3.471 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000077612489 431612643 /nfs/dbraw/zinc/61/26/43/431612643.db2.gz UFZFROBEPXDVHS-ROUUACIJSA-N 1 0 300.446 3.124 10 0 DGAERO CC(C)Oc1ccc(F)cc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000118816803 431620054 /nfs/dbraw/zinc/62/00/54/431620054.db2.gz JBCNDXSNYQJULP-CYBMUJFWSA-N 1 0 323.412 3.028 10 0 DGAERO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)c(SC)cc1OC ZINC000077988419 431631218 /nfs/dbraw/zinc/63/12/18/431631218.db2.gz UNPPYCREEWHOTR-YPMHNXCESA-N 1 0 311.447 3.083 10 0 DGAERO CSCCCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000119023343 431637380 /nfs/dbraw/zinc/63/73/80/431637380.db2.gz ZCEWJZGDYXYATI-UHFFFAOYSA-N 1 0 306.475 3.155 10 0 DGAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccnn1C ZINC000121889458 280505235 /nfs/dbraw/zinc/50/52/35/280505235.db2.gz HXQNWJILMWAATE-HNNXBMFYSA-N 1 0 305.809 3.385 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000078522663 431678234 /nfs/dbraw/zinc/67/82/34/431678234.db2.gz FJTOROHQVKRNIY-IRXDYDNUSA-N 1 0 317.477 3.476 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)NCc1cccs1 ZINC000078586937 431684250 /nfs/dbraw/zinc/68/42/50/431684250.db2.gz CBLBSHHOUZIGIH-QWRGUYRKSA-N 1 0 324.396 3.382 10 0 DGAERO Cc1ccc([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)o1 ZINC000120517257 431730700 /nfs/dbraw/zinc/73/07/00/431730700.db2.gz GCXCRVLTTSSJHL-MRXNPFEDSA-N 1 0 304.434 3.374 10 0 DGAERO C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CCCC1 ZINC000121183820 431749853 /nfs/dbraw/zinc/74/98/53/431749853.db2.gz RSYNASOXWLDXJC-FQEVSTJZSA-N 1 0 316.489 3.306 10 0 DGAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(C)nn(C)c2C)C12CCCC2 ZINC000121224858 431755217 /nfs/dbraw/zinc/75/52/17/431755217.db2.gz WVQPPASRMNTCEW-SJORKVTESA-N 1 0 305.466 3.207 10 0 DGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(C)nn(C)c2C)C12CCCC2 ZINC000121224706 431755596 /nfs/dbraw/zinc/75/55/96/431755596.db2.gz WVQPPASRMNTCEW-IAGOWNOFSA-N 1 0 305.466 3.207 10 0 DGAERO CC(C)c1nc([C@H]2CCCCCN2C[C@@H]2CCC[NH2+]C2)no1 ZINC000262035860 280668517 /nfs/dbraw/zinc/66/85/17/280668517.db2.gz XSSSPDYSVAISDP-HUUCEWRRSA-N 1 0 306.454 3.110 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000081578618 431796656 /nfs/dbraw/zinc/79/66/56/431796656.db2.gz YBXNWXXZGKLKAV-KBPBESRZSA-N 1 0 308.470 3.092 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000122125879 431814760 /nfs/dbraw/zinc/81/47/60/431814760.db2.gz XXMQOWOGEDDXBZ-IGCXYCKISA-N 1 0 324.415 3.303 10 0 DGAERO Cc1ccc(C[C@H](C)NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1 ZINC000121353330 431776544 /nfs/dbraw/zinc/77/65/44/431776544.db2.gz PKDWEOQHPXGZML-HEHGZKQESA-N 1 0 323.506 3.015 10 0 DGAERO Cc1nnc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)n1C1CC1 ZINC000121371447 431778412 /nfs/dbraw/zinc/77/84/12/431778412.db2.gz NFPLZXZYNGUIJM-WFASDCNBSA-N 1 0 314.408 3.439 10 0 DGAERO CN1CCN([C@H]2CCCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000122813779 431845331 /nfs/dbraw/zinc/84/53/31/431845331.db2.gz DARACZCYAXRXOG-IBGZPJMESA-N 1 0 307.526 3.059 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000122920707 431848869 /nfs/dbraw/zinc/84/88/69/431848869.db2.gz UVMUHRWMAMPNGQ-OAHLLOKOSA-N 1 0 315.465 3.303 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037622847 431849016 /nfs/dbraw/zinc/84/90/16/431849016.db2.gz WRPVUHDDYHJAPZ-UHFFFAOYSA-N 1 0 311.223 3.214 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc3cccnc32)CCN1C ZINC000123746883 431873309 /nfs/dbraw/zinc/87/33/09/431873309.db2.gz FLDITTOCCMGTBO-DYVFJYSZSA-N 1 0 301.409 3.288 10 0 DGAERO C[C@H](CN1CCCC1=O)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000037782600 431849882 /nfs/dbraw/zinc/84/98/82/431849882.db2.gz APIFWORYLDSJGE-SJKOYZFVSA-N 1 0 306.837 3.392 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000037805014 431850867 /nfs/dbraw/zinc/85/08/67/431850867.db2.gz BPDZROZECRUKBR-TVQRCGJNSA-N 1 0 303.233 3.325 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1cccs1 ZINC000037890118 431851721 /nfs/dbraw/zinc/85/17/21/431851721.db2.gz ATLLYZFZZCGAIB-NEPJUHHUSA-N 1 0 311.834 3.492 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1OC ZINC000123062406 431853968 /nfs/dbraw/zinc/85/39/68/431853968.db2.gz GEHIVIWIWPQIJJ-INIZCTEOSA-N 1 0 315.417 3.046 10 0 DGAERO Cc1ccc(C)c(SCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123085210 431854369 /nfs/dbraw/zinc/85/43/69/431854369.db2.gz SVTCHRFOQKIWCQ-HZPDHXFCSA-N 1 0 320.502 3.337 10 0 DGAERO C[C@@](CO)([NH2+]Cc1ccccc1)c1ccc(Br)cc1 ZINC000038110866 431855041 /nfs/dbraw/zinc/85/50/41/431855041.db2.gz PLQRKAZQMGXAFH-INIZCTEOSA-N 1 0 320.230 3.446 10 0 DGAERO COC(=O)c1cc(C[N@H+](C(C)C)C2CCOCC2)c(C)s1 ZINC000089129538 431860213 /nfs/dbraw/zinc/86/02/13/431860213.db2.gz CHVWLOFATIJVFC-UHFFFAOYSA-N 1 0 311.447 3.233 10 0 DGAERO C[C@@H]1CC(CCN2CC[NH+](C3CCOCC3)CC2)C[C@@H](C)C1 ZINC000089138783 431860552 /nfs/dbraw/zinc/86/05/52/431860552.db2.gz UJLHAGPPZOMQHT-IRXDYDNUSA-N 1 0 308.510 3.245 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2)CCN1C ZINC000123276528 431860881 /nfs/dbraw/zinc/86/08/81/431860881.db2.gz RBUZJBNIIXIQMM-WFASDCNBSA-N 1 0 311.267 3.364 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000089165112 431861485 /nfs/dbraw/zinc/86/14/85/431861485.db2.gz QAKVIQITAWAQNK-FKFRUQKQSA-N 1 0 324.262 3.446 10 0 DGAERO Cc1nn(C)c(C[NH2+][C@@H]2CCC[C@H](C)C2)c1Br ZINC000089231808 431861644 /nfs/dbraw/zinc/86/16/44/431861644.db2.gz GCCFHIIZGSHODX-GXSJLCMTSA-N 1 0 300.244 3.159 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000089264605 431862839 /nfs/dbraw/zinc/86/28/39/431862839.db2.gz UPWMHNJGXAWWBS-LBPRGKRZSA-N 1 0 322.430 3.457 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH]nc1-c1ccccc1F ZINC000123409963 431863964 /nfs/dbraw/zinc/86/39/64/431863964.db2.gz QUPMSVVEQGJZCO-OAHLLOKOSA-N 1 0 316.424 3.132 10 0 DGAERO CCCn1c2ccccc2nc1CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000123392313 431864117 /nfs/dbraw/zinc/86/41/17/431864117.db2.gz QSGKCJLBMIZJTL-INIZCTEOSA-N 1 0 314.477 3.362 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH]nc1-c1ccccc1F ZINC000123410179 431864338 /nfs/dbraw/zinc/86/43/38/431864338.db2.gz QUPMSVVEQGJZCO-HNNXBMFYSA-N 1 0 316.424 3.132 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000123391840 431864356 /nfs/dbraw/zinc/86/43/56/431864356.db2.gz KZZNBKIUEVVONA-CHWSQXEVSA-N 1 0 316.367 3.077 10 0 DGAERO CC[C@@](C)(O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000123441696 431865186 /nfs/dbraw/zinc/86/51/86/431865186.db2.gz BEGXLEQMMZBXSP-QGZVFWFLSA-N 1 0 309.837 3.396 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2coc(-c3cccs3)n2)CC[N@@H+]1C ZINC000123452129 431865746 /nfs/dbraw/zinc/86/57/46/431865746.db2.gz FGSYYKLRFRTYPK-TZMCWYRMSA-N 1 0 305.447 3.318 10 0 DGAERO Cc1noc(CC[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)n1 ZINC000089518058 431868908 /nfs/dbraw/zinc/86/89/08/431868908.db2.gz FDBAZVMIYFXDDB-HNNXBMFYSA-N 1 0 301.390 3.041 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)n1 ZINC000089517688 431868929 /nfs/dbraw/zinc/86/89/29/431868929.db2.gz KRKFREMJUOFCPE-JTQLQIEISA-N 1 0 311.332 3.181 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2ccccc2OC(F)(F)F)n1 ZINC000089518524 431868937 /nfs/dbraw/zinc/86/89/37/431868937.db2.gz BXMIRTXITYHAFX-SECBINFHSA-N 1 0 315.295 3.170 10 0 DGAERO CC[C@@H]([NH2+]CCc1nc(C)no1)c1ccc(OC(F)F)cc1 ZINC000089518330 431869106 /nfs/dbraw/zinc/86/91/06/431869106.db2.gz QOBAPWHVFCNYNA-CYBMUJFWSA-N 1 0 311.332 3.263 10 0 DGAERO Cc1ccc(CCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000123620771 431869979 /nfs/dbraw/zinc/86/99/79/431869979.db2.gz MUUOJQZKMBCIRD-SJLPKXTDSA-N 1 0 302.462 3.177 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)c1scnc1C1CC1)c1ccccc1 ZINC000089590141 431871077 /nfs/dbraw/zinc/87/10/77/431871077.db2.gz SAZDARXJLFRPHJ-AWEZNQCLSA-N 1 0 315.442 3.053 10 0 DGAERO CCc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)oc1CC ZINC000122337201 431827896 /nfs/dbraw/zinc/82/78/96/431827896.db2.gz BXYHJHMKLGIJQY-UHFFFAOYSA-N 1 0 304.434 3.105 10 0 DGAERO Cc1ccccc1CCC[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000084677164 431831310 /nfs/dbraw/zinc/83/13/10/431831310.db2.gz LWZUQPDWDNBCFS-GOSISDBHSA-N 1 0 316.489 3.113 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000084775377 431833641 /nfs/dbraw/zinc/83/36/41/431833641.db2.gz FRYBZABYTCZVKE-UUOJUMCQSA-N 1 0 300.446 3.387 10 0 DGAERO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2)C2CC2)s1 ZINC000036101262 431834886 /nfs/dbraw/zinc/83/48/86/431834886.db2.gz QKNMOZMABPUACH-INIZCTEOSA-N 1 0 317.454 3.461 10 0 DGAERO C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000047295911 431908179 /nfs/dbraw/zinc/90/81/79/431908179.db2.gz DGSAJPKWYCCIRG-HNNXBMFYSA-N 1 0 312.413 3.118 10 0 DGAERO Cc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(F)c1 ZINC000047337755 431908679 /nfs/dbraw/zinc/90/86/79/431908679.db2.gz QEBOJFYTWOZHBE-UHFFFAOYSA-N 1 0 305.397 3.226 10 0 DGAERO CC(C)[C@@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000047684909 431914654 /nfs/dbraw/zinc/91/46/54/431914654.db2.gz BOMFOYBAIWZBAA-OAHLLOKOSA-N 1 0 305.466 3.371 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H]1CCSc2ccccc21 ZINC000047869057 431916568 /nfs/dbraw/zinc/91/65/68/431916568.db2.gz MRRIJZGVMNKJHD-DZGCQCFKSA-N 1 0 321.490 3.253 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)o1 ZINC000048060245 431918769 /nfs/dbraw/zinc/91/87/69/431918769.db2.gz NDIXXUHRUHIYDQ-GOEBONIOSA-N 1 0 315.417 3.251 10 0 DGAERO OCc1nc2ccccc2n1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095078401 431921041 /nfs/dbraw/zinc/92/10/41/431921041.db2.gz HTWUNSHZUQJOHA-KRWDZBQOSA-N 1 0 321.424 3.051 10 0 DGAERO C[C@@H](c1ccccn1)[N@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088718 431921657 /nfs/dbraw/zinc/92/16/57/431921657.db2.gz PAEUAVJGVSSORT-LSDHHAIUSA-N 1 0 319.449 3.474 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000095089258 431922346 /nfs/dbraw/zinc/92/23/46/431922346.db2.gz HPBCBZCJAWPJCN-NEPJUHHUSA-N 1 0 311.451 3.051 10 0 DGAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(C)s1 ZINC000089732148 431876566 /nfs/dbraw/zinc/87/65/66/431876566.db2.gz NJCAETCJLKIUON-UKRRQHHQSA-N 1 0 316.474 3.475 10 0 DGAERO CC[C@@H](C)n1ncc(C(=O)NC[C@H](C)[NH+](CC)CC)c1C1CC1 ZINC000089736696 431876828 /nfs/dbraw/zinc/87/68/28/431876828.db2.gz WYUUTEISNVLYAL-KGLIPLIRSA-N 1 0 320.481 3.192 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123940680 431878589 /nfs/dbraw/zinc/87/85/89/431878589.db2.gz WAMCDWQNBQXUBG-OCCSQVGLSA-N 1 0 323.868 3.001 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(N2CCCC2)nc1 ZINC000124189950 431885567 /nfs/dbraw/zinc/88/55/67/431885567.db2.gz ISLNSKOITNSWQQ-UHFFFAOYSA-N 1 0 324.428 3.044 10 0 DGAERO CCc1nc2c(s1)[C@@H]([NH2+]CCc1c(C)nn(C)c1C)CCC2 ZINC000124211316 431886549 /nfs/dbraw/zinc/88/65/49/431886549.db2.gz XIRZAQAIXGCGJC-AWEZNQCLSA-N 1 0 318.490 3.266 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000090227933 431889951 /nfs/dbraw/zinc/88/99/51/431889951.db2.gz QLVONLPLIHBHQC-QZTJIDSGSA-N 1 0 310.445 3.341 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)CCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000124377372 431891302 /nfs/dbraw/zinc/89/13/02/431891302.db2.gz HXQXOOSTKSLBEG-RYUDHWBXSA-N 1 0 314.882 3.275 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000124360692 431892254 /nfs/dbraw/zinc/89/22/54/431892254.db2.gz FTVBDORCKIQPMV-MRXNPFEDSA-N 1 0 311.429 3.116 10 0 DGAERO CCC[NH+](CCC)CCCNC(=O)c1cccc(OC)c1F ZINC000090525943 431892519 /nfs/dbraw/zinc/89/25/19/431892519.db2.gz AGKYCUXVCIWQRF-UHFFFAOYSA-N 1 0 310.413 3.076 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000090666144 431893572 /nfs/dbraw/zinc/89/35/72/431893572.db2.gz OQTPYOUWZSIFQO-QMTHXVAHSA-N 1 0 309.335 3.462 10 0 DGAERO C[N@H+](CCCn1ccnc1)Cc1csc(Br)c1 ZINC000124448045 431894849 /nfs/dbraw/zinc/89/48/49/431894849.db2.gz QNVURXZCHPQSTP-UHFFFAOYSA-N 1 0 314.252 3.229 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)ccc1F ZINC000090801589 431895593 /nfs/dbraw/zinc/89/55/93/431895593.db2.gz RPISWHGAFORLGH-ZFWWWQNUSA-N 1 0 315.392 3.159 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000046279024 431896578 /nfs/dbraw/zinc/89/65/78/431896578.db2.gz UUVXDOKREKAVRB-ZDUSSCGKSA-N 1 0 311.857 3.212 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000124516341 431896782 /nfs/dbraw/zinc/89/67/82/431896782.db2.gz JZNISBORSLVAFR-NEPJUHHUSA-N 1 0 314.351 3.260 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCc2ccccc21 ZINC000090937977 431898137 /nfs/dbraw/zinc/89/81/37/431898137.db2.gz KOPJIJMNJLWWFF-LIRRHRJNSA-N 1 0 319.408 3.062 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000090938664 431899129 /nfs/dbraw/zinc/89/91/29/431899129.db2.gz YENKNEDKAGKUBN-HOTGVXAUSA-N 1 0 321.424 3.444 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000090943026 431899156 /nfs/dbraw/zinc/89/91/56/431899156.db2.gz OODWPQWTLGNXCL-UYHISHBKSA-N 1 0 317.383 3.456 10 0 DGAERO Cc1ccc([C@H]2CCCCN2CC(=O)Nc2nccs2)o1 ZINC000124646878 431899535 /nfs/dbraw/zinc/89/95/35/431899535.db2.gz OIPVNLFQCFSSOJ-GFCCVEGCSA-N 1 0 305.403 3.210 10 0 DGAERO Cc1ccc([C@H]2CCCCN2CC(=O)N2CCC(C)CC2)o1 ZINC000124647882 431900219 /nfs/dbraw/zinc/90/02/19/431900219.db2.gz AXFOHLNBGLCXMK-MRXNPFEDSA-N 1 0 304.434 3.374 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000091060993 431901034 /nfs/dbraw/zinc/90/10/34/431901034.db2.gz HNCOVVKFTRZGJA-GOSISDBHSA-N 1 0 301.434 3.149 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000124751085 431903165 /nfs/dbraw/zinc/90/31/65/431903165.db2.gz XTWWISLCXJKDGF-TZMCWYRMSA-N 1 0 310.388 3.407 10 0 DGAERO C[C@@H]([NH2+]CCCC1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091284861 431904118 /nfs/dbraw/zinc/90/41/18/431904118.db2.gz IAOXOYOBJBEAHJ-CQSZACIVSA-N 1 0 324.490 3.345 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000124813172 431904909 /nfs/dbraw/zinc/90/49/09/431904909.db2.gz NEFSOJWZVDWZEG-FZMZJTMJSA-N 1 0 314.351 3.260 10 0 DGAERO C[C@@H]1CCc2c(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)csc2C1 ZINC000124797787 431904958 /nfs/dbraw/zinc/90/49/58/431904958.db2.gz WLPFYPXDRIMATG-MCIONIFRSA-N 1 0 320.502 3.428 10 0 DGAERO Fc1cc(C[NH2+]CCc2nccs2)ccc1Br ZINC000127432538 431971390 /nfs/dbraw/zinc/97/13/90/431971390.db2.gz GYHLCBATUVJASV-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO CCC1CCC(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000127412522 431971454 /nfs/dbraw/zinc/97/14/54/431971454.db2.gz FOWAVONHUBRTLL-WLYUNCDWSA-N 1 0 324.490 3.201 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2ccc(Cl)cc2)C1 ZINC000054510428 431971568 /nfs/dbraw/zinc/97/15/68/431971568.db2.gz IKOQGZMGYHOOLD-OAHLLOKOSA-N 1 0 323.868 3.213 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)CCCc2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000127584769 431976159 /nfs/dbraw/zinc/97/61/59/431976159.db2.gz SJQZLGRXZJOPOG-TZMCWYRMSA-N 1 0 322.399 3.029 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccccc2C)[C@H](C)C1 ZINC000127735147 431978854 /nfs/dbraw/zinc/97/88/54/431978854.db2.gz RTFXLVRMZWSTOH-RYRKJORJSA-N 1 0 317.477 3.428 10 0 DGAERO O=C(C[C@@H]1CC[NH2+]C1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000127732325 431979295 /nfs/dbraw/zinc/97/92/95/431979295.db2.gz JOSQQIQWQIXZJM-JTQLQIEISA-N 1 0 321.833 3.402 10 0 DGAERO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000125519801 431928232 /nfs/dbraw/zinc/92/82/32/431928232.db2.gz BNGQBPHDFQVILV-MLGOLLRUSA-N 1 0 312.479 3.015 10 0 DGAERO C[C@H]([NH2+]CCc1ccsc1)c1ccc(S(C)(=O)=O)cc1 ZINC000049152872 431937004 /nfs/dbraw/zinc/93/70/04/431937004.db2.gz LKSZKBKLKODENP-LBPRGKRZSA-N 1 0 309.456 3.045 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1nccs1 ZINC000126199842 431944789 /nfs/dbraw/zinc/94/47/89/431944789.db2.gz DKPPGPJSFIIOOU-UWVGGRQHSA-N 1 0 309.822 3.474 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)no1 ZINC000050273598 431947661 /nfs/dbraw/zinc/94/76/61/431947661.db2.gz PSHGZSMXLXGSLZ-MRXNPFEDSA-N 1 0 319.792 3.316 10 0 DGAERO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)cc1F ZINC000126364578 431947799 /nfs/dbraw/zinc/94/77/99/431947799.db2.gz ZKLNIMSCNHJNTL-GFCCVEGCSA-N 1 0 310.800 3.098 10 0 DGAERO C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H]1COc2ccccc21 ZINC000126399128 431948684 /nfs/dbraw/zinc/94/86/84/431948684.db2.gz NUMAWHPOWSQJLU-RDTXWAMCSA-N 1 0 324.424 3.043 10 0 DGAERO CC(C)CO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(C)C ZINC000126420316 431949881 /nfs/dbraw/zinc/94/98/81/431949881.db2.gz FILXHLLCFVHDJQ-IRXDYDNUSA-N 1 0 324.509 3.063 10 0 DGAERO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000126493629 431951267 /nfs/dbraw/zinc/95/12/67/431951267.db2.gz HQOPUKFEFBIIIG-STQMWFEESA-N 1 0 321.852 3.185 10 0 DGAERO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000126494051 431951469 /nfs/dbraw/zinc/95/14/69/431951469.db2.gz HQOPUKFEFBIIIG-QWHCGFSZSA-N 1 0 321.852 3.185 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(Br)s1 ZINC000052001554 431953987 /nfs/dbraw/zinc/95/39/87/431953987.db2.gz LNHLAKPJVNZRNT-BBBLOLIVSA-N 1 0 304.253 3.465 10 0 DGAERO CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCCO2 ZINC000126715760 431956042 /nfs/dbraw/zinc/95/60/42/431956042.db2.gz DZIBJPBBUAURCQ-DOTOQJQBSA-N 1 0 316.445 3.234 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccccc2Cl)C1 ZINC000052499075 431956549 /nfs/dbraw/zinc/95/65/49/431956549.db2.gz ZHBVEERVUKAMDF-QWHCGFSZSA-N 1 0 309.841 3.185 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000052594825 431957700 /nfs/dbraw/zinc/95/77/00/431957700.db2.gz INPUSUWPYUFAKY-ZIAGYGMSSA-N 1 0 307.463 3.079 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C)c(Br)cn1 ZINC000126813774 431958497 /nfs/dbraw/zinc/95/84/97/431958497.db2.gz UBVZKKULVFEEFO-LBPRGKRZSA-N 1 0 312.255 3.073 10 0 DGAERO C[C@H](C1CC1)N(C(=O)C[N@H+](C)CCc1ccc(F)cc1)C1CC1 ZINC000097269086 431967212 /nfs/dbraw/zinc/96/72/12/431967212.db2.gz JREZSXUHFYBZIZ-CQSZACIVSA-N 1 0 318.436 3.090 10 0 DGAERO CC(=O)N1CC[C@H](CN(C)c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000097371942 431967647 /nfs/dbraw/zinc/96/76/47/431967647.db2.gz DKVUBQCNUWMXKA-MRXNPFEDSA-N 1 0 311.429 3.156 10 0 DGAERO C[NH2+][C@H](C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000054075293 431968012 /nfs/dbraw/zinc/96/80/12/431968012.db2.gz VEQXCGSFTAOOPG-SNVBAGLBSA-N 1 0 303.233 3.338 10 0 DGAERO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000097466601 431969428 /nfs/dbraw/zinc/96/94/28/431969428.db2.gz BSUFCOLUUVSNCV-LBPRGKRZSA-N 1 0 306.372 3.052 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000054322336 431969523 /nfs/dbraw/zinc/96/95/23/431969523.db2.gz XCMZQTACOCTFDC-MRXNPFEDSA-N 1 0 324.509 3.208 10 0 DGAERO Cc1ccc2[nH+]ccc(N3CCN(c4nccs4)CC3)c2c1 ZINC000302146508 281169535 /nfs/dbraw/zinc/16/95/35/281169535.db2.gz IFJDDBILMUWTPM-UHFFFAOYSA-N 1 0 310.426 3.326 10 0 DGAERO CCCCNC(=O)[C@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000101566211 431986533 /nfs/dbraw/zinc/98/65/33/431986533.db2.gz FGUFILWTOZGUQA-HNNXBMFYSA-N 1 0 306.450 3.049 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000056507851 431988054 /nfs/dbraw/zinc/98/80/54/431988054.db2.gz JDRAKUKWEREGQZ-MRXNPFEDSA-N 1 0 324.509 3.303 10 0 DGAERO CCN(Cc1nccn1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000101907591 431990380 /nfs/dbraw/zinc/99/03/80/431990380.db2.gz LCIPZGWXFNMUMY-FUHWJXTLSA-N 1 0 312.461 3.078 10 0 DGAERO CC(C)CC[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173306162 432269910 /nfs/dbraw/zinc/26/99/10/432269910.db2.gz GPAMEUXIUKWDLU-ZACQAIPSSA-N 1 0 309.498 3.468 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000173380050 432276314 /nfs/dbraw/zinc/27/63/14/432276314.db2.gz DLPATZYHEVAJMG-GOEBONIOSA-N 1 0 308.491 3.170 10 0 DGAERO Cn1ccnc1[C@H]([NH2+]CCCCOCc1ccccc1)C1CC1 ZINC000183262991 432276303 /nfs/dbraw/zinc/27/63/03/432276303.db2.gz NVNCHQUUIDPOTB-GOSISDBHSA-N 1 0 313.445 3.458 10 0 DGAERO C[C@H](CC[NH2+][C@H](C)c1cccc(CO)c1)NC(=O)OC(C)(C)C ZINC000183291672 432279585 /nfs/dbraw/zinc/27/95/85/432279585.db2.gz LVMMUOIKYVLVMY-ZIAGYGMSSA-N 1 0 322.449 3.133 10 0 DGAERO c1sc(C2CCCC2)nc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248357765 432281531 /nfs/dbraw/zinc/28/15/31/432281531.db2.gz PWIARXUZOPODDG-INIZCTEOSA-N 1 0 305.491 3.471 10 0 DGAERO C[C@H]1CCN(C(=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000173508416 432283110 /nfs/dbraw/zinc/28/31/10/432283110.db2.gz HNHRAZZKOSEOPM-SFHVURJKSA-N 1 0 322.452 3.352 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000248385812 432283163 /nfs/dbraw/zinc/28/31/63/432283163.db2.gz KBQFRUHYSYGFDI-GOEBONIOSA-N 1 0 301.409 3.370 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248397958 432284576 /nfs/dbraw/zinc/28/45/76/432284576.db2.gz SOPXXMDRPDUSPR-IAGOWNOFSA-N 1 0 312.413 3.236 10 0 DGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000151877791 432284524 /nfs/dbraw/zinc/28/45/24/432284524.db2.gz BVXWVLCHZDHOTP-QWHCGFSZSA-N 1 0 312.404 3.305 10 0 DGAERO Cc1cc(Cl)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1C ZINC000248397319 432284627 /nfs/dbraw/zinc/28/46/27/432284627.db2.gz HWZAPNFVJZQUSG-KGLIPLIRSA-N 1 0 306.837 3.266 10 0 DGAERO CN(C)c1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000173533977 432285431 /nfs/dbraw/zinc/28/54/31/432285431.db2.gz WNZRDSMAHVDKIQ-UHFFFAOYSA-N 1 0 301.478 3.060 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3ccccc3N(C)C)CC2)cn1 ZINC000173605002 432288845 /nfs/dbraw/zinc/28/88/45/432288845.db2.gz VTZYHMRQOAHAIQ-UHFFFAOYSA-N 1 0 312.461 3.349 10 0 DGAERO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCN2CCCC[C@@H]2C)cc1 ZINC000248441805 432291355 /nfs/dbraw/zinc/29/13/55/432291355.db2.gz KMABTACNHIWSOR-LSDHHAIUSA-N 1 0 303.450 3.170 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000173650552 432293183 /nfs/dbraw/zinc/29/31/83/432293183.db2.gz UXRBGLGOEXXIKE-LPHOPBHVSA-N 1 0 323.440 3.314 10 0 DGAERO Cc1ccc2c(c1)[C@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H](C)C2 ZINC000248527290 432298016 /nfs/dbraw/zinc/29/80/16/432298016.db2.gz DCBZOPMUNNQUAQ-QWQRMKEZSA-N 1 0 315.461 3.010 10 0 DGAERO CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000248542418 432298160 /nfs/dbraw/zinc/29/81/60/432298160.db2.gz CMSZYPKFNXXYPA-ZWKOTPCHSA-N 1 0 304.503 3.382 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)[C@H]1COc2ccccc21 ZINC000248556537 432299370 /nfs/dbraw/zinc/29/93/70/432299370.db2.gz BNPVHYBIYLLTFQ-XGWLTEMNSA-N 1 0 301.361 3.013 10 0 DGAERO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000248550087 432300470 /nfs/dbraw/zinc/30/04/70/432300470.db2.gz HURAIXVKODNHSR-OKZBNKHCSA-N 1 0 309.425 3.121 10 0 DGAERO CC[C@H](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248551619 432300646 /nfs/dbraw/zinc/30/06/46/432300646.db2.gz KQFBTHSGIDRBQQ-OVWQWFNUSA-N 1 0 317.477 3.090 10 0 DGAERO Cc1ccccc1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183550252 432301551 /nfs/dbraw/zinc/30/15/51/432301551.db2.gz VEQWIDFXKNFJMX-UHFFFAOYSA-N 1 0 323.440 3.476 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000183535988 432301895 /nfs/dbraw/zinc/30/18/95/432301895.db2.gz LJDJIGSBBJIYLL-HNNXBMFYSA-N 1 0 315.804 3.218 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccccc1OC(F)F)CC2 ZINC000128549139 431996598 /nfs/dbraw/zinc/99/65/98/431996598.db2.gz PYHIMCWYDHVLJY-RHSMWYFYSA-N 1 0 311.372 3.415 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C)cc1F ZINC000102699142 431997319 /nfs/dbraw/zinc/99/73/19/431997319.db2.gz GWQDZHMPGRZAHD-CYBMUJFWSA-N 1 0 310.413 3.130 10 0 DGAERO O[C@@H](C[N@@H+]1CC[C@H](Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000102845532 431998816 /nfs/dbraw/zinc/99/88/16/431998816.db2.gz XXNNJBWSMLJAEL-ROUUACIJSA-N 1 0 300.377 3.046 10 0 DGAERO CSCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000060565806 431999637 /nfs/dbraw/zinc/99/96/37/431999637.db2.gz OHXJAXOCYBAJST-OAHLLOKOSA-N 1 0 320.502 3.430 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccc(N(C)C(C)C)nc1 ZINC000191417983 432263921 /nfs/dbraw/zinc/26/39/21/432263921.db2.gz DECLRISMXIUSIV-UHFFFAOYSA-N 1 0 318.490 3.447 10 0 DGAERO CCc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248078910 432264871 /nfs/dbraw/zinc/26/48/71/432264871.db2.gz RNGVLSMMDJMWIR-OALUTQOASA-N 1 0 308.425 3.424 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000173242331 432267438 /nfs/dbraw/zinc/26/74/38/432267438.db2.gz UXRBWXKNMWKGBE-INIZCTEOSA-N 1 0 317.477 3.477 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]2C[C@H](C)O)s1 ZINC000248746939 432316228 /nfs/dbraw/zinc/31/62/28/432316228.db2.gz SIGLGJJPGFKLMU-WPRPVWTQSA-N 1 0 308.369 3.206 10 0 DGAERO CCCc1nc(CN2CC[C@@H](Oc3cccnc3)C2)cs1 ZINC000152242442 432316254 /nfs/dbraw/zinc/31/62/54/432316254.db2.gz DASSNBFMUGTBCR-OAHLLOKOSA-N 1 0 303.431 3.144 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2C)[C@@H](C)C1 ZINC000248741498 432316340 /nfs/dbraw/zinc/31/63/40/432316340.db2.gz QYZITJVMTSFOCS-LRDDRELGSA-N 1 0 308.853 3.451 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](C[C@H]3CCC=CO3)C2)c1 ZINC000248754085 432316398 /nfs/dbraw/zinc/31/63/98/432316398.db2.gz CMYGJTPSWYRUGE-GOEBONIOSA-N 1 0 303.402 3.186 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)CCS2 ZINC000248776829 432317623 /nfs/dbraw/zinc/31/76/23/432317623.db2.gz BFEBOWUOCPDZPU-DAXOMENPSA-N 1 0 307.459 3.373 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248768844 432318054 /nfs/dbraw/zinc/31/80/54/432318054.db2.gz XTPMINPRZYUZFA-OLZOCXBDSA-N 1 0 307.825 3.349 10 0 DGAERO Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000174084922 432319403 /nfs/dbraw/zinc/31/94/03/432319403.db2.gz HAJDLABEVHPHOV-LJQANCHMSA-N 1 0 323.440 3.061 10 0 DGAERO C[C@](O)(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1Cl ZINC000248809005 432320479 /nfs/dbraw/zinc/32/04/79/432320479.db2.gz KJFZUUKYZJIVPY-VZEFYGNVSA-N 1 0 321.848 3.095 10 0 DGAERO C[C@H](C(=O)N1CCC(c2ccncc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248841908 432322659 /nfs/dbraw/zinc/32/26/59/432322659.db2.gz QEASXZNOIVOEPO-OWCLPIDISA-N 1 0 315.461 3.049 10 0 DGAERO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248834318 432323039 /nfs/dbraw/zinc/32/30/39/432323039.db2.gz ZWHYAANUAHDCMA-VXGBXAGGSA-N 1 0 308.388 3.152 10 0 DGAERO CC[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000248851614 432324012 /nfs/dbraw/zinc/32/40/12/432324012.db2.gz HAYIXXYMYCKFTI-VBNZEHGJSA-N 1 0 324.852 3.064 10 0 DGAERO CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000248891307 432326885 /nfs/dbraw/zinc/32/68/85/432326885.db2.gz SCPUZBPGRAWPJJ-HKUYNNGSSA-N 1 0 317.477 3.053 10 0 DGAERO O=C1O[C@@H](C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC12CCC2 ZINC000248892579 432327219 /nfs/dbraw/zinc/32/72/19/432327219.db2.gz SKOGMIXLXXMLDG-NVXWUHKLSA-N 1 0 317.404 3.176 10 0 DGAERO COc1ccc([C@H](CCC(C)C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152353284 432327394 /nfs/dbraw/zinc/32/73/94/432327394.db2.gz KVKWWVWWPZHQSK-WMZOPIPTSA-N 1 0 318.461 3.383 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)ccc1F ZINC000174196327 432328356 /nfs/dbraw/zinc/32/83/56/432328356.db2.gz XKZJYPMWWHNAIQ-OCCSQVGLSA-N 1 0 320.387 3.018 10 0 DGAERO CC(C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000174195139 432328490 /nfs/dbraw/zinc/32/84/90/432328490.db2.gz AVILRWXIFCHFPY-KGLIPLIRSA-N 1 0 320.399 3.155 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000152402142 432330068 /nfs/dbraw/zinc/33/00/68/432330068.db2.gz KRBNACSMXQIFML-WMLDXEAASA-N 1 0 307.482 3.079 10 0 DGAERO CSCc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000174284262 432334533 /nfs/dbraw/zinc/33/45/33/432334533.db2.gz ZGCHUWQFEUXIDJ-DOMZBBRYSA-N 1 0 324.465 3.243 10 0 DGAERO Fc1cc2cccnc2c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152455127 432334888 /nfs/dbraw/zinc/33/48/88/432334888.db2.gz LBZNQXSFAMNMNL-GOSISDBHSA-N 1 0 323.371 3.422 10 0 DGAERO CSCc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000174284273 432335023 /nfs/dbraw/zinc/33/50/23/432335023.db2.gz ZGCHUWQFEUXIDJ-WFASDCNBSA-N 1 0 324.465 3.243 10 0 DGAERO Fc1ccc([C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c2ncc[nH]2)cc1 ZINC000249199259 432341672 /nfs/dbraw/zinc/34/16/72/432341672.db2.gz SFDIKSYEPIOHQF-ZACQAIPSSA-N 1 0 315.392 3.185 10 0 DGAERO COCCCN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000184007160 432343456 /nfs/dbraw/zinc/34/34/56/432343456.db2.gz AGTYWCUSSPLXGP-CQSZACIVSA-N 1 0 303.324 3.115 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](O)CC(F)(F)F)C2)cc1 ZINC000249370242 432345695 /nfs/dbraw/zinc/34/56/95/432345695.db2.gz OWWREHODHYEVNG-YUTCNCBUSA-N 1 0 317.351 3.186 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249363995 432346103 /nfs/dbraw/zinc/34/61/03/432346103.db2.gz UHSAXCHWFWUNGV-CEXWTWQISA-N 1 0 314.473 3.259 10 0 DGAERO Cc1nc(C[N@@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)sc1C ZINC000249560473 432351856 /nfs/dbraw/zinc/35/18/56/432351856.db2.gz LLRSJEPTHNPTRY-ZIAGYGMSSA-N 1 0 308.472 3.029 10 0 DGAERO c1nc(C[NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)co1 ZINC000192282015 432354374 /nfs/dbraw/zinc/35/43/74/432354374.db2.gz XBSCUQFNVCMEHK-UHFFFAOYSA-N 1 0 314.385 3.047 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(CC)o2)C12CCOCC2 ZINC000248624692 432307637 /nfs/dbraw/zinc/30/76/37/432307637.db2.gz COFWXJKRJCLPPW-KBRIMQKVSA-N 1 0 307.434 3.467 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000183612761 432307981 /nfs/dbraw/zinc/30/79/81/432307981.db2.gz YHKJZEVSEFBDRO-LLVKDONJSA-N 1 0 319.396 3.140 10 0 DGAERO CCC(CC)(CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000173918042 432308444 /nfs/dbraw/zinc/30/84/44/432308444.db2.gz CURBTKVKVBUEJS-QGZVFWFLSA-N 1 0 317.477 3.090 10 0 DGAERO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2F)o1 ZINC000248630433 432308478 /nfs/dbraw/zinc/30/84/78/432308478.db2.gz RQYKTHXYASFWAZ-DLBZAZTESA-N 1 0 319.376 3.436 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@H]2CCC[C@@H]2O)s1 ZINC000183633291 432311200 /nfs/dbraw/zinc/31/12/00/432311200.db2.gz RWMINZDTNYKHOH-ZJUUUORDSA-N 1 0 308.369 3.063 10 0 DGAERO O=C(NCCC1=CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000152181024 432312216 /nfs/dbraw/zinc/31/22/16/432312216.db2.gz UICNRJBSCQVHHY-QGZVFWFLSA-N 1 0 305.466 3.147 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc2c(c1)OCO2 ZINC000248708734 432312588 /nfs/dbraw/zinc/31/25/88/432312588.db2.gz IMGCTZNTRGVFCQ-XYZKALLWSA-N 1 0 301.386 3.024 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC000248717505 432313143 /nfs/dbraw/zinc/31/31/43/432313143.db2.gz GSGWCPWRARRHDQ-KOLCDFICSA-N 1 0 319.396 3.139 10 0 DGAERO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248738837 432314189 /nfs/dbraw/zinc/31/41/89/432314189.db2.gz PMRXHIXKVRBOIV-RIQILIMLSA-N 1 0 307.459 3.107 10 0 DGAERO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c[nH+]ccc1N(C)C ZINC000183666511 432314568 /nfs/dbraw/zinc/31/45/68/432314568.db2.gz CVELVTGXLONRRR-GDBMZVCRSA-N 1 0 309.413 3.166 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)c2cnn(C)c2C)s1 ZINC000183670612 432315095 /nfs/dbraw/zinc/31/50/95/432315095.db2.gz FHOHJQPLAMETTN-ZETCQYMHSA-N 1 0 318.368 3.363 10 0 DGAERO COC(=O)C1CCC([NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000192438076 432374209 /nfs/dbraw/zinc/37/42/09/432374209.db2.gz XRLXVFFUVQYHPA-IYXRBSQSSA-N 1 0 321.417 3.086 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000153000832 432375989 /nfs/dbraw/zinc/37/59/89/432375989.db2.gz DFUBLMCWZJTAFN-DOTOQJQBSA-N 1 0 315.461 3.046 10 0 DGAERO CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252446261 432376833 /nfs/dbraw/zinc/37/68/33/432376833.db2.gz QALPAMRLFKERFB-IMJJTQAJSA-N 1 0 306.837 3.219 10 0 DGAERO CCC(C)(C)NC(=O)C[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000153034978 432378545 /nfs/dbraw/zinc/37/85/45/432378545.db2.gz NULWGQIBLZMMPP-UHFFFAOYSA-N 1 0 317.477 3.176 10 0 DGAERO CNC(=O)c1ccc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000153040771 432378953 /nfs/dbraw/zinc/37/89/53/432378953.db2.gz XLMQARUFSQQYJT-KRWDZBQOSA-N 1 0 324.424 3.438 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2cccs2)CC[N@@H+]1C ZINC000174931301 432380769 /nfs/dbraw/zinc/38/07/69/432380769.db2.gz OWEVZVSGWFYWEM-KBPBESRZSA-N 1 0 323.506 3.150 10 0 DGAERO Fc1ccc(-n2ccc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)n2)cc1 ZINC000153118825 432385430 /nfs/dbraw/zinc/38/54/30/432385430.db2.gz OKYHUCRXSOWFDS-RDTXWAMCSA-N 1 0 315.392 3.012 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccccc1Cl ZINC000174987388 432386805 /nfs/dbraw/zinc/38/68/05/432386805.db2.gz TYNBNKMRCIZDRB-HZPDHXFCSA-N 1 0 320.864 3.358 10 0 DGAERO Cn1c2ccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)cc2sc1=O ZINC000192563434 432387046 /nfs/dbraw/zinc/38/70/46/432387046.db2.gz WBMYZLOOMTVQNP-HZPDHXFCSA-N 1 0 324.449 3.493 10 0 DGAERO CSCCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000175023563 432389708 /nfs/dbraw/zinc/38/97/08/432389708.db2.gz COJYLJNLQOVECP-KRWDZBQOSA-N 1 0 320.502 3.301 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000192599877 432392557 /nfs/dbraw/zinc/39/25/57/432392557.db2.gz FWMCHIOLXRZTDR-OAHLLOKOSA-N 1 0 313.438 3.254 10 0 DGAERO Cc1noc([C@H]2CCCN(CCC(Cl)(Cl)Cl)C2)n1 ZINC000184469038 432394887 /nfs/dbraw/zinc/39/48/87/432394887.db2.gz JAMCMODZHORKMW-VIFPVBQESA-N 1 0 312.628 3.318 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000192668260 432398100 /nfs/dbraw/zinc/39/81/00/432398100.db2.gz AKRWKXYETWBSJV-IYICPGQYSA-N 1 0 308.429 3.139 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccnn1C ZINC000192671395 432398305 /nfs/dbraw/zinc/39/83/05/432398305.db2.gz LSLCFNAWDCBOEM-VIFPVBQESA-N 1 0 301.287 3.429 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@H](C)c1ccccc1F ZINC000253548833 432399688 /nfs/dbraw/zinc/39/96/88/432399688.db2.gz KMSFBHMGQZSTSX-XHSDSOJGSA-N 1 0 318.436 3.405 10 0 DGAERO Clc1ccc2[nH+]c(N3CCOCC3)cc(N3CCCC3)c2c1 ZINC000253495227 432399718 /nfs/dbraw/zinc/39/97/18/432399718.db2.gz MUYBCFUHVOFHFN-UHFFFAOYSA-N 1 0 317.820 3.325 10 0 DGAERO CC(C)C[C@H](C)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000184529850 432401118 /nfs/dbraw/zinc/40/11/18/432401118.db2.gz ODLDULALDYLRLR-WFASDCNBSA-N 1 0 312.404 3.366 10 0 DGAERO C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccnn1C ZINC000192709954 432403466 /nfs/dbraw/zinc/40/34/66/432403466.db2.gz ZTJVFIGHNGPAKX-NSHDSACASA-N 1 0 313.323 3.212 10 0 DGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000249750336 432356673 /nfs/dbraw/zinc/35/66/73/432356673.db2.gz GKSSLNNKXSQZRR-MJBXVCDLSA-N 1 0 322.449 3.048 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1ccc(F)cc1F ZINC000249885815 432360436 /nfs/dbraw/zinc/36/04/36/432360436.db2.gz OZEKHNUJYIPBOC-IAQYHMDHSA-N 1 0 324.396 3.334 10 0 DGAERO O[C@@H](Cc1ccccc1)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000249917312 432361489 /nfs/dbraw/zinc/36/14/89/432361489.db2.gz XUQMEFDBQDTTIQ-HOTGVXAUSA-N 1 0 302.443 3.274 10 0 DGAERO O[C@H](Cc1ccccc1)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000249917304 432361913 /nfs/dbraw/zinc/36/19/13/432361913.db2.gz XUQMEFDBQDTTIQ-CVEARBPZSA-N 1 0 302.443 3.274 10 0 DGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192358996 432365547 /nfs/dbraw/zinc/36/55/47/432365547.db2.gz KZIRXBLGEHCCQW-SWLSCSKDSA-N 1 0 304.434 3.053 10 0 DGAERO COCc1ccc(C[N@@H+]2C[C@@H](CO)[C@@H](c3ccsc3)C2)cc1 ZINC000250130224 432366324 /nfs/dbraw/zinc/36/63/24/432366324.db2.gz WYCROXAAUROYJB-ZWKOTPCHSA-N 1 0 317.454 3.102 10 0 DGAERO C[C@@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC(C)(C)C1 ZINC000184218121 432368800 /nfs/dbraw/zinc/36/88/00/432368800.db2.gz SCHXQVLNUAJTOM-WCXIOVBPSA-N 1 0 306.494 3.392 10 0 DGAERO O=C(C[C@@H]1CCCc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000261642925 432436269 /nfs/dbraw/zinc/43/62/69/432436269.db2.gz AUZPBTSMTSJNTA-KRWDZBQOSA-N 1 0 312.457 3.099 10 0 DGAERO Fc1cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)ccc1Cl ZINC000261647791 432437202 /nfs/dbraw/zinc/43/72/02/432437202.db2.gz HBOZIYXJWAIFKI-MRXNPFEDSA-N 1 0 305.784 3.021 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccnn2C)n(-c2ccccc2)n1 ZINC000193036421 432442422 /nfs/dbraw/zinc/44/24/22/432442422.db2.gz SYBUEMKVMZVALH-GDBMZVCRSA-N 1 0 323.444 3.196 10 0 DGAERO COc1ccc(Cc2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)cc1 ZINC000261725377 432443781 /nfs/dbraw/zinc/44/37/81/432443781.db2.gz MKKFYIJAOKLCBW-BMFZPTHFSA-N 1 0 313.401 3.262 10 0 DGAERO CCOC(CN1CCO[C@H](c2ccc(Cl)cc2)C1)OCC ZINC000184950732 432447711 /nfs/dbraw/zinc/44/77/11/432447711.db2.gz QGKWDGMMWMROCU-HNNXBMFYSA-N 1 0 313.825 3.112 10 0 DGAERO C[NH2+]C1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000261773760 432447746 /nfs/dbraw/zinc/44/77/46/432447746.db2.gz WIYPQXJIVCXZBE-UHFFFAOYSA-N 1 0 305.809 3.179 10 0 DGAERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cs1 ZINC000193096094 432449566 /nfs/dbraw/zinc/44/95/66/432449566.db2.gz QJQQMKDGBVMRJE-OAHLLOKOSA-N 1 0 322.861 3.191 10 0 DGAERO CCC[C@@H](C(=O)Nc1cc(-c2ccccc2C)nn1C)[NH+](C)C ZINC000193116915 432449750 /nfs/dbraw/zinc/44/97/50/432449750.db2.gz SZVSWTHCLHDFEK-INIZCTEOSA-N 1 0 314.433 3.064 10 0 DGAERO FC(F)(F)c1cnc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000261785962 432450050 /nfs/dbraw/zinc/45/00/50/432450050.db2.gz FVFGXWNLQTUIQL-NSHDSACASA-N 1 0 319.396 3.126 10 0 DGAERO CC(C)(C)c1csc(CN(CC[NH3+])CCc2ccccc2)n1 ZINC000261796933 432450325 /nfs/dbraw/zinc/45/03/25/432450325.db2.gz RAIPFDVZMACYCM-UHFFFAOYSA-N 1 0 317.502 3.444 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000153863020 432450563 /nfs/dbraw/zinc/45/05/63/432450563.db2.gz PDURAEQVOCGEGP-QGZVFWFLSA-N 1 0 317.433 3.131 10 0 DGAERO CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261789913 432451319 /nfs/dbraw/zinc/45/13/19/432451319.db2.gz KUBYJPHFUHGROG-OZSLIKBDSA-N 1 0 318.848 3.185 10 0 DGAERO CCOC(C[N@@H+]1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C)OCC ZINC000184973059 432451333 /nfs/dbraw/zinc/45/13/33/432451333.db2.gz XUOLLJHUZDCCHR-HOCLYGCPSA-N 1 0 307.434 3.272 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000184985448 432451903 /nfs/dbraw/zinc/45/19/03/432451903.db2.gz CUSSNDOHSYUQQP-QZTJIDSGSA-N 1 0 300.446 3.191 10 0 DGAERO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000193121625 432452081 /nfs/dbraw/zinc/45/20/81/432452081.db2.gz DUWYDZCAOUDDLL-IEBWSBKVSA-N 1 0 318.461 3.130 10 0 DGAERO CSc1cccc(C)c1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000184978764 432452980 /nfs/dbraw/zinc/45/29/80/432452980.db2.gz FAYGAJVEVHWARA-CQSZACIVSA-N 1 0 319.474 3.419 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832060 432454613 /nfs/dbraw/zinc/45/46/13/432454613.db2.gz BUHSMVIEOWCLLQ-OCCSQVGLSA-N 1 0 303.381 3.040 10 0 DGAERO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185005520 432455968 /nfs/dbraw/zinc/45/59/68/432455968.db2.gz IAXRVKQGXYAMDS-GDBMZVCRSA-N 1 0 322.412 3.453 10 0 DGAERO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)C1CCCCC1)CC2 ZINC000185028771 432457008 /nfs/dbraw/zinc/45/70/08/432457008.db2.gz NGBUWYHRDFILHD-KRWDZBQOSA-N 1 0 319.445 3.003 10 0 DGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3sc4ccccc4c3Cl)C[C@@H]12 ZINC000185026981 432457504 /nfs/dbraw/zinc/45/75/04/432457504.db2.gz ZXIDZMMCKSLELB-YUSALJHKSA-N 1 0 320.845 3.364 10 0 DGAERO C[C@@H]1CCC[N@H+](CCNC(=O)C/C=C\c2cccc(F)c2)C1 ZINC000255373887 432409207 /nfs/dbraw/zinc/40/92/07/432409207.db2.gz CJXZUECEQXVXDV-YFUKIHRRSA-N 1 0 304.409 3.077 10 0 DGAERO COc1ccccc1/C=C\C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000255435431 432409900 /nfs/dbraw/zinc/40/99/00/432409900.db2.gz QWCANLKBJZWOQU-XFFZJAGNSA-N 1 0 324.424 3.086 10 0 DGAERO CCN(C(=O)NCC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184608424 432410783 /nfs/dbraw/zinc/41/07/83/432410783.db2.gz MYBXSPPSLDUOTG-KRWDZBQOSA-N 1 0 317.477 3.339 10 0 DGAERO CN(C)c1noc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000192782372 432413116 /nfs/dbraw/zinc/41/31/16/432413116.db2.gz KYQNKXJUKZAWIF-OAHLLOKOSA-N 1 0 320.824 3.420 10 0 DGAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C/C=C\c1ccc(F)cc1 ZINC000255892187 432413792 /nfs/dbraw/zinc/41/37/92/432413792.db2.gz JYXMAWDFHKDMGR-CHYADLBTSA-N 1 0 304.409 3.028 10 0 DGAERO CCN1CCCn2ccnc2[C@H]1C1CC[NH+](CC(C)C)CC1 ZINC000257189425 432415727 /nfs/dbraw/zinc/41/57/27/432415727.db2.gz IQQPVMBNRTXJDP-QGZVFWFLSA-N 1 0 304.482 3.018 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c(C)c1 ZINC000192814294 432418361 /nfs/dbraw/zinc/41/83/61/432418361.db2.gz KINNWJYMBZOCHJ-IRXDYDNUSA-N 1 0 310.445 3.413 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1 ZINC000192815178 432419615 /nfs/dbraw/zinc/41/96/15/432419615.db2.gz SDWMRKFKFVACFW-ZWKOTPCHSA-N 1 0 310.445 3.495 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccncc1 ZINC000175278726 432420228 /nfs/dbraw/zinc/42/02/28/432420228.db2.gz OKLHKZHKSGJGPC-WBMJQRKESA-N 1 0 315.804 3.191 10 0 DGAERO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000192852044 432422919 /nfs/dbraw/zinc/42/29/19/432422919.db2.gz MJJNMVYPVNYRDG-UXDRXVOSSA-N 1 0 324.472 3.266 10 0 DGAERO Cc1[nH]c2ccc(CNC(=O)[C@@](C)([NH3+])c3ccccc3)cc2c1C ZINC000262991143 432512228 /nfs/dbraw/zinc/51/22/28/432512228.db2.gz ZWHHZASIXUNWCJ-FQEVSTJZSA-N 1 0 321.424 3.275 10 0 DGAERO c1ccc2c(c1)-c1ccccc1C2[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185178433 432474388 /nfs/dbraw/zinc/47/43/88/432474388.db2.gz YBBHLLMWXWGVLC-FQEVSTJZSA-N 1 0 307.393 3.248 10 0 DGAERO Cc1ccc(CCCC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000262126392 432475464 /nfs/dbraw/zinc/47/54/64/432475464.db2.gz CNILDYUKYNFYMX-VQTJNVASSA-N 1 0 322.452 3.271 10 0 DGAERO C[C@H](CCSc1ccccc1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185195103 432476864 /nfs/dbraw/zinc/47/68/64/432476864.db2.gz WHNGMKMOTXCKNW-NVXWUHKLSA-N 1 0 307.459 3.049 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccccn3)C2)c1 ZINC000154152024 432477637 /nfs/dbraw/zinc/47/76/37/432477637.db2.gz ZKKMOEJLTGUBPL-HZPDHXFCSA-N 1 0 311.429 3.267 10 0 DGAERO C[C@@H](C(=O)NCC1(c2ccccc2)CCCCCC1)C1C[NH2+]C1 ZINC000262229010 432478929 /nfs/dbraw/zinc/47/89/29/432478929.db2.gz QCWLZUCDAIVJDB-MRXNPFEDSA-N 1 0 314.473 3.250 10 0 DGAERO CC1CCC(N(C[C@@H]2CCCO2)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261864415 281736012 /nfs/dbraw/zinc/73/60/12/281736012.db2.gz XGHZQHRDIPNVLU-YVZBVZGPSA-N 1 0 322.493 3.090 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000262416288 432483903 /nfs/dbraw/zinc/48/39/03/432483903.db2.gz PYDGRJUUBOEMIN-VDGAXYAQSA-N 1 0 322.452 3.475 10 0 DGAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185266917 432484318 /nfs/dbraw/zinc/48/43/18/432484318.db2.gz YFGYIPRHFXQTBP-NVXWUHKLSA-N 1 0 321.440 3.116 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000262409211 432484485 /nfs/dbraw/zinc/48/44/85/432484485.db2.gz SHCUPWRMWOAJRV-MXSMSXNCSA-N 1 0 300.446 3.027 10 0 DGAERO Cc1cccn2cc(CNCc3c[nH]c(-c4ccccc4)n3)nc12 ZINC000175997376 432485419 /nfs/dbraw/zinc/48/54/19/432485419.db2.gz UQUURQWEABXIQY-UHFFFAOYSA-N 1 0 317.396 3.323 10 0 DGAERO CC(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000185279526 432486194 /nfs/dbraw/zinc/48/61/94/432486194.db2.gz MJIPTLRNUWJFJC-AWEZNQCLSA-N 1 0 319.449 3.198 10 0 DGAERO CC(C)(C[NH3+])NC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000262493874 432487915 /nfs/dbraw/zinc/48/79/15/432487915.db2.gz BEUZSUNSKCTPKR-UHFFFAOYSA-N 1 0 324.468 3.332 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2noc(C3CCCCC3)n2)CC[N@@H+]1C ZINC000154294908 432489378 /nfs/dbraw/zinc/48/93/78/432489378.db2.gz YLUOGLDIPXVMHW-UKRRQHHQSA-N 1 0 306.454 3.032 10 0 DGAERO CCC(C)(C)c1ccc(CNC(=O)CCc2cncn2C)cc1 ZINC000193661460 432489555 /nfs/dbraw/zinc/48/95/55/432489555.db2.gz YVFRWGQBWDEXFE-UHFFFAOYSA-N 1 0 313.445 3.357 10 0 DGAERO C[C@H](C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)C1C[NH2+]C1 ZINC000262599362 432493147 /nfs/dbraw/zinc/49/31/47/432493147.db2.gz XOBJLCKZYNBERJ-NSHDSACASA-N 1 0 316.351 3.426 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000185352978 432493873 /nfs/dbraw/zinc/49/38/73/432493873.db2.gz QEOGUHOPRYBWKL-AWEZNQCLSA-N 1 0 323.824 3.229 10 0 DGAERO C[C@@H]1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193746696 432495414 /nfs/dbraw/zinc/49/54/14/432495414.db2.gz SIQHGBYRSWZXMS-SJLPKXTDSA-N 1 0 321.509 3.330 10 0 DGAERO CCC1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000176134403 432495656 /nfs/dbraw/zinc/49/56/56/432495656.db2.gz JICCHNWAJOGOOR-UHFFFAOYSA-N 1 0 307.482 3.415 10 0 DGAERO Cc1csc(C2(NC(=O)CC3(C[NH3+])CCCCC3)CCC2)n1 ZINC000262643682 432496123 /nfs/dbraw/zinc/49/61/23/432496123.db2.gz HXQLDOHDPVSCKW-UHFFFAOYSA-N 1 0 321.490 3.246 10 0 DGAERO CCCCc1nc2cc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)ccc2[nH]1 ZINC000262681649 432497109 /nfs/dbraw/zinc/49/71/09/432497109.db2.gz WDIXAFWTODQKQN-STQMWFEESA-N 1 0 314.433 3.362 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000185408355 432497874 /nfs/dbraw/zinc/49/78/74/432497874.db2.gz RGERVMRAFJRTQP-UHFFFAOYSA-N 1 0 310.388 3.361 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000262715724 432499342 /nfs/dbraw/zinc/49/93/42/432499342.db2.gz VFRSFSNXSWBBSH-RDTXWAMCSA-N 1 0 321.465 3.029 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000262782491 432503035 /nfs/dbraw/zinc/50/30/35/432503035.db2.gz MGRHTILSEIVLCM-GSHBMFQSSA-N 1 0 314.473 3.465 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1SC ZINC000176261436 432504722 /nfs/dbraw/zinc/50/47/22/432504722.db2.gz IGTJLGNGUKCSAD-CYBMUJFWSA-N 1 0 307.463 3.357 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(Cl)cc1F ZINC000176259247 432504842 /nfs/dbraw/zinc/50/48/42/432504842.db2.gz GOWCLVJLDFTBLS-GFCCVEGCSA-N 1 0 313.804 3.427 10 0 DGAERO C[C@H]1C[N@@H+](C2CCN(C(=O)CC3CCCCCC3)CC2)CCO1 ZINC000176344464 432513125 /nfs/dbraw/zinc/51/31/25/432513125.db2.gz QGAICEURLZOKDQ-INIZCTEOSA-N 1 0 322.493 3.059 10 0 DGAERO CCN(CC)C(=O)C1([NH2+]Cc2cc(O)cc(F)c2)CCCCC1 ZINC000185513018 432506557 /nfs/dbraw/zinc/50/65/57/432506557.db2.gz DAARVNMVUAADLH-UHFFFAOYSA-N 1 0 322.424 3.192 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176310135 432510879 /nfs/dbraw/zinc/51/08/79/432510879.db2.gz ZENNAXGASFUENF-HNNXBMFYSA-N 1 0 319.449 3.342 10 0 DGAERO COc1ccc2nc(-c3nc(C4([NH3+])CCCC4)no3)ccc2c1 ZINC000261903044 432460206 /nfs/dbraw/zinc/46/02/06/432460206.db2.gz YUMGGDMBJQXLGE-UHFFFAOYSA-N 1 0 310.357 3.021 10 0 DGAERO CC(C)Cc1ncc(CN(CC[NH3+])CCc2ccccc2)s1 ZINC000261920117 432460605 /nfs/dbraw/zinc/46/06/05/432460605.db2.gz BORHNWSIWNXNRP-UHFFFAOYSA-N 1 0 317.502 3.345 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)cc1 ZINC000185047558 432460725 /nfs/dbraw/zinc/46/07/25/432460725.db2.gz HZHAHRMZCPDSOV-CYBMUJFWSA-N 1 0 310.401 3.488 10 0 DGAERO Cn1cc(-c2cc(C[NH2+][C@H](c3ccccc3)C3CC3)on2)cn1 ZINC000185056813 432460766 /nfs/dbraw/zinc/46/07/66/432460766.db2.gz NWHRQBNOPDWNGM-GOSISDBHSA-N 1 0 308.385 3.316 10 0 DGAERO Fc1cccc(Cc2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)c1 ZINC000261928908 432460973 /nfs/dbraw/zinc/46/09/73/432460973.db2.gz JEHCKZVRVRHRRF-QEJZJMRPSA-N 1 0 301.365 3.393 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccccc1C ZINC000176332170 432511934 /nfs/dbraw/zinc/51/19/34/432511934.db2.gz OPXYFQFHQWMJDR-BBWFWOEESA-N 1 0 315.461 3.324 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000185057783 432462656 /nfs/dbraw/zinc/46/26/56/432462656.db2.gz JTFJNFKUEJQHMU-ZDUSSCGKSA-N 1 0 300.402 3.345 10 0 DGAERO Cc1cccc([C@H](C)[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1 ZINC000154023993 432464933 /nfs/dbraw/zinc/46/49/33/432464933.db2.gz AMASQFNSCCIHPR-ICSRJNTNSA-N 1 0 315.505 3.158 10 0 DGAERO CCN(Cc1ncc(C(F)(F)F)s1)[C@H]1CCC[NH2+]CC1 ZINC000261992514 432467253 /nfs/dbraw/zinc/46/72/53/432467253.db2.gz SNSGPFWBZFZUJE-JTQLQIEISA-N 1 0 307.385 3.126 10 0 DGAERO C[C@@]1(C[NH3+])CCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000262015460 432468241 /nfs/dbraw/zinc/46/82/41/432468241.db2.gz OJSJEEKMRBDFFU-FQEVSTJZSA-N 1 0 308.425 3.088 10 0 DGAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000193366241 432468379 /nfs/dbraw/zinc/46/83/79/432468379.db2.gz QIQATOOCAVXJFC-JSGCOSHPSA-N 1 0 301.377 3.135 10 0 DGAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000262024253 432469085 /nfs/dbraw/zinc/46/90/85/432469085.db2.gz AUJVAUQKPDSJPD-BDJLRTHQSA-N 1 0 316.430 3.051 10 0 DGAERO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2c1 ZINC000176751019 432549019 /nfs/dbraw/zinc/54/90/19/432549019.db2.gz ZWBNMRUHXLNBLD-OAHLLOKOSA-N 1 0 323.440 3.197 10 0 DGAERO C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000185951054 432549187 /nfs/dbraw/zinc/54/91/87/432549187.db2.gz RHOKMFLDOXKTBE-DZGCQCFKSA-N 1 0 306.425 3.330 10 0 DGAERO CCC[C@H](C(=O)NCCOc1ccccc1C(C)C)[NH+](C)C ZINC000155338335 432550451 /nfs/dbraw/zinc/55/04/51/432550451.db2.gz UHCFFDZTKJNVJT-MRXNPFEDSA-N 1 0 306.450 3.035 10 0 DGAERO CCC[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccnc1 ZINC000186151524 432563085 /nfs/dbraw/zinc/56/30/85/432563085.db2.gz BXTFECZFAUXCPS-ZDUSSCGKSA-N 1 0 312.339 3.465 10 0 DGAERO Cc1nn(C)c2ncc(C[N@H+](C)CCc3ccc(F)cc3)cc12 ZINC000193985172 432513653 /nfs/dbraw/zinc/51/36/53/432513653.db2.gz RUIOLNWGGAJNLI-UHFFFAOYSA-N 1 0 312.392 3.090 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc2[nH]ccc21 ZINC000176335772 432513737 /nfs/dbraw/zinc/51/37/37/432513737.db2.gz DYZCUGANKXBMIG-ZDUSSCGKSA-N 1 0 300.406 3.116 10 0 DGAERO C[C@@H]1COCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000194003650 432514822 /nfs/dbraw/zinc/51/48/22/432514822.db2.gz QPBBXUDDCOQDIY-CRAIPNDOSA-N 1 0 316.445 3.284 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000185637063 432519172 /nfs/dbraw/zinc/51/91/72/432519172.db2.gz BKAGTUUEUSYJNI-HNNXBMFYSA-N 1 0 300.402 3.153 10 0 DGAERO CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263174486 432524369 /nfs/dbraw/zinc/52/43/69/432524369.db2.gz GAUMPZGTDHOUSX-CJNGLKHVSA-N 1 0 312.816 3.345 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(C(F)F)cc1 ZINC000185689480 432524758 /nfs/dbraw/zinc/52/47/58/432524758.db2.gz VUWRWGFGGIIGPR-UHFFFAOYSA-N 1 0 313.392 3.106 10 0 DGAERO C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC1CCCCC1 ZINC000194120514 432526670 /nfs/dbraw/zinc/52/66/70/432526670.db2.gz LDQRMTQZTONSLY-CQSZACIVSA-N 1 0 320.399 3.299 10 0 DGAERO C[C@H]1CCC[N@@H+]1C1CCN(c2ncnc3sccc32)CC1 ZINC000154929777 432528136 /nfs/dbraw/zinc/52/81/36/432528136.db2.gz OJBVAEHSBODLPV-LBPRGKRZSA-N 1 0 302.447 3.144 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cccc(O)c1 ZINC000154956680 432529729 /nfs/dbraw/zinc/52/97/29/432529729.db2.gz WRSUPYBMUNQTRC-HNNXBMFYSA-N 1 0 313.397 3.204 10 0 DGAERO Cc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000154938911 432529748 /nfs/dbraw/zinc/52/97/48/432529748.db2.gz WWSIVYIRMAZETN-OAHLLOKOSA-N 1 0 307.413 3.376 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1OCC(F)F ZINC000155111168 432538258 /nfs/dbraw/zinc/53/82/58/432538258.db2.gz NIFBDGTVJCYBKT-NWDGAFQWSA-N 1 0 312.360 3.095 10 0 DGAERO CC1CC[NH+](CCCNC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194281250 432538994 /nfs/dbraw/zinc/53/89/94/432538994.db2.gz RZXADKXFAFABJM-UHFFFAOYSA-N 1 0 314.433 3.411 10 0 DGAERO COc1ccc(C[NH2+]C2CC(OC(C)C)C2)cc1OC(F)F ZINC000185852781 432539940 /nfs/dbraw/zinc/53/99/40/432539940.db2.gz NAGKSECBBYNZDO-UHFFFAOYSA-N 1 0 315.360 3.342 10 0 DGAERO CCCOc1ccccc1NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194322682 432540836 /nfs/dbraw/zinc/54/08/36/432540836.db2.gz YCYYJGHFIPJSNK-AWEZNQCLSA-N 1 0 305.422 3.081 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000194317545 432541314 /nfs/dbraw/zinc/54/13/14/432541314.db2.gz CZBAEQVEHVMSRY-CYBMUJFWSA-N 1 0 315.339 3.311 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2OC(C)C)C1 ZINC000194341724 432542447 /nfs/dbraw/zinc/54/24/47/432542447.db2.gz MIMOUNFMORRZRI-CQSZACIVSA-N 1 0 305.422 3.080 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194339617 432542783 /nfs/dbraw/zinc/54/27/83/432542783.db2.gz XNDIMMWZMZUQGL-CYBMUJFWSA-N 1 0 323.444 3.148 10 0 DGAERO C[C@@H](CC[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000194384309 432545882 /nfs/dbraw/zinc/54/58/82/432545882.db2.gz MDFOFVCYEFXPKY-PXNSSMCTSA-N 1 0 324.468 3.469 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccc(Cl)cc1 ZINC000177294003 432608888 /nfs/dbraw/zinc/60/88/88/432608888.db2.gz WJZHOWGFRACBGL-INIZCTEOSA-N 1 0 323.868 3.008 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000156871638 432609955 /nfs/dbraw/zinc/60/99/55/432609955.db2.gz UEFCWMWXECSOLZ-LSDHHAIUSA-N 1 0 321.440 3.178 10 0 DGAERO Fc1ccc([C@H]([NH2+][C@H]2CCc3ncnn3C2)c2ccccc2)cc1 ZINC000177310912 432611091 /nfs/dbraw/zinc/61/10/91/432611091.db2.gz QERVXUOQQDXKJP-PKOBYXMFSA-N 1 0 322.387 3.111 10 0 DGAERO CCCCOC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000195187409 432611152 /nfs/dbraw/zinc/61/11/52/432611152.db2.gz BWKMIJLBUXYVLW-KRWDZBQOSA-N 1 0 309.425 3.362 10 0 DGAERO CCCCOC[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000195187801 432611507 /nfs/dbraw/zinc/61/15/07/432611507.db2.gz ZAHYNMXLQBNBOF-MRXNPFEDSA-N 1 0 311.853 3.486 10 0 DGAERO Cc1cc(C)n([C@@H](C)C(=O)Nc2cc(C[NH+](C)C)ccc2C)n1 ZINC000177326331 432612187 /nfs/dbraw/zinc/61/21/87/432612187.db2.gz XBADMHPTTWKBHA-HNNXBMFYSA-N 1 0 314.433 3.070 10 0 DGAERO CC(C)(CC(N)=O)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000273566964 432612325 /nfs/dbraw/zinc/61/23/25/432612325.db2.gz XLKRGSSEICZBDH-UHFFFAOYSA-N 1 0 312.413 3.009 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186618700 432614706 /nfs/dbraw/zinc/61/47/06/432614706.db2.gz WBZLBUXDCJACIY-NRXISQOPSA-N 1 0 322.415 3.056 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C12CCOCC2 ZINC000186199224 432567895 /nfs/dbraw/zinc/56/78/95/432567895.db2.gz UQFWQZRHMBLWGW-SJORKVTESA-N 1 0 323.864 3.446 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC2)C12CCOCC2 ZINC000186229429 432571336 /nfs/dbraw/zinc/57/13/36/432571336.db2.gz DPYDTKLCDGNRFC-ROUUACIJSA-N 1 0 315.457 3.282 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155797115 432574640 /nfs/dbraw/zinc/57/46/40/432574640.db2.gz SUEHHIUJPBSNKL-TXEJJXNPSA-N 1 0 321.490 3.274 10 0 DGAERO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)s1 ZINC000177012596 432575247 /nfs/dbraw/zinc/57/52/47/432575247.db2.gz RGHMWPGCUPWJFH-SDDRHHMPSA-N 1 0 314.882 3.446 10 0 DGAERO CCc1noc(C)c1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000155790935 432575406 /nfs/dbraw/zinc/57/54/06/432575406.db2.gz TVMCRFZNCXOSFC-UHFFFAOYSA-N 1 0 322.453 3.131 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2ccccc2Cl)C12CCOCC2 ZINC000186294801 432578932 /nfs/dbraw/zinc/57/89/32/432578932.db2.gz ONUFEEKJFOWNNK-DLBZAZTESA-N 1 0 323.864 3.446 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C12CCOCC2 ZINC000186296575 432579225 /nfs/dbraw/zinc/57/92/25/432579225.db2.gz WOVLVHVANUUYHO-HZPDHXFCSA-N 1 0 311.372 3.029 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)C12CCOCC2 ZINC000186296556 432579898 /nfs/dbraw/zinc/57/98/98/432579898.db2.gz WOVLVHVANUUYHO-HOTGVXAUSA-N 1 0 311.372 3.029 10 0 DGAERO CCC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1cccnc1 ZINC000186293085 432579958 /nfs/dbraw/zinc/57/99/58/432579958.db2.gz DLHIMTPOFIBUEV-HZPDHXFCSA-N 1 0 313.449 3.242 10 0 DGAERO FC(F)(F)c1ccnc(SCc2cnc3ccccn23)n1 ZINC000155930529 432582591 /nfs/dbraw/zinc/58/25/91/432582591.db2.gz FLLBJFHNOGICBJ-UHFFFAOYSA-N 1 0 310.304 3.435 10 0 DGAERO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000194885012 432584497 /nfs/dbraw/zinc/58/44/97/432584497.db2.gz ZKWNIMUMMALEMK-LPHOPBHVSA-N 1 0 311.425 3.266 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)C2=CCCCCC2)ccc1F ZINC000186407234 432593335 /nfs/dbraw/zinc/59/33/35/432593335.db2.gz SCCSFZAQEUDZQB-UHFFFAOYSA-N 1 0 304.409 3.394 10 0 DGAERO CCO[C@H](C)c1nc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)cs1 ZINC000177184609 432595253 /nfs/dbraw/zinc/59/52/53/432595253.db2.gz KEEQCFHVZRELNP-VNQPRFMTSA-N 1 0 323.506 3.299 10 0 DGAERO COc1cccc([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000177208922 432597425 /nfs/dbraw/zinc/59/74/25/432597425.db2.gz MGGGZSWLAHLKMW-CQSZACIVSA-N 1 0 308.385 3.127 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000195063643 432599197 /nfs/dbraw/zinc/59/91/97/432599197.db2.gz ONRUHQJWOHWRTA-OAHLLOKOSA-N 1 0 311.429 3.095 10 0 DGAERO C[C@H](C1CC1)N(Cc1nnc(C2CC2)n1C)Cc1ccccc1 ZINC000195070813 432600963 /nfs/dbraw/zinc/60/09/63/432600963.db2.gz GXXNKUSVJDZQLT-CQSZACIVSA-N 1 0 310.445 3.493 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC000156708616 432603859 /nfs/dbraw/zinc/60/38/59/432603859.db2.gz WURKHKSRDZQVSH-DZKIICNBSA-N 1 0 319.424 3.073 10 0 DGAERO CCC[N@H+](Cc1nnc(C2CC2)n1C)[C@@H]1CCc2ccccc2C1 ZINC000195108058 432604335 /nfs/dbraw/zinc/60/43/35/432604335.db2.gz JMPZLBZHSSNERL-GOSISDBHSA-N 1 0 324.472 3.462 10 0 DGAERO CCC[N@H+](Cc1nnc(CC)n1C)[C@@H]1CCc2ccccc2C1 ZINC000195108089 432604773 /nfs/dbraw/zinc/60/47/73/432604773.db2.gz KLCTZUUFHVDXCC-QGZVFWFLSA-N 1 0 312.461 3.147 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)CCCc1ccccc1 ZINC000186665104 432619286 /nfs/dbraw/zinc/61/92/86/432619286.db2.gz DWGSEEWLCFITLH-WBVHZDCISA-N 1 0 302.462 3.150 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000186684970 432622288 /nfs/dbraw/zinc/62/22/88/432622288.db2.gz MWMYFPZAUOCXLB-OXJNMPFZSA-N 1 0 322.452 3.323 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2nc(C3CC3)cs2)CC1 ZINC000195425917 432623109 /nfs/dbraw/zinc/62/31/09/432623109.db2.gz UDYIVGBAWNFNFH-UHFFFAOYSA-N 1 0 322.478 3.264 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000177451003 432624760 /nfs/dbraw/zinc/62/47/60/432624760.db2.gz HEKMAKZHLNXKCA-ZWKOTPCHSA-N 1 0 302.462 3.307 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000177480760 432628645 /nfs/dbraw/zinc/62/86/45/432628645.db2.gz RSLLPARXEMAKDT-OKZBNKHCSA-N 1 0 314.473 3.486 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000177543976 432635337 /nfs/dbraw/zinc/63/53/37/432635337.db2.gz YZPVWASQXCFPOT-AEFFLSMTSA-N 1 0 317.477 3.224 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000186875992 432635708 /nfs/dbraw/zinc/63/57/08/432635708.db2.gz UXJCPQWKUQKFMT-DLBZAZTESA-N 1 0 313.445 3.434 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C(C)(F)F)c2)C1 ZINC000186967482 432640181 /nfs/dbraw/zinc/64/01/81/432640181.db2.gz WINRQOSGCFLFJB-AWEZNQCLSA-N 1 0 311.376 3.404 10 0 DGAERO CCn1c2ccc(F)cc2nc1CN(C)CC1([NH+](C)C)CCC1 ZINC000187004266 432641391 /nfs/dbraw/zinc/64/13/91/432641391.db2.gz OELABLKGGGFPEK-UHFFFAOYSA-N 1 0 318.440 3.111 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)c1cccc(F)c1 ZINC000158287819 432641527 /nfs/dbraw/zinc/64/15/27/432641527.db2.gz MGXWAKFGLOUPTN-INIZCTEOSA-N 1 0 308.441 3.196 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(OC(C)C)cc3)[C@H]2C1 ZINC000158367339 432643681 /nfs/dbraw/zinc/64/36/81/432643681.db2.gz KMQZPPZEQYAEFL-QYZOEREBSA-N 1 0 319.445 3.242 10 0 DGAERO C[C@@H]([NH2+]C1CCCC1)C(=O)Nc1cnc(Cl)cc1Cl ZINC000221283606 432668483 /nfs/dbraw/zinc/66/84/83/432668483.db2.gz HRDCPVZDYAVTJZ-MRVPVSSYSA-N 1 0 302.205 3.248 10 0 DGAERO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000159065529 432668677 /nfs/dbraw/zinc/66/86/77/432668677.db2.gz NFMDQBZUXFPVNW-MOPGFXCFSA-N 1 0 310.441 3.427 10 0 DGAERO Cc1ccc([C@@H]2CN(Cc3cnn(-c4ccccc4)c3)CCO2)o1 ZINC000159058314 432669380 /nfs/dbraw/zinc/66/93/80/432669380.db2.gz DLFVKBSYNGCKRU-IBGZPJMESA-N 1 0 323.396 3.347 10 0 DGAERO [NH3+]CC1(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000216437220 432651098 /nfs/dbraw/zinc/65/10/98/432651098.db2.gz GLYVPMFWCBSHPO-VXGBXAGGSA-N 1 0 306.372 3.133 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1cc(Cl)ccc1C ZINC000177705011 432652533 /nfs/dbraw/zinc/65/25/33/432652533.db2.gz QIPRQSOOMDJCCW-OAHLLOKOSA-N 1 0 323.868 3.003 10 0 DGAERO [NH3+]C[C@@H](CC1(C(F)(F)F)CC1)c1cnc(C(F)(F)F)nc1 ZINC000217375499 432654591 /nfs/dbraw/zinc/65/45/91/432654591.db2.gz SSQKDFHCWXWFST-SSDOTTSWSA-N 1 0 313.245 3.270 10 0 DGAERO Cc1cc(NC2CC[NH+](CC3CC3)CC2)nc(-c2ccccn2)n1 ZINC000264556459 432658894 /nfs/dbraw/zinc/65/88/94/432658894.db2.gz LVXMISBXHPLOKP-UHFFFAOYSA-N 1 0 323.444 3.133 10 0 DGAERO COc1c(C)cnc(C[N@H+](C)CC2(O)CCCCCC2)c1C ZINC000187353844 432659305 /nfs/dbraw/zinc/65/93/05/432659305.db2.gz NCSJLZHCEJFZMU-UHFFFAOYSA-N 1 0 306.450 3.224 10 0 DGAERO COC[C@H](C)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000187391154 432660591 /nfs/dbraw/zinc/66/05/91/432660591.db2.gz JNRQEASORRZWSD-DOMZBBRYSA-N 1 0 317.351 3.361 10 0 DGAERO CCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(OCC)cc2)CC1 ZINC000177829089 432666340 /nfs/dbraw/zinc/66/63/40/432666340.db2.gz DONPICUXYAZEJN-HNNXBMFYSA-N 1 0 318.461 3.468 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000177839656 432666433 /nfs/dbraw/zinc/66/64/33/432666433.db2.gz KAARRAFPAIEVJS-JKSUJKDBSA-N 1 0 303.450 3.039 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCOc1ccc(Cl)cc1)CC2 ZINC000220411025 432666504 /nfs/dbraw/zinc/66/65/04/432666504.db2.gz FKLBTUCLTLPIBK-WMLDXEAASA-N 1 0 309.837 3.346 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCOc1ccccc1Cl)CC2 ZINC000220385461 432666711 /nfs/dbraw/zinc/66/67/11/432666711.db2.gz UOVOXYOKVJRFHB-WMLDXEAASA-N 1 0 309.837 3.346 10 0 DGAERO C[C@@H]1CC[C@@](CO)(N(C)Cc2noc(C3CCCCC3)n2)C1 ZINC000187921646 432692817 /nfs/dbraw/zinc/69/28/17/432692817.db2.gz TWQLOXTVDVDLIF-CXAGYDPISA-N 1 0 307.438 3.100 10 0 DGAERO COCCC[C@H](C)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000178104839 432695105 /nfs/dbraw/zinc/69/51/05/432695105.db2.gz OAAHUZXSBZNUGF-INIZCTEOSA-N 1 0 321.461 3.287 10 0 DGAERO OCCC1(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000188069321 432701748 /nfs/dbraw/zinc/70/17/48/432701748.db2.gz ZHOKWHKZJQKDRR-QGZVFWFLSA-N 1 0 300.377 3.062 10 0 DGAERO COC[C@@H](C)C[NH2+]C(C)(C)COc1ncc(Cl)cc1Cl ZINC000188171076 432709455 /nfs/dbraw/zinc/70/94/55/432709455.db2.gz PHQQDSMUHOOLOX-JTQLQIEISA-N 1 0 321.248 3.418 10 0 DGAERO CCSCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227870423 432714918 /nfs/dbraw/zinc/71/49/18/432714918.db2.gz OCWRKGXDQIEPGX-CQSZACIVSA-N 1 0 316.511 3.366 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1CCOCC1 ZINC000188293772 432715452 /nfs/dbraw/zinc/71/54/52/432715452.db2.gz REBCHGXZAJGTPO-ROUUACIJSA-N 1 0 307.409 3.234 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000178323868 432720536 /nfs/dbraw/zinc/72/05/36/432720536.db2.gz YYKLJPQTIWWWGB-GOSISDBHSA-N 1 0 306.413 3.404 10 0 DGAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)s1 ZINC000178352922 432723718 /nfs/dbraw/zinc/72/37/18/432723718.db2.gz AVGFGGIQGZHUGS-JJMVLAAESA-N 1 0 302.443 3.323 10 0 DGAERO CCc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000159170855 432672242 /nfs/dbraw/zinc/67/22/42/432672242.db2.gz NQUYGJITBGCLNX-IUODEOHRSA-N 1 0 307.413 3.335 10 0 DGAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)C(C)C)CC2)cc1 ZINC000159146792 432672382 /nfs/dbraw/zinc/67/23/82/432672382.db2.gz IJVMUHJNLBEEAY-OAHLLOKOSA-N 1 0 318.461 3.324 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000223243901 432676431 /nfs/dbraw/zinc/67/64/31/432676431.db2.gz JMHXRSFKOJNNIW-UHFFFAOYSA-N 1 0 304.203 3.227 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000159237289 432676974 /nfs/dbraw/zinc/67/69/74/432676974.db2.gz CQIBYWXFZQNQHJ-CRAIPNDOSA-N 1 0 309.413 3.471 10 0 DGAERO Cc1cc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)c(C)s1 ZINC000178020241 432684467 /nfs/dbraw/zinc/68/44/67/432684467.db2.gz LZYFEFCWSKIVLM-CYBMUJFWSA-N 1 0 302.443 3.446 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1ccncc1 ZINC000224975366 432684949 /nfs/dbraw/zinc/68/49/49/432684949.db2.gz BMGBZVYOWGVXSX-CWRNSKLLSA-N 1 0 319.449 3.426 10 0 DGAERO COc1cc(CNC2CC[NH+](C3CCCCC3)CC2)ccc1O ZINC000178010167 432685263 /nfs/dbraw/zinc/68/52/63/432685263.db2.gz XSEQCMIWEHWRTL-UHFFFAOYSA-N 1 0 318.461 3.288 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000187812100 432685981 /nfs/dbraw/zinc/68/59/81/432685981.db2.gz RROKGVVXYFHNSW-WMLDXEAASA-N 1 0 310.869 3.144 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2)s1 ZINC000178024058 432686055 /nfs/dbraw/zinc/68/60/55/432686055.db2.gz JUOPUAZVMMIAOM-ZDUSSCGKSA-N 1 0 302.443 3.391 10 0 DGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1-n1cncn1 ZINC000178054033 432689351 /nfs/dbraw/zinc/68/93/51/432689351.db2.gz KSBUMTJGMSTFIG-JKSUJKDBSA-N 1 0 313.449 3.357 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1-n1cncn1 ZINC000178053987 432689385 /nfs/dbraw/zinc/68/93/85/432689385.db2.gz KSBUMTJGMSTFIG-CVEARBPZSA-N 1 0 313.449 3.357 10 0 DGAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187851904 432689590 /nfs/dbraw/zinc/68/95/90/432689590.db2.gz JJDVJSMFZHDQPH-HIFRSBDPSA-N 1 0 305.418 3.284 10 0 DGAERO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(C)cc1 ZINC000178049204 432689639 /nfs/dbraw/zinc/68/96/39/432689639.db2.gz DPZPJXICHZIABA-QGZVFWFLSA-N 1 0 307.401 3.212 10 0 DGAERO CCc1ccc([C@H](CC)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178052259 432689704 /nfs/dbraw/zinc/68/97/04/432689704.db2.gz HWPFXJQYLPWJNT-SFHVURJKSA-N 1 0 321.428 3.466 10 0 DGAERO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)s1 ZINC000187854237 432689902 /nfs/dbraw/zinc/68/99/02/432689902.db2.gz YWSJWGVRULCMFS-YPMHNXCESA-N 1 0 312.479 3.249 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000187875713 432690064 /nfs/dbraw/zinc/69/00/64/432690064.db2.gz MSRDMVGNXREVPY-NSHDSACASA-N 1 0 306.207 3.398 10 0 DGAERO COc1cc(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)ccc1SC ZINC000187895771 432691577 /nfs/dbraw/zinc/69/15/77/432691577.db2.gz AVVFBYFICNHXTO-GUYCJALGSA-N 1 0 309.475 3.400 10 0 DGAERO CCCc1nc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)cs1 ZINC000178512295 432747492 /nfs/dbraw/zinc/74/74/92/432747492.db2.gz PMVQIGGMBPZZKY-LBPRGKRZSA-N 1 0 310.463 3.259 10 0 DGAERO CC(C)COC1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000188853126 432748820 /nfs/dbraw/zinc/74/88/20/432748820.db2.gz WJXNVEXFDLOQIO-UHFFFAOYSA-N 1 0 315.351 3.040 10 0 DGAERO CC(C)(C)c1ccc(CCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000236581633 432749935 /nfs/dbraw/zinc/74/99/35/432749935.db2.gz QOQLBPBCJLGCLC-WBVHZDCISA-N 1 0 302.462 3.160 10 0 DGAERO c1coc([C@@H](C[NH2+]Cc2ccc3c[nH]nc3c2)N2CCCC2)c1 ZINC000236667387 432755305 /nfs/dbraw/zinc/75/53/05/432755305.db2.gz VSWSDPXLIZQGLD-QGZVFWFLSA-N 1 0 310.401 3.083 10 0 DGAERO C[N@H+](Cc1c(Cl)cccc1N1CCCC1)CC1(CO)CC1 ZINC000188953535 432755464 /nfs/dbraw/zinc/75/54/64/432755464.db2.gz JVEAKNNQVMBKAW-UHFFFAOYSA-N 1 0 308.853 3.145 10 0 DGAERO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c1 ZINC000189028515 432758458 /nfs/dbraw/zinc/75/84/58/432758458.db2.gz RACUHOSBGLFLQA-LJQANCHMSA-N 1 0 321.424 3.078 10 0 DGAERO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccs1 ZINC000178616283 432758904 /nfs/dbraw/zinc/75/89/04/432758904.db2.gz AGKVTZNKFIVDEW-IYXRBSQSSA-N 1 0 309.479 3.229 10 0 DGAERO CCC(CC)c1cc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000236728294 432760930 /nfs/dbraw/zinc/76/09/30/432760930.db2.gz WBXCLIIFUJCVRI-QRTARXTBSA-N 1 0 319.449 3.115 10 0 DGAERO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236742608 432762518 /nfs/dbraw/zinc/76/25/18/432762518.db2.gz LKXDPLXFBAIBSX-RDJZCZTQSA-N 1 0 306.425 3.472 10 0 DGAERO COc1ccc(F)cc1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000189211110 432769815 /nfs/dbraw/zinc/76/98/15/432769815.db2.gz JSCWNPIIRBQOKF-ZDUSSCGKSA-N 1 0 316.376 3.341 10 0 DGAERO c1ccc(C2CCC(C[N@@H+]3CCO[C@]4(CCOC4)C3)CC2)cc1 ZINC000189220877 432771455 /nfs/dbraw/zinc/77/14/55/432771455.db2.gz VWRICZVWWHNBNP-LYBXBRPPSA-N 1 0 315.457 3.452 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]CCOC(F)(F)F)C(C)C ZINC000189225530 432771812 /nfs/dbraw/zinc/77/18/12/432771812.db2.gz PYLLUHVYNLWSCW-CYBMUJFWSA-N 1 0 305.340 3.388 10 0 DGAERO CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@H](OC)C1)c1ccccc1 ZINC000189324257 432777054 /nfs/dbraw/zinc/77/70/54/432777054.db2.gz DRQUCYOZBMLYKC-RYQLBKOJSA-N 1 0 318.461 3.001 10 0 DGAERO COC[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C1CCOCC1 ZINC000188491399 432728275 /nfs/dbraw/zinc/72/82/75/432728275.db2.gz YVOMDFLYJDFMMX-OAHLLOKOSA-N 1 0 301.789 3.010 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)cc1NC(C)=O ZINC000178434436 432734812 /nfs/dbraw/zinc/73/48/12/432734812.db2.gz AQZUFISROBHWRH-WFASDCNBSA-N 1 0 322.449 3.101 10 0 DGAERO CC(C)[C@@H]([NH3+])CCN(C)c1ncc(Br)cc1Cl ZINC000232698313 432736761 /nfs/dbraw/zinc/73/67/61/432736761.db2.gz SLPHCCXADBFZGR-NSHDSACASA-N 1 0 320.662 3.307 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000178443909 432736792 /nfs/dbraw/zinc/73/67/92/432736792.db2.gz LKYKVHJJNPPSAI-RBUKOAKNSA-N 1 0 311.425 3.340 10 0 DGAERO CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)s1 ZINC000178443795 432736833 /nfs/dbraw/zinc/73/68/33/432736833.db2.gz OBOQFILAFDFDRE-BXUZGUMPSA-N 1 0 320.458 3.407 10 0 DGAERO CC[C@@H](CO)[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000188674602 432738898 /nfs/dbraw/zinc/73/88/98/432738898.db2.gz FQAFLZSONPUJNH-AAEUAGOBSA-N 1 0 314.223 3.023 10 0 DGAERO COc1ccc(CC[NH2+][C@H](C)c2cn(C)nc2C)c(Cl)c1 ZINC000178473064 432741527 /nfs/dbraw/zinc/74/15/27/432741527.db2.gz SZDRYEJAXBLFFW-LLVKDONJSA-N 1 0 307.825 3.284 10 0 DGAERO CC(C)[C@H](C)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188772798 432744906 /nfs/dbraw/zinc/74/49/06/432744906.db2.gz VCGRXPDNTYPALR-ZDUSSCGKSA-N 1 0 308.853 3.106 10 0 DGAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cccc2cc[nH]c21)C1CC1 ZINC000275737738 432746074 /nfs/dbraw/zinc/74/60/74/432746074.db2.gz PMNQYJJSWZUNTN-SFHVURJKSA-N 1 0 311.429 3.143 10 0 DGAERO COC[C@H](C)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000189752275 432816467 /nfs/dbraw/zinc/81/64/67/432816467.db2.gz DCGRVNCBFMUYSJ-OAHLLOKOSA-N 1 0 301.434 3.224 10 0 DGAERO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000189737815 432816565 /nfs/dbraw/zinc/81/65/65/432816565.db2.gz LMNRKPWFSAPSTC-MRXNPFEDSA-N 1 0 315.417 3.133 10 0 DGAERO CCC[C@H](C(=O)NCC[C@H](C)c1ccc(OC)cc1)[NH+](C)C ZINC000162281125 432818528 /nfs/dbraw/zinc/81/85/28/432818528.db2.gz NRLZTMIFHJNMBI-WMLDXEAASA-N 1 0 306.450 3.035 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000267252400 432826269 /nfs/dbraw/zinc/82/62/69/432826269.db2.gz LLSUXBNJVQKKHH-WYMLVPIESA-N 1 0 304.409 3.029 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](SC)c1ccccc1 ZINC000245439236 432830450 /nfs/dbraw/zinc/83/04/50/432830450.db2.gz ZGCXOPSBZJQSHT-CVEARBPZSA-N 1 0 306.475 3.033 10 0 DGAERO CCc1ccccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000245439660 432830731 /nfs/dbraw/zinc/83/07/31/432830731.db2.gz ZYJVUYQRIMEIDS-HZPDHXFCSA-N 1 0 301.434 3.340 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000245469064 432835421 /nfs/dbraw/zinc/83/54/21/432835421.db2.gz LKPADUYLOIZXTM-AEFFLSMTSA-N 1 0 315.461 3.190 10 0 DGAERO CCOCC[N@@H+]1CCN([C@@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC000245470077 432836248 /nfs/dbraw/zinc/83/62/48/432836248.db2.gz MMDSOMBZGFFSBE-CABCVRRESA-N 1 0 323.481 3.076 10 0 DGAERO COc1ccccc1OCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245499598 432837627 /nfs/dbraw/zinc/83/76/27/432837627.db2.gz YKVKNUNOHACWBV-SJORKVTESA-N 1 0 318.461 3.021 10 0 DGAERO CSCCCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161511547 432783440 /nfs/dbraw/zinc/78/34/40/432783440.db2.gz OXZQSTKDZUWZEQ-UHFFFAOYSA-N 1 0 312.523 3.289 10 0 DGAERO CC(=O)NC1CCC([NH2+]C[C@H](C)c2ccc(F)cc2F)CC1 ZINC000161576786 432786503 /nfs/dbraw/zinc/78/65/03/432786503.db2.gz SWTLLMSSDXLFKL-QGLTVNCISA-N 1 0 310.388 3.105 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC2CC(OC(C)C)C2)CC1 ZINC000189474588 432790324 /nfs/dbraw/zinc/79/03/24/432790324.db2.gz XKRLKXTZVXYYPN-UHFFFAOYSA-N 1 0 317.477 3.196 10 0 DGAERO O=C1NCC[C@H]1[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000178990728 432793881 /nfs/dbraw/zinc/79/38/81/432793881.db2.gz RNQYZPCBDGLNLX-RBUKOAKNSA-N 1 0 308.425 3.229 10 0 DGAERO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000189512915 432794170 /nfs/dbraw/zinc/79/41/70/432794170.db2.gz VNWOAPPFQQRVIR-CHWSQXEVSA-N 1 0 307.419 3.484 10 0 DGAERO C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@H]1c1ccccc1 ZINC000237644386 432795134 /nfs/dbraw/zinc/79/51/34/432795134.db2.gz IZABRPKHBIDENO-HNAYVOBHSA-N 1 0 308.425 3.411 10 0 DGAERO COc1cccc(C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@@H]2O)C2CC2)c1 ZINC000179024059 432796062 /nfs/dbraw/zinc/79/60/62/432796062.db2.gz COAQTKBUGLXEBF-HBMCJLEFSA-N 1 0 323.436 3.264 10 0 DGAERO NC(=O)N1CCC([NH2+][C@@H](CC2CCCC2)c2ccccc2)CC1 ZINC000179023976 432796851 /nfs/dbraw/zinc/79/68/51/432796851.db2.gz KVZBAHMFACZDOB-SFHVURJKSA-N 1 0 315.461 3.441 10 0 DGAERO C[N@H+](CCCCCOc1ccccc1)CC(=O)NC(C)(C)C ZINC000189581806 432801139 /nfs/dbraw/zinc/80/11/39/432801139.db2.gz DXWPFVIUFSNTQT-UHFFFAOYSA-N 1 0 306.450 3.082 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000237968722 432806696 /nfs/dbraw/zinc/80/66/96/432806696.db2.gz LRRQQDXPFILTBK-WCQYABFASA-N 1 0 315.348 3.079 10 0 DGAERO COC[C@H](C)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000189728304 432814355 /nfs/dbraw/zinc/81/43/55/432814355.db2.gz FMAMWYDQLFHUNJ-TURNYIBQSA-N 1 0 318.244 3.166 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)O1 ZINC000189722151 432814501 /nfs/dbraw/zinc/81/45/01/432814501.db2.gz XQLULEOOCKHASP-QZTJIDSGSA-N 1 0 319.445 3.292 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)c(SC)c1 ZINC000245744892 432860018 /nfs/dbraw/zinc/86/00/18/432860018.db2.gz MPNWCEABOGSZBT-KGLIPLIRSA-N 1 0 322.449 3.246 10 0 DGAERO Cc1n[nH]cc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245738251 432860083 /nfs/dbraw/zinc/86/00/83/432860083.db2.gz LFZOMICZQTUDST-HNAYVOBHSA-N 1 0 312.461 3.203 10 0 DGAERO Cc1ccc(-c2ncc(CN3CC[N@@H+]4CCC[C@H]4C3)s2)cc1 ZINC000245784970 432863476 /nfs/dbraw/zinc/86/34/76/432863476.db2.gz VAPSQCRTOLABCB-INIZCTEOSA-N 1 0 313.470 3.399 10 0 DGAERO CCOc1c(Cl)cc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000245803387 432863717 /nfs/dbraw/zinc/86/37/17/432863717.db2.gz YETDAVDZCHFULC-AWEZNQCLSA-N 1 0 324.852 3.027 10 0 DGAERO COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000245813737 432863744 /nfs/dbraw/zinc/86/37/44/432863744.db2.gz CUVRWEZHSDYFHM-HOTGVXAUSA-N 1 0 313.445 3.444 10 0 DGAERO COc1ccc2oc(CN3C[C@@H]4CCC[N@@H+]4C[C@H]3C)cc2c1 ZINC000245814173 432863771 /nfs/dbraw/zinc/86/37/71/432863771.db2.gz ZWSYSJCRJHFCOB-HIFRSBDPSA-N 1 0 300.402 3.110 10 0 DGAERO Fc1cc(-c2ccncc2)ccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245814194 432864333 /nfs/dbraw/zinc/86/43/33/432864333.db2.gz ZXUWSIPSPFDJEE-SFHVURJKSA-N 1 0 311.404 3.168 10 0 DGAERO CC(C)[C@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245863185 432866288 /nfs/dbraw/zinc/86/62/88/432866288.db2.gz SCUXHPLROXYSAW-ROUUACIJSA-N 1 0 300.446 3.123 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cccc2nccn21)c1ccco1 ZINC000245861173 432866404 /nfs/dbraw/zinc/86/64/04/432866404.db2.gz OTSFUZQBSNEKON-GOEBONIOSA-N 1 0 311.385 3.015 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000245937876 432871403 /nfs/dbraw/zinc/87/14/03/432871403.db2.gz SEGBWGJAXGKZJU-MGPQQGTHSA-N 1 0 308.853 3.070 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2COC)[C@@H](C)C1 ZINC000245957837 432872532 /nfs/dbraw/zinc/87/25/32/432872532.db2.gz CHOVMRXPVLWGMC-WMLDXEAASA-N 1 0 319.449 3.027 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000245955645 432872787 /nfs/dbraw/zinc/87/27/87/432872787.db2.gz XEWGSYPVSDFQCN-MORSLUCNSA-N 1 0 321.509 3.397 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000245976079 432873652 /nfs/dbraw/zinc/87/36/52/432873652.db2.gz GGCDWNBGNRLJBR-BBRMVZONSA-N 1 0 308.853 3.451 10 0 DGAERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000246006886 432874409 /nfs/dbraw/zinc/87/44/09/432874409.db2.gz GFRWMZGCVCCFFY-LSDHHAIUSA-N 1 0 322.399 3.059 10 0 DGAERO C[C@H](OC1CCCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246011785 432874768 /nfs/dbraw/zinc/87/47/68/432874768.db2.gz LIMNYVRNGJZGPR-JYJNAYRXSA-N 1 0 310.482 3.055 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000277947879 432879279 /nfs/dbraw/zinc/87/92/79/432879279.db2.gz RHPFRZAYOWCGIH-RNCFNFMXSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000245579647 432847904 /nfs/dbraw/zinc/84/79/04/432847904.db2.gz GQQHOMPDMAUAIR-IGNZVWTISA-N 1 0 317.383 3.456 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000163268218 432848141 /nfs/dbraw/zinc/84/81/41/432848141.db2.gz BUARILSOBNRFQV-GDBMZVCRSA-N 1 0 324.465 3.063 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)c(OC)c(C)c1 ZINC000245585086 432848188 /nfs/dbraw/zinc/84/81/88/432848188.db2.gz JANNKMSBTKRHFD-SJORKVTESA-N 1 0 316.445 3.011 10 0 DGAERO CCN1CC[C@H]([NH2+]Cc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245603145 432848502 /nfs/dbraw/zinc/84/85/02/432848502.db2.gz PSXXHIRNUYWCMR-GOEBONIOSA-N 1 0 322.815 3.127 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@H]3CCC[C@H](C)C3)CC2)nn1 ZINC000245606712 432849512 /nfs/dbraw/zinc/84/95/12/432849512.db2.gz MPROOJJTRDZXSE-RDJZCZTQSA-N 1 0 302.466 3.123 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ccccn1 ZINC000245626371 432851648 /nfs/dbraw/zinc/85/16/48/432851648.db2.gz YLSGVYRQLOPZPU-IGNZVWTISA-N 1 0 317.383 3.456 10 0 DGAERO CN1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c2ccccc21 ZINC000245654692 432853238 /nfs/dbraw/zinc/85/32/38/432853238.db2.gz CURJKNIMFYOWPN-IWKCEXAMSA-N 1 0 314.473 3.403 10 0 DGAERO COc1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)cc2c1 ZINC000245659689 432854002 /nfs/dbraw/zinc/85/40/02/432854002.db2.gz HFEGRSBSTFCEPJ-JZXOWHBKSA-N 1 0 301.386 3.489 10 0 DGAERO CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245677911 432855153 /nfs/dbraw/zinc/85/51/53/432855153.db2.gz UKLMTJRAJGSGOU-RTBURBONSA-N 1 0 323.440 3.273 10 0 DGAERO CCCOc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000245684789 432855862 /nfs/dbraw/zinc/85/58/62/432855862.db2.gz AJMSENPUIJIXPO-DOTOQJQBSA-N 1 0 320.477 3.399 10 0 DGAERO CCCOc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1OCC ZINC000245690838 432856715 /nfs/dbraw/zinc/85/67/15/432856715.db2.gz BJLIPYRJCKEGMB-KRWDZBQOSA-N 1 0 318.461 3.154 10 0 DGAERO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(Cl)c1OC ZINC000245711025 432858414 /nfs/dbraw/zinc/85/84/14/432858414.db2.gz GAUKMRSDKGDWJS-OCCSQVGLSA-N 1 0 324.852 3.026 10 0 DGAERO c1cc(-c2nc(C[C@H]3CCCO3)no2)ccc1C[NH+]1CCCC1 ZINC000349828789 433017426 /nfs/dbraw/zinc/01/74/26/433017426.db2.gz RYMHFKQUUPPQJN-MRXNPFEDSA-N 1 0 313.401 3.054 10 0 DGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCC(C)(C)c1ccccc1 ZINC000155243933 292702498 /nfs/dbraw/zinc/70/24/98/292702498.db2.gz ICXGWBKBTCKGKP-HOTGVXAUSA-N 1 0 302.462 3.295 10 0 DGAERO O=C(Nc1ccc2[nH]ccc2c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333170946 433036945 /nfs/dbraw/zinc/03/69/45/433036945.db2.gz PTQINSUHYCHWQM-MRXNPFEDSA-N 1 0 312.417 3.164 10 0 DGAERO O=C(Nc1ccc2c3c(cccc31)CC2)N[C@@H]1CCCC[NH2+]C1 ZINC000333198155 433039750 /nfs/dbraw/zinc/03/97/50/433039750.db2.gz WVEXOTRBDGIPKK-OAHLLOKOSA-N 1 0 309.413 3.202 10 0 DGAERO O=C(Nc1ccc2cnccc2c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333386343 433051385 /nfs/dbraw/zinc/05/13/85/433051385.db2.gz WUTNZABGLVLKDJ-SJORKVTESA-N 1 0 324.428 3.088 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000156280376 292727549 /nfs/dbraw/zinc/72/75/49/292727549.db2.gz KAMHBVOIGRJKMM-QWHCGFSZSA-N 1 0 311.495 3.017 10 0 DGAERO Brc1cccc2c1OCC[C@H]2[NH2+]C1CCOCC1 ZINC000361269637 433074232 /nfs/dbraw/zinc/07/42/32/433074232.db2.gz XWMDGYWRAMPICD-CYBMUJFWSA-N 1 0 312.207 3.041 10 0 DGAERO C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCC2)[C@@H](c2ccco2)C1 ZINC000446618465 433075901 /nfs/dbraw/zinc/07/59/01/433075901.db2.gz VUFSNTQLLVWQOC-HUUCEWRRSA-N 1 0 319.449 3.247 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C(C)C ZINC000157222473 292741601 /nfs/dbraw/zinc/74/16/01/292741601.db2.gz XILDGKQVEOMFAY-UXLLHSPISA-N 1 0 305.466 3.219 10 0 DGAERO C[C@@H](NC(=O)Nc1cccc2c1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000333944727 433131468 /nfs/dbraw/zinc/13/14/68/433131468.db2.gz SGEIWRAHCMXGLZ-UKRRQHHQSA-N 1 0 301.434 3.075 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@H](COCc2ccccc2)C(C)C)[nH]n1 ZINC000446937461 433132956 /nfs/dbraw/zinc/13/29/56/433132956.db2.gz DJJSJMPNWRHXLF-DNVCBOLYSA-N 1 0 315.461 3.480 10 0 DGAERO c1c(C2CC2)[nH]nc1N1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361394055 433146438 /nfs/dbraw/zinc/14/64/38/433146438.db2.gz CTSYQMKOVJFXQH-ZWKOTPCHSA-N 1 0 322.456 3.213 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000447161538 433169977 /nfs/dbraw/zinc/16/99/77/433169977.db2.gz ZSTPFZWVIHELBX-JTQLQIEISA-N 1 0 304.217 3.277 10 0 DGAERO c1ccc(OCCCC[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000361444705 433173860 /nfs/dbraw/zinc/17/38/60/433173860.db2.gz VEMGRGYUWIFPAR-IBGZPJMESA-N 1 0 319.445 3.116 10 0 DGAERO CC(C)C1CCC([NH+]2CCN([C@H]3CCO[C@@H](C)C3)CC2)CC1 ZINC000335385080 433174533 /nfs/dbraw/zinc/17/45/33/433174533.db2.gz BYWXAKOUNKUDTD-RGVPCPSESA-N 1 0 308.510 3.386 10 0 DGAERO COCC[C@H](COC)[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000336676149 433174697 /nfs/dbraw/zinc/17/46/97/433174697.db2.gz CGUUVAMAQOJFAE-GXSJLCMTSA-N 1 0 322.268 3.213 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000361456008 433181783 /nfs/dbraw/zinc/18/17/83/433181783.db2.gz HFIIUECUOKBNCX-GDAAHCPNSA-N 1 0 302.462 3.197 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000420378709 433187498 /nfs/dbraw/zinc/18/74/98/433187498.db2.gz QNWDPYVILADTRI-FQEVSTJZSA-N 1 0 314.473 3.390 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C2CCCC2)CC1 ZINC000157797413 292752804 /nfs/dbraw/zinc/75/28/04/292752804.db2.gz RNSMSHKLCDXKMW-SFHVURJKSA-N 1 0 321.509 3.473 10 0 DGAERO Brc1ccc([C@H]2C[C@H]([NH2+][C@H]3CCCOC3)C2)cc1 ZINC000291154979 433225800 /nfs/dbraw/zinc/22/58/00/433225800.db2.gz IPWICGUHEKLOTQ-QEJZJMRPSA-N 1 0 310.235 3.464 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)cn2)nc1 ZINC000425420214 433232555 /nfs/dbraw/zinc/23/25/55/433232555.db2.gz MEEWZHNNDITHBF-MSOLQXFVSA-N 1 0 323.440 3.392 10 0 DGAERO C[C@@H](CC[NH+](C)C)NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000361649876 433316077 /nfs/dbraw/zinc/31/60/77/433316077.db2.gz INSBSWAJWBWWBL-LBPRGKRZSA-N 1 0 316.367 3.094 10 0 DGAERO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000374801696 433277900 /nfs/dbraw/zinc/27/79/00/433277900.db2.gz SSCCJWUOJYZCTH-HNNXBMFYSA-N 1 0 316.449 3.128 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCC(=O)NC1CC1 ZINC000338144405 433279640 /nfs/dbraw/zinc/27/96/40/433279640.db2.gz VKQPALJGZQXKMT-ACCUITESSA-N 1 0 306.837 3.392 10 0 DGAERO c1[nH+]cn2ccc(-c3noc([C@H]4COc5ccccc5C4)n3)cc12 ZINC000351089813 433371522 /nfs/dbraw/zinc/37/15/22/433371522.db2.gz OPZPDTIHYAGBSQ-CQSZACIVSA-N 1 0 318.336 3.103 10 0 DGAERO C[C@H]1CCC[C@@](CNc2ccc(S(C)(=O)=O)cc2)([NH+](C)C)C1 ZINC000301107073 433418771 /nfs/dbraw/zinc/41/87/71/433418771.db2.gz UOWOCAJVLNDVHZ-WMLDXEAASA-N 1 0 324.490 3.013 10 0 DGAERO CCCCc1noc([C@@H](C)N2CCC(c3c[nH]nc3C)CC2)n1 ZINC000375333388 433435011 /nfs/dbraw/zinc/43/50/11/433435011.db2.gz GRPPWXIQVOIHLQ-CYBMUJFWSA-N 1 0 317.437 3.384 10 0 DGAERO Brc1cccc2c1OCC[C@H]2[NH2+]CC1=CCCOC1 ZINC000281961306 433446083 /nfs/dbraw/zinc/44/60/83/433446083.db2.gz JINTZWSKLPOKFH-CQSZACIVSA-N 1 0 324.218 3.209 10 0 DGAERO COc1c(C)cnc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1C ZINC000375387483 433448618 /nfs/dbraw/zinc/44/86/18/433448618.db2.gz BRMQRQPCFCCMRW-UHFFFAOYSA-N 1 0 314.433 3.118 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)n1 ZINC000361928115 433452282 /nfs/dbraw/zinc/45/22/82/433452282.db2.gz VDSKQDIEHWLOSH-OAHLLOKOSA-N 1 0 322.412 3.169 10 0 DGAERO O=C(CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)c1ccccc1 ZINC000375422824 433457769 /nfs/dbraw/zinc/45/77/69/433457769.db2.gz BSXKBRSKHORKHH-HNNXBMFYSA-N 1 0 311.385 3.009 10 0 DGAERO CCOCCC[N@@H+]1CCC[C@@]1(Cc1ccccc1)C(=O)OCC ZINC000361930576 433458796 /nfs/dbraw/zinc/45/87/96/433458796.db2.gz QRHFEAGMBSECGR-LJQANCHMSA-N 1 0 319.445 3.053 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000249088036 290056443 /nfs/dbraw/zinc/05/64/43/290056443.db2.gz SJVNDUOFJCYGNI-CQDKDKBSSA-N 1 0 324.852 3.063 10 0 DGAERO CN1CC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c2ccccc21 ZINC000248823892 290129107 /nfs/dbraw/zinc/12/91/07/290129107.db2.gz ZCVIXNRVYBKPEN-QNDJGXFYSA-N 1 0 312.457 3.157 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCC[S@](C)=O ZINC000342097394 433464599 /nfs/dbraw/zinc/46/45/99/433464599.db2.gz HDQSBRFYJKSATE-ZRFOIIEFSA-N 1 0 319.392 3.467 10 0 DGAERO Brc1cccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000355114474 433474016 /nfs/dbraw/zinc/47/40/16/433474016.db2.gz PERKYAGUEQVGKI-HIFRSBDPSA-N 1 0 310.235 3.450 10 0 DGAERO CC(C)CC[NH+]1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000301344655 433515119 /nfs/dbraw/zinc/51/51/19/433515119.db2.gz GUIDUOOBBGIFSA-UHFFFAOYSA-N 1 0 316.474 3.373 10 0 DGAERO c1cc(N2CCCC2)ncc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421378082 433523073 /nfs/dbraw/zinc/52/30/73/433523073.db2.gz KEHFKTSRMVPGSS-INIZCTEOSA-N 1 0 317.502 3.305 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c2c(c1)OCCCO2 ZINC000355205781 433536820 /nfs/dbraw/zinc/53/68/20/433536820.db2.gz JUAXQYRHRKGLDY-NVXWUHKLSA-N 1 0 317.429 3.096 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC4(C3)CCCCC4)[C@H]2C1 ZINC000421351577 433493239 /nfs/dbraw/zinc/49/32/39/433493239.db2.gz CGIVWMSJCHJURZ-SZMVWBNQSA-N 1 0 304.478 3.336 10 0 DGAERO C[C@H]1CCC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000190957289 290473466 /nfs/dbraw/zinc/47/34/66/290473466.db2.gz IEBJMOQGVIMHSP-JKSUJKDBSA-N 1 0 307.482 3.225 10 0 DGAERO CCCn1cc(C[NH2+][C@H](C)CCOCc2ccccc2)cn1 ZINC000342248376 433564734 /nfs/dbraw/zinc/56/47/34/433564734.db2.gz NXSOGMDAJZMBFC-MRXNPFEDSA-N 1 0 301.434 3.378 10 0 DGAERO c1ccc(OCc2ccncc2)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421398072 433542426 /nfs/dbraw/zinc/54/24/26/433542426.db2.gz NMAQUZNNMZKSMK-LJQANCHMSA-N 1 0 310.397 3.025 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000339508458 433629017 /nfs/dbraw/zinc/62/90/17/433629017.db2.gz IHOUEHZFNOVJKL-UHFFFAOYSA-N 1 0 319.412 3.076 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000362284517 433621246 /nfs/dbraw/zinc/62/12/46/433621246.db2.gz ZTIJXFCTPWWUJS-BBRMVZONSA-N 1 0 324.852 3.098 10 0 DGAERO Cc1nocc1CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000293212958 433658400 /nfs/dbraw/zinc/65/84/00/433658400.db2.gz JMPMGFZWKWSAHS-GOSISDBHSA-N 1 0 313.445 3.373 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)O1 ZINC000414517597 433682383 /nfs/dbraw/zinc/68/23/83/433682383.db2.gz QUMNQKLRAYSCAN-FOGDFJRCSA-N 1 0 316.214 3.491 10 0 DGAERO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc[nH]c2C2CC2)n1 ZINC000366952922 293007483 /nfs/dbraw/zinc/00/74/83/293007483.db2.gz REBREPYCRRKYNB-HNNXBMFYSA-N 1 0 324.428 3.312 10 0 DGAERO CN(C)c1ccccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000367027999 293014605 /nfs/dbraw/zinc/01/46/05/293014605.db2.gz UPACIURYSNHAES-HNNXBMFYSA-N 1 0 312.417 3.003 10 0 DGAERO COc1cccc(C[NH+]2CCC(C3CCOCC3)CC2)c1F ZINC000367094634 293025874 /nfs/dbraw/zinc/02/58/74/293025874.db2.gz ZENHTFRTNSTHFP-UHFFFAOYSA-N 1 0 307.409 3.473 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2ccc3occc3c2)n1 ZINC000367300015 293050197 /nfs/dbraw/zinc/05/01/97/293050197.db2.gz LKCIGVWGEVSGHC-KRWDZBQOSA-N 1 0 310.401 3.306 10 0 DGAERO O=C(C[N@@H+]1CC[C@@]2(C1)CCCOC2)Nc1cccc2ccccc21 ZINC000367447199 293074133 /nfs/dbraw/zinc/07/41/33/293074133.db2.gz JWBSUQSJVLMJEJ-HXUWFJFHSA-N 1 0 324.424 3.281 10 0 DGAERO COc1cc(C[N@@H+]2CCSC[C@H]2CCO)cc2ccccc21 ZINC000449044230 433701552 /nfs/dbraw/zinc/70/15/52/433701552.db2.gz CLKWWUNWTCKQAB-MRXNPFEDSA-N 1 0 317.454 3.148 10 0 DGAERO CC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)cn1 ZINC000370664987 293183205 /nfs/dbraw/zinc/18/32/05/293183205.db2.gz MFMCFBDPMBQHCJ-ROUUACIJSA-N 1 0 309.413 3.466 10 0 DGAERO c1c2cccnc2oc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000449064456 433721722 /nfs/dbraw/zinc/72/17/22/433721722.db2.gz PVAWQUGIXWEJTL-QGZVFWFLSA-N 1 0 307.397 3.192 10 0 DGAERO CC(=O)CC[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000374022545 293343579 /nfs/dbraw/zinc/34/35/79/293343579.db2.gz RTXWQCJMYGLFDA-INIZCTEOSA-N 1 0 324.465 3.077 10 0 DGAERO c1cc2c(cccc2CC[NH2+]Cc2c[nH]nc2-c2cccnc2)[nH]1 ZINC000374302119 293380776 /nfs/dbraw/zinc/38/07/76/293380776.db2.gz LWQQQZLVWKZRRV-UHFFFAOYSA-N 1 0 317.396 3.285 10 0 DGAERO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000414552371 433717360 /nfs/dbraw/zinc/71/73/60/433717360.db2.gz PYXJDUYOOYKHOV-INIZCTEOSA-N 1 0 324.827 3.456 10 0 DGAERO c1coc([C@@H](C[NH2+]Cc2cc3cccnc3o2)N2CCCC2)c1 ZINC000449061853 433719632 /nfs/dbraw/zinc/71/96/32/433719632.db2.gz HUSAPFHDYPAHPB-MRXNPFEDSA-N 1 0 311.385 3.348 10 0 DGAERO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)N(CC)CC)o1 ZINC000362454085 433727700 /nfs/dbraw/zinc/72/77/00/433727700.db2.gz YTDIEOGFTLXVLA-GDBMZVCRSA-N 1 0 306.450 3.483 10 0 DGAERO CC(=O)c1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000293404308 433727676 /nfs/dbraw/zinc/72/76/76/433727676.db2.gz MSJACKZGWYNEEZ-HNNXBMFYSA-N 1 0 320.458 3.041 10 0 DGAERO CC(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cs1 ZINC000293451847 433745446 /nfs/dbraw/zinc/74/54/46/433745446.db2.gz PTJCWQZIYTVZMV-CABCVRRESA-N 1 0 320.458 3.038 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)[C@@H](C)O ZINC000449542391 433751934 /nfs/dbraw/zinc/75/19/34/433751934.db2.gz MKDJLSKJZMJXLC-GMXABZIVSA-N 1 0 312.251 3.055 10 0 DGAERO c1ccc(COc2ccnc(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)n2)cc1 ZINC000301891258 433779357 /nfs/dbraw/zinc/77/93/57/433779357.db2.gz UTVSDSMQOVLEOQ-SJORKVTESA-N 1 0 324.428 3.094 10 0 DGAERO Cc1ccnc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000301894126 433784365 /nfs/dbraw/zinc/78/43/65/433784365.db2.gz WVCKCFLLWRZKHM-CABCVRRESA-N 1 0 302.809 3.296 10 0 DGAERO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cnn3ccccc23)c1 ZINC000449781946 433791870 /nfs/dbraw/zinc/79/18/70/433791870.db2.gz JRIUTWYZCWXJCP-ZDUSSCGKSA-N 1 0 313.376 3.203 10 0 DGAERO C[NH+]1CCC(CC(=O)NC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000456731500 433799094 /nfs/dbraw/zinc/79/90/94/433799094.db2.gz NCRNLUNDMNPIHF-UHFFFAOYSA-N 1 0 320.864 3.263 10 0 DGAERO C[NH+](C)CC1CCC(Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000301947618 433804496 /nfs/dbraw/zinc/80/44/96/433804496.db2.gz HOQNPDUONSGHLV-UHFFFAOYSA-N 1 0 302.344 3.028 10 0 DGAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)C1 ZINC000356998152 433812829 /nfs/dbraw/zinc/81/28/29/433812829.db2.gz AGDDPBWNQXYDNZ-SOLBZPMBSA-N 1 0 300.446 3.376 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccco2)[C@@H]1c1cccs1 ZINC000362801338 433865015 /nfs/dbraw/zinc/86/50/15/433865015.db2.gz FLPJCLUQNXUFAN-CXAGYDPISA-N 1 0 318.442 3.083 10 0 DGAERO c1nc(C2CCC2)sc1CNCCC[NH2+]Cc1cccnc1 ZINC000414874328 433896448 /nfs/dbraw/zinc/89/64/48/433896448.db2.gz HQBLIJULMUEVNZ-UHFFFAOYSA-N 1 0 316.474 3.075 10 0 DGAERO CC[NH+](CC)CCCCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000357194477 433905233 /nfs/dbraw/zinc/90/52/33/433905233.db2.gz ZVRRBQBDPDEWRV-HOCLYGCPSA-N 1 0 324.415 3.307 10 0 DGAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000377586195 293680667 /nfs/dbraw/zinc/68/06/67/293680667.db2.gz XSYOMUXXKUKOPM-ZYHUDNBSSA-N 1 0 315.244 3.340 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCc2c(C)cc(C)cc2C1 ZINC000362932977 433915182 /nfs/dbraw/zinc/91/51/82/433915182.db2.gz DHARIEBNHPTHQR-SFHVURJKSA-N 1 0 300.446 3.063 10 0 DGAERO Cc1nc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)oc1C ZINC000362960847 433927600 /nfs/dbraw/zinc/92/76/00/433927600.db2.gz BGBURJUCAINJTG-QGZVFWFLSA-N 1 0 305.466 3.379 10 0 DGAERO CN(C)[C@]1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCSC1 ZINC000436288665 433927775 /nfs/dbraw/zinc/92/77/75/433927775.db2.gz GKCRZGCRCOSNOF-BZSNNMDCSA-N 1 0 304.503 3.350 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1nccc2ccccc21 ZINC000363040669 433956897 /nfs/dbraw/zinc/95/68/97/433956897.db2.gz AMYZNNUGOFZBQD-IAGOWNOFSA-N 1 0 323.440 3.324 10 0 DGAERO O=C1NCCc2ccc(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)cc21 ZINC000436399314 433957726 /nfs/dbraw/zinc/95/77/26/433957726.db2.gz DKYYNWOMGGMEPB-RBUKOAKNSA-N 1 0 320.436 3.398 10 0 DGAERO Cn1cc(-c2ccccc2C[NH2+]Cc2cnn3ccccc23)cn1 ZINC000378269439 293771136 /nfs/dbraw/zinc/77/11/36/293771136.db2.gz GYIPEBYBNHNOFW-UHFFFAOYSA-N 1 0 317.396 3.025 10 0 DGAERO c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000377773345 433991364 /nfs/dbraw/zinc/99/13/64/433991364.db2.gz GTIVZPNFRZYKJM-CYBMUJFWSA-N 1 0 309.369 3.442 10 0 DGAERO CC(C)(COCc1ccccc1)[NH2+]CC(=O)NC1CCCCC1 ZINC000390052540 293822198 /nfs/dbraw/zinc/82/21/98/293822198.db2.gz JQWVPYGXJSRTKL-UHFFFAOYSA-N 1 0 318.461 3.020 10 0 DGAERO COc1cc(C[NH2+]CCC(C)(F)F)cc(Br)c1O ZINC000294142665 434011202 /nfs/dbraw/zinc/01/12/02/434011202.db2.gz GNKMZWGEMFDHSL-UHFFFAOYSA-N 1 0 324.165 3.298 10 0 DGAERO [NH3+]C[C@@H]1CN(c2ncccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000393360767 293830535 /nfs/dbraw/zinc/83/05/35/293830535.db2.gz UUEFHBRCMVBFML-KGLIPLIRSA-N 1 0 321.346 3.279 10 0 DGAERO Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000400413996 293864192 /nfs/dbraw/zinc/86/41/92/293864192.db2.gz UVZWMVPLRSFMGC-GJZGRUSLSA-N 1 0 319.449 3.125 10 0 DGAERO CCC[C@H](C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)OC ZINC000400720061 293865599 /nfs/dbraw/zinc/86/55/99/293865599.db2.gz OFFKERNXZSZCPE-SOUVJXGZSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400705768 293865885 /nfs/dbraw/zinc/86/58/85/293865885.db2.gz CPUIODLRINQVPQ-GHMZBOCLSA-N 1 0 310.360 3.174 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1I ZINC000306758971 434085252 /nfs/dbraw/zinc/08/52/52/434085252.db2.gz OYENEBZLCLUHOA-AUTRQRHGSA-N 1 0 301.171 3.350 10 0 DGAERO COc1ccc(C[N@H+](C[C@@H](C)O)C(C)C)cc1Br ZINC000353382427 434093848 /nfs/dbraw/zinc/09/38/48/434093848.db2.gz CRUKPVQLGDAVOA-LLVKDONJSA-N 1 0 316.239 3.049 10 0 DGAERO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1c(F)cccc1Br ZINC000357614989 434099181 /nfs/dbraw/zinc/09/91/81/434099181.db2.gz NGXQUWRPCJTPNT-GHMZBOCLSA-N 1 0 315.230 3.113 10 0 DGAERO FCCCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000310278335 434106005 /nfs/dbraw/zinc/10/60/05/434106005.db2.gz OWFSNUBNGRDHMK-UHFFFAOYSA-N 1 0 304.159 3.017 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459546510 293981681 /nfs/dbraw/zinc/98/16/81/293981681.db2.gz RBELPNUWTRPXHW-DLBZAZTESA-N 1 0 305.462 3.277 10 0 DGAERO C(=C\c1ccccc1)\CC[NH+]1CCN(Cc2cscn2)CC1 ZINC000450339071 434113695 /nfs/dbraw/zinc/11/36/95/434113695.db2.gz NRURWRCNAXNUJO-YWEYNIOJSA-N 1 0 313.470 3.364 10 0 DGAERO C[C@H]([NH2+]CCc1cn(C)cn1)c1sccc1Br ZINC000313255104 434125530 /nfs/dbraw/zinc/12/55/30/434125530.db2.gz QWKVNHFRCIRUOW-VIFPVBQESA-N 1 0 314.252 3.137 10 0 DGAERO c1cc(OC[C@H]2CCCO2)ccc1OCC[NH+]1CCCCC1 ZINC000505662975 294248145 /nfs/dbraw/zinc/24/81/45/294248145.db2.gz QHPUDWLCUJHPDC-GOSISDBHSA-N 1 0 305.418 3.109 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CC2(C)C)C1 ZINC000506928297 294278021 /nfs/dbraw/zinc/27/80/21/294278021.db2.gz BALAFTVGAJEIJJ-BZUAXINKSA-N 1 0 307.482 3.081 10 0 DGAERO COc1cc(OC)cc(OCC[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000510652143 294388664 /nfs/dbraw/zinc/38/86/64/294388664.db2.gz OCOMGVFDPAGQQP-MSOLQXFVSA-N 1 0 305.418 3.251 10 0 DGAERO COc1cc(OC)cc(OCC[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000510652147 294388802 /nfs/dbraw/zinc/38/88/02/294388802.db2.gz OCOMGVFDPAGQQP-ROUUACIJSA-N 1 0 305.418 3.251 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c(N2CCOCC2)c1 ZINC000510723736 294390419 /nfs/dbraw/zinc/39/04/19/294390419.db2.gz SRHGJENFWDDLRK-MOPGFXCFSA-N 1 0 314.473 3.500 10 0 DGAERO c1c(C[NH2+]CCc2ccc3ccccc3n2)nc2ccccn12 ZINC000340439511 434132590 /nfs/dbraw/zinc/13/25/90/434132590.db2.gz NALOYKGAEYZRAP-UHFFFAOYSA-N 1 0 302.381 3.215 10 0 DGAERO O=C1[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)CCCN1C1CCCCC1 ZINC000511032574 294399637 /nfs/dbraw/zinc/39/96/37/294399637.db2.gz SSWOGSOKHOTHHG-RCCFBDPRSA-N 1 0 304.478 3.478 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CO)CC1CCCC1 ZINC000511033863 294399686 /nfs/dbraw/zinc/39/96/86/294399686.db2.gz BGIIJLNFLCIPQF-AHRSYUTCSA-N 1 0 316.489 3.038 10 0 DGAERO C[C@H](O)CC[N@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000450397212 434155555 /nfs/dbraw/zinc/15/55/55/434155555.db2.gz YMJYLFLGEQXJHA-INIZCTEOSA-N 1 0 315.461 3.492 10 0 DGAERO c1ccc(OCC2CC2)c(CN2CC[NH+](C3CCC3)CC2)c1 ZINC000353472700 434162057 /nfs/dbraw/zinc/16/20/57/434162057.db2.gz PMNFUQJSVKTNCC-UHFFFAOYSA-N 1 0 300.446 3.146 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000357801736 434190703 /nfs/dbraw/zinc/19/07/03/434190703.db2.gz XRZRCHMUOHFACC-HOCLYGCPSA-N 1 0 306.450 3.034 10 0 DGAERO c1c[nH]c([C@H]2CCCCN2Cc2cc(-n3ccnc3)cs2)n1 ZINC000346208805 434203531 /nfs/dbraw/zinc/20/35/31/434203531.db2.gz NCULYCXYXPNSPR-OAHLLOKOSA-N 1 0 313.430 3.384 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000357852253 434216650 /nfs/dbraw/zinc/21/66/50/434216650.db2.gz OESZQHCJOGRYGF-HFCFLWKCSA-N 1 0 300.446 3.097 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CCN1Cc1ccccc1 ZINC000379650405 434260460 /nfs/dbraw/zinc/26/04/60/434260460.db2.gz RRGYABXBJLXTDW-AEFFLSMTSA-N 1 0 304.478 3.444 10 0 DGAERO C[C@H](NC(=O)c1cc(Cl)sc1Cl)C1=CC[N@H+](C)CC1 ZINC000357949796 434264285 /nfs/dbraw/zinc/26/42/85/434264285.db2.gz VESRANFPGZBETN-QMMMGPOBSA-N 1 0 319.257 3.435 10 0 DGAERO Brc1ccc([C@H]([NH2+]CCc2cn[nH]c2)C2CC2)cc1 ZINC000353610441 434268462 /nfs/dbraw/zinc/26/84/62/434268462.db2.gz MOXPAIUJQFYITR-OAHLLOKOSA-N 1 0 320.234 3.456 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)CC2 ZINC000353614530 434270529 /nfs/dbraw/zinc/27/05/29/434270529.db2.gz XXWBMDJFWYGTFM-HFTRVMKXSA-N 1 0 311.429 3.025 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)CC2 ZINC000353615104 434271278 /nfs/dbraw/zinc/27/12/78/434271278.db2.gz XXWBMDJFWYGTFM-LESCRADOSA-N 1 0 311.429 3.025 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cnns2)CC1 ZINC000450494390 434224375 /nfs/dbraw/zinc/22/43/75/434224375.db2.gz LKHVKDHYFBOMDM-CQSZACIVSA-N 1 0 308.495 3.015 10 0 DGAERO CC1(C)C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCN1Cc1ccccc1 ZINC000382640755 434280088 /nfs/dbraw/zinc/28/00/88/434280088.db2.gz DDLAEURDTOXDHD-RTBURBONSA-N 1 0 316.489 3.134 10 0 DGAERO CN(Cc1ccc(Br)s1)[C@H]1C[NH+]2CCC1CC2 ZINC000383296072 434282688 /nfs/dbraw/zinc/28/26/88/434282688.db2.gz NYSJRTYCYBYDJM-LBPRGKRZSA-N 1 0 315.280 3.037 10 0 DGAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cn1 ZINC000328642995 434290627 /nfs/dbraw/zinc/29/06/27/434290627.db2.gz RGGPBVPAZGTQHJ-ZDRJDWQYSA-N 1 0 316.449 3.139 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384500206 434293618 /nfs/dbraw/zinc/29/36/18/434293618.db2.gz WUZZNSYCJOYBHQ-JQWIXIFHSA-N 1 0 300.855 3.138 10 0 DGAERO C(=C\c1ccccc1)\CC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000450624662 434303151 /nfs/dbraw/zinc/30/31/51/434303151.db2.gz PTGYIFAGLSIYLL-YWEYNIOJSA-N 1 0 307.441 3.303 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cs1 ZINC000385816909 434303386 /nfs/dbraw/zinc/30/33/86/434303386.db2.gz QZQZDXGPONJBLF-JOYOIKCWSA-N 1 0 304.253 3.103 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cs1 ZINC000385816915 434304459 /nfs/dbraw/zinc/30/44/59/434304459.db2.gz QZQZDXGPONJBLF-SKDRFNHKSA-N 1 0 304.253 3.103 10 0 DGAERO CCCO[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000366047507 434318945 /nfs/dbraw/zinc/31/89/45/434318945.db2.gz DXEATMQUYXXIGQ-AWEZNQCLSA-N 1 0 303.406 3.451 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437717586 434324976 /nfs/dbraw/zinc/32/49/76/434324976.db2.gz BHORYGWNHLOTNY-QWFCFKBJSA-N 1 0 314.473 3.487 10 0 DGAERO CCOCCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000388367983 434330615 /nfs/dbraw/zinc/33/06/15/434330615.db2.gz AFXFRZNWRODLCP-OAHLLOKOSA-N 1 0 314.470 3.040 10 0 DGAERO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437759488 434331339 /nfs/dbraw/zinc/33/13/39/434331339.db2.gz BVAGAFSVBHUSAM-NOLJZWGESA-N 1 0 323.868 3.225 10 0 DGAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncc(Cl)cc2Br)C1 ZINC000382433384 434278646 /nfs/dbraw/zinc/27/86/46/434278646.db2.gz SPCZXTACLLHWBJ-APPZFPTMSA-N 1 0 304.619 3.037 10 0 DGAERO CC(C)C1CC([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390579000 434361998 /nfs/dbraw/zinc/36/19/98/434361998.db2.gz PUTDOUGBYXUHQJ-SOAGJPPSSA-N 1 0 316.489 3.302 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000450722443 434365352 /nfs/dbraw/zinc/36/53/52/434365352.db2.gz BSLOPYRVTINUKC-DIFFPNOSSA-N 1 0 318.442 3.109 10 0 DGAERO CCS(=O)(=O)c1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)cc1 ZINC000450720180 434367508 /nfs/dbraw/zinc/36/75/08/434367508.db2.gz XRZLGQFFUPTAJT-OAHLLOKOSA-N 1 0 307.459 3.268 10 0 DGAERO c1ccc2c(c1)COC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000417370448 434369218 /nfs/dbraw/zinc/36/92/18/434369218.db2.gz UHJZYSSPVCCNOQ-DKKFBQAASA-N 1 0 301.430 3.443 10 0 DGAERO C[C@@H]1CN(C(=O)c2cccc(Cl)c2F)CC[N@@H+](C2CC2)C1 ZINC000295454236 434370207 /nfs/dbraw/zinc/37/02/07/434370207.db2.gz WTXYZFQUPAPVGH-NSHDSACASA-N 1 0 310.800 3.035 10 0 DGAERO Brc1sccc1CNCCC[NH+]1CCCC1 ZINC000388516437 434335100 /nfs/dbraw/zinc/33/51/00/434335100.db2.gz UUUDAWCIIZXYNU-UHFFFAOYSA-N 1 0 303.269 3.086 10 0 DGAERO CO[C@@H]([C@@H](C)[NH2+]Cc1ccsc1Br)C1CC1 ZINC000388731226 434336680 /nfs/dbraw/zinc/33/66/80/434336680.db2.gz DPKFLULIKARPDN-KCJUWKMLSA-N 1 0 304.253 3.414 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000389848211 434351450 /nfs/dbraw/zinc/35/14/50/434351450.db2.gz RZMIZCFJIFQQBL-PELKAZGASA-N 1 0 302.205 3.113 10 0 DGAERO C[C@@]1(C[NH2+]C[C@@H]2CCSC2)CCCN1Cc1ccccc1 ZINC000397873142 434444097 /nfs/dbraw/zinc/44/40/97/434444097.db2.gz IYQXKUNCLCSEHG-ROUUACIJSA-N 1 0 304.503 3.384 10 0 DGAERO CC1(C)C[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CO1 ZINC000397951834 434444247 /nfs/dbraw/zinc/44/42/47/434444247.db2.gz PQHJMUBEPODQEK-HKUYNNGSSA-N 1 0 302.462 3.198 10 0 DGAERO Cn1cc(Br)c(C[NH2+][C@H]2CCCC23CCCC3)n1 ZINC000393352439 434392287 /nfs/dbraw/zinc/39/22/87/434392287.db2.gz ZUEIMZPLQUGQMZ-ZDUSSCGKSA-N 1 0 312.255 3.385 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353749431 434397594 /nfs/dbraw/zinc/39/75/94/434397594.db2.gz KYNHRSQTUUPSSS-IBGZPJMESA-N 1 0 311.429 3.469 10 0 DGAERO CC[C@@H]([NH2+]C1COCCOC1)c1ccc(Cl)c(Cl)c1 ZINC000394097355 434400842 /nfs/dbraw/zinc/40/08/42/434400842.db2.gz WUOPPJHBZKJSKF-CQSZACIVSA-N 1 0 304.217 3.450 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NCc2cccc(F)c2Br)C1 ZINC000394480363 434403279 /nfs/dbraw/zinc/40/32/79/434403279.db2.gz PNENGMDBIMPPLO-GFCCVEGCSA-N 1 0 315.230 3.162 10 0 DGAERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1cccc(O)c1 ZINC000397439229 434436594 /nfs/dbraw/zinc/43/65/94/434436594.db2.gz GGGYLDMJRXKXLL-UHFFFAOYSA-N 1 0 308.422 3.175 10 0 DGAERO CN1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@H]1c1cccs1 ZINC000438200769 434437091 /nfs/dbraw/zinc/43/70/91/434437091.db2.gz NXFPPXQLKXTOKQ-INMHGKMJSA-N 1 0 308.491 3.147 10 0 DGAERO C(=C\c1ccccc1)\CC[NH+]1CCC(Oc2cnccn2)CC1 ZINC000450885550 434458713 /nfs/dbraw/zinc/45/87/13/434458713.db2.gz UXVMSWLBEIBJCO-YWEYNIOJSA-N 1 0 309.413 3.423 10 0 DGAERO C[C@@H]1[C@@H](C(F)(F)F)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000450887402 434464305 /nfs/dbraw/zinc/46/43/05/434464305.db2.gz IMGQTSSKQZTYNN-HIFRSBDPSA-N 1 0 300.368 3.391 10 0 DGAERO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1Br ZINC000399075646 434476219 /nfs/dbraw/zinc/47/62/19/434476219.db2.gz MOJYFKPIAQXNQS-SOUVJXGZSA-N 1 0 324.262 3.350 10 0 DGAERO CCc1noc(C2CCC([NH2+]CCOCC3CCC3)CC2)n1 ZINC000521521324 294876386 /nfs/dbraw/zinc/87/63/86/294876386.db2.gz WRJANPTYJSODGM-UHFFFAOYSA-N 1 0 307.438 3.065 10 0 DGAERO CC[C@@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)C[C@@H]1O ZINC000400071603 434481756 /nfs/dbraw/zinc/48/17/56/434481756.db2.gz HMDPKQFCXBIXHS-MFKMUULPSA-N 1 0 304.217 3.075 10 0 DGAERO Cc1scc(C[NH2+]C[C@H](O)COCc2cccs2)c1C ZINC000399817297 434482624 /nfs/dbraw/zinc/48/26/24/434482624.db2.gz MWVLZNCVMKNKSS-AWEZNQCLSA-N 1 0 311.472 3.094 10 0 DGAERO CCCCOCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400325528 434485341 /nfs/dbraw/zinc/48/53/41/434485341.db2.gz CHGLIPKKONNRBN-HUUCEWRRSA-N 1 0 314.470 3.038 10 0 DGAERO CC[C@](C)(C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)OC ZINC000400432590 434487066 /nfs/dbraw/zinc/48/70/66/434487066.db2.gz LOVSNJUVPYFBCT-CKEIUWERSA-N 1 0 314.470 3.037 10 0 DGAERO CCC[N@H+](Cc1cnns1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000450931956 434491079 /nfs/dbraw/zinc/49/10/79/434491079.db2.gz ZCWNHGOCBJHAQB-ZDUSSCGKSA-N 1 0 318.446 3.167 10 0 DGAERO COC[C@@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)C(C)C ZINC000397972186 434449751 /nfs/dbraw/zinc/44/97/51/434449751.db2.gz BVZHTTGDEGJTAA-MOPGFXCFSA-N 1 0 304.478 3.302 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)NC2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000398056230 434452831 /nfs/dbraw/zinc/45/28/31/434452831.db2.gz DZBVFOMJFBXQES-CRAIPNDOSA-N 1 0 315.461 3.281 10 0 DGAERO C[C@@]1(C[NH2+][C@H]2CCCOCC2)CCCN1Cc1ccccc1 ZINC000397973105 434453010 /nfs/dbraw/zinc/45/30/10/434453010.db2.gz CGGLCGSCLMFIEI-OALUTQOASA-N 1 0 302.462 3.200 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCc2cccc(Cl)c2C1 ZINC000458037352 434453502 /nfs/dbraw/zinc/45/35/02/434453502.db2.gz OTHHZTBDDLJZID-MRXNPFEDSA-N 1 0 306.837 3.099 10 0 DGAERO c1ccc(Oc2cccnc2)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000360086938 434509721 /nfs/dbraw/zinc/50/97/21/434509721.db2.gz FIHNOLQTLBIOII-UHFFFAOYSA-N 1 0 310.397 3.486 10 0 DGAERO O=C(NCCCC1CC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000522908822 294931363 /nfs/dbraw/zinc/93/13/63/294931363.db2.gz KOVKSGRJUUGWTG-GOSISDBHSA-N 1 0 315.461 3.313 10 0 DGAERO c1cc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)sn1 ZINC000404429478 434514619 /nfs/dbraw/zinc/51/46/19/434514619.db2.gz LCZTYSPCWXYXEQ-INIZCTEOSA-N 1 0 301.459 3.145 10 0 DGAERO c1cc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)sn1 ZINC000404429480 434517569 /nfs/dbraw/zinc/51/75/69/434517569.db2.gz LCZTYSPCWXYXEQ-MRXNPFEDSA-N 1 0 301.459 3.145 10 0 DGAERO CN1CCN(C(=O)c2ccoc2C2CC2)[C@H](c2ccccc2)C1 ZINC000366817639 434517641 /nfs/dbraw/zinc/51/76/41/434517641.db2.gz HJVSBJCMNHJSJP-KRWDZBQOSA-N 1 0 310.397 3.286 10 0 DGAERO C[C@@]1(F)CCN(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000360114796 434521219 /nfs/dbraw/zinc/52/12/19/434521219.db2.gz IWOOTNHQVRWFKW-CYBMUJFWSA-N 1 0 312.186 3.259 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCSC[C@H]2CCO)c1C ZINC000438647842 434521472 /nfs/dbraw/zinc/52/14/72/434521472.db2.gz PBXKTQVDJURDCM-MRXNPFEDSA-N 1 0 321.486 3.114 10 0 DGAERO CC1(C)C[N@H+](C[C@H]2CCC3(CCCCC3)O2)C[C@]2(CCOC2)O1 ZINC000366874326 434529564 /nfs/dbraw/zinc/52/95/64/434529564.db2.gz ICDSQDKTOYSDFY-APWZRJJASA-N 1 0 323.477 3.138 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2CCCCCC2)C1 ZINC000459005280 434554186 /nfs/dbraw/zinc/55/41/86/434554186.db2.gz GECAYAKKTJJIQQ-DLBZAZTESA-N 1 0 307.482 3.083 10 0 DGAERO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N(C)CC2CC2)cc1 ZINC000525638631 295023195 /nfs/dbraw/zinc/02/31/95/295023195.db2.gz VKXBLMMUWUYEOC-SFHVURJKSA-N 1 0 300.446 3.390 10 0 DGAERO CCc1ccc(O)c(C(=O)N2CCC(C[NH+](CC)CC)CC2)c1 ZINC000525758452 295030905 /nfs/dbraw/zinc/03/09/05/295030905.db2.gz LEWBGBYBHODUBH-UHFFFAOYSA-N 1 0 318.461 3.149 10 0 DGAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C3CC3)cc1)CC2 ZINC000459336287 434564111 /nfs/dbraw/zinc/56/41/11/434564111.db2.gz ALXFDWLYKWJSKR-RBUKOAKNSA-N 1 0 315.457 3.316 10 0 DGAERO c1nc(C2OCCO2)sc1C[NH2+]CC(C1CCC1)C1CCC1 ZINC000527732947 295122172 /nfs/dbraw/zinc/12/21/72/295122172.db2.gz AHUQPXXMGNSKFH-UHFFFAOYSA-N 1 0 322.474 3.495 10 0 DGAERO c1ccc(CN2CCC([NH2+]CC[C@@H]3CCCOC3)CC2)cc1 ZINC000527739422 295123637 /nfs/dbraw/zinc/12/36/37/295123637.db2.gz NZAAFCKXQDZXNP-SFHVURJKSA-N 1 0 302.462 3.057 10 0 DGAERO c1ccc(N2CCOCC2)c(C[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000527789867 295130880 /nfs/dbraw/zinc/13/08/80/295130880.db2.gz OWQRIMZLRHGWQD-KRWDZBQOSA-N 1 0 300.446 3.359 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@@H]2C)CN1Cc1ccccc1 ZINC000527804503 295133307 /nfs/dbraw/zinc/13/33/07/295133307.db2.gz QKAXMAQGIPNGPA-BNIPCRSQSA-N 1 0 302.462 3.051 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2CCN2C2CCCC2)C1 ZINC000528004246 295165069 /nfs/dbraw/zinc/16/50/69/295165069.db2.gz WHLAMUBYSXMRLR-GDBMZVCRSA-N 1 0 309.457 3.242 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]CC1COC1)CCCC2 ZINC000528030512 295169152 /nfs/dbraw/zinc/16/91/52/295169152.db2.gz MNXULRGUTFOOSE-OAHLLOKOSA-N 1 0 310.235 3.453 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nccc3ccccc32)[C@H]1SC ZINC000459397340 434577961 /nfs/dbraw/zinc/57/79/61/434577961.db2.gz HIPUMDUNSQXMHW-USXIJHARSA-N 1 0 302.443 3.233 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCCN2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000247129044 295179669 /nfs/dbraw/zinc/17/96/69/295179669.db2.gz NLKCIBOTSLRUMP-YJBOKZPZSA-N 1 0 318.461 3.325 10 0 DGAERO Brc1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)nc1 ZINC000528211658 295187131 /nfs/dbraw/zinc/18/71/31/295187131.db2.gz SQDWYDQLJZKTBG-ZDUSSCGKSA-N 1 0 310.239 3.273 10 0 DGAERO [NH3+]CCCCCCC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000152251484 295227951 /nfs/dbraw/zinc/22/79/51/295227951.db2.gz QOIRDGRYTUEDTH-KRWDZBQOSA-N 1 0 306.425 3.268 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@H](C3CC3)C1)CCCO2 ZINC000248763358 295276447 /nfs/dbraw/zinc/27/64/47/295276447.db2.gz GTPBYYPXSXIBKA-POZUXBRTSA-N 1 0 317.429 3.456 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000261773358 295315295 /nfs/dbraw/zinc/31/52/95/295315295.db2.gz OPWMEIPMXUGEKR-MLHJIOFPSA-N 1 0 300.446 3.347 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000354096000 434617479 /nfs/dbraw/zinc/61/74/79/434617479.db2.gz GLHSEUMSXHWRFT-CABCVRRESA-N 1 0 315.442 3.064 10 0 DGAERO CC(=O)c1cnc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)s1 ZINC000424129965 434631368 /nfs/dbraw/zinc/63/13/68/434631368.db2.gz SMOYPPLTUHSOKE-CYBMUJFWSA-N 1 0 323.462 3.362 10 0 DGAERO C=Cc1ccc(CCNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000418204914 434611922 /nfs/dbraw/zinc/61/19/22/434611922.db2.gz QLTMHTHHSIRSFA-HNNXBMFYSA-N 1 0 323.440 3.391 10 0 DGAERO Cc1ccc(C2(CNC(=O)CC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000452729442 434694284 /nfs/dbraw/zinc/69/42/84/434694284.db2.gz KCLFRRGYPPZLPC-UHFFFAOYSA-N 1 0 314.473 3.183 10 0 DGAERO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000371414600 434697476 /nfs/dbraw/zinc/69/74/76/434697476.db2.gz JTUHIIYJJHAAMZ-INIZCTEOSA-N 1 0 309.417 3.213 10 0 DGAERO c1nc2ccccn2c1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360665172 434660997 /nfs/dbraw/zinc/66/09/97/434660997.db2.gz UONLPONWNOIGMQ-HXUWFJFHSA-N 1 0 319.408 3.356 10 0 DGAERO CN(CC1CC1)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459680009 434662619 /nfs/dbraw/zinc/66/26/19/434662619.db2.gz UJUVKTUAGLMXFV-QZTJIDSGSA-N 1 0 300.446 3.123 10 0 DGAERO O[C@H](CC[NH2+]Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000349293941 434663068 /nfs/dbraw/zinc/66/30/68/434663068.db2.gz HEJVMULQZTWFNN-SNVBAGLBSA-N 1 0 302.123 3.396 10 0 DGAERO c1cc(CN2CC[NH+]3CCC2CC3)cc(OC2CCCC2)c1 ZINC000349302885 434665740 /nfs/dbraw/zinc/66/57/40/434665740.db2.gz YBZOWHZCEOUDCS-UHFFFAOYSA-N 1 0 300.446 3.288 10 0 DGAERO O[C@@H](CC[NH2+]Cc1c(Cl)oc2ccccc21)C(F)(F)F ZINC000349313021 434668825 /nfs/dbraw/zinc/66/88/25/434668825.db2.gz FZRIWOYJHOXMSP-NSHDSACASA-N 1 0 307.699 3.489 10 0 DGAERO CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000371457119 434707220 /nfs/dbraw/zinc/70/72/20/434707220.db2.gz NQGFJDONHSMMOE-DPQIITEBSA-N 1 0 315.804 3.140 10 0 DGAERO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)CCCO ZINC000440962614 434756893 /nfs/dbraw/zinc/75/68/93/434756893.db2.gz VEERDKAZYCJRGL-UHFFFAOYSA-N 1 0 321.852 3.016 10 0 DGAERO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000444781369 434789878 /nfs/dbraw/zinc/78/98/78/434789878.db2.gz OPSZEGIGRFBFEY-UHFFFAOYSA-N 1 0 314.473 3.487 10 0 DGAERO COC1([C@@H](C)[NH2+]CCc2ccc(Cl)s2)CCOCC1 ZINC000453096414 434799509 /nfs/dbraw/zinc/79/95/09/434799509.db2.gz UXJGMTMSCQSITN-LLVKDONJSA-N 1 0 303.855 3.118 10 0 DGAERO COC1([C@H](C)[NH2+]CCCO[C@@H](C)c2ccccc2)CCOCC1 ZINC000453088680 434797040 /nfs/dbraw/zinc/79/70/40/434797040.db2.gz OLRICYFYWKBJQD-IRXDYDNUSA-N 1 0 321.461 3.328 10 0 DGAERO CC[C@@H](C[NH2+][C@H](C)C1(OC)CCOCC1)Oc1cccc(C)c1 ZINC000453150976 434818079 /nfs/dbraw/zinc/81/80/79/434818079.db2.gz NEQXVJRNDQQCSN-SJORKVTESA-N 1 0 321.461 3.326 10 0 DGAERO COC1([C@H](C)[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)CCOCC1 ZINC000453268573 434844459 /nfs/dbraw/zinc/84/44/59/434844459.db2.gz KPGKZMYJWRTRAF-IJEWVQPXSA-N 1 0 305.418 3.072 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1 ZINC000523451916 434949742 /nfs/dbraw/zinc/94/97/42/434949742.db2.gz WZFDASMGRUPBNP-WMZOPIPTSA-N 1 0 317.477 3.080 10 0 DGAERO c1c(CC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)nc2ccccn12 ZINC000462799566 434929335 /nfs/dbraw/zinc/92/93/35/434929335.db2.gz ZNUAMDKIERUUBK-GVDBMIGSSA-N 1 0 313.445 3.062 10 0 DGAERO CCC[C@](C)(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462790847 434930358 /nfs/dbraw/zinc/93/03/58/434930358.db2.gz JRFQLFSSUBVYCF-SFHVURJKSA-N 1 0 307.434 3.283 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(CNCCC[NH+]2CCCC2)cc1 ZINC000462804971 434931056 /nfs/dbraw/zinc/93/10/56/434931056.db2.gz SZDBEEFAFCGLTC-UHFFFAOYSA-N 1 0 318.461 3.217 10 0 DGAERO CN(CC1CC1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466076722 435060038 /nfs/dbraw/zinc/06/00/38/435060038.db2.gz JCUVNIVKCAYISN-ZBFHGGJFSA-N 1 0 321.490 3.182 10 0 DGAERO c1ccc(COCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000466344053 435072038 /nfs/dbraw/zinc/07/20/38/435072038.db2.gz SCWYIZATPOYEBB-IPMKNSEASA-N 1 0 303.446 3.388 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(C1)CCCCC2 ZINC000465760545 435043072 /nfs/dbraw/zinc/04/30/72/435043072.db2.gz ROOGNFRMIQTSNO-SJORKVTESA-N 1 0 321.509 3.473 10 0 DGAERO CC[N@H+](CCNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)C(C)C ZINC000465831940 435047532 /nfs/dbraw/zinc/04/75/32/435047532.db2.gz KHGMFBJBVZTSIZ-HZPDHXFCSA-N 1 0 321.465 3.493 10 0 DGAERO CCCC[N@H+](C)CCNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000465926257 435052014 /nfs/dbraw/zinc/05/20/14/435052014.db2.gz PHFLQIBOFURRLH-HOTGVXAUSA-N 1 0 321.465 3.494 10 0 DGAERO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000492815170 435055640 /nfs/dbraw/zinc/05/56/40/435055640.db2.gz CXNGIAABWQGTLY-HIFRSBDPSA-N 1 0 318.417 3.302 10 0 DGAERO c1ccc2c(c1)CC[C@]1(CC[N@@H+](CC[C@H]3CCCCO3)C1)O2 ZINC000578700853 435102991 /nfs/dbraw/zinc/10/29/91/435102991.db2.gz JQWVKBFQFJAYSR-IEBWSBKVSA-N 1 0 301.430 3.415 10 0 DGAERO O=C(c1cccc2ncccc21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000114686142 304560121 /nfs/dbraw/zinc/56/01/21/304560121.db2.gz PYAQAWHHLQNFAQ-MRXNPFEDSA-N 1 0 323.440 3.325 10 0 DGAERO CC(C)C[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531677768 435109572 /nfs/dbraw/zinc/10/95/72/435109572.db2.gz VYQWQVMZMRFXBT-CVEARBPZSA-N 1 0 309.523 3.061 10 0 DGAERO CCc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000531722445 435112562 /nfs/dbraw/zinc/11/25/62/435112562.db2.gz BJLQHUJRUKHHJC-KXBFYZLASA-N 1 0 313.445 3.237 10 0 DGAERO CCc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000531722442 435112641 /nfs/dbraw/zinc/11/26/41/435112641.db2.gz BJLQHUJRUKHHJC-BEFAXECRSA-N 1 0 313.445 3.237 10 0 DGAERO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[NH+](CC2CCCCC2)CC1 ZINC000467295493 435115819 /nfs/dbraw/zinc/11/58/19/435115819.db2.gz PQHRATOJDVYDEQ-PIIMJCKOSA-N 1 0 304.478 3.147 10 0 DGAERO CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C)C1CCCC1 ZINC000470930513 435135822 /nfs/dbraw/zinc/13/58/22/435135822.db2.gz IXGGXLMFSCRTSB-TZMCWYRMSA-N 1 0 320.399 3.439 10 0 DGAERO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)C(C)(C)C ZINC000559796305 435138928 /nfs/dbraw/zinc/13/89/28/435138928.db2.gz QIRRGTHFAIJYBO-ZDUSSCGKSA-N 1 0 318.230 3.427 10 0 DGAERO CC[C@@H](C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1)c1ccccc1 ZINC000475633766 435206365 /nfs/dbraw/zinc/20/63/65/435206365.db2.gz YHAUHZYRJPRMAW-QFBILLFUSA-N 1 0 303.446 3.450 10 0 DGAERO C[N@H+](CC1CC1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475044635 435172210 /nfs/dbraw/zinc/17/22/10/435172210.db2.gz DGGHZQMFIPLSTL-AWEZNQCLSA-N 1 0 313.228 3.441 10 0 DGAERO COC(=O)[C@](C)(C[NH2+][C@@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000580349554 435225687 /nfs/dbraw/zinc/22/56/87/435225687.db2.gz JOASERXXTHFPOI-ZHALLVOQSA-N 1 0 301.430 3.286 10 0 DGAERO COC(=O)[C@](C)(C[NH2+][C@@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000580349553 435226490 /nfs/dbraw/zinc/22/64/90/435226490.db2.gz JOASERXXTHFPOI-YQVWRLOYSA-N 1 0 301.430 3.286 10 0 DGAERO CC(C)n1nccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000583619500 435244287 /nfs/dbraw/zinc/24/42/87/435244287.db2.gz TVROORONARXZFH-KSZLIROESA-N 1 0 305.466 3.370 10 0 DGAERO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)CC2 ZINC000477856905 435281205 /nfs/dbraw/zinc/28/12/05/435281205.db2.gz FNKYGIYNVKRMGB-ICSRJNTNSA-N 1 0 317.473 3.473 10 0 DGAERO COc1ccc(C[N@H+](C)C2CCOCC2)cc1OCC(C)C ZINC000534345472 435284390 /nfs/dbraw/zinc/28/43/90/435284390.db2.gz QJODAZCZJOVIOC-UHFFFAOYSA-N 1 0 307.434 3.341 10 0 DGAERO C[C@@H]1C[C@H]1CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479434075 435331794 /nfs/dbraw/zinc/33/17/94/435331794.db2.gz BVXRAHFPXDNFRP-NUJGCVRESA-N 1 0 321.509 3.329 10 0 DGAERO CC[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccn(C)n1 ZINC000479466065 435332734 /nfs/dbraw/zinc/33/27/34/435332734.db2.gz LQBZVLKPSDXLGM-SFHVURJKSA-N 1 0 312.461 3.377 10 0 DGAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CCC(C)(C)CC2)cc1 ZINC000567689704 435342302 /nfs/dbraw/zinc/34/23/02/435342302.db2.gz PGYURUIEIFFNET-KRWDZBQOSA-N 1 0 319.445 3.187 10 0 DGAERO C[C@@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)C[C@H]1[NH3+] ZINC000643600689 435353910 /nfs/dbraw/zinc/35/39/10/435353910.db2.gz UNZAEHWCEPSFQR-GMSGAONNSA-N 1 0 312.797 3.113 10 0 DGAERO Cc1ccccc1CC(=O)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000512487328 435361063 /nfs/dbraw/zinc/36/10/63/435361063.db2.gz TWARSZQNXZZAFY-SFHVURJKSA-N 1 0 312.457 3.038 10 0 DGAERO Cc1nc(CC[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cs1 ZINC000536607504 435392700 /nfs/dbraw/zinc/39/27/00/435392700.db2.gz YJBCRLLGLQZIRH-CQSZACIVSA-N 1 0 324.490 3.438 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCN1CCOC(C)(C)C1 ZINC000513493734 435392988 /nfs/dbraw/zinc/39/29/88/435392988.db2.gz CPEOSNVRZSIHKI-NTCAYCPXSA-N 1 0 322.880 3.444 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000537992017 435477996 /nfs/dbraw/zinc/47/79/96/435477996.db2.gz VBVCEZQMSWGWAC-WOPDTQHZSA-N 1 0 310.825 3.311 10 0 DGAERO CCC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000483285794 435507695 /nfs/dbraw/zinc/50/76/95/435507695.db2.gz ZJXHUVXJSIQQLE-CVEARBPZSA-N 1 0 322.497 3.449 10 0 DGAERO C[C@@H](CCc1ccccc1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000483190847 435501990 /nfs/dbraw/zinc/50/19/90/435501990.db2.gz DZWVYXSMEUAZNL-QFBILLFUSA-N 1 0 303.446 3.278 10 0 DGAERO Cc1ccc(SCCC(=O)N(C)CCC[NH+](C)C)cc1C ZINC000539416719 435552342 /nfs/dbraw/zinc/55/23/42/435552342.db2.gz XPMOVHQXGRKUQD-UHFFFAOYSA-N 1 0 308.491 3.196 10 0 DGAERO COc1ccc2sc(C(=O)N(C)CCC[NH+](C)C)c(C)c2c1 ZINC000539416355 435552692 /nfs/dbraw/zinc/55/26/92/435552692.db2.gz ZYUPBOGVYCQQNS-UHFFFAOYSA-N 1 0 320.458 3.242 10 0 DGAERO CC(C)[C@H](C(=O)N(C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000539416386 435553120 /nfs/dbraw/zinc/55/31/20/435553120.db2.gz OOUMVHODRCQHHP-INIZCTEOSA-N 1 0 310.869 3.490 10 0 DGAERO c1cn(Cc2ccccc2)nc1C[NH2+]CC1Cc2ccccc2C1 ZINC000569774426 435558772 /nfs/dbraw/zinc/55/87/72/435558772.db2.gz IHIBYYQXTGIMCX-UHFFFAOYSA-N 1 0 317.436 3.436 10 0 DGAERO Fc1ccc(C[NH2+]CCOCC2CCC2)cc1Br ZINC000569799753 435561953 /nfs/dbraw/zinc/56/19/53/435561953.db2.gz MFRFBSROMIVCEE-UHFFFAOYSA-N 1 0 316.214 3.495 10 0 DGAERO COC[C@@H](O)C[NH2+]C1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC000539728090 435562982 /nfs/dbraw/zinc/56/29/82/435562982.db2.gz MMPDQHQDKHYQBE-KRWDZBQOSA-N 1 0 305.462 3.350 10 0 DGAERO Cc1ccc(-c2noc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2)cc1 ZINC000484153897 435540058 /nfs/dbraw/zinc/54/00/58/435540058.db2.gz ASARGKCRUGNFTI-MRXNPFEDSA-N 1 0 312.417 3.110 10 0 DGAERO CCc1cc(NC(=O)NCC[N@H+]2CC=C(C)CC2)ccc1F ZINC000486784942 435613464 /nfs/dbraw/zinc/61/34/64/435613464.db2.gz HFNLQBKMKPQJIL-UHFFFAOYSA-N 1 0 305.397 3.162 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000517990529 435621605 /nfs/dbraw/zinc/62/16/05/435621605.db2.gz KNLHFZVVZZUMKX-MOPGFXCFSA-N 1 0 314.473 3.342 10 0 DGAERO COC(=O)[C@H](C1CC1)[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000541058176 435634425 /nfs/dbraw/zinc/63/44/25/435634425.db2.gz AZESSMASFLDZCB-KRWDZBQOSA-N 1 0 305.393 3.032 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000540296543 435596531 /nfs/dbraw/zinc/59/65/31/435596531.db2.gz CLEKOJRXAJFBAA-UHFFFAOYSA-N 1 0 321.339 3.103 10 0 DGAERO COC[C@H]([NH2+]CCOc1ccccc1F)c1ccc(F)cc1 ZINC000540476544 435601420 /nfs/dbraw/zinc/60/14/20/435601420.db2.gz GIWDAEDMBOOUDK-INIZCTEOSA-N 1 0 307.340 3.321 10 0 DGAERO CC(C)c1ccc(/C=C\CC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000490402729 435655579 /nfs/dbraw/zinc/65/55/79/435655579.db2.gz VQBGMSYFAQVVHA-XQRVVYSFSA-N 1 0 300.446 3.377 10 0 DGAERO C[N@H+](CCC(=O)N[C@@H]1CCCC(F)(F)C1)C1CCCCC1 ZINC000548065303 435665627 /nfs/dbraw/zinc/66/56/27/435665627.db2.gz ZAHDXWQHEDATCS-CYBMUJFWSA-N 1 0 302.409 3.335 10 0 DGAERO CCc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CC)C2)cc1Cl ZINC000490756363 435678232 /nfs/dbraw/zinc/67/82/32/435678232.db2.gz FZIOWQOZRUEFLJ-GFCCVEGCSA-N 1 0 309.841 3.366 10 0 DGAERO Cc1csc([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)n1 ZINC000548388703 435686594 /nfs/dbraw/zinc/68/65/94/435686594.db2.gz CEVPNSCMEHKXER-ZDUSSCGKSA-N 1 0 309.479 3.283 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)c1Cl ZINC000113225279 300315063 /nfs/dbraw/zinc/31/50/63/300315063.db2.gz WYGLPPCJKTXOAB-WDEREUQCSA-N 1 0 313.228 3.302 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000262129829 300324910 /nfs/dbraw/zinc/32/49/10/300324910.db2.gz LJXGAGXEBAYSCU-HESDIHGYSA-N 1 0 304.478 3.097 10 0 DGAERO CCCC[C@@H](C(=O)OC)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059029 435701524 /nfs/dbraw/zinc/70/15/24/435701524.db2.gz QSAXFSPHELAQQM-ROUUACIJSA-N 1 0 324.509 3.306 10 0 DGAERO CC(C)(C)OC(=O)CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491054487 435698227 /nfs/dbraw/zinc/69/82/27/435698227.db2.gz CCPXZOPUXVEZAP-QGZVFWFLSA-N 1 0 324.509 3.306 10 0 DGAERO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000551525678 435839490 /nfs/dbraw/zinc/83/94/90/435839490.db2.gz KWKADIQZTUHOHL-PXNSSMCTSA-N 1 0 318.505 3.428 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1cc(Cl)cc(Cl)c1 ZINC000552576520 435906381 /nfs/dbraw/zinc/90/63/81/435906381.db2.gz ZUAWHEOPQSBRLC-RKDXNWHRSA-N 1 0 310.246 3.077 10 0 DGAERO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000122421088 301289552 /nfs/dbraw/zinc/28/95/52/301289552.db2.gz VOLGGYBMDMTUDS-UKRRQHHQSA-N 1 0 322.836 3.073 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccc(Cl)c1Cl ZINC000658245814 436409512 /nfs/dbraw/zinc/40/95/12/436409512.db2.gz VVWQPJHMZJWOAC-VHSXEESVSA-N 1 0 301.217 3.122 10 0 DGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(F)cc1Br ZINC000658352148 436437188 /nfs/dbraw/zinc/43/71/88/436437188.db2.gz TYWIHJXDNOMCJO-FKTRJACZSA-N 1 0 302.187 3.010 10 0 DGAERO Cc1cnc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000245620572 302360778 /nfs/dbraw/zinc/36/07/78/302360778.db2.gz DZOPYGNNMJHBMA-KBPBESRZSA-N 1 0 316.430 3.018 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCCc2ccccc21 ZINC000261825892 303364379 /nfs/dbraw/zinc/36/43/79/303364379.db2.gz KROYJAQFTODGRC-DLLQETOTSA-N 1 0 312.457 3.129 10 0 DGAERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC12CCC2 ZINC000435576770 303802038 /nfs/dbraw/zinc/80/20/38/303802038.db2.gz BYNLORBGPCMYDG-QGZVFWFLSA-N 1 0 313.445 3.162 10 0 DGAERO CC(C)c1ccc(C[C@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000166291631 312693783 /nfs/dbraw/zinc/69/37/83/312693783.db2.gz ULIDATWWDFXWFT-YJBOKZPZSA-N 1 0 317.477 3.087 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000170986342 312708157 /nfs/dbraw/zinc/70/81/57/312708157.db2.gz XZVQHTCSBPYHBM-SJORKVTESA-N 1 0 318.461 3.245 10 0 DGAERO CCC[NH+]1CCN(C(=O)Nc2cc(F)ccc2OC(C)C)CC1 ZINC000172340978 312745991 /nfs/dbraw/zinc/74/59/91/312745991.db2.gz WURDMPILLYNJBP-UHFFFAOYSA-N 1 0 323.412 3.172 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1 ZINC000178118253 312786381 /nfs/dbraw/zinc/78/63/81/312786381.db2.gz FWEZEUKOCKLTNJ-KDOFPFPSSA-N 1 0 301.434 3.238 10 0 DGAERO O[C@@H](C[N@@H+]1CCS[C@H](c2ccccc2)C1)CC(F)(F)F ZINC000376954032 313002052 /nfs/dbraw/zinc/00/20/52/313002052.db2.gz IKYATKUWYKDAKR-OLZOCXBDSA-N 1 0 305.365 3.090 10 0 DGAERO COCCSCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000377094700 313016270 /nfs/dbraw/zinc/01/62/70/313016270.db2.gz OWXAJBLUBQCCHD-WBVHZDCISA-N 1 0 309.475 3.218 10 0 DGAERO CC1([NH3+])CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000530216730 313341557 /nfs/dbraw/zinc/34/15/57/313341557.db2.gz DCTMTJJSGRJPKM-UHFFFAOYSA-N 1 0 319.193 3.041 10 0 DGAERO c1ccc([C@H](C[C@@H]2CCOC2)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222791 313342547 /nfs/dbraw/zinc/34/25/47/313342547.db2.gz RQQKYVTUCRAZRX-RYQLBKOJSA-N 1 0 300.446 3.029 10 0 DGAERO c1cn(CCCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000535087445 313699411 /nfs/dbraw/zinc/69/94/11/313699411.db2.gz HEHRAGJUJUVRCS-HKUYNNGSSA-N 1 0 313.445 3.421 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC=C(C(C)(C)C)CC2)CC1 ZINC000535428354 313713645 /nfs/dbraw/zinc/71/36/45/313713645.db2.gz JRLRCWPDCWWCJZ-UHFFFAOYSA-N 1 0 321.509 3.496 10 0 DGAERO COc1cc(C)nc(C[NH2+][C@H](C)CN(C)Cc2ccccc2)c1 ZINC000309688474 533700904 /nfs/dbraw/zinc/70/09/04/533700904.db2.gz CGEKSBUZFBPVCC-MRXNPFEDSA-N 1 0 313.445 3.009 10 0 DGAERO C[C@@H]([NH2+]CCCC1CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000539071692 313898625 /nfs/dbraw/zinc/89/86/25/313898625.db2.gz SXTNHHAXDJYIJR-APWZRJJASA-N 1 0 302.462 3.228 10 0 DGAERO CC(C)[C@@H](SCc1ccccc1)C(=O)N(C)CCC[NH+](C)C ZINC000539418099 313911855 /nfs/dbraw/zinc/91/18/55/313911855.db2.gz QNIWCEBJABDAER-QGZVFWFLSA-N 1 0 322.518 3.355 10 0 DGAERO c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000540153047 313949458 /nfs/dbraw/zinc/94/94/58/313949458.db2.gz CTKGSHUBSIZTJJ-CADBVGFASA-N 1 0 301.430 3.250 10 0 DGAERO C[N@H+](C[C@H]1CC=CCC1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000541313472 314007244 /nfs/dbraw/zinc/00/72/44/314007244.db2.gz LXFCROYAQNRBIU-XJKSGUPXSA-N 1 0 320.383 3.358 10 0 DGAERO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000541314679 314007336 /nfs/dbraw/zinc/00/73/36/314007336.db2.gz JHXIVAZHGWALNK-QZTJIDSGSA-N 1 0 314.473 3.330 10 0 DGAERO CCC[N@H+](CC)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000542930542 314106361 /nfs/dbraw/zinc/10/63/61/314106361.db2.gz OCLLPNVONUCEIQ-UHFFFAOYSA-N 1 0 302.374 3.360 10 0 DGAERO COC(=O)c1ccc(-c2nc(C[N@@H+]3C[C@@H](C)C[C@H]3C)co2)cc1 ZINC000542933196 314107230 /nfs/dbraw/zinc/10/72/30/314107230.db2.gz XOLIZOFPUMYPIW-QWHCGFSZSA-N 1 0 314.385 3.359 10 0 DGAERO Cc1[nH+]c2ccccc2c(NC[C@H](CO)c2ccccc2)c1C ZINC000543137901 314116019 /nfs/dbraw/zinc/11/60/19/314116019.db2.gz WOQZHCVKJAHIBJ-QGZVFWFLSA-N 1 0 306.409 3.462 10 0 DGAERO CC[C@H]([NH2+]Cc1nc(-c2ccc(C)cc2)no1)[C@H]1CCCO1 ZINC000543495560 314139347 /nfs/dbraw/zinc/13/93/47/314139347.db2.gz ZVEWJUBWJMYJNS-LSDHHAIUSA-N 1 0 301.390 3.092 10 0 DGAERO Cn1ccc([C@@H]([NH2+]CC(C)(C)CCO)c2ccc(Cl)cc2)n1 ZINC000543592788 314143901 /nfs/dbraw/zinc/14/39/01/314143901.db2.gz YJQCTRJVSLCODB-INIZCTEOSA-N 1 0 321.852 3.161 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2C[C@H](C)CC(C)(C)C2)CC1 ZINC000544136257 314175842 /nfs/dbraw/zinc/17/58/42/314175842.db2.gz IKAOSJBDRXYRIF-OAHLLOKOSA-N 1 0 309.498 3.186 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000544440443 314193560 /nfs/dbraw/zinc/19/35/60/314193560.db2.gz LQYXKCLWDSMUQB-BFYDXBDKSA-N 1 0 309.498 3.232 10 0 DGAERO c1ccc2c(c1)nc(CNC1CC[NH+](CC3CC3)CC1)n2C1CC1 ZINC000544942255 314217811 /nfs/dbraw/zinc/21/78/11/314217811.db2.gz IJESBAFHOBRODK-UHFFFAOYSA-N 1 0 324.472 3.335 10 0 DGAERO Cc1ccc([C@@H](C)C[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000545905698 314273998 /nfs/dbraw/zinc/27/39/98/314273998.db2.gz URTHKUGHTKWGOQ-INIZCTEOSA-N 1 0 310.445 3.147 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)cc1 ZINC000547363795 314360170 /nfs/dbraw/zinc/36/01/70/314360170.db2.gz IMGSERWRAFIHKU-YWZLYKJASA-N 1 0 310.441 3.403 10 0 DGAERO c1cnc2c(c1)nccc2NC1CC[NH+](C2CCCCC2)CC1 ZINC000549526624 314510263 /nfs/dbraw/zinc/51/02/63/314510263.db2.gz DFNPPQXXEUOXRV-UHFFFAOYSA-N 1 0 310.445 3.261 10 0 DGAERO CC(C)[C@H](CO)C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000554377385 314677469 /nfs/dbraw/zinc/67/74/69/314677469.db2.gz NQKLCARDOYKLFM-YOEHRIQHSA-N 1 0 321.852 3.017 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000555233373 314716407 /nfs/dbraw/zinc/71/64/07/314716407.db2.gz VMPUHDWDQVGBBP-JVPBZIDWSA-N 1 0 300.446 3.027 10 0 DGAERO C[C@@](O)(C[NH2+]Cc1nccn1-c1ccccc1)C1CCCCC1 ZINC000564792742 315199918 /nfs/dbraw/zinc/19/99/18/315199918.db2.gz XXAQYYGXCZPWGL-LJQANCHMSA-N 1 0 313.445 3.293 10 0 DGAERO Cc1cc(-c2nnc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)o2)c(C)o1 ZINC000564920200 315212420 /nfs/dbraw/zinc/21/24/20/315212420.db2.gz UGNMNISXSPWERV-OAHLLOKOSA-N 1 0 324.384 3.331 10 0 DGAERO c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000566501206 315354196 /nfs/dbraw/zinc/35/41/96/315354196.db2.gz PHUQKPHVJRYBRW-RTBURBONSA-N 1 0 314.473 3.200 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+](CC(N)=O)C(C)C ZINC000566882440 315381151 /nfs/dbraw/zinc/38/11/51/315381151.db2.gz QVQJGQMSZVWWIJ-GHXNOFRVSA-N 1 0 314.351 3.304 10 0 DGAERO COc1cccc(C[C@@H]([NH2+]CCN2CC=C(C)CC2)C2CC2)c1 ZINC000569980839 315616037 /nfs/dbraw/zinc/61/60/37/315616037.db2.gz UUGVMPLGXXULSU-HXUWFJFHSA-N 1 0 314.473 3.258 10 0 DGAERO Cn1c(C[NH2+]CCOCC2CCC2)nc2ccc(Cl)cc21 ZINC000570769473 315673216 /nfs/dbraw/zinc/67/32/16/315673216.db2.gz FZANGTLTJYILKK-UHFFFAOYSA-N 1 0 307.825 3.133 10 0 DGAERO c1csc([C@H](C[NH2+][C@H]2CCCC23CC3)N2CCOCC2)c1 ZINC000573743057 315896155 /nfs/dbraw/zinc/89/61/55/315896155.db2.gz FACHHUWVKUGANR-HOCLYGCPSA-N 1 0 306.475 3.044 10 0 DGAERO c1c2cccnc2oc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000577030572 316193646 /nfs/dbraw/zinc/19/36/46/316193646.db2.gz OAZIXZISUWYHPF-UHFFFAOYSA-N 1 0 300.402 3.466 10 0 DGAERO C[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)C1CCOCC1 ZINC000179847933 323215803 /nfs/dbraw/zinc/21/58/03/323215803.db2.gz ROIBCBKTCZVRLT-LBPRGKRZSA-N 1 0 304.365 3.385 10 0 DGAERO Cc1ccc([C@H]([NH2+]CCOCCO)c2ccccc2Cl)cc1 ZINC000179881902 323216265 /nfs/dbraw/zinc/21/62/65/323216265.db2.gz VMNMSJVLVROWQO-SFHVURJKSA-N 1 0 319.832 3.336 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C(C)(C)C ZINC000180091589 323220817 /nfs/dbraw/zinc/22/08/17/323220817.db2.gz BRYGQLOVVYLVDL-BBRMVZONSA-N 1 0 311.491 3.353 10 0 DGAERO CCC[C@@H](C[N@@H+]1CCN(CCOC)[C@H](C)C1)c1ccccc1 ZINC000180086482 323220864 /nfs/dbraw/zinc/22/08/64/323220864.db2.gz WMQSAIAKCGGRJR-MJGOQNOKSA-N 1 0 304.478 3.223 10 0 DGAERO CCC[C@H](C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000180655790 323234560 /nfs/dbraw/zinc/23/45/60/323234560.db2.gz AMYJKWFMWFZBIG-DFQSSKMNSA-N 1 0 316.489 3.223 10 0 DGAERO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000180697159 323236090 /nfs/dbraw/zinc/23/60/90/323236090.db2.gz PETWRNKRXWBNGB-PGUXBMHVSA-N 1 0 300.368 3.483 10 0 DGAERO NC(=O)C[C@H]([NH2+]Cc1ccc2ccccc2n1)C1CCCCC1 ZINC000180968587 323242295 /nfs/dbraw/zinc/24/22/95/323242295.db2.gz HARWJLGTCKIWIP-SFHVURJKSA-N 1 0 311.429 3.149 10 0 DGAERO C[C@@H](C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C)CS(C)(=O)=O ZINC000181068407 323245167 /nfs/dbraw/zinc/24/51/67/323245167.db2.gz WUGDBICXDOZGCD-WFASDCNBSA-N 1 0 315.454 3.183 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cc(F)ccc23)C1 ZINC000181191011 323248130 /nfs/dbraw/zinc/24/81/30/323248130.db2.gz SBRXMHUSQDTYGW-ZDUSSCGKSA-N 1 0 317.408 3.157 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(Cl)c2F)CC[N@@H+]1C ZINC000181233183 323249709 /nfs/dbraw/zinc/24/97/09/323249709.db2.gz JHZCCFARLZBSHV-ZJUUUORDSA-N 1 0 316.779 3.173 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000181440517 323254266 /nfs/dbraw/zinc/25/42/66/323254266.db2.gz NFJQNXMONGMROM-SJORKVTESA-N 1 0 307.482 3.009 10 0 DGAERO CC[C@@H](NC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1nccs1 ZINC000181807325 323270027 /nfs/dbraw/zinc/27/00/27/323270027.db2.gz VCDACSNBOQVAQW-ZIAGYGMSSA-N 1 0 324.494 3.158 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000181963813 323277488 /nfs/dbraw/zinc/27/74/88/323277488.db2.gz WEZDTLULEJHHDL-KBPBESRZSA-N 1 0 321.367 3.364 10 0 DGAERO COc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000182045573 323281145 /nfs/dbraw/zinc/28/11/45/323281145.db2.gz APVPFVAWXZIZHW-HNNXBMFYSA-N 1 0 322.412 3.169 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)C1(C)C ZINC000182076436 323282558 /nfs/dbraw/zinc/28/25/58/323282558.db2.gz RWFZMRJCYQGLKN-IAOVAPTHSA-N 1 0 314.433 3.122 10 0 DGAERO CCSc1ccc([C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000182129822 323284091 /nfs/dbraw/zinc/28/40/91/323284091.db2.gz ZYKRLHQHRDLTIS-OLZOCXBDSA-N 1 0 315.504 3.130 10 0 DGAERO CC(C)C(=O)NCCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182169368 323285988 /nfs/dbraw/zinc/28/59/88/323285988.db2.gz MQHMSZNMJCMAOA-MRXNPFEDSA-N 1 0 312.404 3.414 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182245521 323288603 /nfs/dbraw/zinc/28/86/03/323288603.db2.gz HKPLRSUFXBXSEP-JKSUJKDBSA-N 1 0 310.482 3.153 10 0 DGAERO CC[N@@H+]1CCC[C@@H](Nc2nnc(Cc3ccc(F)cc3)s2)C1 ZINC000182271668 323290100 /nfs/dbraw/zinc/29/01/00/323290100.db2.gz WRASVYCVSFIEAF-CQSZACIVSA-N 1 0 320.437 3.164 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)s1 ZINC000182295184 323291028 /nfs/dbraw/zinc/29/10/28/323291028.db2.gz QWDJRGINGOHZAI-SNVBAGLBSA-N 1 0 319.382 3.114 10 0 DGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)CCCC(C)C)C2=O)n(C)n1 ZINC000182336990 323294617 /nfs/dbraw/zinc/29/46/17/323294617.db2.gz MCLNOEXUPOPNNS-ZBFHGGJFSA-N 1 0 320.481 3.028 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1)C(C)(C)C ZINC000182661812 323308309 /nfs/dbraw/zinc/30/83/09/323308309.db2.gz JBRPMIHUROFSAN-CQSZACIVSA-N 1 0 318.465 3.035 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000182707883 323309623 /nfs/dbraw/zinc/30/96/23/323309623.db2.gz ALWBCACZDCPIFR-OCCSQVGLSA-N 1 0 320.399 3.346 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000182958783 323317770 /nfs/dbraw/zinc/31/77/70/323317770.db2.gz IEUGKEYHIOCSHQ-RUXDESIVSA-N 1 0 320.399 3.346 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000183096296 323325180 /nfs/dbraw/zinc/32/51/80/323325180.db2.gz ZJUKGXDMRVYDDT-YJBOKZPZSA-N 1 0 318.509 3.382 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H](O)COC(C)(C)C)C2)c1 ZINC000183478537 323339042 /nfs/dbraw/zinc/33/90/42/323339042.db2.gz IURBWRTYCGGJPM-AEFFLSMTSA-N 1 0 305.462 3.269 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000183489271 323339961 /nfs/dbraw/zinc/33/99/61/323339961.db2.gz NHHAVOBFIBGLCV-GFCCVEGCSA-N 1 0 315.417 3.049 10 0 DGAERO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000183737656 323345965 /nfs/dbraw/zinc/34/59/65/323345965.db2.gz IUCMLTDYMBHWQD-BRWVUGGUSA-N 1 0 302.466 3.251 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000183733465 323346665 /nfs/dbraw/zinc/34/66/65/323346665.db2.gz VCRWEIVXWORRFH-JQHSSLGASA-N 1 0 321.509 3.329 10 0 DGAERO CC[C@H](NCC(=O)Nc1ccc(F)cc1F)c1nccs1 ZINC000185045845 323379273 /nfs/dbraw/zinc/37/92/73/323379273.db2.gz IXPXZOYPOJMNKX-NSHDSACASA-N 1 0 311.357 3.101 10 0 DGAERO Cc1cc(C)n2c(C[NH2+][C@H]3CCCO[C@H]3CC(C)C)cnc2n1 ZINC000185194077 323383836 /nfs/dbraw/zinc/38/38/36/323383836.db2.gz RPAYABLMGOMNJR-IRXDYDNUSA-N 1 0 316.449 3.029 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000185248726 323385207 /nfs/dbraw/zinc/38/52/07/323385207.db2.gz YQKJVRLWSFRLDQ-MRXNPFEDSA-N 1 0 323.868 3.384 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1csc(Br)c1 ZINC000185339712 323388491 /nfs/dbraw/zinc/38/84/91/323388491.db2.gz QOVZUPIICUCBBA-NSHDSACASA-N 1 0 306.269 3.349 10 0 DGAERO Cc1ccc2[nH+]ccc(N[C@H]3CCCN(c4cnn(C)c4)C3)c2c1 ZINC000185735874 323394134 /nfs/dbraw/zinc/39/41/34/323394134.db2.gz DURRASVLCOZKPQ-HNNXBMFYSA-N 1 0 321.428 3.358 10 0 DGAERO Cc1ccc(CCC(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000185865146 323396487 /nfs/dbraw/zinc/39/64/87/323396487.db2.gz WJVRRHRASQIEJS-UHFFFAOYSA-N 1 0 302.462 3.166 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000192500701 323453144 /nfs/dbraw/zinc/45/31/44/323453144.db2.gz WBMQWKXWNKGLHZ-IBGZPJMESA-N 1 0 310.397 3.375 10 0 DGAERO Cn1c2ccc(C[NH2+]CCCOC3CCCC3)cc2sc1=O ZINC000192519903 323454431 /nfs/dbraw/zinc/45/44/31/323454431.db2.gz KRVQYGCHMWJJFI-UHFFFAOYSA-N 1 0 320.458 3.039 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000385044561 323630063 /nfs/dbraw/zinc/63/00/63/323630063.db2.gz ZOYZHVZZEDJZTN-PKFCDNJMSA-N 1 0 314.223 3.113 10 0 DGAERO OCC1(C[NH2+]Cc2ccsc2Br)CCCC1 ZINC000388890514 323655180 /nfs/dbraw/zinc/65/51/80/323655180.db2.gz NJIRNAACYZDHIS-UHFFFAOYSA-N 1 0 304.253 3.153 10 0 DGAERO c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000581835566 324158646 /nfs/dbraw/zinc/15/86/46/324158646.db2.gz DQEJFQPZAPKRHC-VIKVFOODSA-N 1 0 314.410 3.427 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@@H](N3CCC=C(c4ccccn4)C3)C2)cc1 ZINC000582011054 324178972 /nfs/dbraw/zinc/17/89/72/324178972.db2.gz ODEKIBSILYGKMT-HXUWFJFHSA-N 1 0 319.452 3.445 10 0 DGAERO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(C2CCOCC2)CC1 ZINC000582507420 324238937 /nfs/dbraw/zinc/23/89/37/324238937.db2.gz QVXBHVFKTWQQBQ-QGZVFWFLSA-N 1 0 311.466 3.103 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cn1 ZINC000582521657 324239593 /nfs/dbraw/zinc/23/95/93/324239593.db2.gz UVTSDBLYOZLUCX-MJVIPROJSA-N 1 0 313.239 3.046 10 0 DGAERO NC(=O)C1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000037319429 331555659 /nfs/dbraw/zinc/55/56/59/331555659.db2.gz UEFHPDUTVDBFRS-AVVWSFFYSA-N 1 0 306.837 3.425 10 0 DGAERO O[C@H](c1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584596017 337374059 /nfs/dbraw/zinc/37/40/59/337374059.db2.gz IDLIPEVHTHEYBR-YESZJQIVSA-N 1 0 309.837 3.264 10 0 DGAERO C[NH2+]CCc1cc(OC)ccc1[C@@H](O)c1ccc(Cl)cc1 ZINC000584595927 337374114 /nfs/dbraw/zinc/37/41/14/337374114.db2.gz BAEDAJQRRJTLRT-KRWDZBQOSA-N 1 0 305.805 3.192 10 0 DGAERO O=C(NC1CCCC1)c1csc([C@@H]2C[C@@H]2[NH2+]C2CCC2)c1 ZINC000584635356 337374827 /nfs/dbraw/zinc/37/48/27/337374827.db2.gz VZSDNHFXEYBWDN-CABCVRRESA-N 1 0 304.459 3.419 10 0 DGAERO O=C(NC1CCCC1)c1cc([C@H]2C[C@H]2[NH2+]C2CCC2)cs1 ZINC000584630417 337376687 /nfs/dbraw/zinc/37/66/87/337376687.db2.gz WWNDTVLDEKXLOI-HUUCEWRRSA-N 1 0 304.459 3.419 10 0 DGAERO CC[NH+](CC)CCOc1ccc([C@@](C)(O)c2cccnc2)cc1 ZINC000584633959 337377549 /nfs/dbraw/zinc/37/75/49/337377549.db2.gz TVOWLIAXXCJBJU-LJQANCHMSA-N 1 0 314.429 3.058 10 0 DGAERO Cc1cccc2c(CC[NH3+])c(C(F)(F)Br)[nH]c21 ZINC000536960955 337868804 /nfs/dbraw/zinc/86/88/04/337868804.db2.gz UAZUXOVXVJVSGP-UHFFFAOYSA-N 1 0 303.150 3.422 10 0 DGAERO COc1cccc([C@@H]2[C@H](Nc3nccc(C)n3)CC[N@@H+]2C2CC2)c1 ZINC000302054312 533760764 /nfs/dbraw/zinc/76/07/64/533760764.db2.gz POPBEQZSAQCBCM-QZTJIDSGSA-N 1 0 324.428 3.184 10 0 DGAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(Br)s1 ZINC000133151693 533831169 /nfs/dbraw/zinc/83/11/69/533831169.db2.gz HOLFYPYCYXCRSU-VIFPVBQESA-N 1 0 304.253 3.324 10 0 DGAERO C[C@H]([NH2+]Cc1nc(COc2ccc(F)cc2)no1)C1CCCC1 ZINC000184656666 533943894 /nfs/dbraw/zinc/94/38/94/533943894.db2.gz KSXKKOGTHLVBAR-LBPRGKRZSA-N 1 0 319.380 3.456 10 0 DGAERO C[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443611072 533945460 /nfs/dbraw/zinc/94/54/60/533945460.db2.gz UBAHWGPOJVTZAA-MBNYWOFBSA-N 1 0 301.352 3.197 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000309840733 534005259 /nfs/dbraw/zinc/00/52/59/534005259.db2.gz CZLKHAVPTFREGZ-XXILOJSOSA-N 1 0 301.253 3.389 10 0 DGAERO C[C@H](C[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1)c1nccs1 ZINC000434985237 534023634 /nfs/dbraw/zinc/02/36/34/534023634.db2.gz HGXODTLIIVPLDF-LLVKDONJSA-N 1 0 302.403 3.362 10 0 DGAERO C[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000174322710 534081928 /nfs/dbraw/zinc/08/19/28/534081928.db2.gz LFOFHXVLCWLJCR-QFYYESIMSA-N 1 0 322.330 3.024 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2ccn(C)c2c1 ZINC000173833578 534159794 /nfs/dbraw/zinc/15/97/94/534159794.db2.gz OZUOCFPFHOUDQZ-CQSZACIVSA-N 1 0 314.433 3.174 10 0 DGAERO COC(=O)c1oc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1C ZINC000173843228 534373989 /nfs/dbraw/zinc/37/39/89/534373989.db2.gz CBDQZTQVTNJBNI-HNNXBMFYSA-N 1 0 321.417 3.298 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H](c2ccco2)c2ccccc2)CC1 ZINC000154752551 519645899 /nfs/dbraw/zinc/64/58/99/519645899.db2.gz HVHHFHDATISFEG-TVPLGVNVSA-N 1 0 312.413 3.406 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccccc2COC)CC1 ZINC000157752271 519842793 /nfs/dbraw/zinc/84/27/93/519842793.db2.gz DBEUOZGXAKANRB-UHFFFAOYSA-N 1 0 319.449 3.077 10 0 DGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157926299 520211338 /nfs/dbraw/zinc/21/13/38/520211338.db2.gz YUCRNHSUGALLAI-UKRRQHHQSA-N 1 0 322.497 3.292 10 0 DGAERO Clc1ccc(/C=C/C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000179465622 534636410 /nfs/dbraw/zinc/63/64/10/534636410.db2.gz FVKKOPFIUCQGBT-VQRJYJFOSA-N 1 0 302.809 3.282 10 0 DGAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccoc1Cl ZINC000192379317 534660386 /nfs/dbraw/zinc/66/03/86/534660386.db2.gz HVWQXNUOYCZZAE-UHFFFAOYSA-N 1 0 318.804 3.459 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(C)cc1 ZINC000089733027 522925013 /nfs/dbraw/zinc/92/50/13/522925013.db2.gz ARMIUOCHSPDSDI-QZTJIDSGSA-N 1 0 310.445 3.495 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156705746 523226738 /nfs/dbraw/zinc/22/67/38/523226738.db2.gz KSCIXHYUHWRJDZ-UHFFFAOYSA-N 1 0 300.789 3.215 10 0 DGAERO COc1ccc(CC[NH2+][C@H](C)CCn2cccn2)c(Cl)c1 ZINC000158974825 523977485 /nfs/dbraw/zinc/97/74/85/523977485.db2.gz LEXGYQCCXCTWEL-CYBMUJFWSA-N 1 0 307.825 3.156 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000153346971 524726337 /nfs/dbraw/zinc/72/63/37/524726337.db2.gz UUTMYZPRUMMSLP-GOSISDBHSA-N 1 0 309.457 3.078 10 0 DGAERO COc1ccccc1[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000157168605 524797025 /nfs/dbraw/zinc/79/70/25/524797025.db2.gz XHVPFWUMDBKSLQ-JTDSTZFVSA-N 1 0 324.424 3.028 10 0 DGAERO C[C@H]([NH3+])C(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000157121672 524824753 /nfs/dbraw/zinc/82/47/53/524824753.db2.gz QOKXXVHKCHKGMG-YVEFUNNKSA-N 1 0 314.454 3.180 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C2(C)CCCC2)cc1 ZINC000490133870 534857609 /nfs/dbraw/zinc/85/76/09/534857609.db2.gz WHVZCRXJHPNXIH-UHFFFAOYSA-N 1 0 302.418 3.482 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000158647573 526774756 /nfs/dbraw/zinc/77/47/56/526774756.db2.gz DLFJNHZSYNRQFL-ZIAGYGMSSA-N 1 0 321.490 3.356 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000432542795 527121731 /nfs/dbraw/zinc/12/17/31/527121731.db2.gz WMTIBASCVPQADD-INIZCTEOSA-N 1 0 322.493 3.249 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000154875835 527141364 /nfs/dbraw/zinc/14/13/64/527141364.db2.gz OLMUMIHQVRIDOG-HZPDHXFCSA-N 1 0 324.509 3.399 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000432583612 527143280 /nfs/dbraw/zinc/14/32/80/527143280.db2.gz HSTFNZYNRQFXDE-CRAIPNDOSA-N 1 0 318.461 3.191 10 0 DGAERO CC(=O)c1cc(NC(=O)NCC2([NH3+])CCCCCC2)ccc1F ZINC000415714220 527214397 /nfs/dbraw/zinc/21/43/97/527214397.db2.gz AAYLWWVZQOVYAP-UHFFFAOYSA-N 1 0 321.396 3.202 10 0 DGAERO [NH3+]Cc1ccc(C(=O)N[C@H](c2nccs2)c2ccccc2)cc1 ZINC000156362075 527253322 /nfs/dbraw/zinc/25/33/22/527253322.db2.gz UFFOJSFYRQOZDG-INIZCTEOSA-N 1 0 323.421 3.121 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000415452296 527306962 /nfs/dbraw/zinc/30/69/62/527306962.db2.gz OHNJNPHRIQOBIN-LBPRGKRZSA-N 1 0 323.824 3.196 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000415453680 527308903 /nfs/dbraw/zinc/30/89/03/527308903.db2.gz PNKJXFQWHUXMRC-ABAIWWIYSA-N 1 0 323.824 3.182 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)C1 ZINC000237901473 527356496 /nfs/dbraw/zinc/35/64/96/527356496.db2.gz WRAMOXVUMZGKEL-FCGDIQPGSA-N 1 0 314.473 3.422 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000237954056 527359343 /nfs/dbraw/zinc/35/93/43/527359343.db2.gz MRMDJERZWPKPHN-RTBURBONSA-N 1 0 324.424 3.009 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000433007546 527400700 /nfs/dbraw/zinc/40/07/00/527400700.db2.gz VKDRRSRCOCRABS-UQPDNBCRSA-N 1 0 314.429 3.385 10 0 DGAERO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1nc(C2CCCC2)no1 ZINC000429716117 527490049 /nfs/dbraw/zinc/49/00/49/527490049.db2.gz JVEDEIQHXPWJLM-IMJJTQAJSA-N 1 0 317.433 3.165 10 0 DGAERO C/C(=C/C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)c1cccc(Cl)c1 ZINC000328596410 527497977 /nfs/dbraw/zinc/49/79/77/527497977.db2.gz NPIDUTZBIPURDM-ZGJHENKESA-N 1 0 306.837 3.329 10 0 DGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C1(C)C ZINC000435128191 527802163 /nfs/dbraw/zinc/80/21/63/527802163.db2.gz ZSOAYDYKLBKRQA-HZPDHXFCSA-N 1 0 303.406 3.305 10 0 DGAERO CC1=C[C@H](C)C[C@H](C[NH2+]CCn2cc(Br)cn2)C1 ZINC000310960248 528144399 /nfs/dbraw/zinc/14/43/99/528144399.db2.gz BQJYMHIOIYDYGA-AAEUAGOBSA-N 1 0 312.255 3.228 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]CC(=O)N2CCCCC2)cc1 ZINC000178022368 528165185 /nfs/dbraw/zinc/16/51/85/528165185.db2.gz CORFDBKOLNWJSE-INIZCTEOSA-N 1 0 318.461 3.385 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2sccc2C)CC1 ZINC000164174384 528187276 /nfs/dbraw/zinc/18/72/76/528187276.db2.gz SOKRUNGNHPFGJT-HOTGVXAUSA-N 1 0 320.502 3.398 10 0 DGAERO CCC[NH+]1CCC(Nc2ncnc3cc(F)c(OC)cc32)CC1 ZINC000302303578 528206196 /nfs/dbraw/zinc/20/61/96/528206196.db2.gz NNYXSUQRHYWTFA-UHFFFAOYSA-N 1 0 318.396 3.064 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)Cc1c[nH]c2ccccc12 ZINC000443397620 528218743 /nfs/dbraw/zinc/21/87/43/528218743.db2.gz ZIZUQWCTVXPNBN-GOSISDBHSA-N 1 0 313.445 3.391 10 0 DGAERO CC(C)c1nn(C)cc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000435190099 528401393 /nfs/dbraw/zinc/40/13/93/528401393.db2.gz DXZAFDQCKOUUQI-AWEZNQCLSA-N 1 0 323.485 3.031 10 0 DGAERO CC(C)Cn1cc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cn1 ZINC000328621205 528710165 /nfs/dbraw/zinc/71/01/65/528710165.db2.gz HOFKEWXHHPPIHQ-RTBURBONSA-N 1 0 313.445 3.407 10 0 DGAERO CCN(Cc1cccs1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178721727 528851077 /nfs/dbraw/zinc/85/10/77/528851077.db2.gz RHOVRGOCMBWWRL-UHFFFAOYSA-N 1 0 323.506 3.400 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000157386124 528896378 /nfs/dbraw/zinc/89/63/78/528896378.db2.gz LILSEKIVLIKKTF-CHWSQXEVSA-N 1 0 323.403 3.089 10 0 DGAERO CCC1(CC)[C@H]([NH2+]Cc2nc(-c3ccoc3)no2)[C@H](C)[C@@H]1OC ZINC000191403948 529109871 /nfs/dbraw/zinc/10/98/71/529109871.db2.gz QGHAJHWLQBNRRN-GLQYFDAESA-N 1 0 319.405 3.259 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](C)OC)[C@H]1Sc1ccccc1 ZINC000459494297 535512599 /nfs/dbraw/zinc/51/25/99/535512599.db2.gz JGIGVQRMHPICJB-GMBUGEKQSA-N 1 0 309.475 3.338 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)C1 ZINC000471801878 536706038 /nfs/dbraw/zinc/70/60/38/536706038.db2.gz YLYILOSFXOEJOD-UXLLHSPISA-N 1 0 319.836 3.320 10 0 DGAERO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1(CF)CCOCC1 ZINC000453317259 537020826 /nfs/dbraw/zinc/02/08/26/537020826.db2.gz XZIMIRRSBXGERN-AWEZNQCLSA-N 1 0 311.372 3.178 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000037321054 545672773 /nfs/dbraw/zinc/67/27/73/545672773.db2.gz YVEYZNMICBARQI-VXGBXAGGSA-N 1 0 305.752 3.335 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000075762315 545732967 /nfs/dbraw/zinc/73/29/67/545732967.db2.gz NANJAPGLGVSQPS-GOSISDBHSA-N 1 0 312.413 3.319 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+]Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000075781217 545733136 /nfs/dbraw/zinc/73/31/36/545733136.db2.gz QEXMXDRIDVNVNC-QGZVFWFLSA-N 1 0 324.424 3.074 10 0 DGAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000079519515 545757856 /nfs/dbraw/zinc/75/78/56/545757856.db2.gz REGDKTPRUIVTDO-XPTSAGLGSA-N 1 0 301.217 3.313 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(C)(C)O)cc1Br ZINC000087818207 545806606 /nfs/dbraw/zinc/80/66/06/545806606.db2.gz LRBIHPWYWVQODD-VHSXEESVSA-N 1 0 316.239 3.268 10 0 DGAERO CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089454799 545814496 /nfs/dbraw/zinc/81/44/96/545814496.db2.gz NZLZJUXMZLGWMK-YPMHNXCESA-N 1 0 310.825 3.442 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000089454843 545814583 /nfs/dbraw/zinc/81/45/83/545814583.db2.gz GESQGQCQBQJSPZ-OCCSQVGLSA-N 1 0 301.415 3.124 10 0 DGAERO Cc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])ccc1Br ZINC000089449078 545815121 /nfs/dbraw/zinc/81/51/21/545815121.db2.gz MNOPGGLKIRZSNQ-JQWIXIFHSA-N 1 0 311.223 3.071 10 0 DGAERO c1oc2ccccc2c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120286229 545885736 /nfs/dbraw/zinc/88/57/36/545885736.db2.gz OZULOYPOVHFYFG-UHFFFAOYSA-N 1 0 308.385 3.299 10 0 DGAERO COc1ccccc1CC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000120945256 545890483 /nfs/dbraw/zinc/89/04/83/545890483.db2.gz RDOZEQPAJNBUER-QZTJIDSGSA-N 1 0 303.446 3.253 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000128969334 545939146 /nfs/dbraw/zinc/93/91/46/545939146.db2.gz BRSNCSRGQBZOQD-FHLIZLRMSA-N 1 0 318.461 3.101 10 0 DGAERO CN1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000149747054 545988237 /nfs/dbraw/zinc/98/82/37/545988237.db2.gz VILTXQVGLGVKJP-GFCCVEGCSA-N 1 0 317.658 3.286 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000136350212 545981469 /nfs/dbraw/zinc/98/14/69/545981469.db2.gz OFYNKDSXACSQSO-GXFFZTMASA-N 1 0 302.340 3.256 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)C[C@@H]2CCCO2)c(C)c1 ZINC000137029920 545982922 /nfs/dbraw/zinc/98/29/22/545982922.db2.gz GVOXZBZDYBQXFB-KRWDZBQOSA-N 1 0 318.461 3.441 10 0 DGAERO CCN(CC)[C@@H](C[NH2+][C@H]1CCCOC1)c1ccccc1Cl ZINC000153614387 546010475 /nfs/dbraw/zinc/01/04/75/546010475.db2.gz XCCIVTKQVNKDEG-YOEHRIQHSA-N 1 0 310.869 3.492 10 0 DGAERO Cc1cccc(S(=O)(=O)CCC[N@@H+]2C[C@H](C)CC[C@@H]2C)c1 ZINC000155293134 546026060 /nfs/dbraw/zinc/02/60/60/546026060.db2.gz FCAJBNYOIUIJEZ-CVEARBPZSA-N 1 0 309.475 3.279 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)COCc1ccccc1 ZINC000178064824 546126136 /nfs/dbraw/zinc/12/61/36/546126136.db2.gz UJTOMMUPHVROAV-YLJYHZDGSA-N 1 0 313.441 3.439 10 0 DGAERO O[C@@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)CN1CCCCC1 ZINC000179405321 546135490 /nfs/dbraw/zinc/13/54/90/546135490.db2.gz HAXSNAPPRPEHEY-FUHWJXTLSA-N 1 0 322.518 3.416 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180737244 546148617 /nfs/dbraw/zinc/14/86/17/546148617.db2.gz MVDZWSNDZDRALE-JTQLQIEISA-N 1 0 300.805 3.435 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC1(C)C ZINC000181045029 546151782 /nfs/dbraw/zinc/15/17/82/546151782.db2.gz SNONBZSJEZAXMA-HNNXBMFYSA-N 1 0 303.450 3.091 10 0 DGAERO CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000181917289 546161424 /nfs/dbraw/zinc/16/14/24/546161424.db2.gz MLHSHWQMRNIUNJ-APWZRJJASA-N 1 0 302.462 3.278 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)c1cccs1 ZINC000182560887 546166395 /nfs/dbraw/zinc/16/63/95/546166395.db2.gz HHJBCTUHSAFIGN-ILXRZTDVSA-N 1 0 324.490 3.110 10 0 DGAERO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc3cnccc32)cc1 ZINC000182997029 546170943 /nfs/dbraw/zinc/17/09/43/546170943.db2.gz FJZYKEGCJOBMPT-UHFFFAOYSA-N 1 0 319.408 3.226 10 0 DGAERO c1csc(N2CCC[N@@H+](Cc3cccc4cnccc43)CC2)n1 ZINC000183169842 546172841 /nfs/dbraw/zinc/17/28/41/546172841.db2.gz ZLSVFMXPZJGJIU-UHFFFAOYSA-N 1 0 324.453 3.404 10 0 DGAERO COc1ccc([C@H](CO)[N@H+](C)Cc2cccc3cnccc32)cc1 ZINC000183304020 546175112 /nfs/dbraw/zinc/17/51/12/546175112.db2.gz WRNKODSFHJHRMV-FQEVSTJZSA-N 1 0 322.408 3.409 10 0 DGAERO COC[C@@H]([NH2+]Cc1ccc(OCC(C)C)cc1)C1CCOCC1 ZINC000187803539 546202306 /nfs/dbraw/zinc/20/23/06/546202306.db2.gz DLOIPCVKRXMZLU-LJQANCHMSA-N 1 0 321.461 3.253 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3ccc(SC)cc3)CC2)[nH]1 ZINC000191686148 546226760 /nfs/dbraw/zinc/22/67/60/546226760.db2.gz HQKHBCBIVLJBSA-UHFFFAOYSA-N 1 0 316.474 3.469 10 0 DGAERO COc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1F ZINC000192661818 546235746 /nfs/dbraw/zinc/23/57/46/546235746.db2.gz WZVITJLXFNNDPY-LBPRGKRZSA-N 1 0 317.360 3.456 10 0 DGAERO Cc1cnccc1C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000230702283 546274879 /nfs/dbraw/zinc/27/48/79/546274879.db2.gz OAGSFRSIKBEVER-HOTGVXAUSA-N 1 0 319.449 3.173 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCOCC1 ZINC000249179074 546325491 /nfs/dbraw/zinc/32/54/91/546325491.db2.gz GYAIOJGILCCAMM-RDBSUJKOSA-N 1 0 309.372 3.139 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000252455960 546331682 /nfs/dbraw/zinc/33/16/82/546331682.db2.gz BLVOUGAXHVXLBT-GUTXKFCHSA-N 1 0 310.235 3.330 10 0 DGAERO C[C@H]1CCC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000255301925 546335395 /nfs/dbraw/zinc/33/53/95/546335395.db2.gz YWIGTTCIQHWBTF-BFZKSOEOSA-N 1 0 307.482 3.127 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000261987201 546338942 /nfs/dbraw/zinc/33/89/42/546338942.db2.gz QKLITPJKQRKBKD-YSVLISHTSA-N 1 0 306.837 3.425 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cscc2Br)CCO1 ZINC000285876250 546400085 /nfs/dbraw/zinc/40/00/85/546400085.db2.gz JGGPUHOEJLWTPQ-ZJUUUORDSA-N 1 0 304.253 3.415 10 0 DGAERO C[C@H]([NH2+]CC1(O)CCSCC1)c1ccc(F)c(Cl)c1 ZINC000305108410 546442758 /nfs/dbraw/zinc/44/27/58/546442758.db2.gz DUZMSBVUUZLSJN-JTQLQIEISA-N 1 0 303.830 3.388 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(Br)ccc1Cl)C(C)(C)O ZINC000309755597 546451298 /nfs/dbraw/zinc/45/12/98/546451298.db2.gz HNFYJTRNXQQDLF-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000312278955 546453374 /nfs/dbraw/zinc/45/33/74/546453374.db2.gz SHIHYTSFIVHOGX-YGRLFVJLSA-N 1 0 316.214 3.229 10 0 DGAERO c1c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085870 546469009 /nfs/dbraw/zinc/46/90/09/546469009.db2.gz SRTXMYDOGPAWPE-SJLPKXTDSA-N 1 0 311.429 3.306 10 0 DGAERO CC[C@@H]([NH2+]Cc1cc(Br)c(O)c(OC)c1)C1CC1 ZINC000323698203 546477089 /nfs/dbraw/zinc/47/70/89/546477089.db2.gz IFWJRRAEKCFOAJ-GFCCVEGCSA-N 1 0 314.223 3.442 10 0 DGAERO C[C@@H](COCc1ccccc1)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000390795129 546756053 /nfs/dbraw/zinc/75/60/53/546756053.db2.gz ZMXMMSYLBZNEMD-YJBOKZPZSA-N 1 0 318.461 3.006 10 0 DGAERO COC[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1)OC ZINC000512279337 546950705 /nfs/dbraw/zinc/95/07/05/546950705.db2.gz MHZKCKQPNXLPIF-MOPGFXCFSA-N 1 0 305.462 3.429 10 0 DGAERO CN1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C(C)(C)C1 ZINC000675075142 548149624 /nfs/dbraw/zinc/14/96/24/548149624.db2.gz LJLCQBAOZKBEHE-CYBMUJFWSA-N 1 0 315.230 3.018 10 0 DGAERO CCN(CC1CCC(C[NH3+])CC1)C(=O)OCc1ccccc1 ZINC000725244516 549811268 /nfs/dbraw/zinc/81/12/68/549811268.db2.gz XPHNUYFLQHUOHE-UHFFFAOYSA-N 1 0 304.434 3.410 10 0 DGAERO Cc1cc(-n2cc([C@H]3CCCC[NH2+]3)nn2)ccc1Br ZINC000725263189 549811989 /nfs/dbraw/zinc/81/19/89/549811989.db2.gz UUTNDJWXGRQHFT-CYBMUJFWSA-N 1 0 321.222 3.153 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000382643618 574527900 /nfs/dbraw/zinc/52/79/00/574527900.db2.gz HHLSVEJNZRUIRP-KANFNMMFSA-N 1 0 312.457 3.156 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(C1)[NH2+]CCc1ccoc12 ZINC000724101367 563496501 /nfs/dbraw/zinc/49/65/01/563496501.db2.gz PQDXFTILJZNLPK-CXAGYDPISA-N 1 0 306.406 3.088 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1ccoc12 ZINC000724110087 563496522 /nfs/dbraw/zinc/49/65/22/563496522.db2.gz JNOGVZXADNHJQZ-ACJLOTCBSA-N 1 0 320.433 3.336 10 0 DGAERO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2occc21 ZINC000725242705 563525733 /nfs/dbraw/zinc/52/57/33/563525733.db2.gz LMQBRFBPMFQSAS-YOEHRIQHSA-N 1 0 308.422 3.190 10 0 DGAERO CCCCCCOCC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000730774300 574535878 /nfs/dbraw/zinc/53/58/78/574535878.db2.gz ZSBWRMGPAPORGX-FGTMMUONSA-N 1 0 324.509 3.447 10 0 DGAERO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C1=COCCC1 ZINC000730774701 574535922 /nfs/dbraw/zinc/53/59/22/574535922.db2.gz HSZIBPYZOOORLG-UHFFFAOYSA-N 1 0 316.445 3.051 10 0 DGAERO C[C@H](CNC(=O)CC/C=C/c1ccccc1)[NH+]1CCCCC1 ZINC000737811654 574537902 /nfs/dbraw/zinc/53/79/02/574537902.db2.gz SXRUZOYTTSOZBN-USAXFFIDSA-N 1 0 300.446 3.471 10 0 DGAERO COc1cccc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675053186 563856391 /nfs/dbraw/zinc/85/63/91/563856391.db2.gz HKBGEIRANRKOPY-HIFRSBDPSA-N 1 0 306.406 3.095 10 0 DGAERO c1cn(-c2ccc(CNc3cc[nH+]c4ccccc34)cc2)cn1 ZINC000731992700 574564662 /nfs/dbraw/zinc/56/46/62/574564662.db2.gz OTELTFYKAVFJDC-UHFFFAOYSA-N 1 0 300.365 3.455 10 0 DGAERO C/C(=C\C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732058126 574565800 /nfs/dbraw/zinc/56/58/00/574565800.db2.gz WFIKHFVKGZCOJF-GOFCXVBSSA-N 1 0 304.409 3.220 10 0 DGAERO C/C(=C/C(=O)NC[C@@H](C)[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732059374 574566147 /nfs/dbraw/zinc/56/61/47/574566147.db2.gz FDKUEGVMZODYQZ-QKXCFHHRSA-N 1 0 304.409 3.220 10 0 DGAERO C/C(=C\C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000732085664 574566172 /nfs/dbraw/zinc/56/61/72/574566172.db2.gz NHVQSUUZRMUREF-NKAIQICCSA-N 1 0 316.420 3.316 10 0 DGAERO C/C(=C\C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000732085669 574566235 /nfs/dbraw/zinc/56/62/35/574566235.db2.gz NHVQSUUZRMUREF-XOVFHRFOSA-N 1 0 316.420 3.316 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C(\C)c1cccc(F)c1 ZINC000732140158 574567109 /nfs/dbraw/zinc/56/71/09/574567109.db2.gz XPQNYPVORZGVAS-GWKQRERASA-N 1 0 304.409 3.220 10 0 DGAERO C/C(=C\C(=O)NCC[NH+]1CCCCCC1)c1cccc(F)c1 ZINC000732268976 574569684 /nfs/dbraw/zinc/56/96/84/574569684.db2.gz MSQLPPQLEVMZHN-FYWRMAATSA-N 1 0 304.409 3.221 10 0 DGAERO C/C(=C\C(=O)N1CCC(C[NH+](C)C)CC1)c1cccc(F)c1 ZINC000732308077 574571589 /nfs/dbraw/zinc/57/15/89/574571589.db2.gz TYJMMRIEVRKZQZ-SDNWHVSQSA-N 1 0 304.409 3.029 10 0 DGAERO CCCNC(=S)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741499543 574959979 /nfs/dbraw/zinc/95/99/79/574959979.db2.gz UETNQLNXIUZIBW-GXTWGEPZSA-N 1 0 311.520 3.005 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)/C=C/c2ccccc2F)CC1 ZINC000742098087 574981101 /nfs/dbraw/zinc/98/11/01/574981101.db2.gz HDEYRZMHJAMTIQ-BQYQJAHWSA-N 1 0 304.409 3.077 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)/C=C(\C)c2ccc(F)cc2)CC1 ZINC000742098262 574981139 /nfs/dbraw/zinc/98/11/39/574981139.db2.gz HWIUQFDCNFVLSQ-CCEZHUSRSA-N 1 0 318.436 3.467 10 0 DGAERO COC(=O)c1ccc2c(cnn2C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1 ZINC000742154273 574982993 /nfs/dbraw/zinc/98/29/93/574982993.db2.gz GZQXVMPIIKUVCT-UONOGXRCSA-N 1 0 315.417 3.291 10 0 DGAERO COC(=O)c1ccc2c(cnn2C[NH+]2CCC(C(C)C)CC2)c1 ZINC000742169568 574983467 /nfs/dbraw/zinc/98/34/67/574983467.db2.gz SXSOQAKXXXKWKQ-UHFFFAOYSA-N 1 0 315.417 3.148 10 0 DGAERO Cc1ncc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)s1 ZINC000742386726 574995408 /nfs/dbraw/zinc/99/54/08/574995408.db2.gz ADKLHYGWCXBJQZ-INIZCTEOSA-N 1 0 312.442 3.259 10 0 DGAERO C[C@H]1CCN(C(=S)NC2CC[NH+](C)CC2)[C@H](c2ccco2)C1 ZINC000743067021 575034286 /nfs/dbraw/zinc/03/42/86/575034286.db2.gz QKKWATJMWRYSJZ-ZFWWWQNUSA-N 1 0 321.490 3.021 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)[NH2+]CCc1sccc12 ZINC000709176001 575944008 /nfs/dbraw/zinc/94/40/08/575944008.db2.gz IIYRFJDMFCQBDL-SJCJKPOMSA-N 1 0 322.474 3.366 10 0 DGAERO Cn1c2ccccc2n(C[N@H+](CC2CC2)C2CCCCC2)c1=O ZINC000727823821 576147528 /nfs/dbraw/zinc/14/75/28/576147528.db2.gz KZPCUGUXUWYTBQ-UHFFFAOYSA-N 1 0 313.445 3.342 10 0 DGAERO COc1ccccc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053514 576214996 /nfs/dbraw/zinc/21/49/96/576214996.db2.gz IKYPRTLGACFVLA-GXTWGEPZSA-N 1 0 306.406 3.013 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@@H]2CSCCS2)ccc1F ZINC000154182447 620645694 /nfs/dbraw/zinc/64/56/94/620645694.db2.gz FUEBVSOGOZZFLK-ZYHUDNBSSA-N 1 0 301.452 3.334 10 0 DGAERO CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000154307771 620659824 /nfs/dbraw/zinc/65/98/24/620659824.db2.gz WBVIRNDDDXPUGX-OAHLLOKOSA-N 1 0 311.491 3.361 10 0 DGAERO c1nn(-c2ccccc2)nc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000111398768 620706908 /nfs/dbraw/zinc/70/69/08/620706908.db2.gz DCDHJUZJXXXKBQ-LPHOPBHVSA-N 1 0 304.397 3.161 10 0 DGAERO NC(=O)C1([NH2+]Cc2cc(Cl)nc3ccccc23)CCCCC1 ZINC000154749568 620714549 /nfs/dbraw/zinc/71/45/49/620714549.db2.gz WZERLZLIDVJVAY-UHFFFAOYSA-N 1 0 317.820 3.166 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)c1ccccc1 ZINC000154851885 620731537 /nfs/dbraw/zinc/73/15/37/620731537.db2.gz JDGCDCOKVBFXQG-VQTJNVASSA-N 1 0 310.441 3.471 10 0 DGAERO CC(C)(C)OC(=O)N(Cc1ccco1)c1ccc(C[NH3+])nc1 ZINC000757134180 617644148 /nfs/dbraw/zinc/64/41/48/617644148.db2.gz KXTQCVVPPDEBRY-UHFFFAOYSA-N 1 0 303.362 3.075 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000300915209 617716200 /nfs/dbraw/zinc/71/62/00/617716200.db2.gz DLLINDYXPLKFJN-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000119777613 617978242 /nfs/dbraw/zinc/97/82/42/617978242.db2.gz ASNSYWWNUHSVOM-OAHLLOKOSA-N 1 0 308.397 3.317 10 0 DGAERO O[C@@H](C[NH2+]C[C@H]1CCCS1)c1ccc(C(F)(F)F)cc1 ZINC000149947945 619121634 /nfs/dbraw/zinc/12/16/34/619121634.db2.gz WFJBIMCBZOQBQA-OLZOCXBDSA-N 1 0 305.365 3.224 10 0 DGAERO C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000151358615 620442525 /nfs/dbraw/zinc/44/25/25/620442525.db2.gz OESUCEMQVZYOEQ-FUXBKTLASA-N 1 0 323.170 3.011 10 0 DGAERO CCCCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@H]([NH3+])C1 ZINC000152270079 620500362 /nfs/dbraw/zinc/50/03/62/620500362.db2.gz XVUCFEOMOWSYMY-HBWSCVEGSA-N 1 0 312.413 3.348 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000153601203 620584643 /nfs/dbraw/zinc/58/46/43/620584643.db2.gz DHQCKGNZODHMPY-UHFFFAOYSA-N 1 0 318.248 3.172 10 0 DGAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2nccn2C)oc1C ZINC000858008046 621143272 /nfs/dbraw/zinc/14/32/72/621143272.db2.gz HLITXVJZLKSZTK-UKPHBRMFSA-N 1 0 317.433 3.448 10 0 DGAERO CS[C@H](C)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000103336551 621342101 /nfs/dbraw/zinc/34/21/01/621342101.db2.gz XTLAHEYXYOHKMJ-CQSZACIVSA-N 1 0 307.459 3.193 10 0 DGAERO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)o1 ZINC000117094939 621351906 /nfs/dbraw/zinc/35/19/06/621351906.db2.gz PMRPXLRQKUPFNC-CYBMUJFWSA-N 1 0 305.761 3.364 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)cc1 ZINC000119719374 621718719 /nfs/dbraw/zinc/71/87/19/621718719.db2.gz CTCUWOXHKUZUHC-CQSZACIVSA-N 1 0 322.449 3.131 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000120574505 621929571 /nfs/dbraw/zinc/92/95/71/621929571.db2.gz JHWCKJOGZKVBTJ-MNOVXSKESA-N 1 0 306.841 3.367 10 0 DGAERO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@H+](CCc2cccs2)C1 ZINC000121126950 622144088 /nfs/dbraw/zinc/14/40/88/622144088.db2.gz UERKCHYLXBMDAO-BLLLJJGKSA-N 1 0 309.381 3.377 10 0 DGAERO C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C1(C)CC1 ZINC000122353382 622300110 /nfs/dbraw/zinc/30/01/10/622300110.db2.gz VMVGBWJLFWXLNJ-HNNXBMFYSA-N 1 0 301.478 3.500 10 0 DGAERO CCC[N@@H+](Cc1ccc(OC(C)=O)cc1)C[C@@H]1CCCCO1 ZINC000123118798 622465086 /nfs/dbraw/zinc/46/50/86/622465086.db2.gz UEFBKMDRHSUPPY-SFHVURJKSA-N 1 0 305.418 3.393 10 0 DGAERO CC(=O)CC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126160937 623710870 /nfs/dbraw/zinc/71/08/70/623710870.db2.gz DRZGZXWIPQBOGJ-LBPRGKRZSA-N 1 0 302.201 3.426 10 0 DGAERO CC[N@H+](CCC(=O)OC)Cc1cc(Cl)nc2ccccc12 ZINC000128411357 624955986 /nfs/dbraw/zinc/95/59/86/624955986.db2.gz RUVZGWALBIEZBC-UHFFFAOYSA-N 1 0 306.793 3.273 10 0 DGAERO CSCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130779213 625902161 /nfs/dbraw/zinc/90/21/61/625902161.db2.gz CDZCDKNUNPOZAQ-ZIAGYGMSSA-N 1 0 316.511 3.365 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000757183797 626753223 /nfs/dbraw/zinc/75/32/23/626753223.db2.gz HASAHPDCLUJBHP-CHWSQXEVSA-N 1 0 315.335 3.350 10 0 DGAERO C[N@H+](CCCOC(=O)/C=C/c1cccnc1)Cc1ccccc1 ZINC000133311975 626780946 /nfs/dbraw/zinc/78/09/46/626780946.db2.gz PXUIZVDZNJQZHV-ZHACJKMWSA-N 1 0 310.397 3.160 10 0 DGAERO Fc1ccc(SCc2noc(CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000134617837 626883872 /nfs/dbraw/zinc/88/38/72/626883872.db2.gz BJMJWVXFMCQGKE-LLVKDONJSA-N 1 0 307.394 3.043 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)o1 ZINC000886095524 627102139 /nfs/dbraw/zinc/10/21/39/627102139.db2.gz ZBRONBQTCSPKRR-DWQUBVKVSA-N 1 0 317.433 3.367 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000220405964 627196968 /nfs/dbraw/zinc/19/69/68/627196968.db2.gz ZUOXFOABRGNMKW-BFHYXJOUSA-N 1 0 323.437 3.470 10 0 DGAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1cc(F)ccc1F ZINC000221046305 627213250 /nfs/dbraw/zinc/21/32/50/627213250.db2.gz NHHFPJHGILDCSO-UHFFFAOYSA-N 1 0 314.376 3.358 10 0 DGAERO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000300053082 627253006 /nfs/dbraw/zinc/25/30/06/627253006.db2.gz MGDWDNGYLLFYAG-KKUMJFAQSA-N 1 0 314.470 3.085 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000300903829 627284538 /nfs/dbraw/zinc/28/45/38/627284538.db2.gz CMSARRSGDUJTSD-HSBZDZAISA-N 1 0 314.470 3.225 10 0 DGAERO CCOc1ccccc1C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000105433931 630710249 /nfs/dbraw/zinc/71/02/49/630710249.db2.gz ACPHZDVPSQZSEF-UHFFFAOYSA-N 1 0 308.422 3.090 10 0 DGAERO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CSC(C)(C)C)C1 ZINC000109112845 632059506 /nfs/dbraw/zinc/05/95/06/632059506.db2.gz RDVWKPWUJBBKFC-AWEZNQCLSA-N 1 0 306.475 3.038 10 0 DGAERO S=C1OCCN1C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185008329 660198146 /nfs/dbraw/zinc/19/81/46/660198146.db2.gz LCBDCQVZTXEODW-UHFFFAOYSA-N 1 0 310.850 3.094 10 0 DGAERO NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc2ccccc2n1 ZINC000073103043 660241434 /nfs/dbraw/zinc/24/14/34/660241434.db2.gz PVOPZOLMKAOQOR-UHFFFAOYSA-N 1 0 319.408 3.112 10 0 DGAERO CC(C)(C)SCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000073555754 660375625 /nfs/dbraw/zinc/37/56/25/660375625.db2.gz YHCFPOUDTKPVGG-UHFFFAOYSA-N 1 0 320.502 3.430 10 0 DGAERO O=C(CN1CCC[C@H](C(F)(F)F)C1)NC1CCCCCCC1 ZINC000057869661 660443523 /nfs/dbraw/zinc/44/35/23/660443523.db2.gz WCOSCLYDEZTDFH-ZDUSSCGKSA-N 1 0 320.399 3.490 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1nccs1 ZINC000721936570 660448652 /nfs/dbraw/zinc/44/86/52/660448652.db2.gz BYPSPAOVMMIDLV-GRYCIOLGSA-N 1 0 311.451 3.049 10 0 DGAERO Cc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)C)C3)n1C ZINC000011935532 660487820 /nfs/dbraw/zinc/48/78/20/660487820.db2.gz LTTXMKMACATRTN-LJQANCHMSA-N 1 0 318.509 3.063 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1ccc2c(c1)OCO2 ZINC000132935571 660603662 /nfs/dbraw/zinc/60/36/62/660603662.db2.gz JYEIHWSJTDVWMT-BONVTDFDSA-N 1 0 321.323 3.078 10 0 DGAERO C[C@H](CCNCc1ccc(Br)c(F)c1)[NH+](C)C ZINC000700544157 660628740 /nfs/dbraw/zinc/62/87/40/660628740.db2.gz FJTBOXTWLFEFFC-SNVBAGLBSA-N 1 0 303.219 3.018 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000700784550 660634735 /nfs/dbraw/zinc/63/47/35/660634735.db2.gz RDPBCBHTKPXMJA-ZFWWWQNUSA-N 1 0 323.412 3.004 10 0 DGAERO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000700749356 660634864 /nfs/dbraw/zinc/63/48/64/660634864.db2.gz LRDDIANCDVJLBO-WZRBSPASSA-N 1 0 312.866 3.077 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1ccc(F)cc1)C2 ZINC000701863058 660690481 /nfs/dbraw/zinc/69/04/81/660690481.db2.gz CVJXMXIAUBLGMM-UHFFFAOYSA-N 1 0 320.408 3.315 10 0 DGAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1nccs1 ZINC000701854684 660690639 /nfs/dbraw/zinc/69/06/39/660690639.db2.gz GIJUYFRJLVRZTF-OPGSHWCFSA-N 1 0 323.462 3.193 10 0 DGAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccccn1 ZINC000701856762 660690679 /nfs/dbraw/zinc/69/06/79/660690679.db2.gz YNYBGLPEXGUPRW-VNSJNIRKSA-N 1 0 317.433 3.132 10 0 DGAERO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)cc(C)c1O ZINC000701925412 660695560 /nfs/dbraw/zinc/69/55/60/660695560.db2.gz UYMJHHBMEGVIAL-AWEZNQCLSA-N 1 0 322.449 3.354 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000701992283 660696523 /nfs/dbraw/zinc/69/65/23/660696523.db2.gz HOKJVKOKZSITOH-HZSPNIEDSA-N 1 0 314.495 3.260 10 0 DGAERO Cc1cc(Br)ccc1-c1noc(C2=CC[C@H]([NH3+])C2)n1 ZINC000702834514 660743030 /nfs/dbraw/zinc/74/30/30/660743030.db2.gz MHYCTGKDWZDBLY-NSHDSACASA-N 1 0 320.190 3.312 10 0 DGAERO COC1CC(C[N@H+](C)Cc2ccc(Br)cc2F)C1 ZINC000703335001 660776595 /nfs/dbraw/zinc/77/65/95/660776595.db2.gz AYXAMHAAHUMFKX-UHFFFAOYSA-N 1 0 316.214 3.445 10 0 DGAERO [NH3+]C1CC(C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000703615989 660785216 /nfs/dbraw/zinc/78/52/16/660785216.db2.gz KUWZSOGQTQNJKT-UHFFFAOYSA-N 1 0 306.456 3.076 10 0 DGAERO CC[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)C1CCCCC1 ZINC000704182065 660804830 /nfs/dbraw/zinc/80/48/30/660804830.db2.gz ULOFXTMXLPVJDW-GDBMZVCRSA-N 1 0 301.496 3.292 10 0 DGAERO Brc1cccnc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000704282526 660806795 /nfs/dbraw/zinc/80/67/95/660806795.db2.gz VIZBYFCAQKGBOP-MNOVXSKESA-N 1 0 313.264 3.314 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@@H]2CCCSC2)CCN1C(=O)OC(C)(C)C ZINC000704618814 660813200 /nfs/dbraw/zinc/81/32/00/660813200.db2.gz CASOVSDTFMSVEQ-HZSPNIEDSA-N 1 0 314.495 3.260 10 0 DGAERO Brc1cncc(C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000704845961 660822679 /nfs/dbraw/zinc/82/26/79/660822679.db2.gz QGCAITALIGJEAW-SNVBAGLBSA-N 1 0 301.253 3.077 10 0 DGAERO C[NH+]1CCC(Nc2nc3cc(Br)ccc3o2)CC1 ZINC000705931385 660839926 /nfs/dbraw/zinc/83/99/26/660839926.db2.gz QZGAXWHVMCDHTN-UHFFFAOYSA-N 1 0 310.195 3.096 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000705305290 660837371 /nfs/dbraw/zinc/83/73/71/660837371.db2.gz WCYCXGKQVNTVJX-CJNGLKHVSA-N 1 0 308.466 3.412 10 0 DGAERO Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000705562721 660837595 /nfs/dbraw/zinc/83/75/95/660837595.db2.gz QGLTVZJLSOIORS-HZPDHXFCSA-N 1 0 319.449 3.173 10 0 DGAERO Cc1ncccc1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000705562724 660837627 /nfs/dbraw/zinc/83/76/27/660837627.db2.gz QGLTVZJLSOIORS-JKSUJKDBSA-N 1 0 319.449 3.173 10 0 DGAERO CC(C)(C)CC[NH2+]C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000705609694 660837682 /nfs/dbraw/zinc/83/76/82/660837682.db2.gz RUCLJDFPXVYZGQ-UHFFFAOYSA-N 1 0 314.470 3.086 10 0 DGAERO Cc1n[nH]cc1C[NH2+]C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC000705567770 660837724 /nfs/dbraw/zinc/83/77/24/660837724.db2.gz DUJGZOKYTXEAKS-UHFFFAOYSA-N 1 0 322.453 3.035 10 0 DGAERO C[N@H+]1CC=C(CNc2nc3cc(Br)ccc3o2)CC1 ZINC000705909904 660840935 /nfs/dbraw/zinc/84/09/35/660840935.db2.gz JCFCECUYCXHTHE-UHFFFAOYSA-N 1 0 322.206 3.264 10 0 DGAERO Cc1ccoc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707903680 660915245 /nfs/dbraw/zinc/91/52/45/660915245.db2.gz YTVCNUWVPIBRAZ-ZNMIVQPWSA-N 1 0 320.433 3.466 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)C1 ZINC000709485731 660928436 /nfs/dbraw/zinc/92/84/36/660928436.db2.gz WZCSVHUFAUZQEE-HUUCEWRRSA-N 1 0 324.465 3.077 10 0 DGAERO CC[C@@H](C[NH2+][C@H]1CCCSCC1)NC(=O)OC(C)(C)C ZINC000709562658 660929423 /nfs/dbraw/zinc/92/94/23/660929423.db2.gz QSAQWZONCGEPKD-STQMWFEESA-N 1 0 302.484 3.165 10 0 DGAERO C[C@@H]([NH2+]CCc1ccns1)c1cncc(Br)c1 ZINC000709985547 660931799 /nfs/dbraw/zinc/93/17/99/660931799.db2.gz VUGBEHSGGVJKFZ-SECBINFHSA-N 1 0 312.236 3.194 10 0 DGAERO COC[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000710456330 660932440 /nfs/dbraw/zinc/93/24/40/660932440.db2.gz DOVVYDCMSCLXRF-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO CCc1ccc([C@H](C)N2CCc3sc(C[NH3+])nc3C2)s1 ZINC000710239259 660932599 /nfs/dbraw/zinc/93/25/99/660932599.db2.gz LVDWQPZKXMQCNK-JTQLQIEISA-N 1 0 307.488 3.345 10 0 DGAERO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000711354378 660948183 /nfs/dbraw/zinc/94/81/83/660948183.db2.gz AGECIOSGARRPMV-LLVKDONJSA-N 1 0 300.374 3.185 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2([NH2+]Cc2cncs2)C1 ZINC000711385660 660949310 /nfs/dbraw/zinc/94/93/10/660949310.db2.gz QPBHNNGABFWZIX-LRDDRELGSA-N 1 0 323.462 3.022 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCCC23CC3)C1 ZINC000711405230 660950378 /nfs/dbraw/zinc/95/03/78/660950378.db2.gz FDCCSQCIACDZTG-SOUVJXGZSA-N 1 0 308.466 3.460 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000711442372 660953054 /nfs/dbraw/zinc/95/30/54/660953054.db2.gz MFJMIRNEZOEIRW-ZUEPYMLJSA-N 1 0 314.495 3.165 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000711601468 660959440 /nfs/dbraw/zinc/95/94/40/660959440.db2.gz HIVVCDGSDAFOCY-ZFWWWQNUSA-N 1 0 310.850 3.076 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3ccncc3)CCC[C@@H]12 ZINC000711637722 660959885 /nfs/dbraw/zinc/95/98/85/660959885.db2.gz CACJJPMETOAVDN-CRAIPNDOSA-N 1 0 317.433 3.103 10 0 DGAERO Cn1ccc(C[NH2+][C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c1 ZINC000711643049 660961049 /nfs/dbraw/zinc/96/10/49/660961049.db2.gz YYJVIFYDWPJQLG-YJBOKZPZSA-N 1 0 319.449 3.047 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3ccns3)CCC[C@@H]12 ZINC000711699044 660961870 /nfs/dbraw/zinc/96/18/70/660961870.db2.gz SVFOPTRPYJGLDT-CZUORRHYSA-N 1 0 323.462 3.165 10 0 DGAERO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000717923823 660972860 /nfs/dbraw/zinc/97/28/60/660972860.db2.gz QVYHKIAOURBQAG-AFPNSQJFSA-N 1 0 306.353 3.072 10 0 DGAERO CCOc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000304348835 655532421 /nfs/dbraw/zinc/53/24/21/655532421.db2.gz WSMYKXCHDYSBAX-AWEZNQCLSA-N 1 0 322.449 3.430 10 0 DGAERO Clc1ccc(Cc2noc([C@H]3CCC[NH2+]C3)n2)cc1Cl ZINC000050038019 655631830 /nfs/dbraw/zinc/63/18/30/655631830.db2.gz XHIHNHUFBMTKCI-JTQLQIEISA-N 1 0 312.200 3.434 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000237162123 655657388 /nfs/dbraw/zinc/65/73/88/655657388.db2.gz SJXNFAKTTIIVSZ-UHFFFAOYSA-N 1 0 308.834 3.379 10 0 DGAERO C[C@@](O)(C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1cccs1 ZINC000175998294 655691261 /nfs/dbraw/zinc/69/12/61/655691261.db2.gz KZICBBAPFMTQAZ-QGZVFWFLSA-N 1 0 313.426 3.136 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cnc2ccccn12)c1ccccc1 ZINC000160888139 655691833 /nfs/dbraw/zinc/69/18/33/655691833.db2.gz ATGXNGRFIHXTAR-PKOBYXMFSA-N 1 0 321.424 3.422 10 0 DGAERO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(F)cc1Cl ZINC000723848829 655724712 /nfs/dbraw/zinc/72/47/12/655724712.db2.gz ZVEFAJLYXHNMFV-JTQLQIEISA-N 1 0 321.845 3.201 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1CC[NH3+] ZINC000723890007 655728946 /nfs/dbraw/zinc/72/89/46/655728946.db2.gz DCILWIWFIOKGJH-NXEZZACHSA-N 1 0 316.232 3.442 10 0 DGAERO CC(C)(C)NC(=[NH2+])NCc1ccc(-c2ccccc2C#N)cc1 ZINC000090989651 655731421 /nfs/dbraw/zinc/73/14/21/655731421.db2.gz DKRWXPQYEHQFCS-UHFFFAOYSA-N 1 0 306.413 3.428 10 0 DGAERO CC(C)CNC(=[NH2+])NCc1ccc(-c2ccccc2C#N)cc1 ZINC000090989662 655731457 /nfs/dbraw/zinc/73/14/57/655731457.db2.gz DOPHTVQCMYYZTG-UHFFFAOYSA-N 1 0 306.413 3.286 10 0 DGAERO CC[C@H]([NH2+]Cc1ccncc1Br)[C@@H]1CCCOC1 ZINC000724012816 655736233 /nfs/dbraw/zinc/73/62/33/655736233.db2.gz QCPINWMOPVWBHK-OCCSQVGLSA-N 1 0 313.239 3.139 10 0 DGAERO Cc1scc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1C ZINC000724060023 655739678 /nfs/dbraw/zinc/73/96/78/655739678.db2.gz SGGITMOJIJGHNG-JTQLQIEISA-N 1 0 317.323 3.403 10 0 DGAERO C[C@](O)(C[NH2+]Cc1ccc(Cl)s1)C(F)(F)C(F)(F)F ZINC000724114290 655743486 /nfs/dbraw/zinc/74/34/86/655743486.db2.gz MUVVPVGBYKQWDK-QMMMGPOBSA-N 1 0 323.714 3.440 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1)c1cccc(Cl)c1Cl ZINC000724601805 655792005 /nfs/dbraw/zinc/79/20/05/655792005.db2.gz ZUDDZLOEDDRLBU-AYGWYOGXSA-N 1 0 316.228 3.448 10 0 DGAERO Cn1cc(C[NH2+]C(C)(C)CC(C)(C)C)c(Br)n1 ZINC000712483281 661189031 /nfs/dbraw/zinc/18/90/31/661189031.db2.gz RDFRWRCIHALHAW-UHFFFAOYSA-N 1 0 302.260 3.487 10 0 DGAERO CC1(C)CC[NH2+]CCN1Cc1csc(Br)c1 ZINC000712540091 661189353 /nfs/dbraw/zinc/18/93/53/661189353.db2.gz LDOKSGTUUZLNAC-UHFFFAOYSA-N 1 0 303.269 3.085 10 0 DGAERO CCN1CC[C@H]1C[NH2+][C@@H](C)c1sccc1Br ZINC000712573706 661189513 /nfs/dbraw/zinc/18/95/13/661189513.db2.gz VEJWSWXMCPPIMX-UWVGGRQHSA-N 1 0 303.269 3.255 10 0 DGAERO Brc1ccsc1CC[NH2+]CC[C@@H]1CCOC1 ZINC000713047100 661189820 /nfs/dbraw/zinc/18/98/20/661189820.db2.gz WCUPZCJIKDTPSX-SNVBAGLBSA-N 1 0 304.253 3.069 10 0 DGAERO C[C@@H]([NH2+]CCc1sccc1Br)[C@@H]1CCOC1 ZINC000713094569 661190256 /nfs/dbraw/zinc/19/02/56/661190256.db2.gz SCHFLOZHXIGZBN-NXEZZACHSA-N 1 0 304.253 3.068 10 0 DGAERO C[C@H]([NH2+]CCc1sccc1Br)c1cnccn1 ZINC000713104983 661190265 /nfs/dbraw/zinc/19/02/65/661190265.db2.gz PMOAZVSIOSZPPO-VIFPVBQESA-N 1 0 312.236 3.194 10 0 DGAERO Brc1ccsc1CC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000713047862 661190284 /nfs/dbraw/zinc/19/02/84/661190284.db2.gz ZAVZVLDMUIFJDI-ZYHUDNBSSA-N 1 0 316.264 3.210 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)s1 ZINC000235173409 655822273 /nfs/dbraw/zinc/82/22/73/655822273.db2.gz XDXKUYWRMIESCB-SKDRFNHKSA-N 1 0 300.855 3.357 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000724917749 655829486 /nfs/dbraw/zinc/82/94/86/655829486.db2.gz LYBQTARPHCKFKX-YXMLORGKSA-N 1 0 316.626 3.106 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000724973187 655841312 /nfs/dbraw/zinc/84/13/12/655841312.db2.gz AJXBVQQPTYHAFG-YXMLORGKSA-N 1 0 303.349 3.302 10 0 DGAERO COCC1CC([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000713918153 661194686 /nfs/dbraw/zinc/19/46/86/661194686.db2.gz SMIMZRYAZSXOIA-JHANDDDOSA-N 1 0 310.235 3.451 10 0 DGAERO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cn(C)nc2Br)C1 ZINC000713862010 661194898 /nfs/dbraw/zinc/19/48/98/661194898.db2.gz VKTHALVPFMFZDG-CMPLNLGQSA-N 1 0 300.244 3.193 10 0 DGAERO COCC1CC([NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000713928849 661195085 /nfs/dbraw/zinc/19/50/85/661195085.db2.gz RGTGNESQOMLBLN-UHFFFAOYSA-N 1 0 320.177 3.242 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000309690158 655876117 /nfs/dbraw/zinc/87/61/17/655876117.db2.gz CRXHQUZBJDGDHI-GHMZBOCLSA-N 1 0 314.376 3.356 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1Cl ZINC000714249557 661198429 /nfs/dbraw/zinc/19/84/29/661198429.db2.gz IOVNYTOCOGXFRY-LSJOCFKGSA-N 1 0 322.257 3.220 10 0 DGAERO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000714342945 661198681 /nfs/dbraw/zinc/19/86/81/661198681.db2.gz SFKZGWWLOUJMHO-CYBMUJFWSA-N 1 0 322.257 3.050 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714362389 661198903 /nfs/dbraw/zinc/19/89/03/661198903.db2.gz XTQNTUKPYNYHGF-KLHDSHLOSA-N 1 0 301.496 3.004 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C(\C)c1cccc(F)c1 ZINC000177003432 655886230 /nfs/dbraw/zinc/88/62/30/655886230.db2.gz RZAAAEOSIGOLMR-GWKQRERASA-N 1 0 304.409 3.172 10 0 DGAERO CCOC(C[NH2+][C@@H](C)c1cccc(Br)c1)OCC ZINC000091948667 655887828 /nfs/dbraw/zinc/88/78/28/655887828.db2.gz BUGXKNVGDNGPKP-NSHDSACASA-N 1 0 316.239 3.499 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(F)c(Cl)c1 ZINC000714367504 661199350 /nfs/dbraw/zinc/19/93/50/661199350.db2.gz TXXMEADJZPHWTG-PWSUYJOCSA-N 1 0 319.829 3.097 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)s1 ZINC000714364145 661199384 /nfs/dbraw/zinc/19/93/84/661199384.db2.gz GQUFFTKFKCMFDA-ZDUSSCGKSA-N 1 0 315.504 3.103 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1csc(Cl)c1 ZINC000714377257 661199408 /nfs/dbraw/zinc/19/94/08/661199408.db2.gz UNBXZLWJZPDXRY-KOLCDFICSA-N 1 0 307.868 3.019 10 0 DGAERO Clc1cc(Br)cnc1NCC[C@H]1CCC[NH2+]C1 ZINC000236051753 655943708 /nfs/dbraw/zinc/94/37/08/655943708.db2.gz XEXROMLOGCRZTO-SECBINFHSA-N 1 0 318.646 3.299 10 0 DGAERO C/C(=C/c1cccc(Cl)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000255882075 655947581 /nfs/dbraw/zinc/94/75/81/655947581.db2.gz AEYNYESHTJXFTF-IVOILVROSA-N 1 0 304.821 3.050 10 0 DGAERO Cc1ccc(OCC[N@@H+](C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000066347949 655947826 /nfs/dbraw/zinc/94/78/26/655947826.db2.gz OTAVDGYRAVYUHN-GOSISDBHSA-N 1 0 303.377 3.178 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C\c3ccccc3Cl)CC[C@@H]21 ZINC000255886815 655949612 /nfs/dbraw/zinc/94/96/12/655949612.db2.gz VWYFSYCNYDAPSV-OSSRSAFMSA-N 1 0 318.848 3.296 10 0 DGAERO COC(C)(C)C[C@@H](C)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000715133371 661209507 /nfs/dbraw/zinc/20/95/07/661209507.db2.gz ISPQTUMEFKWFLP-MCIONIFRSA-N 1 0 314.470 3.083 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CS1 ZINC000715131302 661209661 /nfs/dbraw/zinc/20/96/61/661209661.db2.gz CWHFXFHGVAEJLY-YIYPIFLZSA-N 1 0 314.495 3.163 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000311714797 656011926 /nfs/dbraw/zinc/01/19/26/656011926.db2.gz WRTGYTVPGSPFOJ-ZIAGYGMSSA-N 1 0 323.437 3.217 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC[C@H]2CCCS2)C1 ZINC000715633674 661213240 /nfs/dbraw/zinc/21/32/40/661213240.db2.gz FFNKSTUSPGCJBW-HZSPNIEDSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000715705090 661213594 /nfs/dbraw/zinc/21/35/94/661213594.db2.gz YVWGKTKDDXQCOV-GHMZBOCLSA-N 1 0 313.829 3.126 10 0 DGAERO CCCn1cc([C@H](C)[NH2+][C@H](C)CCOCc2ccccc2)nn1 ZINC000715922217 661215867 /nfs/dbraw/zinc/21/58/67/661215867.db2.gz OKMQHTUQKHVNQO-CVEARBPZSA-N 1 0 316.449 3.334 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccns1 ZINC000716045800 661217140 /nfs/dbraw/zinc/21/71/40/661217140.db2.gz CDNRHVIDPJTLPL-WDEREUQCSA-N 1 0 311.451 3.049 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccns1 ZINC000715973144 661217382 /nfs/dbraw/zinc/21/73/82/661217382.db2.gz BIIWUTJRNYKJOW-YCPHGPKFSA-N 1 0 301.459 3.457 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccns1 ZINC000715980563 661217811 /nfs/dbraw/zinc/21/78/11/661217811.db2.gz ZXXQTKCZYRXDFT-ZBFHGGJFSA-N 1 0 301.459 3.458 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccns1 ZINC000715991405 661218007 /nfs/dbraw/zinc/21/80/07/661218007.db2.gz CXEBKUXPNLFLKT-RYUDHWBXSA-N 1 0 311.451 3.193 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000120214138 656098939 /nfs/dbraw/zinc/09/89/39/656098939.db2.gz STZAZQOXVJEPRV-VIFPVBQESA-N 1 0 306.237 3.028 10 0 DGAERO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(Cl)cn2)cc1 ZINC000182685201 656107570 /nfs/dbraw/zinc/10/75/70/656107570.db2.gz DGEQBYSDMKLOFR-GFCCVEGCSA-N 1 0 301.777 3.316 10 0 DGAERO CC[C@H](C)OCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183184176 656111184 /nfs/dbraw/zinc/11/11/84/656111184.db2.gz IMDCFBYJNUHELN-DOTOQJQBSA-N 1 0 305.418 3.009 10 0 DGAERO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000716605115 661227077 /nfs/dbraw/zinc/22/70/77/661227077.db2.gz NNXRKTJGJMLTSV-SECBINFHSA-N 1 0 301.217 3.111 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cccc(Br)c1F ZINC000716832673 661229470 /nfs/dbraw/zinc/22/94/70/661229470.db2.gz YZGFVDMIKHKXEX-ONGXEEELSA-N 1 0 304.203 3.227 10 0 DGAERO COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000189560401 656155733 /nfs/dbraw/zinc/15/57/33/656155733.db2.gz ZSXQYWUJJFTTBG-ZDUSSCGKSA-N 1 0 312.207 3.240 10 0 DGAERO CO[C@H]1C[N@H+](Cn2ccc(-c3ccc(F)cc3)n2)CC[C@H]1C ZINC000190203277 656159522 /nfs/dbraw/zinc/15/95/22/656159522.db2.gz HTYUAOUNXZVLBB-DYVFJYSZSA-N 1 0 303.381 3.004 10 0 DGAERO Cc1nc(Cl)ccc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000194625960 656202891 /nfs/dbraw/zinc/20/28/91/656202891.db2.gz KGLUCASEMRXYBC-CYBMUJFWSA-N 1 0 324.856 3.285 10 0 DGAERO Brc1cnc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)s1 ZINC000716997560 661236714 /nfs/dbraw/zinc/23/67/14/661236714.db2.gz FEPSUWLNBNITLJ-GUBZILKMSA-N 1 0 301.253 3.431 10 0 DGAERO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2F)CC[C@H]1C(F)(F)F ZINC000717151675 661255840 /nfs/dbraw/zinc/25/58/40/661255840.db2.gz HXZPPJPKGFGAKT-ZYHUDNBSSA-N 1 0 310.722 3.191 10 0 DGAERO FC(F)(F)c1cscc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000717195521 661256405 /nfs/dbraw/zinc/25/64/05/661256405.db2.gz XRJDVMHEAFJTJJ-UHFFFAOYSA-N 1 0 303.309 3.284 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cncc(Br)c1 ZINC000717625165 661265824 /nfs/dbraw/zinc/26/58/24/661265824.db2.gz LVZFZRWXORMZPH-GXFFZTMASA-N 1 0 313.239 3.310 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1F ZINC000723594667 656495639 /nfs/dbraw/zinc/49/56/39/656495639.db2.gz NPWCSMJGANGFLJ-DTWKUNHWSA-N 1 0 319.207 3.261 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000723954246 656504709 /nfs/dbraw/zinc/50/47/09/656504709.db2.gz XROQVBUQOOUDND-UFYCRDLUSA-N 1 0 316.489 3.446 10 0 DGAERO Cc1cnc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC000724059011 656507461 /nfs/dbraw/zinc/50/74/61/656507461.db2.gz GIJQFJNNRZRMTK-UHFFFAOYSA-N 1 0 319.449 3.091 10 0 DGAERO C[C@H](Cc1cccs1)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724059898 656507494 /nfs/dbraw/zinc/50/74/94/656507494.db2.gz RURAFTYRWVTZPV-PSASIEDQSA-N 1 0 317.323 3.217 10 0 DGAERO CC(C)(C)c1coc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000724364097 656515444 /nfs/dbraw/zinc/51/54/44/656515444.db2.gz LMJCJKPGOCWKPQ-MRXNPFEDSA-N 1 0 313.445 3.336 10 0 DGAERO C[C@@H]([NH2+]Cc1cnc(Cl)s1)c1ccc(-n2cncn2)cc1 ZINC000181918531 656521672 /nfs/dbraw/zinc/52/16/72/656521672.db2.gz QHBHSVWSXNIBDN-SNVBAGLBSA-N 1 0 319.821 3.228 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1)c1cc(Cl)ccc1Cl ZINC000724597939 656522060 /nfs/dbraw/zinc/52/20/60/656522060.db2.gz FCJQWMGGKSNEMM-NPZRNVLXSA-N 1 0 316.228 3.448 10 0 DGAERO COC[C@H](C)CNc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000187597937 656605382 /nfs/dbraw/zinc/60/53/82/656605382.db2.gz BYUFFBXIMHGCGB-MRXNPFEDSA-N 1 0 319.493 3.159 10 0 DGAERO CN(C)Cc1csc(C[NH2+]CCc2ccc(Cl)cc2)n1 ZINC000722378626 656618881 /nfs/dbraw/zinc/61/88/81/656618881.db2.gz LDINDDLHRSLTQT-UHFFFAOYSA-N 1 0 309.866 3.190 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(C)o1 ZINC000106547937 656618935 /nfs/dbraw/zinc/61/89/35/656618935.db2.gz VSMJWAZFHHDJAR-UKRRQHHQSA-N 1 0 319.449 3.274 10 0 DGAERO COC1CC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000230674440 656895313 /nfs/dbraw/zinc/89/53/13/656895313.db2.gz JTDAMCRCBNXNRB-WLYUNCDWSA-N 1 0 310.235 3.073 10 0 DGAERO CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000261637911 656937956 /nfs/dbraw/zinc/93/79/56/656937956.db2.gz DPGZTGPNFKSJOZ-PBHICJAKSA-N 1 0 318.461 3.429 10 0 DGAERO OC[C@@]1(c2ccccc2)CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261660106 656950142 /nfs/dbraw/zinc/95/01/42/656950142.db2.gz FPOLCVBPTBQNQY-OAQYLSRUSA-N 1 0 322.452 3.181 10 0 DGAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)CSC(C)(C)C ZINC000248058219 657025566 /nfs/dbraw/zinc/02/55/66/657025566.db2.gz YPDWKBQNYBQQOK-UHFFFAOYSA-N 1 0 308.491 3.109 10 0 DGAERO CCCN(CC(=O)Nc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC000261750191 657076409 /nfs/dbraw/zinc/07/64/09/657076409.db2.gz ORPBTRNOYNGOTM-UHFFFAOYSA-N 1 0 317.477 3.213 10 0 DGAERO CC(C)(C)c1csc(C[NH2+][C@@H](CO)Cc2ccccc2)n1 ZINC000094965971 657423805 /nfs/dbraw/zinc/42/38/05/657423805.db2.gz LLAGCNVUJMYANO-CQSZACIVSA-N 1 0 304.459 3.134 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000262479340 657602412 /nfs/dbraw/zinc/60/24/12/657602412.db2.gz JVXKZMSYBHGALI-GFCCVEGCSA-N 1 0 316.323 3.144 10 0 DGAERO CCOc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000304348837 657626918 /nfs/dbraw/zinc/62/69/18/657626918.db2.gz WSMYKXCHDYSBAX-CQSZACIVSA-N 1 0 322.449 3.430 10 0 DGAERO CCCCC[C@H](C)NC(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000054324423 657820473 /nfs/dbraw/zinc/82/04/73/657820473.db2.gz FWVSWHVRRITETB-INIZCTEOSA-N 1 0 312.498 3.208 10 0 DGAERO Cc1cc(Cl)ccc1CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720878818 658156174 /nfs/dbraw/zinc/15/61/74/658156174.db2.gz UOVJVOWWAFOWKE-YPMHNXCESA-N 1 0 306.759 3.217 10 0 DGAERO CC1(C[NH2+]Cc2ncc(Br)s2)CC(F)(F)C1 ZINC000720922949 658236450 /nfs/dbraw/zinc/23/64/50/658236450.db2.gz LJDXRMPFMNANKB-UHFFFAOYSA-N 1 0 311.195 3.431 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000721895934 658758938 /nfs/dbraw/zinc/75/89/38/658758938.db2.gz BPKKRDFHAHVLPF-CEXWTWQISA-N 1 0 316.489 3.302 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cccc(O)c1 ZINC000721884251 658796807 /nfs/dbraw/zinc/79/68/07/658796807.db2.gz UETZWCSSSBLMSX-DVOMOZLQSA-N 1 0 320.433 3.298 10 0 DGAERO c1cn(-c2ncccc2C[NH2+]C2C3CC4CC(C3)CC2C4)cn1 ZINC000192946093 658823522 /nfs/dbraw/zinc/82/35/22/658823522.db2.gz CNPDBUINEFFDCS-UHFFFAOYSA-N 1 0 308.429 3.182 10 0 DGAERO Clc1cccc(Cl)c1Cc1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000044265868 658876670 /nfs/dbraw/zinc/87/66/70/658876670.db2.gz UQJJSDTWHVGGFH-SECBINFHSA-N 1 0 312.200 3.434 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(F)c1Br ZINC000157004516 658978539 /nfs/dbraw/zinc/97/85/39/658978539.db2.gz RGPUPAGJIUYMLV-MFKMUULPSA-N 1 0 315.230 3.290 10 0 DGAERO Cc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc(C)c1O ZINC000225883610 659085959 /nfs/dbraw/zinc/08/59/59/659085959.db2.gz NIJZEYLHLQDSJB-HNNXBMFYSA-N 1 0 320.433 3.108 10 0 DGAERO CC[N@H+](CN1C(=O)NC2(CCCCCC2)C1=O)C1CCCCC1 ZINC000058590746 659089795 /nfs/dbraw/zinc/08/97/95/659089795.db2.gz UPHWHILOHZJUDD-UHFFFAOYSA-N 1 0 321.465 3.243 10 0 DGAERO CN(Cc1cccc(F)c1Br)[C@@H]1CCC[NH2+]CC1 ZINC000226468564 659119835 /nfs/dbraw/zinc/11/98/35/659119835.db2.gz SXNRRNHJPLVQGC-GFCCVEGCSA-N 1 0 315.230 3.162 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000227754432 659162845 /nfs/dbraw/zinc/16/28/45/659162845.db2.gz TZPAFDGROUVNCK-SNAWJCMRSA-N 1 0 315.417 3.338 10 0 DGAERO Cc1sc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1Br ZINC000227778470 659163593 /nfs/dbraw/zinc/16/35/93/659163593.db2.gz QTTOCVCRRWLXDZ-PELKAZGASA-N 1 0 304.253 3.476 10 0 DGAERO Cc1sc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1Br ZINC000227778478 659163854 /nfs/dbraw/zinc/16/38/54/659163854.db2.gz QTTOCVCRRWLXDZ-PRHODGIISA-N 1 0 304.253 3.476 10 0 DGAERO COc1ccc(C)cc1C[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000227760244 659163873 /nfs/dbraw/zinc/16/38/73/659163873.db2.gz DPXVKMLBSCDNEE-VOTSOKGWSA-N 1 0 320.433 3.174 10 0 DGAERO Cc1sc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1Br ZINC000227807600 659164647 /nfs/dbraw/zinc/16/46/47/659164647.db2.gz POMQVXHIUKJFOZ-UWVGGRQHSA-N 1 0 304.253 3.212 10 0 DGAERO C/C(=C\C(=O)N1CCC([NH+](C)C)CC1)c1ccccc1Cl ZINC000171184425 659265268 /nfs/dbraw/zinc/26/52/68/659265268.db2.gz XESSIHOVTIPSRG-OUKQBFOZSA-N 1 0 306.837 3.296 10 0 DGAERO COc1ccc(/C=C\CN2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)cc1 ZINC000229878620 659287944 /nfs/dbraw/zinc/28/79/44/659287944.db2.gz LRSAXZQRKXQYBA-OXUXSNCKSA-N 1 0 302.462 3.226 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1cccc(Br)c1 ZINC000230204546 659317346 /nfs/dbraw/zinc/31/73/46/659317346.db2.gz GOZNAUKIMGUCQS-ZWNOBZJWSA-N 1 0 314.223 3.251 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N(CN1CCOC1=S)C1CC1 ZINC000063125142 659366412 /nfs/dbraw/zinc/36/64/12/659366412.db2.gz YIMYZEMRXSYORB-LLVKDONJSA-N 1 0 310.850 3.440 10 0 DGAERO S=C1OCCN1CN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000173378845 659383638 /nfs/dbraw/zinc/38/36/38/659383638.db2.gz BBGJKCQFGCPKJY-SFHVURJKSA-N 1 0 324.449 3.361 10 0 DGAERO C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(C(C)(C)C)cc1 ZINC000170832098 659916967 /nfs/dbraw/zinc/91/69/67/659916967.db2.gz TWCFNCCYRHPTAC-WMLDXEAASA-N 1 0 317.477 3.391 10 0 DGAERO CC1(C)CCC[N@@H+]1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000170872767 659952004 /nfs/dbraw/zinc/95/20/04/659952004.db2.gz URIXCFXHBXQEDT-UHFFFAOYSA-N 1 0 301.434 3.100 10 0 DGAERO CSCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000068994635 659972245 /nfs/dbraw/zinc/97/22/45/659972245.db2.gz UEIZKHGVOQAGKR-NSHDSACASA-N 1 0 302.237 3.225 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]CCCc1nc3c(s1)CCCC3)CCC2 ZINC000353499444 659990688 /nfs/dbraw/zinc/99/06/88/659990688.db2.gz UFZNDCKUGWRDNV-ZDUSSCGKSA-N 1 0 316.474 3.345 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)CCC2 ZINC000353531486 659996707 /nfs/dbraw/zinc/99/67/07/659996707.db2.gz VGRPRSKMVNNZGZ-WMZOPIPTSA-N 1 0 310.445 3.041 10 0 DGAERO O[C@]1(C[NH2+]Cc2cccc3cnccc32)CCc2ccccc21 ZINC000181542218 660006212 /nfs/dbraw/zinc/00/62/12/660006212.db2.gz FNQOOSMJOGWXKF-FQEVSTJZSA-N 1 0 304.393 3.158 10 0 DGAERO CC(C)OCCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181539070 660006897 /nfs/dbraw/zinc/00/68/97/660006897.db2.gz IAIIQPUKFIRBGH-QGZVFWFLSA-N 1 0 305.418 3.009 10 0 DGAERO C[C@H]1CN(Cc2cc3ccccc3nc2Cl)C[C@H]1[NH+](C)C ZINC000251756592 660008180 /nfs/dbraw/zinc/00/81/80/660008180.db2.gz LPJMFOKBZOJYJA-BLLLJJGKSA-N 1 0 303.837 3.270 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000182079261 660032812 /nfs/dbraw/zinc/03/28/12/660032812.db2.gz HUCXSZXSURBFKY-WMZOPIPTSA-N 1 0 303.446 3.340 10 0 DGAERO O=C(CCc1ccncc1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183194801 660104229 /nfs/dbraw/zinc/10/42/29/660104229.db2.gz WLBKFWAVHQENFU-IBGZPJMESA-N 1 0 324.424 3.222 10 0 DGAERO CCCS(=O)(=O)CC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000183212445 660104452 /nfs/dbraw/zinc/10/44/52/660104452.db2.gz KUPDDQWTXJAZIO-INIZCTEOSA-N 1 0 309.475 3.115 10 0 DGAERO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)[C@H]3CCCO3)c2cc1C ZINC000183202317 660104534 /nfs/dbraw/zinc/10/45/34/660104534.db2.gz XBTYVTJBMDTGKZ-XJKSGUPXSA-N 1 0 301.386 3.067 10 0 DGAERO Cc1ncsc1C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000183206043 660104819 /nfs/dbraw/zinc/10/48/19/660104819.db2.gz WWOYBWIYJYGAIB-HNNXBMFYSA-N 1 0 316.426 3.273 10 0 DGAERO Cc1ncsc1C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000183206022 660104841 /nfs/dbraw/zinc/10/48/41/660104841.db2.gz WWOYBWIYJYGAIB-OAHLLOKOSA-N 1 0 316.426 3.273 10 0 DGAERO CO[C@H](C)CCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000183230082 660105633 /nfs/dbraw/zinc/10/56/33/660105633.db2.gz DAVCKZLPQMYPDT-MRXNPFEDSA-N 1 0 319.445 3.257 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Cl)cc(OC)c1O ZINC000184056432 660154233 /nfs/dbraw/zinc/15/42/33/660154233.db2.gz TZQLFMFOHCQWRB-LSDHHAIUSA-N 1 0 324.852 3.113 10 0 DGAERO CN1CCC[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000040672786 661832232 /nfs/dbraw/zinc/83/22/32/661832232.db2.gz UFDQNJFLRAVVPH-OGVSOVDVSA-N 1 0 323.278 3.379 10 0 DGAERO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccccc1Cl ZINC000075860521 661953979 /nfs/dbraw/zinc/95/39/79/661953979.db2.gz GCTCSICKXSVEGD-PBHICJAKSA-N 1 0 310.869 3.180 10 0 DGAERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccccc1OC(F)(F)F ZINC000190653740 662039658 /nfs/dbraw/zinc/03/96/58/662039658.db2.gz AQUARIPTZBEJGB-LLVKDONJSA-N 1 0 319.323 3.389 10 0 DGAERO C=C[C@](C)(CCOC)COC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000191173121 662056028 /nfs/dbraw/zinc/05/60/28/662056028.db2.gz WKOUOSUIZNAXQD-SJLPKXTDSA-N 1 0 311.466 3.269 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191658912 662076152 /nfs/dbraw/zinc/07/61/52/662076152.db2.gz SPNUIEACVFKTRQ-LLVKDONJSA-N 1 0 324.387 3.422 10 0 DGAERO COc1c(C)cc(C[N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)cc1C ZINC000191982092 662085016 /nfs/dbraw/zinc/08/50/16/662085016.db2.gz OARURVMMVMDYNA-MRXNPFEDSA-N 1 0 317.429 3.230 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1sccc1Cl ZINC000193084698 662122415 /nfs/dbraw/zinc/12/24/15/662122415.db2.gz DRDAAMIEPHXKNE-UHFFFAOYSA-N 1 0 304.843 3.406 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000193370210 662131941 /nfs/dbraw/zinc/13/19/41/662131941.db2.gz WMPPXRHFAPIAMP-RDTXWAMCSA-N 1 0 301.430 3.443 10 0 DGAERO CC1CCN(c2ccc(NC(=O)C[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000082335223 662180962 /nfs/dbraw/zinc/18/09/62/662180962.db2.gz VVFYNMKEWARLOV-MRXNPFEDSA-N 1 0 315.461 3.203 10 0 DGAERO Cn1nccc1CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000083032102 662192888 /nfs/dbraw/zinc/19/28/88/662192888.db2.gz RYTZZKFDVGZFMZ-UHFFFAOYSA-N 1 0 321.384 3.349 10 0 DGAERO C[C@]1(c2nc(-c3cc(Br)cs3)no2)CCC[NH2+]1 ZINC000083735681 662196384 /nfs/dbraw/zinc/19/63/84/662196384.db2.gz ZZGNMCUSNMYOQT-LLVKDONJSA-N 1 0 314.208 3.159 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(C(F)(F)F)s1 ZINC000717924867 662205687 /nfs/dbraw/zinc/20/56/87/662205687.db2.gz VXCFKWSGGPDXRQ-DTWKUNHWSA-N 1 0 306.353 3.086 10 0 DGAERO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717938846 662210843 /nfs/dbraw/zinc/21/08/43/662210843.db2.gz QXOWAALNTLMAHK-VIFPVBQESA-N 1 0 308.369 3.334 10 0 DGAERO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(C(F)(F)F)s1 ZINC000717947263 662212082 /nfs/dbraw/zinc/21/20/82/662212082.db2.gz VTAYOPVSZCNJQQ-SECBINFHSA-N 1 0 311.369 3.205 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(C(F)(F)F)s1 ZINC000717967475 662213378 /nfs/dbraw/zinc/21/33/78/662213378.db2.gz JGKRYYKLQJHSQK-XHNCKOQMSA-N 1 0 306.353 3.085 10 0 DGAERO COC[C@@H](CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1)OC ZINC000717959499 662213385 /nfs/dbraw/zinc/21/33/85/662213385.db2.gz WOXCAHSIECWWHC-VHSXEESVSA-N 1 0 311.369 3.469 10 0 DGAERO CON1CCC([NH2+][C@@H](C)c2ccc(C(F)(F)F)s2)CC1 ZINC000717958410 662213458 /nfs/dbraw/zinc/21/34/58/662213458.db2.gz QVQRRKWDPSUQSZ-VIFPVBQESA-N 1 0 308.369 3.443 10 0 DGAERO C[C@H]([NH2+]CCc1cnccn1)c1ccc(C(F)(F)F)s1 ZINC000717967163 662213556 /nfs/dbraw/zinc/21/35/56/662213556.db2.gz HIGXDRIMCZZUBS-VIFPVBQESA-N 1 0 301.337 3.450 10 0 DGAERO Cc1coc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000718028514 662214481 /nfs/dbraw/zinc/21/44/81/662214481.db2.gz BJMIDAMJRGTOGS-UHFFFAOYSA-N 1 0 306.406 3.245 10 0 DGAERO Cc1coc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000718033107 662215278 /nfs/dbraw/zinc/21/52/78/662215278.db2.gz YZXCJXMWNABMAJ-KGLIPLIRSA-N 1 0 308.422 3.466 10 0 DGAERO Cc1nc(C[NH2+]CCCC(C)(C)CO)sc1Br ZINC000719259638 662272278 /nfs/dbraw/zinc/27/22/78/662272278.db2.gz UINBALNGJRKPRT-UHFFFAOYSA-N 1 0 321.284 3.102 10 0 DGAERO CN(Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C)(O)CC1)C1CC1 ZINC000718081307 662222018 /nfs/dbraw/zinc/22/20/18/662222018.db2.gz ZGLCRDTVSOHZLS-GPJFCIFZSA-N 1 0 316.489 3.180 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000245536934 662234943 /nfs/dbraw/zinc/23/49/43/662234943.db2.gz GDKIVYWTFVGCGA-SJLPKXTDSA-N 1 0 318.461 3.231 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000089451586 662243569 /nfs/dbraw/zinc/24/35/69/662243569.db2.gz MASFFRQGXVCGOQ-CABZTGNLSA-N 1 0 300.374 3.315 10 0 DGAERO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000718350435 662253282 /nfs/dbraw/zinc/25/32/82/662253282.db2.gz DNPXPEMPEBSTJG-OCCSQVGLSA-N 1 0 313.239 3.281 10 0 DGAERO CSCC1CCC([NH2+][C@H]2CCCN3CCSC[C@H]23)CC1 ZINC000718494717 662257076 /nfs/dbraw/zinc/25/70/76/662257076.db2.gz UVZCGOBBZMGONQ-SSHXOBKSSA-N 1 0 314.564 3.078 10 0 DGAERO O[C@@H](C[NH2+]CCc1ccccc1)c1cccc(Br)c1 ZINC000037860040 662259786 /nfs/dbraw/zinc/25/97/86/662259786.db2.gz OJOJEFOXLDBDEX-INIZCTEOSA-N 1 0 320.230 3.315 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000718825532 662261938 /nfs/dbraw/zinc/26/19/38/662261938.db2.gz NNTREQWXJYQYCA-GUDVDZBRSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(Cl)c1Cl ZINC000090468171 662264505 /nfs/dbraw/zinc/26/45/05/662264505.db2.gz KEXQPIKWKSPYRW-VHSXEESVSA-N 1 0 322.257 3.221 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNCc1nc(C)c(Br)s1 ZINC000719214348 662271672 /nfs/dbraw/zinc/27/16/72/662271672.db2.gz BUKJGJJRVJWLCM-VIFPVBQESA-N 1 0 320.300 3.034 10 0 DGAERO CC[C@](C)(C[NH2+]Cc1nc(C)c(Br)s1)OC ZINC000719256091 662272261 /nfs/dbraw/zinc/27/22/61/662272261.db2.gz FMIMEPCOFIGSKW-LLVKDONJSA-N 1 0 307.257 3.119 10 0 DGAERO CO[C@]1(C[NH2+]Cc2csc(Br)c2)CCSC1 ZINC000719304410 662273730 /nfs/dbraw/zinc/27/37/30/662273730.db2.gz WZCDJLDZYVLJIW-NSHDSACASA-N 1 0 322.293 3.122 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2CCCS2)sc1Br ZINC000719322631 662274005 /nfs/dbraw/zinc/27/40/05/662274005.db2.gz SWNVHIUTDLVOFN-QMMMGPOBSA-N 1 0 307.282 3.199 10 0 DGAERO CO[C@@]1(C[NH2+][C@@H](C)c2cnc3ccsc3c2)CCSC1 ZINC000719323472 662274110 /nfs/dbraw/zinc/27/41/10/662274110.db2.gz JZUHAQQQACAPTD-XHDPSFHLSA-N 1 0 308.472 3.469 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)sc1Br ZINC000719305125 662274146 /nfs/dbraw/zinc/27/41/46/662274146.db2.gz MGBUKXNVUGJYMR-QNSHHTMESA-N 1 0 319.268 3.117 10 0 DGAERO Cc1nc(C[NH2+]CC[C@H]2CCCCO2)sc1Br ZINC000719328769 662274433 /nfs/dbraw/zinc/27/44/33/662274433.db2.gz WQPWIULQBKXYPI-SNVBAGLBSA-N 1 0 319.268 3.263 10 0 DGAERO OCC[C@H]1CCN(Cc2cccc(Cl)c2Br)C1 ZINC000719393239 662281119 /nfs/dbraw/zinc/28/11/19/662281119.db2.gz RJSMIXYUOKCGKG-SNVBAGLBSA-N 1 0 318.642 3.307 10 0 DGAERO CCc1ccc(-c2noc(-c3csc([C@@H](C)[NH3+])n3)n2)cc1 ZINC000090938704 662286427 /nfs/dbraw/zinc/28/64/27/662286427.db2.gz YHAWPCFUJJJXMU-SECBINFHSA-N 1 0 300.387 3.442 10 0 DGAERO C[C@H]1[C@H](Nc2ncc(Br)cc2Cl)CC[N@@H+]1C ZINC000719568155 662292466 /nfs/dbraw/zinc/29/24/66/662292466.db2.gz AJGIDDBHFXDZLO-OIBJUYFYSA-N 1 0 304.619 3.002 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccc(Br)s1 ZINC000719648631 662295417 /nfs/dbraw/zinc/29/54/17/662295417.db2.gz QVCAPKBFBLUKED-IVZWLZJFSA-N 1 0 303.269 3.254 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)CCN1C ZINC000719649526 662295431 /nfs/dbraw/zinc/29/54/31/662295431.db2.gz UKAJAZFIEVBRLN-XCBNKYQSSA-N 1 0 323.687 3.346 10 0 DGAERO C[C@@H]([NH2+]CC1CCCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091288685 662299676 /nfs/dbraw/zinc/29/96/76/662299676.db2.gz CLRSKBCYBSNXJR-CQSZACIVSA-N 1 0 324.490 3.345 10 0 DGAERO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247193355 662302708 /nfs/dbraw/zinc/30/27/08/662302708.db2.gz BTRLZWZWEIPDGG-DLBZAZTESA-N 1 0 319.445 3.306 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000720229141 662306451 /nfs/dbraw/zinc/30/64/51/662306451.db2.gz BOVCCIXLFWJDJX-SECBINFHSA-N 1 0 319.232 3.335 10 0 DGAERO Cc1cc(C[NH2+]CCOC(F)(F)C(F)(F)F)cc(Cl)n1 ZINC000720263145 662307473 /nfs/dbraw/zinc/30/74/73/662307473.db2.gz YYRHLUYEZZBBNG-UHFFFAOYSA-N 1 0 318.673 3.305 10 0 DGAERO CCC[C@@H]1CC(=O)N(C[N@H+](C[C@H]2CCCO2)C2CCCC2)C1 ZINC000247403119 662315844 /nfs/dbraw/zinc/31/58/44/662315844.db2.gz IAFWQMZRONABKU-NVXWUHKLSA-N 1 0 308.466 3.016 10 0 DGAERO OCC[C@H]1CCCC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091741658 662316809 /nfs/dbraw/zinc/31/68/09/662316809.db2.gz VWBGDBLDROAXJL-CVEARBPZSA-N 1 0 322.836 3.070 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000248506311 662350309 /nfs/dbraw/zinc/35/03/09/662350309.db2.gz WQMPKERKKGROMN-VQHPVUNQSA-N 1 0 307.434 3.230 10 0 DGAERO O=C(C[C@H]1CCCOC1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248674251 662357108 /nfs/dbraw/zinc/35/71/08/662357108.db2.gz WTMTXVJAPJAUFQ-MSOLQXFVSA-N 1 0 317.429 3.011 10 0 DGAERO C[C@@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCCCO1 ZINC000379178668 685146787 /nfs/dbraw/zinc/14/67/87/685146787.db2.gz ODZARGORIGCSCS-ZIAGYGMSSA-N 1 0 314.470 3.227 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@H](C)NC(=O)OC(C)(C)C ZINC000380960272 685154805 /nfs/dbraw/zinc/15/48/05/685154805.db2.gz WGNRDMNSIARXCN-JKIFEVAISA-N 1 0 318.461 3.435 10 0 DGAERO CC(C)(C)OC(=O)NCC(F)(F)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000382049931 685161771 /nfs/dbraw/zinc/16/17/71/685161771.db2.gz WDKUBUNXUNKCJI-WXRRBKDZSA-N 1 0 318.408 3.315 10 0 DGAERO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000382122085 685162485 /nfs/dbraw/zinc/16/24/85/685162485.db2.gz UHRNQKUCGDAPMF-QLFBSQMISA-N 1 0 314.470 3.227 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC000394639967 685222595 /nfs/dbraw/zinc/22/25/95/685222595.db2.gz YWQSEKBUSOTZMH-WDEREUQCSA-N 1 0 314.376 3.356 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000397798145 685232264 /nfs/dbraw/zinc/23/22/64/685232264.db2.gz DMUVMSVESPEDSF-UHFFFAOYSA-N 1 0 316.445 3.389 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CSC2(C)C)CN1C(=O)OC(C)(C)C ZINC000398973968 1176129820 /nfs/dbraw/zinc/12/98/20/1176129820.db2.gz ARYVBMYBDFDELZ-JHJVBQTASA-N 1 0 314.495 3.258 10 0 DGAERO C[C@H]1CCC[C@@H]([NH2+]Cc2nn(C)cc2Br)CC1 ZINC000393319586 1176600154 /nfs/dbraw/zinc/60/01/54/1176600154.db2.gz DQOVXIUCIOSVSG-WDEREUQCSA-N 1 0 300.244 3.241 10 0 DGAERO Cc1ccnc(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000328101533 1176637492 /nfs/dbraw/zinc/63/74/92/1176637492.db2.gz LGHPMGQYADPXGY-UHFFFAOYSA-N 1 0 319.449 3.127 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000236321694 1176653838 /nfs/dbraw/zinc/65/38/38/1176653838.db2.gz DCWXANNGKHJKPK-OCCSQVGLSA-N 1 0 305.809 3.374 10 0 DGAERO CC[C@@H](C)[C@@H](C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)OC ZINC000394459043 1176747857 /nfs/dbraw/zinc/74/78/57/1176747857.db2.gz TUAUEFYXYKAWNA-ZIAGYGMSSA-N 1 0 316.486 3.331 10 0 DGAERO c1cnc2c(c1)cccc2C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000378870909 1176747949 /nfs/dbraw/zinc/74/79/49/1176747949.db2.gz NJLNMEXWGMHRDS-UHFFFAOYSA-N 1 0 320.392 3.338 10 0 DGAERO CC[C@@H]1C[C@H]1C[NH2+]Cc1cccc(I)c1 ZINC000387830355 1176769692 /nfs/dbraw/zinc/76/96/92/1176769692.db2.gz OEPAGMZLNKMJJM-NEPJUHHUSA-N 1 0 315.198 3.427 10 0 DGAERO CCOC(=O)/C=C\C[N@H+](C)Cc1cccc(Br)c1 ZINC000310529270 1176776766 /nfs/dbraw/zinc/77/67/66/1176776766.db2.gz JNQPXONKXKLJHQ-YVMONPNESA-N 1 0 312.207 3.000 10 0 DGAERO C[C@@H](CCCCO)[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000398431196 1177019421 /nfs/dbraw/zinc/01/94/21/1177019421.db2.gz OOEYHHZEKPJMAW-AWEZNQCLSA-N 1 0 316.486 3.163 10 0 DGAERO CC/C=C/C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000385031480 1177152551 /nfs/dbraw/zinc/15/25/51/1177152551.db2.gz PVRIAGMLVCDDLE-XVNBXDOJSA-N 1 0 302.418 3.343 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085366840 1177712728 /nfs/dbraw/zinc/71/27/28/1177712728.db2.gz ZYMNAARVWMGPAJ-RYUDHWBXSA-N 1 0 300.855 3.268 10 0 DGAERO C[C@H](CNc1ccc(C#N)c(Br)c1F)C[NH+](C)C ZINC000381040373 1177713670 /nfs/dbraw/zinc/71/36/70/1177713670.db2.gz VTOUVQRJOJNCFO-SECBINFHSA-N 1 0 314.202 3.069 10 0 DGAERO C=CCOc1ccc(C[NH2+]CC2(N(C)C)CCCC2)cc1OC ZINC000061555412 1195199545 /nfs/dbraw/zinc/19/95/45/1195199545.db2.gz WGIVKENDNYUVDA-UHFFFAOYSA-N 1 0 318.461 3.224 10 0 DGAERO COc1cc(C[NH2+]CCCOCc2ccccc2)cc(OC)c1 ZINC000061744044 1195207779 /nfs/dbraw/zinc/20/77/79/1195207779.db2.gz RUTQAFQQNYLZIQ-UHFFFAOYSA-N 1 0 315.413 3.400 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@H](C)C(=O)N[C@@H](C)CC)cc1Cl ZINC000066991203 1195582974 /nfs/dbraw/zinc/58/29/74/1195582974.db2.gz MUXJQYGARYYANH-QWHCGFSZSA-N 1 0 324.852 3.298 10 0 DGAERO c1cc(-c2nc(CNCCC[NH+]3CCCC3)cs2)cs1 ZINC000067446505 1195633918 /nfs/dbraw/zinc/63/39/18/1195633918.db2.gz HPFWHUWLQDRBKZ-UHFFFAOYSA-N 1 0 307.488 3.447 10 0 DGAERO c1cc(C[NH2+]CCOC[C@H]2CCOC2)cc(OC2CCCC2)c1 ZINC000068995389 1195764666 /nfs/dbraw/zinc/76/46/66/1195764666.db2.gz VSVNJRLUORABDX-KRWDZBQOSA-N 1 0 319.445 3.151 10 0 DGAERO CC(C)(C)n1cc(C[NH2+]CCCCNc2ccccn2)cn1 ZINC000078847547 1196803183 /nfs/dbraw/zinc/80/31/83/1196803183.db2.gz FCPILXUAJBBBMB-UHFFFAOYSA-N 1 0 301.438 3.015 10 0 DGAERO Cc1ccsc1CNC(=O)C[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC000081597641 1197237704 /nfs/dbraw/zinc/23/77/04/1197237704.db2.gz NXPYKXPNCQOJNK-ZDUSSCGKSA-N 1 0 322.499 3.297 10 0 DGAERO c1csc(-c2ncc(C[NH2+]CCN3CCCCC3)s2)c1 ZINC000083448937 1197429205 /nfs/dbraw/zinc/42/92/05/1197429205.db2.gz YXDYMOGWQYDPOI-UHFFFAOYSA-N 1 0 307.488 3.447 10 0 DGAERO CCC[C@@H](C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1)OC ZINC000379639173 1197703096 /nfs/dbraw/zinc/70/30/96/1197703096.db2.gz AOFTXFOHKKKDCR-OALUTQOASA-N 1 0 304.478 3.446 10 0 DGAERO Cn1nccc1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000383319501 1197706368 /nfs/dbraw/zinc/70/63/68/1197706368.db2.gz SDSMUZMTBXEUHN-UHFFFAOYSA-N 1 0 321.424 3.331 10 0 DGAERO CCOC(CC[NH2+]Cc1ccsc1Br)OCC ZINC000388402248 1197708999 /nfs/dbraw/zinc/70/89/99/1197708999.db2.gz OXWXAWMWSYIJLR-UHFFFAOYSA-N 1 0 322.268 3.389 10 0 DGAERO Cn1c(C[NH2+]CCCOCc2ccccc2)nc2ccccc21 ZINC000390078542 1197711123 /nfs/dbraw/zinc/71/11/23/1197711123.db2.gz ZLEPFIGAOWSSND-UHFFFAOYSA-N 1 0 309.413 3.270 10 0 DGAERO Cc1cc(C[NH2+]C[C@H]2CCCCN2C)ccc1Br ZINC000091469892 1198419247 /nfs/dbraw/zinc/41/92/47/1198419247.db2.gz PZJJJYKKAHBAMM-CQSZACIVSA-N 1 0 311.267 3.331 10 0 DGAERO C#CCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000093113763 1198656742 /nfs/dbraw/zinc/65/67/42/1198656742.db2.gz LBFLTTKMMVYNEY-SFHVURJKSA-N 1 0 315.800 3.175 10 0 DGAERO CC(C)(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)S(C)(=O)=O ZINC000093520538 1198703652 /nfs/dbraw/zinc/70/36/52/1198703652.db2.gz SPPWRUROLUFIOL-CQSZACIVSA-N 1 0 315.866 3.204 10 0 DGAERO Fc1cc(Br)cc(C[NH2+]CCc2cccnc2)c1 ZINC000093981809 1198743994 /nfs/dbraw/zinc/74/39/94/1198743994.db2.gz KLPQXPMDCAMNOH-UHFFFAOYSA-N 1 0 309.182 3.316 10 0 DGAERO CC(C)COCCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000096953676 1199063576 /nfs/dbraw/zinc/06/35/76/1199063576.db2.gz JIHIAXFDTXLKNG-UHFFFAOYSA-N 1 0 301.434 3.084 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000401960565 1199427134 /nfs/dbraw/zinc/42/71/34/1199427134.db2.gz VSCKWWUVXMHDLL-SFHVURJKSA-N 1 0 314.429 3.488 10 0 DGAERO COCC1(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)CCC1 ZINC000405961389 1199601369 /nfs/dbraw/zinc/60/13/69/1199601369.db2.gz OUWURNZWXBQWAT-SFHVURJKSA-N 1 0 302.462 3.057 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1cc(O)ccc1Br ZINC000305098765 1199672685 /nfs/dbraw/zinc/67/26/85/1199672685.db2.gz ADNOXMYQPRGCCG-UHFFFAOYSA-N 1 0 316.239 3.043 10 0 DGAERO c1csc(-c2nc(C[NH2+]CCOC[C@H]3CCCO3)cs2)c1 ZINC000115625409 1199756712 /nfs/dbraw/zinc/75/67/12/1199756712.db2.gz UAVOONJMWOVILV-CYBMUJFWSA-N 1 0 324.471 3.157 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]CCC3Cc4ccccc4C3)cc2)n1 ZINC000119474397 1200074587 /nfs/dbraw/zinc/07/45/87/1200074587.db2.gz SJYGCQIXOALTON-UHFFFAOYSA-N 1 0 318.424 3.162 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCC1Cc2ccccc2C1 ZINC000119469642 1200074788 /nfs/dbraw/zinc/07/47/88/1200074788.db2.gz SRFMGGZUGWAVGP-UHFFFAOYSA-N 1 0 318.424 3.366 10 0 DGAERO C=CCCOCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000120836632 1200174846 /nfs/dbraw/zinc/17/48/46/1200174846.db2.gz DMOXGPKDPSEICI-UHFFFAOYSA-N 1 0 305.809 3.208 10 0 DGAERO C=CCNC(=O)C[NH2+][C@@H](CC)Cc1ccc(Cl)cc1Cl ZINC000133312027 1201188727 /nfs/dbraw/zinc/18/87/27/1201188727.db2.gz KCVYTXSOZBVERW-ZDUSSCGKSA-N 1 0 315.244 3.206 10 0 DGAERO C=CCOc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)cc1Cl ZINC000133353690 1201190959 /nfs/dbraw/zinc/19/09/59/1201190959.db2.gz NGBVGDNLVXBSMJ-MPBGBICISA-N 1 0 315.866 3.152 10 0 DGAERO c1cc2c(s1)CCN(CC[NH2+]Cc1cnc(C3CC3)s1)C2 ZINC000134223569 1201199678 /nfs/dbraw/zinc/19/96/78/1201199678.db2.gz DCGIOSQLAGICER-UHFFFAOYSA-N 1 0 319.499 3.230 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000135955246 1201207248 /nfs/dbraw/zinc/20/72/48/1201207248.db2.gz MPQDNTFZEHIIAL-KRWDZBQOSA-N 1 0 324.509 3.255 10 0 DGAERO C[C@H]([NH2+]Cc1c(Cl)cccc1S(C)(=O)=O)C1CCC1 ZINC000137704327 1202147258 /nfs/dbraw/zinc/14/72/58/1202147258.db2.gz NZTLFJVALWQANA-JTQLQIEISA-N 1 0 301.839 3.022 10 0 DGAERO C[C@H]1SCC[C@@H]1[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000220649837 1202566862 /nfs/dbraw/zinc/56/68/62/1202566862.db2.gz PXKFNZPVJMFWET-RDBSUJKOSA-N 1 0 314.495 3.117 10 0 DGAERO Fc1ccc(C[NH2+]CCNc2ncccc2C(F)(F)F)cc1 ZINC000152756366 1202595167 /nfs/dbraw/zinc/59/51/67/1202595167.db2.gz ZRKICVXRZLZFMD-UHFFFAOYSA-N 1 0 313.298 3.441 10 0 DGAERO c1csc(-c2nc(C[NH2+]CCCO[C@H]3CCOC3)cs2)c1 ZINC000152929870 1202595521 /nfs/dbraw/zinc/59/55/21/1202595521.db2.gz XCBFZTBPLCACTJ-ZDUSSCGKSA-N 1 0 324.471 3.157 10 0 DGAERO C[N@@H+]1CCCC[C@@H]1CNCc1cccc(F)c1Br ZINC000156732796 1202601208 /nfs/dbraw/zinc/60/12/08/1202601208.db2.gz LGPCAPKHGOWQMA-GFCCVEGCSA-N 1 0 315.230 3.162 10 0 DGAERO C=CC[NH+]1CCC(NCc2ccccc2Br)CC1 ZINC000236572471 1202612413 /nfs/dbraw/zinc/61/24/13/1202612413.db2.gz MSFKRQKWKJPSST-UHFFFAOYSA-N 1 0 309.251 3.189 10 0 DGAERO c1ccc(OCC2CC2)c(CNCCC[NH+]2CCCCC2)c1 ZINC000236586716 1202613700 /nfs/dbraw/zinc/61/37/00/1202613700.db2.gz SDGYCHCOMZVRQQ-UHFFFAOYSA-N 1 0 302.462 3.441 10 0 DGAERO c1sc(-c2ccccn2)nc1C[NH2+][C@H]1COc2ccccc2C1 ZINC000236604263 1202614708 /nfs/dbraw/zinc/61/47/08/1202614708.db2.gz UAOJFNVJYPUFIF-CQSZACIVSA-N 1 0 323.421 3.298 10 0 DGAERO c1[nH]nc2cc(CNC3CC[NH+](CC4CCCC4)CC3)ccc12 ZINC000236624010 1202614993 /nfs/dbraw/zinc/61/49/93/1202614993.db2.gz QLWNWZBSYJJOTI-UHFFFAOYSA-N 1 0 312.461 3.307 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000236763562 1202624002 /nfs/dbraw/zinc/62/40/02/1202624002.db2.gz IZWRESYHLZASEN-INIZCTEOSA-N 1 0 321.380 3.006 10 0 DGAERO CN(CC[NH2+]Cc1cc(F)c(F)c(F)c1)Cc1ccccc1 ZINC000237153102 1202651167 /nfs/dbraw/zinc/65/11/67/1202651167.db2.gz ICSSRQLBJQMPLM-UHFFFAOYSA-N 1 0 308.347 3.326 10 0 DGAERO CNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2C)cc1 ZINC000188870654 1203233666 /nfs/dbraw/zinc/23/36/66/1203233666.db2.gz CERANEFEPXKNPR-UHFFFAOYSA-N 1 0 302.805 3.298 10 0 DGAERO COc1ccccc1/C=C\C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000255310483 1203841088 /nfs/dbraw/zinc/84/10/88/1203841088.db2.gz GEXHHHKCOKSEIV-ALCCZGGFSA-N 1 0 324.428 3.075 10 0 DGAERO Cc1noc([C@@H](NCC#Cc2ccc(Cl)cc2)C(C)C)n1 ZINC000179851969 1204323696 /nfs/dbraw/zinc/32/36/96/1204323696.db2.gz ULLFYEGFESUXIP-HNNXBMFYSA-N 1 0 303.793 3.370 10 0 DGAERO C[C@@H](CNCc1c(F)ccc(F)c1Cl)C[NH+]1CCCC1 ZINC000705567275 1081693991 /nfs/dbraw/zinc/69/39/91/1081693991.db2.gz BNXVOOROGPFUFY-NSHDSACASA-N 1 0 302.796 3.440 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1Cl ZINC000706450675 1082013507 /nfs/dbraw/zinc/01/35/07/1082013507.db2.gz LNMXDUVQTNJZPY-SKDRFNHKSA-N 1 0 318.642 3.353 10 0 DGAERO CC(C)[C@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CCO1 ZINC000397874983 1082016155 /nfs/dbraw/zinc/01/61/55/1082016155.db2.gz LHZIPIKRXRJJHZ-LSDHHAIUSA-N 1 0 314.470 3.085 10 0 DGAERO CCC(CC)C[NH2+]C[C@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398687297 1082198172 /nfs/dbraw/zinc/19/81/72/1082198172.db2.gz MOHPDWJRZLPRJR-AWEZNQCLSA-N 1 0 302.459 3.493 10 0 DGAERO C[C@H](C[NH2+]Cc1ccccc1I)C1CC1 ZINC000308815165 1082827886 /nfs/dbraw/zinc/82/78/86/1082827886.db2.gz ALDKXFVUYCGQSH-SNVBAGLBSA-N 1 0 315.198 3.427 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(Br)c1F ZINC000720289571 1090903500 /nfs/dbraw/zinc/90/35/00/1090903500.db2.gz RYYBAPLVJSVEMW-SECBINFHSA-N 1 0 304.203 3.491 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3ccccn3)CCC[C@H]12 ZINC000711619273 1091328432 /nfs/dbraw/zinc/32/84/32/1091328432.db2.gz AAADQEPHQPOUKI-MAUKXSAKSA-N 1 0 317.433 3.103 10 0 DGAERO Cn1cccc1C[NH2+][C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711638638 1091328507 /nfs/dbraw/zinc/32/85/07/1091328507.db2.gz ICLZWKFMHPYDKN-YJBOKZPZSA-N 1 0 319.449 3.047 10 0 DGAERO Clc1cccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000089952398 1092513279 /nfs/dbraw/zinc/51/32/79/1092513279.db2.gz QYBYMAWIEMTLRF-KGLIPLIRSA-N 1 0 312.866 3.222 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCO2)C12CCCC2 ZINC000401369955 1093946095 /nfs/dbraw/zinc/94/60/95/1093946095.db2.gz BNXTTWBIWIHGAP-HUUCEWRRSA-N 1 0 324.465 3.077 10 0 DGAERO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CS1 ZINC000401635047 1093960969 /nfs/dbraw/zinc/96/09/69/1093960969.db2.gz CMNNCAZZRQMFTB-ZOBORPQBSA-N 1 0 314.495 3.116 10 0 DGAERO CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCC1 ZINC000401621809 1093960998 /nfs/dbraw/zinc/96/09/98/1093960998.db2.gz WOLYVIOMZAYTPE-SFHVURJKSA-N 1 0 324.472 3.431 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C2CCSCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401707172 1093966737 /nfs/dbraw/zinc/96/67/37/1093966737.db2.gz BREMNNRVEHXNIV-TZMCWYRMSA-N 1 0 314.495 3.117 10 0 DGAERO COCCCCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401783190 1093972489 /nfs/dbraw/zinc/97/24/89/1093972489.db2.gz RMNPBGAULAYQEJ-CABCVRRESA-N 1 0 314.470 3.038 10 0 DGAERO Cc1cc(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000401856883 1093975590 /nfs/dbraw/zinc/97/55/90/1093975590.db2.gz VVWNMQMIVDKHDD-BBRMVZONSA-N 1 0 319.449 3.125 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403483476 1094131729 /nfs/dbraw/zinc/13/17/29/1094131729.db2.gz SQJUQFPPTKJTOA-JKJDWNRSSA-N 1 0 308.466 3.458 10 0 DGAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccns2)CN1C(=O)OC(C)(C)C ZINC000404322102 1094254322 /nfs/dbraw/zinc/25/43/22/1094254322.db2.gz JYZPTWVRFAVOEC-NWDGAFQWSA-N 1 0 311.451 3.021 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCCCF)C12CCC2 ZINC000405370320 1094346001 /nfs/dbraw/zinc/34/60/01/1094346001.db2.gz YSCIWMNMVOBLHH-QWHCGFSZSA-N 1 0 300.418 3.162 10 0 DGAERO COc1cccc2c1CC[C@@H]([NH2+][C@@H](c1nc(C)no1)C(C)C)C2 ZINC000192442572 1095051078 /nfs/dbraw/zinc/05/10/78/1095051078.db2.gz SFJNYMXYWPEIJQ-RHSMWYFYSA-N 1 0 315.417 3.231 10 0 DGAERO Cc1noc([C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)C(C)C)n1 ZINC000193294683 1095089172 /nfs/dbraw/zinc/08/91/72/1095089172.db2.gz BDUIHWBSTKOWKX-KRWDZBQOSA-N 1 0 315.417 3.232 10 0 DGAERO CCC[NH2+]C[C@@H](C)N(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000721658899 1097775196 /nfs/dbraw/zinc/77/51/96/1097775196.db2.gz XPTMFTFWLABMHS-SNVBAGLBSA-N 1 0 303.233 3.454 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)o1 ZINC000721847820 1098064530 /nfs/dbraw/zinc/06/45/30/1098064530.db2.gz LAUMHRJWUKMYQM-AWEZNQCLSA-N 1 0 308.422 3.323 10 0 DGAERO Cc1occc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721907767 1098154934 /nfs/dbraw/zinc/15/49/34/1098154934.db2.gz XZIVAHXOJIXBNB-AWEZNQCLSA-N 1 0 308.422 3.323 10 0 DGAERO C[C@@H]1[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CCN1C ZINC000719642697 1104968750 /nfs/dbraw/zinc/96/87/50/1104968750.db2.gz CUPQMIXMQJMACX-NOZJJQNGSA-N 1 0 317.658 3.285 10 0 DGAERO CC[C@@H]([NH2+]Cc1sncc1Br)[C@H]1CCCOC1 ZINC000723959147 1106492448 /nfs/dbraw/zinc/49/24/48/1106492448.db2.gz OJHGAKHEVMGIOC-GXSJLCMTSA-N 1 0 319.268 3.200 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)C1(C)C ZINC000701951394 1109005673 /nfs/dbraw/zinc/00/56/73/1109005673.db2.gz NQOPDNYZVWKZEJ-SDDRHHMPSA-N 1 0 318.408 3.313 10 0 DGAERO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000129020576 432001822 /nfs/dbraw/zinc/00/18/22/432001822.db2.gz PPMMTLPVWNEZDZ-SQWLQELKSA-N 1 0 307.482 3.079 10 0 DGAERO C[C@H]([NH2+]Cc1csc(Br)c1)c1ccnn1C ZINC000278336654 214099598 /nfs/dbraw/zinc/09/95/98/214099598.db2.gz WZKCDJHWAMZQTR-QMMMGPOBSA-N 1 0 300.225 3.095 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@@H+](CCOc2ccc(C(C)C)c(C)c2)C1 ZINC000076707840 185033658 /nfs/dbraw/zinc/03/36/58/185033658.db2.gz ZLOISMDOGCEQQG-QGZVFWFLSA-N 1 0 318.461 3.098 10 0 DGAERO CCO[C@H](C)c1nc(CN2CCC([NH+]3CCCC3)CC2)cs1 ZINC000076727496 185035588 /nfs/dbraw/zinc/03/55/88/185035588.db2.gz MZUFYAHLVSEBOY-CQSZACIVSA-N 1 0 323.506 3.301 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000181261222 199273212 /nfs/dbraw/zinc/27/32/12/199273212.db2.gz GESRPAKYNRPYLR-XJKSGUPXSA-N 1 0 320.481 3.011 10 0 DGAERO CN(C)c1ncccc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129282437 432003430 /nfs/dbraw/zinc/00/34/30/432003430.db2.gz RBCLMVZJTSGFJC-OLZOCXBDSA-N 1 0 301.356 3.358 10 0 DGAERO c1ccc(C[N@@H+]2CCCO[C@@H](CSC3CCOCC3)C2)cc1 ZINC000278660738 214308267 /nfs/dbraw/zinc/30/82/67/214308267.db2.gz XCHGNIUMZREEJH-QGZVFWFLSA-N 1 0 321.486 3.190 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2cc(F)ccc12 ZINC000192965857 529406738 /nfs/dbraw/zinc/40/67/38/529406738.db2.gz IOPCNYSOAWIGCF-ZIAGYGMSSA-N 1 0 315.392 3.006 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@H]1c1ccccc1 ZINC000079390040 185167935 /nfs/dbraw/zinc/16/79/35/185167935.db2.gz CMIHGQOARNQVFJ-SFHVURJKSA-N 1 0 315.461 3.409 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(C(C)C)cs1 ZINC000173330051 529406431 /nfs/dbraw/zinc/40/64/31/529406431.db2.gz AFEUNFSGLVEWFD-CHWSQXEVSA-N 1 0 322.478 3.357 10 0 DGAERO COCCOCC[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181303571 199278713 /nfs/dbraw/zinc/27/87/13/199278713.db2.gz YYNRUADXMRWCPL-HNNXBMFYSA-N 1 0 300.402 3.062 10 0 DGAERO [NH3+]Cc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)ccn1 ZINC000310016437 231108880 /nfs/dbraw/zinc/10/88/80/231108880.db2.gz SYPYLXXSFLVQIA-UHFFFAOYSA-N 1 0 317.392 3.387 10 0 DGAERO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cnccn1 ZINC000310470064 231112912 /nfs/dbraw/zinc/11/29/12/231112912.db2.gz BCSQWHFNJRZDRT-DSLXNQLJSA-N 1 0 322.456 3.038 10 0 DGAERO CCCOc1ccc(C(=O)[C@H]2CCC[NH2+]2)cc1Br ZINC000083162854 185215256 /nfs/dbraw/zinc/21/52/56/185215256.db2.gz QZCVTBGXZZUOFV-GFCCVEGCSA-N 1 0 312.207 3.173 10 0 DGAERO O[C@@H](c1ccc(Br)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000083165714 185215539 /nfs/dbraw/zinc/21/55/39/185215539.db2.gz ZERSKFQAGFSWPN-GJZGRUSLSA-N 1 0 306.203 3.388 10 0 DGAERO COc1cccc([C@@H](C)[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000083405502 185222081 /nfs/dbraw/zinc/22/20/81/185222081.db2.gz ZFZCBDKYNDKKJH-DNVCBOLYSA-N 1 0 319.445 3.416 10 0 DGAERO CC(C)[C@@H](CC(=O)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000103188728 432005009 /nfs/dbraw/zinc/00/50/09/432005009.db2.gz QVEKNPOLFUEOMA-GOSISDBHSA-N 1 0 302.462 3.369 10 0 DGAERO COC1([C@@H](C)[NH2+]CCc2ccc(Cl)c(C)c2)CCOCC1 ZINC000453243583 536707198 /nfs/dbraw/zinc/70/71/98/536707198.db2.gz CZHOJCBZCCLLGO-CQSZACIVSA-N 1 0 311.853 3.365 10 0 DGAERO CCN(C(=O)c1ccccc1OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000096940021 185393238 /nfs/dbraw/zinc/39/32/38/185393238.db2.gz UQMZCZMXXDZCPW-QGZVFWFLSA-N 1 0 324.424 3.090 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000090227935 185287846 /nfs/dbraw/zinc/28/78/46/185287846.db2.gz QLVONLPLIHBHQC-ROUUACIJSA-N 1 0 310.445 3.341 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccccc1OC(F)F ZINC000090514236 185299967 /nfs/dbraw/zinc/29/99/67/185299967.db2.gz MSIPCNZNMKYNTL-SULUTDIPSA-N 1 0 305.390 3.096 10 0 DGAERO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000090666145 185308494 /nfs/dbraw/zinc/30/84/94/185308494.db2.gz OQTPYOUWZSIFQO-IINYFYTJSA-N 1 0 309.335 3.462 10 0 DGAERO c1cn(C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)cn1 ZINC000092659331 185332123 /nfs/dbraw/zinc/33/21/23/185332123.db2.gz SWYQLXNUCUTYEF-UHFFFAOYSA-N 1 0 307.401 3.110 10 0 DGAERO CN(C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(F)cc1 ZINC000245882972 282249581 /nfs/dbraw/zinc/24/95/81/282249581.db2.gz LCVVKNHUOXUCJM-TVFCKZIOSA-N 1 0 320.452 3.222 10 0 DGAERO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000092704822 185334320 /nfs/dbraw/zinc/33/43/20/185334320.db2.gz QSACFDFYMNMDNR-CQSZACIVSA-N 1 0 309.479 3.052 10 0 DGAERO COc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c(OC)c1 ZINC000092785493 185341081 /nfs/dbraw/zinc/34/10/81/185341081.db2.gz HOIWREPPILGACW-KRWDZBQOSA-N 1 0 318.461 3.154 10 0 DGAERO CCC[C@@H](C(=O)Nc1cc(C2CCCCC2)nn1C)[NH+](C)C ZINC000092756851 185338279 /nfs/dbraw/zinc/33/82/79/185338279.db2.gz CIMRXJGHBJEQPF-HNNXBMFYSA-N 1 0 306.454 3.137 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)no1 ZINC000092814111 185343524 /nfs/dbraw/zinc/34/35/24/185343524.db2.gz URORHMGFOOHBEM-ICTCPBKTSA-N 1 0 315.392 3.485 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103297553 432006680 /nfs/dbraw/zinc/00/66/80/432006680.db2.gz MVXKVMNSPPNLDG-IRXDYDNUSA-N 1 0 309.498 3.184 10 0 DGAERO Cn1nccc1C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000092810335 185342809 /nfs/dbraw/zinc/34/28/09/185342809.db2.gz GNRDWWCJLNMBQU-UHFFFAOYSA-N 1 0 321.428 3.190 10 0 DGAERO CC(C)c1ncc(C(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000129637073 432006941 /nfs/dbraw/zinc/00/69/41/432006941.db2.gz FXJNMHZQTYPOND-UHFFFAOYSA-N 1 0 309.479 3.117 10 0 DGAERO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccnc1 ZINC000181394317 199290232 /nfs/dbraw/zinc/29/02/32/199290232.db2.gz YOUHYCJZJRMWCM-ABAIWWIYSA-N 1 0 321.218 3.228 10 0 DGAERO CCc1ccc([C@H](CNC(=O)N2CCC23CCC3)[NH+](C)C)cc1 ZINC000435582809 529723246 /nfs/dbraw/zinc/72/32/46/529723246.db2.gz GPLFYUWHKYKWGC-KRWDZBQOSA-N 1 0 315.461 3.190 10 0 DGAERO Cc1cc2ncc([C@H](C)[NH2+]CCCc3ccccn3)c(C)n2n1 ZINC000181497622 199307429 /nfs/dbraw/zinc/30/74/29/199307429.db2.gz ICJSJGGKSNEEJK-AWEZNQCLSA-N 1 0 309.417 3.025 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(F)c(F)c1 ZINC000181633725 199330170 /nfs/dbraw/zinc/33/01/70/199330170.db2.gz VVVQUSGVHCSLDR-NEPJUHHUSA-N 1 0 322.399 3.405 10 0 DGAERO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccs2)cc1 ZINC000181635733 199330565 /nfs/dbraw/zinc/33/05/65/199330565.db2.gz NCXJCUPWKWICPB-CYBMUJFWSA-N 1 0 318.442 3.066 10 0 DGAERO CC[C@H](C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)[NH+](C)C ZINC000129862976 432009941 /nfs/dbraw/zinc/00/99/41/432009941.db2.gz PHPXASVUGUYADG-JKSUJKDBSA-N 1 0 316.445 3.279 10 0 DGAERO Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H]3CC=CCC3)CCCN2C)cn1 ZINC000328652363 529962825 /nfs/dbraw/zinc/96/28/25/529962825.db2.gz WKFKVMWMUDOGHM-JENIJYKNSA-N 1 0 316.493 3.091 10 0 DGAERO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc2c(c1)OCO2 ZINC000435133517 529982382 /nfs/dbraw/zinc/98/23/82/529982382.db2.gz REVAAEICAVCKRY-UHFFFAOYSA-N 1 0 311.341 3.030 10 0 DGAERO Cc1nn(-c2ccc([C@H](C)[NH3+])cc2F)c(C)c1Br ZINC000050593457 190680100 /nfs/dbraw/zinc/68/01/00/190680100.db2.gz AXFDBXUAADCRCF-ZETCQYMHSA-N 1 0 312.186 3.410 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103593781 432011970 /nfs/dbraw/zinc/01/19/70/432011970.db2.gz GMMQVIWTVAWPCT-HNNXBMFYSA-N 1 0 303.450 3.039 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](CNc2ncc(Br)cc2Cl)C1 ZINC000227674689 201802624 /nfs/dbraw/zinc/80/26/24/201802624.db2.gz CFVGKTKTFRKSCT-SCZZXKLOSA-N 1 0 318.646 3.427 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)s1 ZINC000111361249 185587794 /nfs/dbraw/zinc/58/77/94/185587794.db2.gz RSDKKVOHRBQQOM-GFCCVEGCSA-N 1 0 309.479 3.058 10 0 DGAERO CC(C)([NH3+])CNC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000236595849 201930722 /nfs/dbraw/zinc/93/07/22/201930722.db2.gz MDJKGDURJAOKIF-UHFFFAOYSA-N 1 0 324.468 3.332 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000236599351 201932171 /nfs/dbraw/zinc/93/21/71/201932171.db2.gz PGZFUFMKMFSYRF-MJGOQNOKSA-N 1 0 302.462 3.112 10 0 DGAERO Cc1nnc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)n1C1CC1 ZINC000121279871 185776163 /nfs/dbraw/zinc/77/61/63/185776163.db2.gz IDPMXODPHJYAQH-OAHLLOKOSA-N 1 0 314.408 3.125 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000121470092 185804596 /nfs/dbraw/zinc/80/45/96/185804596.db2.gz BVNNIVLKCVTSAF-OAHLLOKOSA-N 1 0 324.415 3.230 10 0 DGAERO Cc1ccc(C(C)C)c2c1[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCO2 ZINC000130256715 432019383 /nfs/dbraw/zinc/01/93/83/432019383.db2.gz UZFFJGLPJMKWJZ-ZBFHGGJFSA-N 1 0 316.445 3.152 10 0 DGAERO Cc1ccc(C(C)C)c2c1[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCO2 ZINC000130257140 432019390 /nfs/dbraw/zinc/01/93/90/432019390.db2.gz UZFFJGLPJMKWJZ-HOCLYGCPSA-N 1 0 316.445 3.152 10 0 DGAERO Cc1ccc(C(C)C)c2c1[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCO2 ZINC000130256505 432019834 /nfs/dbraw/zinc/01/98/34/432019834.db2.gz UZFFJGLPJMKWJZ-GDBMZVCRSA-N 1 0 316.445 3.152 10 0 DGAERO CCc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccc(F)cc2)n1 ZINC000070456157 190896550 /nfs/dbraw/zinc/89/65/50/190896550.db2.gz YUMXDOILSIKYKU-UHFFFAOYSA-N 1 0 314.408 3.020 10 0 DGAERO CC[NH+](CC)CCNC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000070710064 190913636 /nfs/dbraw/zinc/91/36/36/190913636.db2.gz QRMZIQPVGWTQTC-UHFFFAOYSA-N 1 0 308.853 3.220 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000130057675 185932893 /nfs/dbraw/zinc/93/28/93/185932893.db2.gz JKTFJHBKFWGOLB-HNNXBMFYSA-N 1 0 320.433 3.129 10 0 DGAERO C[C@H]1CN(Cc2nnc(-c3cccc(Cl)c3)o2)CCS1 ZINC000106860754 432023442 /nfs/dbraw/zinc/02/34/42/432023442.db2.gz CFJZJUYFBWEKOA-JTQLQIEISA-N 1 0 309.822 3.327 10 0 DGAERO Cc1ccc(C)c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000170931456 197854310 /nfs/dbraw/zinc/85/43/10/197854310.db2.gz DKJBRUQROLBXBH-INIZCTEOSA-N 1 0 301.434 3.396 10 0 DGAERO Cc1[nH]nc(C(C)C)c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000138226551 186014710 /nfs/dbraw/zinc/01/47/10/186014710.db2.gz OOKLZSPBIASLLD-CYBMUJFWSA-N 1 0 320.481 3.082 10 0 DGAERO Cc1cc(C(=O)Nc2ccc(OCC[NH3+])cc2)ccc1Cl ZINC000138332009 186016004 /nfs/dbraw/zinc/01/60/04/186016004.db2.gz WCDCSLKDPYCQJO-UHFFFAOYSA-N 1 0 304.777 3.238 10 0 DGAERO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000155884427 186120408 /nfs/dbraw/zinc/12/04/08/186120408.db2.gz SRBZFDJJMBENLV-OAHLLOKOSA-N 1 0 322.412 3.290 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3ccccc3)o2)C1 ZINC000188016766 186244421 /nfs/dbraw/zinc/24/44/21/186244421.db2.gz ONUDFSOUINRTOI-KSSFIOAISA-N 1 0 300.402 3.325 10 0 DGAERO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1cccs1 ZINC000181913014 186218655 /nfs/dbraw/zinc/21/86/55/186218655.db2.gz BEEFPFPCTSZGKM-LBPRGKRZSA-N 1 0 306.406 3.196 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000188030103 186246144 /nfs/dbraw/zinc/24/61/44/186246144.db2.gz SCGCMHVPVRUXLJ-GDBMZVCRSA-N 1 0 304.434 3.443 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 ZINC000237442778 186289691 /nfs/dbraw/zinc/28/96/91/186289691.db2.gz WQWUMIRQJURPEA-GFCCVEGCSA-N 1 0 313.353 3.037 10 0 DGAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000237452484 186291692 /nfs/dbraw/zinc/29/16/92/186291692.db2.gz LVXKINZDOWOQPU-JSGCOSHPSA-N 1 0 316.376 3.285 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000237452952 186291870 /nfs/dbraw/zinc/29/18/70/186291870.db2.gz NZHULEOIJFPMRQ-MORSLUCNSA-N 1 0 300.446 3.260 10 0 DGAERO Cc1ccc(C[C@@H](C)N(C)C(=O)CCC2CC[NH2+]CC2)cc1 ZINC000237507225 186298943 /nfs/dbraw/zinc/29/89/43/186298943.db2.gz AUCQFSIHBZHBDU-MRXNPFEDSA-N 1 0 302.462 3.164 10 0 DGAERO CC(C)C(=O)N1CCC[N@@H+](C[C@H](C)Cc2ccccc2)CC1 ZINC000182034174 199377377 /nfs/dbraw/zinc/37/73/77/199377377.db2.gz IJNMDPOOCMXDJS-QGZVFWFLSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000279828330 186499375 /nfs/dbraw/zinc/49/93/75/186499375.db2.gz YQPRPBPRGQTIJU-HOCLYGCPSA-N 1 0 319.449 3.125 10 0 DGAERO CCCCOc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171891186 198002304 /nfs/dbraw/zinc/00/23/04/198002304.db2.gz VGQSTINIVZHIFV-OAHLLOKOSA-N 1 0 317.433 3.177 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc(F)ccc2s1 ZINC000172060282 198033297 /nfs/dbraw/zinc/03/32/97/198033297.db2.gz RQIVCECPAKZIBY-SMDDNHRTSA-N 1 0 318.417 3.349 10 0 DGAERO CC(C)(C)Oc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172120379 198042282 /nfs/dbraw/zinc/04/22/82/198042282.db2.gz BKWDSTMJPNDNAT-CQSZACIVSA-N 1 0 317.433 3.176 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)Nc1cccnc1Cl ZINC000172603593 198122584 /nfs/dbraw/zinc/12/25/84/198122584.db2.gz SKUQDHOONVZNDI-NXEZZACHSA-N 1 0 309.822 3.474 10 0 DGAERO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000172603779 198122648 /nfs/dbraw/zinc/12/26/48/198122648.db2.gz ZJUOYXMFNSUFFO-STQMWFEESA-N 1 0 318.442 3.112 10 0 DGAERO C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000172703454 198139232 /nfs/dbraw/zinc/13/92/32/198139232.db2.gz UBOYYCIKALWXPZ-KBXCAEBGSA-N 1 0 314.404 3.348 10 0 DGAERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc2ncccc21 ZINC000172838807 198156159 /nfs/dbraw/zinc/15/61/59/198156159.db2.gz ZYHBZFDFGNCXSK-OAHLLOKOSA-N 1 0 311.429 3.181 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173245506 198201026 /nfs/dbraw/zinc/20/10/26/198201026.db2.gz QJQXSBHIHRTLMF-OWCLPIDISA-N 1 0 303.450 3.180 10 0 DGAERO Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173438988 198214672 /nfs/dbraw/zinc/21/46/72/198214672.db2.gz UAPUKERAQBOAGH-MSOLQXFVSA-N 1 0 315.461 3.152 10 0 DGAERO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C2CCC2)cc1 ZINC000173557168 198227413 /nfs/dbraw/zinc/22/74/13/198227413.db2.gz ZYNVTQOBFMOPPR-UHFFFAOYSA-N 1 0 303.450 3.222 10 0 DGAERO C[C@@H](C[NH2+]Cc1nncn1-c1ccccc1)Cc1ccccc1 ZINC000182053045 199380391 /nfs/dbraw/zinc/38/03/91/199380391.db2.gz IJROUMSDTPRURB-MRXNPFEDSA-N 1 0 306.413 3.236 10 0 DGAERO CSc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000173651978 198236488 /nfs/dbraw/zinc/23/64/88/198236488.db2.gz VCDHWVWINFDCRI-QGZVFWFLSA-N 1 0 317.458 3.358 10 0 DGAERO Cc1cccc([C@H](C)[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000173672540 198239014 /nfs/dbraw/zinc/23/90/14/198239014.db2.gz RBJSPOLWEYLKKR-INIZCTEOSA-N 1 0 310.445 3.447 10 0 DGAERO CCn1c(C)nnc1CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000173924805 198270154 /nfs/dbraw/zinc/27/01/54/198270154.db2.gz GBJWIGPNMXIHNI-BLLLJJGKSA-N 1 0 302.397 3.329 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccncc3)C2)c1 ZINC000174107543 198292113 /nfs/dbraw/zinc/29/21/13/198292113.db2.gz TYDMVQBFDZTFOX-DOTOQJQBSA-N 1 0 311.429 3.410 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174105603 198292384 /nfs/dbraw/zinc/29/23/84/198292384.db2.gz CRLKPIXHTSIJAK-DLBZAZTESA-N 1 0 315.461 3.183 10 0 DGAERO Cc1nc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)sc1C ZINC000174180473 198302272 /nfs/dbraw/zinc/30/22/72/198302272.db2.gz GSGAKJIMJLYLAW-KGLIPLIRSA-N 1 0 322.478 3.239 10 0 DGAERO CSc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000174223013 198307911 /nfs/dbraw/zinc/30/79/11/198307911.db2.gz DCNKHVZIYLSQES-TZMCWYRMSA-N 1 0 307.463 3.355 10 0 DGAERO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC000174436434 198334832 /nfs/dbraw/zinc/33/48/32/198334832.db2.gz OAUNMQAJISOIQF-AGUYFDCRSA-N 1 0 305.397 3.271 10 0 DGAERO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1c1cccc(F)c1 ZINC000174444654 198335741 /nfs/dbraw/zinc/33/57/41/198335741.db2.gz NULWZFVDWUJIHE-DYVFJYSZSA-N 1 0 304.409 3.077 10 0 DGAERO CCCOc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174580164 198354810 /nfs/dbraw/zinc/35/48/10/198354810.db2.gz RWERSHJOPLIPAZ-HUUCEWRRSA-N 1 0 319.449 3.422 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc3cccnc32)CC[N@@H+]1C ZINC000174611278 198358621 /nfs/dbraw/zinc/35/86/21/198358621.db2.gz DVGBRILETRWIND-ZFWWWQNUSA-N 1 0 312.417 3.181 10 0 DGAERO CCc1cnc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)s1 ZINC000174899042 198398837 /nfs/dbraw/zinc/39/88/37/198398837.db2.gz VOSLTZHIFMPNBK-OLZOCXBDSA-N 1 0 322.478 3.185 10 0 DGAERO CC(C)[NH2+]C[C@@H](O)COc1ccccc1Oc1ccccc1 ZINC000003620432 181042147 /nfs/dbraw/zinc/04/21/47/181042147.db2.gz KKUNNAQTFRMRFW-OAHLLOKOSA-N 1 0 301.386 3.217 10 0 DGAERO c1nn(-c2ccccc2)cc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107697456 432036962 /nfs/dbraw/zinc/03/69/62/432036962.db2.gz HFBLDTWIIOZUHK-FQEVSTJZSA-N 1 0 324.472 3.323 10 0 DGAERO CCn1c(C[N@H+](C)C[C@H]2CCCOC2)nc2cc(F)ccc21 ZINC000107689183 432036701 /nfs/dbraw/zinc/03/67/01/432036701.db2.gz WTDQHJSFOLHRQI-CYBMUJFWSA-N 1 0 305.397 3.054 10 0 DGAERO Cc1nc(C(=O)NCCCC[NH+]2CCC(C)CC2)c(C)s1 ZINC000179126069 432043619 /nfs/dbraw/zinc/04/36/19/432043619.db2.gz OMMFYPPVGSQDJN-UHFFFAOYSA-N 1 0 309.479 3.002 10 0 DGAERO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000179150444 432045954 /nfs/dbraw/zinc/04/59/54/432045954.db2.gz JNDAYDMIVLPZLS-CQSZACIVSA-N 1 0 318.348 3.008 10 0 DGAERO CSCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000132163552 432046089 /nfs/dbraw/zinc/04/60/89/432046089.db2.gz RSOVZURWSYRNTD-WBVHZDCISA-N 1 0 320.502 3.251 10 0 DGAERO Clc1nc2c3ccccc3oc2c(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000073736296 191349086 /nfs/dbraw/zinc/34/90/86/191349086.db2.gz FYXJUHXRDHZFNK-SNVBAGLBSA-N 1 0 316.792 3.441 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCC1=CCCC1 ZINC000164176431 432045832 /nfs/dbraw/zinc/04/58/32/432045832.db2.gz BGEJTXDOUDOWHZ-MRXNPFEDSA-N 1 0 307.482 3.441 10 0 DGAERO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2ccsc2)nc1 ZINC000075501988 191481079 /nfs/dbraw/zinc/48/10/79/191481079.db2.gz YRBZGDPCIJSVFW-UHFFFAOYSA-N 1 0 315.442 3.026 10 0 DGAERO CS[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC000179165765 432047635 /nfs/dbraw/zinc/04/76/35/432047635.db2.gz OOLHZUNZJKZRPY-SJORKVTESA-N 1 0 320.502 3.327 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)C1 ZINC000164495705 432048307 /nfs/dbraw/zinc/04/83/07/432048307.db2.gz FZOPOHLZXPRUFC-NEPJUHHUSA-N 1 0 324.384 3.279 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2CCC3(CCC3)C2)[C@H]1c1ccccc1 ZINC000245688671 283122599 /nfs/dbraw/zinc/12/25/99/283122599.db2.gz WSOAGSLYHXSCGG-DLBZAZTESA-N 1 0 313.445 3.017 10 0 DGAERO Cc1ccc(-c2ccc(=O)n(CC[NH+]3CCCCC3)n2)cc1C ZINC000005401927 181239290 /nfs/dbraw/zinc/23/92/90/181239290.db2.gz LPVSYBAMASRYHP-UHFFFAOYSA-N 1 0 311.429 3.013 10 0 DGAERO CC[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(OC(F)F)cc1 ZINC000164775910 432052373 /nfs/dbraw/zinc/05/23/73/432052373.db2.gz VOJVWHVNTSYETC-KGLIPLIRSA-N 1 0 322.359 3.455 10 0 DGAERO C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179264492 432052388 /nfs/dbraw/zinc/05/23/88/432052388.db2.gz KNBVBDJGCQTGQB-DJIMGWMZSA-N 1 0 301.434 3.016 10 0 DGAERO CC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1nccs1 ZINC000080262726 192017619 /nfs/dbraw/zinc/01/76/19/192017619.db2.gz JKQMMXOXFWPASC-AWEZNQCLSA-N 1 0 302.447 3.248 10 0 DGAERO Cc1ccc(CCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000080718811 192185562 /nfs/dbraw/zinc/18/55/62/192185562.db2.gz KHFCSCZXARDTRX-AYHJJNSGSA-N 1 0 300.446 3.059 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000184311397 199702385 /nfs/dbraw/zinc/70/23/85/199702385.db2.gz HGDCNYCAZLPPPO-KBPBESRZSA-N 1 0 318.442 3.205 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)ccc1F ZINC000179423988 432057210 /nfs/dbraw/zinc/05/72/10/432057210.db2.gz XPBBMNKHDWZJMG-LSKLOWJMSA-N 1 0 301.361 3.143 10 0 DGAERO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000165998531 432057603 /nfs/dbraw/zinc/05/76/03/432057603.db2.gz XUAOEQTZSFZPDE-SJLPKXTDSA-N 1 0 320.477 3.155 10 0 DGAERO O=C(NCC1(C2CC2)CCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000133246515 432059429 /nfs/dbraw/zinc/05/94/29/432059429.db2.gz XXCXYFQVLYMMKV-KRWDZBQOSA-N 1 0 319.493 3.227 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc2ccc(Cl)cc12 ZINC000133321601 432060103 /nfs/dbraw/zinc/06/01/03/432060103.db2.gz DBCBVLNHJLMFAY-ZDUSSCGKSA-N 1 0 322.861 3.308 10 0 DGAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c(C)s1 ZINC000166475281 432060703 /nfs/dbraw/zinc/06/07/03/432060703.db2.gz AMSUOVZBRSNYPF-UKRRQHHQSA-N 1 0 318.490 3.418 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccs1 ZINC000166532611 432060893 /nfs/dbraw/zinc/06/08/93/432060893.db2.gz ABILCLRHTCXWSG-HIFRSBDPSA-N 1 0 304.463 3.191 10 0 DGAERO C[NH2+]C1CCN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC1 ZINC000237060209 202138894 /nfs/dbraw/zinc/13/88/94/202138894.db2.gz BUXFOHUQMNYSSH-UHFFFAOYSA-N 1 0 308.853 3.119 10 0 DGAERO C[C@@H](CO)[C@@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000166905172 432062558 /nfs/dbraw/zinc/06/25/58/432062558.db2.gz JGDKCEJYKCVRDW-LLHLAHMLSA-N 1 0 312.251 3.302 10 0 DGAERO CN(C(=O)CSc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237210852 202190712 /nfs/dbraw/zinc/19/07/12/202190712.db2.gz LCSWJYZEVUHHIF-FUNVUKJBSA-N 1 0 324.877 3.174 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179612730 432065081 /nfs/dbraw/zinc/06/50/81/432065081.db2.gz ASNRGPURESPDIJ-NSHDSACASA-N 1 0 314.376 3.243 10 0 DGAERO COCCOc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179620061 432065148 /nfs/dbraw/zinc/06/51/48/432065148.db2.gz JDOQTFQTSSUQHJ-CQSZACIVSA-N 1 0 317.351 3.486 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1cncc(F)c1 ZINC000167497425 432065717 /nfs/dbraw/zinc/06/57/17/432065717.db2.gz NRYFCIBKMMJNSD-SMDDNHRTSA-N 1 0 321.346 3.428 10 0 DGAERO CC[N@H+](Cc1cccs1)Cc1cnc2nc(C)cc(C)n12 ZINC000179720501 432068248 /nfs/dbraw/zinc/06/82/48/432068248.db2.gz ASCNWAZSPLCMMM-UHFFFAOYSA-N 1 0 300.431 3.430 10 0 DGAERO COc1c(C)ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000179734790 432069621 /nfs/dbraw/zinc/06/96/21/432069621.db2.gz OMEBMYVZQASGFY-ZFWWWQNUSA-N 1 0 317.433 3.012 10 0 DGAERO C[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)C1CCOCC1 ZINC000179837863 432072308 /nfs/dbraw/zinc/07/23/08/432072308.db2.gz YSHORTZZNWIQCF-LBPRGKRZSA-N 1 0 304.365 3.385 10 0 DGAERO COCc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000179221123 199000191 /nfs/dbraw/zinc/00/01/91/199000191.db2.gz WSVGBBLTSFJQNI-GOSISDBHSA-N 1 0 311.429 3.162 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000179330370 199016894 /nfs/dbraw/zinc/01/68/94/199016894.db2.gz IYDPNDAYJOJDRR-CYBMUJFWSA-N 1 0 305.809 3.072 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000179403218 199029614 /nfs/dbraw/zinc/02/96/14/199029614.db2.gz GFCWIFCYZSIEOL-KBXCAEBGSA-N 1 0 314.429 3.145 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+](C)[C@@H]3CCc4ccccc43)cnc2n1 ZINC000179907317 432073787 /nfs/dbraw/zinc/07/37/87/432073787.db2.gz NFBNWXJJZLBFIZ-GOSISDBHSA-N 1 0 306.413 3.465 10 0 DGAERO Clc1cccc(-c2n[nH]cc2CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179548936 199053363 /nfs/dbraw/zinc/05/33/63/199053363.db2.gz UJIKLANZQJPRJH-MRXNPFEDSA-N 1 0 316.836 3.010 10 0 DGAERO CCOc1c(Cl)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000179546127 199053426 /nfs/dbraw/zinc/05/34/26/199053426.db2.gz YETDAVDZCHFULC-CQSZACIVSA-N 1 0 324.852 3.027 10 0 DGAERO C[NH+](C)C1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000134120526 432074080 /nfs/dbraw/zinc/07/40/80/432074080.db2.gz HOTNROISGGXAAZ-UHFFFAOYSA-N 1 0 315.244 3.089 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)C1CCOCC1 ZINC000179843690 199087058 /nfs/dbraw/zinc/08/70/58/199087058.db2.gz SFWSXWUVJMKJRQ-ZDUSSCGKSA-N 1 0 322.474 3.365 10 0 DGAERO CC(C)C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000179805521 199082092 /nfs/dbraw/zinc/08/20/92/199082092.db2.gz AKVKRMRCGLQGML-AVGNSLFASA-N 1 0 318.425 3.110 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000179883960 199091442 /nfs/dbraw/zinc/09/14/42/199091442.db2.gz GSVWPSCOQUIMJC-CRAIPNDOSA-N 1 0 312.461 3.239 10 0 DGAERO c1cn(CC[NH2+]C2c3ccccc3CCc3ccccc32)cn1 ZINC000179992398 199103968 /nfs/dbraw/zinc/10/39/68/199103968.db2.gz AIZZAHCBQAXHFW-UHFFFAOYSA-N 1 0 303.409 3.361 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000180127574 199120196 /nfs/dbraw/zinc/12/01/96/199120196.db2.gz PYVKCXFYAPSDMM-MOTZXUDYSA-N 1 0 311.429 3.378 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H]1c1ccccc1 ZINC000180156319 199123976 /nfs/dbraw/zinc/12/39/76/199123976.db2.gz YCJIETYBEIRNIQ-SJORKVTESA-N 1 0 316.351 3.140 10 0 DGAERO C[C@H](NC(=O)Nc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180303047 199144074 /nfs/dbraw/zinc/14/40/74/199144074.db2.gz RVWSQXDDDKDXMU-GJZGRUSLSA-N 1 0 301.434 3.461 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2c(C3CC3)nc3sccn23)CC[N@@H+]1C ZINC000180423109 199157837 /nfs/dbraw/zinc/15/78/37/199157837.db2.gz SXSVARFTDXMOAN-GXTWGEPZSA-N 1 0 318.490 3.188 10 0 DGAERO COc1ccc(C[NH2+]CC2(O)CCC(C(C)(C)C)CC2)cc1O ZINC000237333741 202234498 /nfs/dbraw/zinc/23/44/98/202234498.db2.gz WWXNXTGKZCUDIB-UHFFFAOYSA-N 1 0 321.461 3.458 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)CC2 ZINC000180499606 199167206 /nfs/dbraw/zinc/16/72/06/199167206.db2.gz BIIQRNCXDQPPDB-QZTJIDSGSA-N 1 0 324.472 3.327 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000180585188 199179679 /nfs/dbraw/zinc/17/96/79/199179679.db2.gz RKOJLDJDPAXFOR-QUCCMNQESA-N 1 0 308.425 3.295 10 0 DGAERO C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000237394798 202253185 /nfs/dbraw/zinc/25/31/85/202253185.db2.gz RVADJIWWPCHSOS-IAQYHMDHSA-N 1 0 314.351 3.415 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180602954 199182916 /nfs/dbraw/zinc/18/29/16/199182916.db2.gz ZZUNJNSXFWBOEX-ZYHUDNBSSA-N 1 0 319.478 3.006 10 0 DGAERO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000170652352 432076057 /nfs/dbraw/zinc/07/60/57/432076057.db2.gz UQVZKTCPJWUBFL-LSDHHAIUSA-N 1 0 306.450 3.047 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+]CCCNC(=O)c2cccs2)s1 ZINC000180831086 199215105 /nfs/dbraw/zinc/21/51/05/199215105.db2.gz TTZHUVPMZBJKBN-JTQLQIEISA-N 1 0 323.487 3.292 10 0 DGAERO CCCc1cnc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000180795788 199210149 /nfs/dbraw/zinc/21/01/49/199210149.db2.gz GEEJKDKALBSLBO-GFCCVEGCSA-N 1 0 310.467 3.044 10 0 DGAERO CCCc1cnc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000180795770 199210354 /nfs/dbraw/zinc/21/03/54/199210354.db2.gz GEEJKDKALBSLBO-LBPRGKRZSA-N 1 0 310.467 3.044 10 0 DGAERO Cc1ccc(F)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180111210 432078527 /nfs/dbraw/zinc/07/85/27/432078527.db2.gz VFNFNGTWQLKTRN-ZWKOTPCHSA-N 1 0 312.388 3.309 10 0 DGAERO C[N@@H+]1CCC[C@H]1CCN[C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000180145482 432079413 /nfs/dbraw/zinc/07/94/13/432079413.db2.gz RHTYNKCGCXZNFR-DLBZAZTESA-N 1 0 318.461 3.143 10 0 DGAERO CS[C@H]1CCCC[N@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000134588243 432080939 /nfs/dbraw/zinc/08/09/39/432080939.db2.gz TYDJKDKYRGRJLK-WFASDCNBSA-N 1 0 301.402 3.216 10 0 DGAERO COCCOCC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180235252 432081756 /nfs/dbraw/zinc/08/17/56/432081756.db2.gz VUTRZYYUVVROHP-UHFFFAOYSA-N 1 0 311.425 3.127 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)n1 ZINC000089518523 192808429 /nfs/dbraw/zinc/80/84/29/192808429.db2.gz BXMIRTXITYHAFX-VIFPVBQESA-N 1 0 315.295 3.170 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000186717906 199997054 /nfs/dbraw/zinc/99/70/54/199997054.db2.gz WRPZTGITIOOPDI-RDTXWAMCSA-N 1 0 310.397 3.207 10 0 DGAERO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1F ZINC000186830590 200017627 /nfs/dbraw/zinc/01/76/27/200017627.db2.gz BWOFJENXPNYWSY-YQQAZPJKSA-N 1 0 322.468 3.427 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3cccnn3)C1)CC2 ZINC000089732472 192851807 /nfs/dbraw/zinc/85/18/07/192851807.db2.gz JRMPAWZOBPNEPC-FUHWJXTLSA-N 1 0 308.429 3.031 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000186917206 200030568 /nfs/dbraw/zinc/03/05/68/200030568.db2.gz MGIHAZQQKFOBKB-KBPBESRZSA-N 1 0 309.475 3.113 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000186917224 200030718 /nfs/dbraw/zinc/03/07/18/200030718.db2.gz MGIHAZQQKFOBKB-ZIAGYGMSSA-N 1 0 309.475 3.113 10 0 DGAERO CC[C@H]1C[N@H+](CCCCc2ccccc2)CCN1CCOC ZINC000186971499 200041593 /nfs/dbraw/zinc/04/15/93/200041593.db2.gz SWLIBYBFRCDGEM-IBGZPJMESA-N 1 0 304.478 3.052 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000170863060 432084744 /nfs/dbraw/zinc/08/47/44/432084744.db2.gz RQFXVJAGABYDLA-LJQANCHMSA-N 1 0 322.452 3.371 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc2c(c1)OCO2 ZINC000180398757 432084991 /nfs/dbraw/zinc/08/49/91/432084991.db2.gz KUXNRUWBHYXKJK-IUODEOHRSA-N 1 0 324.380 3.192 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2c3ccccc3NC2=O)cc1 ZINC000180398925 432085001 /nfs/dbraw/zinc/08/50/01/432085001.db2.gz GRRJFBDATZSQTN-CXAGYDPISA-N 1 0 310.397 3.472 10 0 DGAERO COCC1=CC[N@H+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000187623670 200136026 /nfs/dbraw/zinc/13/60/26/200136026.db2.gz OOEOSZYWCNHDDL-UHFFFAOYSA-N 1 0 324.424 3.439 10 0 DGAERO Cc1nccnc1[C@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000187673357 200142549 /nfs/dbraw/zinc/14/25/49/200142549.db2.gz UNTGOUWMHDTSLY-INIZCTEOSA-N 1 0 310.445 3.100 10 0 DGAERO Cc1nc2cc(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)ccc2o1 ZINC000237570254 202289070 /nfs/dbraw/zinc/28/90/70/202289070.db2.gz HVSKDTYCTZYWKG-LLVKDONJSA-N 1 0 301.390 3.101 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1c3ccccc3NC1=O)CC2 ZINC000180382275 432085524 /nfs/dbraw/zinc/08/55/24/432085524.db2.gz BPVAHRXEHREZAO-WMZOPIPTSA-N 1 0 322.408 3.398 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c(C3CC3)nc3sccn23)CC[C@@H]1C ZINC000188313200 200225792 /nfs/dbraw/zinc/22/57/92/200225792.db2.gz VWICHLHDQSIVRC-FZMZJTMJSA-N 1 0 305.447 3.130 10 0 DGAERO Cc1ccccc1C1(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CCCCC1 ZINC000237694184 202330109 /nfs/dbraw/zinc/33/01/09/202330109.db2.gz COZAPMLLFNPDJE-IRXDYDNUSA-N 1 0 314.473 3.441 10 0 DGAERO C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000188561176 200266748 /nfs/dbraw/zinc/26/67/48/200266748.db2.gz CVFTWDJNNMSRAA-MAUKXSAKSA-N 1 0 316.445 3.426 10 0 DGAERO FC(F)c1nc2ccccc2c(N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000420253802 237692420 /nfs/dbraw/zinc/69/24/20/237692420.db2.gz QNBCNWNCZHMFGP-KRWDZBQOSA-N 1 0 318.371 3.147 10 0 DGAERO Cc1nn(-c2ccccc2)cc1CCC[NH2+]CC1CCOCC1 ZINC000237894128 202381897 /nfs/dbraw/zinc/38/18/97/202381897.db2.gz CGUXVWAGXFILJV-UHFFFAOYSA-N 1 0 313.445 3.130 10 0 DGAERO C[C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1cc2ccccc2o1 ZINC000188725846 200294093 /nfs/dbraw/zinc/29/40/93/200294093.db2.gz OOYAUISQFDJQIP-CYBMUJFWSA-N 1 0 320.392 3.456 10 0 DGAERO CCC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccccn1 ZINC000180507834 432087734 /nfs/dbraw/zinc/08/77/34/432087734.db2.gz STFBNYVBAWUQPC-HOCLYGCPSA-N 1 0 313.449 3.242 10 0 DGAERO CCCOc1c(C[N@H+](C)CC2(CO)CC2)cccc1OCC ZINC000188956059 200327265 /nfs/dbraw/zinc/32/72/65/200327265.db2.gz ACWOHSLFWPPWMK-UHFFFAOYSA-N 1 0 307.434 3.078 10 0 DGAERO CC[C@H]1C[N@@H+]([C@@H](C)CCc2ccccc2)CCN1CCOC ZINC000170940347 432087987 /nfs/dbraw/zinc/08/79/87/432087987.db2.gz MEGFDDSMNMZDID-HKUYNNGSSA-N 1 0 304.478 3.050 10 0 DGAERO COCCC1(C[NH2+]C[C@H](O)c2ccccc2OC)CCCCC1 ZINC000189072618 200343832 /nfs/dbraw/zinc/34/38/32/200343832.db2.gz HJHDBAODHJSDMG-KRWDZBQOSA-N 1 0 321.461 3.305 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189275480 200373707 /nfs/dbraw/zinc/37/37/07/200373707.db2.gz MDCAVUKPHIYICH-IBGZPJMESA-N 1 0 322.408 3.375 10 0 DGAERO CO[C@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)CC[C@@H]1C ZINC000189370175 200388852 /nfs/dbraw/zinc/38/88/52/200388852.db2.gz KRWXOBCAHVOHIP-HOCLYGCPSA-N 1 0 315.417 3.026 10 0 DGAERO C[NH+](C)CCNC(=O)c1cccc2cc(-c3ccccc3)cnc21 ZINC000005957869 181300967 /nfs/dbraw/zinc/30/09/67/181300967.db2.gz INTAOFYQFWWHSC-UHFFFAOYSA-N 1 0 319.408 3.193 10 0 DGAERO C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000190022644 200476261 /nfs/dbraw/zinc/47/62/61/200476261.db2.gz GTBMNLQFYFRLAW-MAUKXSAKSA-N 1 0 316.445 3.079 10 0 DGAERO c1ccc(CN2CCSC[C@H]2C[NH2+][C@@H]2CCCSC2)cc1 ZINC000428534538 238024392 /nfs/dbraw/zinc/02/43/92/238024392.db2.gz KDYNLPNDJGFLSW-IAGOWNOFSA-N 1 0 322.543 3.089 10 0 DGAERO CSCCCC[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180578134 432090865 /nfs/dbraw/zinc/09/08/65/432090865.db2.gz VIMUMUAILIPMRV-MRXNPFEDSA-N 1 0 307.438 3.381 10 0 DGAERO CC(C)[C@@H](CSc1ccccc1)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000180585452 432091991 /nfs/dbraw/zinc/09/19/91/432091991.db2.gz CZVFVOKQZPSSSQ-GDBMZVCRSA-N 1 0 306.475 3.014 10 0 DGAERO c1c(C[NH2+]C[C@@H]2CCCCN2C2CC2)[nH]nc1-c1ccccc1 ZINC000434789817 238246662 /nfs/dbraw/zinc/24/66/62/238246662.db2.gz ZYJVCFZIASBLAR-SFHVURJKSA-N 1 0 310.445 3.183 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)CC2 ZINC000180623407 432093788 /nfs/dbraw/zinc/09/37/88/432093788.db2.gz FFTZTFFWCQZKOX-PWSUYJOCSA-N 1 0 322.815 3.299 10 0 DGAERO C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000191987669 200792293 /nfs/dbraw/zinc/79/22/93/200792293.db2.gz YIXXDXNMFHLZCD-PBHICJAKSA-N 1 0 302.418 3.036 10 0 DGAERO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000054322196 283612877 /nfs/dbraw/zinc/61/28/77/283612877.db2.gz PGAWBQLPWOYFLG-SJORKVTESA-N 1 0 324.509 3.303 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000192555034 200901029 /nfs/dbraw/zinc/90/10/29/200901029.db2.gz DSWOVUDYIJLYSQ-LRDDRELGSA-N 1 0 304.365 3.038 10 0 DGAERO COC(=O)C1(C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000192752031 200935430 /nfs/dbraw/zinc/93/54/30/200935430.db2.gz VKKWPQHNJJMCSI-VXGBXAGGSA-N 1 0 318.442 3.331 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)CC[C@@H](C)[NH3+])C2)n1 ZINC000193319103 201028363 /nfs/dbraw/zinc/02/83/63/201028363.db2.gz JHNNSSBMLOHIFI-CHWSQXEVSA-N 1 0 309.479 3.100 10 0 DGAERO C[C@H]([NH3+])CCC(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000193216851 201008478 /nfs/dbraw/zinc/00/84/78/201008478.db2.gz QSUKCECXHZLMLF-AWEZNQCLSA-N 1 0 306.425 3.271 10 0 DGAERO Cc1ccc(Br)cc1C[NH2+][C@H](C)c1ccnn1C ZINC000193330054 201031087 /nfs/dbraw/zinc/03/10/87/201031087.db2.gz YRNBCEZIYWANDY-LLVKDONJSA-N 1 0 308.223 3.342 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)o1 ZINC000193601286 201083458 /nfs/dbraw/zinc/08/34/58/201083458.db2.gz HUICRIKVLALQCZ-HZPDHXFCSA-N 1 0 303.402 3.295 10 0 DGAERO Cc1ccc([C@H]([NH2+]CCC(=O)N(C)C)c2ccccc2)c(C)c1 ZINC000193873503 201136552 /nfs/dbraw/zinc/13/65/52/201136552.db2.gz LSDQJFGNQXNEPW-HXUWFJFHSA-N 1 0 310.441 3.461 10 0 DGAERO O=C(Nc1ccc2cc[nH]c2c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000194334114 201204853 /nfs/dbraw/zinc/20/48/53/201204853.db2.gz FOVCTGOMVPJYSC-INIZCTEOSA-N 1 0 312.417 3.260 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)s1 ZINC000194339153 201205711 /nfs/dbraw/zinc/20/57/11/201205711.db2.gz SMSUWVDLMZONEB-KGLIPLIRSA-N 1 0 316.474 3.420 10 0 DGAERO Fc1ccc(-c2nc(CC[NH2+]C[C@H]3CCC=CO3)co2)cc1 ZINC000194428687 201225860 /nfs/dbraw/zinc/22/58/60/201225860.db2.gz CEYNTOUNGWGVHN-MRXNPFEDSA-N 1 0 302.349 3.306 10 0 DGAERO C[NH+](C)C[C@H]1CCN(CCc2cc(Cl)cc(Cl)c2)C1 ZINC000194514989 201241744 /nfs/dbraw/zinc/24/17/44/201241744.db2.gz SFWBSBVTDDAKPZ-CYBMUJFWSA-N 1 0 301.261 3.419 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c(F)c2)C1 ZINC000246137576 432098047 /nfs/dbraw/zinc/09/80/47/432098047.db2.gz ASCFIXLMGKUETI-CABCVRRESA-N 1 0 321.440 3.178 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2COc3ccccc3O2)C1 ZINC000442641054 239103667 /nfs/dbraw/zinc/10/36/67/239103667.db2.gz CAXGNZNDKHOOSZ-KGLIPLIRSA-N 1 0 320.392 3.065 10 0 DGAERO C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443625302 239219695 /nfs/dbraw/zinc/21/96/95/239219695.db2.gz JUGSTOHMUJBWBY-DYEKYZERSA-N 1 0 301.352 3.339 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000195270411 201371264 /nfs/dbraw/zinc/37/12/64/201371264.db2.gz XTCKZWUYWSDDMZ-LBPRGKRZSA-N 1 0 302.374 3.194 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000195270398 201371699 /nfs/dbraw/zinc/37/16/99/201371699.db2.gz XTCKZWUYWSDDMZ-GFCCVEGCSA-N 1 0 302.374 3.194 10 0 DGAERO CC1(C)CCC[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000171067116 432099969 /nfs/dbraw/zinc/09/99/69/432099969.db2.gz CCJNEJNRXPXRGO-KRWDZBQOSA-N 1 0 300.446 3.445 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2F)[C@@H](C)C1 ZINC000245993833 202556784 /nfs/dbraw/zinc/55/67/84/202556784.db2.gz IVAQGOSAIUUVJO-BBRMVZONSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1C[C@@H]1C ZINC000247025463 202638499 /nfs/dbraw/zinc/63/84/99/202638499.db2.gz NEKHIZHSGVQBLE-OPQQBVKSSA-N 1 0 316.323 3.300 10 0 DGAERO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[C@@H]1C ZINC000247179020 202651572 /nfs/dbraw/zinc/65/15/72/202651572.db2.gz ZCBFGRSHALIMLU-OPQQBVKSSA-N 1 0 300.324 3.421 10 0 DGAERO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246180591 432103885 /nfs/dbraw/zinc/10/38/85/432103885.db2.gz KEAMYGZFCGNMLD-GGJYVOIKSA-N 1 0 307.482 3.126 10 0 DGAERO CC[C@H](C)NC(=O)CC[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449092865 240015448 /nfs/dbraw/zinc/01/54/48/240015448.db2.gz VMABPOPAGDRWGG-AWEZNQCLSA-N 1 0 314.429 3.243 10 0 DGAERO Fc1ccc(OCC[NH2+]Cc2ccnn2C2CCCC2)c(F)c1 ZINC000449124785 240029348 /nfs/dbraw/zinc/02/93/48/240029348.db2.gz HHZFBZAVWKRFPC-UHFFFAOYSA-N 1 0 321.371 3.445 10 0 DGAERO Cc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449090722 240013217 /nfs/dbraw/zinc/01/32/17/240013217.db2.gz OOXBRVIAZSXTHT-OAHLLOKOSA-N 1 0 317.454 3.119 10 0 DGAERO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000449312268 240126298 /nfs/dbraw/zinc/12/62/98/240126298.db2.gz LZRXMOANQHPCLG-JKSUJKDBSA-N 1 0 318.461 3.081 10 0 DGAERO c1c2cccnc2oc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000449246631 240090482 /nfs/dbraw/zinc/09/04/82/240090482.db2.gz CMJOLPBIIFXAND-IBGZPJMESA-N 1 0 306.365 3.459 10 0 DGAERO c1nc(C2OCCO2)sc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000292985761 223339045 /nfs/dbraw/zinc/33/90/45/223339045.db2.gz LPGGSILLICJSRX-ZFWWWQNUSA-N 1 0 316.426 3.082 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000189920670 432104736 /nfs/dbraw/zinc/10/47/36/432104736.db2.gz APKGVRVDIVYUMB-HNNXBMFYSA-N 1 0 324.494 3.030 10 0 DGAERO Cc1nc(C[NH2+][C@@H](C)C2CCOCC2)sc1Br ZINC000449403179 240180219 /nfs/dbraw/zinc/18/02/19/240180219.db2.gz VBMICZRIBJRDNJ-QMMMGPOBSA-N 1 0 319.268 3.119 10 0 DGAERO CC[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449405818 240181279 /nfs/dbraw/zinc/18/12/79/240181279.db2.gz OKWQIMPUOXUGTM-HOTGVXAUSA-N 1 0 309.475 3.396 10 0 DGAERO COc1ccc(OC)c(C[NH2+]CC(C)(C)C2(O)CCCC2)c1 ZINC000449737964 240392104 /nfs/dbraw/zinc/39/21/04/240392104.db2.gz WLHNQGAQVSBEIZ-UHFFFAOYSA-N 1 0 307.434 3.125 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)o1 ZINC000189937243 432105907 /nfs/dbraw/zinc/10/59/07/432105907.db2.gz HBCVTSNCQYRCGW-VIFPVBQESA-N 1 0 301.255 3.453 10 0 DGAERO CC(C)[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1 ZINC000091285772 193031638 /nfs/dbraw/zinc/03/16/38/193031638.db2.gz KQXBZBLTRHSSPJ-QGZVFWFLSA-N 1 0 307.401 3.149 10 0 DGAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)c2ccccc21 ZINC000180927745 432106624 /nfs/dbraw/zinc/10/66/24/432106624.db2.gz IHKGWERWIJITGL-QAPCUYQASA-N 1 0 322.456 3.458 10 0 DGAERO CC(C)[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 ZINC000091347347 193044878 /nfs/dbraw/zinc/04/48/78/193044878.db2.gz XAUASNXQILRMSZ-IEBWSBKVSA-N 1 0 312.461 3.376 10 0 DGAERO COc1ccccc1[C@H]([NH2+]CCc1nc(C)no1)C1CCCC1 ZINC000091372722 193047027 /nfs/dbraw/zinc/04/70/27/193047027.db2.gz UDTSBAKQKNRMRQ-GOSISDBHSA-N 1 0 315.417 3.450 10 0 DGAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCCNC(=O)C(F)(F)F)o1 ZINC000091581480 193075448 /nfs/dbraw/zinc/07/54/48/193075448.db2.gz DLTNPSBIKUVYSQ-GFCCVEGCSA-N 1 0 318.339 3.184 10 0 DGAERO C[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)CC1CC(O)C1 ZINC000091499545 193064796 /nfs/dbraw/zinc/06/47/96/193064796.db2.gz BRMJGTSLSWOHMC-UHFFFAOYSA-N 1 0 306.793 3.198 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)o1 ZINC000091685646 193092219 /nfs/dbraw/zinc/09/22/19/193092219.db2.gz YFRWOQRUTCWAQK-OAHLLOKOSA-N 1 0 313.401 3.142 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3nccs3)C2)c1 ZINC000091726236 193097828 /nfs/dbraw/zinc/09/78/28/193097828.db2.gz DQWQQOIMNYQBCF-UONOGXRCSA-N 1 0 317.458 3.471 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1nccs1 ZINC000091736258 193099124 /nfs/dbraw/zinc/09/91/24/193099124.db2.gz WMTRVTUMEGMZCS-MNOVXSKESA-N 1 0 308.838 3.121 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1nccs1 ZINC000091735385 193099346 /nfs/dbraw/zinc/09/93/46/193099346.db2.gz KZKYJOHBGRWPQK-GHMZBOCLSA-N 1 0 309.385 3.351 10 0 DGAERO CO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000091772271 193105582 /nfs/dbraw/zinc/10/55/82/193105582.db2.gz RZGSUYXODHTEAY-QGZVFWFLSA-N 1 0 300.377 3.499 10 0 DGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180966768 432108038 /nfs/dbraw/zinc/10/80/38/432108038.db2.gz NTQMNHRUILGLLJ-KGLIPLIRSA-N 1 0 314.385 3.206 10 0 DGAERO COC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000189977790 432108255 /nfs/dbraw/zinc/10/82/55/432108255.db2.gz WCLMXHVIYOJSHF-UWVGGRQHSA-N 1 0 302.212 3.143 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC000171146986 432108258 /nfs/dbraw/zinc/10/82/58/432108258.db2.gz WWYFNXPBJCCFPA-OAHLLOKOSA-N 1 0 315.417 3.409 10 0 DGAERO COc1cc(Br)ccc1C[NH2+]C[C@]1(C)CCCO1 ZINC000180956800 432108473 /nfs/dbraw/zinc/10/84/73/432108473.db2.gz QWDHZNPPKAQJKA-AWEZNQCLSA-N 1 0 314.223 3.116 10 0 DGAERO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180966730 432108612 /nfs/dbraw/zinc/10/86/12/432108612.db2.gz NTQMNHRUILGLLJ-KBPBESRZSA-N 1 0 314.385 3.206 10 0 DGAERO CC[N@H+](CC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C)C1CC1 ZINC000246225507 432109181 /nfs/dbraw/zinc/10/91/81/432109181.db2.gz FALSATNJWALVON-HIFRSBDPSA-N 1 0 304.409 3.014 10 0 DGAERO Cc1cc(Cl)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1C ZINC000180986779 432110146 /nfs/dbraw/zinc/11/01/46/432110146.db2.gz JHWOKTNFYBYCIH-XJKSGUPXSA-N 1 0 308.853 3.415 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc(C)c(F)c2)C1 ZINC000246230558 432110723 /nfs/dbraw/zinc/11/07/23/432110723.db2.gz XFPCIKCAUDDIRU-CABCVRRESA-N 1 0 321.440 3.226 10 0 DGAERO CC[C@H]([NH2+][C@@H](C)Cc1c(OC)cc(OC)cc1OC)C1CC1 ZINC000453315303 241720609 /nfs/dbraw/zinc/72/06/09/241720609.db2.gz YAIFTFQTWZJAEB-LRDDRELGSA-N 1 0 307.434 3.422 10 0 DGAERO CCc1nc(C)c(NC(=O)NC(C)(C)C[NH+]2CCCC2)s1 ZINC000455203049 242132753 /nfs/dbraw/zinc/13/27/53/242132753.db2.gz JSIKKSJWBPYGEI-UHFFFAOYSA-N 1 0 310.467 3.010 10 0 DGAERO CC/C=C/CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000455296503 242161431 /nfs/dbraw/zinc/16/14/31/242161431.db2.gz IQUPUBWTNJDQRN-QNKPMFPBSA-N 1 0 321.490 3.396 10 0 DGAERO COc1cccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1F ZINC000090191423 283984413 /nfs/dbraw/zinc/98/44/13/283984413.db2.gz GETRNAWSMASHIB-OAHLLOKOSA-N 1 0 322.424 3.075 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccncc1 ZINC000173343274 299378752 /nfs/dbraw/zinc/37/87/52/299378752.db2.gz BMGBZVYOWGVXSX-NUEKZKHPSA-N 1 0 319.449 3.426 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000090938218 283996018 /nfs/dbraw/zinc/99/60/18/283996018.db2.gz CRLGQHDKIBQIEZ-JKSUJKDBSA-N 1 0 321.424 3.444 10 0 DGAERO Cc1ccc([C@H]([NH2+]CCNC(=O)c2ccccc2)C2CC2)cc1 ZINC000091311040 283999817 /nfs/dbraw/zinc/99/98/17/283999817.db2.gz QSZUQXSJJJKMHB-IBGZPJMESA-N 1 0 308.425 3.466 10 0 DGAERO Cc1nc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)sc1C ZINC000091630080 284003057 /nfs/dbraw/zinc/00/30/57/284003057.db2.gz CWTNTKZMTMHZCF-CYBMUJFWSA-N 1 0 317.462 3.066 10 0 DGAERO c1ccc(OCC2CC2)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597954 284013117 /nfs/dbraw/zinc/01/31/17/284013117.db2.gz WJBGDRNQIXUIIY-SFHVURJKSA-N 1 0 314.473 3.393 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C2CCC2)CC1 ZINC000102905382 284024324 /nfs/dbraw/zinc/02/43/24/284024324.db2.gz MMAFEYKYAGOLMS-QGZVFWFLSA-N 1 0 307.482 3.083 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc1F ZINC000102699473 284023371 /nfs/dbraw/zinc/02/33/71/284023371.db2.gz QVOULYZMZKBNTB-OLZOCXBDSA-N 1 0 322.424 3.322 10 0 DGAERO COCCOc1cccc(C[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000092223029 193176479 /nfs/dbraw/zinc/17/64/79/193176479.db2.gz UHPAMEBRHBJZDB-UHFFFAOYSA-N 1 0 321.461 3.349 10 0 DGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1Cl ZINC000105080347 284037899 /nfs/dbraw/zinc/03/78/99/284037899.db2.gz HCQBJFUUIUXHBX-ZIAGYGMSSA-N 1 0 321.852 3.281 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000108343599 284060140 /nfs/dbraw/zinc/06/01/40/284060140.db2.gz HNOXFGDKJNILHM-ZDUSSCGKSA-N 1 0 316.376 3.157 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Cc1ccccc1C(F)(F)F ZINC000459794006 243504622 /nfs/dbraw/zinc/50/46/22/243504622.db2.gz VYXSHZDDTPVFRD-DSRCVFDASA-N 1 0 313.363 3.387 10 0 DGAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]3CCOC3)C1)O2 ZINC000462796876 243689513 /nfs/dbraw/zinc/68/95/13/243689513.db2.gz YJZWPCVTBUCLIA-DZOHQFGASA-N 1 0 301.430 3.175 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(CC)CCCC2)[C@H](C)C1 ZINC000246309336 432118597 /nfs/dbraw/zinc/11/85/97/432118597.db2.gz BAXZTDGIAFUFCZ-CVEARBPZSA-N 1 0 309.498 3.329 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)NCC(C)(C)c1cccs1 ZINC000114587136 284109805 /nfs/dbraw/zinc/10/98/05/284109805.db2.gz GQLCYPKZCUBAGY-CYBMUJFWSA-N 1 0 311.495 3.055 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1F ZINC000246318923 432118997 /nfs/dbraw/zinc/11/89/97/432118997.db2.gz WURKHKSRDZQVSH-YCPHGPKFSA-N 1 0 319.424 3.073 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000114730212 284110777 /nfs/dbraw/zinc/11/07/77/284110777.db2.gz ZTYSHNVBWVFXOW-HNNXBMFYSA-N 1 0 304.434 3.392 10 0 DGAERO C[C@@H](CNC(=O)C(C)(C)c1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000115333632 284113521 /nfs/dbraw/zinc/11/35/21/284113521.db2.gz HQUXJYXXQUHGMR-KGLIPLIRSA-N 1 0 308.491 3.262 10 0 DGAERO O=C(Cc1ccc(Cl)c(F)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000468266716 244032554 /nfs/dbraw/zinc/03/25/54/244032554.db2.gz RYOLIKHGDNUWEH-UHFFFAOYSA-N 1 0 324.827 3.108 10 0 DGAERO CC(C)[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000115834144 284116876 /nfs/dbraw/zinc/11/68/76/284116876.db2.gz LOHFKOGPMODBLI-XJKSGUPXSA-N 1 0 323.868 3.383 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)CCC2CC2)CC1 ZINC000470329780 244165103 /nfs/dbraw/zinc/16/51/03/244165103.db2.gz CUOYCWDIHORPHS-HNNXBMFYSA-N 1 0 309.498 3.329 10 0 DGAERO CC(C)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000470360521 244168792 /nfs/dbraw/zinc/16/87/92/244168792.db2.gz CKNTXGHAGIFAIV-YPMHNXCESA-N 1 0 303.368 3.279 10 0 DGAERO CCC[N@@H+](Cc1ccc(N2CCCC2)nc1)C[C@@H]1CCCCO1 ZINC000093132393 193206438 /nfs/dbraw/zinc/20/64/38/193206438.db2.gz FIABYZBZOZIEHX-SFHVURJKSA-N 1 0 317.477 3.463 10 0 DGAERO CO[C@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000471827364 244255068 /nfs/dbraw/zinc/25/50/68/244255068.db2.gz QDTVBCVDFKVWOX-HOTGVXAUSA-N 1 0 305.418 3.299 10 0 DGAERO C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)c2ccccc21 ZINC000118995420 284131581 /nfs/dbraw/zinc/13/15/81/284131581.db2.gz OAKOEFNKHICUSP-FHERZECASA-N 1 0 315.461 3.440 10 0 DGAERO CC(C)C1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119003387 284132033 /nfs/dbraw/zinc/13/20/33/284132033.db2.gz CURPHRVPLKCYFQ-UHFFFAOYSA-N 1 0 309.498 3.184 10 0 DGAERO COc1ccc(Br)c(C[N@H+](C[C@@H](C)O)C(C)C)c1 ZINC000093144227 193208007 /nfs/dbraw/zinc/20/80/07/193208007.db2.gz WREKCDPMUKWTOA-LLVKDONJSA-N 1 0 316.239 3.049 10 0 DGAERO CC[C@@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119059784 284133478 /nfs/dbraw/zinc/13/34/78/284133478.db2.gz LVPXUYZFQDMUJD-KLAILNCOSA-N 1 0 309.498 3.329 10 0 DGAERO CC(C)[C@H]1CCCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119060194 284133516 /nfs/dbraw/zinc/13/35/16/284133516.db2.gz VDCZLMUZBCXDAN-OFLPRAFFSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H]1CCC[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119014311 284132424 /nfs/dbraw/zinc/13/24/24/284132424.db2.gz RKEADPDWBBPKDW-VXLLPVPCSA-N 1 0 309.498 3.327 10 0 DGAERO CC[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000119127265 284135512 /nfs/dbraw/zinc/13/55/12/284135512.db2.gz FETJOBVEWLWQHJ-SZMVWBNQSA-N 1 0 324.509 3.303 10 0 DGAERO CC[C@H]1CCCCCN1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000119138375 284135657 /nfs/dbraw/zinc/13/56/57/284135657.db2.gz PUFJQQBQHKGPPT-KRWDZBQOSA-N 1 0 309.498 3.471 10 0 DGAERO C[C@H](NC(=O)NCCCc1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000119455331 284143221 /nfs/dbraw/zinc/14/32/21/284143221.db2.gz NDTLFLSRFJIQSK-AWEZNQCLSA-N 1 0 323.456 3.034 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc2[nH]ccc21 ZINC000119490494 284144222 /nfs/dbraw/zinc/14/42/22/284144222.db2.gz UTJCYCYEIGJBIO-CQSZACIVSA-N 1 0 314.433 3.410 10 0 DGAERO CC[C@](C)(O)CN1CCc2c(Br)ccc(F)c2C1 ZINC000119493437 284144230 /nfs/dbraw/zinc/14/42/30/284144230.db2.gz HUELQSZXFLARDU-AWEZNQCLSA-N 1 0 316.214 3.107 10 0 DGAERO C[C@@H]([NH2+]CCc1ccccc1Br)C1CCOCC1 ZINC000474628252 244410635 /nfs/dbraw/zinc/41/06/35/244410635.db2.gz HNKJMYRGRHYOPR-GFCCVEGCSA-N 1 0 312.251 3.396 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2)CC[NH2+]1 ZINC000262397958 203283591 /nfs/dbraw/zinc/28/35/91/203283591.db2.gz NTJLDKDHTQOQBP-RDJZCZTQSA-N 1 0 312.413 3.197 10 0 DGAERO C[C@H]1CC(C[NH2+]Cc2cncc(Br)c2)C[C@H](C)O1 ZINC000282306299 216901814 /nfs/dbraw/zinc/90/18/14/216901814.db2.gz SFDDVNYECJMNDE-QWRGUYRKSA-N 1 0 313.239 3.137 10 0 DGAERO Cc1ccc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c(C)c1 ZINC000093271910 193222583 /nfs/dbraw/zinc/22/25/83/193222583.db2.gz WRDZBPHCJBUOTC-UHFFFAOYSA-N 1 0 310.445 3.114 10 0 DGAERO Cc1cc(F)ccc1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000093272612 193222806 /nfs/dbraw/zinc/22/28/06/193222806.db2.gz LATXUYZIKSZESZ-UHFFFAOYSA-N 1 0 314.408 3.025 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000093371742 193240619 /nfs/dbraw/zinc/24/06/19/193240619.db2.gz OODYJVRRKNZEEP-LBPRGKRZSA-N 1 0 318.490 3.266 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000120194660 284163071 /nfs/dbraw/zinc/16/30/71/284163071.db2.gz FTXPDOXBDLIAQU-HNNXBMFYSA-N 1 0 313.401 3.163 10 0 DGAERO COCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000093438433 193253136 /nfs/dbraw/zinc/25/31/36/193253136.db2.gz IFWOSTUFGWEEKI-SFHVURJKSA-N 1 0 315.417 3.162 10 0 DGAERO O=C(N[C@H]1CCCC(F)(F)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000488971287 284168909 /nfs/dbraw/zinc/16/89/09/284168909.db2.gz DWSKTJDTKRAZPR-KGLIPLIRSA-N 1 0 314.420 3.335 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CCN1C ZINC000093644467 193280328 /nfs/dbraw/zinc/28/03/28/193280328.db2.gz ANXXWZAZTZOPKH-DYVFJYSZSA-N 1 0 316.424 3.130 10 0 DGAERO COCCCOc1cccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000093645073 193280372 /nfs/dbraw/zinc/28/03/72/193280372.db2.gz SBYXPBFAMKTUII-AEFFLSMTSA-N 1 0 320.477 3.016 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(C(=O)N(C)C)[nH]2)cc1 ZINC000093535005 193266352 /nfs/dbraw/zinc/26/63/52/193266352.db2.gz GHAJLLQCVNTTOR-OAHLLOKOSA-N 1 0 313.445 3.088 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597732 193272787 /nfs/dbraw/zinc/27/27/87/193272787.db2.gz VYKNTIFCIZUQIW-CQSZACIVSA-N 1 0 324.900 3.115 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000093691938 193290525 /nfs/dbraw/zinc/29/05/25/193290525.db2.gz BBMANMVAXYFUNP-OAHLLOKOSA-N 1 0 317.458 3.390 10 0 DGAERO C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000246342977 432120915 /nfs/dbraw/zinc/12/09/15/432120915.db2.gz JEBQFIJBUHGYNL-HZPDHXFCSA-N 1 0 309.498 3.376 10 0 DGAERO CCSCC[C@@H](C)[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000093870964 193320576 /nfs/dbraw/zinc/32/05/76/193320576.db2.gz CPFGIPWMVKGCQN-CYBMUJFWSA-N 1 0 306.479 3.310 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246353505 432121113 /nfs/dbraw/zinc/12/11/13/432121113.db2.gz FVGQSOOACNOIDS-NNXHMXCWSA-N 1 0 309.498 3.183 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000093966278 193332311 /nfs/dbraw/zinc/33/23/11/193332311.db2.gz QVETYFWVGNAMRE-QGZVFWFLSA-N 1 0 321.490 3.425 10 0 DGAERO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094636065 193386303 /nfs/dbraw/zinc/38/63/03/193386303.db2.gz QRBLLEAPCOAFNC-FPCVCCKLSA-N 1 0 301.496 3.148 10 0 DGAERO CCC[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000120824763 284179045 /nfs/dbraw/zinc/17/90/45/284179045.db2.gz JRSHVHMQLYKMEU-KBPBESRZSA-N 1 0 320.399 3.299 10 0 DGAERO CCC(C)(CC)NC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000121007152 284184888 /nfs/dbraw/zinc/18/48/88/284184888.db2.gz NBSRPEXLTYUZHG-MRXNPFEDSA-N 1 0 321.465 3.176 10 0 DGAERO CCc1ccccc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000121035621 284185821 /nfs/dbraw/zinc/18/58/21/284185821.db2.gz KKRVVBYKYRGPEL-QGZVFWFLSA-N 1 0 300.446 3.340 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000482985412 244829090 /nfs/dbraw/zinc/82/90/90/244829090.db2.gz DFTYRVKIYGDHDR-KURKYZTESA-N 1 0 316.489 3.349 10 0 DGAERO C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)C[C@@H]1CC=CCC1 ZINC000121710740 284204159 /nfs/dbraw/zinc/20/41/59/284204159.db2.gz AGNOBEOXEOXWPB-SJORKVTESA-N 1 0 320.502 3.410 10 0 DGAERO CC(C)COc1ccc(C(C)(C)[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000121939506 284209316 /nfs/dbraw/zinc/20/93/16/284209316.db2.gz PFALQGBBPDHHEF-CQSZACIVSA-N 1 0 319.367 3.469 10 0 DGAERO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CN(C(C)C)C[C@@H]1C)CCC2 ZINC000181285228 432121951 /nfs/dbraw/zinc/12/19/51/432121951.db2.gz NGTKLGLFTXHCMY-GUTXKFCHSA-N 1 0 307.507 3.401 10 0 DGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000487270008 245042466 /nfs/dbraw/zinc/04/24/66/245042466.db2.gz IZYZTPHFULIFTE-SDDRHHMPSA-N 1 0 312.255 3.241 10 0 DGAERO c1ccc(-c2cnc(N3CCC(C[NH+]4CCCC4)CC3)cn2)cc1 ZINC000488074581 245142772 /nfs/dbraw/zinc/14/27/72/245142772.db2.gz BKMISHMIBCDVNY-UHFFFAOYSA-N 1 0 322.456 3.456 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc(Cl)ccc1Cl ZINC000123533916 284240475 /nfs/dbraw/zinc/24/04/75/284240475.db2.gz PQPJQPBTFKGFTK-NWDGAFQWSA-N 1 0 317.260 3.365 10 0 DGAERO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cccn2)CS1 ZINC000488417478 245187992 /nfs/dbraw/zinc/18/79/92/245187992.db2.gz DUUNCQSJBPJXPI-RDJZCZTQSA-N 1 0 301.459 3.492 10 0 DGAERO c1cc(CCC[NH+]2CCC(Oc3cnccn3)CC2)cs1 ZINC000488716503 245221815 /nfs/dbraw/zinc/22/18/15/245221815.db2.gz JHEDDNIWNAVZLD-UHFFFAOYSA-N 1 0 303.431 3.014 10 0 DGAERO COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)cs1 ZINC000488733335 245224719 /nfs/dbraw/zinc/22/47/19/245224719.db2.gz OVSPBXCFBLRZLQ-STQMWFEESA-N 1 0 318.442 3.021 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000489072096 245270340 /nfs/dbraw/zinc/27/03/40/245270340.db2.gz KRRXLBJBFOZQJP-ZACQAIPSSA-N 1 0 314.473 3.434 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2C[C@H](C)c3c2cccc3C)C1 ZINC000489072095 245270455 /nfs/dbraw/zinc/27/04/55/245270455.db2.gz KRRXLBJBFOZQJP-GVDBMIGSSA-N 1 0 314.473 3.434 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)c1ccccc1F ZINC000124496308 284259983 /nfs/dbraw/zinc/25/99/83/284259983.db2.gz PXYIKOWXYUVHQZ-OAHLLOKOSA-N 1 0 320.452 3.484 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1ccnn1C ZINC000193057383 299423977 /nfs/dbraw/zinc/42/39/77/299423977.db2.gz CLWZZHIVMDQZCV-YLQAJVPDSA-N 1 0 318.852 3.170 10 0 DGAERO CCS[C@@H]1CC[C@@H](N(C)C(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000246374817 432124646 /nfs/dbraw/zinc/12/46/46/432124646.db2.gz JLKSJKBDXUOOPH-RRFJBIMHSA-N 1 0 315.527 3.032 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000126651229 284312470 /nfs/dbraw/zinc/31/24/70/284312470.db2.gz QXGMHKQDRAEKNQ-HUUCEWRRSA-N 1 0 313.445 3.387 10 0 DGAERO O=C(Nc1ccc2cnccc2c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333386342 284342053 /nfs/dbraw/zinc/34/20/53/284342053.db2.gz WUTNZABGLVLKDJ-IRXDYDNUSA-N 1 0 324.428 3.088 10 0 DGAERO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CN(C(C)C)C[C@H]1C)CCC2 ZINC000246422561 432128940 /nfs/dbraw/zinc/12/89/40/432128940.db2.gz NGTKLGLFTXHCMY-NFAWXSAZSA-N 1 0 307.507 3.401 10 0 DGAERO C[NH+](C)C[C@@H]1CN(Cc2sc3ccccc3c2Cl)CCO1 ZINC000128215715 284367897 /nfs/dbraw/zinc/36/78/97/284367897.db2.gz NXBIPPDYMFDILZ-GFCCVEGCSA-N 1 0 324.877 3.317 10 0 DGAERO Cc1nc(CN2CCC(C[NH+]3CCCC3)CC2)nc2ccccc12 ZINC000171386903 432129029 /nfs/dbraw/zinc/12/90/29/432129029.db2.gz HNCUKLGOXZCSTB-UHFFFAOYSA-N 1 0 324.472 3.246 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000128506503 284377786 /nfs/dbraw/zinc/37/77/86/284377786.db2.gz KWBDVLCTSBYAGE-WMLDXEAASA-N 1 0 302.418 3.097 10 0 DGAERO CCCN(Cc1nnc(C2CC2)n1C1CC1)C[C@@H]1CCCCO1 ZINC000181460529 432129723 /nfs/dbraw/zinc/12/97/23/432129723.db2.gz ZQWUFPCIEQOYLU-INIZCTEOSA-N 1 0 318.465 3.272 10 0 DGAERO COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2O)cc(Cl)c1OC ZINC000135631163 432130459 /nfs/dbraw/zinc/13/04/59/432130459.db2.gz IFEGMTDQAXJVTN-KBPBESRZSA-N 1 0 313.825 3.140 10 0 DGAERO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc2ccccc2n1 ZINC000135646678 432130535 /nfs/dbraw/zinc/13/05/35/432130535.db2.gz LMEASDLRSDGNAW-SFHVURJKSA-N 1 0 306.413 3.478 10 0 DGAERO [NH3+][C@H](c1ccc(Br)cc1)[C@@H]1Cc2ccccc2O1 ZINC000019477143 182124534 /nfs/dbraw/zinc/12/45/34/182124534.db2.gz PPZFKDBYDCHVPD-LSDHHAIUSA-N 1 0 304.187 3.453 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000190206057 432130847 /nfs/dbraw/zinc/13/08/47/432130847.db2.gz MZEIWTGNIGVCPI-QAPCUYQASA-N 1 0 317.477 3.212 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(CC(C)C)CC2)[C@@H](C)C1 ZINC000246437107 432130885 /nfs/dbraw/zinc/13/08/85/432130885.db2.gz NHIWPEWNTISJLY-JKSUJKDBSA-N 1 0 309.498 3.184 10 0 DGAERO [NH3+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Br ZINC000019841505 182155914 /nfs/dbraw/zinc/15/59/14/182155914.db2.gz XVTUJFQRHDECNB-OAHLLOKOSA-N 1 0 320.186 3.268 10 0 DGAERO c1csc([C@@H]2CCC[N@@H+](CC3CCC4(CC3)OCCO4)C2)n1 ZINC000190206419 432131439 /nfs/dbraw/zinc/13/14/39/432131439.db2.gz VOORFJUSAYWCAD-OAHLLOKOSA-N 1 0 322.474 3.256 10 0 DGAERO C[C@@](C[NH3+])(CCc1ccccc1)N1CCc2sccc2C1 ZINC000019807746 182153016 /nfs/dbraw/zinc/15/30/16/182153016.db2.gz OVGSGGUQFCIJDZ-SFHVURJKSA-N 1 0 300.471 3.456 10 0 DGAERO OCC[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)C1CCCCC1 ZINC000181495376 432131497 /nfs/dbraw/zinc/13/14/97/432131497.db2.gz XVDCCIOMZNKORC-AWEZNQCLSA-N 1 0 306.381 3.388 10 0 DGAERO C[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1ccc(Br)cc1 ZINC000019946491 182168363 /nfs/dbraw/zinc/16/83/63/182168363.db2.gz NITWHDMVYNCARB-ABAIWWIYSA-N 1 0 309.251 3.194 10 0 DGAERO CC1CCN([C@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)CC1 ZINC000019997864 182175994 /nfs/dbraw/zinc/17/59/94/182175994.db2.gz UUJYBHCLGNDESS-CQSZACIVSA-N 1 0 302.340 3.317 10 0 DGAERO Cc1ccc(Oc2cc(C(N)=[NH2+])ccn2)c(Br)c1 ZINC000020077912 182185447 /nfs/dbraw/zinc/18/54/47/182185447.db2.gz GJFWGZKPLUFRST-UHFFFAOYSA-N 1 0 306.163 3.229 10 0 DGAERO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000020269830 182201906 /nfs/dbraw/zinc/20/19/06/182201906.db2.gz DVQHEUUQZWHYFL-QMMMGPOBSA-N 1 0 306.715 3.297 10 0 DGAERO c1ccc(COC2CC([NH2+]CCN3CCCCCC3)C2)cc1 ZINC000493954244 246100387 /nfs/dbraw/zinc/10/03/87/246100387.db2.gz ZNRUYKVWFIENND-UHFFFAOYSA-N 1 0 302.462 3.200 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1ccc(C)s1 ZINC000246471782 432133993 /nfs/dbraw/zinc/13/39/93/432133993.db2.gz GWZYHGJBLOSKBV-HOTGVXAUSA-N 1 0 320.502 3.464 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)c1cccs1 ZINC000246462780 432134133 /nfs/dbraw/zinc/13/41/33/432134133.db2.gz VDPMGFCNWYKFCS-MCIONIFRSA-N 1 0 307.463 3.077 10 0 DGAERO C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022197437 182312446 /nfs/dbraw/zinc/31/24/46/182312446.db2.gz ANHZFBHERWQJHG-INIZCTEOSA-N 1 0 308.425 3.312 10 0 DGAERO COCC(C)(C)C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000494841782 246199711 /nfs/dbraw/zinc/19/97/11/246199711.db2.gz HEXXFVYMAGEOPL-IBGZPJMESA-N 1 0 304.478 3.303 10 0 DGAERO c1coc(-c2ncc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)s2)c1 ZINC000494951643 246214570 /nfs/dbraw/zinc/21/45/70/246214570.db2.gz NUJYBQFVZZYGIU-JSGCOSHPSA-N 1 0 304.415 3.404 10 0 DGAERO c1ccc2c(c1)CC(C[NH2+]Cc1ccncc1)(N1CCCCC1)C2 ZINC000023374795 182358306 /nfs/dbraw/zinc/35/83/06/182358306.db2.gz ZIIOYCLGFLTBRA-UHFFFAOYSA-N 1 0 321.468 3.195 10 0 DGAERO CCc1cc(C)c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)o1 ZINC000135654476 284485926 /nfs/dbraw/zinc/48/59/26/284485926.db2.gz XZPSBKHHQIDACW-KRWDZBQOSA-N 1 0 314.429 3.492 10 0 DGAERO Cc1nc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC000283460057 217624278 /nfs/dbraw/zinc/62/42/78/217624278.db2.gz VIFMMNMLGSXJMC-MNOVXSKESA-N 1 0 313.467 3.358 10 0 DGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000136130542 284495124 /nfs/dbraw/zinc/49/51/24/284495124.db2.gz RGRROKIAMXMHRJ-OLZOCXBDSA-N 1 0 318.642 3.496 10 0 DGAERO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000245904811 296226087 /nfs/dbraw/zinc/22/60/87/296226087.db2.gz HJGKZIPTAWJKSS-WFASDCNBSA-N 1 0 316.367 3.029 10 0 DGAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000246499148 432138738 /nfs/dbraw/zinc/13/87/38/432138738.db2.gz SKNXJPJOADFTKP-JFIYKMOQSA-N 1 0 314.473 3.449 10 0 DGAERO Cc1csc([C@H](NCc2nc(-c3ccoc3)no2)C2CC2)n1 ZINC000181624319 432139938 /nfs/dbraw/zinc/13/99/38/432139938.db2.gz SYBHLRAHUSASFO-CYBMUJFWSA-N 1 0 316.386 3.335 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)C1 ZINC000246547836 432141626 /nfs/dbraw/zinc/14/16/26/432141626.db2.gz SVOQIZQQXSPBCG-SCRDCRAPSA-N 1 0 315.442 3.087 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)C1(C)C ZINC000181766146 432143227 /nfs/dbraw/zinc/14/32/27/432143227.db2.gz PIGPBTDYVJXFLL-IRXDYDNUSA-N 1 0 317.477 3.152 10 0 DGAERO C[C@@H](C[N@@H+]1CCCC2(CCCCC2)CC1)CS(C)(=O)=O ZINC000190325219 432143321 /nfs/dbraw/zinc/14/33/21/432143321.db2.gz XDUZJDQLOQCXFN-HNNXBMFYSA-N 1 0 301.496 3.104 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H](C)CC[C@@H]2C)C1 ZINC000246556118 432143508 /nfs/dbraw/zinc/14/35/08/432143508.db2.gz XQVSRISVNFTFBW-IXDOHACOSA-N 1 0 309.498 3.184 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000246552511 432143588 /nfs/dbraw/zinc/14/35/88/432143588.db2.gz XJLPSSPNDKRDEW-ZOBUZTSGSA-N 1 0 303.450 3.119 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)C1(C)C ZINC000181766126 432143582 /nfs/dbraw/zinc/14/35/82/432143582.db2.gz PIGPBTDYVJXFLL-DLBZAZTESA-N 1 0 317.477 3.152 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccc(F)cc1 ZINC000246578178 432145357 /nfs/dbraw/zinc/14/53/57/432145357.db2.gz IBCQVQPMINFQLA-XKQJLSEDSA-N 1 0 318.436 3.140 10 0 DGAERO CCCc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246569943 432145187 /nfs/dbraw/zinc/14/51/87/432145187.db2.gz XKUGIVJQGWPSGC-RHSMWYFYSA-N 1 0 303.450 3.489 10 0 DGAERO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](C)CS(C)(=O)=O)c1C ZINC000246592757 432147460 /nfs/dbraw/zinc/14/74/60/432147460.db2.gz PTSWOQUHNZWKCL-SUMWQHHRSA-N 1 0 309.475 3.121 10 0 DGAERO Cc1cc(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)no1 ZINC000246605046 432148212 /nfs/dbraw/zinc/14/82/12/432148212.db2.gz XRVDDNYKQOREFK-ZBFHGGJFSA-N 1 0 313.401 3.190 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000040502711 183084187 /nfs/dbraw/zinc/08/41/87/183084187.db2.gz XAMMMZNEHAMDKE-NSHDSACASA-N 1 0 303.269 3.085 10 0 DGAERO Cc1cc(C)cc(Nc2nc[nH+]c(NNC(C)(C)C)c2N)c1 ZINC000040682135 183117384 /nfs/dbraw/zinc/11/73/84/183117384.db2.gz JCSILKYTOXTRBH-UHFFFAOYSA-N 1 0 300.410 3.134 10 0 DGAERO CC(C)CN(CC(C)C)c1ncnc(Nc2cc[nH+]cc2)c1N ZINC000040687541 183118060 /nfs/dbraw/zinc/11/80/60/183118060.db2.gz IJBSSHBYQLZUJR-UHFFFAOYSA-N 1 0 314.437 3.316 10 0 DGAERO C[NH2+]C[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000040596547 183107557 /nfs/dbraw/zinc/10/75/57/183107557.db2.gz QJFPGQXTNRIDIE-SNVBAGLBSA-N 1 0 316.232 3.457 10 0 DGAERO CC(C)(C)NNc1[nH+]cnc(Nc2cccc3ncccc32)c1N ZINC000040796580 183135342 /nfs/dbraw/zinc/13/53/42/183135342.db2.gz MFTPSIXXJJIKTE-UHFFFAOYSA-N 1 0 323.404 3.066 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000153001035 284652607 /nfs/dbraw/zinc/65/26/07/284652607.db2.gz DFUBLMCWZJTAFN-NVXWUHKLSA-N 1 0 315.461 3.046 10 0 DGAERO Cc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c(Cl)cc1F ZINC000186504684 291681057 /nfs/dbraw/zinc/68/10/57/291681057.db2.gz JTTWFBWCRBSNSQ-NSHDSACASA-N 1 0 310.800 3.144 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)COCc1cccs1 ZINC000042256851 183247570 /nfs/dbraw/zinc/24/75/70/183247570.db2.gz UJIMPRICNNMMHX-GJZGRUSLSA-N 1 0 305.443 3.285 10 0 DGAERO CCCO[C@H]1CCCN([C@@H](C[NH3+])c2ccc(Cl)s2)C1 ZINC000042421145 183267553 /nfs/dbraw/zinc/26/75/53/183267553.db2.gz XAXWEQOQLSCIPF-RYUDHWBXSA-N 1 0 302.871 3.292 10 0 DGAERO Cc1c(C[NH2+]C(C)C)cnn1-c1ccc(Br)cc1 ZINC000042355646 183257019 /nfs/dbraw/zinc/25/70/19/183257019.db2.gz SKSOJUSGTWXDQP-UHFFFAOYSA-N 1 0 308.223 3.441 10 0 DGAERO CC(C)CN([C@@H](C[NH3+])c1ccc(Br)o1)C1CC1 ZINC000042555944 183284693 /nfs/dbraw/zinc/28/46/93/183284693.db2.gz BIMOPGIEMFKDIZ-NSHDSACASA-N 1 0 301.228 3.162 10 0 DGAERO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)C(C)C ZINC000042589275 183288644 /nfs/dbraw/zinc/28/86/44/183288644.db2.gz IQRADMXTOYFORH-GFCCVEGCSA-N 1 0 313.239 3.412 10 0 DGAERO C[C@@H](N(C)[C@@H](C[NH3+])c1ccc(Br)o1)C(C)(C)C ZINC000042742319 183304673 /nfs/dbraw/zinc/30/46/73/183304673.db2.gz VLXBCTCVQLRNJY-ZJUUUORDSA-N 1 0 303.244 3.408 10 0 DGAERO CCc1nccn1[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042956209 183322718 /nfs/dbraw/zinc/32/27/18/183322718.db2.gz LMZQHLLSCMGHFI-IINYFYTJSA-N 1 0 308.223 3.145 10 0 DGAERO CCc1nccn1[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042956206 183323126 /nfs/dbraw/zinc/32/31/26/183323126.db2.gz LMZQHLLSCMGHFI-YGRLFVJLSA-N 1 0 308.223 3.145 10 0 DGAERO CC[C@@H]([NH3+])[C@H](OCCCOC)c1ccc(Br)cc1 ZINC000042958362 183323758 /nfs/dbraw/zinc/32/37/58/183323758.db2.gz WVDYELAQVUKHJH-ZIAGYGMSSA-N 1 0 316.239 3.281 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)n1ccnc1C ZINC000043022068 183329460 /nfs/dbraw/zinc/32/94/60/183329460.db2.gz KDQJLYSNYXAIEW-KGLIPLIRSA-N 1 0 308.223 3.281 10 0 DGAERO CC[C@H]([NH3+])[C@@H](OCCCOC)c1cccc(Br)c1 ZINC000043023929 183331148 /nfs/dbraw/zinc/33/11/48/183331148.db2.gz CVCIJVIDDWDDSV-KBPBESRZSA-N 1 0 316.239 3.281 10 0 DGAERO C[C@H]([NH3+])[C@@H](OC1CCOCC1)c1cccc(Br)c1 ZINC000043024017 183331153 /nfs/dbraw/zinc/33/11/53/183331153.db2.gz GRHZBROFRNHCGN-IINYFYTJSA-N 1 0 314.223 3.033 10 0 DGAERO C[C@H]([NH3+])[C@@H](Sc1ncccn1)c1ccccc1Br ZINC000043096026 183337703 /nfs/dbraw/zinc/33/77/03/183337703.db2.gz SMOPZMVXXCPENU-JOYOIKCWSA-N 1 0 324.247 3.420 10 0 DGAERO CC[C@@H]([NH3+])[C@H](SCCC(=O)OC)c1ccccc1Cl ZINC000043089883 183334785 /nfs/dbraw/zinc/33/47/85/183334785.db2.gz HSCIHLUSBLLOQC-TZMCWYRMSA-N 1 0 301.839 3.415 10 0 DGAERO O=C(c1ccc2c(c1)CCC2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107523620 284674438 /nfs/dbraw/zinc/67/44/38/284674438.db2.gz QCSHATSTCMQKFE-LJQANCHMSA-N 1 0 312.457 3.266 10 0 DGAERO O=C(Nc1ccc(Cl)c(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105003342 194063571 /nfs/dbraw/zinc/06/35/71/194063571.db2.gz JLQHJUCQYFPMCD-GFCCVEGCSA-N 1 0 311.788 3.181 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105007297 194064999 /nfs/dbraw/zinc/06/49/99/194064999.db2.gz WDIJINPRZCYDRO-HNNXBMFYSA-N 1 0 317.433 3.096 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000105192130 194083160 /nfs/dbraw/zinc/08/31/60/194083160.db2.gz JBYILEIHJOYXDK-DLBZAZTESA-N 1 0 319.424 3.060 10 0 DGAERO Cc1noc(C)c1C[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000105482569 194106242 /nfs/dbraw/zinc/10/62/42/194106242.db2.gz CVTTTYQGRVRPDP-UHFFFAOYSA-N 1 0 315.348 3.418 10 0 DGAERO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805047 194133627 /nfs/dbraw/zinc/13/36/27/194133627.db2.gz JDPJBCQSMDSDLG-ZDUSSCGKSA-N 1 0 300.381 3.253 10 0 DGAERO C[C@@H](c1ccccc1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863131 194149526 /nfs/dbraw/zinc/14/95/26/194149526.db2.gz QXIALFLQFCGJPR-KRWDZBQOSA-N 1 0 312.461 3.041 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)CC2 ZINC000105874360 194152795 /nfs/dbraw/zinc/15/27/95/194152795.db2.gz MGVRVKSJZPQDKE-AAEUAGOBSA-N 1 0 320.387 3.345 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)CC2 ZINC000105874358 194152828 /nfs/dbraw/zinc/15/28/28/194152828.db2.gz MGVRVKSJZPQDKE-WCQYABFASA-N 1 0 320.387 3.345 10 0 DGAERO Cn1ccnc1CC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000105875821 194152893 /nfs/dbraw/zinc/15/28/93/194152893.db2.gz GQSRUJCFWONREE-UHFFFAOYSA-N 1 0 310.401 3.016 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000105873572 194152991 /nfs/dbraw/zinc/15/29/91/194152991.db2.gz WPMBMFAOJASNAO-FZMZJTMJSA-N 1 0 304.825 3.160 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1F ZINC000105899487 194165199 /nfs/dbraw/zinc/16/51/99/194165199.db2.gz FHPOKHLBIPJAOC-OAHLLOKOSA-N 1 0 303.381 3.176 10 0 DGAERO Cc1ccc(N2CCC[N@H+](C/C=C/c3ccccc3)CC2)nn1 ZINC000105909439 194166588 /nfs/dbraw/zinc/16/65/88/194166588.db2.gz WTFCGKFRNHGTFX-WEVVVXLNSA-N 1 0 308.429 3.011 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ccc([C@@H]3C[C@H]3C)o1)CC2 ZINC000105908043 194167353 /nfs/dbraw/zinc/16/73/53/194167353.db2.gz DFRJSYZJSUCBKB-UMVBOHGHSA-N 1 0 314.433 3.223 10 0 DGAERO Cn1cc(CN2CCC[N@@H+]([C@@H]3CCCc4ccccc43)CC2)cn1 ZINC000106155035 194189176 /nfs/dbraw/zinc/18/91/76/194189176.db2.gz QNTIFBDIKSAXGO-HXUWFJFHSA-N 1 0 324.472 3.005 10 0 DGAERO C[C@@]1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CCCO1 ZINC000273786344 211056809 /nfs/dbraw/zinc/05/68/09/211056809.db2.gz ULXIIZSQDFFINB-SFHVURJKSA-N 1 0 313.401 3.358 10 0 DGAERO CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000106696570 194245021 /nfs/dbraw/zinc/24/50/21/194245021.db2.gz UKMFBVXYYOXTLG-GOSISDBHSA-N 1 0 318.461 3.170 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000173832565 284800171 /nfs/dbraw/zinc/80/01/71/284800171.db2.gz CICAESIHROSPBW-BZUAXINKSA-N 1 0 321.465 3.493 10 0 DGAERO CC(C)OCCOc1ccc(Br)cc1C[C@@H](C)[NH3+] ZINC000049261089 183722711 /nfs/dbraw/zinc/72/27/11/183722711.db2.gz JPPDRZMGBADCFT-LLVKDONJSA-N 1 0 316.239 3.143 10 0 DGAERO COc1ccc(Br)cc1C[C@H]([NH3+])c1cccnc1 ZINC000049599008 183746602 /nfs/dbraw/zinc/74/66/02/183746602.db2.gz XXDDYGPMFIBXBU-ZDUSSCGKSA-N 1 0 307.191 3.095 10 0 DGAERO Brc1ccsc1CN1CCC[C@@H]1C[NH2+]C1CC1 ZINC000053649546 183908857 /nfs/dbraw/zinc/90/88/57/183908857.db2.gz VTPFRRIJAZOCRU-LLVKDONJSA-N 1 0 315.280 3.227 10 0 DGAERO Cc1ccc(CC(=O)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000057031652 184025349 /nfs/dbraw/zinc/02/53/49/184025349.db2.gz SJMLUVBIKLIPPS-MRXNPFEDSA-N 1 0 302.443 3.018 10 0 DGAERO [NH3+]CCNc1nc(-c2ccc3ccccc3c2)nc2c1CCC2 ZINC000057328688 184033261 /nfs/dbraw/zinc/03/32/61/184033261.db2.gz APSYEDSEJSKRCD-UHFFFAOYSA-N 1 0 304.397 3.156 10 0 DGAERO CC(C)Oc1ccccc1C[NH2+]CCCOc1ccccn1 ZINC000057353405 184035352 /nfs/dbraw/zinc/03/53/52/184035352.db2.gz MCGGCTTZQUJZHI-UHFFFAOYSA-N 1 0 300.402 3.428 10 0 DGAERO CC(C)Oc1ccc(C[NH2+]CCCOc2ccccn2)cc1 ZINC000057353402 184035418 /nfs/dbraw/zinc/03/54/18/184035418.db2.gz YYIRDGRGDNXTMS-UHFFFAOYSA-N 1 0 300.402 3.428 10 0 DGAERO C[NH2+][C@@H](Cc1ccncc1)Cc1cc(Br)ccc1F ZINC000060709052 184154507 /nfs/dbraw/zinc/15/45/07/184154507.db2.gz UZHZKAJPKUJRAJ-AWEZNQCLSA-N 1 0 323.209 3.356 10 0 DGAERO c1csc(-c2cc(CN3CCC[N@@H+](C4CC4)CC3)no2)c1 ZINC000061041326 184160759 /nfs/dbraw/zinc/16/07/59/184160759.db2.gz PVENFHOMJDIANQ-UHFFFAOYSA-N 1 0 303.431 3.073 10 0 DGAERO CC[NH2+]C[C@H](C)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000061235221 184166736 /nfs/dbraw/zinc/16/67/36/184166736.db2.gz XSSISQKJSJWTEE-JTQLQIEISA-N 1 0 303.233 3.197 10 0 DGAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000061235897 184166860 /nfs/dbraw/zinc/16/68/60/184166860.db2.gz NHPRCAGCQZCFQI-SNVBAGLBSA-N 1 0 303.233 3.197 10 0 DGAERO CC[NH2+]C[C@H](C)C(=O)Nc1c(C)cc(Br)cc1C ZINC000061228618 184166903 /nfs/dbraw/zinc/16/69/03/184166903.db2.gz LFOMBACILSRSTA-NSHDSACASA-N 1 0 313.239 3.250 10 0 DGAERO CC[NH2+][C@@H](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000061269407 184167421 /nfs/dbraw/zinc/16/74/21/184167421.db2.gz BMMABCAEGFHKST-ZETCQYMHSA-N 1 0 321.165 3.054 10 0 DGAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000061270190 184167437 /nfs/dbraw/zinc/16/74/37/184167437.db2.gz LKTRUAMRMKLWAW-WDEREUQCSA-N 1 0 313.239 3.014 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611983 184178523 /nfs/dbraw/zinc/17/85/23/184178523.db2.gz VXQZYPFAACFWFZ-INIZCTEOSA-N 1 0 302.805 3.041 10 0 DGAERO C[C@@H]1CN([C@H](C[NH2+]C(C2CC2)C2CC2)c2cccs2)CCO1 ZINC000246517028 284904048 /nfs/dbraw/zinc/90/40/48/284904048.db2.gz UKSDAIGSEDHBSG-CZUORRHYSA-N 1 0 320.502 3.288 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000246533651 284905521 /nfs/dbraw/zinc/90/55/21/284905521.db2.gz WWOMWEDEKUHWKS-HLIPFELVSA-N 1 0 314.473 3.270 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@@H]1c2cccc(Cl)c2OC[C@@H]1O ZINC000062190553 184217605 /nfs/dbraw/zinc/21/76/05/184217605.db2.gz DOTQQLHHNJRKGY-JKSUJKDBSA-N 1 0 303.789 3.266 10 0 DGAERO CC[NH2+][C@H](Cc1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000062237844 184224261 /nfs/dbraw/zinc/22/42/61/184224261.db2.gz DTYVVDZCIWCOKH-UKRRQHHQSA-N 1 0 312.251 3.396 10 0 DGAERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000062732989 184251368 /nfs/dbraw/zinc/25/13/68/184251368.db2.gz IIXSKHQJSHXUPE-UHFFFAOYSA-N 1 0 300.132 3.331 10 0 DGAERO CC[C@]1(CN(C)Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000062911901 184259224 /nfs/dbraw/zinc/25/92/24/184259224.db2.gz LSWWLRBUYSLRFB-ZDUSSCGKSA-N 1 0 317.296 3.332 10 0 DGAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000063211230 184278388 /nfs/dbraw/zinc/27/83/88/184278388.db2.gz PLSVOCBTWMTGSY-RYUDHWBXSA-N 1 0 301.217 3.383 10 0 DGAERO Nc1[nH+]c2cc(Br)ccc2n1CCC(F)(F)F ZINC000063100786 184270495 /nfs/dbraw/zinc/27/04/95/184270495.db2.gz FZZLODZIXRWFAP-UHFFFAOYSA-N 1 0 308.101 3.333 10 0 DGAERO COc1ccc(C(=O)N2CCC([NH+](C)C)CC2)c2ccccc12 ZINC000063735225 184287202 /nfs/dbraw/zinc/28/72/02/184287202.db2.gz XGYCZMCNCOWKAM-UHFFFAOYSA-N 1 0 312.413 3.015 10 0 DGAERO C[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)CC1CCCC1 ZINC000064021365 184291536 /nfs/dbraw/zinc/29/15/36/184291536.db2.gz NJAUWTFNXFPAMX-UHFFFAOYSA-N 1 0 317.458 3.095 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(SC)cc1 ZINC000065297506 184323853 /nfs/dbraw/zinc/32/38/53/184323853.db2.gz OJPJEQBUFFPYRI-INIZCTEOSA-N 1 0 306.475 3.241 10 0 DGAERO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000247243456 284951417 /nfs/dbraw/zinc/95/14/17/284951417.db2.gz ZDIMDCQMLLXZFM-JJXSEGSLSA-N 1 0 305.466 3.219 10 0 DGAERO Brc1ccc(C[NH2+]CCCC2CCOCC2)nc1 ZINC000449354803 532962556 /nfs/dbraw/zinc/96/25/56/532962556.db2.gz RSQBIAUOCCEPLZ-UHFFFAOYSA-N 1 0 313.239 3.141 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000248588437 285008600 /nfs/dbraw/zinc/00/86/00/285008600.db2.gz QPABTRDCRWMRPW-RRFJBIMHSA-N 1 0 306.454 3.163 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000248620078 285011151 /nfs/dbraw/zinc/01/11/51/285011151.db2.gz KUAQRMOFCPGXPF-DOMZBBRYSA-N 1 0 300.402 3.153 10 0 DGAERO CC1(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCC1 ZINC000177462984 207606804 /nfs/dbraw/zinc/60/68/04/207606804.db2.gz OXGISGFEWMXKBE-UHFFFAOYSA-N 1 0 307.482 3.130 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000248647978 285013995 /nfs/dbraw/zinc/01/39/95/285013995.db2.gz JAWRBHOHCYFBPH-HDMKZQKVSA-N 1 0 309.425 3.386 10 0 DGAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000248651876 285014546 /nfs/dbraw/zinc/01/45/46/285014546.db2.gz NIPBEVZHMQBYGZ-OCCSQVGLSA-N 1 0 301.377 3.135 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000176638627 252706864 /nfs/dbraw/zinc/70/68/64/252706864.db2.gz GKKXUGGJBQSRKJ-SJORKVTESA-N 1 0 309.498 3.473 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)c2ccccc2COc2ccccc2)CC[NH2+]1 ZINC000262814223 207681662 /nfs/dbraw/zinc/68/16/62/207681662.db2.gz GFFZLKXPBONEPZ-NVXWUHKLSA-N 1 0 324.424 3.136 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C(F)F)cc1 ZINC000248739184 285021711 /nfs/dbraw/zinc/02/17/11/285021711.db2.gz DYOTXCCUZFOSRQ-DOMZBBRYSA-N 1 0 323.387 3.002 10 0 DGAERO C[C@H](C1CC1)[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000248785241 285026232 /nfs/dbraw/zinc/02/62/32/285026232.db2.gz YPWLBOSWIHXYSB-FZKQIMNGSA-N 1 0 323.864 3.480 10 0 DGAERO CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248801866 285027008 /nfs/dbraw/zinc/02/70/08/285027008.db2.gz QNOFELBFDZOFFD-QJPTWQEYSA-N 1 0 308.388 3.200 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCO[C@H]1CCOC1)CCCO2 ZINC000119111629 194976214 /nfs/dbraw/zinc/97/62/14/194976214.db2.gz CNILYSSHAAHWQF-WMZOPIPTSA-N 1 0 319.445 3.302 10 0 DGAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC000248859806 285033164 /nfs/dbraw/zinc/03/31/64/285033164.db2.gz RUZVNIARNTUXTC-LJHODMEESA-N 1 0 324.424 3.317 10 0 DGAERO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1cocn1 ZINC000192330534 252758354 /nfs/dbraw/zinc/75/83/54/252758354.db2.gz ZZKJUMRWOLDAJV-UHFFFAOYSA-N 1 0 303.431 3.144 10 0 DGAERO CC(C)COc1ccc(C(C)(C)CNC(=O)CC[C@@H](C)[NH3+])cc1 ZINC000193245714 252759384 /nfs/dbraw/zinc/75/93/84/252759384.db2.gz CCNSEURJEZMGLP-OAHLLOKOSA-N 1 0 320.477 3.243 10 0 DGAERO Cc1cnn(C[C@H]2C[N@H+](CC[C@H](C)c3ccccc3)CCO2)c1 ZINC000248878416 285034872 /nfs/dbraw/zinc/03/48/72/285034872.db2.gz KBECAKAICOIZRQ-PKOBYXMFSA-N 1 0 313.445 3.086 10 0 DGAERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cnc(CC(C)C)s1 ZINC000248848378 285031293 /nfs/dbraw/zinc/03/12/93/285031293.db2.gz POQZHKXNWUWRIF-NOLJZWGESA-N 1 0 322.474 3.115 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000119695305 195019247 /nfs/dbraw/zinc/01/92/47/195019247.db2.gz OMQHMIQJADYOJH-BBRMVZONSA-N 1 0 315.392 3.159 10 0 DGAERO CSc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1F ZINC000119798727 195038832 /nfs/dbraw/zinc/03/88/32/195038832.db2.gz HHWPLSFXUIPHPF-FZMZJTMJSA-N 1 0 310.438 3.006 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(I)c1 ZINC000306346847 252903352 /nfs/dbraw/zinc/90/33/52/252903352.db2.gz CKCLIKMZRGQZJB-BXKDBHETSA-N 1 0 301.171 3.179 10 0 DGAERO CC(C)[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000120098844 195097491 /nfs/dbraw/zinc/09/74/91/195097491.db2.gz BIBYRNAGOVUGES-HUUCEWRRSA-N 1 0 323.506 3.304 10 0 DGAERO CC[C@H](C)[N@H+](CCO)CCOc1c(Cl)cccc1Cl ZINC000311977804 252908370 /nfs/dbraw/zinc/90/83/70/252908370.db2.gz NZNBRWSDEGWOCT-NSHDSACASA-N 1 0 306.233 3.465 10 0 DGAERO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Cl)C[C@@]1(C)C[NH3+] ZINC000311406886 252908409 /nfs/dbraw/zinc/90/84/09/252908409.db2.gz XFMRXYKSDQTECT-YMTOWFKASA-N 1 0 301.217 3.050 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000313061359 252909844 /nfs/dbraw/zinc/90/98/44/252909844.db2.gz IELSOONIWLTZNC-GFCCVEGCSA-N 1 0 302.187 3.103 10 0 DGAERO CC(C)c1cnc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)s1 ZINC000249144715 285059850 /nfs/dbraw/zinc/05/98/50/285059850.db2.gz ZWCAHCDLLSOVLE-VXGBXAGGSA-N 1 0 310.467 3.117 10 0 DGAERO CCc1ncsc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333192610 252941130 /nfs/dbraw/zinc/94/11/30/252941130.db2.gz SMZNXHOQBUVVCF-JSGCOSHPSA-N 1 0 322.478 3.092 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000249296820 285067424 /nfs/dbraw/zinc/06/74/24/285067424.db2.gz MVHMNIOWIARYDL-DKIMLUQUSA-N 1 0 300.446 3.058 10 0 DGAERO O=C(Nc1ccc2cnccc2c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333284107 252947229 /nfs/dbraw/zinc/94/72/29/252947229.db2.gz IAHYCLQICJLWPR-QGZVFWFLSA-N 1 0 324.428 3.088 10 0 DGAERO CCC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000249399921 285072313 /nfs/dbraw/zinc/07/23/13/285072313.db2.gz UXBJMDFHMWGLOP-QWHCGFSZSA-N 1 0 308.388 3.298 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)s1 ZINC000249604052 285082285 /nfs/dbraw/zinc/08/22/85/285082285.db2.gz ZCWDBBZBZCOHGL-NOZJJQNGSA-N 1 0 322.396 3.453 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249605655 285082969 /nfs/dbraw/zinc/08/29/69/285082969.db2.gz ZOYLABRGIOSAON-SJKOYZFVSA-N 1 0 324.852 3.070 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H](C)c2ccc(C)cc2)C1 ZINC000249752648 285086930 /nfs/dbraw/zinc/08/69/30/285086930.db2.gz DWIFBCGBSYLBLU-NVXWUHKLSA-N 1 0 303.450 3.182 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2c2cccc(F)c2)C1 ZINC000249772154 285088108 /nfs/dbraw/zinc/08/81/08/285088108.db2.gz TUWDVEGPGZKHDA-SJORKVTESA-N 1 0 319.424 3.157 10 0 DGAERO COC[C@@H](C)C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000249856742 285090503 /nfs/dbraw/zinc/09/05/03/285090503.db2.gz QHFQDULIAKELDH-SWLSCSKDSA-N 1 0 317.351 3.361 10 0 DGAERO Cc1nc2[nH]ccc2c(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000337835045 253181518 /nfs/dbraw/zinc/18/15/18/253181518.db2.gz BPXFLESFIUERTF-XJKSGUPXSA-N 1 0 321.428 3.341 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H](C)[C@H](C)CO ZINC000252711175 285104190 /nfs/dbraw/zinc/10/41/90/285104190.db2.gz ITGBKYRAFBNKDK-JHJVBQTASA-N 1 0 301.377 3.216 10 0 DGAERO C[C@H](CC[NH2+][C@@H]1C[C@H](C)Sc2sccc21)[S@](C)=O ZINC000252728321 285104202 /nfs/dbraw/zinc/10/42/02/285104202.db2.gz AXTNVANMRIOWDH-JFMNDMBNSA-N 1 0 303.518 3.420 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000254966243 285115784 /nfs/dbraw/zinc/11/57/84/285115784.db2.gz IIRJTEQJFIASBQ-GOVFWEMJSA-N 1 0 300.446 3.339 10 0 DGAERO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000120219270 195122118 /nfs/dbraw/zinc/12/21/18/195122118.db2.gz FSEQITYOAUDBNR-SFHVURJKSA-N 1 0 310.445 3.194 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC/C=C\c1ccccc1 ZINC000255044335 285122843 /nfs/dbraw/zinc/12/28/43/285122843.db2.gz GGPMJJHHFBVGCF-IKPBFSQCSA-N 1 0 300.446 3.423 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)CCn2cccn2)cc1OC ZINC000158705462 197295671 /nfs/dbraw/zinc/29/56/71/197295671.db2.gz KNDCXWUSHZSABZ-UONOGXRCSA-N 1 0 303.406 3.030 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000255123756 285132110 /nfs/dbraw/zinc/13/21/10/285132110.db2.gz VNUJMIVYHNXHTG-DSLFPGPSSA-N 1 0 304.409 3.074 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1ccnc2ccccc12 ZINC000255124492 285132123 /nfs/dbraw/zinc/13/21/23/285132123.db2.gz VQSIGBLQYGNGLW-MQNTZWLQSA-N 1 0 323.440 3.191 10 0 DGAERO COC[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000152961147 533090913 /nfs/dbraw/zinc/09/09/13/533090913.db2.gz HICXRQCAXXEPNH-RBUKOAKNSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000157873924 197222774 /nfs/dbraw/zinc/22/27/74/197222774.db2.gz AEYRCZDUUHGEML-CYBMUJFWSA-N 1 0 301.434 3.290 10 0 DGAERO Cc1ccc(/C=C\CC(=O)NC[C@H](c2ccco2)N(C)C)cc1 ZINC000255539888 285162271 /nfs/dbraw/zinc/16/22/71/285162271.db2.gz NGEDKBALGHVQEV-XQDHMALISA-N 1 0 312.413 3.410 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)N[C@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000255559864 285164311 /nfs/dbraw/zinc/16/43/11/285164311.db2.gz ZFVCWJSCEFACID-FHWLQOOXSA-N 1 0 323.440 3.145 10 0 DGAERO COc1ccc(CC[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000157563570 197197634 /nfs/dbraw/zinc/19/76/34/197197634.db2.gz VLZKVNYBRYVPJB-INIZCTEOSA-N 1 0 303.427 3.373 10 0 DGAERO CC1(C)Cc2cccc(C[N@@H+]3CC[C@]4(C3)CCCOC4)c2O1 ZINC000342834500 254061822 /nfs/dbraw/zinc/06/18/22/254061822.db2.gz DGSACKPMLPVYEO-IBGZPJMESA-N 1 0 301.430 3.403 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000343534763 254157525 /nfs/dbraw/zinc/15/75/25/254157525.db2.gz XNCLQWYIFKBOND-OAHLLOKOSA-N 1 0 318.461 3.019 10 0 DGAERO CCC1(C[NH2+]Cc2ccc(Br)c(F)c2)COC1 ZINC000343853356 254196432 /nfs/dbraw/zinc/19/64/32/254196432.db2.gz OKIRJGQWKITMIN-UHFFFAOYSA-N 1 0 302.187 3.104 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C=C\c2ccccc2)C[C@@H]1CC ZINC000255868741 285182928 /nfs/dbraw/zinc/18/29/28/285182928.db2.gz YRUQDSZAEQIHIS-POGDKVGISA-N 1 0 302.462 3.133 10 0 DGAERO C[C@@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CCOC1 ZINC000344366673 254262421 /nfs/dbraw/zinc/26/24/21/254262421.db2.gz JGBLTQAXQFSKIL-ZDUSSCGKSA-N 1 0 302.187 3.104 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)ccc1F ZINC000158236818 533131162 /nfs/dbraw/zinc/13/11/62/533131162.db2.gz UHUAAPJVSCTBFB-XJKSGUPXSA-N 1 0 303.377 3.089 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)/C=C\SCc1ccco1 ZINC000255896228 285185715 /nfs/dbraw/zinc/18/57/15/285185715.db2.gz NOAXAPFTHDNOAM-LEJCZOIISA-N 1 0 310.463 3.119 10 0 DGAERO c1[nH]nc2c1cccc2C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000344969566 254319818 /nfs/dbraw/zinc/31/98/18/254319818.db2.gz VTTJUXLXTWRDKY-HNNXBMFYSA-N 1 0 317.458 3.097 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262642489 285196181 /nfs/dbraw/zinc/19/61/81/285196181.db2.gz RYKLJPYGVLPQLO-RCCFBDPRSA-N 1 0 302.462 3.292 10 0 DGAERO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000156622874 197127961 /nfs/dbraw/zinc/12/79/61/197127961.db2.gz WZHMUWINEZWGNP-CYBMUJFWSA-N 1 0 318.367 3.354 10 0 DGAERO c1ccc2c(c1)ncnc2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269434580 285205188 /nfs/dbraw/zinc/20/51/88/285205188.db2.gz QLWSYWMFWFCAAD-KDOFPFPSSA-N 1 0 308.429 3.083 10 0 DGAERO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000155971736 197078263 /nfs/dbraw/zinc/07/82/63/197078263.db2.gz ZUMVDGBMPUHBJI-UONOGXRCSA-N 1 0 317.385 3.379 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(c2cccc(F)c2)CCC1 ZINC000177031141 285234043 /nfs/dbraw/zinc/23/40/43/285234043.db2.gz MZTCFIJXJZZTOZ-QGZVFWFLSA-N 1 0 318.436 3.190 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2C)[C@H](C)C1 ZINC000120369476 195153233 /nfs/dbraw/zinc/15/32/33/195153233.db2.gz OCCGZWOJTFKUPE-WBVHZDCISA-N 1 0 303.450 3.497 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]C1CC(c2ccccc2)C1 ZINC000291865298 285251624 /nfs/dbraw/zinc/25/16/24/285251624.db2.gz FOXYTGLAALWBCX-UHFFFAOYSA-N 1 0 318.424 3.362 10 0 DGAERO CCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000120413804 195161549 /nfs/dbraw/zinc/16/15/49/195161549.db2.gz CHVNLLKUDQTKRB-WMLDXEAASA-N 1 0 303.450 3.443 10 0 DGAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000120423591 195164728 /nfs/dbraw/zinc/16/47/28/195164728.db2.gz RZCLQCSLFKXUKY-PBHICJAKSA-N 1 0 312.413 3.369 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000120502696 195179902 /nfs/dbraw/zinc/17/99/02/195179902.db2.gz ADTHUCNSBGCFNN-QWHCGFSZSA-N 1 0 312.404 3.161 10 0 DGAERO CCCn1cc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000120629476 195205373 /nfs/dbraw/zinc/20/53/73/195205373.db2.gz SFWUWNBETQTETJ-ROUUACIJSA-N 1 0 318.509 3.380 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000120659238 195210965 /nfs/dbraw/zinc/21/09/65/195210965.db2.gz MYGRTXMLNQCWEU-UHFFFAOYSA-N 1 0 306.475 3.183 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2OC)[C@H](C)C1 ZINC000120586018 195196727 /nfs/dbraw/zinc/19/67/27/195196727.db2.gz NGFAEKYRIYVJGY-GDBMZVCRSA-N 1 0 319.449 3.198 10 0 DGAERO Cc1ccc(OCCC[NH+]2CCC(n3cncn3)CC2)cc1C ZINC000120598955 195198635 /nfs/dbraw/zinc/19/86/35/195198635.db2.gz KASZCPSSDMOFLG-UHFFFAOYSA-N 1 0 314.433 3.001 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000120752306 195230207 /nfs/dbraw/zinc/23/02/07/195230207.db2.gz ROINEPZFUWTGKX-NEPJUHHUSA-N 1 0 315.417 3.047 10 0 DGAERO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CCCCO1 ZINC000120730505 195225716 /nfs/dbraw/zinc/22/57/16/195225716.db2.gz RPHXTSUAQXUHET-INIZCTEOSA-N 1 0 307.434 3.485 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2cccs2)cc1F ZINC000120902892 195260153 /nfs/dbraw/zinc/26/01/53/195260153.db2.gz SMLNAAPMOJOKGG-UKRRQHHQSA-N 1 0 323.433 3.424 10 0 DGAERO c1csc([C@H]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3O2)n1 ZINC000248134495 257108370 /nfs/dbraw/zinc/10/83/70/257108370.db2.gz YQRQIYQQSMDRJZ-OAGGEKHMSA-N 1 0 300.427 3.495 10 0 DGAERO c1cc(C[N@H+]2C[C@@H]3CCC[C@]3(COCc3ccncc3)C2)co1 ZINC000247908132 257113724 /nfs/dbraw/zinc/11/37/24/257113724.db2.gz XSSUYHYVNIHYQJ-RBUKOAKNSA-N 1 0 312.413 3.494 10 0 DGAERO O=C(c1cccc(Cl)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC000247941809 257114079 /nfs/dbraw/zinc/11/40/79/257114079.db2.gz PSYLNHTXOCUOBA-CVEARBPZSA-N 1 0 304.821 3.039 10 0 DGAERO COc1ccc(C[C@@H]2C[N@@H+](Cc3ccco3)CC[C@@H]2OC)cc1 ZINC000247946109 257114154 /nfs/dbraw/zinc/11/41/54/257114154.db2.gz ZPOMTPPZFHFOCM-APWZRJJASA-N 1 0 315.413 3.368 10 0 DGAERO COc1ccccc1C[NH2+]CCc1cc(OC)c(F)cc1OC ZINC000504065346 257132648 /nfs/dbraw/zinc/13/26/48/257132648.db2.gz DFTJMIFNIHIWAJ-UHFFFAOYSA-N 1 0 319.376 3.184 10 0 DGAERO O=C1CC[C@H]([NH2+]C2c3ccccc3-c3ccccc32)[C@H](C2CC2)N1 ZINC000367458239 257236070 /nfs/dbraw/zinc/23/60/70/257236070.db2.gz KCYCLEGQOOJBIJ-ICSRJNTNSA-N 1 0 318.420 3.403 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000121046942 195287362 /nfs/dbraw/zinc/28/73/62/195287362.db2.gz KMTKWFFBKVEXEH-AWEZNQCLSA-N 1 0 323.506 3.093 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000121653173 195324463 /nfs/dbraw/zinc/32/44/63/195324463.db2.gz YUZYIZUYSOXKIN-HUUCEWRRSA-N 1 0 321.465 3.491 10 0 DGAERO CC[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Cl)s1 ZINC000125782221 195784413 /nfs/dbraw/zinc/78/44/13/195784413.db2.gz WHZZWNZJKNLIKA-FZMZJTMJSA-N 1 0 303.855 3.231 10 0 DGAERO CCn1cc([C@H](C)[NH2+]Cc2ccccc2-n2ccc(C)n2)cn1 ZINC000127665874 195899730 /nfs/dbraw/zinc/89/97/30/195899730.db2.gz LLIKKROOSWPVKL-HNNXBMFYSA-N 1 0 309.417 3.248 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2C2CCCCC2)[C@H](C)C1 ZINC000122366056 285392862 /nfs/dbraw/zinc/39/28/62/285392862.db2.gz JJPKTDJXNVUYGM-DDBAPUKQSA-N 1 0 306.494 3.392 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)C1CCCC1 ZINC000184658399 533344052 /nfs/dbraw/zinc/34/40/52/533344052.db2.gz FRXQPIYALZJGAG-OAHLLOKOSA-N 1 0 300.446 3.346 10 0 DGAERO COc1c(C[NH+]2CCC(c3ccccc3C)CC2)c(C)nn1C ZINC000179458706 533415262 /nfs/dbraw/zinc/41/52/62/533415262.db2.gz NJULYAZMWTVQJV-UHFFFAOYSA-N 1 0 313.445 3.425 10 0 DGAERO COC(=O)[C@]12CCC[C@@H]1CN(c1cc[nH+]c3c(C)cccc13)C2 ZINC000302211225 533638683 /nfs/dbraw/zinc/63/86/83/533638683.db2.gz YQGWEHJGWUYZKY-KUHUBIRLSA-N 1 0 310.397 3.323 10 0 DGAERO c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)nc1 ZINC000341410990 285485480 /nfs/dbraw/zinc/48/54/80/285485480.db2.gz VTRIBYHTPFHVNY-YESZJQIVSA-N 1 0 303.450 3.069 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)CCCO2 ZINC000154676261 292010462 /nfs/dbraw/zinc/01/04/62/292010462.db2.gz VOYRLRGTOCRESL-GOSISDBHSA-N 1 0 324.424 3.406 10 0 DGAERO c1cnc(N2CCC([NH2+][C@H]3CCCc4ccccc43)CC2)nc1 ZINC000192711327 285543635 /nfs/dbraw/zinc/54/36/35/285543635.db2.gz XSIBVRYWQIFKJA-SFHVURJKSA-N 1 0 308.429 3.113 10 0 DGAERO c1csc([C@H]([NH2+][C@H]2CCc3ncnn3C2)C2CCCC2)c1 ZINC000180579965 285569811 /nfs/dbraw/zinc/56/98/11/285569811.db2.gz QQDSRCPYYNUKQF-XJKSGUPXSA-N 1 0 302.447 3.176 10 0 DGAERO C[NH2+][C@H]1CCN(c2ccc(Br)cc2F)[C@@H](C)C1 ZINC000049712077 134757494 /nfs/dbraw/zinc/75/74/94/134757494.db2.gz FSOVNBNQMFXYGX-ONGXEEELSA-N 1 0 301.203 3.165 10 0 DGAERO C[NH2+][C@H]1CCN(c2cc(Br)ccc2F)[C@H](C)C1 ZINC000049711332 134757761 /nfs/dbraw/zinc/75/77/61/134757761.db2.gz UIAJOMVITUYSOR-KOLCDFICSA-N 1 0 301.203 3.165 10 0 DGAERO COC(=O)c1oc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1C ZINC000173843243 292039247 /nfs/dbraw/zinc/03/92/47/292039247.db2.gz CBDQZTQVTNJBNI-OAHLLOKOSA-N 1 0 321.417 3.298 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000091548041 545835643 /nfs/dbraw/zinc/83/56/43/545835643.db2.gz MFKAKZAJDFJXQZ-NXEZZACHSA-N 1 0 318.364 3.407 10 0 DGAERO COC1([C@@H](C)[NH2+]CC2(Cc3ccccc3)CC2)CCOCC1 ZINC000453181277 292134186 /nfs/dbraw/zinc/13/41/86/292134186.db2.gz WHEKTGCWTHJFKV-MRXNPFEDSA-N 1 0 303.446 3.183 10 0 DGAERO COc1ccccc1OCC[NH2+]CCCCc1ccc(O)cc1 ZINC000584642654 400086675 /nfs/dbraw/zinc/08/66/75/400086675.db2.gz CRQYFBDGEUMOBC-UHFFFAOYSA-N 1 0 315.413 3.392 10 0 DGAERO CC(C)[NH2+]C[C@H](O)COc1ccc(OCc2ccccc2)cc1 ZINC000005760462 400089526 /nfs/dbraw/zinc/08/95/26/400089526.db2.gz YUFPERPQVJMWEN-KRWDZBQOSA-N 1 0 315.413 3.003 10 0 DGAERO Cc1cccc(C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])c1 ZINC000006780147 400094849 /nfs/dbraw/zinc/09/48/49/400094849.db2.gz MHIWNOGADWGCGZ-JKSUJKDBSA-N 1 0 304.434 3.122 10 0 DGAERO CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000300590294 400100178 /nfs/dbraw/zinc/10/01/78/400100178.db2.gz LFYVUDACHKLDPV-GBIKHYSHSA-N 1 0 304.217 3.121 10 0 DGAERO COc1ccc([C@@](O)(c2ccc(C)cc2)[C@@H](C)C[NH+](C)C)cc1 ZINC000003642376 400083535 /nfs/dbraw/zinc/08/35/35/400083535.db2.gz WLPOSYYUWKQTOG-JXFKEZNVSA-N 1 0 313.441 3.437 10 0 DGAERO CNc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616626077 400188517 /nfs/dbraw/zinc/18/85/17/400188517.db2.gz QMQQMMZYFMKACK-CQSZACIVSA-N 1 0 319.449 3.042 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cncc2ccccc21 ZINC000616583940 400178142 /nfs/dbraw/zinc/17/81/42/400178142.db2.gz GYZNIOGZSREDIJ-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@@H](c2nccc3ccccc32)Cc2ccccc21 ZINC000616587726 400179003 /nfs/dbraw/zinc/17/90/03/400179003.db2.gz HDUIMDLHFRISGZ-KRWDZBQOSA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccnc3ccccc32)Cc2ccccc21 ZINC000616588254 400179183 /nfs/dbraw/zinc/17/91/83/400179183.db2.gz IYIMUKRYFSFUPG-INIZCTEOSA-N 1 0 303.409 3.340 10 0 DGAERO CCOC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000616604078 400183657 /nfs/dbraw/zinc/18/36/57/400183657.db2.gz JXRFOEWXPNYMDB-IBGZPJMESA-N 1 0 324.424 3.010 10 0 DGAERO Cc1nc(Cl)c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1C ZINC000306733289 400126028 /nfs/dbraw/zinc/12/60/28/400126028.db2.gz SWUYGWKOJGPYDM-HNNXBMFYSA-N 1 0 316.836 3.433 10 0 DGAERO C[C@](C[NH3+])([C@H]1CCOC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000306948747 400127132 /nfs/dbraw/zinc/12/71/32/400127132.db2.gz AAPXMHFNBYDJPZ-SFTDATJTSA-N 1 0 324.468 3.443 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1Br)C(C)(C)O ZINC000309831435 400132366 /nfs/dbraw/zinc/13/23/66/400132366.db2.gz YPRNJVLQADFFAX-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCCN(CC[NH3+])C1 ZINC000616620452 400186815 /nfs/dbraw/zinc/18/68/15/400186815.db2.gz KMPJKMYJUQFCGI-CQSZACIVSA-N 1 0 319.449 3.172 10 0 DGAERO CC(C)C[NH+]1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000067132521 400148131 /nfs/dbraw/zinc/14/81/31/400148131.db2.gz OCUYASKZSGUKFO-HNNXBMFYSA-N 1 0 314.433 3.071 10 0 DGAERO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC(C)(C)C)cc1 ZINC000015372229 400164394 /nfs/dbraw/zinc/16/43/94/400164394.db2.gz AQWKBNUPHUEQQP-INIZCTEOSA-N 1 0 304.434 3.137 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3ccc4ccncc4c3)C2)cc1 ZINC000616631872 400188210 /nfs/dbraw/zinc/18/82/10/400188210.db2.gz HNAIZOCCRCTBBG-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)CC2CCCCCC2)C1 ZINC000379263457 400256026 /nfs/dbraw/zinc/25/60/26/400256026.db2.gz IPHNGDKOQHGAJS-CHWSQXEVSA-N 1 0 306.372 3.228 10 0 DGAERO c1ccc(OCCOCC[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000093222204 400232050 /nfs/dbraw/zinc/23/20/50/400232050.db2.gz SCZZZUVRHOZHFM-UHFFFAOYSA-N 1 0 312.413 3.142 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2C[NH2+]CCCO2)cc1 ZINC000616651165 400192621 /nfs/dbraw/zinc/19/26/21/400192621.db2.gz KKOIIYWVQUUJDA-OAHLLOKOSA-N 1 0 306.406 3.109 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1C[NH2+]CCCO1 ZINC000616653451 400194491 /nfs/dbraw/zinc/19/44/91/400194491.db2.gz WMTLKQPDTHPVME-HNNXBMFYSA-N 1 0 306.406 3.109 10 0 DGAERO C[N@@H+]1CCOCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000616660422 400195141 /nfs/dbraw/zinc/19/51/41/400195141.db2.gz ZSOPBVJTDPOFMW-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO CC[N@@H+]1CCOC[C@H](c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000616658021 400195196 /nfs/dbraw/zinc/19/51/96/400195196.db2.gz AOFSWKHVVXKTRI-OAHLLOKOSA-N 1 0 320.433 3.469 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CC[NH2+]CCO2)c1 ZINC000616665143 400196776 /nfs/dbraw/zinc/19/67/76/400196776.db2.gz ONKCXURVMRTWMR-HNNXBMFYSA-N 1 0 306.406 3.109 10 0 DGAERO CCOC(=O)c1ccc([C@H]2CCc3ccccc3N2CC[NH3+])cc1 ZINC000616669920 400197812 /nfs/dbraw/zinc/19/78/12/400197812.db2.gz SUWPQMVCUDWCSN-LJQANCHMSA-N 1 0 324.424 3.316 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccc3ccncc3c2)Cc2ccccc21 ZINC000616672259 400199199 /nfs/dbraw/zinc/19/91/99/400199199.db2.gz LWBPPHHGSJZGDR-IBGZPJMESA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccc3cnccc3c2)Cc2ccccc21 ZINC000616673314 400199273 /nfs/dbraw/zinc/19/92/73/400199273.db2.gz QQRMJYQGKPQOPI-LJQANCHMSA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cncc2ccccc21 ZINC000616680643 400201506 /nfs/dbraw/zinc/20/15/06/400201506.db2.gz NMALQVAWKALVQD-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccc3cnccc3c2)Nc2ccccc21 ZINC000616682595 400203115 /nfs/dbraw/zinc/20/31/15/400203115.db2.gz DSVIPPXQBROZST-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO CCN(Cc1ccc2c(c1)OCCO2)[C@H](C)C(=O)OC(C)(C)C ZINC000610013003 400207348 /nfs/dbraw/zinc/20/73/48/400207348.db2.gz NPSQOZFCBHIOON-CYBMUJFWSA-N 1 0 321.417 3.010 10 0 DGAERO O=C(c1cccc2ccccc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086595 400217129 /nfs/dbraw/zinc/21/71/29/400217129.db2.gz XFYYJQGVUFRPFQ-UHFFFAOYSA-N 1 0 317.392 3.197 10 0 DGAERO FC(F)(F)OCC[NH2+]Cc1ccsc1Br ZINC000388440403 400266245 /nfs/dbraw/zinc/26/62/45/400266245.db2.gz SAPZUUGGNCWXDE-UHFFFAOYSA-N 1 0 304.131 3.137 10 0 DGAERO CC(C)(CCCO)C[NH2+]Cc1ccsc1Br ZINC000388740322 400268249 /nfs/dbraw/zinc/26/82/49/400268249.db2.gz JITZBMXNSIYNAT-UHFFFAOYSA-N 1 0 306.269 3.399 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000398005143 400287172 /nfs/dbraw/zinc/28/71/72/400287172.db2.gz YPWNHWKDYBLUMT-IQZDNPOKSA-N 1 0 312.457 3.059 10 0 DGAERO Cc1ccc([C@@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)c(Cl)c1 ZINC000409422269 400301364 /nfs/dbraw/zinc/30/13/64/400301364.db2.gz DJHKNMZVOYKEGM-JSGCOSHPSA-N 1 0 310.825 3.229 10 0 DGAERO Cc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000102683829 400303054 /nfs/dbraw/zinc/30/30/54/400303054.db2.gz ICURLLSHWJLFKU-KRWDZBQOSA-N 1 0 310.441 3.313 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000105080557 400318872 /nfs/dbraw/zinc/31/88/72/400318872.db2.gz NDDIFLKVJDUSLE-XJKSGUPXSA-N 1 0 321.852 3.281 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c(Br)c1 ZINC000384932164 400260746 /nfs/dbraw/zinc/26/07/46/400260746.db2.gz QEMCUUFDODTEBJ-PKFCDNJMSA-N 1 0 314.223 3.113 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)C(C)(C)C ZINC000114473895 400387393 /nfs/dbraw/zinc/38/73/93/400387393.db2.gz MGQXYRHXMNANES-LLVKDONJSA-N 1 0 314.832 3.462 10 0 DGAERO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106901054 400330815 /nfs/dbraw/zinc/33/08/15/400330815.db2.gz ALFOXTRWFTXBKO-VQIMIIECSA-N 1 0 310.441 3.345 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106904713 400332293 /nfs/dbraw/zinc/33/22/93/400332293.db2.gz DRQSXBAYGCBSKV-QFBILLFUSA-N 1 0 310.441 3.345 10 0 DGAERO Cc1ccccc1[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106901056 400332920 /nfs/dbraw/zinc/33/29/20/400332920.db2.gz ALFOXTRWFTXBKO-APWZRJJASA-N 1 0 310.441 3.345 10 0 DGAERO O=C(NCc1ccccc1C[NH+]1CCCCC1)NC1CCCC1 ZINC000030997801 400336730 /nfs/dbraw/zinc/33/67/30/400336730.db2.gz QVVZPRXLBSILFZ-UHFFFAOYSA-N 1 0 315.461 3.414 10 0 DGAERO CC(C)CC[C@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107824760 400337740 /nfs/dbraw/zinc/33/77/40/400337740.db2.gz RXMGGOVUIXSSNU-IRXDYDNUSA-N 1 0 309.498 3.471 10 0 DGAERO CC(C)CC[C@@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107824756 400337786 /nfs/dbraw/zinc/33/77/86/400337786.db2.gz RXMGGOVUIXSSNU-SJORKVTESA-N 1 0 309.498 3.471 10 0 DGAERO CCOc1c(Br)cc(C[NH3+])cc1Br ZINC000037184013 400393492 /nfs/dbraw/zinc/39/34/92/400393492.db2.gz BROQOJVKEBIUKT-UHFFFAOYSA-N 1 0 309.001 3.069 10 0 DGAERO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(C)(C)C ZINC000112463000 400372911 /nfs/dbraw/zinc/37/29/11/400372911.db2.gz FJXBGPJLCYECGA-MRXNPFEDSA-N 1 0 317.477 3.339 10 0 DGAERO CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116788875 400413260 /nfs/dbraw/zinc/41/32/60/400413260.db2.gz RPQIBLKKUHVEEL-QZTJIDSGSA-N 1 0 324.509 3.018 10 0 DGAERO CCOc1ccc(C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000117720033 400421148 /nfs/dbraw/zinc/42/11/48/400421148.db2.gz WQTPDBJSZIEXFN-MRXNPFEDSA-N 1 0 310.397 3.415 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ncccn2)cc1 ZINC000073387218 400447850 /nfs/dbraw/zinc/44/78/50/400447850.db2.gz LGSPMVLHNBHDEA-KGLIPLIRSA-N 1 0 312.417 3.278 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000120867673 400449293 /nfs/dbraw/zinc/44/92/93/400449293.db2.gz GAVMRCCPARGTSE-FUHWJXTLSA-N 1 0 302.462 3.116 10 0 DGAERO COc1cc(C[NH2+]Cc2cccnc2C)ccc1OC(F)F ZINC000590880793 400453265 /nfs/dbraw/zinc/45/32/65/400453265.db2.gz FIPUMTQIYAWTIS-UHFFFAOYSA-N 1 0 308.328 3.290 10 0 DGAERO [NH3+][C@@H](CC1CCC1)c1ccc(I)cc1 ZINC000128390102 400513721 /nfs/dbraw/zinc/51/37/21/400513721.db2.gz DDFZXDDJXRJAKB-LBPRGKRZSA-N 1 0 301.171 3.481 10 0 DGAERO COCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000127823573 400506694 /nfs/dbraw/zinc/50/66/94/400506694.db2.gz JSCIYOWJCBMEEJ-IRXDYDNUSA-N 1 0 324.509 3.208 10 0 DGAERO COCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000127823804 400506718 /nfs/dbraw/zinc/50/67/18/400506718.db2.gz JSCIYOWJCBMEEJ-IAGOWNOFSA-N 1 0 324.509 3.208 10 0 DGAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000043588624 400472551 /nfs/dbraw/zinc/47/25/51/400472551.db2.gz VEOXRFIVGPVBIR-GHMZBOCLSA-N 1 0 300.855 3.359 10 0 DGAERO O=C(CC[C@H]1CCC[NH2+]C1)NC1CCC(C(F)(F)F)CC1 ZINC000043588806 400472616 /nfs/dbraw/zinc/47/26/16/400472616.db2.gz MQYSWIMTKSXJJE-PNESKVBLSA-N 1 0 306.372 3.004 10 0 DGAERO O=C(NCCC[NH+]1CCCCCC1)C1(c2ccc(F)cc2)CC1 ZINC000044298730 400488281 /nfs/dbraw/zinc/48/82/81/400488281.db2.gz OHGHQHRKVTXVRF-UHFFFAOYSA-N 1 0 318.436 3.240 10 0 DGAERO C[NH+](C)C[C@H]1CCCCN1C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000591202194 400498915 /nfs/dbraw/zinc/49/89/15/400498915.db2.gz KUFYFYRAMJHKMC-CYBMUJFWSA-N 1 0 319.836 3.378 10 0 DGAERO Brc1cc(C[C@@H]2CCC[NH2+]2)oc1Br ZINC000134342320 400575625 /nfs/dbraw/zinc/57/56/25/400575625.db2.gz OYEDGOVGTGYSAR-LURJTMIESA-N 1 0 309.001 3.099 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000128910459 400518998 /nfs/dbraw/zinc/51/89/98/400518998.db2.gz IXTYTKXZBGQCMN-WCWCZOKXSA-N 1 0 306.494 3.295 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]2CC([NH2+]Cc3ccccc3)C[C@@H]2C1 ZINC000140493858 400618735 /nfs/dbraw/zinc/61/87/35/400618735.db2.gz YIZIAOOGEHHUIX-HZPDHXFCSA-N 1 0 316.445 3.422 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000075510631 400590001 /nfs/dbraw/zinc/59/00/01/400590001.db2.gz MHVNTFNECCYASJ-DNVCBOLYSA-N 1 0 308.425 3.457 10 0 DGAERO COc1ccc2c(c1)O[C@H](C[NH2+]Cc1ccc(F)cc1)CC2 ZINC000137687897 400596595 /nfs/dbraw/zinc/59/65/95/400596595.db2.gz JFRQEVPTDLISJI-KRWDZBQOSA-N 1 0 301.361 3.318 10 0 DGAERO c1cn([C@H]2CCC[N@@H+](CCSCc3ccccc3)CC2)nn1 ZINC000602892404 400598905 /nfs/dbraw/zinc/59/89/05/400598905.db2.gz PCMGDQQAVYINOT-KRWDZBQOSA-N 1 0 316.474 3.239 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139710387 400611037 /nfs/dbraw/zinc/61/10/37/400611037.db2.gz UUSUICNKILHDCQ-KGLIPLIRSA-N 1 0 315.417 3.196 10 0 DGAERO CCOC(C[NH2+]CCCCCOCCc1ccccc1)OCC ZINC000149244729 400659142 /nfs/dbraw/zinc/65/91/42/400659142.db2.gz FETGPVCYXHSVSR-UHFFFAOYSA-N 1 0 323.477 3.405 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cc(F)ccc2C)CC1 ZINC000157644665 400718726 /nfs/dbraw/zinc/71/87/26/400718726.db2.gz CTUGVYRTNUQNQA-UHFFFAOYSA-N 1 0 307.413 3.378 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000052106003 400718961 /nfs/dbraw/zinc/71/89/61/400718961.db2.gz TUPWRFJLXCGTNR-MSOLQXFVSA-N 1 0 305.462 3.260 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(C)cc2OC)CC1 ZINC000157792674 400719824 /nfs/dbraw/zinc/71/98/24/400719824.db2.gz KQLYNZWONYSGBX-UHFFFAOYSA-N 1 0 319.449 3.247 10 0 DGAERO Cc1ccc(C[C@@H](C)N(C)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000159099752 400727768 /nfs/dbraw/zinc/72/77/68/400727768.db2.gz FWWMTSVYZXOGMG-CVEARBPZSA-N 1 0 317.477 3.050 10 0 DGAERO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000161992075 400742905 /nfs/dbraw/zinc/74/29/05/400742905.db2.gz KCOZVAQOPPAULU-ZWKOTPCHSA-N 1 0 306.494 3.439 10 0 DGAERO CC[N@@H+](CC(=O)c1c(C)[nH]c2ccccc21)C[C@@H]1CCOC1 ZINC000604053401 400745446 /nfs/dbraw/zinc/74/54/46/400745446.db2.gz QSXUQLZGEUOJIJ-AWEZNQCLSA-N 1 0 300.402 3.017 10 0 DGAERO CC(C)[NH2+][C@H]1CCCN(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000603494184 400693123 /nfs/dbraw/zinc/69/31/23/400693123.db2.gz YVIYDODVBAMCPP-AWEZNQCLSA-N 1 0 320.824 3.357 10 0 DGAERO OCC[C@@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000051895857 400708910 /nfs/dbraw/zinc/70/89/10/400708910.db2.gz VICSFFJAJAQEBW-LBPRGKRZSA-N 1 0 318.244 3.467 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)[nH]1 ZINC000603689698 400709510 /nfs/dbraw/zinc/70/95/10/400709510.db2.gz VWWBSOUHVNGSTQ-WBVHZDCISA-N 1 0 317.477 3.358 10 0 DGAERO C[NH2+][C@H](c1ccc(I)cc1)C1CCC1 ZINC000157330690 400716134 /nfs/dbraw/zinc/71/61/34/400716134.db2.gz MQRSREHARZQKEP-LBPRGKRZSA-N 1 0 301.171 3.352 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)N2CCC(C(C)(C)C)CC2)CC1 ZINC000172110300 400814088 /nfs/dbraw/zinc/81/40/88/400814088.db2.gz HIHGBMJAXZIGRN-UHFFFAOYSA-N 1 0 309.498 3.327 10 0 DGAERO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000078606919 400814488 /nfs/dbraw/zinc/81/44/88/400814488.db2.gz BHNHFXOSFDDADT-ZIAGYGMSSA-N 1 0 320.433 3.213 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(-c2nccs2)c1 ZINC000054307606 400817613 /nfs/dbraw/zinc/81/76/13/400817613.db2.gz AAWNHDZMIZSWNK-GFCCVEGCSA-N 1 0 301.415 3.138 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccccc1Cl ZINC000054308077 400817909 /nfs/dbraw/zinc/81/79/09/400817909.db2.gz CWWFDVHZWPZJJM-CJNGLKHVSA-N 1 0 306.837 3.393 10 0 DGAERO CC[C@H](C)[N@@H+](Cc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000169678773 400759041 /nfs/dbraw/zinc/75/90/41/400759041.db2.gz GVGDVOGMPPBMIL-DOTOQJQBSA-N 1 0 311.441 3.460 10 0 DGAERO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)Nc1nccs1 ZINC000053099024 400764938 /nfs/dbraw/zinc/76/49/38/400764938.db2.gz XZWVFIVVRVWFSO-AWEZNQCLSA-N 1 0 321.833 3.476 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000170832208 400776522 /nfs/dbraw/zinc/77/65/22/400776522.db2.gz MCLVDDPNLGCEFJ-QZTJIDSGSA-N 1 0 315.461 3.263 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000171176400 400788448 /nfs/dbraw/zinc/78/84/48/400788448.db2.gz ILLTZXAIKYGLOG-HNNXBMFYSA-N 1 0 319.449 3.392 10 0 DGAERO Cc1ccccc1C[NH+]1CCN(Cc2ccn(C(C)C)n2)CC1 ZINC000172333689 400821759 /nfs/dbraw/zinc/82/17/59/400821759.db2.gz GKSRKZANLDAAOX-UHFFFAOYSA-N 1 0 312.461 3.090 10 0 DGAERO C[C@@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000079511559 400871866 /nfs/dbraw/zinc/87/18/66/400871866.db2.gz AMKVBCNSIAWULG-LBPRGKRZSA-N 1 0 306.715 3.439 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000605690338 400883108 /nfs/dbraw/zinc/88/31/08/400883108.db2.gz MLXGRBPHDRGYTQ-UWWQBHOKSA-N 1 0 318.436 3.405 10 0 DGAERO COC(C)(C)C[C@@H](C)[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000174555366 400859483 /nfs/dbraw/zinc/85/94/83/400859483.db2.gz BWRDKUNWTLJWSK-CYBMUJFWSA-N 1 0 304.438 3.305 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)on1 ZINC000055403821 400866781 /nfs/dbraw/zinc/86/67/81/400866781.db2.gz UJQJZGUMFWXEOD-MRXNPFEDSA-N 1 0 319.792 3.316 10 0 DGAERO Cc1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000175768299 400868638 /nfs/dbraw/zinc/86/86/38/400868638.db2.gz PBLXEDHMOHYXFL-AWEZNQCLSA-N 1 0 303.431 3.481 10 0 DGAERO CC[N@@H+]1CCC[C@]12CCN(c1ccc(N)c(OC(C)C)c1)C2 ZINC000215977931 400947833 /nfs/dbraw/zinc/94/78/33/400947833.db2.gz KIFOTUFZYSSPJX-GOSISDBHSA-N 1 0 303.450 3.121 10 0 DGAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cc3cccc(Cl)c3nc2C)C1 ZINC000633437190 400951255 /nfs/dbraw/zinc/95/12/55/400951255.db2.gz GARNOAJGHYRNGL-CYBMUJFWSA-N 1 0 317.820 3.021 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]CCOCC(C)C)c1ccccc1 ZINC000619720497 400893400 /nfs/dbraw/zinc/89/34/00/400893400.db2.gz JEMRZMJLUPFZCI-INIZCTEOSA-N 1 0 307.434 3.189 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000606240041 400896897 /nfs/dbraw/zinc/89/68/97/400896897.db2.gz GXWFWFZDIXQIJS-IRXDYDNUSA-N 1 0 302.462 3.479 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000606712872 400953594 /nfs/dbraw/zinc/95/35/94/400953594.db2.gz YVFVJGKXGUISGA-WMZOPIPTSA-N 1 0 317.477 3.271 10 0 DGAERO CCc1nc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)sc1C ZINC000246037250 401018769 /nfs/dbraw/zinc/01/87/69/401018769.db2.gz NCXQNIRUAILDER-CHWSQXEVSA-N 1 0 322.478 3.104 10 0 DGAERO COc1cc(F)ccc1-c1ccnc2[nH]c([C@@H]3CC[NH2+]C3)cc21 ZINC000226073121 400960519 /nfs/dbraw/zinc/96/05/19/400960519.db2.gz WCJPJSLFJFGFFZ-LLVKDONJSA-N 1 0 311.360 3.455 10 0 DGAERO Cc1c(Br)cccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000232211183 400970224 /nfs/dbraw/zinc/97/02/24/400970224.db2.gz NEQXTYFJJPLYJG-LLVKDONJSA-N 1 0 311.223 3.086 10 0 DGAERO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000232307311 400971988 /nfs/dbraw/zinc/97/19/88/400971988.db2.gz FKQWXOZNIIMASJ-GZMMTYOYSA-N 1 0 302.205 3.337 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)Cc2ccc(C)cc2)C1 ZINC000247431925 401054320 /nfs/dbraw/zinc/05/43/20/401054320.db2.gz WLQBZNQIXHQQDY-AEFFLSMTSA-N 1 0 317.477 3.052 10 0 DGAERO CC[C@@H]1CN(Cc2ccncc2Br)CCS1 ZINC000625198210 401057086 /nfs/dbraw/zinc/05/70/86/401057086.db2.gz RLCXIHJJQKTFSW-LLVKDONJSA-N 1 0 301.253 3.172 10 0 DGAERO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000248500232 401072170 /nfs/dbraw/zinc/07/21/70/401072170.db2.gz SSBPWCLPNYUYOS-KGLIPLIRSA-N 1 0 317.351 3.009 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000057879633 401034201 /nfs/dbraw/zinc/03/42/01/401034201.db2.gz OBTPEEDIOOUXAJ-CYBMUJFWSA-N 1 0 319.449 3.085 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCCC[C@H]2c2ccco2)C1 ZINC000246787577 401036916 /nfs/dbraw/zinc/03/69/16/401036916.db2.gz PRXKYHZGTGVQPU-HOTGVXAUSA-N 1 0 319.449 3.391 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000247136683 401045846 /nfs/dbraw/zinc/04/58/46/401045846.db2.gz AWSCVHVQGCALSK-ZIAGYGMSSA-N 1 0 324.490 3.312 10 0 DGAERO C[N@H+](CCCCCO)Cc1ccc(Br)c(F)c1F ZINC000625380495 401116018 /nfs/dbraw/zinc/11/60/18/401116018.db2.gz XDMUIMQLVNUDOM-UHFFFAOYSA-N 1 0 322.193 3.322 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)C1 ZINC000262324205 401116738 /nfs/dbraw/zinc/11/67/38/401116738.db2.gz WRAMOXVUMZGKEL-OKYOBFRVSA-N 1 0 314.473 3.422 10 0 DGAERO O=C(N[C@@H]1CCc2c1cccc2Cl)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262466538 401117626 /nfs/dbraw/zinc/11/76/26/401117626.db2.gz XZGZBVFTTPZVNJ-BEMMVCDISA-N 1 0 318.848 3.364 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000358224341 286002864 /nfs/dbraw/zinc/00/28/64/286002864.db2.gz MFRMJAHFEGRERI-KRWDZBQOSA-N 1 0 310.445 3.175 10 0 DGAERO Cc1c([C@@H](C)[NH2+]CCc2ccccc2O)nnn1-c1ccccc1 ZINC000358225540 286003279 /nfs/dbraw/zinc/00/32/79/286003279.db2.gz SLYITVGXJUORCE-CQSZACIVSA-N 1 0 322.412 3.175 10 0 DGAERO C(=C\[C@@H]1CCC[N@H+]1CCOC1CCOCC1)\c1ccccc1 ZINC000625316036 401097114 /nfs/dbraw/zinc/09/71/14/401097114.db2.gz VCQFKRCMWLZDGT-GIFJBRJJSA-N 1 0 301.430 3.360 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC2(CC2)c2ccccc21 ZINC000358275807 286018222 /nfs/dbraw/zinc/01/82/22/286018222.db2.gz NTLWBSSXZBVAAP-HNNXBMFYSA-N 1 0 313.445 3.122 10 0 DGAERO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)cc1OC ZINC000358284086 286020274 /nfs/dbraw/zinc/02/02/74/286020274.db2.gz DVKOEUGUIGGWHY-CMPLNLGQSA-N 1 0 321.396 3.156 10 0 DGAERO c1[nH]nc2c1C[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)CC2 ZINC000358308833 286027340 /nfs/dbraw/zinc/02/73/40/286027340.db2.gz ZOTSZCQQLZHBIM-FNHZYXHNSA-N 1 0 311.429 3.025 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1cncc(F)c1 ZINC000358293251 286022485 /nfs/dbraw/zinc/02/24/85/286022485.db2.gz XWCOHIFXAQWXIE-WFASDCNBSA-N 1 0 302.349 3.101 10 0 DGAERO COc1ccc(C[NH2+]CC[C@@H]2CC2(F)F)c(Cl)c1OC ZINC000621378033 401192811 /nfs/dbraw/zinc/19/28/11/401192811.db2.gz MCQXZISQQAOQTI-SNVBAGLBSA-N 1 0 305.752 3.492 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC000621387802 401195760 /nfs/dbraw/zinc/19/57/60/401195760.db2.gz OXUOFFSWUFZTHD-IPMKNSEASA-N 1 0 300.446 3.313 10 0 DGAERO CCC1([NH+](C)C)CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000634119089 401210637 /nfs/dbraw/zinc/21/06/37/401210637.db2.gz NHPFSZHHENYWNP-UHFFFAOYSA-N 1 0 312.816 3.426 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000608241048 401211825 /nfs/dbraw/zinc/21/18/25/401211825.db2.gz UIRRZKOUCOWELT-LBPRGKRZSA-N 1 0 319.836 3.235 10 0 DGAERO CC(C)n1cc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)cn1 ZINC000608069329 401180123 /nfs/dbraw/zinc/18/01/23/401180123.db2.gz BQDXLJDLDINTDC-SFHVURJKSA-N 1 0 323.444 3.271 10 0 DGAERO c1cc(-c2noc(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)n2)co1 ZINC000608498724 401263610 /nfs/dbraw/zinc/26/36/10/401263610.db2.gz KTNGXKONBYNSHF-OAHLLOKOSA-N 1 0 317.389 3.253 10 0 DGAERO c1ccc2c(c1)OC[C@@H](C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)O2 ZINC000608498711 401263855 /nfs/dbraw/zinc/26/38/55/401263855.db2.gz HORQZGZUIRSDEM-DLBZAZTESA-N 1 0 317.429 3.250 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)Nc2cc(Cl)ccc2Cl)C[NH2+]1 ZINC000625826877 401228685 /nfs/dbraw/zinc/22/86/85/401228685.db2.gz OCXYEPMOVALMNZ-SCZZXKLOSA-N 1 0 302.205 3.255 10 0 DGAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc(C2CCCCC2)no1 ZINC000634553708 401307292 /nfs/dbraw/zinc/30/72/92/401307292.db2.gz FHXGGALFIPJYCY-MRXNPFEDSA-N 1 0 314.433 3.249 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000066162149 401295153 /nfs/dbraw/zinc/29/51/53/401295153.db2.gz CJBQRWVWFRSJJD-PBHICJAKSA-N 1 0 317.433 3.096 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)c2ccccc21 ZINC000621761775 401297319 /nfs/dbraw/zinc/29/73/19/401297319.db2.gz MZAKDPOTBXARMJ-ZDUSSCGKSA-N 1 0 312.335 3.416 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)c2ccccc21 ZINC000621765224 401297666 /nfs/dbraw/zinc/29/76/66/401297666.db2.gz UHHFZTXMQHYURF-ZFWWWQNUSA-N 1 0 308.372 3.365 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)c2ccccn2)c2ccccc21 ZINC000621764656 401297807 /nfs/dbraw/zinc/29/78/07/401297807.db2.gz KKVRHAGBDROHGH-KBXCAEBGSA-N 1 0 309.413 3.273 10 0 DGAERO c1ccc(CN2CCC([NH2+][C@@H](c3cccnc3)C3CC3)CC2)nc1 ZINC000358371846 286043895 /nfs/dbraw/zinc/04/38/95/286043895.db2.gz AWIGSDSRBLJELG-HXUWFJFHSA-N 1 0 322.456 3.182 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC3)CC2)cc1 ZINC000626113797 401303958 /nfs/dbraw/zinc/30/39/58/401303958.db2.gz GVXKRSFJIIGZNV-CQSZACIVSA-N 1 0 314.429 3.482 10 0 DGAERO CC(=O)N1CCC([NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631036073 401374725 /nfs/dbraw/zinc/37/47/25/401374725.db2.gz VVEWEOGCZBCHLK-UHFFFAOYSA-N 1 0 306.793 3.187 10 0 DGAERO c1cc(C[NH2+]C[C@H]2OCCc3ccccc32)n(CC2CCC2)n1 ZINC000631071748 401383932 /nfs/dbraw/zinc/38/39/32/401383932.db2.gz PBBZTNNHHYPOJD-LJQANCHMSA-N 1 0 311.429 3.087 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634952263 401387440 /nfs/dbraw/zinc/38/74/40/401387440.db2.gz ULFUJALKGRXDEV-ZNMIVQPWSA-N 1 0 301.496 3.148 10 0 DGAERO c1ccc(-c2ccccc2OCCNCC23CC(C2)C[NH2+]3)cc1 ZINC000634995569 401397412 /nfs/dbraw/zinc/39/74/12/401397412.db2.gz ISGKKIJUSXGRJT-UHFFFAOYSA-N 1 0 308.425 3.074 10 0 DGAERO C[C@@H]1CC(C[NH2+]Cc2ccncc2Br)C[C@@H](C)O1 ZINC000631125506 401402358 /nfs/dbraw/zinc/40/23/58/401402358.db2.gz ARQMGEYUUFGCQC-GHMZBOCLSA-N 1 0 313.239 3.137 10 0 DGAERO c1cc(C[NH2+][C@H]2CCCC23CCOCC3)n(CC2CCC2)n1 ZINC000631127443 401403491 /nfs/dbraw/zinc/40/34/91/401403491.db2.gz GCDJEIXURDQQCC-KRWDZBQOSA-N 1 0 303.450 3.122 10 0 DGAERO Brc1cnccc1C[NH2+]CCCC1CCOCC1 ZINC000631149074 401408461 /nfs/dbraw/zinc/40/84/61/401408461.db2.gz YTXHRKKPWOQWPG-UHFFFAOYSA-N 1 0 313.239 3.141 10 0 DGAERO c1c(C[NH2+]CC2([C@H]3CCCCO3)CCC2)nn2c1CCCC2 ZINC000631245514 401436228 /nfs/dbraw/zinc/43/62/28/401436228.db2.gz QRSUEGIIHSIYKD-QGZVFWFLSA-N 1 0 303.450 3.048 10 0 DGAERO C([NH2+]CC1([C@H]2CCCCO2)CCC1)c1nc2c(s1)CCC2 ZINC000631245557 401436312 /nfs/dbraw/zinc/43/63/12/401436312.db2.gz OAXWLTQRRBBFDA-OAHLLOKOSA-N 1 0 306.475 3.461 10 0 DGAERO C[C@H](CC1CCC1)[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000631251623 401437712 /nfs/dbraw/zinc/43/77/12/401437712.db2.gz BZVZSGOWVADWTQ-LLVKDONJSA-N 1 0 315.866 3.412 10 0 DGAERO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000631298493 401447632 /nfs/dbraw/zinc/44/76/32/401447632.db2.gz LNJNLMTZBDOCEB-CQSZACIVSA-N 1 0 311.414 3.026 10 0 DGAERO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccccc1Br ZINC000631696715 401538625 /nfs/dbraw/zinc/53/86/25/401538625.db2.gz SNBNGRSNFMBAJY-KCJUWKMLSA-N 1 0 308.166 3.116 10 0 DGAERO Brc1sccc1CN[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000623410401 401510433 /nfs/dbraw/zinc/51/04/33/401510433.db2.gz NKDICUBXBJUZBE-GFCCVEGCSA-N 1 0 315.280 3.085 10 0 DGAERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc(Br)c1 ZINC000631694610 401537511 /nfs/dbraw/zinc/53/75/11/401537511.db2.gz CSTNVJRJIXWHMH-GZMMTYOYSA-N 1 0 308.166 3.116 10 0 DGAERO c1sc(C2CCCC2)nc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889710 401564836 /nfs/dbraw/zinc/56/48/36/401564836.db2.gz LWWQFXMKDJXGTA-GOEBONIOSA-N 1 0 305.491 3.375 10 0 DGAERO c1cc(COc2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)ccn1 ZINC000623752716 401575833 /nfs/dbraw/zinc/57/58/33/401575833.db2.gz KCNNEYAXHMRERE-AZUAARDMSA-N 1 0 324.424 3.318 10 0 DGAERO c1cc(Sc2ccccn2)oc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000623755025 401576407 /nfs/dbraw/zinc/57/64/07/401576407.db2.gz XNUXLXNSTKNPIY-ZFWWWQNUSA-N 1 0 316.426 3.483 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000623753261 401576762 /nfs/dbraw/zinc/57/67/62/401576762.db2.gz UZYOJFUMXZVNNM-UYAOXDASSA-N 1 0 324.424 3.318 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000623822577 401583504 /nfs/dbraw/zinc/58/35/04/401583504.db2.gz QRRLWMSLUAXZKJ-PHIMTYICSA-N 1 0 302.187 3.103 10 0 DGAERO c1coc(CC2C[NH+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)c1 ZINC000628432951 401597448 /nfs/dbraw/zinc/59/74/48/401597448.db2.gz AFLFMVNVXCBJNH-LJQANCHMSA-N 1 0 313.397 3.122 10 0 DGAERO O[C@H](CC[NH2+][C@@H]1CCc2ccc(Br)cc21)C(F)F ZINC000631702713 401540472 /nfs/dbraw/zinc/54/04/72/401540472.db2.gz RUGYFKHEIDAVPH-VXGBXAGGSA-N 1 0 320.177 3.042 10 0 DGAERO c1nn2c(c1NC1CC[NH+](C3CCCCC3)CC1)CCCC2 ZINC000631710539 401542158 /nfs/dbraw/zinc/54/21/58/401542158.db2.gz CRZKGNWVJXRDBY-UHFFFAOYSA-N 1 0 302.466 3.428 10 0 DGAERO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1([C@H]2CCCCO2)CCC1 ZINC000631731712 401546105 /nfs/dbraw/zinc/54/61/05/401546105.db2.gz BHKHTPAVQPVWFA-HZMVEIRTSA-N 1 0 305.462 3.273 10 0 DGAERO CO[C@@](C)(C[NH2+]Cc1ccnc(C)c1)COCc1ccccc1 ZINC000623563754 401547726 /nfs/dbraw/zinc/54/77/26/401547726.db2.gz JGEGBTPIQQEFSE-IBGZPJMESA-N 1 0 314.429 3.102 10 0 DGAERO OC(C[NH2+]Cc1csc(C(F)(F)F)c1)(C1CC1)C1CC1 ZINC000623570947 401548702 /nfs/dbraw/zinc/54/87/02/401548702.db2.gz JDPDUWBOKNULMI-UHFFFAOYSA-N 1 0 305.365 3.408 10 0 DGAERO Cc1ncc(C[NH2+]CCc2ccc(Br)s2)o1 ZINC000628209432 401550506 /nfs/dbraw/zinc/55/05/06/401550506.db2.gz DEDORAMRIVKEDO-UHFFFAOYSA-N 1 0 301.209 3.139 10 0 DGAERO Cc1nc(C)c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000628225761 401553679 /nfs/dbraw/zinc/55/36/79/401553679.db2.gz MNWRWEYJYBVQSA-RDTXWAMCSA-N 1 0 313.445 3.434 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000624308414 401649118 /nfs/dbraw/zinc/64/91/18/401649118.db2.gz LRBLPFHLQYKUKB-KNXALSJPSA-N 1 0 324.262 3.321 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]([NH3+])C2)cc1Cl ZINC000632931225 401639116 /nfs/dbraw/zinc/63/91/16/401639116.db2.gz IICRCOPZLYLNOK-GFCCVEGCSA-N 1 0 323.824 3.278 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc3ccc(C)nc32)C1 ZINC000358507360 286080099 /nfs/dbraw/zinc/08/00/99/286080099.db2.gz KOWUKWIGRNKYDO-CQSZACIVSA-N 1 0 312.417 3.007 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C2 ZINC000624056106 401619527 /nfs/dbraw/zinc/61/95/27/401619527.db2.gz XWJVSOHUHKOIAV-FUMNGEBKSA-N 1 0 315.457 3.313 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@H]1CCc3cccnc3CC1)C2 ZINC000624056654 401620095 /nfs/dbraw/zinc/62/00/95/401620095.db2.gz ITUIEJZZACIHLR-OALUTQOASA-N 1 0 308.425 3.060 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000624312389 401649585 /nfs/dbraw/zinc/64/95/85/401649585.db2.gz QJVGDCLFLCXWGW-KYOSRNDESA-N 1 0 312.251 3.395 10 0 DGAERO Cc1ccc([C@@H](C[NH2+]CCC(C)(C)C)N2CCOCC2)s1 ZINC000112697891 292201620 /nfs/dbraw/zinc/20/16/20/292201620.db2.gz DKUTTWTZEMRCGW-OAHLLOKOSA-N 1 0 310.507 3.456 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2COC(C)(C)C)C1 ZINC000358570928 286096077 /nfs/dbraw/zinc/09/60/77/286096077.db2.gz NTVFCVSWUCGAJC-HNNXBMFYSA-N 1 0 318.461 3.073 10 0 DGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncc(Br)cc1F ZINC000624384233 401657343 /nfs/dbraw/zinc/65/73/43/401657343.db2.gz JZAZYSMIKHEXGX-SNVBAGLBSA-N 1 0 316.218 3.268 10 0 DGAERO CC[N@H+](CCNC(=O)NCc1ccc(C2CC2)cc1)C(C)C ZINC000358633741 286112932 /nfs/dbraw/zinc/11/29/32/286112932.db2.gz MKLRTGNCIINXEI-UHFFFAOYSA-N 1 0 303.450 3.094 10 0 DGAERO Cc1ccc([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)o1 ZINC000120517088 292208430 /nfs/dbraw/zinc/20/84/30/292208430.db2.gz GCXCRVLTTSSJHL-INIZCTEOSA-N 1 0 304.434 3.374 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000358785374 286153820 /nfs/dbraw/zinc/15/38/20/286153820.db2.gz ZYNGEOWNVXISKS-ZIAGYGMSSA-N 1 0 302.409 3.193 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000358919880 286187591 /nfs/dbraw/zinc/18/75/91/286187591.db2.gz YQUQZDODJUBWCN-YJBOKZPZSA-N 1 0 311.429 3.266 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000358991246 286208283 /nfs/dbraw/zinc/20/82/83/286208283.db2.gz XPKNYMULAMWDJA-ROUUACIJSA-N 1 0 324.509 3.066 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000359016434 286216053 /nfs/dbraw/zinc/21/60/53/286216053.db2.gz HAEHOFAAYMWOGB-KXBFYZLASA-N 1 0 318.436 3.433 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000359049283 286224206 /nfs/dbraw/zinc/22/42/06/286224206.db2.gz DFFIDDVTOVXPQX-QWHCGFSZSA-N 1 0 323.506 3.492 10 0 DGAERO Cc1c(NC(=O)CC2CC[NH+](C)CC2)cccc1-c1ncco1 ZINC000359138067 286246012 /nfs/dbraw/zinc/24/60/12/286246012.db2.gz JLNFMANSSNMNSD-UHFFFAOYSA-N 1 0 313.401 3.320 10 0 DGAERO Cn1ccc([C@H]([NH2+][C@@H]2CCOC(C)(C)C2)c2ccc(F)cc2)n1 ZINC000359209209 286261528 /nfs/dbraw/zinc/26/15/28/286261528.db2.gz ILOFHPPOQCYYEX-NVXWUHKLSA-N 1 0 317.408 3.196 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCCCCCSC)C12CCOCC2 ZINC000186501440 286280417 /nfs/dbraw/zinc/28/04/17/286280417.db2.gz LCPLQGCKLMKCOB-HZPDHXFCSA-N 1 0 315.523 3.474 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc(C(F)F)cc2)CC1 ZINC000359475087 286315977 /nfs/dbraw/zinc/31/59/77/286315977.db2.gz TUPZPBGZURGKDU-UHFFFAOYSA-N 1 0 310.388 3.476 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)CCSc2ccccc2)CC1 ZINC000359492703 286319836 /nfs/dbraw/zinc/31/98/36/286319836.db2.gz IVFKGUFHPIQBTL-UHFFFAOYSA-N 1 0 320.502 3.407 10 0 DGAERO c1ccc2c(c1)CC[C@H](C[NH+]1CCC(O[C@@H]3CCOC3)CC1)C2 ZINC000359614452 286347217 /nfs/dbraw/zinc/34/72/17/286347217.db2.gz YZJNLFOOLHHRDU-OXJNMPFZSA-N 1 0 315.457 3.061 10 0 DGAERO Cc1sccc1CC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000359803599 286383064 /nfs/dbraw/zinc/38/30/64/286383064.db2.gz LLOOCBMKMAZAOB-MRXNPFEDSA-N 1 0 320.433 3.157 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cnn(C(C)C)c2)C12CCOCC2 ZINC000248925857 286402567 /nfs/dbraw/zinc/40/25/67/286402567.db2.gz FXRSZPPIGVFBFV-HYVNUMGLSA-N 1 0 321.465 3.089 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(OC)c2)C12CCOCC2 ZINC000249029070 286402623 /nfs/dbraw/zinc/40/26/23/286402623.db2.gz SDOBQCUJYONGLW-FHLIZLRMSA-N 1 0 319.445 3.320 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360030080 286411077 /nfs/dbraw/zinc/41/10/77/286411077.db2.gz UAPODIZFBSPPKU-NVXWUHKLSA-N 1 0 317.477 3.223 10 0 DGAERO CC(C)=CCC[C@H](C)CC[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC000360921626 286555356 /nfs/dbraw/zinc/55/53/56/286555356.db2.gz IQXIXMMHGZFSLT-INIZCTEOSA-N 1 0 320.481 3.268 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc2c1OCO2 ZINC000360964739 286563889 /nfs/dbraw/zinc/56/38/89/286563889.db2.gz XIOIPABCHUVFGG-BZUAXINKSA-N 1 0 303.402 3.100 10 0 DGAERO c1cc(C2CCCC2)ccc1C[NH2+]CCc1nnc2n1CCC2 ZINC000360985374 286569795 /nfs/dbraw/zinc/56/97/95/286569795.db2.gz HRCVAJMIASHQFJ-UHFFFAOYSA-N 1 0 310.445 3.214 10 0 DGAERO O=C(C1CC[NH+](CCCc2ccsc2)CC1)N1CCCC1 ZINC000361020565 286578242 /nfs/dbraw/zinc/57/82/42/286578242.db2.gz MOTLDWKYORPELD-UHFFFAOYSA-N 1 0 306.475 3.015 10 0 DGAERO O=C1[C@@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)CCN1C1CC1 ZINC000361321842 286652059 /nfs/dbraw/zinc/65/20/59/286652059.db2.gz QVHFTPQAMMZPLE-IBGZPJMESA-N 1 0 323.440 3.111 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)n1 ZINC000361924369 286745313 /nfs/dbraw/zinc/74/53/13/286745313.db2.gz NERPUZUFVMYALG-ZDUSSCGKSA-N 1 0 316.401 3.001 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@H]1c1ccco1)[NH+]1CCC(C)CC1 ZINC000116538780 286862165 /nfs/dbraw/zinc/86/21/65/286862165.db2.gz ILPIDMLIMPPBBW-HOTGVXAUSA-N 1 0 319.449 3.247 10 0 DGAERO c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000364302425 287009654 /nfs/dbraw/zinc/00/96/54/287009654.db2.gz JKFKEDOJNUEEIS-QRTARXTBSA-N 1 0 305.443 3.151 10 0 DGAERO COc1ccc(C2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)cc1 ZINC000364843977 287066581 /nfs/dbraw/zinc/06/65/81/287066581.db2.gz ODECNJGBWUBPCF-CQSZACIVSA-N 1 0 317.351 3.188 10 0 DGAERO C[C@@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1F ZINC000171281602 164624799 /nfs/dbraw/zinc/62/47/99/164624799.db2.gz YRNJQURWRJJNQF-HNNXBMFYSA-N 1 0 318.436 3.406 10 0 DGAERO Cc1ccccc1SCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000173045646 164684074 /nfs/dbraw/zinc/68/40/74/164684074.db2.gz UHKPXJAWLWVION-CQSZACIVSA-N 1 0 308.491 3.180 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)c(F)c1F ZINC000176256258 164776857 /nfs/dbraw/zinc/77/68/57/164776857.db2.gz IIFRMJWAJVUQGX-JTQLQIEISA-N 1 0 315.339 3.052 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC23CCCCC3)CC1 ZINC000180424957 164883763 /nfs/dbraw/zinc/88/37/63/164883763.db2.gz POGUDFMLYNPGIV-GPANFISMSA-N 1 0 307.482 3.129 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(Cl)c2F)C1 ZINC000186142260 165029023 /nfs/dbraw/zinc/02/90/23/165029023.db2.gz GKSDSXGTRFCPSV-SKDRFNHKSA-N 1 0 316.779 3.077 10 0 DGAERO CC(C)CCNC(=O)[C@H](C)N1Cc2ccccc2C2(CC2)C1 ZINC000186176122 165030589 /nfs/dbraw/zinc/03/05/89/165030589.db2.gz GQFAOOXIPLAKSV-HNNXBMFYSA-N 1 0 300.446 3.085 10 0 DGAERO CSc1ccc(C)c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186555090 165049930 /nfs/dbraw/zinc/04/99/30/165049930.db2.gz KTNDRAVREMMWJB-CYBMUJFWSA-N 1 0 304.459 3.074 10 0 DGAERO CCC1(CC)CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000186555178 165050107 /nfs/dbraw/zinc/05/01/07/165050107.db2.gz XOTUUXOKLOTTAX-UHFFFAOYSA-N 1 0 302.422 3.477 10 0 DGAERO CCOC(=O)C[C@](C)([NH2+]Cc1ncc(C)c(OC)c1C)C(C)C ZINC000186680427 165055097 /nfs/dbraw/zinc/05/50/97/165055097.db2.gz BZKFWALQVMUYAB-SFHVURJKSA-N 1 0 322.449 3.165 10 0 DGAERO CN(CC[N@H+](C)C1CC1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000186775783 165059518 /nfs/dbraw/zinc/05/95/18/165059518.db2.gz MHUNGHUMJJIZND-UHFFFAOYSA-N 1 0 303.381 3.007 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C1CCS(=O)(=O)CC1 ZINC000186967662 165069602 /nfs/dbraw/zinc/06/96/02/165069602.db2.gz UZPXZUYMEVFUOC-ZJUUUORDSA-N 1 0 321.895 3.265 10 0 DGAERO Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C)n1 ZINC000187249757 165083288 /nfs/dbraw/zinc/08/32/88/165083288.db2.gz KUWYBJISIFRFFN-YJBOKZPZSA-N 1 0 311.429 3.120 10 0 DGAERO CC(C)CCOc1ccc(CN2CCO[C@]3(CCOC3)C2)cc1 ZINC000187531640 165092910 /nfs/dbraw/zinc/09/29/10/165092910.db2.gz ORIMASMDVYLMPY-LJQANCHMSA-N 1 0 319.445 3.103 10 0 DGAERO C[NH+]1CCC(CCNC(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000188567365 165128057 /nfs/dbraw/zinc/12/80/57/165128057.db2.gz BTPHABYUDWWZTK-UHFFFAOYSA-N 1 0 315.461 3.095 10 0 DGAERO COc1cc(NC2CC[NH+](Cc3cccnc3)CC2)ccc1F ZINC000188588937 165128154 /nfs/dbraw/zinc/12/81/54/165128154.db2.gz BNXPFZLWWPWXSS-UHFFFAOYSA-N 1 0 315.392 3.306 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CC[NH+]2CCC1CC2 ZINC000188616656 165130816 /nfs/dbraw/zinc/13/08/16/165130816.db2.gz INDBQHHNJHFAJV-WOJBJXKFSA-N 1 0 320.436 3.250 10 0 DGAERO O=C(Cc1cccc2ccccc21)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188724153 165134007 /nfs/dbraw/zinc/13/40/07/165134007.db2.gz QEWWMMLYYMZVQT-UHFFFAOYSA-N 1 0 316.404 3.302 10 0 DGAERO O=C(/C=C/c1cc2ccccc2o1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188747453 165135620 /nfs/dbraw/zinc/13/56/20/165135620.db2.gz COABZRQIOIDJEI-BQYQJAHWSA-N 1 0 318.376 3.366 10 0 DGAERO O=C(N1CC[NH+]2CCC1CC2)C1(c2cccs2)CCCCC1 ZINC000188850635 165139727 /nfs/dbraw/zinc/13/97/27/165139727.db2.gz VJZCVMQLZHXABH-UHFFFAOYSA-N 1 0 318.486 3.257 10 0 DGAERO C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188852737 165139927 /nfs/dbraw/zinc/13/99/27/165139927.db2.gz SRODWADSHOGJCU-ACCUITESSA-N 1 0 304.821 3.050 10 0 DGAERO O=C(c1ccccc1Nc1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000188860003 165141172 /nfs/dbraw/zinc/14/11/72/165141172.db2.gz OCTQADBIANGWLL-UHFFFAOYSA-N 1 0 321.424 3.350 10 0 DGAERO CCCCCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188964098 165142896 /nfs/dbraw/zinc/14/28/96/165142896.db2.gz CWKIQHWHODLAGR-CJNGLKHVSA-N 1 0 310.388 3.107 10 0 DGAERO CC1CCC([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000189053196 165148593 /nfs/dbraw/zinc/14/85/93/165148593.db2.gz XQIQVIJFUQEEMW-IMRCBTMISA-N 1 0 304.409 3.095 10 0 DGAERO CC(C)c1n[nH]cc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000189124813 165150624 /nfs/dbraw/zinc/15/06/24/165150624.db2.gz XYKXFCQSRUNXGF-GASCZTMLSA-N 1 0 320.481 3.021 10 0 DGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2C(C)C)C1 ZINC000189367364 165158919 /nfs/dbraw/zinc/15/89/19/165158919.db2.gz LXPPJGFOVWGVRE-AWEZNQCLSA-N 1 0 320.481 3.164 10 0 DGAERO c1ccc(NCCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)nc1 ZINC000365074951 287094580 /nfs/dbraw/zinc/09/45/80/287094580.db2.gz XRCPGIGYCFGIRE-IXDOHACOSA-N 1 0 303.450 3.069 10 0 DGAERO Cc1nc([C@H]2CCCN2CC(=O)N(C)[C@@H](C)CC(C)C)cs1 ZINC000189802009 165176540 /nfs/dbraw/zinc/17/65/40/165176540.db2.gz ZWQFBBIERCOCSH-XJKSGUPXSA-N 1 0 323.506 3.481 10 0 DGAERO Cc1nc([C@H]2CCCN2CC(=O)NCC2CCCCC2)cs1 ZINC000189772779 165176803 /nfs/dbraw/zinc/17/68/03/165176803.db2.gz MTDAYQXKDVVZOC-MRXNPFEDSA-N 1 0 321.490 3.285 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1O ZINC000190064816 165188071 /nfs/dbraw/zinc/18/80/71/165188071.db2.gz XHODKWSLUBWGEC-ACJLOTCBSA-N 1 0 300.377 3.090 10 0 DGAERO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)CC3CC(O)C3)o2)cc1C ZINC000190186354 165190785 /nfs/dbraw/zinc/19/07/85/165190785.db2.gz ZRTAYKIKKWPPHR-HLIUYOAVSA-N 1 0 315.417 3.117 10 0 DGAERO CC[C@H]1CCC[C@H](C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)C1 ZINC000190421187 165201920 /nfs/dbraw/zinc/20/19/20/165201920.db2.gz HVOGGRLJMZWWPR-YHUYYLMFSA-N 1 0 307.438 3.356 10 0 DGAERO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)CC1CCCC1 ZINC000191036347 165227217 /nfs/dbraw/zinc/22/72/17/165227217.db2.gz PXDDXNBALKVYDV-QFBILLFUSA-N 1 0 305.462 3.201 10 0 DGAERO COCCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)cn1 ZINC000191351134 165244347 /nfs/dbraw/zinc/24/43/47/165244347.db2.gz RDLFFMCDLKKEJX-MRXNPFEDSA-N 1 0 315.417 3.094 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000191596733 165261519 /nfs/dbraw/zinc/26/15/19/165261519.db2.gz RNMXBHDKDQUVIN-INIZCTEOSA-N 1 0 315.461 3.047 10 0 DGAERO COC(=O)[C@H](C)N(Cc1cnc(CC(C)C)s1)C1CCC1 ZINC000191642705 165262827 /nfs/dbraw/zinc/26/28/27/165262827.db2.gz STQMXNMIMJCWQO-LBPRGKRZSA-N 1 0 310.463 3.258 10 0 DGAERO CCCn1cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)cn1 ZINC000191715113 165266622 /nfs/dbraw/zinc/26/66/22/165266622.db2.gz KWZHYFZEHYCOPA-QFBILLFUSA-N 1 0 315.461 3.013 10 0 DGAERO COc1cccc(C[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c1F ZINC000192662176 165300526 /nfs/dbraw/zinc/30/05/26/165300526.db2.gz ROUALMXTXOTXGV-AWEZNQCLSA-N 1 0 314.360 3.050 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1 ZINC000192711487 165303788 /nfs/dbraw/zinc/30/37/88/165303788.db2.gz YZSWSNXGKQWJMG-HNNXBMFYSA-N 1 0 310.445 3.359 10 0 DGAERO Cc1c[nH+]ccc1N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000192766802 165306621 /nfs/dbraw/zinc/30/66/21/165306621.db2.gz XTQLFGWQNBSBRY-ZNMIVQPWSA-N 1 0 317.433 3.130 10 0 DGAERO COc1ncccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000193365080 165324102 /nfs/dbraw/zinc/32/41/02/165324102.db2.gz QAYQZFPZROKCRN-MSOLQXFVSA-N 1 0 312.413 3.178 10 0 DGAERO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(OC)c2)o1 ZINC000194994908 165359478 /nfs/dbraw/zinc/35/94/78/165359478.db2.gz OPXSWTRNOVVZRG-OAHLLOKOSA-N 1 0 317.385 3.477 10 0 DGAERO O=C(c1sc2ccccc2c1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195316254 165365017 /nfs/dbraw/zinc/36/50/17/165365017.db2.gz WFCCDDQOQRQFEM-NSHDSACASA-N 1 0 320.845 3.475 10 0 DGAERO Cc1csc(C2CCN(Cc3nnc(C(C)C)n3C)CC2)n1 ZINC000195321984 165365893 /nfs/dbraw/zinc/36/58/93/165365893.db2.gz SVSFPXWCFMGIES-UHFFFAOYSA-N 1 0 319.478 3.083 10 0 DGAERO CCCc1noc(CN2CCC[C@H](c3nc(CC)cs3)C2)n1 ZINC000195377576 165369101 /nfs/dbraw/zinc/36/91/01/165369101.db2.gz YKUVSKCSZQKGSF-LBPRGKRZSA-N 1 0 320.462 3.421 10 0 DGAERO CC(C)c1nc([C@H]2CCCN2Cc2cn3ccccc3n2)no1 ZINC000195439029 165370188 /nfs/dbraw/zinc/37/01/88/165370188.db2.gz MZOHEZLMBLOIGE-CQSZACIVSA-N 1 0 311.389 3.178 10 0 DGAERO Fc1cc(C[NH2+]CCOCC2CC2)ccc1Br ZINC000217844271 165377960 /nfs/dbraw/zinc/37/79/60/165377960.db2.gz HKSVVLIJEQXQDB-UHFFFAOYSA-N 1 0 302.187 3.104 10 0 DGAERO CN1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000224570319 165381700 /nfs/dbraw/zinc/38/17/00/165381700.db2.gz OAXRRZIZZQFITG-NSHDSACASA-N 1 0 317.658 3.286 10 0 DGAERO c1nc2ccccc2n1-c1ccc(C[NH2+][C@@H]2CCCOC2)cc1 ZINC000236715468 165411539 /nfs/dbraw/zinc/41/15/39/165411539.db2.gz MKUSMSXQJOTWEC-MRXNPFEDSA-N 1 0 307.397 3.294 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@]3(CCSC3)C1)CC2 ZINC000246346383 165515770 /nfs/dbraw/zinc/51/57/70/165515770.db2.gz HGSUXCNISDLPKC-QGTPRVQTSA-N 1 0 319.470 3.327 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/SCc1ccco1 ZINC000246741727 165536735 /nfs/dbraw/zinc/53/67/35/165536735.db2.gz YPBCBVVLPLUHHM-AEOIHIIDSA-N 1 0 320.458 3.112 10 0 DGAERO Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1C ZINC000247514935 165588372 /nfs/dbraw/zinc/58/83/72/165588372.db2.gz VZXCNRWFDHOICD-DZGCQCFKSA-N 1 0 313.445 3.339 10 0 DGAERO CC(C)(C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1cccc(Cl)c1 ZINC000261760720 165745589 /nfs/dbraw/zinc/74/55/89/165745589.db2.gz FXNAEGMKGOLUFY-CQSZACIVSA-N 1 0 308.853 3.203 10 0 DGAERO CC1(C)CN(Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000261807905 165751156 /nfs/dbraw/zinc/75/11/56/165751156.db2.gz ZJPIDJVGRAKSOY-CYBMUJFWSA-N 1 0 304.331 3.404 10 0 DGAERO C[C@]1(C[NH3+])CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000261835270 165754233 /nfs/dbraw/zinc/75/42/33/165754233.db2.gz ILBDGKLQJKXRHE-HXUWFJFHSA-N 1 0 306.409 3.069 10 0 DGAERO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000261835267 165754402 /nfs/dbraw/zinc/75/44/02/165754402.db2.gz ILBDGKLQJKXRHE-FQEVSTJZSA-N 1 0 306.409 3.069 10 0 DGAERO Cc1ccc2c(CC(=O)N3CC[C@H](C)C[C@@H]3C[NH3+])coc2c1C ZINC000261914803 165765152 /nfs/dbraw/zinc/76/51/52/165765152.db2.gz YBTYPDWVYMXSQZ-BLLLJJGKSA-N 1 0 314.429 3.178 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)o1 ZINC000261963676 165771171 /nfs/dbraw/zinc/77/11/71/165771171.db2.gz LBUHXKCVTJKCKZ-XKSGDERDSA-N 1 0 316.445 3.092 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262062951 165781818 /nfs/dbraw/zinc/78/18/18/165781818.db2.gz RUWFNIPXUWRVGZ-GJZGRUSLSA-N 1 0 306.475 3.143 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000262186108 165792380 /nfs/dbraw/zinc/79/23/80/165792380.db2.gz LMNLNLMHQMYDMY-HUUCEWRRSA-N 1 0 308.425 3.386 10 0 DGAERO C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1ccc(Cl)cc1 ZINC000262271253 165795340 /nfs/dbraw/zinc/79/53/40/165795340.db2.gz VURPRKCTFLYADY-RVSPLBMKSA-N 1 0 306.837 3.297 10 0 DGAERO C[NH2+]CCc1ccccc1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000262326142 165798584 /nfs/dbraw/zinc/79/85/84/165798584.db2.gz RRRBCQWLFHSVMK-UHFFFAOYSA-N 1 0 316.832 3.374 10 0 DGAERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c(Cl)c1 ZINC000262421203 165802260 /nfs/dbraw/zinc/80/22/60/165802260.db2.gz DYZAXXBUHDBFTA-PZSREKOKSA-N 1 0 322.836 3.119 10 0 DGAERO C[C@H]1C[C@@H](C(=O)Nc2cc(C3CCCCCC3)[nH]n2)CC[NH2+]1 ZINC000262436667 165803318 /nfs/dbraw/zinc/80/33/18/165803318.db2.gz XLJJKAANYAAPQW-JSGCOSHPSA-N 1 0 304.438 3.174 10 0 DGAERO C[C@H]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000262583075 165811728 /nfs/dbraw/zinc/81/17/28/165811728.db2.gz ZGSYPLWMRRYSCB-GXFFZTMASA-N 1 0 315.339 3.297 10 0 DGAERO CCCCCc1nnc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)s1 ZINC000262640587 165814216 /nfs/dbraw/zinc/81/42/16/165814216.db2.gz HREGAFKFFLWOHT-XQQFMLRXSA-N 1 0 322.478 3.130 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000262920911 165824908 /nfs/dbraw/zinc/82/49/08/165824908.db2.gz ZIZHTUOOECMZQW-JSGCOSHPSA-N 1 0 306.475 3.135 10 0 DGAERO C[C@@H](c1cccc(F)c1)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000091980384 287143895 /nfs/dbraw/zinc/14/38/95/287143895.db2.gz SHNKXFJLPCTIKZ-YJBOKZPZSA-N 1 0 306.425 3.073 10 0 DGAERO Cc1cnc(-c2cccc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])c2)o1 ZINC000263194641 165843015 /nfs/dbraw/zinc/84/30/15/165843015.db2.gz IGSUOERLEMXNQG-CRAIPNDOSA-N 1 0 313.401 3.496 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000263209074 165844458 /nfs/dbraw/zinc/84/44/58/165844458.db2.gz KBGIBBRSORLUPG-KGLIPLIRSA-N 1 0 320.399 3.251 10 0 DGAERO C[C@@H]1CC(NC(=O)N2CCC([NH+]3CCCC3)CC2)C[C@@H](C)C1 ZINC000172515004 287224080 /nfs/dbraw/zinc/22/40/80/287224080.db2.gz FXHFJXOIPHTSQM-GJZGRUSLSA-N 1 0 307.482 3.081 10 0 DGAERO CCN(C(=O)N[C@@H]1CCC[N@H+](CC)C1)[C@@H](C)Cc1ccsc1 ZINC000190393254 432152058 /nfs/dbraw/zinc/15/20/58/432152058.db2.gz VEBBCOBFLZHTOJ-GOEBONIOSA-N 1 0 323.506 3.195 10 0 DGAERO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246661968 432152023 /nfs/dbraw/zinc/15/20/23/432152023.db2.gz WJOKXMSNAZGUHT-JJIJKTDDSA-N 1 0 319.493 3.364 10 0 DGAERO Cc1cc(N[C@@H](C)CO[C@@H]2CCOC2)c2cc(F)ccc2[nH+]1 ZINC000129372902 196042951 /nfs/dbraw/zinc/04/29/51/196042951.db2.gz AIDACRBRFPXGLG-GXTWGEPZSA-N 1 0 304.365 3.288 10 0 DGAERO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246657324 432152305 /nfs/dbraw/zinc/15/23/05/432152305.db2.gz CXBOHBXYOZWAMC-FUHWJXTLSA-N 1 0 321.486 3.448 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000246667269 432152697 /nfs/dbraw/zinc/15/26/97/432152697.db2.gz WUZJWNOBJXLWGV-BPQIPLTHSA-N 1 0 321.509 3.471 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129425372 196047382 /nfs/dbraw/zinc/04/73/82/196047382.db2.gz JRYIAXJAPYGRDR-SGMGOOAPSA-N 1 0 317.351 3.439 10 0 DGAERO C[C@@H]1CSCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000190460827 432159579 /nfs/dbraw/zinc/15/95/79/432159579.db2.gz DCRCIOOHLJJOGN-ZDUSSCGKSA-N 1 0 305.422 3.196 10 0 DGAERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)cc1F ZINC000246684862 432153147 /nfs/dbraw/zinc/15/31/47/432153147.db2.gz ZGLCNENAJAJUAX-RYUDHWBXSA-N 1 0 312.816 3.342 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C)c(CC)c2)C1 ZINC000181978663 432153329 /nfs/dbraw/zinc/15/33/29/432153329.db2.gz HKCOQEGNSVCDEX-OAHLLOKOSA-N 1 0 303.450 3.411 10 0 DGAERO C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CCCOC1 ZINC000171639673 432154926 /nfs/dbraw/zinc/15/49/26/432154926.db2.gz STOIWAYHSOOVDI-JTQLQIEISA-N 1 0 304.253 3.369 10 0 DGAERO C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639101 432155119 /nfs/dbraw/zinc/15/51/19/432155119.db2.gz QBUBPGBIEATIBT-QWHCGFSZSA-N 1 0 320.387 3.272 10 0 DGAERO CCc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1C ZINC000182002595 432155255 /nfs/dbraw/zinc/15/52/55/432155255.db2.gz GBEMZXDQLANDCX-QGZVFWFLSA-N 1 0 301.434 3.259 10 0 DGAERO CCc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)o1 ZINC000182061871 432156151 /nfs/dbraw/zinc/15/61/51/432156151.db2.gz MPZCHFWHQUGOPU-HNNXBMFYSA-N 1 0 314.429 3.401 10 0 DGAERO C[C@@H](C[NH2+][C@H]1CCCN(c2cccnc2)C1=O)Cc1ccccc1 ZINC000182079167 432156547 /nfs/dbraw/zinc/15/65/47/432156547.db2.gz VLXAJUBXHXQJKM-APWZRJJASA-N 1 0 323.440 3.045 10 0 DGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1c[nH]nc1C ZINC000190441909 432157265 /nfs/dbraw/zinc/15/72/65/432157265.db2.gz WNSDVNMQCYPVGU-SNVBAGLBSA-N 1 0 324.222 3.340 10 0 DGAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182083618 432159256 /nfs/dbraw/zinc/15/92/56/432159256.db2.gz LPWZJAFDKQXNKF-ZHALLVOQSA-N 1 0 313.372 3.287 10 0 DGAERO CCC1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000137148265 432171443 /nfs/dbraw/zinc/17/14/43/432171443.db2.gz SCYCUUUEDLBHPM-MYBQVCMBSA-N 1 0 307.482 3.081 10 0 DGAERO COC(CN1C[C@@H](c2ccccc2Cl)OCC1(C)C)OC ZINC000136765075 432162316 /nfs/dbraw/zinc/16/23/16/432162316.db2.gz NQWGFFKIYAZUGX-AWEZNQCLSA-N 1 0 313.825 3.111 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1CCCc2ccccc21 ZINC000246782331 432164457 /nfs/dbraw/zinc/16/44/57/432164457.db2.gz BFILLKWMLRMSNH-KBAYOESNSA-N 1 0 312.457 3.192 10 0 DGAERO COc1ccc([C@@H]2CC[N@H+](C[C@H](O)CC3CCCC3)C2)cc1 ZINC000190495098 432164686 /nfs/dbraw/zinc/16/46/86/432164686.db2.gz UPRSACZSYBMGCY-QZTJIDSGSA-N 1 0 303.446 3.426 10 0 DGAERO Cn1nc(-c2ccccc2)c(C[N@@H+]2CCC[C@](C)(O)C2)c1Cl ZINC000129563650 196058062 /nfs/dbraw/zinc/05/80/62/196058062.db2.gz JWUKCIQZDGYNNT-KRWDZBQOSA-N 1 0 319.836 3.087 10 0 DGAERO c1ccc2c(c1)C=C(C[NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)CO2 ZINC000246793155 432166409 /nfs/dbraw/zinc/16/64/09/432166409.db2.gz PLUHHTDMYQGHLP-BHIYHBOVSA-N 1 0 311.425 3.400 10 0 DGAERO CCCCC[C@H](C)CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246793365 432167255 /nfs/dbraw/zinc/16/72/55/432167255.db2.gz JMLNYWJZDWXPER-IRXDYDNUSA-N 1 0 324.509 3.305 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000137029811 432168180 /nfs/dbraw/zinc/16/81/80/432168180.db2.gz IGMAIELAXWWKRT-INIZCTEOSA-N 1 0 304.434 3.133 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000246834051 432169467 /nfs/dbraw/zinc/16/94/67/432169467.db2.gz CONPCYWDFMSLIP-PMPSAXMXSA-N 1 0 319.449 3.247 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)on1 ZINC000246832260 432169605 /nfs/dbraw/zinc/16/96/05/432169605.db2.gz ODZRPXGKLFFGNC-NVXWUHKLSA-N 1 0 304.365 3.210 10 0 DGAERO CSc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000246882600 432176985 /nfs/dbraw/zinc/17/69/85/432176985.db2.gz CWXDNJMIQDUAGH-JSGCOSHPSA-N 1 0 305.447 3.109 10 0 DGAERO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246870253 432177006 /nfs/dbraw/zinc/17/70/06/432177006.db2.gz NYUBXWONVJXXPF-RKVPGOIHSA-N 1 0 318.436 3.090 10 0 DGAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000171900594 432181726 /nfs/dbraw/zinc/18/17/26/432181726.db2.gz SAVSIXAGMPGVDB-CVEARBPZSA-N 1 0 321.852 3.281 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246857227 432174794 /nfs/dbraw/zinc/17/47/94/432174794.db2.gz BUARILSOBNRFQV-HOCLYGCPSA-N 1 0 324.465 3.063 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(s1)CCCC2 ZINC000246955285 432185039 /nfs/dbraw/zinc/18/50/39/432185039.db2.gz MGIWNVUKCGLUOY-GJZGRUSLSA-N 1 0 318.486 3.326 10 0 DGAERO CC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccc(C)cc1 ZINC000246982286 432186773 /nfs/dbraw/zinc/18/67/73/432186773.db2.gz DYBPVERDHDZCBT-NXHRZFHOSA-N 1 0 315.461 3.324 10 0 DGAERO CCC[C@H](C)C(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246969811 432187133 /nfs/dbraw/zinc/18/71/33/432187133.db2.gz PYGDUEBUWOOJFZ-SOUVJXGZSA-N 1 0 324.490 3.062 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000246970995 432187210 /nfs/dbraw/zinc/18/72/10/432187210.db2.gz JEAXBQVORTXHTD-HUUCEWRRSA-N 1 0 306.450 3.147 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cccnc1 ZINC000171979806 432188394 /nfs/dbraw/zinc/18/83/94/432188394.db2.gz KMQJMKGCWKLPLG-MRXNPFEDSA-N 1 0 319.408 3.142 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1cccs1 ZINC000246940752 432182954 /nfs/dbraw/zinc/18/29/54/432182954.db2.gz KSSFKDSVUCLXCF-CABCVRRESA-N 1 0 306.475 3.156 10 0 DGAERO CC(C)(C)C1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000172114260 432198459 /nfs/dbraw/zinc/19/84/59/432198459.db2.gz JGVNFLCHXAXVCS-UHFFFAOYSA-N 1 0 321.509 3.329 10 0 DGAERO C[C@H](CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc(F)c1 ZINC000247054785 432198463 /nfs/dbraw/zinc/19/84/63/432198463.db2.gz BBPUQXYSOORNJH-PBHICJAKSA-N 1 0 304.409 3.016 10 0 DGAERO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccccc1 ZINC000190899012 432198563 /nfs/dbraw/zinc/19/85/63/432198563.db2.gz IXJTZYTZLJHUCH-ZTFGCOKTSA-N 1 0 319.445 3.068 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(-c2ccco2)n1 ZINC000247081253 432199741 /nfs/dbraw/zinc/19/97/41/432199741.db2.gz HVAGRYPWIIICIY-JSGCOSHPSA-N 1 0 303.431 3.072 10 0 DGAERO CCCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000247031756 432193372 /nfs/dbraw/zinc/19/33/72/432193372.db2.gz DUYOYOFAFCPJDP-QZTJIDSGSA-N 1 0 321.461 3.016 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000247034622 432194031 /nfs/dbraw/zinc/19/40/31/432194031.db2.gz YNYKDKGMSBRHFO-IAGOWNOFSA-N 1 0 304.365 3.210 10 0 DGAERO C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1CCCC1 ZINC000172077039 432195069 /nfs/dbraw/zinc/19/50/69/432195069.db2.gz KUXGCHBPJMGZHS-ZDUSSCGKSA-N 1 0 321.440 3.265 10 0 DGAERO CCc1nnc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)o1 ZINC000247067940 432197342 /nfs/dbraw/zinc/19/73/42/432197342.db2.gz MLTADZHGGJOIJD-OCCSQVGLSA-N 1 0 301.390 3.019 10 0 DGAERO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCCC1 ZINC000172178442 432202189 /nfs/dbraw/zinc/20/21/89/432202189.db2.gz ZMGQKMQUJRLEJY-GOEBONIOSA-N 1 0 319.449 3.294 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@@H+]([C@@H](C)c3nnc(C)o3)C2)cc1 ZINC000247084351 432200748 /nfs/dbraw/zinc/20/07/48/432200748.db2.gz NNSFQTKPRMZQGT-TYNCELHUSA-N 1 0 301.390 3.326 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000130566451 196091300 /nfs/dbraw/zinc/09/13/00/196091300.db2.gz BCQWGIWKYNQSFV-DZGCQCFKSA-N 1 0 318.442 3.161 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000130566233 196091797 /nfs/dbraw/zinc/09/17/97/196091797.db2.gz BCQWGIWKYNQSFV-UKRRQHHQSA-N 1 0 318.442 3.161 10 0 DGAERO CCc1cc(C)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)o1 ZINC000130842333 196114900 /nfs/dbraw/zinc/11/49/00/196114900.db2.gz VPSOHWQIQPQPIF-INIZCTEOSA-N 1 0 318.392 3.322 10 0 DGAERO COc1cc(C[N@H+](C)[C@H](C)c2ccco2)cc2c1OCCO2 ZINC000131060916 196137043 /nfs/dbraw/zinc/13/70/43/196137043.db2.gz JIPUKQBYEXLJQK-GFCCVEGCSA-N 1 0 303.358 3.252 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000131169506 196146588 /nfs/dbraw/zinc/14/65/88/196146588.db2.gz LJZXSRQHQGESKD-HOTGVXAUSA-N 1 0 303.450 3.372 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2cccc(F)c2)n1 ZINC000247177997 432209043 /nfs/dbraw/zinc/20/90/43/432209043.db2.gz KXAVOVSDSUVYLG-DYVFJYSZSA-N 1 0 315.392 3.149 10 0 DGAERO Fc1ccc2oc(CN3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000151011157 432211158 /nfs/dbraw/zinc/21/11/58/432211158.db2.gz YOHNJCQSIYOPIH-UHFFFAOYSA-N 1 0 317.408 3.275 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000151040749 432213310 /nfs/dbraw/zinc/21/33/10/432213310.db2.gz VFMCTKMAWQWVQR-UAGQMJEPSA-N 1 0 321.461 3.049 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC[N@@H+]1C ZINC000247241941 432215753 /nfs/dbraw/zinc/21/57/53/432215753.db2.gz DIUPHFRQJFUIIY-VDNDLQMASA-N 1 0 320.864 3.385 10 0 DGAERO COc1ccccc1CCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000182564559 432204627 /nfs/dbraw/zinc/20/46/27/432204627.db2.gz SHHZDBAENLQDSF-MJGOQNOKSA-N 1 0 303.446 3.255 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1SC ZINC000247127986 432205052 /nfs/dbraw/zinc/20/50/52/432205052.db2.gz SCTBDCKMMAMGDM-KGLIPLIRSA-N 1 0 319.474 3.499 10 0 DGAERO CCO[C@H](C)c1nc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000247134804 432205260 /nfs/dbraw/zinc/20/52/60/432205260.db2.gz ZNIUMUJFCBJGKQ-GZBFAFLISA-N 1 0 311.495 3.155 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccc(C)cc2)[C@@H](C)C1 ZINC000247349380 432224708 /nfs/dbraw/zinc/22/47/08/432224708.db2.gz JOUALZGJNBBSTH-RDJZCZTQSA-N 1 0 320.502 3.276 10 0 DGAERO CN(C(=O)c1ccccc1Cc1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC000151159776 432225314 /nfs/dbraw/zinc/22/53/14/432225314.db2.gz XORMEAJTDAKIAF-IBGZPJMESA-N 1 0 322.452 3.444 10 0 DGAERO CCCOc1ccc(OCC[NH+]2[C@H](C)CC(O)C[C@H]2C)cc1 ZINC000191148778 432227498 /nfs/dbraw/zinc/22/74/98/432227498.db2.gz FQQYVRKPCUYPQR-HUUCEWRRSA-N 1 0 307.434 3.088 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000247399078 432228132 /nfs/dbraw/zinc/22/81/32/432228132.db2.gz PGRZYTSSBCOHHA-RYUDHWBXSA-N 1 0 324.877 3.371 10 0 DGAERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000247282467 432218090 /nfs/dbraw/zinc/21/80/90/432218090.db2.gz FYYRBZPDBBLJRR-GJZGRUSLSA-N 1 0 311.429 3.098 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247288557 432218479 /nfs/dbraw/zinc/21/84/79/432218479.db2.gz GSPVAWVXBSGEKQ-TZMCWYRMSA-N 1 0 307.825 3.349 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247290702 432219103 /nfs/dbraw/zinc/21/91/03/432219103.db2.gz GZULBYKRJSDUFY-GJZGRUSLSA-N 1 0 317.433 3.174 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247294896 432220598 /nfs/dbraw/zinc/22/05/98/432220598.db2.gz LAMQKYKRRZKMPA-OIISXLGYSA-N 1 0 320.502 3.402 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(C(C)C)s2)[C@H](C)C1 ZINC000151128372 432220983 /nfs/dbraw/zinc/22/09/83/432220983.db2.gz OAZNMOQAFYZNRW-OLZOCXBDSA-N 1 0 309.479 3.069 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1F ZINC000247321917 432221311 /nfs/dbraw/zinc/22/13/11/432221311.db2.gz LFUKXEVZXIWFRB-PWSUYJOCSA-N 1 0 311.788 3.180 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1ccccc1Cl ZINC000247316165 432221977 /nfs/dbraw/zinc/22/19/77/432221977.db2.gz OJNHJWDEMGAXKG-STQMWFEESA-N 1 0 324.877 3.127 10 0 DGAERO CCCN(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247316439 432221999 /nfs/dbraw/zinc/22/19/99/432221999.db2.gz HUPSASAKHSNXCH-MAUKXSAKSA-N 1 0 317.477 3.088 10 0 DGAERO Cc1ncccc1C[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000191107386 432222210 /nfs/dbraw/zinc/22/22/10/432222210.db2.gz RIFBRNATFVWJPS-UHFFFAOYSA-N 1 0 315.848 3.191 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000247322146 432222252 /nfs/dbraw/zinc/22/22/52/432222252.db2.gz ORWKUGPDIJODHD-BBRMVZONSA-N 1 0 318.848 3.067 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247310288 432222374 /nfs/dbraw/zinc/22/23/74/432222374.db2.gz LWUIAWVLXYHYRY-XJKSGUPXSA-N 1 0 323.868 3.210 10 0 DGAERO C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1n1ccnc1 ZINC000247332408 432222928 /nfs/dbraw/zinc/22/29/28/432222928.db2.gz GLBHAGKIGRILNV-VQIMIIECSA-N 1 0 321.428 3.152 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000172613025 432223220 /nfs/dbraw/zinc/22/32/20/432223220.db2.gz GSUKZSCRJFCQGG-KRWDZBQOSA-N 1 0 310.397 3.002 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000247336908 432223242 /nfs/dbraw/zinc/22/32/42/432223242.db2.gz ZLJZZSHTNUKLLQ-ZFWWWQNUSA-N 1 0 308.491 3.320 10 0 DGAERO Cc1cccc2c(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c[nH]c21 ZINC000132019246 196219849 /nfs/dbraw/zinc/21/98/49/196219849.db2.gz OASYYKHNKAWBRT-MRXNPFEDSA-N 1 0 315.461 3.111 10 0 DGAERO CCc1ccc(C[NH2+]C[C@H]2CCN(c3cccc(OC)c3)C2)o1 ZINC000132163085 196231527 /nfs/dbraw/zinc/23/15/27/196231527.db2.gz YDMSTTKWEUPUGT-OAHLLOKOSA-N 1 0 314.429 3.467 10 0 DGAERO c1c2ccccc2sc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000132215698 196235976 /nfs/dbraw/zinc/23/59/76/196235976.db2.gz RDWHTDJUAZBVRF-HNNXBMFYSA-N 1 0 324.453 3.450 10 0 DGAERO Cc1cc(Cl)ncc1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000132551688 196265110 /nfs/dbraw/zinc/26/51/10/196265110.db2.gz XICGDIRIPBOZHG-LBPRGKRZSA-N 1 0 310.829 3.039 10 0 DGAERO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H](C)CS(C)(=O)=O)c1 ZINC000133747337 196333928 /nfs/dbraw/zinc/33/39/28/196333928.db2.gz IOKCGCRXIAGOFK-PBHICJAKSA-N 1 0 309.475 3.121 10 0 DGAERO CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)s1 ZINC000134134505 196364595 /nfs/dbraw/zinc/36/45/95/196364595.db2.gz QXYCZAQVNBYEJH-GFCCVEGCSA-N 1 0 323.506 3.312 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000134239066 196372494 /nfs/dbraw/zinc/37/24/94/196372494.db2.gz NRPBWGWPXXMKST-UFBFGSQYSA-N 1 0 304.615 3.370 10 0 DGAERO Cc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)ccc1Cl ZINC000134529627 196399300 /nfs/dbraw/zinc/39/93/00/196399300.db2.gz IVVYYMPIGOBROI-UHFFFAOYSA-N 1 0 300.789 3.182 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000152344301 227071314 /nfs/dbraw/zinc/07/13/14/227071314.db2.gz YZJSSJDNDIMATH-SMDDNHRTSA-N 1 0 316.214 3.229 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCCn2nc(C)cc2C)ccc1F ZINC000152598235 227073973 /nfs/dbraw/zinc/07/39/73/227073973.db2.gz GLLXKEJDISLZNL-AWEZNQCLSA-N 1 0 305.397 3.389 10 0 DGAERO C[C@H](CCSc1ccccc1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000153048577 227080155 /nfs/dbraw/zinc/08/01/55/227080155.db2.gz XHKBHFILYOWWKL-CQSZACIVSA-N 1 0 308.491 3.404 10 0 DGAERO C[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)N(C)C1CC1 ZINC000158024758 228235517 /nfs/dbraw/zinc/23/55/17/228235517.db2.gz QDWDSULUMBTKJC-SNVBAGLBSA-N 1 0 315.230 3.161 10 0 DGAERO C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000172171153 228274914 /nfs/dbraw/zinc/27/49/14/228274914.db2.gz SEWBHWWFSJLJLJ-PMPSAXMXSA-N 1 0 302.462 3.463 10 0 DGAERO O[C@H](Cc1ccccc1)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000173577908 228282210 /nfs/dbraw/zinc/28/22/10/228282210.db2.gz BQYJRUMUEFXBOV-MOPGFXCFSA-N 1 0 303.446 3.014 10 0 DGAERO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCC1(C)CCC1 ZINC000174996613 228295915 /nfs/dbraw/zinc/29/59/15/228295915.db2.gz LGXLPPGCUAQDEU-UHFFFAOYSA-N 1 0 321.440 3.089 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2)cc1F ZINC000181369423 228361741 /nfs/dbraw/zinc/36/17/41/228361741.db2.gz VVPULBZGNNZVGJ-CYBMUJFWSA-N 1 0 318.367 3.240 10 0 DGAERO c1c(N2CC[NH+](CCCc3ccccc3)CC2)n[nH]c1C1CC1 ZINC000189711011 228490797 /nfs/dbraw/zinc/49/07/97/228490797.db2.gz VCZOQIQTZRPLFQ-UHFFFAOYSA-N 1 0 310.445 3.042 10 0 DGAERO Cc1cccc2c(NCCCOC[C@H]3CCOC3)cc[nH+]c12 ZINC000301697778 229835379 /nfs/dbraw/zinc/83/53/79/229835379.db2.gz ZSXIIZCDXHWUSX-OAHLLOKOSA-N 1 0 300.402 3.398 10 0 DGAERO Cc1nsc(N(CC[NH+](C)C)Cc2ccc(Cl)cc2)n1 ZINC000301954343 230002174 /nfs/dbraw/zinc/00/21/74/230002174.db2.gz KMLCBNHMQLLZFD-UHFFFAOYSA-N 1 0 310.854 3.068 10 0 DGAERO Cc1cc(N2CC[C@H](C)[C@@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301961185 230005705 /nfs/dbraw/zinc/00/57/05/230005705.db2.gz RFCGITAQJBJAEP-QFYYESIMSA-N 1 0 322.355 3.352 10 0 DGAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCN2CCO[C@H](C)C2)o1 ZINC000192745855 263784789 /nfs/dbraw/zinc/78/47/89/263784789.db2.gz RUYZFQRFMQOBSU-WBVHZDCISA-N 1 0 306.450 3.090 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000194809371 263821289 /nfs/dbraw/zinc/82/12/89/263821289.db2.gz VHRNCKSTWJLKDB-UONOGXRCSA-N 1 0 322.449 3.001 10 0 DGAERO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000347331292 264197808 /nfs/dbraw/zinc/19/78/08/264197808.db2.gz GKKSHTZUHSJROY-NEPXVJNWSA-N 1 0 302.462 3.054 10 0 DGAERO C(=C\c1ccccc1)\CN1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347386025 264211767 /nfs/dbraw/zinc/21/17/67/264211767.db2.gz AJFLGVJTFCCDGV-NSDNCLLMSA-N 1 0 314.473 3.277 10 0 DGAERO CC(=O)c1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)c(F)c1 ZINC000347395666 264214160 /nfs/dbraw/zinc/21/41/60/264214160.db2.gz HJXVOBZPXBSPIL-UHFFFAOYSA-N 1 0 320.408 3.023 10 0 DGAERO CC(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC000347457700 264224185 /nfs/dbraw/zinc/22/41/85/264224185.db2.gz QARNOYLYFVTWTG-KRWDZBQOSA-N 1 0 308.853 3.419 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000352892399 265217621 /nfs/dbraw/zinc/21/76/21/265217621.db2.gz KNNYWPPVJOBRPA-ZDUSSCGKSA-N 1 0 304.203 3.085 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+]Cc1cnn2ccccc12 ZINC000353037137 265275200 /nfs/dbraw/zinc/27/52/00/265275200.db2.gz ITLTUBUGPJLRKL-UHFFFAOYSA-N 1 0 321.409 3.143 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCC1(O)CCOCC1 ZINC000353054192 265281413 /nfs/dbraw/zinc/28/14/13/265281413.db2.gz PKJJFQCFSLIGMY-OWBHPGMISA-N 1 0 309.837 3.265 10 0 DGAERO c1cn2cc(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)nc2s1 ZINC000353339574 265395122 /nfs/dbraw/zinc/39/51/22/265395122.db2.gz UGKQYFRQZCSMBI-AEGPPILISA-N 1 0 305.447 3.081 10 0 DGAERO Fc1ccc(-c2csc(N3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000247467837 432231130 /nfs/dbraw/zinc/23/11/30/432231130.db2.gz UYTLEFYXGPYWJK-AWEZNQCLSA-N 1 0 303.406 3.234 10 0 DGAERO Cc1c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cnn1C(C)(C)C ZINC000191196045 432231926 /nfs/dbraw/zinc/23/19/26/432231926.db2.gz UXTQAOMXHINMCR-YVEFUNNKSA-N 1 0 319.424 3.470 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000191187552 432231943 /nfs/dbraw/zinc/23/19/43/432231943.db2.gz AHXPTMWAFLCHOH-GHMZBOCLSA-N 1 0 322.355 3.354 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356235399 266327423 /nfs/dbraw/zinc/32/74/23/266327423.db2.gz STFNTPKFXDCQGL-RDJZCZTQSA-N 1 0 318.461 3.189 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000191192548 432232472 /nfs/dbraw/zinc/23/24/72/432232472.db2.gz HGWPQJYFGUVIOV-VXGBXAGGSA-N 1 0 304.365 3.214 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000247466769 432232689 /nfs/dbraw/zinc/23/26/89/432232689.db2.gz RNXBRAPDWCLDCQ-VHDGCEQUSA-N 1 0 322.399 3.059 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CSc3ccccc32)[C@@H](C)C1 ZINC000247490388 432236752 /nfs/dbraw/zinc/23/67/52/432236752.db2.gz UFMJAOJAQIJHQI-BPUTZDHNSA-N 1 0 318.486 3.065 10 0 DGAERO CCC[NH+]1CCC(N(C)Cc2nc3cc(F)ccc3o2)CC1 ZINC000151332927 432237610 /nfs/dbraw/zinc/23/76/10/432237610.db2.gz PALFVNKJRSOJTO-UHFFFAOYSA-N 1 0 305.397 3.273 10 0 DGAERO O=C1O[C@@H](C[N@@H+]2CCC[C@@H]2c2ccco2)CN1c1ccccc1 ZINC000172822577 432238638 /nfs/dbraw/zinc/23/86/38/432238638.db2.gz UKEPMZOGUZHURG-JKSUJKDBSA-N 1 0 312.369 3.442 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247535775 432240582 /nfs/dbraw/zinc/24/05/82/432240582.db2.gz XQWHWUDCZVQTRK-UXLLHSPISA-N 1 0 320.502 3.498 10 0 DGAERO CC(C)C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000247654703 432244876 /nfs/dbraw/zinc/24/48/76/432244876.db2.gz XWZFPDDPIGHENL-ZWKOTPCHSA-N 1 0 315.461 3.263 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1ccnc1)CC2 ZINC000151494891 432250212 /nfs/dbraw/zinc/25/02/12/432250212.db2.gz AWDVHFDPIDMOCT-GOSISDBHSA-N 1 0 320.396 3.053 10 0 DGAERO CCOC(=O)c1cnccc1N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000359868589 271004711 /nfs/dbraw/zinc/00/47/11/271004711.db2.gz DRKNVIPQNPFILG-ONGXEEELSA-N 1 0 302.296 3.035 10 0 DGAERO c1ccc(COc2cccc(C[NH2+]C[C@@H]3[C@H]4COC[C@H]43)c2)cc1 ZINC000367577776 271046165 /nfs/dbraw/zinc/04/61/65/271046165.db2.gz UOJWJAZMSUNDQV-OWZKRDHZSA-N 1 0 309.409 3.248 10 0 DGAERO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000367660811 271060842 /nfs/dbraw/zinc/06/08/42/271060842.db2.gz JFIWSRSYVSXZJF-GFCCVEGCSA-N 1 0 303.324 3.239 10 0 DGAERO O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000367932542 271100334 /nfs/dbraw/zinc/10/03/34/271100334.db2.gz QIQQLPPAKOXWLG-IBGZPJMESA-N 1 0 320.392 3.380 10 0 DGAERO c1c(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)nc2ccccn12 ZINC000367970769 271106074 /nfs/dbraw/zinc/10/60/74/271106074.db2.gz RTXKJEZSSOQYCM-QZTJIDSGSA-N 1 0 307.397 3.344 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc2c1OCO2 ZINC000368466564 271162431 /nfs/dbraw/zinc/16/24/31/271162431.db2.gz QVDBHVCVPWDSME-BZUAXINKSA-N 1 0 303.402 3.100 10 0 DGAERO c1cn(C2CCCC2)nc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368652193 271187733 /nfs/dbraw/zinc/18/77/33/271187733.db2.gz YNCSYMYBEHBUFQ-KRWDZBQOSA-N 1 0 310.445 3.458 10 0 DGAERO c1cc2ncnc(N3CCC(C[NH+]4CCCC4)CC3)c2s1 ZINC000368750384 271202898 /nfs/dbraw/zinc/20/28/98/271202898.db2.gz APVYAMXHQBRNDY-UHFFFAOYSA-N 1 0 302.447 3.004 10 0 DGAERO C/C(=C\c1ccc(C)cc1)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000370343411 271355793 /nfs/dbraw/zinc/35/57/93/271355793.db2.gz OKXVBYOCCMLICW-BMRADRMJSA-N 1 0 312.457 3.485 10 0 DGAERO Cc1nccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000370561529 271369564 /nfs/dbraw/zinc/36/95/64/271369564.db2.gz MNOBFMNMGIBHMX-DLBZAZTESA-N 1 0 315.417 3.246 10 0 DGAERO C[N@H+](Cc1ccc(Br)o1)[C@H]1Cc2ccccc2[C@H]1O ZINC000247879095 432252307 /nfs/dbraw/zinc/25/23/07/432252307.db2.gz ZLSZMAGSQPJDMV-DZGCQCFKSA-N 1 0 322.202 3.132 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000270504566 432252542 /nfs/dbraw/zinc/25/25/42/432252542.db2.gz OBPQDGCTKBNOFL-QXCFHYIPSA-N 1 0 312.457 3.060 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[NH+](C(C)C)C(C)C)cc1 ZINC000183064503 432254721 /nfs/dbraw/zinc/25/47/21/432254721.db2.gz OUJUBJXDQGTMQO-GOSISDBHSA-N 1 0 318.461 3.478 10 0 DGAERO CCc1ccc(-c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)o2)cc1 ZINC000173045847 432254823 /nfs/dbraw/zinc/25/48/23/432254823.db2.gz XGTQSAVQQJVUHN-MRXNPFEDSA-N 1 0 312.413 3.285 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247915472 432254858 /nfs/dbraw/zinc/25/48/58/432254858.db2.gz AWUTUWSNWAOHPV-UXPWSPDFSA-N 1 0 322.452 3.427 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1OC ZINC000247957036 432256472 /nfs/dbraw/zinc/25/64/72/432256472.db2.gz FQVYEVTYYNZVQS-QIZIZJAASA-N 1 0 319.445 3.476 10 0 DGAERO CC1(C)SC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000338475571 273592368 /nfs/dbraw/zinc/59/23/68/273592368.db2.gz AABPCLGHVXIGIL-ZDUSSCGKSA-N 1 0 313.850 3.485 10 0 DGAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1F ZINC000247962205 432257271 /nfs/dbraw/zinc/25/72/71/432257271.db2.gz CZRHQZZQSDGOIR-MSOLQXFVSA-N 1 0 312.388 3.309 10 0 DGAERO Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000247986289 432258200 /nfs/dbraw/zinc/25/82/00/432258200.db2.gz IHWXWIALKYLMBZ-ICSRJNTNSA-N 1 0 308.425 3.099 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@H]2CCCc3ccccc32)CCOCC1 ZINC000453081718 274015510 /nfs/dbraw/zinc/01/55/10/274015510.db2.gz UQJKXGJDCZUHSY-DOTOQJQBSA-N 1 0 303.446 3.280 10 0 DGAERO COC1CC([NH2+][C@H]2CCOc3ccc(Br)cc32)C1 ZINC000230675484 274016266 /nfs/dbraw/zinc/01/62/66/274016266.db2.gz STXOALYHHQGWGC-XIVSLSHWSA-N 1 0 312.207 3.040 10 0 DGAERO C[C@@H](C(=O)N[C@@H]1CCCc2c(O)cccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000190224511 274200431 /nfs/dbraw/zinc/20/04/31/274200431.db2.gz VKIDAKORWZFPPC-QDEZUTFSSA-N 1 0 316.445 3.147 10 0 DGAERO C[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)[C@H]1C[NH3+] ZINC000261975727 274291487 /nfs/dbraw/zinc/29/14/87/274291487.db2.gz QQJZCYUGAUNZIG-WBMJQRKESA-N 1 0 303.381 3.040 10 0 DGAERO CCC(C)(CC)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247986299 432258860 /nfs/dbraw/zinc/25/88/60/432258860.db2.gz IICVTXDUBWUQQE-HOTGVXAUSA-N 1 0 303.450 3.310 10 0 DGAERO Cc1c(C[NH3+])oc2c1c(C)ccc2I ZINC000098095796 274660609 /nfs/dbraw/zinc/66/06/09/274660609.db2.gz YZKHJLLMGUNCMD-UHFFFAOYSA-N 1 0 301.127 3.113 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)CC3 ZINC000180731271 274766572 /nfs/dbraw/zinc/76/65/72/274766572.db2.gz HXBJUPFLYJRQAM-SCLBCKFNSA-N 1 0 321.428 3.050 10 0 DGAERO c1cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)n(-c2ccccc2)n1 ZINC000448346582 275064322 /nfs/dbraw/zinc/06/43/22/275064322.db2.gz ZFSVQFYBARNYME-LJQANCHMSA-N 1 0 324.472 3.323 10 0 DGAERO c1ccc2nc(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cnc2c1 ZINC000246327646 275072135 /nfs/dbraw/zinc/07/21/35/275072135.db2.gz KWPLNFRXQVEPKE-KSSFIOAISA-N 1 0 308.429 3.083 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1)CCO2 ZINC000037232120 275372352 /nfs/dbraw/zinc/37/23/52/275372352.db2.gz AVAJWPHSPNLQQR-CQSZACIVSA-N 1 0 319.202 3.458 10 0 DGAERO Brc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCOC1 ZINC000268838895 275375174 /nfs/dbraw/zinc/37/51/74/275375174.db2.gz CDWOKPFRKBIZTK-GXFFZTMASA-N 1 0 312.207 3.041 10 0 DGAERO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccncc1 ZINC000282181754 275375185 /nfs/dbraw/zinc/37/51/85/275375185.db2.gz ZLRWBKGOSORVEE-AWEZNQCLSA-N 1 0 319.202 3.458 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@]1(CCO)CCOC1 ZINC000119594217 275398338 /nfs/dbraw/zinc/39/83/38/275398338.db2.gz PPFHYBFMEPHGGG-QXSWTLKVSA-N 1 0 309.837 3.122 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000157152250 275399579 /nfs/dbraw/zinc/39/95/79/275399579.db2.gz UGNISEYHMMBNAI-DIOBLVDRSA-N 1 0 316.420 3.172 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1Oc1ccccc1 ZINC000450671169 275499958 /nfs/dbraw/zinc/49/99/58/275499958.db2.gz YFCPIAUOPFMDCN-KUHUBIRLSA-N 1 0 313.397 3.470 10 0 DGAERO CC[NH+]1CCC(NC(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000515362329 429376856 /nfs/dbraw/zinc/37/68/56/429376856.db2.gz MBYJKPVVHHNKJA-UHFFFAOYSA-N 1 0 320.437 3.112 10 0 DGAERO CC1(C)CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000153876684 275831466 /nfs/dbraw/zinc/83/14/66/275831466.db2.gz UWFKWJQEPGFMKV-KEYYUXOJSA-N 1 0 300.446 3.433 10 0 DGAERO CC(C)(C)n1cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000092785887 275854378 /nfs/dbraw/zinc/85/43/78/275854378.db2.gz JWKRICMITXHCCY-KRWDZBQOSA-N 1 0 304.482 3.088 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2ccc(C)cc2C)C1 ZINC000473516219 276010030 /nfs/dbraw/zinc/01/00/30/276010030.db2.gz AGAPBAOMHXJMRZ-HKUYNNGSSA-N 1 0 314.473 3.494 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000079982250 276115940 /nfs/dbraw/zinc/11/59/40/276115940.db2.gz LTPLDKAMLJVWRX-KGLIPLIRSA-N 1 0 309.429 3.258 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000126566939 276117220 /nfs/dbraw/zinc/11/72/20/276117220.db2.gz NHQSOMMKVDAGFU-CYBMUJFWSA-N 1 0 302.422 3.328 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1SCCc2sccc21 ZINC000176973378 276169328 /nfs/dbraw/zinc/16/93/28/276169328.db2.gz QKCWXDDYYBUEPY-DOMZBBRYSA-N 1 0 324.515 3.021 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000076485007 276222311 /nfs/dbraw/zinc/22/23/11/276222311.db2.gz RKTTZJRUFJCBHT-PBHICJAKSA-N 1 0 322.880 3.461 10 0 DGAERO CCC[C@H](C(=O)N[C@@H](C)c1cccc(OC(F)F)c1)[NH+](C)C ZINC000161591848 276282027 /nfs/dbraw/zinc/28/20/27/276282027.db2.gz CYVXHAQCROGWDI-SMDDNHRTSA-N 1 0 314.376 3.196 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCSc2ccccc21 ZINC000047869063 276339442 /nfs/dbraw/zinc/33/94/42/276339442.db2.gz MRRIJZGVMNKJHD-HIFRSBDPSA-N 1 0 321.490 3.253 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)N(C)C1CCC1)c1ccccc1 ZINC000173413742 276339886 /nfs/dbraw/zinc/33/98/86/276339886.db2.gz WZHIDIGBVVEYGB-QGZVFWFLSA-N 1 0 303.450 3.263 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2OC)cs1 ZINC000236920919 276560328 /nfs/dbraw/zinc/56/03/28/276560328.db2.gz FBQXSGHQIUBMHT-IINYFYTJSA-N 1 0 319.430 3.131 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3c1cccc3Cl)CC2 ZINC000152796919 276694990 /nfs/dbraw/zinc/69/49/90/276694990.db2.gz UIEYBEAFUDVVDU-NHYWBVRUSA-N 1 0 316.836 3.086 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@H](c3ccccc3)C1(C)C)CC2 ZINC000123500822 276695736 /nfs/dbraw/zinc/69/57/36/276695736.db2.gz JLNMHLBBABNSIH-ZACQAIPSSA-N 1 0 324.472 3.327 10 0 DGAERO CC(=O)Oc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128588628 277094405 /nfs/dbraw/zinc/09/44/05/277094405.db2.gz DBKGHYJDYRACBU-ZWKOTPCHSA-N 1 0 313.401 3.082 10 0 DGAERO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128753738 277175429 /nfs/dbraw/zinc/17/54/29/277175429.db2.gz JCIFZCQYPVCEQL-HUUCEWRRSA-N 1 0 307.438 3.078 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)cc1Br ZINC000177929285 277629204 /nfs/dbraw/zinc/62/92/04/277629204.db2.gz KIOHFSDRNDYBFD-MWLCHTKSSA-N 1 0 302.187 3.418 10 0 DGAERO CC(C)c1ccc(CCN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261785666 278034200 /nfs/dbraw/zinc/03/42/00/278034200.db2.gz UJRCCMJAKGYKTR-HXUWFJFHSA-N 1 0 309.457 3.394 10 0 DGAERO COc1ccccc1C1(F)CC[NH+](Cc2cnc(N)s2)CC1 ZINC000261891510 278047552 /nfs/dbraw/zinc/04/75/52/278047552.db2.gz TYLZQIPZOZXWDR-UHFFFAOYSA-N 1 0 321.421 3.195 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043414 278091452 /nfs/dbraw/zinc/09/14/52/278091452.db2.gz HJRFEQHXJNBWOZ-UKRRQHHQSA-N 1 0 324.900 3.113 10 0 DGAERO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470947046 278134256 /nfs/dbraw/zinc/13/42/56/278134256.db2.gz MRNKUYXIAZBDBQ-SCRDCRAPSA-N 1 0 320.399 3.439 10 0 DGAERO C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000261683393 278305524 /nfs/dbraw/zinc/30/55/24/278305524.db2.gz BPTZVGCBGBICCF-BXUZGUMPSA-N 1 0 314.351 3.496 10 0 DGAERO CC(C)(C)N1C[C@@H](c2ccccc2Cl)[C@@]2(CCC[NH2+]C2)C1=O ZINC000216087767 278352435 /nfs/dbraw/zinc/35/24/35/278352435.db2.gz CHCKFJARXCICLD-KSSFIOAISA-N 1 0 320.864 3.434 10 0 DGAERO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279712232 278358200 /nfs/dbraw/zinc/35/82/00/278358200.db2.gz LABGJVNTBNVPBS-GDBMZVCRSA-N 1 0 304.434 3.422 10 0 DGAERO CC(C)(C)OC(=O)CCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128753492 278373238 /nfs/dbraw/zinc/37/32/38/278373238.db2.gz JCIFZCQYPVCEQL-GJZGRUSLSA-N 1 0 307.438 3.078 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc(F)c1F ZINC000183226491 278382055 /nfs/dbraw/zinc/38/20/55/278382055.db2.gz QDOITAGRNQGDNE-OLZOCXBDSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1Cl ZINC000105872248 278388264 /nfs/dbraw/zinc/38/82/64/278388264.db2.gz CSSAHICVKOQVGC-KOLCDFICSA-N 1 0 311.216 3.251 10 0 DGAERO C[C@H]1C[C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@@H](C)C1 ZINC000248585550 278486738 /nfs/dbraw/zinc/48/67/38/278486738.db2.gz QVPXWKKUAHPPFP-VQFNDLOPSA-N 1 0 306.494 3.393 10 0 DGAERO CC(C)(C)c1ncsc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000176742510 278572894 /nfs/dbraw/zinc/57/28/94/278572894.db2.gz QAGLEJQQMZXTAJ-UHFFFAOYSA-N 1 0 321.490 3.141 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)[C@H](C)C2 ZINC000250144474 278891615 /nfs/dbraw/zinc/89/16/15/278891615.db2.gz ZQVZUWHLJKEJLQ-HBUWYVDXSA-N 1 0 321.486 3.031 10 0 DGAERO O=C(Nc1ccccc1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000108052735 431116339 /nfs/dbraw/zinc/11/63/39/431116339.db2.gz JGGUXCYRSCPSAH-SFHVURJKSA-N 1 0 309.413 3.473 10 0 DGAERO Cc1cnc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000245620579 279018357 /nfs/dbraw/zinc/01/83/57/279018357.db2.gz DZOPYGNNMJHBMA-KGLIPLIRSA-N 1 0 316.430 3.018 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000068223582 279132368 /nfs/dbraw/zinc/13/23/68/279132368.db2.gz AOADPPVOBRXBTE-GFCCVEGCSA-N 1 0 305.397 3.013 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000046279068 279156104 /nfs/dbraw/zinc/15/61/04/279156104.db2.gz VUDMXSAUZGMPMU-RHSMWYFYSA-N 1 0 303.450 3.046 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000013642050 279242455 /nfs/dbraw/zinc/24/24/55/279242455.db2.gz XUDHIDJVLOVGOW-OAHLLOKOSA-N 1 0 302.462 3.199 10 0 DGAERO C[C@H](C[NH+]1CCC(CCc2ccccc2)CC1)CS(C)(=O)=O ZINC000162666946 279298326 /nfs/dbraw/zinc/29/83/26/279298326.db2.gz NHEWTQRZXTYDTN-MRXNPFEDSA-N 1 0 323.502 3.012 10 0 DGAERO Cn1cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c(C(C)(C)C)n1 ZINC000179957606 279335640 /nfs/dbraw/zinc/33/56/40/279335640.db2.gz GRDDPFZZOQAPOH-KRWDZBQOSA-N 1 0 318.509 3.168 10 0 DGAERO Cc1cnn(CCCCC[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000111229524 431201199 /nfs/dbraw/zinc/20/11/99/431201199.db2.gz AOCKAHKNYCNHRC-SFHVURJKSA-N 1 0 315.465 3.204 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135888 431165729 /nfs/dbraw/zinc/16/57/29/431165729.db2.gz PZNLYOUZYLGWFO-RHSMWYFYSA-N 1 0 309.475 3.113 10 0 DGAERO CCc1cccc2c(CC(=O)NC[C@H](C)[NH+](CC)CC)c[nH]c21 ZINC000069154845 431168421 /nfs/dbraw/zinc/16/84/21/431168421.db2.gz MHXTUDFHJXJIJC-AWEZNQCLSA-N 1 0 315.461 3.119 10 0 DGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(C)C)cc1 ZINC000110084418 431183752 /nfs/dbraw/zinc/18/37/52/431183752.db2.gz FEFUOXYHCOUNCM-KRWDZBQOSA-N 1 0 319.449 3.042 10 0 DGAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(F)cc(F)c1 ZINC000120810252 279457638 /nfs/dbraw/zinc/45/76/38/279457638.db2.gz DEWBGRXNCBHAGH-LBPRGKRZSA-N 1 0 318.371 3.074 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000068894652 431149473 /nfs/dbraw/zinc/14/94/73/431149473.db2.gz FIJNJUODMXSVCK-YOEHRIQHSA-N 1 0 308.441 3.097 10 0 DGAERO CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2ccccc2OC)C1 ZINC000112089461 431246838 /nfs/dbraw/zinc/24/68/38/431246838.db2.gz ZRKUCUSBSFGJNT-CQSZACIVSA-N 1 0 322.474 3.241 10 0 DGAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CCCC1 ZINC000070305126 431249161 /nfs/dbraw/zinc/24/91/61/431249161.db2.gz OFXWXFITUYBKGI-NHYWBVRUSA-N 1 0 311.422 3.213 10 0 DGAERO [NH3+][C@H]1CCC[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000070557362 431252050 /nfs/dbraw/zinc/25/20/50/431252050.db2.gz OHUASINLDJUPTF-JQWIXIFHSA-N 1 0 322.206 3.484 10 0 DGAERO [NH3+]CCc1ccccc1C(=O)N[C@H]1CCCc2sccc21 ZINC000070552994 431253094 /nfs/dbraw/zinc/25/30/94/431253094.db2.gz RWAMLLSBXMULSA-HNNXBMFYSA-N 1 0 300.427 3.057 10 0 DGAERO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000112549837 431282729 /nfs/dbraw/zinc/28/27/29/431282729.db2.gz YXIYNRMYJCBOKA-AEFFLSMTSA-N 1 0 308.429 3.113 10 0 DGAERO COc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c(C)c1 ZINC000071790456 431286958 /nfs/dbraw/zinc/28/69/58/431286958.db2.gz MJMUMGUSLIDKJG-CVEARBPZSA-N 1 0 320.433 3.055 10 0 DGAERO O=C(c1cccc2ncccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919356 431315123 /nfs/dbraw/zinc/31/51/23/431315123.db2.gz DTRLFMXHWUOXJV-UHFFFAOYSA-N 1 0 323.440 3.183 10 0 DGAERO O=C(c1coc2ccccc12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000113185462 431332118 /nfs/dbraw/zinc/33/21/18/431332118.db2.gz RSYLQKNAZIZKBO-UHFFFAOYSA-N 1 0 312.413 3.381 10 0 DGAERO CC[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000113222426 431334058 /nfs/dbraw/zinc/33/40/58/431334058.db2.gz UKMGIOKHXNDHCR-LZLYRXPVSA-N 1 0 300.446 3.265 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000113232092 431335624 /nfs/dbraw/zinc/33/56/24/431335624.db2.gz GWVFIGCVMDKUCE-SMDDNHRTSA-N 1 0 318.804 3.395 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cc2c1C ZINC000113227807 431335931 /nfs/dbraw/zinc/33/59/31/431335931.db2.gz QBSFIQONQGELBD-LRDDRELGSA-N 1 0 311.429 3.093 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000113998167 431372034 /nfs/dbraw/zinc/37/20/34/431372034.db2.gz DREHZMGOCDMAAI-QGZVFWFLSA-N 1 0 309.425 3.009 10 0 DGAERO CCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1OCC ZINC000113518306 431352121 /nfs/dbraw/zinc/35/21/21/431352121.db2.gz FYMYOWMCWKQXAH-RDJZCZTQSA-N 1 0 318.461 3.153 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000007540044 431354359 /nfs/dbraw/zinc/35/43/59/431354359.db2.gz SDLDWQZYARZSPX-LBPRGKRZSA-N 1 0 316.351 3.205 10 0 DGAERO COc1cc(C[NH2+]CC[C@@H](C)O)ccc1OCc1ccccc1 ZINC000114770914 431414917 /nfs/dbraw/zinc/41/49/17/431414917.db2.gz FOQVMXYYYPYCEF-OAHLLOKOSA-N 1 0 315.413 3.135 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2ccc(Cl)cc2)cc1 ZINC000008031360 431376837 /nfs/dbraw/zinc/37/68/37/431376837.db2.gz NWJAUYICULDUIP-HNNXBMFYSA-N 1 0 309.818 3.122 10 0 DGAERO COC(=O)CC[N@@H+](Cc1ccc2ccccc2n1)CC(C)C ZINC000114208398 431377702 /nfs/dbraw/zinc/37/77/02/431377702.db2.gz CKHQMJXWGVNQNH-UHFFFAOYSA-N 1 0 300.402 3.256 10 0 DGAERO COc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1F ZINC000114226883 431378739 /nfs/dbraw/zinc/37/87/39/431378739.db2.gz JFBGUIHAETUPAW-KBPBESRZSA-N 1 0 322.424 3.276 10 0 DGAERO CCOc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1F ZINC000114270229 431381192 /nfs/dbraw/zinc/38/11/92/431381192.db2.gz BWLZBXLPCDUULV-CQSZACIVSA-N 1 0 322.424 3.105 10 0 DGAERO Cc1ccc([C@H](CNC(=O)N(C)C2CCC2)[NH+]2CCCC2)cc1 ZINC000073918811 431389207 /nfs/dbraw/zinc/38/92/07/431389207.db2.gz XPTURDQEWYDVPD-SFHVURJKSA-N 1 0 315.461 3.326 10 0 DGAERO Cc1ccc(CCCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000073989635 431392421 /nfs/dbraw/zinc/39/24/21/431392421.db2.gz PKHFUFAVGBEFJC-MSOLQXFVSA-N 1 0 300.446 3.013 10 0 DGAERO C[C@H](C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCCCC1 ZINC000074194552 431404266 /nfs/dbraw/zinc/40/42/66/431404266.db2.gz KRFLVWVEVPVPTC-HZSPNIEDSA-N 1 0 320.399 3.488 10 0 DGAERO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCOCCO)o1 ZINC000010436277 431458601 /nfs/dbraw/zinc/45/86/01/431458601.db2.gz FCAXBPUQFSMTDR-UHFFFAOYSA-N 1 0 309.793 3.007 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)NCC2(C)CCCC2)ccc1F ZINC000115694813 431470712 /nfs/dbraw/zinc/47/07/12/431470712.db2.gz RUOWWOXCRNPMIH-UHFFFAOYSA-N 1 0 321.440 3.267 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2OC(C)(C)C)C1 ZINC000115778685 431472927 /nfs/dbraw/zinc/47/29/27/431472927.db2.gz YTUYSXDTBHEXIU-ZDUSSCGKSA-N 1 0 305.422 3.032 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115780903 431474008 /nfs/dbraw/zinc/47/40/08/431474008.db2.gz ILAYHSMRTWUZAE-HOTGVXAUSA-N 1 0 303.450 3.039 10 0 DGAERO CCCC(C)(C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000116553416 431517271 /nfs/dbraw/zinc/51/72/71/431517271.db2.gz NYRBUUJWVCBKQC-UHFFFAOYSA-N 1 0 309.429 3.265 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@@H]1c1ccco1)[NH+]1CCC(C)CC1 ZINC000116538778 431517709 /nfs/dbraw/zinc/51/77/09/431517709.db2.gz ILPIDMLIMPPBBW-HZPDHXFCSA-N 1 0 319.449 3.247 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)NC2(C)CCCCC2)ccc1F ZINC000116553394 431518221 /nfs/dbraw/zinc/51/82/21/431518221.db2.gz QBIWIFJAMRAIKR-UHFFFAOYSA-N 1 0 321.440 3.409 10 0 DGAERO Cc1ccc(CN(C(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)C2CC2)o1 ZINC000076149454 431530316 /nfs/dbraw/zinc/53/03/16/431530316.db2.gz WMAJHFULIJGWSM-KGLIPLIRSA-N 1 0 304.434 3.199 10 0 DGAERO CC(C)[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000091405727 279907797 /nfs/dbraw/zinc/90/77/97/279907797.db2.gz UETOMFHDDSDQLI-HUUCEWRRSA-N 1 0 318.244 3.432 10 0 DGAERO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075751955 431497709 /nfs/dbraw/zinc/49/77/09/431497709.db2.gz XHFKZZFWLRJQOM-ROUUACIJSA-N 1 0 317.408 3.137 10 0 DGAERO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116298297 431501743 /nfs/dbraw/zinc/50/17/43/431501743.db2.gz RIKPEWUYRPYTIK-IAGOWNOFSA-N 1 0 315.413 3.473 10 0 DGAERO C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCC1 ZINC000075842201 431501872 /nfs/dbraw/zinc/50/18/72/431501872.db2.gz MWOXMUYRLWQLCV-LLVKDONJSA-N 1 0 304.217 3.217 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861174 431502837 /nfs/dbraw/zinc/50/28/37/431502837.db2.gz NOVYXCJHKXBKRW-KBPBESRZSA-N 1 0 308.470 3.234 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000075862077 431503962 /nfs/dbraw/zinc/50/39/62/431503962.db2.gz KAVPXYHEKKLCLJ-CQSZACIVSA-N 1 0 320.399 3.299 10 0 DGAERO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116297468 431504240 /nfs/dbraw/zinc/50/42/40/431504240.db2.gz FBHXFCQOQVIRBG-IAGOWNOFSA-N 1 0 315.413 3.473 10 0 DGAERO CC(C)[NH2+]C1CCN(C(=O)Nc2nc(C(C)C)cs2)CC1 ZINC000075956102 431506880 /nfs/dbraw/zinc/50/68/80/431506880.db2.gz GDODVKRUWVLNIU-UHFFFAOYSA-N 1 0 310.467 3.261 10 0 DGAERO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)C(C)(C)C ZINC000116439627 431512467 /nfs/dbraw/zinc/51/24/67/431512467.db2.gz FPBRNPJKXFDOOT-ZBFHGGJFSA-N 1 0 321.465 3.493 10 0 DGAERO CC1CC[NH+](CCCNC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116524008 431515207 /nfs/dbraw/zinc/51/52/07/431515207.db2.gz WBMZICLSNOVORP-MRXNPFEDSA-N 1 0 319.449 3.248 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(F)ccc1Cl ZINC000076526485 431557629 /nfs/dbraw/zinc/55/76/29/431557629.db2.gz AZLYYSFJNDWCGN-NSHDSACASA-N 1 0 313.804 3.475 10 0 DGAERO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H]1CCCO1 ZINC000076296597 431536724 /nfs/dbraw/zinc/53/67/24/431536724.db2.gz WXNPSZIDBSYBOW-IBGZPJMESA-N 1 0 312.413 3.271 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3cccc(C(N)=O)c3)C2)cc1 ZINC000076393950 431547145 /nfs/dbraw/zinc/54/71/45/431547145.db2.gz PHMGETDWELQVEM-RDTXWAMCSA-N 1 0 324.424 3.172 10 0 DGAERO CCOc1cc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1C ZINC000076489450 431552856 /nfs/dbraw/zinc/55/28/56/431552856.db2.gz HGAMSVLUEZNJCQ-NVXWUHKLSA-N 1 0 318.461 3.196 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000076489003 431553217 /nfs/dbraw/zinc/55/32/17/431553217.db2.gz YLONFLIRPOJKOV-NUJGCVRESA-N 1 0 302.462 3.369 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2SC)[C@H](C)C1 ZINC000076487528 431553355 /nfs/dbraw/zinc/55/33/55/431553355.db2.gz MWUAFCZVMZNNTJ-NEPJUHHUSA-N 1 0 312.504 3.272 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000076485012 431554128 /nfs/dbraw/zinc/55/41/28/431554128.db2.gz RKTTZJRUFJCBHT-RHSMWYFYSA-N 1 0 322.880 3.461 10 0 DGAERO C[C@H]1C[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000290984656 280021281 /nfs/dbraw/zinc/02/12/81/280021281.db2.gz YYTPGTRQQGDTFV-QUBYGPBYSA-N 1 0 320.028 3.105 10 0 DGAERO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2(OC)CCOCC2)C1 ZINC000453128578 280048258 /nfs/dbraw/zinc/04/82/58/280048258.db2.gz JMAUDJIYHIMTRI-RRFJBIMHSA-N 1 0 301.496 3.224 10 0 DGAERO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000076942284 431566040 /nfs/dbraw/zinc/56/60/40/431566040.db2.gz QHOYKNWEJVZQOM-RDBSUJKOSA-N 1 0 320.399 3.298 10 0 DGAERO CCCCOCCC[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000013719903 431566716 /nfs/dbraw/zinc/56/67/16/431566716.db2.gz ZJFDQIHMIZQAOO-UHFFFAOYSA-N 1 0 311.422 3.009 10 0 DGAERO O=C(c1ccc(F)cc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916896 280186524 /nfs/dbraw/zinc/18/65/24/280186524.db2.gz FOJBVZKTZGFBCN-ABAIWWIYSA-N 1 0 310.800 3.083 10 0 DGAERO O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@H]2CCCC[C@@H]21 ZINC000262413593 280195197 /nfs/dbraw/zinc/19/51/97/280195197.db2.gz YKMROUIWLABMFQ-APWZRJJASA-N 1 0 312.457 3.170 10 0 DGAERO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000172531525 280269093 /nfs/dbraw/zinc/26/90/93/280269093.db2.gz JKLADFXHQPUYPN-IBGZPJMESA-N 1 0 314.473 3.198 10 0 DGAERO CC[C@@H]1CCC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000077856613 280286582 /nfs/dbraw/zinc/28/65/82/280286582.db2.gz WNHYUNHVQMZVEL-HZPDHXFCSA-N 1 0 307.482 3.225 10 0 DGAERO Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@](C)(O)CCC(C)C ZINC000077455876 431596845 /nfs/dbraw/zinc/59/68/45/431596845.db2.gz VQBBDAJMUNJRTP-IBGZPJMESA-N 1 0 315.461 3.458 10 0 DGAERO COc1ccc(-c2noc(C[N@@H+]3CCCC3(C)C)n2)c(OC)c1 ZINC000077483463 431599213 /nfs/dbraw/zinc/59/92/13/431599213.db2.gz OUEAKAYTPQKYRS-UHFFFAOYSA-N 1 0 317.389 3.128 10 0 DGAERO CC1(C)CCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000077509770 431602386 /nfs/dbraw/zinc/60/23/86/431602386.db2.gz DVRHLTQRJJNJGW-CQSZACIVSA-N 1 0 305.422 3.001 10 0 DGAERO c1ccc(SCC[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000117879813 431581668 /nfs/dbraw/zinc/58/16/68/431581668.db2.gz PVQALVPNGHGCET-UHFFFAOYSA-N 1 0 314.458 3.145 10 0 DGAERO CCOCCN1CC[N@H+](CCSc2ccccc2)C[C@@H]1CC ZINC000117880117 431583394 /nfs/dbraw/zinc/58/33/94/431583394.db2.gz ACXXLQUHTIZBNF-KRWDZBQOSA-N 1 0 322.518 3.211 10 0 DGAERO CC1(C)CCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000077355088 431587413 /nfs/dbraw/zinc/58/74/13/431587413.db2.gz LGZJCRQAWLEHGE-KRWDZBQOSA-N 1 0 300.446 3.300 10 0 DGAERO CSCCC(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000119168491 431657128 /nfs/dbraw/zinc/65/71/28/431657128.db2.gz IWSPIGYWUCCRQB-UHFFFAOYSA-N 1 0 322.474 3.161 10 0 DGAERO C(C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1)C1CCCC1 ZINC000119209631 431658972 /nfs/dbraw/zinc/65/89/72/431658972.db2.gz MQYRCINBLAGNFD-UHFFFAOYSA-N 1 0 318.465 3.035 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000119210168 431659301 /nfs/dbraw/zinc/65/93/01/431659301.db2.gz IOQFXYWRJFPBOC-MQYQWHSLSA-N 1 0 320.399 3.202 10 0 DGAERO CCCOc1ccc([C@H](C)NC(=O)C[NH+](C)C)cc1OCCC ZINC000015258507 431606865 /nfs/dbraw/zinc/60/68/65/431606865.db2.gz AEGUGZVZKLCWJT-AWEZNQCLSA-N 1 0 322.449 3.003 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)c1cccc(F)c1 ZINC000077552876 431608638 /nfs/dbraw/zinc/60/86/38/431608638.db2.gz LZXYYRBVVREPEF-CYBMUJFWSA-N 1 0 309.429 3.090 10 0 DGAERO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000029093278 431713094 /nfs/dbraw/zinc/71/30/94/431713094.db2.gz WCSXSPOGMVCSGQ-UHFFFAOYSA-N 1 0 318.804 3.443 10 0 DGAERO Clc1ccc2c(c1)N=C(N1CC[NH2+]CC1)c1cscc1N2 ZINC000028000710 431701179 /nfs/dbraw/zinc/70/11/79/431701179.db2.gz UQBUQLHCFDFQCC-UHFFFAOYSA-N 1 0 318.833 3.442 10 0 DGAERO CC(C)[N@H+](Cc1noc(-c2ccccc2)n1)C1CCOCC1 ZINC000119612454 431711626 /nfs/dbraw/zinc/71/16/26/431711626.db2.gz SXDPRRDXESDEIB-UHFFFAOYSA-N 1 0 301.390 3.126 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H](C)c2ccccc21 ZINC000079495051 431724538 /nfs/dbraw/zinc/72/45/38/431724538.db2.gz IZLJJKAPFUHDSN-LSDHHAIUSA-N 1 0 303.450 3.296 10 0 DGAERO CCN(Cc1cccs1)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000079495385 431726978 /nfs/dbraw/zinc/72/69/78/431726978.db2.gz TWGVRAKRNLBYNE-AWEZNQCLSA-N 1 0 311.495 3.256 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCC1CCOCC1)c1ccccc1 ZINC000120469723 431727699 /nfs/dbraw/zinc/72/76/99/431727699.db2.gz FFYIMLQQHKIVPI-CVEARBPZSA-N 1 0 318.461 3.001 10 0 DGAERO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCC(=O)NC(C)C ZINC000121083961 431745253 /nfs/dbraw/zinc/74/52/53/431745253.db2.gz LNGZHFBFNDBXIN-ZDUSSCGKSA-N 1 0 311.495 3.482 10 0 DGAERO C[C@H](C1CC1)[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000079961215 431754460 /nfs/dbraw/zinc/75/44/60/431754460.db2.gz BQBLXFVQVGTOPO-YPMHNXCESA-N 1 0 318.383 3.050 10 0 DGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(C)nn(C)c2C)C12CCCC2 ZINC000121224557 431755535 /nfs/dbraw/zinc/75/55/35/431755535.db2.gz WVQPPASRMNTCEW-IRXDYDNUSA-N 1 0 305.466 3.207 10 0 DGAERO Cc1cnccc1NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000121489044 431793387 /nfs/dbraw/zinc/79/33/87/431793387.db2.gz RRAMIHWMABBZOA-AWEZNQCLSA-N 1 0 303.387 3.057 10 0 DGAERO Cc1nc(CN2CC[N@@H+](C)CC23CCCCC3)nc2ccccc12 ZINC000081597763 431793608 /nfs/dbraw/zinc/79/36/08/431793608.db2.gz WQMIKELXUCBSGG-UHFFFAOYSA-N 1 0 324.472 3.389 10 0 DGAERO Cc1ccc(CCC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000033085266 431806201 /nfs/dbraw/zinc/80/62/01/431806201.db2.gz TVNFVHFIALPUIU-UHFFFAOYSA-N 1 0 310.441 3.306 10 0 DGAERO CO[C@H]1CCC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084074658 431813693 /nfs/dbraw/zinc/81/36/93/431813693.db2.gz LYNPKNZZUWUZIH-AWEZNQCLSA-N 1 0 308.447 3.071 10 0 DGAERO C[N@H+](CCNC(=O)C/C=C/c1ccc(F)cc1)C1CCCC1 ZINC000080642468 431773869 /nfs/dbraw/zinc/77/38/69/431773869.db2.gz UDGHLWHFYHUOHD-SNAWJCMRSA-N 1 0 304.409 3.220 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095968 431781166 /nfs/dbraw/zinc/78/11/66/431781166.db2.gz NOVWRILMTWODKX-UKRRQHHQSA-N 1 0 312.404 3.450 10 0 DGAERO Cc1cc(C)n(C[C@H]2C[N@H+](CC3CCC(C)CC3)CCO2)n1 ZINC000122665808 431841292 /nfs/dbraw/zinc/84/12/92/431841292.db2.gz YUPVVPLDICFMEQ-IUPXNIOVSA-N 1 0 305.466 3.027 10 0 DGAERO C[C@H]([NH2+]C1CCCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954811 431842245 /nfs/dbraw/zinc/84/22/45/431842245.db2.gz BFNPGZVEWACKJM-ZDUSSCGKSA-N 1 0 310.463 3.098 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000085985015 431842879 /nfs/dbraw/zinc/84/28/79/431842879.db2.gz HHOVVBQBRCIZNK-QMTHXVAHSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)s1 ZINC000037090181 431844287 /nfs/dbraw/zinc/84/42/87/431844287.db2.gz VSSQRKUSWAPOST-UONOGXRCSA-N 1 0 302.447 3.166 10 0 DGAERO Fc1cccc(F)c1CN1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086253528 431844328 /nfs/dbraw/zinc/84/43/28/431844328.db2.gz INEYNOCXHDRECE-CQSZACIVSA-N 1 0 305.372 3.047 10 0 DGAERO CC(C)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037231659 431844833 /nfs/dbraw/zinc/84/48/33/431844833.db2.gz IHXCYWJCOAECDM-KBPBESRZSA-N 1 0 312.479 3.199 10 0 DGAERO CC[C@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000122859278 431846958 /nfs/dbraw/zinc/84/69/58/431846958.db2.gz BZKUBSFLLSUNSU-FZMZJTMJSA-N 1 0 317.260 3.431 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CC3)CC2)cc1F ZINC000087032685 431849075 /nfs/dbraw/zinc/84/90/75/431849075.db2.gz FBICDNNRHFQURI-CYBMUJFWSA-N 1 0 319.424 3.121 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cnc3ccc(C)cn23)C1 ZINC000122963349 431851086 /nfs/dbraw/zinc/85/10/86/431851086.db2.gz LERANWIYUZWXOO-INIZCTEOSA-N 1 0 323.444 3.239 10 0 DGAERO CC(C)(C)c1nc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917963 431851208 /nfs/dbraw/zinc/85/12/08/431851208.db2.gz KZKUWHBZYVWBFI-HIFRSBDPSA-N 1 0 307.507 3.405 10 0 DGAERO Brc1ccccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916523 431851427 /nfs/dbraw/zinc/85/14/27/431851427.db2.gz NXSHHFUTMAZNLR-HOCLYGCPSA-N 1 0 323.278 3.413 10 0 DGAERO O=C(c1ccc(Cl)cc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917230 431851725 /nfs/dbraw/zinc/85/17/25/431851725.db2.gz XKEWHJWOFJRPES-IAQYHMDHSA-N 1 0 310.800 3.083 10 0 DGAERO Fc1ccc(Br)cc1C[NH2+]CC[C@H]1CCCO1 ZINC000037988751 431853593 /nfs/dbraw/zinc/85/35/93/431853593.db2.gz VIDGCPRBQWSJTM-GFCCVEGCSA-N 1 0 302.187 3.247 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCO[C@@H](C)CC(C)C)[C@H](C)C1 ZINC000087324278 431853672 /nfs/dbraw/zinc/85/36/72/431853672.db2.gz XEODTAPLZMOKMW-IKGGRYGDSA-N 1 0 312.498 3.016 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2Cl)o1 ZINC000038097600 431854960 /nfs/dbraw/zinc/85/49/60/431854960.db2.gz MGLFXIUPBGHFDK-STQMWFEESA-N 1 0 309.793 3.332 10 0 DGAERO Cc1cc(COc2ccc(OCC[NH+]3CCCCC3)cc2)no1 ZINC000123383028 431862924 /nfs/dbraw/zinc/86/29/24/431862924.db2.gz XERVUHQFVOFVSH-UHFFFAOYSA-N 1 0 316.401 3.427 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CCCC3)CC[N@@H+]1C ZINC000123402058 431864303 /nfs/dbraw/zinc/86/43/03/431864303.db2.gz XWHQWQUOMANUJW-GXTWGEPZSA-N 1 0 306.475 3.182 10 0 DGAERO CC(C)[C@@H](C)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000035111785 431824404 /nfs/dbraw/zinc/82/44/04/431824404.db2.gz VKAIQQAIWORXRS-SECBINFHSA-N 1 0 300.196 3.312 10 0 DGAERO C[C@@H]1C[NH+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H](C)O1 ZINC000122389375 431831387 /nfs/dbraw/zinc/83/13/87/431831387.db2.gz HIHDYXRLSUUDBA-VXGBXAGGSA-N 1 0 321.808 3.042 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccccc2F)[C@H](C)C1 ZINC000122431566 431832952 /nfs/dbraw/zinc/83/29/52/431832952.db2.gz KTZHZQFGAZZBHJ-DAYGRLMNSA-N 1 0 320.452 3.193 10 0 DGAERO CCC[N@@H+](Cc1ccc(C)o1)C[C@H](O)COc1ccccc1 ZINC000036097874 431835469 /nfs/dbraw/zinc/83/54/69/431835469.db2.gz JLSDTKXAPDTXPI-INIZCTEOSA-N 1 0 303.402 3.240 10 0 DGAERO Cc1cc(C)n(C[C@H]2C[N@H+](CC3CCCCCC3)CCO2)n1 ZINC000122531468 431835903 /nfs/dbraw/zinc/83/59/03/431835903.db2.gz XXCDNHOQPVGCEC-GOSISDBHSA-N 1 0 305.466 3.171 10 0 DGAERO CC[C@H](C)[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036104149 431837193 /nfs/dbraw/zinc/83/71/93/431837193.db2.gz QNWHSHRWOQWYRB-BBRMVZONSA-N 1 0 315.404 3.351 10 0 DGAERO CCCOc1ccc(NC(=O)NC[C@H](C)[NH+](CC)CC)cc1 ZINC000124963859 431910400 /nfs/dbraw/zinc/91/04/00/431910400.db2.gz GPVSLJXNUFHEQG-AWEZNQCLSA-N 1 0 307.438 3.327 10 0 DGAERO Fc1ccc(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000125094571 431913607 /nfs/dbraw/zinc/91/36/07/431913607.db2.gz QEOTZLXUDDLLIC-CYBMUJFWSA-N 1 0 307.752 3.409 10 0 DGAERO C[NH+]1CCC(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000047885447 431916520 /nfs/dbraw/zinc/91/65/20/431916520.db2.gz DIXKIPVBDRHKAV-MRXNPFEDSA-N 1 0 321.852 3.185 10 0 DGAERO CCOC(=O)c1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)o1 ZINC000093666196 431917140 /nfs/dbraw/zinc/91/71/40/431917140.db2.gz CHQRVGIDTZMPQM-OAHLLOKOSA-N 1 0 321.417 3.380 10 0 DGAERO C[C@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccs1 ZINC000047976407 431917146 /nfs/dbraw/zinc/91/71/46/431917146.db2.gz ORXIPPMKSBPKIE-ZNMIVQPWSA-N 1 0 323.506 3.476 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095088801 431921412 /nfs/dbraw/zinc/92/14/12/431921412.db2.gz LIZNYKMBCGQLTG-KGLIPLIRSA-N 1 0 307.438 3.265 10 0 DGAERO Brc1cc(COCCC[C@H]2CCC[NH2+]C2)ccn1 ZINC000095092474 431922387 /nfs/dbraw/zinc/92/23/87/431922387.db2.gz UNRHLFWARJNPCO-GFCCVEGCSA-N 1 0 313.239 3.141 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732899 431876129 /nfs/dbraw/zinc/87/61/29/431876129.db2.gz XEVGKLFDWIPJGG-RTBURBONSA-N 1 0 324.472 3.365 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(C)cc1 ZINC000089733026 431876288 /nfs/dbraw/zinc/87/62/88/431876288.db2.gz ARMIUOCHSPDSDI-MSOLQXFVSA-N 1 0 310.445 3.495 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000123861820 431877196 /nfs/dbraw/zinc/87/71/96/431877196.db2.gz DPUPMNHHJTXWJX-MNOVXSKESA-N 1 0 317.296 3.425 10 0 DGAERO Cn1cccc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000089808474 431880464 /nfs/dbraw/zinc/88/04/64/431880464.db2.gz PMUIXARJNJSSDY-DLBZAZTESA-N 1 0 303.837 3.214 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000123989458 431880693 /nfs/dbraw/zinc/88/06/93/431880693.db2.gz VVKUWFPWZJTGMX-CXAGYDPISA-N 1 0 317.408 3.395 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1scnc1C1CC1 ZINC000089827305 431881225 /nfs/dbraw/zinc/88/12/25/431881225.db2.gz DNOUMLOCGNKMNC-ZDUSSCGKSA-N 1 0 307.463 3.015 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(OCC3CC3)cc2)CC[N@@H+]1C ZINC000124076389 431881892 /nfs/dbraw/zinc/88/18/92/431881892.db2.gz CMXCGTOVASGOLE-PBHICJAKSA-N 1 0 316.445 3.030 10 0 DGAERO C[C@H]1C[C@H](N(C)c2nc(-c3ccccc3)ns2)CC[N@@H+]1C ZINC000125448749 431925520 /nfs/dbraw/zinc/92/55/20/431925520.db2.gz LQQYTLVZUMLUIB-GXTWGEPZSA-N 1 0 302.447 3.124 10 0 DGAERO CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(OC)cc1 ZINC000124198282 431886038 /nfs/dbraw/zinc/88/60/38/431886038.db2.gz SDPQYEOMXHDLKV-SFHVURJKSA-N 1 0 301.434 3.329 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+]CCc1c(C)nn(C)c1C)CCC2 ZINC000124241946 431887119 /nfs/dbraw/zinc/88/71/19/431887119.db2.gz UPPACGVBYLROMD-CQSZACIVSA-N 1 0 304.463 3.012 10 0 DGAERO COc1ccccc1[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124309765 431889562 /nfs/dbraw/zinc/88/95/62/431889562.db2.gz MWSIMPCXMWUUOP-PMPSAXMXSA-N 1 0 318.461 3.130 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000090251399 431891096 /nfs/dbraw/zinc/89/10/96/431891096.db2.gz RQNNBPSUPZFBMM-NOZJJQNGSA-N 1 0 318.642 3.353 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000090251397 431891151 /nfs/dbraw/zinc/89/11/51/431891151.db2.gz RQNNBPSUPZFBMM-RNCFNFMXSA-N 1 0 318.642 3.353 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC000090740062 431894994 /nfs/dbraw/zinc/89/49/94/431894994.db2.gz SJWBDQGGORPCLL-LLVKDONJSA-N 1 0 310.360 3.176 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C2(c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000124512426 431896066 /nfs/dbraw/zinc/89/60/66/431896066.db2.gz DUPSDOYGNNPRFN-XJKSGUPXSA-N 1 0 320.864 3.313 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000046279499 431896360 /nfs/dbraw/zinc/89/63/60/431896360.db2.gz SWZFIACUMFWCRI-HOTGVXAUSA-N 1 0 305.466 3.428 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000046279649 431896725 /nfs/dbraw/zinc/89/67/25/431896725.db2.gz XCBBGHFTRHTQSF-GFCCVEGCSA-N 1 0 311.401 3.076 10 0 DGAERO COCC[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090852868 431896879 /nfs/dbraw/zinc/89/68/79/431896879.db2.gz XIPZJMBCTHABRY-KNXALSJPSA-N 1 0 314.832 3.239 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1cnccn1 ZINC000090916607 431897440 /nfs/dbraw/zinc/89/74/40/431897440.db2.gz GNYOIYUGHSELTG-YLQAJVPDSA-N 1 0 316.836 3.226 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(c2ccccc2)CCC1 ZINC000046858037 431901269 /nfs/dbraw/zinc/90/12/69/431901269.db2.gz GLAMQYIDXVHHPH-INIZCTEOSA-N 1 0 300.446 3.099 10 0 DGAERO Cc1ccc([C@@H]2CCCCN2CC(=O)NCc2ccco2)o1 ZINC000124707095 431901349 /nfs/dbraw/zinc/90/13/49/431901349.db2.gz OJGWSKDHSJDDTH-HNNXBMFYSA-N 1 0 302.374 3.024 10 0 DGAERO C[C@@H]1CCc2c(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)csc2C1 ZINC000124797292 431905251 /nfs/dbraw/zinc/90/52/51/431905251.db2.gz WLPFYPXDRIMATG-MGPQQGTHSA-N 1 0 320.502 3.428 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000047143198 431905952 /nfs/dbraw/zinc/90/59/52/431905952.db2.gz HRFNJLQIFXRMBY-ZDUSSCGKSA-N 1 0 313.445 3.389 10 0 DGAERO Fc1cc(C[NH2+]CCc2cscn2)ccc1Br ZINC000127474105 431973791 /nfs/dbraw/zinc/97/37/91/431973791.db2.gz JKRLHEOJXPWCBD-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2 ZINC000055375014 431980841 /nfs/dbraw/zinc/98/08/41/431980841.db2.gz MDRLSXGSWPWBSE-OLZOCXBDSA-N 1 0 312.369 3.093 10 0 DGAERO C(=C/c1ccco1)\C[N@@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000055088395 431976626 /nfs/dbraw/zinc/97/66/26/431976626.db2.gz PPQGARIFYJYLHN-DAFODLJHSA-N 1 0 322.412 3.477 10 0 DGAERO COc1ccc2[nH]cc(C3CC[NH+](CCC(C)=O)CC3)c2c1 ZINC000098136785 431979487 /nfs/dbraw/zinc/97/94/87/431979487.db2.gz JCDAPMUAHGJHSX-UHFFFAOYSA-N 1 0 300.402 3.335 10 0 DGAERO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127716230 431979537 /nfs/dbraw/zinc/97/95/37/431979537.db2.gz VGJLRQXXCYJRHK-KGLIPLIRSA-N 1 0 323.506 3.361 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc(Cl)c1Cl ZINC000125497845 431927431 /nfs/dbraw/zinc/92/74/31/431927431.db2.gz CHBDSRINMXLFOG-ABAIWWIYSA-N 1 0 318.244 3.433 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2cnn(-c3cccc(Cl)c3)c2)C[N@@H+]1C ZINC000096009216 431934456 /nfs/dbraw/zinc/93/44/56/431934456.db2.gz LPMLJUZJXHZBSX-SUMWQHHRSA-N 1 0 318.852 3.050 10 0 DGAERO Cc1cccc(CCC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000049073621 431936563 /nfs/dbraw/zinc/93/65/63/431936563.db2.gz ARTHJQUPSGNEDW-UHFFFAOYSA-N 1 0 314.473 3.262 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000051996997 431953856 /nfs/dbraw/zinc/95/38/56/431953856.db2.gz MVXGBULVMZZWEY-LSDHHAIUSA-N 1 0 306.406 3.342 10 0 DGAERO CCN(Cc1ccccc1Cl)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000052593808 431956681 /nfs/dbraw/zinc/95/66/81/431956681.db2.gz FUUVSGOQKXDLLK-OAHLLOKOSA-N 1 0 323.868 3.356 10 0 DGAERO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c(C)n1 ZINC000052822829 431958023 /nfs/dbraw/zinc/95/80/23/431958023.db2.gz KQJYTRANGLNEMA-SFHVURJKSA-N 1 0 317.477 3.185 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)s1 ZINC000127767966 431980488 /nfs/dbraw/zinc/98/04/88/431980488.db2.gz DDKODYUOIOAZFT-ZIAGYGMSSA-N 1 0 319.430 3.005 10 0 DGAERO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1F ZINC000126851423 431959695 /nfs/dbraw/zinc/95/96/95/431959695.db2.gz SYUHQIMXSHSDHS-OAHLLOKOSA-N 1 0 318.436 3.048 10 0 DGAERO C[C@H]1CCCCN1CC[NH2+]Cc1cc(Br)cs1 ZINC000053343444 431962616 /nfs/dbraw/zinc/96/26/16/431962616.db2.gz VZKNTINIERPWES-NSHDSACASA-N 1 0 317.296 3.475 10 0 DGAERO COc1ccc([C@]2(O)[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000100645519 431982754 /nfs/dbraw/zinc/98/27/54/431982754.db2.gz QYTFAGWHTOOKET-RUYXUALKSA-N 1 0 309.409 3.035 10 0 DGAERO O=C(CC[N@@H+]1CCC[C@@H](c2nccs2)C1)Nc1ccccc1 ZINC000101587017 431985997 /nfs/dbraw/zinc/98/59/97/431985997.db2.gz SQUBKDLVCHPTRW-CQSZACIVSA-N 1 0 315.442 3.351 10 0 DGAERO COc1c(C)cc(C[N@H+](C)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000101566428 431986599 /nfs/dbraw/zinc/98/65/99/431986599.db2.gz QDKWHXGZQREFEN-HNNXBMFYSA-N 1 0 318.461 3.191 10 0 DGAERO CC[C@@H](O)CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000128230659 431990263 /nfs/dbraw/zinc/99/02/63/431990263.db2.gz RHPQQDUDOSAVBM-GXTWGEPZSA-N 1 0 301.377 3.360 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000102401662 431993526 /nfs/dbraw/zinc/99/35/26/431993526.db2.gz QISXXVCKFBOXMJ-KRWDZBQOSA-N 1 0 318.461 3.355 10 0 DGAERO Cc1ccc2c(C[NH2+][C@H](C)[C@H]3CCCO3)cc(=O)oc2c1C ZINC000183224917 432270416 /nfs/dbraw/zinc/27/04/16/432270416.db2.gz JFCDZLRNTXAVQE-CZUORRHYSA-N 1 0 301.386 3.067 10 0 DGAERO Cc1sc2nc([C@H](C)[NH2+][C@H](C)[C@@H]3CCCO3)nc(N)c2c1C ZINC000183235346 432271955 /nfs/dbraw/zinc/27/19/55/432271955.db2.gz COFJQQFYUNAHKE-SCVCMEIPSA-N 1 0 320.462 3.108 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000151757607 432273117 /nfs/dbraw/zinc/27/31/17/432273117.db2.gz CBACOMRICPWTRP-OAHLLOKOSA-N 1 0 313.445 3.199 10 0 DGAERO C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C[C@@H]1CCCO1 ZINC000183253453 432274023 /nfs/dbraw/zinc/27/40/23/432274023.db2.gz PXJTZIXAGNSZHI-LBPRGKRZSA-N 1 0 321.314 3.378 10 0 DGAERO COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000183271352 432276267 /nfs/dbraw/zinc/27/62/67/432276267.db2.gz HDCKASDYVGCURP-DLBZAZTESA-N 1 0 316.445 3.135 10 0 DGAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000183562949 432303365 /nfs/dbraw/zinc/30/33/65/432303365.db2.gz RWVZUCGFPQUFML-YPMHNXCESA-N 1 0 309.431 3.073 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)ccc1F ZINC000191574489 432279467 /nfs/dbraw/zinc/27/94/67/432279467.db2.gz HUKNGLMMPDKWBI-WMLDXEAASA-N 1 0 317.404 3.397 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+]([C@H]3CCCN(C(C)C)C3=O)C2)n1 ZINC000248358740 432281969 /nfs/dbraw/zinc/28/19/69/432281969.db2.gz RCXHJVQQESHRET-CABCVRRESA-N 1 0 321.490 3.030 10 0 DGAERO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000459033610 281420958 /nfs/dbraw/zinc/42/09/58/281420958.db2.gz CEZGFEKNLGKRBO-YCPHGPKFSA-N 1 0 321.465 3.275 10 0 DGAERO C[C@@H]1C[C@@H](C(=O)NC2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC000183316815 432282490 /nfs/dbraw/zinc/28/24/90/432282490.db2.gz YUUSREPFONMTQD-GDBMZVCRSA-N 1 0 306.494 3.439 10 0 DGAERO Cc1cccnc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248389465 432283053 /nfs/dbraw/zinc/28/30/53/432283053.db2.gz GOZDCCNMJBJUMM-NVXWUHKLSA-N 1 0 324.428 3.032 10 0 DGAERO C[NH+](C)C1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000173522315 432284523 /nfs/dbraw/zinc/28/45/23/432284523.db2.gz NZDLLTWSBDHXOS-UHFFFAOYSA-N 1 0 316.367 3.154 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(N(CC)CC)s1 ZINC000248402225 432284960 /nfs/dbraw/zinc/28/49/60/432284960.db2.gz UPXRWCQLOUELEJ-GJZGRUSLSA-N 1 0 322.522 3.048 10 0 DGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H]1CCCOC1 ZINC000191632437 432285605 /nfs/dbraw/zinc/28/56/05/432285605.db2.gz DIOSSSBIHZHQGK-PWSUYJOCSA-N 1 0 314.223 3.287 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000191691415 432291387 /nfs/dbraw/zinc/29/13/87/432291387.db2.gz JKFPVVUOLMRGIO-CQSZACIVSA-N 1 0 321.469 3.050 10 0 DGAERO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000248442843 432292810 /nfs/dbraw/zinc/29/28/10/432292810.db2.gz VOECSDGDQAEIAE-JKSUJKDBSA-N 1 0 321.465 3.152 10 0 DGAERO CN(C(=O)Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173704940 432294162 /nfs/dbraw/zinc/29/41/62/432294162.db2.gz XAFMQHODPVWAGQ-HXUWFJFHSA-N 1 0 322.452 3.352 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C ZINC000173698231 432294176 /nfs/dbraw/zinc/29/41/76/432294176.db2.gz VYVZUCGHHKJDQJ-SFHVURJKSA-N 1 0 312.461 3.440 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000191756209 432298776 /nfs/dbraw/zinc/29/87/76/432298776.db2.gz MJYYHWRIPHAUAL-BXUZGUMPSA-N 1 0 303.324 3.142 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000191756191 432299860 /nfs/dbraw/zinc/29/98/60/432299860.db2.gz MJYYHWRIPHAUAL-FZMZJTMJSA-N 1 0 303.324 3.142 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1CCO[C@H]1CCCCO1)c1ccccc1 ZINC000248562273 432301214 /nfs/dbraw/zinc/30/12/14/432301214.db2.gz JVFURGOHSRMWTM-OTWHNJEPSA-N 1 0 319.445 3.118 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCCOCc1ccccc1)CC2 ZINC000248565618 432301982 /nfs/dbraw/zinc/30/19/82/432301982.db2.gz KQZUUEQLPLDMLX-RBUKOAKNSA-N 1 0 303.446 3.220 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000183535817 432302176 /nfs/dbraw/zinc/30/21/76/432302176.db2.gz SXEUXGFGBNKCEY-HNNXBMFYSA-N 1 0 315.804 3.218 10 0 DGAERO CC(C)COc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000128422047 431993657 /nfs/dbraw/zinc/99/36/57/431993657.db2.gz RUMAUNHNOZEROI-KRWDZBQOSA-N 1 0 313.445 3.444 10 0 DGAERO CC(=O)Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128588410 431996785 /nfs/dbraw/zinc/99/67/85/431996785.db2.gz DBKGHYJDYRACBU-QZTJIDSGSA-N 1 0 313.401 3.082 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000058525359 431997535 /nfs/dbraw/zinc/99/75/35/431997535.db2.gz FTXPDOXBDLIAQU-OAHLLOKOSA-N 1 0 313.401 3.163 10 0 DGAERO C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000102770490 431998146 /nfs/dbraw/zinc/99/81/46/431998146.db2.gz ZBQSXCOOHNNDID-XEZPLFJOSA-N 1 0 324.852 3.017 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1ccc2ccccc2c1 ZINC000183127499 432262079 /nfs/dbraw/zinc/26/20/79/432262079.db2.gz FDNOKGAGJFNOCA-SUNYJGFJSA-N 1 0 312.413 3.324 10 0 DGAERO C[C@@H]1CC[C@H](C)N1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248026906 432262701 /nfs/dbraw/zinc/26/27/01/432262701.db2.gz JSQLBRXGQKKFFO-HDEZJCGLSA-N 1 0 301.434 3.014 10 0 DGAERO C[C@@H]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000248050533 432262713 /nfs/dbraw/zinc/26/27/13/432262713.db2.gz NSSCZZWJIQCRIL-GFIVTLFCSA-N 1 0 300.446 3.374 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccn3c2)[C@H]1c1ccccc1 ZINC000248052289 432263751 /nfs/dbraw/zinc/26/37/51/432263751.db2.gz NYIJMDSDGMNYTR-RBUKOAKNSA-N 1 0 319.408 3.115 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000151664830 432264658 /nfs/dbraw/zinc/26/46/58/432264658.db2.gz SCRGAPXZPTVNLB-IUODEOHRSA-N 1 0 305.397 3.129 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3cc(C(N)=O)cs3)C2)c1 ZINC000183213448 432268491 /nfs/dbraw/zinc/26/84/91/432268491.db2.gz ICZFCTIRSXTMFK-CQSZACIVSA-N 1 0 314.454 3.453 10 0 DGAERO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248742843 432316284 /nfs/dbraw/zinc/31/62/84/432316284.db2.gz RJVSFRMYQRHIOF-UWLPGLTFSA-N 1 0 319.420 3.185 10 0 DGAERO CSCc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1F ZINC000174085624 432319828 /nfs/dbraw/zinc/31/98/28/432319828.db2.gz DRZYRTUFLVVRGD-CYBMUJFWSA-N 1 0 324.465 3.293 10 0 DGAERO C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000191987664 432320328 /nfs/dbraw/zinc/32/03/28/432320328.db2.gz YIXXDXNMFHLZCD-WMLDXEAASA-N 1 0 302.418 3.036 10 0 DGAERO CCCc1cccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000248805876 432320439 /nfs/dbraw/zinc/32/04/39/432320439.db2.gz BCNZSVUBTTYHBO-SJORKVTESA-N 1 0 315.417 3.293 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248831716 432321794 /nfs/dbraw/zinc/32/17/94/432321794.db2.gz MOMGBGOQDMBFGD-POZUXBRTSA-N 1 0 319.445 3.320 10 0 DGAERO COCc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC3(CCC3)C(=O)O2)o1 ZINC000248846917 432324278 /nfs/dbraw/zinc/32/42/78/432324278.db2.gz NLBNGDVKNQBLNY-HUUCEWRRSA-N 1 0 319.401 3.049 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000248874774 432324693 /nfs/dbraw/zinc/32/46/93/432324693.db2.gz QYHKLJGYJNVDQA-XGWLTEMNSA-N 1 0 303.402 3.066 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)cn1 ZINC000192029387 432326187 /nfs/dbraw/zinc/32/61/87/432326187.db2.gz YMMNJFQEEQAGKZ-GFCCVEGCSA-N 1 0 323.799 3.081 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000248893626 432327032 /nfs/dbraw/zinc/32/70/32/432327032.db2.gz SRCULRANRLEXKU-WMZOPIPTSA-N 1 0 318.509 3.088 10 0 DGAERO CCC1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174187346 432327070 /nfs/dbraw/zinc/32/70/70/432327070.db2.gz HJRZPBFXTVDTDN-AQFXKWCLSA-N 1 0 307.482 3.083 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)c2nc(C)cs2)C12CCOCC2 ZINC000248904214 432328870 /nfs/dbraw/zinc/32/88/70/432328870.db2.gz ATUDVIOXFQNFJP-AEGPPILISA-N 1 0 324.490 3.119 10 0 DGAERO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)c1c(F)cccc1Cl ZINC000183848246 432329833 /nfs/dbraw/zinc/32/98/33/432329833.db2.gz KEEBWDDTVWFNML-JTQLQIEISA-N 1 0 321.783 3.431 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(OC(C)C)c(OC)c1)[NH+](C)C ZINC000183914011 432333713 /nfs/dbraw/zinc/33/37/13/432333713.db2.gz DKRKZJYSZGZHGD-CQSZACIVSA-N 1 0 308.422 3.151 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@H+]1C[C@@H](O)C1CCCCC1)c1ccco1 ZINC000249039425 432334020 /nfs/dbraw/zinc/33/40/20/432334020.db2.gz GLTMPHPGQXUESE-GVDBMIGSSA-N 1 0 307.434 3.109 10 0 DGAERO CCCC1CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000174286272 432334460 /nfs/dbraw/zinc/33/44/60/432334460.db2.gz FYTAQODCWDXWMC-OFLPRAFFSA-N 1 0 305.466 3.001 10 0 DGAERO C=Cn1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cn1 ZINC000249031003 432335194 /nfs/dbraw/zinc/33/51/94/432335194.db2.gz RBFPCCSLIBRNIS-HUUCEWRRSA-N 1 0 303.431 3.133 10 0 DGAERO CC1(C)CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174288480 432335481 /nfs/dbraw/zinc/33/54/81/432335481.db2.gz BKLNYKMOUBUCCM-HNNXBMFYSA-N 1 0 307.482 3.083 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)Cc2cccs2)C12CCOCC2 ZINC000249062421 432335770 /nfs/dbraw/zinc/33/57/70/432335770.db2.gz YSQXPFKMQSRUDE-HYVNUMGLSA-N 1 0 323.502 3.491 10 0 DGAERO C[C@@H](CCSc1ccccc1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249048065 432336024 /nfs/dbraw/zinc/33/60/24/432336024.db2.gz WHNGMKMOTXCKNW-RDJZCZTQSA-N 1 0 307.459 3.049 10 0 DGAERO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2F)C1 ZINC000174348865 432339101 /nfs/dbraw/zinc/33/91/01/432339101.db2.gz ZXEGYSIZYBPRKI-QWHCGFSZSA-N 1 0 310.438 3.370 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](CCCSCC(C)C)CC2)nn1 ZINC000152551236 432339334 /nfs/dbraw/zinc/33/93/34/432339334.db2.gz XVCSWKUERMABMR-UHFFFAOYSA-N 1 0 322.522 3.076 10 0 DGAERO CCC(=O)CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000249115353 432340282 /nfs/dbraw/zinc/34/02/82/432340282.db2.gz WGTJZNZPYCMJDF-FUHWJXTLSA-N 1 0 302.462 3.341 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[C@](C)(c3ccccc3)C1)CC2 ZINC000249201926 432340825 /nfs/dbraw/zinc/34/08/25/432340825.db2.gz TYWSBBBHYMNELU-HLIPFELVSA-N 1 0 324.472 3.255 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CO2)CCN1Cc1ccccc1 ZINC000249191238 432340886 /nfs/dbraw/zinc/34/08/86/432340886.db2.gz OIBYGRFJDPLJKB-BHIYHBOVSA-N 1 0 300.446 3.322 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000249272838 432342482 /nfs/dbraw/zinc/34/24/82/432342482.db2.gz BUOHHZQRUMVYPP-HYVNUMGLSA-N 1 0 320.502 3.368 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000249291078 432344482 /nfs/dbraw/zinc/34/44/82/432344482.db2.gz VRBPMIDMFUFZGA-WFASDCNBSA-N 1 0 324.494 3.028 10 0 DGAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cccc(-n2ccnc2)c1 ZINC000249286973 432344722 /nfs/dbraw/zinc/34/47/22/432344722.db2.gz LUHGARSGVSARET-VHKYSDTDSA-N 1 0 319.408 3.181 10 0 DGAERO COC[C@@H](C)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184019552 432346105 /nfs/dbraw/zinc/34/61/05/432346105.db2.gz RLAHFJXYIBFIQF-RISCZKNCSA-N 1 0 303.324 3.114 10 0 DGAERO CC1(C[NH2+]Cc2cnc(-c3ccccc3)s2)OCCCO1 ZINC000192250382 432349866 /nfs/dbraw/zinc/34/98/66/432349866.db2.gz QTRRLLGPFXDZDE-UHFFFAOYSA-N 1 0 304.415 3.053 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3cocn3)cc2)C1 ZINC000192287132 432354050 /nfs/dbraw/zinc/35/40/50/432354050.db2.gz AHXGSSSZGYJOGU-IYBDPMFKSA-N 1 0 313.445 3.442 10 0 DGAERO O=C(NCCCC1CCCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173916376 432308189 /nfs/dbraw/zinc/30/81/89/432308189.db2.gz LVNITDSONKFYGB-KRWDZBQOSA-N 1 0 305.466 3.003 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC000152146820 432308792 /nfs/dbraw/zinc/30/87/92/432308792.db2.gz SPSXXBXMTOEHJW-OAHLLOKOSA-N 1 0 305.372 3.177 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)CC2(O)CCCC2)s1 ZINC000183618063 432310035 /nfs/dbraw/zinc/31/00/35/432310035.db2.gz LESQSLCVVYXEDH-UHFFFAOYSA-N 1 0 308.369 3.207 10 0 DGAERO O=C(NCCC1=CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000152181122 432311145 /nfs/dbraw/zinc/31/11/45/432311145.db2.gz UICNRJBSCQVHHY-KRWDZBQOSA-N 1 0 305.466 3.147 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)s1 ZINC000183633270 432311715 /nfs/dbraw/zinc/31/17/15/432311715.db2.gz RWMINZDTNYKHOH-UWVGGRQHSA-N 1 0 308.369 3.063 10 0 DGAERO CCOc1ccc([C@H](CC)[NH2+]Cc2ccnn2C)cc1OCC ZINC000152208553 432313322 /nfs/dbraw/zinc/31/33/22/432313322.db2.gz FCCZKGCMDQPSHR-INIZCTEOSA-N 1 0 317.433 3.458 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000174012236 432314306 /nfs/dbraw/zinc/31/43/06/432314306.db2.gz XVZDISUXQPEAPW-NEPJUHHUSA-N 1 0 312.360 3.347 10 0 DGAERO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248741394 432315820 /nfs/dbraw/zinc/31/58/20/432315820.db2.gz QVYANKHVDGIPHV-FXXCCUJSSA-N 1 0 301.430 3.046 10 0 DGAERO CN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252446142 432377042 /nfs/dbraw/zinc/37/70/42/432377042.db2.gz MYYRCOKBRXBECD-MAZHCROVSA-N 1 0 306.837 3.219 10 0 DGAERO Cc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1Cl ZINC000174932848 432380901 /nfs/dbraw/zinc/38/09/01/432380901.db2.gz OVEAETBTFYUGDU-ZDUSSCGKSA-N 1 0 307.825 3.350 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cncc(C)c2)C1 ZINC000184387692 432386044 /nfs/dbraw/zinc/38/60/44/432386044.db2.gz WTOGKPNPGBCSBE-DOTOQJQBSA-N 1 0 311.429 3.328 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000184391150 432386168 /nfs/dbraw/zinc/38/61/68/432386168.db2.gz KNLKWETUUMVNDS-QAPCUYQASA-N 1 0 315.461 3.222 10 0 DGAERO CC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000252658240 432386713 /nfs/dbraw/zinc/38/67/13/432386713.db2.gz YCGYBWVUSXXVKB-QAPCUYQASA-N 1 0 316.445 3.091 10 0 DGAERO C[C@@H](C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3)C[C@H](C)O ZINC000252671492 432386939 /nfs/dbraw/zinc/38/69/39/432386939.db2.gz VXSDPDVUXJALNG-GLJUWKHASA-N 1 0 303.446 3.386 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)o2)[C@@H](C)C1 ZINC000253146849 432387274 /nfs/dbraw/zinc/38/72/74/432387274.db2.gz ZHIFUHUIYRJCMR-AAEUAGOBSA-N 1 0 315.255 3.204 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)o2)[C@@H](C)C1 ZINC000253146851 432387817 /nfs/dbraw/zinc/38/78/17/432387817.db2.gz ZHIFUHUIYRJCMR-WCQYABFASA-N 1 0 315.255 3.204 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000175008833 432388183 /nfs/dbraw/zinc/38/81/83/432388183.db2.gz MSVVEPAVNJAGRI-CHWSQXEVSA-N 1 0 315.392 3.006 10 0 DGAERO Cc1cccc(S(=O)(=O)CCC[NH2+][C@H](C)C2CCCC2)c1 ZINC000184407948 432388199 /nfs/dbraw/zinc/38/81/99/432388199.db2.gz FDSGRXRFAOHYEL-OAHLLOKOSA-N 1 0 309.475 3.327 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3ccc(F)cc31)CC2 ZINC000175010836 432388307 /nfs/dbraw/zinc/38/83/07/432388307.db2.gz UKYOSZOYTIPONQ-HOCLYGCPSA-N 1 0 314.408 3.133 10 0 DGAERO Cn1c2ccc(C[NH2+]C[C@H]3CCc4ccccc43)cc2sc1=O ZINC000192578007 432389312 /nfs/dbraw/zinc/38/93/12/432389312.db2.gz RGRNHLRYASVJBY-OAHLLOKOSA-N 1 0 324.449 3.420 10 0 DGAERO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000192587642 432390870 /nfs/dbraw/zinc/39/08/70/432390870.db2.gz ZSYBXYSBYOCICR-ZIAGYGMSSA-N 1 0 302.443 3.412 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(s1)CCCC2 ZINC000175038079 432392188 /nfs/dbraw/zinc/39/21/88/432392188.db2.gz MGIWNVUKCGLUOY-HUUCEWRRSA-N 1 0 318.486 3.326 10 0 DGAERO Cc1ccccc1[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000175173291 432407553 /nfs/dbraw/zinc/40/75/53/432407553.db2.gz BVSHJDMSRMKEHK-YLJYHZDGSA-N 1 0 308.425 3.295 10 0 DGAERO CCc1csc([C@@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)n1 ZINC000184494509 432398755 /nfs/dbraw/zinc/39/87/55/432398755.db2.gz XUEIJMCNSNNPQV-QWHCGFSZSA-N 1 0 302.447 3.436 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)N(C)Cc1ccccc1 ZINC000192677309 432400433 /nfs/dbraw/zinc/40/04/33/432400433.db2.gz NKWMSKJHXJSLKT-ZIAGYGMSSA-N 1 0 302.443 3.446 10 0 DGAERO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000192703831 432401696 /nfs/dbraw/zinc/40/16/96/432401696.db2.gz RFKHOAJJDCZDNY-JKSUJKDBSA-N 1 0 314.433 3.294 10 0 DGAERO C[C@H]1CC[N@H+](CC(=O)N(C)CC2CC2)[C@@H]1c1cccc(F)c1 ZINC000175148028 432402741 /nfs/dbraw/zinc/40/27/41/432402741.db2.gz WDKSLKLNRCVPCF-UGSOOPFHSA-N 1 0 304.409 3.077 10 0 DGAERO CC(C)=C(F)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000153355082 432402923 /nfs/dbraw/zinc/40/29/23/432402923.db2.gz KSXVLBGPGBJCGH-CYBMUJFWSA-N 1 0 310.438 3.340 10 0 DGAERO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1cncs1 ZINC000184536418 432402860 /nfs/dbraw/zinc/40/28/60/432402860.db2.gz GCDUTHKAPJAEON-QGZVFWFLSA-N 1 0 303.475 3.389 10 0 DGAERO Cc1csc(=O)n1CC[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000175149842 432404352 /nfs/dbraw/zinc/40/43/52/432404352.db2.gz QBQNUWWLGDTEHK-BLLLJJGKSA-N 1 0 320.433 3.440 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCc3c2cccc3F)CC1 ZINC000184566692 432406492 /nfs/dbraw/zinc/40/64/92/432406492.db2.gz YRGRLBFTRICTQN-UHFFFAOYSA-N 1 0 319.424 3.018 10 0 DGAERO Cc1ccc2[nH]cc(CCC(=O)NC[C@H](C)[N@H+](C)C3CC3)c2c1 ZINC000174564747 432357397 /nfs/dbraw/zinc/35/73/97/432357397.db2.gz NXZDPVKKVMOQOK-AWEZNQCLSA-N 1 0 313.445 3.008 10 0 DGAERO CCc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(CC)CC)C2)n1 ZINC000249854080 432360348 /nfs/dbraw/zinc/36/03/48/432360348.db2.gz CTFCVWVMCRDOEO-ZIAGYGMSSA-N 1 0 323.506 3.142 10 0 DGAERO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1cocn1 ZINC000192330541 432360509 /nfs/dbraw/zinc/36/05/09/432360509.db2.gz KEGMSCGAVBYQIS-UHFFFAOYSA-N 1 0 303.431 3.144 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)c1ccc(F)c(CSC)c1 ZINC000174646731 432361248 /nfs/dbraw/zinc/36/12/48/432361248.db2.gz SVXPQYMIAISWPP-UHFFFAOYSA-N 1 0 312.454 3.150 10 0 DGAERO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250044852 432361961 /nfs/dbraw/zinc/36/19/61/432361961.db2.gz HPJVKQGRQABGAB-HZPDHXFCSA-N 1 0 321.461 3.049 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000249960323 432362690 /nfs/dbraw/zinc/36/26/90/432362690.db2.gz JNCKLBVWFZEXSU-BPQTVZERSA-N 1 0 308.425 3.058 10 0 DGAERO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192352258 432363055 /nfs/dbraw/zinc/36/30/55/432363055.db2.gz UDGVJNCUOMISCW-CKEIUWERSA-N 1 0 316.445 3.149 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000249920661 432363024 /nfs/dbraw/zinc/36/30/24/432363024.db2.gz YRSIZOFSLJJWSU-UKRRQHHQSA-N 1 0 302.397 3.378 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000174670712 432363522 /nfs/dbraw/zinc/36/35/22/432363522.db2.gz UUNCNMWCPKQKAW-UHFFFAOYSA-N 1 0 317.477 3.139 10 0 DGAERO O[C@@H](CNc1ccnc2ccc(Cl)cc21)C[NH+]1CCCCC1 ZINC000174685057 432364646 /nfs/dbraw/zinc/36/46/46/432364646.db2.gz RVBVWUGAXXTBPU-AWEZNQCLSA-N 1 0 319.836 3.147 10 0 DGAERO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]Cc2cc(C(N)=O)co2)C1 ZINC000250145360 432365052 /nfs/dbraw/zinc/36/50/52/432365052.db2.gz ZSYJLIFOULYMTN-LXZKKBNFSA-N 1 0 312.413 3.441 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000152931544 432367823 /nfs/dbraw/zinc/36/78/23/432367823.db2.gz WISUDWYDWJKRRE-IBGZPJMESA-N 1 0 323.440 3.239 10 0 DGAERO Cc1cc(C)nc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000184220963 432368171 /nfs/dbraw/zinc/36/81/71/432368171.db2.gz BGXZLTBCZMVCLA-INIZCTEOSA-N 1 0 312.417 3.123 10 0 DGAERO CCCC[C@H]([NH2+]CCc1ccsc1)C(=O)Nc1cc(C)on1 ZINC000152947228 432369811 /nfs/dbraw/zinc/36/98/11/432369811.db2.gz DCBFMZTZCPJAOJ-AWEZNQCLSA-N 1 0 321.446 3.374 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000174780712 432370879 /nfs/dbraw/zinc/37/08/79/432370879.db2.gz YIYQYTMLGWURAW-APWZRJJASA-N 1 0 312.461 3.034 10 0 DGAERO c1cc2c(c(C[N@@H+]3CCC[C@@H](c4noc(C5CC5)n4)C3)c1)NCC2 ZINC000261642281 432436679 /nfs/dbraw/zinc/43/66/79/432436679.db2.gz AIMXMNOMSOPVFR-MRXNPFEDSA-N 1 0 324.428 3.295 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cc1OC ZINC000153728239 432437048 /nfs/dbraw/zinc/43/70/48/432437048.db2.gz GMAFAUQUFQEAQE-LZWOXQAQSA-N 1 0 307.434 3.214 10 0 DGAERO Cc1cc(Br)cc2c1CN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261642469 432437943 /nfs/dbraw/zinc/43/79/43/432437943.db2.gz AKSXAKIZTHOMJX-CYBMUJFWSA-N 1 0 323.278 3.115 10 0 DGAERO C[NH2+]C1CCN(Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000261681686 432441386 /nfs/dbraw/zinc/44/13/86/432441386.db2.gz GUPWNHFDTKRUEK-UHFFFAOYSA-N 1 0 304.768 3.125 10 0 DGAERO CCSc1cccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261733105 432444199 /nfs/dbraw/zinc/44/41/99/432444199.db2.gz OORNCRSXYOEVGB-SFHVURJKSA-N 1 0 313.470 3.340 10 0 DGAERO CC(C)C[C@H](C)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000184913475 432444465 /nfs/dbraw/zinc/44/44/65/432444465.db2.gz RFYZZBKPVOJIMG-HNNXBMFYSA-N 1 0 318.461 3.264 10 0 DGAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(F)c(F)c1 ZINC000261727232 432444943 /nfs/dbraw/zinc/44/49/43/432444943.db2.gz LOGHGWDNFAALCN-QGZVFWFLSA-N 1 0 318.367 3.120 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000184927003 432445741 /nfs/dbraw/zinc/44/57/41/432445741.db2.gz GVRLUIGLQJCNOA-KSZLIROESA-N 1 0 300.446 3.232 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NCCC[NH+]1CCCCC1 ZINC000184925247 432445996 /nfs/dbraw/zinc/44/59/96/432445996.db2.gz KMQABQDTEWPZHV-UHFFFAOYSA-N 1 0 300.402 3.347 10 0 DGAERO Fc1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261737513 432446728 /nfs/dbraw/zinc/44/67/28/432446728.db2.gz OWFREILRQMEXRP-INIZCTEOSA-N 1 0 305.784 3.021 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000184940198 432447688 /nfs/dbraw/zinc/44/76/88/432447688.db2.gz JYFWFSMRLSFZRI-SQNIBIBYSA-N 1 0 300.446 3.059 10 0 DGAERO CSc1cccc(C)c1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000184962986 432449460 /nfs/dbraw/zinc/44/94/60/432449460.db2.gz MPKAAHUJQSANML-UHFFFAOYSA-N 1 0 307.463 3.275 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)on2)cn1 ZINC000184973478 432450023 /nfs/dbraw/zinc/45/00/23/432450023.db2.gz SAMRHHSQLHKSDU-KRWDZBQOSA-N 1 0 322.412 3.282 10 0 DGAERO CCC[C@H](C(=O)Nc1cc(-c2ccccc2C)nn1C)[NH+](C)C ZINC000193116931 432450190 /nfs/dbraw/zinc/45/01/90/432450190.db2.gz SZVSWTHCLHDFEK-MRXNPFEDSA-N 1 0 314.433 3.064 10 0 DGAERO CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261789907 432450919 /nfs/dbraw/zinc/45/09/19/432450919.db2.gz KUBYJPHFUHGROG-BFZKSOEOSA-N 1 0 318.848 3.185 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC(=O)Nc1ccccc1 ZINC000193112581 432450949 /nfs/dbraw/zinc/45/09/49/432450949.db2.gz ZGVHIJAMWYNSIE-NWDGAFQWSA-N 1 0 317.414 3.136 10 0 DGAERO C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261790043 432451392 /nfs/dbraw/zinc/45/13/92/432451392.db2.gz UJJYGWVDXGHGFS-LRDDRELGSA-N 1 0 320.408 3.005 10 0 DGAERO CC(C)(NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000153888912 432453425 /nfs/dbraw/zinc/45/34/25/432453425.db2.gz TUCZQLHGMAJLQG-KOLCDFICSA-N 1 0 315.244 3.472 10 0 DGAERO CC(C)(NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000153889075 432453881 /nfs/dbraw/zinc/45/38/81/432453881.db2.gz TUCZQLHGMAJLQG-MWLCHTKSSA-N 1 0 315.244 3.472 10 0 DGAERO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185005535 432455776 /nfs/dbraw/zinc/45/57/76/432455776.db2.gz IAXRVKQGXYAMDS-GOEBONIOSA-N 1 0 322.412 3.453 10 0 DGAERO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185027435 432457601 /nfs/dbraw/zinc/45/76/01/432457601.db2.gz CDQBMUGMKATLSF-CXAGYDPISA-N 1 0 302.422 3.476 10 0 DGAERO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(-c3cnn(C)c3)no2)n1 ZINC000185026879 432457724 /nfs/dbraw/zinc/45/77/24/432457724.db2.gz GCPZTPNBYWZXSH-GOSISDBHSA-N 1 0 323.400 3.116 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000193219006 432457841 /nfs/dbraw/zinc/45/78/41/432457841.db2.gz SCQSHUUBTBTUAW-CABCVRRESA-N 1 0 316.470 3.455 10 0 DGAERO c1c2ccccc2sc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261920625 432459851 /nfs/dbraw/zinc/45/98/51/432459851.db2.gz KFTYZSFJUFXXCY-GVDBMIGSSA-N 1 0 316.470 3.148 10 0 DGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2C[C@H]2c2ccco2)C1 ZINC000255079107 432408235 /nfs/dbraw/zinc/40/82/35/432408235.db2.gz LVGUAELAFVGCCA-KFWWJZLASA-N 1 0 304.434 3.010 10 0 DGAERO Clc1ccc(/C=C\C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000255571570 432410888 /nfs/dbraw/zinc/41/08/88/432410888.db2.gz FVKKOPFIUCQGBT-SSCKWRJFSA-N 1 0 302.809 3.282 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC000184633687 432414964 /nfs/dbraw/zinc/41/49/64/432414964.db2.gz HGBBEDSKSLYGDY-HNNXBMFYSA-N 1 0 315.461 3.394 10 0 DGAERO COc1ccccc1-c1nnc(C[NH2+][C@H](C)C2CCCC2)o1 ZINC000184641216 432415605 /nfs/dbraw/zinc/41/56/05/432415605.db2.gz FCJPSEOMGWREKK-GFCCVEGCSA-N 1 0 301.390 3.414 10 0 DGAERO C[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C1CCCC1 ZINC000184642395 432416031 /nfs/dbraw/zinc/41/60/31/432416031.db2.gz OPSBJUVOMDTAMD-JTQLQIEISA-N 1 0 317.458 3.142 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)CCC2 ZINC000192810617 432416349 /nfs/dbraw/zinc/41/63/49/432416349.db2.gz AZFZAHXKAXZMDQ-DNVCBOLYSA-N 1 0 322.456 3.285 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)C1CCCC1 ZINC000184663758 432417383 /nfs/dbraw/zinc/41/73/83/432417383.db2.gz IBLAMYVCZQIYQM-DZGCQCFKSA-N 1 0 302.418 3.076 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1 ZINC000192815355 432419411 /nfs/dbraw/zinc/41/94/11/432419411.db2.gz QTAXDVCYDFSSOO-DLBZAZTESA-N 1 0 314.408 3.325 10 0 DGAERO CCC[C@@H](C)[NH+]1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000192847703 432421007 /nfs/dbraw/zinc/42/10/07/432421007.db2.gz BBINPNKFIBKHPW-OAHLLOKOSA-N 1 0 312.498 3.303 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000185156810 432471439 /nfs/dbraw/zinc/47/14/39/432471439.db2.gz CJBSSXDGGPHOPR-LSDHHAIUSA-N 1 0 324.415 3.147 10 0 DGAERO CC[C@H](CC(=O)N1CCNC[C@H]1c1ccccc1OC)C(C)C ZINC000262044825 432471776 /nfs/dbraw/zinc/47/17/76/432471776.db2.gz UITUNUMDJMNPTI-WBVHZDCISA-N 1 0 318.461 3.240 10 0 DGAERO Cc1ccc(C)c(OCCc2nc(-c3ccc(C[NH3+])cc3)no2)c1 ZINC000262057782 432472224 /nfs/dbraw/zinc/47/22/24/432472224.db2.gz QUQIXZFZUQJHIG-UHFFFAOYSA-N 1 0 323.396 3.434 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1F ZINC000154123990 432475388 /nfs/dbraw/zinc/47/53/88/432475388.db2.gz KJUWYOZDPVMKLK-CQSZACIVSA-N 1 0 321.417 3.259 10 0 DGAERO CN(Cc1ccc(F)cc1Br)C[C@@]1(C)CC[NH2+]C1 ZINC000262126982 432475890 /nfs/dbraw/zinc/47/58/90/432475890.db2.gz XTIUITFHJBPKDP-AWEZNQCLSA-N 1 0 315.230 3.020 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000185200300 432476415 /nfs/dbraw/zinc/47/64/15/432476415.db2.gz BUOHHZQRUMVYPP-XIRDDKMYSA-N 1 0 320.502 3.368 10 0 DGAERO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(F)cc1F ZINC000175946243 432480809 /nfs/dbraw/zinc/48/08/09/432480809.db2.gz GSSAAFMJXYQUPI-QGZVFWFLSA-N 1 0 318.367 3.306 10 0 DGAERO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262319973 432482136 /nfs/dbraw/zinc/48/21/36/432482136.db2.gz CEVUHFFVWLXOKY-YUTCNCBUSA-N 1 0 323.506 3.482 10 0 DGAERO CCCCOc1ccccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000193580546 432482619 /nfs/dbraw/zinc/48/26/19/432482619.db2.gz XJLVEIYMYGLTTA-UHFFFAOYSA-N 1 0 319.449 3.423 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCCC2=CCCCCC2)CC[N@@H+]1C ZINC000185265729 432484695 /nfs/dbraw/zinc/48/46/95/432484695.db2.gz KAIVUAPOJZPKFI-DOTOQJQBSA-N 1 0 307.482 3.391 10 0 DGAERO C[C@@H](CNC(=O)C/C=C/c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000176022809 432486852 /nfs/dbraw/zinc/48/68/52/432486852.db2.gz ARHFTJQFJJVELO-DBLORFJXSA-N 1 0 318.436 3.466 10 0 DGAERO CSCc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000176010465 432487327 /nfs/dbraw/zinc/48/73/27/432487327.db2.gz XBJSJMXCYMPUGW-XJKSGUPXSA-N 1 0 321.490 3.496 10 0 DGAERO Fc1cc(C[NH2+]CCCOC(F)F)ccc1Br ZINC000193659352 432488368 /nfs/dbraw/zinc/48/83/68/432488368.db2.gz FJBZMCYTVPDBDL-UHFFFAOYSA-N 1 0 312.129 3.307 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC(C)(C)C)cc2)C1 ZINC000176029882 432488846 /nfs/dbraw/zinc/48/88/46/432488846.db2.gz NQYIKDQKWJKVNU-HNNXBMFYSA-N 1 0 304.434 3.078 10 0 DGAERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1Cl ZINC000262568373 432491083 /nfs/dbraw/zinc/49/10/83/432491083.db2.gz XBVHXXKYRPEJEF-SUYBPPKGSA-N 1 0 322.836 3.119 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262590747 432493389 /nfs/dbraw/zinc/49/33/89/432493389.db2.gz DEHQHUXJVTVHHK-HRCADAONSA-N 1 0 308.853 3.275 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC(Cn2ccnn2)CC1 ZINC000185361079 432494514 /nfs/dbraw/zinc/49/45/14/432494514.db2.gz IMICAXGYMJJJIV-UHFFFAOYSA-N 1 0 321.428 3.360 10 0 DGAERO C[C@H]1CCC[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193746683 432494624 /nfs/dbraw/zinc/49/46/24/432494624.db2.gz SIQHGBYRSWZXMS-WMZOPIPTSA-N 1 0 321.509 3.330 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262642360 432496620 /nfs/dbraw/zinc/49/66/20/432496620.db2.gz JFGOUTMLHBAWDH-YVEFUNNKSA-N 1 0 316.376 3.020 10 0 DGAERO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(C)n1C1CCCCC1 ZINC000262763764 432500464 /nfs/dbraw/zinc/50/04/64/432500464.db2.gz KVPUXJQFXMDJDS-UGSOOPFHSA-N 1 0 317.477 3.338 10 0 DGAERO CSc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000193814859 432500955 /nfs/dbraw/zinc/50/09/55/432500955.db2.gz JTFHSEKFJZPFDQ-AWEZNQCLSA-N 1 0 321.490 3.082 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CCC([NH+](C)C)CC2)c1C ZINC000193809328 432501027 /nfs/dbraw/zinc/50/10/27/432501027.db2.gz HUBRZOSXWNDOSA-UHFFFAOYSA-N 1 0 302.462 3.340 10 0 DGAERO C[C@@H]1CN(C(=O)c2cccc(-c3c(F)cccc3F)c2)CC[NH2+]1 ZINC000262769520 432501354 /nfs/dbraw/zinc/50/13/54/432501354.db2.gz IMBRSVAURAZLQA-GFCCVEGCSA-N 1 0 316.351 3.066 10 0 DGAERO C[NH+](C)C1CCN(Cc2csc(Nc3ccccc3)n2)CC1 ZINC000193810272 432501531 /nfs/dbraw/zinc/50/15/31/432501531.db2.gz FAAXLNZLSSFPLF-UHFFFAOYSA-N 1 0 316.474 3.413 10 0 DGAERO C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC000176243524 432502677 /nfs/dbraw/zinc/50/26/77/432502677.db2.gz GBHNUIKLZNTUNL-CQSZACIVSA-N 1 0 305.466 3.248 10 0 DGAERO CCCCN(C(=O)C[C@H](C[NH3+])OC)[C@@H](CC)c1ccccc1 ZINC000262854470 432505042 /nfs/dbraw/zinc/50/50/42/432505042.db2.gz KKIJMCPZJLLEPD-SJORKVTESA-N 1 0 306.450 3.130 10 0 DGAERO Cc1[nH]c2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2c1C ZINC000262846142 432505915 /nfs/dbraw/zinc/50/59/15/432505915.db2.gz JKURVXZCQMRHEN-GOSISDBHSA-N 1 0 321.424 3.491 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)ccc1OC(F)F ZINC000154542190 432506191 /nfs/dbraw/zinc/50/61/91/432506191.db2.gz IGPBRJMPQYHAMN-YPMHNXCESA-N 1 0 314.376 3.041 10 0 DGAERO COCCN1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C[C@@H]1C ZINC000185510791 432507039 /nfs/dbraw/zinc/50/70/39/432507039.db2.gz DOJAMOIOBFGYAF-NFOMZHRRSA-N 1 0 322.415 3.008 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000176305400 432509569 /nfs/dbraw/zinc/50/95/69/432509569.db2.gz DKBQOXIUZUCSQN-LBPRGKRZSA-N 1 0 313.804 3.427 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000176305388 432510818 /nfs/dbraw/zinc/51/08/18/432510818.db2.gz DKBQOXIUZUCSQN-GFCCVEGCSA-N 1 0 313.804 3.427 10 0 DGAERO C[C@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)[C@@H](C)c1ccccc1 ZINC000185057341 432460077 /nfs/dbraw/zinc/46/00/77/432460077.db2.gz IBUXYCYOCQCSIA-KGLIPLIRSA-N 1 0 310.401 3.357 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCCCn2ccnc2C)ccc1F ZINC000153973439 432460548 /nfs/dbraw/zinc/46/05/48/432460548.db2.gz HFKHEKLOPKKNKD-ZDUSSCGKSA-N 1 0 305.397 3.470 10 0 DGAERO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2C(C)C)c1 ZINC000185045073 432460889 /nfs/dbraw/zinc/46/08/89/432460889.db2.gz LIVVHBIQPYHVSD-QZTJIDSGSA-N 1 0 302.462 3.437 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000185060233 432461537 /nfs/dbraw/zinc/46/15/37/432461537.db2.gz TZHACAWWRSGBEX-AWEZNQCLSA-N 1 0 302.418 3.447 10 0 DGAERO CC[C@@H](OC1CCCCC1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000154003013 432462223 /nfs/dbraw/zinc/46/22/23/432462223.db2.gz FCVNZFROMBRFMJ-GOSISDBHSA-N 1 0 322.493 3.201 10 0 DGAERO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)Cc1cccs1 ZINC000175765497 432463582 /nfs/dbraw/zinc/46/35/82/432463582.db2.gz SMQWOBUZMSHBAJ-ZNMIVQPWSA-N 1 0 323.506 3.051 10 0 DGAERO CCOc1ccccc1CCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000175793822 432466312 /nfs/dbraw/zinc/46/63/12/432466312.db2.gz MRNMJPIDUWLZIL-OAHLLOKOSA-N 1 0 320.477 3.110 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2nnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000155308197 432549117 /nfs/dbraw/zinc/54/91/17/432549117.db2.gz ALRDGRKYDRCCDL-DZGCQCFKSA-N 1 0 316.474 3.120 10 0 DGAERO Cc1ccc(-c2ccc(CN[C@H]3CCCn4ncnc43)o2)cc1 ZINC000176800341 432554118 /nfs/dbraw/zinc/55/41/18/432554118.db2.gz BGYBYJWBSPRYHX-INIZCTEOSA-N 1 0 308.385 3.471 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000155439974 432555261 /nfs/dbraw/zinc/55/52/61/432555261.db2.gz RBSACRKNWBRDER-CVEARBPZSA-N 1 0 319.449 3.309 10 0 DGAERO CCC[N@H+](CCc1cccs1)Cc1c(C)nn(C)c1OC ZINC000185586664 432513479 /nfs/dbraw/zinc/51/34/79/432513479.db2.gz HDLXZIYXHWMNED-UHFFFAOYSA-N 1 0 307.463 3.253 10 0 DGAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CC3CCCCCC3)CC2)CCO1 ZINC000176344447 432513508 /nfs/dbraw/zinc/51/35/08/432513508.db2.gz QGAICEURLZOKDQ-MRXNPFEDSA-N 1 0 322.493 3.059 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3ncsc3c2)C1 ZINC000176371707 432516530 /nfs/dbraw/zinc/51/65/30/432516530.db2.gz ANHVUNUHALLZGQ-RISCZKNCSA-N 1 0 318.446 3.147 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c(OC)c1 ZINC000176390965 432517769 /nfs/dbraw/zinc/51/77/69/432517769.db2.gz QNTRFOZDMVZOOM-HNNXBMFYSA-N 1 0 305.418 3.285 10 0 DGAERO CCCn1cc(CNC(C)(C)c2nc3ccccc3n2C)cn1 ZINC000185641916 432517798 /nfs/dbraw/zinc/51/77/98/432517798.db2.gz XDFVDYINLRYYBM-UHFFFAOYSA-N 1 0 311.433 3.205 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176391891 432518042 /nfs/dbraw/zinc/51/80/42/432518042.db2.gz KTJBGDDJQUTQRV-HNNXBMFYSA-N 1 0 309.498 3.375 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2ccccc2)s1 ZINC000154742148 432518768 /nfs/dbraw/zinc/51/87/68/432518768.db2.gz NTUWGFJRUWYKJZ-GOEBONIOSA-N 1 0 313.470 3.479 10 0 DGAERO CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263174485 432524590 /nfs/dbraw/zinc/52/45/90/432524590.db2.gz GAUMPZGTDHOUSX-BBRMVZONSA-N 1 0 312.816 3.345 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(C)oc2ccccc21 ZINC000185730689 432528391 /nfs/dbraw/zinc/52/83/91/432528391.db2.gz YATNKBFGTJSVCQ-HUUCEWRRSA-N 1 0 312.413 3.440 10 0 DGAERO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)cc1F ZINC000154917751 432529192 /nfs/dbraw/zinc/52/91/92/432529192.db2.gz SOHQYYFCFATPSK-MLGOLLRUSA-N 1 0 324.827 3.344 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000185753202 432530556 /nfs/dbraw/zinc/53/05/56/432530556.db2.gz AXZSREMPISWHCA-HUUCEWRRSA-N 1 0 314.433 3.300 10 0 DGAERO CCc1cnccc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000154953811 432530771 /nfs/dbraw/zinc/53/07/71/432530771.db2.gz IBOFXZVRKWOTGL-HOTGVXAUSA-N 1 0 317.477 3.132 10 0 DGAERO CC(C)[C@H](C)CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194193475 432532289 /nfs/dbraw/zinc/53/22/89/432532289.db2.gz MMXGFEQVQKJGHB-AEFFLSMTSA-N 1 0 317.477 3.100 10 0 DGAERO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194270660 432537394 /nfs/dbraw/zinc/53/73/94/432537394.db2.gz WWAYPXAYCPDPGA-UHFFFAOYSA-N 1 0 300.406 3.162 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000194325473 432541839 /nfs/dbraw/zinc/54/18/39/432541839.db2.gz LPJYPFBKAYFMQF-NVXWUHKLSA-N 1 0 307.482 3.083 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000194325441 432542079 /nfs/dbraw/zinc/54/20/79/432542079.db2.gz LPJYPFBKAYFMQF-WBVHZDCISA-N 1 0 307.482 3.083 10 0 DGAERO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc3ncccc32)CC1 ZINC000194336861 432542977 /nfs/dbraw/zinc/54/29/77/432542977.db2.gz PTMACNWFXFDLTQ-UHFFFAOYSA-N 1 0 311.429 3.228 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000155240960 432545660 /nfs/dbraw/zinc/54/56/60/432545660.db2.gz CRFIMNGAQQLAKG-DQPZFDDXSA-N 1 0 306.837 3.364 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1)CS(C)(=O)=O ZINC000185949662 432547811 /nfs/dbraw/zinc/54/78/11/432547811.db2.gz KQMVESMFSXJHOG-CVEARBPZSA-N 1 0 323.502 3.157 10 0 DGAERO COc1cccc([C@H](C)CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000177298287 432609162 /nfs/dbraw/zinc/60/91/62/432609162.db2.gz JJVNFXCTYPDPQS-INMHGKMJSA-N 1 0 318.461 3.130 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000186568923 432609382 /nfs/dbraw/zinc/60/93/82/432609382.db2.gz VRBPMIDMFUFZGA-IUODEOHRSA-N 1 0 324.494 3.028 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)NC(C2CC2)C2CC2)cc1 ZINC000156896496 432609856 /nfs/dbraw/zinc/60/98/56/432609856.db2.gz BAOHFUVRFKHREK-HNNXBMFYSA-N 1 0 314.473 3.163 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)c2ccccc21 ZINC000186583291 432610185 /nfs/dbraw/zinc/61/01/85/432610185.db2.gz SDBSZERWWKVNIA-PBHICJAKSA-N 1 0 303.450 3.218 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000156871530 432610430 /nfs/dbraw/zinc/61/04/30/432610430.db2.gz WMLGCHZCHKFSNS-HNNXBMFYSA-N 1 0 320.481 3.221 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000195178159 432610639 /nfs/dbraw/zinc/61/06/39/432610639.db2.gz MXYDLCKAXBMBNO-YXJHDRRASA-N 1 0 309.425 3.181 10 0 DGAERO Cn1cc([C@H]([NH2+][C@@H]2CCCSC2)c2ccc(F)cc2)cn1 ZINC000186649802 432618081 /nfs/dbraw/zinc/61/80/81/432618081.db2.gz SXLURHKIDVTAMW-HZPDHXFCSA-N 1 0 305.422 3.134 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1cccc2ccccc21)CN1CCOCC1 ZINC000177357620 432615979 /nfs/dbraw/zinc/61/59/79/432615979.db2.gz LPQITOQCYGDMPV-IRXDYDNUSA-N 1 0 312.457 3.459 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC000155700141 432568143 /nfs/dbraw/zinc/56/81/43/432568143.db2.gz LCTLBKNDERUKCD-CPUCHLNUSA-N 1 0 306.425 3.164 10 0 DGAERO CCSc1cccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000186215592 432568977 /nfs/dbraw/zinc/56/89/77/432568977.db2.gz ZLTHGZXZQHHRCW-HNNXBMFYSA-N 1 0 302.447 3.227 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC000155757165 432570368 /nfs/dbraw/zinc/57/03/68/432570368.db2.gz CGMDIWLTIYJNSJ-BEFAXECRSA-N 1 0 310.441 3.227 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc2ccc(C)nc21 ZINC000177003814 432574039 /nfs/dbraw/zinc/57/40/39/432574039.db2.gz UDOAUUOZXCWWMK-MRXNPFEDSA-N 1 0 311.429 3.100 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000177007613 432574881 /nfs/dbraw/zinc/57/48/81/432574881.db2.gz QLGGHSUEMAYIRU-MRXNPFEDSA-N 1 0 305.466 3.242 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000177012940 432575220 /nfs/dbraw/zinc/57/52/20/432575220.db2.gz SEDWEFBNCRNUDW-HLLBOEOZSA-N 1 0 318.461 3.419 10 0 DGAERO CN(C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000186271715 432575659 /nfs/dbraw/zinc/57/56/59/432575659.db2.gz HIMBQFGEFGWCMK-SFHVURJKSA-N 1 0 315.461 3.091 10 0 DGAERO COCCn1c(C)c(C)nc1SCc1cnc2ccccn12 ZINC000155929517 432582572 /nfs/dbraw/zinc/58/25/72/432582572.db2.gz RNLGWHGDLAHZMZ-UHFFFAOYSA-N 1 0 316.430 3.086 10 0 DGAERO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000177080891 432583647 /nfs/dbraw/zinc/58/36/47/432583647.db2.gz JOQFZQBTCJBGGU-OAHLLOKOSA-N 1 0 317.364 3.167 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000177091197 432584678 /nfs/dbraw/zinc/58/46/78/432584678.db2.gz RPCGQOXVJMZHET-ZYHUDNBSSA-N 1 0 311.788 3.180 10 0 DGAERO Cc1cnc(CC[N@H+](C)CCCc2ccc3c(c2)CCO3)s1 ZINC000186421761 432592566 /nfs/dbraw/zinc/59/25/66/432592566.db2.gz HZDXTRCEVBRZIW-UHFFFAOYSA-N 1 0 316.470 3.494 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2c(C)cccc2C)C12CCOCC2 ZINC000186422086 432594472 /nfs/dbraw/zinc/59/44/72/432594472.db2.gz ZVDMXUFCWPTCEA-MOPGFXCFSA-N 1 0 317.473 3.410 10 0 DGAERO Cn1c2ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cc2sc1=O ZINC000195022958 432594590 /nfs/dbraw/zinc/59/45/90/432594590.db2.gz FUZCJYVYWUVXLT-ZIAGYGMSSA-N 1 0 302.443 3.222 10 0 DGAERO CSCC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000195028006 432594623 /nfs/dbraw/zinc/59/46/23/432594623.db2.gz IDDCWNQRJIUZIW-LLVKDONJSA-N 1 0 310.488 3.173 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCc2c(C)cccc2C)C12CCOCC2 ZINC000186422060 432595048 /nfs/dbraw/zinc/59/50/48/432595048.db2.gz ZVDMXUFCWPTCEA-OALUTQOASA-N 1 0 317.473 3.410 10 0 DGAERO O=C(c1ccc(C(F)(F)F)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000195075489 432599720 /nfs/dbraw/zinc/59/97/20/432599720.db2.gz WUXWNIWNKVSQAV-CQSZACIVSA-N 1 0 312.335 3.016 10 0 DGAERO Cn1c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)ccc1-c1ccccc1 ZINC000186504389 432602747 /nfs/dbraw/zinc/60/27/47/432602747.db2.gz PLESRCRCKPUKQH-INIZCTEOSA-N 1 0 323.440 3.049 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc(C(C)C)cs1 ZINC000177248719 432603771 /nfs/dbraw/zinc/60/37/71/432603771.db2.gz MYQTXDPNCVQUSA-OLZOCXBDSA-N 1 0 322.478 3.357 10 0 DGAERO CCC[N@H+](Cc1nnc(C)n1CC)[C@H]1CCc2ccccc2C1 ZINC000195108179 432604358 /nfs/dbraw/zinc/60/43/58/432604358.db2.gz HHPCQIWPYSVOCV-SFHVURJKSA-N 1 0 312.461 3.376 10 0 DGAERO O=C(c1cc2cc(Cl)ccc2o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195320979 432619465 /nfs/dbraw/zinc/61/94/65/432619465.db2.gz PCPYVARIAQZQCP-ZDUSSCGKSA-N 1 0 304.777 3.006 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](CCCOc3ccccc3)C2)no1 ZINC000195517895 432625799 /nfs/dbraw/zinc/62/57/99/432625799.db2.gz MIYIOSVBJDFOFO-INIZCTEOSA-N 1 0 315.417 3.102 10 0 DGAERO Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(C)n1C1CCCCC1 ZINC000186727054 432626730 /nfs/dbraw/zinc/62/67/30/432626730.db2.gz AWVLTHUBMJVPLD-UGSOOPFHSA-N 1 0 317.477 3.338 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(CC)cc2)CC1 ZINC000157644815 432627203 /nfs/dbraw/zinc/62/72/03/432627203.db2.gz WTVHAKJQIHZBAF-UHFFFAOYSA-N 1 0 303.450 3.493 10 0 DGAERO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CC1(CO)CC1 ZINC000186778772 432629774 /nfs/dbraw/zinc/62/97/74/432629774.db2.gz PBARTVHVLBJHJX-NSHDSACASA-N 1 0 303.324 3.351 10 0 DGAERO C[N@H+](CCOc1ccc(Cl)cc1Cl)CC1(CO)CC1 ZINC000186783321 432629909 /nfs/dbraw/zinc/62/99/09/432629909.db2.gz ANXAJYFOLWFNIM-UHFFFAOYSA-N 1 0 304.217 3.077 10 0 DGAERO CCc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)cc1 ZINC000177503331 432630560 /nfs/dbraw/zinc/63/05/60/432630560.db2.gz MENKBXPCQBHYRG-IRXDYDNUSA-N 1 0 301.434 3.340 10 0 DGAERO CCC1CCC(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000157873393 432630919 /nfs/dbraw/zinc/63/09/19/432630919.db2.gz YXZPXSUDWREWJK-CGZBRXJRSA-N 1 0 309.498 3.232 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000186875952 432635233 /nfs/dbraw/zinc/63/52/33/432635233.db2.gz UXJCPQWKUQKFMT-IRXDYDNUSA-N 1 0 313.445 3.434 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](CC)c2nccs2)CC1 ZINC000158296215 432642085 /nfs/dbraw/zinc/64/20/85/432642085.db2.gz MGXLQOAOYJBBME-AWEZNQCLSA-N 1 0 324.494 3.015 10 0 DGAERO CSCc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1F ZINC000177609883 432642749 /nfs/dbraw/zinc/64/27/49/432642749.db2.gz GUTZXLXINQRAQX-LSDHHAIUSA-N 1 0 324.465 3.291 10 0 DGAERO Cc1cc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1Cl ZINC000187059296 432644847 /nfs/dbraw/zinc/64/48/47/432644847.db2.gz IFUUBBMGZMSTJM-OAHLLOKOSA-N 1 0 321.852 3.028 10 0 DGAERO CNC(=O)Cc1nc(C[N@@H+]2CCCCC[C@H]2CC(C)C)cs1 ZINC000177653882 432646478 /nfs/dbraw/zinc/64/64/78/432646478.db2.gz QVJGULGDDCFRCX-HNNXBMFYSA-N 1 0 323.506 3.222 10 0 DGAERO CC(C)[NH2+]C[C@H](O)COc1ccccc1[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000215993123 432647430 /nfs/dbraw/zinc/64/74/30/432647430.db2.gz NACJSVRGPPMZRS-DFGXFYAUSA-N 1 0 303.446 3.328 10 0 DGAERO CCCN(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157394923 432618227 /nfs/dbraw/zinc/61/82/27/432618227.db2.gz FBWHLBIGRHWATR-SFHVURJKSA-N 1 0 303.450 3.093 10 0 DGAERO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195317646 432618716 /nfs/dbraw/zinc/61/87/16/432618716.db2.gz ZPRRJWDHZUQZIF-HNNXBMFYSA-N 1 0 314.360 3.006 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1c3ccccc3C[C@H]1O)CCC2 ZINC000246842375 282045917 /nfs/dbraw/zinc/04/59/17/282045917.db2.gz BSCXKBOZEOQRHD-BZUAXINKSA-N 1 0 300.427 3.077 10 0 DGAERO C[C@@H](NC(=O)CSC(C)(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187194840 432651767 /nfs/dbraw/zinc/65/17/67/432651767.db2.gz FXUQIWDUJYGMSM-CJNGLKHVSA-N 1 0 308.491 3.326 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000177746804 432657382 /nfs/dbraw/zinc/65/73/82/432657382.db2.gz HQRRIKKNFJYOLS-AWEZNQCLSA-N 1 0 323.444 3.116 10 0 DGAERO C[N@H+](Cc1nc2cc(F)ccc2o1)CC1(O)CCCCCC1 ZINC000187342671 432658665 /nfs/dbraw/zinc/65/86/65/432658665.db2.gz XVANAXSIOJCROE-UHFFFAOYSA-N 1 0 306.381 3.484 10 0 DGAERO OCC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccnc1Cl ZINC000218572575 432660401 /nfs/dbraw/zinc/66/04/01/432660401.db2.gz PGKILIFZPJTCQM-DOTOQJQBSA-N 1 0 316.832 3.333 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000159119319 432669807 /nfs/dbraw/zinc/66/98/07/432669807.db2.gz DGAGCUFWEHXEFE-PBHICJAKSA-N 1 0 319.424 3.336 10 0 DGAERO CCc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000158922824 432662095 /nfs/dbraw/zinc/66/20/95/432662095.db2.gz XVOWICJNBSMVMS-ZDUSSCGKSA-N 1 0 307.413 3.194 10 0 DGAERO C[C@H](c1cccs1)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000219461017 432664708 /nfs/dbraw/zinc/66/47/08/432664708.db2.gz YAIVUNDIDNUXPR-GDBMZVCRSA-N 1 0 305.443 3.319 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)[C@@H](C)C1 ZINC000158966288 432665229 /nfs/dbraw/zinc/66/52/29/432665229.db2.gz CHEYDJWKWAHWPM-YOEHRIQHSA-N 1 0 318.436 3.092 10 0 DGAERO Cc1ccc2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)ccc2n1 ZINC000159050408 432667708 /nfs/dbraw/zinc/66/77/08/432667708.db2.gz BKNOHPFUEJWURB-HNNXBMFYSA-N 1 0 311.429 3.147 10 0 DGAERO CC(=O)Oc1ccc(CN2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000159064281 432667913 /nfs/dbraw/zinc/66/79/13/432667913.db2.gz XGULAOGUUXWHAI-GOSISDBHSA-N 1 0 315.369 3.087 10 0 DGAERO CC(C)[C@@H]([NH3+])CCN(C)c1ncc(Cl)cc1Br ZINC000159684048 432692787 /nfs/dbraw/zinc/69/27/87/432692787.db2.gz ZRCWJYMARWZGBP-NSHDSACASA-N 1 0 320.662 3.307 10 0 DGAERO COCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178107850 432696716 /nfs/dbraw/zinc/69/67/16/432696716.db2.gz ACGSEILJZPDDCO-CYBMUJFWSA-N 1 0 314.223 3.289 10 0 DGAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000178124671 432696936 /nfs/dbraw/zinc/69/69/36/432696936.db2.gz RFWJRXLYLXLPSC-KBPBESRZSA-N 1 0 309.417 3.326 10 0 DGAERO COC[C@H]([NH2+]C[C@H](C)c1ccc(F)cc1F)C1CCOCC1 ZINC000188092877 432704158 /nfs/dbraw/zinc/70/41/58/432704158.db2.gz UTPYRUBNPRHPGY-SJCJKPOMSA-N 1 0 313.388 3.100 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000188076632 432704567 /nfs/dbraw/zinc/70/45/67/432704567.db2.gz XYNPBBYTNCZWNN-QWHCGFSZSA-N 1 0 303.425 3.328 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000227065784 432710383 /nfs/dbraw/zinc/71/03/83/432710383.db2.gz NTNPPQKBUHGRHD-NUEKZKHPSA-N 1 0 324.262 3.057 10 0 DGAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227848932 432715925 /nfs/dbraw/zinc/71/59/25/432715925.db2.gz UTMBWYJAIKRNAA-MUWHJKNJSA-N 1 0 310.644 3.431 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccnc4cc(Cl)ccc43)C[C@H]21 ZINC000228550823 432719547 /nfs/dbraw/zinc/71/95/47/432719547.db2.gz LQBWOEAAAHEFCO-KCPJHIHWSA-N 1 0 301.821 3.452 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1C ZINC000188382211 432721364 /nfs/dbraw/zinc/72/13/64/432721364.db2.gz KYJOUJFMPHVWBP-INIZCTEOSA-N 1 0 305.466 3.429 10 0 DGAERO C[C@H]1CCC[N@H+](CCN2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000229401213 432722083 /nfs/dbraw/zinc/72/20/83/432722083.db2.gz KLTGLSCNSTWFQB-PXNSSMCTSA-N 1 0 316.489 3.164 10 0 DGAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(-n2cccn2)cc1 ZINC000178358517 432725090 /nfs/dbraw/zinc/72/50/90/432725090.db2.gz YVGGGLGQDCKNRI-KPOBHBOGSA-N 1 0 319.408 3.181 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]CCC(=O)NC(C)C)CCCO2 ZINC000177867073 432670431 /nfs/dbraw/zinc/67/04/31/432670431.db2.gz NJFQWADUBJEQCQ-INIZCTEOSA-N 1 0 304.434 3.021 10 0 DGAERO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc3c[nH]nc3c1)n2C ZINC000187573740 432671681 /nfs/dbraw/zinc/67/16/81/432671681.db2.gz IRYANGXSGIUCTG-UHFFFAOYSA-N 1 0 305.385 3.048 10 0 DGAERO CCN(CC)C(=O)[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1 ZINC000187648351 432675041 /nfs/dbraw/zinc/67/50/41/432675041.db2.gz WKFHQWKCMWWGMW-DLBZAZTESA-N 1 0 318.461 3.143 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1nc2cc(F)ccc2o1 ZINC000159222621 432675514 /nfs/dbraw/zinc/67/55/14/432675514.db2.gz VZCZGDBIBGLKKE-UHFFFAOYSA-N 1 0 305.378 3.488 10 0 DGAERO CCOc1ccc(C2(C[NH2+]C[C@H](C)COC)CCOCC2)cc1 ZINC000187714373 432679216 /nfs/dbraw/zinc/67/92/16/432679216.db2.gz PLXHJFCPTFFKAQ-INIZCTEOSA-N 1 0 321.461 3.006 10 0 DGAERO CC[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000178020934 432684452 /nfs/dbraw/zinc/68/44/52/432684452.db2.gz OZLNBWBUSVLSDN-SFHVURJKSA-N 1 0 324.424 3.092 10 0 DGAERO COC[C@@H]([NH2+]Cc1oc2ccc(F)cc2c1C)C1CCOCC1 ZINC000187838945 432688156 /nfs/dbraw/zinc/68/81/56/432688156.db2.gz OXLVRCAKEOTQFO-MRXNPFEDSA-N 1 0 321.392 3.412 10 0 DGAERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccsc1 ZINC000178039032 432688560 /nfs/dbraw/zinc/68/85/60/432688560.db2.gz UTDZYEXFEZOURE-CJNGLKHVSA-N 1 0 302.443 3.098 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1C ZINC000178051758 432689131 /nfs/dbraw/zinc/68/91/31/432689131.db2.gz VSRPTGLAJCOAFR-OAHLLOKOSA-N 1 0 307.401 3.130 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1C ZINC000178051766 432689197 /nfs/dbraw/zinc/68/91/97/432689197.db2.gz VSRPTGLAJCOAFR-HNNXBMFYSA-N 1 0 307.401 3.130 10 0 DGAERO CC1(C)C[C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc21 ZINC000178055133 432689604 /nfs/dbraw/zinc/68/96/04/432689604.db2.gz CLOSXLOISKYBDK-QGZVFWFLSA-N 1 0 319.412 3.175 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1NC(C)=O ZINC000187870965 432689697 /nfs/dbraw/zinc/68/96/97/432689697.db2.gz GPHSUJVKOCRQQM-IUODEOHRSA-N 1 0 320.433 3.262 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000187907809 432691485 /nfs/dbraw/zinc/69/14/85/432691485.db2.gz AMAIRZFMNGPTKU-SJKOYZFVSA-N 1 0 321.852 3.210 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000187909702 432691529 /nfs/dbraw/zinc/69/15/29/432691529.db2.gz PQJPDPBHKWOHBN-SCLBCKFNSA-N 1 0 318.392 3.464 10 0 DGAERO COc1cc(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)ccc1SC ZINC000187895743 432691642 /nfs/dbraw/zinc/69/16/42/432691642.db2.gz AVVFBYFICNHXTO-DYVFJYSZSA-N 1 0 309.475 3.400 10 0 DGAERO CC(C)(C)c1ccc(CCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000236585563 432749160 /nfs/dbraw/zinc/74/91/60/432749160.db2.gz HJLRHVOQHPBGQS-DOTOQJQBSA-N 1 0 302.462 3.160 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)c2ccc(F)cc2F)C1 ZINC000178535493 432750867 /nfs/dbraw/zinc/75/08/67/432750867.db2.gz SSBZPXPXZSZBLC-TZMCWYRMSA-N 1 0 310.388 3.059 10 0 DGAERO CCN(Cc1c[nH]c2ccccc12)C(=O)c1c[nH+]ccc1N(C)C ZINC000188956510 432755061 /nfs/dbraw/zinc/75/50/61/432755061.db2.gz UZYOESNTAZJGIG-UHFFFAOYSA-N 1 0 322.412 3.291 10 0 DGAERO CCc1ccccc1C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000188961656 432755820 /nfs/dbraw/zinc/75/58/20/432755820.db2.gz HCTLSWHLAHSSEZ-KRWDZBQOSA-N 1 0 312.461 3.370 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)NCc1ccc(Cl)cc1Cl ZINC000236682657 432756470 /nfs/dbraw/zinc/75/64/70/432756470.db2.gz XMCBTFASCXKOAA-UHFFFAOYSA-N 1 0 303.233 3.375 10 0 DGAERO Cc1cccc(C[C@H](CO)[NH2+]Cc2cnc(CC(C)C)s2)c1 ZINC000189016504 432759187 /nfs/dbraw/zinc/75/91/87/432759187.db2.gz KDZHMFLMFUXSQB-MRXNPFEDSA-N 1 0 318.486 3.343 10 0 DGAERO Clc1ccc(-c2cnc(CN3CC[N@@H+]4CCC[C@@H]4C3)o2)cc1 ZINC000178619531 432759231 /nfs/dbraw/zinc/75/92/31/432759231.db2.gz VAMZOXIXUJMNQY-OAHLLOKOSA-N 1 0 317.820 3.275 10 0 DGAERO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000189088481 432763972 /nfs/dbraw/zinc/76/39/72/432763972.db2.gz HJVSLSZMJXZIKX-LBPRGKRZSA-N 1 0 318.417 3.265 10 0 DGAERO c1ccc(C2CCC(C[N@@H+]3CCO[C@@]4(CCOC4)C3)CC2)cc1 ZINC000189220900 432772078 /nfs/dbraw/zinc/77/20/78/432772078.db2.gz VWRICZVWWHNBNP-UUKMXZOPSA-N 1 0 315.457 3.452 10 0 DGAERO CO[C@H]1CN(CC(=O)Nc2ccccc2C(C)C)CC[C@@H]1C ZINC000189264266 432773065 /nfs/dbraw/zinc/77/30/65/432773065.db2.gz SUZPXQPDLPICOO-YOEHRIQHSA-N 1 0 304.434 3.105 10 0 DGAERO Cc1ccc2cc(C(=O)N3CCC([NH+]4CCCC4)CC3)ccc2n1 ZINC000161521593 432782729 /nfs/dbraw/zinc/78/27/29/432782729.db2.gz KFNUREIESQCINX-UHFFFAOYSA-N 1 0 323.440 3.244 10 0 DGAERO Cc1ccc2cc(C[NH2+]CCNC(=O)c3ccccc3)ccc2n1 ZINC000189291587 432774887 /nfs/dbraw/zinc/77/48/87/432774887.db2.gz LHSNKILZQZEWQW-UHFFFAOYSA-N 1 0 319.408 3.063 10 0 DGAERO CO[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@H]1C ZINC000189312911 432777172 /nfs/dbraw/zinc/77/71/72/432777172.db2.gz UNIRKHWJTBOWTD-DOMZBBRYSA-N 1 0 317.351 3.485 10 0 DGAERO CO[C@H]1CN(Cc2cc(Br)cs2)CC[C@H]1C ZINC000189362906 432780467 /nfs/dbraw/zinc/78/04/67/432780467.db2.gz BKGGIPGKFJQDFH-SKDRFNHKSA-N 1 0 304.253 3.367 10 0 DGAERO CO[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1C ZINC000189363643 432781703 /nfs/dbraw/zinc/78/17/03/432781703.db2.gz GJIACFTVVHJUHE-WFASDCNBSA-N 1 0 310.825 3.025 10 0 DGAERO COc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)ccc1Cl ZINC000232201320 432736318 /nfs/dbraw/zinc/73/63/18/432736318.db2.gz CSVCMQNYVNEQMG-BPNCWPANSA-N 1 0 308.809 3.208 10 0 DGAERO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000233987127 432738284 /nfs/dbraw/zinc/73/82/84/432738284.db2.gz ZIKUAIIZBUQWIB-RRFJBIMHSA-N 1 0 301.402 3.262 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000178446490 432739021 /nfs/dbraw/zinc/73/90/21/432739021.db2.gz YJFZJIHNATZIJD-BDJLRTHQSA-N 1 0 307.340 3.358 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)nc1Cl ZINC000235379008 432741722 /nfs/dbraw/zinc/74/17/22/432741722.db2.gz UAYUDVXWAKUWAU-ZYHUDNBSSA-N 1 0 300.233 3.057 10 0 DGAERO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccncc1OC ZINC000188785556 432745855 /nfs/dbraw/zinc/74/58/55/432745855.db2.gz JMQGPEFCXHZULI-KBPBESRZSA-N 1 0 300.402 3.381 10 0 DGAERO CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000162283394 432819480 /nfs/dbraw/zinc/81/94/80/432819480.db2.gz JTDCJYSNSGYGBK-KXBFYZLASA-N 1 0 314.429 3.472 10 0 DGAERO CN(Cc1ccccc1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000244037469 432820545 /nfs/dbraw/zinc/82/05/45/432820545.db2.gz SWPNDUSJFJLHDS-UHFFFAOYSA-N 1 0 308.425 3.093 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000245515905 432839308 /nfs/dbraw/zinc/83/93/08/432839308.db2.gz FCVFSRMZNYFTEV-AEFFLSMTSA-N 1 0 302.462 3.116 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc2ccccc2s1 ZINC000245414484 432828321 /nfs/dbraw/zinc/82/83/21/432828321.db2.gz CIXJXLYDXSVVQQ-KBPBESRZSA-N 1 0 301.459 3.355 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1C ZINC000245424769 432829574 /nfs/dbraw/zinc/82/95/74/432829574.db2.gz CYHGKUQLVHPZOO-HOTGVXAUSA-N 1 0 301.434 3.394 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000245423746 432829711 /nfs/dbraw/zinc/82/97/11/432829711.db2.gz BQIWJDZJECCYTN-FMKPAKJESA-N 1 0 322.399 3.011 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)ccc1F ZINC000245426282 432829807 /nfs/dbraw/zinc/82/98/07/432829807.db2.gz FVUZUOPFUDEANQ-OLZOCXBDSA-N 1 0 309.360 3.055 10 0 DGAERO CCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)cc1 ZINC000245422696 432829820 /nfs/dbraw/zinc/82/98/20/432829820.db2.gz AEHQTXJHQISRFQ-CVEARBPZSA-N 1 0 317.433 3.176 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)cc1C ZINC000245429556 432829871 /nfs/dbraw/zinc/82/98/71/432829871.db2.gz KPZXXXHEBGYBCF-GJZGRUSLSA-N 1 0 305.397 3.225 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)cc2cccnc21 ZINC000245445568 432831573 /nfs/dbraw/zinc/83/15/73/432831573.db2.gz YZMCUZQZUWSVBU-MSOLQXFVSA-N 1 0 313.420 3.433 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245458504 432833056 /nfs/dbraw/zinc/83/30/56/432833056.db2.gz CXULNRRTGYQVBF-CVYDXHPNSA-N 1 0 315.461 3.057 10 0 DGAERO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000245467038 432834287 /nfs/dbraw/zinc/83/42/87/432834287.db2.gz JTPLODRVDFZCLJ-CHWSQXEVSA-N 1 0 302.422 3.256 10 0 DGAERO CCO[C@@H](C)c1nc(CN(C)C[C@H]2CCC[N@@H+]2CC)cs1 ZINC000245467104 432834982 /nfs/dbraw/zinc/83/49/82/432834982.db2.gz JVJMCSQBYYXZRE-DZGCQCFKSA-N 1 0 311.495 3.157 10 0 DGAERO Cc1nc(C(=O)N(CC[NH+](C)C)Cc2cccs2)c(C)s1 ZINC000178893603 432786153 /nfs/dbraw/zinc/78/61/53/432786153.db2.gz NXEYCOVWFYYAHP-UHFFFAOYSA-N 1 0 323.487 3.025 10 0 DGAERO CCCN(C(=O)c1sc(C2CCCC2)nc1C)[C@@H]1CC[NH2+]C1 ZINC000178928905 432789707 /nfs/dbraw/zinc/78/97/07/432789707.db2.gz QLUIIQIIQHEYRP-CQSZACIVSA-N 1 0 321.490 3.323 10 0 DGAERO CCc1nc(NC(=O)NC2CCC(C[NH+](C)C)CC2)sc1C ZINC000178960273 432792117 /nfs/dbraw/zinc/79/21/17/432792117.db2.gz NXMXAFLJTVMBTO-UHFFFAOYSA-N 1 0 324.494 3.256 10 0 DGAERO O=C1NCC[C@H]1[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000178990738 432794044 /nfs/dbraw/zinc/79/40/44/432794044.db2.gz RNQYZPCBDGLNLX-RTBURBONSA-N 1 0 308.425 3.229 10 0 DGAERO O=C1NCC[C@@H]1[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000178990752 432794281 /nfs/dbraw/zinc/79/42/81/432794281.db2.gz RNQYZPCBDGLNLX-MOPGFXCFSA-N 1 0 308.425 3.229 10 0 DGAERO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC000189518942 432794650 /nfs/dbraw/zinc/79/46/50/432794650.db2.gz CWGPCDUTPCIXBL-KBPBESRZSA-N 1 0 308.495 3.237 10 0 DGAERO O[C@]1(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CCc2ccccc21 ZINC000179006695 432794755 /nfs/dbraw/zinc/79/47/55/432794755.db2.gz OMLLZWDPWPGFAU-FQEVSTJZSA-N 1 0 319.408 3.000 10 0 DGAERO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000189523206 432796559 /nfs/dbraw/zinc/79/65/59/432796559.db2.gz JUAWLOFHSSUGMR-CABCVRRESA-N 1 0 310.438 3.418 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(Cl)c1F ZINC000161806220 432798274 /nfs/dbraw/zinc/79/82/74/432798274.db2.gz HRWDAABZGLJKKE-GWCFXTLKSA-N 1 0 308.788 3.126 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccccc2F)C1 ZINC000161805185 432798336 /nfs/dbraw/zinc/79/83/36/432798336.db2.gz LPWIQCRERJUTGI-OAHLLOKOSA-N 1 0 320.452 3.197 10 0 DGAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000161828224 432799831 /nfs/dbraw/zinc/79/98/31/432799831.db2.gz CCXFQQPHXOZDOF-LPHOPBHVSA-N 1 0 313.445 3.417 10 0 DGAERO CC[C@@]1(CO)CCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000189658365 432808160 /nfs/dbraw/zinc/80/81/60/432808160.db2.gz PUBSYKBJNPRSQA-KRWDZBQOSA-N 1 0 304.365 3.218 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000238055497 432810899 /nfs/dbraw/zinc/81/08/99/432810899.db2.gz BKYAWHCBQPSEIY-RYUDHWBXSA-N 1 0 307.463 3.258 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000162178300 432814626 /nfs/dbraw/zinc/81/46/26/432814626.db2.gz SVJXWNWLFQYKJN-KBAYOESNSA-N 1 0 306.494 3.297 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(-c2nccc(C)n2)cc1)[NH+](C)C ZINC000162168898 432815047 /nfs/dbraw/zinc/81/50/47/432815047.db2.gz JAAVUMBXEJQIEV-MRXNPFEDSA-N 1 0 312.417 3.121 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000245739712 432860212 /nfs/dbraw/zinc/86/02/12/432860212.db2.gz GBHTYWGKZIHJAN-CHWSQXEVSA-N 1 0 307.825 3.349 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1nnc(-c2ccccc2)o1 ZINC000245777386 432862733 /nfs/dbraw/zinc/86/27/33/432862733.db2.gz PYVMEFOKDZVRCD-HNKHHVNMSA-N 1 0 313.401 3.345 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cn(-c3ccccc3)nn2)C1(C)C ZINC000245785647 432863259 /nfs/dbraw/zinc/86/32/59/432863259.db2.gz TUSLRHHQDATIQS-XOKHGSTOSA-N 1 0 314.433 3.122 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000245876708 432867337 /nfs/dbraw/zinc/86/73/37/432867337.db2.gz MNMBDSQBHMDVKJ-WMLDXEAASA-N 1 0 319.449 3.198 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000245891125 432868401 /nfs/dbraw/zinc/86/84/01/432868401.db2.gz PWVIOEXYMFTHDZ-GKIWIXTESA-N 1 0 317.454 3.466 10 0 DGAERO CCCOc1ncccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245911348 432869382 /nfs/dbraw/zinc/86/93/82/432869382.db2.gz PKCJPMYGVUPNCQ-ARFHVFGLSA-N 1 0 304.434 3.164 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000245937882 432871798 /nfs/dbraw/zinc/87/17/98/432871798.db2.gz SEGBWGJAXGKZJU-RDBSUJKOSA-N 1 0 308.853 3.070 10 0 DGAERO C1CCC2(C1)[C@H]([NH2+][C@@H]1CCOC3(CCCC3)C1)[C@@H]1CCO[C@H]12 ZINC000245943185 432872170 /nfs/dbraw/zinc/87/21/70/432872170.db2.gz VHJLDMBWKJRSTM-YYIAUSFCSA-N 1 0 305.462 3.416 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245953739 432872579 /nfs/dbraw/zinc/87/25/79/432872579.db2.gz BPFRGMAZUJYOHR-BBRMVZONSA-N 1 0 323.868 3.212 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000245968553 432873557 /nfs/dbraw/zinc/87/35/57/432873557.db2.gz FCMOZXCZNKNSQK-WMLDXEAASA-N 1 0 319.449 3.198 10 0 DGAERO CCC[C@H](C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1)c1ccccc1 ZINC000246015431 432874393 /nfs/dbraw/zinc/87/43/93/432874393.db2.gz ZCVQMKHSYJYXRB-RLLQIKCJSA-N 1 0 318.505 3.347 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246020707 432874607 /nfs/dbraw/zinc/87/46/07/432874607.db2.gz LCCRUYHEBZSWJV-SNPRPXQTSA-N 1 0 322.399 3.059 10 0 DGAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000246040620 432874980 /nfs/dbraw/zinc/87/49/80/432874980.db2.gz XAWBDFFEGVILLD-NJDAHSKKSA-N 1 0 316.404 3.419 10 0 DGAERO Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C(N)=O)CC[C@H]3C)o2)cc1 ZINC000245537235 432840599 /nfs/dbraw/zinc/84/05/99/432840599.db2.gz IPZOJMGUBULNRF-ZBFHGGJFSA-N 1 0 312.413 3.341 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245588053 432848034 /nfs/dbraw/zinc/84/80/34/432848034.db2.gz KDMSQICCGUKGJN-ZLIFDBKOSA-N 1 0 312.404 3.115 10 0 DGAERO Cn1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c(-c2ccccc2)n1 ZINC000245608256 432848586 /nfs/dbraw/zinc/84/85/86/432848586.db2.gz AECJEDOUJUHRND-QZTJIDSGSA-N 1 0 311.429 3.231 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1CCCN1CCOC)c1cc(F)ccc1F ZINC000163320707 432849969 /nfs/dbraw/zinc/84/99/69/432849969.db2.gz OMFGGYDRNSYYQI-WMLDXEAASA-N 1 0 312.404 3.116 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(OC)c2)[C@@H](C)C1 ZINC000245614020 432850819 /nfs/dbraw/zinc/85/08/19/432850819.db2.gz CKMWTTHDIWJNDM-WFASDCNBSA-N 1 0 324.852 3.151 10 0 DGAERO CSC[C@H](C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163423803 432852173 /nfs/dbraw/zinc/85/21/73/432852173.db2.gz WDEAJZNNPUVQEX-MAUKXSAKSA-N 1 0 320.502 3.156 10 0 DGAERO CSC[C@@H](C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163423695 432852205 /nfs/dbraw/zinc/85/22/05/432852205.db2.gz WDEAJZNNPUVQEX-QAPCUYQASA-N 1 0 320.502 3.156 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ncc(Br)s1 ZINC000245643049 432852604 /nfs/dbraw/zinc/85/26/04/432852604.db2.gz IFWPLRVSNKXYCR-IVZWLZJFSA-N 1 0 319.268 3.107 10 0 DGAERO COc1ccc2oc(C[NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)cc2c1 ZINC000245659696 432854591 /nfs/dbraw/zinc/85/45/91/432854591.db2.gz HFEGRSBSTFCEPJ-LZLYRXPVSA-N 1 0 301.386 3.489 10 0 DGAERO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c(Cl)cc1F ZINC000163506355 432854678 /nfs/dbraw/zinc/85/46/78/432854678.db2.gz HHPXWUUOPFMYMX-LBPRGKRZSA-N 1 0 312.816 3.392 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC=CCC2)[C@@H]1c1ccccc1 ZINC000245673525 432854702 /nfs/dbraw/zinc/85/47/02/432854702.db2.gz SPLIEMRYOCEJHX-NJAFHUGGSA-N 1 0 313.445 3.087 10 0 DGAERO CC(C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245683812 432855376 /nfs/dbraw/zinc/85/53/76/432855376.db2.gz KNBJKIAIAHHPSI-DOMZBBRYSA-N 1 0 312.816 3.244 10 0 DGAERO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@@H]1CC=CCC1 ZINC000245684594 432856195 /nfs/dbraw/zinc/85/61/95/432856195.db2.gz AGNOBEOXEOXWPB-IAGOWNOFSA-N 1 0 320.502 3.410 10 0 DGAERO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000245706944 432857348 /nfs/dbraw/zinc/85/73/48/432857348.db2.gz SEJDRVBSSNKDBF-ROUUACIJSA-N 1 0 318.436 3.347 10 0 DGAERO CCN(CC)c1ncc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000245713102 432857794 /nfs/dbraw/zinc/85/77/94/432857794.db2.gz GJWOZOAYTPZMOC-GOEBONIOSA-N 1 0 324.538 3.151 10 0 DGAERO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccnc1N(C)C)CCC2 ZINC000154787454 292690367 /nfs/dbraw/zinc/69/03/67/292690367.db2.gz ANJOKDFFSRCXAI-ZDUSSCGKSA-N 1 0 302.447 3.080 10 0 DGAERO c1c(CNCc2ccc(OC3CCCC3)cc2)nc2ncccn12 ZINC000297308274 432990733 /nfs/dbraw/zinc/99/07/33/432990733.db2.gz BQINGZHRUHICQA-UHFFFAOYSA-N 1 0 322.412 3.341 10 0 DGAERO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000279828326 432992245 /nfs/dbraw/zinc/99/22/45/432992245.db2.gz YQPRPBPRGQTIJU-GDBMZVCRSA-N 1 0 319.449 3.125 10 0 DGAERO CC(C)c1cnc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000333251596 433044927 /nfs/dbraw/zinc/04/49/27/433044927.db2.gz CODASJOJOOFDPY-CYBMUJFWSA-N 1 0 322.478 3.262 10 0 DGAERO CC(=O)c1cccc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000341259631 433006825 /nfs/dbraw/zinc/00/68/25/433006825.db2.gz CMVKPGLSWOYRKD-KBPBESRZSA-N 1 0 317.433 3.274 10 0 DGAERO O=C(Nc1ccc2c3c(cccc31)CC2)N[C@H]1CCCC[NH2+]C1 ZINC000333198153 433039144 /nfs/dbraw/zinc/03/91/44/433039144.db2.gz WVEXOTRBDGIPKK-HNNXBMFYSA-N 1 0 309.413 3.202 10 0 DGAERO [NH3+]Cc1cccnc1NC(=O)N[C@H]1CCCCC12CCCC2 ZINC000333336761 433048568 /nfs/dbraw/zinc/04/85/68/433048568.db2.gz PBSZKBKTBHCBRH-AWEZNQCLSA-N 1 0 302.422 3.165 10 0 DGAERO CC(C)c1scnc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333365772 433051723 /nfs/dbraw/zinc/05/17/23/433051723.db2.gz UGJWFVLQAIOJJI-QWHCGFSZSA-N 1 0 322.478 3.120 10 0 DGAERO CCc1noc(C)c1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000155781399 292716430 /nfs/dbraw/zinc/71/64/30/292716430.db2.gz IJCRUJXSPKGPOV-CYBMUJFWSA-N 1 0 310.442 3.033 10 0 DGAERO CCC[NH+](CCC)CCCNC(=O)Nc1c(C)onc1CC ZINC000155810784 292717286 /nfs/dbraw/zinc/71/72/86/292717286.db2.gz IZGMQETXRAIKTR-UHFFFAOYSA-N 1 0 310.442 3.179 10 0 DGAERO C[C@H](C(=O)N(Cc1c(F)cccc1F)C1CCCC1)C1C[NH2+]C1 ZINC000262549697 289258383 /nfs/dbraw/zinc/25/83/83/289258383.db2.gz ONWONXLRMYKFBG-LBPRGKRZSA-N 1 0 322.399 3.092 10 0 DGAERO C[C@H](C(=O)N1CCc2ccccc2[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000262325884 289306666 /nfs/dbraw/zinc/30/66/66/289306666.db2.gz DGMSOXYPCXGEPN-MGPUTAFESA-N 1 0 320.436 3.016 10 0 DGAERO CS[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156770665 292734894 /nfs/dbraw/zinc/73/48/94/292734894.db2.gz UNRXNKRFVZEUQT-HZSPNIEDSA-N 1 0 316.511 3.363 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446621483 433074883 /nfs/dbraw/zinc/07/48/83/433074883.db2.gz WMUNEDPZEKBGEG-UHFFFAOYSA-N 1 0 303.450 3.091 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CN1Cc1ccccc1 ZINC000341472945 433078453 /nfs/dbraw/zinc/07/84/53/433078453.db2.gz AXWLSKOTBURNBW-WOCWXWTJSA-N 1 0 316.489 3.443 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)N1CCCC12CCC2)c1ccccc1 ZINC000373108059 433090715 /nfs/dbraw/zinc/09/07/15/433090715.db2.gz ZNWNJMQOMDDKAD-MRXNPFEDSA-N 1 0 301.434 3.017 10 0 DGAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc4cc(Cl)cc(Cl)c4o3)C[C@H]12 ZINC000333926839 433129316 /nfs/dbraw/zinc/12/93/16/433129316.db2.gz VVIXOVSAYABSRC-POZPLHJXSA-N 1 0 312.200 3.308 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC000446977790 433139086 /nfs/dbraw/zinc/13/90/86/433139086.db2.gz RQABJHNDYFQFTR-QAPCUYQASA-N 1 0 302.462 3.233 10 0 DGAERO O[C@H]1CCCC[C@@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000453347762 433106994 /nfs/dbraw/zinc/10/69/94/433106994.db2.gz KZPWSUWQYWBFEY-NQYYFHDYSA-N 1 0 303.446 3.295 10 0 DGAERO CC[C@@H]1C[C@H](C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)CCO1 ZINC000425369561 433209030 /nfs/dbraw/zinc/20/90/30/433209030.db2.gz MJYLEVPFKYLHPS-ZIAGYGMSSA-N 1 0 324.852 3.382 10 0 DGAERO COc1ccc(F)c(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000447150337 433166615 /nfs/dbraw/zinc/16/66/15/433166615.db2.gz IDHARKJFHCTWNJ-CHWSQXEVSA-N 1 0 323.412 3.219 10 0 DGAERO CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1cccc(Br)c1 ZINC000453415819 433172831 /nfs/dbraw/zinc/17/28/31/433172831.db2.gz UCOWEBRUSCGEEX-OLZOCXBDSA-N 1 0 313.239 3.014 10 0 DGAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1cc(Br)cs1 ZINC000336670732 433173829 /nfs/dbraw/zinc/17/38/29/433173829.db2.gz ZHFNWTMMQIOBTH-SECBINFHSA-N 1 0 304.253 3.324 10 0 DGAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2nc3c(s2)CCCCC3)C1 ZINC000350472276 433175952 /nfs/dbraw/zinc/17/59/52/433175952.db2.gz CJKPKESKOSWDLD-NEPJUHHUSA-N 1 0 322.478 3.016 10 0 DGAERO Cn1ccnc1C[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000336685575 433179723 /nfs/dbraw/zinc/17/97/23/433179723.db2.gz FZWSBKNDIJLHFI-UHFFFAOYSA-N 1 0 321.424 3.331 10 0 DGAERO CCCn1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)cn1 ZINC000336713842 433187807 /nfs/dbraw/zinc/18/78/07/433187807.db2.gz NURPQLNRIBTTMR-APWZRJJASA-N 1 0 312.461 3.046 10 0 DGAERO Brc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000291154975 433222946 /nfs/dbraw/zinc/22/29/46/433222946.db2.gz IPWICGUHEKLOTQ-BPLDGKMQSA-N 1 0 310.235 3.464 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCOCC4(CCC4)C3)cn2)nc1 ZINC000425430137 433236015 /nfs/dbraw/zinc/23/60/15/433236015.db2.gz DHVQKOLCCDSITB-UHFFFAOYSA-N 1 0 309.413 3.146 10 0 DGAERO Brc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)o1 ZINC000361554819 433244389 /nfs/dbraw/zinc/24/43/89/433244389.db2.gz VNGJECVXRBSMMQ-ZYHUDNBSSA-N 1 0 300.196 3.043 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)cn2)nc1 ZINC000425442877 433246379 /nfs/dbraw/zinc/24/63/79/433246379.db2.gz KGNIWNKBDZDYNL-RTBURBONSA-N 1 0 309.413 3.287 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(Br)o1 ZINC000350728170 433269130 /nfs/dbraw/zinc/26/91/30/433269130.db2.gz GQTFZMVNMQCVGZ-RYUDHWBXSA-N 1 0 313.239 3.101 10 0 DGAERO c1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cn2)nc1 ZINC000425474296 433258285 /nfs/dbraw/zinc/25/82/85/433258285.db2.gz IMZIZDGRVCXEBR-ATZDWAIDSA-N 1 0 321.424 3.191 10 0 DGAERO CC(=O)c1ccc(OC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c(C)c1 ZINC000291525483 433259357 /nfs/dbraw/zinc/25/93/57/433259357.db2.gz QIAOFUGLNBEFPI-SFHVURJKSA-N 1 0 321.392 3.316 10 0 DGAERO C[C@H]1CCOCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000374982760 433324361 /nfs/dbraw/zinc/32/43/61/433324361.db2.gz BOZLSWSMDCUHRW-INIZCTEOSA-N 1 0 312.413 3.271 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1 ZINC000448021334 433345822 /nfs/dbraw/zinc/34/58/22/433345822.db2.gz ICPJQGKOTVEFLS-CRAIPNDOSA-N 1 0 304.478 3.336 10 0 DGAERO O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420965426 433356445 /nfs/dbraw/zinc/35/64/45/433356445.db2.gz SDNCMGDZSSPRMD-MOPGFXCFSA-N 1 0 303.446 3.076 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(CCSc4ccccn4)n3)cc12 ZINC000351080546 433367228 /nfs/dbraw/zinc/36/72/28/433367228.db2.gz OQNQGLGSAXBOIE-UHFFFAOYSA-N 1 0 323.381 3.114 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]C1(c2ccccc2)CCC1 ZINC000291901646 433386156 /nfs/dbraw/zinc/38/61/56/433386156.db2.gz JBTPVVQUPVFLAL-UHFFFAOYSA-N 1 0 318.424 3.495 10 0 DGAERO c1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)n(-c2ccccc2)n1 ZINC000448339966 433386800 /nfs/dbraw/zinc/38/68/00/433386800.db2.gz UAHLGZNDICPCQN-IBGZPJMESA-N 1 0 324.472 3.323 10 0 DGAERO c1csc(N2CCN(Cc3ccnn3-c3ccccc3)CC2)c1 ZINC000448332872 433387147 /nfs/dbraw/zinc/38/71/47/433387147.db2.gz QANDECJIIQEKSG-UHFFFAOYSA-N 1 0 324.453 3.256 10 0 DGAERO CC(C)CCc1nc(-c2cc(C(C)C)[nH]n2)n2c1C[NH2+]CC2 ZINC000299800141 433389930 /nfs/dbraw/zinc/38/99/30/433389930.db2.gz WLAMPFLMHHNWFJ-UHFFFAOYSA-N 1 0 301.438 3.088 10 0 DGAERO Cn1c(Cl)cnc1C[NH2+]CCCCOCc1ccccc1 ZINC000281817975 433392726 /nfs/dbraw/zinc/39/27/26/433392726.db2.gz WROHGOGYBSOFKS-UHFFFAOYSA-N 1 0 307.825 3.160 10 0 DGAERO C[C@H]1CCC[C@](CNc2ccccc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000301100941 433412126 /nfs/dbraw/zinc/41/21/26/433412126.db2.gz QZNAUEMNURAJTP-YOEHRIQHSA-N 1 0 324.490 3.013 10 0 DGAERO c1ccc(NCCCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)nc1 ZINC000361888046 433439557 /nfs/dbraw/zinc/43/95/57/433439557.db2.gz IYQYQBUWKGJUQY-FGTMMUONSA-N 1 0 317.477 3.459 10 0 DGAERO CCc1nc(C)c([C@@H](C)[NH2+]CCc2cccc(OC)n2)s1 ZINC000361925589 433454343 /nfs/dbraw/zinc/45/43/43/433454343.db2.gz IMUIRKRBQWKYPG-LLVKDONJSA-N 1 0 305.447 3.311 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1F ZINC000375406871 433454706 /nfs/dbraw/zinc/45/47/06/433454706.db2.gz VKXLWSBAHRSMMK-CYBMUJFWSA-N 1 0 317.364 3.084 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cc(Cl)sc1Cl ZINC000282464153 290001866 /nfs/dbraw/zinc/00/18/66/290001866.db2.gz VVXWMKCFPVALID-LKEWCRSYSA-N 1 0 307.246 3.373 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000179494166 290016486 /nfs/dbraw/zinc/01/64/86/290016486.db2.gz PUPSACLOKYRGHH-GUDXXQAFSA-N 1 0 308.853 3.100 10 0 DGAERO CN1CC[C@@H]([NH2+]Cc2cc(O)cc(F)c2)[C@H]1c1ccccc1 ZINC000248627758 290146909 /nfs/dbraw/zinc/14/69/09/290146909.db2.gz FNFTUZAGFMRHAJ-QZTJIDSGSA-N 1 0 300.377 3.066 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000159353007 292791355 /nfs/dbraw/zinc/79/13/55/292791355.db2.gz SVYSMPYIXQLDMJ-KDOFPFPSSA-N 1 0 324.440 3.320 10 0 DGAERO CC(=O)N1CCN(Cc2ccc3nc(C)sc3c2)C(C)(C)C1 ZINC000426366304 433478342 /nfs/dbraw/zinc/47/83/42/433478342.db2.gz QEQIWIAGCMXXNW-UHFFFAOYSA-N 1 0 317.458 3.047 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNc1nc(-c2ccccc2)ns1 ZINC000301388587 433532647 /nfs/dbraw/zinc/53/26/47/433532647.db2.gz YOHWJSLVPCVMTP-ZDUSSCGKSA-N 1 0 302.447 3.491 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)C2=C(c3ccccc3)CCCC2)C1 ZINC000448760984 433534100 /nfs/dbraw/zinc/53/41/00/433534100.db2.gz HREKBWOZQYSOFY-MRXNPFEDSA-N 1 0 312.457 3.472 10 0 DGAERO Fc1ccc2ncnc(N[C@H]3CC[N@@H+](C4CCCC4)C3)c2c1 ZINC000301403949 433536580 /nfs/dbraw/zinc/53/65/80/433536580.db2.gz SJIOHAQDADRWKS-ZDUSSCGKSA-N 1 0 300.381 3.198 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)C2(Cc3cccc(Cl)c3)CC2)C1 ZINC000448765305 433538217 /nfs/dbraw/zinc/53/82/17/433538217.db2.gz XRAMSMINIPTGMQ-HNNXBMFYSA-N 1 0 320.864 3.121 10 0 DGAERO CCc1cc(NC[C@H](O)C2CCCC2)nc(-c2ccncc2)n1 ZINC000301290689 433489355 /nfs/dbraw/zinc/48/93/55/433489355.db2.gz OYUIMTYCDFUPAY-INIZCTEOSA-N 1 0 312.417 3.064 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1CCCSC1 ZINC000342289248 433589468 /nfs/dbraw/zinc/58/94/68/433589468.db2.gz MAKBBAATGSQPQR-GFCCVEGCSA-N 1 0 305.472 3.438 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@H]1SC ZINC000362313367 433636574 /nfs/dbraw/zinc/63/65/74/433636574.db2.gz SVXPHIPICZGINL-BPLDGKMQSA-N 1 0 315.866 3.347 10 0 DGAERO CCC[C@@H](C(=O)NCC[C@@H](C)c1ccc(OC)cc1)[NH+](C)C ZINC000162280812 292851163 /nfs/dbraw/zinc/85/11/63/292851163.db2.gz NRLZTMIFHJNMBI-PBHICJAKSA-N 1 0 306.450 3.035 10 0 DGAERO Cc1ccc2c(C[N@H+]3CCOCC[C@@H]3C)cc(=O)oc2c1C ZINC000362235892 433596646 /nfs/dbraw/zinc/59/66/46/433596646.db2.gz LKXDJYKTHSVDRP-ZDUSSCGKSA-N 1 0 301.386 3.021 10 0 DGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000165264051 292878894 /nfs/dbraw/zinc/87/88/94/292878894.db2.gz PRBUITRLYCGLGU-OAHLLOKOSA-N 1 0 315.461 3.255 10 0 DGAERO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc(=O)[nH]n1 ZINC000375895422 433603520 /nfs/dbraw/zinc/60/35/20/433603520.db2.gz MJXWZWQFWCIWPI-MPKXVKKWSA-N 1 0 303.793 3.432 10 0 DGAERO COc1cc(C[NH2+]CC[C@@H](C)F)cc(Br)c1O ZINC000339488605 433617194 /nfs/dbraw/zinc/61/71/94/433617194.db2.gz BHCYTSPSDRXADG-MRVPVSSYSA-N 1 0 306.175 3.001 10 0 DGAERO c1oc(-c2ccccc2)nc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000339499805 433619944 /nfs/dbraw/zinc/61/99/44/433619944.db2.gz UOAGEVXMBWUMNS-UHFFFAOYSA-N 1 0 320.396 3.341 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCc1nc2ccccc2n1C ZINC000362277908 433621550 /nfs/dbraw/zinc/62/15/50/433621550.db2.gz MDZAVPRHUQVTBV-OAHLLOKOSA-N 1 0 323.440 3.384 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000366218807 292925435 /nfs/dbraw/zinc/92/54/35/292925435.db2.gz NEAOJYXUKPQJHV-RUGDWHBFSA-N 1 0 303.446 3.419 10 0 DGAERO Cc1nocc1C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000293232819 433668342 /nfs/dbraw/zinc/66/83/42/433668342.db2.gz KTYSDVOJKRUTRO-IRXDYDNUSA-N 1 0 300.402 3.457 10 0 DGAERO Cc1cccc2c(N3CCO[C@](C)(c4cnn(C)c4)C3)cc[nH+]c12 ZINC000301698837 433683459 /nfs/dbraw/zinc/68/34/59/433683459.db2.gz DJIVDDOOLDUOAB-IBGZPJMESA-N 1 0 322.412 3.029 10 0 DGAERO Cc1nn(C(C)C)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000366960319 293008640 /nfs/dbraw/zinc/00/86/40/293008640.db2.gz RSQWLCMKNDRJKU-UHFFFAOYSA-N 1 0 305.466 3.411 10 0 DGAERO COCCCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000366986644 293010760 /nfs/dbraw/zinc/01/07/60/293010760.db2.gz JCMOERYHSVJRBG-ROUUACIJSA-N 1 0 322.493 3.059 10 0 DGAERO CN(C)c1ccccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000367028000 293014713 /nfs/dbraw/zinc/01/47/13/293014713.db2.gz UPACIURYSNHAES-OAHLLOKOSA-N 1 0 312.417 3.003 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000367125060 293027974 /nfs/dbraw/zinc/02/79/74/293027974.db2.gz CGUMMUDDUSILAS-DZKIICNBSA-N 1 0 309.475 3.275 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCOC(F)F ZINC000367181546 293035070 /nfs/dbraw/zinc/03/50/70/293035070.db2.gz YUWKRQOYCINBCI-GOEBONIOSA-N 1 0 312.404 3.116 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]CCCCOCCc1ccccc1)CCC2 ZINC000367597470 293088715 /nfs/dbraw/zinc/08/87/15/293088715.db2.gz RZHUEPVIISHZEH-GOSISDBHSA-N 1 0 313.445 3.416 10 0 DGAERO c1cn(-c2ccccc2)nc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000370719237 293185997 /nfs/dbraw/zinc/18/59/97/293185997.db2.gz JSTAMYGJMMBQLW-GOSISDBHSA-N 1 0 318.424 3.332 10 0 DGAERO c1onc(Cc2ccccc2)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000351757510 433706954 /nfs/dbraw/zinc/70/69/54/433706954.db2.gz NSGGDZVDQFHNFE-VQIMIIECSA-N 1 0 312.413 3.266 10 0 DGAERO COc1cc2ccccc2cc1C[N@@H+]1CCSC[C@H]1CCO ZINC000449049146 433707796 /nfs/dbraw/zinc/70/77/96/433707796.db2.gz QXBKBCYXPCINQK-QGZVFWFLSA-N 1 0 317.454 3.148 10 0 DGAERO c1c2cccnc2oc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000449049819 433708223 /nfs/dbraw/zinc/70/82/23/433708223.db2.gz SFKTYIFNTGYDME-QAPCUYQASA-N 1 0 311.429 3.277 10 0 DGAERO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000373475664 293279990 /nfs/dbraw/zinc/27/99/90/293279990.db2.gz SGFGBPCZQHCCFB-MRXNPFEDSA-N 1 0 302.462 3.308 10 0 DGAERO Cc1nccc(C[NH+]2CCC(c3ccc(N(C)C)cc3)CC2)n1 ZINC000373640389 293300673 /nfs/dbraw/zinc/30/06/73/293300673.db2.gz QLUFYCLRXPYIPO-UHFFFAOYSA-N 1 0 310.445 3.231 10 0 DGAERO OC[C@@H]1CCCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000374037332 293345461 /nfs/dbraw/zinc/34/54/61/293345461.db2.gz KIAZRUBIMMFEDZ-GFCCVEGCSA-N 1 0 316.214 3.183 10 0 DGAERO C[NH+]1CCC2(CCCN(C(=O)C3CCC(F)(F)CC3)C2)CC1 ZINC000374056776 293347795 /nfs/dbraw/zinc/34/77/95/293347795.db2.gz HCBSXPRGZDOGBP-UHFFFAOYSA-N 1 0 314.420 3.146 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)[C@H]2CCCO[C@@H]21 ZINC000374157969 293359580 /nfs/dbraw/zinc/35/95/80/293359580.db2.gz IYEAJFIPVNPKBT-OIISXLGYSA-N 1 0 312.413 3.234 10 0 DGAERO O=C(c1ccoc1C1CC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000374227231 293368685 /nfs/dbraw/zinc/36/86/85/293368685.db2.gz DLNUDEQNBBLUNK-CQSZACIVSA-N 1 0 302.418 3.105 10 0 DGAERO CC(=O)c1ccc2c(c1)CCN(CC[NH+]1CCC(C)CC1)CC2 ZINC000374353828 293388350 /nfs/dbraw/zinc/38/83/50/293388350.db2.gz SRDCFZSFCZLZQO-UHFFFAOYSA-N 1 0 314.473 3.022 10 0 DGAERO c1nn2ccccc2c1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000374495024 293407786 /nfs/dbraw/zinc/40/77/86/293407786.db2.gz GXPBRQWHECCRKN-QFBILLFUSA-N 1 0 307.397 3.202 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@@H](C)c1ccccc1 ZINC000374792743 293446610 /nfs/dbraw/zinc/44/66/10/293446610.db2.gz KXTNSUYEUOOOJX-KCITZHQASA-N 1 0 317.473 3.336 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1nc2ccccc2[nH]1 ZINC000301850565 433757935 /nfs/dbraw/zinc/75/79/35/433757935.db2.gz AXMUERYISBEYSC-HOCLYGCPSA-N 1 0 321.428 3.280 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000362450126 433723063 /nfs/dbraw/zinc/72/30/63/433723063.db2.gz PSVFHKZQLHZWCY-OALUTQOASA-N 1 0 303.446 3.137 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000362450125 433724192 /nfs/dbraw/zinc/72/41/92/433724192.db2.gz PSVFHKZQLHZWCY-MOPGFXCFSA-N 1 0 303.446 3.137 10 0 DGAERO C[C@H]([NH2+]C1CCC(O)(c2cccc(F)c2)CC1)c1nccn1C ZINC000375239986 293502092 /nfs/dbraw/zinc/50/20/92/293502092.db2.gz VYWZNRLPEVFSEZ-BELGNNRLSA-N 1 0 317.408 3.040 10 0 DGAERO C[NH+]1CCC(CC(=O)N(CCc2ccc(F)cc2)C2CC2)CC1 ZINC000362816329 433873508 /nfs/dbraw/zinc/87/35/08/433873508.db2.gz ZQSFKKJUTBPNIA-UHFFFAOYSA-N 1 0 318.436 3.091 10 0 DGAERO c1c2c(nn1C1CCCC1)[C@H]([NH2+]C[C@@H]1CCCOC1)CCC2 ZINC000357031948 433835609 /nfs/dbraw/zinc/83/56/09/433835609.db2.gz WGWSBXSQMMVBKP-WMLDXEAASA-N 1 0 303.450 3.392 10 0 DGAERO O=C1[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)CCN1c1ccccc1 ZINC000362927707 433911888 /nfs/dbraw/zinc/91/18/88/433911888.db2.gz KSRCOOGYWUIQRI-KRWDZBQOSA-N 1 0 323.371 3.202 10 0 DGAERO CC[N@H+](C)[C@@H]1CCN(c2cc(C(C)(C)C)nc(C(C)C)n2)C1 ZINC000302838066 433883365 /nfs/dbraw/zinc/88/33/65/433883365.db2.gz YDTXACUUFRJNHK-CQSZACIVSA-N 1 0 304.482 3.428 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)C2(C)CCC2)[C@H]1c1cccs1 ZINC000362863783 433888583 /nfs/dbraw/zinc/88/85/83/433888583.db2.gz LWWZAKVEBLJEMY-HIFRSBDPSA-N 1 0 306.475 3.437 10 0 DGAERO CC(C)n1cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cn1 ZINC000377693895 433961031 /nfs/dbraw/zinc/96/10/31/433961031.db2.gz DEXUGLQAGIJWSH-MOPGFXCFSA-N 1 0 313.445 3.062 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)Cc2csc3ccccc23)CC[N@@H+]1C ZINC000357383832 433982663 /nfs/dbraw/zinc/98/26/63/433982663.db2.gz FAPAYHMZAAVGNV-OCCSQVGLSA-N 1 0 302.443 3.043 10 0 DGAERO c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000377773347 433988763 /nfs/dbraw/zinc/98/87/63/433988763.db2.gz GTIVZPNFRZYKJM-ZDUSSCGKSA-N 1 0 309.369 3.442 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NCc1cc(Cl)ccc1Br ZINC000414952705 433936469 /nfs/dbraw/zinc/93/64/69/433936469.db2.gz IRDYJQAJBRXDSJ-ZANVPECISA-N 1 0 317.658 3.190 10 0 DGAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CC/C=C\c2ccccc2)C1 ZINC000457122526 434002903 /nfs/dbraw/zinc/00/29/03/434002903.db2.gz OTCWRDXNYQUYRD-RLGIIYIFSA-N 1 0 300.446 3.421 10 0 DGAERO C[C@H]([NH2+]CCCC(C)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000390057866 293822071 /nfs/dbraw/zinc/82/20/71/293822071.db2.gz PSRSEOAQVUYDNM-NSHDSACASA-N 1 0 305.390 3.176 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000304531669 434013301 /nfs/dbraw/zinc/01/33/01/434013301.db2.gz BUUJEMXJRLJUDJ-ONGXEEELSA-N 1 0 304.253 3.151 10 0 DGAERO COCCC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398016988 293851456 /nfs/dbraw/zinc/85/14/56/293851456.db2.gz RIRBAOHTVLWUIV-AWEZNQCLSA-N 1 0 314.470 3.038 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000357475629 434035694 /nfs/dbraw/zinc/03/56/94/434035694.db2.gz ABNXZBYJUZGYFD-DLBZAZTESA-N 1 0 304.409 3.194 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000357475633 434035726 /nfs/dbraw/zinc/03/57/26/434035726.db2.gz ABNXZBYJUZGYFD-IRXDYDNUSA-N 1 0 304.409 3.194 10 0 DGAERO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400430710 293864096 /nfs/dbraw/zinc/86/40/96/293864096.db2.gz JWBLDMHYJPMHBA-AAEUAGOBSA-N 1 0 318.408 3.267 10 0 DGAERO CCOCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400448149 293864329 /nfs/dbraw/zinc/86/43/29/293864329.db2.gz OAJPCWSYTHMAKD-HUUCEWRRSA-N 1 0 314.470 3.038 10 0 DGAERO C[C@H]([NH2+]C(C1CC1)C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400533051 293864777 /nfs/dbraw/zinc/86/47/77/293864777.db2.gz SEXLKPNZYZOENG-WFASDCNBSA-N 1 0 308.466 3.410 10 0 DGAERO COc1ccc(C[N@H+](C[C@H](C)O)C(C)C)cc1Br ZINC000353382428 434094296 /nfs/dbraw/zinc/09/42/96/434094296.db2.gz CRUKPVQLGDAVOA-NSHDSACASA-N 1 0 316.239 3.049 10 0 DGAERO C[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CCN(Cc2ccccc2)CC1 ZINC000309682660 434095898 /nfs/dbraw/zinc/09/58/98/434095898.db2.gz AEUWDASGDYTQJG-AZUAARDMSA-N 1 0 316.489 3.134 10 0 DGAERO CC(C)[N@@H+](Cc1ccc(Br)cc1F)C[C@H](C)O ZINC000353383495 434096118 /nfs/dbraw/zinc/09/61/18/434096118.db2.gz FRGQWGHTGOXNLU-JTQLQIEISA-N 1 0 304.203 3.179 10 0 DGAERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1c(F)cccc1Br ZINC000357611997 434099398 /nfs/dbraw/zinc/09/93/98/434099398.db2.gz UCMCZBMCMLUGGC-GHMZBOCLSA-N 1 0 315.230 3.113 10 0 DGAERO C[C@@H]1[C@H](NC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000309844437 434099863 /nfs/dbraw/zinc/09/98/63/434099863.db2.gz XMCMPADWYFOUTC-CRAIPNDOSA-N 1 0 315.461 3.281 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416333115 434103256 /nfs/dbraw/zinc/10/32/56/434103256.db2.gz KGULHZVJYUCOTF-HNNXBMFYSA-N 1 0 310.482 3.105 10 0 DGAERO C[C@H](c1ccccc1Br)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311199116 434113539 /nfs/dbraw/zinc/11/35/39/434113539.db2.gz JNQUWJQETCXRFR-LALPHHSUSA-N 1 0 311.267 3.427 10 0 DGAERO c1ccc(-n2nnnc2C[NH2+][C@H]2CCCC23CCCCC3)cc1 ZINC000313053544 434117418 /nfs/dbraw/zinc/11/74/18/434117418.db2.gz RMDDLUGGHANACU-INIZCTEOSA-N 1 0 311.433 3.255 10 0 DGAERO Clc1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(Cl)s1 ZINC000312753908 434117461 /nfs/dbraw/zinc/11/74/61/434117461.db2.gz AEGASOOJJWMIEH-GXFFZTMASA-N 1 0 322.257 3.483 10 0 DGAERO COCC[N@H+](CC[C@H](C)O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000450319425 434101761 /nfs/dbraw/zinc/10/17/61/434101761.db2.gz YOROQJCUDWDKBN-STQMWFEESA-N 1 0 319.367 3.486 10 0 DGAERO COCc1ccccc1/C=C(\C)CN1CCC([NH+](C)C)CC1 ZINC000507352272 294295032 /nfs/dbraw/zinc/29/50/32/294295032.db2.gz IZJAYBQKPZZQEX-DTQAZKPQSA-N 1 0 302.462 3.262 10 0 DGAERO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)c2ccc(C)cc2)C1 ZINC000507375439 294296384 /nfs/dbraw/zinc/29/63/84/294296384.db2.gz BSYNLLIVYMMDIO-IAGOWNOFSA-N 1 0 317.477 3.130 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510929756 294396595 /nfs/dbraw/zinc/39/65/95/294396595.db2.gz FPIRBRYPDQANHY-CXAGYDPISA-N 1 0 322.424 3.074 10 0 DGAERO c1ccc2c(c1)OC[C@@H](C[NH2+][C@H]1CCCOc3ccccc31)O2 ZINC000346133804 434138214 /nfs/dbraw/zinc/13/82/14/434138214.db2.gz PSMAFNIEFAJYBR-ZBFHGGJFSA-N 1 0 311.381 3.330 10 0 DGAERO Cn1c2ccccc2nc1CN1CC[C@H](O)c2ccccc2C1 ZINC000363774318 434139408 /nfs/dbraw/zinc/13/94/08/434139408.db2.gz DXBBUCPHUFBXAK-SFHVURJKSA-N 1 0 307.397 3.013 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)o2)n[nH]1 ZINC000378331495 434142891 /nfs/dbraw/zinc/14/28/91/434142891.db2.gz IXSZKNVOIMNORW-OAHLLOKOSA-N 1 0 308.385 3.356 10 0 DGAERO OCCC1([NH2+]Cc2ccc(Br)cc2F)CCCC1 ZINC000512502291 294444465 /nfs/dbraw/zinc/44/44/65/294444465.db2.gz XTRKJPMSDKMWED-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC(C2CCCC2)CC1 ZINC000363884038 434173975 /nfs/dbraw/zinc/17/39/75/434173975.db2.gz MJHPHBNAVIOVRK-UHFFFAOYSA-N 1 0 301.434 3.190 10 0 DGAERO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000357785244 434178044 /nfs/dbraw/zinc/17/80/44/434178044.db2.gz XIJWNLZDVPSLOO-UHFFFAOYSA-N 1 0 320.399 3.442 10 0 DGAERO c1sc2ccccc2c1N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423050294 434194625 /nfs/dbraw/zinc/19/46/25/434194625.db2.gz YWNKXQMTYKBYFW-RRFJBIMHSA-N 1 0 302.443 3.470 10 0 DGAERO C[C@@H]1CCOCCN1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000378488144 434202993 /nfs/dbraw/zinc/20/29/93/434202993.db2.gz HOXYXAVMDMPJEN-LLVKDONJSA-N 1 0 308.328 3.231 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)c2)cn1 ZINC000346215465 434207045 /nfs/dbraw/zinc/20/70/45/434207045.db2.gz KFTKBUBRDBNMLQ-KRWDZBQOSA-N 1 0 317.458 3.326 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000379198402 434254581 /nfs/dbraw/zinc/25/45/81/434254581.db2.gz XLWNHKSPVQFTTF-QXAKKESOSA-N 1 0 302.462 3.198 10 0 DGAERO CN(Cc1sccc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000379777561 434265593 /nfs/dbraw/zinc/26/55/93/434265593.db2.gz VKSVQRCTVVPARV-GFCCVEGCSA-N 1 0 315.280 3.037 10 0 DGAERO c1cc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)nc(C2CC2)n1 ZINC000347141827 434265788 /nfs/dbraw/zinc/26/57/88/434265788.db2.gz HKVKQBKPZNXTKV-QGZVFWFLSA-N 1 0 314.477 3.811 10 0 DGAERO CN(Cc1sccc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000379777562 434266157 /nfs/dbraw/zinc/26/61/57/434266157.db2.gz VKSVQRCTVVPARV-LBPRGKRZSA-N 1 0 315.280 3.037 10 0 DGAERO OC1(C(F)(F)F)CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000381583599 434272170 /nfs/dbraw/zinc/27/21/70/434272170.db2.gz CEMUJBBVRJYXML-JTQLQIEISA-N 1 0 301.299 3.201 10 0 DGAERO C[NH+](C)CCCCNC(=O)Cc1ccccc1OC1CCCC1 ZINC000457550366 434232608 /nfs/dbraw/zinc/23/26/08/434232608.db2.gz BTTUAXQHKLFVEV-UHFFFAOYSA-N 1 0 318.461 3.009 10 0 DGAERO O=C1CC[C@H](C[NH2+]C2(c3ccccc3)CCCCC2)CCN1 ZINC000450582854 434281678 /nfs/dbraw/zinc/28/16/78/434281678.db2.gz SYDFDZKMPIVTLG-INIZCTEOSA-N 1 0 300.446 3.352 10 0 DGAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000384225487 434292919 /nfs/dbraw/zinc/29/29/19/434292919.db2.gz FZQDYYFPHAGQOY-PWSUYJOCSA-N 1 0 315.244 3.340 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Br)[C@H](C)O1 ZINC000384736289 434296000 /nfs/dbraw/zinc/29/60/00/434296000.db2.gz KQBNOEUQWJXMQD-VYUIOLGVSA-N 1 0 302.187 3.244 10 0 DGAERO Cc1c(Cl)c(C[N@H+]2CC[C@H](CO)[C@H]2C)nc2ccccc12 ZINC000386320794 434307536 /nfs/dbraw/zinc/30/75/36/434307536.db2.gz UEZRMPFFKPZJKT-CHWSQXEVSA-N 1 0 304.821 3.399 10 0 DGAERO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000386339112 434309975 /nfs/dbraw/zinc/30/99/75/434309975.db2.gz WTSUWHGJHIWOFW-WCQYABFASA-N 1 0 306.793 3.198 10 0 DGAERO CC(=O)N1CC[N@H+](C[C@H]2CCC(F)(F)C2)CC12CCCCC2 ZINC000450647703 434314901 /nfs/dbraw/zinc/31/49/01/434314901.db2.gz XHNMIPNRBKLEPO-HNNXBMFYSA-N 1 0 314.420 3.289 10 0 DGAERO Cc1ccccc1[C@@H](C)NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358194608 434380080 /nfs/dbraw/zinc/38/00/80/434380080.db2.gz KMNDNRIUBZYBEQ-MRXNPFEDSA-N 1 0 301.434 3.007 10 0 DGAERO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393323152 434388306 /nfs/dbraw/zinc/38/83/06/434388306.db2.gz QUKDLBCFVZOYRD-GXSJLCMTSA-N 1 0 300.244 3.097 10 0 DGAERO c1ccc(OCCCC[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000437799497 434339842 /nfs/dbraw/zinc/33/98/42/434339842.db2.gz MEFSLXHOSXHPMO-QGZVFWFLSA-N 1 0 311.429 3.109 10 0 DGAERO COC[C@@H](NC[C@@H]1CCCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC000450683880 434340875 /nfs/dbraw/zinc/34/08/75/434340875.db2.gz QSXGOUZGYCYHNP-ZWKOTPCHSA-N 1 0 308.441 3.366 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000389076290 434342434 /nfs/dbraw/zinc/34/24/34/434342434.db2.gz ZABKLOHHFPVWOR-CDMKHQONSA-N 1 0 304.217 3.121 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000389222005 434344013 /nfs/dbraw/zinc/34/40/13/434344013.db2.gz FTRKEBZMCLDXDL-KOLCDFICSA-N 1 0 315.280 3.182 10 0 DGAERO c1ccc(C[C@H]2CC[N@H+]2CCOCCOc2ccccc2)cc1 ZINC000437829675 434344598 /nfs/dbraw/zinc/34/45/98/434344598.db2.gz QSLQNPLOZABZMK-LJQANCHMSA-N 1 0 311.425 3.399 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000389834441 434353162 /nfs/dbraw/zinc/35/31/62/434353162.db2.gz JHZUXFXGMWQKHD-KWQFWETISA-N 1 0 302.205 3.113 10 0 DGAERO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390387681 434355276 /nfs/dbraw/zinc/35/52/76/434355276.db2.gz AISHTYSMPIGHKJ-FQEVSTJZSA-N 1 0 318.424 3.291 10 0 DGAERO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390387682 434357327 /nfs/dbraw/zinc/35/73/27/434357327.db2.gz AISHTYSMPIGHKJ-HXUWFJFHSA-N 1 0 318.424 3.291 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)ccc1F ZINC000358162231 434358505 /nfs/dbraw/zinc/35/85/05/434358505.db2.gz GKIBCMUAUHAGGC-OAHLLOKOSA-N 1 0 319.424 3.146 10 0 DGAERO CC(=O)N1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)[C@H](C)C1 ZINC000438102836 434409163 /nfs/dbraw/zinc/40/91/63/434409163.db2.gz WXMOIAUIYFPNSG-ATZDWAIDSA-N 1 0 300.446 3.049 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cs1 ZINC000438119749 434415445 /nfs/dbraw/zinc/41/54/45/434415445.db2.gz KJTUVNBPUXBCDN-KGLIPLIRSA-N 1 0 317.458 3.387 10 0 DGAERO Cc1ccc(N(C)[C@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)cc1 ZINC000366474300 434424032 /nfs/dbraw/zinc/42/40/32/434424032.db2.gz WXYBOCJWWYGBQH-IBGZPJMESA-N 1 0 310.445 3.194 10 0 DGAERO CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000396970889 434425279 /nfs/dbraw/zinc/42/52/79/434425279.db2.gz LTXMKKCFCSSLIR-MSRNWOCLSA-N 1 0 314.473 3.339 10 0 DGAERO Cc1nccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)n1 ZINC000366476747 434428349 /nfs/dbraw/zinc/42/83/49/434428349.db2.gz YGTRXBVMGRCSHX-UHFFFAOYSA-N 1 0 307.401 3.041 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)[C@@H](C)O1 ZINC000295677313 434429364 /nfs/dbraw/zinc/42/93/64/434429364.db2.gz KPKWGNIJDKHJCH-RTYCURFASA-N 1 0 302.462 3.195 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)n1 ZINC000359814240 434431274 /nfs/dbraw/zinc/43/12/74/434431274.db2.gz XYVZXKRTIPPWQF-UHFFFAOYSA-N 1 0 304.397 3.435 10 0 DGAERO c1ccc(OCCCC[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000438194977 434432918 /nfs/dbraw/zinc/43/29/18/434432918.db2.gz YFBUUNBOSZXJOF-WMZOPIPTSA-N 1 0 321.486 3.490 10 0 DGAERO Fc1ccc(Br)c(C[NH2+]CC2=CCOCC2)c1 ZINC000397759858 434440117 /nfs/dbraw/zinc/44/01/17/434440117.db2.gz URVGQSLCTXZTNM-UHFFFAOYSA-N 1 0 300.171 3.025 10 0 DGAERO COc1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc(Br)c1O ZINC000397643113 434440298 /nfs/dbraw/zinc/44/02/98/434440298.db2.gz BKXVRZMDMXJTRJ-JGPRNRPPSA-N 1 0 312.207 3.051 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000397629182 434441804 /nfs/dbraw/zinc/44/18/04/434441804.db2.gz NPIXZLVSGUQNKY-QXAKKESOSA-N 1 0 316.489 3.302 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1cccc(F)c1Br ZINC000398608231 434459181 /nfs/dbraw/zinc/45/91/81/434459181.db2.gz ZENGDQDXXUQZAC-CYBMUJFWSA-N 1 0 304.203 3.085 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287823238 434459740 /nfs/dbraw/zinc/45/97/40/434459740.db2.gz VIHTXLXKEBBKRV-BPLDGKMQSA-N 1 0 317.351 3.291 10 0 DGAERO C(=C/c1ccccc1)\CC[NH+]1CCC(Oc2cnccn2)CC1 ZINC000450885548 434461180 /nfs/dbraw/zinc/46/11/80/434461180.db2.gz UXVMSWLBEIBJCO-XBXARRHUSA-N 1 0 309.413 3.423 10 0 DGAERO C[C@@H]1[C@H](C(F)(F)F)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000450887403 434462356 /nfs/dbraw/zinc/46/23/56/434462356.db2.gz IMGQTSSKQZTYNN-UKRRQHHQSA-N 1 0 300.368 3.391 10 0 DGAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3Br)C[C@H]2C1 ZINC000398746599 434464362 /nfs/dbraw/zinc/46/43/62/434464362.db2.gz SNRYDHMKJCXSKE-IACUBPJLSA-N 1 0 310.235 3.042 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000399027139 434468095 /nfs/dbraw/zinc/46/80/95/434468095.db2.gz HRERVSMXZLDKEA-XUJVJEKNSA-N 1 0 311.267 3.110 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000399027131 434469233 /nfs/dbraw/zinc/46/92/33/434469233.db2.gz HRERVSMXZLDKEA-JMSVASOKSA-N 1 0 311.267 3.110 10 0 DGAERO CC(C)OCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400488351 434485421 /nfs/dbraw/zinc/48/54/21/434485421.db2.gz YGTUTDUBNWLXEQ-HUUCEWRRSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400516269 434487102 /nfs/dbraw/zinc/48/71/02/434487102.db2.gz BZTRSZSFRFCWIX-HOJAQTOUSA-N 1 0 316.489 3.303 10 0 DGAERO C[C@H]([NH2+]C1CCSCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739559 434489561 /nfs/dbraw/zinc/48/95/61/434489561.db2.gz SLFPCUJEQHNGES-STQMWFEESA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@H]([NH2+]C1CCSCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739555 434492689 /nfs/dbraw/zinc/49/26/89/434492689.db2.gz SLFPCUJEQHNGES-OLZOCXBDSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@H](O)CC[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000450946035 434498367 /nfs/dbraw/zinc/49/83/67/434498367.db2.gz XUFIHYINNSIBSM-CQSZACIVSA-N 1 0 301.455 3.488 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCCO1 ZINC000397979599 434449476 /nfs/dbraw/zinc/44/94/76/434449476.db2.gz GBOZWJZJFXIMSK-YTQUADARSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCCO1 ZINC000397979598 434449912 /nfs/dbraw/zinc/44/99/12/434449912.db2.gz GBOZWJZJFXIMSK-WDSOQIARSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)[C@H]1CCCO1 ZINC000397979597 434452730 /nfs/dbraw/zinc/45/27/30/434452730.db2.gz GBOZWJZJFXIMSK-UHOSZYNNSA-N 1 0 302.462 3.198 10 0 DGAERO COc1ccc(CCC[NH2+]CC2(OC)CCCC2)cc1OC ZINC000359976550 434456346 /nfs/dbraw/zinc/45/63/46/434456346.db2.gz OTQPMPJENUJKEH-UHFFFAOYSA-N 1 0 307.434 3.185 10 0 DGAERO O[C@@]1(CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCOC1 ZINC000404203984 434507735 /nfs/dbraw/zinc/50/77/35/434507735.db2.gz SOLGRDNAEXKHLX-HIFRSBDPSA-N 1 0 313.850 3.008 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCc2cc(Cl)ccc2C1 ZINC000360093560 434515248 /nfs/dbraw/zinc/51/52/48/434515248.db2.gz MVYTYJAPBLNVCD-MRXNPFEDSA-N 1 0 306.837 3.099 10 0 DGAERO C[C@]1(F)CCN(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000360114800 434522600 /nfs/dbraw/zinc/52/26/00/434522600.db2.gz IWOOTNHQVRWFKW-ZDUSSCGKSA-N 1 0 312.186 3.259 10 0 DGAERO Cc1cc(C[N@@H+](C)CC[C@@H](C)O)cc(C)c1OCC(F)(F)F ZINC000438976292 434551951 /nfs/dbraw/zinc/55/19/51/434551951.db2.gz GWRLJYGPEMVFSF-CYBMUJFWSA-N 1 0 319.367 3.447 10 0 DGAERO C[N@H+](CCC1CCCC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000525623571 295022262 /nfs/dbraw/zinc/02/22/62/295022262.db2.gz MIQMHHBFEFPJIM-KRWDZBQOSA-N 1 0 304.409 3.443 10 0 DGAERO Cc1cc(N2CCC[C@@]3(CCCOC3)C2)nc(-c2ccncc2)n1 ZINC000408298937 434561646 /nfs/dbraw/zinc/56/16/46/434561646.db2.gz AKFQJNOMMHRGES-LJQANCHMSA-N 1 0 324.428 3.244 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000526000992 295049807 /nfs/dbraw/zinc/04/98/07/295049807.db2.gz BZMYKCCLMIHAFU-RDJZCZTQSA-N 1 0 321.440 3.055 10 0 DGAERO c1c[nH]c(C2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)n1 ZINC000527075846 295075891 /nfs/dbraw/zinc/07/58/91/295075891.db2.gz JJIACJGFJPPHLJ-UHFFFAOYSA-N 1 0 321.428 3.034 10 0 DGAERO Cc1cc(N2CCC([NH2+][C@H]3CCCC[C@@H]3C3CC3)CC2)n[nH]1 ZINC000439138574 434569883 /nfs/dbraw/zinc/56/98/83/434569883.db2.gz KJEMIGOBVVTXAC-SJORKVTESA-N 1 0 302.466 3.245 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)CCO1 ZINC000527688664 295115712 /nfs/dbraw/zinc/11/57/12/295115712.db2.gz RVBKRHJOASFNNV-WPRPVWTQSA-N 1 0 320.177 3.384 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2ccsc2Br)C1 ZINC000527720229 295120617 /nfs/dbraw/zinc/12/06/17/295120617.db2.gz IDNFMYHDNGOZOZ-ONGXEEELSA-N 1 0 304.253 3.151 10 0 DGAERO c1cnc(Oc2ccc(C[NH2+]CC[C@@H]3CCCOC3)cc2)cn1 ZINC000527735857 295122975 /nfs/dbraw/zinc/12/29/75/295122975.db2.gz DJCPJWHISYZMSZ-INIZCTEOSA-N 1 0 313.401 3.175 10 0 DGAERO c1ccc(CCN2CCC([NH2+]CC[C@@H]3CCCOC3)CC2)cc1 ZINC000527740535 295123518 /nfs/dbraw/zinc/12/35/18/295123518.db2.gz VDPHKEJMHVEVDN-IBGZPJMESA-N 1 0 316.489 3.100 10 0 DGAERO c1ccc([C@H]([NH2+]Cc2cnc(N3CCCC3)nc2)C2CCC2)nc1 ZINC000527770805 295127760 /nfs/dbraw/zinc/12/77/60/295127760.db2.gz GVXAJPSVZTZTOC-GOSISDBHSA-N 1 0 323.444 3.103 10 0 DGAERO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000527783765 295129947 /nfs/dbraw/zinc/12/99/47/295129947.db2.gz SZGLIDKWTHGRQI-MSOLQXFVSA-N 1 0 317.408 3.285 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000527807311 295133846 /nfs/dbraw/zinc/13/38/46/295133846.db2.gz ZFNMBTGXWXUOHT-JXVAYASWSA-N 1 0 304.253 3.412 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527810086 295134402 /nfs/dbraw/zinc/13/44/02/295134402.db2.gz USTDGKLDESLSEN-GOSISDBHSA-N 1 0 310.445 3.183 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)o1 ZINC000527807980 295134591 /nfs/dbraw/zinc/13/45/91/295134591.db2.gz OMCLZSMAQAAWJI-LBPRGKRZSA-N 1 0 313.239 3.149 10 0 DGAERO Cc1cc2cc[nH]c2cc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000408442826 434576411 /nfs/dbraw/zinc/57/64/11/434576411.db2.gz LKYYYVPTVTXELC-UHFFFAOYSA-N 1 0 300.406 3.034 10 0 DGAERO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CC1(C)C ZINC000439217593 434577837 /nfs/dbraw/zinc/57/78/37/434577837.db2.gz RTRJPNCSMHGQRN-GFCCVEGCSA-N 1 0 323.403 3.091 10 0 DGAERO Brc1ccnc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528207446 295186799 /nfs/dbraw/zinc/18/67/99/295186799.db2.gz GWJIGLUHBDYLSH-ZDUSSCGKSA-N 1 0 310.239 3.273 10 0 DGAERO c1c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)[nH]nc1-c1ccccc1 ZINC000354019322 434580335 /nfs/dbraw/zinc/58/03/35/434580335.db2.gz WZSCLZGJUQQTJA-KRWDZBQOSA-N 1 0 311.429 3.325 10 0 DGAERO C[C@H]1CN(C(=O)CCCSc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000423955547 434588481 /nfs/dbraw/zinc/58/84/81/434588481.db2.gz OYWVCEUKLDSSQF-FZMZJTMJSA-N 1 0 312.866 3.018 10 0 DGAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261753797 295298063 /nfs/dbraw/zinc/29/80/63/295298063.db2.gz UDMNBINTPDZXQC-YVECIDJPSA-N 1 0 306.372 3.131 10 0 DGAERO COc1ccccc1[C@H](C)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155512203 295397752 /nfs/dbraw/zinc/39/77/52/295397752.db2.gz WIECCECWRYVLHZ-INMHGKMJSA-N 1 0 318.461 3.034 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000354096002 434617901 /nfs/dbraw/zinc/61/79/01/434617901.db2.gz GLHSEUMSXHWRFT-HUUCEWRRSA-N 1 0 315.442 3.064 10 0 DGAERO c1ccc(COc2cccc(C[NH+]3CC4(C3)CCOCC4)c2)nc1 ZINC000459624588 434634717 /nfs/dbraw/zinc/63/47/17/434634717.db2.gz UADSMFWNCBBZRK-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO CCOc1ccc(C[NH+]2CC(C)(CCOC)C2)cc1OCC ZINC000459636632 434640668 /nfs/dbraw/zinc/64/06/68/434640668.db2.gz WOABAIBGETUXQN-UHFFFAOYSA-N 1 0 307.434 3.342 10 0 DGAERO O=C(C1CCC(F)(F)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000131954547 295440022 /nfs/dbraw/zinc/44/00/22/295440022.db2.gz VBGNVHPWTNZRTH-HNNXBMFYSA-N 1 0 314.420 3.289 10 0 DGAERO c1cn(-c2csc(C[NH+]3CCC([C@H]4CCCO4)CC3)c2)cn1 ZINC000439769090 434644634 /nfs/dbraw/zinc/64/46/34/434644634.db2.gz SLRILLUZFGEPMD-QGZVFWFLSA-N 1 0 317.458 3.325 10 0 DGAERO O[C@H]1[C@@H](C[NH2+]CCc2ccc(Cl)cc2)CCC12CCOCC2 ZINC000459551131 434603608 /nfs/dbraw/zinc/60/36/08/434603608.db2.gz ZQYGEMZCQDXCHF-WBVHZDCISA-N 1 0 323.864 3.040 10 0 DGAERO Brc1ccc2c(c1)C=C(C[NH2+][C@H]1CC13CC3)CO2 ZINC000424182763 434648824 /nfs/dbraw/zinc/64/88/24/434648824.db2.gz HMYZNVIRTOVUIX-AWEZNQCLSA-N 1 0 306.203 3.367 10 0 DGAERO C=Cn1cc(C[NH2+]C[C@@H](CC(C)C)C(=O)OC(C)(C)C)cn1 ZINC000424185701 434649367 /nfs/dbraw/zinc/64/93/67/434649367.db2.gz HDDGDFQIUONRGY-OAHLLOKOSA-N 1 0 307.438 3.077 10 0 DGAERO c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+][C@@H]1CC12CC2 ZINC000424181224 434651481 /nfs/dbraw/zinc/65/14/81/434651481.db2.gz BCYLWXFULZOJRY-CQSZACIVSA-N 1 0 300.383 3.181 10 0 DGAERO c1ccc2c(c1)CO[C@]21CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000360669356 434663732 /nfs/dbraw/zinc/66/37/32/434663732.db2.gz OLJWVEOFBAYOSO-MJGOQNOKSA-N 1 0 301.430 3.467 10 0 DGAERO COC(=O)c1ccc(C[NH2+]CC[C@H](C)F)c(Br)c1 ZINC000354200719 434665330 /nfs/dbraw/zinc/66/53/30/434665330.db2.gz PXJXDZNRQIOGRD-VIFPVBQESA-N 1 0 318.186 3.073 10 0 DGAERO C[NH+]1CCC(CC(=O)NCc2cc(C3CC3)ccc2F)CC1 ZINC000452718732 434690718 /nfs/dbraw/zinc/69/07/18/434690718.db2.gz QQOPNJJZRYLSIC-UHFFFAOYSA-N 1 0 304.409 3.051 10 0 DGAERO OC[C@@]1([NH2+]CCOc2ccc(F)cc2)CCCc2ccccc21 ZINC000440820321 434746228 /nfs/dbraw/zinc/74/62/28/434746228.db2.gz YMJCVYQHZWTRNT-IBGZPJMESA-N 1 0 315.388 3.018 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000460215918 434748332 /nfs/dbraw/zinc/74/83/32/434748332.db2.gz OBEGHGPBTHYWIX-UHFFFAOYSA-N 1 0 319.493 3.391 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000460228593 434749732 /nfs/dbraw/zinc/74/97/32/434749732.db2.gz JGMONJGWERZURU-UHFFFAOYSA-N 1 0 315.461 3.259 10 0 DGAERO c1ccc(COc2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)cc2)nc1 ZINC000459772015 434713507 /nfs/dbraw/zinc/71/35/07/434713507.db2.gz TXAMMBJHKNQBLW-WMZOPIPTSA-N 1 0 312.438 3.350 10 0 DGAERO CC[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H](C)OC ZINC000361019386 434768257 /nfs/dbraw/zinc/76/82/57/434768257.db2.gz ZHBOGXFYGUISQB-JTQLQIEISA-N 1 0 304.203 3.445 10 0 DGAERO CC(C)COC[C@@H](O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000440935338 434757972 /nfs/dbraw/zinc/75/79/72/434757972.db2.gz KRIVPDXRUOXSPA-SFHVURJKSA-N 1 0 305.462 3.469 10 0 DGAERO CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1cccc(C)c1 ZINC000460446395 434758278 /nfs/dbraw/zinc/75/82/78/434758278.db2.gz HMMJOWCURHHFQM-ZDUSSCGKSA-N 1 0 304.463 3.316 10 0 DGAERO CC(C)=CCC[C@@H](C)CC[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000360998791 434760260 /nfs/dbraw/zinc/76/02/60/434760260.db2.gz YWZDKFPFAPUSGV-AEFFLSMTSA-N 1 0 322.493 3.129 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCC23CCC3)C1 ZINC000445262047 297356752 /nfs/dbraw/zinc/35/67/52/297356752.db2.gz JXJCOFYQZXHHSK-IYBDPMFKSA-N 1 0 321.509 3.471 10 0 DGAERO COC1([C@H](C)[NH2+]CCCCOc2ccc(C)cc2)CCOCC1 ZINC000453070344 434790540 /nfs/dbraw/zinc/79/05/40/434790540.db2.gz UYYBCULFPBTYLM-KRWDZBQOSA-N 1 0 321.461 3.328 10 0 DGAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC12CCC2 ZINC000445258880 434792362 /nfs/dbraw/zinc/79/23/62/434792362.db2.gz BUALAOQIBVWOMQ-OWCLPIDISA-N 1 0 307.482 3.081 10 0 DGAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC23CCC3)C1 ZINC000445259029 434792405 /nfs/dbraw/zinc/79/24/05/434792405.db2.gz BRQGDCNEGWNANP-HNNXBMFYSA-N 1 0 307.482 3.225 10 0 DGAERO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3ccccc3n1)CO2 ZINC000453074881 434793502 /nfs/dbraw/zinc/79/35/02/434793502.db2.gz KERPMDQUOODYII-KRWDZBQOSA-N 1 0 320.392 3.337 10 0 DGAERO COC1([C@H](C)[NH2+]CCSCc2ccc(C)cc2)CCOCC1 ZINC000453087373 434796903 /nfs/dbraw/zinc/79/69/03/434796903.db2.gz NTKOZZDJFIOKLC-INIZCTEOSA-N 1 0 323.502 3.402 10 0 DGAERO COc1cccc(Cl)c1C[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453217053 434831779 /nfs/dbraw/zinc/83/17/79/434831779.db2.gz RGGOUZDEYNOWDP-LBPRGKRZSA-N 1 0 313.825 3.022 10 0 DGAERO CC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000361239707 434837841 /nfs/dbraw/zinc/83/78/41/434837841.db2.gz XHROUTLYFKIADH-OAHLLOKOSA-N 1 0 305.809 3.341 10 0 DGAERO C[C@H](CCCO)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453281153 434847941 /nfs/dbraw/zinc/84/79/41/434847941.db2.gz RXOUFPVBIMBTMG-BXUZGUMPSA-N 1 0 316.367 3.476 10 0 DGAERO COC[C@H](O)C[NH2+][C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000553831015 434903611 /nfs/dbraw/zinc/90/36/11/434903611.db2.gz RSQVYAJFOBVARV-APWZRJJASA-N 1 0 311.381 3.119 10 0 DGAERO c1cn2cc(C[NH2+]C3CC(OCc4ccccc4)C3)nc2s1 ZINC000492058564 434908621 /nfs/dbraw/zinc/90/86/21/434908621.db2.gz DYGQNXLJLHSBRF-UHFFFAOYSA-N 1 0 313.426 3.233 10 0 DGAERO C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(F)c(F)c1 ZINC000461101785 434871572 /nfs/dbraw/zinc/87/15/72/434871572.db2.gz NAGOLZPINKNYBU-NSHDSACASA-N 1 0 305.372 3.428 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(-c2nccc(C)n2)c1 ZINC000522929458 434937596 /nfs/dbraw/zinc/93/75/96/434937596.db2.gz XATHMTWBYAPXKX-QGZVFWFLSA-N 1 0 324.428 3.265 10 0 DGAERO CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000554845903 434949113 /nfs/dbraw/zinc/94/91/13/434949113.db2.gz HICRGXCCZVERSD-REPLKXPHSA-N 1 0 312.457 3.265 10 0 DGAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]3CCOC3)C1)O2 ZINC000462796877 434930421 /nfs/dbraw/zinc/93/04/21/434930421.db2.gz YJZWPCVTBUCLIA-VDHUWJSZSA-N 1 0 301.430 3.175 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000462811502 434931247 /nfs/dbraw/zinc/93/12/47/434931247.db2.gz XAYKHNBFTQXWSD-SJORKVTESA-N 1 0 307.434 3.386 10 0 DGAERO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)C(C)(C)C ZINC000556122980 434996693 /nfs/dbraw/zinc/99/66/93/434996693.db2.gz HRMKSYLLBHABDZ-CYBMUJFWSA-N 1 0 305.340 3.424 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CCC(C)(CC)CC2)CC1 ZINC000466089995 435061533 /nfs/dbraw/zinc/06/15/33/435061533.db2.gz BEYHZLLWXAZHHY-UHFFFAOYSA-N 1 0 309.498 3.330 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000557664772 435062449 /nfs/dbraw/zinc/06/24/49/435062449.db2.gz NIQITVSLCLJAPG-UHFFFAOYSA-N 1 0 306.425 3.048 10 0 DGAERO CCc1ccc(-c2ccc(C[NH2+][C@](C)(CCO)COC)o2)cc1 ZINC000531172433 435076175 /nfs/dbraw/zinc/07/61/75/435076175.db2.gz WGCASEZTOPUTDQ-LJQANCHMSA-N 1 0 317.429 3.386 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCCC[C@H]2C)CC1 ZINC000465709399 435039631 /nfs/dbraw/zinc/03/96/31/435039631.db2.gz CUMOSZLTTLTWCP-NVXWUHKLSA-N 1 0 309.498 3.234 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000465910835 435049872 /nfs/dbraw/zinc/04/98/72/435049872.db2.gz OWRCUXFXCIMLFF-ZMSDIMECSA-N 1 0 309.498 3.232 10 0 DGAERO c1ccc(COC2CC([NH2+][C@H]3COc4ccccc4C3)C2)cc1 ZINC000557337941 435051059 /nfs/dbraw/zinc/05/10/59/435051059.db2.gz FYDDORBCRMKWIM-JLAWEPINSA-N 1 0 309.409 3.328 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000466747212 435090443 /nfs/dbraw/zinc/09/04/43/435090443.db2.gz GDEFTJOVBXHNTL-MRXNPFEDSA-N 1 0 307.482 3.273 10 0 DGAERO C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(-n2cccn2)cc1 ZINC000532217036 435147466 /nfs/dbraw/zinc/14/74/66/435147466.db2.gz CLTNKMIWCVVCDP-OAHLLOKOSA-N 1 0 307.397 3.471 10 0 DGAERO CC(=O)N1CCC([NH2+]C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000474474344 435148740 /nfs/dbraw/zinc/14/87/40/435148740.db2.gz LTZUBUSIIJJNSG-SFHVURJKSA-N 1 0 302.462 3.417 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)NCCCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000532061762 435137183 /nfs/dbraw/zinc/13/71/83/435137183.db2.gz IRRVPZYDGQMVNE-MAUKXSAKSA-N 1 0 315.461 3.139 10 0 DGAERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000470941196 435137255 /nfs/dbraw/zinc/13/72/55/435137255.db2.gz UCUINIVSLMKKDL-JHJVBQTASA-N 1 0 320.399 3.296 10 0 DGAERO C[C@H]1C[C@H](NC(=O)NCCCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000532061764 435137969 /nfs/dbraw/zinc/13/79/69/435137969.db2.gz IRRVPZYDGQMVNE-YJBOKZPZSA-N 1 0 315.461 3.139 10 0 DGAERO c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCSC3(CCOCC3)C1)C2 ZINC000473210085 435142307 /nfs/dbraw/zinc/14/23/07/435142307.db2.gz SNXWVEPDTMPREX-MRXNPFEDSA-N 1 0 317.498 3.390 10 0 DGAERO C[C@@H](OCc1ccccc1)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639070015 435144238 /nfs/dbraw/zinc/14/42/38/435144238.db2.gz CLJQIJHZTAKVNK-NVXWUHKLSA-N 1 0 324.424 3.071 10 0 DGAERO c1csc(N2CCC([NH2+]Cc3cc4cccnc4o3)CC2)n1 ZINC000579315052 435145770 /nfs/dbraw/zinc/14/57/70/435145770.db2.gz SEVQIEIYPSVTQC-UHFFFAOYSA-N 1 0 314.414 3.043 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc(OC)c1 ZINC000475270277 435185540 /nfs/dbraw/zinc/18/55/40/435185540.db2.gz QCJQNLZJDVISCE-HZMBPMFUSA-N 1 0 303.324 3.477 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(OC)c1 ZINC000475287693 435186708 /nfs/dbraw/zinc/18/67/08/435186708.db2.gz OOGLZQZWJXQNLK-GWCFXTLKSA-N 1 0 303.324 3.477 10 0 DGAERO C[C@@H]1CCN(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000532845340 435194761 /nfs/dbraw/zinc/19/47/61/435194761.db2.gz UVDJHYYLTXCTBO-ZIFCJYIRSA-N 1 0 302.462 3.086 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)CC/C=C\c1ccccc1 ZINC000474615415 435153994 /nfs/dbraw/zinc/15/39/94/435153994.db2.gz RIJQASSPMDVGKK-GHXNOFRVSA-N 1 0 300.446 3.423 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H](O)C1CCCCC1)CC2 ZINC000474939331 435168464 /nfs/dbraw/zinc/16/84/64/435168464.db2.gz BEDIHVRMJKAGNI-FQEVSTJZSA-N 1 0 315.457 3.231 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ccccc3)C1=O)CC2 ZINC000532538884 435175350 /nfs/dbraw/zinc/17/53/50/435175350.db2.gz VCZJFFYQRPFYHA-RBUKOAKNSA-N 1 0 306.409 3.377 10 0 DGAERO c1ccc(-c2ncc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)cn2)cc1 ZINC000532647240 435183661 /nfs/dbraw/zinc/18/36/61/435183661.db2.gz NMOFFNVILCLJAG-ROUUACIJSA-N 1 0 309.413 3.145 10 0 DGAERO C[C@@H]1C[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000533739851 435255208 /nfs/dbraw/zinc/25/52/08/435255208.db2.gz GZSRWGRVHMIUDO-ZJUUUORDSA-N 1 0 311.216 3.320 10 0 DGAERO CO[C@]1(C)CCC[N@H+](Cc2nnc(-c3cc(C)oc3C)o2)CC1 ZINC000584028647 435268125 /nfs/dbraw/zinc/26/81/25/435268125.db2.gz HMINABDIGFTSJA-QGZVFWFLSA-N 1 0 319.405 3.337 10 0 DGAERO C[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(F)c(F)c1 ZINC000477963141 435287448 /nfs/dbraw/zinc/28/74/48/435287448.db2.gz HDQXKUXOIRJVNI-LRVUVFPRSA-N 1 0 322.399 3.201 10 0 DGAERO Cc1ccc(-c2noc(CN(C)CCCOC(C)C)n2)cc1 ZINC000567285624 435304250 /nfs/dbraw/zinc/30/42/50/435304250.db2.gz CKRNGSDVZGHOBI-UHFFFAOYSA-N 1 0 303.406 3.292 10 0 DGAERO c1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)[C@@H]3CCOC[C@@H]23)cc1 ZINC000511793941 435333210 /nfs/dbraw/zinc/33/32/10/435333210.db2.gz CRCPQWPRNQYRCK-LWYYNNOASA-N 1 0 315.457 3.450 10 0 DGAERO COc1cccc(OC)c1C[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000511764661 435333263 /nfs/dbraw/zinc/33/32/63/435333263.db2.gz HSHRJPIQBWNGPF-SFHVURJKSA-N 1 0 307.434 3.125 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000535583604 435338112 /nfs/dbraw/zinc/33/81/12/435338112.db2.gz UCRGTBOFDSHPFS-HXUWFJFHSA-N 1 0 314.473 3.332 10 0 DGAERO c1ccc(C[N@@H+](CCN2CCCc3ccccc32)C2CC2)nc1 ZINC000536790848 435411128 /nfs/dbraw/zinc/41/11/28/435411128.db2.gz SZJZIPJWZAMCCA-UHFFFAOYSA-N 1 0 307.441 3.499 10 0 DGAERO COC[C@H](CC(C)C)[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000536875431 435415890 /nfs/dbraw/zinc/41/58/90/435415890.db2.gz IFEFJLAUGLUDPJ-HOCLYGCPSA-N 1 0 309.450 3.286 10 0 DGAERO CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cccc(Cl)c2F)C1 ZINC000643772553 435368014 /nfs/dbraw/zinc/36/80/14/435368014.db2.gz HCIPDBALFUALLZ-YPMHNXCESA-N 1 0 309.772 3.164 10 0 DGAERO COC(=O)[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC1 ZINC000513443614 435389165 /nfs/dbraw/zinc/38/91/65/435389165.db2.gz OLVDDBGTNCEYHR-SFHVURJKSA-N 1 0 316.445 3.079 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000568072332 435389383 /nfs/dbraw/zinc/38/93/83/435389383.db2.gz LWWIHGIETNADFA-HNNXBMFYSA-N 1 0 314.458 3.095 10 0 DGAERO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480712978 435390531 /nfs/dbraw/zinc/39/05/31/435390531.db2.gz VPCOWDMGGQMKPU-IAGOWNOFSA-N 1 0 319.493 3.469 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000513527981 435390757 /nfs/dbraw/zinc/39/07/57/435390757.db2.gz WEBOQOQLGJEXAK-SFXKOGKDSA-N 1 0 306.837 3.377 10 0 DGAERO C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccc(Cl)cc1Cl ZINC000644008802 435392288 /nfs/dbraw/zinc/39/22/88/435392288.db2.gz FBHWWPOEPKUPGF-PRHODGIISA-N 1 0 301.217 3.169 10 0 DGAERO C[C@@H]1CCC[C@H](C[NH2+]Cc2c(Br)cnn2C)[C@@H]1C ZINC000481825288 435444656 /nfs/dbraw/zinc/44/46/56/435444656.db2.gz QHYKIOXXNNZRIJ-IJLUTSLNSA-N 1 0 314.271 3.345 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc2c1OCC2 ZINC000482168906 435456860 /nfs/dbraw/zinc/45/68/60/435456860.db2.gz IHTYKFKHZRQRBC-RTBURBONSA-N 1 0 315.457 3.303 10 0 DGAERO COC(=O)[C@H](C1CC1)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000481836061 435443824 /nfs/dbraw/zinc/44/38/24/435443824.db2.gz MUBJWENVWVWGQX-INIZCTEOSA-N 1 0 307.821 3.471 10 0 DGAERO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000483285534 435509186 /nfs/dbraw/zinc/50/91/86/435509186.db2.gz NQCGXFBILXVFDN-RDJZCZTQSA-N 1 0 312.461 3.486 10 0 DGAERO COc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)ccn1 ZINC000516444174 435530336 /nfs/dbraw/zinc/53/03/36/435530336.db2.gz DHYWJBWCBLDNMO-OAHLLOKOSA-N 1 0 322.412 3.186 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000482985404 435491214 /nfs/dbraw/zinc/49/12/14/435491214.db2.gz DFTYRVKIYGDHDR-BZSNNMDCSA-N 1 0 316.489 3.349 10 0 DGAERO Cc1ccccc1OCCC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000483189019 435502173 /nfs/dbraw/zinc/50/21/73/435502173.db2.gz AXRRUYLVYMWRCF-LJQANCHMSA-N 1 0 319.445 3.034 10 0 DGAERO C[C@@H]1C[C@H]1[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(Cl)cc1 ZINC000539422515 435552286 /nfs/dbraw/zinc/55/22/86/435552286.db2.gz QRYQURSATHMQCB-XHBKTUGNSA-N 1 0 320.864 3.495 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCCc2ccc(OC)c(OC)c2)C1(C)C ZINC000539499570 435556008 /nfs/dbraw/zinc/55/60/08/435556008.db2.gz HRTHEOVBAZDJSC-ZWKOTPCHSA-N 1 0 321.461 3.430 10 0 DGAERO c1c(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)[nH]nc1-c1ccccc1 ZINC000516866992 435558959 /nfs/dbraw/zinc/55/89/59/435558959.db2.gz CYYKKNIQXGUMER-MJGOQNOKSA-N 1 0 310.445 3.183 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2sc3cc(F)ccc3c2C)C1 ZINC000485137545 435560552 /nfs/dbraw/zinc/56/05/52/435560552.db2.gz GTPLVAZQBXYWHZ-GFCCVEGCSA-N 1 0 320.433 3.420 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000540156163 435591149 /nfs/dbraw/zinc/59/11/49/435591149.db2.gz FPILHLBIMRUMOR-YJBOKZPZSA-N 1 0 317.477 3.340 10 0 DGAERO C[C@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000484009458 435537218 /nfs/dbraw/zinc/53/72/18/435537218.db2.gz AZJITILOGKBGOB-HNNXBMFYSA-N 1 0 321.440 3.089 10 0 DGAERO C[C@@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000484009463 435538314 /nfs/dbraw/zinc/53/83/14/435538314.db2.gz AZJITILOGKBGOB-OAHLLOKOSA-N 1 0 321.440 3.089 10 0 DGAERO c1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]2CCOC2)cc1 ZINC000540410901 435599982 /nfs/dbraw/zinc/59/99/82/435599982.db2.gz FAUWREJEGSIWKN-AZUAARDMSA-N 1 0 314.473 3.228 10 0 DGAERO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)CCC[NH+](C)C ZINC000540514734 435605025 /nfs/dbraw/zinc/60/50/25/435605025.db2.gz CNLAADYEHYHMPH-GFCCVEGCSA-N 1 0 314.882 3.231 10 0 DGAERO CCCOc1ccc(Cl)cc1C(=O)N(C)CCC[NH+](C)C ZINC000540516940 435605959 /nfs/dbraw/zinc/60/59/59/435605959.db2.gz ZZLXIIXJRGKRLN-UHFFFAOYSA-N 1 0 312.841 3.153 10 0 DGAERO c1cnn(-c2cccc(C[NH2+]C[C@H]3CC34CCSCC4)c2)c1 ZINC000570792319 435650541 /nfs/dbraw/zinc/65/05/41/435650541.db2.gz XIZYVTXQEWFZTH-MRXNPFEDSA-N 1 0 313.470 3.495 10 0 DGAERO CC1(C)CCC[C@@H](C[NH2+]Cc2cccc(N3CCOCC3)n2)C1 ZINC000547829188 435650591 /nfs/dbraw/zinc/65/05/91/435650591.db2.gz HOZIFPYGYAFMCP-MRXNPFEDSA-N 1 0 317.477 3.224 10 0 DGAERO CC[C@@]1(CO)CCCN(Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000547974411 435657793 /nfs/dbraw/zinc/65/77/93/435657793.db2.gz DJGJCSZVXZVUGM-GOSISDBHSA-N 1 0 315.417 3.030 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000491382106 435739415 /nfs/dbraw/zinc/73/94/15/435739415.db2.gz AMVLHSPSJICPCA-OKZBNKHCSA-N 1 0 310.445 3.385 10 0 DGAERO CC(C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000520447778 435745400 /nfs/dbraw/zinc/74/54/00/435745400.db2.gz CTGSLVKUIMRDGQ-CQSZACIVSA-N 1 0 318.417 3.112 10 0 DGAERO CCC(CC)(CCO)[NH2+]Cc1nc(-c2ccc(C)cc2)no1 ZINC000549179630 435748339 /nfs/dbraw/zinc/74/83/39/435748339.db2.gz AMKBQYNQCQYCLA-UHFFFAOYSA-N 1 0 303.406 3.076 10 0 DGAERO O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491276265 435723376 /nfs/dbraw/zinc/72/33/76/435723376.db2.gz DBIMQZXIKHMTNW-CABCVRRESA-N 1 0 313.363 3.341 10 0 DGAERO Cc1ncc(C[NH2+][C@H](C)c2cccc(Br)c2)n1C ZINC000657298933 436123576 /nfs/dbraw/zinc/12/35/76/436123576.db2.gz QIKWGEFYXXHQFC-SNVBAGLBSA-N 1 0 308.223 3.342 10 0 DGAERO Cc1nc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[nH]c1C ZINC000657432792 436198450 /nfs/dbraw/zinc/19/84/50/436198450.db2.gz KECJDRFUVBMVNP-GUDVDZBRSA-N 1 0 324.472 3.027 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCc3n[nH]cc3C1)CCCO2 ZINC000090454348 301448938 /nfs/dbraw/zinc/44/89/38/301448938.db2.gz MWPPPULYPODDNZ-CRAIPNDOSA-N 1 0 311.429 3.387 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1Cl ZINC000658245320 436409930 /nfs/dbraw/zinc/40/99/30/436409930.db2.gz RHPJYYRRNGAZJN-VHSXEESVSA-N 1 0 301.217 3.122 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000659359484 436499658 /nfs/dbraw/zinc/49/96/58/436499658.db2.gz RXYREQQTXQIANQ-QWRGUYRKSA-N 1 0 301.217 3.127 10 0 DGAERO Cc1ccccc1[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000112218554 302191722 /nfs/dbraw/zinc/19/17/22/302191722.db2.gz PQBWRVFNXLQWHI-DOTOQJQBSA-N 1 0 303.450 3.038 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000261887444 303425080 /nfs/dbraw/zinc/42/50/80/303425080.db2.gz ZXQZQNWHTYEDQY-ATZDWAIDSA-N 1 0 312.457 3.430 10 0 DGAERO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCCC23CCC3)c1C ZINC000444792632 533695928 /nfs/dbraw/zinc/69/59/28/533695928.db2.gz PZZGNGSGXVDHSI-KRWDZBQOSA-N 1 0 303.446 3.370 10 0 DGAERO c1ccc(C2(C[NH+](C[C@@H]3CCCO3)C[C@@H]3CCCO3)CC2)cc1 ZINC000343061439 304853991 /nfs/dbraw/zinc/85/39/91/304853991.db2.gz ACUKVPDJUQAWHW-OALUTQOASA-N 1 0 315.457 3.378 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)C1CCCCC1 ZINC000166642259 312694757 /nfs/dbraw/zinc/69/47/57/312694757.db2.gz DPYFNCRBNKGULA-FUHWJXTLSA-N 1 0 304.482 3.337 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000179612746 312810891 /nfs/dbraw/zinc/81/08/91/312810891.db2.gz ASNRGPURESPDIJ-LLVKDONJSA-N 1 0 314.376 3.243 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1Cl ZINC000528690583 313059384 /nfs/dbraw/zinc/05/93/84/313059384.db2.gz YFVDVKWSFGANHP-HNNXBMFYSA-N 1 0 323.824 3.004 10 0 DGAERO Brc1sccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000529541892 313222691 /nfs/dbraw/zinc/22/26/91/313222691.db2.gz MRBMKXBQCGNKNQ-UHFFFAOYSA-N 1 0 302.237 3.123 10 0 DGAERO c1c(C[NH2+]CC2CCc3ccccc3CC2)nc2ncccn12 ZINC000529636473 313243949 /nfs/dbraw/zinc/24/39/49/313243949.db2.gz CMCZAAYXJTWFSM-UHFFFAOYSA-N 1 0 306.413 3.014 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC000530214939 313340514 /nfs/dbraw/zinc/34/05/14/313340514.db2.gz DYHLWTLSQQNUIC-MJGOQNOKSA-N 1 0 322.456 3.124 10 0 DGAERO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(Br)c(F)c1F ZINC000530223600 313342353 /nfs/dbraw/zinc/34/23/53/313342353.db2.gz OCPUFLOLAMVAAG-PSASIEDQSA-N 1 0 319.193 3.039 10 0 DGAERO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@H](O)CC(F)(F)F ZINC000530337168 313359245 /nfs/dbraw/zinc/35/92/45/313359245.db2.gz MNHAHKOGNNARLM-NWDGAFQWSA-N 1 0 305.340 3.438 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)CC2CCSCC2)CC1 ZINC000531889822 313500626 /nfs/dbraw/zinc/50/06/26/313500626.db2.gz SFHJFLLXGLZXRJ-UHFFFAOYSA-N 1 0 312.523 3.100 10 0 DGAERO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000536831895 313786497 /nfs/dbraw/zinc/78/64/97/313786497.db2.gz IAAQCNQDSWVORH-CQSZACIVSA-N 1 0 314.433 3.050 10 0 DGAERO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[C@H]1C ZINC000537916970 313839335 /nfs/dbraw/zinc/83/93/35/313839335.db2.gz DPRJNAGTPRGNQZ-UMVBOHGHSA-N 1 0 308.853 3.323 10 0 DGAERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCC2CC2)cc1 ZINC000540173106 313950683 /nfs/dbraw/zinc/95/06/83/313950683.db2.gz CERRANPJPMSNGQ-ZDUSSCGKSA-N 1 0 310.463 3.289 10 0 DGAERO Cc1ccccc1-c1nc(C(=O)N(C)CCC[NH+](C)C)cs1 ZINC000540515652 313963977 /nfs/dbraw/zinc/96/39/77/313963977.db2.gz NOGOHPYYGQUELD-UHFFFAOYSA-N 1 0 317.458 3.142 10 0 DGAERO C[N@H+](C[C@@H]1CC=CCC1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000541313470 314006999 /nfs/dbraw/zinc/00/69/99/314006999.db2.gz LXFCROYAQNRBIU-CJNGLKHVSA-N 1 0 320.383 3.358 10 0 DGAERO CC[C@@H]1CCC[C@@H](C[NH2+]Cc2n[nH]cc2Br)C1 ZINC000541374522 314011883 /nfs/dbraw/zinc/01/18/83/314011883.db2.gz OSELGCCNCDPCTI-GHMZBOCLSA-N 1 0 300.244 3.478 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](c2cccc(C)c2)C1 ZINC000541478932 314017134 /nfs/dbraw/zinc/01/71/34/314017134.db2.gz PYWFALKBQDEJPF-QZTJIDSGSA-N 1 0 300.446 3.185 10 0 DGAERO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000541696404 314032243 /nfs/dbraw/zinc/03/22/43/314032243.db2.gz DSYJYYRUJZVCPQ-CRAIPNDOSA-N 1 0 302.462 3.062 10 0 DGAERO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000542254631 314065364 /nfs/dbraw/zinc/06/53/64/314065364.db2.gz QMBYDRAWYPGDAG-HZPDHXFCSA-N 1 0 316.445 3.161 10 0 DGAERO Cc1ccc(CCC[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000542279855 314067398 /nfs/dbraw/zinc/06/73/98/314067398.db2.gz OSLSPTQXMMWVDR-FQEVSTJZSA-N 1 0 322.452 3.491 10 0 DGAERO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)cc1 ZINC000542484827 314079502 /nfs/dbraw/zinc/07/95/02/314079502.db2.gz WKSCSOYNYFWLIY-JKSUJKDBSA-N 1 0 317.429 3.415 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000543199318 314120595 /nfs/dbraw/zinc/12/05/95/314120595.db2.gz YQVVRDUJKBDWPM-KURKYZTESA-N 1 0 321.509 3.352 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000543208174 314121685 /nfs/dbraw/zinc/12/16/85/314121685.db2.gz KHCYLCRZTYTPBM-HOCLYGCPSA-N 1 0 321.490 3.349 10 0 DGAERO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)C[C@H]2CC=CCC2)c1 ZINC000544104362 314173256 /nfs/dbraw/zinc/17/32/56/314173256.db2.gz ASSTXGVLHJALML-ZWKOTPCHSA-N 1 0 303.446 3.331 10 0 DGAERO CCC[NH+](CCC)CCCNC(=O)N(C)C[C@H]1CC=CCC1 ZINC000544132834 314175646 /nfs/dbraw/zinc/17/56/46/314175646.db2.gz DGLPNMGDOCYGKW-KRWDZBQOSA-N 1 0 309.498 3.496 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000544384860 314189256 /nfs/dbraw/zinc/18/92/56/314189256.db2.gz FYSKFWXKISOCKR-ZNMIVQPWSA-N 1 0 301.496 3.148 10 0 DGAERO Cc1ccc(C[C@H]([NH2+]Cc2nnc3ccccn32)C(C)C)cc1 ZINC000546165264 314293904 /nfs/dbraw/zinc/29/39/04/314293904.db2.gz BQAIOROGKAPCED-KRWDZBQOSA-N 1 0 308.429 3.395 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000546564764 314311242 /nfs/dbraw/zinc/31/12/42/314311242.db2.gz ZHFYVLAJRTUKTC-UHFFFAOYSA-N 1 0 300.446 3.142 10 0 DGAERO Cc1nc(-c2ccc(C[NH2+][C@@H](C)Cn3cccn3)cc2)cs1 ZINC000546720417 314325208 /nfs/dbraw/zinc/32/52/08/314325208.db2.gz YFJVNGDPECMZBK-ZDUSSCGKSA-N 1 0 312.442 3.493 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000547271889 314352439 /nfs/dbraw/zinc/35/24/39/314352439.db2.gz RLDSMJBKXYXLEI-WMZOPIPTSA-N 1 0 313.445 3.041 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)Nc2cccc3cc[nH]c32)CC1 ZINC000547526737 314377494 /nfs/dbraw/zinc/37/74/94/314377494.db2.gz YCISVJYGLJQAGS-UHFFFAOYSA-N 1 0 314.433 3.411 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C(C)(C)c1cccc(Cl)c1F ZINC000548461842 314450029 /nfs/dbraw/zinc/45/00/29/314450029.db2.gz SKLWYCJFNXEAQJ-UHFFFAOYSA-N 1 0 314.832 3.167 10 0 DGAERO c1ccc(N2CCC(C[NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000548791507 314474507 /nfs/dbraw/zinc/47/45/07/314474507.db2.gz PTFNWAHGEZNMFE-IBGZPJMESA-N 1 0 314.473 3.452 10 0 DGAERO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000550862716 314543970 /nfs/dbraw/zinc/54/39/70/314543970.db2.gz GYWUIHRAHSRARQ-NSHDSACASA-N 1 0 313.401 3.281 10 0 DGAERO C[C@@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000554724316 314697343 /nfs/dbraw/zinc/69/73/43/314697343.db2.gz DDIYQWLFOXFUCO-DYVFJYSZSA-N 1 0 316.445 3.163 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+][C@@H]3COc4ccccc4C3)C2)cc1 ZINC000559740670 314890316 /nfs/dbraw/zinc/89/03/16/314890316.db2.gz OYLHGHXFGMHWTI-WMZOPIPTSA-N 1 0 308.425 3.106 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000563261356 315096567 /nfs/dbraw/zinc/09/65/67/315096567.db2.gz GNBHCUNIJKDTSY-ODDCISTRSA-N 1 0 318.848 3.344 10 0 DGAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000563439600 315115959 /nfs/dbraw/zinc/11/59/59/315115959.db2.gz GRMLREVWKZZOFI-RRFJBIMHSA-N 1 0 301.496 3.291 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(Br)cn1 ZINC000564784629 315199474 /nfs/dbraw/zinc/19/94/74/315199474.db2.gz JCLUNISDRNXQNY-GVXVVHGQSA-N 1 0 313.239 3.046 10 0 DGAERO c1ccc(CN2CCCO[C@@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000566501202 315353989 /nfs/dbraw/zinc/35/39/89/315353989.db2.gz PHUQKPHVJRYBRW-OALUTQOASA-N 1 0 314.473 3.200 10 0 DGAERO O[C@@H]1CCCC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000568257187 315497028 /nfs/dbraw/zinc/49/70/28/315497028.db2.gz DXZBDRDQSUVRPS-QZTJIDSGSA-N 1 0 303.446 3.267 10 0 DGAERO c1ccc(N2CCO[C@@H](C[NH2+][C@@H](c3cccnc3)C3CC3)C2)cc1 ZINC000573016679 315835361 /nfs/dbraw/zinc/83/53/61/315835361.db2.gz YNGVBITULYNTBK-VQTJNVASSA-N 1 0 323.440 3.028 10 0 DGAERO Fc1ccc(N2CCC([NH2+]CCOCC3CCC3)CC2)c(F)c1 ZINC000573381319 315862841 /nfs/dbraw/zinc/86/28/41/315862841.db2.gz NYGBHDZUWRZWKQ-UHFFFAOYSA-N 1 0 324.415 3.340 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000575052334 316028449 /nfs/dbraw/zinc/02/84/49/316028449.db2.gz QMDPLFNYGKRSKU-ONGXEEELSA-N 1 0 301.217 3.127 10 0 DGAERO c1ccc(N2CCN(CCC[NH2+][C@@H]3CCCC34CC4)CC2)cc1 ZINC000575816661 316065577 /nfs/dbraw/zinc/06/55/77/316065577.db2.gz UOVYXALNSQHRHT-LJQANCHMSA-N 1 0 313.489 3.121 10 0 DGAERO FC(F)(F)Oc1cccc(C[NH2+]CCOCC2CCC2)c1 ZINC000575918515 316075284 /nfs/dbraw/zinc/07/52/84/316075284.db2.gz PCZSSGYOHKRLBC-UHFFFAOYSA-N 1 0 303.324 3.492 10 0 DGAERO C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccc(Br)cc1F ZINC000576077662 316091560 /nfs/dbraw/zinc/09/15/60/316091560.db2.gz YRZAHKNWAKFEDJ-BHDSKKPTSA-N 1 0 315.230 3.189 10 0 DGAERO Cn1c(C[NH2+]CCOCC2CCC2)nc2cc(Cl)ccc21 ZINC000577333565 316224467 /nfs/dbraw/zinc/22/44/67/316224467.db2.gz FLMDIJWGOKDHIK-UHFFFAOYSA-N 1 0 307.825 3.133 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CCOC2(C)C)c(Br)c1 ZINC000294881031 533703556 /nfs/dbraw/zinc/70/35/56/533703556.db2.gz VOPRTKCEFNXPKX-ZDUSSCGKSA-N 1 0 314.223 3.115 10 0 DGAERO COc1ccc(-c2cnc(C[NH2+][C@@H](C)C3CCOCC3)o2)cc1 ZINC000179842764 323215817 /nfs/dbraw/zinc/21/58/17/323215817.db2.gz IHDRAMAQEAFVQG-ZDUSSCGKSA-N 1 0 316.401 3.255 10 0 DGAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1F ZINC000180171019 323223061 /nfs/dbraw/zinc/22/30/61/323223061.db2.gz CZRHQZZQSDGOIR-QZTJIDSGSA-N 1 0 312.388 3.309 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)s2)C[C@@H]1N1CCOCC1 ZINC000180232138 323224527 /nfs/dbraw/zinc/22/45/27/323224527.db2.gz XFQDUGUTZPHESN-HOCLYGCPSA-N 1 0 322.518 3.198 10 0 DGAERO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)oc21 ZINC000180356884 323227874 /nfs/dbraw/zinc/22/78/74/323227874.db2.gz BBDOKWBFROXOLB-GFCCVEGCSA-N 1 0 318.417 3.397 10 0 DGAERO C[C@H](CNC(=O)c1c[nH]c2cc(F)ccc12)C[NH+]1CCCCC1 ZINC000181161204 323247448 /nfs/dbraw/zinc/24/74/48/323247448.db2.gz KFKDRSFPKBJHIR-CYBMUJFWSA-N 1 0 317.408 3.159 10 0 DGAERO C[C@@H](CNC(=O)c1c[nH]c2cc(F)ccc12)[NH+]1CCC(C)CC1 ZINC000181186565 323247931 /nfs/dbraw/zinc/24/79/31/323247931.db2.gz DDOGRMQCPGYQNS-ZDUSSCGKSA-N 1 0 317.408 3.157 10 0 DGAERO CSCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181305089 323251865 /nfs/dbraw/zinc/25/18/65/323251865.db2.gz HBLIOHMALXWOOV-OAHLLOKOSA-N 1 0 316.474 3.404 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2c(C)nn(C)c2C)C1(CC)CC ZINC000181440360 323253954 /nfs/dbraw/zinc/25/39/54/323253954.db2.gz PEEGLIIJJOXMIK-IAGOWNOFSA-N 1 0 307.482 3.153 10 0 DGAERO CCCCO[C@H]1C[C@H]([NH2+]CCc2c(C)nn(C)c2C)C1(C)C ZINC000181440960 323254340 /nfs/dbraw/zinc/25/43/40/323254340.db2.gz AWKJZBCRPNWQSA-IRXDYDNUSA-N 1 0 307.482 3.153 10 0 DGAERO CC(C)[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000181602339 323261184 /nfs/dbraw/zinc/26/11/84/323261184.db2.gz SPMOCCUAXDDQCP-KRWDZBQOSA-N 1 0 310.388 3.264 10 0 DGAERO Fc1cccc(C[C@H]2CCC[N@@H+]2CCO[C@@H]2CCCCO2)c1 ZINC000181661816 323263333 /nfs/dbraw/zinc/26/33/33/323263333.db2.gz BRFSQGJHYDEEQM-QZTJIDSGSA-N 1 0 307.409 3.376 10 0 DGAERO Clc1ccccc1CCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000181885406 323272880 /nfs/dbraw/zinc/27/28/80/323272880.db2.gz JMPCFWMMRUNHEG-OAHLLOKOSA-N 1 0 318.852 3.276 10 0 DGAERO C[C@H](C[NH2+]CCC(=O)NCc1ccccc1)Cc1ccccc1 ZINC000182057227 323281990 /nfs/dbraw/zinc/28/19/90/323281990.db2.gz MWQRTFISINTVBZ-KRWDZBQOSA-N 1 0 310.441 3.161 10 0 DGAERO CCNC(=O)c1cccc(C[NH2+]C[C@@H](C)Cc2ccccc2)c1 ZINC000182054964 323282054 /nfs/dbraw/zinc/28/20/54/323282054.db2.gz WHLJOLISUTXVKN-INIZCTEOSA-N 1 0 310.441 3.405 10 0 DGAERO C[C@H](C[NH2+]CCCOCC1CCOCC1)Cc1ccccc1 ZINC000182065244 323282208 /nfs/dbraw/zinc/28/22/08/323282208.db2.gz GIRGGIMKAQDKNO-KRWDZBQOSA-N 1 0 305.462 3.288 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000182109450 323283406 /nfs/dbraw/zinc/28/34/06/323283406.db2.gz BARMTNHQVMGCCV-ROUUACIJSA-N 1 0 321.509 3.399 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000182109469 323283473 /nfs/dbraw/zinc/28/34/73/323283473.db2.gz BARMTNHQVMGCCV-QZTJIDSGSA-N 1 0 321.509 3.399 10 0 DGAERO CCSc1ccc([C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000182129799 323284037 /nfs/dbraw/zinc/28/40/37/323284037.db2.gz ZYKRLHQHRDLTIS-CHWSQXEVSA-N 1 0 315.504 3.130 10 0 DGAERO CCCC[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(OC)cc1 ZINC000182144116 323285140 /nfs/dbraw/zinc/28/51/40/323285140.db2.gz ANIFZWHKWFBABF-INIZCTEOSA-N 1 0 306.450 3.431 10 0 DGAERO C[C@H](CCNC(=O)c1c[nH]c2cc(F)ccc12)[NH+]1CCCCC1 ZINC000182241503 323288542 /nfs/dbraw/zinc/28/85/42/323288542.db2.gz JMSNNBWSLYSSSL-CYBMUJFWSA-N 1 0 317.408 3.301 10 0 DGAERO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1C(C)C)[C@H]1CCCO1 ZINC000182232046 323288861 /nfs/dbraw/zinc/28/88/61/323288861.db2.gz VSVXUTJPPTTXPP-VDZJLULYSA-N 1 0 321.461 3.097 10 0 DGAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000182258311 323289325 /nfs/dbraw/zinc/28/93/25/323289325.db2.gz JMEYCJSUMDFFDF-CYBMUJFWSA-N 1 0 312.369 3.013 10 0 DGAERO CC[C@H]([NH2+]CC(=O)Nc1ccc(C(C)C)cc1)[C@H]1CCCO1 ZINC000182278655 323290020 /nfs/dbraw/zinc/29/00/20/323290020.db2.gz REVFTXDVHUULBI-DLBZAZTESA-N 1 0 304.434 3.296 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000182281149 323290291 /nfs/dbraw/zinc/29/02/91/323290291.db2.gz HTIVCFUEHDUYNQ-GOSISDBHSA-N 1 0 301.409 3.386 10 0 DGAERO CCC[C@@H](C(=O)N[C@H]1CCCOc2c(Cl)cccc21)[NH+](C)C ZINC000182566738 323305153 /nfs/dbraw/zinc/30/51/53/323305153.db2.gz HSVVYLDOZDQFON-GJZGRUSLSA-N 1 0 324.852 3.400 10 0 DGAERO C[C@@H]1CCCC[C@H]1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000183053993 323323042 /nfs/dbraw/zinc/32/30/42/323323042.db2.gz UJKXBMCXMQVSCY-IXDOHACOSA-N 1 0 302.466 3.204 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000183068516 323323803 /nfs/dbraw/zinc/32/38/03/323323803.db2.gz AEWSMNNFCDIAMX-JXQTWKCFSA-N 1 0 320.399 3.346 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000183096232 323325423 /nfs/dbraw/zinc/32/54/23/323325423.db2.gz ZJUKGXDMRVYDDT-CRAIPNDOSA-N 1 0 318.509 3.382 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000183475736 323339097 /nfs/dbraw/zinc/33/90/97/323339097.db2.gz JHNKMGPREDXKSJ-CYBMUJFWSA-N 1 0 303.454 3.098 10 0 DGAERO Cc1nnc(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)n1C1CC1 ZINC000183649196 323344360 /nfs/dbraw/zinc/34/43/60/323344360.db2.gz PSTHKSYALWFMFR-QGZVFWFLSA-N 1 0 316.424 3.417 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2s1)CS(C)(=O)=O ZINC000184364199 323363140 /nfs/dbraw/zinc/36/31/40/323363140.db2.gz URLUYHWGCXOCFM-RYUDHWBXSA-N 1 0 311.472 3.233 10 0 DGAERO CC[C@@H](NCC(=O)Nc1cc(C)ccc1C)c1nccs1 ZINC000185042723 323379480 /nfs/dbraw/zinc/37/94/80/323379480.db2.gz JOBZGUPSYVGBCD-CYBMUJFWSA-N 1 0 303.431 3.439 10 0 DGAERO CC[C@@H](NCC(=O)Nc1cccc(C(C)=O)c1)c1nccs1 ZINC000185045736 323379870 /nfs/dbraw/zinc/37/98/70/323379870.db2.gz SFMJFACBYRXGSQ-CQSZACIVSA-N 1 0 317.414 3.025 10 0 DGAERO CC[C@H]([NH2+]CCOc1cccc(C(=O)OC)c1)c1nccs1 ZINC000185064916 323380642 /nfs/dbraw/zinc/38/06/42/323380642.db2.gz ISUAZKGEIVEVFK-AWEZNQCLSA-N 1 0 320.414 3.049 10 0 DGAERO C[C@@H](NCc1ccncc1Cl)c1cn(-c2ccccc2)nn1 ZINC000185460386 323389432 /nfs/dbraw/zinc/38/94/32/323389432.db2.gz XXUNQBSFQONFJJ-GFCCVEGCSA-N 1 0 313.792 3.167 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000187616650 323416448 /nfs/dbraw/zinc/41/64/48/323416448.db2.gz ZZUJWVYXNQZAHE-APWZRJJASA-N 1 0 320.477 3.094 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1ccc(OC)c(OC2CCCC2)c1 ZINC000187816343 323419303 /nfs/dbraw/zinc/41/93/03/323419303.db2.gz YYYFOMVIMXEPSB-AWEZNQCLSA-N 1 0 307.434 3.389 10 0 DGAERO COC[C@H](C)C[NH2+]CCCc1ccc(Br)cc1F ZINC000187932529 323419773 /nfs/dbraw/zinc/41/97/73/323419773.db2.gz GIAKYORTKUATCT-LLVKDONJSA-N 1 0 318.230 3.393 10 0 DGAERO CC(=O)c1csc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351076492 323539642 /nfs/dbraw/zinc/53/96/42/323539642.db2.gz IGPDQAMSRCHHGP-UHFFFAOYSA-N 1 0 310.338 3.315 10 0 DGAERO O[C@H](C[NH2+]CCCCF)COc1cc(Cl)ccc1Cl ZINC000388256285 323649740 /nfs/dbraw/zinc/64/97/40/323649740.db2.gz JQFCVIZNXMQHDV-LLVKDONJSA-N 1 0 310.196 3.072 10 0 DGAERO COC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1cccc(C(F)(F)F)c1 ZINC000578582310 323752948 /nfs/dbraw/zinc/75/29/48/323752948.db2.gz CXNWOIKIZCEFNN-JTNHKYCSSA-N 1 0 305.340 3.406 10 0 DGAERO c1c(CN2CCO[C@]3(CCSC3)C2)noc1-c1ccccc1 ZINC000580771337 324036395 /nfs/dbraw/zinc/03/63/95/324036395.db2.gz GYYGZEDRTPNEAU-QGZVFWFLSA-N 1 0 316.426 3.050 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C2CCC(NC(C)=O)CC2)cc1Cl ZINC000582896975 324288760 /nfs/dbraw/zinc/28/87/60/324288760.db2.gz QXHBXMYERXYWEK-QGLTVNCISA-N 1 0 324.852 3.447 10 0 DGAERO FC(F)Oc1ccc(Cl)cc1CNCCC[NH+]1CCC1 ZINC000583214724 324328272 /nfs/dbraw/zinc/32/82/72/324328272.db2.gz RYYRCSKOMIIYTQ-UHFFFAOYSA-N 1 0 304.768 3.127 10 0 DGAERO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414966 324350871 /nfs/dbraw/zinc/35/08/71/324350871.db2.gz KTRAKWHWOPWKAP-APWZRJJASA-N 1 0 302.462 3.228 10 0 DGAERO O=C(Nc1ccc(C=C2C[NH2+]C2)c(F)c1)c1ccc(Cl)nc1 ZINC000584633917 337377546 /nfs/dbraw/zinc/37/75/46/337377546.db2.gz JRPFLFRLHZLELP-UHFFFAOYSA-N 1 0 317.751 3.113 10 0 DGAERO CC(C)Oc1cc(C2CC[NH+](C3CC3)CC2)ccc1NC=O ZINC000584656027 337377989 /nfs/dbraw/zinc/37/79/89/337377989.db2.gz XXBQRPUFHPSMCG-UHFFFAOYSA-N 1 0 302.418 3.384 10 0 DGAERO C[C@@H](CNc1ccccc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000584636963 337379367 /nfs/dbraw/zinc/37/93/67/337379367.db2.gz MKYSUCRUHJAPSZ-KRWDZBQOSA-N 1 0 310.441 3.471 10 0 DGAERO C[C@H](CNc1ccccc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000584636964 337379409 /nfs/dbraw/zinc/37/94/09/337379409.db2.gz MKYSUCRUHJAPSZ-QGZVFWFLSA-N 1 0 310.441 3.471 10 0 DGAERO COc1ccc2nc(C)cc([C@@](C)(O)CCC[NH+](C)C)c2c1 ZINC000584637527 337379571 /nfs/dbraw/zinc/37/95/71/337379571.db2.gz WYTORFSZVNFLCE-SFHVURJKSA-N 1 0 302.418 3.101 10 0 DGAERO CC1(C)CCN(CC[NH2+]Cc2cc(Br)cs2)C1 ZINC000094812586 1177908892 /nfs/dbraw/zinc/90/88/92/1177908892.db2.gz JIOJDUBLHOCXAY-UHFFFAOYSA-N 1 0 317.296 3.332 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cnccc2C)C12CCOCC2 ZINC000274406295 500706393 /nfs/dbraw/zinc/70/63/93/500706393.db2.gz FYZWHFNZUVGAPX-DJIMGWMZSA-N 1 0 304.434 3.015 10 0 DGAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(F)c(Br)c1 ZINC000157521654 533830606 /nfs/dbraw/zinc/83/06/06/533830606.db2.gz UTOHGGBEUQNUNH-JTQLQIEISA-N 1 0 316.214 3.401 10 0 DGAERO COc1cc(C[NH2+]CCCCCSC)cc2c1OCCO2 ZINC000185165515 533873176 /nfs/dbraw/zinc/87/31/76/533873176.db2.gz CZDWTSSBHQTIPA-UHFFFAOYSA-N 1 0 311.447 3.089 10 0 DGAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1coc2ccccc12 ZINC000328632649 534317271 /nfs/dbraw/zinc/31/72/71/534317271.db2.gz LMKQXEYEZKUONV-SCLBCKFNSA-N 1 0 311.385 3.034 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000157152568 518440197 /nfs/dbraw/zinc/44/01/97/518440197.db2.gz UGNISEYHMMBNAI-UZICZHQRSA-N 1 0 316.420 3.172 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000158979741 534395566 /nfs/dbraw/zinc/39/55/66/534395566.db2.gz CMNIJKXYFCWRIH-RISCZKNCSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000181297547 519687717 /nfs/dbraw/zinc/68/77/17/519687717.db2.gz ALRLABNTMMSXSL-HNAYVOBHSA-N 1 0 323.440 3.409 10 0 DGAERO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000181297566 519690158 /nfs/dbraw/zinc/69/01/58/519690158.db2.gz ALRLABNTMMSXSL-BEFAXECRSA-N 1 0 323.440 3.409 10 0 DGAERO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccccc1OC(F)(F)F ZINC000156688838 519796351 /nfs/dbraw/zinc/79/63/51/519796351.db2.gz PGDSRNBEBGSMJR-ZDUSSCGKSA-N 1 0 304.356 3.390 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)Cc1ccccc1OC(F)(F)F ZINC000156688697 519817665 /nfs/dbraw/zinc/81/76/65/519817665.db2.gz PGDSRNBEBGSMJR-CYBMUJFWSA-N 1 0 304.356 3.390 10 0 DGAERO Cc1ccsc1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328642546 534474573 /nfs/dbraw/zinc/47/45/73/534474573.db2.gz RCKJEDDZSHHINZ-RDJZCZTQSA-N 1 0 301.459 3.234 10 0 DGAERO CCCOc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000179945016 520392548 /nfs/dbraw/zinc/39/25/48/520392548.db2.gz XSCFHHIXBJPWLL-GOEBONIOSA-N 1 0 317.433 3.176 10 0 DGAERO Cc1ccc2[nH+]ccc(N3CCN(Cc4cccnc4)CC3)c2c1 ZINC000302150826 534520661 /nfs/dbraw/zinc/52/06/61/534520661.db2.gz KGPFEXMHEMCTEL-UHFFFAOYSA-N 1 0 318.424 3.260 10 0 DGAERO c1nc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)co1 ZINC000428856001 534529299 /nfs/dbraw/zinc/52/92/99/534529299.db2.gz KXWGXAJWPMRUCE-UHFFFAOYSA-N 1 0 314.414 3.043 10 0 DGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157699592 521585324 /nfs/dbraw/zinc/58/53/24/521585324.db2.gz OUCYZQUIRUJIIR-TZMCWYRMSA-N 1 0 322.497 3.290 10 0 DGAERO CCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(F)cc2)n1 ZINC000070456053 523822126 /nfs/dbraw/zinc/82/21/26/523822126.db2.gz UHAJAVSRMNNIMS-UHFFFAOYSA-N 1 0 314.408 3.257 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000163415020 523833773 /nfs/dbraw/zinc/83/37/73/523833773.db2.gz LGPFGDYMSYNWOA-HIFRSBDPSA-N 1 0 319.474 3.058 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000163440422 523835434 /nfs/dbraw/zinc/83/54/34/523835434.db2.gz ISIMZLPZGLHBDB-ZBFHGGJFSA-N 1 0 302.418 3.194 10 0 DGAERO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000156629725 525348945 /nfs/dbraw/zinc/34/89/45/525348945.db2.gz VMRBKCSDMDGCEB-IRXDYDNUSA-N 1 0 312.461 3.397 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(OC(C)(C)C)cc1 ZINC000157235795 525508084 /nfs/dbraw/zinc/50/80/84/525508084.db2.gz LAYHFFCZWBNBGD-BEFAXECRSA-N 1 0 321.461 3.304 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCc1cnn(C)c1)CCCO2 ZINC000158298027 525601600 /nfs/dbraw/zinc/60/16/00/525601600.db2.gz MNZZUPMSJYVUSY-SFHVURJKSA-N 1 0 313.445 3.473 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccco3)C2)c1 ZINC000157549586 526159512 /nfs/dbraw/zinc/15/95/12/526159512.db2.gz LTYMIGOXZULLIU-HUUCEWRRSA-N 1 0 300.402 3.465 10 0 DGAERO Cc1csc(C2CC[NH+](CCC(=O)OC(C)(C)C)CC2)n1 ZINC000157827445 526329758 /nfs/dbraw/zinc/32/97/58/526329758.db2.gz WYDIYBDYTOLTLG-UHFFFAOYSA-N 1 0 310.463 3.363 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](CCC(=O)OC(C)(C)C)C2)n1 ZINC000157797934 526442458 /nfs/dbraw/zinc/44/24/58/526442458.db2.gz YDRNVWQQDLQYNP-ZDUSSCGKSA-N 1 0 310.463 3.363 10 0 DGAERO Brc1ccccc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415054300 526647927 /nfs/dbraw/zinc/64/79/27/526647927.db2.gz PRLFVERPDYWYPR-XJKSGUPXSA-N 1 0 323.278 3.413 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](Cc2ccccc2)OC)cc1 ZINC000449393051 536501574 /nfs/dbraw/zinc/50/15/74/536501574.db2.gz LSSYWLRRDXUBSU-OXQOHEQNSA-N 1 0 313.441 3.474 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000154618918 527141510 /nfs/dbraw/zinc/14/15/10/527141510.db2.gz CELRXXMGJSNHLT-IXDOHACOSA-N 1 0 324.509 3.256 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000153437090 527141553 /nfs/dbraw/zinc/14/15/53/527141553.db2.gz JFDBSTMZQFYQBO-OAHLLOKOSA-N 1 0 310.482 3.153 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H](C[NH3+])CC(C)C)cc1Cl ZINC000415439049 527309599 /nfs/dbraw/zinc/30/95/99/527309599.db2.gz CDDITWBRGRIOMM-LBPRGKRZSA-N 1 0 311.813 3.038 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2scnc2-c2ccccc2)C1 ZINC000154545181 527403416 /nfs/dbraw/zinc/40/34/16/527403416.db2.gz HZWTXKFOOIYACY-OLZOCXBDSA-N 1 0 301.415 3.266 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)N(CCc2ccccc2)c2ccccc2)C1 ZINC000237855613 527411598 /nfs/dbraw/zinc/41/15/98/527411598.db2.gz VESHETJYUVKVEH-MSOLQXFVSA-N 1 0 308.425 3.390 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000302577293 527592800 /nfs/dbraw/zinc/59/28/00/527592800.db2.gz CZRGMPFCLXCWCV-NEPJUHHUSA-N 1 0 316.214 3.229 10 0 DGAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C1(C)C ZINC000435128187 528073033 /nfs/dbraw/zinc/07/30/33/528073033.db2.gz ZSOAYDYKLBKRQA-CVEARBPZSA-N 1 0 303.406 3.305 10 0 DGAERO CC(C)c1csc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000174636411 528237770 /nfs/dbraw/zinc/23/77/70/528237770.db2.gz AOAHCQRTMYKBTH-VXGBXAGGSA-N 1 0 310.467 3.213 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCC12CCC2)c1ccsc1 ZINC000435574647 528237938 /nfs/dbraw/zinc/23/79/38/528237938.db2.gz AXMLAMNPQKVZAQ-HNNXBMFYSA-N 1 0 321.490 3.469 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](COC)C2CCOCC2)C1(C)C ZINC000188109007 528638474 /nfs/dbraw/zinc/63/84/74/528638474.db2.gz NSNAIKVTTQVKJV-GVDBMIGSSA-N 1 0 313.482 3.001 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cccc(F)c2SC)CC1 ZINC000435462202 528967652 /nfs/dbraw/zinc/96/76/52/528967652.db2.gz ZTCSSFBXHVXPPT-UHFFFAOYSA-N 1 0 324.465 3.399 10 0 DGAERO CC(C)[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175297212 528967987 /nfs/dbraw/zinc/96/79/87/528967987.db2.gz UJRRQMGUGUYVOZ-RYRKJORJSA-N 1 0 317.477 3.383 10 0 DGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000183129474 529056780 /nfs/dbraw/zinc/05/67/80/529056780.db2.gz BIQASLDIZWHXTM-GOSISDBHSA-N 1 0 300.446 3.302 10 0 DGAERO CC1(CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000472228516 535117220 /nfs/dbraw/zinc/11/72/20/535117220.db2.gz GVPQUCZIQNFUGZ-KRWDZBQOSA-N 1 0 321.509 3.474 10 0 DGAERO CC1(c2ccccc2)CC([NH2+]CC(=O)NC2CCCCC2)C1 ZINC000459409171 535207040 /nfs/dbraw/zinc/20/70/40/535207040.db2.gz XVGLYRFMHDMTOD-UHFFFAOYSA-N 1 0 300.446 3.145 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2CCCCCC2)C1 ZINC000455370021 535264803 /nfs/dbraw/zinc/26/48/03/535264803.db2.gz MXXGZTZQGLLYOI-QGZVFWFLSA-N 1 0 309.498 3.330 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@H]1SC ZINC000459421202 535412472 /nfs/dbraw/zinc/41/24/72/535412472.db2.gz DHSMIBLDAYGSDC-MGPQQGTHSA-N 1 0 317.401 3.287 10 0 DGAERO C[NH+](C)CCCNC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000466929872 535834882 /nfs/dbraw/zinc/83/48/82/535834882.db2.gz USKQIXZGVLYMSM-UHFFFAOYSA-N 1 0 324.468 3.156 10 0 DGAERO CCn1nncc1C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000459298240 535926896 /nfs/dbraw/zinc/92/68/96/535926896.db2.gz IUCQSBXZTIHLKF-AWEZNQCLSA-N 1 0 304.825 3.159 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)c(F)c1 ZINC000449421944 535956380 /nfs/dbraw/zinc/95/63/80/535956380.db2.gz MCHDPXGDUXNHKH-BXUZGUMPSA-N 1 0 316.214 3.181 10 0 DGAERO C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)C[C@@H]1CC=CCC1 ZINC000488280763 536313661 /nfs/dbraw/zinc/31/36/61/536313661.db2.gz HBVRBHRTZJEDQA-OAHLLOKOSA-N 1 0 315.413 3.319 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ncc(Br)cc2F)C1 ZINC000471768129 536706183 /nfs/dbraw/zinc/70/61/83/536706183.db2.gz DQHJYCMLZIFEAR-DVVUODLYSA-N 1 0 317.202 3.201 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)CN(Cc3ccccc3)C2)C1 ZINC000471824812 536706595 /nfs/dbraw/zinc/70/65/95/536706595.db2.gz UPGZMWXNUKBWGH-GDAAHCPNSA-N 1 0 302.462 3.054 10 0 DGAERO C[C@@H](NC(=O)CC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000040807536 545675809 /nfs/dbraw/zinc/67/58/09/545675809.db2.gz LXGVIFDKUJGWKR-SECBINFHSA-N 1 0 301.217 3.313 10 0 DGAERO C[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000046366939 545680768 /nfs/dbraw/zinc/68/07/68/545680768.db2.gz ZPSHHQMBQCSMKP-GJZGRUSLSA-N 1 0 321.440 3.088 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000047934933 545685764 /nfs/dbraw/zinc/68/57/64/545685764.db2.gz UNNUZXFVMLLRJW-RYUDHWBXSA-N 1 0 313.392 3.055 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000047925024 545686294 /nfs/dbraw/zinc/68/62/94/545686294.db2.gz HISLUTHSASDFNR-VXGBXAGGSA-N 1 0 313.392 3.055 10 0 DGAERO COC[C@@H](C)[NH2+]CCOc1ccc(Cl)cc1Br ZINC000049799944 545689353 /nfs/dbraw/zinc/68/93/53/545689353.db2.gz IMEKLSMBAOTVLX-SECBINFHSA-N 1 0 322.630 3.106 10 0 DGAERO NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000052034722 545691571 /nfs/dbraw/zinc/69/15/71/545691571.db2.gz SRGSFFONFXZVCN-GOSISDBHSA-N 1 0 312.388 3.132 10 0 DGAERO C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000074019423 545720793 /nfs/dbraw/zinc/72/07/93/545720793.db2.gz ONSMGLONPQRJMD-INIZCTEOSA-N 1 0 315.461 3.224 10 0 DGAERO Cc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1Br ZINC000082325611 545775902 /nfs/dbraw/zinc/77/59/02/545775902.db2.gz GCSWSNMLFZBOOA-NSHDSACASA-N 1 0 311.223 3.038 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]CC1(OC)CCOCC1)C(C)C ZINC000090650448 545830168 /nfs/dbraw/zinc/83/01/68/545830168.db2.gz LCGPJFNXASFEOW-KRWDZBQOSA-N 1 0 321.461 3.048 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)s1 ZINC000090880076 545830510 /nfs/dbraw/zinc/83/05/10/545830510.db2.gz NICCRBUZARPASH-NWDGAFQWSA-N 1 0 313.430 3.444 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000092955629 545851390 /nfs/dbraw/zinc/85/13/90/545851390.db2.gz BZABOZRHBCWFHM-IQJOONFLSA-N 1 0 301.217 3.169 10 0 DGAERO Fc1cc(C[NH2+]CC[C@@H]2CCCO2)ccc1Br ZINC000127390655 545929370 /nfs/dbraw/zinc/92/93/70/545929370.db2.gz VEXHKQQKIFMZOY-NSHDSACASA-N 1 0 302.187 3.247 10 0 DGAERO CN1C[C@@H]([NH2+][C@H](Cc2ccccc2)C2CCCCC2)CCC1=O ZINC000152429856 546003326 /nfs/dbraw/zinc/00/33/26/546003326.db2.gz JHNWEOUDSLESFN-RBUKOAKNSA-N 1 0 314.473 3.388 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000174018288 546105004 /nfs/dbraw/zinc/10/50/04/546105004.db2.gz TYOSGWNGPBIUCM-MRXNPFEDSA-N 1 0 310.397 3.204 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)N(CCc1ccccc1)Cc1ccccc1 ZINC000174017957 546105053 /nfs/dbraw/zinc/10/50/53/546105053.db2.gz LZUXISIJUBKLLN-HXUWFJFHSA-N 1 0 322.452 3.258 10 0 DGAERO Brc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177100537 546119560 /nfs/dbraw/zinc/11/95/60/546119560.db2.gz PWFIKNAFTPJXBP-OAHLLOKOSA-N 1 0 320.234 3.310 10 0 DGAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000179963022 546140318 /nfs/dbraw/zinc/14/03/18/546140318.db2.gz HQGHPUBLBFPKBB-ZDUSSCGKSA-N 1 0 304.463 3.127 10 0 DGAERO CC[C@H]1C[N@H+](CC(C)(C)c2ccccc2)CCN1CCOC ZINC000180087172 546141050 /nfs/dbraw/zinc/14/10/50/546141050.db2.gz YARRUFQHRMFVFN-SFHVURJKSA-N 1 0 304.478 3.007 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2CC2)cc1 ZINC000181735897 546160997 /nfs/dbraw/zinc/16/09/97/546160997.db2.gz YIXBCUWVWVVUIH-OAHLLOKOSA-N 1 0 318.461 3.383 10 0 DGAERO CC(C)c1ccc([C@H](C)NC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000185235427 546186860 /nfs/dbraw/zinc/18/68/60/546186860.db2.gz YGQZVGREKYHRHF-HNNXBMFYSA-N 1 0 305.466 3.464 10 0 DGAERO Fc1ccccc1COc1ccc(C[NH2+]Cc2cncnc2)cc1 ZINC000185425075 546187595 /nfs/dbraw/zinc/18/75/95/546187595.db2.gz RRAAGSQOWZEGAC-UHFFFAOYSA-N 1 0 323.371 3.485 10 0 DGAERO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000187575716 546201043 /nfs/dbraw/zinc/20/10/43/546201043.db2.gz VNJDWGNJVNQURD-VIFPVBQESA-N 1 0 324.222 3.340 10 0 DGAERO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H]3Cn3ccnc3)ccc2O1 ZINC000188403681 546205128 /nfs/dbraw/zinc/20/51/28/546205128.db2.gz WMABVWUYQNQOLR-QGZVFWFLSA-N 1 0 311.429 3.261 10 0 DGAERO OC1CCC(C[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000227616992 546269155 /nfs/dbraw/zinc/26/91/55/546269155.db2.gz LPTOEUNKHCPMMZ-UHFFFAOYSA-N 1 0 316.214 3.229 10 0 DGAERO CCc1ccc([C@@H](C)NC(=O)NCCC[NH+](CC)CC)cc1 ZINC000244170613 546296118 /nfs/dbraw/zinc/29/61/18/546296118.db2.gz VDHKFFDOPPXBIL-OAHLLOKOSA-N 1 0 305.466 3.341 10 0 DGAERO CCOCCN1CC[N@H+](CC(C)(C)c2ccccc2)C[C@H]1C ZINC000245844090 546299754 /nfs/dbraw/zinc/29/97/54/546299754.db2.gz KNXZOFDTBRYHIV-QGZVFWFLSA-N 1 0 304.478 3.007 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000246058915 546301636 /nfs/dbraw/zinc/30/16/36/546301636.db2.gz YXZVYBDVWPQNCM-POJUEXTFSA-N 1 0 320.387 3.092 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C)CC2 ZINC000246531642 546304947 /nfs/dbraw/zinc/30/49/47/546304947.db2.gz VJLGQNOYUCTOEV-XUWVNRHRSA-N 1 0 304.482 3.206 10 0 DGAERO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc([S@@](C)=O)cc1 ZINC000247092881 546308697 /nfs/dbraw/zinc/30/86/97/546308697.db2.gz OCSOHZDTHALDKS-KUZVCPPVSA-N 1 0 320.502 3.090 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)ccc1OC(F)F ZINC000248137889 546314214 /nfs/dbraw/zinc/31/42/14/546314214.db2.gz PHYBQJHRMIZYFJ-WCFLWFBJSA-N 1 0 315.360 3.251 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248591239 546319140 /nfs/dbraw/zinc/31/91/40/546319140.db2.gz LAHRLXBRFGAVPW-SLEUVZQESA-N 1 0 310.825 3.133 10 0 DGAERO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248603856 546319168 /nfs/dbraw/zinc/31/91/68/546319168.db2.gz OPSJCCKNPCQYBH-GRDNDAEWSA-N 1 0 318.461 3.296 10 0 DGAERO Brc1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250089070 546328232 /nfs/dbraw/zinc/32/82/32/546328232.db2.gz WBHQONHIBCSBPY-GOEBONIOSA-N 1 0 323.278 3.413 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1sccc1Br ZINC000251795915 546330053 /nfs/dbraw/zinc/33/00/53/546330053.db2.gz XCTGHHYTNIFKRR-INTQDDNPSA-N 1 0 304.253 3.465 10 0 DGAERO CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261720976 546338523 /nfs/dbraw/zinc/33/85/23/546338523.db2.gz KBWHUFDDRFOFHM-UKRRQHHQSA-N 1 0 302.418 3.229 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccccc1Oc1ccccc1 ZINC000261877369 546339075 /nfs/dbraw/zinc/33/90/75/546339075.db2.gz YPOZGPVWNUVNQU-CRAIPNDOSA-N 1 0 324.424 3.470 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000261844828 546339081 /nfs/dbraw/zinc/33/90/81/546339081.db2.gz VFBVKSHOZATACX-VQIMIIECSA-N 1 0 324.424 3.470 10 0 DGAERO C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc2c(c1)CCCC2 ZINC000262019116 546339878 /nfs/dbraw/zinc/33/98/78/546339878.db2.gz YKOYDXFAJREAAZ-DOPJRALCSA-N 1 0 300.446 3.260 10 0 DGAERO CN1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300415198 546435712 /nfs/dbraw/zinc/43/57/12/546435712.db2.gz SREQLBVTELDDDG-NHYWBVRUSA-N 1 0 309.251 3.120 10 0 DGAERO OC1(C[NH2+]Cc2ccsc2Br)CCCCC1 ZINC000309558820 546451415 /nfs/dbraw/zinc/45/14/15/546451415.db2.gz IPWZINKTPBHBFB-UHFFFAOYSA-N 1 0 304.253 3.295 10 0 DGAERO c1ccc(N2CCC([NH2+][C@H]3CCCc4cccnc43)CC2)nc1 ZINC000321664238 546471725 /nfs/dbraw/zinc/47/17/25/546471725.db2.gz RHFFSFRIDAHCQV-KRWDZBQOSA-N 1 0 308.429 3.113 10 0 DGAERO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)C1 ZINC000329701275 546490805 /nfs/dbraw/zinc/49/08/05/546490805.db2.gz HHUZFBLPAOPSIG-FRQROOTJSA-N 1 0 319.449 3.476 10 0 DGAERO C[C@@H]1CN(Cc2cc(Br)ccc2F)C[C@@]1(C)C[NH3+] ZINC000381120338 546737503 /nfs/dbraw/zinc/73/75/03/546737503.db2.gz APRSZANWPMHFQQ-QMTHXVAHSA-N 1 0 315.230 3.005 10 0 DGAERO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCOC2(CCSCC2)C1)OC ZINC000381159228 546739800 /nfs/dbraw/zinc/73/98/00/546739800.db2.gz NJBQJRCHNVLCQD-ZNMIVQPWSA-N 1 0 301.496 3.082 10 0 DGAERO COC[C@H](C)C[N@H+](C)Cc1ccc(Br)cc1F ZINC000383886517 546742033 /nfs/dbraw/zinc/74/20/33/546742033.db2.gz SXPBOGREKTWANA-SNVBAGLBSA-N 1 0 304.203 3.303 10 0 DGAERO c1nnc([C@H]2CCC[N@@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)n1C1CC1 ZINC000411398292 546771942 /nfs/dbraw/zinc/77/19/42/546771942.db2.gz JCHWTRSBYSNTLY-CGTJXYLNSA-N 1 0 308.429 3.349 10 0 DGAERO COC[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CCCCC1)OC ZINC000512279340 546950644 /nfs/dbraw/zinc/95/06/44/546950644.db2.gz MHZKCKQPNXLPIF-RTBURBONSA-N 1 0 305.462 3.429 10 0 DGAERO COc1ccc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000675055578 548148858 /nfs/dbraw/zinc/14/88/58/548148858.db2.gz VEWUHQISQSJIGL-HIFRSBDPSA-N 1 0 306.406 3.013 10 0 DGAERO CCCCCCOCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000730772436 574535633 /nfs/dbraw/zinc/53/56/33/574535633.db2.gz NDHFTKFZAUFBDF-SJLPKXTDSA-N 1 0 312.498 3.210 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000731451779 574549865 /nfs/dbraw/zinc/54/98/65/574549865.db2.gz GTDVLNXTGSZUMJ-JBXOJTMHSA-N 1 0 310.445 3.409 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2cccc(F)c2F)C1 ZINC000675052774 563855939 /nfs/dbraw/zinc/85/59/39/563855939.db2.gz DYZOUXSBCBDDPV-MFKMUULPSA-N 1 0 312.360 3.283 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)c(F)c1 ZINC000675053651 563860786 /nfs/dbraw/zinc/86/07/86/563860786.db2.gz JVILABWGJBKQQF-RISCZKNCSA-N 1 0 312.360 3.364 10 0 DGAERO COc1cccc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675053624 563860843 /nfs/dbraw/zinc/86/08/43/563860843.db2.gz JNWAQFWLTCFZGU-DZGCQCFKSA-N 1 0 306.406 3.013 10 0 DGAERO Cc1ccc(F)c([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675054465 563861811 /nfs/dbraw/zinc/86/18/11/563861811.db2.gz NQZAITDFPRHSFZ-IUODEOHRSA-N 1 0 308.397 3.452 10 0 DGAERO C/C(=C/C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccc(F)c1 ZINC000732064850 574565846 /nfs/dbraw/zinc/56/58/46/574565846.db2.gz HEPPWCDJAWPZGJ-WTQUMQLASA-N 1 0 316.420 3.316 10 0 DGAERO CC[NH+]1CCC(CNC(=O)/C=C(\C)c2cccc(F)c2)CC1 ZINC000732061889 574566108 /nfs/dbraw/zinc/56/61/08/574566108.db2.gz NGRFRIUVYCKVTF-SDNWHVSQSA-N 1 0 304.409 3.077 10 0 DGAERO CCCCNc1nc2ccccc2n1CC(=O)N(C)CC1CC1 ZINC000733192283 574607371 /nfs/dbraw/zinc/60/73/71/574607371.db2.gz FUGRODSHZPAFAM-UHFFFAOYSA-N 1 0 314.433 3.117 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000737455303 574844745 /nfs/dbraw/zinc/84/47/45/574844745.db2.gz DTMLSTXVWMMKBO-HNNXBMFYSA-N 1 0 321.534 3.150 10 0 DGAERO CCCNC(=S)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000741499544 574959903 /nfs/dbraw/zinc/95/99/03/574959903.db2.gz UETNQLNXIUZIBW-JSGCOSHPSA-N 1 0 311.520 3.005 10 0 DGAERO CCCOC(=O)[C@@H](C)[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000741785585 574970937 /nfs/dbraw/zinc/97/09/37/574970937.db2.gz SJDFDOLNCRUKPK-LSDHHAIUSA-N 1 0 307.434 3.290 10 0 DGAERO COc1ccc(Cl)cc1CNC(=O)CCCC[NH+]1CCCC1 ZINC000729319514 575234017 /nfs/dbraw/zinc/23/40/17/575234017.db2.gz KTHZCDFZTIFNQJ-UHFFFAOYSA-N 1 0 324.852 3.231 10 0 DGAERO CSCC[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000726693030 576037096 /nfs/dbraw/zinc/03/70/96/576037096.db2.gz PYXBZOGVIVAKMG-OLZOCXBDSA-N 1 0 302.484 3.117 10 0 DGAERO CSCC[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000726693032 576037285 /nfs/dbraw/zinc/03/72/85/576037285.db2.gz PYXBZOGVIVAKMG-STQMWFEESA-N 1 0 302.484 3.117 10 0 DGAERO C/C(=C/C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(F)cc1 ZINC000727095240 576107007 /nfs/dbraw/zinc/10/70/07/576107007.db2.gz CHFKFTATOKVCAC-RAXLEYEMSA-N 1 0 322.343 3.448 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)co1 ZINC000727469705 576128117 /nfs/dbraw/zinc/12/81/17/576128117.db2.gz CEEWXMZBZNCWPZ-QGZVFWFLSA-N 1 0 305.381 3.384 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cnc(Cl)cc2C)CC1 ZINC000132024558 618032619 /nfs/dbraw/zinc/03/26/19/618032619.db2.gz KDVGWQZNWDJABA-UHFFFAOYSA-N 1 0 324.856 3.287 10 0 DGAERO S=C1OCCN1CN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000024754693 618659130 /nfs/dbraw/zinc/65/91/30/618659130.db2.gz DQZGXROADHLHRG-SFHVURJKSA-N 1 0 324.449 3.209 10 0 DGAERO C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000150718258 620383923 /nfs/dbraw/zinc/38/39/23/620383923.db2.gz SZWYCEYLTCBKSD-IFXJQAMLSA-N 1 0 312.388 3.232 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](Cn3cnc4cc(C)c(C)cc43)C2)c1 ZINC000152937451 620528775 /nfs/dbraw/zinc/52/87/75/620528775.db2.gz ZCYVNAPZYDEFRX-QGZVFWFLSA-N 1 0 323.444 3.453 10 0 DGAERO O=C(CC[C@H]1CCCCO1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117094073 621351572 /nfs/dbraw/zinc/35/15/72/621351572.db2.gz RJCBEBPGMXXHEV-QZTJIDSGSA-N 1 0 317.429 3.153 10 0 DGAERO C[C@H]1CCC[N@H+](CCNC(=O)/C=C/c2ccnc3ccccc23)C1 ZINC000117756522 621445362 /nfs/dbraw/zinc/44/53/62/621445362.db2.gz IXBONCDLAJLMSS-FDMDGMSGSA-N 1 0 323.440 3.096 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000119713394 621718321 /nfs/dbraw/zinc/71/83/21/621718321.db2.gz MTFIAABFJBZVNV-OAHLLOKOSA-N 1 0 308.397 3.317 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000119787647 621726554 /nfs/dbraw/zinc/72/65/54/621726554.db2.gz IMBNGMYLCSHUFE-OAHLLOKOSA-N 1 0 320.433 3.405 10 0 DGAERO O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@H+](CCc2cccs2)C1 ZINC000121126756 622144118 /nfs/dbraw/zinc/14/41/18/622144118.db2.gz UERKCHYLXBMDAO-MLGOLLRUSA-N 1 0 309.381 3.377 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cc(Cl)ccc1Cl ZINC000126745471 624065190 /nfs/dbraw/zinc/06/51/90/624065190.db2.gz VKQCDYZXPHNGHY-GXSJLCMTSA-N 1 0 322.257 3.221 10 0 DGAERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000126799092 624091589 /nfs/dbraw/zinc/09/15/89/624091589.db2.gz AHUZQTZJUBOIGZ-WMLDXEAASA-N 1 0 309.475 3.113 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)/C=C/c1ccc(O)cc1 ZINC000128587406 625022101 /nfs/dbraw/zinc/02/21/01/625022101.db2.gz IIOCSXRBKUSLLM-ISBHARSQSA-N 1 0 324.424 3.042 10 0 DGAERO CCN(CCC(C)=O)Cc1cc(Br)ccc1F ZINC000129856814 625791841 /nfs/dbraw/zinc/79/18/41/625791841.db2.gz PRVSYLCJYSPPNJ-UHFFFAOYSA-N 1 0 302.187 3.389 10 0 DGAERO C[N@H+](Cc1ccccc1N1CCCC1)CC1(O)CCCCC1 ZINC000131666361 626666406 /nfs/dbraw/zinc/66/64/06/626666406.db2.gz LNMKAKUEWHQMSC-UHFFFAOYSA-N 1 0 302.462 3.414 10 0 DGAERO Cc1cncc(/C=C/C(=O)OCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000132310843 626713050 /nfs/dbraw/zinc/71/30/50/626713050.db2.gz YYQLBPFQAONDHE-MDZDMXLPSA-N 1 0 324.424 3.469 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000215055208 626873659 /nfs/dbraw/zinc/87/36/59/626873659.db2.gz MNUOJRQTTWDBKO-MRXNPFEDSA-N 1 0 304.434 3.076 10 0 DGAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2cnn(C)c2)oc1C ZINC000886080548 627099613 /nfs/dbraw/zinc/09/96/13/627099613.db2.gz YGFQOCAEJDHRMW-QIIPPGSGSA-N 1 0 317.433 3.448 10 0 DGAERO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000886081984 627100340 /nfs/dbraw/zinc/10/03/40/627100340.db2.gz PSTQFFSNBJRDNB-HLLBOEOZSA-N 1 0 314.433 3.035 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000219013378 627134579 /nfs/dbraw/zinc/13/45/79/627134579.db2.gz HCBQXQGZPLFMRL-GXFFZTMASA-N 1 0 305.390 3.376 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000220932402 627212320 /nfs/dbraw/zinc/21/23/20/627212320.db2.gz QYBJJNLCXGWTTA-CYBMUJFWSA-N 1 0 323.437 3.281 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000301023816 627285992 /nfs/dbraw/zinc/28/59/92/627285992.db2.gz QYUHJNRFZMHVHP-CYBMUJFWSA-N 1 0 314.470 3.179 10 0 DGAERO OC1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCCCC1 ZINC000102426151 630105452 /nfs/dbraw/zinc/10/54/52/630105452.db2.gz ZVLYLLZSJVWYQY-UHFFFAOYSA-N 1 0 317.351 3.413 10 0 DGAERO CCOc1cccc(C[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000105433503 630710104 /nfs/dbraw/zinc/71/01/04/630710104.db2.gz DXAWHASULIMUBW-UHFFFAOYSA-N 1 0 308.422 3.090 10 0 DGAERO CSc1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1 ZINC000105433968 630710384 /nfs/dbraw/zinc/71/03/84/630710384.db2.gz DOPUKZAPGKKSOF-UHFFFAOYSA-N 1 0 310.463 3.413 10 0 DGAERO c1nn(-c2ccccc2)nc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000105492611 630718675 /nfs/dbraw/zinc/71/86/75/630718675.db2.gz XNZFIVNCTVFSPH-UHFFFAOYSA-N 1 0 304.397 3.303 10 0 DGAERO O=C(N1CCCC[C@H]([NH+]2CCCC2)C1)C(F)(F)c1ccccc1 ZINC000107529920 631649499 /nfs/dbraw/zinc/64/94/99/631649499.db2.gz QRYMIBCYPFLLBC-INIZCTEOSA-N 1 0 322.399 3.255 10 0 DGAERO Cc1nnc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)s1 ZINC000722143937 658270495 /nfs/dbraw/zinc/27/04/95/658270495.db2.gz XAVNRLNTYZFLKM-UHFFFAOYSA-N 1 0 302.230 3.486 10 0 DGAERO Cc1cccnc1/C=C/C(=O)OCCC[N@@H+](C)Cc1ccccc1 ZINC000185306407 660214727 /nfs/dbraw/zinc/21/47/27/660214727.db2.gz HGCAZJZGNYXEDX-VAWYXSNFSA-N 1 0 324.424 3.469 10 0 DGAERO Cc1cnc([C@H]([NH2+]C[C@](C)(O)c2ccccc2)C2CC2)s1 ZINC000185344071 660216988 /nfs/dbraw/zinc/21/69/88/660216988.db2.gz URJDQPRAFKLBCP-WBVHZDCISA-N 1 0 302.443 3.400 10 0 DGAERO COc1ccc2c(C[N@@H+]3C[C@H](C)CC[C@H]3C)cc(=O)oc2c1 ZINC000174008259 659409756 /nfs/dbraw/zinc/40/97/56/659409756.db2.gz WODMZIIDKONDPU-CHWSQXEVSA-N 1 0 301.386 3.422 10 0 DGAERO CN1C(=O)CCc2cc(C[N@H+](C)Cc3ccc(F)cc3)ccc21 ZINC000186820795 660576368 /nfs/dbraw/zinc/57/63/68/660576368.db2.gz KYCHZONQMNWQOW-UHFFFAOYSA-N 1 0 312.388 3.367 10 0 DGAERO Clc1cccc(Cl)c1C[NH2+]CCOC1CCOCC1 ZINC000701390755 660666974 /nfs/dbraw/zinc/66/69/74/660666974.db2.gz URXJRUPXSCABNY-UHFFFAOYSA-N 1 0 304.217 3.279 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)CN1C(=O)OC(C)(C)C ZINC000701722428 660681147 /nfs/dbraw/zinc/68/11/47/660681147.db2.gz CCKZOGCBMRIYNA-XUJVJEKNSA-N 1 0 318.408 3.409 10 0 DGAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cncs1 ZINC000701854099 660690580 /nfs/dbraw/zinc/69/05/80/660690580.db2.gz CAXFQGAGSIBCJC-OPGSHWCFSA-N 1 0 323.462 3.193 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000701934102 660691943 /nfs/dbraw/zinc/69/19/43/660691943.db2.gz FSYKGLIABUQLEL-ZDUSSCGKSA-N 1 0 318.408 3.268 10 0 DGAERO O[C@H](C[NH2+]CC[C@H]1CC1(F)F)c1cccc(Br)c1 ZINC000701954735 660693578 /nfs/dbraw/zinc/69/35/78/660693578.db2.gz GMADNGZDOPAGRF-CMPLNLGQSA-N 1 0 320.177 3.117 10 0 DGAERO Cc1csc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC000701955977 660694204 /nfs/dbraw/zinc/69/42/04/660694204.db2.gz WJQMAQVXDZOSMY-RYUDHWBXSA-N 1 0 313.467 3.358 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000701992284 660696291 /nfs/dbraw/zinc/69/62/91/660696291.db2.gz HOKJVKOKZSITOH-MELADBBJSA-N 1 0 314.495 3.260 10 0 DGAERO COC1CC(C[N@H+](C)Cc2ccc(F)cc2Br)C1 ZINC000703336125 660778011 /nfs/dbraw/zinc/77/80/11/660778011.db2.gz HQAUSAQQLOSJKA-UHFFFAOYSA-N 1 0 316.214 3.445 10 0 DGAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc(Cl)cn1 ZINC000703881346 660795567 /nfs/dbraw/zinc/79/55/67/660795567.db2.gz ZSOJDNVUOSPAJJ-AWEZNQCLSA-N 1 0 303.837 3.345 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]C[C@@H]2CC=CCC2)CCOCC1 ZINC000705628167 660837841 /nfs/dbraw/zinc/83/78/41/660837841.db2.gz KMYJCCXUWVTSFV-OAHLLOKOSA-N 1 0 324.465 3.006 10 0 DGAERO C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCCO1 ZINC000705994914 660841430 /nfs/dbraw/zinc/84/14/30/660841430.db2.gz AHGDIOVSUKLJIS-GDBMZVCRSA-N 1 0 324.465 3.101 10 0 DGAERO CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC000705990681 660841495 /nfs/dbraw/zinc/84/14/95/660841495.db2.gz ZVDPCVIRMQEYFD-QLFBSQMISA-N 1 0 314.470 3.083 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)C2(C)CC2)cc(Br)c1O ZINC000706790628 660871545 /nfs/dbraw/zinc/87/15/45/660871545.db2.gz KAKKMVYGLXKNJW-VIFPVBQESA-N 1 0 314.223 3.442 10 0 DGAERO COc1ccc(C[NH2+]C2CC(SC)C2)cc1OC(F)F ZINC000708264130 660919531 /nfs/dbraw/zinc/91/95/31/660919531.db2.gz JURTXWIKIBQOJG-UHFFFAOYSA-N 1 0 303.374 3.280 10 0 DGAERO C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@@]12C[C@@H]1CCCC2 ZINC000709082154 660924232 /nfs/dbraw/zinc/92/42/32/660924232.db2.gz DVXRAYOHFDYBQH-DHSIGJKJSA-N 1 0 308.466 3.412 10 0 DGAERO CC1(C)C[NH2+]C[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000711171437 660940597 /nfs/dbraw/zinc/94/05/97/660940597.db2.gz YBHOGXQXTDSJJX-JTQLQIEISA-N 1 0 322.206 3.212 10 0 DGAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ncc(C(F)(F)F)cc1Cl)C2 ZINC000709783748 660930615 /nfs/dbraw/zinc/93/06/15/660930615.db2.gz MWXIOHWONXZPBS-SFGNSQDASA-N 1 0 305.731 3.070 10 0 DGAERO C[C@@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cn(C)cn1 ZINC000709926962 660931439 /nfs/dbraw/zinc/93/14/39/660931439.db2.gz CZZMVKQXGASIQQ-SJLPKXTDSA-N 1 0 312.461 3.125 10 0 DGAERO FC(F)(F)Oc1ccccc1C[NH2+]CCc1ccns1 ZINC000709984229 660931602 /nfs/dbraw/zinc/93/16/02/660931602.db2.gz MWORTRMNIIREGL-UHFFFAOYSA-N 1 0 302.321 3.374 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000710936505 660938891 /nfs/dbraw/zinc/93/88/91/660938891.db2.gz IHPLEFQMLDVGFD-CYBMUJFWSA-N 1 0 318.408 3.268 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2([NH2+]Cc2ccns2)C1 ZINC000711373577 660948980 /nfs/dbraw/zinc/94/89/80/660948980.db2.gz SJUDOQGADUCFQL-LRDDRELGSA-N 1 0 323.462 3.022 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711406754 660950512 /nfs/dbraw/zinc/95/05/12/660950512.db2.gz KAYKPOMPJZFWSM-GJZGRUSLSA-N 1 0 324.465 3.077 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@H]2CCCC23CC3)C1 ZINC000711416434 660951639 /nfs/dbraw/zinc/95/16/39/660951639.db2.gz FDCCSQCIACDZTG-SHARSMKWSA-N 1 0 308.466 3.460 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCC2(F)CCC2)C1 ZINC000711438766 660952417 /nfs/dbraw/zinc/95/24/17/660952417.db2.gz MSNFEOFNELLATG-UHFFFAOYSA-N 1 0 300.418 3.162 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000711454201 660954001 /nfs/dbraw/zinc/95/40/01/660954001.db2.gz AYBZZFMXOWOKEZ-XSGCYMIOSA-N 1 0 308.466 3.316 10 0 DGAERO C[C@@]1(CNCc2nccn2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000711746839 660962053 /nfs/dbraw/zinc/96/20/53/660962053.db2.gz PLJLXSVZXXAXAY-FQEVSTJZSA-N 1 0 324.472 3.220 10 0 DGAERO C[C@]1(CNCc2nccn2C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000711726110 660962061 /nfs/dbraw/zinc/96/20/61/660962061.db2.gz ODBONCPXBDHOMR-HXUWFJFHSA-N 1 0 324.472 3.362 10 0 DGAERO C[C@@H](NCc1nccn1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711747252 660962237 /nfs/dbraw/zinc/96/22/37/660962237.db2.gz RNRDYWCUZQZEMJ-SJLPKXTDSA-N 1 0 324.472 3.218 10 0 DGAERO C/C(=C/C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000254972292 655551256 /nfs/dbraw/zinc/55/12/56/655551256.db2.gz ORHHMKYLPWDBDG-FZDNWWAKSA-N 1 0 304.821 3.050 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000254974333 655551767 /nfs/dbraw/zinc/55/17/67/655551767.db2.gz CYOKUCORVJOLSF-HKBKRHGFSA-N 1 0 318.436 3.466 10 0 DGAERO C[N@H+](CCCOC(=O)CCc1ccco1)Cc1ccccc1 ZINC000177196153 655599555 /nfs/dbraw/zinc/59/95/55/655599555.db2.gz QDGXFHPQNROWMT-UHFFFAOYSA-N 1 0 301.386 3.278 10 0 DGAERO O=C(C1CC[NH+](C/C=C\Cl)CC1)N1CCc2ccccc21 ZINC000255188313 655634154 /nfs/dbraw/zinc/63/41/54/655634154.db2.gz MPIPTYTWCODHEZ-OQFOIZHKSA-N 1 0 304.821 3.040 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(Cc2c(F)cccc2Cl)no1 ZINC000089431255 655671984 /nfs/dbraw/zinc/67/19/84/655671984.db2.gz GYMPXSHSONTSGN-NXEZZACHSA-N 1 0 309.772 3.295 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1F ZINC000723594669 655703631 /nfs/dbraw/zinc/70/36/31/655703631.db2.gz NPWCSMJGANGFLJ-IUCAKERBSA-N 1 0 319.207 3.261 10 0 DGAERO CSc1ccc([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)cc1 ZINC000723847299 655724234 /nfs/dbraw/zinc/72/42/34/655724234.db2.gz FIANJFCPMKHSOZ-LBPRGKRZSA-N 1 0 315.504 3.130 10 0 DGAERO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Cl)c(F)c1 ZINC000723848659 655724583 /nfs/dbraw/zinc/72/45/83/655724583.db2.gz XWZAFYSVXDNLFC-JTQLQIEISA-N 1 0 321.845 3.201 10 0 DGAERO CC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCCOC1 ZINC000724010389 655735864 /nfs/dbraw/zinc/73/58/64/655735864.db2.gz OPUAGNRUNVDVFV-KBPBESRZSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000724063912 655739775 /nfs/dbraw/zinc/73/97/75/655739775.db2.gz MMCKAQZLDXEUHA-OEAJRASXSA-N 1 0 308.466 3.316 10 0 DGAERO C[C@](O)(C[NH2+]C[C@]12C[C@H]1CCCC2)C(F)(F)C(F)(F)F ZINC000724082388 655741117 /nfs/dbraw/zinc/74/11/17/655741117.db2.gz FTRKHJXRISCKAP-VWYCJHECSA-N 1 0 301.299 3.105 10 0 DGAERO CSC[C@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724117401 655744201 /nfs/dbraw/zinc/74/42/01/655744201.db2.gz KVPZAETYMRIDGX-VHSXEESVSA-N 1 0 321.355 3.010 10 0 DGAERO OC1(C[NH+]2CCC(OCc3ccccc3)CC2)CCCCC1 ZINC000065171244 655745359 /nfs/dbraw/zinc/74/53/59/655745359.db2.gz RNLKCUMNABBGTN-UHFFFAOYSA-N 1 0 303.446 3.363 10 0 DGAERO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247702160 655746964 /nfs/dbraw/zinc/74/69/64/655746964.db2.gz YCPWCUBWOMDCHV-HYVNUMGLSA-N 1 0 319.445 3.305 10 0 DGAERO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000121824930 655785644 /nfs/dbraw/zinc/78/56/44/655785644.db2.gz DISAUGZPWOMYEM-UHFFFAOYSA-N 1 0 310.397 3.151 10 0 DGAERO [NH2+]=C(NCc1ccccc1Br)NC1CCCCC1 ZINC000052048297 655801284 /nfs/dbraw/zinc/80/12/84/655801284.db2.gz VVBXBSGTIRSCTD-UHFFFAOYSA-N 1 0 310.239 3.396 10 0 DGAERO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cn(C)nc1Br ZINC000712396735 661188200 /nfs/dbraw/zinc/18/82/00/661188200.db2.gz IORYBZDINGAXCN-GXFFZTMASA-N 1 0 300.244 3.241 10 0 DGAERO C[C@@H](C[NH2+]Cc1cn(C)nc1Br)c1ccccc1 ZINC000712449065 661188641 /nfs/dbraw/zinc/18/86/41/661188641.db2.gz UKTSRHLTQULOAN-NSHDSACASA-N 1 0 308.223 3.076 10 0 DGAERO CCN1CC[C@@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000712608285 661189268 /nfs/dbraw/zinc/18/92/68/661189268.db2.gz RYGBYRGYUYSZDE-MWLCHTKSSA-N 1 0 315.280 3.182 10 0 DGAERO Brc1ccsc1CC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000713047858 661189670 /nfs/dbraw/zinc/18/96/70/661189670.db2.gz ZAVZVLDMUIFJDI-JQWIXIFHSA-N 1 0 316.264 3.210 10 0 DGAERO CC1(C)C[C@H]([NH2+]CCc2sccc2Br)CO1 ZINC000713023291 661189823 /nfs/dbraw/zinc/18/98/23/661189823.db2.gz CVQKIRVBYBIWON-VIFPVBQESA-N 1 0 304.253 3.210 10 0 DGAERO C[C@H](C[C@@H]1CCOC1)[NH2+]CCc1sccc1Br ZINC000713033673 661189850 /nfs/dbraw/zinc/18/98/50/661189850.db2.gz BBVXQNIDPRFZME-MNOVXSKESA-N 1 0 318.280 3.458 10 0 DGAERO Cc1noc(C)c1C[NH2+]CCc1sccc1Br ZINC000713104691 661190277 /nfs/dbraw/zinc/19/02/77/661190277.db2.gz HNANWRNHWQZHMH-UHFFFAOYSA-N 1 0 315.236 3.448 10 0 DGAERO C[C@@H]([NH2+]CCc1sccc1Br)[C@H]1CCOC1 ZINC000713094575 661190285 /nfs/dbraw/zinc/19/02/85/661190285.db2.gz SCHFLOZHXIGZBN-ZJUUUORDSA-N 1 0 304.253 3.068 10 0 DGAERO CCOc1ccc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c(C)c1 ZINC000262351721 655823532 /nfs/dbraw/zinc/82/35/32/655823532.db2.gz GKNFQUQBQMTLJU-MRXNPFEDSA-N 1 0 316.376 3.214 10 0 DGAERO C=C/C=C/CC[NH2+]Cc1snc(OC)c1Br ZINC000713500811 661191172 /nfs/dbraw/zinc/19/11/72/661191172.db2.gz ZTBYSSQZWKMMQA-SNAWJCMRSA-N 1 0 303.225 3.136 10 0 DGAERO C[C@H]1CC[C@H]([NH2+]Cc2ncc(Br)s2)CS1 ZINC000713638884 661192967 /nfs/dbraw/zinc/19/29/67/661192967.db2.gz VFDPMYFGQCGQCL-YUMQZZPRSA-N 1 0 307.282 3.279 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000725001334 655845449 /nfs/dbraw/zinc/84/54/49/655845449.db2.gz NEZBZFBOGKFPRE-QDYJBQRPSA-N 1 0 316.626 3.106 10 0 DGAERO COCC1CC([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000713915812 661194568 /nfs/dbraw/zinc/19/45/68/661194568.db2.gz GUDYZAFCMGCNQZ-KHXKVGHRSA-N 1 0 310.235 3.451 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1cccc2[nH]ccc21 ZINC000309679566 655872190 /nfs/dbraw/zinc/87/21/90/655872190.db2.gz BPLPNIUGIAAXJC-PLNGDYQASA-N 1 0 315.417 3.338 10 0 DGAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000714253114 661198266 /nfs/dbraw/zinc/19/82/66/661198266.db2.gz UEFDTBRDXNMJSX-YDHLFZDLSA-N 1 0 313.488 3.145 10 0 DGAERO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)CCO1 ZINC000309875946 655885864 /nfs/dbraw/zinc/88/58/64/655885864.db2.gz VVUOZTXOQSSDIL-ZNMIVQPWSA-N 1 0 314.470 3.035 10 0 DGAERO CSc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1 ZINC000714363666 661199139 /nfs/dbraw/zinc/19/91/39/661199139.db2.gz AEUVOHQGXJVPBM-WFASDCNBSA-N 1 0 313.488 3.026 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C(C)=C\c1ccc(F)cc1 ZINC000255838629 655910684 /nfs/dbraw/zinc/91/06/84/655910684.db2.gz XQKBEKRTHOYHCO-AINHQSCGSA-N 1 0 304.409 3.172 10 0 DGAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000255847607 655912350 /nfs/dbraw/zinc/91/23/50/655912350.db2.gz QAIXLJHECYRVTC-JHYPKJRRSA-N 1 0 320.742 3.226 10 0 DGAERO O=C(/C=C/c1ccc(Cl)s1)OCC[NH+]1CCSCC1 ZINC000177174466 655916098 /nfs/dbraw/zinc/91/60/98/655916098.db2.gz HEAUZIHADSGSGF-DUXPYHPUSA-N 1 0 317.863 3.007 10 0 DGAERO CN(c1ccc(CNC(=[NH2+])NC2CC2)cc1)C1CCCCC1 ZINC000066243840 655939561 /nfs/dbraw/zinc/93/95/61/655939561.db2.gz FHOIFYPHWFBYHO-UHFFFAOYSA-N 1 0 300.450 3.022 10 0 DGAERO Cc1csc([C@H]2CCCN(CN3C(=O)C(C)(C)C3(C)C)C2)n1 ZINC000177685242 655940191 /nfs/dbraw/zinc/94/01/91/655940191.db2.gz PMRLHYWICUGQGG-ZDUSSCGKSA-N 1 0 321.490 3.235 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000177951562 655950931 /nfs/dbraw/zinc/95/09/31/655950931.db2.gz CDYMLBVESAAIFX-ZNMIVQPWSA-N 1 0 314.470 3.085 10 0 DGAERO COC(C)(C)C[C@H](C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000715076574 661207756 /nfs/dbraw/zinc/20/77/56/661207756.db2.gz ISPQTUMEFKWFLP-HSBZDZAISA-N 1 0 314.470 3.083 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000715146282 661208567 /nfs/dbraw/zinc/20/85/67/661208567.db2.gz MFJMIRNEZOEIRW-XEZPLFJOSA-N 1 0 314.495 3.165 10 0 DGAERO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC000715146593 661208893 /nfs/dbraw/zinc/20/88/93/661208893.db2.gz NURQGTOHIPBEOH-MQMHXKEQSA-N 1 0 310.463 3.449 10 0 DGAERO Brc1ccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)o1 ZINC000715436418 661211022 /nfs/dbraw/zinc/21/10/22/661211022.db2.gz CXOOWFCFDPVCDZ-ZYHUDNBSSA-N 1 0 300.196 3.089 10 0 DGAERO Cc1ccc(OC[C@@H](C)[NH2+]Cc2nc(Br)c[nH]2)cc1 ZINC000311478393 656002936 /nfs/dbraw/zinc/00/29/36/656002936.db2.gz AIJONLXPRYKXAU-LLVKDONJSA-N 1 0 324.222 3.038 10 0 DGAERO Cc1cc(N2CCC[C@@H](OC(=O)CC(C)(C)C)C2)nc(C)n1 ZINC000066731108 656009670 /nfs/dbraw/zinc/00/96/70/656009670.db2.gz PLOSUNDQEIILMI-CQSZACIVSA-N 1 0 305.422 3.042 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000311714796 656011862 /nfs/dbraw/zinc/01/18/62/656011862.db2.gz WRTGYTVPGSPFOJ-UONOGXRCSA-N 1 0 323.437 3.217 10 0 DGAERO C[C@H](C[NH2+]Cc1ccc(Cl)cn1)N(C)C(=O)OC(C)(C)C ZINC000715721953 661214209 /nfs/dbraw/zinc/21/42/09/661214209.db2.gz PIGULZIGGOOQAM-LLVKDONJSA-N 1 0 313.829 3.080 10 0 DGAERO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccns1 ZINC000716019580 661216814 /nfs/dbraw/zinc/21/68/14/661216814.db2.gz ISDQUBALRPFIGW-NEPJUHHUSA-N 1 0 313.467 3.487 10 0 DGAERO Cc1ccnc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000328182228 656055700 /nfs/dbraw/zinc/05/57/00/656055700.db2.gz NPVYQHAWSNNRJI-GOEBONIOSA-N 1 0 319.449 3.173 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=S)NC1CCCCC1 ZINC000309851576 656080595 /nfs/dbraw/zinc/08/05/95/656080595.db2.gz BBOPZZDXHYIZAW-HNNXBMFYSA-N 1 0 319.518 3.304 10 0 DGAERO CCOCCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000037214737 661221164 /nfs/dbraw/zinc/22/11/64/661221164.db2.gz QZQAZZCBPLSXAI-ZDUSSCGKSA-N 1 0 314.223 3.289 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC000309884216 656094774 /nfs/dbraw/zinc/09/47/74/656094774.db2.gz YCJNOFNORBOLKC-ZBFHGGJFSA-N 1 0 319.449 3.173 10 0 DGAERO COc1cc(F)cc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000312287657 656124429 /nfs/dbraw/zinc/12/44/29/656124429.db2.gz SRFXKMMNRVHVII-WAYWQWQTSA-N 1 0 324.396 3.005 10 0 DGAERO C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000716605233 661227157 /nfs/dbraw/zinc/22/71/57/661227157.db2.gz OEPDMZCCGCMLRU-SECBINFHSA-N 1 0 301.217 3.111 10 0 DGAERO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000716605124 661227170 /nfs/dbraw/zinc/22/71/70/661227170.db2.gz NNXRKTJGJMLTSV-VIFPVBQESA-N 1 0 301.217 3.111 10 0 DGAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cc(Cl)cc(Cl)c1F ZINC000716724779 661228261 /nfs/dbraw/zinc/22/82/61/661228261.db2.gz ZAPVVZCIKRQROW-SXJRXYEXSA-N 1 0 305.180 3.047 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1cccc(Br)c1F ZINC000716832668 661229349 /nfs/dbraw/zinc/22/93/49/661229349.db2.gz YZGFVDMIKHKXEX-GXSJLCMTSA-N 1 0 304.203 3.227 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)C1 ZINC000716857298 661230085 /nfs/dbraw/zinc/23/00/85/661230085.db2.gz JETGBNMETBRXFJ-GJZGRUSLSA-N 1 0 324.465 3.077 10 0 DGAERO CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000191659288 656171308 /nfs/dbraw/zinc/17/13/08/656171308.db2.gz URWLLAUAHUJHGV-IRXDYDNUSA-N 1 0 311.853 3.246 10 0 DGAERO CC[C@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)OC ZINC000311234936 656183669 /nfs/dbraw/zinc/18/36/69/656183669.db2.gz VLULQAXBKMROTF-DGCLKSJQSA-N 1 0 314.223 3.287 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000716941755 661234474 /nfs/dbraw/zinc/23/44/74/661234474.db2.gz HZSFHVXTPYKDBZ-JQWIXIFHSA-N 1 0 316.239 3.097 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000716941765 661234482 /nfs/dbraw/zinc/23/44/82/661234482.db2.gz HZSFHVXTPYKDBZ-ZYHUDNBSSA-N 1 0 316.239 3.097 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000716968675 661236530 /nfs/dbraw/zinc/23/65/30/661236530.db2.gz KFFHOFODPWEXBV-SCZZXKLOSA-N 1 0 322.193 3.366 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000312963516 656247488 /nfs/dbraw/zinc/24/74/88/656247488.db2.gz CSLASQSVGFAFFT-JTQLQIEISA-N 1 0 304.253 3.068 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1COCC1(C)C)C(C)(C)C ZINC000313037690 656259112 /nfs/dbraw/zinc/25/91/12/656259112.db2.gz ODYSGCGPRYJUHO-CYBMUJFWSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717154007 661255756 /nfs/dbraw/zinc/25/57/56/661255756.db2.gz OJQJMGUFVMOGDN-FRRDWIJNSA-N 1 0 318.408 3.267 10 0 DGAERO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000722273488 656376019 /nfs/dbraw/zinc/37/60/19/656376019.db2.gz VNGCQPIZDWITGZ-TVQRCGJNSA-N 1 0 317.658 3.142 10 0 DGAERO CC1(C)CO[C@H](CC[NH2+]Cc2ncc(Br)s2)C1 ZINC000717342073 661262291 /nfs/dbraw/zinc/26/22/91/661262291.db2.gz FEERBIBKWYZHTC-SECBINFHSA-N 1 0 319.268 3.200 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723630286 656496908 /nfs/dbraw/zinc/49/69/08/656496908.db2.gz YGYWLEJUCNYBPK-OQIJWPOYSA-N 1 0 303.446 3.387 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)C2)cc1 ZINC000723974556 656505284 /nfs/dbraw/zinc/50/52/84/656505284.db2.gz AICHFNFIGKFGQU-AABGKKOBSA-N 1 0 314.473 3.056 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000724059868 656507255 /nfs/dbraw/zinc/50/72/55/656507255.db2.gz UPQLQRIGKPIBMI-TYNCELHUSA-N 1 0 318.408 3.315 10 0 DGAERO C[C@](O)(C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C(F)(F)C(F)(F)F ZINC000724071988 656507379 /nfs/dbraw/zinc/50/73/79/656507379.db2.gz GTKDLWFXEOEUPD-MMWGEVLESA-N 1 0 301.299 3.103 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccc(Cl)c(Cl)c1 ZINC000724599008 656521887 /nfs/dbraw/zinc/52/18/87/656521887.db2.gz JZAMBHQOIIFBST-OXUWNYNTSA-N 1 0 316.228 3.448 10 0 DGAERO CN(C)Cc1csc(CNCc2cc(F)cc(Cl)c2)n1 ZINC000722408308 656722792 /nfs/dbraw/zinc/72/27/92/656722792.db2.gz IDOHERVLJQBDGL-UHFFFAOYSA-N 1 0 313.829 3.287 10 0 DGAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000094750787 656896794 /nfs/dbraw/zinc/89/67/94/656896794.db2.gz VASDSIPNBLZGDA-QNWHQSFQSA-N 1 0 306.372 3.131 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261596672 656923018 /nfs/dbraw/zinc/92/30/18/656923018.db2.gz MFRXQQODNNXZBA-QJPTWQEYSA-N 1 0 306.372 3.002 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]CCCN2CCOC2=O)cc1 ZINC000178589046 656938378 /nfs/dbraw/zinc/93/83/78/656938378.db2.gz OIVSDIPIUZKUDN-OAHLLOKOSA-N 1 0 320.433 3.214 10 0 DGAERO FC(F)(F)SCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000178618313 656965970 /nfs/dbraw/zinc/96/59/70/656965970.db2.gz WZYCADUIXODHBB-UHFFFAOYSA-N 1 0 301.337 3.419 10 0 DGAERO C[C@@H]([NH3+])CCNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000178659588 656984392 /nfs/dbraw/zinc/98/43/92/656984392.db2.gz QAIXLJHECYRVTC-OSOUNJMWSA-N 1 0 320.742 3.226 10 0 DGAERO CN(Cc1cccc(OC(F)(F)F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000262042024 657297566 /nfs/dbraw/zinc/29/75/66/657297566.db2.gz PEWUZDFEPJEJMH-CQSZACIVSA-N 1 0 302.340 3.017 10 0 DGAERO Fc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000340456580 657359510 /nfs/dbraw/zinc/35/95/10/657359510.db2.gz IMMGMZYMSNWJQS-CYBMUJFWSA-N 1 0 324.197 3.479 10 0 DGAERO COC[C@H](C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000249841892 657434933 /nfs/dbraw/zinc/43/49/33/657434933.db2.gz NTDLDEQEYVGTMZ-NVXWUHKLSA-N 1 0 303.402 3.098 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCSc2ccccc21 ZINC000250872223 657494857 /nfs/dbraw/zinc/49/48/57/657494857.db2.gz ZWTGINPQPGXQML-GUTXKFCHSA-N 1 0 304.459 3.105 10 0 DGAERO Cc1conc1CN[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000720382325 657511754 /nfs/dbraw/zinc/51/17/54/657511754.db2.gz GNFSBKLTZNWNFX-SFHVURJKSA-N 1 0 301.434 3.229 10 0 DGAERO COC(OC)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000303081278 657514902 /nfs/dbraw/zinc/51/49/02/657514902.db2.gz UZCWCFCBMOCYIJ-HNNXBMFYSA-N 1 0 315.413 3.363 10 0 DGAERO C[C@H]1CCCN(Cc2cccc(F)c2Br)[C@H]1C[NH3+] ZINC000251621701 657525882 /nfs/dbraw/zinc/52/58/82/657525882.db2.gz CODGCRWVRKDPCU-GWCFXTLKSA-N 1 0 315.230 3.147 10 0 DGAERO CCN(C/C=C\c1ccccc1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000096839141 657557483 /nfs/dbraw/zinc/55/74/83/657557483.db2.gz VSGMFCYWVWVJPO-BZPDREMPSA-N 1 0 308.425 3.118 10 0 DGAERO Clc1ccsc1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000720471539 657755741 /nfs/dbraw/zinc/75/57/41/657755741.db2.gz IQUXVMHOSBKDHF-VXGBXAGGSA-N 1 0 302.896 3.071 10 0 DGAERO Clc1csc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c1 ZINC000720495343 657802813 /nfs/dbraw/zinc/80/28/13/657802813.db2.gz KMHKQJRUZQFYIW-OLZOCXBDSA-N 1 0 302.896 3.071 10 0 DGAERO FC(F)(F)[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccc(Cl)s2)no1 ZINC000720719136 658086991 /nfs/dbraw/zinc/08/69/91/658086991.db2.gz UXOBGMZJLOALFD-PHDIDXHHSA-N 1 0 323.727 3.317 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@@H]1C(F)(F)F ZINC000720843017 658149666 /nfs/dbraw/zinc/14/96/66/658149666.db2.gz GKEPDWYCMREWII-ZJUUUORDSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000720878779 658155114 /nfs/dbraw/zinc/15/51/14/658155114.db2.gz UBVFAGHVBNOIIL-BXKDBHETSA-N 1 0 310.722 3.048 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[NH2+]CC2(C)CC(F)(F)C2)C1 ZINC000720923344 658236794 /nfs/dbraw/zinc/23/67/94/658236794.db2.gz NZTOSNIOFFTVIE-TXEJJXNPSA-N 1 0 318.408 3.315 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1cccn1C ZINC000721040609 658412618 /nfs/dbraw/zinc/41/26/18/658412618.db2.gz BYQOECBUNKTFTP-HUUCEWRRSA-N 1 0 321.465 3.008 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1ccncc1 ZINC000721042709 658412660 /nfs/dbraw/zinc/41/26/60/658412660.db2.gz SVVYNJWUUJKDLY-GDBMZVCRSA-N 1 0 319.449 3.064 10 0 DGAERO CCO[C@@H]1CCC[C@H]([NH2+]C/C=C/CNC(=O)OC(C)(C)C)C1 ZINC000721193617 658645937 /nfs/dbraw/zinc/64/59/37/658645937.db2.gz JHUUCTNGIVSUOT-MFHOCJEASA-N 1 0 312.454 3.005 10 0 DGAERO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]Cc1csc(N)n1 ZINC000721335417 658726892 /nfs/dbraw/zinc/72/68/92/658726892.db2.gz HNLNKDNFLHUADX-LSDHHAIUSA-N 1 0 317.458 3.199 10 0 DGAERO C[C@H](NC(=O)CC(C)(C)C[NH3+])c1ccccc1Br ZINC000721264547 658771546 /nfs/dbraw/zinc/77/15/46/658771546.db2.gz ADLKMBKAOKZKGI-JTQLQIEISA-N 1 0 313.239 3.001 10 0 DGAERO Cc1c2cc(C)c(C)cc2oc1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000222555278 658938620 /nfs/dbraw/zinc/93/86/20/658938620.db2.gz RBAADLXGEUYZLP-INIZCTEOSA-N 1 0 312.413 3.182 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cn1ccc(-c3ccccc3)n1)CC2 ZINC000164960749 658959501 /nfs/dbraw/zinc/95/95/01/658959501.db2.gz WOKLHAXMWWOIQI-MJGOQNOKSA-N 1 0 311.429 3.135 10 0 DGAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(F)c1Br ZINC000157004366 658978616 /nfs/dbraw/zinc/97/86/16/658978616.db2.gz RGPUPAGJIUYMLV-GWCFXTLKSA-N 1 0 315.230 3.290 10 0 DGAERO C[C@H](NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000722592703 658979217 /nfs/dbraw/zinc/97/92/17/658979217.db2.gz ZHGVCYLXURMXEC-OUAUKWLOSA-N 1 0 315.244 3.416 10 0 DGAERO CC(C)(C)OC(=O)NCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000224536599 659020924 /nfs/dbraw/zinc/02/09/24/659020924.db2.gz HLCGKTWLXQCACF-HNNXBMFYSA-N 1 0 308.397 3.391 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)/C=C/c1cccc(O)c1 ZINC000157362606 659051065 /nfs/dbraw/zinc/05/10/65/659051065.db2.gz XNBDYYFLSSAAQJ-PCUGXKRQSA-N 1 0 324.424 3.042 10 0 DGAERO COc1c(C)cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1C ZINC000157773923 659096724 /nfs/dbraw/zinc/09/67/24/659096724.db2.gz WOTBJNGLVHDOBW-IBGZPJMESA-N 1 0 317.404 3.448 10 0 DGAERO CCn1c(C[NH2+]CCSC(F)(F)F)nc2ccccc21 ZINC000226182584 659100937 /nfs/dbraw/zinc/10/09/37/659100937.db2.gz HJBIBDQZHQSRBD-UHFFFAOYSA-N 1 0 303.353 3.399 10 0 DGAERO C[C@H](CCc1ccco1)[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000227759697 659163825 /nfs/dbraw/zinc/16/38/25/659163825.db2.gz PXEJWMZTGFULBF-VBROQKIQSA-N 1 0 308.422 3.271 10 0 DGAERO CCOCc1nc(Cl)cc(N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000129864202 659167421 /nfs/dbraw/zinc/16/74/21/659167421.db2.gz RZPVLJUFCJFJDV-GFCCVEGCSA-N 1 0 314.861 3.055 10 0 DGAERO CCN(CCC[NH2+][C@H]1CCCSC1)C(=O)OC(C)(C)C ZINC000228792625 659212795 /nfs/dbraw/zinc/21/27/95/659212795.db2.gz ZDBKANSLADHSLF-ZDUSSCGKSA-N 1 0 302.484 3.119 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000229072959 659234880 /nfs/dbraw/zinc/23/48/80/659234880.db2.gz OVDGYWWZRFNVFZ-JKSUJKDBSA-N 1 0 304.434 3.470 10 0 DGAERO CSCCCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000229244710 659247392 /nfs/dbraw/zinc/24/73/92/659247392.db2.gz CRFRAMWTJUGQOC-ZDUSSCGKSA-N 1 0 307.381 3.472 10 0 DGAERO c1cn(-c2ncccc2C[NH2+]Cc2cccc3[nH]ccc32)cn1 ZINC000171128667 659260817 /nfs/dbraw/zinc/26/08/17/659260817.db2.gz QLASPIBVRFBCOD-UHFFFAOYSA-N 1 0 303.369 3.038 10 0 DGAERO C/C(=C\C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000171192529 659266541 /nfs/dbraw/zinc/26/65/41/659266541.db2.gz ORHHMKYLPWDBDG-YPDDLIOESA-N 1 0 304.821 3.050 10 0 DGAERO FC(F)(F)c1ccn(C[N@H+](C[C@H]2CCCO2)C2CCCC2)n1 ZINC000172952295 659366859 /nfs/dbraw/zinc/36/68/59/659366859.db2.gz XRJVBJYKFQJCIQ-CYBMUJFWSA-N 1 0 317.355 3.283 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1Cc1csc(-c2ccsc2)n1 ZINC000063168727 659370505 /nfs/dbraw/zinc/37/05/05/659370505.db2.gz SWASOLMWZNOYTK-CQSZACIVSA-N 1 0 307.488 3.446 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000231721137 659398015 /nfs/dbraw/zinc/39/80/15/659398015.db2.gz KHISQXBCZKSKOR-RYUDHWBXSA-N 1 0 314.813 3.468 10 0 DGAERO Cc1nn(C)c(Cl)c1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000173841991 659403378 /nfs/dbraw/zinc/40/33/78/659403378.db2.gz GAFVSOBCYIWHKV-CQSZACIVSA-N 1 0 311.857 3.306 10 0 DGAERO CC(C)[C@H](C[NH2+]CCc1ccccc1)NC(=O)OC(C)(C)C ZINC000232008352 659408884 /nfs/dbraw/zinc/40/88/84/659408884.db2.gz PSLMYANEEVULBQ-INIZCTEOSA-N 1 0 306.450 3.368 10 0 DGAERO C[C@H]1CC[C@@H](CCC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000174210105 659419994 /nfs/dbraw/zinc/41/99/94/659419994.db2.gz VLCFBCFHHDIQNU-RYQLBKOJSA-N 1 0 317.429 3.152 10 0 DGAERO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174383313 659433238 /nfs/dbraw/zinc/43/32/38/659433238.db2.gz YCPWCUBWOMDCHV-OIISXLGYSA-N 1 0 319.445 3.305 10 0 DGAERO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1scnc1Cl ZINC000721963901 659493892 /nfs/dbraw/zinc/49/38/92/659493892.db2.gz SFGJXNSCYVBALE-SDDRHHMPSA-N 1 0 300.855 3.312 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000174705703 659520511 /nfs/dbraw/zinc/52/05/11/659520511.db2.gz DYGMGAXZIQHWDM-ABAIWWIYSA-N 1 0 319.788 3.453 10 0 DGAERO O[C@@H](C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC000313591096 659588579 /nfs/dbraw/zinc/58/85/79/659588579.db2.gz CTMPRFHWGZYWLH-SFTDATJTSA-N 1 0 324.468 3.364 10 0 DGAERO CN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089390903 659639939 /nfs/dbraw/zinc/63/99/39/659639939.db2.gz FLPFMHONAOCHSM-PWSUYJOCSA-N 1 0 300.855 3.125 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000179864712 659944373 /nfs/dbraw/zinc/94/43/73/659944373.db2.gz LPAUGGSZFAQROQ-OAHLLOKOSA-N 1 0 324.852 3.187 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C1CCN(Cc3ccccc3)CC1)CCC2 ZINC000353454278 659983928 /nfs/dbraw/zinc/98/39/28/659983928.db2.gz JMGJLBXHWPLSPP-GOSISDBHSA-N 1 0 310.445 3.041 10 0 DGAERO CCN(c1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1)C(C)C ZINC000181362980 659996823 /nfs/dbraw/zinc/99/68/23/659996823.db2.gz ZBRHAFKNMOMVJI-UHFFFAOYSA-N 1 0 318.465 3.091 10 0 DGAERO C[C@@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCCN1Cc1ccccc1 ZINC000353671906 660017217 /nfs/dbraw/zinc/01/72/17/660017217.db2.gz MJBREAJKXRTDDG-QUCCMNQESA-N 1 0 324.472 3.431 10 0 DGAERO C[C@H]([NH2+]Cc1ccnc(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000182029160 660031054 /nfs/dbraw/zinc/03/10/54/660031054.db2.gz AJFMGMLJSZYBTD-LBPRGKRZSA-N 1 0 313.792 3.167 10 0 DGAERO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182287618 660041181 /nfs/dbraw/zinc/04/11/81/660041181.db2.gz LDQPRRXPOKWBOG-KBPBESRZSA-N 1 0 320.433 3.151 10 0 DGAERO CCCCCC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182357065 660045595 /nfs/dbraw/zinc/04/55/95/660045595.db2.gz WYKPZECRKCTPBO-ZBFHGGJFSA-N 1 0 320.481 3.172 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1cccc(Br)c1 ZINC000182580392 660063454 /nfs/dbraw/zinc/06/34/54/660063454.db2.gz VXAQLZPLCLFJHU-MNOVXSKESA-N 1 0 312.207 3.053 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccc(F)nc2)cc1 ZINC000189132739 660066236 /nfs/dbraw/zinc/06/62/36/660066236.db2.gz QMEKNCPKWHZXQO-UHFFFAOYSA-N 1 0 316.376 3.466 10 0 DGAERO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)n1 ZINC000183157876 660103133 /nfs/dbraw/zinc/10/31/33/660103133.db2.gz RFJVEIBRSPYDFU-CQSZACIVSA-N 1 0 316.788 3.166 10 0 DGAERO C[C@@H](OCC1CC1)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183186351 660104100 /nfs/dbraw/zinc/10/41/00/660104100.db2.gz OEZMNURBIVMFQX-QAPCUYQASA-N 1 0 317.429 3.009 10 0 DGAERO CSC[C@H](C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183201579 660104362 /nfs/dbraw/zinc/10/43/62/660104362.db2.gz QVDWBYCHMLZVMI-HOCLYGCPSA-N 1 0 307.459 3.193 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000183489063 660117785 /nfs/dbraw/zinc/11/77/85/660117785.db2.gz KRIXVYOEHWSPHN-ZDUSSCGKSA-N 1 0 313.445 3.255 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000184466124 660169436 /nfs/dbraw/zinc/16/94/36/660169436.db2.gz VVLGHVBJPJHKBL-KGLIPLIRSA-N 1 0 308.422 3.496 10 0 DGAERO COC[C@@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184696389 660181711 /nfs/dbraw/zinc/18/17/11/660181711.db2.gz YIXQXYRCSZSTCZ-IAGOWNOFSA-N 1 0 303.402 3.216 10 0 DGAERO CCOC(=O)c1sc2ncnc(Nc3cc[nH+]cc3)c2c1C ZINC000072240690 660181825 /nfs/dbraw/zinc/18/18/25/660181825.db2.gz JTEDOSSTRIWYSV-UHFFFAOYSA-N 1 0 314.370 3.315 10 0 DGAERO COC1(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000187545896 661862875 /nfs/dbraw/zinc/86/28/75/661862875.db2.gz VYFITXJDHLZFDT-QGZVFWFLSA-N 1 0 317.429 3.153 10 0 DGAERO C/C(=C/C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000159979521 661898862 /nfs/dbraw/zinc/89/88/62/661898862.db2.gz XLGQZWQLSNPBGB-HQJNUACDSA-N 1 0 304.821 3.096 10 0 DGAERO CCCCC[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189035085 661960170 /nfs/dbraw/zinc/96/01/70/661960170.db2.gz VFQKLOINJLCNTJ-RHSMWYFYSA-N 1 0 306.425 3.485 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000189128998 661964738 /nfs/dbraw/zinc/96/47/38/661964738.db2.gz NZLBLSYSLIVKIO-KBPBESRZSA-N 1 0 323.412 3.004 10 0 DGAERO COC(=O)CC[N@H+](Cc1c(C)cc(C)cc1C)C1CCOCC1 ZINC000076144693 661970110 /nfs/dbraw/zinc/97/01/10/661970110.db2.gz HAOVBUYKJLNCRL-UHFFFAOYSA-N 1 0 319.445 3.156 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1F ZINC000189318473 661973964 /nfs/dbraw/zinc/97/39/64/661973964.db2.gz SQQHIAJZQTYZKG-UHFFFAOYSA-N 1 0 316.804 3.484 10 0 DGAERO c1ccc(OCCCC[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000077326274 662021562 /nfs/dbraw/zinc/02/15/62/662021562.db2.gz FOGDQSKZZFTMON-UHFFFAOYSA-N 1 0 313.397 3.407 10 0 DGAERO COc1cccc(F)c1[C@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000190325052 662028397 /nfs/dbraw/zinc/02/83/97/662028397.db2.gz ALUAHKJKSLXIDH-ZDUSSCGKSA-N 1 0 323.408 3.418 10 0 DGAERO COc1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)cc1C#N ZINC000190392078 662030825 /nfs/dbraw/zinc/03/08/25/662030825.db2.gz WTTJYZAZZOBFHE-UHFFFAOYSA-N 1 0 310.397 3.222 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191658895 662076424 /nfs/dbraw/zinc/07/64/24/662076424.db2.gz SPNUIEACVFKTRQ-NSHDSACASA-N 1 0 324.387 3.422 10 0 DGAERO CC(C)CCO[C@@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000078602012 662078580 /nfs/dbraw/zinc/07/85/80/662078580.db2.gz DWSPMBDAUUSFCN-FUHWJXTLSA-N 1 0 319.445 3.255 10 0 DGAERO CC1(C[NH2+]Cc2cnc(-c3cccs3)s2)OCCCO1 ZINC000192250767 662093101 /nfs/dbraw/zinc/09/31/01/662093101.db2.gz MDFUGRLFEXQMJL-UHFFFAOYSA-N 1 0 310.444 3.114 10 0 DGAERO C[NH+](C)CCOc1ccc(NC(=O)CSC(C)(C)C)cc1 ZINC000079379753 662108742 /nfs/dbraw/zinc/10/87/42/662108742.db2.gz BAUQJHSSOABOLA-UHFFFAOYSA-N 1 0 310.463 3.097 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000194685325 662171318 /nfs/dbraw/zinc/17/13/18/662171318.db2.gz DVMWIRKZEHSOPW-CQSZACIVSA-N 1 0 312.454 3.352 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000194685311 662171506 /nfs/dbraw/zinc/17/15/06/662171506.db2.gz DVMWIRKZEHSOPW-AWEZNQCLSA-N 1 0 312.454 3.352 10 0 DGAERO Clc1cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)ccn1 ZINC000195516038 662191125 /nfs/dbraw/zinc/19/11/25/662191125.db2.gz DSSAPVWPQRBFTC-CQSZACIVSA-N 1 0 302.809 3.064 10 0 DGAERO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717934522 662206972 /nfs/dbraw/zinc/20/69/72/662206972.db2.gz FCNMNHHZXAEJSZ-IUCAKERBSA-N 1 0 308.369 3.284 10 0 DGAERO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717933689 662207082 /nfs/dbraw/zinc/20/70/82/662207082.db2.gz BSYUJPJOHQVGGR-VIFPVBQESA-N 1 0 308.369 3.190 10 0 DGAERO Cc1cc(N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)nc(N)[nH+]1 ZINC000718000432 662213017 /nfs/dbraw/zinc/21/30/17/662213017.db2.gz MKMZMMMSYUKPLC-LSDHHAIUSA-N 1 0 312.417 3.163 10 0 DGAERO Cc1cc(N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)nc(N)[nH+]1 ZINC000718000430 662213104 /nfs/dbraw/zinc/21/31/04/662213104.db2.gz MKMZMMMSYUKPLC-HUUCEWRRSA-N 1 0 312.417 3.163 10 0 DGAERO Cc1cc(N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)nc(N)[nH+]1 ZINC000718000428 662213119 /nfs/dbraw/zinc/21/31/19/662213119.db2.gz MKMZMMMSYUKPLC-GJZGRUSLSA-N 1 0 312.417 3.163 10 0 DGAERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(C(F)(F)F)s1 ZINC000717989794 662213244 /nfs/dbraw/zinc/21/32/44/662213244.db2.gz LMNIILGSLVAHCB-NKWVEPMBSA-N 1 0 303.296 3.434 10 0 DGAERO CO[C@@](C)(C[NH2+]Cc1nc(C)c(Br)s1)C1CC1 ZINC000719209097 662271651 /nfs/dbraw/zinc/27/16/51/662271651.db2.gz DGRVZAZGXNBQGB-LBPRGKRZSA-N 1 0 319.268 3.119 10 0 DGAERO Cc1coc(C[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000718030208 662214369 /nfs/dbraw/zinc/21/43/69/662214369.db2.gz KJQCJEBBVAMECO-CQSZACIVSA-N 1 0 308.422 3.325 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000089431268 662243530 /nfs/dbraw/zinc/24/35/30/662243530.db2.gz RZJCUKMDZQKUSZ-CMPLNLGQSA-N 1 0 309.772 3.295 10 0 DGAERO c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000718375564 662254339 /nfs/dbraw/zinc/25/43/39/662254339.db2.gz UGWHMUVVLCHBKS-KKUMJFAQSA-N 1 0 308.516 3.295 10 0 DGAERO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)ccc1Cl ZINC000718426872 662255106 /nfs/dbraw/zinc/25/51/06/662255106.db2.gz YQGCUWXGCFICLK-FKTRJACZSA-N 1 0 301.217 3.298 10 0 DGAERO COCC(C)(C)CC[NH2+]Cc1cc(O)ccc1Br ZINC000718743837 662261125 /nfs/dbraw/zinc/26/11/25/662261125.db2.gz HIIMNXVKWQHSAS-UHFFFAOYSA-N 1 0 316.239 3.307 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000718778440 662261824 /nfs/dbraw/zinc/26/18/24/662261824.db2.gz RSFAAUDZQOULLO-MDNKFWRPSA-N 1 0 316.489 3.444 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000718791505 662262029 /nfs/dbraw/zinc/26/20/29/662262029.db2.gz PNRBUHJGGFQIEC-RBSFLKMASA-N 1 0 314.470 3.085 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000718825526 662262043 /nfs/dbraw/zinc/26/20/43/662262043.db2.gz NNTREQWXJYQYCA-CEXWTWQISA-N 1 0 302.462 3.198 10 0 DGAERO Cc1nc(C[NH2+]CC2CC(F)(F)C2)sc1Br ZINC000719215812 662271552 /nfs/dbraw/zinc/27/15/52/662271552.db2.gz IDBOPQZWTOPQPI-UHFFFAOYSA-N 1 0 311.195 3.349 10 0 DGAERO CC1(C)CCCCC[C@H]1[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000719273977 662272357 /nfs/dbraw/zinc/27/23/57/662272357.db2.gz DNZISMWYROIXGA-CQSZACIVSA-N 1 0 301.496 3.150 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)sc1Br ZINC000719285729 662272924 /nfs/dbraw/zinc/27/29/24/662272924.db2.gz CAMMGGJGBLBPBR-PBCZWWQYSA-N 1 0 319.268 3.116 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CCC(F)(F)C2)sc1Br ZINC000719289571 662273229 /nfs/dbraw/zinc/27/32/29/662273229.db2.gz XOTCKMCNVWTZHV-SSDOTTSWSA-N 1 0 311.195 3.491 10 0 DGAERO CO[C@]1(C[NH2+]Cc2ccsc2C(F)(F)F)CCSC1 ZINC000719289890 662273389 /nfs/dbraw/zinc/27/33/89/662273389.db2.gz CQBLXYXESHCKEE-NSHDSACASA-N 1 0 311.394 3.379 10 0 DGAERO C[C@H]1[C@@H](Nc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000719758969 662296497 /nfs/dbraw/zinc/29/64/97/662296497.db2.gz FZQKESJIBVBPMI-WPRPVWTQSA-N 1 0 310.195 3.095 10 0 DGAERO C[NH2+]CCCCC(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000719710383 662297204 /nfs/dbraw/zinc/29/72/04/662297204.db2.gz LYAMFPKEGIYVDP-UHFFFAOYSA-N 1 0 303.233 3.342 10 0 DGAERO C[N@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)CC1CCOCC1 ZINC000092225541 662328714 /nfs/dbraw/zinc/32/87/14/662328714.db2.gz PANXQNZFPNLEHZ-MRXNPFEDSA-N 1 0 322.836 3.191 10 0 DGAERO CCc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000247976694 662331830 /nfs/dbraw/zinc/33/18/30/662331830.db2.gz GPYQAYLWMGULTP-RDJZCZTQSA-N 1 0 314.454 3.486 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+]([C@H]3C=CCCC3)C[C@@H]12 ZINC000248617794 662355216 /nfs/dbraw/zinc/35/52/16/662355216.db2.gz SCFSNJISBSUGFI-QKPAOTATSA-N 1 0 306.450 3.330 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000248833304 662360188 /nfs/dbraw/zinc/36/01/88/662360188.db2.gz MMBZPLRGJOTDQH-KVQFHVITSA-N 1 0 318.244 3.261 10 0 DGAERO O[C@@H](C[NH2+]Cc1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000378905395 685146079 /nfs/dbraw/zinc/14/60/79/685146079.db2.gz DNUZOVFVONLKBF-HNNXBMFYSA-N 1 0 311.303 3.492 10 0 DGAERO CC(C)n1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000381050585 685154838 /nfs/dbraw/zinc/15/48/38/685154838.db2.gz GYBVNWUUEYLKFC-VQIMIIECSA-N 1 0 312.461 3.217 10 0 DGAERO CCSCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000381502529 685157891 /nfs/dbraw/zinc/15/78/91/685157891.db2.gz HMAPLFXDEWLZCN-STQMWFEESA-N 1 0 302.484 3.165 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1F ZINC000381730469 685159105 /nfs/dbraw/zinc/15/91/05/685159105.db2.gz UMXFMYDSIDHWCU-PLNGDYQASA-N 1 0 312.360 3.135 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)C1(C)C ZINC000381778670 685159673 /nfs/dbraw/zinc/15/96/73/685159673.db2.gz XOFZIILQLUEDQQ-RFQIPJPRSA-N 1 0 314.470 3.081 10 0 DGAERO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CC2CCC1CC2)C1CC1 ZINC000382041074 685161340 /nfs/dbraw/zinc/16/13/40/685161340.db2.gz UJPIYYXWZURPQE-BCAXMMLOSA-N 1 0 308.466 3.458 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)o1 ZINC000382418005 685163479 /nfs/dbraw/zinc/16/34/79/685163479.db2.gz AUHLSXHPFPTZKA-FZMZJTMJSA-N 1 0 323.437 3.027 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000382456194 685164485 /nfs/dbraw/zinc/16/44/85/685164485.db2.gz QPNIIFABKJLTPO-IHRRRGAJSA-N 1 0 314.470 3.083 10 0 DGAERO CN(CC[C@H](O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383574724 685167833 /nfs/dbraw/zinc/16/78/33/685167833.db2.gz KSPCXOGQTTXNMP-RTWAWAEBSA-N 1 0 324.468 3.316 10 0 DGAERO Cc1sc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1Br ZINC000384048166 685169391 /nfs/dbraw/zinc/16/93/91/685169391.db2.gz WEKLSEGEMYEBQK-MNOVXSKESA-N 1 0 318.280 3.460 10 0 DGAERO CCSCC[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000383902902 685169611 /nfs/dbraw/zinc/16/96/11/685169611.db2.gz WXLHGEIJUSRAEH-UHFFFAOYSA-N 1 0 319.224 3.200 10 0 DGAERO CSC(C)(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000385225329 685173852 /nfs/dbraw/zinc/17/38/52/685173852.db2.gz MJDROSKUUXHRMU-NEPJUHHUSA-N 1 0 304.500 3.409 10 0 DGAERO CCC[C@H](C)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390723582 685204120 /nfs/dbraw/zinc/20/41/20/685204120.db2.gz ZVZUBYZUEMHAME-PKOBYXMFSA-N 1 0 304.478 3.303 10 0 DGAERO c1ccc(COc2ccccc2C[NH2+]CCc2cccnc2)nc1 ZINC000128705496 1176017538 /nfs/dbraw/zinc/01/75/38/1176017538.db2.gz WXSRAYPVXDABPO-UHFFFAOYSA-N 1 0 319.408 3.388 10 0 DGAERO C[C@@H]1CCCN1CC[NH2+]Cc1sccc1Br ZINC000390491424 1176284504 /nfs/dbraw/zinc/28/45/04/1176284504.db2.gz QPVLIUNSBXJMHF-SNVBAGLBSA-N 1 0 303.269 3.085 10 0 DGAERO Ic1ccc(C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000084067278 1176403955 /nfs/dbraw/zinc/40/39/55/1176403955.db2.gz LZYVMMAFYUNTFX-CYBMUJFWSA-N 1 0 313.182 3.490 10 0 DGAERO CCOCC[NH2+]Cc1ccc(Br)cc1SC ZINC000309661266 1176748261 /nfs/dbraw/zinc/74/82/61/1176748261.db2.gz RKPPECUVEOXMJD-UHFFFAOYSA-N 1 0 304.253 3.297 10 0 DGAERO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CO1 ZINC000396921665 1176775368 /nfs/dbraw/zinc/77/53/68/1176775368.db2.gz JUGVLFYBASOHGM-MSOLQXFVSA-N 1 0 302.462 3.198 10 0 DGAERO CCC[N@H+](CC)CCNCc1cccc(Br)c1F ZINC000395014817 1176777398 /nfs/dbraw/zinc/77/73/98/1176777398.db2.gz NIOSUVBMTWMZGL-UHFFFAOYSA-N 1 0 317.246 3.410 10 0 DGAERO CSCCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397852773 1177013155 /nfs/dbraw/zinc/01/31/55/1177013155.db2.gz VKLAHKXVIPVJNN-VXGBXAGGSA-N 1 0 302.484 3.021 10 0 DGAERO CC[C@@H](COC)[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC000381933434 1177018241 /nfs/dbraw/zinc/01/82/41/1177018241.db2.gz SRFFPTAXPYARMJ-KBPBESRZSA-N 1 0 302.459 3.085 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC000081501431 1197226671 /nfs/dbraw/zinc/22/66/71/1197226671.db2.gz WOIWZZICIQPDFN-AWEZNQCLSA-N 1 0 311.495 3.052 10 0 DGAERO C[C@@H](CNc1ccc(C#N)c(Br)c1F)C[NH+](C)C ZINC000381040385 1177334803 /nfs/dbraw/zinc/33/48/03/1177334803.db2.gz VTOUVQRJOJNCFO-VIFPVBQESA-N 1 0 314.202 3.069 10 0 DGAERO CC(C)[C@@H]1C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CCO1 ZINC000225591062 1177549026 /nfs/dbraw/zinc/54/90/26/1177549026.db2.gz SVCIDRIACWZHSB-GJZGRUSLSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC000085355948 1177644754 /nfs/dbraw/zinc/64/47/54/1177644754.db2.gz CVQVNWGRGOONBB-YPMHNXCESA-N 1 0 311.223 3.214 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000085359906 1177648636 /nfs/dbraw/zinc/64/86/36/1177648636.db2.gz MUNFBKYQZZPQIB-VXGBXAGGSA-N 1 0 300.374 3.457 10 0 DGAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000085370647 1177713794 /nfs/dbraw/zinc/71/37/94/1177713794.db2.gz LBHHXDJNEWUERP-JOYOIKCWSA-N 1 0 304.287 3.301 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000085371540 1177714030 /nfs/dbraw/zinc/71/40/30/1177714030.db2.gz HBKJUANTHIOPLD-KOLCDFICSA-N 1 0 318.751 3.397 10 0 DGAERO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388470909 1178073071 /nfs/dbraw/zinc/07/30/71/1178073071.db2.gz IOFQXGDYUNOQSV-ZCNNSNEGSA-N 1 0 316.489 3.134 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ncccc1Br ZINC000049558107 1194538508 /nfs/dbraw/zinc/53/85/08/1194538508.db2.gz HYEFINAWZAVJMK-NSHDSACASA-N 1 0 300.244 3.232 10 0 DGAERO c1cc(C[NH2+]CCCOC2CCCC2)c2c(c1)OCCCO2 ZINC000057972274 1194929722 /nfs/dbraw/zinc/92/97/22/1194929722.db2.gz JRUVUXFGOBXVJZ-UHFFFAOYSA-N 1 0 305.418 3.287 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1N)c1cccs1 ZINC000059927922 1195125483 /nfs/dbraw/zinc/12/54/83/1195125483.db2.gz KZQVEOVLMPAVOK-ZDUSSCGKSA-N 1 0 323.849 3.016 10 0 DGAERO c1ccc2[nH]c(CCC[NH2+]Cc3cccc4c3OCO4)nc2c1 ZINC000060972418 1195166966 /nfs/dbraw/zinc/16/69/66/1195166966.db2.gz RWQOCFXDHCWSMQ-UHFFFAOYSA-N 1 0 309.369 3.014 10 0 DGAERO Cn1c(CNCCC[N@H+](C)Cc2ccccc2)nc2ccccc21 ZINC000066970829 1195579741 /nfs/dbraw/zinc/57/97/41/1195579741.db2.gz VKIBQTPJRUYKKL-UHFFFAOYSA-N 1 0 322.456 3.185 10 0 DGAERO CC(C)[NH2+][C@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000071297984 1195949051 /nfs/dbraw/zinc/94/90/51/1195949051.db2.gz JKSRHSUBLFQVSW-LBPRGKRZSA-N 1 0 317.296 3.473 10 0 DGAERO C(=C/c1ccccc1)\C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000075115255 1196350522 /nfs/dbraw/zinc/35/05/22/1196350522.db2.gz AFQINVGDGFXYFK-CLNPQZTCSA-N 1 0 322.452 3.363 10 0 DGAERO Cc1ncsc1CNCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000080234675 1197050002 /nfs/dbraw/zinc/05/00/02/1197050002.db2.gz INBGGHQLKWFYFB-AWEZNQCLSA-N 1 0 303.475 3.452 10 0 DGAERO C[C@@H](Cc1ccsc1)N(C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000081477455 1197224163 /nfs/dbraw/zinc/22/41/63/1197224163.db2.gz ITUKMUVOQNLFQX-GJZGRUSLSA-N 1 0 323.506 3.052 10 0 DGAERO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379624740 1197704234 /nfs/dbraw/zinc/70/42/34/1197704234.db2.gz JTSRNPXZBGMDBF-SFHVURJKSA-N 1 0 312.461 3.171 10 0 DGAERO C[C@H]1CC[N@H+](CC2CCC(O)CC2)CCN1Cc1ccccc1 ZINC000382643133 1197705035 /nfs/dbraw/zinc/70/50/35/1197705035.db2.gz APOJJJDDZOZDRH-KKXNLOMOSA-N 1 0 316.489 3.134 10 0 DGAERO c1c(C[NH2+]CCCCOCc2ccccc2)nc2ccccn12 ZINC000390598175 1197713725 /nfs/dbraw/zinc/71/37/25/1197713725.db2.gz YBXHPXDUAFRXSR-UHFFFAOYSA-N 1 0 309.413 3.421 10 0 DGAERO c1cn(-c2ccccc2)nc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000091060553 1198339421 /nfs/dbraw/zinc/33/94/21/1198339421.db2.gz KKGSKBYMSLAHGH-UHFFFAOYSA-N 1 0 319.408 3.140 10 0 DGAERO CCSCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404743652 1199581200 /nfs/dbraw/zinc/58/12/00/1199581200.db2.gz QSEAXSRYPHUTMS-RYUDHWBXSA-N 1 0 302.484 3.021 10 0 DGAERO CCCn1cncc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000303211469 1199587945 /nfs/dbraw/zinc/58/79/45/1199587945.db2.gz WWMRYPISMUPCFM-GOSISDBHSA-N 1 0 312.461 3.047 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C1)CCN(c1cc[nH+]cc1)CC2 ZINC000113929408 1199688015 /nfs/dbraw/zinc/68/80/15/1199688015.db2.gz FDKJKVQUPTVYQW-UHFFFAOYSA-N 1 0 317.433 3.309 10 0 DGAERO CC(C)OCCCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000309740068 1199708375 /nfs/dbraw/zinc/70/83/75/1199708375.db2.gz ROZCKPVBHPRIMB-IBGZPJMESA-N 1 0 304.478 3.446 10 0 DGAERO COCC1(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)CCC1 ZINC000309782252 1199709557 /nfs/dbraw/zinc/70/95/57/1199709557.db2.gz LISKHADIHGYDHJ-AWEZNQCLSA-N 1 0 314.470 3.086 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000309962571 1199711205 /nfs/dbraw/zinc/71/12/05/1199711205.db2.gz JEKQDDREWSXEMM-MELADBBJSA-N 1 0 314.470 3.083 10 0 DGAERO c1cc(C[NH2+]CCOC[C@H]2CCCO2)cc(OC2CCCC2)c1 ZINC000115625218 1199756382 /nfs/dbraw/zinc/75/63/82/1199756382.db2.gz RYSRCUTYWVIBLQ-LJQANCHMSA-N 1 0 319.445 3.293 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(CO)c2)cn1 ZINC000121362657 1200210111 /nfs/dbraw/zinc/21/01/11/1200210111.db2.gz KQENEHVRHDHRKU-OAHLLOKOSA-N 1 0 313.445 3.271 10 0 DGAERO COc1ccc2c(c1)C[C@@H]([NH2+]CCOCc1ccccc1)CC2 ZINC000121491687 1200217715 /nfs/dbraw/zinc/21/77/15/1200217715.db2.gz XKJDPSLYUVMVHR-IBGZPJMESA-N 1 0 311.425 3.359 10 0 DGAERO CCOCCCC[NH2+]Cc1cc(O)ccc1Br ZINC000126593445 1200580184 /nfs/dbraw/zinc/58/01/84/1200580184.db2.gz XATWLVFRDMTGCG-UHFFFAOYSA-N 1 0 302.212 3.061 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000133975741 1201197087 /nfs/dbraw/zinc/19/70/87/1201197087.db2.gz AMKSIEBFWZDUIS-ZDUSSCGKSA-N 1 0 315.369 3.154 10 0 DGAERO FC(F)(F)c1cccnc1NCC[NH2+]Cc1cccs1 ZINC000152759680 1202595091 /nfs/dbraw/zinc/59/50/91/1202595091.db2.gz YECOPJRKWCEIDJ-UHFFFAOYSA-N 1 0 301.337 3.364 10 0 DGAERO Oc1cccc(C[NH2+]CCNc2ncccc2C(F)(F)F)c1 ZINC000152758647 1202595163 /nfs/dbraw/zinc/59/51/63/1202595163.db2.gz YHWAGKOAQOSSFL-UHFFFAOYSA-N 1 0 311.307 3.008 10 0 DGAERO Clc1ccc(C[NH2+]CCCO[C@@H]2CCOC2)cc1Cl ZINC000152961429 1202595607 /nfs/dbraw/zinc/59/56/07/1202595607.db2.gz YQMLGHVGCNWZOE-GFCCVEGCSA-N 1 0 304.217 3.279 10 0 DGAERO Cc1ccc(C[NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)cn1 ZINC000231357601 1202599167 /nfs/dbraw/zinc/59/91/67/1202599167.db2.gz GWYCNNRDJHDZIF-UHFFFAOYSA-N 1 0 319.449 3.269 10 0 DGAERO CC[C@@H](O)C[NH2+][C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000232141550 1202600676 /nfs/dbraw/zinc/60/06/76/1202600676.db2.gz DZPFWCCFUHXUKB-ZBFHGGJFSA-N 1 0 320.433 3.381 10 0 DGAERO CCN(CC[NH2+]Cc1cc(F)ccc1C)C(=O)OC(C)(C)C ZINC000233474627 1202602741 /nfs/dbraw/zinc/60/27/41/1202602741.db2.gz ZYALYBKWFZURFX-UHFFFAOYSA-N 1 0 310.413 3.481 10 0 DGAERO c1cn(-c2ccc(C[NH2+]Cc3ccc4c[nH]nc4c3)cc2)cn1 ZINC000236578009 1202612673 /nfs/dbraw/zinc/61/26/73/1202612673.db2.gz CHQDBMGQEKRDGV-UHFFFAOYSA-N 1 0 303.369 3.038 10 0 DGAERO CN1CCC[C@H]1C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000237086877 1202646290 /nfs/dbraw/zinc/64/62/90/1202646290.db2.gz HEHYXBMFQVPLHQ-IBGZPJMESA-N 1 0 310.441 3.449 10 0 DGAERO CCN(C(=O)C[NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000243528126 1203590244 /nfs/dbraw/zinc/59/02/44/1203590244.db2.gz OBSVADCNBTVYIR-UHFFFAOYSA-N 1 0 300.377 3.011 10 0 DGAERO Fc1cc(OCC[N@@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1Cl ZINC000248829619 1203810288 /nfs/dbraw/zinc/81/02/88/1203810288.db2.gz HUFBWWGPXUOWQG-BLLLJJGKSA-N 1 0 313.800 3.359 10 0 DGAERO CN(C(=O)/C=C\c1ccco1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000254929873 1203832744 /nfs/dbraw/zinc/83/27/44/1203832744.db2.gz BZPMMBGZYROJJR-KTKRTIGZSA-N 1 0 324.424 3.416 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H](C)Cc2ccsc2)C1 ZINC000175995524 1203922750 /nfs/dbraw/zinc/92/27/50/1203922750.db2.gz CNZIWJWFMHWBDM-GOEBONIOSA-N 1 0 323.506 3.052 10 0 DGAERO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000177367990 1203948234 /nfs/dbraw/zinc/94/82/34/1203948234.db2.gz BUTSOYBREIUARI-AWEZNQCLSA-N 1 0 312.442 3.392 10 0 DGAERO CCOc1cccc([C@H](C)NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)c1 ZINC000262214846 1204308441 /nfs/dbraw/zinc/30/84/41/1204308441.db2.gz OOHXCRQOUPWDOJ-URLQWDBASA-N 1 0 316.445 3.042 10 0 DGAERO CC(C)[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cc1F ZINC000262375080 1204317405 /nfs/dbraw/zinc/31/74/05/1204317405.db2.gz MUYQHRKYBBKKRV-MKBNYLNASA-N 1 0 310.388 3.166 10 0 DGAERO C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1cc2ccccc2o1 ZINC000262555260 1204324992 /nfs/dbraw/zinc/32/49/92/1204324992.db2.gz UBQLNUMGZQKDMR-MLGOLLRUSA-N 1 0 300.402 3.388 10 0 DGAERO CC[NH+](CC)CCN[C@@H](c1nccn1C)c1ccccc1Cl ZINC000180659919 1204333251 /nfs/dbraw/zinc/33/32/51/1204333251.db2.gz FCYHKPFDDYPRNF-MRXNPFEDSA-N 1 0 320.868 3.094 10 0 DGAERO COc1ccccc1/C=C\C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000588432623 1082250291 /nfs/dbraw/zinc/25/02/91/1082250291.db2.gz PMACXJZOXOTCAK-AFCDSYGPSA-N 1 0 317.429 3.183 10 0 DGAERO CCOC(=O)CCCCC[N@@H+]1CCC=C(Br)C1 ZINC000404389857 1082667196 /nfs/dbraw/zinc/66/71/96/1082667196.db2.gz HOQHZKIRAVICQN-UHFFFAOYSA-N 1 0 304.228 3.094 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+]C2CCSCC2)CC1 ZINC000404680262 1082725231 /nfs/dbraw/zinc/72/52/31/1082725231.db2.gz JYXAADUSFHODFW-UHFFFAOYSA-N 1 0 314.495 3.167 10 0 DGAERO Cc1nc(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC000080234630 1083117848 /nfs/dbraw/zinc/11/78/48/1083117848.db2.gz DOTWBGSAHOWPCY-AWEZNQCLSA-N 1 0 303.475 3.452 10 0 DGAERO COc1ccc(C[NH2+]CCC(C)(C)OC)c(Br)c1 ZINC000711886472 1085556718 /nfs/dbraw/zinc/55/67/18/1085556718.db2.gz FPGHYZCGGFCQDH-UHFFFAOYSA-N 1 0 316.239 3.362 10 0 DGAERO Cn1cc(C[NH2+]C(C2CCC2)C2CCC2)c(Br)n1 ZINC000712481641 1085736606 /nfs/dbraw/zinc/73/66/06/1085736606.db2.gz GBWKQVUKNFMWBC-UHFFFAOYSA-N 1 0 312.255 3.241 10 0 DGAERO C[C@@H](C(=O)OCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000176554664 1087961603 /nfs/dbraw/zinc/96/16/03/1087961603.db2.gz QXTPGKPLSMKLPY-OAHLLOKOSA-N 1 0 301.430 3.488 10 0 DGAERO CSCCCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401750326 1092192110 /nfs/dbraw/zinc/19/21/10/1092192110.db2.gz XIZVGKMVDRFIPY-ZIAGYGMSSA-N 1 0 316.511 3.365 10 0 DGAERO CSCCCC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401750325 1092192982 /nfs/dbraw/zinc/19/29/82/1092192982.db2.gz XIZVGKMVDRFIPY-UONOGXRCSA-N 1 0 316.511 3.365 10 0 DGAERO C[C@H]([NH2+]Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400333483 1093886379 /nfs/dbraw/zinc/88/63/79/1093886379.db2.gz DNLJHZGAAPQSLU-AWEZNQCLSA-N 1 0 319.449 3.207 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCCCF)C[C@@H]2C1 ZINC000400983888 1093930721 /nfs/dbraw/zinc/93/07/21/1093930721.db2.gz UBYNMVWKTHZBOF-ZNMIVQPWSA-N 1 0 314.445 3.361 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401121683 1093937113 /nfs/dbraw/zinc/93/71/13/1093937113.db2.gz LVEVLDQSNLDXRO-LJIZCISZSA-N 1 0 308.466 3.410 10 0 DGAERO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000305052187 1093943327 /nfs/dbraw/zinc/94/33/27/1093943327.db2.gz ANVKDSFTMRAALN-JTQLQIEISA-N 1 0 318.230 3.475 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCOCC2)C12CCCC2 ZINC000401378669 1093946421 /nfs/dbraw/zinc/94/64/21/1093946421.db2.gz DDWOEDHAUQSRMF-OAHLLOKOSA-N 1 0 324.465 3.077 10 0 DGAERO C[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401732791 1093968728 /nfs/dbraw/zinc/96/87/28/1093968728.db2.gz VXXPGVPIKAIQDT-ZFWWWQNUSA-N 1 0 320.433 3.127 10 0 DGAERO CSC1(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000401744715 1093969358 /nfs/dbraw/zinc/96/93/58/1093969358.db2.gz UFUPQADKRKFDSE-CHWSQXEVSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401748486 1093969901 /nfs/dbraw/zinc/96/99/01/1093969901.db2.gz LVLYQMAFIOYUAX-AAEUAGOBSA-N 1 0 318.408 3.267 10 0 DGAERO CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)NC(=O)OC(C)(C)C ZINC000403639585 1094156620 /nfs/dbraw/zinc/15/66/20/1094156620.db2.gz PAWHFRDXTSQPRX-FUDCBSFHSA-N 1 0 314.495 3.306 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403641271 1094159049 /nfs/dbraw/zinc/15/90/49/1094159049.db2.gz PXBMRQAZTUVZQB-YHWZYXNKSA-N 1 0 314.495 3.306 10 0 DGAERO c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c2c(c1)OCCCO2 ZINC000403654274 1094159805 /nfs/dbraw/zinc/15/98/05/1094159805.db2.gz VWNFPIFKVOOYFZ-GOOCMWNKSA-N 1 0 305.443 3.364 10 0 DGAERO CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccns1 ZINC000404420830 1094257390 /nfs/dbraw/zinc/25/73/90/1094257390.db2.gz COZVAKIFFHCORG-LBPRGKRZSA-N 1 0 313.467 3.316 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC2CC2)Cc2ccccc21 ZINC000404427571 1094257679 /nfs/dbraw/zinc/25/76/79/1094257679.db2.gz FGEXWTRBUHRWMI-OAHLLOKOSA-N 1 0 302.418 3.352 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000404462868 1094258242 /nfs/dbraw/zinc/25/82/42/1094258242.db2.gz SOBRPRWCWIILGT-RYUDHWBXSA-N 1 0 311.451 3.069 10 0 DGAERO Cc1occc1C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404754750 1094267230 /nfs/dbraw/zinc/26/72/30/1094267230.db2.gz KDXNABWTXXVFIK-UHFFFAOYSA-N 1 0 308.422 3.373 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)o1 ZINC000404783311 1094268485 /nfs/dbraw/zinc/26/84/85/1094268485.db2.gz XBTVTEQHCPJMNE-UONOGXRCSA-N 1 0 323.437 3.073 10 0 DGAERO C[C@H]([NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)c1cccnc1 ZINC000404771542 1094268628 /nfs/dbraw/zinc/26/86/28/1094268628.db2.gz XAZYOCANLCHHQP-AWEZNQCLSA-N 1 0 319.449 3.427 10 0 DGAERO CSc1ccc(Cl)c(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000721070619 1096534353 /nfs/dbraw/zinc/53/43/53/1096534353.db2.gz UMHUURALDRLOPO-GHMZBOCLSA-N 1 0 312.866 3.037 10 0 DGAERO CSC1(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000721907744 1098155162 /nfs/dbraw/zinc/15/51/62/1098155162.db2.gz XSKOPJXWPNGUKT-GFCCVEGCSA-N 1 0 314.495 3.117 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000150951839 1099378668 /nfs/dbraw/zinc/37/86/68/1099378668.db2.gz FCBGLTLLGLCNBL-JQWIXIFHSA-N 1 0 311.223 3.214 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CO1 ZINC000722501906 1100297150 /nfs/dbraw/zinc/29/71/50/1100297150.db2.gz IEEYDEFLRLMRGV-ZNMIVQPWSA-N 1 0 310.438 3.096 10 0 DGAERO O=C1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CN1CC1CC1 ZINC000716794515 1101241585 /nfs/dbraw/zinc/24/15/85/1101241585.db2.gz LZPZOKUTILZFJW-AWEZNQCLSA-N 1 0 313.228 3.094 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085368748 1101476726 /nfs/dbraw/zinc/47/67/26/1101476726.db2.gz ZQERDBVSCMIODB-ZIAGYGMSSA-N 1 0 315.244 3.469 10 0 DGAERO COC(=O)/C(C)=C\C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000717969826 1104471812 /nfs/dbraw/zinc/47/18/12/1104471812.db2.gz HXSABFZCWDEDBA-YWALDVPYSA-N 1 0 317.429 3.079 10 0 DGAERO Cc1ccc(C[NH2+][C@H](CO)C2CCC2)c(C)c1Br ZINC000719612660 1104960582 /nfs/dbraw/zinc/96/05/82/1104960582.db2.gz MCJRREODPAUUAK-CQSZACIVSA-N 1 0 312.251 3.317 10 0 DGAERO C[NH+](C)CCCNCc1cccc(Cl)c1Br ZINC000719468540 1105550615 /nfs/dbraw/zinc/55/06/15/1105550615.db2.gz MZFPNCGLUAYALB-UHFFFAOYSA-N 1 0 305.647 3.144 10 0 DGAERO OCc1csc(C[NH2+]CCc2ccc(Cl)cc2Cl)n1 ZINC000723185876 1105596562 /nfs/dbraw/zinc/59/65/62/1105596562.db2.gz FNWANDIEMKCCPO-UHFFFAOYSA-N 1 0 317.241 3.275 10 0 DGAERO CCCCOCC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724106950 1106627810 /nfs/dbraw/zinc/62/78/10/1106627810.db2.gz SUXARFMXFWDTRG-GJZGRUSLSA-N 1 0 314.470 3.086 10 0 DGAERO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC(F)F ZINC000381761474 1108108475 /nfs/dbraw/zinc/10/84/75/1108108475.db2.gz KTGPHADJMKGLHB-RYUDHWBXSA-N 1 0 306.397 3.409 10 0 DGAERO CC(C)(C)n1cc(C[NH2+]CCCOCc2ccccc2)cn1 ZINC000390079450 1108664913 /nfs/dbraw/zinc/66/49/13/1108664913.db2.gz ARCCGKASJUNAIZ-UHFFFAOYSA-N 1 0 301.434 3.335 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(F)F)C1(C)C ZINC000701725860 1108981200 /nfs/dbraw/zinc/98/12/00/1108981200.db2.gz SMNMZZUWWYFXLY-RWSFTLGLSA-N 1 0 318.408 3.313 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246840505 546306335 /nfs/dbraw/zinc/30/63/35/546306335.db2.gz CDLNEUNTMOHYJJ-YNEHKIRRSA-N 1 0 308.388 3.344 10 0 DGAERO CN1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300415197 546435628 /nfs/dbraw/zinc/43/56/28/546435628.db2.gz SREQLBVTELDDDG-ABAIWWIYSA-N 1 0 309.251 3.120 10 0 DGAERO CCCCNC(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181285865 199276125 /nfs/dbraw/zinc/27/61/25/199276125.db2.gz PJTUZWFMRDIPJJ-OAHLLOKOSA-N 1 0 311.429 3.316 10 0 DGAERO OC1CCC(C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000394912301 546761026 /nfs/dbraw/zinc/76/10/26/546761026.db2.gz HBVJRGMHYAJGLW-UHFFFAOYSA-N 1 0 316.214 3.229 10 0 DGAERO OCC[C@H]1CCC[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000311327676 231118061 /nfs/dbraw/zinc/11/80/61/231118061.db2.gz DZGLBCVOWWWJAT-LLVKDONJSA-N 1 0 304.217 3.219 10 0 DGAERO CC[NH2+]Cc1sc(-c2ccccc2OCC)nc1COC ZINC000082446365 185183442 /nfs/dbraw/zinc/18/34/42/185183442.db2.gz YPZGNHNZBFGARQ-UHFFFAOYSA-N 1 0 306.431 3.465 10 0 DGAERO CC[NH2+]Cc1sc(-c2cccc(OCC)c2)nc1COC ZINC000082446402 185183589 /nfs/dbraw/zinc/18/35/89/185183589.db2.gz HXKCTCXDJSURTG-UHFFFAOYSA-N 1 0 306.431 3.465 10 0 DGAERO OCCC1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000310099055 231111367 /nfs/dbraw/zinc/11/13/67/231111367.db2.gz MOGMLGJQULGNAS-SNVBAGLBSA-N 1 0 316.264 3.250 10 0 DGAERO c1cnc(N2CCC[C@@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)nc1 ZINC000321796998 231204859 /nfs/dbraw/zinc/20/48/59/231204859.db2.gz XIYUSWWIFKANKR-GOSISDBHSA-N 1 0 308.429 3.113 10 0 DGAERO CCCOc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)cc1Br ZINC000083162893 185215385 /nfs/dbraw/zinc/21/53/85/185215385.db2.gz AYAKSZIOTQCYTR-GXTWGEPZSA-N 1 0 314.223 3.023 10 0 DGAERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H](C)CCc2ccco2)cn1 ZINC000328628459 231260857 /nfs/dbraw/zinc/26/08/57/231260857.db2.gz HGZVFOIISPXHEA-JCGIZDLHSA-N 1 0 317.433 3.327 10 0 DGAERO CN(CC1CC1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063463678 432005503 /nfs/dbraw/zinc/00/55/03/432005503.db2.gz ANTFVLAWXPOSCS-SFHVURJKSA-N 1 0 315.461 3.093 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1OC(F)F ZINC000178294166 282214672 /nfs/dbraw/zinc/21/46/72/282214672.db2.gz HVFKNKFZOLNWFD-HNNXBMFYSA-N 1 0 321.371 3.458 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000090114992 185283155 /nfs/dbraw/zinc/28/31/55/185283155.db2.gz QECYIVZHJSUILY-XFBWCDHKSA-N 1 0 321.852 3.170 10 0 DGAERO COc1cccc(C(=O)NCCCC[NH+]2CCC(C)CC2)c1F ZINC000090200912 185286781 /nfs/dbraw/zinc/28/67/81/185286781.db2.gz SGIIXPCQNUXMDJ-UHFFFAOYSA-N 1 0 322.424 3.076 10 0 DGAERO C[NH+](C)CCc1cccc(-c2c[nH]c(=O)c3cccc(O)c32)c1 ZINC000090502507 185299448 /nfs/dbraw/zinc/29/94/48/185299448.db2.gz MHXTZTCTSHJGEF-UHFFFAOYSA-N 1 0 308.381 3.005 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181325369 199281378 /nfs/dbraw/zinc/28/13/78/199281378.db2.gz VXBCULPBUKSXGU-HNNXBMFYSA-N 1 0 309.413 3.022 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C2(c3cccc(F)c3)CC2)CC1 ZINC000129451961 432005869 /nfs/dbraw/zinc/00/58/69/432005869.db2.gz DWPCCCTWBDQOHX-UHFFFAOYSA-N 1 0 318.436 3.094 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)C(C)C ZINC000090453861 185297249 /nfs/dbraw/zinc/29/72/49/185297249.db2.gz MHOHXAOOMIEGLQ-FUHWJXTLSA-N 1 0 313.445 3.133 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000092405799 185316506 /nfs/dbraw/zinc/31/65/06/185316506.db2.gz XQDRBTBWDKPLEH-UHFFFAOYSA-N 1 0 312.457 3.108 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc2c1OCCO2 ZINC000092485527 185321750 /nfs/dbraw/zinc/32/17/50/185321750.db2.gz LUJBGKBPOAXTMT-CABCVRRESA-N 1 0 303.402 3.231 10 0 DGAERO CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000092789043 185341217 /nfs/dbraw/zinc/34/12/17/185341217.db2.gz SVRCWWXFZNDDNT-ZDUSSCGKSA-N 1 0 318.490 3.381 10 0 DGAERO c1cc2c(cccc2C[N@H+]2CC[C@H](CNc3ccccn3)C2)[nH]1 ZINC000092812944 185343615 /nfs/dbraw/zinc/34/36/15/185343615.db2.gz IVDWTHQMIJQTTR-OAHLLOKOSA-N 1 0 306.413 3.497 10 0 DGAERO Cc1cn2c(C[NH+]3CCC(c4cc[nH]n4)CC3)c(C)nc2s1 ZINC000092810953 185342890 /nfs/dbraw/zinc/34/28/90/185342890.db2.gz NHDDQGBJVQKVDD-UHFFFAOYSA-N 1 0 315.446 3.115 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCOC2=O)cc1 ZINC000181406527 199292296 /nfs/dbraw/zinc/29/22/96/199292296.db2.gz AFCNTZOGMWURCJ-ZBFHGGJFSA-N 1 0 305.418 3.325 10 0 DGAERO CC(C)COC1CC[NH+](CCC(=O)OCc2ccccc2)CC1 ZINC000181436688 199296830 /nfs/dbraw/zinc/29/68/30/199296830.db2.gz XPSKBUFGHRRLQL-UHFFFAOYSA-N 1 0 319.445 3.257 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C2CCCCC2)[C@H](C)C1 ZINC000129595586 432007325 /nfs/dbraw/zinc/00/73/25/432007325.db2.gz JOLVKPBTOBECHH-VYDXJSESSA-N 1 0 309.498 3.327 10 0 DGAERO C[NH+]1CCC(OCC(O)(c2ccccc2)c2ccccc2)CC1 ZINC000169342357 197744555 /nfs/dbraw/zinc/74/45/55/197744555.db2.gz FFAYYBIZRATWRN-UHFFFAOYSA-N 1 0 311.425 3.033 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000103479359 432009855 /nfs/dbraw/zinc/00/98/55/432009855.db2.gz OCFFFJXDIOZPOJ-AWEZNQCLSA-N 1 0 317.364 3.034 10 0 DGAERO C[NH+]1CCC(Nc2nnc(-c3ccccc3Cl)s2)CC1 ZINC000302146895 530050759 /nfs/dbraw/zinc/05/07/59/530050759.db2.gz IJVLJSJEEOPONT-UHFFFAOYSA-N 1 0 308.838 3.365 10 0 DGAERO O=C(Cc1cccc(Cl)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529480 185482911 /nfs/dbraw/zinc/48/29/11/185482911.db2.gz AMNSGIYJJZIWEX-KRWDZBQOSA-N 1 0 320.864 3.359 10 0 DGAERO CCCNC(=O)CC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000129937199 432011776 /nfs/dbraw/zinc/01/17/76/432011776.db2.gz PLGSJJNKVOIAPQ-MRXNPFEDSA-N 1 0 304.434 3.023 10 0 DGAERO Cc1nc(CN2CCC[C@H]2C[NH+]2CCCCC2)nc2ccccc12 ZINC000107897104 185495391 /nfs/dbraw/zinc/49/53/91/185495391.db2.gz VVYWILODBMPBSN-KRWDZBQOSA-N 1 0 324.472 3.389 10 0 DGAERO C[C@@H]([NH2+]Cc1ccnc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000181737714 199345868 /nfs/dbraw/zinc/34/58/68/199345868.db2.gz NBGXGZWXNZZRGR-LLVKDONJSA-N 1 0 304.777 3.357 10 0 DGAERO C[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000108820609 185534590 /nfs/dbraw/zinc/53/45/90/185534590.db2.gz VJVORXHURWSEJL-PMACEKPBSA-N 1 0 322.452 3.496 10 0 DGAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCOC1CCCC1 ZINC000108942676 185541966 /nfs/dbraw/zinc/54/19/66/185541966.db2.gz OXYPXOMTEQVUHE-AWEZNQCLSA-N 1 0 305.418 3.285 10 0 DGAERO Cc1noc([C@H](C)N2CC[NH+](CC3CCCCCC3)CC2)n1 ZINC000121250379 282410992 /nfs/dbraw/zinc/41/09/92/282410992.db2.gz FTFQIXUEUYAIMC-AWEZNQCLSA-N 1 0 306.454 3.027 10 0 DGAERO Cc1oncc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000130058056 432013639 /nfs/dbraw/zinc/01/36/39/432013639.db2.gz BRJUALNYANRHDA-HNNXBMFYSA-N 1 0 323.400 3.148 10 0 DGAERO CCOc1c(F)cccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130072713 432014645 /nfs/dbraw/zinc/01/46/45/432014645.db2.gz WJSWHUBUPBBHAQ-UHFFFAOYSA-N 1 0 322.424 3.075 10 0 DGAERO CC(C)(C)c1ccc(CCC(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000236581671 201930067 /nfs/dbraw/zinc/93/00/67/201930067.db2.gz QOQLBPBCJLGCLC-RDJZCZTQSA-N 1 0 302.462 3.160 10 0 DGAERO CC(C)CCSCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130192928 432017802 /nfs/dbraw/zinc/01/78/02/432017802.db2.gz AXPBIGGNHXNFGA-UHFFFAOYSA-N 1 0 300.512 3.002 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)NCCc1ccc(-c2ccccc2)cc1 ZINC000130211105 432017831 /nfs/dbraw/zinc/01/78/31/432017831.db2.gz HWVRSOWDCPVHOP-QGZVFWFLSA-N 1 0 308.425 3.012 10 0 DGAERO CCCCOc1ccc(OC)cc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000236641612 201943656 /nfs/dbraw/zinc/94/36/56/201943656.db2.gz RPAOILJUSGHIQW-KBPBESRZSA-N 1 0 320.433 3.330 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)CC2 ZINC000130262266 432019607 /nfs/dbraw/zinc/01/96/07/432019607.db2.gz GPRDHDBYRCIJEP-VHSXEESVSA-N 1 0 310.854 3.221 10 0 DGAERO Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000123991233 185864598 /nfs/dbraw/zinc/86/45/98/185864598.db2.gz LNJYFKLCDHSJJK-MRXNPFEDSA-N 1 0 304.409 3.225 10 0 DGAERO c1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000279854654 215181647 /nfs/dbraw/zinc/18/16/47/215181647.db2.gz PHMUUPHCUKONJS-GOSISDBHSA-N 1 0 324.472 3.323 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000130366450 432021979 /nfs/dbraw/zinc/02/19/79/432021979.db2.gz CDBYPTOUOKEMKG-MSOLQXFVSA-N 1 0 302.462 3.273 10 0 DGAERO CC(C)C1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000080506570 192164087 /nfs/dbraw/zinc/16/40/87/192164087.db2.gz HOTUKUYQYMFKKU-ALOPSCKCSA-N 1 0 307.482 3.079 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070575424 190907365 /nfs/dbraw/zinc/90/73/65/190907365.db2.gz SFCZCFQHBNZCRX-CMPLNLGQSA-N 1 0 311.223 3.214 10 0 DGAERO Cc1cc(F)ccc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000133637427 186001660 /nfs/dbraw/zinc/00/16/60/186001660.db2.gz CSUCTEYCXWQUAW-UHFFFAOYSA-N 1 0 318.367 3.265 10 0 DGAERO CC(C)[C@H]1C[N@@H+](C(C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071767771 191028683 /nfs/dbraw/zinc/02/86/83/191028683.db2.gz PQSZAYCKWOLESH-QGZVFWFLSA-N 1 0 306.425 3.293 10 0 DGAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cn1 ZINC000328655772 282682052 /nfs/dbraw/zinc/68/20/52/282682052.db2.gz YQYYZUCOZFBALW-NRSFXHEJSA-N 1 0 303.450 3.199 10 0 DGAERO c1ncn(C[C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)n1 ZINC000171506651 186169788 /nfs/dbraw/zinc/16/97/88/186169788.db2.gz BTUTZSQPHVQJGX-QGZVFWFLSA-N 1 0 306.413 3.344 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c(C)s1 ZINC000171506766 186170261 /nfs/dbraw/zinc/17/02/61/186170261.db2.gz BQDCGDHKJZCFMC-INIZCTEOSA-N 1 0 318.490 3.485 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCCNC1=O)[C@H](C)c1nc2ccccc2s1 ZINC000177874561 186197757 /nfs/dbraw/zinc/19/77/57/186197757.db2.gz MSGVDRANHSJZQY-SGMGOOAPSA-N 1 0 317.458 3.047 10 0 DGAERO CNC(=O)C(C)(C)C[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000183840037 186222752 /nfs/dbraw/zinc/22/27/52/186222752.db2.gz MANYOLAOIPLIQN-GOSISDBHSA-N 1 0 310.441 3.446 10 0 DGAERO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000183867016 186225667 /nfs/dbraw/zinc/22/56/67/186225667.db2.gz ASUWCSOJNLQKPC-ZBFHGGJFSA-N 1 0 309.413 3.166 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2nc3ccccc3n2C(F)F)C1 ZINC000187982498 186239167 /nfs/dbraw/zinc/23/91/67/186239167.db2.gz VOYIXYHXIFAAOV-PXAZEXFGSA-N 1 0 323.387 3.414 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000188030057 186246072 /nfs/dbraw/zinc/24/60/72/186246072.db2.gz SCGCMHVPVRUXLJ-ZBFHGGJFSA-N 1 0 304.434 3.443 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000237454389 186291671 /nfs/dbraw/zinc/29/16/71/186291671.db2.gz QUKSOFMRRKTCFV-FZMZJTMJSA-N 1 0 321.490 3.451 10 0 DGAERO Cc1ccc(C[C@@H](C)N(C)C(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237507702 186299228 /nfs/dbraw/zinc/29/92/28/186299228.db2.gz SFXOFFULTNPUNZ-VQIMIIECSA-N 1 0 310.441 3.475 10 0 DGAERO C[NH+]1CCC([C@H]2CCN(C(=O)NCC3CCCCCC3)C2)CC1 ZINC000455372126 282719590 /nfs/dbraw/zinc/71/95/90/282719590.db2.gz PVHAYFJXNJGROS-SFHVURJKSA-N 1 0 321.509 3.330 10 0 DGAERO COc1ccc(Br)cc1C[N@H+](C[C@H](C)O)C(C)C ZINC000107041550 432026182 /nfs/dbraw/zinc/02/61/82/432026182.db2.gz DJNRFBGCIFRQGY-NSHDSACASA-N 1 0 316.239 3.049 10 0 DGAERO Cc1c(C)n(C2CCCC2)c2ncnc(OC3CC[NH2+]CC3)c12 ZINC000072336031 191126808 /nfs/dbraw/zinc/12/68/08/191126808.db2.gz UZMSEOMPPQDBJX-UHFFFAOYSA-N 1 0 314.433 3.294 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)C(C)C)CC1 ZINC000171912266 198006893 /nfs/dbraw/zinc/00/68/93/198006893.db2.gz PTRFTMZLHSWKDN-HNNXBMFYSA-N 1 0 303.450 3.059 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)CC2 ZINC000171981289 198020383 /nfs/dbraw/zinc/02/03/83/198020383.db2.gz FQJYNPUGDKKBHN-WCQYABFASA-N 1 0 320.387 3.345 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccccc3OC(F)F)C2)cn1 ZINC000172057980 198032426 /nfs/dbraw/zinc/03/24/26/198032426.db2.gz WTKGEAFGQCRPNY-GFCCVEGCSA-N 1 0 307.344 3.011 10 0 DGAERO CC(C)CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1CC1 ZINC000172160003 198049142 /nfs/dbraw/zinc/04/91/42/198049142.db2.gz ITTRNWBQBYTFKV-UHFFFAOYSA-N 1 0 321.440 3.217 10 0 DGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000182038002 199378560 /nfs/dbraw/zinc/37/85/60/199378560.db2.gz GOMJSKSIXODFHE-INIZCTEOSA-N 1 0 310.445 3.232 10 0 DGAERO Cc1[nH+]ccc(NCc2ccc(Cl)o2)c1Br ZINC000381366070 323615107 /nfs/dbraw/zinc/61/51/07/323615107.db2.gz GXCWQRKKFFNQFI-UHFFFAOYSA-N 1 0 301.571 3.433 10 0 DGAERO Cc1ncsc1CC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000172533463 198111177 /nfs/dbraw/zinc/11/11/77/198111177.db2.gz DMJBFUNGVHCFIQ-BBRMVZONSA-N 1 0 302.443 3.456 10 0 DGAERO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000172549095 198113385 /nfs/dbraw/zinc/11/33/85/198113385.db2.gz UOOIWDKUWTYWQT-ZBFHGGJFSA-N 1 0 310.445 3.379 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ncsc3c2)[C@H](C)C1 ZINC000172609176 198123635 /nfs/dbraw/zinc/12/36/35/198123635.db2.gz RNUNUBFTLQDOLW-IUODEOHRSA-N 1 0 317.458 3.099 10 0 DGAERO C[C@H]1C[N@H+](CCc2cccnc2)C[C@H](c2ccc(F)cc2)O1 ZINC000172901473 198165496 /nfs/dbraw/zinc/16/54/96/198165496.db2.gz USFLBTZCTZJNLK-KBXCAEBGSA-N 1 0 300.377 3.225 10 0 DGAERO CC(C)(C)NC(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000072824849 191234962 /nfs/dbraw/zinc/23/49/62/191234962.db2.gz OMCGHJLTNGTLGV-SFHVURJKSA-N 1 0 310.441 3.475 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1Cc2ccccc2O1 ZINC000072843969 191237795 /nfs/dbraw/zinc/23/77/95/191237795.db2.gz HMSUYXKFDHNEQQ-LJQANCHMSA-N 1 0 322.408 3.225 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000072858288 191240681 /nfs/dbraw/zinc/24/06/81/191240681.db2.gz KNOWPSUYLNNKEZ-MRXNPFEDSA-N 1 0 317.477 3.022 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)c(F)cc2F)CC[N@@H+]1C ZINC000173089321 198184076 /nfs/dbraw/zinc/18/40/76/198184076.db2.gz SWWLKCGQPAIGQQ-UWVGGRQHSA-N 1 0 315.339 3.050 10 0 DGAERO CNC(=O)c1cccc(C[N@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000072957196 191256805 /nfs/dbraw/zinc/25/68/05/191256805.db2.gz BCKXWIISLYJJDE-UHFFFAOYSA-N 1 0 302.805 3.332 10 0 DGAERO O[C@@H](C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1cccc(Cl)c1 ZINC000173399269 198211365 /nfs/dbraw/zinc/21/13/65/198211365.db2.gz LBPBDKMMTNJDKD-CVEARBPZSA-N 1 0 305.809 3.324 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(C)s1 ZINC000173872281 198263060 /nfs/dbraw/zinc/26/30/60/198263060.db2.gz JNOIOLNPAUIJNN-ZFWWWQNUSA-N 1 0 319.474 3.082 10 0 DGAERO CCn1c(C)nnc1CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000173924792 198270067 /nfs/dbraw/zinc/27/00/67/198270067.db2.gz GBJWIGPNMXIHNI-MLGOLLRUSA-N 1 0 302.397 3.329 10 0 DGAERO CC(C)[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Cl)cc1F ZINC000182089306 199385501 /nfs/dbraw/zinc/38/55/01/199385501.db2.gz PIZZADASSYUISK-LRDDRELGSA-N 1 0 312.816 3.387 10 0 DGAERO C/C(=C\C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000174231287 198308969 /nfs/dbraw/zinc/30/89/69/198308969.db2.gz OBIKCRWXVCVJPN-CQUPJYAZSA-N 1 0 316.420 3.361 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCC(C)(C)C2)C1 ZINC000131087469 432032926 /nfs/dbraw/zinc/03/29/26/432032926.db2.gz PLCYKAWBZACPNM-INIZCTEOSA-N 1 0 309.498 3.186 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000174362484 198324202 /nfs/dbraw/zinc/32/42/02/198324202.db2.gz YWTCULCGLKLSST-CXAGYDPISA-N 1 0 317.433 3.083 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000174377544 198327593 /nfs/dbraw/zinc/32/75/93/198327593.db2.gz GOCPEETVTKBOOS-ROUUACIJSA-N 1 0 312.413 3.178 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000174393844 198330113 /nfs/dbraw/zinc/33/01/13/198330113.db2.gz YEHVDHIJIJQYKH-PWSUYJOCSA-N 1 0 313.804 3.426 10 0 DGAERO Cc1cc(C)c(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000174431534 198333900 /nfs/dbraw/zinc/33/39/00/198333900.db2.gz IXKJKPAARSNINU-SJORKVTESA-N 1 0 317.477 3.236 10 0 DGAERO O=C(CCCc1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107525246 432033409 /nfs/dbraw/zinc/03/34/09/432033409.db2.gz NTWYYKYJLIFVPG-IBGZPJMESA-N 1 0 314.473 3.486 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000182145018 199392724 /nfs/dbraw/zinc/39/27/24/199392724.db2.gz AOTXSWLPWCISPJ-SCTDSRPQSA-N 1 0 316.489 3.362 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000107541498 432033976 /nfs/dbraw/zinc/03/39/76/432033976.db2.gz QBYCDCAPSBZUDU-GOSISDBHSA-N 1 0 307.397 3.201 10 0 DGAERO O=C(c1cccc2ncccc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107531141 432034196 /nfs/dbraw/zinc/03/41/96/432034196.db2.gz MVWQJDDTUHFGNW-INIZCTEOSA-N 1 0 323.440 3.325 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000174788879 198385678 /nfs/dbraw/zinc/38/56/78/198385678.db2.gz WYGVNDMPDCNIPN-RYRKJORJSA-N 1 0 317.477 3.489 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179063826 432036899 /nfs/dbraw/zinc/03/68/99/432036899.db2.gz GZONDLAXGODNSM-WBMJQRKESA-N 1 0 314.360 3.157 10 0 DGAERO c1cnn(-c2ccc(CN3CCCC[C@H]([NH+]4CCCC4)C3)cc2)c1 ZINC000107697466 432037248 /nfs/dbraw/zinc/03/72/48/432037248.db2.gz DGIVRKZNYYYNGW-FQEVSTJZSA-N 1 0 324.472 3.323 10 0 DGAERO CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000248041854 283008600 /nfs/dbraw/zinc/00/86/00/283008600.db2.gz MDRLUARTXYQZKH-SJORKVTESA-N 1 0 301.434 3.016 10 0 DGAERO Fc1ccc2oc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000246267322 283012118 /nfs/dbraw/zinc/01/21/18/283012118.db2.gz GYRUTZPSDHBMIQ-BLLLJJGKSA-N 1 0 315.392 3.420 10 0 DGAERO COc1cccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107723690 432038869 /nfs/dbraw/zinc/03/88/69/432038869.db2.gz OWLNKACJZMNIPI-MRXNPFEDSA-N 1 0 317.433 3.177 10 0 DGAERO Cc1cccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107723605 432039418 /nfs/dbraw/zinc/03/94/18/432039418.db2.gz UMWMFJUJJAGHPA-KRWDZBQOSA-N 1 0 301.434 3.477 10 0 DGAERO CCCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C)C1CC[NH2+]CC1 ZINC000236815330 283025190 /nfs/dbraw/zinc/02/51/90/283025190.db2.gz RHQRXEFCXHJKKS-QZTJIDSGSA-N 1 0 300.446 3.089 10 0 DGAERO O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107723812 432039934 /nfs/dbraw/zinc/03/99/34/432039934.db2.gz WWOUSEDYHNFTSQ-AWEZNQCLSA-N 1 0 323.387 3.447 10 0 DGAERO COC[C@H](C)C[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000131910140 432041031 /nfs/dbraw/zinc/04/10/31/432041031.db2.gz LPOPEHYXLIJRQT-LLVKDONJSA-N 1 0 303.349 3.011 10 0 DGAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2occc21 ZINC000725242701 563525674 /nfs/dbraw/zinc/52/56/74/563525674.db2.gz LMQBRFBPMFQSAS-PBHICJAKSA-N 1 0 308.422 3.190 10 0 DGAERO Cc1nc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)s1 ZINC000179127427 432043703 /nfs/dbraw/zinc/04/37/03/432043703.db2.gz LGJYSAVZIABNQI-STQMWFEESA-N 1 0 323.506 3.248 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)c(SC)c1 ZINC000164252264 432045624 /nfs/dbraw/zinc/04/56/24/432045624.db2.gz MPNWCEABOGSZBT-ZIAGYGMSSA-N 1 0 322.449 3.246 10 0 DGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C1CCC1 ZINC000073542084 191326784 /nfs/dbraw/zinc/32/67/84/191326784.db2.gz VJIXTDUMENETAX-UHFFFAOYSA-N 1 0 303.450 3.222 10 0 DGAERO CCc1nc(-c2cccc(F)c2)nc(NC2CC[NH2+]CC2)c1C ZINC000073662908 191338838 /nfs/dbraw/zinc/33/88/38/191338838.db2.gz FLQIQSKAAZEEPI-UHFFFAOYSA-N 1 0 314.408 3.317 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000132169204 432045810 /nfs/dbraw/zinc/04/58/10/432045810.db2.gz NETVQZCDGVGCHL-CJNGLKHVSA-N 1 0 323.868 3.210 10 0 DGAERO Cc1cc(NCCC[NH+](C)C)n2nc(-c3cccs3)cc2n1 ZINC000004980294 181183672 /nfs/dbraw/zinc/18/36/72/181183672.db2.gz QRSJZUGPUITFRC-UHFFFAOYSA-N 1 0 315.446 3.130 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000246752600 283098582 /nfs/dbraw/zinc/09/85/82/283098582.db2.gz PRWUVHFRKPALQJ-ZJPYXAASSA-N 1 0 304.478 3.146 10 0 DGAERO CSc1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000164531688 432048280 /nfs/dbraw/zinc/04/82/80/432048280.db2.gz ZIBYLBKCXMNOMI-JSGCOSHPSA-N 1 0 307.463 3.259 10 0 DGAERO CCc1cccc(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000132480757 432050271 /nfs/dbraw/zinc/05/02/71/432050271.db2.gz UTLMHWNMIGCVER-IBGZPJMESA-N 1 0 310.441 3.211 10 0 DGAERO COCc1cccc(C[NH+]2CCC(Cc3nccn3C)CC2)c1 ZINC000179213822 432051038 /nfs/dbraw/zinc/05/10/38/432051038.db2.gz ZWPWNWBBKQURRZ-UHFFFAOYSA-N 1 0 313.445 3.021 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2CCC3(CCC3)C2)[C@@H]1c1ccccc1 ZINC000179270915 432052093 /nfs/dbraw/zinc/05/20/93/432052093.db2.gz WSOAGSLYHXSCGG-IRXDYDNUSA-N 1 0 313.445 3.017 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc(Cl)c2F)[C@@H](C)C1 ZINC000164908968 432052808 /nfs/dbraw/zinc/05/28/08/432052808.db2.gz CBEQGSMYFFEBDL-GWCFXTLKSA-N 1 0 313.804 3.329 10 0 DGAERO Cc1ccc(CCCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000080716293 192185129 /nfs/dbraw/zinc/18/51/29/192185129.db2.gz LATQVRJCKHSKFU-YQQQUEKLSA-N 1 0 314.473 3.449 10 0 DGAERO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nc1 ZINC000184247458 199692841 /nfs/dbraw/zinc/69/28/41/199692841.db2.gz OFJYGHFVNKCZSS-UHFFFAOYSA-N 1 0 324.428 3.308 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000133035035 432057130 /nfs/dbraw/zinc/05/71/30/432057130.db2.gz PGKIJZMNCQRUSB-YJBOKZPZSA-N 1 0 312.461 3.316 10 0 DGAERO CCOC[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000081519380 192279534 /nfs/dbraw/zinc/27/95/34/192279534.db2.gz SJIZUBDKFGEOCX-CYBMUJFWSA-N 1 0 304.365 3.339 10 0 DGAERO CCOC[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000081519001 192280083 /nfs/dbraw/zinc/28/00/83/192280083.db2.gz AWDIICWVIXFZAY-CQSZACIVSA-N 1 0 316.401 3.209 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]CC2(O)CCOCC2)cc1 ZINC000165970115 432058103 /nfs/dbraw/zinc/05/81/03/432058103.db2.gz DVIZBNOTHABEIK-MRXNPFEDSA-N 1 0 321.461 3.304 10 0 DGAERO CCC([NH3+])(CC)CNC(=O)c1sc(C2CCCC2)nc1C ZINC000236844182 202035689 /nfs/dbraw/zinc/03/56/89/202035689.db2.gz LPFYTUNUPVKBBV-UHFFFAOYSA-N 1 0 309.479 3.356 10 0 DGAERO C[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)C(C)(C)C[NH+](C)C ZINC000081731840 192318067 /nfs/dbraw/zinc/31/80/67/192318067.db2.gz YSLWCQZKJJQDJZ-GJZGRUSLSA-N 1 0 318.461 3.035 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000236919672 202072751 /nfs/dbraw/zinc/07/27/51/202072751.db2.gz YLYLTQFNVFTOJJ-QPUJVOFHSA-N 1 0 309.460 3.492 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1cc(OC)ccc1OC ZINC000237089510 202150399 /nfs/dbraw/zinc/15/03/99/202150399.db2.gz CURJCKWIGPQZSY-UHFFFAOYSA-N 1 0 314.385 3.066 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc2cnn(C(C)C)c2c1)[NH+](C)C ZINC000179507920 432061365 /nfs/dbraw/zinc/06/13/65/432061365.db2.gz KNQWFFFALRRLMP-HNNXBMFYSA-N 1 0 302.422 3.286 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000237161017 202171765 /nfs/dbraw/zinc/17/17/65/202171765.db2.gz MNWDMDYKKZMJOY-UHFFFAOYSA-N 1 0 306.793 3.219 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000469277316 283220187 /nfs/dbraw/zinc/22/01/87/283220187.db2.gz FFYNZVMJHLAVDZ-KRWDZBQOSA-N 1 0 319.493 3.472 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c(C)c1 ZINC000166589872 432062051 /nfs/dbraw/zinc/06/20/51/432062051.db2.gz OCGOOIXDSVIVSV-DLBZAZTESA-N 1 0 312.461 3.357 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(-c2cccnc2)n1 ZINC000179620740 432064332 /nfs/dbraw/zinc/06/43/32/432064332.db2.gz HUMXYCXDXWRBIR-CQSZACIVSA-N 1 0 324.350 3.256 10 0 DGAERO CN(C(=O)CCc1ccc(Cl)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237205293 202189197 /nfs/dbraw/zinc/18/91/97/202189197.db2.gz BXLDMSKQPNXQNC-FOSCPWQOSA-N 1 0 312.866 3.076 10 0 DGAERO CCC[C@@H](C)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000179674403 432067033 /nfs/dbraw/zinc/06/70/33/432067033.db2.gz OJGVYWHVHHIKJX-OAHLLOKOSA-N 1 0 306.425 3.410 10 0 DGAERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccoc1 ZINC000179741926 432068915 /nfs/dbraw/zinc/06/89/15/432068915.db2.gz DXZQZWQRCFCDKW-ZDUSSCGKSA-N 1 0 301.390 3.321 10 0 DGAERO c1cncc(-c2cccc(C[N@@H+]3CCCN(C4CC4)CC3)c2)c1 ZINC000179729971 432069105 /nfs/dbraw/zinc/06/91/05/432069105.db2.gz QLDOIKKLDYLZDG-UHFFFAOYSA-N 1 0 307.441 3.419 10 0 DGAERO Cc1cccc(-c2n[nH]cc2CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000179730507 432069205 /nfs/dbraw/zinc/06/92/05/432069205.db2.gz FUJJTHGUVCCFCL-UHFFFAOYSA-N 1 0 310.445 3.055 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc2c(c1)CCO2 ZINC000178562391 198888791 /nfs/dbraw/zinc/88/87/91/198888791.db2.gz GPIKVLIGDUANRA-SFHVURJKSA-N 1 0 315.388 3.494 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178681227 198910505 /nfs/dbraw/zinc/91/05/05/198910505.db2.gz FALZYFBYVGOYLI-NVAPDCRFSA-N 1 0 310.507 3.051 10 0 DGAERO CC[N@@H+]1CC[C@H](Nc2ccc3c(c2)CCCC(=O)N3)[C@H](C)C1 ZINC000179812635 432071786 /nfs/dbraw/zinc/07/17/86/432071786.db2.gz PTCHMXQPIBWJRB-CJNGLKHVSA-N 1 0 301.434 3.104 10 0 DGAERO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1ccc2c(c1)CCCC(=O)N2 ZINC000179815173 432071939 /nfs/dbraw/zinc/07/19/39/432071939.db2.gz MISKDAGIBAOFRL-IIYDPXPESA-N 1 0 301.434 3.102 10 0 DGAERO Cc1nc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(C)s1 ZINC000179124300 198987526 /nfs/dbraw/zinc/98/75/26/198987526.db2.gz WSYUPDBUIJTXCS-GFCCVEGCSA-N 1 0 309.479 3.144 10 0 DGAERO Cc1cc([C@@H]2CN(Cc3cnn(C(C)C)c3)CCO2)ccc1F ZINC000179880754 432072732 /nfs/dbraw/zinc/07/27/32/432072732.db2.gz OSVHMCGKKDSAMN-SFHVURJKSA-N 1 0 317.408 3.485 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000134084366 432073674 /nfs/dbraw/zinc/07/36/74/432073674.db2.gz RGKGRKSTPNLWME-DLBZAZTESA-N 1 0 317.477 3.333 10 0 DGAERO CCC[C@H](C)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000179618507 199064670 /nfs/dbraw/zinc/06/46/70/199064670.db2.gz UWDSMWVGBLDQIP-AWEZNQCLSA-N 1 0 304.434 3.479 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C2(Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000132043809 291124538 /nfs/dbraw/zinc/12/45/38/291124538.db2.gz HMHCOHGRLAXOIE-FUHWJXTLSA-N 1 0 314.473 3.341 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccncc2)CC1 ZINC000179777281 199078855 /nfs/dbraw/zinc/07/88/55/199078855.db2.gz BCWQOOKJQRMPDV-INIZCTEOSA-N 1 0 310.445 3.397 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2nccs2)CC1 ZINC000179775339 199079452 /nfs/dbraw/zinc/07/94/52/199079452.db2.gz SFKQQIFJHDMPKW-CQSZACIVSA-N 1 0 316.474 3.458 10 0 DGAERO CC(C)c1ccc(NC(=O)C[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000179844118 199087191 /nfs/dbraw/zinc/08/71/91/199087191.db2.gz FAXYOEVQQZUEOO-CQSZACIVSA-N 1 0 304.434 3.153 10 0 DGAERO O=C(NCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)c1ccco1 ZINC000179988715 199103330 /nfs/dbraw/zinc/10/33/30/199103330.db2.gz JLLOHKNBPGLIRK-INIZCTEOSA-N 1 0 318.804 3.404 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3C)C2)no1 ZINC000180048792 199112090 /nfs/dbraw/zinc/11/20/90/199112090.db2.gz OTVYOGHVJRZUPH-AWEZNQCLSA-N 1 0 303.381 3.280 10 0 DGAERO C[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C[C@@H]1CCCO1 ZINC000179917725 432074564 /nfs/dbraw/zinc/07/45/64/432074564.db2.gz AHVLREUSNRBAFD-INIZCTEOSA-N 1 0 305.418 3.253 10 0 DGAERO CCn1cnnc1C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000180078528 199114766 /nfs/dbraw/zinc/11/47/66/199114766.db2.gz ZRZNXEQECWNIKX-UHFFFAOYSA-N 1 0 302.397 3.125 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000180190537 199128235 /nfs/dbraw/zinc/12/82/35/199128235.db2.gz KLHHKTWKUFMLDL-CVEARBPZSA-N 1 0 321.852 3.185 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@@H]1CCCO1 ZINC000180456982 199161247 /nfs/dbraw/zinc/16/12/47/199161247.db2.gz CPVMLZWOPSBPEJ-WFASDCNBSA-N 1 0 308.447 3.117 10 0 DGAERO Cc1csc(C2CC[NH+](Cc3cccc4nccn43)CC2)n1 ZINC000179962011 432075240 /nfs/dbraw/zinc/07/52/40/432075240.db2.gz HHSXJCIHYKHBDM-UHFFFAOYSA-N 1 0 312.442 3.479 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(SC(F)F)cc1 ZINC000180597349 199182158 /nfs/dbraw/zinc/18/21/58/199182158.db2.gz ZGIVQNBNNRCQPT-CMPLNLGQSA-N 1 0 324.400 3.258 10 0 DGAERO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000180015798 432076737 /nfs/dbraw/zinc/07/67/37/432076737.db2.gz XATIZIOQIKVARM-YOEHRIQHSA-N 1 0 310.445 3.011 10 0 DGAERO C[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)CCS1 ZINC000134344292 432076927 /nfs/dbraw/zinc/07/69/27/432076927.db2.gz NRAZCRGKZZFGIX-LLVKDONJSA-N 1 0 316.264 3.265 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)NC(C)(C)CC)CC1 ZINC000170698606 432077646 /nfs/dbraw/zinc/07/76/46/432077646.db2.gz OYTNHHMWLSCAFL-UHFFFAOYSA-N 1 0 318.465 3.139 10 0 DGAERO CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(OC)cc1 ZINC000181180339 199261227 /nfs/dbraw/zinc/26/12/27/199261227.db2.gz RMRJDIAULWYFBB-FUHWJXTLSA-N 1 0 318.461 3.132 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1nc2ccc(Cl)cc2n1C ZINC000180130170 432079363 /nfs/dbraw/zinc/07/93/63/432079363.db2.gz WGTFDEIWAYRYIZ-MKBNYLNASA-N 1 0 321.852 3.428 10 0 DGAERO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000170763048 432079546 /nfs/dbraw/zinc/07/95/46/432079546.db2.gz KAJBUHRESLYSAI-NSISKUIASA-N 1 0 311.425 3.052 10 0 DGAERO Cc1scc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000180151653 432080262 /nfs/dbraw/zinc/08/02/62/432080262.db2.gz VHSBHCMOPLJOKH-UHFFFAOYSA-N 1 0 306.475 3.313 10 0 DGAERO C[C@](O)(C[N@@H+]1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000170778567 432080615 /nfs/dbraw/zinc/08/06/15/432080615.db2.gz UHWQZKROAFMZKY-YOEHRIQHSA-N 1 0 302.443 3.230 10 0 DGAERO C[C@@](O)(C[NH+]1CCC(OC2CCCC2)CC1)c1ccccc1 ZINC000170777497 432080538 /nfs/dbraw/zinc/08/05/38/432080538.db2.gz PAMFTUHCURIEHL-LJQANCHMSA-N 1 0 303.446 3.318 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000186226543 199931625 /nfs/dbraw/zinc/93/16/25/199931625.db2.gz ZJNRKHKMIMZXDI-QMMMGPOBSA-N 1 0 319.352 3.360 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc(N2CCCC2=O)c1 ZINC000180252940 432081935 /nfs/dbraw/zinc/08/19/35/432081935.db2.gz VOQLRHURDXSNRH-YJBOKZPZSA-N 1 0 316.445 3.423 10 0 DGAERO Cc1cccc2c(NCCCCCS(C)(=O)=O)c(C)c[nH+]c12 ZINC000186413407 199954125 /nfs/dbraw/zinc/95/41/25/199954125.db2.gz VHTHIBMZPICRJI-UHFFFAOYSA-N 1 0 320.458 3.478 10 0 DGAERO Cc1noc(CC[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)n1 ZINC000089517941 192808126 /nfs/dbraw/zinc/80/81/26/192808126.db2.gz PYPWISZWUGPMJY-AWEZNQCLSA-N 1 0 321.808 3.386 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CCN1C ZINC000186830663 200018039 /nfs/dbraw/zinc/01/80/39/200018039.db2.gz FVRMYQRMFFCRSK-RHSMWYFYSA-N 1 0 318.461 3.246 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CCN1C ZINC000186830702 200018094 /nfs/dbraw/zinc/01/80/94/200018094.db2.gz FVRMYQRMFFCRSK-PBHICJAKSA-N 1 0 318.461 3.246 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000186756046 200005686 /nfs/dbraw/zinc/00/56/86/200005686.db2.gz QCTSQGPWLHBWMO-PBHICJAKSA-N 1 0 318.436 3.142 10 0 DGAERO CC(C)c1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c2ccccc2n1 ZINC000186765474 200006438 /nfs/dbraw/zinc/00/64/38/200006438.db2.gz JKYNGZQTKWMIAH-UGSOOPFHSA-N 1 0 311.429 3.086 10 0 DGAERO Cc1ccc2nc(C3CC3)cc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)c2c1 ZINC000186858829 200023761 /nfs/dbraw/zinc/02/37/61/200023761.db2.gz ICCCVHKBRGQAOA-DJJJIMSYSA-N 1 0 323.440 3.148 10 0 DGAERO CC(F)(F)c1cccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000187028875 200050099 /nfs/dbraw/zinc/05/00/99/200050099.db2.gz FLGAXSJQVICAAM-HNNXBMFYSA-N 1 0 321.371 3.276 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187041705 200051715 /nfs/dbraw/zinc/05/17/15/200051715.db2.gz JVCJYISYXTTYFY-DOMZBBRYSA-N 1 0 324.494 3.028 10 0 DGAERO CN1c2ccc(C[NH2+][C@H]3CCOc4ccccc43)cc2CCC1=O ZINC000187098037 200061132 /nfs/dbraw/zinc/06/11/32/200061132.db2.gz HCCHDHIPXLMTDT-KRWDZBQOSA-N 1 0 322.408 3.209 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000187106401 200062211 /nfs/dbraw/zinc/06/22/11/200062211.db2.gz GJRKJBKZSRFPIE-OAHLLOKOSA-N 1 0 324.494 3.030 10 0 DGAERO COCC[N@@H+]1CCN(C[C@@H](C)c2cccc(Cl)c2)C[C@H]1C ZINC000187210900 200077687 /nfs/dbraw/zinc/07/76/87/200077687.db2.gz ZTEMBMZEQYUVBZ-HUUCEWRRSA-N 1 0 310.869 3.096 10 0 DGAERO [NH3+]Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)co1 ZINC000187254888 200084086 /nfs/dbraw/zinc/08/40/86/200084086.db2.gz JMPJDMRXNFZCGH-OAHLLOKOSA-N 1 0 304.777 3.273 10 0 DGAERO CC(C)Cc1ncc(C[NH+]2CCC(CC(=O)N(C)C)CC2)s1 ZINC000180329934 432084511 /nfs/dbraw/zinc/08/45/11/432084511.db2.gz YOLYEXDAZASSLO-UHFFFAOYSA-N 1 0 323.506 3.032 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000170858246 432084751 /nfs/dbraw/zinc/08/47/51/432084751.db2.gz UTIROMUZQBPKJQ-HNNXBMFYSA-N 1 0 310.397 3.255 10 0 DGAERO Cc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c(C)n1 ZINC000187516101 200122494 /nfs/dbraw/zinc/12/24/94/200122494.db2.gz LFCQSWZKHDSOIP-CQSZACIVSA-N 1 0 304.438 3.084 10 0 DGAERO CC[C@H]1[C@H](C)CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000187967044 200183969 /nfs/dbraw/zinc/18/39/69/200183969.db2.gz WSIXPYHVJWGKFU-DYVFJYSZSA-N 1 0 321.440 3.217 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000237523657 202270083 /nfs/dbraw/zinc/27/00/83/202270083.db2.gz NZHULEOIJFPMRQ-DOPJRALCSA-N 1 0 300.446 3.260 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]CCCCCOc1ccccc1 ZINC000188095557 200193448 /nfs/dbraw/zinc/19/34/48/200193448.db2.gz WGOOFZVOWAEGGB-QGZVFWFLSA-N 1 0 314.433 3.260 10 0 DGAERO Cc1cc(Cl)ccc1OCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237613325 202304098 /nfs/dbraw/zinc/30/40/98/202304098.db2.gz QQLNSZUDJMELIS-DZGCQCFKSA-N 1 0 324.852 3.051 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC[C@H]1C ZINC000188304213 200224070 /nfs/dbraw/zinc/22/40/70/200224070.db2.gz DIJUMHWJTPJOFC-ABAIWWIYSA-N 1 0 321.371 3.212 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1C ZINC000188306570 200225502 /nfs/dbraw/zinc/22/55/02/200225502.db2.gz APSIYVMPCBTSFC-LRDDRELGSA-N 1 0 303.381 3.073 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H](C)Cc2ccc(Br)cc2)c1 ZINC000188254743 200217308 /nfs/dbraw/zinc/21/73/08/200217308.db2.gz MWEAJJRHWONXBY-ZDUSSCGKSA-N 1 0 322.250 3.175 10 0 DGAERO Cc1cnn(CC[NH2+][C@H](C)Cc2ccc(Br)cc2)c1 ZINC000188254767 200217617 /nfs/dbraw/zinc/21/76/17/200217617.db2.gz MWEAJJRHWONXBY-CYBMUJFWSA-N 1 0 322.250 3.175 10 0 DGAERO C[C@H](Cc1ccccc1F)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000188259148 200218045 /nfs/dbraw/zinc/21/80/45/200218045.db2.gz HCFOBSKXWJOYGE-SNVBAGLBSA-N 1 0 315.314 3.299 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCCSC ZINC000134779978 432085989 /nfs/dbraw/zinc/08/59/89/432085989.db2.gz QQTUGEKDEKWICT-UHFFFAOYSA-N 1 0 308.491 3.240 10 0 DGAERO Cc1ccccc1C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237702296 202332066 /nfs/dbraw/zinc/33/20/66/202332066.db2.gz SLHROXUWIUDUIJ-NJAFHUGGSA-N 1 0 312.457 3.064 10 0 DGAERO Cc1nnc([C@@H](C)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)o1 ZINC000134829027 432086954 /nfs/dbraw/zinc/08/69/54/432086954.db2.gz ZIUAUKWYASVPFS-IAQYHMDHSA-N 1 0 317.364 3.316 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000188949843 200326106 /nfs/dbraw/zinc/32/61/06/200326106.db2.gz BZWAZUQTKCWIMA-MRXNPFEDSA-N 1 0 323.868 3.311 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000238013077 202419370 /nfs/dbraw/zinc/41/93/70/202419370.db2.gz IATAMXICUATYMF-PBHICJAKSA-N 1 0 318.436 3.271 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000189324655 200381799 /nfs/dbraw/zinc/38/17/99/200381799.db2.gz MTKMWENJELSMQW-SNPRPXQTSA-N 1 0 313.388 3.360 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CCc3cc(F)ccc31)CC2 ZINC000180533429 432088955 /nfs/dbraw/zinc/08/89/55/432088955.db2.gz HJFFULDIKCSFDF-GOEBONIOSA-N 1 0 314.408 3.133 10 0 DGAERO Cc1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1Cl ZINC000246061322 432091773 /nfs/dbraw/zinc/09/17/73/432091773.db2.gz AZDPJXMHDXLMBS-OLZOCXBDSA-N 1 0 307.825 3.349 10 0 DGAERO CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180581295 432091824 /nfs/dbraw/zinc/09/18/24/432091824.db2.gz HQDJEBWDNBKOFM-CHWSQXEVSA-N 1 0 302.447 3.056 10 0 DGAERO c1onc(Cc2ccccc2)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449679224 240364600 /nfs/dbraw/zinc/36/46/00/240364600.db2.gz HGTZWLOCDMCGCN-LJQANCHMSA-N 1 0 312.413 3.268 10 0 DGAERO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000246089871 432092386 /nfs/dbraw/zinc/09/23/86/432092386.db2.gz MXIRPYHUIRIGPN-VQFNDLOPSA-N 1 0 321.509 3.329 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC(C)(C)Cc3occc31)CC2 ZINC000180627542 432092428 /nfs/dbraw/zinc/09/24/28/432092428.db2.gz GYYGVPIDGWTOHQ-GXTWGEPZSA-N 1 0 314.433 3.052 10 0 DGAERO COc1c(C)cc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1C ZINC000246091256 432092933 /nfs/dbraw/zinc/09/29/33/432092933.db2.gz IOZIWLOQTHSVSZ-OKZBNKHCSA-N 1 0 319.445 3.080 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)c(C)cc1C)CC2 ZINC000180619412 432093783 /nfs/dbraw/zinc/09/37/83/432093783.db2.gz IRPNMOLBWNDWSE-JKSUJKDBSA-N 1 0 312.461 3.431 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000180634356 432093820 /nfs/dbraw/zinc/09/38/20/432093820.db2.gz QYQSKXAWXXZTKJ-KBPBESRZSA-N 1 0 314.433 3.076 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1cc(F)ccc1F)CC2 ZINC000180615952 432093842 /nfs/dbraw/zinc/09/38/42/432093842.db2.gz IPWKRELIUXVLDN-SWLSCSKDSA-N 1 0 320.387 3.174 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)o1 ZINC000246106180 432094723 /nfs/dbraw/zinc/09/47/23/432094723.db2.gz HNVVRYCXSZJLRE-WHOFXGATSA-N 1 0 307.438 3.082 10 0 DGAERO CC(C)COC1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000134999179 432094710 /nfs/dbraw/zinc/09/47/10/432094710.db2.gz VRWXMDCNQUMMKX-UHFFFAOYSA-N 1 0 318.461 3.177 10 0 DGAERO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ncccc2C)C1 ZINC000180655535 432095053 /nfs/dbraw/zinc/09/50/53/432095053.db2.gz LDVVDDZSFSXXKW-ROUUACIJSA-N 1 0 324.424 3.169 10 0 DGAERO C[C@@H](CC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1F ZINC000246103520 432094902 /nfs/dbraw/zinc/09/49/02/432094902.db2.gz MWHPOMRPTZMQNI-KBPBESRZSA-N 1 0 324.415 3.449 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000180651556 432095462 /nfs/dbraw/zinc/09/54/62/432095462.db2.gz VVLVXHXGBAPTBY-DZGCQCFKSA-N 1 0 314.433 3.076 10 0 DGAERO C[C@H]([NH3+])CCC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000193193678 201005947 /nfs/dbraw/zinc/00/59/47/201005947.db2.gz KVOFQQIGNJNJMT-YUMQZZPRSA-N 1 0 307.196 3.437 10 0 DGAERO Cc1cccc(C2(CNC(=O)CC[C@H](C)[NH3+])CCCCC2)c1 ZINC000193204009 201006705 /nfs/dbraw/zinc/00/67/05/201006705.db2.gz PILGEPWMCCVTHI-INIZCTEOSA-N 1 0 302.462 3.441 10 0 DGAERO Cc1cccc(C2(CNC(=O)CC[C@@H](C)[NH3+])CCCCC2)c1 ZINC000193203995 201007506 /nfs/dbraw/zinc/00/75/06/201007506.db2.gz PILGEPWMCCVTHI-MRXNPFEDSA-N 1 0 302.462 3.441 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000193177703 201003736 /nfs/dbraw/zinc/00/37/36/201003736.db2.gz CZCPBTKHQBLFJI-LLVKDONJSA-N 1 0 315.442 3.365 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000193290639 201021319 /nfs/dbraw/zinc/02/13/19/201021319.db2.gz MDOLTTLFOGEYRY-GFCCVEGCSA-N 1 0 309.841 3.396 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)o1 ZINC000193602091 201084150 /nfs/dbraw/zinc/08/41/50/201084150.db2.gz ZXPDJKYCQOJEGY-CJNGLKHVSA-N 1 0 323.820 3.470 10 0 DGAERO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246118814 432096844 /nfs/dbraw/zinc/09/68/44/432096844.db2.gz AIMZDTNNOHIVCI-OXJNMPFZSA-N 1 0 310.441 3.307 10 0 DGAERO Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000281481297 216330725 /nfs/dbraw/zinc/33/07/25/216330725.db2.gz VLOALYSNHYXGRW-ZWKOTPCHSA-N 1 0 314.433 3.177 10 0 DGAERO C[C@H](CNC(=O)Nc1ccc2cc[nH]c2c1)[NH+]1CCC(C)CC1 ZINC000194347526 201207493 /nfs/dbraw/zinc/20/74/93/201207493.db2.gz YSONUSAUBSRHMY-CQSZACIVSA-N 1 0 314.433 3.410 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441290572 239030247 /nfs/dbraw/zinc/03/02/47/239030247.db2.gz YPUUAULRTCZYAA-VQTJNVASSA-N 1 0 317.473 3.384 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000195183927 201355231 /nfs/dbraw/zinc/35/52/31/201355231.db2.gz QWADDVDYVNSMES-KDOFPFPSSA-N 1 0 319.449 3.379 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000195183952 201355541 /nfs/dbraw/zinc/35/55/41/201355541.db2.gz QWADDVDYVNSMES-RDTXWAMCSA-N 1 0 319.449 3.379 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000195293648 201376041 /nfs/dbraw/zinc/37/60/41/201376041.db2.gz QDIGEGRCPXYAPR-UHFFFAOYSA-N 1 0 306.837 3.173 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000068894658 283722479 /nfs/dbraw/zinc/72/24/79/283722479.db2.gz FIJNJUODMXSVCK-PBHICJAKSA-N 1 0 308.441 3.097 10 0 DGAERO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCCC23CCC3)c(C)c1 ZINC000444787140 239354485 /nfs/dbraw/zinc/35/44/85/239354485.db2.gz WZXMVRZFGQISJJ-UHFFFAOYSA-N 1 0 314.473 3.289 10 0 DGAERO C[C@H]1CN(CCC[NH+]2CCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245597963 202532658 /nfs/dbraw/zinc/53/26/58/202532658.db2.gz HYSQJYFWLXXNKP-YJBOKZPZSA-N 1 0 306.425 3.073 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(Cc2ccccc2)CC1 ZINC000246153097 432101268 /nfs/dbraw/zinc/10/12/68/432101268.db2.gz PJZUILZSHZHYBY-MSOLQXFVSA-N 1 0 312.457 3.095 10 0 DGAERO CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@]1(CCO)CCOC1 ZINC000180776104 432101339 /nfs/dbraw/zinc/10/13/39/432101339.db2.gz IMALZCIPESKWRU-ROUUACIJSA-N 1 0 323.502 3.182 10 0 DGAERO COc1ccccc1[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000246716770 202612577 /nfs/dbraw/zinc/61/25/77/202612577.db2.gz XHVPFWUMDBKSLQ-GPMSIDNRSA-N 1 0 324.424 3.028 10 0 DGAERO CSc1ccc(Cl)cc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171082166 432102928 /nfs/dbraw/zinc/10/29/28/432102928.db2.gz JXDPZVBZCGRBGR-NSHDSACASA-N 1 0 313.854 3.230 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](CSc2ccccc2)C(C)C)n1 ZINC000180842888 432102830 /nfs/dbraw/zinc/10/28/30/432102830.db2.gz PPAIELNQFPWIFA-HNNXBMFYSA-N 1 0 305.447 3.327 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000279663268 299344370 /nfs/dbraw/zinc/34/43/70/299344370.db2.gz DOTVHWHSYQJUMM-KKUMJFAQSA-N 1 0 319.449 3.378 10 0 DGAERO c1ccc(CN2CC[N@H+](Cc3ccccn3)[C@@H]3CCCC[C@H]32)nc1 ZINC000292947574 223322204 /nfs/dbraw/zinc/32/22/04/223322204.db2.gz DTVMEEYPVALWLI-WOJBJXKFSA-N 1 0 322.456 3.106 10 0 DGAERO C[C@H](CCc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246174667 432103585 /nfs/dbraw/zinc/10/35/85/432103585.db2.gz LKFTUPHMGYCFJZ-JFIYKMOQSA-N 1 0 317.477 3.132 10 0 DGAERO Cc1cc(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)co1 ZINC000275458768 212345638 /nfs/dbraw/zinc/34/56/38/212345638.db2.gz JKDHVCFXZYLHPW-HNNXBMFYSA-N 1 0 313.401 3.059 10 0 DGAERO C[C@H]1CSC[C@H]1[NH2+]CCc1ccccc1Br ZINC000449103252 240017625 /nfs/dbraw/zinc/01/76/25/240017625.db2.gz AEKGDTBMSGLMSR-GXFFZTMASA-N 1 0 300.265 3.333 10 0 DGAERO CCCCC[N@H+](CCCOC)Cc1cnc2nc(C)cc(C)n12 ZINC000180877348 432104412 /nfs/dbraw/zinc/10/44/12/432104412.db2.gz MFIUYFYNQHSHEE-UHFFFAOYSA-N 1 0 318.465 3.375 10 0 DGAERO c1ccc(CCC[NH2+]Cc2ccc3c(c2)OCCCCO3)nc1 ZINC000449209168 240070397 /nfs/dbraw/zinc/07/03/97/240070397.db2.gz OVMPVLXWJSRYJO-UHFFFAOYSA-N 1 0 312.413 3.355 10 0 DGAERO Clc1cnn([C@@H]2CC[N@H+](Cc3cc4cccnc4o3)C2)c1 ZINC000449336638 240141348 /nfs/dbraw/zinc/14/13/48/240141348.db2.gz OAKDNIXWTKLJMZ-CYBMUJFWSA-N 1 0 302.765 3.125 10 0 DGAERO Cc1nc(C[NH2+]C[C@H]2CCSC2)sc1Br ZINC000449400952 240177681 /nfs/dbraw/zinc/17/76/81/240177681.db2.gz KRAQHYOHANXMBP-MRVPVSSYSA-N 1 0 307.282 3.057 10 0 DGAERO c1ccc(OCc2ccncc2)c(C[NH2+]CC2=CCOCC2)c1 ZINC000449403895 240178683 /nfs/dbraw/zinc/17/86/83/240178683.db2.gz RWPMXKVDHCMPHB-UHFFFAOYSA-N 1 0 310.397 3.097 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CSC[C@@H]2C)sc1Br ZINC000449403202 240180116 /nfs/dbraw/zinc/18/01/16/240180116.db2.gz VHEBXKCRILRCNP-POYBYMJQSA-N 1 0 307.282 3.055 10 0 DGAERO CCN(C)C(=O)[C@@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C(C)C ZINC000449441418 240206421 /nfs/dbraw/zinc/20/64/21/240206421.db2.gz QZNZIJODYLIQHF-BZSNNMDCSA-N 1 0 302.462 3.415 10 0 DGAERO COc1cc(OC)c(C[C@@H](C)[NH2+][C@@H](C)CC2CC2)c(OC)c1 ZINC000449467326 240223875 /nfs/dbraw/zinc/22/38/75/240223875.db2.gz LUFJTLKANLAESP-QWHCGFSZSA-N 1 0 307.434 3.422 10 0 DGAERO COc1ccc(OC)c(C[NH2+]C[C@@](C)(OC)c2ccccc2)c1 ZINC000449487201 240238158 /nfs/dbraw/zinc/23/81/58/240238158.db2.gz WXHRDLDFVOXZCY-LJQANCHMSA-N 1 0 315.413 3.355 10 0 DGAERO Cn1cc(Br)c(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)n1 ZINC000449485654 240238224 /nfs/dbraw/zinc/23/82/24/240238224.db2.gz QYZKFUHKEAOYRD-WCQYABFASA-N 1 0 312.255 3.241 10 0 DGAERO Cn1cc(Br)c(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)n1 ZINC000449485655 240238486 /nfs/dbraw/zinc/23/84/86/240238486.db2.gz QYZKFUHKEAOYRD-YPMHNXCESA-N 1 0 312.255 3.241 10 0 DGAERO O=C(Nc1cc(F)ccc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877294 181399976 /nfs/dbraw/zinc/39/99/76/181399976.db2.gz UTAPOYRBHLYHLZ-UHFFFAOYSA-N 1 0 323.387 3.305 10 0 DGAERO Cn1nccc1C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000091284374 193030493 /nfs/dbraw/zinc/03/04/93/193030493.db2.gz YZDCAXOSPWTUGQ-HNNXBMFYSA-N 1 0 320.234 3.424 10 0 DGAERO Cc1ccc([C@H]([NH2+]Cc2cccnc2-n2cncn2)C2CC2)cc1 ZINC000091285716 193031582 /nfs/dbraw/zinc/03/15/82/193031582.db2.gz OTYHJEOWBPQWFH-SFHVURJKSA-N 1 0 319.412 3.212 10 0 DGAERO CCCC[C@H](CCC)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091367581 193048091 /nfs/dbraw/zinc/04/80/91/193048091.db2.gz DHZBALNTZWIYSM-ZFWWWQNUSA-N 1 0 312.479 3.344 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1Cl ZINC000091667170 193087981 /nfs/dbraw/zinc/08/79/81/193087981.db2.gz UEFZVFOANZQGKL-DOMZBBRYSA-N 1 0 317.260 3.365 10 0 DGAERO COC[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000091739767 193100134 /nfs/dbraw/zinc/10/01/34/193100134.db2.gz VFWKRQCSZZQQEM-INIZCTEOSA-N 1 0 304.365 3.038 10 0 DGAERO CO[C@@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000091772814 193104392 /nfs/dbraw/zinc/10/43/92/193104392.db2.gz YJLOJGPMFLJAOK-CQSZACIVSA-N 1 0 319.836 3.351 10 0 DGAERO Cc1noc([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000091833473 193114176 /nfs/dbraw/zinc/11/41/76/193114176.db2.gz UMGZWBWTNLCVNT-HNNXBMFYSA-N 1 0 323.400 3.148 10 0 DGAERO Cn1cc([C@H]([NH2+]CCCc2ccccn2)c2cccc(F)c2)cn1 ZINC000180971036 432107482 /nfs/dbraw/zinc/10/74/82/432107482.db2.gz LGSHCIMEWIQZLA-LJQANCHMSA-N 1 0 324.403 3.266 10 0 DGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000078691180 283868901 /nfs/dbraw/zinc/86/89/01/283868901.db2.gz FZCXCRUHPIIPRS-OLZOCXBDSA-N 1 0 310.413 3.180 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000246205388 432107691 /nfs/dbraw/zinc/10/76/91/432107691.db2.gz JQIFQLDIOZRESC-JKIFEVAISA-N 1 0 321.440 3.177 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246211869 432108013 /nfs/dbraw/zinc/10/80/13/432108013.db2.gz KHRTYNRVFXHIFA-OFQRWUPVSA-N 1 0 321.440 3.319 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000246204022 432108027 /nfs/dbraw/zinc/10/80/27/432108027.db2.gz MWFVBNRWLPMLDT-VHSSKADRSA-N 1 0 312.413 3.474 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451311116 241077284 /nfs/dbraw/zinc/07/72/84/241077284.db2.gz SECGWVREZPIVPW-ZIAGYGMSSA-N 1 0 319.367 3.126 10 0 DGAERO C[C@H](CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000246225751 432108740 /nfs/dbraw/zinc/10/87/40/432108740.db2.gz FFRIJYYRCVCESA-NUJGCVRESA-N 1 0 300.446 3.265 10 0 DGAERO CO[C@H]1CC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C[C@@H]1C ZINC000451577666 241179669 /nfs/dbraw/zinc/17/96/69/241179669.db2.gz VXADSPKQNWHJSJ-SJCJKPOMSA-N 1 0 300.402 3.016 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451913063 241274498 /nfs/dbraw/zinc/27/44/98/241274498.db2.gz PYEIQOPIEIVJRR-HIFRSBDPSA-N 1 0 320.260 3.198 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1F ZINC000246226626 432109214 /nfs/dbraw/zinc/10/92/14/432109214.db2.gz MAVBHXCPEWWKSN-HOCLYGCPSA-N 1 0 319.424 3.075 10 0 DGAERO O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246235542 432110473 /nfs/dbraw/zinc/11/04/73/432110473.db2.gz HWNPFVXYDLBOLR-SLFFLAALSA-N 1 0 320.436 3.250 10 0 DGAERO COc1c(Cl)cc(Cl)cc1C[NH2+]CC1(CCO)CC1 ZINC000189999748 432110977 /nfs/dbraw/zinc/11/09/77/432110977.db2.gz OQQQEIUCAYAFPK-UHFFFAOYSA-N 1 0 304.217 3.254 10 0 DGAERO c1cc(C[NH2+]Cc2cccc(COC3CCOCC3)c2)c[nH]1 ZINC000086253667 283936774 /nfs/dbraw/zinc/93/67/74/283936774.db2.gz JGYPTQCXFWPFQN-UHFFFAOYSA-N 1 0 300.402 3.000 10 0 DGAERO Cc1cccc(CCC[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000181090610 432112624 /nfs/dbraw/zinc/11/26/24/432112624.db2.gz AYZSBYIPYTYPPL-UHFFFAOYSA-N 1 0 324.472 3.238 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000246263034 432114054 /nfs/dbraw/zinc/11/40/54/432114054.db2.gz OUJLHMPGEUTLHU-QYZOEREBSA-N 1 0 308.425 3.106 10 0 DGAERO CCSCc1ccc(NC(=O)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000455848887 242295811 /nfs/dbraw/zinc/29/58/11/242295811.db2.gz AHGUORZLBKGCSC-OAHLLOKOSA-N 1 0 321.490 3.403 10 0 DGAERO C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000190022670 432114715 /nfs/dbraw/zinc/11/47/15/432114715.db2.gz GTBMNLQFYFRLAW-QAPCUYQASA-N 1 0 316.445 3.079 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)C1CCCCC1 ZINC000090938764 283995874 /nfs/dbraw/zinc/99/58/74/283995874.db2.gz HIEFAEVQSGASMQ-LSDHHAIUSA-N 1 0 313.445 3.343 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496341267 299379530 /nfs/dbraw/zinc/37/95/30/299379530.db2.gz IAPSJMOEWPMCPB-CQJMVSDSSA-N 1 0 308.466 3.410 10 0 DGAERO CCC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246273240 432115057 /nfs/dbraw/zinc/11/50/57/432115057.db2.gz MWGPVTZQLOABRA-XJKSGUPXSA-N 1 0 317.433 3.226 10 0 DGAERO Cc1ccc(S(=O)(=O)CCC[N@@H+]2C[C@H](C)CC[C@@H]2C)cc1 ZINC000091588122 284001837 /nfs/dbraw/zinc/00/18/37/284001837.db2.gz UIGSNQWJZBODAH-CVEARBPZSA-N 1 0 309.475 3.279 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000246273484 432115100 /nfs/dbraw/zinc/11/51/00/432115100.db2.gz SCRGAPXZPTVNLB-WFASDCNBSA-N 1 0 305.397 3.129 10 0 DGAERO COCc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000092785627 284008749 /nfs/dbraw/zinc/00/87/49/284008749.db2.gz OOKJCPBRMNVQOF-IBGZPJMESA-N 1 0 302.462 3.283 10 0 DGAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000094015398 284015358 /nfs/dbraw/zinc/01/53/58/284015358.db2.gz XTPJQLABJSNBTD-VXLLPVPCSA-N 1 0 324.509 3.205 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc3ccn(C)c32)CC[N@@H+]1C ZINC000190038392 432116140 /nfs/dbraw/zinc/11/61/40/432116140.db2.gz HWDKYMQJTLAKOK-DZGCQCFKSA-N 1 0 314.433 3.125 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2F)cc1 ZINC000102686722 284023305 /nfs/dbraw/zinc/02/33/05/284023305.db2.gz VBWLGITZFUTTGG-CQSZACIVSA-N 1 0 314.404 3.355 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccc2ccccc2c1 ZINC000102686735 284023666 /nfs/dbraw/zinc/02/36/66/284023666.db2.gz ZLYDLMMBFQNIMM-AWEZNQCLSA-N 1 0 308.381 3.400 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000102693661 284023709 /nfs/dbraw/zinc/02/37/09/284023709.db2.gz QORUAVJAVMPFFJ-QGZVFWFLSA-N 1 0 306.450 3.287 10 0 DGAERO CN(c1ncc(C(F)(F)F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000103994590 284033900 /nfs/dbraw/zinc/03/39/00/284033900.db2.gz WEQQACQRZRBPRA-ZACCUICWSA-N 1 0 319.758 3.473 10 0 DGAERO O=C(NCc1cccc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105204178 284038468 /nfs/dbraw/zinc/03/84/68/284038468.db2.gz UIXWKOCEXLVMNB-GOSISDBHSA-N 1 0 323.440 3.220 10 0 DGAERO CCn1cnnc1C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459354088 243345721 /nfs/dbraw/zinc/34/57/21/243345721.db2.gz RPMDNCBBJBMSSW-UHFFFAOYSA-N 1 0 312.408 3.303 10 0 DGAERO c1ccc(CN2CC[C@@H]([N@@H+]3CC[C@H](C4CCOCC4)C3)C2)cc1 ZINC000459370090 243351297 /nfs/dbraw/zinc/35/12/97/243351297.db2.gz HEHISRTUJDRURT-VQTJNVASSA-N 1 0 314.473 3.009 10 0 DGAERO CCn1nncc1C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459509061 243394804 /nfs/dbraw/zinc/39/48/04/243394804.db2.gz KTNQLZYCIUWKQJ-OAHLLOKOSA-N 1 0 308.788 3.331 10 0 DGAERO c1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@H](OCC4CC4)C3)C2)cc1 ZINC000459422649 243364631 /nfs/dbraw/zinc/36/46/31/243364631.db2.gz GDOKOZPAURZQPF-UXHICEINSA-N 1 0 314.473 3.152 10 0 DGAERO CCOc1cccc(CC[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2SC)c1 ZINC000459440619 243370144 /nfs/dbraw/zinc/37/01/44/243370144.db2.gz MMYMNQVQNIKDPQ-BRWVUGGUSA-N 1 0 309.475 3.126 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000112043478 284084536 /nfs/dbraw/zinc/08/45/36/284084536.db2.gz POTKAWVEFMFQII-YLJYHZDGSA-N 1 0 324.468 3.154 10 0 DGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1 ZINC000114157923 284106474 /nfs/dbraw/zinc/10/64/74/284106474.db2.gz YKRBOMFHANWTHU-UHFFFAOYSA-N 1 0 323.440 3.389 10 0 DGAERO O=C(C[N@@H+]1CCC[C@]2(CC=CCC2)C1)NC(C1CC1)C1CC1 ZINC000114495012 284108974 /nfs/dbraw/zinc/10/89/74/284108974.db2.gz ILHVLQAEYRGYBH-LJQANCHMSA-N 1 0 302.462 3.114 10 0 DGAERO c1oc2ccccc2c1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000093011193 193193618 /nfs/dbraw/zinc/19/36/18/193193618.db2.gz NYELERCJAURJTB-KRWDZBQOSA-N 1 0 314.429 3.120 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246331977 432119445 /nfs/dbraw/zinc/11/94/45/432119445.db2.gz BNKUFQFJXHCLDR-WCVJEAGWSA-N 1 0 309.498 3.325 10 0 DGAERO CC(C)C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000468973508 244076284 /nfs/dbraw/zinc/07/62/84/244076284.db2.gz OWCUZDRJQJSYAN-CQSZACIVSA-N 1 0 318.417 3.112 10 0 DGAERO CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CC(F)(F)F)C1(C)C ZINC000469718650 244118085 /nfs/dbraw/zinc/11/80/85/244118085.db2.gz VMEJBWOFVPQDAR-FRRDWIJNSA-N 1 0 311.388 3.215 10 0 DGAERO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000470944343 244196281 /nfs/dbraw/zinc/19/62/81/244196281.db2.gz JNCHEFURDAHIML-NFAWXSAZSA-N 1 0 317.351 3.007 10 0 DGAERO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000470944165 244197533 /nfs/dbraw/zinc/19/75/33/244197533.db2.gz ISRABVRMTSWLII-MFKMUULPSA-N 1 0 301.308 3.246 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000471792904 244247989 /nfs/dbraw/zinc/24/79/89/244247989.db2.gz LQLJDFWZFCMZLD-NUJGCVRESA-N 1 0 300.377 3.467 10 0 DGAERO CO[C@H]1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000471823919 244254191 /nfs/dbraw/zinc/25/41/91/244254191.db2.gz QZYFGSSUCDTILH-ROUUACIJSA-N 1 0 313.445 3.205 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000471823273 244254447 /nfs/dbraw/zinc/25/44/47/244254447.db2.gz PYKNMDSWUFFEPH-HUUCEWRRSA-N 1 0 305.809 3.387 10 0 DGAERO C[C@@H]1CCC[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119014528 284132381 /nfs/dbraw/zinc/13/23/81/284132381.db2.gz RKEADPDWBBPKDW-RDHHWEPZSA-N 1 0 309.498 3.327 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000262122659 203204934 /nfs/dbraw/zinc/20/49/34/203204934.db2.gz KMFRMGTZUPVIBN-INIZCTEOSA-N 1 0 320.824 3.290 10 0 DGAERO [NH3+]Cc1ccc(C(=O)NCC2(Cc3ccc(F)cc3)CC2)cc1 ZINC000262295013 203254072 /nfs/dbraw/zinc/25/40/72/203254072.db2.gz MEQSBUAUZITRGJ-UHFFFAOYSA-N 1 0 312.388 3.037 10 0 DGAERO CC[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000119127027 284135473 /nfs/dbraw/zinc/13/54/73/284135473.db2.gz FETJOBVEWLWQHJ-JQHSSLGASA-N 1 0 324.509 3.303 10 0 DGAERO Cc1cc([C@@H](NC(=O)c2ccc(C[NH3+])cc2)C2CC2)ccc1F ZINC000262335582 203265118 /nfs/dbraw/zinc/26/51/18/203265118.db2.gz WALXKTQPYRGMDM-SFHVURJKSA-N 1 0 312.388 3.474 10 0 DGAERO CCOc1ccc(OCC[N@H+](C(C)C)C2CCOCC2)cc1 ZINC000119650857 284147961 /nfs/dbraw/zinc/14/79/61/284147961.db2.gz DDQZKALGIJCYIW-UHFFFAOYSA-N 1 0 307.434 3.354 10 0 DGAERO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000475280724 244458496 /nfs/dbraw/zinc/45/84/96/244458496.db2.gz AAYBRKDXBJREKI-SJLPKXTDSA-N 1 0 302.462 3.308 10 0 DGAERO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000262707189 203387475 /nfs/dbraw/zinc/38/74/75/203387475.db2.gz MWUZZROBWGDTGC-MJVIPROJSA-N 1 0 314.351 3.066 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000120394033 284168023 /nfs/dbraw/zinc/16/80/23/284168023.db2.gz FUVLPXIEXGRQQI-CZUORRHYSA-N 1 0 307.413 3.328 10 0 DGAERO Cc1ncc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644366 193280621 /nfs/dbraw/zinc/28/06/21/193280621.db2.gz LXVFFFXXDBSYTF-QAPCUYQASA-N 1 0 312.461 3.095 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000093639642 193278023 /nfs/dbraw/zinc/27/80/23/193278023.db2.gz NQIVXNAKJRLAHZ-BZNIZROVSA-N 1 0 300.368 3.266 10 0 DGAERO C[N@H+](CCCc1ccccc1)CC(=O)Nc1ccccc1F ZINC000120462301 284170155 /nfs/dbraw/zinc/17/01/55/284170155.db2.gz UOPCKKNOHIPDLU-UHFFFAOYSA-N 1 0 300.377 3.329 10 0 DGAERO COc1ccccc1/C=C/C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000093864063 193319730 /nfs/dbraw/zinc/31/97/30/193319730.db2.gz YQTAZDHKOINHLP-UGAXZCSASA-N 1 0 311.429 3.451 10 0 DGAERO CC(C)(C)NC(=O)C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000120962632 284183226 /nfs/dbraw/zinc/18/32/26/284183226.db2.gz OIVRHVBKBXGEGF-QGZVFWFLSA-N 1 0 300.446 3.443 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)cc1F ZINC000120905751 284181375 /nfs/dbraw/zinc/18/13/75/284181375.db2.gz BYOHBTATYNGVGM-GDBMZVCRSA-N 1 0 303.377 3.225 10 0 DGAERO CCOc1nc2ccccc2nc1OCCC[C@@H]1CCCC[NH2+]1 ZINC000095069742 193415201 /nfs/dbraw/zinc/41/52/01/193415201.db2.gz VHJGTJFRUJCGNY-AWEZNQCLSA-N 1 0 315.417 3.330 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1F ZINC000120934059 284182299 /nfs/dbraw/zinc/18/22/99/284182299.db2.gz YXARCMLUTVPJNG-CZUORRHYSA-N 1 0 321.367 3.364 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2Cc3ccc(C)cc3C2)CC1 ZINC000483248411 244842462 /nfs/dbraw/zinc/84/24/62/244842462.db2.gz QLUUMZJVCOWWJU-UHFFFAOYSA-N 1 0 315.461 3.142 10 0 DGAERO C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC000246342987 432121885 /nfs/dbraw/zinc/12/18/85/432121885.db2.gz JEBQFIJBUHGYNL-JKSUJKDBSA-N 1 0 309.498 3.376 10 0 DGAERO Cc1n[nH]c(C)c1C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000121803770 284206313 /nfs/dbraw/zinc/20/63/13/284206313.db2.gz JGTAYKWZANOWCL-LJQANCHMSA-N 1 0 312.461 3.171 10 0 DGAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1c(Br)cnn1C ZINC000486988264 245008790 /nfs/dbraw/zinc/00/87/90/245008790.db2.gz IKLDLMCYVUILFV-NXEZZACHSA-N 1 0 300.244 3.097 10 0 DGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000487270001 245042404 /nfs/dbraw/zinc/04/24/04/245042404.db2.gz IZYZTPHFULIFTE-QJPTWQEYSA-N 1 0 312.255 3.241 10 0 DGAERO COc1cccc(CC[NH2+]Cc2cnc(-c3ccco3)s2)n1 ZINC000487292230 245045477 /nfs/dbraw/zinc/04/54/77/245045477.db2.gz AQNWNFSQWDUZKU-UHFFFAOYSA-N 1 0 315.398 3.139 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](C[C@H]3CCCCO3)C2)c1 ZINC000246343885 432122303 /nfs/dbraw/zinc/12/23/03/432122303.db2.gz FLIXVNSLVPFSIN-GDBMZVCRSA-N 1 0 305.418 3.062 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123479491 284239260 /nfs/dbraw/zinc/23/92/60/284239260.db2.gz CECTXLCNDPRJHJ-AWEZNQCLSA-N 1 0 322.497 3.482 10 0 DGAERO CN1CC[C@H]([NH2+]Cc2cc[nH]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246380133 432124331 /nfs/dbraw/zinc/12/43/31/432124331.db2.gz HFPMYZKLFOHOEF-JKSUJKDBSA-N 1 0 307.800 3.342 10 0 DGAERO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CC(=O)N(C)CC3CC3)C2)cc1 ZINC000490027193 245374023 /nfs/dbraw/zinc/37/40/23/245374023.db2.gz AFCFBJBYQHWFIB-YJBOKZPZSA-N 1 0 300.446 3.041 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccccc1F ZINC000124600830 284261810 /nfs/dbraw/zinc/26/18/10/284261810.db2.gz YQUWNFFTKSJZIH-CQSZACIVSA-N 1 0 306.425 3.094 10 0 DGAERO C[C@@H]1CCC[C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125258110 284272049 /nfs/dbraw/zinc/27/20/49/284272049.db2.gz LDQHIJIDAWAEGK-GYXIZQIFSA-N 1 0 309.498 3.232 10 0 DGAERO Cc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1Cl ZINC000125238060 284272184 /nfs/dbraw/zinc/27/21/84/284272184.db2.gz VBUKAGWZAJPXQS-JSGCOSHPSA-N 1 0 309.841 3.499 10 0 DGAERO COc1cccc(CC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000125964215 284289340 /nfs/dbraw/zinc/28/93/40/284289340.db2.gz ZQBNRPGIKOVKMP-SFHVURJKSA-N 1 0 307.397 3.340 10 0 DGAERO CCc1cc(C)c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000126150410 284295646 /nfs/dbraw/zinc/29/56/46/284295646.db2.gz FSEXETZYQNYKTQ-UHFFFAOYSA-N 1 0 318.392 3.281 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2cc(C)oc2C)[C@@H](C)C1 ZINC000246389749 432125150 /nfs/dbraw/zinc/12/51/50/432125150.db2.gz IYPDHMVJJFYZEN-QEORTHHSSA-N 1 0 321.465 3.329 10 0 DGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1Cl ZINC000246376302 432125536 /nfs/dbraw/zinc/12/55/36/432125536.db2.gz HCQBJFUUIUXHBX-KGLIPLIRSA-N 1 0 321.852 3.281 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2nccs2)cc1F ZINC000126689817 284313730 /nfs/dbraw/zinc/31/37/30/284313730.db2.gz LIJULVMDSFYVSI-GHMZBOCLSA-N 1 0 307.394 3.268 10 0 DGAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000190148191 432126011 /nfs/dbraw/zinc/12/60/11/432126011.db2.gz WGQDLXWZGMQDRB-SYAUCNOPSA-N 1 0 305.422 3.132 10 0 DGAERO COc1cc(C[NH2+][C@H](C)CSC)cc(Br)c1O ZINC000135562051 432126105 /nfs/dbraw/zinc/12/61/05/432126105.db2.gz OSKDQPOGUFNSEV-MRVPVSSYSA-N 1 0 320.252 3.004 10 0 DGAERO CCC[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)C[C@H]1CCCCO1 ZINC000246393460 432126603 /nfs/dbraw/zinc/12/66/03/432126603.db2.gz WAOBVFMIACRREG-CRAIPNDOSA-N 1 0 322.493 3.057 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731137 217207858 /nfs/dbraw/zinc/20/78/58/217207858.db2.gz MGFQXEZVBOCIRX-DOTOQJQBSA-N 1 0 301.434 3.092 10 0 DGAERO CCCCNc1ccccc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000127234426 284331978 /nfs/dbraw/zinc/33/19/78/284331978.db2.gz HEIRMDUYJYEHRE-INIZCTEOSA-N 1 0 317.477 3.455 10 0 DGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000127270446 284332648 /nfs/dbraw/zinc/33/26/48/284332648.db2.gz JWIVSCCDXXZLRW-OLZOCXBDSA-N 1 0 318.642 3.496 10 0 DGAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(Br)cc1F ZINC000127268348 284332979 /nfs/dbraw/zinc/33/29/79/284332979.db2.gz DWAYZVQENZYXSB-FKTRJACZSA-N 1 0 302.187 3.010 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1CC ZINC000127316438 284335231 /nfs/dbraw/zinc/33/52/31/284335231.db2.gz AWHWXANOINZJGW-CQSZACIVSA-N 1 0 303.450 3.227 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000127984083 284359737 /nfs/dbraw/zinc/35/97/37/284359737.db2.gz GJIHVGMUDKODAT-DGCLKSJQSA-N 1 0 323.403 3.137 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CSC2(C)C)c(Cl)c1OC ZINC000282865607 217287042 /nfs/dbraw/zinc/28/70/42/217287042.db2.gz QRGLQINNSAVIMC-NSHDSACASA-N 1 0 301.839 3.341 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000128178333 284365849 /nfs/dbraw/zinc/36/58/49/284365849.db2.gz XUFFEDYAIHBWKT-BSDSXHPESA-N 1 0 300.446 3.300 10 0 DGAERO Cc1cccc2nc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn21 ZINC000246422897 432128871 /nfs/dbraw/zinc/12/88/71/432128871.db2.gz CCZYNPKOLQIYFM-QFBILLFUSA-N 1 0 324.472 3.091 10 0 DGAERO CC[C@H](NC(=O)N(CC)CCC[NH+]1CCCC1)c1nccs1 ZINC000190182437 432129211 /nfs/dbraw/zinc/12/92/11/432129211.db2.gz FOPATHIMRHZRAD-AWEZNQCLSA-N 1 0 324.494 3.112 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1c(F)cccc1Cl ZINC000128937084 284392103 /nfs/dbraw/zinc/39/21/03/284392103.db2.gz JTKIKVRDZJHYEI-LLVKDONJSA-N 1 0 300.805 3.185 10 0 DGAERO O=C(CC[NH2+]Cc1cccc(Cl)c1Cl)N1CCCC1 ZINC000019230332 182108870 /nfs/dbraw/zinc/10/88/70/182108870.db2.gz DQMSITHFSNONFZ-UHFFFAOYSA-N 1 0 301.217 3.096 10 0 DGAERO Brc1ccc(CC[NH2+]CCN2CCCCC2)cc1 ZINC000019365498 182118809 /nfs/dbraw/zinc/11/88/09/182118809.db2.gz RFFDGMPQOMTBBL-UHFFFAOYSA-N 1 0 311.267 3.067 10 0 DGAERO [NH3+][C@H](c1ccccc1)c1ccccc1I ZINC000019421510 182122237 /nfs/dbraw/zinc/12/22/37/182122237.db2.gz YACRXAUWVDSWQM-CYBMUJFWSA-N 1 0 309.150 3.339 10 0 DGAERO CCc1cc(C)c(C(=O)N2CC[N@H+](C)CC23CCCCC3)o1 ZINC000129026790 284395262 /nfs/dbraw/zinc/39/52/62/284395262.db2.gz ZNUCIMAHLNWAMX-UHFFFAOYSA-N 1 0 304.434 3.241 10 0 DGAERO Cc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)c(Br)c1 ZINC000019483601 182125385 /nfs/dbraw/zinc/12/53/85/182125385.db2.gz MUTVCFCSMNOOMK-CQSZACIVSA-N 1 0 319.202 3.396 10 0 DGAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2cccc(Br)c2)C1 ZINC000019435618 182123253 /nfs/dbraw/zinc/12/32/53/182123253.db2.gz GZEHKEAJXBFAPH-ZOWXZIJZSA-N 1 0 311.267 3.427 10 0 DGAERO NC(=[NH2+])c1ccccc1OCc1cc(Br)ccc1F ZINC000019470792 182124571 /nfs/dbraw/zinc/12/45/71/182124571.db2.gz DOKXRSVSCIJKTD-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000246435609 432131118 /nfs/dbraw/zinc/13/11/18/432131118.db2.gz TXNWOXUQXUVLDS-UXLLHSPISA-N 1 0 303.450 3.119 10 0 DGAERO Cc1cc(C[NH2+]CC[C@@H](C)[S@@](C)=O)ccc1Br ZINC000129395015 284407904 /nfs/dbraw/zinc/40/79/04/284407904.db2.gz FTDKHPQNMUIAJZ-DIFFPNOSSA-N 1 0 318.280 3.004 10 0 DGAERO [NH3+][C@H]1CN(Cc2ccccc2)c2ccc(Br)cc21 ZINC000019795873 182150830 /nfs/dbraw/zinc/15/08/30/182150830.db2.gz IRHNTJOSEDWWHW-AWEZNQCLSA-N 1 0 303.203 3.469 10 0 DGAERO CC[NH+]1CCC(Nc2ccc(Br)cc2F)CC1 ZINC000019907957 182163066 /nfs/dbraw/zinc/16/30/66/182163066.db2.gz JFMQWPKSIXFVSK-UHFFFAOYSA-N 1 0 301.203 3.484 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](CCOc3cccc(C)c3)C2)no1 ZINC000171408253 432131536 /nfs/dbraw/zinc/13/15/36/432131536.db2.gz ZCYLQBYSQFUOQB-INIZCTEOSA-N 1 0 315.417 3.020 10 0 DGAERO Oc1ccc(C[NH2+]C[C@@H]2NCCc3ccccc32)cc1Cl ZINC000019848670 182156815 /nfs/dbraw/zinc/15/68/15/182156815.db2.gz ZCBFSXWXWXKMRX-INIZCTEOSA-N 1 0 302.805 3.022 10 0 DGAERO CCC(C)(C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000019879724 182159503 /nfs/dbraw/zinc/15/95/03/182159503.db2.gz WDIRDRGLFFJKSF-UHFFFAOYSA-N 1 0 302.212 3.442 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccc(Br)cc1 ZINC000019946483 182168574 /nfs/dbraw/zinc/16/85/74/182168574.db2.gz NITWHDMVYNCARB-IAQYHMDHSA-N 1 0 309.251 3.194 10 0 DGAERO Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000020032956 182182140 /nfs/dbraw/zinc/18/21/40/182182140.db2.gz UCNDLSQOIMPCEB-LBPRGKRZSA-N 1 0 311.223 3.147 10 0 DGAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226334 182199014 /nfs/dbraw/zinc/19/90/14/182199014.db2.gz SGJHNMOLCIMECR-KRWDZBQOSA-N 1 0 314.429 3.226 10 0 DGAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(F)cc2Br)cc1 ZINC000020430920 182217317 /nfs/dbraw/zinc/21/73/17/182217317.db2.gz UZLOGCSPWSFCCU-UHFFFAOYSA-N 1 0 323.165 3.299 10 0 DGAERO O=C(Nc1nc2ccccc2s1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262282386 284428919 /nfs/dbraw/zinc/42/89/19/284428919.db2.gz XHIFUUOBWNZQNC-MEDUHNTESA-N 1 0 301.415 3.015 10 0 DGAERO CCS[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)C(C)C ZINC000130543418 284442099 /nfs/dbraw/zinc/44/20/99/284442099.db2.gz AAJHQROCNZZNDS-YMAMQOFZSA-N 1 0 300.512 3.001 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000283184898 217482559 /nfs/dbraw/zinc/48/25/59/217482559.db2.gz KDRLYJRBWWJNNX-CBVHJVASSA-N 1 0 300.446 3.027 10 0 DGAERO O=C(NCCc1cccc2ccccc21)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494260678 246127810 /nfs/dbraw/zinc/12/78/10/246127810.db2.gz YDHLEAVSMULNBH-LJQANCHMSA-N 1 0 308.425 3.125 10 0 DGAERO COc1ccc([C@H](CCc2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000022041028 182305498 /nfs/dbraw/zinc/30/54/98/182305498.db2.gz NTLFZKGHUHWYHB-FQEVSTJZSA-N 1 0 310.441 3.274 10 0 DGAERO Cc1nc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000181556368 432135123 /nfs/dbraw/zinc/13/51/23/432135123.db2.gz YRLOLVKAYFNZBY-FZMZJTMJSA-N 1 0 321.490 3.143 10 0 DGAERO Cc1nc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000181556328 432135770 /nfs/dbraw/zinc/13/57/70/432135770.db2.gz YRLOLVKAYFNZBY-SMDDNHRTSA-N 1 0 321.490 3.143 10 0 DGAERO Cc1nc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000181556348 432136301 /nfs/dbraw/zinc/13/63/01/432136301.db2.gz YRLOLVKAYFNZBY-BXUZGUMPSA-N 1 0 321.490 3.143 10 0 DGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137081488 284513530 /nfs/dbraw/zinc/51/35/30/284513530.db2.gz FCOCRLHNSGZTSQ-OLZOCXBDSA-N 1 0 318.642 3.496 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)[NH+](C)C ZINC000138572370 284524870 /nfs/dbraw/zinc/52/48/70/284524870.db2.gz GURQXOAHCPMYPW-HZMBPMFUSA-N 1 0 300.805 3.387 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000246496404 432138744 /nfs/dbraw/zinc/13/87/44/432138744.db2.gz RSLLPARXEMAKDT-KZNAEPCWSA-N 1 0 314.473 3.486 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CCC(C)CC2)[C@@H](C)C1 ZINC000246522282 432140260 /nfs/dbraw/zinc/14/02/60/432140260.db2.gz UXNXSOPDDLUOJU-ODZFXCKXSA-N 1 0 309.498 3.184 10 0 DGAERO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000034161235 182731001 /nfs/dbraw/zinc/73/10/01/182731001.db2.gz XCBRQKMHQPWSGQ-UHFFFAOYSA-N 1 0 303.352 3.200 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000246547826 432141946 /nfs/dbraw/zinc/14/19/46/432141946.db2.gz SVOQIZQQXSPBCG-OUCADQQQSA-N 1 0 315.442 3.087 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)CC[C@H]1c1ccccc1 ZINC000246535113 432141630 /nfs/dbraw/zinc/14/16/30/432141630.db2.gz LJCGEHRMAJKWAZ-LZLYRXPVSA-N 1 0 323.502 3.183 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000246552488 432143907 /nfs/dbraw/zinc/14/39/07/432143907.db2.gz XJLPSSPNDKRDEW-UXLLHSPISA-N 1 0 303.450 3.119 10 0 DGAERO Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000171551990 432144322 /nfs/dbraw/zinc/14/43/22/432144322.db2.gz QLBJVJANAZSMGT-MRXNPFEDSA-N 1 0 315.461 3.244 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc3[nH]ccc32)C1 ZINC000246569737 432145972 /nfs/dbraw/zinc/14/59/72/432145972.db2.gz XJQONTDOTFEKII-MLGOLLRUSA-N 1 0 300.406 3.018 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000246593142 432147717 /nfs/dbraw/zinc/14/77/17/432147717.db2.gz YYSKYLRECWZCNO-IINYFYTJSA-N 1 0 313.804 3.329 10 0 DGAERO CSCc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246602238 432148525 /nfs/dbraw/zinc/14/85/25/432148525.db2.gz ZRWHVONNJASAMD-XJKSGUPXSA-N 1 0 321.490 3.400 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H](C)N(C)C ZINC000038088610 182987822 /nfs/dbraw/zinc/98/78/22/182987822.db2.gz QKVWDGREKYTPSA-CHWSQXEVSA-N 1 0 300.393 3.149 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000040652837 183114296 /nfs/dbraw/zinc/11/42/96/183114296.db2.gz HVFFFEHZQQTMBD-CYBMUJFWSA-N 1 0 324.852 3.149 10 0 DGAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccc(F)c(F)c1 ZINC000040687674 183118134 /nfs/dbraw/zinc/11/81/34/183118134.db2.gz CDERWJLVJZUPSC-UHFFFAOYSA-N 1 0 314.299 3.219 10 0 DGAERO Cc1c(Cl)cccc1Nc1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040701628 183119694 /nfs/dbraw/zinc/11/96/94/183119694.db2.gz OJKWZILDEPZZOZ-UHFFFAOYSA-N 1 0 320.828 3.479 10 0 DGAERO COc1ccc(Br)cc1-c1nc(CC[NH3+])cs1 ZINC000041564724 183203216 /nfs/dbraw/zinc/20/32/16/183203216.db2.gz AVYRTFZBMJXLNA-UHFFFAOYSA-N 1 0 313.220 3.082 10 0 DGAERO CN(Cc1ccoc1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042308269 183252600 /nfs/dbraw/zinc/25/26/00/183252600.db2.gz XXEVFCJFSNPFCK-SNVBAGLBSA-N 1 0 315.236 3.235 10 0 DGAERO CC[NH2+]CCN(CC)Cc1ccc(F)cc1Br ZINC000042367499 183259576 /nfs/dbraw/zinc/25/95/76/183259576.db2.gz GCOWELSVSAQPMN-UHFFFAOYSA-N 1 0 303.219 3.020 10 0 DGAERO CCCN(CC[NH2+]C)Cc1ccc(F)c(Br)c1 ZINC000042404448 183263929 /nfs/dbraw/zinc/26/39/29/183263929.db2.gz BSURWFWXCKGLPO-UHFFFAOYSA-N 1 0 303.219 3.020 10 0 DGAERO NC(=S)CC[N@H+](Cc1ccccc1Br)C1CC1 ZINC000042546205 183282714 /nfs/dbraw/zinc/28/27/14/183282714.db2.gz MERVRCKRPMKIPK-UHFFFAOYSA-N 1 0 313.264 3.090 10 0 DGAERO CC(C)N(CC1CC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042580109 183286753 /nfs/dbraw/zinc/28/67/53/183286753.db2.gz FXDZAOQXVGJUHX-NSHDSACASA-N 1 0 301.228 3.162 10 0 DGAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)n1cc(Br)cn1 ZINC000042947568 183320540 /nfs/dbraw/zinc/32/05/40/183320540.db2.gz AFTUSIVLRPMFML-UFBFGSQYSA-N 1 0 314.614 3.236 10 0 DGAERO C[C@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000042957274 183322688 /nfs/dbraw/zinc/32/26/88/183322688.db2.gz RKJMMEVCARYSLG-LEWSCRJBSA-N 1 0 314.223 3.033 10 0 DGAERO [NH3+]Cc1ccc(Br)cc1N(CC(F)(F)F)C1CC1 ZINC000042777825 183307525 /nfs/dbraw/zinc/30/75/25/183307525.db2.gz SISJUHMXHYYXCU-UHFFFAOYSA-N 1 0 323.156 3.439 10 0 DGAERO O[C@@H](C[NH2+]C[C@H]1CCCCO1)c1cc(Cl)ccc1Cl ZINC000042819746 183312645 /nfs/dbraw/zinc/31/26/45/183312645.db2.gz LRZUOKYEIAVNIW-RISCZKNCSA-N 1 0 304.217 3.186 10 0 DGAERO [NH3+]C[C@@H](OC[C@H]1CCCCO1)c1ccccc1Br ZINC000043094743 183337568 /nfs/dbraw/zinc/33/75/68/183337568.db2.gz QHISBRAESQYYKC-BXUZGUMPSA-N 1 0 314.223 3.035 10 0 DGAERO C[C@H]([NH3+])[C@H](OCC(F)(F)F)c1ccccc1Br ZINC000043093987 183336530 /nfs/dbraw/zinc/33/65/30/183336530.db2.gz DWXXABGXRLJNQE-XVKPBYJWSA-N 1 0 312.129 3.416 10 0 DGAERO CC[N@@H+](Cc1sccc1Br)C[C@H](C)C(N)=S ZINC000043675548 183379102 /nfs/dbraw/zinc/37/91/02/183379102.db2.gz LFMCCNRDIYQQRK-QMMMGPOBSA-N 1 0 321.309 3.255 10 0 DGAERO CCN(CC[NH2+]C(C)C)Cc1cc(Br)cs1 ZINC000043687672 183381228 /nfs/dbraw/zinc/38/12/28/183381228.db2.gz XSTCUQITUDPIGA-UHFFFAOYSA-N 1 0 305.285 3.331 10 0 DGAERO C[C@@H](CCc1ccccc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000170941054 284720395 /nfs/dbraw/zinc/72/03/95/284720395.db2.gz FMKKGRIIKCTKEF-KRWDZBQOSA-N 1 0 324.472 3.399 10 0 DGAERO CC[NH+](CC)CCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105069401 194068497 /nfs/dbraw/zinc/06/84/97/194068497.db2.gz WFWONRLARUPROL-UHFFFAOYSA-N 1 0 307.438 3.076 10 0 DGAERO c1ccc2c(c1)cccc2-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000273921483 211174410 /nfs/dbraw/zinc/17/44/10/211174410.db2.gz IALAYLACKZDJPJ-RHSMWYFYSA-N 1 0 321.380 3.426 10 0 DGAERO COc1ccc(Cl)c(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000105020406 194064687 /nfs/dbraw/zinc/06/46/87/194064687.db2.gz HNNBJUFAAHTTSD-LBPRGKRZSA-N 1 0 323.824 3.051 10 0 DGAERO C[C@H](NC(=O)NCC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000105080549 194071109 /nfs/dbraw/zinc/07/11/09/194071109.db2.gz YFBGIHRAHNOECR-LBPRGKRZSA-N 1 0 309.841 3.042 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1Cl ZINC000105872242 194151085 /nfs/dbraw/zinc/15/10/85/194151085.db2.gz CSSAHICVKOQVGC-MWLCHTKSSA-N 1 0 311.216 3.251 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)CC2 ZINC000105874328 194153713 /nfs/dbraw/zinc/15/37/13/194153713.db2.gz HVFZBUSZOMHGCG-SWLSCSKDSA-N 1 0 302.397 3.206 10 0 DGAERO Cc1nc([C@H]2CCCN2C(=O)c2ccc3c[nH+]cn3c2)cs1 ZINC000285026888 218262216 /nfs/dbraw/zinc/26/22/16/218262216.db2.gz SAQUHEVEOLJBPZ-OAHLLOKOSA-N 1 0 312.398 3.077 10 0 DGAERO CCn1cnnc1C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000105928598 194172793 /nfs/dbraw/zinc/17/27/93/194172793.db2.gz OSOLMPRWUBLHAU-UHFFFAOYSA-N 1 0 318.852 3.374 10 0 DGAERO Cc1cc(N2CCO[C@@](C)(c3cnn(C)c3)C2)c2ccccc2[nH+]1 ZINC000268421612 206702263 /nfs/dbraw/zinc/70/22/63/206702263.db2.gz XIXVDCHCGFKRER-LJQANCHMSA-N 1 0 322.412 3.029 10 0 DGAERO Cc1ccc(N2CCC[N@H+](Cc3ccccc3Cl)CC2)nn1 ZINC000106074783 194183677 /nfs/dbraw/zinc/18/36/77/194183677.db2.gz FVSQSNHAVPHIHF-UHFFFAOYSA-N 1 0 316.836 3.151 10 0 DGAERO C[C@H](c1ccccc1F)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076086 194184247 /nfs/dbraw/zinc/18/42/47/194184247.db2.gz CCXDQYZVSMNXHC-HUUCEWRRSA-N 1 0 314.408 3.278 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000106210961 194190076 /nfs/dbraw/zinc/19/00/76/194190076.db2.gz PFUVZBKNLOFWDD-QGZVFWFLSA-N 1 0 317.408 3.392 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)NCC1(C)CCC1)c1ccco1 ZINC000177457227 284769235 /nfs/dbraw/zinc/76/92/35/284769235.db2.gz DVJKIBMEROTLKX-AWEZNQCLSA-N 1 0 307.438 3.152 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000106423830 194212019 /nfs/dbraw/zinc/21/20/19/194212019.db2.gz IEJMMOUGLWDQRW-QGZVFWFLSA-N 1 0 316.832 3.129 10 0 DGAERO Fc1cccc(Cc2nc3cccnc3n2C2CC[NH2+]CC2)c1 ZINC000049454785 183732295 /nfs/dbraw/zinc/73/22/95/183732295.db2.gz KRXLKTYVRLHQRU-UHFFFAOYSA-N 1 0 310.376 3.086 10 0 DGAERO COc1c(C)cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1C ZINC000151409841 196676518 /nfs/dbraw/zinc/67/65/18/196676518.db2.gz MMKXSOHVGVZLES-SJLPKXTDSA-N 1 0 321.486 3.456 10 0 DGAERO CCC[NH2+]C[C@H]1CCCN1Cc1sccc1Br ZINC000053648760 183909109 /nfs/dbraw/zinc/90/91/09/183909109.db2.gz FOOZUMHJPNGIRM-LLVKDONJSA-N 1 0 317.296 3.475 10 0 DGAERO C[C@H]([NH2+]CCn1cncn1)c1ccc(OCc2ccccc2)cc1 ZINC000268857931 207027290 /nfs/dbraw/zinc/02/72/90/207027290.db2.gz UZMMEYXJPHXSFE-INIZCTEOSA-N 1 0 322.412 3.208 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245913076 284853833 /nfs/dbraw/zinc/85/38/33/284853833.db2.gz DXVUZHIWKSNDMU-RBSFLKMASA-N 1 0 308.491 3.253 10 0 DGAERO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000245956518 284858784 /nfs/dbraw/zinc/85/87/84/284858784.db2.gz CRTVTAQVHSFUCI-UNEWFSDZSA-N 1 0 324.490 3.344 10 0 DGAERO CC[C@@H]([NH3+])Cc1cc(C)nc(-c2ccccc2Br)n1 ZINC000054835751 183952348 /nfs/dbraw/zinc/95/23/48/183952348.db2.gz OCMDBQZOUISGBJ-LLVKDONJSA-N 1 0 320.234 3.494 10 0 DGAERO COc1cc(Cl)c(C)cc1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000055368168 183982561 /nfs/dbraw/zinc/98/25/61/183982561.db2.gz QPYMXICNTDISHI-HNNXBMFYSA-N 1 0 304.777 3.296 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CCCCC2)C1 ZINC000059992131 184143137 /nfs/dbraw/zinc/14/31/37/184143137.db2.gz CZGKVYQVZMOKBT-GJZGRUSLSA-N 1 0 309.498 3.375 10 0 DGAERO CC[NH2+]C[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000061220254 184166273 /nfs/dbraw/zinc/16/62/73/184166273.db2.gz PGVHRIBISVPHNH-SECBINFHSA-N 1 0 310.195 3.212 10 0 DGAERO Cc1ccc(CCCCC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061603871 184177489 /nfs/dbraw/zinc/17/74/89/184177489.db2.gz RFQFTPOHJCWSBY-UHFFFAOYSA-N 1 0 314.473 3.405 10 0 DGAERO C[C@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000061612330 184178665 /nfs/dbraw/zinc/17/86/65/184178665.db2.gz DZYJYPCBVORCOK-LRDDRELGSA-N 1 0 302.805 3.260 10 0 DGAERO CN(C)C(=O)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061761311 184187399 /nfs/dbraw/zinc/18/73/99/184187399.db2.gz AVVDYRFDALYSPQ-UHFFFAOYSA-N 1 0 314.351 3.006 10 0 DGAERO [NH3+]C[C@@H](SC1CCOCC1)c1cccc(Br)c1 ZINC000062054181 184203498 /nfs/dbraw/zinc/20/34/98/184203498.db2.gz BEFSQBZYBZQHGF-CYBMUJFWSA-N 1 0 316.264 3.361 10 0 DGAERO CCOc1ccc(Br)cc1[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000062230927 184223831 /nfs/dbraw/zinc/22/38/31/184223831.db2.gz ZJGNLOWKBHBQPY-QMTHXVAHSA-N 1 0 314.223 3.274 10 0 DGAERO CCOc1ccc(Br)cc1[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000062230932 184224079 /nfs/dbraw/zinc/22/40/79/184224079.db2.gz ZJGNLOWKBHBQPY-HZMBPMFUSA-N 1 0 314.223 3.274 10 0 DGAERO CCC[C@]1(C(=O)Nc2ccccc2Br)CC[NH2+]C1 ZINC000062889184 184258484 /nfs/dbraw/zinc/25/84/84/184258484.db2.gz QDSIOSBBPMNUDG-AWEZNQCLSA-N 1 0 311.223 3.167 10 0 DGAERO CC[C@]1(CN(C)Cc2ccccc2Br)CC[NH2+]C1 ZINC000062911571 184259378 /nfs/dbraw/zinc/25/93/78/184259378.db2.gz VCHBLHNGJLTECC-HNNXBMFYSA-N 1 0 311.267 3.271 10 0 DGAERO [NH3+]Cc1cccc(NC(=O)c2ccc(Br)cc2F)c1 ZINC000063190903 184277320 /nfs/dbraw/zinc/27/73/20/184277320.db2.gz XIFNKQXZBAOKFK-UHFFFAOYSA-N 1 0 323.165 3.299 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245596522 284922998 /nfs/dbraw/zinc/92/29/98/284922998.db2.gz NFGLYXHOSZNCFM-JQFCIGGWSA-N 1 0 310.869 3.490 10 0 DGAERO COC[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000248655063 285015048 /nfs/dbraw/zinc/01/50/48/285015048.db2.gz AYGUGMMIHIMCRB-XKQJLSEDSA-N 1 0 310.869 3.346 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249174794 207673648 /nfs/dbraw/zinc/67/36/48/207673648.db2.gz YTMNPDJUBWETBK-KSZLIROESA-N 1 0 310.445 3.422 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000249240465 207675033 /nfs/dbraw/zinc/67/50/33/207675033.db2.gz CRRCDXWRIQNXTG-FHSNZYRGSA-N 1 0 317.408 3.395 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000248755318 285023484 /nfs/dbraw/zinc/02/34/84/285023484.db2.gz HGWPQJYFGUVIOV-JJLQDPRZSA-N 1 0 304.365 3.214 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cccc2OC)[C@@H](C)C1 ZINC000248858374 285033109 /nfs/dbraw/zinc/03/31/09/285033109.db2.gz ZXJINFKRSNLJOT-LSDHHAIUSA-N 1 0 319.449 3.198 10 0 DGAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000248895886 285038009 /nfs/dbraw/zinc/03/80/09/285038009.db2.gz UDGVJNCUOMISCW-VBQJREDUSA-N 1 0 316.445 3.149 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccs2)cc1 ZINC000120040545 195085243 /nfs/dbraw/zinc/08/52/43/195085243.db2.gz ZXKJJFNTMLWILT-ZDUSSCGKSA-N 1 0 302.443 3.278 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ncc(C(C)C)s2)[C@@H](C)C1 ZINC000249086850 285053642 /nfs/dbraw/zinc/05/36/42/285053642.db2.gz SHVAOPXRVLKTGY-QWHCGFSZSA-N 1 0 324.494 3.461 10 0 DGAERO O=C(Nc1csc2ccccc12)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333123149 252937264 /nfs/dbraw/zinc/93/72/64/252937264.db2.gz GWEFYNPJHUVDTD-FRRDWIJNSA-N 1 0 315.442 3.411 10 0 DGAERO COC[C@H](C)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249176711 285061481 /nfs/dbraw/zinc/06/14/81/285061481.db2.gz FMAMWYDQLFHUNJ-ZWZTZDBGSA-N 1 0 318.244 3.166 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(OC)c2)[C@@H](C)C1 ZINC000249264339 285065240 /nfs/dbraw/zinc/06/52/40/285065240.db2.gz IMWVNMUFNMJXLA-WFASDCNBSA-N 1 0 323.412 3.028 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)C1CCOCC1 ZINC000249182833 285062201 /nfs/dbraw/zinc/06/22/01/285062201.db2.gz JFEUZZQZYILQSF-SXLOBPIMSA-N 1 0 317.473 3.429 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000249282180 285066516 /nfs/dbraw/zinc/06/65/16/285066516.db2.gz GVRLUIGLQJCNOA-RCCFBDPRSA-N 1 0 300.446 3.232 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000249435112 285073733 /nfs/dbraw/zinc/07/37/33/285073733.db2.gz KOOBJISICRWTSS-BPQIPLTHSA-N 1 0 323.502 3.153 10 0 DGAERO c1cnc(N2CCC[C@@H]([NH2+]Cc3cccc(C4CC4)c3)C2)nc1 ZINC000336867339 253014428 /nfs/dbraw/zinc/01/44/28/253014428.db2.gz MKEXVUQTXLXTSG-GOSISDBHSA-N 1 0 308.429 3.113 10 0 DGAERO CCN(C(=O)N[C@@H]1CCC[N@H+](CC)C1)[C@H](C)Cc1ccsc1 ZINC000249520674 285078827 /nfs/dbraw/zinc/07/88/27/285078827.db2.gz VEBBCOBFLZHTOJ-GDBMZVCRSA-N 1 0 323.506 3.195 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000336887897 253018270 /nfs/dbraw/zinc/01/82/70/253018270.db2.gz DOAZRHFWDUTUBC-GFCCVEGCSA-N 1 0 302.187 3.245 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249601013 285082436 /nfs/dbraw/zinc/08/24/36/285082436.db2.gz YFOVCQWMSNDKJH-SJKOYZFVSA-N 1 0 324.852 3.070 10 0 DGAERO Cc1cc(C)cc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1 ZINC000071790610 291852308 /nfs/dbraw/zinc/85/23/08/291852308.db2.gz GRDJSTQQMVNOOT-CVEARBPZSA-N 1 0 304.434 3.355 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2cc(C)sc2C)C1 ZINC000249807645 285089297 /nfs/dbraw/zinc/08/92/97/285089297.db2.gz XEOBNUUQQBCHDC-TZMCWYRMSA-N 1 0 309.479 3.209 10 0 DGAERO Cc1nc2[nH]ccc2c(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000337835040 253181486 /nfs/dbraw/zinc/18/14/86/253181486.db2.gz BPXFLESFIUERTF-CJNGLKHVSA-N 1 0 321.428 3.341 10 0 DGAERO CC[C@H](C)[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000252007801 285101356 /nfs/dbraw/zinc/10/13/56/285101356.db2.gz YBNADUQRYYRUDP-JZXOWHBKSA-N 1 0 317.477 3.044 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](O)C1CCOCC1 ZINC000338202093 253241498 /nfs/dbraw/zinc/24/14/98/253241498.db2.gz YVWCZJXFWKQXGJ-RTGRKSDTSA-N 1 0 309.837 3.120 10 0 DGAERO CSC[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000252775383 285105539 /nfs/dbraw/zinc/10/55/39/285105539.db2.gz NOUSLCGDIPBKPM-MJBXVCDLSA-N 1 0 316.511 3.363 10 0 DGAERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1 ZINC000159176061 197333022 /nfs/dbraw/zinc/33/30/22/197333022.db2.gz YZSMEYXTEZGMRV-KBXCAEBGSA-N 1 0 314.404 3.176 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255137765 285133943 /nfs/dbraw/zinc/13/39/43/285133943.db2.gz LJSRJVMXWYEBMA-ZUTYSQTGSA-N 1 0 300.446 3.471 10 0 DGAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)CCn2cccn2)c1 ZINC000158581595 197285272 /nfs/dbraw/zinc/28/52/72/197285272.db2.gz GOVADHQDLQXOEX-ZIAGYGMSSA-N 1 0 303.406 3.030 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000158135323 197246262 /nfs/dbraw/zinc/24/62/62/197246262.db2.gz WBWPGQCWPJRERD-CHWSQXEVSA-N 1 0 322.430 3.371 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)ccc1F ZINC000179394705 533114895 /nfs/dbraw/zinc/11/48/95/533114895.db2.gz XHRBJVHKDWQHBW-UKRRQHHQSA-N 1 0 311.397 3.071 10 0 DGAERO c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000342954282 254080363 /nfs/dbraw/zinc/08/03/63/254080363.db2.gz XGJHDUDSNCENHQ-IBGZPJMESA-N 1 0 311.429 3.265 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CCOc1ccccc1 ZINC000343080778 254096411 /nfs/dbraw/zinc/09/64/11/254096411.db2.gz VBCWFQFFESIIJZ-UHFFFAOYSA-N 1 0 311.410 3.374 10 0 DGAERO CO[C@H](C)C[N@H+](Cc1cncc(Br)c1)C(C)C ZINC000343543161 254158805 /nfs/dbraw/zinc/15/88/05/254158805.db2.gz XHDLLEISKFDPJK-LLVKDONJSA-N 1 0 301.228 3.089 10 0 DGAERO c1c(CNC2CC[NH+](C3CCC3)CC2)[nH]nc1-c1ccccc1 ZINC000343776504 254186779 /nfs/dbraw/zinc/18/67/79/254186779.db2.gz YXUDAWFUAASYLB-UHFFFAOYSA-N 1 0 310.445 3.183 10 0 DGAERO c1cn(Cc2ccccc2)c(C[NH2+]C[C@@H]2CCCCS2)n1 ZINC000344297666 254252797 /nfs/dbraw/zinc/25/27/97/254252797.db2.gz CJNDSYPNJZBRKS-INIZCTEOSA-N 1 0 301.459 3.307 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000157210685 197170385 /nfs/dbraw/zinc/17/03/85/197170385.db2.gz VLKUCJHASUWOEH-CYBMUJFWSA-N 1 0 311.857 3.383 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)cc1)[NH+](C)C ZINC000156871409 197146654 /nfs/dbraw/zinc/14/66/54/197146654.db2.gz KULVKNSBUVNMFI-ZDUSSCGKSA-N 1 0 318.339 3.297 10 0 DGAERO CN(c1ccccc1)c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cn1 ZINC000261821117 285193204 /nfs/dbraw/zinc/19/32/04/285193204.db2.gz IHQZQISFQGOVKC-HDICACEKSA-N 1 0 322.456 3.176 10 0 DGAERO c1ccc2c(c1)[nH]c1c2CN(c2cc(N3CCCC3)ncn2)CC1 ZINC000264375313 285199284 /nfs/dbraw/zinc/19/92/84/285199284.db2.gz WADCDSLLAIDWPU-UHFFFAOYSA-N 1 0 319.412 3.121 10 0 DGAERO CC(C)[C@@H](O)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000156307199 197103084 /nfs/dbraw/zinc/10/30/84/197103084.db2.gz IEJQSTMDRNKQNL-QAPCUYQASA-N 1 0 318.461 3.407 10 0 DGAERO Fc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c(F)c1 ZINC000120356089 195149487 /nfs/dbraw/zinc/14/94/87/195149487.db2.gz GELNMLHGUUDESV-ZDUSSCGKSA-N 1 0 303.356 3.294 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000120370474 195153328 /nfs/dbraw/zinc/15/33/28/195153328.db2.gz BJWSVXWSSWLCIX-PBHICJAKSA-N 1 0 319.449 3.279 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)ccc2OC)[C@H](C)C1 ZINC000120393303 195156525 /nfs/dbraw/zinc/15/65/25/195156525.db2.gz UUULQPBHYAJWPM-GDBMZVCRSA-N 1 0 319.449 3.198 10 0 DGAERO CCOc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000120401575 195159413 /nfs/dbraw/zinc/15/94/13/195159413.db2.gz NHVQIPNEMHYRAX-GDBMZVCRSA-N 1 0 319.449 3.279 10 0 DGAERO Cc1ncc(CN2CCN(Cc3ccc(F)c(C)c3)CC2)s1 ZINC000120439930 195166450 /nfs/dbraw/zinc/16/64/50/195166450.db2.gz AMPQQJPVBDVMAI-UHFFFAOYSA-N 1 0 319.449 3.217 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc3ccccc3c2)no1 ZINC000120443952 195167388 /nfs/dbraw/zinc/16/73/88/195167388.db2.gz FKDXLGYWQDPSLW-ZDUSSCGKSA-N 1 0 309.369 3.426 10 0 DGAERO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000120448041 195169279 /nfs/dbraw/zinc/16/92/79/195169279.db2.gz OLLBOOQUUGUYII-GFCCVEGCSA-N 1 0 322.412 3.469 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2c[nH]nc2C)c1 ZINC000120640980 195207832 /nfs/dbraw/zinc/20/78/32/195207832.db2.gz SIGFWVWFINAHCY-MRXNPFEDSA-N 1 0 301.390 3.072 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)c1cccc2ncccc21 ZINC000120745839 195228737 /nfs/dbraw/zinc/22/87/37/195228737.db2.gz YQVQYYLZZUTAFS-UHFFFAOYSA-N 1 0 313.445 3.429 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)cc2C)[C@H](C)C1 ZINC000120688177 195216953 /nfs/dbraw/zinc/21/69/53/195216953.db2.gz FCMOZXCZNKNSQK-RHSMWYFYSA-N 1 0 319.449 3.198 10 0 DGAERO CCC(CC)(C[NH2+]Cc1nc2cc(F)ccc2o1)C(=O)OC ZINC000120689671 195217036 /nfs/dbraw/zinc/21/70/36/195217036.db2.gz MIJHGTLMIGPDKS-UHFFFAOYSA-N 1 0 308.353 3.036 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000120720343 195223053 /nfs/dbraw/zinc/22/30/53/195223053.db2.gz YCTIADRZYOLPAY-CJNGLKHVSA-N 1 0 307.413 3.328 10 0 DGAERO Cc1ccc(O)c(C[NH2+]CCc2cccc(Br)c2)n1 ZINC000313694473 285304913 /nfs/dbraw/zinc/30/49/13/285304913.db2.gz FQIYXQRBVDQRBR-UHFFFAOYSA-N 1 0 321.218 3.190 10 0 DGAERO OC[C@@H]([NH2+]Cc1csc(Br)c1)C1CCCC1 ZINC000289622360 221109743 /nfs/dbraw/zinc/10/97/43/221109743.db2.gz SXLYNHGLFXTILL-LLVKDONJSA-N 1 0 304.253 3.151 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000289602176 221094720 /nfs/dbraw/zinc/09/47/20/221094720.db2.gz UZJJRZBTIQQAPL-XMSFRJSPSA-N 1 0 311.372 3.442 10 0 DGAERO Cc1nc(CO[C@H]2CC[NH2+]C[C@H]2Cc2cccc(C)c2)cs1 ZINC000247893888 257114917 /nfs/dbraw/zinc/11/49/17/257114917.db2.gz WNPMPUQORHIOTH-AEFFLSMTSA-N 1 0 316.470 3.497 10 0 DGAERO CO[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1Cc1ccccc1 ZINC000247866736 257115934 /nfs/dbraw/zinc/11/59/34/257115934.db2.gz XXXCGENUPPUXQP-IEBWSBKVSA-N 1 0 314.429 3.371 10 0 DGAERO CCOC(=O)C1=Cc2c(Br)cccc2NC(=[NH2+])C1 ZINC000504719010 257140064 /nfs/dbraw/zinc/14/00/64/257140064.db2.gz QWGQWKMRZIYNSQ-UHFFFAOYSA-N 1 0 309.163 3.188 10 0 DGAERO O=C1CC[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)[C@@H](C2CC2)N1 ZINC000367458243 257236152 /nfs/dbraw/zinc/23/61/52/257236152.db2.gz KCYCLEGQOOJBIJ-UYAOXDASSA-N 1 0 318.420 3.403 10 0 DGAERO CCOc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000071790532 184841605 /nfs/dbraw/zinc/84/16/05/184841605.db2.gz XNWGFNYVKSTZCX-CVEARBPZSA-N 1 0 320.433 3.137 10 0 DGAERO CCC(C)(CC)NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000121046053 195286851 /nfs/dbraw/zinc/28/68/51/195286851.db2.gz WMZFXBQWVVUIJE-UHFFFAOYSA-N 1 0 321.465 3.005 10 0 DGAERO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@H+](CCc2ccccc2)C1 ZINC000121103126 195293416 /nfs/dbraw/zinc/29/34/16/195293416.db2.gz XQIPNTSIWUDLMA-MAUKXSAKSA-N 1 0 303.352 3.315 10 0 DGAERO C[C@]1(C[NH2+]Cc2cncs2)CCCN1Cc1ccccc1 ZINC000121793732 195347917 /nfs/dbraw/zinc/34/79/17/195347917.db2.gz QDULVUIYKJCAIN-QGZVFWFLSA-N 1 0 301.459 3.287 10 0 DGAERO CC1(C)CCC(C[NH2+][C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000122314427 195433133 /nfs/dbraw/zinc/43/31/33/195433133.db2.gz PVTHWJXFKGTNPQ-INIZCTEOSA-N 1 0 302.466 3.251 10 0 DGAERO Cc1ccc([C@@H](C[NH2+]C[C@@H]2CC=CCC2)N2CCOCC2)s1 ZINC000122346888 195437470 /nfs/dbraw/zinc/43/74/70/195437470.db2.gz IEWKHMHIVGGFQF-IAGOWNOFSA-N 1 0 320.502 3.376 10 0 DGAERO CC[C@H]([NH2+]CCc1ccc(OC)cc1Cl)c1cnn(C)c1 ZINC000122864977 195513531 /nfs/dbraw/zinc/51/35/31/195513531.db2.gz ASAHCRHMVZZWMT-INIZCTEOSA-N 1 0 307.825 3.366 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(-c2ccncc2)cc1 ZINC000125774605 195784882 /nfs/dbraw/zinc/78/48/82/195784882.db2.gz DVGKWOCFSHJVRM-AWEZNQCLSA-N 1 0 311.429 3.314 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)C1CCCC1 ZINC000184666853 533349593 /nfs/dbraw/zinc/34/95/93/533349593.db2.gz DDDCRHRPVPJKCL-LLVKDONJSA-N 1 0 312.360 3.395 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(F)c(Br)c1 ZINC000154525886 533419085 /nfs/dbraw/zinc/41/90/85/533419085.db2.gz SXIZMVMNZRYGIR-PWSUYJOCSA-N 1 0 315.230 3.333 10 0 DGAERO Cc1ccc(C(C)(C)C[N@@H+](C)CC(=O)N(C)CC2CC2)cc1 ZINC000441352822 533625466 /nfs/dbraw/zinc/62/54/66/533625466.db2.gz KXZXPNUCOFVFMX-UHFFFAOYSA-N 1 0 302.462 3.073 10 0 DGAERO c1ccc2c(c1)COC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000417369595 285512566 /nfs/dbraw/zinc/51/25/66/285512566.db2.gz SJKNHZVFPRTWMH-GFIVTLFCSA-N 1 0 301.430 3.443 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)CN1CCCC1=O)CCCO2 ZINC000178494291 292010411 /nfs/dbraw/zinc/01/04/11/292010411.db2.gz VHXLUDIVGLAXFD-DOTOQJQBSA-N 1 0 316.445 3.118 10 0 DGAERO Fc1ccc2c(CC[NH2+]Cc3cnn4ccccc34)c[nH]c2c1 ZINC000356897960 285548651 /nfs/dbraw/zinc/54/86/51/285548651.db2.gz JIMSCSXOOLMWIY-UHFFFAOYSA-N 1 0 308.360 3.287 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)s1 ZINC000090403779 545826096 /nfs/dbraw/zinc/82/60/96/545826096.db2.gz LDZOAZDERXLEPC-CJNGLKHVSA-N 1 0 303.475 3.275 10 0 DGAERO Cc1ccc(C)c([C@@H]2CN(C[C@H]3CCC[NH2+]C3)[C@@H](C)CO2)c1 ZINC000261753600 292088202 /nfs/dbraw/zinc/08/82/02/292088202.db2.gz CJBJBSZWVLJMOZ-LNLFQRSKSA-N 1 0 302.462 3.065 10 0 DGAERO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000357630435 285810280 /nfs/dbraw/zinc/81/02/80/285810280.db2.gz GLDYOTAOVMOCAS-UHFFFAOYSA-N 1 0 307.438 3.210 10 0 DGAERO C[C@@H](NC(=O)N1CCC2(C1)CCCCC2)C1CC[NH+](C)CC1 ZINC000608692969 400103837 /nfs/dbraw/zinc/10/38/37/400103837.db2.gz IUGWYGFZBWCHSR-OAHLLOKOSA-N 1 0 307.482 3.083 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1ccccc1 ZINC000066725729 400112516 /nfs/dbraw/zinc/11/25/16/400112516.db2.gz IOUNTEYRKJJEQA-UHFFFAOYSA-N 1 0 310.441 3.339 10 0 DGAERO COc1ccc([C@@](O)(c2ccc(C)cc2)[C@H](C)C[NH+](C)C)cc1 ZINC000003642380 400084251 /nfs/dbraw/zinc/08/42/51/400084251.db2.gz WLPOSYYUWKQTOG-UZLBHIALSA-N 1 0 313.441 3.437 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccnc3ccccc32)Nc2ccccc21 ZINC000616584338 400177517 /nfs/dbraw/zinc/17/75/17/400177517.db2.gz KFAJORZFFKKVTI-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccc2ncccc2c1 ZINC000616584569 400177913 /nfs/dbraw/zinc/17/79/13/400177913.db2.gz HNOYGKMSZMBVEE-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO CCOC(=O)c1ccc([C@@H]2CCc3ccccc3N2CC[NH3+])cc1 ZINC000616594929 400180396 /nfs/dbraw/zinc/18/03/96/400180396.db2.gz SUWPQMVCUDWCSN-IBGZPJMESA-N 1 0 324.424 3.316 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3cccc4ccncc43)C2)cc1 ZINC000616600152 400180946 /nfs/dbraw/zinc/18/09/46/400180946.db2.gz DZKDOIQDQBGVDA-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCOCC[NH2+]1 ZINC000616598186 400181330 /nfs/dbraw/zinc/18/13/30/400181330.db2.gz MGCCFWLYWDQPOO-AWEZNQCLSA-N 1 0 306.406 3.109 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccc2ccncc21 ZINC000616602971 400181360 /nfs/dbraw/zinc/18/13/60/400181360.db2.gz NYZBQOUDGCHARM-MRXNPFEDSA-N 1 0 313.401 3.116 10 0 DGAERO OCCc1ccccc1[C@@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616597144 400181602 /nfs/dbraw/zinc/18/16/02/400181602.db2.gz BIUREIJORGILEM-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO OCCc1ccc([C@@H]2CCOCC[N@@H+]2Cc2ccccc2)cc1 ZINC000616598252 400181891 /nfs/dbraw/zinc/18/18/91/400181891.db2.gz NWUABGKFLFVCQT-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2coc3ccccc23)cnn1C ZINC000328621504 400182831 /nfs/dbraw/zinc/18/28/31/400182831.db2.gz HTKRSHJRXSLJHY-FUHWJXTLSA-N 1 0 311.385 3.095 10 0 DGAERO Clc1ccc(CN(Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328624877 400182841 /nfs/dbraw/zinc/18/28/41/400182841.db2.gz CSCSCYYUJYHWQD-QGZVFWFLSA-N 1 0 315.848 3.347 10 0 DGAERO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328656006 400184039 /nfs/dbraw/zinc/18/40/39/400184039.db2.gz YXZWEESOOWUIFP-SZMVWBNQSA-N 1 0 320.456 3.114 10 0 DGAERO C[C@H]1C[NH2+][C@H](c2cccc(I)c2)S1 ZINC000306677359 400125624 /nfs/dbraw/zinc/12/56/24/400125624.db2.gz YPOUETBLQWNTJL-XVKPBYJWSA-N 1 0 305.184 3.015 10 0 DGAERO C[C@H]1C[NH2+][C@H](c2ccc(I)cc2)S1 ZINC000306823471 400127255 /nfs/dbraw/zinc/12/72/55/400127255.db2.gz SXFBRSRYNMDLCJ-XVKPBYJWSA-N 1 0 305.184 3.015 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000600717856 400135807 /nfs/dbraw/zinc/13/58/07/400135807.db2.gz COEMJDWXCYTXGP-IBGZPJMESA-N 1 0 314.473 3.330 10 0 DGAERO CC1(C)C[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000585812276 400145131 /nfs/dbraw/zinc/14/51/31/400145131.db2.gz VGDMAWKAZKKSBX-GFCCVEGCSA-N 1 0 311.223 3.166 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000616621741 400186981 /nfs/dbraw/zinc/18/69/81/400186981.db2.gz XHKBCVXQRRHSER-OAHLLOKOSA-N 1 0 320.433 3.205 10 0 DGAERO c1ccc2c(c1)[nH]c1c2CC[NH2+][C@H]1c1ccc2c(c1)OCCO2 ZINC000019688788 400187025 /nfs/dbraw/zinc/18/70/25/400187025.db2.gz SCFGMROFCOHJQC-SFHVURJKSA-N 1 0 306.365 3.174 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](C(F)(F)F)CC1 ZINC000616627763 400187610 /nfs/dbraw/zinc/18/76/10/400187610.db2.gz LAGJWIMQGFVROF-NSHDSACASA-N 1 0 310.360 3.176 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2ccccn2)C1 ZINC000616628334 400188330 /nfs/dbraw/zinc/18/83/30/400188330.db2.gz JKRVNWHVFYNUQG-OAHLLOKOSA-N 1 0 319.449 3.176 10 0 DGAERO CCc1nnc([C@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000601067096 400220302 /nfs/dbraw/zinc/22/03/02/400220302.db2.gz INNRWXZYDHLWNE-JKSUJKDBSA-N 1 0 320.481 3.281 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc2ncccc2c1 ZINC000616635145 400189656 /nfs/dbraw/zinc/18/96/56/400189656.db2.gz BWOQGSYFGRTAHU-INIZCTEOSA-N 1 0 313.401 3.116 10 0 DGAERO CCN1CCOC[C@H]1c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000616642038 400191714 /nfs/dbraw/zinc/19/17/14/400191714.db2.gz TVMDRFUKSDXHSD-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1C[N@H+](C)CCCO1 ZINC000616652651 400193842 /nfs/dbraw/zinc/19/38/42/400193842.db2.gz UFLXDMFDTVCNGB-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO CCOC(=O)c1cccc([C@H]2CCOCC[N@@H+]2C(C)(C)C)c1 ZINC000616655660 400194540 /nfs/dbraw/zinc/19/45/40/400194540.db2.gz KHKARKVKEKQYNV-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO C[N@@H+]1CCOC[C@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616657155 400194606 /nfs/dbraw/zinc/19/46/06/400194606.db2.gz ALNYQOFPEMVXDF-CYBMUJFWSA-N 1 0 306.406 3.079 10 0 DGAERO CCOC(=O)c1cccc([C@H]2CC[N@@H+](C(C)(C)C)CCO2)c1 ZINC000616666309 400197089 /nfs/dbraw/zinc/19/70/89/400197089.db2.gz NQZVXCYKYVJVTB-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1ccc2cnccc2c1 ZINC000616678663 400200568 /nfs/dbraw/zinc/20/05/68/400200568.db2.gz KZSQGMNPEOWKIW-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1cccc2cnccc21 ZINC000616678405 400200685 /nfs/dbraw/zinc/20/06/85/400200685.db2.gz HPFIQWJGYJIEKU-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccc2ccccc2n1 ZINC000616683437 400202999 /nfs/dbraw/zinc/20/29/99/400202999.db2.gz RDWQWUROMGWSRJ-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccnc2ccccc21 ZINC000616691707 400206609 /nfs/dbraw/zinc/20/66/09/400206609.db2.gz KKJPCSTUYQBBLL-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO C[N@H+](CCNc1cc(C#N)c2ccccc2n1)Cc1ccccc1 ZINC000386740154 400262939 /nfs/dbraw/zinc/26/29/39/400262939.db2.gz XZZZLPBZSBMAMJ-UHFFFAOYSA-N 1 0 316.408 3.072 10 0 DGAERO OC1CCC(C[NH2+]Cc2ccsc2Br)CC1 ZINC000388389370 400266078 /nfs/dbraw/zinc/26/60/78/400266078.db2.gz ARWJDUAIEODEAQ-UHFFFAOYSA-N 1 0 304.253 3.151 10 0 DGAERO CCC(CC)[C@@H](O)C[NH2+]Cc1ccsc1Br ZINC000388732366 400267712 /nfs/dbraw/zinc/26/77/12/400267712.db2.gz FDNYROMSQDSJIX-NSHDSACASA-N 1 0 306.269 3.397 10 0 DGAERO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccsc1Br ZINC000388766788 400268079 /nfs/dbraw/zinc/26/80/79/400268079.db2.gz YMWJDJDOHVJZOV-SNVBAGLBSA-N 1 0 306.269 3.397 10 0 DGAERO Cc1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1Br ZINC000398530320 400286636 /nfs/dbraw/zinc/28/66/36/400286636.db2.gz GZLAFUSYDVPERK-CQSZACIVSA-N 1 0 300.240 3.254 10 0 DGAERO c1csc(C[NH+]2CCC(OCc3nc(C4CC4)no3)CC2)c1 ZINC000097942481 400287713 /nfs/dbraw/zinc/28/77/13/400287713.db2.gz SFOLBTGMVGZMFY-UHFFFAOYSA-N 1 0 319.430 3.190 10 0 DGAERO C[C@@H]1C[C@@H](CC(=O)Nc2cnn(CC[NH+](C)C)c2)CC(C)(C)C1 ZINC000589347710 400291175 /nfs/dbraw/zinc/29/11/75/400291175.db2.gz KAVQYDXOJUEYRZ-CABCVRRESA-N 1 0 320.481 3.236 10 0 DGAERO COC1([C@H](C)[NH2+]CC2(Cc3ccccc3)CC2)CCOCC1 ZINC000453181275 292145054 /nfs/dbraw/zinc/14/50/54/292145054.db2.gz WHEKTGCWTHJFKV-INIZCTEOSA-N 1 0 303.446 3.183 10 0 DGAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccsc2)CC12CCCCC2 ZINC000409420177 400301584 /nfs/dbraw/zinc/30/15/84/400301584.db2.gz BBZUQCRFXBMRLG-MRXNPFEDSA-N 1 0 320.502 3.261 10 0 DGAERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1Br ZINC000029577339 400311025 /nfs/dbraw/zinc/31/10/25/400311025.db2.gz HUKYYUSLRLVQHY-GHMZBOCLSA-N 1 0 313.239 3.410 10 0 DGAERO c1cnc2cc(C[NH2+]Cc3ccc4c(c3)OCCO4)ccc2c1 ZINC000589635360 400311630 /nfs/dbraw/zinc/31/16/30/400311630.db2.gz SEZUYVVEHFUKST-UHFFFAOYSA-N 1 0 306.365 3.296 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]CCN1CCCCC1)c1ccccc1 ZINC000611404836 400394478 /nfs/dbraw/zinc/39/44/78/400394478.db2.gz RVOJIQJCIHIXPN-KRWDZBQOSA-N 1 0 318.461 3.002 10 0 DGAERO CSCCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000069446716 400329956 /nfs/dbraw/zinc/32/99/56/400329956.db2.gz ATWYHXKEXQVVMC-JTQLQIEISA-N 1 0 324.273 3.076 10 0 DGAERO CCC[N@@H+](CC(=O)Nc1ccc(C)cc1)C[C@H]1CCCCO1 ZINC000106867542 400330773 /nfs/dbraw/zinc/33/07/73/400330773.db2.gz WXHOPIDILYGFLO-QGZVFWFLSA-N 1 0 304.434 3.215 10 0 DGAERO CCC[N@@H+](CC(=O)Nc1ccc(C)cc1)C[C@@H]1CCCCO1 ZINC000106867540 400331010 /nfs/dbraw/zinc/33/10/10/400331010.db2.gz WXHOPIDILYGFLO-KRWDZBQOSA-N 1 0 304.434 3.215 10 0 DGAERO Cc1cccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107830990 400337854 /nfs/dbraw/zinc/33/78/54/400337854.db2.gz KAIMUQXAMFBPML-GOSISDBHSA-N 1 0 315.461 3.155 10 0 DGAERO CC(C)COc1ccc(C(C)(C)[NH2+]CC(=O)NC(C)(C)C)cc1 ZINC000107900092 400338285 /nfs/dbraw/zinc/33/82/85/400338285.db2.gz JBVOXWZWQDISKQ-UHFFFAOYSA-N 1 0 320.477 3.461 10 0 DGAERO C[C@H]1C[C@H](c2cc(Br)c(Br)o2)C[NH2+]1 ZINC000070586639 400353574 /nfs/dbraw/zinc/35/35/74/400353574.db2.gz QDNHBMMATQZODG-WDSKDSINSA-N 1 0 309.001 3.270 10 0 DGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000037166162 400393804 /nfs/dbraw/zinc/39/38/04/400393804.db2.gz NMBUTHAPWJSXKN-HIFRSBDPSA-N 1 0 306.406 3.342 10 0 DGAERO COc1ccc2c(c1)[C@@]13CCCO[C@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000039649061 400398858 /nfs/dbraw/zinc/39/88/58/400398858.db2.gz BPYYUUFHWJJCDW-AABGKKOBSA-N 1 0 313.441 3.152 10 0 DGAERO CCC[C@@H]([NH3+])C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000040855215 400402924 /nfs/dbraw/zinc/40/29/24/400402924.db2.gz GWADOGZDSXEZSF-HIFRSBDPSA-N 1 0 306.406 3.220 10 0 DGAERO CCC[C@H]([NH3+])C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000040855217 400403149 /nfs/dbraw/zinc/40/31/49/400403149.db2.gz GWADOGZDSXEZSF-DZGCQCFKSA-N 1 0 306.406 3.220 10 0 DGAERO O=C1N(c2ccc(C3CC3)cc2Cl)CCC12CC[NH2+]CC2 ZINC000117605343 400419716 /nfs/dbraw/zinc/41/97/16/400419716.db2.gz MFKQPLKBVBPUNC-UHFFFAOYSA-N 1 0 304.821 3.324 10 0 DGAERO O[C@H](C[NH2+]CCc1ccccc1)c1ccc(Br)cc1 ZINC000118575161 400429197 /nfs/dbraw/zinc/42/91/97/400429197.db2.gz GPTSCRQCKYZFLT-MRXNPFEDSA-N 1 0 320.230 3.315 10 0 DGAERO C[C@H](O)C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000119717913 400438519 /nfs/dbraw/zinc/43/85/19/400438519.db2.gz MKVMPEHFTAFBCE-NSHDSACASA-N 1 0 318.244 3.465 10 0 DGAERO Brc1ccc(-c2nnc(C[NH2+]C3CCCC3)[nH]2)cc1 ZINC000119726931 400438704 /nfs/dbraw/zinc/43/87/04/400438704.db2.gz ZRGGFVDIFSZTAY-UHFFFAOYSA-N 1 0 321.222 3.266 10 0 DGAERO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000073619576 400459851 /nfs/dbraw/zinc/45/98/51/400459851.db2.gz LHDDLDBHLYANAZ-JKSUJKDBSA-N 1 0 320.477 3.392 10 0 DGAERO CCOc1c(OC)cc(C[NH2+]Cc2cccnc2C)cc1OC ZINC000590882155 400453486 /nfs/dbraw/zinc/45/34/86/400453486.db2.gz BLVILTOGDUYDEC-UHFFFAOYSA-N 1 0 316.401 3.096 10 0 DGAERO CCCN(CC[NH+](C)C)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000591285437 400506552 /nfs/dbraw/zinc/50/65/52/400506552.db2.gz RDGMMVFTCIPCSJ-UHFFFAOYSA-N 1 0 307.825 3.235 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000134441703 400576998 /nfs/dbraw/zinc/57/69/98/400576998.db2.gz NOCUNAZQVWWHAB-DLBZAZTESA-N 1 0 308.853 3.101 10 0 DGAERO CC(C)[C@@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000074793034 400537760 /nfs/dbraw/zinc/53/77/60/400537760.db2.gz ZOUALEBCOADYFY-CSNJMZFVSA-N 1 0 321.509 3.469 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000132651079 400561328 /nfs/dbraw/zinc/56/13/28/400561328.db2.gz OYEGRIOUSKAFNR-QGZVFWFLSA-N 1 0 319.445 3.436 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC([NH2+]Cc3ccccc3)C[C@H]2C1 ZINC000140494022 400619388 /nfs/dbraw/zinc/61/93/88/400619388.db2.gz YIZIAOOGEHHUIX-HOTGVXAUSA-N 1 0 316.445 3.422 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000075977755 400624388 /nfs/dbraw/zinc/62/43/88/400624388.db2.gz NUBXKHBHOTZGSH-QAPCUYQASA-N 1 0 315.461 3.126 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000075981661 400625552 /nfs/dbraw/zinc/62/55/52/400625552.db2.gz LEKFKLKLGQVTEY-RVKKMQEKSA-N 1 0 315.461 3.126 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000075510634 400589957 /nfs/dbraw/zinc/58/99/57/400589957.db2.gz MHVNTFNECCYASJ-HNAYVOBHSA-N 1 0 308.425 3.457 10 0 DGAERO CO[C@H](C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309752570 285951540 /nfs/dbraw/zinc/95/15/40/285951540.db2.gz AEJPJSDYAXRKSD-QLFBSQMISA-N 1 0 314.470 3.037 10 0 DGAERO COc1ccc2[nH+]c(N)n(-c3ccc(Br)cc3)c2c1 ZINC000148156980 400654449 /nfs/dbraw/zinc/65/44/49/400654449.db2.gz IVOROPGUOSFGPU-UHFFFAOYSA-N 1 0 318.174 3.379 10 0 DGAERO c1nncn1CC1CC[NH+](CCSC2CCCCC2)CC1 ZINC000593077605 400754590 /nfs/dbraw/zinc/75/45/90/400754590.db2.gz MWVLMOATBHHJJF-UHFFFAOYSA-N 1 0 308.495 3.056 10 0 DGAERO CC[NH+](CC)[C@H](C(=O)Nc1ccc2nccn2c1)c1ccccc1 ZINC000603808613 400717061 /nfs/dbraw/zinc/71/70/61/400717061.db2.gz FWNRKTLHCRJODN-SFHVURJKSA-N 1 0 322.412 3.356 10 0 DGAERO CCc1nc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cs1 ZINC000171649026 400804034 /nfs/dbraw/zinc/80/40/34/400804034.db2.gz GEELZRRMWXMPFS-UHFFFAOYSA-N 1 0 318.446 3.089 10 0 DGAERO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000054292174 400816880 /nfs/dbraw/zinc/81/68/80/400816880.db2.gz NPROSSDOASPIMF-NSHDSACASA-N 1 0 300.324 3.342 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307668 400817619 /nfs/dbraw/zinc/81/76/19/400817619.db2.gz HQYDSBFXGZTDGK-LLVKDONJSA-N 1 0 315.244 3.342 10 0 DGAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307910 400817714 /nfs/dbraw/zinc/81/77/14/400817714.db2.gz HUUYRTANQJBIEI-CQSZACIVSA-N 1 0 308.853 3.467 10 0 DGAERO CC[C@@H](C)[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000169678754 400759020 /nfs/dbraw/zinc/75/90/20/400759020.db2.gz QNWHSHRWOQWYRB-CZUORRHYSA-N 1 0 315.404 3.351 10 0 DGAERO CCc1ccc(CC[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000604385768 400771096 /nfs/dbraw/zinc/77/10/96/400771096.db2.gz BDUWLELEIVOAHJ-UHFFFAOYSA-N 1 0 314.473 3.126 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cc2ccccc2o1 ZINC000171610289 400803070 /nfs/dbraw/zinc/80/30/70/400803070.db2.gz XMYWJYNCHPFXEB-SFHVURJKSA-N 1 0 322.408 3.222 10 0 DGAERO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](C)C(C)C)CC1 ZINC000172507229 400830600 /nfs/dbraw/zinc/83/06/00/400830600.db2.gz CXHJIWRUKQHVIP-INIZCTEOSA-N 1 0 311.514 3.432 10 0 DGAERO C[C@H]1CC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@H](C)C1 ZINC000172514995 400831841 /nfs/dbraw/zinc/83/18/41/400831841.db2.gz NCUWQWLWLLNNIO-HZPDHXFCSA-N 1 0 321.509 3.329 10 0 DGAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1ccc(Br)cc1 ZINC000054686267 400835328 /nfs/dbraw/zinc/83/53/28/400835328.db2.gz ZJTALAYYEJWHLM-LSDHHAIUSA-N 1 0 306.203 3.053 10 0 DGAERO CCCCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(C)C ZINC000181466908 400888923 /nfs/dbraw/zinc/88/89/23/400888923.db2.gz BZFNZLQHKQMEGB-IRXDYDNUSA-N 1 0 324.509 3.207 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC000173969805 400851110 /nfs/dbraw/zinc/85/11/10/400851110.db2.gz BVJYKVGPXMCYNV-ZDUSSCGKSA-N 1 0 306.372 3.075 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000174423085 400856400 /nfs/dbraw/zinc/85/64/00/400856400.db2.gz IDNMXRXDRDRNEE-FQEVSTJZSA-N 1 0 318.505 3.428 10 0 DGAERO COC(C)(C)C[C@H](C)[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000174555352 400859565 /nfs/dbraw/zinc/85/95/65/400859565.db2.gz BWRDKUNWTLJWSK-ZDUSSCGKSA-N 1 0 304.438 3.305 10 0 DGAERO CC[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1nccs1 ZINC000080269122 400937247 /nfs/dbraw/zinc/93/72/47/400937247.db2.gz XIJKCAVAECBUMV-ZIAGYGMSSA-N 1 0 303.431 3.191 10 0 DGAERO C[C@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000080352906 400943540 /nfs/dbraw/zinc/94/35/40/400943540.db2.gz LOQBADOUKLOODM-HNNXBMFYSA-N 1 0 324.424 3.391 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCC(CC[NH+](C)C)CC2)o1 ZINC000056799005 400947834 /nfs/dbraw/zinc/94/78/34/400947834.db2.gz CTWGXFCWGLVQHZ-CQSZACIVSA-N 1 0 307.438 3.022 10 0 DGAERO C[C@@H]1CCC[N@@H+]1CCc1cn2ccc(Br)cc2n1 ZINC000198817274 400935730 /nfs/dbraw/zinc/93/57/30/400935730.db2.gz AXGCCTUAEZFFSZ-LLVKDONJSA-N 1 0 308.223 3.124 10 0 DGAERO Fc1ccc(I)cc1[C@H]1CCCC[NH2+]1 ZINC000238642712 400999184 /nfs/dbraw/zinc/99/91/84/400999184.db2.gz GKHCFCGKMFTISQ-LLVKDONJSA-N 1 0 305.134 3.245 10 0 DGAERO CC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620193056 401009703 /nfs/dbraw/zinc/00/97/03/401009703.db2.gz YUIFKQDJTYSLME-KRWDZBQOSA-N 1 0 314.473 3.451 10 0 DGAERO CC1=[N+]([O-])[C@](C)(c2ccccc2)[N+](O)=C1c1ccc(Cl)cc1 ZINC000225412869 400956827 /nfs/dbraw/zinc/95/68/27/400956827.db2.gz IKRVXSPXMJUBCW-KRWDZBQOSA-N 1 0 316.788 3.280 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)COCc2ccco2)cc1 ZINC000247275452 401048741 /nfs/dbraw/zinc/04/87/41/401048741.db2.gz CNZSHUOVXNOMAO-SJLPKXTDSA-N 1 0 317.429 3.029 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccccc2Cl)[C@@H](C)C1 ZINC000247289465 401050151 /nfs/dbraw/zinc/05/01/51/401050151.db2.gz GINRTQRZDFEZPG-YOEHRIQHSA-N 1 0 322.880 3.461 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000247320906 401051211 /nfs/dbraw/zinc/05/12/11/401051211.db2.gz IAEVLBIPNMCWJG-RDJZCZTQSA-N 1 0 303.450 3.038 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000247382560 401053058 /nfs/dbraw/zinc/05/30/58/401053058.db2.gz LOKFSARCXORPLV-DZGCQCFKSA-N 1 0 320.502 3.429 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000247382567 401053489 /nfs/dbraw/zinc/05/34/89/401053489.db2.gz LOKFSARCXORPLV-ZFWWWQNUSA-N 1 0 320.502 3.429 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000247484663 401056457 /nfs/dbraw/zinc/05/64/57/401056457.db2.gz TVJMIBORTKWYRY-BPQIPLTHSA-N 1 0 306.494 3.439 10 0 DGAERO c1ccc(C[N@H+](CCOC2CCOCC2)CC2CCC2)cc1 ZINC000625102813 401029954 /nfs/dbraw/zinc/02/99/54/401029954.db2.gz IQTCQUGOQXVEHK-UHFFFAOYSA-N 1 0 303.446 3.484 10 0 DGAERO C[C@H](CCc1ccccc1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247179087 401047352 /nfs/dbraw/zinc/04/73/52/401047352.db2.gz BGIATNVRNICHKZ-QUCCMNQESA-N 1 0 316.489 3.194 10 0 DGAERO Cc1ccc(N2CCC[N@H+](C/C=C\c3ccccc3)CC2)nn1 ZINC000255047461 401101900 /nfs/dbraw/zinc/10/19/00/401101900.db2.gz WTFCGKFRNHGTFX-UITAMQMPSA-N 1 0 308.429 3.011 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cc(Cl)ccc23)CC[N@@H+]1C ZINC000607689690 401104340 /nfs/dbraw/zinc/10/43/40/401104340.db2.gz ITRVLVORJZGVPC-PWSUYJOCSA-N 1 0 305.809 3.034 10 0 DGAERO CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262463916 401118229 /nfs/dbraw/zinc/11/82/29/401118229.db2.gz LKKZFPXWERUHMZ-XKQJLSEDSA-N 1 0 312.413 3.312 10 0 DGAERO CC[C@@H]1CN(Cc2ccncc2Br)C[C@H](CC)O1 ZINC000625477209 401139932 /nfs/dbraw/zinc/13/99/32/401139932.db2.gz COBIAMMXCXSZSP-BETUJISGSA-N 1 0 313.239 3.234 10 0 DGAERO COC[C@H](C)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000249958931 401090378 /nfs/dbraw/zinc/09/03/78/401090378.db2.gz WCBKZQZCRYDRMZ-ZIAGYGMSSA-N 1 0 308.491 3.484 10 0 DGAERO Cc1ccccc1SCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000061553610 401158303 /nfs/dbraw/zinc/15/83/03/401158303.db2.gz QHKCPAWJXGLMQD-UHFFFAOYSA-N 1 0 320.502 3.325 10 0 DGAERO Cc1ccc(-c2noc(CN3CCC[C@H]([NH2+]C(C)C)C3)n2)cc1 ZINC000594739500 401165882 /nfs/dbraw/zinc/16/58/82/401165882.db2.gz UHQSFEOZJOHLLK-INIZCTEOSA-N 1 0 314.433 3.007 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC2(CC2)c2ccccc21 ZINC000358275808 286018236 /nfs/dbraw/zinc/01/82/36/286018236.db2.gz NTLWBSSXZBVAAP-OAHLLOKOSA-N 1 0 313.445 3.122 10 0 DGAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358301907 286025523 /nfs/dbraw/zinc/02/55/23/286025523.db2.gz PPRWXQUMEIRTTQ-HLLBOEOZSA-N 1 0 323.431 3.460 10 0 DGAERO Brc1ccc2ncc(C[NH2+]CCCC3CC3)n2c1 ZINC000608057600 401177635 /nfs/dbraw/zinc/17/76/35/401177635.db2.gz QGPJKUKHDFJYHI-UHFFFAOYSA-N 1 0 308.223 3.377 10 0 DGAERO c1cc(OCCC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc2c1OCO2 ZINC000625775845 401213792 /nfs/dbraw/zinc/21/37/92/401213792.db2.gz WKBXXYXHIKXLKV-CABCVRRESA-N 1 0 321.442 3.154 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2Cc3ccccc3[C@@H]2C)C1 ZINC000621433143 401213908 /nfs/dbraw/zinc/21/39/08/401213908.db2.gz IMDMWQYWHACQHO-GRDNDAEWSA-N 1 0 301.434 3.002 10 0 DGAERO CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@H](C)c1cccc(OC)c1 ZINC000065432688 401265359 /nfs/dbraw/zinc/26/53/59/401265359.db2.gz FSIHTRFNKSJTDT-GDBMZVCRSA-N 1 0 309.450 3.254 10 0 DGAERO c1cc2c(cccc2N2CC[NH+](CCC[C@@H]3CCOC3)CC2)[nH]1 ZINC000625979136 401271246 /nfs/dbraw/zinc/27/12/46/401271246.db2.gz PLQFMALAYQNOCB-MRXNPFEDSA-N 1 0 313.445 3.107 10 0 DGAERO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000358361109 286041602 /nfs/dbraw/zinc/04/16/02/286041602.db2.gz WAWLHTNAIOKEQG-NOLJZWGESA-N 1 0 324.415 3.305 10 0 DGAERO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000358361107 286041704 /nfs/dbraw/zinc/04/17/04/286041704.db2.gz WAWLHTNAIOKEQG-DUVNUKRYSA-N 1 0 324.415 3.305 10 0 DGAERO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)ncn1 ZINC000089652009 401233826 /nfs/dbraw/zinc/23/38/26/401233826.db2.gz ASKRXVDKOZWQJD-GOEBONIOSA-N 1 0 302.809 3.296 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)C1 ZINC000621742085 401292328 /nfs/dbraw/zinc/29/23/28/401292328.db2.gz ACJPNLNGYBAKHX-KBXCAEBGSA-N 1 0 309.413 3.020 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)c2ccccc21 ZINC000621765221 401297708 /nfs/dbraw/zinc/29/77/08/401297708.db2.gz UHHFZTXMQHYURF-DZGCQCFKSA-N 1 0 308.372 3.365 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)c2ccccc2C1 ZINC000621768818 401298378 /nfs/dbraw/zinc/29/83/78/401298378.db2.gz VMYMYVZSPDJPIO-GDBMZVCRSA-N 1 0 308.372 3.115 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]Cc3ccnn3CC3CCC3)cc2)c1 ZINC000631040781 401375457 /nfs/dbraw/zinc/37/54/57/401375457.db2.gz HHLFHVBTSYDDBT-UHFFFAOYSA-N 1 0 321.428 3.159 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(Br)c1Cl)C(C)(C)O ZINC000631060213 401381153 /nfs/dbraw/zinc/38/11/53/401381153.db2.gz UMCPXNMSSRHIFF-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(F)c(Cl)c1 ZINC000634955758 401388107 /nfs/dbraw/zinc/38/81/07/401388107.db2.gz PFKYSKSAJIDIPP-PWSUYJOCSA-N 1 0 319.829 3.097 10 0 DGAERO c1ccc(COCc2ccccc2CNCC23CC(C2)C[NH2+]3)cc1 ZINC000634995564 401397962 /nfs/dbraw/zinc/39/79/62/401397962.db2.gz IMGYPQNSFVVNLI-UHFFFAOYSA-N 1 0 322.452 3.245 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccncc2Br)C[C@H](C)O1 ZINC000631125509 401402710 /nfs/dbraw/zinc/40/27/10/401402710.db2.gz ARQMGEYUUFGCQC-ZSBIGDGJSA-N 1 0 313.239 3.137 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3cc[nH]c3)[C@H]21 ZINC000631193217 401421794 /nfs/dbraw/zinc/42/17/94/401421794.db2.gz NPHVUZPXHDFAED-CFVMTHIKSA-N 1 0 303.203 3.205 10 0 DGAERO c1cc2ncnc(N3CCCC[C@H]([NH+]4CCCC4)C3)c2s1 ZINC000264636363 296610477 /nfs/dbraw/zinc/61/04/77/296610477.db2.gz UYPBXDODNJTTFS-ZDUSSCGKSA-N 1 0 302.447 3.146 10 0 DGAERO c1c(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)nn2c1CCCC2 ZINC000631245513 401436325 /nfs/dbraw/zinc/43/63/25/401436325.db2.gz QRSUEGIIHSIYKD-KRWDZBQOSA-N 1 0 303.450 3.048 10 0 DGAERO c1cn(-c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)cc2)cn1 ZINC000631253965 401438176 /nfs/dbraw/zinc/43/81/76/401438176.db2.gz MPVCSUGZZOKSHC-MOPGFXCFSA-N 1 0 311.429 3.310 10 0 DGAERO c1cnn(-c2cccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)c2)c1 ZINC000631256987 401439784 /nfs/dbraw/zinc/43/97/84/401439784.db2.gz YSFNYCNUWOPZHJ-OALUTQOASA-N 1 0 311.429 3.310 10 0 DGAERO c1cn(-c2ccccc2)nc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000631256886 401439840 /nfs/dbraw/zinc/43/98/40/401439840.db2.gz YIBSAMOXKLSSKY-RTBURBONSA-N 1 0 311.429 3.310 10 0 DGAERO c1cc2n(n1)CCC[C@@H]2NCc1csc(-c2ccccn2)n1 ZINC000631300214 401447491 /nfs/dbraw/zinc/44/74/91/401447491.db2.gz BRRQDVBBBZMQFJ-ZDUSSCGKSA-N 1 0 311.414 3.026 10 0 DGAERO OCC[N@H+](CCOc1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC000358453748 286066810 /nfs/dbraw/zinc/06/68/10/286066810.db2.gz NHRBVAAZTQSTPS-LJQANCHMSA-N 1 0 315.388 3.186 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@H]3CCCOCC3)[C@H]21 ZINC000631665268 401529596 /nfs/dbraw/zinc/52/95/96/401529596.db2.gz QBZOBMJMTULQSS-CEFQPYBMSA-N 1 0 322.246 3.246 10 0 DGAERO Brc1ccc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631885900 401563708 /nfs/dbraw/zinc/56/37/08/401563708.db2.gz CLCVEJYMMABAMK-PWSUYJOCSA-N 1 0 315.280 3.085 10 0 DGAERO Fc1cccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1Br ZINC000623755136 401576738 /nfs/dbraw/zinc/57/67/38/401576738.db2.gz ZRKKNLSRQYPEHG-YPMHNXCESA-N 1 0 314.198 3.245 10 0 DGAERO CO[C@](C)(C[NH2+]C[C@@]1(C)CCCS1)COCc1ccccc1 ZINC000628337949 401578250 /nfs/dbraw/zinc/57/82/50/401578250.db2.gz VQFJWRCYRKZPFH-QZTJIDSGSA-N 1 0 323.502 3.484 10 0 DGAERO O[C@@H](CC[NH2+][C@@H]1CCc2ccc(Br)cc21)C(F)F ZINC000631702710 401540432 /nfs/dbraw/zinc/54/04/32/401540432.db2.gz RUGYFKHEIDAVPH-NEPJUHHUSA-N 1 0 320.177 3.042 10 0 DGAERO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Br)cs1 ZINC000631703586 401540845 /nfs/dbraw/zinc/54/08/45/401540845.db2.gz UBPANFZUNFVRHM-XPUUQOCRSA-N 1 0 314.195 3.177 10 0 DGAERO c1cc(C[NH2+][C@H]2CCCSCC2)cc(N2CCSCC2)n1 ZINC000631723648 401544700 /nfs/dbraw/zinc/54/47/00/401544700.db2.gz KAKRENNGYICCNW-HNNXBMFYSA-N 1 0 323.531 3.010 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c2c(c1)COCC2 ZINC000631729091 401545948 /nfs/dbraw/zinc/54/59/48/401545948.db2.gz GTWVOIBRUGKINB-DFQSSKMNSA-N 1 0 315.457 3.444 10 0 DGAERO CC(=O)N1CC[N@H+](C[C@@]2(C)CCCS2)CC12CCCCC2 ZINC000628189784 401546228 /nfs/dbraw/zinc/54/62/28/401546228.db2.gz MXOBFICZNHPUBS-MRXNPFEDSA-N 1 0 310.507 3.139 10 0 DGAERO CC1(C)OCC[C@H]1C[NH2+]Cc1ccsc1Br ZINC000623574461 401548773 /nfs/dbraw/zinc/54/87/73/401548773.db2.gz OQYSKQUTWKMCDE-JTQLQIEISA-N 1 0 304.253 3.415 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+]Cc1nc3c(s1)CCCC3)C2 ZINC000623602638 401554210 /nfs/dbraw/zinc/55/42/10/401554210.db2.gz YRHOCMZWTCVTMB-HNNXBMFYSA-N 1 0 314.454 3.253 10 0 DGAERO Cc1ncc(C[NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)o1 ZINC000628239800 401558296 /nfs/dbraw/zinc/55/82/96/401558296.db2.gz FRVPRUWZHQYLMM-SFHVURJKSA-N 1 0 301.434 3.229 10 0 DGAERO Cc1nc(C)c(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)o1 ZINC000628242131 401558946 /nfs/dbraw/zinc/55/89/46/401558946.db2.gz SQGYUILYOBCUBF-IBGZPJMESA-N 1 0 313.445 3.436 10 0 DGAERO O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632854794 401632184 /nfs/dbraw/zinc/63/21/84/401632184.db2.gz LPAYHGYXWBZXND-IINYFYTJSA-N 1 0 313.228 3.208 10 0 DGAERO c1n[nH]cc1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000624216163 401639827 /nfs/dbraw/zinc/63/98/27/401639827.db2.gz VGSRHAHHZHRQEP-UHFFFAOYSA-N 1 0 313.401 3.130 10 0 DGAERO CO[C@](C)(C[NH2+][C@H](C)[C@H]1CCCCO1)COCc1ccccc1 ZINC000624012405 401612905 /nfs/dbraw/zinc/61/29/05/401612905.db2.gz ZNXOKNAMMNHFRJ-BHIYHBOVSA-N 1 0 321.461 3.156 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000628545192 401614351 /nfs/dbraw/zinc/61/43/51/401614351.db2.gz CINOEFHJBCGSNV-YJBOKZPZSA-N 1 0 322.493 3.295 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000624308686 401649215 /nfs/dbraw/zinc/64/92/15/401649215.db2.gz UNMJEUZGOMBQQY-ZBINZKHDSA-N 1 0 310.235 3.451 10 0 DGAERO c1ccc(-c2ncc3c(n2)CC[C@@H]([NH2+]Cc2cccnc2)C3)cc1 ZINC000624477639 401664126 /nfs/dbraw/zinc/66/41/26/401664126.db2.gz WZJNXMCHYAZIEZ-GOSISDBHSA-N 1 0 316.408 3.186 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N([C@H](C)c2ccco2)C2CC2)CC1 ZINC000358647937 286116784 /nfs/dbraw/zinc/11/67/84/286116784.db2.gz KYTSTNLLNRROIC-OAHLLOKOSA-N 1 0 317.433 3.167 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](c2cccs2)C2CC2)CC1 ZINC000358673328 286120990 /nfs/dbraw/zinc/12/09/90/286120990.db2.gz XSNBAPVCVYZSTC-MRXNPFEDSA-N 1 0 319.474 3.150 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000358785372 286153570 /nfs/dbraw/zinc/15/35/70/286153570.db2.gz ZYNGEOWNVXISKS-UONOGXRCSA-N 1 0 302.409 3.193 10 0 DGAERO C[C@H](CSc1nnc(-c2cccs2)n1C1CC1)[NH+](C)C ZINC000358851745 286169586 /nfs/dbraw/zinc/16/95/86/286169586.db2.gz IEHNJCZHSXSQGC-SNVBAGLBSA-N 1 0 308.476 3.384 10 0 DGAERO C[C@H](CSc1nc(C2CC2)n(-c2ccccc2)n1)[NH+](C)C ZINC000358863727 286171990 /nfs/dbraw/zinc/17/19/90/286171990.db2.gz RKKYKGOXWKWSOA-GFCCVEGCSA-N 1 0 302.447 3.187 10 0 DGAERO c1cn(CCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)cn1 ZINC000358924554 286188781 /nfs/dbraw/zinc/18/87/81/286188781.db2.gz DRYOTOSFBSVRSP-SFHVURJKSA-N 1 0 321.428 3.126 10 0 DGAERO CCO[C@@H](CC[NH2+][C@@H](C)C1(OC)CCOCC1)C1CCCC1 ZINC000453127381 286200182 /nfs/dbraw/zinc/20/01/82/286200182.db2.gz IYOJKFRQDXKGBT-RDJZCZTQSA-N 1 0 313.482 3.146 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](OC)c1ccc(Cl)cc1 ZINC000359353489 286291273 /nfs/dbraw/zinc/29/12/73/286291273.db2.gz WRYHVWBRXDUNOI-CVEARBPZSA-N 1 0 324.852 3.018 10 0 DGAERO COc1ccc(F)c(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000187509480 286319332 /nfs/dbraw/zinc/31/93/32/286319332.db2.gz WNYANTQWOGXPAK-CYBMUJFWSA-N 1 0 323.412 3.220 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc(SC)cc2)CC1 ZINC000359494370 286320323 /nfs/dbraw/zinc/32/03/23/286320323.db2.gz ODDBPWIOVNPQMX-UHFFFAOYSA-N 1 0 306.475 3.260 10 0 DGAERO Brc1ccnc(N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000359562009 286336287 /nfs/dbraw/zinc/33/62/87/286336287.db2.gz WVIVPYHCJAELJQ-UHFFFAOYSA-N 1 0 324.266 3.156 10 0 DGAERO c1ccc2c(c1)CC[C@H](C[NH+]1CCN(Cc3ccncc3)CC1)C2 ZINC000359586172 286341853 /nfs/dbraw/zinc/34/18/53/286341853.db2.gz CYKHFOZVXAQKIU-IBGZPJMESA-N 1 0 321.468 3.004 10 0 DGAERO COC(=O)[C@H](C1CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000359612020 286346834 /nfs/dbraw/zinc/34/68/34/286346834.db2.gz RAKHSMIXESHBPW-SFHVURJKSA-N 1 0 312.413 3.299 10 0 DGAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ncc(Br)s2)C1(C)C ZINC000359931532 286390906 /nfs/dbraw/zinc/39/09/06/286390906.db2.gz KQFPUYSJCXOLNU-WHGOUJPWSA-N 1 0 319.268 3.055 10 0 DGAERO CCCc1nc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)no1 ZINC000360223545 286445366 /nfs/dbraw/zinc/44/53/66/286445366.db2.gz WJXOOYQEZQFIEC-MRXNPFEDSA-N 1 0 320.481 3.110 10 0 DGAERO C[NH+](C)C(C)(C)CNC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000361636676 286704363 /nfs/dbraw/zinc/70/43/63/286704363.db2.gz OXLIYTIPAVFRKD-UHFFFAOYSA-N 1 0 316.367 3.094 10 0 DGAERO c1ccc([C@@H]([NH2+]C2CCC3(CC2)OCCO3)[C@@H]2CCOC2)cc1 ZINC000364363810 287018424 /nfs/dbraw/zinc/01/84/24/287018424.db2.gz OXNYDNNFDQFZCS-SJLPKXTDSA-N 1 0 317.429 3.040 10 0 DGAERO C[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1ccncc1 ZINC000190739366 287028457 /nfs/dbraw/zinc/02/84/57/287028457.db2.gz CERWJLTWEUEELT-CQSZACIVSA-N 1 0 315.848 3.444 10 0 DGAERO COC[C@H](O)C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000364696178 287053565 /nfs/dbraw/zinc/05/35/65/287053565.db2.gz OOPDKLIXHWRYOX-CYBMUJFWSA-N 1 0 316.228 3.090 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc2c(c1)CCC2 ZINC000166504122 164602214 /nfs/dbraw/zinc/60/22/14/164602214.db2.gz VVIHLXQNLATORC-KXBFYZLASA-N 1 0 324.472 3.228 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1 ZINC000174198270 164720006 /nfs/dbraw/zinc/72/00/06/164720006.db2.gz OKLIWSKEIQJXRF-SJLPKXTDSA-N 1 0 316.424 3.269 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1-n1cncn1 ZINC000178054019 164823920 /nfs/dbraw/zinc/82/39/20/164823920.db2.gz KSBUMTJGMSTFIG-HZPDHXFCSA-N 1 0 313.449 3.357 10 0 DGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1-n1cncn1 ZINC000178054005 164824320 /nfs/dbraw/zinc/82/43/20/164824320.db2.gz KSBUMTJGMSTFIG-HOTGVXAUSA-N 1 0 313.449 3.357 10 0 DGAERO CCC1(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CCC1 ZINC000182884538 164945412 /nfs/dbraw/zinc/94/54/12/164945412.db2.gz WUDVDUURYSEOKD-LSDHHAIUSA-N 1 0 307.482 3.271 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]Cc2cccs2)c2ccc(F)cc2C1 ZINC000185356505 165001867 /nfs/dbraw/zinc/00/18/67/165001867.db2.gz VVKTVERALKRDSZ-QGZVFWFLSA-N 1 0 318.417 3.470 10 0 DGAERO COc1ccc(OCC[NH2+][C@H](C)[C@H]2COc3ccccc32)cc1 ZINC000185640455 165011307 /nfs/dbraw/zinc/01/13/07/165011307.db2.gz DGGSGYRSFFOBLB-RDTXWAMCSA-N 1 0 313.397 3.228 10 0 DGAERO COc1ccc(OCC[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000185640424 165011426 /nfs/dbraw/zinc/01/14/26/165011426.db2.gz DGGSGYRSFFOBLB-KDOFPFPSSA-N 1 0 313.397 3.228 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000185878860 165020169 /nfs/dbraw/zinc/02/01/69/165020169.db2.gz RFKJRJYMKQBBQM-ZBFHGGJFSA-N 1 0 312.413 3.298 10 0 DGAERO c1coc(-c2nnc(CN3Cc4ccccc4C4(CC4)C3)o2)c1 ZINC000186158112 165029071 /nfs/dbraw/zinc/02/90/71/165029071.db2.gz GEHPDRWGIXDBEG-UHFFFAOYSA-N 1 0 307.353 3.377 10 0 DGAERO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000186854335 165064138 /nfs/dbraw/zinc/06/41/38/165064138.db2.gz VLWFTFPIFDEVII-MTNOOBJLSA-N 1 0 300.446 3.230 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)C1CCSCC1 ZINC000186936861 165066943 /nfs/dbraw/zinc/06/69/43/165066943.db2.gz PYQJWJQAVUEAQE-UONOGXRCSA-N 1 0 316.474 3.450 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(c2ccsc2)CC1 ZINC000186984472 165071516 /nfs/dbraw/zinc/07/15/16/165071516.db2.gz COCLGFSTVLCVKH-CQSZACIVSA-N 1 0 323.506 3.367 10 0 DGAERO Cc1cc(CNC(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1Cl ZINC000187055266 165075663 /nfs/dbraw/zinc/07/56/63/165075663.db2.gz FNYJSZDOWGWVPK-UHFFFAOYSA-N 1 0 321.852 3.028 10 0 DGAERO COCCC1(C[NH+]2CCC(N3CCCC3=O)CC2)CCCCC1 ZINC000187179139 165081193 /nfs/dbraw/zinc/08/11/93/165081193.db2.gz UMEBYNZOHVMAAI-UHFFFAOYSA-N 1 0 322.493 3.060 10 0 DGAERO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc(C)nc1C)c1ccccc1 ZINC000187281988 165083423 /nfs/dbraw/zinc/08/34/23/165083423.db2.gz ANKFPFVHACUFRA-KBXCAEBGSA-N 1 0 312.413 3.338 10 0 DGAERO Cc1nccnc1[C@@H](C)NC1CC[NH+](CC2CCCC2)CC1 ZINC000187893468 165104320 /nfs/dbraw/zinc/10/43/20/165104320.db2.gz DOZMPWXQPFTXLW-OAHLLOKOSA-N 1 0 302.466 3.090 10 0 DGAERO Cc1cccc(-c2noc(C[N@@H+](C)[C@]3(CO)CC[C@H](C)C3)n2)c1 ZINC000187962151 165106585 /nfs/dbraw/zinc/10/65/85/165106585.db2.gz XAYNPOQRSHKUAU-KBXCAEBGSA-N 1 0 315.417 3.028 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000187966085 165107231 /nfs/dbraw/zinc/10/72/31/165107231.db2.gz ORRJAJYZSVKMBO-UGSOOPFHSA-N 1 0 318.392 3.464 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3ccccc3F)o2)C1 ZINC000188029238 165109579 /nfs/dbraw/zinc/10/95/79/165109579.db2.gz DTQBCXJRVLEORZ-SCLBCKFNSA-N 1 0 318.392 3.464 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1nnc2n1CCCC2 ZINC000188089473 165113091 /nfs/dbraw/zinc/11/30/91/165113091.db2.gz AASILAOGDQNTDN-QWHCGFSZSA-N 1 0 302.397 3.035 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1cccc(F)c1)CC2 ZINC000188183537 165115219 /nfs/dbraw/zinc/11/52/19/165115219.db2.gz OWUSZDNGFYROOO-GJZGRUSLSA-N 1 0 302.397 3.035 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+]C1CCN(c2cccs2)CC1 ZINC000188135328 165115458 /nfs/dbraw/zinc/11/54/58/165115458.db2.gz OJKXGNRWRJCPGR-CYBMUJFWSA-N 1 0 302.447 3.166 10 0 DGAERO O=C(Nc1cccc(COC2CCCCC2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188450854 165123264 /nfs/dbraw/zinc/12/32/64/165123264.db2.gz RPYDVXLRDVUMRI-WMLDXEAASA-N 1 0 320.408 3.174 10 0 DGAERO O=C([C@H]1C[C@H]1c1cccc2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000188666856 165132004 /nfs/dbraw/zinc/13/20/04/165132004.db2.gz KNMWNDPQDYUCHD-PMACEKPBSA-N 1 0 320.436 3.250 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188671361 165132183 /nfs/dbraw/zinc/13/21/83/165132183.db2.gz AAQWILMTHRGQBD-MDWZMJQESA-N 1 0 310.372 3.149 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCC12CCCC2 ZINC000189186509 165152131 /nfs/dbraw/zinc/15/21/31/165152131.db2.gz OBUBAYHWBRZCJD-PBHICJAKSA-N 1 0 311.429 3.097 10 0 DGAERO CC(C)NC(=O)CCN1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000189485548 165164103 /nfs/dbraw/zinc/16/41/03/165164103.db2.gz DYHRHADCFZXIRK-CZUORRHYSA-N 1 0 324.852 3.017 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)O1 ZINC000189713866 165174834 /nfs/dbraw/zinc/17/48/34/165174834.db2.gz DUWYOCCAKPTSLY-GFCCVEGCSA-N 1 0 321.371 3.402 10 0 DGAERO Cc1cccc2nc(C3CC[NH+](C[C@H]4CCCO4)CC3)oc21 ZINC000189797967 165176689 /nfs/dbraw/zinc/17/66/89/165176689.db2.gz NOEUTNKKZNKVKF-OAHLLOKOSA-N 1 0 300.402 3.495 10 0 DGAERO Cc1cccc2nc(C3CC[NH+](CCn4cccn4)CC3)oc21 ZINC000189801219 165176760 /nfs/dbraw/zinc/17/67/60/165176760.db2.gz XYYVXHNVRFBOGA-UHFFFAOYSA-N 1 0 310.401 3.212 10 0 DGAERO COc1ccc(C[NH+]2CCC(Nc3nccs3)CC2)cc1 ZINC000189950578 165183637 /nfs/dbraw/zinc/18/36/37/165183637.db2.gz VQKXFBGOVJNYNI-UHFFFAOYSA-N 1 0 303.431 3.228 10 0 DGAERO c1csc(NC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)n1 ZINC000189961106 165183828 /nfs/dbraw/zinc/18/38/28/165183828.db2.gz SZDBJXBBSVESIQ-UHFFFAOYSA-N 1 0 313.430 3.096 10 0 DGAERO Cc1csc(=O)n1CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190168787 165191744 /nfs/dbraw/zinc/19/17/44/165191744.db2.gz CUYTYVRPKZIGGD-NSHDSACASA-N 1 0 322.396 3.129 10 0 DGAERO CCCc1noc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000190177886 165191871 /nfs/dbraw/zinc/19/18/71/165191871.db2.gz XYQRBMFHDQSQOW-JTQLQIEISA-N 1 0 305.344 3.433 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000190564504 165208609 /nfs/dbraw/zinc/20/86/09/165208609.db2.gz NJMOHOAHESXWDS-UHFFFAOYSA-N 1 0 323.481 3.420 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cccc(-n2cccn2)c1 ZINC000191054300 165229537 /nfs/dbraw/zinc/22/95/37/165229537.db2.gz RDZMGNBDHBVEDH-BEFAXECRSA-N 1 0 313.445 3.464 10 0 DGAERO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000191061911 165229809 /nfs/dbraw/zinc/22/98/09/165229809.db2.gz RCFXDWDAQNKCIE-AEFFLSMTSA-N 1 0 317.477 3.047 10 0 DGAERO CCn1cc(C2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)cn1 ZINC000191323734 165244667 /nfs/dbraw/zinc/24/46/67/165244667.db2.gz ATFFRROXQXCFKS-GOSISDBHSA-N 1 0 305.466 3.024 10 0 DGAERO CC1CCC([NH+]2CCN(C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000191346204 165244766 /nfs/dbraw/zinc/24/47/66/165244766.db2.gz FMPIOUYIPJWJQW-NKELODKYSA-N 1 0 308.510 3.124 10 0 DGAERO Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000191448194 165250902 /nfs/dbraw/zinc/25/09/02/165250902.db2.gz CYXDKUJUYMIEFV-GOSISDBHSA-N 1 0 324.424 3.310 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000191621114 165262884 /nfs/dbraw/zinc/26/28/84/165262884.db2.gz PXJBVLNJXQLQIP-KDOFPFPSSA-N 1 0 315.461 3.188 10 0 DGAERO CCn1cc([C@H]2C[N@H+](CC(C)(C)c3ccccc3)CCO2)cn1 ZINC000191703108 165264252 /nfs/dbraw/zinc/26/42/52/165264252.db2.gz KBCIYTOSUUIAIC-GOSISDBHSA-N 1 0 313.445 3.254 10 0 DGAERO COc1ccc(Cl)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000191978705 165277816 /nfs/dbraw/zinc/27/78/16/165277816.db2.gz ANXPLXBUMYMGAC-UHFFFAOYSA-N 1 0 305.809 3.451 10 0 DGAERO Cc1csc2c1ncnc2NC1CC[NH+](CC2CC2)CC1 ZINC000192512401 165295297 /nfs/dbraw/zinc/29/52/97/165295297.db2.gz SUVUQBAYLJJART-UHFFFAOYSA-N 1 0 302.447 3.286 10 0 DGAERO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1F ZINC000192691319 165301903 /nfs/dbraw/zinc/30/19/03/165301903.db2.gz VDKUUUIIMXIYTG-HUUCEWRRSA-N 1 0 303.381 3.304 10 0 DGAERO CSc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000192768491 165306244 /nfs/dbraw/zinc/30/62/44/165306244.db2.gz VAEQIAVFNMFOQU-UHFFFAOYSA-N 1 0 318.486 3.357 10 0 DGAERO O=C1NCCCC[C@@H]1[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000192802180 165306359 /nfs/dbraw/zinc/30/63/59/165306359.db2.gz LNNDAIZJZRWVLD-SFHVURJKSA-N 1 0 311.429 3.016 10 0 DGAERO O[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193109186 165318877 /nfs/dbraw/zinc/31/88/77/165318877.db2.gz HCEMCRLRDKXPIO-ZBFHGGJFSA-N 1 0 312.394 3.151 10 0 DGAERO CC[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000193126296 165318881 /nfs/dbraw/zinc/31/88/81/165318881.db2.gz HAYIXXYMYCKFTI-RCBQFDQVSA-N 1 0 324.852 3.064 10 0 DGAERO CSc1ccc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc1 ZINC000193431979 165326748 /nfs/dbraw/zinc/32/67/48/165326748.db2.gz LWACWFMZZKZXTM-HNNXBMFYSA-N 1 0 320.502 3.094 10 0 DGAERO CC1CCC(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000193753176 165331280 /nfs/dbraw/zinc/33/12/80/165331280.db2.gz WJMUVFZEKGUJAZ-UHFFFAOYSA-N 1 0 307.482 3.083 10 0 DGAERO CC1(C)CCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194411757 165344866 /nfs/dbraw/zinc/34/48/66/165344866.db2.gz VLSVZEXEVRKLMM-QGZVFWFLSA-N 1 0 315.461 3.093 10 0 DGAERO COc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1Cl ZINC000194372740 165345325 /nfs/dbraw/zinc/34/53/25/165345325.db2.gz DLNMEEVDBYVSPZ-DGCLKSJQSA-N 1 0 323.824 3.049 10 0 DGAERO C[C@H](CC[NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 ZINC000194988836 165359788 /nfs/dbraw/zinc/35/97/88/165359788.db2.gz NRXLQQOKPXGYAK-SJLPKXTDSA-N 1 0 310.445 3.229 10 0 DGAERO Cc1csc([C@@H]2CCCN(CC(=O)Nc3ccccc3)C2)n1 ZINC000195333128 165365359 /nfs/dbraw/zinc/36/53/59/165365359.db2.gz UHQQOOLRSSYEBM-CQSZACIVSA-N 1 0 315.442 3.270 10 0 DGAERO CCc1csc([C@@H]2CCCN(CC(=O)NC(C)(C)CC)C2)n1 ZINC000195380333 165369444 /nfs/dbraw/zinc/36/94/44/165369444.db2.gz KKOGYADHNJIXTN-CYBMUJFWSA-N 1 0 323.506 3.190 10 0 DGAERO Cc1csc([C@H]2CN(CCOc3ccccc3C)CCO2)n1 ZINC000195437288 165370252 /nfs/dbraw/zinc/37/02/52/165370252.db2.gz VQJCDMIOIDZGKH-MRXNPFEDSA-N 1 0 318.442 3.212 10 0 DGAERO Cc1csc([C@@H]2CN(CCOc3ccccc3C)CCO2)n1 ZINC000195437279 165370912 /nfs/dbraw/zinc/37/09/12/165370912.db2.gz VQJCDMIOIDZGKH-INIZCTEOSA-N 1 0 318.442 3.212 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000195520322 165374363 /nfs/dbraw/zinc/37/43/63/165374363.db2.gz YRSIZOFSLJJWSU-ZFWWWQNUSA-N 1 0 302.397 3.378 10 0 DGAERO O[C@H]1CCC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000217853593 165378143 /nfs/dbraw/zinc/37/81/43/165378143.db2.gz BHUMFSGHTWIHLF-JQWIXIFHSA-N 1 0 316.214 3.229 10 0 DGAERO FC(F)SCc1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)o1 ZINC000230314861 165396671 /nfs/dbraw/zinc/39/66/71/165396671.db2.gz LHTAXUZPUJWMRH-STQMWFEESA-N 1 0 303.374 3.393 10 0 DGAERO c1ncn(CC[N@@H+]2CCC[C@H]2C[C@H]2CCCc3ccccc32)n1 ZINC000365226308 287111284 /nfs/dbraw/zinc/11/12/84/287111284.db2.gz ICXICMYKSXXJJG-MSOLQXFVSA-N 1 0 310.445 3.253 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2nccs2)[C@H]1c1cccs1 ZINC000365232616 287111789 /nfs/dbraw/zinc/11/17/89/287111789.db2.gz OUCTXOLXAUMYCN-AAEUAGOBSA-N 1 0 321.471 3.018 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000245473173 165461566 /nfs/dbraw/zinc/46/15/66/165461566.db2.gz PRVQZLPRLOWXRC-SJORKVTESA-N 1 0 317.477 3.047 10 0 DGAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261596971 165720500 /nfs/dbraw/zinc/72/05/00/165720500.db2.gz AKFRVTUPDSGIPE-XZJROXQQSA-N 1 0 324.827 3.358 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])Cc1cccc(Cl)c1 ZINC000261627597 165723959 /nfs/dbraw/zinc/72/39/59/165723959.db2.gz BJBDDGGBEDFEIA-GDBMZVCRSA-N 1 0 322.880 3.400 10 0 DGAERO Cc1cc(Cl)cc(C)c1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261634761 165725054 /nfs/dbraw/zinc/72/50/54/165725054.db2.gz FSKOMPKZZORKEB-SFHVURJKSA-N 1 0 315.848 3.498 10 0 DGAERO Fc1cncc(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)c1 ZINC000261765462 165746152 /nfs/dbraw/zinc/74/61/52/165746152.db2.gz RQIGYJDPTBNIGL-INIZCTEOSA-N 1 0 305.784 3.021 10 0 DGAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000261796880 165749722 /nfs/dbraw/zinc/74/97/22/165749722.db2.gz DRLBCMAACXIZDU-KBAYOESNSA-N 1 0 300.446 3.219 10 0 DGAERO Cc1cc2occ(CC(=O)N3CC[C@@H](C)C[C@@H]3C[NH3+])c2cc1C ZINC000261813390 165751032 /nfs/dbraw/zinc/75/10/32/165751032.db2.gz NOPLAPHUNJZVQN-MLGOLLRUSA-N 1 0 314.429 3.178 10 0 DGAERO CC(C)[C@H](Sc1ccccc1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261811868 165751045 /nfs/dbraw/zinc/75/10/45/165751045.db2.gz HMMSLTODTPAVBD-HOTGVXAUSA-N 1 0 320.502 3.389 10 0 DGAERO Cc1nc2ccc(CN3CC[NH2+]C[C@H]3c3ccncc3)cc2s1 ZINC000262056521 165782639 /nfs/dbraw/zinc/78/26/39/165782639.db2.gz QSUNRUKGXTWWAF-KRWDZBQOSA-N 1 0 324.453 3.146 10 0 DGAERO C[C@@H](C(=O)Nc1ccccc1OCCc1ccccc1)C1C[NH2+]C1 ZINC000262065058 165783804 /nfs/dbraw/zinc/78/38/04/165783804.db2.gz IXUXILMOHBVZQL-OAHLLOKOSA-N 1 0 324.424 3.102 10 0 DGAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262495035 165805453 /nfs/dbraw/zinc/80/54/53/165805453.db2.gz WEFZMLKHWJDCCG-WOJBJXKFSA-N 1 0 322.452 3.476 10 0 DGAERO O=C(C1CCC1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262906644 165823736 /nfs/dbraw/zinc/82/37/36/165823736.db2.gz IXKMHMZHBZKXCY-HNNXBMFYSA-N 1 0 304.459 3.019 10 0 DGAERO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCCC34CCC4)c2cc1C ZINC000365635679 287156566 /nfs/dbraw/zinc/15/65/66/287156566.db2.gz HZBVWGNZALMRQD-INIZCTEOSA-N 1 0 313.445 3.033 10 0 DGAERO C[C@@H]1CC([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@@H](C)C1 ZINC000328627211 287228421 /nfs/dbraw/zinc/22/84/21/287228421.db2.gz FVYWMVLUKPNSSY-MRHSLFKSSA-N 1 0 301.478 3.489 10 0 DGAERO C[C@H](CC[NH2+]Cc1nc(-c2ccccc2)cs1)[S@@](C)=O ZINC000129338292 196040655 /nfs/dbraw/zinc/04/06/55/196040655.db2.gz LHIYYYKYNGDRDW-ODXCJYRJSA-N 1 0 308.472 3.057 10 0 DGAERO C[C@H]1CN(CC[NH+]2CCCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246653312 432151758 /nfs/dbraw/zinc/15/17/58/432151758.db2.gz IQUGJGKQHKVQBZ-YJBOKZPZSA-N 1 0 306.425 3.073 10 0 DGAERO Cc1ccccc1[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000246652592 432152262 /nfs/dbraw/zinc/15/22/62/432152262.db2.gz RASLOAHBIAOROS-FUHWJXTLSA-N 1 0 315.461 3.182 10 0 DGAERO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000181936231 432150573 /nfs/dbraw/zinc/15/05/73/432150573.db2.gz NRYJIZYHIGSVJG-STQMWFEESA-N 1 0 310.401 3.252 10 0 DGAERO CC(C)[C@@H](C(=O)Nc1cccc2[nH]cnc21)[NH+]1CCCCC1 ZINC000136249900 432150682 /nfs/dbraw/zinc/15/06/82/432150682.db2.gz ASVHDMWRBOPDLW-INIZCTEOSA-N 1 0 300.406 3.012 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)c(CC)c2)C1 ZINC000181978687 432153126 /nfs/dbraw/zinc/15/31/26/432153126.db2.gz HKCOQEGNSVCDEX-HNNXBMFYSA-N 1 0 303.450 3.411 10 0 DGAERO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc2c(s1)CCCC2 ZINC000129404681 196045957 /nfs/dbraw/zinc/04/59/57/196045957.db2.gz NTHQQCZMAZJPMD-DCBWTQNWSA-N 1 0 306.475 3.322 10 0 DGAERO COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000182176863 432161854 /nfs/dbraw/zinc/16/18/54/432161854.db2.gz DSIKUZIMZPDZCM-OAHLLOKOSA-N 1 0 315.369 3.282 10 0 DGAERO C[C@H]1C[N@H+](C[C@H](O)COc2cccc3ccccc32)CCS1 ZINC000171695933 432162054 /nfs/dbraw/zinc/16/20/54/432162054.db2.gz HZDLHVVGOGTFJV-HOCLYGCPSA-N 1 0 317.454 3.017 10 0 DGAERO CC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccs1 ZINC000171653340 432155581 /nfs/dbraw/zinc/15/55/81/432155581.db2.gz UZVUYYKQBSBSDE-CABCVRRESA-N 1 0 321.490 3.469 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000246700938 432156241 /nfs/dbraw/zinc/15/62/41/432156241.db2.gz JJDTTXPSUWDGHB-ZWKOTPCHSA-N 1 0 313.445 3.124 10 0 DGAERO O=C(CC1CCC(C(F)(F)F)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000182061852 432156328 /nfs/dbraw/zinc/15/63/28/432156328.db2.gz JKRVDWUOALVFBX-RUXDESIVSA-N 1 0 318.383 3.052 10 0 DGAERO Cc1cccc(OCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000171646881 432156908 /nfs/dbraw/zinc/15/69/08/432156908.db2.gz UTUOJMIBPPRQLT-KRWDZBQOSA-N 1 0 311.429 3.203 10 0 DGAERO CC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccc(F)cc1F ZINC000246728745 432159189 /nfs/dbraw/zinc/15/91/89/432159189.db2.gz ONRAAUXJSBJCHB-BEMMVCDISA-N 1 0 322.399 3.453 10 0 DGAERO CC(C)n1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000190456393 432159207 /nfs/dbraw/zinc/15/92/07/432159207.db2.gz ONSAQEJMHUOAMC-UHFFFAOYSA-N 1 0 312.417 3.312 10 0 DGAERO CS[C@H](CO)[C@H](C)[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182090216 432159209 /nfs/dbraw/zinc/15/92/09/432159209.db2.gz KYWNFVOPKXQBKU-VQISRLSMSA-N 1 0 303.418 3.364 10 0 DGAERO CCC1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000137148227 432171370 /nfs/dbraw/zinc/17/13/70/432171370.db2.gz SCYCUUUEDLBHPM-MNAZLIDISA-N 1 0 307.482 3.081 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246760882 432163341 /nfs/dbraw/zinc/16/33/41/432163341.db2.gz DNTLJKLTQTTZCS-GXTWGEPZSA-N 1 0 323.412 3.171 10 0 DGAERO O=C(C1CC[NH+]([C@H]2C=CCCC2)CC1)N1CCc2ccccc21 ZINC000171734831 432166429 /nfs/dbraw/zinc/16/64/29/432166429.db2.gz UYDVLGLXFOAZMV-SFHVURJKSA-N 1 0 310.441 3.396 10 0 DGAERO O=C(CCCCCc1cccs1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171744916 432167987 /nfs/dbraw/zinc/16/79/87/432167987.db2.gz LIOLROOWEBMMHY-OAHLLOKOSA-N 1 0 306.475 3.158 10 0 DGAERO COc1c(CN2CC=C(c3ccccc3F)CC2)c(C)nn1C ZINC000137026244 432168979 /nfs/dbraw/zinc/16/89/79/432168979.db2.gz YGJSNRBHJVAMRH-UHFFFAOYSA-N 1 0 315.392 3.166 10 0 DGAERO CS[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000246837778 432170398 /nfs/dbraw/zinc/17/03/98/432170398.db2.gz MDCLQCHIDMOXJX-HMQMGEFJSA-N 1 0 318.486 3.222 10 0 DGAERO CCCc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cc1 ZINC000246888122 432177858 /nfs/dbraw/zinc/17/78/58/432177858.db2.gz RFWFMUJXUGFRID-GUDVDZBRSA-N 1 0 303.446 3.407 10 0 DGAERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1cccc(OC(F)F)c1 ZINC000190649310 432178058 /nfs/dbraw/zinc/17/80/58/432178058.db2.gz KQPGBHARWGJZQT-LLVKDONJSA-N 1 0 301.333 3.092 10 0 DGAERO CC[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(OC(F)F)cc1 ZINC000190649152 432178193 /nfs/dbraw/zinc/17/81/93/432178193.db2.gz BVLJCQJPOSSSIG-CQSZACIVSA-N 1 0 315.360 3.482 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000246869007 432174259 /nfs/dbraw/zinc/17/42/59/432174259.db2.gz CVOQUFDBHRUXIN-XZDPQHSOSA-N 1 0 303.402 3.066 10 0 DGAERO FC(F)(F)c1ccccc1[C@H]1CN(Cc2c[nH]cn2)CCO1 ZINC000182390060 432185654 /nfs/dbraw/zinc/18/56/54/432185654.db2.gz NOEJNYLEIDGKLB-CQSZACIVSA-N 1 0 311.307 3.002 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246972928 432185816 /nfs/dbraw/zinc/18/58/16/432185816.db2.gz LHLDKJAPRXFEOW-GBESFXJTSA-N 1 0 312.457 3.220 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1C[C@@H]1C ZINC000247025421 432192393 /nfs/dbraw/zinc/19/23/93/432192393.db2.gz NEKHIZHSGVQBLE-CWSCBRNRSA-N 1 0 316.323 3.300 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(F)c2Cl)[C@@H](C)C1 ZINC000247010336 432190252 /nfs/dbraw/zinc/19/02/52/432190252.db2.gz WEKHLOPEALKZPR-SMDDNHRTSA-N 1 0 312.816 3.281 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)cc1Cl ZINC000247012274 432190473 /nfs/dbraw/zinc/19/04/73/432190473.db2.gz RKFFSCPESDGCAM-STQMWFEESA-N 1 0 310.800 3.178 10 0 DGAERO CC(C)C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171898374 432182693 /nfs/dbraw/zinc/18/26/93/432182693.db2.gz XWZFPDDPIGHENL-QZTJIDSGSA-N 1 0 315.461 3.263 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc(F)ccc2o1 ZINC000246944998 432182793 /nfs/dbraw/zinc/18/27/93/432182793.db2.gz LBSAFNAHZDKXTQ-GJZGRUSLSA-N 1 0 316.376 3.271 10 0 DGAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000190848599 432194471 /nfs/dbraw/zinc/19/44/71/432194471.db2.gz GJHIHBNHJSGDGF-PBHICJAKSA-N 1 0 304.434 3.282 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000247049255 432196088 /nfs/dbraw/zinc/19/60/88/432196088.db2.gz IGLMHYSTZHSXLV-XJKSGUPXSA-N 1 0 320.864 3.217 10 0 DGAERO Cc1cc(CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)s1 ZINC000247041497 432196338 /nfs/dbraw/zinc/19/63/38/432196338.db2.gz UQXHUTYQPJFESL-DYVFJYSZSA-N 1 0 320.502 3.383 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000130551414 196090037 /nfs/dbraw/zinc/09/00/37/196090037.db2.gz TUHBDESQJDZIJS-DLBZAZTESA-N 1 0 313.397 3.232 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(C(C)C)n2)[C@@H](C)C1 ZINC000247151880 432206780 /nfs/dbraw/zinc/20/67/80/432206780.db2.gz ACQQXNJDINSIDO-JSGCOSHPSA-N 1 0 309.479 3.069 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(CC(C)C)n2)[C@@H](C)C1 ZINC000247167156 432207521 /nfs/dbraw/zinc/20/75/21/432207521.db2.gz AQGDNBALYPERQJ-DZGCQCFKSA-N 1 0 323.506 3.144 10 0 DGAERO CS[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247216155 432210545 /nfs/dbraw/zinc/21/05/45/432210545.db2.gz CKHZDTWTAHDBBA-BMFZPTHFSA-N 1 0 306.475 3.032 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@](C)(O)c1ccccc1 ZINC000247206256 432211179 /nfs/dbraw/zinc/21/11/79/432211179.db2.gz PHEYNZDOHOAIJZ-PKOBYXMFSA-N 1 0 313.445 3.082 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCCn2ccnc2)c1 ZINC000182623276 432212041 /nfs/dbraw/zinc/21/20/41/432212041.db2.gz BYNMZZCNNUWWBA-QGZVFWFLSA-N 1 0 315.417 3.128 10 0 DGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCN(C)Cc2ccccc2)c1C ZINC000151035372 432212821 /nfs/dbraw/zinc/21/28/21/432212821.db2.gz FHWPUDMUNDHOGQ-OAHLLOKOSA-N 1 0 314.477 3.302 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000151035509 432212911 /nfs/dbraw/zinc/21/29/11/432212911.db2.gz YYXVMFGZOPFTDJ-BBWFWOEESA-N 1 0 305.462 3.349 10 0 DGAERO C[C@H](SCc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247250733 432215041 /nfs/dbraw/zinc/21/50/41/432215041.db2.gz DQUZBJBMJLUNLO-YQQAZPJKSA-N 1 0 320.502 3.249 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000247238237 432215416 /nfs/dbraw/zinc/21/54/16/432215416.db2.gz YQVBRBWNNTYSMO-BBRMVZONSA-N 1 0 320.864 3.313 10 0 DGAERO C[C@H](SCc1ccccc1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247130720 432204951 /nfs/dbraw/zinc/20/49/51/432204951.db2.gz JJISJWYARCXPBV-HLLBOEOZSA-N 1 0 318.486 3.003 10 0 DGAERO Cc1cccc2[nH]cc(CC[NH2+]Cc3cn(C(C)(C)C)nn3)c21 ZINC000190948315 432205390 /nfs/dbraw/zinc/20/53/90/432205390.db2.gz YGRCRFIPRUVMHD-UHFFFAOYSA-N 1 0 311.433 3.155 10 0 DGAERO CCCC[C@@H](COC)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000150953285 432205421 /nfs/dbraw/zinc/20/54/21/432205421.db2.gz QNNWEWSFYNJWSN-GJZGRUSLSA-N 1 0 302.422 3.123 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCc2ccc(Cl)cc2)C1 ZINC000172253456 432205758 /nfs/dbraw/zinc/20/57/58/432205758.db2.gz OCNDZNCQIYIHDN-INIZCTEOSA-N 1 0 323.868 3.008 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)n1 ZINC000247348070 432225019 /nfs/dbraw/zinc/22/50/19/432225019.db2.gz GOCPEETVTKBOOS-ZWKOTPCHSA-N 1 0 312.413 3.178 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC000191137549 432225062 /nfs/dbraw/zinc/22/50/62/432225062.db2.gz PUGHPOFGYMSCAT-STQMWFEESA-N 1 0 322.474 3.194 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc2ccccc21 ZINC000247374527 432226092 /nfs/dbraw/zinc/22/60/92/432226092.db2.gz FMXYUYCCWOUCSE-RDJZCZTQSA-N 1 0 323.440 3.390 10 0 DGAERO Cc1ccc(C[C@H](C)NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)s1 ZINC000247375027 432226192 /nfs/dbraw/zinc/22/61/92/432226192.db2.gz PKDWEOQHPXGZML-WWGRRREGSA-N 1 0 323.506 3.015 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000247369357 432226444 /nfs/dbraw/zinc/22/64/44/432226444.db2.gz DWDNEUWIOPNPBF-HSALFYBXSA-N 1 0 322.452 3.079 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000247396802 432227912 /nfs/dbraw/zinc/22/79/12/432227912.db2.gz MJKLQMCSDFWHOG-NHYWBVRUSA-N 1 0 312.816 3.281 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000247277095 432218201 /nfs/dbraw/zinc/21/82/01/432218201.db2.gz WZEINBYSZHFYCQ-HUUCEWRRSA-N 1 0 318.442 3.240 10 0 DGAERO Brc1cccc2c1C[N@H+](CCCn1ccnc1)CC2 ZINC000182789787 432228413 /nfs/dbraw/zinc/22/84/13/432228413.db2.gz VWWCPHDQHDXOOZ-UHFFFAOYSA-N 1 0 320.234 3.094 10 0 DGAERO Cn1nccc1C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182729601 432221821 /nfs/dbraw/zinc/22/18/21/432221821.db2.gz LXDVDKVZZUZAHI-UHFFFAOYSA-N 1 0 301.409 3.371 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000172605204 432223768 /nfs/dbraw/zinc/22/37/68/432223768.db2.gz LHLDKJAPRXFEOW-CEXWTWQISA-N 1 0 312.457 3.220 10 0 DGAERO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@@H](C)CC[C@H]2C)C1 ZINC000247363758 432224181 /nfs/dbraw/zinc/22/41/81/432224181.db2.gz CKDSYKRBJOOLBX-IXDOHACOSA-N 1 0 309.498 3.329 10 0 DGAERO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000172603916 432224489 /nfs/dbraw/zinc/22/44/89/432224489.db2.gz WKTQDTAEPKFHOD-UONOGXRCSA-N 1 0 302.443 3.412 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)CO)cc1Br ZINC000131698324 196191539 /nfs/dbraw/zinc/19/15/39/196191539.db2.gz LZMKDSHFBBXUBH-MXWKQRLJSA-N 1 0 316.239 3.125 10 0 DGAERO c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCCSC2)n1 ZINC000131691738 196191823 /nfs/dbraw/zinc/19/18/23/196191823.db2.gz ZXXONFCQGPDJGI-MRXNPFEDSA-N 1 0 301.459 3.111 10 0 DGAERO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)ccc1OC ZINC000131873610 196206545 /nfs/dbraw/zinc/20/65/45/196206545.db2.gz MNDUAOKOZVSSJT-MRXNPFEDSA-N 1 0 315.417 3.165 10 0 DGAERO CCCn1c(C)cc(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000131894981 196208228 /nfs/dbraw/zinc/20/82/28/196208228.db2.gz YONJTOFXEAQEGJ-RHSMWYFYSA-N 1 0 319.493 3.112 10 0 DGAERO C[C@@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)O1 ZINC000132031182 196220502 /nfs/dbraw/zinc/22/05/02/196220502.db2.gz GTTAACQTTVJVOM-CRAIPNDOSA-N 1 0 316.445 3.425 10 0 DGAERO CC[N@H+](C[C@@H](C)Cc1ccccc1)[C@@H](C)CS(=O)(=O)CC ZINC000132355515 196249202 /nfs/dbraw/zinc/24/92/02/196249202.db2.gz RPPABPXJALIWJE-HOTGVXAUSA-N 1 0 311.491 3.010 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000132766580 196281800 /nfs/dbraw/zinc/28/18/00/196281800.db2.gz MOISGEJYZISNIB-IAGOWNOFSA-N 1 0 306.356 3.401 10 0 DGAERO CC(C)C[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccccn1 ZINC000134141101 196365117 /nfs/dbraw/zinc/36/51/17/196365117.db2.gz TYCFXEBYLOUYJG-SFHVURJKSA-N 1 0 317.477 3.405 10 0 DGAERO CC[C@H]([NH2+]C[C@H](O)COc1cc(C)ccc1C)c1nccs1 ZINC000134235399 196372976 /nfs/dbraw/zinc/37/29/76/196372976.db2.gz CCIVQDGQXSJKJB-GJZGRUSLSA-N 1 0 320.458 3.241 10 0 DGAERO C[N@H+](Cc1csc(Br)c1)[C@H](CO)C(C)(C)C ZINC000134414363 196388116 /nfs/dbraw/zinc/38/81/16/196388116.db2.gz ABZHLUXUTWVWOI-SNVBAGLBSA-N 1 0 306.269 3.349 10 0 DGAERO CC[C@@](C)(CCO)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000134470218 196394006 /nfs/dbraw/zinc/39/40/06/196394006.db2.gz LZNDOGXKPXJOKO-AWEZNQCLSA-N 1 0 305.340 3.268 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1c(F)cccc1Cl ZINC000134530175 196399148 /nfs/dbraw/zinc/39/91/48/196399148.db2.gz RNBSTKSZZUQJBT-UHFFFAOYSA-N 1 0 304.752 3.012 10 0 DGAERO c1cc2c(cc1C[NH2+][C@H]1CCOC3(CCCCC3)C1)OCCO2 ZINC000136731112 196549954 /nfs/dbraw/zinc/54/99/54/196549954.db2.gz OPTVEFGCLMRKSF-INIZCTEOSA-N 1 0 317.429 3.429 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC000295490510 224903141 /nfs/dbraw/zinc/90/31/41/224903141.db2.gz SPWBKLROZKPLHK-ZDUSSCGKSA-N 1 0 310.463 3.403 10 0 DGAERO c1c(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)nc2ncccn12 ZINC000297363929 227066929 /nfs/dbraw/zinc/06/69/29/227066929.db2.gz HAHSEZKJPBCEHN-FUHWJXTLSA-N 1 0 306.413 3.403 10 0 DGAERO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)ccc1F ZINC000152549141 227074167 /nfs/dbraw/zinc/07/41/67/227074167.db2.gz IRVUUEBOKSNWDG-LLVKDONJSA-N 1 0 303.333 3.414 10 0 DGAERO Cc1csc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)n1 ZINC000291172832 222192629 /nfs/dbraw/zinc/19/26/29/222192629.db2.gz DVTVABWMPRBNHD-SFHVURJKSA-N 1 0 316.470 3.269 10 0 DGAERO Cc1ccncc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291319650 222309741 /nfs/dbraw/zinc/30/97/41/222309741.db2.gz SLTLENRWMZMUFU-HXUWFJFHSA-N 1 0 310.441 3.207 10 0 DGAERO Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000173250362 228279879 /nfs/dbraw/zinc/27/98/79/228279879.db2.gz FISYAQMICCBAMX-CQSZACIVSA-N 1 0 307.463 3.396 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000175173416 228298254 /nfs/dbraw/zinc/29/82/54/228298254.db2.gz JKRQKFYHHUFZAF-UYAOXDASSA-N 1 0 310.441 3.005 10 0 DGAERO Cc1cc(CCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)s1 ZINC000175414238 228300269 /nfs/dbraw/zinc/30/02/69/228300269.db2.gz UQXHUTYQPJFESL-SUMWQHHRSA-N 1 0 320.502 3.383 10 0 DGAERO CN(Cc1ccc(F)cc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178723074 228345194 /nfs/dbraw/zinc/34/51/94/228345194.db2.gz ALNPXNZEFLIHKZ-UHFFFAOYSA-N 1 0 321.440 3.088 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CCSCc1ccccc1 ZINC000192630986 228551905 /nfs/dbraw/zinc/55/19/05/228551905.db2.gz RSJPCBWPHMIYDM-AWEZNQCLSA-N 1 0 317.502 3.491 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1Cl ZINC000195444591 228610164 /nfs/dbraw/zinc/61/01/64/228610164.db2.gz UZLLJSQQTJAAKN-OAHLLOKOSA-N 1 0 318.852 3.141 10 0 DGAERO Cc1nc2c(n1[C@@H]1CC[N@H+](CC3(O)CCCCC3)C1)CCCC2 ZINC000299744099 229383175 /nfs/dbraw/zinc/38/31/75/229383175.db2.gz QWNNBLMFWXAMGM-MRXNPFEDSA-N 1 0 317.477 3.012 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3c(C)ccc(C)c31)CC2 ZINC000179424940 263558101 /nfs/dbraw/zinc/55/81/01/263558101.db2.gz XKDNTVJVMRFYDB-NVXWUHKLSA-N 1 0 324.472 3.439 10 0 DGAERO CC[C@@H]1CN(C/C=C/c2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000179507975 263559743 /nfs/dbraw/zinc/55/97/43/263559743.db2.gz VBSGVCRTQSFCSH-CHABLROBSA-N 1 0 322.880 3.130 10 0 DGAERO CCC(CC)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000179750190 263565391 /nfs/dbraw/zinc/56/53/91/263565391.db2.gz OADUSDQZWBTRJM-UHFFFAOYSA-N 1 0 302.462 3.451 10 0 DGAERO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000237990457 263865288 /nfs/dbraw/zinc/86/52/88/263865288.db2.gz HGWABHMWPVWMKR-HIFRSBDPSA-N 1 0 316.376 3.333 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000347001586 264137065 /nfs/dbraw/zinc/13/70/65/264137065.db2.gz ASHMDZDTRZFIKN-IBGZPJMESA-N 1 0 312.413 3.314 10 0 DGAERO c1ccc(COC[C@@H]2CC[N@@H+](CC[C@H]3CCCCO3)C2)cc1 ZINC000347449688 264223086 /nfs/dbraw/zinc/22/30/86/264223086.db2.gz XNNLHKKQYSBNID-RTBURBONSA-N 1 0 303.446 3.484 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCOCc1ccccc1 ZINC000347486405 264228606 /nfs/dbraw/zinc/22/86/06/264228606.db2.gz RIKZRMIAAWFUIK-IEBWSBKVSA-N 1 0 302.462 3.152 10 0 DGAERO c1cc2c(cc1[C@@H]([NH2+]CC[C@@H]1CCCCO1)C1CC1)OCCO2 ZINC000347686609 264267190 /nfs/dbraw/zinc/26/71/90/264267190.db2.gz TUTIEOZYKVAMBN-LPHOPBHVSA-N 1 0 317.429 3.458 10 0 DGAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000352186916 264958730 /nfs/dbraw/zinc/95/87/30/264958730.db2.gz OVKMGEBACRZDBB-CABCVRRESA-N 1 0 317.433 3.004 10 0 DGAERO C[N@H+](Cc1ccc(Br)cc1Cl)[C@H]1CCC[C@@H]1O ZINC000352669652 265123469 /nfs/dbraw/zinc/12/34/69/265123469.db2.gz BJNVYRLQUHNRHP-STQMWFEESA-N 1 0 318.642 3.448 10 0 DGAERO Brc1cnccc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000352830708 265184953 /nfs/dbraw/zinc/18/49/53/265184953.db2.gz WOXJDDKRYAAVRT-CYBMUJFWSA-N 1 0 324.266 3.299 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CSC2(C)C)c(Br)c1 ZINC000352868979 265208298 /nfs/dbraw/zinc/20/82/98/265208298.db2.gz VRZJEPNJQHDDJS-GFCCVEGCSA-N 1 0 316.264 3.441 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1c(F)ccc(Br)c1F ZINC000352894653 265219636 /nfs/dbraw/zinc/21/96/36/265219636.db2.gz SODZCUKHEYGJHJ-ZDUSSCGKSA-N 1 0 322.193 3.224 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1cc(Br)ccc1F ZINC000352911388 265226432 /nfs/dbraw/zinc/22/64/32/265226432.db2.gz LSGWKZFMWNELTE-ZDUSSCGKSA-N 1 0 304.203 3.085 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)O2 ZINC000353277732 265371436 /nfs/dbraw/zinc/37/14/36/265371436.db2.gz NUQMWXJYWLGNEB-MWDXBVQZSA-N 1 0 317.429 3.011 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc21 ZINC000247444877 432230030 /nfs/dbraw/zinc/23/00/30/432230030.db2.gz PSQYSSMDHSNVTJ-PXAZEXFGSA-N 1 0 317.408 3.028 10 0 DGAERO COc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c2ccccc12 ZINC000247409802 432229537 /nfs/dbraw/zinc/22/95/37/432229537.db2.gz QAWKSFCTIIMDEA-GJZGRUSLSA-N 1 0 324.424 3.157 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cnc3cc(F)c(F)cc3n2)C1 ZINC000247445764 432230791 /nfs/dbraw/zinc/23/07/91/432230791.db2.gz SIGHDPOUFRMKQP-ZUZCIYMTSA-N 1 0 306.360 3.049 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC000247440157 432230830 /nfs/dbraw/zinc/23/08/30/432230830.db2.gz RXXAMYBHDSKTDH-RKVPGOIHSA-N 1 0 320.452 3.239 10 0 DGAERO c1c(C2CC2)nn2ccnc(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c12 ZINC000631338516 424833644 /nfs/dbraw/zinc/83/36/44/424833644.db2.gz LRVBIBPVHPYTMB-GDBMZVCRSA-N 1 0 311.433 3.036 10 0 DGAERO CN(C)C(=O)[C@H]1CCCN1Cc1cc(Cl)ccc1Cl ZINC000172741001 432232620 /nfs/dbraw/zinc/23/26/20/432232620.db2.gz BQTRNZDSBPNFTQ-CYBMUJFWSA-N 1 0 301.217 3.046 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ccccc3n2)[C@@H](C)C1 ZINC000247457091 432232635 /nfs/dbraw/zinc/23/26/35/432232635.db2.gz QSOWMHYYVCVUNW-KSSFIOAISA-N 1 0 311.429 3.037 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(s1)CCCCC2 ZINC000247481891 432233389 /nfs/dbraw/zinc/23/33/89/432233389.db2.gz SSLZBQKZXNPZOO-ZFWWWQNUSA-N 1 0 318.486 3.326 10 0 DGAERO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1Cl ZINC000247483652 432234413 /nfs/dbraw/zinc/23/44/13/432234413.db2.gz SWSBHFUZWVFAFZ-TZMCWYRMSA-N 1 0 307.825 3.349 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@H]2c2ccccc2)C1 ZINC000247504415 432236210 /nfs/dbraw/zinc/23/62/10/432236210.db2.gz XVFPAFRQMLGZAN-NJAFHUGGSA-N 1 0 315.461 3.262 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCc2cccs2)[C@@H](C)C1 ZINC000247496837 432236402 /nfs/dbraw/zinc/23/64/02/432236402.db2.gz UQOYHFCPTCIDMH-HOCLYGCPSA-N 1 0 308.491 3.260 10 0 DGAERO Cc1nc(C)c(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)s1 ZINC000172769089 432236082 /nfs/dbraw/zinc/23/60/82/432236082.db2.gz QOJDPUALKNLYGK-GFCCVEGCSA-N 1 0 323.506 3.133 10 0 DGAERO CC[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000151334447 432237744 /nfs/dbraw/zinc/23/77/44/432237744.db2.gz VDHJQDNQDPZONB-QWHCGFSZSA-N 1 0 316.898 3.289 10 0 DGAERO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247543990 432239149 /nfs/dbraw/zinc/23/91/49/432239149.db2.gz RIKPEWUYRPYTIK-IRXDYDNUSA-N 1 0 315.413 3.473 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000247527925 432239345 /nfs/dbraw/zinc/23/93/45/432239345.db2.gz OQVHTJASDOLWRL-XHDPSFHLSA-N 1 0 312.816 3.281 10 0 DGAERO O=C(NC1CC1)[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000247558209 432240958 /nfs/dbraw/zinc/24/09/58/432240958.db2.gz RGNBVWLUZKQFNI-YSIASYRMSA-N 1 0 320.436 3.400 10 0 DGAERO Cc1ccc2[nH]c(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)cc2c1C ZINC000247566501 432241557 /nfs/dbraw/zinc/24/15/57/432241557.db2.gz VUNQHZPLDMXILU-UKRRQHHQSA-N 1 0 311.429 3.093 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C(C)C)C[C@@H](C)O1 ZINC000247599910 432243595 /nfs/dbraw/zinc/24/35/95/432243595.db2.gz UFUPCLGLSGAITH-BRWVUGGUSA-N 1 0 321.461 3.049 10 0 DGAERO CCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)oc1CC ZINC000247628604 432243955 /nfs/dbraw/zinc/24/39/55/432243955.db2.gz SMBJLJTUQHVNGS-HIFRSBDPSA-N 1 0 306.450 3.207 10 0 DGAERO Cc1cc(C)n(-c2ccc(C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)cc2)n1 ZINC000191283041 432244196 /nfs/dbraw/zinc/24/41/96/432244196.db2.gz GOBMCBMHNBLXFL-GJZGRUSLSA-N 1 0 313.445 3.223 10 0 DGAERO Cc1ccc(CN(C(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)C2CC2)o1 ZINC000247694565 432246954 /nfs/dbraw/zinc/24/69/54/432246954.db2.gz WMAJHFULIJGWSM-UONOGXRCSA-N 1 0 304.434 3.199 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1Cl ZINC000247685131 432247420 /nfs/dbraw/zinc/24/74/20/432247420.db2.gz UWSMQAMVMQGGPV-GJZGRUSLSA-N 1 0 321.852 3.108 10 0 DGAERO Cc1ccccc1CN(C(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC000362501033 271033701 /nfs/dbraw/zinc/03/37/01/271033701.db2.gz DXJMCJCQVSGXNN-UHFFFAOYSA-N 1 0 300.446 3.218 10 0 DGAERO C[C@H]1CCOCC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000367661263 271060033 /nfs/dbraw/zinc/06/00/33/271060033.db2.gz LAQFXVDZFXAFSK-HNNXBMFYSA-N 1 0 312.413 3.279 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368649306 271185137 /nfs/dbraw/zinc/18/51/37/271185137.db2.gz COKPQIJVVIITBR-SFHVURJKSA-N 1 0 324.424 3.228 10 0 DGAERO Cc1csc(NC2CCN(Cc3cnn(C(C)C)c3)CC2)n1 ZINC000368708289 271197352 /nfs/dbraw/zinc/19/73/52/271197352.db2.gz SKAURMNTEXJJCK-UHFFFAOYSA-N 1 0 319.478 3.305 10 0 DGAERO COc1cccc(C[N@@H+]2CC[C@@H](O)c3ccccc3C2)c1OC ZINC000368819538 271212269 /nfs/dbraw/zinc/21/22/69/271212269.db2.gz VLUMDJDPRPIBJL-QGZVFWFLSA-N 1 0 313.397 3.143 10 0 DGAERO c1cn(C2CCCC2)nc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000370566102 271369578 /nfs/dbraw/zinc/36/95/78/271369578.db2.gz RJWPAXUAFSDBDL-UHFFFAOYSA-N 1 0 316.493 3.306 10 0 DGAERO CCOc1ccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1F ZINC000247815051 432250951 /nfs/dbraw/zinc/25/09/51/432250951.db2.gz WAGWBZIYTFKGGY-MCIONIFRSA-N 1 0 322.424 3.102 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)CSC(C)(C)C)[C@@H]1c1ccccc1 ZINC000247922166 432253464 /nfs/dbraw/zinc/25/34/64/432253464.db2.gz BZPPNAAECAGORD-HOCLYGCPSA-N 1 0 306.475 3.080 10 0 DGAERO COCc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000247915707 432254888 /nfs/dbraw/zinc/25/48/88/432254888.db2.gz BAXHSWPJQCKKIS-RBUKOAKNSA-N 1 0 324.424 3.008 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191377118 432256712 /nfs/dbraw/zinc/25/67/12/432256712.db2.gz DGWAZOWUWLOJLB-NHYWBVRUSA-N 1 0 316.453 3.032 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191377088 432257241 /nfs/dbraw/zinc/25/72/41/432257241.db2.gz DGWAZOWUWLOJLB-XHDPSFHLSA-N 1 0 316.453 3.032 10 0 DGAERO CSCCCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247965420 432257634 /nfs/dbraw/zinc/25/76/34/432257634.db2.gz GSQRPLCSKRMXHD-NVXWUHKLSA-N 1 0 307.507 3.025 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cnn1C(C)(C)C ZINC000191378981 432258168 /nfs/dbraw/zinc/25/81/68/432258168.db2.gz ZNRWLYANQIIRNQ-ZQIUZPCESA-N 1 0 306.498 3.326 10 0 DGAERO COC1([C@H](C)[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CCOCC1 ZINC000453246496 274015812 /nfs/dbraw/zinc/01/58/12/274015812.db2.gz VDZQOTRJPUOZMH-QRTARXTBSA-N 1 0 307.409 3.245 10 0 DGAERO COC[C@H](O)CC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000090950132 274050782 /nfs/dbraw/zinc/05/07/82/274050782.db2.gz FGYXWXRRBGUYIZ-NVXWUHKLSA-N 1 0 319.445 3.200 10 0 DGAERO C[C@@H](CCSc1ccccc1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245688984 274210160 /nfs/dbraw/zinc/21/01/60/274210160.db2.gz OMNAMJJAGRWBCP-JKSUJKDBSA-N 1 0 316.474 3.486 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)c1ccc(-n2ccnn2)cc1 ZINC000187401236 274254484 /nfs/dbraw/zinc/25/44/84/274254484.db2.gz BAQFFOHXIGEHIF-KGLIPLIRSA-N 1 0 316.474 3.450 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC2)c2ccccc21 ZINC000185595161 274312326 /nfs/dbraw/zinc/31/23/26/274312326.db2.gz YONTYQUPATWFPA-RDTXWAMCSA-N 1 0 315.461 3.361 10 0 DGAERO COc1ccc(OC)c([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000247976905 432258893 /nfs/dbraw/zinc/25/88/93/432258893.db2.gz LILGJNYEXRLHGH-GRDNDAEWSA-N 1 0 306.450 3.083 10 0 DGAERO CCOc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000247980057 432258835 /nfs/dbraw/zinc/25/88/35/432258835.db2.gz HINPGEQNPHCJOT-OALUTQOASA-N 1 0 324.424 3.261 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000247976069 432258874 /nfs/dbraw/zinc/25/88/74/432258874.db2.gz KYFGDEWAHOCVMC-SOLBZPMBSA-N 1 0 310.445 3.038 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ccc1OC ZINC000247983226 432260109 /nfs/dbraw/zinc/26/01/09/432260109.db2.gz IPDJBRCFBPJHDQ-PWUKJLEFSA-N 1 0 319.445 3.306 10 0 DGAERO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCOc2ccccc21 ZINC000177612886 275008521 /nfs/dbraw/zinc/00/85/21/275008521.db2.gz DJSGOMXVCXHAKY-HNNXBMFYSA-N 1 0 314.429 3.067 10 0 DGAERO O[C@H]1c2ccccc2C[C@@H]1[NH+]1CCC(OCC2CCCC2)CC1 ZINC000182835778 275059555 /nfs/dbraw/zinc/05/95/55/275059555.db2.gz PZAULSLIHGCYPF-PMACEKPBSA-N 1 0 315.457 3.316 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3ccccc31)CC2 ZINC000112551621 275763037 /nfs/dbraw/zinc/76/30/37/275763037.db2.gz NCGJZHSNCHUOOV-NVXWUHKLSA-N 1 0 310.445 3.384 10 0 DGAERO CC1(C)CN(C(=O)c2cc3c(s2)CCCCC3)CC[C@@H]1[NH3+] ZINC000261679459 276127902 /nfs/dbraw/zinc/12/79/02/276127902.db2.gz MFNQSZBKMKXPAH-HNNXBMFYSA-N 1 0 306.475 3.216 10 0 DGAERO CC1(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)OCCCO1 ZINC000190640279 276168447 /nfs/dbraw/zinc/16/84/47/276168447.db2.gz UDHNPDKHWRELNC-OAHLLOKOSA-N 1 0 303.402 3.176 10 0 DGAERO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H]1CCCCO1 ZINC000120730333 276256061 /nfs/dbraw/zinc/25/60/61/276256061.db2.gz CRWWJPFHBHDONY-MRXNPFEDSA-N 1 0 307.434 3.485 10 0 DGAERO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000190560776 276387278 /nfs/dbraw/zinc/38/72/78/276387278.db2.gz SUCXPPCJQJQHAM-KRWDZBQOSA-N 1 0 313.507 3.414 10 0 DGAERO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093868745 276399394 /nfs/dbraw/zinc/39/93/94/276399394.db2.gz UWNACOHUXXYKEX-GOEBONIOSA-N 1 0 318.490 3.452 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000171084861 276835606 /nfs/dbraw/zinc/83/56/06/276835606.db2.gz NNTCXVATHYCOOE-SNVBAGLBSA-N 1 0 319.302 3.012 10 0 DGAERO Cc1ccc(-c2noc(NC[C@@H]3CC[N@@H+](C(C)C)C3)n2)cc1 ZINC000540906874 430182952 /nfs/dbraw/zinc/18/29/52/430182952.db2.gz YCTODXVREGLSPE-AWEZNQCLSA-N 1 0 300.406 3.187 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1ccccc1 ZINC000180185594 277169154 /nfs/dbraw/zinc/16/91/54/277169154.db2.gz OVOZNQCHLRYNOO-HKUYNNGSSA-N 1 0 319.408 3.343 10 0 DGAERO CNC(=O)c1cccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186216605 277260928 /nfs/dbraw/zinc/26/09/28/277260928.db2.gz UTOVXCLCGJQBQT-UHFFFAOYSA-N 1 0 306.409 3.094 10 0 DGAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000246829234 277272103 /nfs/dbraw/zinc/27/21/03/277272103.db2.gz BAHRJWGKQQQOOK-RDBSUJKOSA-N 1 0 306.454 3.064 10 0 DGAERO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000190102623 277349151 /nfs/dbraw/zinc/34/91/51/277349151.db2.gz VKJZFYSXUJDCSG-GJZGRUSLSA-N 1 0 307.438 3.356 10 0 DGAERO COC1([C@H](C)[NH2+]CCc2c(C)cc(C)cc2C)CCOCC1 ZINC000453062606 277473691 /nfs/dbraw/zinc/47/36/91/277473691.db2.gz PDYIUTAMLXTGNS-KRWDZBQOSA-N 1 0 305.462 3.328 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@@H]2CCCc3ccccc32)CCOCC1 ZINC000453081726 277473710 /nfs/dbraw/zinc/47/37/10/277473710.db2.gz UQJKXGJDCZUHSY-RDJZCZTQSA-N 1 0 303.446 3.280 10 0 DGAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000185368989 278264342 /nfs/dbraw/zinc/26/43/42/278264342.db2.gz XLWUIMMZGCJERA-GFCCVEGCSA-N 1 0 324.827 3.063 10 0 DGAERO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1cccs1 ZINC000182547826 278342279 /nfs/dbraw/zinc/34/22/79/278342279.db2.gz LEUPGKMWUKFZDM-SNVBAGLBSA-N 1 0 307.394 3.149 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccnn1C ZINC000192671412 278357303 /nfs/dbraw/zinc/35/73/03/278357303.db2.gz LSLCFNAWDCBOEM-SECBINFHSA-N 1 0 301.287 3.429 10 0 DGAERO CC(C)(C)OC(=O)CCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128753963 278373236 /nfs/dbraw/zinc/37/32/36/278373236.db2.gz JCIFZCQYPVCEQL-LSDHHAIUSA-N 1 0 307.438 3.078 10 0 DGAERO C[C@H]1CCc2sc(C(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)cc2C1 ZINC000262006377 278390415 /nfs/dbraw/zinc/39/04/15/278390415.db2.gz NVDGDAAJDXJRHE-XHDPSFHLSA-N 1 0 306.475 3.072 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261990216 278560701 /nfs/dbraw/zinc/56/07/01/278560701.db2.gz SPSLXJYTWZRRJX-IPMKNSEASA-N 1 0 316.489 3.231 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000068258879 431117596 /nfs/dbraw/zinc/11/75/96/431117596.db2.gz UMLUGWHEVLXKQF-QGZVFWFLSA-N 1 0 310.397 3.002 10 0 DGAERO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262242395 279002429 /nfs/dbraw/zinc/00/24/29/279002429.db2.gz BTJPRERZXJQKHC-VWNJHIHFSA-N 1 0 304.409 3.048 10 0 DGAERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000470941197 279098556 /nfs/dbraw/zinc/09/85/56/279098556.db2.gz UCUINIVSLMKKDL-UPJWGTAASA-N 1 0 320.399 3.296 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)NCC1(C)CCC1)c1ccco1 ZINC000177457242 279162495 /nfs/dbraw/zinc/16/24/95/279162495.db2.gz DVJKIBMEROTLKX-CQSZACIVSA-N 1 0 307.438 3.152 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(F)cc1C(F)(F)F)[S@](C)=O ZINC000157654746 279266610 /nfs/dbraw/zinc/26/66/10/279266610.db2.gz DSPVGOFUXUSOLZ-GSDQLPOLSA-N 1 0 311.344 3.091 10 0 DGAERO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@H+](C)[C@H](C)C[S@](C)=O ZINC000281133594 279379620 /nfs/dbraw/zinc/37/96/20/279379620.db2.gz DERKUSCKVVSSCV-ZSMADZGOSA-N 1 0 321.408 3.335 10 0 DGAERO C[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000157938857 279393568 /nfs/dbraw/zinc/39/35/68/279393568.db2.gz IJXNVNWBZCJXED-KYNGSXCRSA-N 1 0 308.425 3.311 10 0 DGAERO Clc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000109821408 431178726 /nfs/dbraw/zinc/17/87/26/431178726.db2.gz RTUCPISJASLZDC-KRWDZBQOSA-N 1 0 308.853 3.027 10 0 DGAERO C[N@H+](CCNC(=O)CCc1ccc(F)cc1)C1CCCCC1 ZINC000068904992 431149538 /nfs/dbraw/zinc/14/95/38/431149538.db2.gz HICVWPAGFLDPDK-UHFFFAOYSA-N 1 0 306.425 3.139 10 0 DGAERO Fc1ccc(CC[NH+](C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1 ZINC000078617163 279461653 /nfs/dbraw/zinc/46/16/53/279461653.db2.gz WRXUKTRDLUTVLM-ROUUACIJSA-N 1 0 307.409 3.028 10 0 DGAERO CSc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)o1 ZINC000112231173 431257861 /nfs/dbraw/zinc/25/78/61/431257861.db2.gz OQMOQEYFNMYNPP-CYBMUJFWSA-N 1 0 304.415 3.034 10 0 DGAERO Cc1cc2oc(=O)cc(C[NH+]3CCC([C@H](C)O)CC3)c2cc1C ZINC000111287630 431207982 /nfs/dbraw/zinc/20/79/82/431207982.db2.gz ZQKKPQXLEKEIQI-AWEZNQCLSA-N 1 0 315.413 3.003 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(CCSC)cc2)C1 ZINC000069683513 431214301 /nfs/dbraw/zinc/21/43/01/431214301.db2.gz NSLWLVNQHZALRI-INIZCTEOSA-N 1 0 321.490 3.198 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000111633266 431227218 /nfs/dbraw/zinc/22/72/18/431227218.db2.gz XZYBKGWOUJFZDE-UYAOXDASSA-N 1 0 322.452 3.006 10 0 DGAERO CC(=O)OC1[C@H](c2ccccc2)C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000001593579 431232629 /nfs/dbraw/zinc/23/26/29/431232629.db2.gz XLBMAPKTUAGXGL-YOFSQIOKSA-N 1 0 309.409 3.431 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070726732 431256701 /nfs/dbraw/zinc/25/67/01/431256701.db2.gz SRMDONAPZVRGJQ-GWCFXTLKSA-N 1 0 315.244 3.469 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3ccccc31)CC2 ZINC000112551623 431282059 /nfs/dbraw/zinc/28/20/59/431282059.db2.gz NCGJZHSNCHUOOV-DOTOQJQBSA-N 1 0 310.445 3.384 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000112549860 431283184 /nfs/dbraw/zinc/28/31/84/431283184.db2.gz MJDCVXOFTJUWPD-XJKSGUPXSA-N 1 0 316.836 3.450 10 0 DGAERO CCc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000071790583 431286074 /nfs/dbraw/zinc/28/60/74/431286074.db2.gz HWCYYBUXMLERQY-HOTGVXAUSA-N 1 0 304.434 3.301 10 0 DGAERO Cc1cc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])ccc1F ZINC000071790686 431287186 /nfs/dbraw/zinc/28/71/86/431287186.db2.gz ICOLWTXKPZRXGW-UKRRQHHQSA-N 1 0 308.397 3.186 10 0 DGAERO COC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000112986925 431319217 /nfs/dbraw/zinc/31/92/17/431319217.db2.gz FFHDVHKCVFBHET-CQSZACIVSA-N 1 0 316.401 3.209 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2s1 ZINC000113223377 431334762 /nfs/dbraw/zinc/33/47/62/431334762.db2.gz YIAULTURXAXDDU-GXTWGEPZSA-N 1 0 300.427 3.210 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000113226150 431334793 /nfs/dbraw/zinc/33/47/93/431334793.db2.gz SHHSNGKDNYIZSE-XJKSGUPXSA-N 1 0 318.848 3.067 10 0 DGAERO CCCCOc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113226700 431335319 /nfs/dbraw/zinc/33/53/19/431335319.db2.gz IZWOCGMSHWZAIR-RDJZCZTQSA-N 1 0 316.445 3.174 10 0 DGAERO CC(C)COc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113233816 431336304 /nfs/dbraw/zinc/33/63/04/431336304.db2.gz RSBJNMRTJOCYQZ-DOTOQJQBSA-N 1 0 316.445 3.030 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000113222679 431336350 /nfs/dbraw/zinc/33/63/50/431336350.db2.gz YLHFWPQVZZKQJL-BASLNEPJSA-N 1 0 318.848 3.139 10 0 DGAERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1SC ZINC000113266881 431338612 /nfs/dbraw/zinc/33/86/12/431338612.db2.gz FHZHWWZHRXFCFK-UKRRQHHQSA-N 1 0 306.475 3.086 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(C2CCCC2)n1 ZINC000113270243 431339340 /nfs/dbraw/zinc/33/93/40/431339340.db2.gz MOZNWMYNUAUTQI-CZUORRHYSA-N 1 0 305.491 3.469 10 0 DGAERO CC(C)[NH+](CCCNC(=O)[C@H](C)Cc1ccccc1)C(C)C ZINC000074330015 431412967 /nfs/dbraw/zinc/41/29/67/431412967.db2.gz NPJUXOFPNYIMSN-QGZVFWFLSA-N 1 0 304.478 3.490 10 0 DGAERO C[C@H](CNC(=O)Nc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000074455585 431422519 /nfs/dbraw/zinc/42/25/19/431422519.db2.gz AWETWTOXZUWZCF-OAHLLOKOSA-N 1 0 309.413 3.255 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1sc(C)cc1OC(F)F ZINC000114378360 431384599 /nfs/dbraw/zinc/38/45/99/431384599.db2.gz HTRWOWIMKSQZEC-SECBINFHSA-N 1 0 320.405 3.118 10 0 DGAERO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114483942 431389994 /nfs/dbraw/zinc/38/99/94/431389994.db2.gz KOTAHXZGHRVUJB-QGZVFWFLSA-N 1 0 301.390 3.024 10 0 DGAERO c1cnn(CC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000114481629 431391095 /nfs/dbraw/zinc/39/10/95/431391095.db2.gz PDBGWWAYUSENTA-QGZVFWFLSA-N 1 0 321.428 3.153 10 0 DGAERO C[NH+](C)Cc1cccc(CNC(=O)C(C)(C)c2cccs2)c1 ZINC000115326721 431446523 /nfs/dbraw/zinc/44/65/23/431446523.db2.gz FKGVUWFGUWJMNS-UHFFFAOYSA-N 1 0 316.470 3.404 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2cccs2)C1 ZINC000115349882 431451254 /nfs/dbraw/zinc/45/12/54/431451254.db2.gz AWTGKGGQNFGHOE-AWEZNQCLSA-N 1 0 308.491 3.262 10 0 DGAERO Fc1ccc(OC2CC[NH+](CCOCC(F)(F)F)CC2)cc1 ZINC000115557644 431461544 /nfs/dbraw/zinc/46/15/44/431461544.db2.gz WXPCQJRWKYUHCA-UHFFFAOYSA-N 1 0 321.314 3.248 10 0 DGAERO CN(CC1CCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075315147 431467649 /nfs/dbraw/zinc/46/76/49/431467649.db2.gz BTDNRDMFEHVBCT-ALOPSCKCSA-N 1 0 307.482 3.223 10 0 DGAERO C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115782604 431473135 /nfs/dbraw/zinc/47/31/35/431473135.db2.gz LVWXEGQCWHQOQF-SUMWQHHRSA-N 1 0 321.440 3.265 10 0 DGAERO CSc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000074512600 431428513 /nfs/dbraw/zinc/42/85/13/431428513.db2.gz SYDHGLJZFPFQGF-AWEZNQCLSA-N 1 0 306.475 3.289 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116536641 431516942 /nfs/dbraw/zinc/51/69/42/431516942.db2.gz CONPCYWDFMSLIP-BZUAXINKSA-N 1 0 319.449 3.247 10 0 DGAERO Cc1ccc2[nH]c(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cc2c1C ZINC000116764606 431524028 /nfs/dbraw/zinc/52/40/28/431524028.db2.gz VUNQHZPLDMXILU-ZFWWWQNUSA-N 1 0 311.429 3.093 10 0 DGAERO CC(C)[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cc1F ZINC000262375081 279897993 /nfs/dbraw/zinc/89/79/93/279897993.db2.gz MUYQHRKYBBKKRV-MQIPJXDCSA-N 1 0 310.388 3.166 10 0 DGAERO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000011754264 431482368 /nfs/dbraw/zinc/48/23/68/431482368.db2.gz KYXUQCPRIDRANM-ZDUSSCGKSA-N 1 0 308.303 3.214 10 0 DGAERO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116295979 431505077 /nfs/dbraw/zinc/50/50/77/431505077.db2.gz VCRBRILXXWQEAF-JKSUJKDBSA-N 1 0 301.386 3.165 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@H]1c1ccco1 ZINC000116422115 431509079 /nfs/dbraw/zinc/50/90/79/431509079.db2.gz KQIJEDBTEVHYGT-HNNXBMFYSA-N 1 0 305.422 3.002 10 0 DGAERO Cc1cc(C)cc(OCCC[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116407550 431510941 /nfs/dbraw/zinc/51/09/41/431510941.db2.gz BIQDEHZBPRNFPR-KRWDZBQOSA-N 1 0 313.445 3.295 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccco1)[N@@H+]1CCC[C@@H](C)C1 ZINC000116432106 431513801 /nfs/dbraw/zinc/51/38/01/431513801.db2.gz OECOFNQSVVSFAW-OWCLPIDISA-N 1 0 319.449 3.247 10 0 DGAERO COc1ccccc1-c1cc2ncccc2c(NCCC[NH3+])n1 ZINC000013489156 431558114 /nfs/dbraw/zinc/55/81/14/431558114.db2.gz JKDZAKZAUGCLDQ-UHFFFAOYSA-N 1 0 308.385 3.066 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@@H](C)c3ccccc3)C2)n1 ZINC000116878895 431534371 /nfs/dbraw/zinc/53/43/71/431534371.db2.gz VRGCVMIFYALFDC-QAPCUYQASA-N 1 0 312.461 3.411 10 0 DGAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccc(C(N)=O)cc3)C2)cc1 ZINC000076391001 431546474 /nfs/dbraw/zinc/54/64/74/431546474.db2.gz MFPCOJUHUKQAQP-KDOFPFPSSA-N 1 0 324.424 3.172 10 0 DGAERO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3nc(C4CC4)no3)C2)cc1 ZINC000076390206 431547464 /nfs/dbraw/zinc/54/74/64/431547464.db2.gz VASALCOXQYEVBW-WFASDCNBSA-N 1 0 313.401 3.334 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCc2ccccc2)[C@H](C)C1 ZINC000076482430 431551989 /nfs/dbraw/zinc/55/19/89/431551989.db2.gz RAIZDBNTGIPXHI-SJLPKXTDSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@]1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1(Cl)Cl ZINC000177408784 280146859 /nfs/dbraw/zinc/14/68/59/280146859.db2.gz RCNNHYLYPXYDHK-CQSZACIVSA-N 1 0 319.276 3.094 10 0 DGAERO O=C(c1csc(Cl)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000189261747 280236343 /nfs/dbraw/zinc/23/63/43/280236343.db2.gz TUDOKWWTXLAQSR-ZDUSSCGKSA-N 1 0 312.866 3.492 10 0 DGAERO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)c3ccncc3)C2=O)c(C)c1 ZINC000191081568 280387809 /nfs/dbraw/zinc/38/78/09/280387809.db2.gz NWLBFOJDHRCHHS-WMZOPIPTSA-N 1 0 323.440 3.463 10 0 DGAERO CC[C@@]12CC[N@H+](CC3(O)CC3)[C@@H](Cc3ccc(O)cc31)C2(C)C ZINC000014952631 431598692 /nfs/dbraw/zinc/59/86/92/431598692.db2.gz ZDXGFIXMPOUDFF-FXAWDEMLSA-N 1 0 315.457 3.222 10 0 in-man DGAERO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000077356978 431588406 /nfs/dbraw/zinc/58/84/06/431588406.db2.gz KMOGAIFQUHVOOZ-UHFFFAOYSA-N 1 0 324.852 3.476 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Cl)cc1F ZINC000119184883 431656776 /nfs/dbraw/zinc/65/67/76/431656776.db2.gz OYPJHLFMULTGAB-WBMJQRKESA-N 1 0 324.827 3.344 10 0 DGAERO C[C@@H]1SCC[N@H+](C[C@H](O)COC(C)(C)C)[C@H]1c1ccccc1 ZINC000118534728 431605997 /nfs/dbraw/zinc/60/59/97/431605997.db2.gz TZCKSLHRJNXOIG-BHYGNILZSA-N 1 0 323.502 3.341 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccc(F)c(F)c1 ZINC000078586947 431684847 /nfs/dbraw/zinc/68/48/47/431684847.db2.gz CBLBSHHOUZIGIH-MNOVXSKESA-N 1 0 324.396 3.382 10 0 DGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000078691207 431696211 /nfs/dbraw/zinc/69/62/11/431696211.db2.gz HXKORBQWRJRJIX-NEPJUHHUSA-N 1 0 310.413 3.178 10 0 DGAERO CC1CC[NH+](CCCNC(=O)c2cccc3ncccc32)CC1 ZINC000028070551 431700616 /nfs/dbraw/zinc/70/06/16/431700616.db2.gz HODJSAHFMKAAQD-UHFFFAOYSA-N 1 0 311.429 3.087 10 0 DGAERO Cc1ccccc1SCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000119524966 431704112 /nfs/dbraw/zinc/70/41/12/431704112.db2.gz VTSXCEIONOUDMP-HZPDHXFCSA-N 1 0 318.486 3.030 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000079495332 431725320 /nfs/dbraw/zinc/72/53/20/431725320.db2.gz MGLBTSVWTNWGQC-FUHWJXTLSA-N 1 0 317.477 3.292 10 0 DGAERO Cn1ncc2c1CCC[C@H]2NC1CC[NH+](CC2CCCC2)CC1 ZINC000120756799 431732648 /nfs/dbraw/zinc/73/26/48/431732648.db2.gz RWJQHMHTUSZGNQ-GOSISDBHSA-N 1 0 316.493 3.042 10 0 DGAERO CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCCO2 ZINC000126715571 280628402 /nfs/dbraw/zinc/62/84/02/280628402.db2.gz DZIBJPBBUAURCQ-WBVHZDCISA-N 1 0 316.445 3.234 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1c1ccccc1 ZINC000079253335 431718364 /nfs/dbraw/zinc/71/83/64/431718364.db2.gz DBDUXEPSCHTTMW-WBVHZDCISA-N 1 0 303.450 3.263 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000081578621 431796710 /nfs/dbraw/zinc/79/67/10/431796710.db2.gz YBXNWXXZGKLKAV-UONOGXRCSA-N 1 0 308.470 3.092 10 0 DGAERO COc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000121533527 431800400 /nfs/dbraw/zinc/80/04/00/431800400.db2.gz JRFTTYVWTQWQKU-UHFFFAOYSA-N 1 0 322.412 3.118 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)cc1Br ZINC000122129218 431814009 /nfs/dbraw/zinc/81/40/09/431814009.db2.gz FSFURSMJCMZWMC-DIFFPNOSSA-N 1 0 318.280 3.004 10 0 DGAERO CCCC1(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000121299196 431766685 /nfs/dbraw/zinc/76/66/85/431766685.db2.gz ICRJEAWFSYXLBF-UHFFFAOYSA-N 1 0 321.440 3.267 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc3ccccc3c2)n(C)n1 ZINC000121311816 431770562 /nfs/dbraw/zinc/77/05/62/431770562.db2.gz NCJLOIIPBCBTBV-AWEZNQCLSA-N 1 0 322.412 3.171 10 0 DGAERO COCCN(Cc1noc(-c2ccccc2C)n1)CC(C)C ZINC000122649521 431840161 /nfs/dbraw/zinc/84/01/61/431840161.db2.gz NZOHSXBOXHTCRG-UHFFFAOYSA-N 1 0 303.406 3.149 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](CC3CCC(C)CC3)CCO2)n1 ZINC000122665592 431840814 /nfs/dbraw/zinc/84/08/14/431840814.db2.gz YUPVVPLDICFMEQ-UYJHFMRCSA-N 1 0 305.466 3.027 10 0 DGAERO Cc1cc2cc(NC(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)ccc2[nH]1 ZINC000122706590 431842608 /nfs/dbraw/zinc/84/26/08/431842608.db2.gz ADWOMVFJFDENJI-SJCJKPOMSA-N 1 0 314.433 3.327 10 0 DGAERO CC[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cccs1 ZINC000036932396 431842869 /nfs/dbraw/zinc/84/28/69/431842869.db2.gz AZLCEZBVLLQODT-CQSZACIVSA-N 1 0 302.447 3.248 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccs1 ZINC000037090050 431843917 /nfs/dbraw/zinc/84/39/17/431843917.db2.gz BJVAHAVWLRYVBE-ZIAGYGMSSA-N 1 0 302.447 3.248 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000037166685 431844737 /nfs/dbraw/zinc/84/47/37/431844737.db2.gz ACSCIBUARUKGEU-CQSZACIVSA-N 1 0 300.393 3.354 10 0 DGAERO C[C@H]1CN(CCOc2c(Cl)cccc2Cl)[C@@H](C)C[NH2+]1 ZINC000086470717 431845784 /nfs/dbraw/zinc/84/57/84/431845784.db2.gz DVDBUBRZRJDCKF-QWRGUYRKSA-N 1 0 303.233 3.054 10 0 DGAERO Cc1ccc(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000123039124 431853166 /nfs/dbraw/zinc/85/31/66/431853166.db2.gz XWHKCJZHJPYDOR-SJORKVTESA-N 1 0 318.461 3.013 10 0 DGAERO Clc1cc(C[NH2+]CC[C@@H]2CCCO2)cc2c1OCCCO2 ZINC000037988846 431853255 /nfs/dbraw/zinc/85/32/55/431853255.db2.gz XTPFDWCIHNXGGI-ZDUSSCGKSA-N 1 0 311.809 3.160 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)c1nc2ccccc2n1C ZINC000123107253 431855184 /nfs/dbraw/zinc/85/51/84/431855184.db2.gz YFCIUXTYYYMLFZ-GJZGRUSLSA-N 1 0 302.466 3.200 10 0 DGAERO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cccc2ncccc21 ZINC000088250547 431856285 /nfs/dbraw/zinc/85/62/85/431856285.db2.gz OOCUBMRHNLQESP-UHFFFAOYSA-N 1 0 323.396 3.032 10 0 DGAERO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000088230566 431856470 /nfs/dbraw/zinc/85/64/70/431856470.db2.gz LXSUSIXPRODSHV-ROUUACIJSA-N 1 0 318.461 3.386 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000089165111 431860920 /nfs/dbraw/zinc/86/09/20/431860920.db2.gz QAKVIQITAWAQNK-ADNDVJRGSA-N 1 0 324.262 3.446 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc(C)n1-c1ccccc1 ZINC000123410495 431864261 /nfs/dbraw/zinc/86/42/61/431864261.db2.gz NHQDVAIVSLTMGC-GOSISDBHSA-N 1 0 312.461 3.097 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123460161 431865979 /nfs/dbraw/zinc/86/59/79/431865979.db2.gz JSNBXIRDMLLTIP-BRWVUGGUSA-N 1 0 302.462 3.430 10 0 DGAERO Cc1noc(CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)n1 ZINC000089518247 431869086 /nfs/dbraw/zinc/86/90/86/431869086.db2.gz GCJXTBKXGZKEGJ-ZDUSSCGKSA-N 1 0 307.781 3.077 10 0 DGAERO CC[C@H]([NH2+]CCc1nc(C)no1)c1ccccc1OC(F)F ZINC000089517698 431869184 /nfs/dbraw/zinc/86/91/84/431869184.db2.gz NVXWYFPRAWMNAG-LBPRGKRZSA-N 1 0 311.332 3.263 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000043722695 431870437 /nfs/dbraw/zinc/87/04/37/431870437.db2.gz JPMASEXDVUEKBZ-GOEBONIOSA-N 1 0 321.465 3.460 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccs2)o1 ZINC000089641259 431873938 /nfs/dbraw/zinc/87/39/38/431873938.db2.gz ITAXHWJBGPZZEL-LBPRGKRZSA-N 1 0 306.431 3.374 10 0 DGAERO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C)nc2C)CC1 ZINC000123652590 431870651 /nfs/dbraw/zinc/87/06/51/431870651.db2.gz QPDRQFZPJXFUGQ-UHFFFAOYSA-N 1 0 317.477 3.283 10 0 DGAERO CCCCSCCC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000122301084 431826603 /nfs/dbraw/zinc/82/66/03/431826603.db2.gz BUORUMJNGSQIHU-UHFFFAOYSA-N 1 0 323.506 3.352 10 0 DGAERO NC(=O)C1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000035255375 431828526 /nfs/dbraw/zinc/82/85/26/431828526.db2.gz LKGSZUDPEZUUSW-UHFFFAOYSA-N 1 0 301.217 3.127 10 0 DGAERO Cc1ccc(/C=C/CC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000084743438 431833304 /nfs/dbraw/zinc/83/33/04/431833304.db2.gz LZUUZMRPFHFBEU-ONEGZZNKSA-N 1 0 300.446 3.246 10 0 DGAERO COCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccccc1 ZINC000036095413 431835048 /nfs/dbraw/zinc/83/50/48/431835048.db2.gz GGFOMICDPBUAGP-SFHVURJKSA-N 1 0 303.377 3.008 10 0 DGAERO COCC[N@@H+](Cc1ccc(C)s1)C[C@H](O)c1ccccc1 ZINC000036100999 431835747 /nfs/dbraw/zinc/83/57/47/431835747.db2.gz WQWWYQGDJMYFBK-KRWDZBQOSA-N 1 0 305.443 3.239 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](CC3CCCCCC3)CCO2)n1 ZINC000122531223 431836490 /nfs/dbraw/zinc/83/64/90/431836490.db2.gz XXCDNHOQPVGCEC-SFHVURJKSA-N 1 0 305.466 3.171 10 0 DGAERO CCn1cc[nH+]c1NCc1cc(Br)cc2c1OCC2 ZINC000122593269 431838348 /nfs/dbraw/zinc/83/83/48/431838348.db2.gz IKPQXCXFWNFMPU-UHFFFAOYSA-N 1 0 322.206 3.213 10 0 DGAERO C[NH+](C)CCOc1ccccc1C(=O)NCCC1=CCCCC1 ZINC000047295553 431908016 /nfs/dbraw/zinc/90/80/16/431908016.db2.gz HFOCELDPTQGHFS-UHFFFAOYSA-N 1 0 316.445 3.247 10 0 DGAERO CCCCNC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000047595648 431912711 /nfs/dbraw/zinc/91/27/11/431912711.db2.gz WTBVGOQDOVFJDS-UHFFFAOYSA-N 1 0 303.450 3.059 10 0 DGAERO CC(C)[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000047684830 431914719 /nfs/dbraw/zinc/91/47/19/431914719.db2.gz OIPJTZRKQYRXCX-WBVHZDCISA-N 1 0 303.450 3.167 10 0 DGAERO O=C(NCCC1CCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000047883225 431916588 /nfs/dbraw/zinc/91/65/88/431916588.db2.gz VLGKWASUGOFEJV-INIZCTEOSA-N 1 0 319.449 3.296 10 0 DGAERO CSc1nc(Cl)cc(OCCC[C@H]2CCC[NH2+]C2)n1 ZINC000095071798 431920410 /nfs/dbraw/zinc/92/04/10/431920410.db2.gz OGCVSHNKCRIRGK-SNVBAGLBSA-N 1 0 301.843 3.011 10 0 DGAERO Brc1ccc(C[C@H]2COCC[C@H]2[NH2+]C2CC2)cc1 ZINC000095079472 431921707 /nfs/dbraw/zinc/92/17/07/431921707.db2.gz BDCJZGMUZJZHKA-SWLSCSKDSA-N 1 0 310.235 3.149 10 0 DGAERO CCc1ccc([C@H](C)N[C@@H]2CCCn3nc(COC)nc32)s1 ZINC000125392442 431923877 /nfs/dbraw/zinc/92/38/77/431923877.db2.gz YAHUKUVTAAFBKJ-WCQYABFASA-N 1 0 320.462 3.234 10 0 DGAERO c1ccc(C[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000089732172 431875947 /nfs/dbraw/zinc/87/59/47/431875947.db2.gz YHWNWBAKPMTYKY-MOPGFXCFSA-N 1 0 322.456 3.056 10 0 DGAERO CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732178 431876443 /nfs/dbraw/zinc/87/64/43/431876443.db2.gz QBZRCVOZTDTVAX-OALUTQOASA-N 1 0 324.472 3.446 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(-n3cccc3)c2)CC[N@@H+]1C ZINC000123881268 431876707 /nfs/dbraw/zinc/87/67/07/431876707.db2.gz WNDLOOFJJZQTOT-RDJZCZTQSA-N 1 0 311.429 3.032 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1C ZINC000089733464 431876899 /nfs/dbraw/zinc/87/68/99/431876899.db2.gz QYKQYIPDJXRKTJ-IRXDYDNUSA-N 1 0 310.445 3.413 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cccc3)cc2)CC[N@@H+]1C ZINC000124171957 431885256 /nfs/dbraw/zinc/88/52/56/431885256.db2.gz TWOAXIHTZHVRLM-MAUKXSAKSA-N 1 0 311.429 3.032 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CSCc1ccccn1 ZINC000124251563 431888153 /nfs/dbraw/zinc/88/81/53/431888153.db2.gz IYVIKUPPMJFCAL-UHFFFAOYSA-N 1 0 315.442 3.063 10 0 DGAERO CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)c1nccs1 ZINC000124286459 431888498 /nfs/dbraw/zinc/88/84/98/431888498.db2.gz QPNCAUIJCCBPHW-ZIAGYGMSSA-N 1 0 324.494 3.014 10 0 DGAERO c1cc(-c2noc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)n2)co1 ZINC000124307836 431889551 /nfs/dbraw/zinc/88/95/51/431889551.db2.gz UPANDSNBTSHTGH-HNNXBMFYSA-N 1 0 309.369 3.394 10 0 DGAERO COc1cccc(C(=O)NCCCCC[NH+]2CCCCC2)c1F ZINC000090407690 431891126 /nfs/dbraw/zinc/89/11/26/431891126.db2.gz CYSZVFXWELHPMB-UHFFFAOYSA-N 1 0 322.424 3.220 10 0 DGAERO CCCOc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124375215 431891571 /nfs/dbraw/zinc/89/15/71/431891571.db2.gz BHELHYRKCFIHNQ-GDBMZVCRSA-N 1 0 304.434 3.030 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)CCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000124376975 431891700 /nfs/dbraw/zinc/89/17/00/431891700.db2.gz HXQXOOSTKSLBEG-NWDGAFQWSA-N 1 0 314.882 3.275 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(OC)c1F)CC(C)C ZINC000090614562 431894047 /nfs/dbraw/zinc/89/40/47/431894047.db2.gz LJSZCAJWFROHER-CQSZACIVSA-N 1 0 324.440 3.321 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)C2(c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000124512725 431896412 /nfs/dbraw/zinc/89/64/12/431896412.db2.gz DUPSDOYGNNPRFN-BBRMVZONSA-N 1 0 320.864 3.313 10 0 DGAERO CC(C)C(=O)NCCC[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000090881294 431897007 /nfs/dbraw/zinc/89/70/07/431897007.db2.gz KPXNTNNTTHCSDL-OAHLLOKOSA-N 1 0 322.424 3.180 10 0 DGAERO CC(C)NC(=O)CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000046502639 431898331 /nfs/dbraw/zinc/89/83/31/431898331.db2.gz CMGACBSPRSGPRH-UHFFFAOYSA-N 1 0 302.340 3.052 10 0 DGAERO CC(C)NC(=O)CC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000046502641 431898359 /nfs/dbraw/zinc/89/83/59/431898359.db2.gz RBVSNMZHDVBYSJ-UHFFFAOYSA-N 1 0 303.233 3.340 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000090938221 431898587 /nfs/dbraw/zinc/89/85/87/431898587.db2.gz CRLGQHDKIBQIEZ-CVEARBPZSA-N 1 0 321.424 3.444 10 0 DGAERO Cc1ccc(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124615217 431899197 /nfs/dbraw/zinc/89/91/97/431899197.db2.gz KTXVSSWBBFWVMC-NVXWUHKLSA-N 1 0 302.462 3.214 10 0 DGAERO Cc1ccc([C@@H]2CCCCN2CC(=O)N2CCC(C)CC2)o1 ZINC000124647644 431900132 /nfs/dbraw/zinc/90/01/32/431900132.db2.gz AXFOHLNBGLCXMK-INIZCTEOSA-N 1 0 304.434 3.374 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(c2ccccc2)CCC1 ZINC000046858036 431901105 /nfs/dbraw/zinc/90/11/05/431901105.db2.gz GLAMQYIDXVHHPH-MRXNPFEDSA-N 1 0 300.446 3.099 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000046858326 431901944 /nfs/dbraw/zinc/90/19/44/431901944.db2.gz ZKWJCRMIOQZZNL-OAHLLOKOSA-N 1 0 318.436 3.238 10 0 DGAERO O=C(c1ccc(F)c(Cl)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000127458503 431972818 /nfs/dbraw/zinc/97/28/18/431972818.db2.gz PGQZYWAXZNVYND-UHFFFAOYSA-N 1 0 324.827 3.427 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2ncccc21 ZINC000097667771 431973306 /nfs/dbraw/zinc/97/33/06/431973306.db2.gz FIAYYWOHZWDBOM-HUUCEWRRSA-N 1 0 311.429 3.085 10 0 DGAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127653276 431977191 /nfs/dbraw/zinc/97/71/91/431977191.db2.gz CWTZLULXFNPGSB-AWEZNQCLSA-N 1 0 323.506 3.314 10 0 DGAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000125519944 431928485 /nfs/dbraw/zinc/92/84/85/431928485.db2.gz BNGQBPHDFQVILV-BLLLJJGKSA-N 1 0 312.479 3.015 10 0 DGAERO Cc1cccc(NC2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)c1 ZINC000125681442 431933174 /nfs/dbraw/zinc/93/31/74/431933174.db2.gz BDRAKKXPKSBQBU-GOSISDBHSA-N 1 0 320.477 3.047 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(Cl)ccc1Cl ZINC000125800891 431935990 /nfs/dbraw/zinc/93/59/90/431935990.db2.gz LJSCXRLGXIAZKT-NHYWBVRUSA-N 1 0 318.244 3.433 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)Nc1nccs1 ZINC000126200536 431944351 /nfs/dbraw/zinc/94/43/51/431944351.db2.gz DKPPGPJSFIIOOU-NXEZZACHSA-N 1 0 309.822 3.474 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000126250564 431946127 /nfs/dbraw/zinc/94/61/27/431946127.db2.gz CWONLZCOUCEJOI-UHOSZYNNSA-N 1 0 319.493 3.087 10 0 DGAERO CCOC(=O)CC[N@H+](C)CCOc1c(Cl)cccc1Cl ZINC000050067462 431946222 /nfs/dbraw/zinc/94/62/22/431946222.db2.gz MQMITFYXQQDHRQ-UHFFFAOYSA-N 1 0 320.216 3.257 10 0 DGAERO C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1COc2ccccc21 ZINC000126398448 431949091 /nfs/dbraw/zinc/94/90/91/431949091.db2.gz NUMAWHPOWSQJLU-KSSFIOAISA-N 1 0 324.424 3.043 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OC(C)C)cc2F)C1 ZINC000052265184 431955766 /nfs/dbraw/zinc/95/57/66/431955766.db2.gz OMNQWLMAZTZISS-ZDUSSCGKSA-N 1 0 323.412 3.219 10 0 DGAERO C[C@H]1C[N@H+](CCc2ccncc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126797017 431957541 /nfs/dbraw/zinc/95/75/41/431957541.db2.gz BPUYZFYKFYJILJ-KBXCAEBGSA-N 1 0 300.377 3.225 10 0 DGAERO C[N@H+](C[C@H](O)COC(C)(C)C)CC12CC3CC(CC(C3)C1)C2 ZINC000052816730 431958278 /nfs/dbraw/zinc/95/82/78/431958278.db2.gz IYBWXCLVPLNHPA-WCWCZOKXSA-N 1 0 309.494 3.311 10 0 DGAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000052761828 431958852 /nfs/dbraw/zinc/95/88/52/431958852.db2.gz NIQAZANTEOOBKA-CYBMUJFWSA-N 1 0 316.214 3.325 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(cccc3F)[nH]2)[C@H](C)C1 ZINC000127393736 431970494 /nfs/dbraw/zinc/97/04/94/431970494.db2.gz MVXFEKKTNDRBFZ-PXAZEXFGSA-N 1 0 317.408 3.109 10 0 DGAERO CC(=O)N1CCC([NH2+][C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000127854038 431982317 /nfs/dbraw/zinc/98/23/17/431982317.db2.gz BOMLDDZKXWQRDB-CYBMUJFWSA-N 1 0 312.866 3.379 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)[C@@H](C)C2 ZINC000250144477 281124657 /nfs/dbraw/zinc/12/46/57/281124657.db2.gz ZQVZUWHLJKEJLQ-PMUMKWKESA-N 1 0 321.486 3.031 10 0 DGAERO CC(C)Cc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1 ZINC000101543389 431985313 /nfs/dbraw/zinc/98/53/13/431985313.db2.gz WNXZUBYAJGHBFV-UHFFFAOYSA-N 1 0 302.462 3.185 10 0 DGAERO CC[C@@H](C)Oc1ccc(NC(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000056752840 431989012 /nfs/dbraw/zinc/98/90/12/431989012.db2.gz RZWNQRGYKASCBT-ZBFHGGJFSA-N 1 0 319.449 3.470 10 0 DGAERO CC(C)CCSCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000056389811 431988256 /nfs/dbraw/zinc/98/82/56/431988256.db2.gz DMIASMJNHLKYOP-MRXNPFEDSA-N 1 0 308.491 3.185 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNCc1csc(Br)c1 ZINC000128203240 431989964 /nfs/dbraw/zinc/98/99/64/431989964.db2.gz UJIHHKYQJZZODB-JTQLQIEISA-N 1 0 305.285 3.331 10 0 DGAERO CC[NH+](CC)[C@H](C)CNCc1cc(Br)cs1 ZINC000128222763 431990024 /nfs/dbraw/zinc/99/00/24/431990024.db2.gz BZFHTFKZODYCPX-SNVBAGLBSA-N 1 0 305.285 3.331 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2cc(C)oc2C)CC1 ZINC000102007408 431990748 /nfs/dbraw/zinc/99/07/48/431990748.db2.gz QFGUJLVWROAZHI-AWEZNQCLSA-N 1 0 321.465 3.379 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC(n2cncn2)CC1 ZINC000185285634 281308089 /nfs/dbraw/zinc/30/80/89/281308089.db2.gz QZICDNLPCDZXAX-UHFFFAOYSA-N 1 0 307.401 3.285 10 0 DGAERO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)C1CC1 ZINC000128282772 431991597 /nfs/dbraw/zinc/99/15/97/431991597.db2.gz SZNWPOYTBSYQPE-CRAIPNDOSA-N 1 0 310.445 3.085 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000173308018 432269708 /nfs/dbraw/zinc/26/97/08/432269708.db2.gz CNXIIXGKOFDFJV-GFCCVEGCSA-N 1 0 310.467 3.072 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc(F)c1F ZINC000183226457 432270625 /nfs/dbraw/zinc/27/06/25/432270625.db2.gz QDOITAGRNQGDNE-CHWSQXEVSA-N 1 0 318.371 3.074 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(Cc3nc(C(C)(C)C)cs3)CC[C@@H]21 ZINC000248145928 432271968 /nfs/dbraw/zinc/27/19/68/432271968.db2.gz QDFQZRGXPFNSOK-KBPBESRZSA-N 1 0 307.507 3.357 10 0 DGAERO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCCO3)co2)cc1 ZINC000183234400 432272711 /nfs/dbraw/zinc/27/27/11/432272711.db2.gz GFKUAHYGYHQZAW-GUYCJALGSA-N 1 0 316.401 3.397 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(Cl)cc1 ZINC000173332891 432272757 /nfs/dbraw/zinc/27/27/57/432272757.db2.gz AOLNYQLIKYCSLU-JKSUJKDBSA-N 1 0 321.852 3.108 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000183230018 432273186 /nfs/dbraw/zinc/27/31/86/432273186.db2.gz FHLJRDNDBDEIDX-NHYWBVRUSA-N 1 0 307.340 3.358 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000248175572 432274075 /nfs/dbraw/zinc/27/40/75/432274075.db2.gz VNZBPRFHYWTBLX-FUHWJXTLSA-N 1 0 313.445 3.123 10 0 DGAERO Cc1cc(C)n(C[C@H]2C[N@H+]([C@@H](C)c3ccccc3C)CCO2)n1 ZINC000248185680 432274309 /nfs/dbraw/zinc/27/43/09/432274309.db2.gz XHGNCKNXVVXNJP-ZWKOTPCHSA-N 1 0 313.445 3.270 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCSC1)c1nc(-c2cccc(F)c2)no1 ZINC000191531089 432274534 /nfs/dbraw/zinc/27/45/34/432274534.db2.gz MMPWUSAPZWGOEK-GWCFXTLKSA-N 1 0 307.394 3.422 10 0 DGAERO COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000183271331 432275897 /nfs/dbraw/zinc/27/58/97/432275897.db2.gz HDCKASDYVGCURP-IAGOWNOFSA-N 1 0 316.445 3.135 10 0 DGAERO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000183266081 432276325 /nfs/dbraw/zinc/27/63/25/432276325.db2.gz LXAWRTHNQQKCNS-PBHICJAKSA-N 1 0 302.397 3.075 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCCCCC2CCCC2)CC[N@@H+]1C ZINC000173462458 432280916 /nfs/dbraw/zinc/28/09/16/432280916.db2.gz NDFJTPPRKGDVQV-DOTOQJQBSA-N 1 0 309.498 3.471 10 0 DGAERO CC(C)C[C@H](C)OCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000151842103 432281169 /nfs/dbraw/zinc/28/11/69/432281169.db2.gz KPKAFXFTXIQHOT-FUHWJXTLSA-N 1 0 320.477 3.247 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000183332698 432283358 /nfs/dbraw/zinc/28/33/58/432283358.db2.gz KBQFRUHYSYGFDI-HOCLYGCPSA-N 1 0 301.409 3.370 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1nccn1C ZINC000183404978 432290714 /nfs/dbraw/zinc/29/07/14/432290714.db2.gz WWWSGWRQUSFQAC-VBNZEHGJSA-N 1 0 318.852 3.170 10 0 DGAERO Cc1cc2occ(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)c2cc1C ZINC000248571898 432303704 /nfs/dbraw/zinc/30/37/04/432303704.db2.gz MPSRVIIERBNLFN-CABCVRRESA-N 1 0 312.413 3.358 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248441186 432292828 /nfs/dbraw/zinc/29/28/28/432292828.db2.gz UZUKYYLYHMEGNM-SQWLQELKSA-N 1 0 302.418 3.144 10 0 DGAERO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000248455962 432293382 /nfs/dbraw/zinc/29/33/82/432293382.db2.gz MXDJSJARPCJBPH-IPELMVKDSA-N 1 0 308.425 3.352 10 0 DGAERO CCc1noc([C@H](C)N2CC[NH+](C[C@@H]3CCCC[C@H]3C)CC2)n1 ZINC000248453126 432295312 /nfs/dbraw/zinc/29/53/12/432295312.db2.gz GTDXIMXNFVSEIX-PMPSAXMXSA-N 1 0 320.481 3.137 10 0 DGAERO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc(Cl)s1 ZINC000183507410 432298586 /nfs/dbraw/zinc/29/85/86/432298586.db2.gz JGSNGOKCSYMIET-SECBINFHSA-N 1 0 309.822 3.354 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000248551280 432300566 /nfs/dbraw/zinc/30/05/66/432300566.db2.gz IOQFXYWRJFPBOC-RFGFWPKPSA-N 1 0 320.399 3.202 10 0 DGAERO CC(C)COC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccco1 ZINC000248557324 432301265 /nfs/dbraw/zinc/30/12/65/432301265.db2.gz ILMWXKAZQXFUIT-ZIFCJYIRSA-N 1 0 315.413 3.241 10 0 DGAERO CCCn1c2ccccc2nc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128417146 431993757 /nfs/dbraw/zinc/99/37/57/431993757.db2.gz YEDOASOYKOLHGS-HNNXBMFYSA-N 1 0 323.444 3.169 10 0 DGAERO CCOC(=O)CCC[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000102399062 431993767 /nfs/dbraw/zinc/99/37/67/431993767.db2.gz GHQYVLDRKPLKBY-INIZCTEOSA-N 1 0 305.418 3.045 10 0 DGAERO CN(C)C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000102420340 431993849 /nfs/dbraw/zinc/99/38/49/431993849.db2.gz RTLHRWTVDJNVAG-LJQANCHMSA-N 1 0 308.425 3.355 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000102421025 431994267 /nfs/dbraw/zinc/99/42/67/431994267.db2.gz MZANUAGDZXAKAH-UHFFFAOYSA-N 1 0 317.392 3.438 10 0 DGAERO CC[C@H](NC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000057796608 431994249 /nfs/dbraw/zinc/99/42/49/431994249.db2.gz DNTKBABLQALYQV-SJORKVTESA-N 1 0 303.450 3.230 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cn3cc(Cl)ccc3n1)CC2 ZINC000128430394 431994279 /nfs/dbraw/zinc/99/42/79/431994279.db2.gz XSRHNWNYLCHTIC-DYVFJYSZSA-N 1 0 319.836 3.115 10 0 DGAERO CCOCc1cccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)c1 ZINC000102540637 431994651 /nfs/dbraw/zinc/99/46/51/431994651.db2.gz UBWAOCVEWZZHIM-CQSZACIVSA-N 1 0 307.438 3.075 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128445328 431994983 /nfs/dbraw/zinc/99/49/83/431994983.db2.gz ICQQSZMVVSRYPI-INIZCTEOSA-N 1 0 321.428 3.108 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ncc(-c3ccccc3)o1)CC2 ZINC000128497734 431995531 /nfs/dbraw/zinc/99/55/31/431995531.db2.gz NXAXJYKLKWNMAY-VQIMIIECSA-N 1 0 312.413 3.469 10 0 DGAERO COCc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248038493 432263134 /nfs/dbraw/zinc/26/31/34/432263134.db2.gz LRICKEFAJDTFAT-RBUKOAKNSA-N 1 0 324.424 3.008 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccncc1 ZINC000248059878 432265958 /nfs/dbraw/zinc/26/59/58/432265958.db2.gz YBIIYACWDMFPDJ-TXPKVOOTSA-N 1 0 310.445 3.038 10 0 DGAERO CSCCC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000173252912 432266547 /nfs/dbraw/zinc/26/65/47/432266547.db2.gz NOAJSHBZPJNSOI-UHFFFAOYSA-N 1 0 318.486 3.041 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccc(-n2cncn2)cc1 ZINC000183208647 432268471 /nfs/dbraw/zinc/26/84/71/432268471.db2.gz CCJGBEFLXLRVQH-GJZGRUSLSA-N 1 0 322.412 3.171 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cncc(Br)c1 ZINC000183717780 432318990 /nfs/dbraw/zinc/31/89/90/432318990.db2.gz FPHGTQZZORPMFB-CQSZACIVSA-N 1 0 315.255 3.121 10 0 DGAERO C[NH2+]CC1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000152266207 432319256 /nfs/dbraw/zinc/31/92/56/432319256.db2.gz CNEKFMKUMOUUKF-UHFFFAOYSA-N 1 0 322.452 3.349 10 0 DGAERO c1coc(-c2ncc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)s2)c1 ZINC000248820960 432320157 /nfs/dbraw/zinc/32/01/57/432320157.db2.gz XBBHUSLJJITVCV-TZMCWYRMSA-N 1 0 322.455 3.109 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000174140722 432324580 /nfs/dbraw/zinc/32/45/80/432324580.db2.gz CPDFQJWRAHIASL-CGTJXYLNSA-N 1 0 315.461 3.324 10 0 DGAERO C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)[C@H]1CO ZINC000248869741 432325120 /nfs/dbraw/zinc/32/51/20/432325120.db2.gz BLDUQMLALICMDX-RISCZKNCSA-N 1 0 306.793 3.198 10 0 DGAERO c1cc2c(c([C@@H]3CCC[N@H+]3C[C@H]3CCC=CO3)c1)OCCO2 ZINC000248873858 432326073 /nfs/dbraw/zinc/32/60/73/432326073.db2.gz IRAWVZVNSXHOFK-ZBFHGGJFSA-N 1 0 301.386 3.287 10 0 DGAERO O[C@@H](CC1CCCC1)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000248887506 432327146 /nfs/dbraw/zinc/32/71/46/432327146.db2.gz HLOAHEGQFNOCJC-FUHWJXTLSA-N 1 0 307.434 3.202 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(-c2ncco2)c1 ZINC000152355885 432327186 /nfs/dbraw/zinc/32/71/86/432327186.db2.gz OSDQYLZTHOGSRW-ZDUSSCGKSA-N 1 0 316.405 3.193 10 0 DGAERO CN(CCCOc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000152373821 432329050 /nfs/dbraw/zinc/32/90/50/432329050.db2.gz OBBCBRYAAOTQRH-DZGCQCFKSA-N 1 0 324.852 3.085 10 0 DGAERO CCn1cc([C@@H]2C[N@H+](C[C@H](C)Cc3ccccc3)CCO2)cn1 ZINC000248905524 432329851 /nfs/dbraw/zinc/32/98/51/432329851.db2.gz WJMURQUJILPUMX-APWZRJJASA-N 1 0 313.445 3.155 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)Nc1cccc(Cl)n1)c1ccccc1 ZINC000183856052 432330468 /nfs/dbraw/zinc/33/04/68/432330468.db2.gz ISTDCAAUNLCNRS-CYBMUJFWSA-N 1 0 318.808 3.159 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000248965687 432330907 /nfs/dbraw/zinc/33/09/07/432330907.db2.gz QQAQWCGREIZIHA-SJORKVTESA-N 1 0 305.466 3.024 10 0 DGAERO CC1(C)CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174288469 432334398 /nfs/dbraw/zinc/33/43/98/432334398.db2.gz BKLNYKMOUBUCCM-OAHLLOKOSA-N 1 0 307.482 3.083 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)c2ncc(C)s2)C12CCOCC2 ZINC000249041351 432334522 /nfs/dbraw/zinc/33/45/22/432334522.db2.gz VDMCHVIYIUPEDV-NWANDNLSSA-N 1 0 324.490 3.119 10 0 DGAERO Fc1cc2cccnc2c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152455031 432334858 /nfs/dbraw/zinc/33/48/58/432334858.db2.gz LBZNQXSFAMNMNL-SFHVURJKSA-N 1 0 323.371 3.422 10 0 DGAERO C=Cn1cc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cn1 ZINC000249036204 432334996 /nfs/dbraw/zinc/33/49/96/432334996.db2.gz SRAFNLVTTMOXSF-DLBZAZTESA-N 1 0 315.417 3.445 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)co1 ZINC000249059553 432336554 /nfs/dbraw/zinc/33/65/54/432336554.db2.gz FYWKIDIFSHMBON-GDBMZVCRSA-N 1 0 304.434 3.315 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000249092626 432337933 /nfs/dbraw/zinc/33/79/33/432337933.db2.gz KYATWUGCVSIJLH-NZSAHSFTSA-N 1 0 302.462 3.056 10 0 DGAERO COCCCCC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192156188 432338788 /nfs/dbraw/zinc/33/87/88/432338788.db2.gz CARNFFRUKKHPBQ-DOTOQJQBSA-N 1 0 324.852 3.018 10 0 DGAERO CCC1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000174369270 432339966 /nfs/dbraw/zinc/33/99/66/432339966.db2.gz WYCBBQYTUYANIA-VXLLPVPCSA-N 1 0 309.498 3.327 10 0 DGAERO CC(C)CSCCC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152556294 432340190 /nfs/dbraw/zinc/34/01/90/432340190.db2.gz PHPMIJHOVRCHMJ-MRXNPFEDSA-N 1 0 322.522 3.157 10 0 DGAERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192174318 432340947 /nfs/dbraw/zinc/34/09/47/432340947.db2.gz QAWBLVXHVWUMIV-BDAKNGLRSA-N 1 0 306.631 3.209 10 0 DGAERO CC(C)Cc1ccc(CCCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000152568938 432341556 /nfs/dbraw/zinc/34/15/56/432341556.db2.gz FMSXHXMWNVKLKQ-IBGZPJMESA-N 1 0 316.489 3.370 10 0 DGAERO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3nccnc3C)C2)cc1 ZINC000249215548 432343026 /nfs/dbraw/zinc/34/30/26/432343026.db2.gz ZUMNUMSJZVTUEE-SJORKVTESA-N 1 0 310.445 3.413 10 0 DGAERO CC[C@@H]1CN(c2ccccc2)CCN1Cc1nccn1C(F)F ZINC000184006449 432344191 /nfs/dbraw/zinc/34/41/91/432344191.db2.gz PCQIKUIFTLXULG-CQSZACIVSA-N 1 0 320.387 3.379 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](O)CC(F)(F)F)C2)cc1 ZINC000249370237 432346235 /nfs/dbraw/zinc/34/62/35/432346235.db2.gz OWWREHODHYEVNG-BNOWGMLFSA-N 1 0 317.351 3.186 10 0 DGAERO Cc1cccc(OCC[N@@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)c1 ZINC000249601249 432352437 /nfs/dbraw/zinc/35/24/37/432352437.db2.gz YHRYYNBEDBOCQW-SJLPKXTDSA-N 1 0 317.454 3.143 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cc(Cl)nc(C2CC2)n1 ZINC000271201477 432352603 /nfs/dbraw/zinc/35/26/03/432352603.db2.gz QGAHDYGLBAXPER-STQMWFEESA-N 1 0 306.841 3.070 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000248602691 432304774 /nfs/dbraw/zinc/30/47/74/432304774.db2.gz OHBZDXPKKSUIJK-NFFDBFGFSA-N 1 0 324.852 3.063 10 0 DGAERO C[C@H](CCc1ccccc1F)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173888819 432305874 /nfs/dbraw/zinc/30/58/74/432305874.db2.gz XEDXGSPUJCFPIJ-NVXWUHKLSA-N 1 0 318.436 3.091 10 0 DGAERO CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000173888619 432306239 /nfs/dbraw/zinc/30/62/39/432306239.db2.gz CXKFLZMSOUJGDC-QZTJIDSGSA-N 1 0 300.446 3.123 10 0 DGAERO CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173912933 432306731 /nfs/dbraw/zinc/30/67/31/432306731.db2.gz YQNCDKHGOWKJFJ-QZTJIDSGSA-N 1 0 317.477 3.133 10 0 DGAERO COc1ccccc1CCC[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000248631508 432308174 /nfs/dbraw/zinc/30/81/74/432308174.db2.gz ZZOPDWBZEMUTGW-FUHWJXTLSA-N 1 0 313.445 3.407 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCCC2CCCCC2)CC[N@@H+]1C ZINC000173916617 432308393 /nfs/dbraw/zinc/30/83/93/432308393.db2.gz JSYKFZMDYDEPSL-WBVHZDCISA-N 1 0 309.498 3.471 10 0 DGAERO COC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)cc1 ZINC000248654549 432309510 /nfs/dbraw/zinc/30/95/10/432309510.db2.gz ACIHRQVUUNXBAQ-RCCFBDPRSA-N 1 0 317.816 3.275 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)N1CCCCCC1 ZINC000152187727 432311068 /nfs/dbraw/zinc/31/10/68/432311068.db2.gz CJQRWXHMMOOZKZ-CHWSQXEVSA-N 1 0 310.388 3.407 10 0 DGAERO CCc1ccc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)s1 ZINC000173956112 432311241 /nfs/dbraw/zinc/31/12/41/432311241.db2.gz NWOFEZKTLAWWPM-UONOGXRCSA-N 1 0 321.490 3.079 10 0 DGAERO C[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000173978307 432311945 /nfs/dbraw/zinc/31/19/45/432311945.db2.gz IIQRSBJDFFMNBP-BBWFWOEESA-N 1 0 317.477 3.059 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000152187510 432312068 /nfs/dbraw/zinc/31/20/68/432312068.db2.gz CJQRWXHMMOOZKZ-OLZOCXBDSA-N 1 0 310.388 3.407 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000191892426 432312065 /nfs/dbraw/zinc/31/20/65/432312065.db2.gz BZALRDRGIKDUGM-IRXDYDNUSA-N 1 0 302.462 3.292 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCCc2sccc21 ZINC000248691998 432313344 /nfs/dbraw/zinc/31/33/44/432313344.db2.gz BFJQVDVJTLJTLY-VNHYZAJKSA-N 1 0 319.474 3.004 10 0 DGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3sc4ccccc4c3Cl)C[C@H]12 ZINC000248702547 432313567 /nfs/dbraw/zinc/31/35/67/432313567.db2.gz ZXIDZMMCKSLELB-ZMLRMANQSA-N 1 0 320.845 3.364 10 0 DGAERO c1coc(-c2ncc(CN3CC[N@@H+]4CCCC[C@H]4C3)s2)c1 ZINC000248723769 432314042 /nfs/dbraw/zinc/31/40/42/432314042.db2.gz GYAAUINBJIMHNL-ZDUSSCGKSA-N 1 0 303.431 3.073 10 0 DGAERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2SC)CC[C@@H]1C ZINC000251908459 432373223 /nfs/dbraw/zinc/37/32/23/432373223.db2.gz RMXPAWWCIACWIU-DZGCQCFKSA-N 1 0 322.474 3.094 10 0 DGAERO C[C@@H](C[S@](C)=O)[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000184314327 432378848 /nfs/dbraw/zinc/37/88/48/432378848.db2.gz REIJTNAGXRUPER-FPTDNZKUSA-N 1 0 313.466 3.231 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)c1 ZINC000184360442 432383620 /nfs/dbraw/zinc/38/36/20/432383620.db2.gz MZPHMAVQBLRLSV-MRXNPFEDSA-N 1 0 310.445 3.413 10 0 DGAERO CCCc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)s1 ZINC000174981015 432385386 /nfs/dbraw/zinc/38/53/86/432385386.db2.gz VCUFBBYHCXJGIE-KGLIPLIRSA-N 1 0 321.490 3.183 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000184388209 432385981 /nfs/dbraw/zinc/38/59/81/432385981.db2.gz ALGKGADZDOEJEX-ZFWWWQNUSA-N 1 0 316.836 3.368 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000184391167 432386074 /nfs/dbraw/zinc/38/60/74/432386074.db2.gz KNLKWETUUMVNDS-YJBOKZPZSA-N 1 0 315.461 3.222 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Br)cc1 ZINC000252675258 432386371 /nfs/dbraw/zinc/38/63/71/432386371.db2.gz YZHOKGCVSNOOBW-DOMZBBRYSA-N 1 0 309.251 3.118 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1)[S@](C)=O ZINC000252731310 432386426 /nfs/dbraw/zinc/38/64/26/432386426.db2.gz PGTZPWQRGRJQJD-NLQQUQSOSA-N 1 0 305.390 3.096 10 0 DGAERO c1ccc2c(c1)C=C(CN1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CO2 ZINC000252802887 432388518 /nfs/dbraw/zinc/38/85/18/432388518.db2.gz VSLSTRYTGQUVFI-AZUAARDMSA-N 1 0 324.468 3.411 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(SC)c(OC)c1 ZINC000175041039 432391573 /nfs/dbraw/zinc/39/15/73/432391573.db2.gz AKKUEPNDACJDSZ-HZPDHXFCSA-N 1 0 320.502 3.476 10 0 DGAERO C[NH+](C)C1CCN(Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000184441503 432392766 /nfs/dbraw/zinc/39/27/66/432392766.db2.gz LGHNPMINQLASCE-UHFFFAOYSA-N 1 0 318.852 3.052 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1OC ZINC000192670849 432398336 /nfs/dbraw/zinc/39/83/36/432398336.db2.gz JDMFNPGNFDLMNF-STQMWFEESA-N 1 0 303.406 3.158 10 0 DGAERO ClC(Cl)(Cl)CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000184517192 432400855 /nfs/dbraw/zinc/40/08/55/432400855.db2.gz ABPWNGOAECMTNQ-UHFFFAOYSA-N 1 0 323.655 3.113 10 0 DGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000153346852 432401167 /nfs/dbraw/zinc/40/11/67/432401167.db2.gz UUTMYZPRUMMSLP-SFHVURJKSA-N 1 0 309.457 3.078 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CC2CC2)c2ccc(F)cc2C1 ZINC000184531751 432402260 /nfs/dbraw/zinc/40/22/60/432402260.db2.gz FXVCWBLRLSEIRR-KZULUSFZSA-N 1 0 304.409 3.397 10 0 DGAERO C[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)[C@@H]1c1cccc(F)c1 ZINC000175149033 432402521 /nfs/dbraw/zinc/40/25/21/432402521.db2.gz SMLDVFJVLNCIPJ-KDOFPFPSSA-N 1 0 304.409 3.221 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000192712177 432403082 /nfs/dbraw/zinc/40/30/82/432403082.db2.gz OEFXUNBGXKJWKL-ZWKOTPCHSA-N 1 0 312.413 3.265 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nnc(-c2ccccc2)s1 ZINC000175167107 432405528 /nfs/dbraw/zinc/40/55/28/432405528.db2.gz WHLMOKCKXOUTMR-AWEZNQCLSA-N 1 0 302.447 3.126 10 0 DGAERO C[NH+](C)[C@@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175163044 432405971 /nfs/dbraw/zinc/40/59/71/432405971.db2.gz SCJKGTGJAGUJBU-OAHLLOKOSA-N 1 0 303.381 3.007 10 0 DGAERO Cc1ccc(CCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000174549278 432355944 /nfs/dbraw/zinc/35/59/44/432355944.db2.gz OABZTTWBZIFNEQ-IBGZPJMESA-N 1 0 314.473 3.262 10 0 DGAERO Clc1ccccc1C1(C[NH2+]Cc2cocn2)CCOCC1 ZINC000192309602 432357205 /nfs/dbraw/zinc/35/72/05/432357205.db2.gz VTUSQQSALQMFQG-UHFFFAOYSA-N 1 0 306.793 3.166 10 0 DGAERO CC(C)[C@H](SCc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000249771290 432357944 /nfs/dbraw/zinc/35/79/44/432357944.db2.gz BSIRPEPIUNHTFY-UAGQMJEPSA-N 1 0 320.502 3.059 10 0 DGAERO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249886951 432360630 /nfs/dbraw/zinc/36/06/30/432360630.db2.gz PJRBIHAVECFYAI-UONOGXRCSA-N 1 0 323.506 3.324 10 0 DGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cc(C)no1)CC3 ZINC000184155695 432363028 /nfs/dbraw/zinc/36/30/28/432363028.db2.gz DFXVCTMBLLZKSC-GFCCVEGCSA-N 1 0 311.385 3.120 10 0 DGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192359001 432365798 /nfs/dbraw/zinc/36/57/98/432365798.db2.gz KZIRXBLGEHCCQW-DOMZBBRYSA-N 1 0 304.434 3.053 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000251261205 432368255 /nfs/dbraw/zinc/36/82/55/432368255.db2.gz YVCUGLKBJVWPFK-RDTXWAMCSA-N 1 0 315.461 3.046 10 0 DGAERO NC(=O)[C@@H]([NH2+]CCC1=CCCC1)c1ccc(Br)cc1 ZINC000152935667 432369134 /nfs/dbraw/zinc/36/91/34/432369134.db2.gz VTBHGANXFAJPKV-AWEZNQCLSA-N 1 0 323.234 3.066 10 0 DGAERO [NH3+]CC1(CC(=O)N2CCC[C@@H](c3nccs3)C2)CCCCC1 ZINC000184231879 432369705 /nfs/dbraw/zinc/36/97/05/432369705.db2.gz MSFJUJLHGXDAGO-CQSZACIVSA-N 1 0 321.490 3.148 10 0 DGAERO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnn1C ZINC000192936268 432431374 /nfs/dbraw/zinc/43/13/74/432431374.db2.gz GWOGGHMJUAIGDB-BQFCYCMXSA-N 1 0 312.461 3.124 10 0 DGAERO c1ccc2c(c1)nc(C[NH2+][C@H]1[C@@H]3CCO[C@@H]3C13CCC3)n2C1CC1 ZINC000184779800 432431587 /nfs/dbraw/zinc/43/15/87/432431587.db2.gz WOERWJXTZKRCEO-JVPBZIDWSA-N 1 0 323.440 3.418 10 0 DGAERO Cc1ccc(C)c(OCCc2nc(C3([NH3+])CCCC3)no2)c1 ZINC000261608972 432432831 /nfs/dbraw/zinc/43/28/31/432432831.db2.gz AOKMPBBBDMAHNA-UHFFFAOYSA-N 1 0 301.390 3.036 10 0 DGAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261596969 432433231 /nfs/dbraw/zinc/43/32/31/432433231.db2.gz AKFRVTUPDSGIPE-RLCCDNCMSA-N 1 0 324.827 3.358 10 0 DGAERO C[C@]1(C[NH3+])CCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000261590169 432433339 /nfs/dbraw/zinc/43/33/39/432433339.db2.gz LCADYQSTQIDLCC-CQSZACIVSA-N 1 0 303.233 3.043 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(Cl)cc1F ZINC000261612327 432435058 /nfs/dbraw/zinc/43/50/58/432435058.db2.gz GBFNOELJMUOGSE-BTOWRCTQSA-N 1 0 310.800 3.115 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000184878746 432441205 /nfs/dbraw/zinc/44/12/05/432441205.db2.gz GYAPVHSOSHIEMX-JKSUJKDBSA-N 1 0 315.461 3.423 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccco2)o1 ZINC000153771184 432441474 /nfs/dbraw/zinc/44/14/74/432441474.db2.gz XDSJWOHVGSXFHC-AWEZNQCLSA-N 1 0 319.405 3.015 10 0 DGAERO COc1ccc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c(C)c1 ZINC000261702592 432442043 /nfs/dbraw/zinc/44/20/43/432442043.db2.gz JTAAOXHJWSIXRC-UHFFFAOYSA-N 1 0 314.360 3.041 10 0 DGAERO Cc1sc2nc(C)nc(N[C@@H](C)[C@H]3CCC[NH2+]C3)c2c1C ZINC000261692466 432442930 /nfs/dbraw/zinc/44/29/30/432442930.db2.gz NMOBZYPTXVLWNM-GWCFXTLKSA-N 1 0 304.463 3.417 10 0 DGAERO C[NH2+][C@@H](C)Cc1noc(-c2ccc(-c3ccc(F)cc3)o2)n1 ZINC000261733073 432444336 /nfs/dbraw/zinc/44/43/36/432444336.db2.gz KKDFQOOPGCTSSQ-JTQLQIEISA-N 1 0 301.321 3.286 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000184930835 432445828 /nfs/dbraw/zinc/44/58/28/432445828.db2.gz ZPYULKQMNCJTNO-HUUCEWRRSA-N 1 0 315.461 3.128 10 0 DGAERO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184948523 432447310 /nfs/dbraw/zinc/44/73/10/432447310.db2.gz FJWPLISEIXIEJV-GDBMZVCRSA-N 1 0 323.456 3.362 10 0 DGAERO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184948570 432448052 /nfs/dbraw/zinc/44/80/52/432448052.db2.gz FJWPLISEIXIEJV-HOCLYGCPSA-N 1 0 323.456 3.362 10 0 DGAERO COc1ccc(OC)c(C[N@H+](Cc2cccc(N)c2)C2CC2)c1 ZINC000261753791 432448233 /nfs/dbraw/zinc/44/82/33/432448233.db2.gz WTWPTVNFCQRFFH-UHFFFAOYSA-N 1 0 312.413 3.451 10 0 DGAERO COc1cccc([C@H](C)[NH+]2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000175568427 432449043 /nfs/dbraw/zinc/44/90/43/432449043.db2.gz IRINIDZHQOGKDV-HNNXBMFYSA-N 1 0 316.445 3.091 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000184963652 432448996 /nfs/dbraw/zinc/44/89/96/432448996.db2.gz QRRPZFBDZAKKBN-ZWKOTPCHSA-N 1 0 300.446 3.191 10 0 DGAERO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cs1 ZINC000193096105 432449102 /nfs/dbraw/zinc/44/91/02/432449102.db2.gz QJQQMKDGBVMRJE-HNNXBMFYSA-N 1 0 322.861 3.191 10 0 DGAERO CSc1cccc(C)c1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184966523 432450347 /nfs/dbraw/zinc/45/03/47/432450347.db2.gz BXDGBSNCYXBPCP-CYBMUJFWSA-N 1 0 305.447 3.029 10 0 DGAERO Cn1cc(-c2cc(C[N@H+](Cc3ccccc3)C3CC3)on2)cn1 ZINC000184973916 432451595 /nfs/dbraw/zinc/45/15/95/432451595.db2.gz YRQRRPOALXCLOR-UHFFFAOYSA-N 1 0 308.385 3.240 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H]3C3CCCC3)on2)cn1 ZINC000184986323 432453132 /nfs/dbraw/zinc/45/31/32/432453132.db2.gz CSMROKUQODXPLK-QGZVFWFLSA-N 1 0 300.406 3.230 10 0 DGAERO COc1ccc([C@H](C)NC(=O)[C@H]([NH3+])c2ccc(C)cc2)cc1F ZINC000261913282 432459698 /nfs/dbraw/zinc/45/96/98/432459698.db2.gz QLWSHFPMGNUKRV-YVEFUNNKSA-N 1 0 316.376 3.020 10 0 DGAERO c1ccc2c(c1)cccc2CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261821756 432453399 /nfs/dbraw/zinc/45/33/99/432453399.db2.gz SHRHRERDTKZZEE-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO C[NH2+]C1CCN([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000261807938 432453428 /nfs/dbraw/zinc/45/34/28/432453428.db2.gz ZJVZDVIHNFBQSK-NSHDSACASA-N 1 0 302.340 3.330 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)on2)cn1 ZINC000185005229 432455737 /nfs/dbraw/zinc/45/57/37/432455737.db2.gz SHQPANGEOCBIOV-GOSISDBHSA-N 1 0 312.417 3.397 10 0 DGAERO NCc1nc(CN(Cc2ccccc2Cl)C2CCCC2)no1 ZINC000261860923 432456879 /nfs/dbraw/zinc/45/68/79/432456879.db2.gz WGYJIBFRKWAFOI-UHFFFAOYSA-N 1 0 320.824 3.127 10 0 DGAERO CC(C)[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC1CCC1 ZINC000193202728 432457730 /nfs/dbraw/zinc/45/77/30/432457730.db2.gz JRCQFBUANBTNHQ-AWEZNQCLSA-N 1 0 320.399 3.298 10 0 DGAERO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000193218945 432458098 /nfs/dbraw/zinc/45/80/98/432458098.db2.gz PHNGARAXYQZUHL-CHWSQXEVSA-N 1 0 318.442 3.112 10 0 DGAERO Cc1cc(Br)c2c(c1)CN(C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261880817 432458118 /nfs/dbraw/zinc/45/81/18/432458118.db2.gz QXSFFMRCEPQDSH-INIZCTEOSA-N 1 0 323.278 3.115 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@H]1c1ccco1)c1ccco1 ZINC000255553913 432411349 /nfs/dbraw/zinc/41/13/49/432411349.db2.gz BUXBPAWJFPWBRG-QLFBSQMISA-N 1 0 316.401 3.175 10 0 DGAERO CC(C)[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184623127 432413417 /nfs/dbraw/zinc/41/34/17/432413417.db2.gz VGCBTKTXHTVWRI-INIZCTEOSA-N 1 0 302.462 3.449 10 0 DGAERO CC(C)[C@@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184623108 432413472 /nfs/dbraw/zinc/41/34/72/432413472.db2.gz VGCBTKTXHTVWRI-MRXNPFEDSA-N 1 0 302.462 3.449 10 0 DGAERO Cc1ccsc1C(=O)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000257179886 432415694 /nfs/dbraw/zinc/41/56/94/432415694.db2.gz DABOJWUKRKBSLS-HNNXBMFYSA-N 1 0 306.475 3.395 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CCCC1 ZINC000184641716 432415876 /nfs/dbraw/zinc/41/58/76/432415876.db2.gz HIYQKFLLSMMBCW-LLVKDONJSA-N 1 0 317.401 3.351 10 0 DGAERO COc1ccc(-c2nc(C[NH2+][C@H](C)C3CCCC3)no2)cc1 ZINC000184651313 432416381 /nfs/dbraw/zinc/41/63/81/432416381.db2.gz NIMZDCVWWJDSBP-GFCCVEGCSA-N 1 0 301.390 3.414 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)CCC2 ZINC000192810632 432416472 /nfs/dbraw/zinc/41/64/72/432416472.db2.gz AZFZAHXKAXZMDQ-KXBFYZLASA-N 1 0 322.456 3.285 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1F ZINC000192811979 432416908 /nfs/dbraw/zinc/41/69/08/432416908.db2.gz RSSBTXITCORJHG-JSGCOSHPSA-N 1 0 318.371 3.074 10 0 DGAERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)CC2 ZINC000184656885 432417092 /nfs/dbraw/zinc/41/70/92/432417092.db2.gz FDUQEPPHQYUQSE-GXSJLCMTSA-N 1 0 308.788 3.045 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)C1CCCC1 ZINC000184663721 432417538 /nfs/dbraw/zinc/41/75/38/432417538.db2.gz IBLAMYVCZQIYQM-ZFWWWQNUSA-N 1 0 302.418 3.076 10 0 DGAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000192848548 432419834 /nfs/dbraw/zinc/41/98/34/432419834.db2.gz PJLJJDJYFDMVHF-PVAVHDDUSA-N 1 0 302.462 3.100 10 0 DGAERO CCC[C@@H](C)[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192848041 432420631 /nfs/dbraw/zinc/42/06/31/432420631.db2.gz IUUJNBITSARYHR-CVEARBPZSA-N 1 0 312.498 3.303 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1SC ZINC000175295953 432421887 /nfs/dbraw/zinc/42/18/87/432421887.db2.gz SCTBDCKMMAMGDM-ZIAGYGMSSA-N 1 0 319.474 3.499 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1scnc1C1CCCC1 ZINC000185032392 432458980 /nfs/dbraw/zinc/45/89/80/432458980.db2.gz ANEDMBJKKURGCD-AWEZNQCLSA-N 1 0 321.490 3.357 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000257352442 432427427 /nfs/dbraw/zinc/42/74/27/432427427.db2.gz LIZNYKMBCGQLTG-UONOGXRCSA-N 1 0 307.438 3.265 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000185153504 432471271 /nfs/dbraw/zinc/47/12/71/432471271.db2.gz XNZXLFZPGRICHV-AWEZNQCLSA-N 1 0 302.418 3.447 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000185156658 432471361 /nfs/dbraw/zinc/47/13/61/432471361.db2.gz QQNYILUUCQFAHD-IAGOWNOFSA-N 1 0 306.425 3.008 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262122215 432475206 /nfs/dbraw/zinc/47/52/06/432475206.db2.gz XJEJXKRMXVBSJU-QAPCUYQASA-N 1 0 321.896 3.018 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccccn3)C2)c1 ZINC000154151793 432477620 /nfs/dbraw/zinc/47/76/20/432477620.db2.gz ZKKMOEJLTGUBPL-HOTGVXAUSA-N 1 0 311.429 3.267 10 0 DGAERO Cc1ccccc1CCCN1CCO[C@@H](c2nccs2)C1 ZINC000175907501 432477931 /nfs/dbraw/zinc/47/79/31/432477931.db2.gz NNOGNWIKZBHVNB-MRXNPFEDSA-N 1 0 302.443 3.458 10 0 DGAERO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)C1(C)C ZINC000185247462 432482253 /nfs/dbraw/zinc/48/22/53/432482253.db2.gz STGGSWAFPUZNHW-RYUDHWBXSA-N 1 0 319.371 3.121 10 0 DGAERO C[C@H]1C[C@@H](C(=O)NCCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000262353741 432482502 /nfs/dbraw/zinc/48/25/02/432482502.db2.gz HQDXYGKCZSAORO-JQWIXIFHSA-N 1 0 315.244 3.040 10 0 DGAERO CSCc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000176010440 432486645 /nfs/dbraw/zinc/48/66/45/432486645.db2.gz XBJSJMXCYMPUGW-CZUORRHYSA-N 1 0 321.490 3.496 10 0 DGAERO CCC(CC)c1cc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)on1 ZINC000262488570 432488097 /nfs/dbraw/zinc/48/80/97/432488097.db2.gz WBXCLIIFUJCVRI-LXZKKBNFSA-N 1 0 319.449 3.115 10 0 DGAERO Cc1ccccc1SCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154299320 432489321 /nfs/dbraw/zinc/48/93/21/432489321.db2.gz ZVPBEDVHFBVQRF-CVEARBPZSA-N 1 0 318.486 3.030 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262531331 432489623 /nfs/dbraw/zinc/48/96/23/432489623.db2.gz PQDUKTGGUBZCAC-HYSWKAIVSA-N 1 0 322.836 3.119 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262531329 432489639 /nfs/dbraw/zinc/48/96/39/432489639.db2.gz PQDUKTGGUBZCAC-FABXCBLPSA-N 1 0 322.836 3.119 10 0 DGAERO Cc1ccccc1SCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154299219 432490139 /nfs/dbraw/zinc/49/01/39/432490139.db2.gz ZVPBEDVHFBVQRF-HZPDHXFCSA-N 1 0 318.486 3.030 10 0 DGAERO [NH3+][C@H](CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000262566369 432490732 /nfs/dbraw/zinc/49/07/32/432490732.db2.gz DGQMBOMTVKWZLS-YESZJQIVSA-N 1 0 314.816 3.260 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000262567730 432491605 /nfs/dbraw/zinc/49/16/05/432491605.db2.gz WZVOCAYPEILOOF-INIZCTEOSA-N 1 0 301.434 3.004 10 0 DGAERO CN(CC1CCCCC1)C(=O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000193700229 432492019 /nfs/dbraw/zinc/49/20/19/432492019.db2.gz BYUHYXGIWAIHAE-AWEZNQCLSA-N 1 0 320.399 3.299 10 0 DGAERO CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262618574 432494168 /nfs/dbraw/zinc/49/41/68/432494168.db2.gz HGWMYHZOCYVHNZ-LZJIOBQVSA-N 1 0 322.493 3.090 10 0 DGAERO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262612926 432495008 /nfs/dbraw/zinc/49/50/08/432495008.db2.gz WMIKESCLDPACQG-KURKYZTESA-N 1 0 318.461 3.096 10 0 DGAERO O=C(c1c(Cl)cccc1Cl)N1CCN2CCCC[C@H]2C1 ZINC000176136377 432496117 /nfs/dbraw/zinc/49/61/17/432496117.db2.gz MSMZAPRGBALUDF-NSHDSACASA-N 1 0 313.228 3.304 10 0 DGAERO COc1cccc(F)c1[C@@H](C)NC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262642359 432496497 /nfs/dbraw/zinc/49/64/97/432496497.db2.gz JFGOUTMLHBAWDH-SJKOYZFVSA-N 1 0 316.376 3.020 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1 ZINC000262720951 432500108 /nfs/dbraw/zinc/50/01/08/432500108.db2.gz ZRJRLYROJHQMQZ-QGZVFWFLSA-N 1 0 300.406 3.150 10 0 DGAERO Cc1oc(-c2cccs2)nc1CN1CCC([NH+](C)C)CC1 ZINC000193812936 432501161 /nfs/dbraw/zinc/50/11/61/432501161.db2.gz QIFSXEZZUCEQAS-UHFFFAOYSA-N 1 0 305.447 3.238 10 0 DGAERO CCOc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000176248153 432504124 /nfs/dbraw/zinc/50/41/24/432504124.db2.gz MJKLVQQHQLXZGD-HNNXBMFYSA-N 1 0 305.422 3.033 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000176258778 432504642 /nfs/dbraw/zinc/50/46/42/432504642.db2.gz ROBMUVGPMIQPHR-LBPRGKRZSA-N 1 0 313.804 3.427 10 0 DGAERO Cc1[nH]c2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2c1C ZINC000262846143 432505200 /nfs/dbraw/zinc/50/52/00/432505200.db2.gz JKURVXZCQMRHEN-SFHVURJKSA-N 1 0 321.424 3.491 10 0 DGAERO C[N@@H+](CC(=O)NC(C)(C)C)CC1CCC(C(F)(F)F)CC1 ZINC000185490952 432505673 /nfs/dbraw/zinc/50/56/73/432505673.db2.gz GROZJJPNLNBHKR-UHFFFAOYSA-N 1 0 308.388 3.202 10 0 DGAERO CC(C)c1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c2ccccc2n1 ZINC000262911970 432507244 /nfs/dbraw/zinc/50/72/44/432507244.db2.gz YPSGXDGCAQIZPK-XJKSGUPXSA-N 1 0 311.429 3.086 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1CC(F)(F)CN1)c1ccc2ccccc2c1 ZINC000262961727 432509663 /nfs/dbraw/zinc/50/96/63/432509663.db2.gz KUTHBWGYIIIKKZ-ABAIWWIYSA-N 1 0 304.340 3.014 10 0 DGAERO COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc1Cl ZINC000154622995 432511159 /nfs/dbraw/zinc/51/11/59/432511159.db2.gz NIVXKICPAQTGPN-RYUDHWBXSA-N 1 0 312.841 3.102 10 0 DGAERO COc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)cc1F ZINC000261913265 432460096 /nfs/dbraw/zinc/46/00/96/432460096.db2.gz QLWSHFPMGNUKRV-SJCJKPOMSA-N 1 0 316.376 3.020 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1)C(C)C ZINC000153971595 432460236 /nfs/dbraw/zinc/46/02/36/432460236.db2.gz PXQOKALOJLWHIA-QAPCUYQASA-N 1 0 318.461 3.214 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc2ncsc2c1 ZINC000193268084 432460849 /nfs/dbraw/zinc/46/08/49/432460849.db2.gz LHGOBJPXWUWHCR-ZDUSSCGKSA-N 1 0 305.447 3.002 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](CCCc1ccc3c(c1)CCO3)CC2 ZINC000193253387 432461937 /nfs/dbraw/zinc/46/19/37/432461937.db2.gz BVIRHUPLRSTWNL-QUCCMNQESA-N 1 0 315.457 3.181 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)CC2 ZINC000153989051 432462843 /nfs/dbraw/zinc/46/28/43/432462843.db2.gz HEWWCEWMWNSULT-IUODEOHRSA-N 1 0 318.852 3.202 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]CCCN1CCOCC1)c1ccccc1 ZINC000193307879 432464559 /nfs/dbraw/zinc/46/45/59/432464559.db2.gz NDRGASYVXOABNC-NRFANRHFSA-N 1 0 324.468 3.396 10 0 DGAERO C[C@@]1(CN(CCC(F)(F)F)Cc2ccccc2)CC[NH2+]C1 ZINC000261980343 432466331 /nfs/dbraw/zinc/46/63/31/432466331.db2.gz JCVSBNANKUXSPA-OAHLLOKOSA-N 1 0 300.368 3.441 10 0 DGAERO COC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(Cl)cc1 ZINC000193957975 432512089 /nfs/dbraw/zinc/51/20/89/432512089.db2.gz ZGXVTBMURMIEJS-QGZVFWFLSA-N 1 0 321.852 3.210 10 0 DGAERO CCn1c(CN2CCC(CC[NH2+]C)CC2)nc2cc(F)ccc21 ZINC000262007088 432467556 /nfs/dbraw/zinc/46/75/56/432467556.db2.gz RVJQUJDEUZPVFO-UHFFFAOYSA-N 1 0 318.440 3.017 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000185128425 432467997 /nfs/dbraw/zinc/46/79/97/432467997.db2.gz GGDROIZBFHGPQK-CYBMUJFWSA-N 1 0 300.402 3.203 10 0 DGAERO CCOc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1C ZINC000175824127 432467988 /nfs/dbraw/zinc/46/79/88/432467988.db2.gz NUXBMDOHYGJKKE-CQSZACIVSA-N 1 0 306.450 3.100 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000175840125 432469765 /nfs/dbraw/zinc/46/97/65/432469765.db2.gz OOHGMDFSACFNHY-IUODEOHRSA-N 1 0 300.406 3.114 10 0 DGAERO C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000262017592 432470698 /nfs/dbraw/zinc/47/06/98/432470698.db2.gz XDAHVNBSOTZETN-MNOVXSKESA-N 1 0 315.339 3.215 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000176930901 432565424 /nfs/dbraw/zinc/56/54/24/432565424.db2.gz LIFGJSBJASWYJX-CQUPJYAZSA-N 1 0 316.420 3.361 10 0 DGAERO Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc(F)cc1C ZINC000176800078 432554019 /nfs/dbraw/zinc/55/40/19/432554019.db2.gz ZOFMCPDIOCEVSG-OAHLLOKOSA-N 1 0 316.380 3.336 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000155417390 432554104 /nfs/dbraw/zinc/55/41/04/432554104.db2.gz CBVSMXPVKMWGKD-XJKSGUPXSA-N 1 0 308.491 3.224 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3sccc3Cl)CC2)[nH]1 ZINC000194514860 432556081 /nfs/dbraw/zinc/55/60/81/432556081.db2.gz QTYVOKFRAVEERV-UHFFFAOYSA-N 1 0 310.854 3.462 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C(C)=C/c2ccc(F)cc2)[C@H](C)C1 ZINC000176868250 432561550 /nfs/dbraw/zinc/56/15/50/432561550.db2.gz IDPBSDWXWCVEKW-IUAQFKCUSA-N 1 0 318.436 3.418 10 0 DGAERO C[C@H](CC1CCCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000194626762 432563980 /nfs/dbraw/zinc/56/39/80/432563980.db2.gz XIBNYSMXZDNHLS-HLLBOEOZSA-N 1 0 309.498 3.469 10 0 DGAERO CC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1nc(C)cs1 ZINC000176335809 432513859 /nfs/dbraw/zinc/51/38/59/432513859.db2.gz MSWILUZKUXYXRO-UONOGXRCSA-N 1 0 324.494 3.028 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000278745706 288362322 /nfs/dbraw/zinc/36/23/22/288362322.db2.gz WWOAASYCVZFVMH-WKPIXPDZSA-N 1 0 310.235 3.451 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc3ncsc3c2)[C@@H](C)C1 ZINC000176371725 432516351 /nfs/dbraw/zinc/51/63/51/432516351.db2.gz ANHVUNUHALLZGQ-FZMZJTMJSA-N 1 0 318.446 3.147 10 0 DGAERO CC(C)[C@H](C)CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176391907 432517884 /nfs/dbraw/zinc/51/78/84/432517884.db2.gz KTJBGDDJQUTQRV-OAHLLOKOSA-N 1 0 309.498 3.375 10 0 DGAERO C[C@@H]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194051339 432520171 /nfs/dbraw/zinc/52/01/71/432520171.db2.gz MGAUYYVBIWRJGR-AEFFLSMTSA-N 1 0 321.509 3.330 10 0 DGAERO Cc1ccc(CN(C)C(=O)NCCCC[NH+]2CCC(C)CC2)o1 ZINC000194070326 432521685 /nfs/dbraw/zinc/52/16/85/432521685.db2.gz YELPMKIXHWZYTJ-UHFFFAOYSA-N 1 0 321.465 3.242 10 0 DGAERO C[NH+](C)C1CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000194071997 432522261 /nfs/dbraw/zinc/52/22/61/432522261.db2.gz VXFOEMYYQLODFU-UHFFFAOYSA-N 1 0 315.244 3.089 10 0 DGAERO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@H](c1ccccc1)N(C)C ZINC000185674283 432522360 /nfs/dbraw/zinc/52/23/60/432522360.db2.gz DKASHCIDYHHQOB-IFXJQAMLSA-N 1 0 308.429 3.344 10 0 DGAERO CCCn1cc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)cn1 ZINC000185686196 432524447 /nfs/dbraw/zinc/52/44/47/432524447.db2.gz KKUSOPJXRXVNQG-CRAIPNDOSA-N 1 0 300.450 3.074 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(C)oc3ccccc32)C1 ZINC000185719672 432527801 /nfs/dbraw/zinc/52/78/01/432527801.db2.gz BDQLVAAPNZVZLT-AWEZNQCLSA-N 1 0 300.402 3.298 10 0 DGAERO CC(=O)c1c(F)cccc1N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000154930236 432528501 /nfs/dbraw/zinc/52/85/01/432528501.db2.gz GKUIWEBMPSIGFR-ZDUSSCGKSA-N 1 0 304.409 3.481 10 0 DGAERO Cc1sc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])nc1C(C)C ZINC000263276872 432529630 /nfs/dbraw/zinc/52/96/30/432529630.db2.gz SYZYGTUXLCJQHN-LRDDRELGSA-N 1 0 309.479 3.099 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1F)CC2 ZINC000154939443 432530714 /nfs/dbraw/zinc/53/07/14/432530714.db2.gz YIKGROOMVZEJLG-WFASDCNBSA-N 1 0 320.387 3.174 10 0 DGAERO Cc1sc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])nc1C(C)C ZINC000263276875 432531155 /nfs/dbraw/zinc/53/11/55/432531155.db2.gz SYZYGTUXLCJQHN-WBMJQRKESA-N 1 0 309.479 3.099 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194193491 432532102 /nfs/dbraw/zinc/53/21/02/432532102.db2.gz MMXGFEQVQKJGHB-FUHWJXTLSA-N 1 0 317.477 3.100 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000194240870 432534541 /nfs/dbraw/zinc/53/45/41/432534541.db2.gz VWMZAZODOFSBJH-YOEHRIQHSA-N 1 0 312.417 3.116 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000185815518 432534791 /nfs/dbraw/zinc/53/47/91/432534791.db2.gz GFBDCYVTYUJFQH-CYBMUJFWSA-N 1 0 302.418 3.447 10 0 DGAERO C[C@@H](CNC(=O)Nc1ccc2cc[nH]c2c1)C[NH+]1CCCCC1 ZINC000194248561 432534713 /nfs/dbraw/zinc/53/47/13/432534713.db2.gz YPYITOSFTDDFIG-AWEZNQCLSA-N 1 0 314.433 3.411 10 0 DGAERO COCC1=CC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000185857681 432540168 /nfs/dbraw/zinc/54/01/68/432540168.db2.gz JTEJWBQIYZUESX-UHFFFAOYSA-N 1 0 320.458 3.239 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000194351105 432543105 /nfs/dbraw/zinc/54/31/05/432543105.db2.gz IKGXLXZEKXIJLF-DOMZBBRYSA-N 1 0 300.406 3.114 10 0 DGAERO CCCOc1ccc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)c(C)c1 ZINC000194354336 432545231 /nfs/dbraw/zinc/54/52/31/432545231.db2.gz NIVASWNZXYWPGH-OAHLLOKOSA-N 1 0 319.449 3.390 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000155226147 432545669 /nfs/dbraw/zinc/54/56/69/432545669.db2.gz GJUBVGYLPWNRNM-DQPZFDDXSA-N 1 0 316.445 3.326 10 0 DGAERO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000155288383 432548050 /nfs/dbraw/zinc/54/80/50/432548050.db2.gz NIHQJCZDIMWHOD-DGCLKSJQSA-N 1 0 317.260 3.317 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000155308080 432548541 /nfs/dbraw/zinc/54/85/41/432548541.db2.gz ALRDGRKYDRCCDL-UKRRQHHQSA-N 1 0 316.474 3.120 10 0 DGAERO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000156809621 432608827 /nfs/dbraw/zinc/60/88/27/432608827.db2.gz MEZDOBWDOTXPNT-MRXNPFEDSA-N 1 0 303.446 3.426 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1cccc(Cl)c1 ZINC000177310500 432611230 /nfs/dbraw/zinc/61/12/30/432611230.db2.gz FNCGHOUJWUGVQA-INIZCTEOSA-N 1 0 323.868 3.008 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(Cl)s1 ZINC000177332531 432612440 /nfs/dbraw/zinc/61/24/40/432612440.db2.gz FHQBHYYIONYGAD-LLVKDONJSA-N 1 0 315.870 3.027 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000194659966 432565919 /nfs/dbraw/zinc/56/59/19/432565919.db2.gz LGVHZHMQBXSSIU-AWEZNQCLSA-N 1 0 315.442 3.024 10 0 DGAERO C[C@]1(C[NH2+][C@H]2CCOC3(CCSCC3)C2)CCCS1 ZINC000155653093 432566204 /nfs/dbraw/zinc/56/62/04/432566204.db2.gz RUZKXZQDRAJLGU-UONOGXRCSA-N 1 0 301.521 3.307 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C12CCOCC2 ZINC000186195795 432567546 /nfs/dbraw/zinc/56/75/46/432567546.db2.gz OAKIHXLVKVJRBF-CVEARBPZSA-N 1 0 309.837 3.404 10 0 DGAERO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186203291 432567684 /nfs/dbraw/zinc/56/76/84/432567684.db2.gz LXROXGNAIMWZBS-UKRRQHHQSA-N 1 0 322.424 3.048 10 0 DGAERO Cc1c2cc(F)ccc2sc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194690222 432569600 /nfs/dbraw/zinc/56/96/00/432569600.db2.gz LOQPOEJOYYEPKR-LBPRGKRZSA-N 1 0 306.406 3.173 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1ccc(Cl)s1 ZINC000176969051 432570353 /nfs/dbraw/zinc/57/03/53/432570353.db2.gz GXUFTWAVKOISPX-LBPRGKRZSA-N 1 0 314.882 3.277 10 0 DGAERO COc1cccc(F)c1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186231334 432571251 /nfs/dbraw/zinc/57/12/51/432571251.db2.gz JBARMDHEZMNKPP-ZDUSSCGKSA-N 1 0 323.412 3.220 10 0 DGAERO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000176977126 432572186 /nfs/dbraw/zinc/57/21/86/432572186.db2.gz BXBDEWFYAZNPQB-KBAYOESNSA-N 1 0 323.502 3.325 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194733398 432572893 /nfs/dbraw/zinc/57/28/93/432572893.db2.gz JJPBSBKWOLPWRK-AWEZNQCLSA-N 1 0 320.481 3.236 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCCCCc1cccs1 ZINC000155761926 432573560 /nfs/dbraw/zinc/57/35/60/432573560.db2.gz MOPOTRQUIORBOU-GASCZTMLSA-N 1 0 308.491 3.402 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C2(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000177094550 432584799 /nfs/dbraw/zinc/58/47/99/432584799.db2.gz DASTZDYJHXEXMH-AEFFLSMTSA-N 1 0 314.473 3.198 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1c(C)cccc1OC ZINC000194971453 432591119 /nfs/dbraw/zinc/59/11/19/432591119.db2.gz SLBHTVWLHPETEZ-HUUCEWRRSA-N 1 0 317.433 3.094 10 0 DGAERO CC(C)c1nnc(CN(C)CCOc2ccc(Cl)cc2)n1C ZINC000195022370 432594371 /nfs/dbraw/zinc/59/43/71/432594371.db2.gz GQIPVDZZDQTAGP-UHFFFAOYSA-N 1 0 322.840 3.103 10 0 DGAERO CSCC[C@H](C)[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000195027992 432594979 /nfs/dbraw/zinc/59/49/79/432594979.db2.gz IDDCWNQRJIUZIW-NSHDSACASA-N 1 0 310.488 3.173 10 0 DGAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)C3CC3)CC2)cc1 ZINC000177193093 432596183 /nfs/dbraw/zinc/59/61/83/432596183.db2.gz NLHAIAIJGOSDIJ-CQSZACIVSA-N 1 0 316.445 3.078 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1-n1cccn1 ZINC000177210996 432598630 /nfs/dbraw/zinc/59/86/30/432598630.db2.gz WFWVWAVDCVYKLR-WMLDXEAASA-N 1 0 321.428 3.334 10 0 DGAERO CCc1cccc(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000156554798 432599833 /nfs/dbraw/zinc/59/98/33/432599833.db2.gz UOXXYIAHLHAFNG-LJQANCHMSA-N 1 0 314.473 3.126 10 0 DGAERO O=C(c1ccc(Cl)c(Cl)c1)N1CCN2CCCC[C@H]2C1 ZINC000195075582 432600994 /nfs/dbraw/zinc/60/09/94/432600994.db2.gz FJOWZBQTLNYXMN-LBPRGKRZSA-N 1 0 313.228 3.304 10 0 DGAERO O=C(c1cc(Cl)sc1Cl)N1CCN2CCCC[C@@H]2C1 ZINC000195077839 432601161 /nfs/dbraw/zinc/60/11/61/432601161.db2.gz VIQLEOQQGHJRQT-SECBINFHSA-N 1 0 319.257 3.365 10 0 DGAERO C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000156649445 432601434 /nfs/dbraw/zinc/60/14/34/432601434.db2.gz NDPJMYSYTUSSBT-CVEARBPZSA-N 1 0 318.461 3.373 10 0 DGAERO O=Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177239705 432601758 /nfs/dbraw/zinc/60/17/58/432601758.db2.gz APHQXZLEXWKSHD-UHFFFAOYSA-N 1 0 314.429 3.026 10 0 DGAERO Cc1cnn(CC[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC000156643231 432601985 /nfs/dbraw/zinc/60/19/85/432601985.db2.gz XZJNODWPGZVOLI-HNNXBMFYSA-N 1 0 308.429 3.128 10 0 DGAERO COc1ccc2c(c1)nc(C[NH2+][C@@H]1CCc3ccccc31)n2C ZINC000186526383 432603372 /nfs/dbraw/zinc/60/33/72/432603372.db2.gz GKXHWHNYZXIIFQ-MRXNPFEDSA-N 1 0 307.397 3.359 10 0 DGAERO CCc1csc([C@@H]2CCCN(CC(=O)OC(C)(C)C)C2)n1 ZINC000195442929 432622839 /nfs/dbraw/zinc/62/28/39/432622839.db2.gz NOOFYKLLSBPACR-GFCCVEGCSA-N 1 0 310.463 3.227 10 0 DGAERO O=C(Nc1cccc(F)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000195423861 432623204 /nfs/dbraw/zinc/62/32/04/432623204.db2.gz BKTCRZVCBCMAEN-UHFFFAOYSA-N 1 0 305.397 3.165 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000157630560 432625011 /nfs/dbraw/zinc/62/50/11/432625011.db2.gz DRYMPFRNSLKMBN-OAHLLOKOSA-N 1 0 315.461 3.269 10 0 DGAERO CCSc1ccc(Cl)cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177472968 432628066 /nfs/dbraw/zinc/62/80/66/432628066.db2.gz BXEPGMMOVUDZAH-ZDUSSCGKSA-N 1 0 324.877 3.372 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2C[C@H](C)c3ccccc32)CC1 ZINC000157776914 432628880 /nfs/dbraw/zinc/62/88/80/432628880.db2.gz JNTYXJQIUZKHON-HNNXBMFYSA-N 1 0 315.461 3.442 10 0 DGAERO CC(C)[C@H](SCC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000157718231 432629243 /nfs/dbraw/zinc/62/92/43/432629243.db2.gz VEWUUJBDFGFXDK-HOCLYGCPSA-N 1 0 308.491 3.183 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)cc(C)c1 ZINC000177502924 432630520 /nfs/dbraw/zinc/63/05/20/432630520.db2.gz ONSAGCCGHANTFD-DLBZAZTESA-N 1 0 301.434 3.394 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CCC2 ZINC000177510081 432632398 /nfs/dbraw/zinc/63/23/98/432632398.db2.gz ITSSJDHURSNBLX-QZTJIDSGSA-N 1 0 313.445 3.266 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1C ZINC000177511083 432632462 /nfs/dbraw/zinc/63/24/62/432632462.db2.gz KPZXXXHEBGYBCF-HUUCEWRRSA-N 1 0 305.397 3.225 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC2=CCCCC2)[C@H](C)C1 ZINC000157952129 432635257 /nfs/dbraw/zinc/63/52/57/432635257.db2.gz UYDFMAMZZRTTML-WBVHZDCISA-N 1 0 307.482 3.249 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000186931569 432637559 /nfs/dbraw/zinc/63/75/59/432637559.db2.gz YKZKFURPIQOYPF-AZUAARDMSA-N 1 0 316.489 3.052 10 0 DGAERO COc1cccc([C@H](C)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000177618869 432642897 /nfs/dbraw/zinc/64/28/97/432642897.db2.gz FNAVYIXLKAOOJJ-WBVHZDCISA-N 1 0 320.477 3.281 10 0 DGAERO CC(C)[NH2+]C[C@@H](O)COc1ccccc1[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000215993171 432647577 /nfs/dbraw/zinc/64/75/77/432647577.db2.gz NACJSVRGPPMZRS-LHHMISFZSA-N 1 0 303.446 3.328 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177690689 432650209 /nfs/dbraw/zinc/65/02/09/432650209.db2.gz AGUCETNSQKDDGW-AWEZNQCLSA-N 1 0 317.408 3.254 10 0 DGAERO Cc1ccc([C@H](CNc2cc[nH+]c(C)c2)N2CCOCC2)s1 ZINC000274325081 432652034 /nfs/dbraw/zinc/65/20/34/432652034.db2.gz DOAASNUYEQNNPO-INIZCTEOSA-N 1 0 317.458 3.245 10 0 DGAERO COc1c(C)cc(C[N@H+](C)[C@@H]2CCCN(C(C)C)C2=O)cc1C ZINC000177700672 432652495 /nfs/dbraw/zinc/65/24/95/432652495.db2.gz PAZLSPHLPOQCJS-QGZVFWFLSA-N 1 0 318.461 3.143 10 0 DGAERO CCOCC[N@@H+]1CCN(C[C@@H](C)c2cccc(Cl)c2)C[C@@H]1C ZINC000187211350 432653334 /nfs/dbraw/zinc/65/33/34/432653334.db2.gz VMPUTVBLBCJCIP-CVEARBPZSA-N 1 0 324.896 3.486 10 0 DGAERO O[C@@H](C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl)C(F)(F)F ZINC000158643273 432653444 /nfs/dbraw/zinc/65/34/44/432653444.db2.gz CLYLENKDXHZION-YPMHNXCESA-N 1 0 307.743 3.270 10 0 DGAERO Fc1ccc2c(c1)[C@H]([NH+]1CCC(Nc3cccnn3)CC1)CC2 ZINC000177708776 432654714 /nfs/dbraw/zinc/65/47/14/432654714.db2.gz HHUZLKYYJGNHMB-QGZVFWFLSA-N 1 0 312.392 3.180 10 0 DGAERO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1OC(F)F ZINC000177737658 432654992 /nfs/dbraw/zinc/65/49/92/432654992.db2.gz JTEKOCYFYKCRRQ-YOGCLGLASA-N 1 0 310.344 3.147 10 0 DGAERO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccs1 ZINC000159097447 432669779 /nfs/dbraw/zinc/66/97/79/432669779.db2.gz OHNPVLORJJRPPQ-CVEARBPZSA-N 1 0 316.470 3.488 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1cncc(F)c1 ZINC000158869875 432661398 /nfs/dbraw/zinc/66/13/98/432661398.db2.gz ULUULSCYUWXZIC-QWHCGFSZSA-N 1 0 311.364 3.213 10 0 DGAERO CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000159065396 432668132 /nfs/dbraw/zinc/66/81/32/432668132.db2.gz NFMDQBZUXFPVNW-OALUTQOASA-N 1 0 310.441 3.427 10 0 DGAERO C[C@@H](O)C1CCN(Cc2sccc2Br)CC1 ZINC000225784802 432698021 /nfs/dbraw/zinc/69/80/21/432698021.db2.gz IEYBRJUMPGCUDJ-SECBINFHSA-N 1 0 304.253 3.103 10 0 DGAERO C[C@H](O)C1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000225786644 432698027 /nfs/dbraw/zinc/69/80/27/432698027.db2.gz MTHJKHGCZCPAGE-JTQLQIEISA-N 1 0 316.214 3.181 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2cc(F)cc3cccnc32)C1 ZINC000188025212 432700536 /nfs/dbraw/zinc/70/05/36/432700536.db2.gz LAMHPAFCFXMISS-ACJLOTCBSA-N 1 0 302.393 3.357 10 0 DGAERO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(CCO)CC2)cc1Cl ZINC000188072527 432701453 /nfs/dbraw/zinc/70/14/53/432701453.db2.gz DWRJJTVVSCYBOC-CYBMUJFWSA-N 1 0 324.852 3.118 10 0 DGAERO CC(C)Sc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178164462 432701778 /nfs/dbraw/zinc/70/17/78/432701778.db2.gz HMCRMQJLTRCDGZ-CQSZACIVSA-N 1 0 319.474 3.499 10 0 DGAERO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](COC)C2CCOCC2)C1(C)C ZINC000188108953 432706186 /nfs/dbraw/zinc/70/61/86/432706186.db2.gz NSNAIKVTTQVKJV-YESZJQIVSA-N 1 0 313.482 3.001 10 0 DGAERO c1ccc2nc(NC3CC[NH+](C[C@H]4CCOC4)CC3)ccc2c1 ZINC000265502916 432706253 /nfs/dbraw/zinc/70/62/53/432706253.db2.gz NMAMYWHEQKXHQB-OAHLLOKOSA-N 1 0 311.429 3.148 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000227065773 432709510 /nfs/dbraw/zinc/70/95/10/432709510.db2.gz NTNPPQKBUHGRHD-FVQBIDKESA-N 1 0 324.262 3.057 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1 ZINC000188203730 432711057 /nfs/dbraw/zinc/71/10/57/432711057.db2.gz BZTJOJYRIMWIII-DLBZAZTESA-N 1 0 314.408 3.325 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227848927 432715811 /nfs/dbraw/zinc/71/58/11/432715811.db2.gz UTMBWYJAIKRNAA-RCOVLWMOSA-N 1 0 310.644 3.431 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCOc1ccccc1C ZINC000178309478 432718368 /nfs/dbraw/zinc/71/83/68/432718368.db2.gz GVSPVUVRIUFOEA-GOSISDBHSA-N 1 0 313.445 3.433 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c(F)cccc2N2CCCC2)CC[C@@H]1C ZINC000188314303 432718641 /nfs/dbraw/zinc/71/86/41/432718641.db2.gz NLFIVNTXCFHNOJ-KSSFIOAISA-N 1 0 306.425 3.283 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000159175252 432673500 /nfs/dbraw/zinc/67/35/00/432673500.db2.gz JTXDRVPTHLMYRR-CABCVRRESA-N 1 0 305.397 3.089 10 0 DGAERO CCOC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000223009144 432673903 /nfs/dbraw/zinc/67/39/03/432673903.db2.gz JCQFAVVBERIBSI-SOUVJXGZSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@H]2CCCOC2)nnn1-c1cccc(Cl)c1 ZINC000177927165 432674905 /nfs/dbraw/zinc/67/49/05/432674905.db2.gz MRAAGCCOWZSVGN-FZMZJTMJSA-N 1 0 320.824 3.059 10 0 DGAERO CCC[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccn1 ZINC000159177518 432675078 /nfs/dbraw/zinc/67/50/78/432675078.db2.gz WBWFLNFRGHCAOD-VQIMIIECSA-N 1 0 317.477 3.013 10 0 DGAERO CCN(CC)C(=O)[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1 ZINC000187648367 432675336 /nfs/dbraw/zinc/67/53/36/432675336.db2.gz WKFHQWKCMWWGMW-IRXDYDNUSA-N 1 0 318.461 3.143 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000177953128 432676915 /nfs/dbraw/zinc/67/69/15/432676915.db2.gz OKTDAMPDBDOIKM-MLGOLLRUSA-N 1 0 315.465 3.408 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1cccnc1 ZINC000224967453 432684259 /nfs/dbraw/zinc/68/42/59/432684259.db2.gz ZMYLZHBSMSJKAR-CWRNSKLLSA-N 1 0 319.449 3.426 10 0 DGAERO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(Cl)s1 ZINC000178020575 432684984 /nfs/dbraw/zinc/68/49/84/432684984.db2.gz OWYPRJMNRYYYMZ-NSHDSACASA-N 1 0 308.834 3.482 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1cccnc1 ZINC000224967492 432685148 /nfs/dbraw/zinc/68/51/48/432685148.db2.gz ZMYLZHBSMSJKAR-BPUTZDHNSA-N 1 0 319.449 3.426 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000187812064 432687317 /nfs/dbraw/zinc/68/73/17/432687317.db2.gz RROKGVVXYFHNSW-YOEHRIQHSA-N 1 0 310.869 3.144 10 0 DGAERO [NH3+]Cc1ccc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000178061001 432691147 /nfs/dbraw/zinc/69/11/47/432691147.db2.gz SNTPXSICWLAMLS-HNNXBMFYSA-N 1 0 316.788 3.052 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000187891829 432691746 /nfs/dbraw/zinc/69/17/46/432691746.db2.gz MIHGECBXDQPNGP-HKUYNNGSSA-N 1 0 324.472 3.490 10 0 DGAERO CC(C)(C)OC(=O)[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000178527987 432748817 /nfs/dbraw/zinc/74/88/17/432748817.db2.gz PRLXFVOQWQQFDZ-XJKSGUPXSA-N 1 0 305.393 3.477 10 0 DGAERO COc1ccc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c(OC)c1 ZINC000178566235 432754065 /nfs/dbraw/zinc/75/40/65/432754065.db2.gz BCNWQFVHAUGYHY-LBPRGKRZSA-N 1 0 319.376 3.186 10 0 DGAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1)C1CC1 ZINC000275835138 432754250 /nfs/dbraw/zinc/75/42/50/432754250.db2.gz VPTNZFYJXDCULU-IBGZPJMESA-N 1 0 323.440 3.210 10 0 DGAERO CCc1ccccc1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000188953550 432755577 /nfs/dbraw/zinc/75/55/77/432755577.db2.gz XYQVQIITXKYWFC-GOSISDBHSA-N 1 0 310.445 3.140 10 0 DGAERO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000188990987 432756973 /nfs/dbraw/zinc/75/69/73/432756973.db2.gz RJJWZIPCJPBRMF-LJQANCHMSA-N 1 0 321.424 3.078 10 0 DGAERO c1sc(Cc2ccccc2)nc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178626383 432759487 /nfs/dbraw/zinc/75/94/87/432759487.db2.gz KWNVIVZCHDLLKV-QGZVFWFLSA-N 1 0 313.470 3.014 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CCCCC1 ZINC000189053351 432761012 /nfs/dbraw/zinc/76/10/12/432761012.db2.gz GMOVTOOILAVDFV-RDTXWAMCSA-N 1 0 318.436 3.485 10 0 DGAERO Cc1ccc2ncnc(N3CCC[C@@H]3C[NH+]3CCCCC3)c2c1 ZINC000189070087 432762496 /nfs/dbraw/zinc/76/24/96/432762496.db2.gz XIAMCLLMKJLJFZ-MRXNPFEDSA-N 1 0 310.445 3.393 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178706768 432767691 /nfs/dbraw/zinc/76/76/91/432767691.db2.gz JKWUSNUPDQSBFR-UHFFFAOYSA-N 1 0 311.429 3.095 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1csc(Cl)c1 ZINC000189173519 432768319 /nfs/dbraw/zinc/76/83/19/432768319.db2.gz VJNNOCAMGULGDN-CQSZACIVSA-N 1 0 322.861 3.304 10 0 DGAERO COc1ccc2nc(CN3CC[C@H](C)[C@@H](OC)C3)sc2c1 ZINC000189285484 432775503 /nfs/dbraw/zinc/77/55/03/432775503.db2.gz MBJFGWCJKZPBTI-FZMZJTMJSA-N 1 0 306.431 3.162 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 ZINC000230412585 432729435 /nfs/dbraw/zinc/72/94/35/432729435.db2.gz FHEOJQWMOCTXDJ-CHWSQXEVSA-N 1 0 323.412 3.128 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000246269726 288598117 /nfs/dbraw/zinc/59/81/17/288598117.db2.gz LSUGDSSFPMWEJX-MTOAGJAQSA-N 1 0 306.837 3.281 10 0 DGAERO C[C@@H]([NH2+]CCSC(F)(F)F)c1ccc([S@](C)=O)cc1 ZINC000178419106 432734167 /nfs/dbraw/zinc/73/41/67/432734167.db2.gz IWLDNFOSAMJGJJ-HOGDKLEQSA-N 1 0 311.394 3.328 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000178446481 432737863 /nfs/dbraw/zinc/73/78/63/432737863.db2.gz YJFZJIHNATZIJD-MEDUHNTESA-N 1 0 307.340 3.358 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000178446461 432737977 /nfs/dbraw/zinc/73/79/77/432737977.db2.gz YJFZJIHNATZIJD-ZBEGNZNMSA-N 1 0 307.340 3.358 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000178446532 432739242 /nfs/dbraw/zinc/73/92/42/432739242.db2.gz OODFOMQTPOCRSG-IINYFYTJSA-N 1 0 306.431 3.153 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)C2(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000188706178 432740482 /nfs/dbraw/zinc/74/04/82/432740482.db2.gz GFDLHYGCDMUJSP-HOCLYGCPSA-N 1 0 318.436 3.090 10 0 DGAERO C[C@H]([NH3+])CCNc1ncc(Br)cc1C(F)(F)F ZINC000235489915 432744263 /nfs/dbraw/zinc/74/42/63/432744263.db2.gz OHYHBJBVCMWGSP-LURJTMIESA-N 1 0 312.133 3.012 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)c1cn[nH]c1 ZINC000235490266 432744655 /nfs/dbraw/zinc/74/46/55/432744655.db2.gz VPVRKEOHLBTINZ-GHMZBOCLSA-N 1 0 308.223 3.454 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000188795762 432745907 /nfs/dbraw/zinc/74/59/07/432745907.db2.gz ACIQMOORUUFCGA-UTWWPYJBSA-N 1 0 318.442 3.239 10 0 DGAERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@H](C)O3)c2C1 ZINC000162193732 432815992 /nfs/dbraw/zinc/81/59/92/432815992.db2.gz GDHWEOWJSPTFSZ-SUMWQHHRSA-N 1 0 302.418 3.164 10 0 DGAERO CCC[C@@H](C(=O)N1CCC(Nc2cccc(C)c2)CC1)[NH+](C)C ZINC000162266275 432818471 /nfs/dbraw/zinc/81/84/71/432818471.db2.gz UOTOVEGSBWNVOW-SFHVURJKSA-N 1 0 317.477 3.128 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000267252314 432826707 /nfs/dbraw/zinc/82/67/07/432826707.db2.gz LKDKXKCCRVVYPK-CCEZHUSRSA-N 1 0 318.436 3.419 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc2ccccc2s1 ZINC000245414485 432828622 /nfs/dbraw/zinc/82/86/22/432828622.db2.gz CIXJXLYDXSVVQQ-KGLIPLIRSA-N 1 0 301.459 3.355 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)c(F)c1 ZINC000245429711 432829222 /nfs/dbraw/zinc/82/92/22/432829222.db2.gz KXAFPPNGEGBODI-GJZGRUSLSA-N 1 0 305.397 3.225 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000162636966 432829929 /nfs/dbraw/zinc/82/99/29/432829929.db2.gz KIWSWGDRMMDYDF-ROUUACIJSA-N 1 0 306.494 3.441 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CCC2 ZINC000245428308 432830005 /nfs/dbraw/zinc/83/00/05/432830005.db2.gz ITSSJDHURSNBLX-MSOLQXFVSA-N 1 0 313.445 3.266 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)ccc1C ZINC000245437473 432830422 /nfs/dbraw/zinc/83/04/22/432830422.db2.gz WMBOYKFZNVPFOB-GJZGRUSLSA-N 1 0 305.397 3.225 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000245459901 432833224 /nfs/dbraw/zinc/83/32/24/432833224.db2.gz DUCCHHZMKFAXRD-JFIYKMOQSA-N 1 0 317.477 3.304 10 0 DGAERO C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000245455747 432833523 /nfs/dbraw/zinc/83/35/23/432833523.db2.gz IIQRSBJDFFMNBP-IXDOHACOSA-N 1 0 317.477 3.059 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000245465291 432834215 /nfs/dbraw/zinc/83/42/15/432834215.db2.gz IMUNWEKWEXOYIM-ZBFHGGJFSA-N 1 0 314.433 3.214 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000245479984 432835460 /nfs/dbraw/zinc/83/54/60/432835460.db2.gz WWEJKRZZAYBJDS-KBPBESRZSA-N 1 0 324.494 3.110 10 0 DGAERO Cc1ccc(C(=O)CC[N@@H+]2CCCN(c3ccccn3)CC2)cc1 ZINC000162883241 432836188 /nfs/dbraw/zinc/83/61/88/432836188.db2.gz APYVMZHHHFOGTC-UHFFFAOYSA-N 1 0 323.440 3.175 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[NH+](C2CCCCC2)CC1 ZINC000162858001 432836544 /nfs/dbraw/zinc/83/65/44/432836544.db2.gz FDVDAXXCUBXEQQ-AWEZNQCLSA-N 1 0 320.481 3.378 10 0 DGAERO Cc1cnc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000179015612 432796637 /nfs/dbraw/zinc/79/66/37/432796637.db2.gz DZOPYGNNMJHBMA-UONOGXRCSA-N 1 0 316.430 3.018 10 0 DGAERO Cc1cccc(-c2cccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)c2)c1 ZINC000237813992 432801174 /nfs/dbraw/zinc/80/11/74/432801174.db2.gz HNWSPEICOBIHBW-RBUKOAKNSA-N 1 0 308.425 3.406 10 0 DGAERO Cc1cc(-c2csc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)n2)c(C)o1 ZINC000237881581 432803562 /nfs/dbraw/zinc/80/35/62/432803562.db2.gz LIEDUARGKGCFCF-WDEREUQCSA-N 1 0 305.403 3.086 10 0 DGAERO Cc1cccc(C2(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)CCCC2)c1 ZINC000237929724 432803949 /nfs/dbraw/zinc/80/39/49/432803949.db2.gz SRSMIRZFJAHFSI-AEFFLSMTSA-N 1 0 314.473 3.441 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000237958450 432805884 /nfs/dbraw/zinc/80/58/84/432805884.db2.gz CHWWFPABCBFJEX-XJKSGUPXSA-N 1 0 320.864 3.395 10 0 DGAERO Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000237982917 432807364 /nfs/dbraw/zinc/80/73/64/432807364.db2.gz KEZFTVCYKVGKIE-ROUUACIJSA-N 1 0 312.457 3.357 10 0 DGAERO O=C(NCc1cccc2ccccc21)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238027250 432809265 /nfs/dbraw/zinc/80/92/65/432809265.db2.gz DZMUAQAOQLKBNK-SNRMKQJTSA-N 1 0 308.425 3.377 10 0 DGAERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@@H](C)O3)c2C1 ZINC000162193611 432815733 /nfs/dbraw/zinc/81/57/33/432815733.db2.gz GDHWEOWJSPTFSZ-CXAGYDPISA-N 1 0 302.418 3.164 10 0 DGAERO CCC[N@H+](Cc1cncnc1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000245773614 432862231 /nfs/dbraw/zinc/86/22/31/432862231.db2.gz SHULOYGNHDTDTJ-DLBZAZTESA-N 1 0 303.450 3.426 10 0 DGAERO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1OC(C)C ZINC000245776665 432863498 /nfs/dbraw/zinc/86/34/98/432863498.db2.gz SSCVBGIHRFETGD-WBVHZDCISA-N 1 0 318.461 3.151 10 0 DGAERO C[C@@H]1C[N@H+](C/C=C/c2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000245806962 432864164 /nfs/dbraw/zinc/86/41/64/432864164.db2.gz YRPIRTBEEXNABQ-YPXCQQABSA-N 1 0 320.864 3.006 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2nnc3n2CCCC3)C1(C)C ZINC000245878812 432867083 /nfs/dbraw/zinc/86/70/83/432867083.db2.gz KOAPPPQFYBYCFW-RBSFLKMASA-N 1 0 320.481 3.249 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3cccnn3)C1)[C@@H](C)C2 ZINC000245901653 432869119 /nfs/dbraw/zinc/86/91/19/432869119.db2.gz DSSSNGDPPRMFBV-RIFZZMRRSA-N 1 0 322.456 3.277 10 0 DGAERO Cc1ccc(C)c([C@H]2C[N@H+](CCCn3ccnc3)[C@@H](C)CO2)c1 ZINC000245920428 432870155 /nfs/dbraw/zinc/87/01/55/432870155.db2.gz XOLUSWKWPIXWKQ-PKOBYXMFSA-N 1 0 313.445 3.352 10 0 DGAERO CC1(C)[C@H]([NH2+]CCCCNc2ccccn2)[C@@H]2CCCO[C@H]21 ZINC000245934515 432871744 /nfs/dbraw/zinc/87/17/44/432871744.db2.gz SYHXNTOOHTXFGC-USXIJHARSA-N 1 0 303.450 3.067 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000245952700 432872137 /nfs/dbraw/zinc/87/21/37/432872137.db2.gz BJWSVXWSSWLCIX-YOEHRIQHSA-N 1 0 319.449 3.279 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000245963477 432873035 /nfs/dbraw/zinc/87/30/35/432873035.db2.gz YBHFEHZDHIEOCS-DUQPFJRNSA-N 1 0 304.478 3.288 10 0 DGAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000246040643 432874966 /nfs/dbraw/zinc/87/49/66/432874966.db2.gz XAWBDFFEGVILLD-QHAWAJNXSA-N 1 0 316.404 3.419 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000246057936 432875189 /nfs/dbraw/zinc/87/51/89/432875189.db2.gz DMAYVNWLRFFNKI-UONOGXRCSA-N 1 0 309.429 3.225 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000277928753 432879009 /nfs/dbraw/zinc/87/90/09/432879009.db2.gz QJTODAGJBPEAQV-TVQRCGJNSA-N 1 0 302.187 3.103 10 0 DGAERO CC[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000245537533 432840136 /nfs/dbraw/zinc/84/01/36/432840136.db2.gz GNGNOWSAUQYVEH-KKXDTOCCSA-N 1 0 316.445 3.135 10 0 DGAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1scnc1C1CC1 ZINC000245543239 432841977 /nfs/dbraw/zinc/84/19/77/432841977.db2.gz ADFUSNPZAYCZEH-XQQFMLRXSA-N 1 0 321.490 3.117 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)c1c(F)cccc1F ZINC000245649801 432853511 /nfs/dbraw/zinc/85/35/11/432853511.db2.gz DBLCHHYIIBAGBZ-OLZOCXBDSA-N 1 0 310.388 3.011 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ncc(Br)s1 ZINC000245685490 432855191 /nfs/dbraw/zinc/85/51/91/432855191.db2.gz SUPNZFUHYCIVKN-GUBZILKMSA-N 1 0 319.268 3.107 10 0 DGAERO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(Cl)cc1F ZINC000163508225 432855258 /nfs/dbraw/zinc/85/52/58/432855258.db2.gz VHEDWFAWCMSSNB-LLVKDONJSA-N 1 0 312.816 3.249 10 0 DGAERO C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1n1ccnc1 ZINC000245698442 432856555 /nfs/dbraw/zinc/85/65/55/432856555.db2.gz BHVMBABRIGKNBO-MAUKXSAKSA-N 1 0 321.428 3.356 10 0 DGAERO CC(C)n1cccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245707050 432858287 /nfs/dbraw/zinc/85/82/87/432858287.db2.gz RZPHWQJFHXPAIF-WMZOPIPTSA-N 1 0 311.429 3.244 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(-c4noc5c4CCCCC5)n3)cc12 ZINC000288953909 432908384 /nfs/dbraw/zinc/90/83/84/432908384.db2.gz ACPUDCFFNSUWSQ-UHFFFAOYSA-N 1 0 321.340 3.308 10 0 DGAERO c1nnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000297433206 432995144 /nfs/dbraw/zinc/99/51/44/432995144.db2.gz ICRHUFLVAORVLO-JKSUJKDBSA-N 1 0 314.458 3.029 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1Cl ZINC000341110483 432963117 /nfs/dbraw/zinc/96/31/17/432963117.db2.gz XDMKNSHGUDRIGL-SNVBAGLBSA-N 1 0 311.813 3.004 10 0 DGAERO O=C(Nc1cccc2cccnc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333201634 433039874 /nfs/dbraw/zinc/03/98/74/433039874.db2.gz XYCQNWHQXSOCLW-MRXNPFEDSA-N 1 0 324.428 3.231 10 0 DGAERO Cc1ccnc(C)c1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000333272824 433046112 /nfs/dbraw/zinc/04/61/12/433046112.db2.gz GIZBOMGSLWXZDF-CVEARBPZSA-N 1 0 316.449 3.084 10 0 DGAERO CC(C)c1cnc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000333257336 433044181 /nfs/dbraw/zinc/04/41/81/433044181.db2.gz DKOCDSBWSQLBAQ-UHFFFAOYSA-N 1 0 322.478 3.264 10 0 DGAERO C[C@H](NC(=O)Nc1ccc2c(c1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000333346736 433050460 /nfs/dbraw/zinc/05/04/60/433050460.db2.gz QRPNWSCZEUTSQH-BBRMVZONSA-N 1 0 301.434 3.075 10 0 DGAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000156587110 292732286 /nfs/dbraw/zinc/73/22/86/292732286.db2.gz WPBIUQKTNBEETP-RDJZCZTQSA-N 1 0 320.477 3.157 10 0 DGAERO c1ccc(CN2CC[C@H]([NH+]3CCC([C@@H]4CCCO4)CC3)C2)cc1 ZINC000298260737 433072987 /nfs/dbraw/zinc/07/29/87/433072987.db2.gz FOQCZAQSHHQKCE-PMACEKPBSA-N 1 0 314.473 3.152 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CN1Cc1ccccc1 ZINC000341472938 433077848 /nfs/dbraw/zinc/07/78/48/433077848.db2.gz AXWLSKOTBURNBW-HPUSYDDDSA-N 1 0 316.489 3.443 10 0 DGAERO c1ccc2c(c1)CO[C@]21CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000373106919 433090941 /nfs/dbraw/zinc/09/09/41/433090941.db2.gz NYNVEWMPLONFSM-OALUTQOASA-N 1 0 317.429 3.051 10 0 DGAERO COc1cccc(C2=CC[N@H+](CCO[C@@H]3CCCCO3)CC2)c1 ZINC000373118217 433096042 /nfs/dbraw/zinc/09/60/42/433096042.db2.gz OSHOIVYZPXVERU-LJQANCHMSA-N 1 0 317.429 3.328 10 0 DGAERO CCC1(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)COC1 ZINC000453365924 433124507 /nfs/dbraw/zinc/12/45/07/433124507.db2.gz LUXAKGTXCCEVPY-MRXNPFEDSA-N 1 0 319.836 3.179 10 0 DGAERO CC1(C)CCCC[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000157239065 292742160 /nfs/dbraw/zinc/74/21/60/292742160.db2.gz GGVTUWIQNUGMOS-QGZVFWFLSA-N 1 0 321.509 3.473 10 0 DGAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@@H]1CC=CCC1 ZINC000333964235 433133960 /nfs/dbraw/zinc/13/39/60/433133960.db2.gz OTZBQHHHEWDUAR-HFTRVMKXSA-N 1 0 314.429 3.042 10 0 DGAERO c1ccc([C@H]2C[C@H]2C[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000361377985 433142738 /nfs/dbraw/zinc/14/27/38/433142738.db2.gz JWBOSNWSLHPJPU-FUHWJXTLSA-N 1 0 309.413 3.124 10 0 DGAERO Cc1cnc(CC[NH2+][C@@H](C)c2nc3c(s2)CCCC3)cn1 ZINC000453387870 433143159 /nfs/dbraw/zinc/14/31/59/433143159.db2.gz BNUDGWDFSFIBRG-LBPRGKRZSA-N 1 0 302.447 3.014 10 0 DGAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)C1CCCCC1 ZINC000333752891 433102226 /nfs/dbraw/zinc/10/22/26/433102226.db2.gz NNPMOIILEABJIR-WMZOPIPTSA-N 1 0 316.445 3.266 10 0 DGAERO c1ccc(COc2cccnc2N2CCOCC3(CC3)C2)cc1 ZINC000354572518 433155814 /nfs/dbraw/zinc/15/58/14/433155814.db2.gz QWUFCXIYKFUMJM-UHFFFAOYSA-N 1 0 310.397 3.277 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)ccc2F)C[C@@H]1C ZINC000447135958 433164505 /nfs/dbraw/zinc/16/45/05/433164505.db2.gz KKIAWZKNQALCBR-QWHCGFSZSA-N 1 0 323.412 3.171 10 0 DGAERO C1=CC[NH+]([C@@H]2CCN(c3ncccc3OCc3ccccc3)C2)C1 ZINC000354602668 433177220 /nfs/dbraw/zinc/17/72/20/433177220.db2.gz WZRWLPJEXKFIPW-GOSISDBHSA-N 1 0 321.424 3.111 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000361456009 433183240 /nfs/dbraw/zinc/18/32/40/433183240.db2.gz HFIIUECUOKBNCX-QXCFHYIPSA-N 1 0 302.462 3.197 10 0 DGAERO CC(=O)c1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1C ZINC000447459435 433201422 /nfs/dbraw/zinc/20/14/22/433201422.db2.gz IYRZGSCBPDDBRM-GASCZTMLSA-N 1 0 316.445 3.190 10 0 DGAERO CS[C@H]1CC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000425366127 433206157 /nfs/dbraw/zinc/20/61/57/433206157.db2.gz ZNFNFSZZHXIIGR-OLZOCXBDSA-N 1 0 316.264 3.312 10 0 DGAERO CC(C)[C@@H]([NH2+]Cc1cnn2ccccc12)C1(CO)CCCC1 ZINC000453596405 433223567 /nfs/dbraw/zinc/22/35/67/433223567.db2.gz APUSXXUIOOFPCY-QGZVFWFLSA-N 1 0 301.434 3.001 10 0 DGAERO CC1(C)C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@@]2(CCOC2)O1 ZINC000361530556 433227318 /nfs/dbraw/zinc/22/73/18/433227318.db2.gz YZQIIDNUYARDMZ-SJLPKXTDSA-N 1 0 305.393 3.083 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)cn2)nc1 ZINC000425442875 433247024 /nfs/dbraw/zinc/24/70/24/433247024.db2.gz KGNIWNKBDZDYNL-OALUTQOASA-N 1 0 309.413 3.287 10 0 DGAERO Cc1cnn(CC[N@@H+](C)Cc2ccc(Br)cc2)c1 ZINC000341833730 433302620 /nfs/dbraw/zinc/30/26/20/433302620.db2.gz PVTPYJJLZROUKU-UHFFFAOYSA-N 1 0 308.223 3.086 10 0 DGAERO O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420965427 433353295 /nfs/dbraw/zinc/35/32/95/433353295.db2.gz SDNCMGDZSSPRMD-OALUTQOASA-N 1 0 303.446 3.076 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448034365 433356154 /nfs/dbraw/zinc/35/61/54/433356154.db2.gz HRSANKDQSBZJNJ-HOTGVXAUSA-N 1 0 307.482 3.105 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448034367 433356719 /nfs/dbraw/zinc/35/67/19/433356719.db2.gz HRSANKDQSBZJNJ-JKSUJKDBSA-N 1 0 307.482 3.105 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(-c4ccc5c(n4)CCCC5)n3)cc12 ZINC000351076167 433364968 /nfs/dbraw/zinc/36/49/68/433364968.db2.gz KVSKLODHCWACEE-UHFFFAOYSA-N 1 0 317.352 3.325 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(COCc4ccccc4)n3)cc12 ZINC000351109491 433375082 /nfs/dbraw/zinc/37/50/82/433375082.db2.gz UUGUHNIQFIGLIQ-UHFFFAOYSA-N 1 0 306.325 3.101 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(-c4ccc(NC5CC5)nc4)n3)cc12 ZINC000351108137 433375486 /nfs/dbraw/zinc/37/54/86/433375486.db2.gz UHFMIYNQGYGDOR-UHFFFAOYSA-N 1 0 318.340 3.021 10 0 DGAERO FC(F)(F)c1cccc([C@@]2(F)CCN(Cc3cc[nH]n3)C2)c1 ZINC000374993113 433327961 /nfs/dbraw/zinc/32/79/61/433327961.db2.gz DBQDPGYFXQDXDD-CQSZACIVSA-N 1 0 313.298 3.499 10 0 DGAERO c1ccc(COC2CC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000361665729 433329806 /nfs/dbraw/zinc/32/98/06/433329806.db2.gz DWEZHLBWONFLTE-ADXGEFSYSA-N 1 0 313.441 3.281 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(Cc4noc5ccccc45)n3)cc12 ZINC000351116245 433377240 /nfs/dbraw/zinc/37/72/40/433377240.db2.gz ZSUZQLKOABFCCI-UHFFFAOYSA-N 1 0 317.308 3.116 10 0 DGAERO Cc1ccc([C@@H](C)CC[N@@H+]2CCC(=O)N(CC(C)C)CC2)o1 ZINC000299777500 433382945 /nfs/dbraw/zinc/38/29/45/433382945.db2.gz NZXKVDIOADQYIK-HNNXBMFYSA-N 1 0 306.450 3.272 10 0 DGAERO c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@@]23CCOC3)cc1 ZINC000421027490 433398992 /nfs/dbraw/zinc/39/89/92/433398992.db2.gz UZGUJYYQVPMVHF-FQEVSTJZSA-N 1 0 319.408 3.366 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC12CCCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000189089556 290003768 /nfs/dbraw/zinc/00/37/68/290003768.db2.gz ZJNYWGJRKFBOSD-XJKSGUPXSA-N 1 0 307.459 3.464 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)c1 ZINC000339254962 433472222 /nfs/dbraw/zinc/47/22/22/433472222.db2.gz OAXPEIAPDYYBOF-OLZOCXBDSA-N 1 0 308.397 3.282 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2CCCC2(C)C)[C@H]1c1ccccc1 ZINC000179472141 290203342 /nfs/dbraw/zinc/20/33/42/290203342.db2.gz PHBGFDJEKZYQCP-JKSUJKDBSA-N 1 0 301.434 3.016 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000362070411 433514132 /nfs/dbraw/zinc/51/41/32/433514132.db2.gz XAVHNYMSXDGNAJ-QGZVFWFLSA-N 1 0 311.429 3.258 10 0 DGAERO c1c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)[nH]nc1-c1ccccc1 ZINC000355202154 433532961 /nfs/dbraw/zinc/53/29/61/433532961.db2.gz BREBBALCLKHSDY-SJORKVTESA-N 1 0 311.429 3.325 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cc(Cl)ccc1Cl ZINC000282225912 433534146 /nfs/dbraw/zinc/53/41/46/433534146.db2.gz FGNVXNMLNLESDP-RVBZMBCESA-N 1 0 301.217 3.311 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CC23CCSCC3)n(-c2ccccc2)n1 ZINC000421393649 433539946 /nfs/dbraw/zinc/53/99/46/433539946.db2.gz YVSQOLTTXGVVIG-HNNXBMFYSA-N 1 0 313.470 3.495 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cncc(Br)c2)C[C@H](C)O1 ZINC000282306303 433559659 /nfs/dbraw/zinc/55/96/59/433559659.db2.gz SFDDVNYECJMNDE-ZSBIGDGJSA-N 1 0 313.239 3.137 10 0 DGAERO C[C@H]1CCN(C(=O)CSC(=[NH2+])N(C)C)c2ccccc2S1 ZINC000029581688 290537064 /nfs/dbraw/zinc/53/70/64/290537064.db2.gz JTEKGIDJPPFFQX-NSHDSACASA-N 1 0 323.487 3.133 10 0 DGAERO c1cn(Cc2ccccc2)c(C[NH2+]C[C@H]2CCCSC2)n1 ZINC000342290563 433593098 /nfs/dbraw/zinc/59/30/98/433593098.db2.gz MTUVIDPFRYRJTP-MRXNPFEDSA-N 1 0 301.459 3.164 10 0 DGAERO CC1(C)CCCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000161633208 292839482 /nfs/dbraw/zinc/83/94/82/292839482.db2.gz JNXRPNWKIFWYSW-UHFFFAOYSA-N 1 0 309.498 3.474 10 0 DGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000456379742 433633535 /nfs/dbraw/zinc/63/35/35/433633535.db2.gz NEQVQHHWWYEVTJ-FMKPAKJESA-N 1 0 322.399 3.011 10 0 DGAERO O=C1OCC[C@@H]1CCN1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000375979654 433633955 /nfs/dbraw/zinc/63/39/55/433633955.db2.gz GAPVCSFJRPMROD-LBPRGKRZSA-N 1 0 318.804 3.064 10 0 DGAERO CCC[C@H](C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C)[NH+](C)C ZINC000162221054 292849351 /nfs/dbraw/zinc/84/93/51/292849351.db2.gz GZMBPUAHGDESIQ-YSVLISHTSA-N 1 0 306.425 3.260 10 0 DGAERO NC(=O)[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000376003061 433638103 /nfs/dbraw/zinc/63/81/03/433638103.db2.gz IDYYQUYTNGXIQB-XIRDDKMYSA-N 1 0 314.816 3.402 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]Cc1ccnc(OC3CCCC3)c1)CCC2 ZINC000375859896 433596357 /nfs/dbraw/zinc/59/63/57/433596357.db2.gz GBBVLVBSHUCJQF-MRXNPFEDSA-N 1 0 312.417 3.293 10 0 DGAERO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c(Cl)cc1F ZINC000164446766 292876034 /nfs/dbraw/zinc/87/60/34/292876034.db2.gz WPBSOYQSNDLESS-LLVKDONJSA-N 1 0 312.816 3.249 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000362284530 433619707 /nfs/dbraw/zinc/61/97/07/433619707.db2.gz ZTIJXFCTPWWUJS-XJKSGUPXSA-N 1 0 324.852 3.098 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCc1nc2ccccc2n1C ZINC000362277893 433620529 /nfs/dbraw/zinc/62/05/29/433620529.db2.gz MDZAVPRHUQVTBV-HNNXBMFYSA-N 1 0 323.440 3.384 10 0 DGAERO c1ccc(C(c2ccccc2)[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000283062493 433653487 /nfs/dbraw/zinc/65/34/87/433653487.db2.gz JPSWNEUQVFDDIB-HXUWFJFHSA-N 1 0 309.409 3.267 10 0 DGAERO c1ccc(C(c2ccccc2)[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000283062491 433653772 /nfs/dbraw/zinc/65/37/72/433653772.db2.gz JPSWNEUQVFDDIB-FQEVSTJZSA-N 1 0 309.409 3.267 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCS2)[C@@H]1c1cccs1 ZINC000362352323 433660170 /nfs/dbraw/zinc/66/01/70/433660170.db2.gz HTLRAMWNLZBSOZ-VHDGCEQUSA-N 1 0 324.515 3.143 10 0 DGAERO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cccc3ccoc32)CCN1 ZINC000449017361 433666408 /nfs/dbraw/zinc/66/64/08/433666408.db2.gz PFMZUHSXUCHJKS-GOSISDBHSA-N 1 0 320.392 3.496 10 0 DGAERO CCCc1nnc(N2CCN(Cc3cccc(C)c3)CC2)s1 ZINC000301685369 433676006 /nfs/dbraw/zinc/67/60/06/433676006.db2.gz VFRRWYCHYHCFCB-UHFFFAOYSA-N 1 0 316.474 3.121 10 0 DGAERO Cn1c2ccccc2nc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000366651129 292972104 /nfs/dbraw/zinc/97/21/04/292972104.db2.gz ISZSBYWPTPQUND-UHFFFAOYSA-N 1 0 313.445 3.212 10 0 DGAERO C[C@H]1CN(Cc2ccc(Br)c(F)c2)C[C@H](C)[NH+]1C ZINC000339623101 433690943 /nfs/dbraw/zinc/69/09/43/433690943.db2.gz WEOPUJZNOHHLJB-QWRGUYRKSA-N 1 0 315.230 3.113 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNc1ncc(Br)cc1C ZINC000301637589 433650601 /nfs/dbraw/zinc/65/06/01/433650601.db2.gz XHRJEJGIONNFJD-NSHDSACASA-N 1 0 300.244 3.295 10 0 DGAERO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)c2nccn2C)cc1 ZINC000367208523 293038229 /nfs/dbraw/zinc/03/82/29/293038229.db2.gz XCPBOGIGCZKHBJ-HPBDAGMYSA-N 1 0 311.429 3.296 10 0 DGAERO c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000367294434 293049439 /nfs/dbraw/zinc/04/94/39/293049439.db2.gz KZXFMXNPGKPTCQ-NBOOPKSLSA-N 1 0 301.430 3.348 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(F)cc1Br ZINC000367682440 293090044 /nfs/dbraw/zinc/09/00/44/293090044.db2.gz BBEFWMLDRKISPR-STRQVWJDSA-N 1 0 314.198 3.131 10 0 DGAERO CC(C)([NH3+])C(=O)N1CCC[C@@]2(C1)CCCCc1ccccc12 ZINC000371252382 293205196 /nfs/dbraw/zinc/20/51/96/293205196.db2.gz BXMHLZDZUMIVRA-LJQANCHMSA-N 1 0 300.446 3.011 10 0 DGAERO COc1cc(C)cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000373292532 293258004 /nfs/dbraw/zinc/25/80/04/293258004.db2.gz PMCRKLNEIKEEKV-CABCVRRESA-N 1 0 317.433 3.060 10 0 DGAERO c1cc([C@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)ncn1 ZINC000374100631 293351986 /nfs/dbraw/zinc/35/19/86/293351986.db2.gz FSUUSLWUMVEPCX-KRWDZBQOSA-N 1 0 303.450 3.253 10 0 DGAERO Clc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1Cl ZINC000374290012 293378184 /nfs/dbraw/zinc/37/81/84/293378184.db2.gz XTLBPUJNIGSUIG-WFASDCNBSA-N 1 0 316.228 3.421 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC23CCOCC3)cc1OC ZINC000374336666 293386302 /nfs/dbraw/zinc/38/63/02/293386302.db2.gz HKDIXLXMPYKNJL-RDTXWAMCSA-N 1 0 319.445 3.184 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2csc3ccccc23)C1 ZINC000362526353 433735205 /nfs/dbraw/zinc/73/52/05/433735205.db2.gz ZLXDVWYHSLKKDW-HNNXBMFYSA-N 1 0 316.470 3.387 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449241742 433735718 /nfs/dbraw/zinc/73/57/18/433735718.db2.gz CLJYNSZKSOZFTJ-CQSZACIVSA-N 1 0 310.363 3.333 10 0 DGAERO Cc1nc2ccc(NC(=O)N(C)[C@@H]3CCC[NH2+]CC3)cc2s1 ZINC000333168861 293467964 /nfs/dbraw/zinc/46/79/64/293467964.db2.gz PHOLEXJAHUAFMB-CYBMUJFWSA-N 1 0 318.446 3.211 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000090226860 293526834 /nfs/dbraw/zinc/52/68/34/293526834.db2.gz YAHUFEDXWLMWNB-SJORKVTESA-N 1 0 316.424 3.417 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc(O)c1Cl ZINC000293617258 433803118 /nfs/dbraw/zinc/80/31/18/433803118.db2.gz QCHCXWYZOMPRED-UHFFFAOYSA-N 1 0 314.813 3.050 10 0 DGAERO C[NH+](C)Cc1ccccc1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000362695373 433826566 /nfs/dbraw/zinc/82/65/66/433826566.db2.gz UCIRARYPPNMLMN-UHFFFAOYSA-N 1 0 310.397 3.326 10 0 DGAERO COC1(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000376002943 293601336 /nfs/dbraw/zinc/60/13/36/293601336.db2.gz GUZBIZFYNXWTEV-KOMQPUFPSA-N 1 0 309.837 3.371 10 0 DGAERO CC[N@H+](C)[C@@H]1CCN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000302768765 433857412 /nfs/dbraw/zinc/85/74/12/433857412.db2.gz MFTVZIKEIJVYNM-GFCCVEGCSA-N 1 0 316.474 3.101 10 0 DGAERO O[C@@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)C(F)F ZINC000436303051 433934642 /nfs/dbraw/zinc/93/46/42/433934642.db2.gz BIENEPNRHQTRNH-HOTGVXAUSA-N 1 0 309.331 3.325 10 0 DGAERO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000303560430 433945976 /nfs/dbraw/zinc/94/59/76/433945976.db2.gz AALARQFMFYZXHD-RBUKOAKNSA-N 1 0 305.462 3.322 10 0 DGAERO C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 ZINC000377751678 433981979 /nfs/dbraw/zinc/98/19/79/433981979.db2.gz XGMRYUQTQFOWJE-KLICCBINSA-N 1 0 322.493 3.151 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000340210898 433984598 /nfs/dbraw/zinc/98/45/98/433984598.db2.gz XFMMQNYKPWAYOR-ROUUACIJSA-N 1 0 302.462 3.198 10 0 DGAERO c1ccc2c(c1)cccc2OCCCN1CCC2(CC[NH2+]2)CC1 ZINC000422631654 433937024 /nfs/dbraw/zinc/93/70/24/433937024.db2.gz FUEJKKCEXWCMEU-UHFFFAOYSA-N 1 0 310.441 3.437 10 0 DGAERO C[C@@H]1CCC[C@@H](CC[NH2+]Cc2c(Br)cnn2C)C1 ZINC000394074121 293833226 /nfs/dbraw/zinc/83/32/26/293833226.db2.gz XEBYCFXLWVTIHF-NEPJUHHUSA-N 1 0 314.271 3.489 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@H]1C ZINC000395161618 293837325 /nfs/dbraw/zinc/83/73/25/293837325.db2.gz NHYYKGXQIQJMBK-GBIKHYSHSA-N 1 0 311.223 3.022 10 0 DGAERO Cc1cccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000400413994 293864129 /nfs/dbraw/zinc/86/41/29/293864129.db2.gz UVZWMVPLRSFMGC-CABCVRRESA-N 1 0 319.449 3.125 10 0 DGAERO C[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400516229 293864890 /nfs/dbraw/zinc/86/48/90/293864890.db2.gz GKESHQRRVKCBAX-VXGBXAGGSA-N 1 0 306.397 3.267 10 0 DGAERO CSC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739452 293865754 /nfs/dbraw/zinc/86/57/54/293865754.db2.gz SJGSAOMPOZGWAD-QWHCGFSZSA-N 1 0 316.511 3.363 10 0 DGAERO CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)OC ZINC000400720059 293865891 /nfs/dbraw/zinc/86/58/91/293865891.db2.gz OFFKERNXZSZCPE-RRFJBIMHSA-N 1 0 314.470 3.037 10 0 DGAERO O=C(N[C@H]1CCCC(F)(F)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450155213 433999390 /nfs/dbraw/zinc/99/93/90/433999390.db2.gz GYQOQQKSUKJVED-ZFWWWQNUSA-N 1 0 314.420 3.478 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000357598005 434093445 /nfs/dbraw/zinc/09/34/45/434093445.db2.gz QTOHIJAKELEXPX-SFHVURJKSA-N 1 0 302.462 3.406 10 0 DGAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000309580480 434095660 /nfs/dbraw/zinc/09/56/60/434095660.db2.gz LFAVTTJOCBGARP-FHLIZLRMSA-N 1 0 300.446 3.189 10 0 DGAERO CC(C)[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)CC1 ZINC000309572525 434098859 /nfs/dbraw/zinc/09/88/59/434098859.db2.gz AALARQFMFYZXHD-OALUTQOASA-N 1 0 305.462 3.322 10 0 DGAERO C[N@H+](CCCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C1CC1 ZINC000457210376 434053559 /nfs/dbraw/zinc/05/35/59/434053559.db2.gz VLYIZBBVYCUELB-GDBMZVCRSA-N 1 0 322.399 3.059 10 0 DGAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000309811776 434102301 /nfs/dbraw/zinc/10/23/01/434102301.db2.gz MXXXEBYWXJBHHF-HOCLYGCPSA-N 1 0 310.397 3.202 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c(Br)c1 ZINC000310749241 434113149 /nfs/dbraw/zinc/11/31/49/434113149.db2.gz UKRCMZZUJLXXAS-TZMCWYRMSA-N 1 0 312.251 3.398 10 0 DGAERO C[NH+](C)CCCCNC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000498357658 294057433 /nfs/dbraw/zinc/05/74/33/294057433.db2.gz ZOJCPIUFKKLVSI-UHFFFAOYSA-N 1 0 320.452 3.486 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC[C@@H]([C@H](C)[NH3+])C3)c2c1C ZINC000261680955 294080409 /nfs/dbraw/zinc/08/04/09/294080409.db2.gz MKKAYJSNFWWTIL-GXFFZTMASA-N 1 0 304.463 3.180 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2COCC2(C)C)CCN1Cc1ccccc1 ZINC000313130038 434123423 /nfs/dbraw/zinc/12/34/23/434123423.db2.gz YAZIGRIPSSCVBH-BPQIPLTHSA-N 1 0 302.462 3.054 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000506296392 294268239 /nfs/dbraw/zinc/26/82/39/294268239.db2.gz ZADDHSHXBXIOET-AWEZNQCLSA-N 1 0 317.360 3.471 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000506900880 294277681 /nfs/dbraw/zinc/27/76/81/294277681.db2.gz HFVGGVCJUGTSBE-HRCADAONSA-N 1 0 307.482 3.081 10 0 DGAERO C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508115564 294317442 /nfs/dbraw/zinc/31/74/42/294317442.db2.gz CEELUNATXASIJI-KURKYZTESA-N 1 0 321.509 3.473 10 0 DGAERO C[C@@H](O)CC[N@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000450397213 434155586 /nfs/dbraw/zinc/15/55/86/434155586.db2.gz YMJYLFLGEQXJHA-MRXNPFEDSA-N 1 0 315.461 3.492 10 0 DGAERO c1cn(C2CCCC2)nc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422994168 434159701 /nfs/dbraw/zinc/15/97/01/434159701.db2.gz USPBVSJTFYNJPH-IPMKNSEASA-N 1 0 316.493 3.399 10 0 DGAERO CC(C)(C)OCC[NH2+]Cc1cccc(O)c1Br ZINC000315265592 434161857 /nfs/dbraw/zinc/16/18/57/434161857.db2.gz RBWPLXGTRIQLFS-UHFFFAOYSA-N 1 0 302.212 3.059 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1(C(N)=O)CCCC1 ZINC000513488160 294474693 /nfs/dbraw/zinc/47/46/93/294474693.db2.gz PZFHFJQJNURRQN-RAXLEYEMSA-N 1 0 306.837 3.379 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000514211020 294496696 /nfs/dbraw/zinc/49/66/96/294496696.db2.gz MMVKDHCHZPYKNO-UHFFFAOYSA-N 1 0 317.477 3.339 10 0 DGAERO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc2c(s1)CCC2 ZINC000437075159 434211077 /nfs/dbraw/zinc/21/10/77/434211077.db2.gz RPMPCPVTBDROGD-CJNGLKHVSA-N 1 0 301.455 3.491 10 0 DGAERO CN(C)C1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCC1 ZINC000437106954 434214007 /nfs/dbraw/zinc/21/40/07/434214007.db2.gz JIFBLNGOYXVMGN-WMZOPIPTSA-N 1 0 302.462 3.228 10 0 DGAERO C[C@H](F)CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000515054771 294536130 /nfs/dbraw/zinc/53/61/30/294536130.db2.gz HSGHHWGMJLAXHX-GXSJLCMTSA-N 1 0 310.196 3.071 10 0 DGAERO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC000437420919 434262505 /nfs/dbraw/zinc/26/25/05/434262505.db2.gz MSGOJASRCQRCRI-BPUTZDHNSA-N 1 0 308.853 3.288 10 0 DGAERO C[C@H]1CN(C(=O)c2ccc(Cl)cc2F)CC[N@@H+](C2CC2)C1 ZINC000295219184 434263384 /nfs/dbraw/zinc/26/33/84/434263384.db2.gz AISWQMPNCJYYSN-LLVKDONJSA-N 1 0 310.800 3.035 10 0 DGAERO CCCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379715130 434265234 /nfs/dbraw/zinc/26/52/34/434265234.db2.gz ZCPJODQVDMZTMA-KRWDZBQOSA-N 1 0 303.450 3.140 10 0 DGAERO Cc1cccnc1CC[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000295137493 434223493 /nfs/dbraw/zinc/22/34/93/434223493.db2.gz ZIDYCHNNZCRTGH-PKOBYXMFSA-N 1 0 309.457 3.185 10 0 DGAERO C[C@@H](CN[C@H]1CCc2sc(Br)cc21)C[NH+](C)C ZINC000383457578 434287773 /nfs/dbraw/zinc/28/77/73/434287773.db2.gz IJATTWBLVMWPLH-ONGXEEELSA-N 1 0 317.296 3.285 10 0 DGAERO C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CCC[C@@H](O)C1 ZINC000383731681 434288765 /nfs/dbraw/zinc/28/87/65/434288765.db2.gz WWPACUCJFCKEQW-ZYHUDNBSSA-N 1 0 318.280 3.494 10 0 DGAERO Brc1ccc([C@@H](NC[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423232914 434298295 /nfs/dbraw/zinc/29/82/95/434298295.db2.gz JBBITOPTBKEPKY-GJZGRUSLSA-N 1 0 309.251 3.242 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000385044556 434299167 /nfs/dbraw/zinc/29/91/67/434299167.db2.gz ZOYZHVZZEDJZTN-IMSIIYSGSA-N 1 0 314.223 3.113 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)ccc1Br ZINC000386293960 434308582 /nfs/dbraw/zinc/30/85/82/434308582.db2.gz QCAHUUXYRPNVRV-IINYFYTJSA-N 1 0 316.214 3.181 10 0 DGAERO c1ccc([C@@H]2CCCC[C@@H]([NH2+]CCN3CCOCC3)C2)cc1 ZINC000517106408 294656359 /nfs/dbraw/zinc/65/63/59/294656359.db2.gz YHLXDAHKXPEDOT-RTBURBONSA-N 1 0 302.462 3.025 10 0 DGAERO c1c(C[NH+]2CCC(c3ccncn3)CC2)[nH]nc1-c1ccccc1 ZINC000517326842 294668927 /nfs/dbraw/zinc/66/89/27/294668927.db2.gz SOUKESQRDINWBW-UHFFFAOYSA-N 1 0 319.412 3.246 10 0 DGAERO COC[C@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000450676739 434332473 /nfs/dbraw/zinc/33/24/73/434332473.db2.gz FPBQUSNRMPRRTP-CCKFTAQKSA-N 1 0 317.404 3.267 10 0 DGAERO CC1CCC(C[NH2+]Cc2nn(C)cc2Br)CC1 ZINC000393320203 434391577 /nfs/dbraw/zinc/39/15/77/434391577.db2.gz HIGARGOCTAJHEJ-UHFFFAOYSA-N 1 0 300.244 3.099 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCC[C@H]2c2ccsc2)CC1 ZINC000358192173 434378904 /nfs/dbraw/zinc/37/89/04/434378904.db2.gz PEYPBQCPIPOTDI-INIZCTEOSA-N 1 0 319.474 3.247 10 0 DGAERO Cc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3C[C@H](C)O)n2)cc1 ZINC000392065411 434383141 /nfs/dbraw/zinc/38/31/41/434383141.db2.gz WAGGBBWEJKTGAK-HOCLYGCPSA-N 1 0 315.417 3.170 10 0 DGAERO O[C@@H]1CCC[C@@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000388520978 434338385 /nfs/dbraw/zinc/33/83/85/434338385.db2.gz XHFWKFYEQPEOQA-MWLCHTKSSA-N 1 0 304.253 3.151 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000389192337 434344046 /nfs/dbraw/zinc/34/40/46/434344046.db2.gz VSMAFQNUYYZSBK-MWLCHTKSSA-N 1 0 303.269 3.255 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000389223112 434344803 /nfs/dbraw/zinc/34/48/03/434344803.db2.gz GDVAUWRHBVNNAY-ZYHUDNBSSA-N 1 0 315.230 3.333 10 0 DGAERO CCN1CC[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000389191358 434348377 /nfs/dbraw/zinc/34/83/77/434348377.db2.gz VHCSEPYLVCPOJW-MRVPVSSYSA-N 1 0 323.687 3.348 10 0 DGAERO CC[NH+](CC)CCSCC(=O)Nc1cccc2c1OCCC2 ZINC000366169316 434348601 /nfs/dbraw/zinc/34/86/01/434348601.db2.gz JFROKWKXHYIPFK-UHFFFAOYSA-N 1 0 322.474 3.025 10 0 DGAERO COC[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000389868534 434350779 /nfs/dbraw/zinc/35/07/79/434350779.db2.gz NKWJXMDXFGGNRA-YYWHXJBOSA-N 1 0 324.468 3.484 10 0 DGAERO COc1cc(C[NH2+]CCN2CC=C(C)CC2)cc(Cl)c1OC ZINC000358166415 434360066 /nfs/dbraw/zinc/36/00/66/434360066.db2.gz LRJBEZRZUYRWPJ-UHFFFAOYSA-N 1 0 324.852 3.099 10 0 DGAERO CC[C@H](O)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000358169470 434360644 /nfs/dbraw/zinc/36/06/44/434360644.db2.gz PEUOMEZDPMTQGE-NEWSRXKRSA-N 1 0 304.478 3.038 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)COc1ccc(Cl)c(Cl)c1 ZINC000397747634 434442543 /nfs/dbraw/zinc/44/25/43/434442543.db2.gz JSHJSEGSBVVAER-USZNOCQGSA-N 1 0 316.228 3.121 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)[C@H](C)O1 ZINC000398088858 434448882 /nfs/dbraw/zinc/44/88/82/434448882.db2.gz WIXYADJBPXXTTP-KCITZHQASA-N 1 0 302.462 3.197 10 0 DGAERO c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353749133 434395413 /nfs/dbraw/zinc/39/54/13/434395413.db2.gz KOLIGUAUYJGMCO-IBGZPJMESA-N 1 0 315.461 3.074 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353749433 434395752 /nfs/dbraw/zinc/39/57/52/434395752.db2.gz KYNHRSQTUUPSSS-LJQANCHMSA-N 1 0 311.429 3.469 10 0 DGAERO Cc1ccncc1C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C ZINC000397449485 434435637 /nfs/dbraw/zinc/43/56/37/434435637.db2.gz QQRXAAPJNGOBQM-UHFFFAOYSA-N 1 0 307.438 3.173 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCCC[C@@H]1c1ccnn1C ZINC000450900225 434467707 /nfs/dbraw/zinc/46/77/07/434467707.db2.gz GCKJBTSYPQATEL-SJLPKXTDSA-N 1 0 304.482 3.210 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000400642162 434488884 /nfs/dbraw/zinc/48/88/84/434488884.db2.gz PVIJTUIDXBTHIC-RTBURBONSA-N 1 0 302.462 3.057 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000438493076 434494213 /nfs/dbraw/zinc/49/42/13/434494213.db2.gz QBZXZWZGMHNCOA-CZUORRHYSA-N 1 0 302.418 3.194 10 0 DGAERO C[C@@H](O)CC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000450940497 434495232 /nfs/dbraw/zinc/49/52/32/434495232.db2.gz OBQNJTDNNOSUDC-RISCZKNCSA-N 1 0 305.315 3.347 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(C)C)C2)cc1 ZINC000438505968 434498824 /nfs/dbraw/zinc/49/88/24/434498824.db2.gz RGHDTSVKOQGUHV-BBRMVZONSA-N 1 0 302.418 3.194 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000423640444 434503328 /nfs/dbraw/zinc/50/33/28/434503328.db2.gz KEICUUVSNKONME-FZMZJTMJSA-N 1 0 312.866 3.160 10 0 DGAERO C[C@]1(C[NH2+][C@H]2CCCOCC2)CCCN1Cc1ccccc1 ZINC000397973108 434452422 /nfs/dbraw/zinc/45/24/22/434452422.db2.gz CGGLCGSCLMFIEI-RBUKOAKNSA-N 1 0 302.462 3.200 10 0 DGAERO CCO[C@@H]1C[C@](CO)([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1(C)C ZINC000438331691 434452549 /nfs/dbraw/zinc/45/25/49/434452549.db2.gz OZXKJJMBNDLYRV-JRBPQWBISA-N 1 0 317.473 3.478 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000451040099 434543676 /nfs/dbraw/zinc/54/36/76/434543676.db2.gz FOCHLLNNEGQLQA-HUUCEWRRSA-N 1 0 316.228 3.374 10 0 DGAERO COC(=O)c1cc(C(C)(C)[NH2+]CCc2ccc(Cl)cc2)no1 ZINC000451048620 434544438 /nfs/dbraw/zinc/54/44/38/434544438.db2.gz WXPKKECBZMGATE-UHFFFAOYSA-N 1 0 322.792 3.182 10 0 DGAERO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)[C@H]2C1 ZINC000408185167 434550199 /nfs/dbraw/zinc/55/01/99/434550199.db2.gz HIMMPUDYASQSOP-YJBOKZPZSA-N 1 0 324.428 3.240 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1Cl ZINC000408206613 434551678 /nfs/dbraw/zinc/55/16/78/434551678.db2.gz BWGCBLSOUCMKKK-GHMZBOCLSA-N 1 0 323.824 3.099 10 0 DGAERO C[C@@H](O)CC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000451065688 434552140 /nfs/dbraw/zinc/55/21/40/434552140.db2.gz RVJUJXRTDSJDDL-OCCSQVGLSA-N 1 0 312.251 3.084 10 0 DGAERO CC[N@H+](CCOC[C@@H]1CCCO1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000525488528 295017335 /nfs/dbraw/zinc/01/73/35/295017335.db2.gz VTVVIKYYHRIGIV-LPHOPBHVSA-N 1 0 321.461 3.144 10 0 DGAERO C[C@H]1C[C@H]([NH2+]Cc2n[nH]cc2Br)CC(C)(C)C1 ZINC000525709415 295027625 /nfs/dbraw/zinc/02/76/25/295027625.db2.gz ZPAAAQQBKMQFOA-UWVGGRQHSA-N 1 0 300.244 3.477 10 0 DGAERO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC000525737328 295029312 /nfs/dbraw/zinc/02/93/12/295029312.db2.gz QZLIKWKXMFYNIB-YCPHGPKFSA-N 1 0 304.434 3.093 10 0 DGAERO CCn1nncc1C[NH+]1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000459291560 434562813 /nfs/dbraw/zinc/56/28/13/434562813.db2.gz CNXXCCKEMHAYLJ-UHFFFAOYSA-N 1 0 323.444 3.467 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)Cc2ccsc2)n1 ZINC000526050823 295053613 /nfs/dbraw/zinc/05/36/13/295053613.db2.gz MCLSGOMWKXLHOK-NSHDSACASA-N 1 0 324.471 3.145 10 0 DGAERO CCCn1c(C(=O)N(C)CCC[NH+](C)C)cc2ccccc21 ZINC000526058403 295054415 /nfs/dbraw/zinc/05/44/15/295054415.db2.gz BQAKCBXGMAFYDL-UHFFFAOYSA-N 1 0 301.434 3.075 10 0 DGAERO c1ccc(-c2ncc(CNC3CC([NH+]4CCCCC4)C3)cn2)cc1 ZINC000527000565 295070086 /nfs/dbraw/zinc/07/00/86/295070086.db2.gz OQXAAYUDVPTKON-UHFFFAOYSA-N 1 0 322.456 3.250 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000527355637 295093602 /nfs/dbraw/zinc/09/36/02/295093602.db2.gz WMSHUXXERLTYOC-CZUORRHYSA-N 1 0 308.853 3.434 10 0 DGAERO Fc1c(Br)ccc(C[NH2+]CC[C@H]2CCCO2)c1F ZINC000527635907 295107582 /nfs/dbraw/zinc/10/75/82/295107582.db2.gz OYZXNJDINUJODI-SNVBAGLBSA-N 1 0 320.177 3.386 10 0 DGAERO Cc1nccn1CCC[NH2+]Cc1ccsc1Br ZINC000527642622 295108506 /nfs/dbraw/zinc/10/85/06/295108506.db2.gz VORNBNGOUNFBHE-UHFFFAOYSA-N 1 0 314.252 3.195 10 0 DGAERO Brc1cc(C[NH2+]CC[C@H]2CCCOC2)cs1 ZINC000527741294 295123790 /nfs/dbraw/zinc/12/37/90/295123790.db2.gz YUZJMRFFNKQBMZ-SNVBAGLBSA-N 1 0 304.253 3.417 10 0 DGAERO CCn1nncc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000459384412 434573101 /nfs/dbraw/zinc/57/31/01/434573101.db2.gz IMBYGQJXLAIPOY-UHFFFAOYSA-N 1 0 324.350 3.486 10 0 DGAERO CCC([NH2+]Cc1c(Br)cnn1C)(C1CC1)C1CC1 ZINC000527761100 295126929 /nfs/dbraw/zinc/12/69/29/295126929.db2.gz FFJDVPWNSFIPOD-UHFFFAOYSA-N 1 0 312.255 3.241 10 0 DGAERO Cc1nn(C)c(C[NH2+]CC[C@H]2CC=CCC2)c1Br ZINC000527785544 295130004 /nfs/dbraw/zinc/13/00/04/295130004.db2.gz AEYYKYINJIYWEY-LBPRGKRZSA-N 1 0 312.255 3.327 10 0 DGAERO c1c(C[NH2+]C[C@H]2CCN2C2CCCC2)[nH]nc1-c1ccccc1 ZINC000527809005 295134313 /nfs/dbraw/zinc/13/43/13/295134313.db2.gz RWUBZZOPFVOHDO-GOSISDBHSA-N 1 0 310.445 3.183 10 0 DGAERO C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCN1C1CCCC1 ZINC000528002790 295164673 /nfs/dbraw/zinc/16/46/73/295164673.db2.gz QXVCNDNPMIJRKR-NXWXRZEISA-N 1 0 306.494 3.188 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000360333676 434581262 /nfs/dbraw/zinc/58/12/62/434581262.db2.gz APKNEHVRPJAMEG-CQSZACIVSA-N 1 0 312.360 3.143 10 0 DGAERO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000528444304 295215266 /nfs/dbraw/zinc/21/52/66/295215266.db2.gz WFPXTTSUYVBIQY-SNVBAGLBSA-N 1 0 322.193 3.224 10 0 DGAERO CC1(C)C[N@H+](CC2CCC(F)(F)CC2)C[C@@]2(CCOC2)O1 ZINC000459431881 434583441 /nfs/dbraw/zinc/58/34/41/434583441.db2.gz AMKKEMCHHZJXLT-OAHLLOKOSA-N 1 0 303.393 3.082 10 0 DGAERO COc1cccc([C@H]2[C@@H](Nc3cc(C)ncn3)CC[N@@H+]2C2CC2)c1 ZINC000302018742 295330887 /nfs/dbraw/zinc/33/08/87/295330887.db2.gz CWMRXGJZTYVFLB-HKUYNNGSSA-N 1 0 324.428 3.184 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000354096001 434618717 /nfs/dbraw/zinc/61/87/17/434618717.db2.gz GLHSEUMSXHWRFT-GJZGRUSLSA-N 1 0 315.442 3.064 10 0 DGAERO CC(C)C[N@H+](CCOc1ccc(F)cc1)Cc1cnn(C)c1 ZINC000459599991 434627746 /nfs/dbraw/zinc/62/77/46/434627746.db2.gz ZQAQDTITIBNSSY-UHFFFAOYSA-N 1 0 305.397 3.096 10 0 DGAERO c1c(C[NH+]2CCC(OCC3CC3)CC2)[nH]nc1-c1ccccc1 ZINC000354122240 434631217 /nfs/dbraw/zinc/63/12/17/434631217.db2.gz YCHBXNPYJZTEFE-UHFFFAOYSA-N 1 0 311.429 3.468 10 0 DGAERO CC(=O)c1ccc2c(c1)CCN(CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC000371045135 434636204 /nfs/dbraw/zinc/63/62/04/434636204.db2.gz TXZILRGGAZFMOS-FQEVSTJZSA-N 1 0 314.473 3.164 10 0 DGAERO COCCC1(C)C[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000459638295 434642457 /nfs/dbraw/zinc/64/24/57/434642457.db2.gz YVHJIRVTHIYQNV-GOSISDBHSA-N 1 0 319.445 3.103 10 0 DGAERO COCCC1(C)C[NH+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000459640667 434644504 /nfs/dbraw/zinc/64/45/04/434644504.db2.gz XEHRGADZUQNPOK-AWEZNQCLSA-N 1 0 309.425 3.371 10 0 DGAERO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000459649111 434648500 /nfs/dbraw/zinc/64/85/00/434648500.db2.gz JDTDOLUTSHFVMI-HNNXBMFYSA-N 1 0 322.412 3.435 10 0 DGAERO c1ccc2c(c1)CO[C@@]21CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000360669355 434664382 /nfs/dbraw/zinc/66/43/82/434664382.db2.gz OLJWVEOFBAYOSO-IEBWSBKVSA-N 1 0 301.430 3.467 10 0 DGAERO O=C(Nc1ccc2c(c1)CCCO2)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440140443 434681476 /nfs/dbraw/zinc/68/14/76/434681476.db2.gz HDNMVUWQFWQXTF-KRWDZBQOSA-N 1 0 314.429 3.357 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000460223595 434748560 /nfs/dbraw/zinc/74/85/60/434748560.db2.gz YKVPVLILGBOICP-UHFFFAOYSA-N 1 0 313.445 3.013 10 0 DGAERO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000360826079 434703019 /nfs/dbraw/zinc/70/30/19/434703019.db2.gz RRBZJVDQNIXMPE-MEBBXXQBSA-N 1 0 318.244 3.432 10 0 DGAERO CC(C)N(C(=O)C[NH2+]C1(CCO)CCCCC1)c1ccccc1 ZINC000440907635 434755177 /nfs/dbraw/zinc/75/51/77/434755177.db2.gz XKUFQDASHRHVEL-UHFFFAOYSA-N 1 0 318.461 3.103 10 0 DGAERO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N1CCC12CCC2 ZINC000442614676 434771256 /nfs/dbraw/zinc/77/12/56/434771256.db2.gz ZJEUVTVSBIQPMJ-UHFFFAOYSA-N 1 0 319.493 3.371 10 0 DGAERO CCCCc1c(C)nc2nc(SC[C@H](C)[NH+](C)C)nn2c1C ZINC000460432560 434757845 /nfs/dbraw/zinc/75/78/45/434757845.db2.gz UJPLLNWXFFMOEB-NSHDSACASA-N 1 0 321.494 3.126 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(Cl)cccc1Cl ZINC000245422905 297099934 /nfs/dbraw/zinc/09/99/34/297099934.db2.gz QGMLBBBSAADRRE-MNOVXSKESA-N 1 0 313.228 3.302 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449156497 297188285 /nfs/dbraw/zinc/18/82/85/297188285.db2.gz DPLSBSCMWLYVSL-HGTKMLMNSA-N 1 0 310.532 3.472 10 0 DGAERO c1ccc2sc(N3CCC([NH2+][C@H]4CCCOC4)CC3)nc2c1 ZINC000371971752 434777972 /nfs/dbraw/zinc/77/79/72/434777972.db2.gz AGJOUBGVLWZHHX-AWEZNQCLSA-N 1 0 317.458 3.034 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC23CCC3)C1 ZINC000435617137 297226779 /nfs/dbraw/zinc/22/67/79/297226779.db2.gz MQVAKWOBKDLQAR-HUUCEWRRSA-N 1 0 307.482 3.081 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)CCOCC1 ZINC000453108781 434802940 /nfs/dbraw/zinc/80/29/40/434802940.db2.gz LSYWAEXBVMVRAH-JYJNAYRXSA-N 1 0 313.482 3.001 10 0 DGAERO COc1cccc(Cl)c1C[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453217051 434831278 /nfs/dbraw/zinc/83/12/78/434831278.db2.gz RGGOUZDEYNOWDP-GFCCVEGCSA-N 1 0 313.825 3.022 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000461311719 434876534 /nfs/dbraw/zinc/87/65/34/434876534.db2.gz ZSOMSPUPTBVLHB-SJLPKXTDSA-N 1 0 302.462 3.225 10 0 DGAERO Cc1nc(-c2ccccc2)c(C(=O)N(C)CCC[NH+](C)C)s1 ZINC000553548934 434895580 /nfs/dbraw/zinc/89/55/80/434895580.db2.gz KTFICFFCFLJDCV-UHFFFAOYSA-N 1 0 317.458 3.142 10 0 DGAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC2(CC2)c2ccccc21 ZINC000462009517 434897509 /nfs/dbraw/zinc/89/75/09/434897509.db2.gz KKSLZKRZSNQGCL-OAHLLOKOSA-N 1 0 315.461 3.368 10 0 DGAERO O=C1[C@@H]([NH2+]CCc2cccc(Cl)c2)CCN1c1ccccc1 ZINC000553608732 434897510 /nfs/dbraw/zinc/89/75/10/434897510.db2.gz NBAIAWXSNQQFHL-KRWDZBQOSA-N 1 0 314.816 3.278 10 0 DGAERO CC(C)c1ccc(/C=C\CC(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000492111707 434917520 /nfs/dbraw/zinc/91/75/20/434917520.db2.gz VQGWAKTYQURKMS-VGOKWCNXSA-N 1 0 300.446 3.281 10 0 DGAERO CC(C)[C@@H](CO)C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000554377382 434925428 /nfs/dbraw/zinc/92/54/28/434925428.db2.gz NQKLCARDOYKLFM-PBHICJAKSA-N 1 0 321.852 3.017 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1 ZINC000462799141 434929086 /nfs/dbraw/zinc/92/90/86/434929086.db2.gz RJEVQDIUMHPEEY-SFHVURJKSA-N 1 0 305.418 3.158 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000462796879 434929685 /nfs/dbraw/zinc/92/96/85/434929685.db2.gz YKOUFLIQUQFRQS-MRXNPFEDSA-N 1 0 305.418 3.301 10 0 DGAERO CCc1[nH+]c2ccccc2c(N2CCC[C@H](C(=O)OC)C2)c1C ZINC000554490933 434929765 /nfs/dbraw/zinc/92/97/65/434929765.db2.gz WQRQRNXVANXHMC-AWEZNQCLSA-N 1 0 312.413 3.495 10 0 DGAERO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H](O)C(C)(C)C ZINC000573867947 434931449 /nfs/dbraw/zinc/93/14/49/434931449.db2.gz VYSYHLINPYEUNU-ZDUSSCGKSA-N 1 0 305.340 3.424 10 0 DGAERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C1CCC(F)(F)CC1 ZINC000555727808 434986205 /nfs/dbraw/zinc/98/62/05/434986205.db2.gz QOCITCXINCHEJA-AWEZNQCLSA-N 1 0 302.409 3.145 10 0 DGAERO O[C@@H](C[NH+]1CCC(OCC2CCCCC2)CC1)CC(F)(F)F ZINC000574571075 434988929 /nfs/dbraw/zinc/98/89/29/434988929.db2.gz WMKVCPVOVLYWPC-CQSZACIVSA-N 1 0 323.399 3.361 10 0 DGAERO CC(C)(C)[C@H](O)C[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000556122570 434995335 /nfs/dbraw/zinc/99/53/35/434995335.db2.gz GYLRFCCZYNURPQ-OAHLLOKOSA-N 1 0 314.832 3.008 10 0 DGAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000638477473 435040060 /nfs/dbraw/zinc/04/00/60/435040060.db2.gz UUMCLZQDDZPAGA-SECBINFHSA-N 1 0 323.593 3.308 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000465844675 435047520 /nfs/dbraw/zinc/04/75/20/435047520.db2.gz SSTHHFRNYAKXMQ-OWCLPIDISA-N 1 0 321.465 3.493 10 0 DGAERO CCCC[N@H+](C)CCNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000465926260 435051392 /nfs/dbraw/zinc/05/13/92/435051392.db2.gz PHFLQIBOFURRLH-JKSUJKDBSA-N 1 0 321.465 3.494 10 0 DGAERO c1cc(-c2nc(CN3CCC[C@@]4(CCCOC4)C3)no2)cs1 ZINC000530865877 435055528 /nfs/dbraw/zinc/05/55/28/435055528.db2.gz NSWPXSCAJSARLR-MRXNPFEDSA-N 1 0 319.430 3.191 10 0 DGAERO C[C@@H]([NH2+]CCc1ccccc1O)c1ccc2c(c1)CCC(=O)N2 ZINC000532217131 435148214 /nfs/dbraw/zinc/14/82/14/435148214.db2.gz MRMUQEMFDSWDQC-CYBMUJFWSA-N 1 0 310.397 3.170 10 0 DGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncnc2c3ccccc3oc21 ZINC000531559421 435102282 /nfs/dbraw/zinc/10/22/82/435102282.db2.gz OWAUJGDILKOHHO-RISCZKNCSA-N 1 0 308.385 3.271 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cn1 ZINC000531614926 435105651 /nfs/dbraw/zinc/10/56/51/435105651.db2.gz KFYALUKYJSPZGU-AWEZNQCLSA-N 1 0 320.433 3.034 10 0 DGAERO Cc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000531715160 435113885 /nfs/dbraw/zinc/11/38/85/435113885.db2.gz REUYNYAZDRAAAQ-LAUBAEHRSA-N 1 0 323.484 3.433 10 0 DGAERO Fc1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)ccc1-n1cncn1 ZINC000531759785 435115971 /nfs/dbraw/zinc/11/59/71/435115971.db2.gz NTZHVLUNLVHDFL-GFCCVEGCSA-N 1 0 310.323 3.074 10 0 DGAERO COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H](C)OC)o2)cc1 ZINC000467353096 435118795 /nfs/dbraw/zinc/11/87/95/435118795.db2.gz JPJNOGGJWADCNV-STQMWFEESA-N 1 0 317.385 3.246 10 0 DGAERO CC(C)[C@@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[NH+]1CCC(C)CC1 ZINC000468442420 435126571 /nfs/dbraw/zinc/12/65/71/435126571.db2.gz BSVVYEXJKFLPOK-XDNAFOTISA-N 1 0 306.494 3.295 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)NCCCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000532061763 435137667 /nfs/dbraw/zinc/13/76/67/435137667.db2.gz IRRVPZYDGQMVNE-QAPCUYQASA-N 1 0 315.461 3.139 10 0 DGAERO CCN(CC)C(=O)C1([NH2+]CCc2ccccc2)CCCCC1 ZINC000532710582 435187323 /nfs/dbraw/zinc/18/73/23/435187323.db2.gz JMCDILPMHLFMSN-UHFFFAOYSA-N 1 0 302.462 3.390 10 0 DGAERO Cc1cc(C)c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1C ZINC000475618688 435203535 /nfs/dbraw/zinc/20/35/35/435203535.db2.gz OWFLGAYOMKKALT-LJQANCHMSA-N 1 0 303.446 3.382 10 0 DGAERO Cc1cc(C(=O)C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c(C)n1C ZINC000532525117 435174305 /nfs/dbraw/zinc/17/43/05/435174305.db2.gz YILPREZUXXWCPJ-CYBMUJFWSA-N 1 0 314.429 3.093 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ccccc3)C1=O)CC2 ZINC000532538882 435175642 /nfs/dbraw/zinc/17/56/42/435175642.db2.gz VCZJFFYQRPFYHA-MOPGFXCFSA-N 1 0 306.409 3.377 10 0 DGAERO c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)cn2)cc1 ZINC000532647239 435182975 /nfs/dbraw/zinc/18/29/75/435182975.db2.gz NMOFFNVILCLJAG-QZTJIDSGSA-N 1 0 309.413 3.145 10 0 DGAERO COC(=O)[C@](C)(C[NH2+][C@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000580349552 435226386 /nfs/dbraw/zinc/22/63/86/435226386.db2.gz JOASERXXTHFPOI-JENIJYKNSA-N 1 0 301.430 3.286 10 0 DGAERO CC[NH+](CC)CCN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000583615171 435243146 /nfs/dbraw/zinc/24/31/46/435243146.db2.gz NRQAHKUVIDFQRS-HNNXBMFYSA-N 1 0 306.454 3.206 10 0 DGAERO c1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)cn2)cc1 ZINC000533540099 435245649 /nfs/dbraw/zinc/24/56/49/435245649.db2.gz FKRVRKWDXNOKJB-RBUKOAKNSA-N 1 0 323.440 3.392 10 0 DGAERO c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)cn2)cc1 ZINC000533540100 435246313 /nfs/dbraw/zinc/24/63/13/435246313.db2.gz FKRVRKWDXNOKJB-RTBURBONSA-N 1 0 323.440 3.392 10 0 DGAERO COc1ccc(OC2CC[NH+](Cc3ccncc3C)CC2)cc1 ZINC000584033941 435267978 /nfs/dbraw/zinc/26/79/78/435267978.db2.gz PHYIAHSBTMGEIH-UHFFFAOYSA-N 1 0 312.413 3.442 10 0 DGAERO CCCOc1c(C[N@H+](C)C2CCOCC2)cccc1OCC ZINC000534344719 435283284 /nfs/dbraw/zinc/28/32/84/435283284.db2.gz JLJKFQUNXVCGOP-UHFFFAOYSA-N 1 0 307.434 3.485 10 0 DGAERO C[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)C1CC1 ZINC000478591960 435304819 /nfs/dbraw/zinc/30/48/19/435304819.db2.gz IQZWCQJVVQGWJN-CVEARBPZSA-N 1 0 321.509 3.471 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000534912688 435305299 /nfs/dbraw/zinc/30/52/99/435305299.db2.gz IQYVINPILNUQMO-RTBURBONSA-N 1 0 314.473 3.188 10 0 DGAERO c1cn(CCCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000535087450 435318548 /nfs/dbraw/zinc/31/85/48/435318548.db2.gz HEHRAGJUJUVRCS-MJGOQNOKSA-N 1 0 313.445 3.421 10 0 DGAERO Brc1ccc([C@@H]([NH2+]Cc2cc[nH]n2)C2CC2)cc1 ZINC000537000041 435420407 /nfs/dbraw/zinc/42/04/07/435420407.db2.gz KZTULOYVKPWFRD-AWEZNQCLSA-N 1 0 306.207 3.413 10 0 DGAERO CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ccc3nc(C)ccc3c2)C1 ZINC000643772507 435367928 /nfs/dbraw/zinc/36/79/28/435367928.db2.gz DRWVVPCILOYPRE-AEFFLSMTSA-N 1 0 322.412 3.228 10 0 DGAERO c1ccc2c(c1)CCCN2CC[NH+]1CCC(OCC2CC2)CC1 ZINC000536378149 435378340 /nfs/dbraw/zinc/37/83/40/435378340.db2.gz KFKQRUWISLLSBP-UHFFFAOYSA-N 1 0 314.473 3.330 10 0 DGAERO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480708079 435391280 /nfs/dbraw/zinc/39/12/80/435391280.db2.gz RNTUAXHCGFOAOD-SJLPKXTDSA-N 1 0 317.477 3.367 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC000513524031 435392818 /nfs/dbraw/zinc/39/28/18/435392818.db2.gz DNOFSEAWOQAMJB-OIQJVACTSA-N 1 0 306.837 3.342 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000537527066 435447156 /nfs/dbraw/zinc/44/71/56/435447156.db2.gz JQDYIHNKOOYGDH-FQEVSTJZSA-N 1 0 314.473 3.330 10 0 DGAERO CC(C)c1nn(C)cc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482086124 435450694 /nfs/dbraw/zinc/45/06/94/435450694.db2.gz CUBBFIKNVBTOHB-DOTOQJQBSA-N 1 0 312.461 3.476 10 0 DGAERO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCC2CC2)c(OC)c1 ZINC000537970334 435478410 /nfs/dbraw/zinc/47/84/10/435478410.db2.gz QFPIQIPBRJLIHV-CYBMUJFWSA-N 1 0 320.433 3.201 10 0 DGAERO Cc1ccc(CC[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)cn1 ZINC000537191133 435431421 /nfs/dbraw/zinc/43/14/21/435431421.db2.gz POZYMSDRGJNSDR-IBGZPJMESA-N 1 0 324.403 3.184 10 0 DGAERO C[C@@H](NCc1cc(Cl)ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000569223330 435513781 /nfs/dbraw/zinc/51/37/81/435513781.db2.gz WABOBOBIQYSDPP-NXEZZACHSA-N 1 0 317.658 3.190 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000483619371 435524364 /nfs/dbraw/zinc/52/43/64/435524364.db2.gz FRMMVUMUSRLFOF-CQSZACIVSA-N 1 0 303.377 3.473 10 0 DGAERO C[C@H](C[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000194384390 298789936 /nfs/dbraw/zinc/78/99/36/298789936.db2.gz GKRVEOQIFAPQJI-VQIMIIECSA-N 1 0 310.441 3.079 10 0 DGAERO Cn1ccc([C@H]([NH2+]CCc2ccccc2)c2ccc(F)cc2)n1 ZINC000539369959 435549257 /nfs/dbraw/zinc/54/92/57/435549257.db2.gz MZIFMIOZARPTLQ-LJQANCHMSA-N 1 0 309.388 3.481 10 0 DGAERO CC(C)[C@H](SCc1ccccc1)C(=O)N(C)CCC[NH+](C)C ZINC000539418098 435552432 /nfs/dbraw/zinc/55/24/32/435552432.db2.gz QNIWCEBJABDAER-KRWDZBQOSA-N 1 0 322.518 3.355 10 0 DGAERO COc1ccccc1CCCN1CCC[C@H]1C(=O)OC(C)C ZINC000540943742 435627761 /nfs/dbraw/zinc/62/77/61/435627761.db2.gz HRUIIWJJWIYZGK-INIZCTEOSA-N 1 0 305.418 3.044 10 0 DGAERO CC[N@H+](CC(=O)N[C@H](C)C(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000518252799 435630370 /nfs/dbraw/zinc/63/03/70/435630370.db2.gz GGNMPQDWUXJHMC-HZPDHXFCSA-N 1 0 320.477 3.109 10 0 DGAERO C[C@H](Sc1ccccc1Cl)C(=O)N(C)CCC[NH+](C)C ZINC000540518024 435605034 /nfs/dbraw/zinc/60/50/34/435605034.db2.gz RIXQYZNCKFLXGD-LBPRGKRZSA-N 1 0 314.882 3.231 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000540517776 435605046 /nfs/dbraw/zinc/60/50/46/435605046.db2.gz XXJWPGZKGNCTEL-UHFFFAOYSA-N 1 0 322.758 3.383 10 0 DGAERO CC(C)(C)C(=O)N1CC[N@H+](CCc2ccccc2)C(C)(C)C1 ZINC000540521200 435606749 /nfs/dbraw/zinc/60/67/49/435606749.db2.gz LRJWIBKWAHEJOQ-UHFFFAOYSA-N 1 0 302.462 3.198 10 0 DGAERO COc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ncn1 ZINC000548117453 435671098 /nfs/dbraw/zinc/67/10/98/435671098.db2.gz LBNVNGAEKVYXCT-LRDDRELGSA-N 1 0 318.446 3.042 10 0 DGAERO COC[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000548064651 435665432 /nfs/dbraw/zinc/66/54/32/435665432.db2.gz UOSYZHPAWIPKDE-SFHVURJKSA-N 1 0 318.461 3.145 10 0 DGAERO Cc1ccc(CC[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000491570029 435774453 /nfs/dbraw/zinc/77/44/53/435774453.db2.gz VKCZXXMFFFJIAE-HNNXBMFYSA-N 1 0 322.449 3.367 10 0 DGAERO Cc1ccc(CC[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000491570030 435775631 /nfs/dbraw/zinc/77/56/31/435775631.db2.gz VKCZXXMFFFJIAE-OAHLLOKOSA-N 1 0 322.449 3.367 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCN2CC=C(C)CC2)c(C)c1OC ZINC000552068192 435878380 /nfs/dbraw/zinc/87/83/80/435878380.db2.gz MUVMHSINKSQFAE-INIZCTEOSA-N 1 0 318.461 3.315 10 0 DGAERO c1ccc(OCCCC[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000552147244 435885472 /nfs/dbraw/zinc/88/54/72/435885472.db2.gz VASZXZBBXQNMGW-MOPGFXCFSA-N 1 0 301.430 3.489 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(C)n2C2CC2)C12CCCCC2 ZINC000572906340 435880486 /nfs/dbraw/zinc/88/04/86/435880486.db2.gz SNWJQQHSSWMVEH-JKSUJKDBSA-N 1 0 318.465 3.139 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnccn1 ZINC000656492293 435960378 /nfs/dbraw/zinc/96/03/78/435960378.db2.gz POWIJYGMQCCCEK-AWEZNQCLSA-N 1 0 304.191 3.016 10 0 DGAERO Brc1cnccc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656608035 435982219 /nfs/dbraw/zinc/98/22/19/435982219.db2.gz GSUUSJQOESZEEV-ZDUSSCGKSA-N 1 0 324.266 3.060 10 0 DGAERO CN1C[C@H](C[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)CC1=O ZINC000657698280 436281796 /nfs/dbraw/zinc/28/17/96/436281796.db2.gz UHQACORVOSUAJN-QMMMGPOBSA-N 1 0 321.635 3.215 10 0 DGAERO Cc1sc2nc(C)nc(N3CC[C@H](C)[C@@H](C[NH3+])C3)c2c1C ZINC000261775493 302881728 /nfs/dbraw/zinc/88/17/28/302881728.db2.gz WJBRVCWGOPVNIU-ZANVPECISA-N 1 0 304.463 3.038 10 0 DGAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CCC[C@H](C3CC3)C2)cn1 ZINC000328655771 302940307 /nfs/dbraw/zinc/94/03/07/302940307.db2.gz YQYYZUCOZFBALW-LEUOFYLZSA-N 1 0 303.450 3.199 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cc2ccccc2s1 ZINC000170957169 312706642 /nfs/dbraw/zinc/70/66/42/312706642.db2.gz UMAGHFPMGKSTAG-TZMCWYRMSA-N 1 0 317.458 3.308 10 0 DGAERO COC(C)(C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000171594564 312725632 /nfs/dbraw/zinc/72/56/32/312725632.db2.gz HAJHDLCILFXNIS-UHFFFAOYSA-N 1 0 304.434 3.282 10 0 DGAERO O=C(N1CCc2ccccc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171671701 312727487 /nfs/dbraw/zinc/72/74/87/312727487.db2.gz LKSNIXTXBIWRMK-KRWDZBQOSA-N 1 0 313.445 3.119 10 0 DGAERO Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H](C(N)=O)C3)o2)cc1 ZINC000172633612 312752316 /nfs/dbraw/zinc/75/23/16/312752316.db2.gz ISWJAYSPEHVIBV-HZPDHXFCSA-N 1 0 312.413 3.389 10 0 DGAERO COc1cc(C)nc(C[NH2+][C@@H](C)CN(C)Cc2ccccc2)c1 ZINC000309688473 533700364 /nfs/dbraw/zinc/70/03/64/533700364.db2.gz CGEKSBUZFBPVCC-INIZCTEOSA-N 1 0 313.445 3.009 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000179245399 312801259 /nfs/dbraw/zinc/80/12/59/312801259.db2.gz NRTJTTPHCHXKTR-INMHGKMJSA-N 1 0 300.446 3.048 10 0 DGAERO O[C@H](C[N@@H+]1CCS[C@H](c2ccccc2)C1)CC(F)(F)F ZINC000376954034 313002291 /nfs/dbraw/zinc/00/22/91/313002291.db2.gz IKYATKUWYKDAKR-STQMWFEESA-N 1 0 305.365 3.090 10 0 DGAERO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(Br)c(F)c1F ZINC000530223614 313342299 /nfs/dbraw/zinc/34/22/99/313342299.db2.gz OCPUFLOLAMVAAG-SCZZXKLOSA-N 1 0 319.193 3.039 10 0 DGAERO c1nn(-c2ccccn2)cc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC000530250539 313348192 /nfs/dbraw/zinc/34/81/92/313348192.db2.gz LABGQPNTQYUVIA-UHFFFAOYSA-N 1 0 304.397 3.401 10 0 DGAERO Cn1cncc1CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000530513381 313379490 /nfs/dbraw/zinc/37/94/90/313379490.db2.gz RSVLXLRMFNNIAL-AWEZNQCLSA-N 1 0 324.350 3.044 10 0 DGAERO O=C(NCCCC1CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000530629487 313390780 /nfs/dbraw/zinc/39/07/80/313390780.db2.gz BIWGWKNZIVBTFK-UHFFFAOYSA-N 1 0 307.482 3.273 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000537215402 313802570 /nfs/dbraw/zinc/80/25/70/313802570.db2.gz DTUHQVPJYNQNNA-RTBURBONSA-N 1 0 310.441 3.353 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000539416749 313911915 /nfs/dbraw/zinc/91/19/15/313911915.db2.gz SLCDHXDARFTVDX-UHFFFAOYSA-N 1 0 315.461 3.489 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc3c(s2)CCCC3)C1 ZINC000540156099 313949525 /nfs/dbraw/zinc/94/95/25/313949525.db2.gz FWTQDWVPAPJZEG-OCCSQVGLSA-N 1 0 321.490 3.081 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000540157335 313949927 /nfs/dbraw/zinc/94/99/27/313949927.db2.gz GHGHUTSDVXQXTE-WMLDXEAASA-N 1 0 317.477 3.439 10 0 DGAERO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000540162664 313950077 /nfs/dbraw/zinc/95/00/77/313950077.db2.gz CHAQSQWHDKRNJW-KGLIPLIRSA-N 1 0 302.409 3.335 10 0 DGAERO Cc1ccc(CNC(=O)C[N@H+](C)C[C@H]2CC=CCC2)cc1F ZINC000541318518 314006987 /nfs/dbraw/zinc/00/69/87/314006987.db2.gz BGNALRWUOICWCD-HNNXBMFYSA-N 1 0 304.409 3.038 10 0 DGAERO Cc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CC=CCC2)c(C)c1 ZINC000541320241 314008215 /nfs/dbraw/zinc/00/82/15/314008215.db2.gz IFAWIWHCFNFEMH-QZTJIDSGSA-N 1 0 303.446 3.331 10 0 DGAERO C[C@H](CNC(=O)N(C)C[C@H]1CC=CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000541339071 314009939 /nfs/dbraw/zinc/00/99/39/314009939.db2.gz XGJVQPKQGHDSRT-ZACQAIPSSA-N 1 0 307.482 3.105 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000541482163 314016900 /nfs/dbraw/zinc/01/69/00/314016900.db2.gz JCPREFIKIZKLOI-CVEARBPZSA-N 1 0 309.498 3.351 10 0 DGAERO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000542249304 314064528 /nfs/dbraw/zinc/06/45/28/314064528.db2.gz KRBGLMGVQPZBNB-QZTJIDSGSA-N 1 0 303.446 3.331 10 0 DGAERO C[C@@H](CNC(=O)N(C)C[C@H]1CC=CCC1)C[NH+]1CCCCC1 ZINC000542271443 314066697 /nfs/dbraw/zinc/06/66/97/314066697.db2.gz DTMLIJJUANUEFU-IRXDYDNUSA-N 1 0 307.482 3.106 10 0 DGAERO CCOC(=O)COc1ccc(C[N@H+](C)C[C@H]2CC=CCC2)cc1 ZINC000542482241 314078569 /nfs/dbraw/zinc/07/85/69/314078569.db2.gz BNMACWCHHCEGSG-INIZCTEOSA-N 1 0 317.429 3.417 10 0 DGAERO COC[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)cc1 ZINC000542542269 314083969 /nfs/dbraw/zinc/08/39/69/314083969.db2.gz SAJJCOWQJLSCLE-OALUTQOASA-N 1 0 317.404 3.097 10 0 DGAERO Cn1ccc([C@H]([NH2+]C[C@@]2(C)CCOC2)c2ccc(Cl)cc2)n1 ZINC000542663206 314089704 /nfs/dbraw/zinc/08/97/04/314089704.db2.gz ASNVRWOEONOMIM-IAGOWNOFSA-N 1 0 319.836 3.179 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)NCC[C@H](C)c2ccccc2)CC1 ZINC000542665608 314089899 /nfs/dbraw/zinc/08/98/99/314089899.db2.gz HNXZZCRJGUBMPF-KRWDZBQOSA-N 1 0 315.461 3.131 10 0 DGAERO C(=C\[C@H]1CCCCC[N@H+]1CCN1CCOCC1)\c1cccs1 ZINC000543060260 314111883 /nfs/dbraw/zinc/11/18/83/314111883.db2.gz DOFGMKJWDYBRSL-ZPUOCTKUSA-N 1 0 320.502 3.338 10 0 DGAERO CCOc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H]2CC=CCC2)cc1 ZINC000543175949 314118709 /nfs/dbraw/zinc/11/87/09/314118709.db2.gz WUNAZCZYKNKCKM-IAGOWNOFSA-N 1 0 319.445 3.113 10 0 DGAERO C[C@@H](CNC(=O)N(C)C[C@@H]1CC=CCC1)[N@@H+]1CCCC[C@H]1C ZINC000543352126 314128510 /nfs/dbraw/zinc/12/85/10/314128510.db2.gz PQQLLPFKCZEPBB-IXDOHACOSA-N 1 0 307.482 3.247 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000543591178 314143549 /nfs/dbraw/zinc/14/35/49/314143549.db2.gz FIAWWZRULKGCQM-XYVMCAHJSA-N 1 0 321.486 3.326 10 0 DGAERO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@@H]1CC=CCC1 ZINC000544110676 314173607 /nfs/dbraw/zinc/17/36/07/314173607.db2.gz FIEAOFDFEMRJSO-SQNIBIBYSA-N 1 0 304.478 3.456 10 0 DGAERO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@H]1CC=CCC1 ZINC000544110673 314174113 /nfs/dbraw/zinc/17/41/13/314174113.db2.gz FIEAOFDFEMRJSO-BZSNNMDCSA-N 1 0 304.478 3.456 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000545152613 314228534 /nfs/dbraw/zinc/22/85/34/314228534.db2.gz MBMSKFANLVDUMI-UHFFFAOYSA-N 1 0 321.852 3.133 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000545152379 314228774 /nfs/dbraw/zinc/22/87/74/314228774.db2.gz CCQGVQJMIRBKKW-HNNXBMFYSA-N 1 0 319.424 3.180 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H]2c2ccccc2)CC1 ZINC000546565108 314311105 /nfs/dbraw/zinc/31/11/05/314311105.db2.gz AAKCGROHTNMQNV-GOSISDBHSA-N 1 0 313.445 3.185 10 0 DGAERO CCCc1ccccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000546576729 314311726 /nfs/dbraw/zinc/31/17/26/314311726.db2.gz FPAGMGYZOAVMFJ-UHFFFAOYSA-N 1 0 301.434 3.413 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000547283748 314353087 /nfs/dbraw/zinc/35/30/87/314353087.db2.gz NFURUVNGJZZKSB-IAGOWNOFSA-N 1 0 318.848 3.212 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NCC2CC(C)(C)C2)CC1 ZINC000547718954 314388633 /nfs/dbraw/zinc/38/86/33/314388633.db2.gz UEUHAZJRDKAIMC-UHFFFAOYSA-N 1 0 309.498 3.186 10 0 DGAERO NC(=O)C[C@@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)c1cccc(Cl)c1 ZINC000549378056 314505816 /nfs/dbraw/zinc/50/58/16/314505816.db2.gz SOHWIHMPZIEXQA-BZUAXINKSA-N 1 0 306.837 3.425 10 0 DGAERO CCCCc1noc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000555415421 314722692 /nfs/dbraw/zinc/72/26/92/314722692.db2.gz USGRSYSUZKCWCI-UGQVUOCMSA-N 1 0 319.449 3.411 10 0 DGAERO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCOCC1CCC1 ZINC000562280566 315005589 /nfs/dbraw/zinc/00/55/89/315005589.db2.gz AJJOSLDLBNQGSY-CYBMUJFWSA-N 1 0 324.852 3.463 10 0 DGAERO COC[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)C1CCCC1 ZINC000562488361 315023678 /nfs/dbraw/zinc/02/36/78/315023678.db2.gz WSLOZFGFMGLUHM-HZPDHXFCSA-N 1 0 305.418 3.011 10 0 DGAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCOCC1CCC1 ZINC000562579812 315032577 /nfs/dbraw/zinc/03/25/77/315032577.db2.gz QGCHYPIXDUCIER-CQSZACIVSA-N 1 0 305.418 3.143 10 0 DGAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000563439603 315115993 /nfs/dbraw/zinc/11/59/93/315115993.db2.gz GRMLREVWKZZOFI-ZNMIVQPWSA-N 1 0 301.496 3.291 10 0 DGAERO C[C@@]1(C(=O)NCc2c(Cl)cccc2Cl)CCCC[NH2+]1 ZINC000564211978 315162538 /nfs/dbraw/zinc/16/25/38/315162538.db2.gz OOVLKAAELWZNPA-AWEZNQCLSA-N 1 0 301.217 3.142 10 0 DGAERO c1cc(OCC2CC2)ccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973847 315216306 /nfs/dbraw/zinc/21/63/06/315216306.db2.gz YFWSRPDZFQRPHT-LJQANCHMSA-N 1 0 300.446 3.051 10 0 DGAERO c1ccc2c(c1)O[C@@H](C[NH2+]Cc1ccc3c(n1)CCC3)CS2 ZINC000564990902 315218347 /nfs/dbraw/zinc/21/83/47/315218347.db2.gz OXICTJYWCXSSQQ-HNNXBMFYSA-N 1 0 312.438 3.213 10 0 DGAERO Cn1cnc2cc(C[NH+]3CCC(C4CCOCC4)CC3)ccc21 ZINC000565264177 315248248 /nfs/dbraw/zinc/24/82/48/315248248.db2.gz XUYCWDSGQRPTMM-UHFFFAOYSA-N 1 0 313.445 3.212 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+](CC(N)=O)C(C)C ZINC000566882441 315380855 /nfs/dbraw/zinc/38/08/55/315380855.db2.gz QVQJGQMSZVWWIJ-KPKJPENVSA-N 1 0 314.351 3.304 10 0 DGAERO Cc1cccnc1CC[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000566984926 315389207 /nfs/dbraw/zinc/38/92/07/315389207.db2.gz WXKCREFHWQHHAN-LBPRGKRZSA-N 1 0 320.234 3.441 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000568072333 315478058 /nfs/dbraw/zinc/47/80/58/315478058.db2.gz LWWIHGIETNADFA-OAHLLOKOSA-N 1 0 314.458 3.095 10 0 DGAERO C[C@@H]([NH2+]CCOC(C)(C)C)c1cncc(Br)c1 ZINC000574465344 315969815 /nfs/dbraw/zinc/96/98/15/315969815.db2.gz KVPQRYKDHLGIMI-SNVBAGLBSA-N 1 0 301.228 3.310 10 0 DGAERO O[C@H](C[NH+]1CCC(OCC2CCCCC2)CC1)CC(F)(F)F ZINC000574571074 315979092 /nfs/dbraw/zinc/97/90/92/315979092.db2.gz WMKVCPVOVLYWPC-AWEZNQCLSA-N 1 0 323.399 3.361 10 0 DGAERO c1csc(-c2nc(CN3CC[C@]4(C3)CCC[NH2+]C4)cs2)c1 ZINC000577751984 316268308 /nfs/dbraw/zinc/26/83/08/316268308.db2.gz YFSZFZUMBOHYJA-MRXNPFEDSA-N 1 0 319.499 3.447 10 0 DGAERO O=C(C[NH2+][C@@H]1CCCC12CC2)Nc1ccc(Br)cc1 ZINC000578027263 316296722 /nfs/dbraw/zinc/29/67/22/316296722.db2.gz VBXUPBOXFGGRQU-CYBMUJFWSA-N 1 0 323.234 3.310 10 0 DGAERO CC(C)(C)C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000040492829 323210001 /nfs/dbraw/zinc/21/00/01/323210001.db2.gz NKBNCFVITSKLJN-UHFFFAOYSA-N 1 0 300.196 3.314 10 0 DGAERO CCC[C@H](C[NH+]1CCN(c2cccnn2)CC1)c1ccccc1 ZINC000179972890 323218395 /nfs/dbraw/zinc/21/83/95/323218395.db2.gz MWWNVDRMIPQFQA-GOSISDBHSA-N 1 0 310.445 3.183 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C(C)(C)C ZINC000180091554 323220727 /nfs/dbraw/zinc/22/07/27/323220727.db2.gz BRYGQLOVVYLVDL-CJNGLKHVSA-N 1 0 311.491 3.353 10 0 DGAERO Cc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000180098492 323221420 /nfs/dbraw/zinc/22/14/20/323221420.db2.gz MEZWRRDLKKLXDB-TZIWHRDSSA-N 1 0 322.452 3.489 10 0 DGAERO C[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CN1CCOCC1 ZINC000180125799 323222170 /nfs/dbraw/zinc/22/21/70/323222170.db2.gz JMYPQRCKYAYGPV-RDTXWAMCSA-N 1 0 322.880 3.349 10 0 DGAERO CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180181950 323223112 /nfs/dbraw/zinc/22/31/12/323223112.db2.gz RNGVLSMMDJMWIR-RTBURBONSA-N 1 0 308.425 3.424 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(N(C)C)c1C ZINC000180188850 323223188 /nfs/dbraw/zinc/22/31/88/323223188.db2.gz MWIZMMBKAKIBKY-OAHLLOKOSA-N 1 0 318.465 3.009 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)CCN1C ZINC000180424545 323229047 /nfs/dbraw/zinc/22/90/47/323229047.db2.gz HDLXIQXGOPXOAA-CRAIPNDOSA-N 1 0 312.461 3.002 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(-c2ccccc2)c1 ZINC000180499917 323231408 /nfs/dbraw/zinc/23/14/08/323231408.db2.gz ZRAPYRGINAEMIQ-JXFKEZNVSA-N 1 0 310.441 3.335 10 0 DGAERO CCC[C@@H](C)C[NH+]1CCN(CCOc2cccc(OC)c2)CC1 ZINC000180535772 323232143 /nfs/dbraw/zinc/23/21/43/323232143.db2.gz PKMMAPGYZJNSOA-QGZVFWFLSA-N 1 0 320.477 3.128 10 0 DGAERO c1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000180592715 323233390 /nfs/dbraw/zinc/23/33/90/323233390.db2.gz ACQYATCRQBVIMN-RTBURBONSA-N 1 0 324.472 3.374 10 0 DGAERO CCCc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(CC)nn3C2)cc1 ZINC000180612012 323233832 /nfs/dbraw/zinc/23/38/32/323233832.db2.gz APWANWQIIWRDQM-YOEHRIQHSA-N 1 0 312.461 3.459 10 0 DGAERO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(CC)nn3C2)cc1 ZINC000180611966 323234053 /nfs/dbraw/zinc/23/40/53/323234053.db2.gz APWANWQIIWRDQM-WMLDXEAASA-N 1 0 312.461 3.459 10 0 DGAERO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)c1ccoc1 ZINC000180663423 323235366 /nfs/dbraw/zinc/23/53/66/323235366.db2.gz QTKSLQFVXOUMAR-YCPHGPKFSA-N 1 0 320.458 3.454 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181225953 323249733 /nfs/dbraw/zinc/24/97/33/323249733.db2.gz LCNBNJGKWCNMDI-WBVHZDCISA-N 1 0 318.461 3.049 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(F)c(Cl)c2F)CC[N@@H+]1C ZINC000181233170 323249812 /nfs/dbraw/zinc/24/98/12/323249812.db2.gz JHZCCFARLZBSHV-VHSXEESVSA-N 1 0 316.779 3.173 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(CC)CC ZINC000181466638 323255827 /nfs/dbraw/zinc/25/58/27/323255827.db2.gz BGUZQLLOFSKZJX-IRXDYDNUSA-N 1 0 324.509 3.207 10 0 DGAERO CC(C)CO[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C1(C)C ZINC000181566187 323259490 /nfs/dbraw/zinc/25/94/90/323259490.db2.gz WRGFRQPXZLGWBB-SJORKVTESA-N 1 0 309.425 3.247 10 0 DGAERO CC1(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CCCCCC1 ZINC000181718625 323265848 /nfs/dbraw/zinc/26/58/48/323265848.db2.gz QZPGJTJTAJUIOP-MRXNPFEDSA-N 1 0 305.466 3.003 10 0 DGAERO CCC1(CC)[C@H]([NH2+][C@@H](C)Cc2c(C)nn(C)c2C)C[C@H]1OC ZINC000181819840 323271172 /nfs/dbraw/zinc/27/11/72/323271172.db2.gz IKUSTFYNAALZBM-JCURWCKSSA-N 1 0 307.482 3.151 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)CC(C)C)cc1F ZINC000182008515 323279827 /nfs/dbraw/zinc/27/98/27/323279827.db2.gz PLEICTWMYKQVRZ-ZIAGYGMSSA-N 1 0 324.440 3.378 10 0 DGAERO C[C@@H](C[NH2+]CCCOCC1CCOCC1)Cc1ccccc1 ZINC000182065264 323281836 /nfs/dbraw/zinc/28/18/36/323281836.db2.gz GIRGGIMKAQDKNO-QGZVFWFLSA-N 1 0 305.462 3.288 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)o1 ZINC000182212654 323287025 /nfs/dbraw/zinc/28/70/25/323287025.db2.gz IYBWRZHHMDJKQB-AWEZNQCLSA-N 1 0 323.820 3.422 10 0 DGAERO CCNC(=O)C(C)(C)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182203852 323287171 /nfs/dbraw/zinc/28/71/71/323287171.db2.gz NEEDCGDBEWBKOJ-OAHLLOKOSA-N 1 0 312.404 3.414 10 0 DGAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000182258293 323289357 /nfs/dbraw/zinc/28/93/57/323289357.db2.gz JMEYCJSUMDFFDF-ZDUSSCGKSA-N 1 0 312.369 3.013 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C)cc1)c1c(C)noc1C ZINC000182472597 323300774 /nfs/dbraw/zinc/30/07/74/323300774.db2.gz JZCFPVODTREJMP-DOTOQJQBSA-N 1 0 318.417 3.080 10 0 DGAERO CCc1ccc(NC(=O)NCC2CC[NH+](C)CC2)cc1CC ZINC000182732839 323310811 /nfs/dbraw/zinc/31/08/11/323310811.db2.gz LMLFUYYIAONKSS-UHFFFAOYSA-N 1 0 303.450 3.275 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000183004641 323319300 /nfs/dbraw/zinc/31/93/00/323319300.db2.gz HGBPLJYDUCFCII-MOKVOYLWSA-N 1 0 320.399 3.203 10 0 DGAERO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000183054332 323323110 /nfs/dbraw/zinc/32/31/10/323323110.db2.gz VHGFOIAVFIKFHE-JKSUJKDBSA-N 1 0 302.466 3.204 10 0 DGAERO Cn1c(SCc2cnc3ccccn23)nnc1-c1ccco1 ZINC000183137012 323326668 /nfs/dbraw/zinc/32/66/68/323326668.db2.gz AQOSALWRNBPEPE-UHFFFAOYSA-N 1 0 311.370 3.015 10 0 DGAERO CCOc1c(F)cccc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183122967 323327043 /nfs/dbraw/zinc/32/70/43/323327043.db2.gz RBAIXUAKTCMTMK-AWEZNQCLSA-N 1 0 322.424 3.219 10 0 DGAERO COc1c(C[N@@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)c(C)nn1C ZINC000183213248 323330167 /nfs/dbraw/zinc/33/01/67/323330167.db2.gz SITJTHIGQFREEN-MRXNPFEDSA-N 1 0 313.445 3.343 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000183389933 323336323 /nfs/dbraw/zinc/33/63/23/323336323.db2.gz ULZAZLRYABUAFN-GOSISDBHSA-N 1 0 324.424 3.245 10 0 DGAERO COc1cccc([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c1 ZINC000183489358 323339875 /nfs/dbraw/zinc/33/98/75/323339875.db2.gz HHIISBRFZGSROX-CYBMUJFWSA-N 1 0 301.434 3.329 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+]CCCc1c(C)nn(C)c1C)CCC2 ZINC000183486288 323340046 /nfs/dbraw/zinc/34/00/46/323340046.db2.gz ZNVCFVNQHWIOGI-OAHLLOKOSA-N 1 0 318.490 3.402 10 0 DGAERO CSCCCC[NH2+][C@@H](CN1CCOCC1)c1ccccc1C ZINC000183618570 323343453 /nfs/dbraw/zinc/34/34/53/323343453.db2.gz RCJIHUATECVMGA-SFHVURJKSA-N 1 0 322.518 3.101 10 0 DGAERO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)COC(C)(C)C ZINC000183646932 323344513 /nfs/dbraw/zinc/34/45/13/323344513.db2.gz SIDBGZUPMLJXFQ-DLBZAZTESA-N 1 0 311.441 3.158 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000183733502 323346537 /nfs/dbraw/zinc/34/65/37/323346537.db2.gz VCRWEIVXWORRFH-SZMVWBNQSA-N 1 0 321.509 3.329 10 0 DGAERO CCOc1cccc2cc([C@H](C)[NH2+]CCCn3ccnn3)oc21 ZINC000184277395 323360878 /nfs/dbraw/zinc/36/08/78/323360878.db2.gz RYORXZPBUQYIJF-ZDUSSCGKSA-N 1 0 314.389 3.164 10 0 DGAERO CCCc1c(NCc2nccn2C)cnn1-c1cccc(F)c1 ZINC000184292072 323361604 /nfs/dbraw/zinc/36/16/04/323361604.db2.gz QPXFAIQQKFPBAX-UHFFFAOYSA-N 1 0 313.380 3.310 10 0 DGAERO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000184548917 323367819 /nfs/dbraw/zinc/36/78/19/323367819.db2.gz RIEPGGLWYXFQAX-GDBMZVCRSA-N 1 0 317.404 3.479 10 0 DGAERO CC[C@H](NCC(=O)Nc1cc(C)ccc1C)c1nccs1 ZINC000185042704 323379580 /nfs/dbraw/zinc/37/95/80/323379580.db2.gz JOBZGUPSYVGBCD-ZDUSSCGKSA-N 1 0 303.431 3.439 10 0 DGAERO CN(Cc1ccc(F)cc1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185161899 323383010 /nfs/dbraw/zinc/38/30/10/323383010.db2.gz JMHXUMMTLNTFRQ-UHFFFAOYSA-N 1 0 321.440 3.089 10 0 DGAERO C[C@@H](NCc1cn2ccsc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738698 323393791 /nfs/dbraw/zinc/39/37/91/323393791.db2.gz KUGXNNNCGDUTOR-KGLIPLIRSA-N 1 0 318.490 3.138 10 0 DGAERO CCC[C@H]1CCCCN1C(=O)NCC1CC[NH+](CCC)CC1 ZINC000185834255 323396573 /nfs/dbraw/zinc/39/65/73/323396573.db2.gz HQGCLMKSPDTIRK-KRWDZBQOSA-N 1 0 309.498 3.473 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000188157502 323424064 /nfs/dbraw/zinc/42/40/64/323424064.db2.gz ORPYJQCDWQFNQY-LBPRGKRZSA-N 1 0 305.340 3.138 10 0 DGAERO Cn1c2ccc(C[NH2+]C[C@@H]3CCc4ccccc43)cc2sc1=O ZINC000192577992 323455121 /nfs/dbraw/zinc/45/51/21/323455121.db2.gz RGRNHLRYASVJBY-HNNXBMFYSA-N 1 0 324.449 3.420 10 0 DGAERO CSCCC(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000195451850 323490512 /nfs/dbraw/zinc/49/05/12/323490512.db2.gz SUNACQLTXAENAA-UHFFFAOYSA-N 1 0 324.515 3.235 10 0 DGAERO c1nc(C2CC2)sc1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351069825 323538933 /nfs/dbraw/zinc/53/89/33/323538933.db2.gz BLVLVJUYGXDTAV-UHFFFAOYSA-N 1 0 309.354 3.385 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000385044539 323630441 /nfs/dbraw/zinc/63/04/41/323630441.db2.gz ZOYZHVZZEDJZTN-GPCCPHFNSA-N 1 0 314.223 3.113 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000389787055 323663356 /nfs/dbraw/zinc/66/33/56/323663356.db2.gz IWQSTZIJMLLSQT-QPUJVOFHSA-N 1 0 302.205 3.113 10 0 DGAERO Cc1nc(-c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)cs1 ZINC000580393019 323991247 /nfs/dbraw/zinc/99/12/47/323991247.db2.gz WOOOWFCVFSRBCL-UHFFFAOYSA-N 1 0 317.458 3.142 10 0 DGAERO C[C@H](F)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000580435693 323997653 /nfs/dbraw/zinc/99/76/53/323997653.db2.gz HVXCTVFUDQCZAR-ONGXEEELSA-N 1 0 310.196 3.071 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)s1 ZINC000580493410 324003601 /nfs/dbraw/zinc/00/36/01/324003601.db2.gz IQOBVMMCFRNEHV-CYBMUJFWSA-N 1 0 315.504 3.103 10 0 DGAERO CCn1c(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)nc2ccccc21 ZINC000580590012 324017303 /nfs/dbraw/zinc/01/73/03/324017303.db2.gz SQOALVMTKWXZDF-AWEZNQCLSA-N 1 0 322.412 3.324 10 0 DGAERO c1cc(CC[NH+]2CCC(C3CCOCC3)CC2)cc2c1OCC2 ZINC000580753303 324034995 /nfs/dbraw/zinc/03/49/95/324034995.db2.gz OWHCGTWBXXYMCQ-UHFFFAOYSA-N 1 0 315.457 3.303 10 0 DGAERO c1c(CN2CCO[C@@]3(CCSC3)C2)noc1-c1ccccc1 ZINC000580771335 324036675 /nfs/dbraw/zinc/03/66/75/324036675.db2.gz GYYGZEDRTPNEAU-KRWDZBQOSA-N 1 0 316.426 3.050 10 0 DGAERO CC(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000580813336 324041320 /nfs/dbraw/zinc/04/13/20/324041320.db2.gz GZIDYLVCANTAIM-UHFFFAOYSA-N 1 0 312.369 3.330 10 0 DGAERO c1nc(-c2ccccc2)sc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581251394 324095747 /nfs/dbraw/zinc/09/57/47/324095747.db2.gz PNRYMVGEGGTHRX-SFHVURJKSA-N 1 0 313.470 3.386 10 0 DGAERO c1ccc2c(c1)CC(C[NH2+][C@H]1CCOC3(CCSCC3)C1)C2 ZINC000583056240 324306635 /nfs/dbraw/zinc/30/66/35/324306635.db2.gz FQXOXGKLGFYHRR-SFHVURJKSA-N 1 0 317.498 3.436 10 0 DGAERO O=S1(=O)CCC[C@@H](C[NH2+]C2(c3ccccc3)CCCCC2)C1 ZINC000583708095 324388409 /nfs/dbraw/zinc/38/84/09/324388409.db2.gz DDKAYPWFLUCYLQ-INIZCTEOSA-N 1 0 321.486 3.260 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000156405154 500586723 /nfs/dbraw/zinc/58/67/23/500586723.db2.gz CHMDJYNCSWGRAI-BAZKHKGQSA-N 1 0 300.446 3.265 10 0 DGAERO COc1cccc([C@@H]2[C@H](Nc3cc(C)ncn3)CC[N@@H+]2C2CC2)c1 ZINC000302018743 533760604 /nfs/dbraw/zinc/76/06/04/533760604.db2.gz CWMRXGJZTYVFLB-IEBWSBKVSA-N 1 0 324.428 3.184 10 0 DGAERO COc1cc(C[N@H+](C)CC2(O)CCC(C)CC2)cc(OC)c1 ZINC000434717011 533781584 /nfs/dbraw/zinc/78/15/84/533781584.db2.gz IFOFPBQHUICEKL-UHFFFAOYSA-N 1 0 307.434 3.077 10 0 DGAERO CSCc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1F ZINC000177223176 533833679 /nfs/dbraw/zinc/83/36/79/533833679.db2.gz VVANHYHPRIQJJJ-SMDDNHRTSA-N 1 0 322.449 3.044 10 0 DGAERO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc([S@](C)=O)cc1 ZINC000181496595 518178263 /nfs/dbraw/zinc/17/82/63/518178263.db2.gz IMTQPLQFYKMEBQ-SZNDQCEHSA-N 1 0 302.443 3.102 10 0 DGAERO C(c1noc(C2CCCCC2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000156186795 518406977 /nfs/dbraw/zinc/40/69/77/518406977.db2.gz WRPFZNFJHUFBLX-UHFFFAOYSA-N 1 0 318.465 3.178 10 0 DGAERO CC(C)(NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000153888985 519314356 /nfs/dbraw/zinc/31/43/56/519314356.db2.gz TUCZQLHGMAJLQG-ONGXEEELSA-N 1 0 315.244 3.472 10 0 DGAERO CC(C)=C(F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000154368896 519390832 /nfs/dbraw/zinc/39/08/32/519390832.db2.gz NORPTEKQJQEBMK-ZBFHGGJFSA-N 1 0 304.409 3.419 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(OC2CCCC2)CC1 ZINC000156076498 519674229 /nfs/dbraw/zinc/67/42/29/519674229.db2.gz YLSRKRDVUGJAJD-GOSISDBHSA-N 1 0 322.493 3.200 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cccc(COC)c2)CC1 ZINC000157752110 519842996 /nfs/dbraw/zinc/84/29/96/519842996.db2.gz NZXNARUAYWEXRX-UHFFFAOYSA-N 1 0 319.449 3.077 10 0 DGAERO Fc1ccc(Cn2cc(C[NH2+]CCc3ccsc3)cn2)cc1 ZINC000189020213 534479427 /nfs/dbraw/zinc/47/94/27/534479427.db2.gz SCTXWPNMHPWJRV-UHFFFAOYSA-N 1 0 315.417 3.464 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000156377582 521916246 /nfs/dbraw/zinc/91/62/46/521916246.db2.gz OGXAYCDBPMKBOY-RTBURBONSA-N 1 0 308.425 3.282 10 0 DGAERO Cc1cnc([C@@H](C)NC2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000323384339 534619942 /nfs/dbraw/zinc/61/99/42/534619942.db2.gz HFYBSNSECJIZOI-MRXNPFEDSA-N 1 0 313.445 3.341 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+]C[C@H](C)c1cccc(Cl)c1)CC2 ZINC000153989245 522532311 /nfs/dbraw/zinc/53/23/11/522532311.db2.gz HEWWCEWMWNSULT-SWLSCSKDSA-N 1 0 318.852 3.202 10 0 DGAERO CCn1nc(C)c([C@H](C)[NH2+]CCOCc2ccccc2)c1C ZINC000156976744 523662565 /nfs/dbraw/zinc/66/25/65/523662565.db2.gz KCQPZQYPKAZKHZ-AWEZNQCLSA-N 1 0 301.434 3.387 10 0 DGAERO CCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(C)cc2)n1 ZINC000070455985 523821485 /nfs/dbraw/zinc/82/14/85/523821485.db2.gz WVVIIYQRFVGLHU-UHFFFAOYSA-N 1 0 310.445 3.426 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000163308222 523829828 /nfs/dbraw/zinc/82/98/28/523829828.db2.gz SKBPLXPAQPZATM-VXGBXAGGSA-N 1 0 302.871 3.163 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000163406184 523829884 /nfs/dbraw/zinc/82/98/84/523829884.db2.gz BFTXYZOZJXBYLM-FUHWJXTLSA-N 1 0 320.477 3.235 10 0 DGAERO Cc1ccc(CC(=O)N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000154642234 524252978 /nfs/dbraw/zinc/25/29/78/524252978.db2.gz QJLOWLNZXDBZKU-UHFFFAOYSA-N 1 0 306.475 3.076 10 0 DGAERO Cc1cccc(CCC[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000181091141 524349424 /nfs/dbraw/zinc/34/94/24/524349424.db2.gz HZLPQTBNNGBDTF-UHFFFAOYSA-N 1 0 310.445 3.294 10 0 DGAERO Cc1cc(C)cc(OCCC[NH+]2CCC(n3cncn3)CC2)c1 ZINC000157768131 524442313 /nfs/dbraw/zinc/44/23/13/524442313.db2.gz RRIQAIZEYBLFCG-UHFFFAOYSA-N 1 0 314.433 3.001 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCC(=O)OC(C)C)c1 ZINC000157450932 524896282 /nfs/dbraw/zinc/89/62/82/524896282.db2.gz XBSBEYVUWUNKRT-INIZCTEOSA-N 1 0 321.417 3.182 10 0 DGAERO C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccccn1 ZINC000159189576 525324990 /nfs/dbraw/zinc/32/49/90/525324990.db2.gz IJGRUYLPALMTKZ-INIZCTEOSA-N 1 0 323.440 3.285 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(OC(C)(C)C)cc1 ZINC000157235654 525425457 /nfs/dbraw/zinc/42/54/57/525425457.db2.gz LAYHFFCZWBNBGD-KXBFYZLASA-N 1 0 321.461 3.304 10 0 DGAERO C[C@@](C[NH3+])(NC(=O)c1cccc(OCc2ccccc2)c1)C1CC1 ZINC000154918348 525742129 /nfs/dbraw/zinc/74/21/29/525742129.db2.gz FYXBERAPCOUGPG-FQEVSTJZSA-N 1 0 324.424 3.123 10 0 DGAERO CC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451356013 534888309 /nfs/dbraw/zinc/88/83/09/534888309.db2.gz WPWZENFFMAEMJJ-IPMKNSEASA-N 1 0 301.430 3.405 10 0 DGAERO Cc1cnc(-c2cccc(NC(=O)CCC3CC[NH2+]CC3)c2)o1 ZINC000237903469 525957356 /nfs/dbraw/zinc/95/73/56/525957356.db2.gz HFSFZOFILBTPOI-UHFFFAOYSA-N 1 0 313.401 3.368 10 0 DGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154579292 526179762 /nfs/dbraw/zinc/17/97/62/526179762.db2.gz MMGZHVCHABNLBJ-RDBSUJKOSA-N 1 0 303.475 3.472 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N(C)C)CCCO2 ZINC000154766379 526210822 /nfs/dbraw/zinc/21/08/22/526210822.db2.gz RTIINPMMIKMZJT-QGZVFWFLSA-N 1 0 311.429 3.460 10 0 DGAERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000163408193 526507154 /nfs/dbraw/zinc/50/71/54/526507154.db2.gz QEEVZQYQANEFHM-ZWKOTPCHSA-N 1 0 304.478 3.290 10 0 DGAERO CC(C)(C)OC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125059 526544876 /nfs/dbraw/zinc/54/48/76/526544876.db2.gz CLRVXAFBZJKQGJ-UHFFFAOYSA-N 1 0 303.406 3.449 10 0 DGAERO Brc1ccc(OCC[NH2+][C@H]2CCCSC2)cc1 ZINC000167460636 526643332 /nfs/dbraw/zinc/64/33/32/526643332.db2.gz ZAUNDOQOYWKKQH-LBPRGKRZSA-N 1 0 316.264 3.313 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000154885832 527144090 /nfs/dbraw/zinc/14/40/90/527144090.db2.gz GKPPSLXGFWNQCW-BZUAXINKSA-N 1 0 310.482 3.009 10 0 DGAERO CC(=O)c1c(F)cccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301156267 527174983 /nfs/dbraw/zinc/17/49/83/527174983.db2.gz PYCRVNULBNGHBU-UHFFFAOYSA-N 1 0 304.409 3.341 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000415455904 527301860 /nfs/dbraw/zinc/30/18/60/527301860.db2.gz SDTPQIAXBSCJQL-JQWIXIFHSA-N 1 0 323.824 3.134 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000415437165 527307916 /nfs/dbraw/zinc/30/79/16/527307916.db2.gz AFWBZSYGIAFTEA-MRXNPFEDSA-N 1 0 323.824 3.054 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000237867442 527350119 /nfs/dbraw/zinc/35/01/19/527350119.db2.gz IATAMXICUATYMF-RHSMWYFYSA-N 1 0 318.436 3.271 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000156855964 527406296 /nfs/dbraw/zinc/40/62/96/527406296.db2.gz BJOJAMOZVHLZRM-IUCAKERBSA-N 1 0 315.186 3.044 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCCC2)C1 ZINC000237892357 527415449 /nfs/dbraw/zinc/41/54/49/527415449.db2.gz TUZDOQOZTBNATP-YOEHRIQHSA-N 1 0 318.436 3.271 10 0 DGAERO C(c1nc(C2CCCC2)no1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178706407 527495910 /nfs/dbraw/zinc/49/59/10/527495910.db2.gz PTUNUIDSMTVUPF-UHFFFAOYSA-N 1 0 318.465 3.178 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000157784348 527588908 /nfs/dbraw/zinc/58/89/08/527588908.db2.gz FIQZYFQGMSZIEU-DZGCQCFKSA-N 1 0 322.497 3.148 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000328201823 527803181 /nfs/dbraw/zinc/80/31/81/527803181.db2.gz GDUNDBWVTGNKRR-LBPRGKRZSA-N 1 0 302.187 3.245 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000173966746 527966699 /nfs/dbraw/zinc/96/66/99/527966699.db2.gz MXKXNPCLUZUVSA-KGLIPLIRSA-N 1 0 318.383 3.218 10 0 DGAERO CCCN(CC[NH+](CC)CC)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434985226 528077651 /nfs/dbraw/zinc/07/76/51/528077651.db2.gz HECFNMUVLVUDCT-UHFFFAOYSA-N 1 0 304.438 3.224 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000191067237 528106679 /nfs/dbraw/zinc/10/66/79/528106679.db2.gz JLAFUBLPHLDFRW-DOTOQJQBSA-N 1 0 300.450 3.345 10 0 DGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C1(C)C ZINC000435128189 528131151 /nfs/dbraw/zinc/13/11/51/528131151.db2.gz ZSOAYDYKLBKRQA-HOTGVXAUSA-N 1 0 303.406 3.305 10 0 DGAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC3(C)CCC3)C2)CC1 ZINC000175003556 528251147 /nfs/dbraw/zinc/25/11/47/528251147.db2.gz VRNSINDLBREOMZ-KRWDZBQOSA-N 1 0 321.509 3.330 10 0 DGAERO CC(C)Oc1cccnc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000175600446 528267802 /nfs/dbraw/zinc/26/78/02/528267802.db2.gz AJRSMYDIAJAVIU-UHFFFAOYSA-N 1 0 313.401 3.183 10 0 DGAERO CCCOc1cccc(CNC(=O)C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000184669232 528756061 /nfs/dbraw/zinc/75/60/61/528756061.db2.gz LQORFCPYXPDIGF-HNNXBMFYSA-N 1 0 318.461 3.260 10 0 DGAERO CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000443392453 528761503 /nfs/dbraw/zinc/76/15/03/528761503.db2.gz NXDMSEYSUWOPSA-QGZVFWFLSA-N 1 0 301.434 3.103 10 0 DGAERO CCOC[C@@H](C)[NH2+]Cc1cc(Br)c(OC)s1 ZINC000309524222 528884805 /nfs/dbraw/zinc/88/48/05/528884805.db2.gz AVVQVSFJGKNSRX-MRVPVSSYSA-N 1 0 308.241 3.034 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NCC(C)(C)CC(C)C)CC1 ZINC000435518299 528963750 /nfs/dbraw/zinc/96/37/50/528963750.db2.gz INAZNPZPSNUIBQ-UHFFFAOYSA-N 1 0 311.514 3.480 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451913062 535067223 /nfs/dbraw/zinc/06/72/23/535067223.db2.gz PYEIQOPIEIVJRR-DZGCQCFKSA-N 1 0 320.260 3.198 10 0 DGAERO CC1(CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000472228517 535117145 /nfs/dbraw/zinc/11/71/45/535117145.db2.gz GVPQUCZIQNFUGZ-QGZVFWFLSA-N 1 0 321.509 3.474 10 0 DGAERO CCCCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1OC ZINC000456190517 535174949 /nfs/dbraw/zinc/17/49/49/535174949.db2.gz KURCBRNEYIUBFU-QZTJIDSGSA-N 1 0 324.509 3.305 10 0 DGAERO CC[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000468943052 535949199 /nfs/dbraw/zinc/94/91/99/535949199.db2.gz IWZWABCWNXCGJF-SNPRPXQTSA-N 1 0 300.368 3.437 10 0 DGAERO C[N@H+](CCCCNC(=O)Nc1ccc2c(c1)CCCO2)C1CC1 ZINC000454688313 536337233 /nfs/dbraw/zinc/33/72/33/536337233.db2.gz NNVPEENJCXAEGW-UHFFFAOYSA-N 1 0 317.433 3.008 10 0 DGAERO C[NH2+][C@@H]1CCN(c2cc(Br)ccc2F)[C@H](C)C1 ZINC000049711329 536377755 /nfs/dbraw/zinc/37/77/55/536377755.db2.gz UIAJOMVITUYSOR-MWLCHTKSSA-N 1 0 301.203 3.165 10 0 DGAERO COC(=O)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000470942631 536671797 /nfs/dbraw/zinc/67/17/97/536671797.db2.gz CUFDQGLOPSAHNQ-MFKMUULPSA-N 1 0 301.308 3.246 10 0 DGAERO COc1cccc2c1CC[N@H+](CC1(O)CCC(C)CC1)CC2 ZINC000489612843 536941548 /nfs/dbraw/zinc/94/15/48/536941548.db2.gz ZWVIJBYTLGTGIM-UHFFFAOYSA-N 1 0 303.446 3.037 10 0 DGAERO O[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000225262860 546267037 /nfs/dbraw/zinc/26/70/37/546267037.db2.gz PMEOGXBQZNFOJZ-RYUDHWBXSA-N 1 0 318.642 3.496 10 0 DGAERO O[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000037321053 545672575 /nfs/dbraw/zinc/67/25/75/545672575.db2.gz YVEYZNMICBARQI-RYUDHWBXSA-N 1 0 305.752 3.335 10 0 DGAERO Cc1cc(CN[C@H]2CCOc3ccc(Br)cc32)on1 ZINC000044987223 545679491 /nfs/dbraw/zinc/67/94/91/545679491.db2.gz ODGDPZLFBOUTOA-ZDUSSCGKSA-N 1 0 323.190 3.359 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(-c2nccs2)cc1 ZINC000054307544 545699840 /nfs/dbraw/zinc/69/98/40/545699840.db2.gz HCZPCGBXYQUYLX-GFCCVEGCSA-N 1 0 301.415 3.138 10 0 DGAERO CC(C)CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000074019541 545720751 /nfs/dbraw/zinc/72/07/51/545720751.db2.gz HIMBURZPHAJDOL-UHFFFAOYSA-N 1 0 303.450 3.128 10 0 DGAERO CCCn1nccc1NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000078246520 545745158 /nfs/dbraw/zinc/74/51/58/545745158.db2.gz BUQFXYVEQSVGCD-OAHLLOKOSA-N 1 0 323.485 3.171 10 0 DGAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000079515155 545757567 /nfs/dbraw/zinc/75/75/67/545757567.db2.gz JMZWVSVTFIQWCE-YGRLFVJLSA-N 1 0 300.324 3.025 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000085370776 545796822 /nfs/dbraw/zinc/79/68/22/545796822.db2.gz YKWISXPTWIUIKZ-PLMOITTCSA-N 1 0 301.217 3.298 10 0 DGAERO C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000089746512 545819988 /nfs/dbraw/zinc/81/99/88/545819988.db2.gz CPBZUHDMRUMATD-VHSXEESVSA-N 1 0 301.217 3.170 10 0 DGAERO COC1(C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CCOCC1 ZINC000090651269 545829647 /nfs/dbraw/zinc/82/96/47/545829647.db2.gz PREWODRGPXBBLY-QGZVFWFLSA-N 1 0 319.445 3.302 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000092955631 545850847 /nfs/dbraw/zinc/85/08/47/545850847.db2.gz BZABOZRHBCWFHM-NGZCFLSTSA-N 1 0 301.217 3.169 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000120641349 545888424 /nfs/dbraw/zinc/88/84/24/545888424.db2.gz PXVYDCQOHOPXRB-ZMZPIMSZSA-N 1 0 301.409 3.384 10 0 DGAERO CN1C[C@@H](Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CCC1=O ZINC000125343911 545916872 /nfs/dbraw/zinc/91/68/72/545916872.db2.gz DTROEPYNVUJYGT-NSHDSACASA-N 1 0 323.318 3.286 10 0 DGAERO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)on1 ZINC000126686211 545924261 /nfs/dbraw/zinc/92/42/61/545924261.db2.gz UWQJMNRFDKQVMH-RYUDHWBXSA-N 1 0 305.353 3.108 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000127371367 545929335 /nfs/dbraw/zinc/92/93/35/545929335.db2.gz MIFWFYQIVXFJEL-WMLDXEAASA-N 1 0 317.433 3.081 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000130456371 545950438 /nfs/dbraw/zinc/95/04/38/545950438.db2.gz QQAHFYIBCNGINK-MRXNPFEDSA-N 1 0 316.489 3.447 10 0 DGAERO c1nsc(N2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000134554985 545973780 /nfs/dbraw/zinc/97/37/80/545973780.db2.gz VSOIXFMAYCKUGW-UHFFFAOYSA-N 1 0 310.426 3.014 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)ccc1SC ZINC000136080755 545980756 /nfs/dbraw/zinc/98/07/56/545980756.db2.gz DCGGHCLIDJPGFV-HNNXBMFYSA-N 1 0 317.458 3.278 10 0 DGAERO CN1C[C@H]([NH2+][C@@H](Cc2ccccc2)C2CCCCC2)CCC1=O ZINC000152429641 546003374 /nfs/dbraw/zinc/00/33/74/546003374.db2.gz JHNWEOUDSLESFN-MOPGFXCFSA-N 1 0 314.473 3.388 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178562457 546130523 /nfs/dbraw/zinc/13/05/23/546130523.db2.gz JHVRNMIICKLCDM-XJKSGUPXSA-N 1 0 324.465 3.063 10 0 DGAERO O[C@@H](C[NH2+][C@H](c1cccs1)C1CCCC1)CN1CCCCC1 ZINC000179405332 546135676 /nfs/dbraw/zinc/13/56/76/546135676.db2.gz HAXSNAPPRPEHEY-WMZOPIPTSA-N 1 0 322.518 3.416 10 0 DGAERO CCOCCN1CC[N@H+](CC(C)(C)c2ccccc2)C[C@H]1CC ZINC000180087698 546140836 /nfs/dbraw/zinc/14/08/36/546140836.db2.gz NDWPKKWXTCSKRF-LJQANCHMSA-N 1 0 318.505 3.397 10 0 DGAERO c1cc2cnccc2c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000181539029 546158515 /nfs/dbraw/zinc/15/85/15/546158515.db2.gz CJBIESNDMAWTRQ-FUHWJXTLSA-N 1 0 314.454 3.379 10 0 DGAERO CCN(CC[N@H+](C)Cc1ccc(F)cc1)Cc1ccccn1 ZINC000181742046 546160280 /nfs/dbraw/zinc/16/02/80/546160280.db2.gz CUEAEENMOOFSHT-UHFFFAOYSA-N 1 0 301.409 3.175 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[NH2+][C@@H](C)[C@H]2CCCO2)c(C)c1 ZINC000183145608 546172242 /nfs/dbraw/zinc/17/22/42/546172242.db2.gz CQEHQXPBTFUHCX-DLBZAZTESA-N 1 0 318.461 3.488 10 0 DGAERO COCCCOC1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183342018 546175517 /nfs/dbraw/zinc/17/55/17/546175517.db2.gz BEBMERXBFGQJRE-UHFFFAOYSA-N 1 0 314.429 3.252 10 0 DGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185871504 546190308 /nfs/dbraw/zinc/19/03/08/546190308.db2.gz DHHDMZODMSZRJC-CXAGYDPISA-N 1 0 316.832 3.396 10 0 DGAERO CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H]3Cn3ccnc3)c2O1 ZINC000188411033 546205457 /nfs/dbraw/zinc/20/54/57/546205457.db2.gz MKGVUNGIDLTTGH-QGZVFWFLSA-N 1 0 311.429 3.261 10 0 DGAERO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cccc2cnccc21 ZINC000188931588 546208164 /nfs/dbraw/zinc/20/81/64/546208164.db2.gz KNGYHRBEYYOXHW-IBGZPJMESA-N 1 0 306.409 3.236 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cc(Br)cs1 ZINC000226393638 546267843 /nfs/dbraw/zinc/26/78/43/546267843.db2.gz OLIBZEYSYFLTLV-INTQDDNPSA-N 1 0 304.253 3.465 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000227375284 546268769 /nfs/dbraw/zinc/26/87/69/546268769.db2.gz WVBJIDLCJMKSOZ-ZKYQVNSYSA-N 1 0 324.877 3.368 10 0 DGAERO Fc1ccc(Br)c(F)c1C[NH2+]CC[C@H]1CCCO1 ZINC000230307067 546273371 /nfs/dbraw/zinc/27/33/71/546273371.db2.gz YVNGQAPBGSTFMR-SECBINFHSA-N 1 0 320.177 3.386 10 0 DGAERO Cc1cnccc1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000230702280 546274344 /nfs/dbraw/zinc/27/43/44/546274344.db2.gz OAGSFRSIKBEVER-JKSUJKDBSA-N 1 0 319.449 3.173 10 0 DGAERO Cc1csc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1Cl ZINC000236025857 546279349 /nfs/dbraw/zinc/27/93/49/546279349.db2.gz GAEKSHUBNGLQGU-NEPJUHHUSA-N 1 0 312.866 3.314 10 0 DGAERO COc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000245940890 546301152 /nfs/dbraw/zinc/30/11/52/546301152.db2.gz UIXILILZSXULIY-HNAYVOBHSA-N 1 0 312.413 3.347 10 0 DGAERO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000248557798 546318282 /nfs/dbraw/zinc/31/82/82/546318282.db2.gz BUJGJMDEFXCDHB-JJRVBVJISA-N 1 0 304.434 3.296 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000300421803 546435708 /nfs/dbraw/zinc/43/57/08/546435708.db2.gz ITALCIBCIZUYFQ-UGFHNGPFSA-N 1 0 312.251 3.273 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C2CSC2)cc1Br ZINC000309848145 546450755 /nfs/dbraw/zinc/45/07/55/546450755.db2.gz HQDRWPDOWGYFTL-QMMMGPOBSA-N 1 0 302.237 3.224 10 0 DGAERO CC[NH+](CC)[C@H](C)CNCc1cscc1Br ZINC000336677359 546516461 /nfs/dbraw/zinc/51/64/61/546516461.db2.gz BNFDXNPBVKTZTO-SNVBAGLBSA-N 1 0 305.285 3.331 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)CCN1Cc1ccccc1 ZINC000379628623 546734971 /nfs/dbraw/zinc/73/49/71/546734971.db2.gz NUCDRHZRTOIHRK-YMPIPDKKSA-N 1 0 316.489 3.180 10 0 DGAERO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CSC1 ZINC000381310861 546739234 /nfs/dbraw/zinc/73/92/34/546739234.db2.gz LNOCMHZILDOMBB-MRVPVSSYSA-N 1 0 304.228 3.224 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000389848587 546753503 /nfs/dbraw/zinc/75/35/03/546753503.db2.gz SKVRRUKMANVRMS-NQERJWCQSA-N 1 0 321.468 3.366 10 0 DGAERO O=C(c1cc(O)c2ccccc2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000471699083 546901468 /nfs/dbraw/zinc/90/14/68/546901468.db2.gz UXZMRWXNQDBLLD-UHFFFAOYSA-N 1 0 324.424 3.246 10 0 DGAERO c1nc(C2CC2)c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000494953280 546936160 /nfs/dbraw/zinc/93/61/60/546936160.db2.gz IVVPGDIGSCKLHY-OAHLLOKOSA-N 1 0 305.491 3.471 10 0 DGAERO c1ccc2sc([C@H]3CCC[N@@H+](Cc4cncnc4)C3)nc2c1 ZINC000534333113 546984006 /nfs/dbraw/zinc/98/40/06/546984006.db2.gz MWKBZKCYAWQFGY-AWEZNQCLSA-N 1 0 310.426 3.466 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cc(F)ccc2F)C1 ZINC000675055445 548148616 /nfs/dbraw/zinc/14/86/16/548148616.db2.gz SHRKOFXPXVPQQA-SMDDNHRTSA-N 1 0 312.360 3.283 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2cc(F)ccc2F)C1 ZINC000675055436 548148754 /nfs/dbraw/zinc/14/87/54/548148754.db2.gz SHRKOFXPXVPQQA-FZMZJTMJSA-N 1 0 312.360 3.283 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2ccc(F)cc2F)C1 ZINC000675053551 563860425 /nfs/dbraw/zinc/86/04/25/563860425.db2.gz IYLFPHDPMPYUDD-FZMZJTMJSA-N 1 0 312.360 3.283 10 0 DGAERO CC1(C)CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000382658847 574527853 /nfs/dbraw/zinc/52/78/53/574527853.db2.gz NVIXBQFJUHCYEJ-BCDXTJNWSA-N 1 0 312.457 3.156 10 0 DGAERO C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)CCN1Cc1ccccc1 ZINC000382660005 574527867 /nfs/dbraw/zinc/52/78/67/574527867.db2.gz PUVWETJEZZZJNS-HOJAQTOUSA-N 1 0 316.489 3.134 10 0 DGAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)CCN1Cc1ccccc1 ZINC000382660009 574527894 /nfs/dbraw/zinc/52/78/94/574527894.db2.gz PUVWETJEZZZJNS-RLLQIKCJSA-N 1 0 316.489 3.134 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1occc12 ZINC000724099524 563496472 /nfs/dbraw/zinc/49/64/72/563496472.db2.gz IGDJHGFZTBQZBX-PXAZEXFGSA-N 1 0 306.406 3.088 10 0 DGAERO CCCCCCOCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000730772435 574535653 /nfs/dbraw/zinc/53/56/53/574535653.db2.gz NDHFTKFZAUFBDF-FUHWJXTLSA-N 1 0 312.498 3.210 10 0 DGAERO CCCCCCOCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000730772434 574535710 /nfs/dbraw/zinc/53/57/10/574535710.db2.gz NDHFTKFZAUFBDF-AEFFLSMTSA-N 1 0 312.498 3.210 10 0 DGAERO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000228931987 574536263 /nfs/dbraw/zinc/53/62/63/574536263.db2.gz OTDRXRZOAQSPBN-QWRGUYRKSA-N 1 0 302.340 3.269 10 0 DGAERO CCC[NH+](CCC)Cn1cc(C(=O)OCC)c(C(F)(F)F)n1 ZINC000731495277 574550904 /nfs/dbraw/zinc/55/09/04/574550904.db2.gz XDGUMAZLLQSXGI-UHFFFAOYSA-N 1 0 321.343 3.158 10 0 DGAERO CN1CC[C@@H]([NH3+])C[C@H]1c1ccc(Br)c(Cl)c1 ZINC000675053127 563856530 /nfs/dbraw/zinc/85/65/30/563856530.db2.gz GFWOGRRHCBQUOE-SKDRFNHKSA-N 1 0 303.631 3.197 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cccc(F)c1F ZINC000675053968 563861320 /nfs/dbraw/zinc/86/13/20/563861320.db2.gz KWOXSFGVGSYAAI-ZWNOBZJWSA-N 1 0 312.360 3.364 10 0 DGAERO COc1ccc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1 ZINC000675054456 563861694 /nfs/dbraw/zinc/86/16/94/563861694.db2.gz NQGMQUYOEZBJMW-HIFRSBDPSA-N 1 0 306.406 3.095 10 0 DGAERO O=C1[C@H]([NH2+]C[C@@H]2CCc3ccccc32)CCN1c1ccccc1 ZINC000732227262 574569147 /nfs/dbraw/zinc/56/91/47/574569147.db2.gz AUGMAASOANOVSD-QFBILLFUSA-N 1 0 306.409 3.112 10 0 DGAERO C/C(=C/C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1cccc(F)c1 ZINC000732280933 574570459 /nfs/dbraw/zinc/57/04/59/574570459.db2.gz JVTZRVBKEIYVJI-QXSWTLKVSA-N 1 0 304.409 3.218 10 0 DGAERO CCN(Cc1ncc(C(C)C)o1)C[C@H]1COc2ccccc2O1 ZINC000733303747 574612531 /nfs/dbraw/zinc/61/25/31/574612531.db2.gz FPDOOBJWMALFGL-AWEZNQCLSA-N 1 0 316.401 3.460 10 0 DGAERO CC(=O)c1ccc(NC(=S)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000741493316 574959608 /nfs/dbraw/zinc/95/96/08/574959608.db2.gz SFHVIWUMIQEQHP-BLLLJJGKSA-N 1 0 319.474 3.001 10 0 DGAERO Cc1ncccc1C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000742377916 574994201 /nfs/dbraw/zinc/99/42/01/574994201.db2.gz KTBINMCFLVJBTD-UHFFFAOYSA-N 1 0 324.472 3.215 10 0 DGAERO Cc1ccccc1[C@H]1CC[N@@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000725777270 575911960 /nfs/dbraw/zinc/91/19/60/575911960.db2.gz CLMBFEMFQYEVBI-INIZCTEOSA-N 1 0 321.424 3.095 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccc(F)cc1Br ZINC000393977526 575936427 /nfs/dbraw/zinc/93/64/27/575936427.db2.gz YFUOGFZLAPHGQZ-RKDXNWHRSA-N 1 0 304.203 3.398 10 0 DGAERO CC[C@]1([NH2+]Cc2c(F)cccc2Br)CCOC1 ZINC000394919526 575946773 /nfs/dbraw/zinc/94/67/73/575946773.db2.gz SNIPOZHOSNNNLU-ZDUSSCGKSA-N 1 0 302.187 3.247 10 0 DGAERO C/C(=C\C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(F)cc1 ZINC000727095239 576106845 /nfs/dbraw/zinc/10/68/45/576106845.db2.gz CHFKFTATOKVCAC-JLHYYAGUSA-N 1 0 322.343 3.448 10 0 DGAERO CC(C)[C@@H](C)[N@H+](C)CN1C(=O)NC2(CCC(C(C)C)CC2)C1=O ZINC000727820338 576146489 /nfs/dbraw/zinc/14/64/89/576146489.db2.gz YVIRKBIXYYCRPX-KSTDHSDQSA-N 1 0 323.481 3.057 10 0 DGAERO Cc1cc(C[C@@H]([NH3+])[C@H](C)NC(=O)OC(C)(C)C)ccc1Cl ZINC000757147282 617653700 /nfs/dbraw/zinc/65/37/00/617653700.db2.gz SZTIPXWTPDFKDG-SMDDNHRTSA-N 1 0 312.841 3.431 10 0 DGAERO Cc1cc(C[C@@H]([NH3+])CCNC(=O)OC(C)(C)C)ccc1Cl ZINC000757156401 617659813 /nfs/dbraw/zinc/65/98/13/617659813.db2.gz IOJPLKUXKOLYGZ-ZDUSSCGKSA-N 1 0 312.841 3.433 10 0 DGAERO C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000151358523 620442626 /nfs/dbraw/zinc/44/26/26/620442626.db2.gz OESUCEMQVZYOEQ-UHLUBPPHSA-N 1 0 323.170 3.011 10 0 DGAERO C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000151358558 620442642 /nfs/dbraw/zinc/44/26/42/620442642.db2.gz OESUCEMQVZYOEQ-WPPNPWJKSA-N 1 0 323.170 3.011 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)ccc1F ZINC000153257830 620544820 /nfs/dbraw/zinc/54/48/20/620544820.db2.gz MPDFSDGNMXQIFC-BZNIZROVSA-N 1 0 307.340 3.358 10 0 DGAERO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000153388382 620557935 /nfs/dbraw/zinc/55/79/35/620557935.db2.gz MOYFWQYJXANKHV-LLVKDONJSA-N 1 0 305.349 3.399 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2nccn2C)oc1C ZINC000858008044 621143166 /nfs/dbraw/zinc/14/31/66/621143166.db2.gz HLITXVJZLKSZTK-JLJPHGGASA-N 1 0 317.433 3.448 10 0 DGAERO Cc1ccc(-c2cnn(C[N@H+]3CC[C@H](c4cnn(C)c4)C3)c2)cc1 ZINC000116257491 621214253 /nfs/dbraw/zinc/21/42/53/621214253.db2.gz ZHEVQFOUARIBLR-KRWDZBQOSA-N 1 0 321.428 3.039 10 0 DGAERO CCCCO[C@H](C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117100448 621351470 /nfs/dbraw/zinc/35/14/70/621351470.db2.gz SVWYCHYTEIFFQP-WBVHZDCISA-N 1 0 305.418 3.009 10 0 DGAERO O=C(COC1CCCCC1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117093557 621351635 /nfs/dbraw/zinc/35/16/35/621351635.db2.gz NMXMQHMHQBHZTD-GOSISDBHSA-N 1 0 317.429 3.153 10 0 DGAERO CC(C)(C)SCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117100667 621351695 /nfs/dbraw/zinc/35/16/95/621351695.db2.gz GXHBTUFWLYEVAC-HNNXBMFYSA-N 1 0 307.459 3.336 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)cc1 ZINC000119719232 621718615 /nfs/dbraw/zinc/71/86/15/621718615.db2.gz CTCUWOXHKUZUHC-AWEZNQCLSA-N 1 0 322.449 3.131 10 0 DGAERO C[N@H+](CCCOC(=O)C[C@H]1CCCCO1)Cc1ccccc1 ZINC000129514533 625665493 /nfs/dbraw/zinc/66/54/93/625665493.db2.gz BZMPVRDOJSQZLM-QGZVFWFLSA-N 1 0 305.418 3.011 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cc2ccccc2s1 ZINC000126634285 623970764 /nfs/dbraw/zinc/97/07/64/623970764.db2.gz YNAPZQBAEJLCBF-YPMHNXCESA-N 1 0 309.456 3.129 10 0 DGAERO C[NH+](C)C1CCN(Cc2cc(Cl)nc3ccccc23)CC1 ZINC000128273222 624829899 /nfs/dbraw/zinc/82/98/99/624829899.db2.gz HLDVIMZXSWQZMZ-UHFFFAOYSA-N 1 0 303.837 3.414 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(Cc2cccc(Cl)c2F)no1 ZINC000212451948 625774706 /nfs/dbraw/zinc/77/47/06/625774706.db2.gz UBIAUUPFBLUVMH-MNOVXSKESA-N 1 0 309.772 3.295 10 0 DGAERO C/C(=C/C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000130342052 625840267 /nfs/dbraw/zinc/84/02/67/625840267.db2.gz GGRHYTJOYMWTAP-OWBHPGMISA-N 1 0 318.436 3.466 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000130537849 625868597 /nfs/dbraw/zinc/86/85/97/625868597.db2.gz RXIOSWCIAGVUCZ-DLBZAZTESA-N 1 0 301.361 3.145 10 0 DGAERO Cc1cc(C[C@@H]([NH3+])CN(C)C(=O)OC(C)(C)C)ccc1Cl ZINC000757155976 626751433 /nfs/dbraw/zinc/75/14/33/626751433.db2.gz GJVJBCHTPZVBIJ-CYBMUJFWSA-N 1 0 312.841 3.385 10 0 DGAERO CN(C)c1cc[nH+]c(-c2cc(Br)ccc2F)c1N ZINC000757569037 626791238 /nfs/dbraw/zinc/79/12/38/626791238.db2.gz VEFWYJXDRQSHCN-UHFFFAOYSA-N 1 0 310.170 3.298 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(F)cc1Cl ZINC000136045359 627042945 /nfs/dbraw/zinc/04/29/45/627042945.db2.gz PZAJXTBMLFPMPA-UHFFFAOYSA-N 1 0 316.804 3.484 10 0 DGAERO COCc1ccccc1-c1nnc([C@H]2CCC[N@H+](C)[C@H]2C)o1 ZINC000886097165 627102060 /nfs/dbraw/zinc/10/20/60/627102060.db2.gz YAIVZPXLZOHGLM-JSGCOSHPSA-N 1 0 301.390 3.081 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300218749 627261747 /nfs/dbraw/zinc/26/17/47/627261747.db2.gz WNKWJRHHHGOPRV-WOPDTQHZSA-N 1 0 306.397 3.265 10 0 DGAERO Cc1ccccc1C[C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000223128494 627279194 /nfs/dbraw/zinc/27/91/94/627279194.db2.gz SXFVGAGGDZYEJK-HNNXBMFYSA-N 1 0 306.450 3.430 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000300800031 627281916 /nfs/dbraw/zinc/28/19/16/627281916.db2.gz AGTODIXCXLELNO-ZIAGYGMSSA-N 1 0 314.470 3.179 10 0 DGAERO CCCCCCOCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107524305 631648403 /nfs/dbraw/zinc/64/84/03/631648403.db2.gz OXQRMTKLGIWJEG-QGZVFWFLSA-N 1 0 310.482 3.060 10 0 DGAERO C[C@@H](CC[S@](C)=O)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722144679 658270548 /nfs/dbraw/zinc/27/05/48/658270548.db2.gz CFGQYNFTQWGSLW-YPMLDQLKSA-N 1 0 308.274 3.283 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000185348206 660217232 /nfs/dbraw/zinc/21/72/32/660217232.db2.gz IVNIYEMJJPAIBX-OAHLLOKOSA-N 1 0 324.490 3.299 10 0 DGAERO COC(C)(C)CC[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000230416246 659329302 /nfs/dbraw/zinc/32/93/02/659329302.db2.gz LNNFZMBPFBYMHF-QGZVFWFLSA-N 1 0 316.486 3.331 10 0 DGAERO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCCCCCO)CC1 ZINC000091689394 660454208 /nfs/dbraw/zinc/45/42/08/660454208.db2.gz VRINHEKINGKZDY-INIZCTEOSA-N 1 0 308.441 3.057 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)C(F)(F)F ZINC000358221687 660479532 /nfs/dbraw/zinc/47/95/32/660479532.db2.gz MRVYZRUNXKWXRB-ZJUUUORDSA-N 1 0 311.756 3.390 10 0 DGAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186677372 660563982 /nfs/dbraw/zinc/56/39/82/660563982.db2.gz COCYVDCIELGGDJ-NHCUHLMSSA-N 1 0 323.436 3.468 10 0 DGAERO C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(F)F ZINC000700236707 660616332 /nfs/dbraw/zinc/61/63/32/660616332.db2.gz NWMWXZNUKRJJLQ-RYUDHWBXSA-N 1 0 306.397 3.267 10 0 DGAERO CCC(F)(F)C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000700202862 660615871 /nfs/dbraw/zinc/61/58/71/660615871.db2.gz KCFAJRLEUAHGSA-NWDGAFQWSA-N 1 0 306.397 3.457 10 0 DGAERO [NH3+]C[C@H](NC(=O)c1sc2ccccc2c1Cl)C(F)(F)F ZINC000700363546 660621665 /nfs/dbraw/zinc/62/16/65/660621665.db2.gz CIAYMDKYFLAUQP-QMMMGPOBSA-N 1 0 322.739 3.174 10 0 DGAERO CC(C)(C)OC(=O)NCCCCCC[NH2+][C@H]1CCOC1(C)C ZINC000700464053 660627770 /nfs/dbraw/zinc/62/77/70/660627770.db2.gz HZVICIAKENTOSH-AWEZNQCLSA-N 1 0 314.470 3.229 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC000700731471 660633869 /nfs/dbraw/zinc/63/38/69/660633869.db2.gz GSQTYYPLJYZDJG-DOMZBBRYSA-N 1 0 308.397 3.313 10 0 DGAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cccnc1 ZINC000701856031 660690507 /nfs/dbraw/zinc/69/05/07/660690507.db2.gz OGQAQTDMVCFYGE-VNSJNIRKSA-N 1 0 317.433 3.132 10 0 DGAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccoc1 ZINC000701924350 660695496 /nfs/dbraw/zinc/69/54/96/660695496.db2.gz MPGWUDAMVOAKAD-POZPTJLLSA-N 1 0 306.406 3.330 10 0 DGAERO Cc1csc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC000701955929 660693896 /nfs/dbraw/zinc/69/38/96/660693896.db2.gz WJQMAQVXDZOSMY-NWDGAFQWSA-N 1 0 313.467 3.358 10 0 DGAERO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@]1(C)CCCS1 ZINC000701922804 660695603 /nfs/dbraw/zinc/69/56/03/660695603.db2.gz QWOIXGSTLDHGRR-IUODEOHRSA-N 1 0 302.484 3.117 10 0 DGAERO CS[C@H]1CC[C@@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000701993104 660696379 /nfs/dbraw/zinc/69/63/79/660696379.db2.gz NLXPFJACDTVFNN-HOAMVYINSA-N 1 0 314.495 3.306 10 0 DGAERO Cc1cccc(-c2noc([C@H](N)C[N@@H+](C)Cc3ccccc3)n2)c1 ZINC000702211380 660714327 /nfs/dbraw/zinc/71/43/27/660714327.db2.gz BFHUCMCUXZGIMQ-QGZVFWFLSA-N 1 0 322.412 3.177 10 0 DGAERO c1cc(C[NH2+]CCC2SCCS2)c2c(c1)OCCCO2 ZINC000703308770 660777257 /nfs/dbraw/zinc/77/72/57/660777257.db2.gz BWFDYZHQZFPEHT-UHFFFAOYSA-N 1 0 311.472 3.134 10 0 DGAERO Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000703509372 660780023 /nfs/dbraw/zinc/78/00/23/660780023.db2.gz ZFJQFZAFGFFBNF-OAHLLOKOSA-N 1 0 319.449 3.127 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000705305292 660837241 /nfs/dbraw/zinc/83/72/41/660837241.db2.gz WCYCXGKQVNTVJX-CZUORRHYSA-N 1 0 308.466 3.412 10 0 DGAERO CCC[C@H](C)C[NH2+]C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000705610192 660837616 /nfs/dbraw/zinc/83/76/16/660837616.db2.gz YGUBDCNKENLLEM-AWEZNQCLSA-N 1 0 314.470 3.086 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000706513985 660862012 /nfs/dbraw/zinc/86/20/12/660862012.db2.gz VTSLCYYPWIZLST-UPJWGTAASA-N 1 0 318.408 3.267 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCCC12CC2)c1cccc(Br)c1 ZINC000706937066 660882053 /nfs/dbraw/zinc/88/20/53/660882053.db2.gz SBJQANAUELPXSZ-KBPBESRZSA-N 1 0 310.235 3.405 10 0 DGAERO COc1cc(C[NH2+]C2CC(SC)C2)c(SC)cc1OC ZINC000708261558 660919390 /nfs/dbraw/zinc/91/93/90/660919390.db2.gz BWGCHDUEKXJQFK-UHFFFAOYSA-N 1 0 313.488 3.409 10 0 DGAERO C[C@@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn(C)cn1 ZINC000710009840 660931305 /nfs/dbraw/zinc/93/13/05/660931305.db2.gz AXEZBOAHCITAED-APWZRJJASA-N 1 0 312.461 3.125 10 0 DGAERO C[C@H]([NH2+]CCc1ccns1)c1ccc(Br)cn1 ZINC000709995808 660931470 /nfs/dbraw/zinc/93/14/70/660931470.db2.gz HFJIYIVMXXXBSG-VIFPVBQESA-N 1 0 312.236 3.194 10 0 DGAERO Brc1sccc1C[NH2+]CCc1ccns1 ZINC000710028889 660932042 /nfs/dbraw/zinc/93/20/42/660932042.db2.gz YBKGMDYZZCTZKC-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000710456332 660932862 /nfs/dbraw/zinc/93/28/62/660932862.db2.gz DOVVYDCMSCLXRF-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711371794 660949061 /nfs/dbraw/zinc/94/90/61/660949061.db2.gz XDRUQTUDQLDLMZ-LLVKDONJSA-N 1 0 315.244 3.197 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000187101046 660951541 /nfs/dbraw/zinc/95/15/41/660951541.db2.gz VZLOEAYSFQANPZ-NHYWBVRUSA-N 1 0 306.793 3.128 10 0 DGAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC000711439493 660952471 /nfs/dbraw/zinc/95/24/71/660952471.db2.gz PXSDGPZLSYHTKK-VOMCLLRMSA-N 1 0 311.451 3.097 10 0 DGAERO CCSCC[C@@H](C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711442393 660952884 /nfs/dbraw/zinc/95/28/84/660952884.db2.gz MSNVVIPXZMTNPZ-IYXRBSQSSA-N 1 0 316.511 3.411 10 0 DGAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000711446596 660953201 /nfs/dbraw/zinc/95/32/01/660953201.db2.gz FCSSDKZJWURVHJ-DNOWBOINSA-N 1 0 305.422 3.036 10 0 DGAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cscn1 ZINC000711493451 660955033 /nfs/dbraw/zinc/95/50/33/660955033.db2.gz UXEXVINLJMZASZ-VOMCLLRMSA-N 1 0 311.451 3.097 10 0 DGAERO Brc1ccoc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711485254 660955249 /nfs/dbraw/zinc/95/52/49/660955249.db2.gz ZAGHEWSROONVDJ-JTQLQIEISA-N 1 0 300.196 3.233 10 0 DGAERO Brc1ccc(C[NH2+]C[C@H]2CCC3(CCC3)O2)o1 ZINC000711485059 660955274 /nfs/dbraw/zinc/95/52/74/660955274.db2.gz VZDDZHAJNMLUGX-LLVKDONJSA-N 1 0 300.196 3.233 10 0 DGAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cccc(O)c1 ZINC000711502561 660955500 /nfs/dbraw/zinc/95/55/00/660955500.db2.gz BKRXFRQWWJBOMT-DNOWBOINSA-N 1 0 320.433 3.346 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000711508454 660955968 /nfs/dbraw/zinc/95/59/68/660955968.db2.gz ZREACMHEECCWPW-PHIMTYICSA-N 1 0 310.360 3.222 10 0 DGAERO Cc1cc(C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)on1 ZINC000711642464 660961153 /nfs/dbraw/zinc/96/11/53/660961153.db2.gz VORXQSOMYXCVAX-PBHICJAKSA-N 1 0 321.421 3.005 10 0 DGAERO Brc1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)s1 ZINC000711527115 655562303 /nfs/dbraw/zinc/56/23/03/655562303.db2.gz VNUOZQVFRQCQDR-DTORHVGOSA-N 1 0 304.278 3.305 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000049948764 655627100 /nfs/dbraw/zinc/62/71/00/655627100.db2.gz RWPFGLCTCNSQPQ-QWHCGFSZSA-N 1 0 302.187 3.245 10 0 DGAERO COC(C)(C)CC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000234565489 655631654 /nfs/dbraw/zinc/63/16/54/655631654.db2.gz BLOGRSOYKHVQEP-KBPBESRZSA-N 1 0 314.470 3.085 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000255283149 655681296 /nfs/dbraw/zinc/68/12/96/655681296.db2.gz GKYBGDOJJXLLHL-BYPLOIIRSA-N 1 0 304.409 3.074 10 0 DGAERO O=C(/C=C/c1ccc[nH]1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000187581700 655723195 /nfs/dbraw/zinc/72/31/95/655723195.db2.gz ZJRSWNOEKDOZLY-TZZQJPOUSA-N 1 0 323.440 3.199 10 0 DGAERO CC[C@@H]([NH2+]Cc1cncc(Br)c1)[C@@H]1CCCOC1 ZINC000724007172 655735590 /nfs/dbraw/zinc/73/55/90/655735590.db2.gz IQORWECLCYCJNX-TZMCWYRMSA-N 1 0 313.239 3.139 10 0 DGAERO CC[C@H]([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCCOC1 ZINC000724013575 655736287 /nfs/dbraw/zinc/73/62/87/655736287.db2.gz XCOLLNISBUKZIC-TUVASFSCSA-N 1 0 314.470 3.083 10 0 DGAERO CC(C)C[C@@H]([NH3+])Cc1nc(-c2cccc(Br)c2)no1 ZINC000132153347 655737009 /nfs/dbraw/zinc/73/70/09/655737009.db2.gz VHFWWYNSJVXVRT-GFCCVEGCSA-N 1 0 324.222 3.415 10 0 DGAERO CC(C)(C)SCC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724046782 655738959 /nfs/dbraw/zinc/73/89/59/655738959.db2.gz FDDUWRDNCYCUHR-VIFPVBQESA-N 1 0 309.344 3.056 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1Cl ZINC000724315336 655754231 /nfs/dbraw/zinc/75/42/31/655754231.db2.gz WIMJMFPRWMGPRD-ODWCKFRGSA-N 1 0 313.850 3.099 10 0 DGAERO CCN(c1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1)C(C)C ZINC000171070842 655787336 /nfs/dbraw/zinc/78/73/36/655787336.db2.gz OTEGDZSJBIRCAR-KRWDZBQOSA-N 1 0 318.465 3.089 10 0 DGAERO C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c2ccsc2S1 ZINC000724617348 655794593 /nfs/dbraw/zinc/79/45/93/655794593.db2.gz DEDQWEFHFVUOPX-AXMVNOCNSA-N 1 0 311.472 3.067 10 0 DGAERO CC[C@@](C)(O)C[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000161437540 655797489 /nfs/dbraw/zinc/79/74/89/655797489.db2.gz XCQAMNKDJLDEPB-WMLDXEAASA-N 1 0 316.486 3.019 10 0 DGAERO Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)c(Br)n1 ZINC000712452310 661188528 /nfs/dbraw/zinc/18/85/28/661188528.db2.gz UZPFDEAOUSKPFJ-CHWSQXEVSA-N 1 0 312.255 3.241 10 0 DGAERO C[C@H](C[NH2+]Cc1cn(C)nc1Br)c1ccccc1 ZINC000712449061 661188654 /nfs/dbraw/zinc/18/86/54/661188654.db2.gz UKTSRHLTQULOAN-LLVKDONJSA-N 1 0 308.223 3.076 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2Br)[C@H](C)C1 ZINC000712470534 661188716 /nfs/dbraw/zinc/18/87/16/661188716.db2.gz LWOIPVWCWIJQLX-FOGDFJRCSA-N 1 0 300.244 3.097 10 0 DGAERO CC[C@H]([NH2+]Cc1cn(C)nc1Br)C1CCCC1 ZINC000712482498 661189037 /nfs/dbraw/zinc/18/90/37/661189037.db2.gz OXYUMZSVIRJPPP-LBPRGKRZSA-N 1 0 300.244 3.241 10 0 DGAERO C[C@@H]([NH2+]CCc1sccc1Br)c1cn(C)cn1 ZINC000713012099 661189812 /nfs/dbraw/zinc/18/98/12/661189812.db2.gz GUFKEUSIHWHFAC-SECBINFHSA-N 1 0 314.252 3.137 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCc2sccc2Br)CCO1 ZINC000713095490 661190157 /nfs/dbraw/zinc/19/01/57/661190157.db2.gz UOILDQSXVYKLTC-NXEZZACHSA-N 1 0 304.253 3.210 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]CCc1sccc1Br ZINC000713092606 661190206 /nfs/dbraw/zinc/19/02/06/661190206.db2.gz FPXJIBJDLVPNQE-GXSJLCMTSA-N 1 0 304.253 3.068 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713079118 661190207 /nfs/dbraw/zinc/19/02/07/661190207.db2.gz XYJPCTQGMXPRDC-SCZZXKLOSA-N 1 0 306.294 3.394 10 0 DGAERO Brc1ccsc1CC[NH2+]C[C@@H]1CCSC1 ZINC000713078816 661190226 /nfs/dbraw/zinc/19/02/26/661190226.db2.gz QKODYGBTCGTFRO-VIFPVBQESA-N 1 0 306.294 3.396 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCc2sccc2Br)CCO1 ZINC000713095513 661190280 /nfs/dbraw/zinc/19/02/80/661190280.db2.gz UOILDQSXVYKLTC-ZJUUUORDSA-N 1 0 304.253 3.210 10 0 DGAERO CC[C@H]([NH2+]CCc1sccc1Br)[C@H]1CCOC1 ZINC000713115025 661190337 /nfs/dbraw/zinc/19/03/37/661190337.db2.gz DYBWXVVQRANJRG-JQWIXIFHSA-N 1 0 318.280 3.458 10 0 DGAERO Brc1ccc(CN2CC[NH2+]CCC23CCC3)s1 ZINC000713168395 661190697 /nfs/dbraw/zinc/19/06/97/661190697.db2.gz NIMAPLAKAPZOCQ-UHFFFAOYSA-N 1 0 315.280 3.229 10 0 DGAERO CN(CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C(=O)OC(C)(C)C ZINC000721572002 655852465 /nfs/dbraw/zinc/85/24/65/655852465.db2.gz SFQWPJXIXXEVPF-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cn(C)nc2Br)C1 ZINC000713859879 661195172 /nfs/dbraw/zinc/19/51/72/661195172.db2.gz PGMNHNVBNNKIPF-MXWKQRLJSA-N 1 0 300.244 3.049 10 0 DGAERO COCC1CC([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000713971909 661195545 /nfs/dbraw/zinc/19/55/45/661195545.db2.gz TYKCDEKMZDBKDH-UHFFFAOYSA-N 1 0 302.187 3.103 10 0 DGAERO COCC1CC([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000713979545 661195635 /nfs/dbraw/zinc/19/56/35/661195635.db2.gz VZQCELHRFLXSJI-UHFFFAOYSA-N 1 0 302.187 3.103 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000262531362 655861147 /nfs/dbraw/zinc/86/11/47/655861147.db2.gz PRISUWKHIPEJFJ-ZDUSSCGKSA-N 1 0 314.351 3.100 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000714627726 661201366 /nfs/dbraw/zinc/20/13/66/661201366.db2.gz UNMJEUZGOMBQQY-WDBKCZKBSA-N 1 0 310.235 3.451 10 0 DGAERO CC1(C)C(=O)N(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)C1(C)C ZINC000177690341 655940294 /nfs/dbraw/zinc/94/02/94/655940294.db2.gz PFXLSDYDIFWWHM-HNNXBMFYSA-N 1 0 308.466 3.015 10 0 DGAERO C[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(Cl)s1 ZINC000037020856 661213787 /nfs/dbraw/zinc/21/37/87/661213787.db2.gz SQEKCOQFLPHPHT-ZWNOBZJWSA-N 1 0 320.845 3.293 10 0 DGAERO CC(C)(O)CC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000310791162 655959331 /nfs/dbraw/zinc/95/93/31/655959331.db2.gz AXWWDBBMQWKDNT-GFCCVEGCSA-N 1 0 314.223 3.023 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000715154844 661209310 /nfs/dbraw/zinc/20/93/10/661209310.db2.gz LTBKMJIZXLQKPT-WKILWMFISA-N 1 0 304.434 3.122 10 0 DGAERO OC1(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)CCCCC1 ZINC000304297330 655987570 /nfs/dbraw/zinc/98/75/70/655987570.db2.gz GDYXVKJEQWVDRC-SFHVURJKSA-N 1 0 303.446 3.220 10 0 DGAERO Cc1ccc(OC[C@H](C)[NH2+]Cc2nc(Br)c[nH]2)cc1 ZINC000311478396 656002919 /nfs/dbraw/zinc/00/29/19/656002919.db2.gz AIJONLXPRYKXAU-NSHDSACASA-N 1 0 324.222 3.038 10 0 DGAERO Brc1cnc(C[NH2+]CC[C@@H]2CCCS2)s1 ZINC000715885435 661215493 /nfs/dbraw/zinc/21/54/93/661215493.db2.gz XWXYQEXYTKDVRE-QMMMGPOBSA-N 1 0 307.282 3.281 10 0 DGAERO Cc1ccnc(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000328182229 656055723 /nfs/dbraw/zinc/05/57/23/656055723.db2.gz NPVYQHAWSNNRJI-HOCLYGCPSA-N 1 0 319.449 3.173 10 0 DGAERO C[C@@H]([NH3+])c1nc(-c2nc([C@H]3CCC(F)(F)C3)no2)cs1 ZINC000312152741 656102134 /nfs/dbraw/zinc/10/21/34/656102134.db2.gz ATXBNUIMNZKDLM-RQJHMYQMSA-N 1 0 300.334 3.116 10 0 DGAERO C[C@H]([NH3+])c1nc(-c2nc([C@@H]3CCC(F)(F)C3)no2)cs1 ZINC000312152739 656102263 /nfs/dbraw/zinc/10/22/63/656102263.db2.gz ATXBNUIMNZKDLM-NKWVEPMBSA-N 1 0 300.334 3.116 10 0 DGAERO CSCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182199517 656103757 /nfs/dbraw/zinc/10/37/57/656103757.db2.gz QKUPRENMKPDVPK-GJZGRUSLSA-N 1 0 315.527 3.034 10 0 DGAERO Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000309678901 656114063 /nfs/dbraw/zinc/11/40/63/656114063.db2.gz BBGXECBJNUEBTL-SREVYHEPSA-N 1 0 304.434 3.474 10 0 DGAERO C[C@@H](Cc1cccc(F)c1)[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000309690671 656114425 /nfs/dbraw/zinc/11/44/25/656114425.db2.gz YWMOKNHTZHDRSK-GXMNPTEKSA-N 1 0 322.424 3.427 10 0 DGAERO C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000716634768 661225612 /nfs/dbraw/zinc/22/56/12/661225612.db2.gz XSJHSVJXSFKDOM-SNVBAGLBSA-N 1 0 315.244 3.040 10 0 DGAERO Cc1ccncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000309835190 656121493 /nfs/dbraw/zinc/12/14/93/656121493.db2.gz IJACYKXMHHLSHM-ZBFHGGJFSA-N 1 0 319.449 3.173 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1ncc(Br)s1 ZINC000716650386 661226240 /nfs/dbraw/zinc/22/62/40/661226240.db2.gz KGCXMCOPBUCXEK-IMSYWVGJSA-N 1 0 301.253 3.287 10 0 DGAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000716655118 661226265 /nfs/dbraw/zinc/22/62/65/661226265.db2.gz BABASUJQGAEFNS-PKLQELIFSA-N 1 0 308.466 3.171 10 0 DGAERO CC(C)SCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000312411278 656134122 /nfs/dbraw/zinc/13/41/22/656134122.db2.gz IZKUHJHNTSQYDA-ZDUSSCGKSA-N 1 0 307.381 3.470 10 0 DGAERO C[C@H](C1CC1)[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000074766787 656204003 /nfs/dbraw/zinc/20/40/03/656204003.db2.gz STFLCSRZHXRLIC-LLVKDONJSA-N 1 0 310.800 3.035 10 0 DGAERO Brc1cnc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)s1 ZINC000716997563 661236734 /nfs/dbraw/zinc/23/67/34/661236734.db2.gz FEPSUWLNBNITLJ-IVZWLZJFSA-N 1 0 301.253 3.431 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-n3ccnc3)cc2)o1 ZINC000066889736 656309256 /nfs/dbraw/zinc/30/92/56/656309256.db2.gz DOMPRPPGGCEEIC-CQSZACIVSA-N 1 0 324.384 3.334 10 0 DGAERO [NH3+][C@H]1CN(Cc2cc(F)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000717149649 661255820 /nfs/dbraw/zinc/25/58/20/661255820.db2.gz LEQNGELRYBVQGJ-NEPJUHHUSA-N 1 0 310.722 3.191 10 0 DGAERO CC1(C)CO[C@H](CC[NH2+]Cc2ccc(Br)o2)C1 ZINC000717298227 661261333 /nfs/dbraw/zinc/26/13/33/661261333.db2.gz FVJUPLBNYYRFMF-SNVBAGLBSA-N 1 0 302.212 3.337 10 0 DGAERO CN(CC[C@@H](O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310131106 656446707 /nfs/dbraw/zinc/44/67/07/656446707.db2.gz KSPCXOGQTTXNMP-NHCUHLMSSA-N 1 0 324.468 3.316 10 0 DGAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000717554262 661265524 /nfs/dbraw/zinc/26/55/24/661265524.db2.gz KSTBVMPGVXIHSY-BARDWOONSA-N 1 0 301.496 3.147 10 0 DGAERO c1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1 ZINC000723650859 656498285 /nfs/dbraw/zinc/49/82/85/656498285.db2.gz LDLXFYMQCZOFMO-UAFMIMERSA-N 1 0 314.473 3.056 10 0 DGAERO CC[C@H]([NH2+]Cc1ncc(Br)s1)[C@H]1CCCOC1 ZINC000723957622 656504549 /nfs/dbraw/zinc/50/45/49/656504549.db2.gz DEOOABPKDQUESN-UWVGGRQHSA-N 1 0 319.268 3.200 10 0 DGAERO CC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@H]1CCCOC1 ZINC000723952347 656504823 /nfs/dbraw/zinc/50/48/23/656504823.db2.gz QVKOVOSDVYUNJF-OALUTQOASA-N 1 0 313.445 3.226 10 0 DGAERO CC[C@H]([NH2+]Cc1ncc(Br)s1)[C@@H]1CCCOC1 ZINC000723957625 656504906 /nfs/dbraw/zinc/50/49/06/656504906.db2.gz DEOOABPKDQUESN-ZJUUUORDSA-N 1 0 319.268 3.200 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000724027299 656505270 /nfs/dbraw/zinc/50/52/70/656505270.db2.gz IVPYBCGDCKBTKA-BFHYXJOUSA-N 1 0 323.437 3.327 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3CCCOC3)C2)cc1 ZINC000723974560 656505676 /nfs/dbraw/zinc/50/56/76/656505676.db2.gz AICHFNFIGKFGQU-HSALFYBXSA-N 1 0 314.473 3.056 10 0 DGAERO CC(C)O[C@]1(C[NH2+]Cc2cc(F)cc(Cl)c2)CCOC1 ZINC000722355525 656507953 /nfs/dbraw/zinc/50/79/53/656507953.db2.gz FTKIQJFQMFHDCG-HNNXBMFYSA-N 1 0 301.789 3.153 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)ccc1Cl ZINC000724597938 656522215 /nfs/dbraw/zinc/52/22/15/656522215.db2.gz FCJQWMGGKSNEMM-HOZXKAFVSA-N 1 0 316.228 3.448 10 0 DGAERO C[N@H+](C[C@H](O)c1cc(F)ccc1F)CC1(O)CCCCCC1 ZINC000187327095 661281256 /nfs/dbraw/zinc/28/12/56/661281256.db2.gz CQJCCPGPFZPIJH-INIZCTEOSA-N 1 0 313.388 3.015 10 0 DGAERO COCc1csc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000722399142 656660620 /nfs/dbraw/zinc/66/06/20/656660620.db2.gz UXOOWADPMXXGLA-PWSUYJOCSA-N 1 0 309.353 3.094 10 0 DGAERO C[C@H](O)CCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000228035462 656848332 /nfs/dbraw/zinc/84/83/32/656848332.db2.gz BGXURUPYDZRMAF-GXFFZTMASA-N 1 0 314.223 3.023 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000261540410 656904498 /nfs/dbraw/zinc/90/44/98/656904498.db2.gz ACGPNANTCDCDGR-UHFFFAOYSA-N 1 0 324.424 3.090 10 0 DGAERO CC(C)[C@H](CCc1ccccc1)[NH2+]CCCN1CCOC1=O ZINC000178591062 656938360 /nfs/dbraw/zinc/93/83/60/656938360.db2.gz SXUBFAKJFFGHNV-KRWDZBQOSA-N 1 0 304.434 3.076 10 0 DGAERO CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000261637914 656938363 /nfs/dbraw/zinc/93/83/63/656938363.db2.gz DPGZTGPNFKSJOZ-RHSMWYFYSA-N 1 0 318.461 3.429 10 0 DGAERO CC(C)c1nc(CN(CC[NH3+])CCc2ccccc2)cs1 ZINC000261678744 656962206 /nfs/dbraw/zinc/96/22/06/656962206.db2.gz CVEIFVQDFOTVFF-UHFFFAOYSA-N 1 0 303.475 3.270 10 0 DGAERO CCC[N@H+](C[C@H]1CCCCO1)Cn1nccc1-c1ccncc1 ZINC000067095119 656983555 /nfs/dbraw/zinc/98/35/55/656983555.db2.gz RQMZIRCSGXJZBL-QGZVFWFLSA-N 1 0 314.433 3.184 10 0 DGAERO Cc1nc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000178748991 657038299 /nfs/dbraw/zinc/03/82/99/657038299.db2.gz NKZFEDSTYBUFAH-HNNXBMFYSA-N 1 0 316.426 3.191 10 0 DGAERO COC1(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)CCCCC1 ZINC000319744802 657163519 /nfs/dbraw/zinc/16/35/19/657163519.db2.gz WPQAYRKWCGCQBA-AWEZNQCLSA-N 1 0 314.470 3.181 10 0 DGAERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000126517378 657215441 /nfs/dbraw/zinc/21/54/41/657215441.db2.gz AIRMONSURROKER-MRVPVSSYSA-N 1 0 322.630 3.200 10 0 DGAERO COC(OC)[C@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000126517142 657215549 /nfs/dbraw/zinc/21/55/49/657215549.db2.gz AIRMONSURROKER-QMMMGPOBSA-N 1 0 322.630 3.200 10 0 DGAERO C[NH2+]CCc1ccccc1C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000262057415 657302731 /nfs/dbraw/zinc/30/27/31/657302731.db2.gz DQTQZRFTAYQTBF-CVEARBPZSA-N 1 0 302.462 3.395 10 0 DGAERO COC(=O)CC(C)(C)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000178930545 657330756 /nfs/dbraw/zinc/33/07/56/657330756.db2.gz HZEFXAGOPARKHY-UHFFFAOYSA-N 1 0 316.376 3.319 10 0 DGAERO CC(C)(C)OC(=O)N1CC=C(c2cccc3c2C[NH2+]C3)CC1 ZINC000721801716 657387427 /nfs/dbraw/zinc/38/74/27/657387427.db2.gz NYZBBMQZZNSIQH-UHFFFAOYSA-N 1 0 300.402 3.314 10 0 DGAERO CO[C@@H]1C[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC[C@@H]1C ZINC000251935655 657552182 /nfs/dbraw/zinc/55/21/82/657552182.db2.gz UGLJUDOHSPPUNA-YLQAJVPDSA-N 1 0 322.836 3.190 10 0 DGAERO [NH3+][C@H]1CC[C@H](c2nc(Cc3ccccc3Br)no2)C1 ZINC000097068263 657591264 /nfs/dbraw/zinc/59/12/64/657591264.db2.gz NXYMNZDBBGRJLT-QWRGUYRKSA-N 1 0 322.206 3.018 10 0 DGAERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccc(Br)s1 ZINC000720430946 657706907 /nfs/dbraw/zinc/70/69/07/657706907.db2.gz YAMHJOKRRINQNP-VXGBXAGGSA-N 1 0 315.280 3.179 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccccc1SC(F)F ZINC000054305573 657765108 /nfs/dbraw/zinc/76/51/08/657765108.db2.gz OOQNQHJEWZYJLA-SNVBAGLBSA-N 1 0 300.374 3.330 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)oc1C ZINC000188499130 657777326 /nfs/dbraw/zinc/77/73/26/657777326.db2.gz HQTAINWEAIGMRO-KBPBESRZSA-N 1 0 323.437 3.074 10 0 DGAERO Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)o1 ZINC000054358237 657939353 /nfs/dbraw/zinc/93/93/53/657939353.db2.gz LIEZPAGOSBCNTN-UHFFFAOYSA-N 1 0 312.413 3.456 10 0 DGAERO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cn(C)nc1Br ZINC000720644701 658053258 /nfs/dbraw/zinc/05/32/58/658053258.db2.gz DHXVEGVCKMDHMJ-UWVGGRQHSA-N 1 0 300.244 3.097 10 0 DGAERO Cn1cc(CNc2ccc3c([nH+]2)CCCC3)c(Br)n1 ZINC000720677492 658066460 /nfs/dbraw/zinc/06/64/60/658066460.db2.gz JHEPSSZOLJCLIA-UHFFFAOYSA-N 1 0 321.222 3.069 10 0 DGAERO CC1(C)CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1[NH3+] ZINC000720774953 658118481 /nfs/dbraw/zinc/11/84/81/658118481.db2.gz OICCDJWNLIDQDK-LLVKDONJSA-N 1 0 302.205 3.194 10 0 DGAERO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720951249 658251007 /nfs/dbraw/zinc/25/10/07/658251007.db2.gz BGKQYBXZTBDRPM-CEXWTWQISA-N 1 0 322.408 3.060 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccccn1 ZINC000721877027 658327356 /nfs/dbraw/zinc/32/73/56/658327356.db2.gz XPSLYTXGTPXOPR-UKRRQHHQSA-N 1 0 319.449 3.378 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179132110 658332780 /nfs/dbraw/zinc/33/27/80/658332780.db2.gz ZACXGEMBUJGLRW-GHMZBOCLSA-N 1 0 306.841 3.367 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179132088 658332898 /nfs/dbraw/zinc/33/28/98/658332898.db2.gz ZACXGEMBUJGLRW-MNOVXSKESA-N 1 0 306.841 3.367 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000721895935 658758470 /nfs/dbraw/zinc/75/84/70/658758470.db2.gz BPKKRDFHAHVLPF-OTWHNJEPSA-N 1 0 316.489 3.302 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000721987334 658765307 /nfs/dbraw/zinc/76/53/07/658765307.db2.gz WJMBPVAZSZVMPO-NSHDSACASA-N 1 0 316.214 3.181 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CCSCC2)C(C)(C)C1 ZINC000721895578 658806830 /nfs/dbraw/zinc/80/68/30/658806830.db2.gz FBQNHYAWXCAJME-ZDUSSCGKSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H](CC(=O)N1CCCC[C@H]1c1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000167103308 659076881 /nfs/dbraw/zinc/07/68/81/659076881.db2.gz GJCJMMNAPHJBFW-KFWWJZLASA-N 1 0 321.490 3.223 10 0 DGAERO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cncc2ccccc21 ZINC000227689822 659161522 /nfs/dbraw/zinc/16/15/22/659161522.db2.gz GNPBUGOFCZNRCV-ZDUSSCGKSA-N 1 0 315.417 3.238 10 0 DGAERO COCc1cccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1 ZINC000227756944 659163132 /nfs/dbraw/zinc/16/31/32/659163132.db2.gz VDYZAGBAMYBLBN-AATRIKPKSA-N 1 0 320.433 3.004 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1F ZINC000227758742 659163199 /nfs/dbraw/zinc/16/31/99/659163199.db2.gz UMXFMYDSIDHWCU-SNAWJCMRSA-N 1 0 312.360 3.135 10 0 DGAERO Cc1sc(C[NH2+]CC[C@H](C)[S@](C)=O)cc1Br ZINC000227853848 659166911 /nfs/dbraw/zinc/16/69/11/659166911.db2.gz ZSHHBZLOXDJTRG-PWJLMRLQSA-N 1 0 324.309 3.066 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCCN(c2ccccc2)CC1)c1ccccc1 ZINC000170777171 659236671 /nfs/dbraw/zinc/23/66/71/659236671.db2.gz DKBKDXQAZNTWFW-HXUWFJFHSA-N 1 0 310.441 3.106 10 0 DGAERO CC(C)Nc1ncnc2c1ncn2C[N@H+](C)CC1CCCCC1 ZINC000170902375 659246112 /nfs/dbraw/zinc/24/61/12/659246112.db2.gz WVWKRYXXUKWEAX-UHFFFAOYSA-N 1 0 316.453 3.116 10 0 DGAERO COCC[C@]1(CO)CCC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000229915625 659289753 /nfs/dbraw/zinc/28/97/53/659289753.db2.gz BMCBCGHVKQFFLH-BLMOFCDVSA-N 1 0 303.446 3.201 10 0 DGAERO CC[C@@H]([NH3+])c1cn(-c2ccc(Cl)c(Br)c2)nn1 ZINC000229930561 659291604 /nfs/dbraw/zinc/29/16/04/659291604.db2.gz QMAMBRRVNSUEKN-SNVBAGLBSA-N 1 0 315.602 3.093 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000230226419 659319824 /nfs/dbraw/zinc/31/98/24/659319824.db2.gz VYONDQBWMMDFBS-UHFFFAOYSA-N 1 0 316.804 3.484 10 0 DGAERO O=C(Cc1cccs1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000172154274 659320535 /nfs/dbraw/zinc/32/05/35/659320535.db2.gz LSEZTUGOJVBSPC-HNNXBMFYSA-N 1 0 301.411 3.108 10 0 DGAERO Cc1nn(CN(C[C@H]2CCCO2)C2CCCC2)c(=S)s1 ZINC000172952375 659366614 /nfs/dbraw/zinc/36/66/14/659366614.db2.gz GZPIPYOMVXENDG-CYBMUJFWSA-N 1 0 313.492 3.364 10 0 DGAERO FC(F)(F)c1ccn(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)n1 ZINC000172952287 659366777 /nfs/dbraw/zinc/36/67/77/659366777.db2.gz XRJVBJYKFQJCIQ-ZDUSSCGKSA-N 1 0 317.355 3.283 10 0 DGAERO Cc1cc(Br)ccc1-c1noc(CC[C@@H](C)[NH3+])n1 ZINC000231694095 659398987 /nfs/dbraw/zinc/39/89/87/659398987.db2.gz QBGUXGAMQVMXKX-SECBINFHSA-N 1 0 310.195 3.087 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000174564767 659439019 /nfs/dbraw/zinc/43/90/19/659439019.db2.gz RSKHMWXQQXPTOH-CABCVRRESA-N 1 0 308.422 3.453 10 0 DGAERO CCOCc1nc(Cl)cc(SCC[NH+](CC)CC)n1 ZINC000130299711 659664074 /nfs/dbraw/zinc/66/40/74/659664074.db2.gz QEKLZUVFNXKALF-UHFFFAOYSA-N 1 0 303.859 3.100 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3n[nH]cc32)CCN1Cc1ccccc1 ZINC000353533401 659996017 /nfs/dbraw/zinc/99/60/17/659996017.db2.gz RTVURHWKKUUXAN-AYBZRNKSSA-N 1 0 324.472 3.430 10 0 DGAERO O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000069870427 660026890 /nfs/dbraw/zinc/02/68/90/660026890.db2.gz PXOWSMUWMGVLCG-OALUTQOASA-N 1 0 312.413 3.054 10 0 DGAERO CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182287659 660041207 /nfs/dbraw/zinc/04/12/07/660041207.db2.gz LDQPRRXPOKWBOG-UONOGXRCSA-N 1 0 320.433 3.151 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1c(C)noc1C ZINC000182404824 660051249 /nfs/dbraw/zinc/05/12/49/660051249.db2.gz UPOCXWJKTYOHRS-LSDHHAIUSA-N 1 0 310.344 3.344 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1 ZINC000182653411 660069314 /nfs/dbraw/zinc/06/93/14/660069314.db2.gz XJMPSOIRLVJGHB-YWZLYKJASA-N 1 0 311.425 3.222 10 0 DGAERO CSC[C@@H](C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183201602 660104462 /nfs/dbraw/zinc/10/44/62/660104462.db2.gz QVDWBYCHMLZVMI-ZBFHGGJFSA-N 1 0 307.459 3.193 10 0 DGAERO [NH3+]Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000071699975 660140150 /nfs/dbraw/zinc/14/01/50/660140150.db2.gz BRFWGNGFELZTNB-UHFFFAOYSA-N 1 0 308.425 3.240 10 0 DGAERO Cc1nc(C)c(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000184058935 660154204 /nfs/dbraw/zinc/15/42/04/660154204.db2.gz NJRKTBLVGLJURU-MRXNPFEDSA-N 1 0 314.385 3.113 10 0 DGAERO COC[C@@H](C)CNc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000187529613 661796131 /nfs/dbraw/zinc/79/61/31/661796131.db2.gz CLZUNPZZACAGNF-HNNXBMFYSA-N 1 0 306.450 3.164 10 0 DGAERO Cc1ccc(CCCC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000040653241 661832258 /nfs/dbraw/zinc/83/22/58/661832258.db2.gz XZPABNLZVMLXSK-KRWDZBQOSA-N 1 0 302.462 3.308 10 0 DGAERO c1ccc(COc2ccccc2C[NH2+]CC[C@H]2CCCO2)nc1 ZINC000075762329 661946331 /nfs/dbraw/zinc/94/63/31/661946331.db2.gz REJIPXCLRISYMS-GOSISDBHSA-N 1 0 312.413 3.319 10 0 DGAERO Fc1cc(Br)cc(C[NH2+]Cc2ccc(F)nc2)c1 ZINC000189004664 661958578 /nfs/dbraw/zinc/95/85/78/661958578.db2.gz QMRZSUPMCCKGHE-UHFFFAOYSA-N 1 0 313.145 3.412 10 0 DGAERO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076075105 661966639 /nfs/dbraw/zinc/96/66/39/661966639.db2.gz BTRLZWZWEIPDGG-IRXDYDNUSA-N 1 0 319.445 3.306 10 0 DGAERO C[C@]1(C[NH2+]Cc2ccc(F)nc2)CCCN1Cc1ccccc1 ZINC000189390754 661977118 /nfs/dbraw/zinc/97/71/18/661977118.db2.gz YTIRCLCRASIPIU-LJQANCHMSA-N 1 0 313.420 3.365 10 0 DGAERO Oc1ccccc1C[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000191106528 662054469 /nfs/dbraw/zinc/05/44/69/662054469.db2.gz NCCJAOIKGMZURQ-UHFFFAOYSA-N 1 0 316.832 3.194 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(SC(F)F)cc2)C1 ZINC000194648430 662170325 /nfs/dbraw/zinc/17/03/25/662170325.db2.gz KFXSJLYNASFGBS-GFCCVEGCSA-N 1 0 314.401 3.215 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000195186430 662179932 /nfs/dbraw/zinc/17/99/32/662179932.db2.gz SVITYICUAAOSCC-RDTXWAMCSA-N 1 0 319.449 3.379 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000195438783 662189620 /nfs/dbraw/zinc/18/96/20/662189620.db2.gz WUPUYSRQZXCUDI-MRXNPFEDSA-N 1 0 305.805 3.480 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000195438778 662189700 /nfs/dbraw/zinc/18/97/00/662189700.db2.gz WUPUYSRQZXCUDI-INIZCTEOSA-N 1 0 305.805 3.480 10 0 DGAERO COc1ccc(Br)cc1/C=C\c1cccc[n+]1C ZINC000083308212 662194794 /nfs/dbraw/zinc/19/47/94/662194794.db2.gz PZLMXFUUITWLJF-VURMDHGXSA-N 1 0 305.195 3.453 10 0 DGAERO [NH3+]CCCCCCNc1ccnc2cc(Br)cnc21 ZINC000196680734 662199950 /nfs/dbraw/zinc/19/99/50/662199950.db2.gz SSSVSTUJYNLNPI-UHFFFAOYSA-N 1 0 323.238 3.323 10 0 DGAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717934396 662206986 /nfs/dbraw/zinc/20/69/86/662206986.db2.gz DQCCKZGXAWVVBG-DTWKUNHWSA-N 1 0 308.369 3.331 10 0 DGAERO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717938844 662210720 /nfs/dbraw/zinc/21/07/20/662210720.db2.gz QXOWAALNTLMAHK-SECBINFHSA-N 1 0 308.369 3.334 10 0 DGAERO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(C(F)(F)F)s1 ZINC000717955532 662212822 /nfs/dbraw/zinc/21/28/22/662212822.db2.gz GZXFOULZMHIWED-RLBGWGEZSA-N 1 0 311.394 3.329 10 0 DGAERO Cc1cc(N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)nc(N)[nH+]1 ZINC000718000423 662213148 /nfs/dbraw/zinc/21/31/48/662213148.db2.gz MKMZMMMSYUKPLC-CABCVRRESA-N 1 0 312.417 3.163 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(C(F)(F)F)s1 ZINC000717989796 662213161 /nfs/dbraw/zinc/21/31/61/662213161.db2.gz LMNIILGSLVAHCB-RNFRBKRXSA-N 1 0 303.296 3.434 10 0 DGAERO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(C(F)(F)F)s1 ZINC000717970059 662213456 /nfs/dbraw/zinc/21/34/56/662213456.db2.gz WLPDZUYRSDELSU-VIFPVBQESA-N 1 0 308.369 3.286 10 0 DGAERO Cc1coc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000718033110 662215288 /nfs/dbraw/zinc/21/52/88/662215288.db2.gz YZXCJXMWNABMAJ-UONOGXRCSA-N 1 0 308.422 3.466 10 0 DGAERO Cc1nc(C[NH2+]CC(C)(C)C[C@H](C)O)sc1Br ZINC000719256783 662272229 /nfs/dbraw/zinc/27/22/29/662272229.db2.gz KTLDNWBWRCBOPC-QMMMGPOBSA-N 1 0 321.284 3.101 10 0 DGAERO Cc1nc(C[NH2+][C@@H](CO)CC(C)(C)C)sc1Br ZINC000719259579 662272282 /nfs/dbraw/zinc/27/22/82/662272282.db2.gz TXWJUAMEUPMBLJ-SECBINFHSA-N 1 0 321.284 3.101 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000245898876 662243686 /nfs/dbraw/zinc/24/36/86/662243686.db2.gz DJIZFFQJEJSULA-CORIIIEPSA-N 1 0 322.453 3.062 10 0 DGAERO Clc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)s1 ZINC000718420968 662255124 /nfs/dbraw/zinc/25/51/24/662255124.db2.gz XBVYYTKEYHANDL-NWDGAFQWSA-N 1 0 302.896 3.071 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)CC1 ZINC000718766756 662261407 /nfs/dbraw/zinc/26/14/07/662261407.db2.gz VMPQTVDUDJLHMI-IEBWSBKVSA-N 1 0 313.445 3.369 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)CC1 ZINC000718839506 662262512 /nfs/dbraw/zinc/26/25/12/662262512.db2.gz JHBLJOPOCPGFEG-VHSXEESVSA-N 1 0 305.287 3.095 10 0 DGAERO CC1(C)CCCCC[C@@H]1[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000718949434 662265495 /nfs/dbraw/zinc/26/54/95/662265495.db2.gz IPFZCDUTBMVMMH-KKUMJFAQSA-N 1 0 301.496 3.291 10 0 DGAERO Cc1nc(CNCCC[N@@H+](C)C(C)C)sc1Br ZINC000719215101 662271497 /nfs/dbraw/zinc/27/14/97/662271497.db2.gz FKTJNGQVVKZBHL-UHFFFAOYSA-N 1 0 320.300 3.034 10 0 DGAERO CO[C@]1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCSC1 ZINC000719204661 662271534 /nfs/dbraw/zinc/27/15/34/662271534.db2.gz RGPGFFVBOQQITC-ZFWWWQNUSA-N 1 0 313.463 3.474 10 0 DGAERO CCOC[C@H]([NH2+]Cc1nc(C)c(Br)s1)C(C)C ZINC000719223752 662271546 /nfs/dbraw/zinc/27/15/46/662271546.db2.gz RLCDZVCAGRIMDV-JTQLQIEISA-N 1 0 321.284 3.365 10 0 DGAERO COCCCCC[NH2+]Cc1nc(C)c(Br)s1 ZINC000719277494 662272636 /nfs/dbraw/zinc/27/26/36/662272636.db2.gz HPGIVSFUYLDFMG-UHFFFAOYSA-N 1 0 307.257 3.120 10 0 DGAERO CC[C@H](C)[C@@H](C[NH2+]Cc1nc(C)c(Br)s1)OC ZINC000719288915 662272857 /nfs/dbraw/zinc/27/28/57/662272857.db2.gz QZMHSHICMPRGPS-WCBMZHEXSA-N 1 0 321.284 3.365 10 0 DGAERO Cc1nc(C[NH2+]CCSC(C)C)sc1Br ZINC000719322645 662274033 /nfs/dbraw/zinc/27/40/33/662274033.db2.gz TVKJITMNGWOTCR-UHFFFAOYSA-N 1 0 309.298 3.445 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)sc1Br ZINC000719305127 662274040 /nfs/dbraw/zinc/27/40/40/662274040.db2.gz MGBUKXNVUGJYMR-SFGNSQDASA-N 1 0 319.268 3.117 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccc(Br)s1 ZINC000719648628 662295429 /nfs/dbraw/zinc/29/54/29/662295429.db2.gz QVCAPKBFBLUKED-AEJSXWLSSA-N 1 0 303.269 3.254 10 0 DGAERO CCCn1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cn1 ZINC000247297759 662306851 /nfs/dbraw/zinc/30/68/51/662306851.db2.gz ZNJVHQOQBUIMAF-HZPDHXFCSA-N 1 0 319.474 3.443 10 0 DGAERO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccccc1N(C)C ZINC000093944504 662362121 /nfs/dbraw/zinc/36/21/21/662362121.db2.gz VYURKNKCXIBVNG-CQSZACIVSA-N 1 0 321.465 3.318 10 0 DGAERO CC(C)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000249054360 662363810 /nfs/dbraw/zinc/36/38/10/662363810.db2.gz XGURUKWNDMZNII-RHSMWYFYSA-N 1 0 318.461 3.150 10 0 DGAERO Cc1ccc(O)cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379965240 685150128 /nfs/dbraw/zinc/15/01/28/685150128.db2.gz LNCGETAAOKPNDD-QGZVFWFLSA-N 1 0 324.424 3.047 10 0 DGAERO C[C@H](Cc1ccccc1F)[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381768432 685160201 /nfs/dbraw/zinc/16/02/01/685160201.db2.gz PNCNUKBQXFGKGG-WBTMPAOCSA-N 1 0 322.424 3.427 10 0 DGAERO C[C@]1(CNC(=O)c2cccc(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000383393590 685166040 /nfs/dbraw/zinc/16/60/40/685166040.db2.gz LMHFQOYVKQUIQR-HXUWFJFHSA-N 1 0 324.424 3.034 10 0 DGAERO CN(CC[NH2+][C@@H]1CCOC2(CCCC2)C1)Cc1ccccc1 ZINC000386670373 685179754 /nfs/dbraw/zinc/17/97/54/685179754.db2.gz GFOFWACMONKBHK-GOSISDBHSA-N 1 0 302.462 3.200 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CS1 ZINC000389808696 685196304 /nfs/dbraw/zinc/19/63/04/685196304.db2.gz DMHLSAUYBKZJGE-CRWXNKLISA-N 1 0 314.495 3.116 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@H]1C ZINC000390053049 685198800 /nfs/dbraw/zinc/19/88/00/685198800.db2.gz GZDRGFJRJBSBIS-QPSCCSFWSA-N 1 0 308.466 3.410 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390889325 685207178 /nfs/dbraw/zinc/20/71/78/685207178.db2.gz ZXNAVWACODZHOZ-IPMKNSEASA-N 1 0 316.489 3.444 10 0 DGAERO O=c1cc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc[nH]1 ZINC000392757592 685214952 /nfs/dbraw/zinc/21/49/52/685214952.db2.gz NKMXHBUIMFXQDP-CQSZACIVSA-N 1 0 319.202 3.327 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000394610250 685222625 /nfs/dbraw/zinc/22/26/25/685222625.db2.gz MGQXSWHQHCZQAU-AVGNSLFASA-N 1 0 314.470 3.224 10 0 DGAERO COCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000395423591 685225393 /nfs/dbraw/zinc/22/53/93/685225393.db2.gz VCEOQHJFFKZLJK-ZNMIVQPWSA-N 1 0 314.470 3.085 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000395552647 685225558 /nfs/dbraw/zinc/22/55/58/685225558.db2.gz AIWDIWVDADROJZ-RBSFLKMASA-N 1 0 314.470 3.179 10 0 DGAERO Cc1ccc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC000397790864 685232243 /nfs/dbraw/zinc/23/22/43/685232243.db2.gz SIHXUPNSPSBFFN-UHFFFAOYSA-N 1 0 304.434 3.260 10 0 DGAERO C[C@H](CCc1ccccc1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000397854903 685233399 /nfs/dbraw/zinc/23/33/99/685233399.db2.gz CAMUUGZKVCZHLJ-OAHLLOKOSA-N 1 0 318.461 3.464 10 0 DGAERO C[C@@]1(C[NH2+]C[C@H](O)c2ccccc2)CCCN1Cc1ccccc1 ZINC000398007029 685233998 /nfs/dbraw/zinc/23/39/98/685233998.db2.gz YKWXPIKDHURPLB-SFTDATJTSA-N 1 0 324.468 3.364 10 0 DGAERO C[C@H](C[NH2+]Cc1nn(C)cc1Br)C1CCCCC1 ZINC000393338993 1176042531 /nfs/dbraw/zinc/04/25/31/1176042531.db2.gz ROBUIPJQDYHPOP-LLVKDONJSA-N 1 0 314.271 3.489 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]CCOCc3ccccc3)cc2)c1 ZINC000080244673 1176242317 /nfs/dbraw/zinc/24/23/17/1176242317.db2.gz YMSVKXVVTQGOCN-UHFFFAOYSA-N 1 0 307.397 3.179 10 0 DGAERO Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000226509427 1176517283 /nfs/dbraw/zinc/51/72/83/1176517283.db2.gz GLMNYLBEIFDVFR-UHFFFAOYSA-N 1 0 310.413 3.481 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]Cc2nn(C)cc2Br)CC1 ZINC000393319581 1176600268 /nfs/dbraw/zinc/60/02/68/1176600268.db2.gz DQOVXIUCIOSVSG-MNOVXSKESA-N 1 0 300.244 3.241 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000236292674 1176654114 /nfs/dbraw/zinc/65/41/14/1176654114.db2.gz DCWXANNGKHJKPK-GXTWGEPZSA-N 1 0 305.809 3.374 10 0 DGAERO Cc1cc(CNc2cc[nH+]cc2)ccc1I ZINC000381582723 1176990053 /nfs/dbraw/zinc/99/00/53/1176990053.db2.gz GAPMIORPIQQFFE-UHFFFAOYSA-N 1 0 324.165 3.029 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)[C@H](C)O1 ZINC000384655098 1177119210 /nfs/dbraw/zinc/11/92/10/1177119210.db2.gz COOMMGCVWJZLBQ-OVTCNUJSSA-N 1 0 324.262 3.462 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)[C@@H](C)O1 ZINC000385087243 1177154150 /nfs/dbraw/zinc/15/41/50/1177154150.db2.gz FUQPCGOXVMYYEF-DNSOKLHBSA-N 1 0 320.177 3.383 10 0 DGAERO Clc1cccc(Cl)c1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000152942655 1177214998 /nfs/dbraw/zinc/21/49/98/1177214998.db2.gz MMFVOTAWBYSMGX-LLVKDONJSA-N 1 0 304.217 3.279 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000085370645 1177713485 /nfs/dbraw/zinc/71/34/85/1177713485.db2.gz LBHHXDJNEWUERP-CABZTGNLSA-N 1 0 304.287 3.301 10 0 DGAERO c1ccc2c(c1)CCN2CCC[NH2+]Cc1cccc2c1OCCO2 ZINC000060856888 1195160780 /nfs/dbraw/zinc/16/07/80/1195160780.db2.gz RDAXAPGWJMTAFO-UHFFFAOYSA-N 1 0 324.424 3.000 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000063167133 1195281880 /nfs/dbraw/zinc/28/18/80/1195281880.db2.gz FVWXFOIFEZRNNN-GFCCVEGCSA-N 1 0 315.244 3.136 10 0 DGAERO C#CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000065960220 1195474973 /nfs/dbraw/zinc/47/49/73/1195474973.db2.gz AMRLSBNFZKESCQ-UHFFFAOYSA-N 1 0 302.393 3.422 10 0 DGAERO c1cnn(CCC[NH2+]Cc2ccccc2OCc2ccccn2)c1 ZINC000067186313 1195603645 /nfs/dbraw/zinc/60/36/45/1195603645.db2.gz DVOHHJIVDSZJOJ-UHFFFAOYSA-N 1 0 322.412 3.037 10 0 DGAERO CC(C)[NH2+][C@@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000071297983 1195949140 /nfs/dbraw/zinc/94/91/40/1195949140.db2.gz JKSRHSUBLFQVSW-GFCCVEGCSA-N 1 0 317.296 3.473 10 0 DGAERO [NH3+]Cc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000071700013 1195981712 /nfs/dbraw/zinc/98/17/12/1195981712.db2.gz ZHOXZSFHINORDZ-UHFFFAOYSA-N 1 0 309.413 3.388 10 0 DGAERO c1cc(N2CCCC2)ccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000075799880 1196423228 /nfs/dbraw/zinc/42/32/28/1196423228.db2.gz RWGXMLSNNZOHFK-UHFFFAOYSA-N 1 0 324.424 3.348 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)Cc2ccsc2)CC1 ZINC000081457506 1197221822 /nfs/dbraw/zinc/22/18/22/1197221822.db2.gz UNQJLGCFNAGLEK-CQSZACIVSA-N 1 0 308.491 3.258 10 0 DGAERO C[C@@H](Cc1ccsc1)[N@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000081598980 1197237684 /nfs/dbraw/zinc/23/76/84/1197237684.db2.gz QPUFIQLOEMPJNM-ZDUSSCGKSA-N 1 0 320.433 3.066 10 0 DGAERO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000087758848 1197410723 /nfs/dbraw/zinc/41/07/23/1197410723.db2.gz OSNZWYBQDOHANV-SNVBAGLBSA-N 1 0 303.233 3.388 10 0 DGAERO CC[C@](C)(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000322522640 1197688377 /nfs/dbraw/zinc/68/83/77/1197688377.db2.gz MMBNEBZUWCXIRA-CZUORRHYSA-N 1 0 302.459 3.085 10 0 DGAERO Cc1nc(CC[NH2+]Cc2cnn(Cc3ccccc3)c2)cs1 ZINC000378887225 1197701212 /nfs/dbraw/zinc/70/12/12/1197701212.db2.gz MOBSVOJSFGXRPO-UHFFFAOYSA-N 1 0 312.442 3.029 10 0 DGAERO CC1(C)C[N@H+](CC2CCC(O)CC2)CCN1Cc1ccccc1 ZINC000382640833 1197704621 /nfs/dbraw/zinc/70/46/21/1197704621.db2.gz DHWYLXRJQGPILR-UHFFFAOYSA-N 1 0 316.489 3.134 10 0 DGAERO Nc1c(Cl)cc(Cl)cc1CN1CC[NH+](C2CCC2)CC1 ZINC000381329195 1197705354 /nfs/dbraw/zinc/70/53/54/1197705354.db2.gz WHWGYEOVAQJZIL-UHFFFAOYSA-N 1 0 314.260 3.246 10 0 DGAERO Cc1cccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1F ZINC000384396682 1197706291 /nfs/dbraw/zinc/70/62/91/1197706291.db2.gz BQAVXVNFVLQZAG-UHFFFAOYSA-N 1 0 310.413 3.481 10 0 DGAERO CN(CC[NH2+]C[C@@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000386678618 1197707625 /nfs/dbraw/zinc/70/76/25/1197707625.db2.gz HTDRICUIXJIGMX-SFHVURJKSA-N 1 0 310.441 3.274 10 0 DGAERO CCC1(C[NH2+]Cc2ncccc2Br)CCOCC1 ZINC000386597680 1197708291 /nfs/dbraw/zinc/70/82/91/1197708291.db2.gz KNZZCRNTWHJPCQ-UHFFFAOYSA-N 1 0 313.239 3.141 10 0 DGAERO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000390728938 1197713658 /nfs/dbraw/zinc/71/36/58/1197713658.db2.gz ULZQRMFPBMMMLW-MAUKXSAKSA-N 1 0 306.413 3.337 10 0 DGAERO C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccc(Br)cc1 ZINC000392919626 1197717646 /nfs/dbraw/zinc/71/76/46/1197717646.db2.gz WPFJICXZFUYHNM-SNVBAGLBSA-N 1 0 307.191 3.401 10 0 DGAERO Cc1nc2ccccn2c1CNCCC[N@@H+](C)Cc1ccccc1 ZINC000393402261 1197718451 /nfs/dbraw/zinc/71/84/51/1197718451.db2.gz ZKMUDYNFEDZCIV-UHFFFAOYSA-N 1 0 322.456 3.254 10 0 DGAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CSC1(C)C ZINC000393875747 1197720582 /nfs/dbraw/zinc/72/05/82/1197720582.db2.gz FJONVVRCSKIJEN-CHWSQXEVSA-N 1 0 316.511 3.267 10 0 DGAERO C(Cc1nc2c(s1)CCCC2)[NH2+]Cc1nc2c(s1)CCC2 ZINC000093075246 1198649629 /nfs/dbraw/zinc/64/96/29/1198649629.db2.gz LPAZULNOSSETEB-UHFFFAOYSA-N 1 0 319.499 3.299 10 0 DGAERO COCc1ccc(NC(=O)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000096626287 1198986842 /nfs/dbraw/zinc/98/68/42/1198986842.db2.gz IKWCLYLFAFWHMP-UHFFFAOYSA-N 1 0 304.434 3.140 10 0 DGAERO COc1ccc(C[NH2+]CCc2cc(C)ccc2OC)cc1F ZINC000096982209 1199070487 /nfs/dbraw/zinc/07/04/87/1199070487.db2.gz MPBHTMDKLRLNKR-UHFFFAOYSA-N 1 0 303.377 3.484 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CSC2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722677 1199417077 /nfs/dbraw/zinc/41/70/77/1199417077.db2.gz BXYGAWACXBPUOW-FRRDWIJNSA-N 1 0 314.495 3.116 10 0 DGAERO CC[C@](C)(C[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)OC ZINC000401832918 1199421267 /nfs/dbraw/zinc/42/12/67/1199421267.db2.gz KFEDJBORIGMNOX-JJRVBVJISA-N 1 0 314.470 3.037 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403484584 1199499251 /nfs/dbraw/zinc/49/92/51/1199499251.db2.gz SZFFPEFFHYYPFI-TVFCKZIOSA-N 1 0 314.429 3.176 10 0 DGAERO CC[C@](C)(C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)OC ZINC000404743774 1199581118 /nfs/dbraw/zinc/58/11/18/1199581118.db2.gz CYCNMQJEKJBXQW-MRXNPFEDSA-N 1 0 314.470 3.086 10 0 DGAERO CCC(C)(C)OCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000308540170 1199703794 /nfs/dbraw/zinc/70/37/94/1199703794.db2.gz ITUVXZNCHSNYBL-SFHVURJKSA-N 1 0 304.478 3.446 10 0 DGAERO CC[C@](C)(C[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC000319431420 1199838854 /nfs/dbraw/zinc/83/88/54/1199838854.db2.gz JXRQAIOTYLESGC-JJRVBVJISA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000119669806 1200103880 /nfs/dbraw/zinc/10/38/80/1200103880.db2.gz FQXAOFUXESHSEE-QGZVFWFLSA-N 1 0 318.461 3.438 10 0 DGAERO c1cc(C[NH2+]CCCN2CCN(c3ccccc3)CC2)cs1 ZINC000119687586 1200107239 /nfs/dbraw/zinc/10/72/39/1200107239.db2.gz DRROVELQJZRSIO-UHFFFAOYSA-N 1 0 315.486 3.050 10 0 DGAERO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000121137967 1200196502 /nfs/dbraw/zinc/19/65/02/1200196502.db2.gz OJSGWIFPSRAKHD-FHWLQOOXSA-N 1 0 303.446 3.183 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1Cl ZINC000124598516 1200357037 /nfs/dbraw/zinc/35/70/37/1200357037.db2.gz CKCXALJTEZBVFD-AWEZNQCLSA-N 1 0 317.820 3.275 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000135955285 1201207943 /nfs/dbraw/zinc/20/79/43/1201207943.db2.gz MPQDNTFZEHIIAL-QGZVFWFLSA-N 1 0 324.509 3.255 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000135964661 1201207978 /nfs/dbraw/zinc/20/79/78/1201207978.db2.gz LYIGAQXXOVAEBH-HNNXBMFYSA-N 1 0 310.482 3.153 10 0 DGAERO COC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1)C(C)C ZINC000223179757 1202581060 /nfs/dbraw/zinc/58/10/60/1202581060.db2.gz NXAKMHUTXWPUJG-HNNXBMFYSA-N 1 0 314.470 3.037 10 0 DGAERO CCc1oc2ccccc2c1C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155123507 1202598554 /nfs/dbraw/zinc/59/85/54/1202598554.db2.gz ZYMTTYHOIGTRNM-BETUJISGSA-N 1 0 300.402 3.160 10 0 DGAERO CC[C@@H](O)C[NH2+][C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000232141545 1202600760 /nfs/dbraw/zinc/60/07/60/1202600760.db2.gz DZPFWCCFUHXUKB-GDBMZVCRSA-N 1 0 320.433 3.381 10 0 DGAERO Cc1nc(Cl)ccc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000157796248 1202602919 /nfs/dbraw/zinc/60/29/19/1202602919.db2.gz WHNQESGZZIQLRU-AWEZNQCLSA-N 1 0 321.852 3.038 10 0 DGAERO COc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1F ZINC000237158977 1202651654 /nfs/dbraw/zinc/65/16/54/1202651654.db2.gz ZIWOPYDOYAWYPP-UHFFFAOYSA-N 1 0 319.376 3.184 10 0 DGAERO [NH3+]C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)C1CCCCC1 ZINC000237895948 1202770010 /nfs/dbraw/zinc/77/00/10/1202770010.db2.gz VMOLAXHREBWART-VYDXJSESSA-N 1 0 322.399 3.092 10 0 DGAERO CNC(=O)c1ccc(C[N@@H+]2CCc3cc(C)cc(C)c3C2)cc1 ZINC000186462773 1202924378 /nfs/dbraw/zinc/92/43/78/1202924378.db2.gz TXLGSEMMYRSYDW-UHFFFAOYSA-N 1 0 308.425 3.221 10 0 DGAERO C[C@@H](Cc1ccsc1)N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192676030 1203290135 /nfs/dbraw/zinc/29/01/35/1203290135.db2.gz WDEUIOSJKJPDRW-ZDUSSCGKSA-N 1 0 306.475 3.012 10 0 DGAERO Clc1cccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000245907943 1203699259 /nfs/dbraw/zinc/69/92/59/1203699259.db2.gz QYBYMAWIEMTLRF-KBPBESRZSA-N 1 0 312.866 3.222 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H](C)Cc2ccsc2)C1 ZINC000246116358 1203711703 /nfs/dbraw/zinc/71/17/03/1203711703.db2.gz CNZIWJWFMHWBDM-GDBMZVCRSA-N 1 0 323.506 3.052 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246976068 1203764543 /nfs/dbraw/zinc/76/45/43/1203764543.db2.gz JLZGRPDVSHCVEB-FVQBIDKESA-N 1 0 323.506 3.193 10 0 DGAERO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261876326 1204298488 /nfs/dbraw/zinc/29/84/88/1204298488.db2.gz ZSFDVTPUCQCFTB-UWVGGRQHSA-N 1 0 314.216 3.067 10 0 DGAERO C[C@@H](CNc1nc2cc(Br)ccc2o1)[N@H+](C)C1CC1 ZINC000705924481 1081822291 /nfs/dbraw/zinc/82/22/91/1081822291.db2.gz UMQZIZVYOBVCBG-VIFPVBQESA-N 1 0 324.222 3.485 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1c(F)cccc1F ZINC000397785962 1081997936 /nfs/dbraw/zinc/99/79/36/1081997936.db2.gz BFMYQNGVUDMJLO-UHFFFAOYSA-N 1 0 314.376 3.359 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000398594172 1082174787 /nfs/dbraw/zinc/17/47/87/1082174787.db2.gz XUSSWJFXHJZKIM-GFCCVEGCSA-N 1 0 316.239 3.098 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccccc1I)C1CC1 ZINC000308815160 1082828196 /nfs/dbraw/zinc/82/81/96/1082828196.db2.gz ALDKXFVUYCGQSH-JTQLQIEISA-N 1 0 315.198 3.427 10 0 DGAERO Cc1cc(=O)oc2cc(OCC[N@@H+]3C[C@@H]4CCC[C@@H]4C3)ccc12 ZINC000153009506 1083958524 /nfs/dbraw/zinc/95/85/24/1083958524.db2.gz YCYATNGBJGQDKD-GASCZTMLSA-N 1 0 313.397 3.212 10 0 DGAERO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cnsc1 ZINC000712850676 1085829550 /nfs/dbraw/zinc/82/95/50/1085829550.db2.gz DERCZTFCTOLHSJ-ZDUSSCGKSA-N 1 0 313.467 3.172 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2ccncc2Br)OC1 ZINC000713617852 1086540901 /nfs/dbraw/zinc/54/09/01/1086540901.db2.gz FJHVAUSIDRXDGC-LBPRGKRZSA-N 1 0 313.239 3.139 10 0 DGAERO Cc1ccc2cc(C[NH2+][C@@H]3CCCCC34OCCO4)ccc2n1 ZINC000715681456 1090682253 /nfs/dbraw/zinc/68/22/53/1090682253.db2.gz GXWMMNNHECXTSE-GOSISDBHSA-N 1 0 312.413 3.319 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(F)c1Br ZINC000720281924 1090899509 /nfs/dbraw/zinc/89/95/09/1090899509.db2.gz OVLZDFOGPSPQMR-SECBINFHSA-N 1 0 304.203 3.491 10 0 DGAERO C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1CCC(SC)CC1 ZINC000720566388 1093100172 /nfs/dbraw/zinc/10/01/72/1093100172.db2.gz IETICJIJTSBWBG-JXQTWKCFSA-N 1 0 300.512 3.049 10 0 DGAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1CC2CCC1CC2 ZINC000400095241 1093868984 /nfs/dbraw/zinc/86/89/84/1093868984.db2.gz JPDTXPKXSDKFFH-HTAVTVPLSA-N 1 0 312.255 3.099 10 0 DGAERO C[C@@H]([NH2+]Cc1ccncc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400395259 1093890974 /nfs/dbraw/zinc/89/09/74/1093890974.db2.gz JGGRFJOWDCSKOR-CQSZACIVSA-N 1 0 319.449 3.207 10 0 DGAERO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(F)F ZINC000401105481 1093936259 /nfs/dbraw/zinc/93/62/59/1093936259.db2.gz FQMZJRRTOGWNMT-WUHRBBMRSA-N 1 0 318.408 3.265 10 0 DGAERO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)n1 ZINC000401674836 1093963247 /nfs/dbraw/zinc/96/32/47/1093963247.db2.gz NQWNLYMWXLYOLT-CZUORRHYSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401791937 1093972632 /nfs/dbraw/zinc/97/26/32/1093972632.db2.gz WYVNCNRQFNJNCC-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO CCOCCCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401801318 1093973237 /nfs/dbraw/zinc/97/32/37/1093973237.db2.gz NCVZPVRDDZKFHU-HUUCEWRRSA-N 1 0 314.470 3.038 10 0 DGAERO CSCCCC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401855340 1093975364 /nfs/dbraw/zinc/97/53/64/1093975364.db2.gz YKIKUMAFAHZPDS-INIZCTEOSA-N 1 0 322.474 3.130 10 0 DGAERO OC1(C(F)(F)F)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000403539829 1094137356 /nfs/dbraw/zinc/13/73/56/1094137356.db2.gz DIZXQRUPLURWCX-ACDMLXGOSA-N 1 0 309.397 3.239 10 0 DGAERO COC(=O)c1cnc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)s1 ZINC000403583109 1094147038 /nfs/dbraw/zinc/14/70/38/1094147038.db2.gz UQBBSVPCLRBUSE-OFLUOSHYSA-N 1 0 312.460 3.007 10 0 DGAERO C[C@H]([NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)c1ccncc1 ZINC000404772460 1094268550 /nfs/dbraw/zinc/26/85/50/1094268550.db2.gz XKBCJLJWNNFEMI-AWEZNQCLSA-N 1 0 319.449 3.427 10 0 DGAERO COCCCCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404864956 1094271049 /nfs/dbraw/zinc/27/10/49/1094271049.db2.gz BACRJVMUMRDWGL-UONOGXRCSA-N 1 0 314.470 3.085 10 0 DGAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000405572991 1094388298 /nfs/dbraw/zinc/38/82/98/1094388298.db2.gz DAZUDGWJDYTSPJ-CBBWQLFWSA-N 1 0 314.470 3.083 10 0 DGAERO OC1CCC(C[NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC000309797986 1094821346 /nfs/dbraw/zinc/82/13/46/1094821346.db2.gz QUOWZALHOLFSFU-UHFFFAOYSA-N 1 0 303.446 3.219 10 0 DGAERO O=C1O[C@H](C[NH+]2CCC(Oc3ccccc3)CC2)CC12CCC2 ZINC000191963781 1095037048 /nfs/dbraw/zinc/03/70/48/1095037048.db2.gz UHZZMTVMETWCEG-KRWDZBQOSA-N 1 0 315.413 3.016 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1F ZINC000721884609 1098123768 /nfs/dbraw/zinc/12/37/68/1098123768.db2.gz ATHGOEKVPJVHMR-CZUORRHYSA-N 1 0 322.424 3.479 10 0 DGAERO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc(Cl)n1 ZINC000157692509 1100398009 /nfs/dbraw/zinc/39/80/09/1100398009.db2.gz WJHQXXDJMCPINJ-OAHLLOKOSA-N 1 0 321.852 3.038 10 0 DGAERO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000718030945 1104485993 /nfs/dbraw/zinc/48/59/93/1104485993.db2.gz GCQVQKBQYRUJCH-FFZOFVMBSA-N 1 0 316.489 3.444 10 0 DGAERO C[C@@H]1[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CCN1C ZINC000719597828 1104956897 /nfs/dbraw/zinc/95/68/97/1104956897.db2.gz FWBPJKUONUXSKY-MLVVQWTHSA-N 1 0 323.278 3.377 10 0 DGAERO C[C@@H]1C[C@H](C)CC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000723821645 1106361578 /nfs/dbraw/zinc/36/15/78/1106361578.db2.gz CEZHDMALDFYTRH-GHMZBOCLSA-N 1 0 300.244 3.051 10 0 DGAERO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC(F)F ZINC000381761475 1108108242 /nfs/dbraw/zinc/10/82/42/1108108242.db2.gz KTGPHADJMKGLHB-VXGBXAGGSA-N 1 0 306.397 3.409 10 0 DGAERO C[C@H]1[C@@H](O)CCCN1Cc1cc(Cl)ccc1Br ZINC000384982244 1108327176 /nfs/dbraw/zinc/32/71/76/1108327176.db2.gz ZGCAOCDHWDXSQC-ZANVPECISA-N 1 0 318.642 3.448 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000701918631 1109001929 /nfs/dbraw/zinc/00/19/29/1109001929.db2.gz HLEFYAMEUFECFK-FSZRXZPDSA-N 1 0 308.466 3.412 10 0 DGAERO c1ccc2c(c1)cncc2C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000393457890 1109017983 /nfs/dbraw/zinc/01/79/83/1109017983.db2.gz QZYHMVKLKZRLJI-UHFFFAOYSA-N 1 0 306.365 3.296 10 0 DGAERO CC[C@@H](C)Oc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000177694693 529383047 /nfs/dbraw/zinc/38/30/47/529383047.db2.gz WNPFANVFFFWHLH-NVXWUHKLSA-N 1 0 318.461 3.420 10 0 DGAERO OC[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccsc1 ZINC000309569079 231099031 /nfs/dbraw/zinc/09/90/31/231099031.db2.gz MCLAYCHVRUTXAD-SNVBAGLBSA-N 1 0 318.261 3.395 10 0 DGAERO FCCCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000310806152 231114154 /nfs/dbraw/zinc/11/41/54/231114154.db2.gz YMQQUNQTLUKKDA-UHFFFAOYSA-N 1 0 318.186 3.060 10 0 DGAERO CC[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000438601349 529457790 /nfs/dbraw/zinc/45/77/90/529457790.db2.gz WBLSBOMZEIMLPI-GVDBMIGSSA-N 1 0 307.482 3.083 10 0 DGAERO CC[C@@H]1C[C@H]1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000438601347 529458050 /nfs/dbraw/zinc/45/80/50/529458050.db2.gz WBLSBOMZEIMLPI-BRWVUGGUSA-N 1 0 307.482 3.083 10 0 DGAERO CCCOc1ccc(C(=O)[C@@H]2CCC[NH2+]2)cc1Br ZINC000083162852 185215370 /nfs/dbraw/zinc/21/53/70/185215370.db2.gz QZCVTBGXZZUOFV-LBPRGKRZSA-N 1 0 312.207 3.173 10 0 DGAERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C/C=C/c2ccccc2)cn1 ZINC000328628865 231261911 /nfs/dbraw/zinc/26/19/11/231261911.db2.gz HRHUQBJIEQJSLH-KKGKNSNXSA-N 1 0 311.429 3.426 10 0 DGAERO CCc1cc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)nc(C)n1 ZINC000302043086 529531575 /nfs/dbraw/zinc/53/15/75/529531575.db2.gz JBRYETAWGMDPRY-QGZVFWFLSA-N 1 0 302.466 3.192 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)C1 ZINC000170831783 282197044 /nfs/dbraw/zinc/19/70/44/282197044.db2.gz CZGKHFGGUNZSMV-CVEARBPZSA-N 1 0 321.440 3.258 10 0 DGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192352870 282211789 /nfs/dbraw/zinc/21/17/89/282211789.db2.gz YIQQRSCOQUYRBL-LRDDRELGSA-N 1 0 304.434 3.053 10 0 DGAERO CC(C)CCOc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)cc1 ZINC000129473579 432005549 /nfs/dbraw/zinc/00/55/49/432005549.db2.gz SHIUOZYGCUQJFQ-BTYIYWSLSA-N 1 0 311.491 3.358 10 0 DGAERO C[C@H]([NH2+]CC1(C)CCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000090220001 185286989 /nfs/dbraw/zinc/28/69/89/185286989.db2.gz JVQDOYXKDKRCHW-AWEZNQCLSA-N 1 0 322.474 3.067 10 0 DGAERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC2(C)CCC2)cc1 ZINC000090219924 185287111 /nfs/dbraw/zinc/28/71/11/185287111.db2.gz LDFJKYDUPPRGLG-ZDUSSCGKSA-N 1 0 310.463 3.289 10 0 DGAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000090220027 185287122 /nfs/dbraw/zinc/28/71/22/185287122.db2.gz HFEOZDOQJHXXGL-ZDUSSCGKSA-N 1 0 320.433 3.201 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000187759908 282222887 /nfs/dbraw/zinc/22/28/87/282222887.db2.gz VYULLBZZCHWHSY-FUHWJXTLSA-N 1 0 310.445 3.100 10 0 DGAERO Cc1ncc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000090419323 185295342 /nfs/dbraw/zinc/29/53/42/185295342.db2.gz BPNRMKMQKJJFMD-JQWIXIFHSA-N 1 0 322.865 3.429 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cnc(C)s2)C1 ZINC000090419299 185295370 /nfs/dbraw/zinc/29/53/70/185295370.db2.gz VECOUFIXAABDMD-TZMCWYRMSA-N 1 0 317.458 3.390 10 0 DGAERO Cc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)o1 ZINC000092533614 185324607 /nfs/dbraw/zinc/32/46/07/185324607.db2.gz AYXXJSQFVUAMEU-UHFFFAOYSA-N 1 0 324.424 3.389 10 0 DGAERO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)C2(OC)CCOCC2)CCO1 ZINC000453201329 282244705 /nfs/dbraw/zinc/24/47/05/282244705.db2.gz WWNRAIUWOKFGIL-PVAVHDDUSA-N 1 0 313.482 3.144 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000120474146 282262970 /nfs/dbraw/zinc/26/29/70/282262970.db2.gz NZWLXVWNJMNTSW-VOJFVSQTSA-N 1 0 301.409 3.384 10 0 DGAERO Fc1cc(F)cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812411 185343153 /nfs/dbraw/zinc/34/31/53/185343153.db2.gz BEAXYFFPVSHGCM-ZDUSSCGKSA-N 1 0 303.356 3.294 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000092813230 185343263 /nfs/dbraw/zinc/34/32/63/185343263.db2.gz WPVBXCNHHAQXIX-QGZVFWFLSA-N 1 0 311.429 3.333 10 0 DGAERO C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)Cc1ccc(Cl)cc1 ZINC000092883630 185347895 /nfs/dbraw/zinc/34/78/95/185347895.db2.gz NLFBTFLBCZHRCV-CJNGLKHVSA-N 1 0 308.853 3.119 10 0 DGAERO CCc1nc(C(C)C)ccc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000292968689 529715174 /nfs/dbraw/zinc/71/51/74/529715174.db2.gz BXJJLFKSQZFVAD-UHFFFAOYSA-N 1 0 317.477 3.181 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCC(C)(C)CC2)[C@H](C)C1 ZINC000129599037 432006967 /nfs/dbraw/zinc/00/69/67/432006967.db2.gz SQNVSAIKAZYRMM-ZBFHGGJFSA-N 1 0 309.498 3.327 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C12CCCC2 ZINC000181566428 199319324 /nfs/dbraw/zinc/31/93/24/199319324.db2.gz MGNRSACVIGNPLX-SJORKVTESA-N 1 0 307.409 3.145 10 0 DGAERO COC[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000103381319 432007981 /nfs/dbraw/zinc/00/79/81/432007981.db2.gz LTVPESMWGZMMRD-GJZGRUSLSA-N 1 0 304.434 3.140 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)CSc2ccccc2)CC1 ZINC000129678740 432008309 /nfs/dbraw/zinc/00/83/09/432008309.db2.gz XLXZORHXMVXADQ-UHFFFAOYSA-N 1 0 306.475 3.015 10 0 DGAERO C[N@H+](CCCO)Cc1cccc(OCc2ccccc2F)c1 ZINC000442969458 529894001 /nfs/dbraw/zinc/89/40/01/529894001.db2.gz YKZNGGGSGJZNIY-UHFFFAOYSA-N 1 0 303.377 3.219 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2nnc(-c3ccccc3)s2)C1 ZINC000129797496 432008977 /nfs/dbraw/zinc/00/89/77/432008977.db2.gz XSFJDYWFJKMSEQ-OCCSQVGLSA-N 1 0 302.447 3.346 10 0 DGAERO CC[C@H](C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21)[NH+](C)C ZINC000129862565 432009604 /nfs/dbraw/zinc/00/96/04/432009604.db2.gz PHPXASVUGUYADG-HZPDHXFCSA-N 1 0 316.445 3.279 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000103479247 432010158 /nfs/dbraw/zinc/01/01/58/432010158.db2.gz BEKQTZDOXFRWNR-AWEZNQCLSA-N 1 0 317.364 3.034 10 0 DGAERO C[N@H+](CCC(=O)Nc1cccc2ccccc21)C[C@H]1CCCO1 ZINC000103480622 432010510 /nfs/dbraw/zinc/01/05/10/432010510.db2.gz IHCPDOQXGUECDX-MRXNPFEDSA-N 1 0 312.413 3.279 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000103479250 432010609 /nfs/dbraw/zinc/01/06/09/432010609.db2.gz BEKQTZDOXFRWNR-CQSZACIVSA-N 1 0 317.364 3.034 10 0 DGAERO Cc1cccc(OCCC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000129941214 432011322 /nfs/dbraw/zinc/01/13/22/432011322.db2.gz DIRPSYXFBCYWFP-UHFFFAOYSA-N 1 0 318.461 3.001 10 0 DGAERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCCC2)CC1 ZINC000190516040 282360809 /nfs/dbraw/zinc/36/08/09/282360809.db2.gz OEFWVJRWOFQLBS-OAHLLOKOSA-N 1 0 310.482 3.057 10 0 DGAERO CC(C)CC[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)C(C)(C)C ZINC000130024147 432012982 /nfs/dbraw/zinc/01/29/82/432012982.db2.gz OFVQGJURZHGPIH-JKSUJKDBSA-N 1 0 311.514 3.430 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000068258883 190756805 /nfs/dbraw/zinc/75/68/05/190756805.db2.gz UMLUGWHEVLXKQF-KRWDZBQOSA-N 1 0 310.397 3.002 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)Nc1ccnc(Cl)c1)c1ccccc1 ZINC000181859001 199363743 /nfs/dbraw/zinc/36/37/43/199363743.db2.gz WELNSXUIDLPXKO-AWEZNQCLSA-N 1 0 318.808 3.159 10 0 DGAERO CCCC1(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CCC1 ZINC000130114984 432015319 /nfs/dbraw/zinc/01/53/19/432015319.db2.gz NITFCTBQPYKOAJ-HOTGVXAUSA-N 1 0 309.498 3.329 10 0 DGAERO CC(C)(C)c1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000236581412 201929754 /nfs/dbraw/zinc/92/97/54/201929754.db2.gz QOQLBPBCJLGCLC-NVXWUHKLSA-N 1 0 302.462 3.160 10 0 DGAERO CC(C)(CCCc1ccccc1)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236589161 201930176 /nfs/dbraw/zinc/93/01/76/201930176.db2.gz SAMZZZABFSKKQR-IAGOWNOFSA-N 1 0 302.462 3.279 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(CC)CCCC2)[C@@H](C)C1 ZINC000130176600 432016938 /nfs/dbraw/zinc/01/69/38/432016938.db2.gz BAXZTDGIAFUFCZ-JKSUJKDBSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)[C@@H](C)c1ccccc1 ZINC000183355656 199579819 /nfs/dbraw/zinc/57/98/19/199579819.db2.gz ZIUYJYAVUSURSH-HLIPFELVSA-N 1 0 313.441 3.346 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000084062886 192398975 /nfs/dbraw/zinc/39/89/75/192398975.db2.gz WRRDGIJUXLRSAZ-ONGXEEELSA-N 1 0 301.217 3.265 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000084063080 192399362 /nfs/dbraw/zinc/39/93/62/192399362.db2.gz ANFYORAWUAASFP-ZYHUDNBSSA-N 1 0 309.479 3.020 10 0 DGAERO CCc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000140055881 186025430 /nfs/dbraw/zinc/02/54/30/186025430.db2.gz ZSHNUVBNGNXVCJ-OAHLLOKOSA-N 1 0 315.461 3.190 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)sc1Cl ZINC000152413044 186069797 /nfs/dbraw/zinc/06/97/97/186069797.db2.gz WSTKBWZVVJEYEX-JGVFFNPUSA-N 1 0 307.246 3.326 10 0 DGAERO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000152504359 186080361 /nfs/dbraw/zinc/08/03/61/186080361.db2.gz IOSHQWXPJBTJPU-UKRRQHHQSA-N 1 0 322.449 3.103 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c(C)s1 ZINC000171506771 186170599 /nfs/dbraw/zinc/17/05/99/186170599.db2.gz BQDCGDHKJZCFMC-MRXNPFEDSA-N 1 0 318.490 3.485 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)c2ccccc21 ZINC000130444073 432025185 /nfs/dbraw/zinc/02/51/85/432025185.db2.gz VZNQHLBWZBCBFP-RKVPGOIHSA-N 1 0 315.461 3.218 10 0 DGAERO Cc1noc([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)n1 ZINC000179713282 186208775 /nfs/dbraw/zinc/20/87/75/186208775.db2.gz NILINMBGLBEKAG-OAHLLOKOSA-N 1 0 323.400 3.148 10 0 DGAERO Cc1coc2ccc(NC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc12 ZINC000187996692 186240972 /nfs/dbraw/zinc/24/09/72/186240972.db2.gz YKUNBOSZMIHQME-HNNXBMFYSA-N 1 0 313.401 3.443 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3ccccc3)o2)C1 ZINC000188016720 186244487 /nfs/dbraw/zinc/24/44/87/186244487.db2.gz ONUDFSOUINRTOI-KBXCAEBGSA-N 1 0 300.402 3.325 10 0 DGAERO CCOc1cccc2cc([C@@H](C)[NH2+]CCc3nc(C)no3)oc21 ZINC000181927149 186220046 /nfs/dbraw/zinc/22/00/46/186220046.db2.gz FKVYFSVCPSCASJ-LLVKDONJSA-N 1 0 315.373 3.416 10 0 DGAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)CCO2 ZINC000186080735 186238914 /nfs/dbraw/zinc/23/89/14/186238914.db2.gz ZNUMOHPEMVAUAZ-CQSZACIVSA-N 1 0 317.433 3.008 10 0 DGAERO CCCn1cc(CN2CCO[C@H](c3ccc(F)c(C)c3)C2)cn1 ZINC000130450130 432025558 /nfs/dbraw/zinc/02/55/58/432025558.db2.gz QYJMHYOCTJSFDF-SFHVURJKSA-N 1 0 317.408 3.314 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C(C)C ZINC000067041101 432025527 /nfs/dbraw/zinc/02/55/27/432025527.db2.gz XQSQRZRZYWBESD-OAHLLOKOSA-N 1 0 305.466 3.324 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)NCc2cccnc2)cc1 ZINC000171912666 198007035 /nfs/dbraw/zinc/00/70/35/198007035.db2.gz FDZKFTMVCUWDPS-HNNXBMFYSA-N 1 0 311.429 3.172 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)CC2 ZINC000171981101 198019886 /nfs/dbraw/zinc/01/98/86/198019886.db2.gz BIZJJMIEAJXCMD-DOMZBBRYSA-N 1 0 302.397 3.206 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)CC2 ZINC000171981161 198019895 /nfs/dbraw/zinc/01/98/95/198019895.db2.gz MOSTXPKVPBVFPF-YPMHNXCESA-N 1 0 320.387 3.345 10 0 DGAERO CN(C(=O)NCC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172254719 198066653 /nfs/dbraw/zinc/06/66/53/198066653.db2.gz DVPMFNAKXURGKH-UHFFFAOYSA-N 1 0 317.477 3.339 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000172535967 198111781 /nfs/dbraw/zinc/11/17/81/198111781.db2.gz FWPPZJNOPDACFX-AWEZNQCLSA-N 1 0 304.463 3.090 10 0 DGAERO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000172603787 198123095 /nfs/dbraw/zinc/12/30/95/198123095.db2.gz ZJUOYXMFNSUFFO-QWHCGFSZSA-N 1 0 318.442 3.112 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ncsc3c2)[C@H](C)C1 ZINC000172609171 198123414 /nfs/dbraw/zinc/12/34/14/198123414.db2.gz RNUNUBFTLQDOLW-DOMZBBRYSA-N 1 0 317.458 3.099 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3sc(C)nc3C)CC2)cn1 ZINC000172770615 198146661 /nfs/dbraw/zinc/14/66/61/198146661.db2.gz YNFKKQPSNWRRGL-UHFFFAOYSA-N 1 0 304.463 3.356 10 0 DGAERO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCOCC(F)(F)F ZINC000067228604 432028967 /nfs/dbraw/zinc/02/89/67/432028967.db2.gz NWBKRIZDYOHWFZ-DZGCQCFKSA-N 1 0 317.351 3.417 10 0 DGAERO CC[NH+](CC)CCSc1cc(C)nc(-c2cccnc2)n1 ZINC000172821204 198153493 /nfs/dbraw/zinc/15/34/93/198153493.db2.gz JZNCOIVRGCPNEM-UHFFFAOYSA-N 1 0 302.447 3.281 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)NCCc1cccs1 ZINC000172871755 198161325 /nfs/dbraw/zinc/16/13/25/198161325.db2.gz AQOHYMANBONVAH-VXGBXAGGSA-N 1 0 308.472 3.208 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000172922387 198167713 /nfs/dbraw/zinc/16/77/13/198167713.db2.gz GWQZUFNXTMXJFD-CQSZACIVSA-N 1 0 304.463 3.380 10 0 DGAERO Cc1ccc(-c2n[nH]cc2CNC[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC000130780634 432029697 /nfs/dbraw/zinc/02/96/97/432029697.db2.gz WNELBFQSTYJHOD-MRXNPFEDSA-N 1 0 316.449 3.188 10 0 DGAERO CCC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000173446294 198215180 /nfs/dbraw/zinc/21/51/80/198215180.db2.gz DVBASACRDHZLGW-ROUUACIJSA-N 1 0 313.445 3.184 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000173465049 198217383 /nfs/dbraw/zinc/21/73/83/198217383.db2.gz QSYRJBJVZCUOKJ-LSDHHAIUSA-N 1 0 307.438 3.022 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182052296 199379687 /nfs/dbraw/zinc/37/96/87/199379687.db2.gz KHLKZIONZXAYPW-MRXNPFEDSA-N 1 0 302.462 3.102 10 0 DGAERO C[C@@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)Cc1ccccc1 ZINC000182054276 199379911 /nfs/dbraw/zinc/37/99/11/199379911.db2.gz NVKJAQLWEMONTE-GDBMZVCRSA-N 1 0 314.395 3.339 10 0 DGAERO C[C@@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)Cc1ccccc1 ZINC000182054234 199380053 /nfs/dbraw/zinc/38/00/53/199380053.db2.gz NVKJAQLWEMONTE-ZBFHGGJFSA-N 1 0 314.395 3.339 10 0 DGAERO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccnc1 ZINC000173721927 198244515 /nfs/dbraw/zinc/24/45/15/198244515.db2.gz FYSWJXLWGAAYKL-INIZCTEOSA-N 1 0 323.440 3.097 10 0 DGAERO CCN(Cc1cccs1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173985927 198276707 /nfs/dbraw/zinc/27/67/07/198276707.db2.gz GEFHWFVMWQSVKC-GOOCMWNKSA-N 1 0 321.490 3.295 10 0 DGAERO Cc1ccc(C)c(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000174118626 198294276 /nfs/dbraw/zinc/29/42/76/198294276.db2.gz WQELYSGLXQTEQT-MQVJKMGUSA-N 1 0 301.434 3.440 10 0 DGAERO CSc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000174223041 198308427 /nfs/dbraw/zinc/30/84/27/198308427.db2.gz DCNKHVZIYLSQES-OCCSQVGLSA-N 1 0 307.463 3.355 10 0 DGAERO Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000174180806 198302580 /nfs/dbraw/zinc/30/25/80/198302580.db2.gz DZJVVSSVPPEEQH-MSOLQXFVSA-N 1 0 315.461 3.152 10 0 DGAERO O=C(c1csc(C2CC2)n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107530903 432033732 /nfs/dbraw/zinc/03/37/32/432033732.db2.gz SYIWKSSYTHNYPR-CQSZACIVSA-N 1 0 319.474 3.111 10 0 DGAERO O=C(CSc1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107530475 432034086 /nfs/dbraw/zinc/03/40/86/432034086.db2.gz IPTCJGOMLDLUJJ-MRXNPFEDSA-N 1 0 318.486 3.256 10 0 DGAERO C[C@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)Cc1cccc(F)c1 ZINC000073177885 191288951 /nfs/dbraw/zinc/28/89/51/191288951.db2.gz LVFHDZVGASCWJM-HNNXBMFYSA-N 1 0 318.436 3.091 10 0 DGAERO C[NH+]1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1 ZINC000003818916 181046849 /nfs/dbraw/zinc/04/68/49/181046849.db2.gz SKBWGAWCOQBGQJ-UHFFFAOYSA-N 1 0 309.413 3.330 10 0 DGAERO COc1ccc(OC)c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107697235 432037005 /nfs/dbraw/zinc/03/70/05/432037005.db2.gz AHCUHLZCLIGELV-QGZVFWFLSA-N 1 0 318.461 3.154 10 0 DGAERO c1nn(-c2ccccc2)cc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107697460 432037498 /nfs/dbraw/zinc/03/74/98/432037498.db2.gz HFBLDTWIIOZUHK-HXUWFJFHSA-N 1 0 324.472 3.323 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000236781884 202006003 /nfs/dbraw/zinc/00/60/03/202006003.db2.gz KFNFVVXRTHWKFB-BBRMVZONSA-N 1 0 304.434 3.140 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)c(Cl)c1 ZINC000131487963 432038987 /nfs/dbraw/zinc/03/89/87/432038987.db2.gz WBIRXVRYLBDJCB-CHWSQXEVSA-N 1 0 310.800 3.178 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)cc1F ZINC000067766477 432039757 /nfs/dbraw/zinc/03/97/57/432039757.db2.gz ZYIJHQKRDGCXJM-KGLIPLIRSA-N 1 0 322.424 3.132 10 0 DGAERO Fc1ccccc1[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CCCC1 ZINC000180167055 283030349 /nfs/dbraw/zinc/03/03/49/283030349.db2.gz FGWGOCYYXPNCBU-KDOFPFPSSA-N 1 0 314.408 3.253 10 0 DGAERO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(Cl)nc1 ZINC000179105461 432040777 /nfs/dbraw/zinc/04/07/77/432040777.db2.gz DEQKTJCUFWKAHH-ZDUSSCGKSA-N 1 0 316.836 3.450 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1c[nH+]ccc1N(C)C ZINC000183666472 199628451 /nfs/dbraw/zinc/62/84/51/199628451.db2.gz CVELVTGXLONRRR-ZBFHGGJFSA-N 1 0 309.413 3.166 10 0 DGAERO CCc1nc(-c2ccc(Cl)cc2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000073684166 191341158 /nfs/dbraw/zinc/34/11/58/191341158.db2.gz RUADQLJEZCRXLW-CQSZACIVSA-N 1 0 316.836 3.205 10 0 DGAERO [NH3+]C1CCN(c2cc(Cl)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073737633 191349369 /nfs/dbraw/zinc/34/93/69/191349369.db2.gz MVGFYLWKHPVCKA-UHFFFAOYSA-N 1 0 323.227 3.378 10 0 DGAERO Clc1ccc(-c2nc(Cl)cc(N[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000073737677 191349762 /nfs/dbraw/zinc/34/97/62/191349762.db2.gz BTMQUUAYBGTZLH-LLVKDONJSA-N 1 0 309.200 3.224 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2Cc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000179263862 432052169 /nfs/dbraw/zinc/05/21/69/432052169.db2.gz MYGGMTDNXGDRJU-OALUTQOASA-N 1 0 321.424 3.157 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000164999607 432052583 /nfs/dbraw/zinc/05/25/83/432052583.db2.gz BHWOCWIZCDTHHZ-YGRLFVJLSA-N 1 0 313.804 3.329 10 0 DGAERO COc1cc(C[NH2+]C2CC(C)C2)cc(Br)c1O ZINC000080273113 192019040 /nfs/dbraw/zinc/01/90/40/192019040.db2.gz BGWLHEJHVLJEJI-UHFFFAOYSA-N 1 0 300.196 3.051 10 0 DGAERO Cc1cc(C)c(C[N@@H+]2CCOCC3(CCOCC3)C2)c(C)c1 ZINC000184096148 199673280 /nfs/dbraw/zinc/67/32/80/199673280.db2.gz IOGWEZRXFDKPCZ-UHFFFAOYSA-N 1 0 303.446 3.241 10 0 DGAERO COCCO[C@@H]1CCCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000179333371 432054749 /nfs/dbraw/zinc/05/47/49/432054749.db2.gz MJUKAHVGKPUEDC-CYBMUJFWSA-N 1 0 312.479 3.068 10 0 DGAERO C[C@H](CO)[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000132911036 432055234 /nfs/dbraw/zinc/05/52/34/432055234.db2.gz TWFCGZSEHVITQD-CABCVRRESA-N 1 0 315.461 3.276 10 0 DGAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000132910467 432055664 /nfs/dbraw/zinc/05/56/64/432055664.db2.gz TWFCGZSEHVITQD-LSDHHAIUSA-N 1 0 315.461 3.276 10 0 DGAERO CCc1oc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000133088082 432057123 /nfs/dbraw/zinc/05/71/23/432057123.db2.gz ATKMCHSMDHTGGC-UHFFFAOYSA-N 1 0 306.450 3.344 10 0 DGAERO CCc1cccc(CC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000133091430 432057531 /nfs/dbraw/zinc/05/75/31/432057531.db2.gz ZODNWEDTFHXLKC-UHFFFAOYSA-N 1 0 316.489 3.372 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCc3ccccc32)[C@@H]1c1ccccc1 ZINC000179470565 432059287 /nfs/dbraw/zinc/05/92/87/432059287.db2.gz OJOBCBXHAWOXQV-MJGOQNOKSA-N 1 0 321.424 3.204 10 0 DGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc2c(c1)CCN2 ZINC000236861445 202042501 /nfs/dbraw/zinc/04/25/01/202042501.db2.gz ZLCNEQRYTRKPTD-UHFFFAOYSA-N 1 0 317.477 3.095 10 0 DGAERO CCc1ccc(C(=O)CCC(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1 ZINC000236962137 202095218 /nfs/dbraw/zinc/09/52/18/202095218.db2.gz YBTHDMUADKLMNE-LJQANCHMSA-N 1 0 318.461 3.092 10 0 DGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000236979701 202106334 /nfs/dbraw/zinc/10/63/34/202106334.db2.gz FBXMNBFUPMMWPG-BMIGLBTASA-N 1 0 320.824 3.146 10 0 DGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000236995479 202114961 /nfs/dbraw/zinc/11/49/61/202114961.db2.gz UPAJGUFRTBSARE-WBMJQRKESA-N 1 0 318.417 3.430 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)COc1ccc(C)c(C)c1 ZINC000237048466 202134536 /nfs/dbraw/zinc/13/45/36/202134536.db2.gz MGGHILQDSOEUNV-UHFFFAOYSA-N 1 0 312.413 3.430 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC000237065759 202141553 /nfs/dbraw/zinc/14/15/53/202141553.db2.gz PLJJZBDWZGFXOO-CYBMUJFWSA-N 1 0 316.376 3.341 10 0 DGAERO COc1cccc(CN2CCO[C@H](c3ccc(F)c(C)c3)C2)n1 ZINC000179510634 432061012 /nfs/dbraw/zinc/06/10/12/432061012.db2.gz IIYHVJQMVZXYDF-KRWDZBQOSA-N 1 0 316.376 3.111 10 0 DGAERO CCCOc1c(CN2CC[N@@H+]3CCC[C@@H]3C2)cccc1OCC ZINC000179548163 432061766 /nfs/dbraw/zinc/06/17/66/432061766.db2.gz JICPKPIIVXIWNE-QGZVFWFLSA-N 1 0 318.461 3.154 10 0 DGAERO CCc1ccc(CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000237137853 202163812 /nfs/dbraw/zinc/16/38/12/202163812.db2.gz AFDUVSMMZJWTFR-SJORKVTESA-N 1 0 300.446 3.258 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000237184161 202181395 /nfs/dbraw/zinc/18/13/95/202181395.db2.gz HQQRTFHEQSHITL-IIAWOOMASA-N 1 0 304.434 3.358 10 0 DGAERO C[C@@H]1CCC[C@H](C[N@H+](C)C2CCN(CCn3cccn3)CC2)C1 ZINC000133390882 432062648 /nfs/dbraw/zinc/06/26/48/432062648.db2.gz BROHPXFTOSNTND-MSOLQXFVSA-N 1 0 318.509 3.106 10 0 DGAERO CN(C(=O)CC(C)(C)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237200091 202186727 /nfs/dbraw/zinc/18/67/27/202186727.db2.gz OYBKRSQAOFFYQA-SJPCQFCGSA-N 1 0 300.446 3.096 10 0 DGAERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccsc1 ZINC000178039062 198807983 /nfs/dbraw/zinc/80/79/83/198807983.db2.gz UTDZYEXFEZOURE-CZUORRHYSA-N 1 0 302.443 3.098 10 0 DGAERO CCn1cc([C@@H](C)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)cn1 ZINC000167489301 432065936 /nfs/dbraw/zinc/06/59/36/432065936.db2.gz VBYASWFSXXDRBI-TZMCWYRMSA-N 1 0 320.387 3.111 10 0 DGAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(-n2cncn2)cc1 ZINC000178278854 198841535 /nfs/dbraw/zinc/84/15/35/198841535.db2.gz QKCMGJPUULOPQQ-KSSFIOAISA-N 1 0 320.396 3.442 10 0 DGAERO CCCCNc1ccccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000179726203 432068539 /nfs/dbraw/zinc/06/85/39/432068539.db2.gz JBSGAGRPPFVZIS-UHFFFAOYSA-N 1 0 315.461 3.209 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000178444266 198868517 /nfs/dbraw/zinc/86/85/17/198868517.db2.gz QZENUQWBCYSQBD-BZNIZROVSA-N 1 0 307.340 3.358 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000179812073 432071106 /nfs/dbraw/zinc/07/11/06/432071106.db2.gz MIDWPRIGDLGXIZ-HNNXBMFYSA-N 1 0 320.481 3.157 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000179812088 432071189 /nfs/dbraw/zinc/07/11/89/432071189.db2.gz MIDWPRIGDLGXIZ-OAHLLOKOSA-N 1 0 320.481 3.157 10 0 DGAERO Cc1cnccc1NC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000179817309 432071958 /nfs/dbraw/zinc/07/19/58/432071958.db2.gz MVIMZQWFZQSBOL-HNNXBMFYSA-N 1 0 312.417 3.032 10 0 DGAERO CC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)CCCC(=O)N3)[C@H](C)C1 ZINC000179812653 432071977 /nfs/dbraw/zinc/07/19/77/432071977.db2.gz PTCHMXQPIBWJRB-CZUORRHYSA-N 1 0 301.434 3.104 10 0 DGAERO CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CCCC1 ZINC000179486549 199043924 /nfs/dbraw/zinc/04/39/24/199043924.db2.gz JDKCTVZGLFIFFP-SJORKVTESA-N 1 0 301.434 3.016 10 0 DGAERO C/C(=C\c1ccccc1)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000179497793 199045450 /nfs/dbraw/zinc/04/54/50/199045450.db2.gz IAZBPQUVYJPBJP-JQIJEIRASA-N 1 0 308.429 3.456 10 0 DGAERO CCOc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)c1OC ZINC000179545408 199053146 /nfs/dbraw/zinc/05/31/46/199053146.db2.gz LNCCPKNJADCFPI-CQSZACIVSA-N 1 0 324.852 3.027 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2cccnc2)CC1 ZINC000179776195 199079141 /nfs/dbraw/zinc/07/91/41/199079141.db2.gz NSDHQYLBEFMHCI-INIZCTEOSA-N 1 0 310.445 3.397 10 0 DGAERO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000179844103 199087054 /nfs/dbraw/zinc/08/70/54/199087054.db2.gz FAXYOEVQQZUEOO-AWEZNQCLSA-N 1 0 304.434 3.153 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000179932266 199096584 /nfs/dbraw/zinc/09/65/84/199096584.db2.gz BTYCOMLAFFKUJN-WBVHZDCISA-N 1 0 318.461 3.179 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCOCC1 ZINC000179871169 199090121 /nfs/dbraw/zinc/09/01/21/199090121.db2.gz BPLVLXXISWQVHY-BLLLJJGKSA-N 1 0 322.836 3.238 10 0 DGAERO COc1ccc([C@H](C)C[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000179981375 199102558 /nfs/dbraw/zinc/10/25/58/199102558.db2.gz BGPINUDMSLQBOT-OAHLLOKOSA-N 1 0 313.445 3.412 10 0 DGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000180090768 199115637 /nfs/dbraw/zinc/11/56/37/199115637.db2.gz HTQYBESFLGQICD-IMJJTQAJSA-N 1 0 324.490 3.199 10 0 DGAERO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180096015 199117054 /nfs/dbraw/zinc/11/70/54/199117054.db2.gz VZZFNGVMFPOHIU-RTBURBONSA-N 1 0 308.425 3.479 10 0 DGAERO Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180124451 199120566 /nfs/dbraw/zinc/12/05/66/199120566.db2.gz BGEABUAPFJJGPI-UYAOXDASSA-N 1 0 308.425 3.099 10 0 DGAERO CCCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000179945000 432074740 /nfs/dbraw/zinc/07/47/40/432074740.db2.gz XSCFHHIXBJPWLL-HOCLYGCPSA-N 1 0 317.433 3.176 10 0 DGAERO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cnn2ccccc12)c1ccccc1 ZINC000180241426 199135003 /nfs/dbraw/zinc/13/50/03/199135003.db2.gz JABIISAVDVVWJP-QUCCMNQESA-N 1 0 321.424 3.422 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2c(C3CC3)nc3sccn23)CC[N@@H+]1C ZINC000180423125 199157672 /nfs/dbraw/zinc/15/76/72/199157672.db2.gz SXSVARFTDXMOAN-OCCSQVGLSA-N 1 0 318.490 3.188 10 0 DGAERO COc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1Cc1ccccc1 ZINC000237336147 202236489 /nfs/dbraw/zinc/23/64/89/202236489.db2.gz WJSVKHNOSRZPCT-NVXWUHKLSA-N 1 0 324.424 3.352 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)CC2 ZINC000180502005 199168036 /nfs/dbraw/zinc/16/80/36/199168036.db2.gz WVLMJKXMRUEPSU-IAQYHMDHSA-N 1 0 320.387 3.345 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180510728 199169017 /nfs/dbraw/zinc/16/90/17/199169017.db2.gz PTSGLBSVCWZCBI-CHWSQXEVSA-N 1 0 304.463 3.437 10 0 DGAERO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000170652351 432075691 /nfs/dbraw/zinc/07/56/91/432075691.db2.gz UQVZKTCPJWUBFL-HUUCEWRRSA-N 1 0 306.450 3.047 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c2ccccc12 ZINC000180590100 199180389 /nfs/dbraw/zinc/18/03/89/199180389.db2.gz JNNRZURSHVUAPA-UONOGXRCSA-N 1 0 322.412 3.106 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180602988 199183245 /nfs/dbraw/zinc/18/32/45/199183245.db2.gz ZZUNJNSXFWBOEX-PWSUYJOCSA-N 1 0 319.478 3.006 10 0 DGAERO CCCC[N@H+](C)CC1CCN(c2nccnc2OC(C)C)CC1 ZINC000180021468 432076133 /nfs/dbraw/zinc/07/61/33/432076133.db2.gz UACBYWCBQLJRHM-UHFFFAOYSA-N 1 0 320.481 3.212 10 0 DGAERO Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000180092686 432078668 /nfs/dbraw/zinc/07/86/68/432078668.db2.gz SVUGUYZEKOVSJD-KRWDZBQOSA-N 1 0 314.408 3.025 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)CC2 ZINC000180169762 432080500 /nfs/dbraw/zinc/08/05/00/432080500.db2.gz ZZESLTGSVYLTDV-FUHWJXTLSA-N 1 0 310.445 3.457 10 0 DGAERO O=C1C[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CN1C1CC1 ZINC000180186391 432081074 /nfs/dbraw/zinc/08/10/74/432081074.db2.gz GHRSWZNITCMMJP-RHSMWYFYSA-N 1 0 304.821 3.144 10 0 DGAERO COC(=O)c1cc(F)ccc1C[N@@H+]1CCCC[C@@H](SC)C1 ZINC000134609958 432081791 /nfs/dbraw/zinc/08/17/91/432081791.db2.gz KAOHKGJBGMBEDT-CQSZACIVSA-N 1 0 311.422 3.330 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccccc1CCc1ccccc1 ZINC000186717320 199996834 /nfs/dbraw/zinc/99/68/34/199996834.db2.gz PDUNBNNREWXZAD-OXQOHEQNSA-N 1 0 322.452 3.200 10 0 DGAERO CC(C)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c2ccccc2n1 ZINC000186765489 200006188 /nfs/dbraw/zinc/00/61/88/200006188.db2.gz JKYNGZQTKWMIAH-FZKQIMNGSA-N 1 0 311.429 3.086 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000186917243 200030626 /nfs/dbraw/zinc/03/06/26/200030626.db2.gz MGIHAZQQKFOBKB-UONOGXRCSA-N 1 0 309.475 3.113 10 0 DGAERO Cc1ccc([C@H]([NH2+]CCCN2CCCC2=O)C2CCC2)cc1 ZINC000186938981 200034860 /nfs/dbraw/zinc/03/48/60/200034860.db2.gz GBRNFKBAWPHBEH-LJQANCHMSA-N 1 0 300.446 3.438 10 0 DGAERO CC[C@@H]1C[N@H+](CCCCc2ccccc2)CCN1CCOC ZINC000186971478 200041473 /nfs/dbraw/zinc/04/14/73/200041473.db2.gz SWLIBYBFRCDGEM-LJQANCHMSA-N 1 0 304.478 3.052 10 0 DGAERO C[C@@H](C[NH+]1CCN(c2cccnn2)CC1)c1cccc(Cl)c1 ZINC000187112283 200063586 /nfs/dbraw/zinc/06/35/86/200063586.db2.gz OMKDHUMXQCFQDI-AWEZNQCLSA-N 1 0 316.836 3.056 10 0 DGAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000187377840 200104148 /nfs/dbraw/zinc/10/41/48/200104148.db2.gz CNWQRRABJUWEQE-AWEZNQCLSA-N 1 0 321.469 3.024 10 0 DGAERO COc1ccc(-c2ccncc2)cc1C[NH2+]CCn1cc(C)cn1 ZINC000187219718 200079074 /nfs/dbraw/zinc/07/90/74/200079074.db2.gz SAUKVQAPFULGKJ-UHFFFAOYSA-N 1 0 322.412 3.052 10 0 DGAERO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCOC2)o1 ZINC000187291941 200089905 /nfs/dbraw/zinc/08/99/05/200089905.db2.gz NOFVPNMBKAKEKD-CYBMUJFWSA-N 1 0 315.369 3.002 10 0 DGAERO CC1(C)OCc2cc(C[NH2+]CCCc3ccccn3)ccc2O1 ZINC000187485516 200118440 /nfs/dbraw/zinc/11/84/40/200118440.db2.gz SVKWJCRJZZICEF-UHFFFAOYSA-N 1 0 312.413 3.449 10 0 DGAERO COc1ccc(F)cc1C[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000187597581 200131892 /nfs/dbraw/zinc/13/18/92/200131892.db2.gz KIVCCRRZPMOQSY-AWEZNQCLSA-N 1 0 322.424 3.105 10 0 DGAERO CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000187792236 200157711 /nfs/dbraw/zinc/15/77/11/200157711.db2.gz AYQYVIVAPWMLLC-HZPDHXFCSA-N 1 0 317.477 3.464 10 0 DGAERO Cc1ccc(-c2ccsc2C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170857814 432084944 /nfs/dbraw/zinc/08/49/44/432084944.db2.gz XAMVHNVDBJUMJQ-OAHLLOKOSA-N 1 0 314.454 3.500 10 0 DGAERO C[C@H](SCc1ccccc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237519727 202268969 /nfs/dbraw/zinc/26/89/69/202268969.db2.gz CPIYNZHGMJOTMO-JTUUTPGSSA-N 1 0 318.486 3.050 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2csc(-c3ccco3)n2)C1 ZINC000187903964 200174048 /nfs/dbraw/zinc/17/40/48/200174048.db2.gz UKFWCLOJIFVMRO-MLGOLLRUSA-N 1 0 306.431 3.386 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2csc(-c3ccco3)n2)C1 ZINC000187904023 200174242 /nfs/dbraw/zinc/17/42/42/200174242.db2.gz UKFWCLOJIFVMRO-WBMJQRKESA-N 1 0 306.431 3.386 10 0 DGAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000237563114 202284592 /nfs/dbraw/zinc/28/45/92/202284592.db2.gz OLIVGEHBIOHLSS-SWLSCSKDSA-N 1 0 316.376 3.428 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000180391598 432085452 /nfs/dbraw/zinc/08/54/52/432085452.db2.gz JWIBZKSDVZRIOB-CYBMUJFWSA-N 1 0 324.415 3.233 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000188091697 200192088 /nfs/dbraw/zinc/19/20/88/200192088.db2.gz FHRCAWHCROMCAG-UKRRQHHQSA-N 1 0 307.401 3.383 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NC1(C[NH3+])CCCC1 ZINC000237615071 202306300 /nfs/dbraw/zinc/30/63/00/202306300.db2.gz SCZNFVRLYNHJJH-UHFFFAOYSA-N 1 0 307.463 3.110 10 0 DGAERO C[C@@H](SCc1ccccc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237618289 202306506 /nfs/dbraw/zinc/30/65/06/202306506.db2.gz CPIYNZHGMJOTMO-KTFSGNIMSA-N 1 0 318.486 3.050 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC23CCCCC3)CC1 ZINC000180424941 432086043 /nfs/dbraw/zinc/08/60/43/432086043.db2.gz POGUDFMLYNPGIV-UYSNPLJNSA-N 1 0 307.482 3.129 10 0 DGAERO CC(C)(C(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000134785269 432085933 /nfs/dbraw/zinc/08/59/33/432085933.db2.gz VZOMGVRKNLYIKP-UHFFFAOYSA-N 1 0 318.436 3.190 10 0 DGAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](O)CC2CCCC2)c1 ZINC000188631276 200278167 /nfs/dbraw/zinc/27/81/67/200278167.db2.gz IUTYJKXLBLJZIK-FZKQIMNGSA-N 1 0 304.434 3.237 10 0 DGAERO CC(C)[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000170917352 432087323 /nfs/dbraw/zinc/08/73/23/432087323.db2.gz HPAUWLGRWJUYOD-SJLPKXTDSA-N 1 0 316.445 3.137 10 0 DGAERO C[C@H]1CN(C2CC[NH+](CCc3ccccc3Cl)CC2)CCO1 ZINC000170928337 432087570 /nfs/dbraw/zinc/08/75/70/432087570.db2.gz ARGZZIKRAUSQOB-HNNXBMFYSA-N 1 0 322.880 3.068 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421823466 237765695 /nfs/dbraw/zinc/76/56/95/237765695.db2.gz ZRPPLZBDLRMPDF-SFHVURJKSA-N 1 0 318.424 3.305 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000188958213 200326926 /nfs/dbraw/zinc/32/69/26/200326926.db2.gz LLRDBCBQCABIOK-UHFFFAOYSA-N 1 0 305.397 3.029 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000238039754 202424783 /nfs/dbraw/zinc/42/47/83/202424783.db2.gz ZCFJPFVKFQPLQD-BBRMVZONSA-N 1 0 320.864 3.395 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000188927413 200323245 /nfs/dbraw/zinc/32/32/45/200323245.db2.gz UNHDZHKEKKQZMS-LBPRGKRZSA-N 1 0 322.815 3.470 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)CC[C@@H]1C ZINC000189348136 200386114 /nfs/dbraw/zinc/38/61/14/200386114.db2.gz VIOBMFITTNWDLY-BBRMVZONSA-N 1 0 322.474 3.317 10 0 DGAERO COc1c(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c(C)nn1C ZINC000189407509 200396263 /nfs/dbraw/zinc/39/62/63/200396263.db2.gz MUVAVLVOJDFAOK-IRXDYDNUSA-N 1 0 313.445 3.238 10 0 DGAERO CCCCC[C@@H](CC)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000180570120 432090266 /nfs/dbraw/zinc/09/02/66/432090266.db2.gz FUALIMSHLPYBBS-IAGOWNOFSA-N 1 0 324.509 3.305 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@]3(CCOC3)C2)cc2c1OCC2 ZINC000449678962 240363152 /nfs/dbraw/zinc/36/31/52/240363152.db2.gz GUOJUVPTYUAZKC-IBGZPJMESA-N 1 0 301.430 3.057 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000246061223 432090439 /nfs/dbraw/zinc/09/04/39/432090439.db2.gz ZDCUMAPJZNEMPU-LZLYRXPVSA-N 1 0 315.461 3.182 10 0 DGAERO CCOC[C@@H]([NH2+]CC(=O)Nc1c(CC)cccc1CC)C(C)C ZINC000189811215 432092092 /nfs/dbraw/zinc/09/20/92/432092092.db2.gz PLSJMLGIJWEGIR-QGZVFWFLSA-N 1 0 320.477 3.401 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180634377 432092642 /nfs/dbraw/zinc/09/26/42/432092642.db2.gz QYQSKXAWXXZTKJ-ZIAGYGMSSA-N 1 0 314.433 3.076 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1cccc(C)c1)C1CC1)CC2 ZINC000180633021 432092919 /nfs/dbraw/zinc/09/29/19/432092919.db2.gz PDGVXKUSSBNCAO-ROUUACIJSA-N 1 0 324.472 3.075 10 0 DGAERO COCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cccs1 ZINC000435134130 238277982 /nfs/dbraw/zinc/27/79/82/238277982.db2.gz VJZJUUAQSFNMJX-UHFFFAOYSA-N 1 0 317.414 3.380 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nc(C(C)C)nn3C1)CC2 ZINC000180640175 432093647 /nfs/dbraw/zinc/09/36/47/432093647.db2.gz KCMWSJQWRSJTTF-WBVHZDCISA-N 1 0 310.445 3.302 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3ccc(C)cc31)CC2 ZINC000180620967 432094062 /nfs/dbraw/zinc/09/40/62/432094062.db2.gz STZVQWGBSLBQHB-WBVHZDCISA-N 1 0 310.445 3.131 10 0 DGAERO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC12CCC2)c1ccccc1 ZINC000435507592 238314019 /nfs/dbraw/zinc/31/40/19/238314019.db2.gz NBCFTJBUCZQHEF-OAHLLOKOSA-N 1 0 315.461 3.454 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)CSC(C)(C)C)CC2 ZINC000180635806 432094157 /nfs/dbraw/zinc/09/41/57/432094157.db2.gz HSSLKYDWQQFRKL-CHWSQXEVSA-N 1 0 310.511 3.226 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Cl)nc1)CC2 ZINC000180647528 432094709 /nfs/dbraw/zinc/09/47/09/432094709.db2.gz RWTVYSXWWVLPJM-YPMHNXCESA-N 1 0 319.840 3.116 10 0 DGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192358990 200858760 /nfs/dbraw/zinc/85/87/60/200858760.db2.gz KZIRXBLGEHCCQW-IUODEOHRSA-N 1 0 304.434 3.053 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)CCC2 ZINC000192810604 200945924 /nfs/dbraw/zinc/94/59/24/200945924.db2.gz AZFZAHXKAXZMDQ-HNAYVOBHSA-N 1 0 322.456 3.285 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000193260399 201015782 /nfs/dbraw/zinc/01/57/82/201015782.db2.gz ZYALSKLOOPFLNG-UKRRQHHQSA-N 1 0 302.443 3.276 10 0 DGAERO CCC[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1C)[NH+](C)C ZINC000189837082 432096020 /nfs/dbraw/zinc/09/60/20/432096020.db2.gz IJLDSRCZBJATKN-AWEZNQCLSA-N 1 0 316.367 3.360 10 0 DGAERO Clc1ccc([C@H]2CN(CCC[NH+]3CCCC3)CCO2)cc1 ZINC000193475273 201059627 /nfs/dbraw/zinc/05/96/27/201059627.db2.gz TUEMSTYQGYOPPU-QGZVFWFLSA-N 1 0 308.853 3.199 10 0 DGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000193564029 201075743 /nfs/dbraw/zinc/07/57/43/201075743.db2.gz YKLSABZQQZZLEK-DNVCBOLYSA-N 1 0 324.424 3.136 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC000246117093 432096680 /nfs/dbraw/zinc/09/66/80/432096680.db2.gz IDRHSYYBQSLSMC-ICAOIODUSA-N 1 0 307.482 3.126 10 0 DGAERO CC(=O)c1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1C ZINC000193718191 201109783 /nfs/dbraw/zinc/10/97/83/201109783.db2.gz PSOQRNIMFVRAKQ-LJQANCHMSA-N 1 0 324.424 3.230 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC2(SC)CC2)cc1NC(C)=O ZINC000193825754 201129851 /nfs/dbraw/zinc/12/98/51/201129851.db2.gz TZOIZLPCJPYNFS-LLVKDONJSA-N 1 0 308.447 3.200 10 0 DGAERO C=Cn1cc(C[N@H+]2CCC[C@H](c3nc(CC)cs3)C2)cn1 ZINC000193845230 201132405 /nfs/dbraw/zinc/13/24/05/201132405.db2.gz JAUVZKHBKXGFFP-AWEZNQCLSA-N 1 0 302.447 3.382 10 0 DGAERO O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000193897048 201140126 /nfs/dbraw/zinc/14/01/26/201140126.db2.gz NBFYIMKCENYJKI-KCXAZCMYSA-N 1 0 311.385 3.201 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+]CC[C@@H](C)c1ccccc1)CC2 ZINC000194338506 201206791 /nfs/dbraw/zinc/20/67/91/201206791.db2.gz MAFXACSYNAAAMX-WBVHZDCISA-N 1 0 312.461 3.500 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+]CC[C@H](C)c1ccccc1)CC2 ZINC000194338520 201206854 /nfs/dbraw/zinc/20/68/54/201206854.db2.gz MAFXACSYNAAAMX-DOTOQJQBSA-N 1 0 312.461 3.500 10 0 DGAERO c1cc(-c2ccc(C[NH2+]CCc3ccc4[nH]ccc4c3)o2)n[nH]1 ZINC000441215081 239024392 /nfs/dbraw/zinc/02/43/92/239024392.db2.gz ZVSCJAWPQUFVGU-UHFFFAOYSA-N 1 0 306.369 3.483 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000171052265 432098255 /nfs/dbraw/zinc/09/82/55/432098255.db2.gz UOJZVOXVPRKGQH-JMPLCFMRSA-N 1 0 310.445 3.409 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000171052263 432098734 /nfs/dbraw/zinc/09/87/34/432098734.db2.gz UOJZVOXVPRKGQH-GSPCDJLXSA-N 1 0 310.445 3.409 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000246124634 432099053 /nfs/dbraw/zinc/09/90/53/432099053.db2.gz QWLBHYMSITXNRO-TZMCWYRMSA-N 1 0 320.868 3.362 10 0 DGAERO CS[C@@H]1CCCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000195045595 201331573 /nfs/dbraw/zinc/33/15/73/201331573.db2.gz GYBMCGMUMGZARL-CYBMUJFWSA-N 1 0 322.499 3.318 10 0 DGAERO CCC(CC)[N@H+](CCOC)Cc1ccc2c(c1)sc(=O)n2C ZINC000194990785 201323839 /nfs/dbraw/zinc/32/38/39/201323839.db2.gz JSGMXGVDASHPFL-UHFFFAOYSA-N 1 0 322.474 3.237 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000443000155 239161306 /nfs/dbraw/zinc/16/13/06/239161306.db2.gz IUENMGIJARATCG-JTQLQIEISA-N 1 0 301.230 3.027 10 0 DGAERO CC[C@H](C)CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189883119 432099548 /nfs/dbraw/zinc/09/95/48/432099548.db2.gz DBNPIMOYFDBUSS-XNJJOIOASA-N 1 0 310.388 3.262 10 0 DGAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000195299498 201375640 /nfs/dbraw/zinc/37/56/40/201375640.db2.gz MCLAMEAKUDSNCJ-IBGZPJMESA-N 1 0 301.478 3.416 10 0 DGAERO c1cn(-c2csc(C[NH2+]Cc3ccc4c(n3)CCCC4)c2)cn1 ZINC000444008345 239249869 /nfs/dbraw/zinc/24/98/69/239249869.db2.gz HUBDOBTYHZNHGA-UHFFFAOYSA-N 1 0 324.453 3.497 10 0 DGAERO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc2ccccc21 ZINC000090882388 192940225 /nfs/dbraw/zinc/94/02/25/192940225.db2.gz JUHVRTJLOUHIKT-AWEZNQCLSA-N 1 0 317.454 3.315 10 0 DGAERO c1csc([C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CCO2)c1 ZINC000268528999 432100488 /nfs/dbraw/zinc/10/04/88/432100488.db2.gz YKGZHUDNGXSNRU-QGZVFWFLSA-N 1 0 315.438 3.299 10 0 DGAERO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189900786 432103036 /nfs/dbraw/zinc/10/30/36/432103036.db2.gz IDEYJIBZURGBOJ-JXFKEZNVSA-N 1 0 321.424 3.431 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCO[C@@H](c3cncn3C)C2)o1 ZINC000275515166 212387184 /nfs/dbraw/zinc/38/71/84/212387184.db2.gz KQSDZTDHUFFIIR-VAGZCVSGSA-N 1 0 315.417 3.146 10 0 DGAERO CCO[C@H](C)c1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)cs1 ZINC000246180612 432103909 /nfs/dbraw/zinc/10/39/09/432103909.db2.gz KEEQCFHVZRELNP-BMFZPTHFSA-N 1 0 323.506 3.299 10 0 DGAERO c1c2cccnc2oc1C[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000449186551 240057291 /nfs/dbraw/zinc/05/72/91/240057291.db2.gz HTMDVHNEGHBLGX-UHFFFAOYSA-N 1 0 324.380 3.321 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1cccs1 ZINC000171112124 432104530 /nfs/dbraw/zinc/10/45/30/432104530.db2.gz QWLCLGFYAMTHIA-JTQLQIEISA-N 1 0 307.419 3.323 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@H]2CCCC23CCC3)n1 ZINC000449272301 240102215 /nfs/dbraw/zinc/10/22/15/240102215.db2.gz VOWUJKGRIUSYIZ-ZDUSSCGKSA-N 1 0 308.447 3.175 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1cccs1 ZINC000171111051 432104801 /nfs/dbraw/zinc/10/48/01/432104801.db2.gz UXBHECQJLZKIHD-ZDUSSCGKSA-N 1 0 300.427 3.378 10 0 DGAERO c1cc(Sc2ccccn2)oc1C[NH2+]CC1=CCOCC1 ZINC000449404817 240180494 /nfs/dbraw/zinc/18/04/94/240180494.db2.gz WHKXXFRWRTXLDZ-UHFFFAOYSA-N 1 0 302.399 3.262 10 0 DGAERO O[C@@H](CC[NH2+]Cc1cc(Cl)sc1Cl)C(F)(F)F ZINC000449325714 240131823 /nfs/dbraw/zinc/13/18/23/240131823.db2.gz PANXACJDJBCCEK-LURJTMIESA-N 1 0 308.152 3.458 10 0 DGAERO COCc1ccsc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000180901151 432105073 /nfs/dbraw/zinc/10/50/73/432105073.db2.gz CGFCFJUUZRJJEP-CYBMUJFWSA-N 1 0 324.490 3.135 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2ccsc2)c(OC)c1 ZINC000449466769 240224488 /nfs/dbraw/zinc/22/44/88/240224488.db2.gz ILWDZOUVUHFUCS-LBPRGKRZSA-N 1 0 321.442 3.495 10 0 DGAERO COc1ccc(OC)c(C[NH2+]C[C@](C)(OC)c2ccccc2)c1 ZINC000449487200 240238626 /nfs/dbraw/zinc/23/86/26/240238626.db2.gz WXHRDLDFVOXZCY-IBGZPJMESA-N 1 0 315.413 3.355 10 0 DGAERO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000449584038 240303993 /nfs/dbraw/zinc/30/39/93/240303993.db2.gz JCDJOSHZLLVICK-ZDUSSCGKSA-N 1 0 312.442 3.264 10 0 DGAERO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000449584653 240304683 /nfs/dbraw/zinc/30/46/83/240304683.db2.gz DJCCWXGMJAQAKW-LSDHHAIUSA-N 1 0 302.443 3.451 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449684682 240369134 /nfs/dbraw/zinc/36/91/34/240369134.db2.gz LUUYJFZGTGCZJX-KRWDZBQOSA-N 1 0 315.442 3.208 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000449730632 240387995 /nfs/dbraw/zinc/38/79/95/240387995.db2.gz FQUUCZXMZORCSD-KRWDZBQOSA-N 1 0 307.459 3.423 10 0 DGAERO Cc1nc(C)c(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)s1 ZINC000076868711 283842938 /nfs/dbraw/zinc/84/29/38/283842938.db2.gz NEBNGNHAXMUYNJ-UHFFFAOYSA-N 1 0 313.467 3.153 10 0 DGAERO CC(C)[C@@H]([NH2+]CCOCCO)c1ccc(Cl)c(Cl)c1 ZINC000091265184 193027838 /nfs/dbraw/zinc/02/78/38/193027838.db2.gz RROIHWOSTHAGOU-CQSZACIVSA-N 1 0 306.233 3.289 10 0 DGAERO CN1C[C@@H]([NH2+][C@@H](c2ccccc2F)C2CCCC2)CCC1=O ZINC000091344139 193043095 /nfs/dbraw/zinc/04/30/95/193043095.db2.gz RNVGMZOHZGAQFM-KBXCAEBGSA-N 1 0 304.409 3.267 10 0 DGAERO C([C@H]1CCCN(c2nc(C3CCC3)no2)C1)[NH+]1CCCCCC1 ZINC000450311630 240648001 /nfs/dbraw/zinc/64/80/01/240648001.db2.gz DROSQPMKSUMYEF-OAHLLOKOSA-N 1 0 318.465 3.430 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000091667357 193088260 /nfs/dbraw/zinc/08/82/60/193088260.db2.gz KIVBNVUINCXBAB-WFASDCNBSA-N 1 0 317.260 3.365 10 0 DGAERO C[NH+](C)C1CCN(Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000091672245 193089205 /nfs/dbraw/zinc/08/92/05/193089205.db2.gz VLZQHRAGYDTMAS-UHFFFAOYSA-N 1 0 318.795 3.467 10 0 DGAERO CCOC[C@@H]1CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091675514 193089597 /nfs/dbraw/zinc/08/95/97/193089597.db2.gz WTKQFOOINDQAGE-CJNGLKHVSA-N 1 0 322.836 3.191 10 0 DGAERO COCCCCC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000091689683 193092071 /nfs/dbraw/zinc/09/20/71/193092071.db2.gz AZCRKMKXTOHPHL-MRXNPFEDSA-N 1 0 308.441 3.321 10 0 DGAERO COC[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)C(C)C ZINC000091739296 193100247 /nfs/dbraw/zinc/10/02/47/193100247.db2.gz CVDXRTAHMCNRIW-INIZCTEOSA-N 1 0 306.381 3.284 10 0 DGAERO Clc1cc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)ccn1 ZINC000091630416 193081136 /nfs/dbraw/zinc/08/11/36/193081136.db2.gz PFVZXLJVBAOSHD-ZDUSSCGKSA-N 1 0 317.824 3.041 10 0 DGAERO CC[C@](C)(CCO)[NH2+]Cc1ccc(Br)cc1OC ZINC000180959582 432107548 /nfs/dbraw/zinc/10/75/48/432107548.db2.gz YBFSOAWCZRCILX-CQSZACIVSA-N 1 0 316.239 3.098 10 0 DGAERO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000451179619 241035936 /nfs/dbraw/zinc/03/59/36/241035936.db2.gz FAOGYPBBLKESAQ-RVKKMQEKSA-N 1 0 300.446 3.121 10 0 DGAERO CCOc1cc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)C)ccc1OC ZINC000275311203 212265413 /nfs/dbraw/zinc/26/54/13/212265413.db2.gz NXQDGDAQEOXUIR-CRAIPNDOSA-N 1 0 307.434 3.245 10 0 DGAERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1CCC(F)(F)CC1 ZINC000452344196 241393294 /nfs/dbraw/zinc/39/32/94/241393294.db2.gz NDGZWQQLQNXNSQ-HNNXBMFYSA-N 1 0 316.436 3.439 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCO[C@H](C)CC(C)C)[C@H](C)C1 ZINC000246230536 432110509 /nfs/dbraw/zinc/11/05/09/432110509.db2.gz XEODTAPLZMOKMW-ZACQAIPSSA-N 1 0 312.498 3.016 10 0 DGAERO COc1cccc([C@H](C)[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000081643433 283924043 /nfs/dbraw/zinc/92/40/43/283924043.db2.gz LTZHKXPAAGCUTM-HNNXBMFYSA-N 1 0 312.413 3.284 10 0 DGAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000453364382 241744949 /nfs/dbraw/zinc/74/49/49/241744949.db2.gz KZPWSUWQYWBFEY-XGXHKWSGSA-N 1 0 303.446 3.295 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cs1 ZINC000453221256 241676585 /nfs/dbraw/zinc/67/65/85/241676585.db2.gz RTGFKBXBYCGBDT-SQWLQELKSA-N 1 0 309.475 3.275 10 0 DGAERO Cc1cccnc1NC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000181028306 432110951 /nfs/dbraw/zinc/11/09/51/432110951.db2.gz RHMOKWIDBJPDRP-HNNXBMFYSA-N 1 0 312.417 3.032 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(Cl)c2F)C1 ZINC000246286513 432114229 /nfs/dbraw/zinc/11/42/29/432114229.db2.gz CBEQGSMYFFEBDL-GXFFZTMASA-N 1 0 313.804 3.329 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000246269713 432113851 /nfs/dbraw/zinc/11/38/51/432113851.db2.gz LSUGDSSFPMWEJX-FSQOXLJWSA-N 1 0 306.837 3.281 10 0 DGAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000092100194 193158157 /nfs/dbraw/zinc/15/81/57/193158157.db2.gz SCHPFGGHARBZTR-HNNXBMFYSA-N 1 0 318.417 3.265 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3ccccc3cc2O)C1 ZINC000246284309 432115240 /nfs/dbraw/zinc/11/52/40/432115240.db2.gz MTLXGUDMXDBWEX-FUHWJXTLSA-N 1 0 324.424 3.102 10 0 DGAERO C[NH+](C)CC(C)(C)NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000457213817 242691206 /nfs/dbraw/zinc/69/12/06/242691206.db2.gz VDPRPERWSUMRIZ-UHFFFAOYSA-N 1 0 321.808 3.065 10 0 DGAERO CN(CC1CC[NH+](C)CC1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000103450938 284030239 /nfs/dbraw/zinc/03/02/39/284030239.db2.gz LVPXEMHGPFXOEY-FQEVSTJZSA-N 1 0 314.473 3.081 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccn1 ZINC000090943015 299385508 /nfs/dbraw/zinc/38/55/08/299385508.db2.gz YLSGVYRQLOPZPU-JBBXEZCESA-N 1 0 317.383 3.456 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCC[C@H]1O)c1ccc(Br)s1 ZINC000251507433 202825021 /nfs/dbraw/zinc/82/50/21/202825021.db2.gz HLVQLWNFCRLFDK-IVZWLZJFSA-N 1 0 304.253 3.322 10 0 DGAERO Cn1c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nnc1-c1ccccc1 ZINC000107299947 284053359 /nfs/dbraw/zinc/05/33/59/284053359.db2.gz YGPTWQZTJTUAQK-GOSISDBHSA-N 1 0 318.424 3.472 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000459240958 243297643 /nfs/dbraw/zinc/29/76/43/243297643.db2.gz FZYWZMXDTSWLRN-AEFFLSMTSA-N 1 0 309.498 3.184 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108589086 284062808 /nfs/dbraw/zinc/06/28/08/284062808.db2.gz TZBAXULONQLKTJ-UONOGXRCSA-N 1 0 323.868 3.384 10 0 DGAERO C[N@H+](CC1CCC(F)(F)CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000459341430 243342274 /nfs/dbraw/zinc/34/22/74/243342274.db2.gz WGQGTCNTQYZTMY-HNNXBMFYSA-N 1 0 324.419 3.203 10 0 DGAERO Oc1cccc(C[NH2+]CCCc2ccccn2)c1Br ZINC000459450829 243374772 /nfs/dbraw/zinc/37/47/72/243374772.db2.gz PCLNJCLYTDKCEY-UHFFFAOYSA-N 1 0 321.218 3.272 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)[C@H]1Sc1ccccc1 ZINC000459494298 243389440 /nfs/dbraw/zinc/38/94/40/243389440.db2.gz JGIGVQRMHPICJB-IHWGESPNSA-N 1 0 309.475 3.338 10 0 DGAERO Cc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000459426094 243366613 /nfs/dbraw/zinc/36/66/13/243366613.db2.gz ICHGUJBMCPIZNY-XJKSGUPXSA-N 1 0 305.447 3.217 10 0 DGAERO C[N@H+](Cc1cc(Cl)ccc1OC(F)F)CC1(CO)CC1 ZINC000190042130 432118041 /nfs/dbraw/zinc/11/80/41/432118041.db2.gz NGPLXYFMNBLAIL-UHFFFAOYSA-N 1 0 305.752 3.146 10 0 DGAERO CCCOc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1OCC ZINC000092970179 193190069 /nfs/dbraw/zinc/19/00/69/193190069.db2.gz YKCNRFWKGQYJRU-OAHLLOKOSA-N 1 0 321.461 3.467 10 0 DGAERO CCC[N@H+](CCc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000113518191 284102587 /nfs/dbraw/zinc/10/25/87/284102587.db2.gz UIHDIOTUEJXJRE-KRWDZBQOSA-N 1 0 311.441 3.256 10 0 DGAERO CCc1ccc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)s1 ZINC000246319244 432118648 /nfs/dbraw/zinc/11/86/48/432118648.db2.gz NWOFEZKTLAWWPM-KGLIPLIRSA-N 1 0 321.490 3.079 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc2ccccc21 ZINC000113606704 284103003 /nfs/dbraw/zinc/10/30/03/284103003.db2.gz PWMNEBGNOPNNDN-CRAIPNDOSA-N 1 0 323.440 3.218 10 0 DGAERO CC[C@H]1CCC[C@H](NC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000465988925 243884123 /nfs/dbraw/zinc/88/41/23/243884123.db2.gz ZZQRIJXQMIZHCY-RDJZCZTQSA-N 1 0 309.498 3.376 10 0 DGAERO CCOC(=O)C[C@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000261507863 203074332 /nfs/dbraw/zinc/07/43/32/203074332.db2.gz NAIATOCATVFQOZ-QGZVFWFLSA-N 1 0 313.397 3.261 10 0 DGAERO CC(C)(C)[NH2+]CCNC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000469264984 244093175 /nfs/dbraw/zinc/09/31/75/244093175.db2.gz RODUXJAQNJVRLA-UHFFFAOYSA-N 1 0 316.367 3.142 10 0 DGAERO FC(F)(F)C(F)(F)COCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000469722088 244117910 /nfs/dbraw/zinc/11/79/10/244117910.db2.gz VVTLVNKVZOUMGZ-PHIMTYICSA-N 1 0 301.299 3.323 10 0 DGAERO CCc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC000093092634 193202855 /nfs/dbraw/zinc/20/28/55/193202855.db2.gz SHIXWOADFFAWRX-SWLSCSKDSA-N 1 0 305.397 3.089 10 0 DGAERO O=C1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)s2)CCN1 ZINC000093101603 193202883 /nfs/dbraw/zinc/20/28/83/193202883.db2.gz KUMLJPWESCLFAV-UHFFFAOYSA-N 1 0 320.845 3.390 10 0 DGAERO Cc1c(N[C@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccccc1F ZINC000181241432 432119777 /nfs/dbraw/zinc/11/97/77/432119777.db2.gz JXUIIBFLMKZGQS-OCCSQVGLSA-N 1 0 302.397 3.214 10 0 DGAERO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)NCC1CCCCC1 ZINC000470957000 244199875 /nfs/dbraw/zinc/19/98/75/244199875.db2.gz VDXMGKCYVAKKIO-GXTWGEPZSA-N 1 0 320.399 3.346 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246331945 432119736 /nfs/dbraw/zinc/11/97/36/432119736.db2.gz BNKUFQFJXHCLDR-QXSJWSMHSA-N 1 0 309.498 3.325 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000471819985 244251922 /nfs/dbraw/zinc/25/19/22/244251922.db2.gz LAADLRMHOHDDCF-JKSUJKDBSA-N 1 0 305.418 3.299 10 0 DGAERO CO[C@H]1CC[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000471826261 244254396 /nfs/dbraw/zinc/25/43/96/244254396.db2.gz XQDILMGKNOCVNN-ROUUACIJSA-N 1 0 312.413 3.318 10 0 DGAERO CO[C@H]1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000471823917 244255692 /nfs/dbraw/zinc/25/56/92/244255692.db2.gz QZYFGSSUCDTILH-MSOLQXFVSA-N 1 0 313.445 3.205 10 0 DGAERO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1C[C@H]1C ZINC000471604707 244221724 /nfs/dbraw/zinc/22/17/24/244221724.db2.gz KEPZINICXRVNBR-RBSFLKMASA-N 1 0 314.429 3.087 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCCC(C)(C)CC2)CC1 ZINC000119133397 284135639 /nfs/dbraw/zinc/13/56/39/284135639.db2.gz AKSUXJCWHHRTBM-UHFFFAOYSA-N 1 0 309.498 3.329 10 0 DGAERO Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262326610 203262639 /nfs/dbraw/zinc/26/26/39/203262639.db2.gz DKYBMDDITHFUDT-XYJFISCASA-N 1 0 300.446 3.355 10 0 DGAERO COC1(C[NH2+]CC2CCN(c3ccccc3)CC2)CCCC1 ZINC000475280457 244459933 /nfs/dbraw/zinc/45/99/33/244459933.db2.gz NREAAAAGKXGFKE-UHFFFAOYSA-N 1 0 302.462 3.452 10 0 DGAERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1OC(C)C ZINC000093437318 193251210 /nfs/dbraw/zinc/25/12/10/193251210.db2.gz SSCVBGIHRFETGD-NVXWUHKLSA-N 1 0 318.461 3.151 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(-c2ccccn2)c1 ZINC000093437547 193251732 /nfs/dbraw/zinc/25/17/32/193251732.db2.gz ACGXRGQMZSMVAT-VQIMIIECSA-N 1 0 307.441 3.417 10 0 DGAERO COc1cc(C[N@H+](C)[C@H](C)CCSC)cc2c1OCCO2 ZINC000093558680 193267135 /nfs/dbraw/zinc/26/71/35/193267135.db2.gz NKYSTVCFZMRNBN-GFCCVEGCSA-N 1 0 311.447 3.040 10 0 DGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(C(N)=O)cs2)C12CCCC2 ZINC000093611143 193273590 /nfs/dbraw/zinc/27/35/90/193273590.db2.gz LZSOUIFKQJYDAX-GJZGRUSLSA-N 1 0 322.474 3.017 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000120391014 284168096 /nfs/dbraw/zinc/16/80/96/284168096.db2.gz TUWGGJPYCZRCSS-WBVHZDCISA-N 1 0 303.450 3.497 10 0 DGAERO COc1c(C[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)c(C)nn1C ZINC000093735861 193298502 /nfs/dbraw/zinc/29/85/02/193298502.db2.gz WMDLFHAFXNDAPM-YVEFUNNKSA-N 1 0 317.408 3.459 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C/C=C/c2ccccc2OC)C1 ZINC000093742235 193298995 /nfs/dbraw/zinc/29/89/95/193298995.db2.gz QZQOABMYOGCQBJ-LKUPDRCFSA-N 1 0 302.462 3.372 10 0 DGAERO CCc1nn(C)c(CC)c1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000093666281 193287365 /nfs/dbraw/zinc/28/73/65/193287365.db2.gz LCVQIHHSJRPCKY-INIZCTEOSA-N 1 0 319.493 3.469 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3cncs3)C2)c1 ZINC000093837946 193314467 /nfs/dbraw/zinc/31/44/67/193314467.db2.gz WHLVQCPBHMPBDM-LBPRGKRZSA-N 1 0 304.415 3.150 10 0 DGAERO COc1cc(NC2CC[NH+](Cc3cc[nH]c3)CC2)cc(OC)c1 ZINC000093837680 193314968 /nfs/dbraw/zinc/31/49/68/193314968.db2.gz MCGZSBUOEYFOAU-UHFFFAOYSA-N 1 0 315.417 3.108 10 0 DGAERO C[N@@H+](Cc1ccc(-c2ccncc2)cc1F)C[C@H]1CCOC1 ZINC000093839675 193316452 /nfs/dbraw/zinc/31/64/52/193316452.db2.gz RTBMRTZHDWSMNZ-CQSZACIVSA-N 1 0 300.377 3.356 10 0 DGAERO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H](C)CS(C)(=O)=O ZINC000120560673 284172564 /nfs/dbraw/zinc/17/25/64/284172564.db2.gz SCOZEVDCPBCBBG-WBVHZDCISA-N 1 0 311.491 3.010 10 0 DGAERO C[N@@H+](Cc1cc(F)cc(Br)c1)C[C@@H]1CCCO1 ZINC000093938882 193329942 /nfs/dbraw/zinc/32/99/42/193329942.db2.gz GASKZMUZLUXRTJ-ZDUSSCGKSA-N 1 0 302.187 3.199 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(C)(C)c2cccs2)C1 ZINC000120697971 284176299 /nfs/dbraw/zinc/17/62/99/284176299.db2.gz AOWQTDIVKVUPMB-KGLIPLIRSA-N 1 0 323.506 3.054 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(Cl)s1 ZINC000094369538 193366948 /nfs/dbraw/zinc/36/69/48/193366948.db2.gz YSBTYJZKPPPTQZ-COPLHBTASA-N 1 0 301.839 3.390 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000120973078 284183910 /nfs/dbraw/zinc/18/39/10/284183910.db2.gz ZALYUKQLPSMFJD-KBPBESRZSA-N 1 0 304.434 3.438 10 0 DGAERO Brc1ccc(COCCC[C@H]2CCCC[NH2+]2)cn1 ZINC000095092445 193423161 /nfs/dbraw/zinc/42/31/61/193423161.db2.gz CKRFKYWKUJTPOV-CYBMUJFWSA-N 1 0 313.239 3.283 10 0 DGAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(C)cc1 ZINC000246338902 432121503 /nfs/dbraw/zinc/12/15/03/432121503.db2.gz BPCHJOXUVQCPTJ-ZWKOTPCHSA-N 1 0 315.461 3.326 10 0 DGAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000121609517 284201951 /nfs/dbraw/zinc/20/19/51/284201951.db2.gz BJUJQPXRPRXXCD-HUUCEWRRSA-N 1 0 306.450 3.287 10 0 DGAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000121609341 284202070 /nfs/dbraw/zinc/20/20/70/284202070.db2.gz BJUJQPXRPRXXCD-GJZGRUSLSA-N 1 0 306.450 3.287 10 0 DGAERO CC[C@]1(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000122016574 284211441 /nfs/dbraw/zinc/21/14/41/284211441.db2.gz LHLGUMOVDJBUBK-CQSZACIVSA-N 1 0 300.324 3.485 10 0 DGAERO Cn1ncc(Br)c1C[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000487280150 245042950 /nfs/dbraw/zinc/04/29/50/245042950.db2.gz QWLBUUWDTBANOI-YPMHNXCESA-N 1 0 312.255 3.241 10 0 DGAERO Cn1ncc(Br)c1C[NH2+]CC(C)(C)C1CCCC1 ZINC000487547745 245074485 /nfs/dbraw/zinc/07/44/85/245074485.db2.gz IJEYECBBOVUILQ-UHFFFAOYSA-N 1 0 314.271 3.489 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000120016709 299416047 /nfs/dbraw/zinc/41/60/47/299416047.db2.gz KHQSIEQNUWQJQU-WWGRRREGSA-N 1 0 324.490 3.199 10 0 DGAERO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000190104626 432123337 /nfs/dbraw/zinc/12/33/37/432123337.db2.gz WNQLPTUDBSPGNB-HNNXBMFYSA-N 1 0 307.438 3.166 10 0 DGAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246362141 432123381 /nfs/dbraw/zinc/12/33/81/432123381.db2.gz NIHQJCZDIMWHOD-AAEUAGOBSA-N 1 0 317.260 3.317 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3[NH2+]CCN1CCCC1)CCCC2 ZINC000489611725 245329753 /nfs/dbraw/zinc/32/97/53/245329753.db2.gz XGPZACJUMUQTAE-IBGZPJMESA-N 1 0 314.473 3.465 10 0 DGAERO Cc1[nH]ccc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246366123 432123937 /nfs/dbraw/zinc/12/39/37/432123937.db2.gz NLUOFYKFNZKPOQ-GDBMZVCRSA-N 1 0 303.450 3.050 10 0 DGAERO Cc1ccc(C[C@@H](C)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000181352158 432124374 /nfs/dbraw/zinc/12/43/74/432124374.db2.gz APPDODPFXFPDOH-IPJUCJBFSA-N 1 0 316.489 3.410 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000124830428 284265043 /nfs/dbraw/zinc/26/50/43/284265043.db2.gz KKQUXFKEKNUPNX-MSOLQXFVSA-N 1 0 317.477 3.162 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2F)C1 ZINC000125258010 284272109 /nfs/dbraw/zinc/27/21/09/284272109.db2.gz VSXRKQVGCRJANW-OAHLLOKOSA-N 1 0 320.452 3.340 10 0 DGAERO CN(Cc1ccccc1F)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125131803 284270352 /nfs/dbraw/zinc/27/03/52/284270352.db2.gz GHNDTVKTJKQCHC-UHFFFAOYSA-N 1 0 321.440 3.088 10 0 DGAERO O=C(c1cc(Cl)ccc1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186540680 296171986 /nfs/dbraw/zinc/17/19/86/296171986.db2.gz RTMQLEXVPRGFOY-NSHDSACASA-N 1 0 313.228 3.350 10 0 DGAERO O=C(Nc1cc(F)cc(F)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107806669 284280809 /nfs/dbraw/zinc/28/08/09/284280809.db2.gz BQMJJYNHFGHBRV-MRXNPFEDSA-N 1 0 323.387 3.447 10 0 DGAERO C[C@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)CS(C)(=O)=O ZINC000181358229 432126459 /nfs/dbraw/zinc/12/64/59/432126459.db2.gz LHAANPLESFOQPU-RHSMWYFYSA-N 1 0 309.475 3.188 10 0 DGAERO CN(CC1CC1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000127337694 284336092 /nfs/dbraw/zinc/33/60/92/284336092.db2.gz ANTFVLAWXPOSCS-GOSISDBHSA-N 1 0 315.461 3.093 10 0 DGAERO c1ccc(C2CC(C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000282755800 217227977 /nfs/dbraw/zinc/22/79/77/217227977.db2.gz BBKDMPJXGHAQTH-UHFFFAOYSA-N 1 0 301.430 3.456 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1cccs1)CC2 ZINC000246419085 432127828 /nfs/dbraw/zinc/12/78/28/432127828.db2.gz SKNHVVGGQLERAJ-ZNMIVQPWSA-N 1 0 321.490 3.466 10 0 DGAERO O=C(Nc1cccc2[nH]ccc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171542386 284353780 /nfs/dbraw/zinc/35/37/80/284353780.db2.gz WETXLCZQRJNGMD-AWEZNQCLSA-N 1 0 312.417 3.260 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000246423066 432128831 /nfs/dbraw/zinc/12/88/31/432128831.db2.gz CCTSMYJYSXRKMM-FUHWJXTLSA-N 1 0 314.473 3.244 10 0 DGAERO C[C@@H](CC(=O)N1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000128732714 284385205 /nfs/dbraw/zinc/38/52/05/284385205.db2.gz SBFALADKEPZPCO-LBPRGKRZSA-N 1 0 310.388 3.011 10 0 DGAERO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246432258 432130123 /nfs/dbraw/zinc/13/01/23/432130123.db2.gz VMKJZGBHEBXUIG-FUHWJXTLSA-N 1 0 302.393 3.174 10 0 DGAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000019436127 182122964 /nfs/dbraw/zinc/12/29/64/182122964.db2.gz XSBJDLJTQQMLNG-HUBLWGQQSA-N 1 0 311.267 3.427 10 0 DGAERO CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129282225 284404363 /nfs/dbraw/zinc/40/43/63/284404363.db2.gz RBCLMVZJTSGFJC-CHWSQXEVSA-N 1 0 301.356 3.358 10 0 DGAERO CN(C)c1ncccc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129281992 284404371 /nfs/dbraw/zinc/40/43/71/284404371.db2.gz RBCLMVZJTSGFJC-STQMWFEESA-N 1 0 301.356 3.358 10 0 DGAERO CC(C)[N@H+](C)[C@@](C)(CN)CCc1ccc(OC(F)F)cc1 ZINC000019807757 182152832 /nfs/dbraw/zinc/15/28/32/182152832.db2.gz IKILTHHYHCAHDL-MRXNPFEDSA-N 1 0 300.393 3.278 10 0 DGAERO CCCc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000129372718 284407396 /nfs/dbraw/zinc/40/73/96/284407396.db2.gz MXDHLFMBSNZUPX-UHFFFAOYSA-N 1 0 302.462 3.489 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C)o2)[C@@H](C)C1 ZINC000246433328 432131278 /nfs/dbraw/zinc/13/12/78/432131278.db2.gz MWGGVUFPEDOOHU-QEJZJMRPSA-N 1 0 307.438 3.021 10 0 DGAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])[C@H]1CCCO1 ZINC000019967872 182171782 /nfs/dbraw/zinc/17/17/82/182171782.db2.gz PGQTUCVKSAVWHP-GHMZBOCLSA-N 1 0 320.614 3.290 10 0 DGAERO CC1(C)CC(NCc2ccc(Br)o2)CC(C)(C)[NH2+]1 ZINC000020143175 182191591 /nfs/dbraw/zinc/19/15/91/182191591.db2.gz WTJCCRKLFVIQOS-UHFFFAOYSA-N 1 0 315.255 3.441 10 0 DGAERO COc1ccc([C@H](C[NH3+])N(C)Cc2cccc(Cl)c2)cc1 ZINC000020225863 182198475 /nfs/dbraw/zinc/19/84/75/182198475.db2.gz NBROZSWUWNVBGW-KRWDZBQOSA-N 1 0 304.821 3.480 10 0 DGAERO COc1ccccc1[C@@H](C[NH3+])N(C)Cc1ccc(Cl)cc1 ZINC000020225764 182198641 /nfs/dbraw/zinc/19/86/41/182198641.db2.gz OUOVSNDCFXAQJN-MRXNPFEDSA-N 1 0 304.821 3.480 10 0 DGAERO COc1cccc([C@@H](C[NH3+])N(C)Cc2cccc(Cl)c2)c1 ZINC000020225812 182198839 /nfs/dbraw/zinc/19/88/39/182198839.db2.gz JDSOCZSIPCJZDN-QGZVFWFLSA-N 1 0 304.821 3.480 10 0 DGAERO CCN(Cc1ccccc1)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000020226659 182198851 /nfs/dbraw/zinc/19/88/51/182198851.db2.gz JZOLARDDZYGCMB-QGZVFWFLSA-N 1 0 314.429 3.226 10 0 DGAERO COc1cc(C[NH2+][C@H]2CCCSC2)cc(Cl)c1OC ZINC000135702976 432133602 /nfs/dbraw/zinc/13/36/02/432133602.db2.gz OCPWTJYLQDYMLT-NSHDSACASA-N 1 0 301.839 3.342 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246470777 432133748 /nfs/dbraw/zinc/13/37/48/432133748.db2.gz PYWOESFWYWTLRE-NXOAAHMSSA-N 1 0 309.498 3.184 10 0 DGAERO OC1(C[NH2+]C2CC(OCc3ccccc3)C2)CCCCCC1 ZINC000493873982 246092337 /nfs/dbraw/zinc/09/23/37/246092337.db2.gz NUASDPIPFJLOQQ-UHFFFAOYSA-N 1 0 303.446 3.409 10 0 DGAERO c1ccc(COC2CC([NH2+]C[C@@H]3Cc4ccccc4O3)C2)cc1 ZINC000493942831 246099387 /nfs/dbraw/zinc/09/93/87/246099387.db2.gz BMZXTGJAHRRIHJ-ACBHZAAOSA-N 1 0 309.409 3.328 10 0 DGAERO CSc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246457788 432134005 /nfs/dbraw/zinc/13/40/05/432134005.db2.gz PCWSKSCMXWAPLW-IUODEOHRSA-N 1 0 307.463 3.259 10 0 DGAERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(Cl)cc1F ZINC000246456988 432135177 /nfs/dbraw/zinc/13/51/77/432135177.db2.gz LWIYKHFPGMQGKO-VXGBXAGGSA-N 1 0 310.800 3.096 10 0 DGAERO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)c1ccoc1 ZINC000246474365 432135920 /nfs/dbraw/zinc/13/59/20/432135920.db2.gz QTKSLQFVXOUMAR-IIAWOOMASA-N 1 0 320.458 3.454 10 0 DGAERO C[C@H](C[N@@H+]1CCCCC[C@H]1c1ccccc1)CS(C)(=O)=O ZINC000246484394 432136411 /nfs/dbraw/zinc/13/64/11/432136411.db2.gz HXEMVLNUHBPFEV-WBVHZDCISA-N 1 0 309.475 3.284 10 0 DGAERO C[NH+](C)C1(c2cccc(O)c2)CCC2(CC1)OCC(C)(C)CO2 ZINC000027099963 182462473 /nfs/dbraw/zinc/46/24/73/182462473.db2.gz QRWWKFHNYOWISX-UHFFFAOYSA-N 1 0 319.445 3.492 10 0 DGAERO Cc1cc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)ccc1F ZINC000137385837 284519157 /nfs/dbraw/zinc/51/91/57/284519157.db2.gz ZKEQVRODBRLXQM-UHFFFAOYSA-N 1 0 321.440 3.054 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](CCOc3ccccc3C)C2)no1 ZINC000171504100 432138664 /nfs/dbraw/zinc/13/86/64/432138664.db2.gz BSYMZOWHTZNTRB-INIZCTEOSA-N 1 0 315.417 3.020 10 0 DGAERO C[C@H]1C[N@H+](CCc2ccncc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246518346 432140575 /nfs/dbraw/zinc/14/05/75/432140575.db2.gz BPUYZFYKFYJILJ-KSSFIOAISA-N 1 0 300.377 3.225 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3scnc3c2)C1 ZINC000246543201 432141265 /nfs/dbraw/zinc/14/12/65/432141265.db2.gz VREXRZWQIKNDFP-BXUZGUMPSA-N 1 0 318.446 3.147 10 0 DGAERO CC[C@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000171535825 432141638 /nfs/dbraw/zinc/14/16/38/432141638.db2.gz OIMRQLNBMFHNDU-MRXNPFEDSA-N 1 0 300.446 3.267 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1OC ZINC000181755004 432143910 /nfs/dbraw/zinc/14/39/10/432143910.db2.gz HHBNBNOMOKMJBH-HUUCEWRRSA-N 1 0 317.433 3.094 10 0 DGAERO c1nnc(N2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000267976996 206371619 /nfs/dbraw/zinc/37/16/19/206371619.db2.gz WURHCGPKPMZOPH-UHFFFAOYSA-N 1 0 310.426 3.014 10 0 DGAERO CCc1cccc(C)c1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246557688 432144537 /nfs/dbraw/zinc/14/45/37/432144537.db2.gz WMQCBBKIQJKBBP-GDBMZVCRSA-N 1 0 303.450 3.408 10 0 DGAERO CCS(=O)(=O)CCCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000190348799 432146147 /nfs/dbraw/zinc/14/61/47/432146147.db2.gz JNIBELFTPWIGNQ-UHFFFAOYSA-N 1 0 317.882 3.377 10 0 DGAERO CCOc1c(F)cccc1C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246568938 432146202 /nfs/dbraw/zinc/14/62/02/432146202.db2.gz MXPXSDIQTPRCDT-XJKSGUPXSA-N 1 0 322.424 3.027 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000136130645 432146465 /nfs/dbraw/zinc/14/64/65/432146465.db2.gz RGRROKIAMXMHRJ-QWHCGFSZSA-N 1 0 318.642 3.496 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000136127870 432146534 /nfs/dbraw/zinc/14/65/34/432146534.db2.gz RICWRLUEMGWCGJ-HNNXBMFYSA-N 1 0 312.417 3.001 10 0 DGAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCSc1ccc(Cl)cc1 ZINC000171574302 432146759 /nfs/dbraw/zinc/14/67/59/432146759.db2.gz VJWRCJHVCLZBLT-NWDGAFQWSA-N 1 0 312.866 3.018 10 0 DGAERO COC(=O)CCCC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000037636416 182915395 /nfs/dbraw/zinc/91/53/95/182915395.db2.gz HZURKLAQBATUPB-GFCCVEGCSA-N 1 0 300.196 3.182 10 0 DGAERO CCc1cccc(CC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000152485420 284624233 /nfs/dbraw/zinc/62/42/33/284624233.db2.gz BISCKRMINJXLPO-LJQANCHMSA-N 1 0 310.441 3.211 10 0 DGAERO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1 ZINC000040173915 183043683 /nfs/dbraw/zinc/04/36/83/183043683.db2.gz YLFJRURITDVUHN-OAHLLOKOSA-N 1 0 313.788 3.330 10 0 DGAERO C[C@H](C[NH2+][C@H]1CCN(c2ncccc2F)C1)Cc1ccccc1 ZINC000152781068 284641018 /nfs/dbraw/zinc/64/10/18/284641018.db2.gz YHQIYIIKDFJHJH-RDJZCZTQSA-N 1 0 313.420 3.268 10 0 DGAERO C[C@H](c1ccccc1Cl)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000152872870 284645092 /nfs/dbraw/zinc/64/50/92/284645092.db2.gz TUJYBAHKYOMKMB-OAHLLOKOSA-N 1 0 320.864 3.365 10 0 DGAERO CCN(c1cccc2ccccc21)c1nc[nH+]c(NN(C)C)c1N ZINC000040701984 183119631 /nfs/dbraw/zinc/11/96/31/183119631.db2.gz JDTXSQZQBDUBMU-UHFFFAOYSA-N 1 0 322.416 3.259 10 0 DGAERO Cc1ccc(Nc2nc[nH+]c(NNC(C)(C)C)c2N)cc1Cl ZINC000040703817 183119724 /nfs/dbraw/zinc/11/97/24/183119724.db2.gz PQKDHRIGYWJKFJ-UHFFFAOYSA-N 1 0 320.828 3.479 10 0 DGAERO C[N@H+](CCCNC(=O)NC1CCCCC1)Cc1ccccc1 ZINC000041531497 183199175 /nfs/dbraw/zinc/19/91/75/183199175.db2.gz NMTYXDKCSDWTRJ-UHFFFAOYSA-N 1 0 303.450 3.140 10 0 DGAERO COc1ccc(-c2nc(CC[NH3+])cs2)cc1Br ZINC000041564721 183202697 /nfs/dbraw/zinc/20/26/97/183202697.db2.gz VUPMOBGFGXLTJG-UHFFFAOYSA-N 1 0 313.220 3.082 10 0 DGAERO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)c1 ZINC000153235191 284662958 /nfs/dbraw/zinc/66/29/58/284662958.db2.gz OUCPGZIFPLBUFJ-LBPRGKRZSA-N 1 0 316.376 3.045 10 0 DGAERO CN(Cc1cc(Br)cs1)[C@@H](C[NH3+])c1ccco1 ZINC000042398979 183264427 /nfs/dbraw/zinc/26/44/27/183264427.db2.gz QFMPGOXAQIXSMI-NSHDSACASA-N 1 0 315.236 3.235 10 0 DGAERO CCO[C@H]1CCC[N@H+](Cc2c(N)cccc2Br)C1 ZINC000042408489 183265526 /nfs/dbraw/zinc/26/55/26/183265526.db2.gz GZJMWVIJJZZAGI-NSHDSACASA-N 1 0 313.239 3.032 10 0 DGAERO CCc1cccc(CC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000153378777 284668858 /nfs/dbraw/zinc/66/88/58/284668858.db2.gz XRJMHHSZEMWKSA-UHFFFAOYSA-N 1 0 302.462 3.028 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000042539551 183282902 /nfs/dbraw/zinc/28/29/02/183282902.db2.gz VWEIGGPOXSKQHA-HNNXBMFYSA-N 1 0 320.452 3.484 10 0 DGAERO CC(C)N(CC1CC1)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042580112 183287203 /nfs/dbraw/zinc/28/72/03/183287203.db2.gz FXDZAOQXVGJUHX-LLVKDONJSA-N 1 0 301.228 3.162 10 0 DGAERO CC(C)OCCO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042957393 183322968 /nfs/dbraw/zinc/32/29/68/183322968.db2.gz AAXMZOTZECUTLY-SMDDNHRTSA-N 1 0 316.239 3.279 10 0 DGAERO [NH3+]C[C@@H](OC[C@@H]1CCCCO1)c1ccc(Br)cc1 ZINC000042957411 183323105 /nfs/dbraw/zinc/32/31/05/183323105.db2.gz APTFIIAILBMJID-UONOGXRCSA-N 1 0 314.223 3.035 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)n1cc(C)cn1 ZINC000043022165 183329440 /nfs/dbraw/zinc/32/94/40/183329440.db2.gz KCSVIUGEPXTACI-KGLIPLIRSA-N 1 0 308.223 3.281 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)n1ccnc1C ZINC000043022064 183329490 /nfs/dbraw/zinc/32/94/90/183329490.db2.gz KDQJLYSNYXAIEW-ZIAGYGMSSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@H]([NH3+])[C@@H](Sc1ncccn1)c1cccc(Br)c1 ZINC000043024639 183331102 /nfs/dbraw/zinc/33/11/02/183331102.db2.gz XFROQXSHUJCWJY-JOYOIKCWSA-N 1 0 324.247 3.420 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1F)n1cc(Br)cn1 ZINC000043046334 183331698 /nfs/dbraw/zinc/33/16/98/183331698.db2.gz WTLLRKNJMBDXOR-CHWSQXEVSA-N 1 0 312.186 3.111 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)n1ccnc1C ZINC000043093692 183336742 /nfs/dbraw/zinc/33/67/42/183336742.db2.gz OKGJRGDIFNOQIE-KGLIPLIRSA-N 1 0 308.223 3.281 10 0 DGAERO CC(C)OCCO[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043094723 183337460 /nfs/dbraw/zinc/33/74/60/183337460.db2.gz MEVKCHIEWLJYSJ-BXUZGUMPSA-N 1 0 316.239 3.279 10 0 DGAERO [NH3+]C[C@H](Oc1ccc(CO)cc1)c1ccccc1Br ZINC000043095532 183337483 /nfs/dbraw/zinc/33/74/83/183337483.db2.gz AMPLDMAJNLDFKC-HNNXBMFYSA-N 1 0 322.202 3.020 10 0 DGAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCCCC1 ZINC000043258729 183348260 /nfs/dbraw/zinc/34/82/60/183348260.db2.gz RQHRWNGGAKQEAL-CABZTGNLSA-N 1 0 303.269 3.385 10 0 DGAERO Fc1cc(C[NH2+]C[C@H]2COc3ccccc3O2)ccc1Cl ZINC000043388525 183357876 /nfs/dbraw/zinc/35/78/76/183357876.db2.gz USELCSSDLLAPAC-LBPRGKRZSA-N 1 0 307.752 3.409 10 0 DGAERO CCOC(=O)CS[C@H](c1ccccc1Cl)[C@@H]([NH3+])CC ZINC000043089940 183335316 /nfs/dbraw/zinc/33/53/16/183335316.db2.gz OEYFRRSSBYEUKR-GXTWGEPZSA-N 1 0 301.839 3.415 10 0 DGAERO Cc1nn([C@@H](C[NH3+])c2ccccc2Br)c(C)c1C ZINC000043093844 183336475 /nfs/dbraw/zinc/33/64/75/183336475.db2.gz HEUGSQZSGOZAMJ-AWEZNQCLSA-N 1 0 308.223 3.119 10 0 DGAERO C[C@@H](CN1CCCC1)[NH2+]Cc1sccc1Br ZINC000043675321 183379021 /nfs/dbraw/zinc/37/90/21/183379021.db2.gz WNNJBDYLFCBQEX-JTQLQIEISA-N 1 0 303.269 3.085 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](c2cc(F)cc(F)c2)[C@H]([NH3+])C1 ZINC000044136245 183395484 /nfs/dbraw/zinc/39/54/84/183395484.db2.gz BLUYDXOVUOLRBW-ZIAGYGMSSA-N 1 0 312.360 3.017 10 0 DGAERO c1cc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)no1 ZINC000274066262 211326217 /nfs/dbraw/zinc/32/62/17/211326217.db2.gz WHSBAFKSNNGONQ-CQSZACIVSA-N 1 0 310.357 3.104 10 0 DGAERO c1ccc2c(c1)cccc2-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000273921493 211174393 /nfs/dbraw/zinc/17/43/93/211174393.db2.gz IALAYLACKZDJPJ-YOEHRIQHSA-N 1 0 321.380 3.426 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)CC2 ZINC000105872495 194152533 /nfs/dbraw/zinc/15/25/33/194152533.db2.gz LJJRKWWMJUIKCC-RYUDHWBXSA-N 1 0 304.825 3.160 10 0 DGAERO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884365 194157518 /nfs/dbraw/zinc/15/75/18/194157518.db2.gz AONZPJLXLIMXMD-STQMWFEESA-N 1 0 306.360 3.030 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCC12CCC2)c1ccco1 ZINC000435489771 284768042 /nfs/dbraw/zinc/76/80/42/284768042.db2.gz CTJIVJGGQFBHHQ-AWEZNQCLSA-N 1 0 305.422 3.001 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000105928359 194173017 /nfs/dbraw/zinc/17/30/17/194173017.db2.gz BWCAZUYTXZDRHB-ZDUSSCGKSA-N 1 0 302.397 3.378 10 0 DGAERO C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075026 194183637 /nfs/dbraw/zinc/18/36/37/194183637.db2.gz IAGVFJPTSFRTNU-RHSMWYFYSA-N 1 0 314.408 3.278 10 0 DGAERO Cc1ncc(CN2CC[NH+](CCCc3ccccc3)CC2)s1 ZINC000106090453 194185540 /nfs/dbraw/zinc/18/55/40/194185540.db2.gz BLLPVYNHIPHFLN-UHFFFAOYSA-N 1 0 315.486 3.202 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cccc(Cl)c1 ZINC000106424984 194211213 /nfs/dbraw/zinc/21/12/13/194211213.db2.gz JASSLLYXDRDRTB-QGZVFWFLSA-N 1 0 316.832 3.129 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000106425698 194211374 /nfs/dbraw/zinc/21/13/74/194211374.db2.gz AOOYUWWFTUJXMS-IBGZPJMESA-N 1 0 308.425 3.287 10 0 DGAERO CCc1cccc2c(CC(=O)NCCC[NH+](CC)CC)c[nH]c21 ZINC000109363428 194258892 /nfs/dbraw/zinc/25/88/92/194258892.db2.gz RJJXKPLFRLDJRP-UHFFFAOYSA-N 1 0 315.461 3.121 10 0 DGAERO COC[C@@H](C)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000109569939 194274570 /nfs/dbraw/zinc/27/45/70/194274570.db2.gz ORQOAUBIABHEMI-CQSZACIVSA-N 1 0 315.417 3.472 10 0 DGAERO CCC[NH2+]C[C@@H]1CCN(c2cc(Br)ccc2F)C1 ZINC000053031244 183884009 /nfs/dbraw/zinc/88/40/09/183884009.db2.gz WOGLWSNGMBLGHF-NSHDSACASA-N 1 0 315.230 3.414 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000056507869 184014312 /nfs/dbraw/zinc/01/43/12/184014312.db2.gz KLVUNDHVMGABBV-BRWVUGGUSA-N 1 0 324.509 3.301 10 0 DGAERO COc1ccc([C@H](C[NH3+])Nc2cccc(Cl)c2)cc1OC ZINC000057637705 184043380 /nfs/dbraw/zinc/04/33/80/184043380.db2.gz YSXLQRLWOKXONT-AWEZNQCLSA-N 1 0 306.793 3.469 10 0 DGAERO COc1ccc(OC)c([C@H](C[NH3+])Nc2cccc(Cl)c2)c1 ZINC000057637728 184043407 /nfs/dbraw/zinc/04/34/07/184043407.db2.gz FJMWSQSBQLYRLF-HNNXBMFYSA-N 1 0 306.793 3.469 10 0 DGAERO Oc1ccc(C[NH2+]CCc2ccccc2)cc1Br ZINC000057901234 184061277 /nfs/dbraw/zinc/06/12/77/184061277.db2.gz ZRBLSUMHKKBMAK-UHFFFAOYSA-N 1 0 306.203 3.487 10 0 DGAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000061235219 184166954 /nfs/dbraw/zinc/16/69/54/184166954.db2.gz XSSISQKJSJWTEE-SNVBAGLBSA-N 1 0 303.233 3.197 10 0 DGAERO CC[NH2+][C@H](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000061269408 184167406 /nfs/dbraw/zinc/16/74/06/184167406.db2.gz BMMABCAEGFHKST-SSDOTTSWSA-N 1 0 321.165 3.054 10 0 DGAERO O=C(Nc1cc(Br)ccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000061692469 184183308 /nfs/dbraw/zinc/18/33/08/184183308.db2.gz GLNCDHXKBWGYTO-JTQLQIEISA-N 1 0 317.614 3.183 10 0 DGAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1Cl ZINC000061692437 184183331 /nfs/dbraw/zinc/18/33/31/184183331.db2.gz BOYZCLBDESYAOR-CPCISQLKSA-N 1 0 319.630 3.414 10 0 DGAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(Br)ccc1Cl ZINC000061692556 184183534 /nfs/dbraw/zinc/18/35/34/184183534.db2.gz LCVWRXSGRWGLLE-MRVPVSSYSA-N 1 0 319.630 3.429 10 0 DGAERO CN(CC[NH2+][C@@H]1CCc2cc(Br)ccc21)C1CC1 ZINC000061995007 184200443 /nfs/dbraw/zinc/20/04/43/184200443.db2.gz TVPBJMHHRYLKOH-OAHLLOKOSA-N 1 0 309.251 3.120 10 0 DGAERO CCOc1ccc(Br)cc1[C@H]([NH3+])[C@H]1CCCOC1 ZINC000062230930 184223940 /nfs/dbraw/zinc/22/39/40/184223940.db2.gz ZJGNLOWKBHBQPY-IINYFYTJSA-N 1 0 314.223 3.274 10 0 DGAERO [NH3+][C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000062837673 184255574 /nfs/dbraw/zinc/25/55/74/184255574.db2.gz TYKKLZCLSDTJQF-HNNXBMFYSA-N 1 0 323.223 3.352 10 0 DGAERO CN(Cc1ccccc1Br)[C@H](C[NH3+])c1ccoc1 ZINC000063047791 184268234 /nfs/dbraw/zinc/26/82/34/184268234.db2.gz KHGIUQIMZBUZKE-CQSZACIVSA-N 1 0 309.207 3.174 10 0 DGAERO CCCC(CCC)SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064049271 184292147 /nfs/dbraw/zinc/29/21/47/184292147.db2.gz CMDLNKNKDPEDKU-UHFFFAOYSA-N 1 0 312.523 3.431 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000116420888 194746997 /nfs/dbraw/zinc/74/69/97/194746997.db2.gz APIYGDHCHRAMOO-ZFWWWQNUSA-N 1 0 309.454 3.315 10 0 DGAERO CC[C@H]1CN(CCCc2ccccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000248466759 285000289 /nfs/dbraw/zinc/00/02/89/285000289.db2.gz SNEJRNLYZJEYEN-RDJZCZTQSA-N 1 0 324.896 3.050 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 ZINC000084180988 252593258 /nfs/dbraw/zinc/59/32/58/252593258.db2.gz VUMBVMHGABKRKO-UHFFFAOYSA-N 1 0 317.820 3.054 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000085289413 252596931 /nfs/dbraw/zinc/59/69/31/252596931.db2.gz CKYQKHSUGAWFBS-KXPUMZMLSA-N 1 0 302.462 3.491 10 0 DGAERO COc1ccccc1CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248593525 285009233 /nfs/dbraw/zinc/00/92/33/285009233.db2.gz SHHZDBAENLQDSF-PKOBYXMFSA-N 1 0 303.446 3.255 10 0 DGAERO CCSCC[C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000173563248 252660034 /nfs/dbraw/zinc/66/00/34/252660034.db2.gz QNWSXMDRWHVVTB-ZBFHGGJFSA-N 1 0 323.506 3.120 10 0 DGAERO Brc1cncc(C[NH2+]CCCC2CCOCC2)c1 ZINC000449353378 532977107 /nfs/dbraw/zinc/97/71/07/532977107.db2.gz AQNDMFKBXJUSCG-UHFFFAOYSA-N 1 0 313.239 3.141 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@H](C)CC2CCCCC2)CCN1C[C@@H](C)O ZINC000248648662 285013878 /nfs/dbraw/zinc/01/38/78/285013878.db2.gz UEBHQMXUWQVODA-ZHALLVOQSA-N 1 0 310.526 3.370 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000248656156 285014957 /nfs/dbraw/zinc/01/49/57/285014957.db2.gz RDWOOGHGHOAIDZ-QGTPRVQTSA-N 1 0 309.425 3.386 10 0 DGAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000248655260 285015058 /nfs/dbraw/zinc/01/50/58/285015058.db2.gz QIQATOOCAVXJFC-TZMCWYRMSA-N 1 0 301.377 3.135 10 0 DGAERO CCCCOC[C@H](O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000248659519 285015748 /nfs/dbraw/zinc/01/57/48/285015748.db2.gz VICJIOLVWHQJHE-MJGOQNOKSA-N 1 0 303.446 3.316 10 0 DGAERO CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248662789 285016345 /nfs/dbraw/zinc/01/63/45/285016345.db2.gz HIBGJUFSPLGYIF-LPHOPBHVSA-N 1 0 316.489 3.216 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1C ZINC000248742967 285022323 /nfs/dbraw/zinc/02/23/23/285022323.db2.gz RQXMOCQSNYOIPI-KBPBESRZSA-N 1 0 306.837 3.347 10 0 DGAERO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248831764 285029252 /nfs/dbraw/zinc/02/92/52/285029252.db2.gz YXRICPZZBLOSOI-QWHCGFSZSA-N 1 0 320.399 3.298 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCOCC2CC2)c1 ZINC000158573385 532988395 /nfs/dbraw/zinc/98/83/95/532988395.db2.gz MXWVZAGUIJTHCZ-QGZVFWFLSA-N 1 0 305.418 3.267 10 0 DGAERO CCc1ccc(NC(=O)C[N@H+](C(C)C)C2CCOCC2)cc1 ZINC000119622197 195003946 /nfs/dbraw/zinc/00/39/46/195003946.db2.gz OORWUPFGKWOABS-UHFFFAOYSA-N 1 0 304.434 3.077 10 0 DGAERO C[C@@H](O)C1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000119624833 195004919 /nfs/dbraw/zinc/00/49/19/195004919.db2.gz GIGFVOUVTOCTDT-GFCCVEGCSA-N 1 0 317.351 3.221 10 0 DGAERO O=C(NCCCC1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000119614229 195002507 /nfs/dbraw/zinc/00/25/07/195002507.db2.gz ZQEXNTXTOFJUGY-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000119670524 195013336 /nfs/dbraw/zinc/01/33/36/195013336.db2.gz YNCYMZWUBVHVOE-HOTGVXAUSA-N 1 0 318.486 3.247 10 0 DGAERO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000248989916 285043594 /nfs/dbraw/zinc/04/35/94/285043594.db2.gz GYEOLGABCOVVRO-JKSUJKDBSA-N 1 0 323.502 3.235 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000249040517 285048423 /nfs/dbraw/zinc/04/84/23/285048423.db2.gz UQSBQVAWWCXRGE-CKEIUWERSA-N 1 0 313.445 3.199 10 0 DGAERO CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000120048590 195087370 /nfs/dbraw/zinc/08/73/70/195087370.db2.gz UFHUXFUBHYQSEG-HNNXBMFYSA-N 1 0 314.433 3.313 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3csc4ccccc34)C[C@H]21 ZINC000333106933 252936547 /nfs/dbraw/zinc/93/65/47/252936547.db2.gz DHBHNAGNZFJIDX-MRVWCRGKSA-N 1 0 315.442 3.492 10 0 DGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249176859 285061553 /nfs/dbraw/zinc/06/15/53/285061553.db2.gz FSBXXRAOKIIFHE-YEWFCNIMSA-N 1 0 300.446 3.083 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000249296822 285067454 /nfs/dbraw/zinc/06/74/54/285067454.db2.gz MVHMNIOWIARYDL-RANZSIQMSA-N 1 0 300.446 3.058 10 0 DGAERO CCSCC[NH2+]CCc1ccc(F)c(Br)c1 ZINC000336776165 253001340 /nfs/dbraw/zinc/00/13/40/253001340.db2.gz DXXRKOFJSILMHS-UHFFFAOYSA-N 1 0 306.244 3.473 10 0 DGAERO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000336895205 253019090 /nfs/dbraw/zinc/01/90/90/253019090.db2.gz MSVYIRXNNQFITA-QMTHXVAHSA-N 1 0 316.214 3.229 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H](C)c2ccccc2F)C1 ZINC000249757826 285087297 /nfs/dbraw/zinc/08/72/97/285087297.db2.gz IRMJAAKWUCAFOZ-ZIAGYGMSSA-N 1 0 307.413 3.012 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000249973704 285091583 /nfs/dbraw/zinc/09/15/83/285091583.db2.gz XTEDIFSOQHQEQX-JYJNAYRXSA-N 1 0 313.363 3.496 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)CC[C@H]1C ZINC000251683734 285097221 /nfs/dbraw/zinc/09/72/21/285097221.db2.gz JBXUXOZGGJGROS-IIAWOOMASA-N 1 0 315.417 3.463 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CC[C@H]1C ZINC000251683740 285097278 /nfs/dbraw/zinc/09/72/78/285097278.db2.gz JBXUXOZGGJGROS-IJEWVQPXSA-N 1 0 315.417 3.463 10 0 DGAERO Brc1cccc(C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000286234023 218865183 /nfs/dbraw/zinc/86/51/83/218865183.db2.gz RMNQKFQKLBNDTC-HNNXBMFYSA-N 1 0 310.235 3.417 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)ccc1OC(F)F ZINC000251870165 285099403 /nfs/dbraw/zinc/09/94/03/285099403.db2.gz OXQXBMZWVGVTKK-XHDPSFHLSA-N 1 0 315.360 3.153 10 0 DGAERO Cc1ccc(OC2CC[NH+](CC[C@H]3CCOC3=O)CC2)cc1C ZINC000120185021 195113953 /nfs/dbraw/zinc/11/39/53/195113953.db2.gz DPTBGELHWYDYDK-INIZCTEOSA-N 1 0 317.429 3.100 10 0 DGAERO Cc1ccc(OC2CC[NH+](CC[C@@H]3CCOC3=O)CC2)cc1C ZINC000120184887 195114323 /nfs/dbraw/zinc/11/43/23/195114323.db2.gz DPTBGELHWYDYDK-MRXNPFEDSA-N 1 0 317.429 3.100 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000179202844 533055407 /nfs/dbraw/zinc/05/54/07/533055407.db2.gz MWFVBNRWLPMLDT-KKXDTOCCSA-N 1 0 312.413 3.474 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)[C@H](C)CO ZINC000252711176 285104294 /nfs/dbraw/zinc/10/42/94/285104294.db2.gz ITGBKYRAFBNKDK-UPJWGTAASA-N 1 0 301.377 3.216 10 0 DGAERO C[C@H](C(=O)N[C@H]1CCCc2c(O)cccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253353083 285107994 /nfs/dbraw/zinc/10/79/94/285107994.db2.gz VKIDAKORWZFPPC-OEUWWYETSA-N 1 0 316.445 3.147 10 0 DGAERO C[C@@H](C(=O)N[C@H]1CCCc2c(O)cccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253353082 285108050 /nfs/dbraw/zinc/10/80/50/285108050.db2.gz VKIDAKORWZFPPC-LOUJCGABSA-N 1 0 316.445 3.147 10 0 DGAERO c1coc([C@H](CNc2ccnc3cccnc32)[NH+]2CCCCC2)c1 ZINC000338630739 253322882 /nfs/dbraw/zinc/32/28/82/253322882.db2.gz BDWDWUUXTWNIEK-KRWDZBQOSA-N 1 0 322.412 3.284 10 0 DGAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000159055657 197323048 /nfs/dbraw/zinc/32/30/48/197323048.db2.gz QSOZKVBFIWKJEX-HUUCEWRRSA-N 1 0 311.433 3.382 10 0 DGAERO Cc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)n1C(C)C ZINC000159033219 197321171 /nfs/dbraw/zinc/32/11/71/197321171.db2.gz ZHLGATMEHVRMMH-GUYCJALGSA-N 1 0 305.466 3.144 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000158993273 197317384 /nfs/dbraw/zinc/31/73/84/197317384.db2.gz DYSLISIINVKKQB-OAHLLOKOSA-N 1 0 322.412 3.169 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)CCn2cccn2)cc1OC ZINC000158705598 197295887 /nfs/dbraw/zinc/29/58/87/197295887.db2.gz KNDCXWUSHZSABZ-ZIAGYGMSSA-N 1 0 303.406 3.030 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C/C=C\c1cccc(F)c1 ZINC000255059832 285124839 /nfs/dbraw/zinc/12/48/39/285124839.db2.gz LFNWMWRGSLBFPT-COXDATCZSA-N 1 0 318.436 3.466 10 0 DGAERO C[C@H](CNC(=O)C/C=C\c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000255073368 285126614 /nfs/dbraw/zinc/12/66/14/285126614.db2.gz ARHFTJQFJJVELO-MCIOBPLBSA-N 1 0 318.436 3.466 10 0 DGAERO c1sc(CC[NH2+][C@H]2CCCSC2)nc1-c1ccncc1 ZINC000272910862 210298296 /nfs/dbraw/zinc/29/82/96/210298296.db2.gz WRDXQJKADCDXFN-ZDUSSCGKSA-N 1 0 305.472 3.233 10 0 DGAERO CC1CCC(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000120267400 195131230 /nfs/dbraw/zinc/13/12/30/195131230.db2.gz LBKHJYZPNYOSRO-OFLPRAFFSA-N 1 0 302.466 3.204 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NC/C=C\c2ccccc2)CC1 ZINC000255283725 285142285 /nfs/dbraw/zinc/14/22/85/285142285.db2.gz SNBJFLWWFACFHP-TWGQIWQCSA-N 1 0 315.461 3.121 10 0 DGAERO C[N@H+](Cc1cccc2[nH]ccc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120261458 195130381 /nfs/dbraw/zinc/13/03/81/195130381.db2.gz ZAZAYYNNDSOXPB-MRXNPFEDSA-N 1 0 321.428 3.059 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C/C=C\c2ccc(F)cc2)[C@H](C)C1 ZINC000255339040 285148163 /nfs/dbraw/zinc/14/81/63/285148163.db2.gz IJDFIOULZMYFBW-XSRQRWQSSA-N 1 0 318.436 3.418 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2C)[C@H](C)C1 ZINC000158417823 197271064 /nfs/dbraw/zinc/27/10/64/197271064.db2.gz FLFCLQWGRKKDLB-CJNGLKHVSA-N 1 0 308.853 3.451 10 0 DGAERO COc1c(C)cnc(C[N@H+](C)CCc2ncc(C)s2)c1C ZINC000157787893 197215752 /nfs/dbraw/zinc/21/57/52/197215752.db2.gz BHGLGAMQUHLVQQ-UHFFFAOYSA-N 1 0 305.447 3.146 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(C)=O)cc2)[C@H](C)C1 ZINC000120309706 195139833 /nfs/dbraw/zinc/13/98/33/195139833.db2.gz NMGCEBGXTSLCLP-DYVFJYSZSA-N 1 0 317.433 3.083 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)o1 ZINC000120307379 195140647 /nfs/dbraw/zinc/14/06/47/195140647.db2.gz FLXJOCJPILDFEK-CJNGLKHVSA-N 1 0 312.417 3.270 10 0 DGAERO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)o1 ZINC000120307653 195140756 /nfs/dbraw/zinc/14/07/56/195140756.db2.gz FLXJOCJPILDFEK-CZUORRHYSA-N 1 0 312.417 3.270 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1(C)C ZINC000342809035 254056045 /nfs/dbraw/zinc/05/60/45/254056045.db2.gz GEKTVWIOXYBFHH-ZWKOTPCHSA-N 1 0 313.445 3.225 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2cnc(C(C)(C)C)s2)C1 ZINC000255695767 285175123 /nfs/dbraw/zinc/17/51/23/285175123.db2.gz MJKUKHKSHQPQHU-YXVBKTCISA-N 1 0 321.490 3.054 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(Cl)ccc1F ZINC000157295216 197176946 /nfs/dbraw/zinc/17/69/46/197176946.db2.gz HVJUEZIMFRMHFW-CMPLNLGQSA-N 1 0 311.788 3.180 10 0 DGAERO CC[C@@H]1CN(C/C=C\c2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000255906611 285186931 /nfs/dbraw/zinc/18/69/31/285186931.db2.gz VBSGVCRTQSFCSH-PGFQARHSSA-N 1 0 322.880 3.130 10 0 DGAERO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000155971617 197078375 /nfs/dbraw/zinc/07/83/75/197078375.db2.gz ZUMVDGBMPUHBJI-ZIAGYGMSSA-N 1 0 317.385 3.379 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCCc1c[nH]c2ccccc12 ZINC000155607542 197071512 /nfs/dbraw/zinc/07/15/12/197071512.db2.gz RDWBUUXPRRUHDQ-HUUCEWRRSA-N 1 0 313.445 3.042 10 0 DGAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000122420909 291906951 /nfs/dbraw/zinc/90/69/51/291906951.db2.gz VOLGGYBMDMTUDS-HIFRSBDPSA-N 1 0 322.836 3.073 10 0 DGAERO Cc1c2ccccc2oc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155481319 197059231 /nfs/dbraw/zinc/05/92/31/197059231.db2.gz NBWTZOKCSFEORB-SWLSCSKDSA-N 1 0 300.402 3.200 10 0 DGAERO C[C@H](CC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C)c1ccc(F)cc1F ZINC000155379401 197049277 /nfs/dbraw/zinc/04/92/77/197049277.db2.gz GPIKWGGFMBOFAT-AGIUHOORSA-N 1 0 310.388 3.009 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC000155384718 197049362 /nfs/dbraw/zinc/04/93/62/197049362.db2.gz XJPYWZXWDYAODK-YPMHNXCESA-N 1 0 314.882 3.179 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCOC(C)C)cc1NC(C)=O ZINC000154943263 197007117 /nfs/dbraw/zinc/00/71/17/197007117.db2.gz URIVMWPIKPAYCE-CYBMUJFWSA-N 1 0 308.422 3.119 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000177044823 285237881 /nfs/dbraw/zinc/23/78/81/285237881.db2.gz UZDYIBCHPAUUMA-BPLDGKMQSA-N 1 0 322.399 3.011 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000177001449 285237968 /nfs/dbraw/zinc/23/79/68/285237968.db2.gz LVSDVCKTGKURSM-BRWVUGGUSA-N 1 0 320.864 3.386 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000120369973 195153787 /nfs/dbraw/zinc/15/37/87/195153787.db2.gz NJJBGMADEZQJLG-WBVHZDCISA-N 1 0 303.450 3.497 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc3ccccc3c2)no1 ZINC000120444096 195168108 /nfs/dbraw/zinc/16/81/08/195168108.db2.gz FKDXLGYWQDPSLW-CYBMUJFWSA-N 1 0 309.369 3.426 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000120449384 195169009 /nfs/dbraw/zinc/16/90/09/195169009.db2.gz VFADXAINHQECRX-IAQYHMDHSA-N 1 0 311.376 3.159 10 0 DGAERO CCC[C@H](C(=O)NCc1ccc(Cl)cc1OCC)[NH+](C)C ZINC000120495829 195178147 /nfs/dbraw/zinc/17/81/47/195178147.db2.gz GBUNONXYBMLIFO-CQSZACIVSA-N 1 0 312.841 3.085 10 0 DGAERO CCC[C@@H](C(=O)NCc1ccc(Cl)cc1OCC)[NH+](C)C ZINC000120495679 195178280 /nfs/dbraw/zinc/17/82/80/195178280.db2.gz GBUNONXYBMLIFO-AWEZNQCLSA-N 1 0 312.841 3.085 10 0 DGAERO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000120496359 195178587 /nfs/dbraw/zinc/17/85/87/195178587.db2.gz GEMUNFRGFMZGND-AWEZNQCLSA-N 1 0 310.397 3.487 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1F ZINC000120555072 195188339 /nfs/dbraw/zinc/18/83/39/195188339.db2.gz BMHCDJQQODGXOX-VXGBXAGGSA-N 1 0 319.424 3.466 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2C)c1 ZINC000120619242 195202668 /nfs/dbraw/zinc/20/26/68/195202668.db2.gz GTCYEPYMDJWJFD-KRWDZBQOSA-N 1 0 315.417 3.083 10 0 DGAERO CCC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCCCO1 ZINC000120732166 195226678 /nfs/dbraw/zinc/22/66/78/195226678.db2.gz NNMWBPWIIJKFII-SFHVURJKSA-N 1 0 304.434 3.426 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc12 ZINC000152384427 196816169 /nfs/dbraw/zinc/81/61/69/196816169.db2.gz SJWBXXBADKRFAH-KGLIPLIRSA-N 1 0 312.413 3.120 10 0 DGAERO OCc1nc2ccccc2n1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095078383 285299383 /nfs/dbraw/zinc/29/93/83/285299383.db2.gz ZERKSXXNWXBSEV-QGZVFWFLSA-N 1 0 321.424 3.366 10 0 DGAERO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)s1 ZINC000248127781 257108513 /nfs/dbraw/zinc/10/85/13/257108513.db2.gz XNICTNRBYVBVJY-CABCVRRESA-N 1 0 318.467 3.498 10 0 DGAERO CO[C@@H]1CC[N@H+](Cc2c(C)noc2C)[C@@H]1Cc1ccccc1 ZINC000247818913 257117580 /nfs/dbraw/zinc/11/75/80/257117580.db2.gz HHVKDQIUHULYPR-QZTJIDSGSA-N 1 0 300.402 3.123 10 0 DGAERO Cc1cccnc1CC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000295016208 224380831 /nfs/dbraw/zinc/38/08/31/224380831.db2.gz MPWJZWQMZYQWLY-PXNSSMCTSA-N 1 0 309.457 3.043 10 0 DGAERO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000071790531 184842076 /nfs/dbraw/zinc/84/20/76/184842076.db2.gz XNWGFNYVKSTZCX-HOTGVXAUSA-N 1 0 320.433 3.137 10 0 DGAERO C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000121030903 195283091 /nfs/dbraw/zinc/28/30/91/195283091.db2.gz ANIFLDJHSXTZPG-UKRRQHHQSA-N 1 0 306.425 3.330 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000121067915 195290219 /nfs/dbraw/zinc/29/02/19/195290219.db2.gz VYGPVJLPXWELMW-ZNMIVQPWSA-N 1 0 323.506 3.186 10 0 DGAERO CCO[C@H]1C[C@H](N(C)Cc2nnc(C(C)C)o2)C12CCCC2 ZINC000121141744 195297992 /nfs/dbraw/zinc/29/79/92/195297992.db2.gz RRCPMCAKKUWZLX-KBPBESRZSA-N 1 0 307.438 3.363 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)ncc1Cl ZINC000121707315 195331451 /nfs/dbraw/zinc/33/14/51/195331451.db2.gz BIHDMISQBKPVGD-SNVBAGLBSA-N 1 0 318.248 3.095 10 0 DGAERO Cc1ccsc1C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000121951155 195380333 /nfs/dbraw/zinc/38/03/33/195380333.db2.gz CNLSZGPIGUJHLR-HNNXBMFYSA-N 1 0 304.463 3.177 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H](C)c1cccs1 ZINC000121630378 195319329 /nfs/dbraw/zinc/31/93/29/195319329.db2.gz VETKBBFGZKQANN-ZIAGYGMSSA-N 1 0 311.495 3.427 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000310776604 533281729 /nfs/dbraw/zinc/28/17/29/533281729.db2.gz ARIVHVJEBAODQH-RISCZKNCSA-N 1 0 316.239 3.151 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434539636 533389162 /nfs/dbraw/zinc/38/91/62/533389162.db2.gz IFRNJKSCPJVOQW-LBPRGKRZSA-N 1 0 316.228 3.421 10 0 DGAERO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C1(C)C ZINC000435133159 533377523 /nfs/dbraw/zinc/37/75/23/533377523.db2.gz PLUIENTUBKNIBV-DOTOQJQBSA-N 1 0 303.406 3.305 10 0 DGAERO C[C@@H](CC[NH2+]Cc1ccc(F)cc1C(F)(F)F)[S@](C)=O ZINC000157654595 533608511 /nfs/dbraw/zinc/60/85/11/533608511.db2.gz DSPVGOFUXUSOLZ-GWNMQOMSSA-N 1 0 311.344 3.091 10 0 DGAERO COc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)c(OCc2cccnc2)c1 ZINC000443965201 533671832 /nfs/dbraw/zinc/67/18/32/533671832.db2.gz MJJZOJIVDBWPGS-WMLDXEAASA-N 1 0 312.413 3.415 10 0 DGAERO c1nc2ccccn2c1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000357344431 285725359 /nfs/dbraw/zinc/72/53/59/285725359.db2.gz MIDNMZANCQLNAF-APWZRJJASA-N 1 0 307.397 3.202 10 0 DGAERO CC[NH+](CC)CC(=O)N/N=C/c1ccc(Cl)c2ccccc12 ZINC000005561505 400088889 /nfs/dbraw/zinc/08/88/89/400088889.db2.gz IADJMKYWVVTFJI-YBFXNURJSA-N 1 0 317.820 3.285 10 0 DGAERO C[C@@]12CC(=O)C[C@H]1[C@@H]1CC[C@@H]3C[C@@H]4[NH2+]C[C@@H](O4)[C@]3(C)[C@H]1CC2 ZINC000006067823 400090759 /nfs/dbraw/zinc/09/07/59/400090759.db2.gz XWTQFFNBWQHSFL-CBAUOSKTSA-N 1 0 303.446 3.133 10 0 DGAERO CCCCOc1ccccc1C(=O)NCCC[NH+](CC)CC ZINC000001995381 400081574 /nfs/dbraw/zinc/08/15/74/400081574.db2.gz XKWUMVCHURANQZ-UHFFFAOYSA-N 1 0 306.450 3.327 10 0 DGAERO O[C@H](COCc1ccccc1)C[NH+]1CCC(C2CCCC2)CC1 ZINC000608502740 400081757 /nfs/dbraw/zinc/08/17/57/400081757.db2.gz RAQYKSYAGFOHLB-FQEVSTJZSA-N 1 0 317.473 3.466 10 0 DGAERO C(C[NH+]1CCC(c2nnc3n2CCC3)CC1)C1CCCCC1 ZINC000608560700 400084422 /nfs/dbraw/zinc/08/44/22/400084422.db2.gz GRLZNLBLBGJKFL-UHFFFAOYSA-N 1 0 302.466 3.374 10 0 DGAERO CC(=O)Nc1ccccc1[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616592497 400178723 /nfs/dbraw/zinc/17/87/23/400178723.db2.gz BKIQSTYQPZQRNB-LJQANCHMSA-N 1 0 309.413 3.098 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cccc3ncccc32)Cc2ccccc21 ZINC000616589305 400178919 /nfs/dbraw/zinc/17/89/19/400178919.db2.gz LQLCCAYTBNTEDC-INIZCTEOSA-N 1 0 303.409 3.340 10 0 DGAERO CC(=O)Nc1ccccc1[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616596168 400180099 /nfs/dbraw/zinc/18/00/99/400180099.db2.gz ZLSAELSMBIICOA-GOSISDBHSA-N 1 0 324.424 3.261 10 0 DGAERO CC(=O)Nc1ccccc1[C@@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616599492 400181286 /nfs/dbraw/zinc/18/12/86/400181286.db2.gz ZLSAELSMBIICOA-SFHVURJKSA-N 1 0 324.424 3.261 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2cc3ccccc3cn2)cc1 ZINC000616635655 400189036 /nfs/dbraw/zinc/18/90/36/400189036.db2.gz JOWMIUUBDFQJPN-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCCN1CC[NH3+] ZINC000616608260 400182893 /nfs/dbraw/zinc/18/28/93/400182893.db2.gz QRGGOCDYYZCFIE-HNNXBMFYSA-N 1 0 305.422 3.129 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCC[N@@H+]1CCO ZINC000616607626 400183031 /nfs/dbraw/zinc/18/30/31/400183031.db2.gz KSZIHMDYFREDHS-HNNXBMFYSA-N 1 0 306.406 3.163 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2ccncc2)CC1 ZINC000616603578 400183193 /nfs/dbraw/zinc/18/31/93/400183193.db2.gz YPIISHTUVWXWFA-OAHLLOKOSA-N 1 0 319.449 3.176 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCC[N@@H+]2CCO)cc1 ZINC000616608236 400183331 /nfs/dbraw/zinc/18/33/31/400183331.db2.gz PXWNZKVHWRXLMF-HNNXBMFYSA-N 1 0 306.406 3.163 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2ccnc3ccccc32)cc1 ZINC000616604759 400183479 /nfs/dbraw/zinc/18/34/79/400183479.db2.gz ZNXKVYMMWXJVNC-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCC[N@@H+]1CCO ZINC000616633544 400189159 /nfs/dbraw/zinc/18/91/59/400189159.db2.gz LVJQGHYYFBXIGG-INIZCTEOSA-N 1 0 320.433 3.187 10 0 DGAERO C[N@@H+](Cc1ccc2ccccc2n1)C[C@H]1CCc2nccn2C1 ZINC000328634624 400184005 /nfs/dbraw/zinc/18/40/05/400184005.db2.gz MUJVNEALEHRYLQ-OAHLLOKOSA-N 1 0 306.413 3.126 10 0 DGAERO CSc1ccc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nn1 ZINC000091476505 400122765 /nfs/dbraw/zinc/12/27/65/400122765.db2.gz MLNZDIJRIKRKPV-HNNXBMFYSA-N 1 0 320.506 3.147 10 0 DGAERO CCOC[C@@](C)(C[NH3+])N(Cc1ccccc1)Cc1ccccc1 ZINC000306847640 400127178 /nfs/dbraw/zinc/12/71/78/400127178.db2.gz KDYRGEFYJFIMAH-HXUWFJFHSA-N 1 0 312.457 3.443 10 0 DGAERO CC(C)[N@@H+]1CCN[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616631936 400187634 /nfs/dbraw/zinc/18/76/34/400187634.db2.gz IPEDUISQJMPAHM-MRXNPFEDSA-N 1 0 319.449 3.388 10 0 DGAERO CC[NH+](CC)CCSCC(=O)N(C)C(C)(C)c1ccccc1 ZINC000586834325 400166226 /nfs/dbraw/zinc/16/62/26/400166226.db2.gz AOKRQMNNEKCKGF-UHFFFAOYSA-N 1 0 322.518 3.455 10 0 DGAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2cc(Cl)ccc12 ZINC000588921247 400244309 /nfs/dbraw/zinc/24/43/09/400244309.db2.gz ADTPTVLMHBOEDW-STQMWFEESA-N 1 0 317.820 3.178 10 0 DGAERO C[C@@H](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000379603149 400256956 /nfs/dbraw/zinc/25/69/56/400256956.db2.gz FCJZBHSSVGJICE-OWLYRPNTSA-N 1 0 300.446 3.059 10 0 DGAERO CSCC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000610389585 400252183 /nfs/dbraw/zinc/25/21/83/400252183.db2.gz OIGWWSTZLFKJQU-UHFFFAOYSA-N 1 0 318.408 3.186 10 0 DGAERO CCOC(=O)c1ccc([C@@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000616636239 400190008 /nfs/dbraw/zinc/19/00/08/400190008.db2.gz SQUGHTCJTZBDRZ-IBGZPJMESA-N 1 0 324.424 3.010 10 0 DGAERO c1ccc(CN2CCOC[C@H]2c2ccc3nnccc3c2)cc1 ZINC000616640295 400190669 /nfs/dbraw/zinc/19/06/69/400190669.db2.gz YDAXCCNIDDYXKP-IBGZPJMESA-N 1 0 305.381 3.203 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2C[N@H+](C)CCCO2)c1 ZINC000616653263 400193805 /nfs/dbraw/zinc/19/38/05/400193805.db2.gz WUUSXWXLPCSTHK-MRXNPFEDSA-N 1 0 320.433 3.451 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2COCC[N@H+](C)C2)c1 ZINC000616659177 400195667 /nfs/dbraw/zinc/19/56/67/400195667.db2.gz OFVFMBMPEPCKKE-OAHLLOKOSA-N 1 0 320.433 3.104 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc2ccncc21 ZINC000616678496 400200156 /nfs/dbraw/zinc/20/01/56/400200156.db2.gz IXBIHMHUOFSZRN-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1C[C@H](c2cccc3ccncc32)Nc2ccccc21 ZINC000616682499 400203195 /nfs/dbraw/zinc/20/31/95/400203195.db2.gz CBJVTYPBSVEACH-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO CC[NH+](CC)CCCNCc1ccsc1Br ZINC000388992794 400267851 /nfs/dbraw/zinc/26/78/51/400267851.db2.gz VJKYZROPMAXXNH-UHFFFAOYSA-N 1 0 305.285 3.332 10 0 DGAERO C[C@@H]1C[C@H](NCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000404428538 400294853 /nfs/dbraw/zinc/29/48/53/400294853.db2.gz GFCKRWUEIBKBKE-GDBMZVCRSA-N 1 0 301.459 3.286 10 0 DGAERO COc1ccc([C@@H]2[C@@H]3C[N@H+](C)C[C@@H]3CN2Cc2ccccc2)cc1 ZINC000409430803 400301527 /nfs/dbraw/zinc/30/15/27/400301527.db2.gz NGGDENQKQQBPEO-HMXCVIKNSA-N 1 0 322.452 3.430 10 0 DGAERO Cc1ccc([C@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)c(Cl)c1 ZINC000409422271 400301691 /nfs/dbraw/zinc/30/16/91/400301691.db2.gz DJHKNMZVOYKEGM-TZMCWYRMSA-N 1 0 310.825 3.229 10 0 DGAERO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1Br ZINC000104066455 400311379 /nfs/dbraw/zinc/31/13/79/400311379.db2.gz OXXVHZNGKKBRIH-LLVKDONJSA-N 1 0 311.223 3.086 10 0 DGAERO COC1([C@H](C)[NH2+]CC2(c3ccccc3)CCC2)CCOCC1 ZINC000453067791 292145418 /nfs/dbraw/zinc/14/54/18/292145418.db2.gz JHWVHYFDACNVKN-INIZCTEOSA-N 1 0 303.446 3.282 10 0 DGAERO C[S@@](=O)c1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000611336546 400379705 /nfs/dbraw/zinc/37/97/05/400379705.db2.gz QDMYZKTVBGPWAD-HRAATJIYSA-N 1 0 319.857 3.334 10 0 DGAERO C[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000072482404 400381102 /nfs/dbraw/zinc/38/11/02/400381102.db2.gz PTGWBFBZGAMVNT-MRXNPFEDSA-N 1 0 315.461 3.366 10 0 DGAERO NC(=[NH2+])c1ccccc1COc1ccc(Br)cc1F ZINC000034957346 400386808 /nfs/dbraw/zinc/38/68/08/400386808.db2.gz PRFOFLQJZDQHFI-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO O=C(Nc1ccccc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917459 400394982 /nfs/dbraw/zinc/39/49/82/400394982.db2.gz VQJBWXOHDDAXAO-GXTWGEPZSA-N 1 0 307.825 3.336 10 0 DGAERO CC(C)c1c(=O)[nH]c2ccccc2c1OCC1CC[NH2+]CC1 ZINC000114877002 400390596 /nfs/dbraw/zinc/39/05/96/400390596.db2.gz BFPRUEHBFDHEMQ-UHFFFAOYSA-N 1 0 300.402 3.030 10 0 DGAERO C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)c2ccccc21 ZINC000106907458 400332598 /nfs/dbraw/zinc/33/25/98/400332598.db2.gz VHVLEFRGURIIGB-KXBFYZLASA-N 1 0 308.425 3.310 10 0 DGAERO CCCO[C@H]1CCC[N@H+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000108391562 400343210 /nfs/dbraw/zinc/34/32/10/400343210.db2.gz JSIJIRDWHQZIBD-AWEZNQCLSA-N 1 0 305.378 3.111 10 0 DGAERO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000108540427 400345673 /nfs/dbraw/zinc/34/56/73/400345673.db2.gz VHFZVEDXIISQGW-QWHCGFSZSA-N 1 0 309.841 3.042 10 0 DGAERO C[C@@H]1C[C@@H](c2cc(Br)c(Br)o2)C[NH2+]1 ZINC000070586640 400354061 /nfs/dbraw/zinc/35/40/61/400354061.db2.gz QDNHBMMATQZODG-PHDIDXHHSA-N 1 0 309.001 3.270 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)c2ccncc2)C[C@@H]1C ZINC000611218103 400360973 /nfs/dbraw/zinc/36/09/73/400360973.db2.gz NMYGAQGFPIFXOC-HDEZJCGLSA-N 1 0 304.434 3.143 10 0 DGAERO ClCCC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000039047914 400397584 /nfs/dbraw/zinc/39/75/84/400397584.db2.gz TWTYSGFDMRJBII-UHFFFAOYSA-N 1 0 317.658 3.200 10 0 DGAERO CSCc1c2ccccc2oc1C(=O)N(C)CCC[NH+](C)C ZINC000611426413 400399709 /nfs/dbraw/zinc/39/97/09/400399709.db2.gz DNQSIPWWRVAZRL-UHFFFAOYSA-N 1 0 320.458 3.320 10 0 DGAERO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000118867695 400431860 /nfs/dbraw/zinc/43/18/60/400431860.db2.gz MXKXGCSOWKXKQM-QGZVFWFLSA-N 1 0 317.477 3.194 10 0 DGAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000073619598 400460045 /nfs/dbraw/zinc/46/00/45/400460045.db2.gz DOXHRFHTQSRSLX-CABCVRRESA-N 1 0 306.450 3.002 10 0 DGAERO O=C(NCCC[NH+]1CCCC1)c1c[nH]c2cc(Cl)ccc12 ZINC000591107730 400489273 /nfs/dbraw/zinc/48/92/73/400489273.db2.gz LJAGFPIFOWANMW-UHFFFAOYSA-N 1 0 305.809 3.037 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000134138692 400574863 /nfs/dbraw/zinc/57/48/63/400574863.db2.gz PQBMCIACJOMDSK-IBGZPJMESA-N 1 0 314.473 3.244 10 0 DGAERO CC1(C)C[C@@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000591571661 400541547 /nfs/dbraw/zinc/54/15/47/400541547.db2.gz ARQPCENXLOLVAV-INIZCTEOSA-N 1 0 315.461 3.091 10 0 DGAERO Ic1ccc2c(c1)nccc2N1CCCC1 ZINC000141326802 400624740 /nfs/dbraw/zinc/62/47/40/400624740.db2.gz QNQGFFZKLCQIDJ-UHFFFAOYSA-N 1 0 324.165 3.440 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000075981821 400625645 /nfs/dbraw/zinc/62/56/45/400625645.db2.gz MHCKMYCNAAQXLP-CRAIPNDOSA-N 1 0 315.461 3.126 10 0 DGAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135161797 400584800 /nfs/dbraw/zinc/58/48/00/400584800.db2.gz IACUYHDPOBKCQX-RYUDHWBXSA-N 1 0 318.642 3.496 10 0 DGAERO COc1ccccc1/C=C\CN1CC[NH+](C2CCCC2)CC1 ZINC000137831413 400596705 /nfs/dbraw/zinc/59/67/05/400596705.db2.gz QNNIZXJJEYJAJC-VURMDHGXSA-N 1 0 300.446 3.269 10 0 DGAERO c1cnn(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)c1 ZINC000358015864 285945437 /nfs/dbraw/zinc/94/54/37/285945437.db2.gz FXXSJGFTFZOPTJ-SFHVURJKSA-N 1 0 311.429 3.265 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000148826973 400657975 /nfs/dbraw/zinc/65/79/75/400657975.db2.gz POJQCEIJSJPWMX-VQIMIIECSA-N 1 0 316.445 3.423 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(F)ccc1Cl ZINC000076524397 400660932 /nfs/dbraw/zinc/66/09/32/400660932.db2.gz DIQIHOAJXRVLOE-JTQLQIEISA-N 1 0 301.793 3.331 10 0 DGAERO Cc1cccc(NC[C@@H]2CC[N@@H+](CCOCCC(C)C)C2)n1 ZINC000151112310 400669275 /nfs/dbraw/zinc/66/92/75/400669275.db2.gz BYUNXIKMLUAHPE-KRWDZBQOSA-N 1 0 305.466 3.187 10 0 DGAERO COc1ccccc1/C=C/C[NH2+]Cc1cn2cccc(C)c2n1 ZINC000076894931 400678902 /nfs/dbraw/zinc/67/89/02/400678902.db2.gz VZWLSGIBNBOVTF-WEVVVXLNSA-N 1 0 307.397 3.454 10 0 DGAERO Cc1cn2c(C[NH2+]C[C@](C)(O)CCC(C)C)c(C)nc2s1 ZINC000077456219 400718539 /nfs/dbraw/zinc/71/85/39/400718539.db2.gz FYEQFHGWJOCRPP-MRXNPFEDSA-N 1 0 309.479 3.289 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2ccc(Cl)cc2)C[C@@H]1C ZINC000157951697 400721694 /nfs/dbraw/zinc/72/16/94/400721694.db2.gz BDMOVEJEWQKFTM-INIZCTEOSA-N 1 0 324.896 3.315 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000077526246 400723865 /nfs/dbraw/zinc/72/38/65/400723865.db2.gz OQKHTCBVCZWXNP-IRXDYDNUSA-N 1 0 317.477 3.337 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000618986445 400739283 /nfs/dbraw/zinc/73/92/83/400739283.db2.gz DAMUUISRHCTJMQ-HOTGVXAUSA-N 1 0 310.482 3.009 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000618986447 400739566 /nfs/dbraw/zinc/73/95/66/400739566.db2.gz DAMUUISRHCTJMQ-JKSUJKDBSA-N 1 0 310.482 3.009 10 0 DGAERO Cc1nc(NC(=O)[C@H]2CCC[NH2+]2)sc1Cc1cccc(C)c1 ZINC000077704244 400741926 /nfs/dbraw/zinc/74/19/26/400741926.db2.gz VOJHNXCNPWZRMK-CQSZACIVSA-N 1 0 315.442 3.041 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@H](C)C(C)(C)C)ccc1S(C)(=O)=O ZINC000163300721 400747697 /nfs/dbraw/zinc/74/76/97/400747697.db2.gz PINMGDQYXZDPNG-VXGBXAGGSA-N 1 0 313.463 3.184 10 0 DGAERO Cc1ccccc1[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000154929847 400698193 /nfs/dbraw/zinc/69/81/93/400698193.db2.gz IAEVLBIPNMCWJG-NVXWUHKLSA-N 1 0 303.450 3.038 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)CCC(=O)NC2CCCC2)cc1 ZINC000156821428 400713345 /nfs/dbraw/zinc/71/33/45/400713345.db2.gz KCAHFCVHDDQNOB-MRXNPFEDSA-N 1 0 302.462 3.307 10 0 DGAERO CC(C)(C)NC(=O)CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000358111066 285973513 /nfs/dbraw/zinc/97/35/13/285973513.db2.gz NTMDVAVFMJUWQJ-WBVHZDCISA-N 1 0 318.461 3.049 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCc2ccccc2[C@H]1C ZINC000171711295 400804990 /nfs/dbraw/zinc/80/49/90/400804990.db2.gz NPOAYFSCEHDBOD-LSDHHAIUSA-N 1 0 303.450 3.046 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1ccccc1Cl ZINC000054308078 400817569 /nfs/dbraw/zinc/81/75/69/400817569.db2.gz CWWFDVHZWPZJJM-CZUORRHYSA-N 1 0 306.837 3.393 10 0 DGAERO C[NH+]1CCC(N2CCCc3cc(Br)ccc32)CC1 ZINC000167742238 400756347 /nfs/dbraw/zinc/75/63/47/400756347.db2.gz QTKYBZFPPAGHHY-UHFFFAOYSA-N 1 0 309.251 3.296 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307696 400817815 /nfs/dbraw/zinc/81/78/15/400817815.db2.gz CAUJNGXZLIVIDK-LLVKDONJSA-N 1 0 300.855 3.140 10 0 DGAERO CC(C)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000170857809 400777355 /nfs/dbraw/zinc/77/73/55/400777355.db2.gz KSKNSMXHBJRGKD-CQSZACIVSA-N 1 0 311.429 3.134 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000170863497 400778086 /nfs/dbraw/zinc/77/80/86/400778086.db2.gz OPTXPGHMCFUYMP-MRXNPFEDSA-N 1 0 314.454 3.094 10 0 DGAERO C[C@H](CNC(=O)C[C@@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000170978384 400779522 /nfs/dbraw/zinc/77/95/22/400779522.db2.gz NPDMIUKJJCLHBM-AEFFLSMTSA-N 1 0 314.473 3.345 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000171171512 400788222 /nfs/dbraw/zinc/78/82/22/400788222.db2.gz PJEXVXOWWDELPE-CABCVRRESA-N 1 0 319.449 3.247 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cc2ccccc2o1 ZINC000171610296 400802480 /nfs/dbraw/zinc/80/24/80/400802480.db2.gz XMYWJYNCHPFXEB-GOSISDBHSA-N 1 0 322.408 3.222 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)C(C)(C)C ZINC000177085332 400872445 /nfs/dbraw/zinc/87/24/45/400872445.db2.gz BEMASHHBOUDIJH-SNVBAGLBSA-N 1 0 307.419 3.366 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)NCCCC2CC2)[NH+](C)C)cc1 ZINC000605604541 400880182 /nfs/dbraw/zinc/88/01/82/400880182.db2.gz GMZIXICLBXFRMG-QGZVFWFLSA-N 1 0 303.450 3.087 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+](C)Cc2ccccc2)o1 ZINC000054762324 400837535 /nfs/dbraw/zinc/83/75/35/400837535.db2.gz GYMUSCBLGIQKDM-OAHLLOKOSA-N 1 0 315.417 3.080 10 0 DGAERO O=C(NCCCC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000605486515 400868153 /nfs/dbraw/zinc/86/81/53/400868153.db2.gz CXCPSLBKMOLZIQ-UHFFFAOYSA-N 1 0 300.446 3.205 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606700063 400949579 /nfs/dbraw/zinc/94/95/79/400949579.db2.gz BKYCHNPMISZMCA-INIZCTEOSA-N 1 0 317.477 3.337 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000606700873 400949975 /nfs/dbraw/zinc/94/99/75/400949975.db2.gz RIAWGCOBGDWWSB-CVEARBPZSA-N 1 0 317.477 3.128 10 0 DGAERO Cc1ccc([C@@H](C)C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000606468208 400917838 /nfs/dbraw/zinc/91/78/38/400917838.db2.gz GBWKOIAEULKXEX-QFBILLFUSA-N 1 0 308.425 3.494 10 0 DGAERO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)CCS1 ZINC000246123408 401019484 /nfs/dbraw/zinc/01/94/84/401019484.db2.gz LKDSEHKRPSHCEY-RHSMWYFYSA-N 1 0 317.454 3.017 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000246146417 401020763 /nfs/dbraw/zinc/02/07/63/401020763.db2.gz SDDPFPODMFIKFI-RBSFLKMASA-N 1 0 321.490 3.229 10 0 DGAERO [NH3+]C[C@H]1c2ccccc2CCN1c1ncc(Cl)cc1Cl ZINC000227724746 400963924 /nfs/dbraw/zinc/96/39/24/400963924.db2.gz ZGHPTRGTOLAOKO-AWEZNQCLSA-N 1 0 308.212 3.451 10 0 DGAERO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000232307309 400971651 /nfs/dbraw/zinc/97/16/51/400971651.db2.gz FKQWXOZNIIMASJ-LDYMZIIASA-N 1 0 302.205 3.337 10 0 DGAERO CC[C@H](NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1nccs1 ZINC000247253779 401048863 /nfs/dbraw/zinc/04/88/63/401048863.db2.gz AMPSTJVSPLPTLO-MCIONIFRSA-N 1 0 324.494 3.014 10 0 DGAERO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CCCC1 ZINC000247990883 401063719 /nfs/dbraw/zinc/06/37/19/401063719.db2.gz JCOWRECZSLEHHT-MSOLQXFVSA-N 1 0 315.461 3.406 10 0 DGAERO c1n[nH]cc1C[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000607168116 401029495 /nfs/dbraw/zinc/02/94/95/401029495.db2.gz GWLBTSITRCUTOC-LJQANCHMSA-N 1 0 307.397 3.457 10 0 DGAERO [NH3+][C@H]1CC=C(c2nc(-c3cc(Br)cs3)no2)C1 ZINC000629689038 401037755 /nfs/dbraw/zinc/03/77/55/401037755.db2.gz YIMCTUMKMWINOK-QMMMGPOBSA-N 1 0 312.192 3.065 10 0 DGAERO c1ccc(C[C@H]2CCC[C@H]2[NH2+]CCOC2CCOCC2)cc1 ZINC000625362464 401111213 /nfs/dbraw/zinc/11/12/13/401111213.db2.gz ZORUBHGCQKAANG-IEBWSBKVSA-N 1 0 303.446 3.183 10 0 DGAERO CC(=O)N1CC[C@@H](C[N@H+](C)CCCCc2cccc(Cl)c2)C1 ZINC000621270059 401145860 /nfs/dbraw/zinc/14/58/60/401145860.db2.gz NITYXRWZCPXQNA-KRWDZBQOSA-N 1 0 322.880 3.463 10 0 DGAERO O=C(N[C@@H]1CCc2c1cccc2Cl)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262466539 401117731 /nfs/dbraw/zinc/11/77/31/401117731.db2.gz XZGZBVFTTPZVNJ-QYHDQYMBSA-N 1 0 318.848 3.364 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)c2cccs2)C1 ZINC000262611442 401118124 /nfs/dbraw/zinc/11/81/24/401118124.db2.gz BGCWIUUCNQGYTB-BZUAXINKSA-N 1 0 314.454 3.276 10 0 DGAERO CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)sc2C1 ZINC000262629064 401119454 /nfs/dbraw/zinc/11/94/54/401119454.db2.gz VDBYZCAGSMZOFI-WOPDTQHZSA-N 1 0 307.463 3.114 10 0 DGAERO COc1ccc(OC)c([C@@H](C)[NH2+]CCN2CC=C(C)CC2)c1 ZINC000358225389 286003212 /nfs/dbraw/zinc/00/32/12/286003212.db2.gz KOKZMLCFCGKETQ-OAHLLOKOSA-N 1 0 304.434 3.006 10 0 DGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)C(C)(C)C ZINC000084439183 401141863 /nfs/dbraw/zinc/14/18/63/401141863.db2.gz KGPWMTVRLXNFQF-CYBMUJFWSA-N 1 0 311.495 3.256 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1sccc1Br ZINC000251389064 401092952 /nfs/dbraw/zinc/09/29/52/401092952.db2.gz GVCLGXKYMCSLMR-ATZCPNFKSA-N 1 0 304.253 3.322 10 0 DGAERO C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccco1 ZINC000607643219 401099357 /nfs/dbraw/zinc/09/93/57/401099357.db2.gz UUWRKIOFSRLISX-DLBZAZTESA-N 1 0 318.461 3.498 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC000607923081 401150833 /nfs/dbraw/zinc/15/08/33/401150833.db2.gz NMKOBJKSDDHCJF-UHFFFAOYSA-N 1 0 313.445 3.328 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000615795757 401153924 /nfs/dbraw/zinc/15/39/24/401153924.db2.gz KQJPAGFGHYUJNJ-HZPDHXFCSA-N 1 0 305.418 3.086 10 0 DGAERO CC1=CCN(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000358236509 286007155 /nfs/dbraw/zinc/00/71/55/286007155.db2.gz YZNGECDJAAGKGN-AZUAARDMSA-N 1 0 314.473 3.396 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CCCCO3)C2)cc1 ZINC000630074215 401176993 /nfs/dbraw/zinc/17/69/93/401176993.db2.gz GWPPOPQOHIUZRD-NSISKUIASA-N 1 0 314.473 3.450 10 0 DGAERO COC(=O)c1sccc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000088535307 401203314 /nfs/dbraw/zinc/20/33/14/401203314.db2.gz VUDCQOHPCUTJHK-HNNXBMFYSA-N 1 0 323.458 3.458 10 0 DGAERO C[NH+](C)CCNC(=O)c1cc2cn(C3CCCC3)cc2s1 ZINC000065285772 401263550 /nfs/dbraw/zinc/26/35/50/401263550.db2.gz GDSFZYWAWQHTEP-UHFFFAOYSA-N 1 0 305.447 3.109 10 0 DGAERO c1c[nH]c([C@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)n1 ZINC000090554481 401268692 /nfs/dbraw/zinc/26/86/92/401268692.db2.gz FBQXUJUPSFYCCK-KRWDZBQOSA-N 1 0 310.445 3.042 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000621742172 401292540 /nfs/dbraw/zinc/29/25/40/401292540.db2.gz FLFXSDUPALWQQF-DJIMGWMZSA-N 1 0 306.837 3.187 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)c2ccccc21 ZINC000621759997 401296417 /nfs/dbraw/zinc/29/64/17/401296417.db2.gz CVGLDKVAPHSTLK-GOEBONIOSA-N 1 0 302.418 3.032 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2OCCc3ccccc32)n(CC2CCC2)n1 ZINC000631071746 401384053 /nfs/dbraw/zinc/38/40/53/401384053.db2.gz PBBZTNNHHYPOJD-IBGZPJMESA-N 1 0 311.429 3.087 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000634952052 401387588 /nfs/dbraw/zinc/38/75/88/401387588.db2.gz NVTXXRQMVFBZJT-GJZGRUSLSA-N 1 0 315.866 3.348 10 0 DGAERO C[C@@H]1CN(Cc2cc(Br)c(Cl)s2)C[C@H]1C[NH3+] ZINC000634998376 401398193 /nfs/dbraw/zinc/39/81/93/401398193.db2.gz DYXWRSZALQJLQE-HTQZYQBOSA-N 1 0 323.687 3.191 10 0 DGAERO c1c(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)[nH]nc1-c1cccnc1 ZINC000631185534 401419020 /nfs/dbraw/zinc/41/90/20/401419020.db2.gz NYDZVMAACOZJCR-MJGOQNOKSA-N 1 0 320.396 3.092 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@H]2CCCC23CC3)cs1)C1CC1 ZINC000631190826 401421251 /nfs/dbraw/zinc/42/12/51/401421251.db2.gz CNWOYYILTPGVBY-AWEZNQCLSA-N 1 0 305.447 3.081 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]Cc3cscn3)[C@H]21 ZINC000631191298 401421334 /nfs/dbraw/zinc/42/13/34/401421334.db2.gz FTYCVXBXBPULAX-IACUBPJLSA-N 1 0 321.243 3.334 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]Cc3ccncc3)[C@H]21 ZINC000631192424 401421688 /nfs/dbraw/zinc/42/16/88/401421688.db2.gz LCEXWRUWIQHUSS-NUEKZKHPSA-N 1 0 315.214 3.272 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C[C@@H]3CCSC3)[C@H]21 ZINC000631194560 401422643 /nfs/dbraw/zinc/42/26/43/401422643.db2.gz UOYCVEVEAILYTD-GGZSPTBLSA-N 1 0 324.287 3.430 10 0 DGAERO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(Br)s1 ZINC000631215945 401428870 /nfs/dbraw/zinc/42/88/70/401428870.db2.gz IDXKCDWMKXKPNB-RQJHMYQMSA-N 1 0 314.195 3.177 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1cccnc1 ZINC000631222807 401430109 /nfs/dbraw/zinc/43/01/09/401430109.db2.gz UTTVOCMLOAFNJH-PMPSAXMXSA-N 1 0 315.214 3.272 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[NH2+]Cc1cccc2c1CCOC2 ZINC000631245200 401436432 /nfs/dbraw/zinc/43/64/32/401436432.db2.gz KDVIXRLGVQDBFX-UHFFFAOYSA-N 1 0 319.408 3.439 10 0 DGAERO c1cn(-c2ccccc2)nc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000631256884 401438996 /nfs/dbraw/zinc/43/89/96/401438996.db2.gz YIBSAMOXKLSSKY-RBUKOAKNSA-N 1 0 311.429 3.310 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000358433511 286061384 /nfs/dbraw/zinc/06/13/84/286061384.db2.gz HXFFEPYWIWQXGT-UHFFFAOYSA-N 1 0 311.788 3.253 10 0 DGAERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccccc1Br ZINC000631696714 401538282 /nfs/dbraw/zinc/53/82/82/401538282.db2.gz SNBNGRSNFMBAJY-GZMMTYOYSA-N 1 0 308.166 3.116 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000358438140 286062927 /nfs/dbraw/zinc/06/29/27/286062927.db2.gz ONKREDCUKWNKNE-UHFFFAOYSA-N 1 0 311.788 3.253 10 0 DGAERO Brc1ccc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631885899 401563866 /nfs/dbraw/zinc/56/38/66/401563866.db2.gz CLCVEJYMMABAMK-JQWIXIFHSA-N 1 0 315.280 3.085 10 0 DGAERO O[C@H](CC[NH2+]Cc1ccsc1C(F)(F)F)C(F)(F)F ZINC000628278681 401565873 /nfs/dbraw/zinc/56/58/73/401565873.db2.gz BPTVHSLZZSOZCU-SSDOTTSWSA-N 1 0 307.259 3.170 10 0 DGAERO c1ccc(COc2ccccc2C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)nc1 ZINC000623753322 401576667 /nfs/dbraw/zinc/57/66/67/401576667.db2.gz WPUBDNWAJCFVEW-AZUAARDMSA-N 1 0 324.424 3.318 10 0 DGAERO Fc1c(Br)cccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000623754479 401576771 /nfs/dbraw/zinc/57/67/71/401576771.db2.gz OVTLEMAQXSYULX-WCQYABFASA-N 1 0 314.198 3.245 10 0 DGAERO CO[C@](C)(C[NH2+]C[C@]1(C)CCCS1)COCc1ccccc1 ZINC000628337948 401578510 /nfs/dbraw/zinc/57/85/10/401578510.db2.gz VQFJWRCYRKZPFH-MSOLQXFVSA-N 1 0 323.502 3.484 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000623823674 401583531 /nfs/dbraw/zinc/58/35/31/401583531.db2.gz FNWGTKAWSOHCNE-DTORHVGOSA-N 1 0 320.177 3.242 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000623902127 401597061 /nfs/dbraw/zinc/59/70/61/401597061.db2.gz BBFHBSSYCGWSOI-UMGGQSCQSA-N 1 0 316.489 3.444 10 0 DGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1ccsc1Br ZINC000623561941 401547001 /nfs/dbraw/zinc/54/70/01/401547001.db2.gz CCVCRTVQAKPQGE-LLVKDONJSA-N 1 0 317.296 3.473 10 0 DGAERO Cc1nc(C)c(C[NH2+]CCc2ccc(Br)s2)o1 ZINC000628209649 401550125 /nfs/dbraw/zinc/55/01/25/401550125.db2.gz NBYHTYAJYRSBND-UHFFFAOYSA-N 1 0 315.236 3.448 10 0 DGAERO O=C(c1cc2sccc2s1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632875103 401634114 /nfs/dbraw/zinc/63/41/14/401634114.db2.gz JGGIAAJJQNRZOK-QWRGUYRKSA-N 1 0 306.456 3.177 10 0 DGAERO c1n[nH]cc1C[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000624217181 401640319 /nfs/dbraw/zinc/64/03/19/401640319.db2.gz GHLPLNQWQCOEJC-UHFFFAOYSA-N 1 0 307.397 3.321 10 0 DGAERO c1csc(CC2C[NH+](Cc3ccc(-n4cncn4)cc3)C2)c1 ZINC000628478528 401604134 /nfs/dbraw/zinc/60/41/34/401604134.db2.gz GPLSJDMBDJLMNB-UHFFFAOYSA-N 1 0 310.426 3.003 10 0 DGAERO COCC(C)(C)C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000494100678 292197321 /nfs/dbraw/zinc/19/73/21/292197321.db2.gz YOXQJBYQTSTFSC-GOEBONIOSA-N 1 0 310.507 3.393 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C1 ZINC000624056086 401619737 /nfs/dbraw/zinc/61/97/37/401619737.db2.gz XKZZEJCGUJZDLJ-IRXDYDNUSA-N 1 0 318.420 3.366 10 0 DGAERO Cc1ccc([C@@H](C[NH2+][C@H](C)C2CCC2)N2CCOCC2)s1 ZINC000180659060 292202325 /nfs/dbraw/zinc/20/23/25/292202325.db2.gz RXRAXDSUZBFKGJ-GDBMZVCRSA-N 1 0 308.491 3.208 10 0 DGAERO C[N@@H+]1CCCC[C@@H](CNc2ncc(Br)cc2F)C1 ZINC000624537109 401669264 /nfs/dbraw/zinc/66/92/64/401669264.db2.gz SGBSIEPMQNIRQS-JTQLQIEISA-N 1 0 316.218 3.127 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000358647935 286116743 /nfs/dbraw/zinc/11/67/43/286116743.db2.gz KYTSTNLLNRROIC-HNNXBMFYSA-N 1 0 317.433 3.167 10 0 DGAERO C[C@@H](CSc1nnc(-c2ccc(Cl)s2)o1)[NH+](C)C ZINC000358785722 286153661 /nfs/dbraw/zinc/15/36/61/286153661.db2.gz NDEFVGZSBSRMAA-ZETCQYMHSA-N 1 0 303.840 3.494 10 0 DGAERO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H](O)COC(C)(C)C)cc1 ZINC000116410848 292225953 /nfs/dbraw/zinc/22/59/53/292225953.db2.gz UBNYIRUMPGLAGE-IRXDYDNUSA-N 1 0 323.502 3.261 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCN1CCCCC1 ZINC000358912655 286185464 /nfs/dbraw/zinc/18/54/64/286185464.db2.gz FIOLBEYBSUARJI-IBGZPJMESA-N 1 0 324.472 3.325 10 0 DGAERO c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCC[C@H]1C1=CCCCC1)CC2 ZINC000246343011 296647266 /nfs/dbraw/zinc/64/72/66/296647266.db2.gz HBPLICGAQCYVLS-ULQDDVLXSA-N 1 0 300.450 3.242 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCN1CC=CCC1 ZINC000359060097 286226949 /nfs/dbraw/zinc/22/69/49/286226949.db2.gz BOCMOJZCWHWCIG-LJQANCHMSA-N 1 0 322.456 3.101 10 0 DGAERO COCCCCC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359232034 286265740 /nfs/dbraw/zinc/26/57/40/286265740.db2.gz YWEYIYSDOSUPEY-KRWDZBQOSA-N 1 0 305.397 3.055 10 0 DGAERO COc1ccc(C(C)(C)C[NH2+][C@H](C)C2(OC)CCOCC2)cc1 ZINC000453137666 286291164 /nfs/dbraw/zinc/29/11/64/286291164.db2.gz NJYIBRCIHQDEDV-OAHLLOKOSA-N 1 0 321.461 3.147 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](OC)c1ccc(Cl)cc1 ZINC000359353490 286291291 /nfs/dbraw/zinc/29/12/91/286291291.db2.gz WRYHVWBRXDUNOI-HOTGVXAUSA-N 1 0 324.852 3.018 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(C(CC)CC)no1 ZINC000359430850 286307219 /nfs/dbraw/zinc/30/72/19/286307219.db2.gz UTBFEMAXGZIDNP-INIZCTEOSA-N 1 0 307.438 3.069 10 0 DGAERO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N(CC1CC1)CC1CC1 ZINC000359660920 286355839 /nfs/dbraw/zinc/35/58/39/286355839.db2.gz ZMNZVUZWEZCARP-IBGZPJMESA-N 1 0 312.457 3.300 10 0 DGAERO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ncc(Br)s2)CCO1 ZINC000359945267 286394118 /nfs/dbraw/zinc/39/41/18/286394118.db2.gz DLZIWJDAQAVGRF-VHSXEESVSA-N 1 0 319.268 3.199 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCSCC)C12CCOCC2 ZINC000186366433 286394848 /nfs/dbraw/zinc/39/48/48/286394848.db2.gz QTOKETSECINHJJ-SOUVJXGZSA-N 1 0 301.496 3.082 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C12CCOCC2 ZINC000248995494 286402538 /nfs/dbraw/zinc/40/25/38/286402538.db2.gz LXXBLHRNEYHBJS-XOKHGSTOSA-N 1 0 307.409 3.451 10 0 DGAERO Cc1noc(C)c1CC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000359996836 286405199 /nfs/dbraw/zinc/40/51/99/286405199.db2.gz RZVPUSPSIWGWIU-OAHLLOKOSA-N 1 0 317.364 3.036 10 0 DGAERO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360008801 286407236 /nfs/dbraw/zinc/40/72/36/286407236.db2.gz ZFBKWDMNIUJQBQ-HOTGVXAUSA-N 1 0 305.466 3.223 10 0 DGAERO COc1ccc2nc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)sc2c1 ZINC000261980513 286437432 /nfs/dbraw/zinc/43/74/32/286437432.db2.gz AKFZINGJPAKDJR-CYBMUJFWSA-N 1 0 319.430 3.022 10 0 DGAERO c1ccc([C@H]([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c2ccccn2)cc1 ZINC000360675795 286519218 /nfs/dbraw/zinc/51/92/18/286519218.db2.gz XQINVNBRBXOEIC-HOJAQTOUSA-N 1 0 324.424 3.099 10 0 DGAERO Cc1ccnc(C2CC[NH+](CCc3ccc(F)c(F)c3)CC2)n1 ZINC000363806798 286960974 /nfs/dbraw/zinc/96/09/74/286960974.db2.gz RGWDRYZXEKSFHY-UHFFFAOYSA-N 1 0 317.383 3.485 10 0 DGAERO c1ccc([C@H]([NH2+]C2CCC3(CC2)OCCO3)[C@H]2CCOC2)cc1 ZINC000364363811 287018295 /nfs/dbraw/zinc/01/82/95/287018295.db2.gz OXNYDNNFDQFZCS-WMZOPIPTSA-N 1 0 317.429 3.040 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)CC2 ZINC000364767203 287059758 /nfs/dbraw/zinc/05/97/58/287059758.db2.gz FTHIHDSSQPADTH-BFHYXJOUSA-N 1 0 303.450 3.333 10 0 DGAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000085358100 164568358 /nfs/dbraw/zinc/56/83/58/164568358.db2.gz DWRBMJKFYSXZPS-KCJUWKMLSA-N 1 0 306.715 3.425 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000364850335 287067553 /nfs/dbraw/zinc/06/75/53/287067553.db2.gz UWBUFMFDBNQLQH-PXNSSMCTSA-N 1 0 324.472 3.490 10 0 DGAERO CC(C)c1nc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000170812260 164615772 /nfs/dbraw/zinc/61/57/72/164615772.db2.gz TYKYSHDDVKRCTM-UHFFFAOYSA-N 1 0 321.490 3.215 10 0 DGAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000172232736 164655266 /nfs/dbraw/zinc/65/52/66/164655266.db2.gz CKNKFMMCNVPJEO-OAHLLOKOSA-N 1 0 307.482 3.083 10 0 DGAERO O[C@H](CN1CCC[C@@H]1c1ccc(F)c(F)c1)CC(F)(F)F ZINC000364894744 287072423 /nfs/dbraw/zinc/07/24/23/287072423.db2.gz LUZPIRGSVNENPW-GXFFZTMASA-N 1 0 309.278 3.415 10 0 DGAERO COc1cccc([C@@H](C)[NH2+]CC[C@H]2c3ccccc3NC2=O)c1 ZINC000177187272 164800459 /nfs/dbraw/zinc/80/04/59/164800459.db2.gz FSOBQNDBVLNSDX-DYVFJYSZSA-N 1 0 310.397 3.472 10 0 DGAERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)C1CCCCC1 ZINC000177320119 164804786 /nfs/dbraw/zinc/80/47/86/164804786.db2.gz UARRAOCWAWQALZ-MAUKXSAKSA-N 1 0 302.462 3.244 10 0 DGAERO C[C@@H](O)CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000085983609 287079869 /nfs/dbraw/zinc/07/98/69/287079869.db2.gz MWWFARLTLZHGOJ-MFKMUULPSA-N 1 0 314.223 3.023 10 0 DGAERO O=C(C1CC[NH+](C2CCC2)CC1)N(Cc1ccccc1)C1CC1 ZINC000179578302 164862562 /nfs/dbraw/zinc/86/25/62/164862562.db2.gz OQEBZQPTFUKJRN-UHFFFAOYSA-N 1 0 312.457 3.442 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)CC2 ZINC000180635562 164890628 /nfs/dbraw/zinc/89/06/28/164890628.db2.gz GOYAKDQLIVCJRN-MSOLQXFVSA-N 1 0 324.472 3.327 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1c3ccccc3C[C@@H]1C)CC2 ZINC000180636178 164891045 /nfs/dbraw/zinc/89/10/45/164891045.db2.gz ISHRGUAPCGMPRK-JCKWVBRZSA-N 1 0 310.445 3.239 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](Cn2ccnn2)C1 ZINC000185359618 165001936 /nfs/dbraw/zinc/00/19/36/165001936.db2.gz FCQBCTNXYUIESE-MRXNPFEDSA-N 1 0 321.428 3.360 10 0 DGAERO Cc1ccccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185596173 165010106 /nfs/dbraw/zinc/01/01/06/165010106.db2.gz HKVCFTCOIVGYSB-DOTOQJQBSA-N 1 0 324.424 3.478 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000185825112 165017874 /nfs/dbraw/zinc/01/78/74/165017874.db2.gz MWOQYAXKOBKCBX-QZTJIDSGSA-N 1 0 302.462 3.435 10 0 DGAERO CC(C)n1nnnc1C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000185957810 165023048 /nfs/dbraw/zinc/02/30/48/165023048.db2.gz MGNOOEKYUWHHIJ-HNNXBMFYSA-N 1 0 313.449 3.244 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000186312352 165037763 /nfs/dbraw/zinc/03/77/63/165037763.db2.gz ANWUHIJSLKZLEW-UHFFFAOYSA-N 1 0 323.318 3.096 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2nc(C(C)C)cs2)C12CCOCC2 ZINC000186390477 165041883 /nfs/dbraw/zinc/04/18/83/165041883.db2.gz TUEDJQXXFHRXGY-GJZGRUSLSA-N 1 0 324.490 3.330 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)c2nc(C)cs2)C12CCOCC2 ZINC000186503000 165046537 /nfs/dbraw/zinc/04/65/37/165046537.db2.gz ATUDVIOXFQNFJP-BPLDGKMQSA-N 1 0 324.490 3.119 10 0 DGAERO O=C(c1cc2ccccc2s1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186542958 165048534 /nfs/dbraw/zinc/04/85/34/165048534.db2.gz GEVICSXPJORRHO-ZDUSSCGKSA-N 1 0 300.427 3.258 10 0 DGAERO O=C(Cc1ccc2ccccc2c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186542441 165048645 /nfs/dbraw/zinc/04/86/45/165048645.db2.gz UVXCLGKFNHBWKF-GOSISDBHSA-N 1 0 308.425 3.125 10 0 DGAERO CSCc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000186559868 165049852 /nfs/dbraw/zinc/04/98/52/165049852.db2.gz RXTDZSURXMIAHX-CQSZACIVSA-N 1 0 322.449 3.045 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccoc3)no2)C1(CC)CC ZINC000187051869 165075604 /nfs/dbraw/zinc/07/56/04/165075604.db2.gz LUEJHCVMJMRDKM-UONOGXRCSA-N 1 0 319.405 3.403 10 0 DGAERO CCCc1cccc(C[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000187219337 165080697 /nfs/dbraw/zinc/08/06/97/165080697.db2.gz QXYNMRINNIVKRJ-QGZVFWFLSA-N 1 0 312.461 3.459 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCSCC1)c1ccc(-n2ccnn2)cc1 ZINC000187401272 165089143 /nfs/dbraw/zinc/08/91/43/165089143.db2.gz BAQFFOHXIGEHIF-ZIAGYGMSSA-N 1 0 316.474 3.450 10 0 DGAERO [NH3+]Cc1cc(C(=O)NC(c2cccs2)c2cccs2)co1 ZINC000187846436 165103626 /nfs/dbraw/zinc/10/36/26/165103626.db2.gz LIHQDFZRXNNHIM-UHFFFAOYSA-N 1 0 318.423 3.381 10 0 DGAERO Cc1cccc(-c2noc(C[N@@H+](C)[C@@]3(CO)CC[C@H](C)C3)n2)c1 ZINC000187962182 165106334 /nfs/dbraw/zinc/10/63/34/165106334.db2.gz XAYNPOQRSHKUAU-KSSFIOAISA-N 1 0 315.417 3.028 10 0 DGAERO OCCC1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000188061089 165110697 /nfs/dbraw/zinc/11/06/97/165110697.db2.gz BFIAQZHSMYOFQG-UHFFFAOYSA-N 1 0 322.880 3.057 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000188091043 165112960 /nfs/dbraw/zinc/11/29/60/165112960.db2.gz SFRKGFXQWRTSSM-KBPBESRZSA-N 1 0 321.490 3.007 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000188148103 165114538 /nfs/dbraw/zinc/11/45/38/165114538.db2.gz XMCYBASOASVARE-ZFWWWQNUSA-N 1 0 307.401 3.383 10 0 DGAERO O=C([C@H]1C[C@H]1c1ccc2ccccc2c1)N1CC[NH+]2CCC1CC2 ZINC000188616588 165131280 /nfs/dbraw/zinc/13/12/80/165131280.db2.gz INDBQHHNJHFAJV-PMACEKPBSA-N 1 0 320.436 3.250 10 0 DGAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000188963781 165143241 /nfs/dbraw/zinc/14/32/41/165143241.db2.gz SMNJWHQTHAELQE-RHSMWYFYSA-N 1 0 322.399 3.107 10 0 DGAERO Fc1cc(Cl)ccc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000189006733 165145137 /nfs/dbraw/zinc/14/51/37/165145137.db2.gz QQYRQRKTUWQNIN-AWEZNQCLSA-N 1 0 320.799 3.028 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000189622130 165170730 /nfs/dbraw/zinc/17/07/30/165170730.db2.gz VRCKNAQUYOYMOE-UHFFFAOYSA-N 1 0 323.506 3.253 10 0 DGAERO CC(C)(O)C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CC1 ZINC000189906802 165183064 /nfs/dbraw/zinc/18/30/64/165183064.db2.gz BNMDYPRWNBIOBT-UHFFFAOYSA-N 1 0 304.365 3.216 10 0 DGAERO CCCc1noc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000190177903 165191494 /nfs/dbraw/zinc/19/14/94/165191494.db2.gz XYQRBMFHDQSQOW-SNVBAGLBSA-N 1 0 305.344 3.433 10 0 DGAERO OC[C@H]1C[N@H+](CCc2ccccc2F)C[C@H]1c1ccsc1 ZINC000190283957 165195127 /nfs/dbraw/zinc/19/51/27/165195127.db2.gz DFZVCSNEMRSBNP-CVEARBPZSA-N 1 0 305.418 3.138 10 0 DGAERO CC[C@@H]1CCC[C@@H](C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)C1 ZINC000190421201 165202235 /nfs/dbraw/zinc/20/22/35/165202235.db2.gz HVOGGRLJMZWWPR-LVQVYYBASA-N 1 0 307.438 3.356 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCSC[C@H](C)C1 ZINC000190462021 165204736 /nfs/dbraw/zinc/20/47/36/165204736.db2.gz YTHZDHLFGHOARH-OLZOCXBDSA-N 1 0 303.431 3.483 10 0 DGAERO CCc1nnc(C2CC[NH+](CCCSCC(C)C)CC2)[nH]1 ZINC000190725274 165212992 /nfs/dbraw/zinc/21/29/92/165212992.db2.gz DLUGPAFANMISLW-UHFFFAOYSA-N 1 0 310.511 3.326 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000191058496 165229186 /nfs/dbraw/zinc/22/91/86/165229186.db2.gz HJCRLCBDUSMXKZ-DNVCBOLYSA-N 1 0 313.445 3.464 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cccc(-n2ccnc2)c1 ZINC000191078137 165229602 /nfs/dbraw/zinc/22/96/02/165229602.db2.gz STACRJUOXXLBQZ-KXBFYZLASA-N 1 0 313.445 3.464 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Br)o1 ZINC000191115328 165230694 /nfs/dbraw/zinc/23/06/94/165230694.db2.gz VDQDEZBZYBNVHA-NWDGAFQWSA-N 1 0 313.239 3.101 10 0 DGAERO CC(C)(C)n1cc(CN2CCC[C@H]2Cc2cccc(F)c2)nn1 ZINC000191260184 165240046 /nfs/dbraw/zinc/24/00/46/165240046.db2.gz SUFLJALNMLKDQF-KRWDZBQOSA-N 1 0 316.424 3.379 10 0 DGAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191582675 165259270 /nfs/dbraw/zinc/25/92/70/165259270.db2.gz YVCUGLKBJVWPFK-KSSFIOAISA-N 1 0 315.461 3.046 10 0 DGAERO CC1(C)C[N@H+](Cc2cccc(C(N)=O)c2)CC[C@@H]1C(F)(F)F ZINC000191659829 165262835 /nfs/dbraw/zinc/26/28/35/165262835.db2.gz IEOHFDDCJAYWLL-ZDUSSCGKSA-N 1 0 314.351 3.196 10 0 DGAERO CCCn1cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)cn1 ZINC000191715129 165266879 /nfs/dbraw/zinc/26/68/79/165266879.db2.gz KWZHYFZEHYCOPA-LPHOPBHVSA-N 1 0 315.461 3.013 10 0 DGAERO O=C1[C@H]([NH2+]CC2CCCCC2)CCN1Cc1ccc(F)cc1 ZINC000191763656 165267762 /nfs/dbraw/zinc/26/77/62/165267762.db2.gz ZJTFOZHFIVSCKB-QGZVFWFLSA-N 1 0 304.409 3.097 10 0 DGAERO Cc1c[nH+]ccc1N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000191979909 165277805 /nfs/dbraw/zinc/27/78/05/165277805.db2.gz OTWWKWGRFRNMFK-UHFFFAOYSA-N 1 0 301.434 3.055 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@H](CO)c1ccccc1 ZINC000192149144 165283586 /nfs/dbraw/zinc/28/35/86/165283586.db2.gz DLOUWFYCAXNTOC-LJQANCHMSA-N 1 0 307.397 3.004 10 0 DGAERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(F)cc1F ZINC000192710719 165303813 /nfs/dbraw/zinc/30/38/13/165303813.db2.gz BYDBTZRRAVAUTQ-GFCCVEGCSA-N 1 0 318.371 3.074 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)C2CCC2)c2ccc(F)cc2C1 ZINC000192735958 165304519 /nfs/dbraw/zinc/30/45/19/165304519.db2.gz MFUHRGNOZFRHJE-KZULUSFZSA-N 1 0 304.409 3.397 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000193208114 165320090 /nfs/dbraw/zinc/32/00/90/165320090.db2.gz BUGHOHSMQKKDEZ-UHFFFAOYSA-N 1 0 305.422 3.032 10 0 DGAERO COc1ccc(CC2CC[NH+](Cc3ccnc(N)c3)CC2)cc1 ZINC000193324025 165322503 /nfs/dbraw/zinc/32/25/03/165322503.db2.gz QBPDGIZYRKKLRY-UHFFFAOYSA-N 1 0 311.429 3.127 10 0 DGAERO FC(F)(F)COCC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000193525503 165326339 /nfs/dbraw/zinc/32/63/39/165326339.db2.gz HOFWUEJYOHMCIX-UHFFFAOYSA-N 1 0 303.324 3.109 10 0 DGAERO c1cc2n(c1)CCN(CCC[NH+]1CCCC1)[C@H]2c1ccccc1 ZINC000193468079 165327496 /nfs/dbraw/zinc/32/74/96/165327496.db2.gz XKEIZIXCUAUSES-FQEVSTJZSA-N 1 0 309.457 3.379 10 0 DGAERO C[C@@H]1C[N@@H+](C2CCN(Cc3sccc3Cl)CC2)CCO1 ZINC000194347393 165343406 /nfs/dbraw/zinc/34/34/06/165343406.db2.gz KFIFQMLQJREXNL-GFCCVEGCSA-N 1 0 314.882 3.087 10 0 DGAERO C[N@@H+]1Cc2ccc(N[C@@H](C(=O)NC3CC3)c3ccccc3)cc2C1 ZINC000194518330 165348130 /nfs/dbraw/zinc/34/81/30/165348130.db2.gz ADICPTDPMNOIFU-LJQANCHMSA-N 1 0 321.424 3.064 10 0 DGAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)NC1CCC(C)CC1 ZINC000194510232 165348257 /nfs/dbraw/zinc/34/82/57/165348257.db2.gz KXVKLAQUVSFBFH-UUCFBXCCSA-N 1 0 315.461 3.127 10 0 DGAERO C[N@@H+]1Cc2ccc(N[C@H](C(=O)NC3CC3)c3ccccc3)cc2C1 ZINC000194518314 165348706 /nfs/dbraw/zinc/34/87/06/165348706.db2.gz ADICPTDPMNOIFU-IBGZPJMESA-N 1 0 321.424 3.064 10 0 DGAERO C[C@@H](C[NH+]1CCC(c2nc(N(C)C)no2)CC1)c1ccccc1 ZINC000194752418 165354379 /nfs/dbraw/zinc/35/43/79/165354379.db2.gz JEHDQEWWOSJGRD-AWEZNQCLSA-N 1 0 314.433 3.119 10 0 DGAERO Cc1nccn1C[C@@H]1CCCN1C(=O)NCC(C(C)C)C(C)C ZINC000194914175 165358366 /nfs/dbraw/zinc/35/83/66/165358366.db2.gz HRZVMPVJXCLCMC-INIZCTEOSA-N 1 0 320.481 3.294 10 0 DGAERO Cc1cc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c(C)s1 ZINC000195028558 165359819 /nfs/dbraw/zinc/35/98/19/165359819.db2.gz WGZGQVVJJZSKMW-CYBMUJFWSA-N 1 0 308.491 3.050 10 0 DGAERO CC(C)NC(=O)CC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000195314089 165365459 /nfs/dbraw/zinc/36/54/59/165365459.db2.gz VWBGHPJNQNKPBM-GOSISDBHSA-N 1 0 300.446 3.443 10 0 DGAERO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195324287 165365498 /nfs/dbraw/zinc/36/54/98/165365498.db2.gz IHYBRNOWCQPBRY-CFVMTHIKSA-N 1 0 323.506 3.324 10 0 DGAERO COc1ccc(OCC[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195353811 165367643 /nfs/dbraw/zinc/36/76/43/165367643.db2.gz AWWJCEVJYWVZDA-AWEZNQCLSA-N 1 0 318.442 3.410 10 0 DGAERO CCc1csc([C@@H]2CCCN(Cc3ncc(Cl)n3C)C2)n1 ZINC000195377524 165369246 /nfs/dbraw/zinc/36/92/46/165369246.db2.gz LLRLOECUOIJGNE-LLVKDONJSA-N 1 0 324.881 3.472 10 0 DGAERO CCCCOC(=O)CCN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195439094 165370824 /nfs/dbraw/zinc/37/08/24/165370824.db2.gz VEHYMLVQBVZOEN-CYBMUJFWSA-N 1 0 309.410 3.063 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3cn4cc(C)ccc4n3)CC2)cn1 ZINC000195513044 165372288 /nfs/dbraw/zinc/37/22/88/165372288.db2.gz FNDQDKDKWKEKGO-UHFFFAOYSA-N 1 0 323.444 3.239 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(Cl)cc1Cl ZINC000245562963 165466751 /nfs/dbraw/zinc/46/67/51/165466751.db2.gz MPRJZNQLUZPPTC-JQWIXIFHSA-N 1 0 300.233 3.057 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000247324703 165578080 /nfs/dbraw/zinc/57/80/80/165578080.db2.gz IIUQYVBRVHIELL-NHYWBVRUSA-N 1 0 312.816 3.281 10 0 DGAERO C[C@](O)(C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1Cl ZINC000248803738 165650728 /nfs/dbraw/zinc/65/07/28/165650728.db2.gz JXLQCRYKVXNVRN-UOQGXUADSA-N 1 0 323.864 3.341 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000249365142 165673661 /nfs/dbraw/zinc/67/36/61/165673661.db2.gz URDAUSSEHOHCII-FHLIZLRMSA-N 1 0 315.461 3.015 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000261834848 165754596 /nfs/dbraw/zinc/75/45/96/165754596.db2.gz UJTJCYMRCSHSHM-DMDPSCGWSA-N 1 0 314.351 3.258 10 0 DGAERO CC1(C)CN(C(=O)CCCCCc2cccs2)CC[C@H]1[NH3+] ZINC000261938640 165767545 /nfs/dbraw/zinc/76/75/45/165767545.db2.gz JDRSXLXRVIXWTD-OAHLLOKOSA-N 1 0 308.491 3.437 10 0 DGAERO CCCOc1ccc(Cl)cc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261933196 165767966 /nfs/dbraw/zinc/76/79/66/165767966.db2.gz WMUVHHAJOZXMFN-OAHLLOKOSA-N 1 0 324.852 3.328 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000261950177 165770114 /nfs/dbraw/zinc/77/01/14/165770114.db2.gz HDDAHIFRUSYXPX-AQNXPRMDSA-N 1 0 322.452 3.462 10 0 DGAERO C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000262017611 165777725 /nfs/dbraw/zinc/77/77/25/165777725.db2.gz XDAHVNBSOTZETN-WDEREUQCSA-N 1 0 315.339 3.215 10 0 DGAERO CC1(C)CN(C(=O)c2cnc(-c3ccsc3)s2)CC[C@@H]1[NH3+] ZINC000262070810 165783951 /nfs/dbraw/zinc/78/39/51/165783951.db2.gz SKKGTFXGEKDKKI-LBPRGKRZSA-N 1 0 321.471 3.071 10 0 DGAERO C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000262124248 165788560 /nfs/dbraw/zinc/78/85/60/165788560.db2.gz WBJAYTDWRQIOEG-DLBZAZTESA-N 1 0 320.864 3.292 10 0 DGAERO CC(C)OCc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262404601 165801675 /nfs/dbraw/zinc/80/16/75/165801675.db2.gz ANIQLGOHYIOHPG-NXHRZFHOSA-N 1 0 316.445 3.471 10 0 DGAERO CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000262460785 165804298 /nfs/dbraw/zinc/80/42/98/165804298.db2.gz MLEKJEGIDHWJSI-ADEWGFFLSA-N 1 0 315.244 3.211 10 0 DGAERO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCCC2 ZINC000262481114 165805193 /nfs/dbraw/zinc/80/51/93/165805193.db2.gz JZOIFAVFVFHINK-KSSFIOAISA-N 1 0 300.446 3.275 10 0 DGAERO CC1CC[NH+](CCCCNC(=O)N2CCCC23CCC3)CC1 ZINC000365682663 287162437 /nfs/dbraw/zinc/16/24/37/287162437.db2.gz ZZFNUZSEQFHZNM-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO C=Cn1cc(CN2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)cn1 ZINC000365805765 287174277 /nfs/dbraw/zinc/17/42/77/287174277.db2.gz NALSVVKZYOFSSF-QGZVFWFLSA-N 1 0 310.445 3.080 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129264064 196034360 /nfs/dbraw/zinc/03/43/60/196034360.db2.gz NWFLGMONIJFQFO-FOSCPWQOSA-N 1 0 318.804 3.407 10 0 DGAERO CCc1cnccc1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000136690896 432159687 /nfs/dbraw/zinc/15/96/87/432159687.db2.gz RHSFTHUZJIDOGX-MRXNPFEDSA-N 1 0 315.417 3.050 10 0 DGAERO CC(C)CNC(=O)c1cccc(C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000171686128 432159764 /nfs/dbraw/zinc/15/97/64/432159764.db2.gz RPRAQKJOHZYKCA-AWEZNQCLSA-N 1 0 306.475 3.010 10 0 DGAERO CCCn1c(C)cc(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246741628 432161859 /nfs/dbraw/zinc/16/18/59/432161859.db2.gz YONJTOFXEAQEGJ-YOEHRIQHSA-N 1 0 319.493 3.112 10 0 DGAERO COc1ccc([C@@H]([NH2+]CCCn2ccnn2)c2ccccc2)cc1 ZINC000181981366 432153420 /nfs/dbraw/zinc/15/34/20/432153420.db2.gz WOWNTDQNZBQOLJ-IBGZPJMESA-N 1 0 322.412 3.056 10 0 DGAERO CCc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1C ZINC000182018759 432155283 /nfs/dbraw/zinc/15/52/83/432155283.db2.gz ZKIPCYVSGODBEF-WMLDXEAASA-N 1 0 301.434 3.258 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000246687141 432155451 /nfs/dbraw/zinc/15/54/51/432155451.db2.gz WFTILUBPTSPXDO-VKJFTORMSA-N 1 0 313.445 3.115 10 0 DGAERO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000190424567 432155980 /nfs/dbraw/zinc/15/59/80/432155980.db2.gz DXYAIGGYJVJYBK-YGRLFVJLSA-N 1 0 316.239 3.269 10 0 DGAERO Fc1ccccc1OCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171647180 432156808 /nfs/dbraw/zinc/15/68/08/432156808.db2.gz MWRLDUPLOTUSLL-OAHLLOKOSA-N 1 0 315.392 3.034 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2ccccc2)n1C ZINC000246718290 432156897 /nfs/dbraw/zinc/15/68/97/432156897.db2.gz LFFGVJYGLFBEOV-RDJZCZTQSA-N 1 0 323.440 3.001 10 0 DGAERO Cc1ccccc1C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190488088 432162621 /nfs/dbraw/zinc/16/26/21/432162621.db2.gz NKPVMAMUDMOALE-LJQANCHMSA-N 1 0 309.457 3.344 10 0 DGAERO CCOc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246790804 432163976 /nfs/dbraw/zinc/16/39/76/432163976.db2.gz IXVVMGDXSRRLPO-ZFWWWQNUSA-N 1 0 305.422 3.032 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@H]1CCCc2ccccc21 ZINC000246782364 432165144 /nfs/dbraw/zinc/16/51/44/432165144.db2.gz BFILLKWMLRMSNH-NXHRZFHOSA-N 1 0 312.457 3.192 10 0 DGAERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000190497401 432165209 /nfs/dbraw/zinc/16/52/09/432165209.db2.gz BKTSPJBHZBPZCJ-KRWDZBQOSA-N 1 0 324.509 3.305 10 0 DGAERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)CC1 ZINC000190505887 432165352 /nfs/dbraw/zinc/16/53/52/432165352.db2.gz JIHJHHKZNKIWGP-IRXDYDNUSA-N 1 0 322.493 3.223 10 0 DGAERO CC(C)Oc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000246789009 432165457 /nfs/dbraw/zinc/16/54/57/432165457.db2.gz IRDOEAXSWRAVCB-IAGOWNOFSA-N 1 0 307.459 3.180 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246778853 432165670 /nfs/dbraw/zinc/16/56/70/432165670.db2.gz BDLWTKSQPMYTAN-VKJFTORMSA-N 1 0 315.461 3.188 10 0 DGAERO CCC[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190569673 432172190 /nfs/dbraw/zinc/17/21/90/432172190.db2.gz DNRDXTBBJHZWHD-HIFRSBDPSA-N 1 0 323.506 3.168 10 0 DGAERO Fc1ccc(CN2CCS[C@@H]3COCC[C@H]32)c(Cl)c1 ZINC000246810319 432169087 /nfs/dbraw/zinc/16/90/87/432169087.db2.gz JKGGISXRISSRIY-ZIAGYGMSSA-N 1 0 301.814 3.185 10 0 DGAERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000190646923 432177891 /nfs/dbraw/zinc/17/78/91/432177891.db2.gz WIDLBKMOKZLVJG-LLVKDONJSA-N 1 0 319.323 3.389 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000137618610 432178589 /nfs/dbraw/zinc/17/85/89/432178589.db2.gz IYRCIDVSBANPBW-HOTGVXAUSA-N 1 0 304.434 3.131 10 0 DGAERO CCOCc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246888938 432178712 /nfs/dbraw/zinc/17/87/12/432178712.db2.gz WZXXIXJWJQEZFE-WMLDXEAASA-N 1 0 319.449 3.170 10 0 DGAERO CCC[C@@H](C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190642230 432179045 /nfs/dbraw/zinc/17/90/45/432179045.db2.gz RXSKMBGVISUCKZ-SJLPKXTDSA-N 1 0 317.477 3.188 10 0 DGAERO CCc1ccc([C@@H](C)CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246935215 432182489 /nfs/dbraw/zinc/18/24/89/432182489.db2.gz DSWNVPIIFNRREU-YJBOKZPZSA-N 1 0 300.446 3.049 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1OC ZINC000246918569 432181327 /nfs/dbraw/zinc/18/13/27/432181327.db2.gz FYVOJJMHVWEUIC-JOKNJTHLSA-N 1 0 313.397 3.013 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccccc1C ZINC000246925126 432181422 /nfs/dbraw/zinc/18/14/22/432181422.db2.gz JFZHCNIKLZUFEX-MSOLQXFVSA-N 1 0 300.446 3.013 10 0 DGAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000171899757 432181759 /nfs/dbraw/zinc/18/17/59/432181759.db2.gz ACZXEDCTCYLVMN-CVEARBPZSA-N 1 0 321.852 3.281 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC/C=C/c2ccccc2)C1 ZINC000246868993 432174061 /nfs/dbraw/zinc/17/40/61/432174061.db2.gz UNGASWFBHRXUDY-XYCCBJPKSA-N 1 0 312.457 3.423 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1oc2ccccc2c1C ZINC000246878699 432175629 /nfs/dbraw/zinc/17/56/29/432175629.db2.gz FPCHSMCSCZGWBK-GJZGRUSLSA-N 1 0 312.413 3.440 10 0 DGAERO Cc1ccc2nc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000246935658 432183457 /nfs/dbraw/zinc/18/34/57/432183457.db2.gz TYBIRAAKECIRNQ-LPHOPBHVSA-N 1 0 324.472 3.091 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000139607672 432185280 /nfs/dbraw/zinc/18/52/80/432185280.db2.gz BDKDKBDRBIJCDN-HOTGVXAUSA-N 1 0 303.450 3.167 10 0 DGAERO Clc1cccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000171942086 432186257 /nfs/dbraw/zinc/18/62/57/432186257.db2.gz FXFPOLGRCJNYCS-KRWDZBQOSA-N 1 0 308.853 3.027 10 0 DGAERO COc1ccc([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(OC)c1 ZINC000246983802 432187791 /nfs/dbraw/zinc/18/77/91/432187791.db2.gz JTZWVYXHJUYDFW-GRDNDAEWSA-N 1 0 306.450 3.083 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)COCc1ccc(OC)cc1 ZINC000150740541 432189393 /nfs/dbraw/zinc/18/93/93/432189393.db2.gz GHDSBDFMDMQPDD-ROUUACIJSA-N 1 0 321.461 3.227 10 0 DGAERO CCOc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)ccc1C ZINC000247008422 432189619 /nfs/dbraw/zinc/18/96/19/432189619.db2.gz QVCVKGMPYIPXDX-IRXDYDNUSA-N 1 0 316.445 3.093 10 0 DGAERO CC[C@H]1CCCCCN1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000150769921 432189785 /nfs/dbraw/zinc/18/97/85/432189785.db2.gz ZTSRLBQBBNIENK-SJORKVTESA-N 1 0 309.498 3.329 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)nc2ccccc21 ZINC000247017173 432191204 /nfs/dbraw/zinc/19/12/04/432191204.db2.gz SCSMLNXLBKAQQM-CVEARBPZSA-N 1 0 323.440 3.242 10 0 DGAERO C[C@H]1C[N@H+](CCc2cccnc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000247024746 432191290 /nfs/dbraw/zinc/19/12/90/432191290.db2.gz USFLBTZCTZJNLK-KSSFIOAISA-N 1 0 300.377 3.225 10 0 DGAERO CC(C)C[C@H](C)OCCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000150867822 432198708 /nfs/dbraw/zinc/19/87/08/432198708.db2.gz XDIBBCZEGJXRQH-ROUUACIJSA-N 1 0 324.509 3.305 10 0 DGAERO CCC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000247033987 432194718 /nfs/dbraw/zinc/19/47/18/432194718.db2.gz GLABCSKGUQHGSI-NXHRZFHOSA-N 1 0 315.461 3.406 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)c1 ZINC000247064991 432197541 /nfs/dbraw/zinc/19/75/41/432197541.db2.gz GDNMPTGFUBNOJO-DLBZAZTESA-N 1 0 319.836 3.215 10 0 DGAERO COc1ccccc1CCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000182536873 432201577 /nfs/dbraw/zinc/20/15/77/432201577.db2.gz PHFLJMYQJFGQTC-GOSISDBHSA-N 1 0 313.445 3.297 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c(F)c1 ZINC000130465709 196085047 /nfs/dbraw/zinc/08/50/47/196085047.db2.gz XYEUZBXHRRACNY-SJKOYZFVSA-N 1 0 319.376 3.227 10 0 DGAERO CCC1([NH2+]Cc2ccc(OC(=O)C3CC3)c(OC)c2)CCC1 ZINC000182538816 432200701 /nfs/dbraw/zinc/20/07/01/432200701.db2.gz RPPACZGETUQTGY-UHFFFAOYSA-N 1 0 303.402 3.433 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000247089664 432202542 /nfs/dbraw/zinc/20/25/42/432202542.db2.gz NWXXUMZHLRJRLA-PIKADFDJSA-N 1 0 319.445 3.320 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000130565815 196091925 /nfs/dbraw/zinc/09/19/25/196091925.db2.gz BCQWGIWKYNQSFV-HIFRSBDPSA-N 1 0 318.442 3.161 10 0 DGAERO C[C@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)O1 ZINC000130571580 196092700 /nfs/dbraw/zinc/09/27/00/196092700.db2.gz XAAOLDXXQPWJKO-YOEHRIQHSA-N 1 0 302.418 3.179 10 0 DGAERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)cc1 ZINC000130596742 196094312 /nfs/dbraw/zinc/09/43/12/196094312.db2.gz YJHIQILZAVRUAC-RDTXWAMCSA-N 1 0 315.413 3.478 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000247137796 432206542 /nfs/dbraw/zinc/20/65/42/432206542.db2.gz HOPSARQOOPRADK-HYVNUMGLSA-N 1 0 315.461 3.243 10 0 DGAERO CC1(C)C[N@H+](CCCCCn2cccn2)CC2(CCCC2)O1 ZINC000190972806 432207664 /nfs/dbraw/zinc/20/76/64/432207664.db2.gz PGZLZPZIARDQNV-UHFFFAOYSA-N 1 0 305.466 3.477 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(CC(C)C)n2)[C@@H](C)C1 ZINC000247167172 432208077 /nfs/dbraw/zinc/20/80/77/432208077.db2.gz AQGDNBALYPERQJ-ZFWWWQNUSA-N 1 0 323.506 3.144 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc2ccccc2c1 ZINC000247173665 432208599 /nfs/dbraw/zinc/20/85/99/432208599.db2.gz KTZHNWDQSGRUBJ-UZLBHIALSA-N 1 0 322.452 3.468 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(c3ccccc3)C(=O)O2)o1 ZINC000182598909 432209151 /nfs/dbraw/zinc/20/91/51/432209151.db2.gz IBSUBAVLJKAGHI-ZFWWWQNUSA-N 1 0 300.358 3.264 10 0 DGAERO C[C@H](CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)CC(C)(C)C ZINC000190982953 432209290 /nfs/dbraw/zinc/20/92/90/432209290.db2.gz AODGAGVZCPJNKR-HZPDHXFCSA-N 1 0 307.482 3.105 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)C(=O)O2)o1 ZINC000182598871 432209306 /nfs/dbraw/zinc/20/93/06/432209306.db2.gz IBSUBAVLJKAGHI-DZGCQCFKSA-N 1 0 300.358 3.264 10 0 DGAERO CCCOc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247186568 432209490 /nfs/dbraw/zinc/20/94/90/432209490.db2.gz BHELHYRKCFIHNQ-GOEBONIOSA-N 1 0 304.434 3.030 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc2ccccc2n1C(F)F ZINC000247213849 432211573 /nfs/dbraw/zinc/21/15/73/432211573.db2.gz MBHDXPOWTZZTLL-OLZOCXBDSA-N 1 0 320.387 3.100 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247234003 432212414 /nfs/dbraw/zinc/21/24/14/432212414.db2.gz MTTCVGOOEIEPLQ-RYRKJORJSA-N 1 0 315.461 3.243 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000191020078 432212796 /nfs/dbraw/zinc/21/27/96/432212796.db2.gz FJDDCMSUCZJQHT-AWEZNQCLSA-N 1 0 321.465 3.176 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1O ZINC000247226169 432213427 /nfs/dbraw/zinc/21/34/27/432213427.db2.gz WCNXNPYHCAYLMO-GOEBONIOSA-N 1 0 317.385 3.082 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000247249395 432214778 /nfs/dbraw/zinc/21/47/78/432214778.db2.gz YSXQVTDSBDKWEZ-RVKKMQEKSA-N 1 0 318.461 3.144 10 0 DGAERO C[C@H](SCc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247250711 432215582 /nfs/dbraw/zinc/21/55/82/432215582.db2.gz DQUZBJBMJLUNLO-HLLBOEOZSA-N 1 0 320.502 3.249 10 0 DGAERO Cn1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)cn1 ZINC000247243625 432215679 /nfs/dbraw/zinc/21/56/79/432215679.db2.gz TXYHJMUKJRKFHN-JKSUJKDBSA-N 1 0 319.474 3.350 10 0 DGAERO Cc1cc(NCc2ccc(O)c(F)c2)nc(-c2cccnc2)n1 ZINC000150923161 432203951 /nfs/dbraw/zinc/20/39/51/432203951.db2.gz MNTGBXDWKALMDH-UHFFFAOYSA-N 1 0 310.332 3.304 10 0 DGAERO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2)CC2(CCCC2)O1 ZINC000190958858 432205564 /nfs/dbraw/zinc/20/55/64/432205564.db2.gz JHJKNFRZVDSCEJ-UHFFFAOYSA-N 1 0 316.445 3.439 10 0 DGAERO CCC(CC)NC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000172298756 432206172 /nfs/dbraw/zinc/20/61/72/432206172.db2.gz WJKOXLCONCKFNP-UHFFFAOYSA-N 1 0 305.466 3.257 10 0 DGAERO Cc1ccccc1OCCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247372768 432226141 /nfs/dbraw/zinc/22/61/41/432226141.db2.gz KXZRQSWAITZNGQ-IRXDYDNUSA-N 1 0 318.461 3.095 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000247376527 432226381 /nfs/dbraw/zinc/22/63/81/432226381.db2.gz LDVQYUAMVPBDOL-BXUZGUMPSA-N 1 0 320.820 3.498 10 0 DGAERO CCc1oc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000131488011 196173405 /nfs/dbraw/zinc/17/34/05/196173405.db2.gz FDMBKXHVSNSATI-HNNXBMFYSA-N 1 0 304.434 3.098 10 0 DGAERO CCOC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000131523721 196177165 /nfs/dbraw/zinc/17/71/65/196177165.db2.gz GOVBZCYOVJILAW-CYBMUJFWSA-N 1 0 310.463 3.399 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000172503495 432218490 /nfs/dbraw/zinc/21/84/90/432218490.db2.gz YGKGWOUUDKKWFJ-HNNXBMFYSA-N 1 0 321.465 3.178 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)[C@H](C)c2cccs2)C1 ZINC000247271017 432219427 /nfs/dbraw/zinc/21/94/27/432219427.db2.gz JWYUSSATXRQKPQ-MGPQQGTHSA-N 1 0 309.479 3.179 10 0 DGAERO CCOc1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000151107384 432219772 /nfs/dbraw/zinc/21/97/72/432219772.db2.gz CPONDTJFNAOREE-QGZVFWFLSA-N 1 0 311.429 3.414 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000172613022 432223319 /nfs/dbraw/zinc/22/33/19/432223319.db2.gz GSUKZSCRJFCQGG-QGZVFWFLSA-N 1 0 310.397 3.002 10 0 DGAERO O=C(C[C@H]1CSCC[NH2+]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000131759148 196197103 /nfs/dbraw/zinc/19/71/03/196197103.db2.gz YRNWAAQZRCJBLJ-GOEBONIOSA-N 1 0 324.877 3.002 10 0 DGAERO CSCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000132163183 196231287 /nfs/dbraw/zinc/23/12/87/196231287.db2.gz RSOVZURWSYRNTD-NVXWUHKLSA-N 1 0 320.502 3.251 10 0 DGAERO C[C@H]1CC[C@@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)O1 ZINC000132277745 196241440 /nfs/dbraw/zinc/24/14/40/196241440.db2.gz QJUWRHSFRNQOOH-VKJFTORMSA-N 1 0 316.445 3.425 10 0 DGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000132731007 196278907 /nfs/dbraw/zinc/27/89/07/196278907.db2.gz SVXWKSDVUDTWPG-GJZGRUSLSA-N 1 0 314.395 3.434 10 0 DGAERO Fc1ccc2oc(CN3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000132752982 196280724 /nfs/dbraw/zinc/28/07/24/196280724.db2.gz HBSRIUQEDRQVIE-UHFFFAOYSA-N 1 0 303.381 3.027 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000132766758 196281838 /nfs/dbraw/zinc/28/18/38/196281838.db2.gz MOISGEJYZISNIB-DLBZAZTESA-N 1 0 306.356 3.401 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000133304114 196328975 /nfs/dbraw/zinc/32/89/75/196328975.db2.gz MWGHPBZXXABIKX-AWEZNQCLSA-N 1 0 314.351 3.006 10 0 DGAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000134239011 196372917 /nfs/dbraw/zinc/37/29/17/196372917.db2.gz NRPBWGWPXXMKST-PRHODGIISA-N 1 0 304.615 3.370 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1F ZINC000134528929 196399252 /nfs/dbraw/zinc/39/92/52/196399252.db2.gz MRCUKFYOYGYMFM-UHFFFAOYSA-N 1 0 304.752 3.012 10 0 DGAERO c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136688592 196547511 /nfs/dbraw/zinc/54/75/11/196547511.db2.gz AYYFOSYRQCEXGB-QGZVFWFLSA-N 1 0 315.461 3.263 10 0 DGAERO c1nnc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000297433189 227154955 /nfs/dbraw/zinc/15/49/55/227154955.db2.gz ICRHUFLVAORVLO-HOTGVXAUSA-N 1 0 314.458 3.029 10 0 DGAERO C[C@@H](O)[C@@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000162863653 228259572 /nfs/dbraw/zinc/25/95/72/228259572.db2.gz DUZOIMUGQXOPIV-GHMZBOCLSA-N 1 0 304.217 3.075 10 0 DGAERO Cc1ccccc1[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000175754675 228305503 /nfs/dbraw/zinc/30/55/03/228305503.db2.gz KOIIIDNJZZMUKM-DOTOQJQBSA-N 1 0 317.477 3.428 10 0 DGAERO c1cc(-c2noc(CN3CCS[C@@H]4CCCC[C@@H]43)n2)co1 ZINC000177210639 228328107 /nfs/dbraw/zinc/32/81/07/228328107.db2.gz QIKQYGCOPPWURD-QWHCGFSZSA-N 1 0 305.403 3.190 10 0 DGAERO Cc1ccc(NC(=O)[C@H](C)N2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000178707811 228345238 /nfs/dbraw/zinc/34/52/38/228345238.db2.gz WBQFXTNTZGMTCQ-ZDUSSCGKSA-N 1 0 323.868 3.001 10 0 DGAERO CN(CC1CCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178720905 228345246 /nfs/dbraw/zinc/34/52/46/228345246.db2.gz RGQONLGBDZZOPD-UHFFFAOYSA-N 1 0 309.498 3.329 10 0 DGAERO COC[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1CCOCC1 ZINC000188293745 228456000 /nfs/dbraw/zinc/45/60/00/228456000.db2.gz REBCHGXZAJGTPO-QZTJIDSGSA-N 1 0 307.409 3.234 10 0 DGAERO COCCOc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)cc1 ZINC000189237786 228478226 /nfs/dbraw/zinc/47/82/26/228478226.db2.gz ONPMPNUTNAFXQE-AEFFLSMTSA-N 1 0 321.461 3.253 10 0 DGAERO CC[C@H](C)[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261816342 287634166 /nfs/dbraw/zinc/63/41/66/287634166.db2.gz AGJCFXNGVHEGLC-BHYGNILZSA-N 1 0 302.462 3.402 10 0 DGAERO Cc1nc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(C)s1 ZINC000179211691 263554292 /nfs/dbraw/zinc/55/42/92/263554292.db2.gz GYPNFCSSJIEAPK-LLVKDONJSA-N 1 0 309.479 3.000 10 0 DGAERO Cc1ccc(C[C@H](C)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000181352177 263580111 /nfs/dbraw/zinc/58/01/11/263580111.db2.gz APPDODPFXFPDOH-IVMQYODDSA-N 1 0 316.489 3.410 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000185196913 263629788 /nfs/dbraw/zinc/62/97/88/263629788.db2.gz JSJHHRDPXDOSSI-MRXNPFEDSA-N 1 0 302.462 3.233 10 0 DGAERO COc1cc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)ccc1SC ZINC000187895712 263682099 /nfs/dbraw/zinc/68/20/99/263682099.db2.gz AVVFBYFICNHXTO-SUMWQHHRSA-N 1 0 309.475 3.400 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191146282 263749503 /nfs/dbraw/zinc/74/95/03/263749503.db2.gz LHOGPZXIYNJALX-LBPRGKRZSA-N 1 0 317.481 3.190 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC000194288445 263809577 /nfs/dbraw/zinc/80/95/77/263809577.db2.gz HGVHSLCCQXLZTO-KDOFPFPSSA-N 1 0 321.465 3.240 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OC(C)C)cc2)C1 ZINC000194343633 263811064 /nfs/dbraw/zinc/81/10/64/263811064.db2.gz MCPQNIACCZNWSD-HNNXBMFYSA-N 1 0 305.422 3.080 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000250214571 263870010 /nfs/dbraw/zinc/87/00/10/263870010.db2.gz NTNPPQKBUHGRHD-CWRNSKLLSA-N 1 0 324.262 3.057 10 0 DGAERO c1cc(-c2n[nH]cc2-c2nc(-c3ccn4c[nH+]cc4c3)no2)co1 ZINC000347181548 264171606 /nfs/dbraw/zinc/17/16/06/264171606.db2.gz QZISNGPLXZSCBA-UHFFFAOYSA-N 1 0 318.296 3.034 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCOCc1ccccc1 ZINC000347486434 264228595 /nfs/dbraw/zinc/22/85/95/264228595.db2.gz RIKZRMIAAWFUIK-PKOBYXMFSA-N 1 0 302.462 3.152 10 0 DGAERO Cc1ccccc1C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247414638 432228789 /nfs/dbraw/zinc/22/87/89/432228789.db2.gz NNCNLAXWILTELS-HOTGVXAUSA-N 1 0 302.462 3.214 10 0 DGAERO CC(C)COc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000247471306 432231599 /nfs/dbraw/zinc/23/15/99/432231599.db2.gz RSBJNMRTJOCYQZ-RDJZCZTQSA-N 1 0 316.445 3.030 10 0 DGAERO c1c(C2CCC2)nn2ccnc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c12 ZINC000631067357 424829245 /nfs/dbraw/zinc/82/92/45/424829245.db2.gz YWTPXGHCYSCAIR-HUUCEWRRSA-N 1 0 311.433 3.036 10 0 DGAERO c1c(C2CC2)nn2ccnc(NC3CC[NH+](C4CCC4)CC3)c12 ZINC000631296062 424833336 /nfs/dbraw/zinc/83/33/36/424833336.db2.gz ZHFHZDBVLPJQNY-UHFFFAOYSA-N 1 0 311.433 3.036 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(Br)cn1 ZINC000355488242 266090991 /nfs/dbraw/zinc/09/09/91/266090991.db2.gz UTIGXZUIQROQCS-UTUOFQBUSA-N 1 0 313.239 3.310 10 0 DGAERO c1cc(CC[N@@H+]2CCC[C@]3(CCCOC3)C2)cc2c1OCC2 ZINC000355749805 266173249 /nfs/dbraw/zinc/17/32/49/266173249.db2.gz SUWFPKSQJQKXKX-IBGZPJMESA-N 1 0 301.430 3.057 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356235400 266327707 /nfs/dbraw/zinc/32/77/07/266327707.db2.gz STFNTPKFXDCQGL-WBVHZDCISA-N 1 0 318.461 3.189 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191186156 432233067 /nfs/dbraw/zinc/23/30/67/432233067.db2.gz FIGFHVOKGRAUEI-HOTGVXAUSA-N 1 0 318.461 3.256 10 0 DGAERO C[C@](O)(C[N@@H+]1CCO[C@@H](c2cccs2)C1)c1ccccc1 ZINC000247477905 432233436 /nfs/dbraw/zinc/23/34/36/432233436.db2.gz QTFYMDVDQJTMNB-WBVHZDCISA-N 1 0 303.427 3.029 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/c2ccnc3ccccc23)C1 ZINC000247489811 432236257 /nfs/dbraw/zinc/23/62/57/432236257.db2.gz WULCXQGNXZMKJU-XNLPSNFCSA-N 1 0 323.440 3.093 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCCSCC(C)C ZINC000151273846 432235196 /nfs/dbraw/zinc/23/51/96/432235196.db2.gz FOWIBLSEFQVNJA-OAHLLOKOSA-N 1 0 300.512 3.099 10 0 DGAERO C[C@@H]1CCc2c(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)csc2C1 ZINC000247521632 432237450 /nfs/dbraw/zinc/23/74/50/432237450.db2.gz WLPFYPXDRIMATG-HZSPNIEDSA-N 1 0 320.502 3.428 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1 ZINC000247541141 432239704 /nfs/dbraw/zinc/23/97/04/432239704.db2.gz PCRZVYJEZUQYDG-GJZGRUSLSA-N 1 0 307.825 3.431 10 0 DGAERO Cc1ccc2c(C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)cc(=O)oc2c1C ZINC000191272105 432241983 /nfs/dbraw/zinc/24/19/83/432241983.db2.gz SLRFINSUCKUEBJ-STQMWFEESA-N 1 0 315.413 3.144 10 0 DGAERO CCc1cnccc1C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000182929632 432242950 /nfs/dbraw/zinc/24/29/50/432242950.db2.gz NUNUKXLFVHBXRH-QGZVFWFLSA-N 1 0 321.424 3.269 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCc3cccc(F)c3)[C@@H]2C1 ZINC000182933854 432242983 /nfs/dbraw/zinc/24/29/83/432242983.db2.gz BHEGDWPCNIPOIG-KZNAEPCWSA-N 1 0 307.409 3.027 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)cc1F ZINC000247694505 432246402 /nfs/dbraw/zinc/24/64/02/432246402.db2.gz WLMDJQLOUXQVNM-OLZOCXBDSA-N 1 0 309.360 3.055 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307399 270968114 /nfs/dbraw/zinc/96/81/14/270968114.db2.gz OELQDMDPBKTJBL-NSHDSACASA-N 1 0 311.223 3.086 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000172979128 432250052 /nfs/dbraw/zinc/25/00/52/432250052.db2.gz VEDNUPACXHOOOF-QGZVFWFLSA-N 1 0 307.397 3.201 10 0 DGAERO CC(C)[C@H](CC(=O)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000103188731 270972567 /nfs/dbraw/zinc/97/25/67/270972567.db2.gz QVEKNPOLFUEOMA-SFHVURJKSA-N 1 0 302.462 3.369 10 0 DGAERO Cn1cc(CN2CCC[N@@H+]([C@H]3CCCc4ccccc43)CC2)cn1 ZINC000247775792 432249833 /nfs/dbraw/zinc/24/98/33/432249833.db2.gz QNTIFBDIKSAXGO-FQEVSTJZSA-N 1 0 324.472 3.005 10 0 DGAERO Cc1cc(N2CCCC2)ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000362458923 271017815 /nfs/dbraw/zinc/01/78/15/271017815.db2.gz FQUHNRREFRZEKK-UHFFFAOYSA-N 1 0 315.461 3.266 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1ccccc1OC1CCCC1)CC2 ZINC000368080468 271131670 /nfs/dbraw/zinc/13/16/70/271131670.db2.gz CWWLMUSSEJMDEB-HNNXBMFYSA-N 1 0 311.429 3.378 10 0 DGAERO CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C1CC1 ZINC000368616187 271181245 /nfs/dbraw/zinc/18/12/45/271181245.db2.gz SBDIEMIRFPAVEC-AZUAARDMSA-N 1 0 324.472 3.287 10 0 DGAERO COc1cccc(C[N@@H+]2CC[C@H](O)c3ccccc3C2)c1OC ZINC000368819537 271212408 /nfs/dbraw/zinc/21/24/08/271212408.db2.gz VLUMDJDPRPIBJL-KRWDZBQOSA-N 1 0 313.397 3.143 10 0 DGAERO c1ccc(N2CCC(Nc3cc[nH+]c4ccccc34)CC2)nc1 ZINC000369149715 271247448 /nfs/dbraw/zinc/24/74/48/271247448.db2.gz PUGCRWDQNPOFTH-UHFFFAOYSA-N 1 0 304.397 3.133 10 0 DGAERO COc1cc(C[NH+]2CCC(c3nccc(C)n3)CC2)ccc1C ZINC000369318297 271261791 /nfs/dbraw/zinc/26/17/91/271261791.db2.gz AZCFCXLDTVPPFE-UHFFFAOYSA-N 1 0 311.429 3.482 10 0 DGAERO CC(C)CSCCC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369555555 271292105 /nfs/dbraw/zinc/29/21/05/271292105.db2.gz DVKUOPMASJOOOI-MRXNPFEDSA-N 1 0 301.496 3.036 10 0 DGAERO O=C(N[C@H]1CCC[NH2+]CC1)c1cccc(OCc2ccccc2)c1 ZINC000369939534 271329768 /nfs/dbraw/zinc/32/97/68/271329768.db2.gz KMEAZFOBNNJTPR-SFHVURJKSA-N 1 0 324.424 3.138 10 0 DGAERO O=C(N[C@@H]1CCC[NH2+]CC1)c1cccc(OCc2ccccc2)c1 ZINC000369939533 271330451 /nfs/dbraw/zinc/33/04/51/271330451.db2.gz KMEAZFOBNNJTPR-GOSISDBHSA-N 1 0 324.424 3.138 10 0 DGAERO c1ncn(CC[N@@H+]2CCC[C@]3(C2)CCCCc2ccccc23)n1 ZINC000370463064 271361114 /nfs/dbraw/zinc/36/11/14/271361114.db2.gz JIMAIHZODZJSEU-IBGZPJMESA-N 1 0 310.445 3.038 10 0 DGAERO Cn1nccc1[C@H]1CCCC[N@@H+]1CCCC(=O)OC(C)(C)C ZINC000370712662 271385060 /nfs/dbraw/zinc/38/50/60/271385060.db2.gz XMAUBVFVMPRMGM-OAHLLOKOSA-N 1 0 307.438 3.069 10 0 DGAERO COc1ccc(OC)c(C[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000370735348 271386513 /nfs/dbraw/zinc/38/65/13/271386513.db2.gz BHJVRVQTDLZSCR-UHFFFAOYSA-N 1 0 312.413 3.310 10 0 DGAERO Clc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000371407702 271439026 /nfs/dbraw/zinc/43/90/26/271439026.db2.gz RYTVFAMHMUQIHZ-IAQYHMDHSA-N 1 0 316.228 3.421 10 0 DGAERO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247809864 432251164 /nfs/dbraw/zinc/25/11/64/432251164.db2.gz UNGAOSBATNXGBX-OXQOHEQNSA-N 1 0 321.424 3.498 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc2nc(C)ccc2c1 ZINC000151483917 432251128 /nfs/dbraw/zinc/25/11/28/432251128.db2.gz YVTYMZQIPBISQQ-QGZVFWFLSA-N 1 0 311.429 3.100 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000247933530 432253840 /nfs/dbraw/zinc/25/38/40/432253840.db2.gz CGRQLVOQHMGIGL-OYYNGEPBSA-N 1 0 313.397 3.013 10 0 DGAERO C[C@H]1CCCC[C@H]1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000183057691 432254317 /nfs/dbraw/zinc/25/43/17/432254317.db2.gz AMJHQJUPGKEIAS-ROUUACIJSA-N 1 0 318.509 3.106 10 0 DGAERO C[C@H]1CCCC[C@@H]1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000183057648 432255221 /nfs/dbraw/zinc/25/52/21/432255221.db2.gz AMJHQJUPGKEIAS-ZWKOTPCHSA-N 1 0 318.509 3.106 10 0 DGAERO CSc1ccsc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247971796 432255932 /nfs/dbraw/zinc/25/59/32/432255932.db2.gz HKGGSSIWAKJKMO-VXGBXAGGSA-N 1 0 310.488 3.026 10 0 DGAERO CC1(C)CN(C(=O)Cc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000261998207 273582681 /nfs/dbraw/zinc/58/26/81/273582681.db2.gz NGCROZVWGBCNET-CYBMUJFWSA-N 1 0 315.244 3.122 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191377071 432257121 /nfs/dbraw/zinc/25/71/21/432257121.db2.gz DGWAZOWUWLOJLB-IAQYHMDHSA-N 1 0 316.453 3.032 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@@H]2SCCc3ccccc32)CCOCC1 ZINC000453126325 274015117 /nfs/dbraw/zinc/01/51/17/274015117.db2.gz IFRYEZHZGLBMIF-PBHICJAKSA-N 1 0 321.486 3.191 10 0 DGAERO C[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)[C@H](C[NH3+])C1 ZINC000261650948 274305018 /nfs/dbraw/zinc/30/50/18/274305018.db2.gz RXENCUYTTDQUEY-SCZZXKLOSA-N 1 0 307.747 3.317 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCCn2ncnc21)CC3 ZINC000180731311 274766775 /nfs/dbraw/zinc/76/67/75/274766775.db2.gz HXBJUPFLYJRQAM-UGSOOPFHSA-N 1 0 321.428 3.050 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1(C)OCCCO1)CC3 ZINC000190654551 274767180 /nfs/dbraw/zinc/76/71/80/274767180.db2.gz JGRNMNOUCYNCRA-CQSZACIVSA-N 1 0 314.429 3.076 10 0 DGAERO Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCCc3c2cnn3C)n1 ZINC000127578535 274814435 /nfs/dbraw/zinc/81/44/35/274814435.db2.gz UIBINVMRGLJOLY-QGZVFWFLSA-N 1 0 321.428 3.081 10 0 DGAERO c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172806006 275068966 /nfs/dbraw/zinc/06/89/66/275068966.db2.gz CTJGIEFHMCKUOM-MRXNPFEDSA-N 1 0 320.436 3.163 10 0 DGAERO c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172806003 275069046 /nfs/dbraw/zinc/06/90/46/275069046.db2.gz CTJGIEFHMCKUOM-INIZCTEOSA-N 1 0 320.436 3.163 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(-c4ccc5nsnc5c4)n3)cc12 ZINC000447961634 275077457 /nfs/dbraw/zinc/07/74/57/275077457.db2.gz HTHQFLYPWUJLAO-UHFFFAOYSA-N 1 0 320.337 3.056 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]CC1=CCCOC1)CCO2 ZINC000269259761 275371640 /nfs/dbraw/zinc/37/16/40/275371640.db2.gz BNNTYRPGUVERHM-AWEZNQCLSA-N 1 0 324.218 3.209 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cc[nH]c1)CCO2 ZINC000267936650 275371680 /nfs/dbraw/zinc/37/16/80/275371680.db2.gz OOANYYWNNSUXSN-ZDUSSCGKSA-N 1 0 307.191 3.391 10 0 DGAERO Brc1ccnc(N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000302541606 275375673 /nfs/dbraw/zinc/37/56/73/275375673.db2.gz FYNNMBZYVJUPSI-AWEZNQCLSA-N 1 0 324.266 3.299 10 0 DGAERO CC(=O)c1nc(N2CCCC[C@@H]([NH+]3CCCC3)C2)sc1C ZINC000450324482 275507272 /nfs/dbraw/zinc/50/72/72/275507272.db2.gz PHWRGYIXINFRRL-CQSZACIVSA-N 1 0 307.463 3.109 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000134124655 275557903 /nfs/dbraw/zinc/55/79/03/275557903.db2.gz HYBMRONGKBGFPJ-QGZVFWFLSA-N 1 0 304.409 3.050 10 0 DGAERO CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)CCC2 ZINC000333532799 275750995 /nfs/dbraw/zinc/75/09/95/275750995.db2.gz IFLKTVNLXIUFBA-DOPJRALCSA-N 1 0 315.461 3.319 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000262567736 275815575 /nfs/dbraw/zinc/81/55/75/275815575.db2.gz WZVOCAYPEILOOF-MRXNPFEDSA-N 1 0 301.434 3.004 10 0 DGAERO CC1(C)CC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000330259078 275827694 /nfs/dbraw/zinc/82/76/94/275827694.db2.gz NBACAASMELAAAM-UKRRQHHQSA-N 1 0 311.433 3.208 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](c2ccc(C)cc2C)C1 ZINC000473516222 276006513 /nfs/dbraw/zinc/00/65/13/276006513.db2.gz AGAPBAOMHXJMRZ-PKOBYXMFSA-N 1 0 314.473 3.494 10 0 DGAERO CCC[C@@H](C(=O)N[C@H](Cc1ccccc1)C(F)(F)F)[NH+](C)C ZINC000157664198 276021532 /nfs/dbraw/zinc/02/15/32/276021532.db2.gz UMEDGPZCDKHFFE-UONOGXRCSA-N 1 0 316.367 3.007 10 0 DGAERO CCC[C@H](C(=O)N[C@H](Cc1ccccc1)C(F)(F)F)[NH+](C)C ZINC000157664328 276039024 /nfs/dbraw/zinc/03/90/24/276039024.db2.gz UMEDGPZCDKHFFE-ZIAGYGMSSA-N 1 0 316.367 3.007 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3cc(F)ccc31)CC2 ZINC000180651921 276066842 /nfs/dbraw/zinc/06/68/42/276066842.db2.gz VSUPLPSJHTZVOX-GDBMZVCRSA-N 1 0 314.408 3.133 10 0 DGAERO CC[N@H+](CCNC(=O)N1CCC[C@]2(CC=CCC2)C1)C1CC1 ZINC000114526901 276126148 /nfs/dbraw/zinc/12/61/48/276126148.db2.gz SRPPSOQGQLHSEN-GOSISDBHSA-N 1 0 305.466 3.003 10 0 DGAERO CC1(C)C[N@H+](CCO[C@@H]2CCCCO2)CC[C@@H]1C(F)(F)F ZINC000193130329 276132161 /nfs/dbraw/zinc/13/21/61/276132161.db2.gz HMXUBTOBZONHKL-QWHCGFSZSA-N 1 0 309.372 3.440 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000136659692 276168580 /nfs/dbraw/zinc/16/85/80/276168580.db2.gz ZVEXKBDCHYEGOP-UKRRQHHQSA-N 1 0 321.490 3.251 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cccc2F)[C@@H](C)C1 ZINC000245875494 276213156 /nfs/dbraw/zinc/21/31/56/276213156.db2.gz ANAGTXAVUCEQAC-DZGCQCFKSA-N 1 0 307.413 3.328 10 0 DGAERO c1ncn2c1c(NC1CC[NH+](C3CCC3)CC1)nc1ccccc12 ZINC000624260531 429932841 /nfs/dbraw/zinc/93/28/41/429932841.db2.gz QOXRJQRQFRMCLU-UHFFFAOYSA-N 1 0 321.428 3.311 10 0 DGAERO CN1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000247087763 277081887 /nfs/dbraw/zinc/08/18/87/277081887.db2.gz PEQYEGQJNYUEPK-WFASDCNBSA-N 1 0 314.351 3.256 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1 ZINC000185500313 277112694 /nfs/dbraw/zinc/11/26/94/277112694.db2.gz ALEZMZXSCKJQRB-CQSZACIVSA-N 1 0 317.433 3.275 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1c1ccccc1 ZINC000248059497 277137276 /nfs/dbraw/zinc/13/72/76/277137276.db2.gz OVOZNQCHLRYNOO-IEBWSBKVSA-N 1 0 319.408 3.343 10 0 DGAERO C[N@@H+]1CC[C@@H]2CCN(Cc3cc4ccccc4nc3Cl)[C@@H]2C1 ZINC000181757544 277145853 /nfs/dbraw/zinc/14/58/53/277145853.db2.gz CVJLSYOXMDGYOA-CXAGYDPISA-N 1 0 315.848 3.414 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccsc2)[C@@H]1c1ccccc1 ZINC000189721442 277168038 /nfs/dbraw/zinc/16/80/38/277168038.db2.gz INIAVSOLHHHGRU-GJZGRUSLSA-N 1 0 301.415 3.315 10 0 DGAERO COC1CCC([NH2+]CCN2CCc3c(Cl)cccc3C2)CC1 ZINC000187997258 277193469 /nfs/dbraw/zinc/19/34/69/277193469.db2.gz MLDFKOIKSQUDCG-UHFFFAOYSA-N 1 0 322.880 3.245 10 0 DGAERO C[NH2+][C@@H](C)CNC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000261794302 277292541 /nfs/dbraw/zinc/29/25/41/277292541.db2.gz RDJYRIDIRRTEIH-INIZCTEOSA-N 1 0 302.462 3.294 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)C2CCCC2)C1 ZINC000178897308 277391436 /nfs/dbraw/zinc/39/14/36/277391436.db2.gz SQHWHDDWWCCYLM-HOTGVXAUSA-N 1 0 309.498 3.232 10 0 DGAERO COc1cccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000185508490 277456374 /nfs/dbraw/zinc/45/63/74/277456374.db2.gz UZGWLNGRAKJDAQ-CQSZACIVSA-N 1 0 305.422 3.081 10 0 DGAERO COC1([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)CCOCC1 ZINC000453207194 277474661 /nfs/dbraw/zinc/47/46/61/277474661.db2.gz ZIAXDXOUFLOOJA-RYQLBKOJSA-N 1 0 319.445 3.080 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@H]2COc3ccccc3C2)ccc1F ZINC000153343242 277839334 /nfs/dbraw/zinc/83/93/34/277839334.db2.gz UQEWMLDMUGSWFY-SWLSCSKDSA-N 1 0 301.361 3.489 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]CCn1cc(C)cn1)CCCS2 ZINC000188165254 277988878 /nfs/dbraw/zinc/98/88/78/277988878.db2.gz SDABFMCNIPLEOI-MRXNPFEDSA-N 1 0 317.458 3.417 10 0 DGAERO CC(=O)N1CC[N@@H+](C[C@H](CC(C)C)c2ccccc2)[C@@H](C)C1 ZINC000474281827 278041885 /nfs/dbraw/zinc/04/18/85/278041885.db2.gz FFWODEJMIFVFCE-LPHOPBHVSA-N 1 0 302.462 3.369 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@H](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449017106 278190980 /nfs/dbraw/zinc/19/09/80/278190980.db2.gz GYBSYEDYIDUNDW-LSDHHAIUSA-N 1 0 309.475 3.316 10 0 DGAERO CC1(C)CC[C@H](C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)O1 ZINC000186507580 278275987 /nfs/dbraw/zinc/27/59/87/278275987.db2.gz BEQRMDXUQXOHOD-QGZVFWFLSA-N 1 0 322.493 3.059 10 0 DGAERO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172806658 278309456 /nfs/dbraw/zinc/30/94/56/278309456.db2.gz AIMZDTNNOHIVCI-UZLBHIALSA-N 1 0 310.441 3.307 10 0 DGAERO C[C@H]1CCN(C(=O)c2cc3c(s2)CCCCC3)[C@H](C[NH3+])C1 ZINC000235705873 278362279 /nfs/dbraw/zinc/36/22/79/278362279.db2.gz XPMHDHAIJRTZFO-JSGCOSHPSA-N 1 0 306.475 3.216 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Cl)sc1Cl ZINC000180586666 278387992 /nfs/dbraw/zinc/38/79/92/278387992.db2.gz LKEWRFKHXLBQPM-SFYZADRCSA-N 1 0 317.245 3.312 10 0 DGAERO C[C@H]1C[C@@H](C(=O)NCCC23CC4CC(CC(C4)C2)C3)CC[NH2+]1 ZINC000262413738 278472851 /nfs/dbraw/zinc/47/28/51/278472851.db2.gz POJIUVDTCHQZRC-MCMJNGCASA-N 1 0 304.478 3.097 10 0 DGAERO CC(C)(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000261878542 278490055 /nfs/dbraw/zinc/49/00/55/278490055.db2.gz YTKLFSAKXNMSMY-BMFZPTHFSA-N 1 0 306.425 3.404 10 0 DGAERO C[C@@H]1CCN(C(=O)CSc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000261921529 278531123 /nfs/dbraw/zinc/53/11/23/278531123.db2.gz YVXGUJMQMVGGRB-VXGBXAGGSA-N 1 0 312.866 3.018 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(OC)ccc1Cl ZINC000068313488 431122073 /nfs/dbraw/zinc/12/20/73/431122073.db2.gz RGGKIGPNGOUBAC-NSHDSACASA-N 1 0 313.829 3.200 10 0 DGAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248803891 279074627 /nfs/dbraw/zinc/07/46/27/279074627.db2.gz QWDHDCJGGDZYLW-VXGBXAGGSA-N 1 0 308.388 3.154 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1SCCc2ccccc21 ZINC000173833467 279131070 /nfs/dbraw/zinc/13/10/70/279131070.db2.gz XGICXXXPCMPSLC-NVXWUHKLSA-N 1 0 320.502 3.110 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068481375 431133310 /nfs/dbraw/zinc/13/33/10/431133310.db2.gz HPJVKQGRQABGAB-CVEARBPZSA-N 1 0 321.461 3.049 10 0 DGAERO Clc1ccccc1[C@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000162937348 279296201 /nfs/dbraw/zinc/29/62/01/279296201.db2.gz ALUHYLNFLSAZAD-QGZVFWFLSA-N 1 0 308.853 3.199 10 0 DGAERO COc1cc(CN2CCC[N@@H+](C3CC3)CC2)ccc1SC ZINC000069221580 431170968 /nfs/dbraw/zinc/17/09/68/431170968.db2.gz MEPVMFUAOKHCJC-UHFFFAOYSA-N 1 0 306.475 3.087 10 0 DGAERO NC(=O)[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000069057641 431157026 /nfs/dbraw/zinc/15/70/26/431157026.db2.gz VQFGRMYCRLJDGF-OAHLLOKOSA-N 1 0 323.223 3.352 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000108807077 431157729 /nfs/dbraw/zinc/15/77/29/431157729.db2.gz OUJLHMPGEUTLHU-QRVBRYPASA-N 1 0 308.425 3.106 10 0 DGAERO Cc1ccc(O)c(C2=C[C@@H](c3ccccc3)N3NC=NC3=[NH+]2)c1 ZINC000000278040 431160008 /nfs/dbraw/zinc/16/00/08/431160008.db2.gz PAEOXAJQUNWGCD-INIZCTEOSA-N 1 0 304.353 3.001 10 0 DGAERO Cc1ccc(-c2cc(C[NH+]3CCC([C@H](C)O)CC3)on2)cc1 ZINC000111288300 431208145 /nfs/dbraw/zinc/20/81/45/431208145.db2.gz NSDOSXGHEIQDNI-AWEZNQCLSA-N 1 0 300.402 3.243 10 0 DGAERO C[NH+](C)CCc1nc2ccccc2c(Nc2cccc(O)c2)n1 ZINC000001316758 431220691 /nfs/dbraw/zinc/22/06/91/431220691.db2.gz KOLLCALJNCRJNR-UHFFFAOYSA-N 1 0 308.385 3.183 10 0 DGAERO CC[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111506589 431224412 /nfs/dbraw/zinc/22/44/12/431224412.db2.gz VKMDEUVLHDJKQL-CCNLRDMRSA-N 1 0 315.461 3.280 10 0 DGAERO CCCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111507741 431225504 /nfs/dbraw/zinc/22/55/04/431225504.db2.gz JOKYSEARZTXWQZ-AYHJJNSGSA-N 1 0 315.461 3.233 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)C1CCCC1 ZINC000070306777 431250018 /nfs/dbraw/zinc/25/00/18/431250018.db2.gz GMTPRJXHDOJMHR-BBRMVZONSA-N 1 0 311.853 3.386 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000070557363 431251477 /nfs/dbraw/zinc/25/14/77/431251477.db2.gz OHUASINLDJUPTF-ZYHUDNBSSA-N 1 0 322.206 3.484 10 0 DGAERO Cc1ccccc1[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000112214426 431256176 /nfs/dbraw/zinc/25/61/76/431256176.db2.gz WAGDETZHORWLOD-RDJZCZTQSA-N 1 0 303.450 3.086 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C)cc(Br)c1O ZINC000071205773 431277052 /nfs/dbraw/zinc/27/70/52/431277052.db2.gz JYNHLCNXQHOJTG-JOYOIKCWSA-N 1 0 314.223 3.442 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3ccccc31)CC2 ZINC000112551624 431282374 /nfs/dbraw/zinc/28/23/74/431282374.db2.gz NCGJZHSNCHUOOV-WBVHZDCISA-N 1 0 310.445 3.384 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc2ccccc2c1 ZINC000113225324 431335039 /nfs/dbraw/zinc/33/50/39/431335039.db2.gz MVZCIPIVFGJTDS-HNAYVOBHSA-N 1 0 308.425 3.077 10 0 DGAERO CC(C)Sc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113231370 431335356 /nfs/dbraw/zinc/33/53/56/431335356.db2.gz ZRRSXQBPCZITGP-GOEBONIOSA-N 1 0 318.486 3.496 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(C(F)(F)F)cc1Cl ZINC000113248477 431335672 /nfs/dbraw/zinc/33/56/72/431335672.db2.gz RXTSQTFQAWHWPO-GXSJLCMTSA-N 1 0 319.758 3.427 10 0 DGAERO Cc1nnc(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)n1C1CC1 ZINC000113263875 431339960 /nfs/dbraw/zinc/33/99/60/431339960.db2.gz XGQWEGRLNBELRE-SFHVURJKSA-N 1 0 310.445 3.437 10 0 DGAERO C[NH+](C)C1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000113500027 431348570 /nfs/dbraw/zinc/34/85/70/431348570.db2.gz YUSPJPCSYXJGED-UHFFFAOYSA-N 1 0 311.429 3.400 10 0 DGAERO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000007586875 431353403 /nfs/dbraw/zinc/35/34/03/431353403.db2.gz SHECTYCPLZUZDP-HIFRSBDPSA-N 1 0 316.401 3.008 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000007817245 431365715 /nfs/dbraw/zinc/36/57/15/431365715.db2.gz ZMSNTEXXHBCPPX-INIZCTEOSA-N 1 0 308.381 3.466 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@H](C[NH3+])c2cccc(Cl)c2)cc1 ZINC000008031337 431377647 /nfs/dbraw/zinc/37/76/47/431377647.db2.gz KXEAGMCGLCVORJ-OAHLLOKOSA-N 1 0 309.818 3.122 10 0 DGAERO C[C@H]1CC[C@H](C)N(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176031372 279753120 /nfs/dbraw/zinc/75/31/20/279753120.db2.gz IKLQULJREMILOS-GJZGRUSLSA-N 1 0 307.482 3.223 10 0 DGAERO CN(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000073903031 431388762 /nfs/dbraw/zinc/38/87/62/431388762.db2.gz QOZGJJVQTWCWQK-SFHVURJKSA-N 1 0 315.461 3.235 10 0 DGAERO COc1ccc(OCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114483944 431389193 /nfs/dbraw/zinc/38/91/93/431389193.db2.gz KOTAHXZGHRVUJB-KRWDZBQOSA-N 1 0 301.390 3.024 10 0 DGAERO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114493696 431393819 /nfs/dbraw/zinc/39/38/19/431393819.db2.gz VMKJZGBHEBXUIG-WMZOPIPTSA-N 1 0 302.393 3.174 10 0 DGAERO O[C@@H](C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000114484205 431394184 /nfs/dbraw/zinc/39/41/84/431394184.db2.gz DBLUJYVIXKMWJA-CVEARBPZSA-N 1 0 305.809 3.324 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114521276 431395861 /nfs/dbraw/zinc/39/58/61/431395861.db2.gz BYKMSIOCPVJJDF-IBGZPJMESA-N 1 0 319.493 3.394 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NCc1ccccc1F ZINC000114745575 431410697 /nfs/dbraw/zinc/41/06/97/431410697.db2.gz PUQBOCJEWHCSHH-LSDHHAIUSA-N 1 0 314.404 3.490 10 0 DGAERO CCOc1c(F)cccc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000074330230 431412375 /nfs/dbraw/zinc/41/23/75/431412375.db2.gz QDIQJNGPVPHEGL-UHFFFAOYSA-N 1 0 324.440 3.463 10 0 DGAERO CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074832421 431442554 /nfs/dbraw/zinc/44/25/54/431442554.db2.gz XVUTXXNVTQAXKI-FUHWJXTLSA-N 1 0 317.477 3.337 10 0 DGAERO Cc1ccc(C)c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000115416208 431452347 /nfs/dbraw/zinc/45/23/47/431452347.db2.gz VKNWWMMJZXDSAE-UHFFFAOYSA-N 1 0 314.404 3.434 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)c2ccc(Cl)o2)ccc1F ZINC000115418128 431454811 /nfs/dbraw/zinc/45/48/11/431454811.db2.gz ILWVPXMTIPJRHT-UHFFFAOYSA-N 1 0 310.756 3.064 10 0 DGAERO C[C@H]1CCC[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000115694207 431470241 /nfs/dbraw/zinc/47/02/41/431470241.db2.gz FDZVSPIHFAUQAU-BBRMVZONSA-N 1 0 321.440 3.265 10 0 DGAERO C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000115784547 431473341 /nfs/dbraw/zinc/47/33/41/431473341.db2.gz DLKUKCUJIXJSHO-KGLIPLIRSA-N 1 0 323.868 3.384 10 0 DGAERO Cc1cccc(N2CCC(NC(=O)C[C@@H](C)C(C)C)CC2)n1 ZINC000116667825 431519858 /nfs/dbraw/zinc/51/98/58/431519858.db2.gz DFLGPELOMVINGF-CQSZACIVSA-N 1 0 303.450 3.157 10 0 DGAERO CCC[C@H](C)CC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116666761 431520070 /nfs/dbraw/zinc/52/00/70/431520070.db2.gz NMWPSRROJLQJLR-AWEZNQCLSA-N 1 0 303.450 3.301 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F)c1ccccc1 ZINC000076076007 431525307 /nfs/dbraw/zinc/52/53/07/431525307.db2.gz WGFOSWOCYJSOMB-LSDHHAIUSA-N 1 0 317.351 3.153 10 0 DGAERO C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc(F)c1 ZINC000116201903 431493901 /nfs/dbraw/zinc/49/39/01/431493901.db2.gz WZXSLKRTVPVBQN-JKIFEVAISA-N 1 0 304.409 3.014 10 0 DGAERO CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116251135 431496827 /nfs/dbraw/zinc/49/68/27/431496827.db2.gz ORIYLQJLFOXSJB-WMZOPIPTSA-N 1 0 317.477 3.379 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3coc(-c4ccccc4)n3)C2)cn1 ZINC000116312583 431504150 /nfs/dbraw/zinc/50/41/50/431504150.db2.gz YPPRGKPRANGJOP-HNNXBMFYSA-N 1 0 308.385 3.065 10 0 DGAERO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116323478 431505241 /nfs/dbraw/zinc/50/52/41/431505241.db2.gz BCZNBTZSBSPJSY-HIFRSBDPSA-N 1 0 323.400 3.021 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116431819 431513251 /nfs/dbraw/zinc/51/32/51/431513251.db2.gz NREBNEKLXBIUEE-LSDHHAIUSA-N 1 0 305.422 3.001 10 0 DGAERO Nc1nc(N)c(-c2ccccc2)c(CCCc2ccccc2)[nH+]1 ZINC000013472726 431558148 /nfs/dbraw/zinc/55/81/48/431558148.db2.gz WOPXWVPFQVTEFR-UHFFFAOYSA-N 1 0 304.397 3.483 10 0 DGAERO CN(C(=O)c1ccc2cc(C(N)=[NH2+])ccc2c1)c1ccccc1 ZINC000013532756 431558626 /nfs/dbraw/zinc/55/86/26/431558626.db2.gz XULKFTXMBWNOFW-UHFFFAOYSA-N 1 0 303.365 3.400 10 0 DGAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3cccc(C(N)=O)c3)C2)cc1 ZINC000076393937 431545048 /nfs/dbraw/zinc/54/50/48/431545048.db2.gz PHMGETDWELQVEM-KDOFPFPSSA-N 1 0 324.424 3.172 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCc2ccccc2)[C@H](C)C1 ZINC000076482424 431552114 /nfs/dbraw/zinc/55/21/14/431552114.db2.gz RAIZDBNTGIPXHI-AEFFLSMTSA-N 1 0 302.462 3.198 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(C(C)C)n2)[C@H](C)C1 ZINC000076491309 431553503 /nfs/dbraw/zinc/55/35/03/431553503.db2.gz ACQQXNJDINSIDO-TZMCWYRMSA-N 1 0 309.479 3.069 10 0 DGAERO CC[N@H+](CCc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000076512393 431555250 /nfs/dbraw/zinc/55/52/50/431555250.db2.gz ZIJJFLFHNRALEP-HXUWFJFHSA-N 1 0 313.441 3.129 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000249356135 280033515 /nfs/dbraw/zinc/03/35/15/280033515.db2.gz RCKSJTLXXAJVPA-OKZBNKHCSA-N 1 0 306.494 3.393 10 0 DGAERO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cn(C)nc1C(C)(C)C ZINC000475277948 280109166 /nfs/dbraw/zinc/10/91/66/280109166.db2.gz ZTAOSAPPPLZQGM-CMPLNLGQSA-N 1 0 303.372 3.490 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCCO2)cc1)C(C)C ZINC000076968450 431564392 /nfs/dbraw/zinc/56/43/92/431564392.db2.gz PXONIPVPRFKHNM-GOSISDBHSA-N 1 0 318.461 3.168 10 0 DGAERO CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(Cl)c1 ZINC000249839853 280180723 /nfs/dbraw/zinc/18/07/23/280180723.db2.gz FVNPTNBVPQOYQN-MAZHCROVSA-N 1 0 308.853 3.194 10 0 DGAERO O=C(c1ccc(C(F)(F)F)cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186551514 280181501 /nfs/dbraw/zinc/18/15/01/280181501.db2.gz YBMFHSJBPUIMDP-ZDUSSCGKSA-N 1 0 312.335 3.062 10 0 DGAERO Cc1c(F)cccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000072599232 280238422 /nfs/dbraw/zinc/23/84/22/280238422.db2.gz CLCKMTRGDUVVHG-AWEZNQCLSA-N 1 0 305.397 3.226 10 0 DGAERO Cc1ccc([C@H](CNC(=O)N2CCCC2(C)C)[NH+](C)C)cc1 ZINC000077521286 431604966 /nfs/dbraw/zinc/60/49/66/431604966.db2.gz NLOPHQTVEQSYPK-INIZCTEOSA-N 1 0 303.450 3.182 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)N1CCCC1(C)C)c1ccc(F)cc1 ZINC000077518258 431603932 /nfs/dbraw/zinc/60/39/32/431603932.db2.gz LCMBFQJENMJORX-HNNXBMFYSA-N 1 0 307.413 3.012 10 0 DGAERO O[C@H](COc1ccccc1)C[N@H+]1CC=C(c2cccs2)CC1 ZINC000117896695 431582580 /nfs/dbraw/zinc/58/25/80/431582580.db2.gz DZAWYZOQRFHSRG-INIZCTEOSA-N 1 0 315.438 3.277 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000117876797 431583060 /nfs/dbraw/zinc/58/30/60/431583060.db2.gz NMMOMWRRJMJACB-OAHLLOKOSA-N 1 0 316.474 3.270 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C)c2Cl)[C@H](C)C1 ZINC000119130588 431650898 /nfs/dbraw/zinc/65/08/98/431650898.db2.gz BCKCKFDSFDNSPY-HIFRSBDPSA-N 1 0 308.853 3.451 10 0 DGAERO Cc1ccc(C(=O)CCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000077730531 431620512 /nfs/dbraw/zinc/62/05/12/431620512.db2.gz AOFXWHXFYQJEHU-KRWDZBQOSA-N 1 0 318.461 3.050 10 0 DGAERO Cc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(C)n1C(C)C ZINC000077730040 431621252 /nfs/dbraw/zinc/62/12/52/431621252.db2.gz KLLBAVBDUIWCJJ-MRXNPFEDSA-N 1 0 307.482 3.392 10 0 DGAERO CC1=[NH+]CCNC2=C1[C@H](c1ccccc1)N(c1ccccc1)C2=O ZINC000020314970 431622287 /nfs/dbraw/zinc/62/22/87/431622287.db2.gz XLBWYQGOZVJVLI-IBGZPJMESA-N 1 0 317.392 3.093 10 0 DGAERO c1cnnc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H](C4CC4)C3)C2)c1 ZINC000089732773 280503355 /nfs/dbraw/zinc/50/33/55/280503355.db2.gz ZJUBGLMHMLCTDH-BBWFWOEESA-N 1 0 300.450 3.004 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)NC1CC1 ZINC000078518394 431677349 /nfs/dbraw/zinc/67/73/49/431677349.db2.gz IHRVIPRUJJQCAD-DTWKUNHWSA-N 1 0 301.217 3.311 10 0 DGAERO Cc1cc2cc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)oc2cc1C ZINC000119518583 431702127 /nfs/dbraw/zinc/70/21/27/431702127.db2.gz VCAIGCKGJLVVHX-MRXNPFEDSA-N 1 0 310.401 3.478 10 0 DGAERO CC[N@H+](CCOc1c(Cl)cccc1Cl)CC(C)(C)O ZINC000078747292 431704709 /nfs/dbraw/zinc/70/47/09/431704709.db2.gz VYWNQSAMZRPOBD-UHFFFAOYSA-N 1 0 306.233 3.465 10 0 DGAERO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC000029571538 431724562 /nfs/dbraw/zinc/72/45/62/431724562.db2.gz VJCIWDNWVJZHOX-UHFFFAOYSA-N 1 0 307.393 3.434 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cc(=O)n2cccc(C)c2n1 ZINC000120461790 431728564 /nfs/dbraw/zinc/72/85/64/431728564.db2.gz DXJDKSNCPUFWET-HNNXBMFYSA-N 1 0 307.397 3.162 10 0 DGAERO Cc1cc(C)n(C[C@H]2C[N@H+](CCCC3CCCC3)CCO2)n1 ZINC000120592497 431729757 /nfs/dbraw/zinc/72/97/57/431729757.db2.gz JWTHDSKPYNTUOP-GOSISDBHSA-N 1 0 305.466 3.171 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000120473812 431731974 /nfs/dbraw/zinc/73/19/74/431731974.db2.gz NZWLXVWNJMNTSW-BBATYDOGSA-N 1 0 301.409 3.384 10 0 DGAERO Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)NC(C)(C)C ZINC000121124865 431747192 /nfs/dbraw/zinc/74/71/92/431747192.db2.gz PTVHHAUZBUEZFL-GFCCVEGCSA-N 1 0 311.495 3.482 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000121211913 431753613 /nfs/dbraw/zinc/75/36/13/431753613.db2.gz FDPCYCFUFNWJRD-RRFJBIMHSA-N 1 0 323.506 3.091 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000079253538 431718919 /nfs/dbraw/zinc/71/89/19/431718919.db2.gz TVTWYHAKLPSNFD-GJZGRUSLSA-N 1 0 321.465 3.128 10 0 DGAERO Cc1cnccc1NC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000121489201 431793091 /nfs/dbraw/zinc/79/30/91/431793091.db2.gz RRAMIHWMABBZOA-CQSZACIVSA-N 1 0 303.387 3.057 10 0 DGAERO Cc1ccc(OCC[N@@H+](C)Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000121503351 431796676 /nfs/dbraw/zinc/79/66/76/431796676.db2.gz KHKLNOUXGLRZRV-UHFFFAOYSA-N 1 0 324.428 3.165 10 0 DGAERO COc1ccccc1/C=C/C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000122112011 431812853 /nfs/dbraw/zinc/81/28/53/431812853.db2.gz QWCANLKBJZWOQU-YRNVUSSQSA-N 1 0 324.424 3.086 10 0 DGAERO COCC1CC[NH+](Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000084075884 431814146 /nfs/dbraw/zinc/81/41/46/431814146.db2.gz MMSXDJPQJPHPPS-UHFFFAOYSA-N 1 0 322.474 3.319 10 0 DGAERO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCC2(C)C)CC1 ZINC000080218711 431765730 /nfs/dbraw/zinc/76/57/30/431765730.db2.gz YHMFAYSAINYFIJ-UHFFFAOYSA-N 1 0 309.498 3.329 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](C[C@H](O)C(F)(F)F)C2)n1 ZINC000121373238 431778074 /nfs/dbraw/zinc/77/80/74/431778074.db2.gz IUWOQFHEHAQGNV-PWSUYJOCSA-N 1 0 322.396 3.369 10 0 DGAERO Clc1ccc([C@@H]([NH2+]CCCN2CCOCC2)C2CC2)cc1 ZINC000037232318 431844997 /nfs/dbraw/zinc/84/49/97/431844997.db2.gz DPEDKDLSVBXHEG-KRWDZBQOSA-N 1 0 308.853 3.103 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccccc2OC(F)(F)F)CC1 ZINC000037623008 431848759 /nfs/dbraw/zinc/84/87/59/431848759.db2.gz GXGGADXGOZBXBT-UHFFFAOYSA-N 1 0 302.296 3.041 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cnc3c(C)cccn23)C1 ZINC000122910472 431849064 /nfs/dbraw/zinc/84/90/64/431849064.db2.gz OVMOUESWOYHMSQ-MRXNPFEDSA-N 1 0 323.444 3.239 10 0 DGAERO CC[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1[NH3+] ZINC000122936064 431849228 /nfs/dbraw/zinc/84/92/28/431849228.db2.gz HTRFRLOCTKUCRX-KCJUWKMLSA-N 1 0 307.747 3.317 10 0 DGAERO C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000122945111 431849542 /nfs/dbraw/zinc/84/95/42/431849542.db2.gz BCQJGBZJAZXHFS-CPUCHLNUSA-N 1 0 306.425 3.260 10 0 DGAERO C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000122945350 431849770 /nfs/dbraw/zinc/84/97/70/431849770.db2.gz BCQJGBZJAZXHFS-KEYYUXOJSA-N 1 0 306.425 3.260 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1F ZINC000087134292 431850718 /nfs/dbraw/zinc/85/07/18/431850718.db2.gz RGPBPYQSXPBYHA-DZGCQCFKSA-N 1 0 321.440 3.226 10 0 DGAERO Brc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916188 431851361 /nfs/dbraw/zinc/85/13/61/431851361.db2.gz YOTKABGRFFDVLT-HOCLYGCPSA-N 1 0 323.278 3.413 10 0 DGAERO Fc1cc(Br)ccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988746 431852232 /nfs/dbraw/zinc/85/22/32/431852232.db2.gz AFRRJROOKYWUPY-LBPRGKRZSA-N 1 0 302.187 3.247 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2csc(-c3ccco3)n2)CC[N@@H+]1C ZINC000123075364 431854596 /nfs/dbraw/zinc/85/45/96/431854596.db2.gz AAQCUXJMOBEQIY-OCCSQVGLSA-N 1 0 305.447 3.318 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)cc1OC ZINC000123115114 431855921 /nfs/dbraw/zinc/85/59/21/431855921.db2.gz VKCLXRYPQLZMNT-ZBFHGGJFSA-N 1 0 308.466 3.331 10 0 DGAERO CC[NH2+]Cc1cccc(NC(=O)c2coc(Br)c2)c1 ZINC000123243615 431858802 /nfs/dbraw/zinc/85/88/02/431858802.db2.gz WEKXHAWDGAYTJV-UHFFFAOYSA-N 1 0 323.190 3.404 10 0 DGAERO COC(=O)c1oc([C@@H](C)[N@H+](C)CCc2ncc(C)s2)cc1C ZINC000089266615 431862517 /nfs/dbraw/zinc/86/25/17/431862517.db2.gz XEQYADJRGGMXCV-GFCCVEGCSA-N 1 0 322.430 3.375 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1C(F)(F)F ZINC000123391612 431864199 /nfs/dbraw/zinc/86/41/99/431864199.db2.gz KZZNBKIUEVVONA-QWHCGFSZSA-N 1 0 316.367 3.077 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000089444947 431866441 /nfs/dbraw/zinc/86/64/41/431866441.db2.gz GLIMOSWGRMELRZ-AWEZNQCLSA-N 1 0 317.433 3.194 10 0 DGAERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cccnc1Cl ZINC000089641093 431873901 /nfs/dbraw/zinc/87/39/01/431873901.db2.gz NPVVZMAGNONIOA-LLVKDONJSA-N 1 0 323.849 3.267 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)n1 ZINC000089518410 431868900 /nfs/dbraw/zinc/86/89/00/431868900.db2.gz HHEFCNGTTATRGY-ZDUSSCGKSA-N 1 0 308.385 3.333 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000089518832 431869081 /nfs/dbraw/zinc/86/90/81/431869081.db2.gz HNERJYVOVIIWCS-SFHVURJKSA-N 1 0 307.397 3.494 10 0 DGAERO COc1ccc([C@H]2NC=[NH+][C@H]2c2ccc(OC)cc2F)c(F)c1 ZINC000034598195 431819905 /nfs/dbraw/zinc/81/99/05/431819905.db2.gz FWAUFXNIRMRXSP-CALCHBBNSA-N 1 0 318.323 3.396 10 0 DGAERO CCC[C@@H](C(=O)Nc1cccc(CC(F)(F)F)c1)[NH+](C)C ZINC000122430702 431833124 /nfs/dbraw/zinc/83/31/24/431833124.db2.gz CEWHYZHZHIRYGV-ZDUSSCGKSA-N 1 0 302.340 3.460 10 0 DGAERO CCC[N@@H+](Cc1cccs1)C[C@H](O)COCc1ccco1 ZINC000036031084 431833590 /nfs/dbraw/zinc/83/35/90/431833590.db2.gz VAXROLDJIXZBRD-AWEZNQCLSA-N 1 0 309.431 3.131 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000085385783 431839464 /nfs/dbraw/zinc/83/94/64/431839464.db2.gz YXIZSSSZUKWQSI-ZOBUZTSGSA-N 1 0 303.450 3.038 10 0 DGAERO CCc1cc(N2CCC[C@@H](Cn3cncn3)C2)c2ccccc2[nH+]1 ZINC000124938794 431909007 /nfs/dbraw/zinc/90/90/07/431909007.db2.gz MLKBDFGQEFATSL-OAHLLOKOSA-N 1 0 321.428 3.305 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccn2CCC(C)C)C1 ZINC000092708751 431910961 /nfs/dbraw/zinc/91/09/61/431910961.db2.gz JJIQMDNROQPFJI-KRWDZBQOSA-N 1 0 319.493 3.415 10 0 DGAERO C1=CC[C@H](C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)CC1 ZINC000092811865 431911841 /nfs/dbraw/zinc/91/18/41/431911841.db2.gz XEXQASUNAZPESX-HOTGVXAUSA-N 1 0 300.450 3.498 10 0 DGAERO CC(C)[C@H](C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000047684835 431914760 /nfs/dbraw/zinc/91/47/60/431914760.db2.gz OIPJTZRKQYRXCX-DOTOQJQBSA-N 1 0 303.450 3.167 10 0 DGAERO C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000047885398 431916613 /nfs/dbraw/zinc/91/66/13/431916613.db2.gz VHRIVSWTCJQDAC-CQSZACIVSA-N 1 0 311.429 3.294 10 0 DGAERO O=C(OCc1ccccc1)N1CCC[C@H](CC[NH2+]C2CC2)C1 ZINC000095077822 431921680 /nfs/dbraw/zinc/92/16/80/431921680.db2.gz YEEKLYWQMYTUSH-OAHLLOKOSA-N 1 0 302.418 3.177 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088733 431921716 /nfs/dbraw/zinc/92/17/16/431921716.db2.gz CRMNSYOBQUIXOA-KGLIPLIRSA-N 1 0 307.438 3.407 10 0 DGAERO Brc1ccc(COCCC[C@H]2CCC[NH2+]C2)cn1 ZINC000095092447 431921955 /nfs/dbraw/zinc/92/19/55/431921955.db2.gz CFEFQVNWEKKYID-GFCCVEGCSA-N 1 0 313.239 3.141 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](C)CCOc1c(Cl)cccc1Cl ZINC000048335469 431923532 /nfs/dbraw/zinc/92/35/32/431923532.db2.gz IOZZEXUMQDKMOO-SNVBAGLBSA-N 1 0 320.216 3.113 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc2c(c1)CCC2 ZINC000089732313 431875914 /nfs/dbraw/zinc/87/59/14/431875914.db2.gz IKDJQRWHVBCTPZ-DNVCBOLYSA-N 1 0 322.456 3.285 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000089732828 431876074 /nfs/dbraw/zinc/87/60/74/431876074.db2.gz OWMRHTIZPQNJAP-FUHWJXTLSA-N 1 0 310.445 3.413 10 0 DGAERO C[C@H]1CCC[N@H+](CCCCNC(=O)c2scnc2C2CC2)C1 ZINC000089749461 431876884 /nfs/dbraw/zinc/87/68/84/431876884.db2.gz QZOHIIHEBOBKLX-ZDUSSCGKSA-N 1 0 321.490 3.262 10 0 DGAERO Cc1ccc(C)c(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123958922 431879194 /nfs/dbraw/zinc/87/91/94/431879194.db2.gz WESREYQKRIBDOH-IAGOWNOFSA-N 1 0 318.461 3.013 10 0 DGAERO Cc1cc(F)ccc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000123991008 431880685 /nfs/dbraw/zinc/88/06/85/431880685.db2.gz LNJYFKLCDHSJJK-INIZCTEOSA-N 1 0 304.409 3.225 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000124031852 431880932 /nfs/dbraw/zinc/88/09/32/431880932.db2.gz IPYDESIDEMYPPH-SFHVURJKSA-N 1 0 301.434 3.354 10 0 DGAERO CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(OC)cc1 ZINC000124198492 431886095 /nfs/dbraw/zinc/88/60/95/431886095.db2.gz SDPQYEOMXHDLKV-GOSISDBHSA-N 1 0 301.434 3.329 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000089934971 431886471 /nfs/dbraw/zinc/88/64/71/431886471.db2.gz XHFHSLJHRZYNMS-JKSUJKDBSA-N 1 0 309.837 3.487 10 0 DGAERO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)c1nccs1 ZINC000124286258 431889078 /nfs/dbraw/zinc/88/90/78/431889078.db2.gz QPNCAUIJCCBPHW-KGLIPLIRSA-N 1 0 324.494 3.014 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000090186932 431889893 /nfs/dbraw/zinc/88/98/93/431889893.db2.gz VYHQDYSVUQSBPQ-QMTHXVAHSA-N 1 0 316.214 3.229 10 0 DGAERO COc1cccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1F ZINC000090371878 431891317 /nfs/dbraw/zinc/89/13/17/431891317.db2.gz HDIPDIKOPFKOLQ-ACJLOTCBSA-N 1 0 322.424 3.075 10 0 DGAERO COc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1F ZINC000090396212 431891402 /nfs/dbraw/zinc/89/14/02/431891402.db2.gz FKDNQTASAZDULK-ZDUSSCGKSA-N 1 0 322.424 3.075 10 0 DGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000090251214 431891655 /nfs/dbraw/zinc/89/16/55/431891655.db2.gz IJARNAGTGLBHGA-OLZOCXBDSA-N 1 0 318.642 3.496 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CCc3n[nH]cc3C1)CCCO2 ZINC000090454349 431891821 /nfs/dbraw/zinc/89/18/21/431891821.db2.gz MWPPPULYPODDNZ-YJBOKZPZSA-N 1 0 311.429 3.387 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)CC[N@@H+]1C ZINC000124518899 431896389 /nfs/dbraw/zinc/89/63/89/431896389.db2.gz BPISDGHRSCWZOQ-MCMJNGCASA-N 1 0 304.478 3.144 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000046279502 431896767 /nfs/dbraw/zinc/89/67/67/431896767.db2.gz SWZFIACUMFWCRI-CVEARBPZSA-N 1 0 305.466 3.428 10 0 DGAERO Cc1cccc(C)c1OCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124698420 431901526 /nfs/dbraw/zinc/90/15/26/431901526.db2.gz MOFWJTHKACBAOE-SJORKVTESA-N 1 0 318.461 3.013 10 0 DGAERO Cc1ccc(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000124690767 431902037 /nfs/dbraw/zinc/90/20/37/431902037.db2.gz KYTIBGQRTPLCOZ-IAGOWNOFSA-N 1 0 318.461 3.013 10 0 DGAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000091373924 431903916 /nfs/dbraw/zinc/90/39/16/431903916.db2.gz LQIWYBGPAKCSBI-ABAIWWIYSA-N 1 0 315.866 3.204 10 0 DGAERO Fc1cc(C[NH2+]C[C@@H]2CCCCO2)ccc1Br ZINC000127422093 431971693 /nfs/dbraw/zinc/97/16/93/431971693.db2.gz SGMZGSUKMZRRMQ-NSHDSACASA-N 1 0 302.187 3.247 10 0 DGAERO CCn1c(C)nnc1CN1CC=C(c2ccccc2F)CC1 ZINC000127521707 431974131 /nfs/dbraw/zinc/97/41/31/431974131.db2.gz UQRKKKWRXWULQU-UHFFFAOYSA-N 1 0 300.381 3.035 10 0 DGAERO C[C@H]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000098032532 431976098 /nfs/dbraw/zinc/97/60/98/431976098.db2.gz JUEJKZHUPVWPJW-JKSUJKDBSA-N 1 0 307.482 3.083 10 0 DGAERO CC(C)(C)c1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)s1 ZINC000127603635 431976846 /nfs/dbraw/zinc/97/68/46/431976846.db2.gz ILQHSWNRKJMDHT-UHFFFAOYSA-N 1 0 321.490 3.035 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000127732560 431979151 /nfs/dbraw/zinc/97/91/51/431979151.db2.gz JOSQQIQWQIXZJM-SNVBAGLBSA-N 1 0 321.833 3.402 10 0 DGAERO Cc1cccc(NC2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)c1 ZINC000125681293 431933518 /nfs/dbraw/zinc/93/35/18/431933518.db2.gz BDRAKKXPKSBQBU-SFHVURJKSA-N 1 0 320.477 3.047 10 0 DGAERO CCCOc1cc(F)ccc1NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000125703655 431933925 /nfs/dbraw/zinc/93/39/25/431933925.db2.gz LPMSDHNEYXHHTB-AWEZNQCLSA-N 1 0 323.412 3.220 10 0 DGAERO CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@]1(CCO)CCOC1 ZINC000125735267 431934473 /nfs/dbraw/zinc/93/44/73/431934473.db2.gz QVACDXORSQQAIH-MOPGFXCFSA-N 1 0 305.462 3.023 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000125820023 431935908 /nfs/dbraw/zinc/93/59/08/431935908.db2.gz KEAHFOZYUODFNQ-OAHLLOKOSA-N 1 0 310.397 3.031 10 0 DGAERO O=C(CCc1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073276 431936251 /nfs/dbraw/zinc/93/62/51/431936251.db2.gz LFWOPIOXVMXQKB-UHFFFAOYSA-N 1 0 318.436 3.093 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000127764164 431980274 /nfs/dbraw/zinc/98/02/74/431980274.db2.gz XJLPSSPNDKRDEW-VYDXJSESSA-N 1 0 303.450 3.119 10 0 DGAERO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccnn1C)CCCO2 ZINC000126533525 431952215 /nfs/dbraw/zinc/95/22/15/431952215.db2.gz BXSZUJMCZQOVMD-OAHLLOKOSA-N 1 0 305.809 3.385 10 0 DGAERO CCOc1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126628206 431954570 /nfs/dbraw/zinc/95/45/70/431954570.db2.gz PLQHSWDWIJLKHI-IBGZPJMESA-N 1 0 313.397 3.364 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC000105087094 280976550 /nfs/dbraw/zinc/97/65/50/280976550.db2.gz NPZKMJFPIDXAAY-GJZGRUSLSA-N 1 0 307.438 3.069 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000094955119 280979499 /nfs/dbraw/zinc/97/94/99/280979499.db2.gz AAWKPINYYSEBOP-CFVMTHIKSA-N 1 0 313.438 3.141 10 0 DGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000052761829 431958332 /nfs/dbraw/zinc/95/83/32/431958332.db2.gz NIQAZANTEOOBKA-ZDUSSCGKSA-N 1 0 316.214 3.325 10 0 DGAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccc(Br)s1 ZINC000052762151 431958625 /nfs/dbraw/zinc/95/86/25/431958625.db2.gz LCFJKFUNFPVLLG-SNVBAGLBSA-N 1 0 304.253 3.248 10 0 DGAERO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762939 431958782 /nfs/dbraw/zinc/95/87/82/431958782.db2.gz RBTRAORZOJGOGJ-CYBMUJFWSA-N 1 0 306.431 3.448 10 0 DGAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000126941440 431961382 /nfs/dbraw/zinc/96/13/82/431961382.db2.gz MOAHFWXKCJAPLU-DTWKUNHWSA-N 1 0 306.631 3.209 10 0 DGAERO COc1ccccc1/C=C/CN1CC[NH+](C2CCCC2)CC1 ZINC000126972810 431962034 /nfs/dbraw/zinc/96/20/34/431962034.db2.gz QNNIZXJJEYJAJC-SOFGYWHQSA-N 1 0 300.446 3.269 10 0 DGAERO Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c2cc(F)ccc2[nH+]1 ZINC000127084583 431964497 /nfs/dbraw/zinc/96/44/97/431964497.db2.gz ZHEUNJXBKBKDKR-AWEZNQCLSA-N 1 0 314.282 3.186 10 0 DGAERO CC(C)C[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC(C)C ZINC000097489717 431969388 /nfs/dbraw/zinc/96/93/88/431969388.db2.gz WGZMDAGCUYOLND-AWEZNQCLSA-N 1 0 322.415 3.401 10 0 DGAERO CCN1CCC[C@@H]1C[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055401266 431981353 /nfs/dbraw/zinc/98/13/53/431981353.db2.gz XDQTVXOCVXGOGO-GOSISDBHSA-N 1 0 310.445 3.026 10 0 DGAERO C[C@H](CN1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000127947868 431984630 /nfs/dbraw/zinc/98/46/30/431984630.db2.gz POPREBBOUBRYHR-CYBMUJFWSA-N 1 0 323.278 3.333 10 0 DGAERO CC1(C)CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000153876841 281134862 /nfs/dbraw/zinc/13/48/62/281134862.db2.gz UWFKWJQEPGFMKV-ZQIUZPCESA-N 1 0 300.446 3.433 10 0 DGAERO CC(=O)Nc1cccc(C[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000101545197 431985869 /nfs/dbraw/zinc/98/58/69/431985869.db2.gz UXCVGCXERKZYRT-UHFFFAOYSA-N 1 0 304.434 3.282 10 0 DGAERO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000128097320 431986962 /nfs/dbraw/zinc/98/69/62/431986962.db2.gz YRLQLEJNFRHNNF-KRWDZBQOSA-N 1 0 317.408 3.239 10 0 DGAERO O=C(Cc1cccc(O)c1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000101634988 431987098 /nfs/dbraw/zinc/98/70/98/431987098.db2.gz SUUHKPJHHHBOPX-UHFFFAOYSA-N 1 0 310.397 3.169 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3c2cccc3Cl)C1 ZINC000056904261 431989485 /nfs/dbraw/zinc/98/94/85/431989485.db2.gz PDTALMARIMZFJT-MLGOLLRUSA-N 1 0 321.852 3.111 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1F ZINC000174980003 288310531 /nfs/dbraw/zinc/31/05/31/288310531.db2.gz BTBPBHQUYQQIKS-QWHCGFSZSA-N 1 0 310.800 3.178 10 0 DGAERO Cc1cccc2ncnc(N3CCC([N@H+]4CCC[C@H]4C)CC3)c12 ZINC000301781626 281322072 /nfs/dbraw/zinc/32/20/72/281322072.db2.gz NFBRIHPJNCMLOI-OAHLLOKOSA-N 1 0 310.445 3.391 10 0 DGAERO COc1c(C)cnc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1C ZINC000128352588 431992043 /nfs/dbraw/zinc/99/20/43/431992043.db2.gz MBLVAJOETCTKCG-RDJZCZTQSA-N 1 0 314.433 3.177 10 0 DGAERO CCCCS[C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000057441496 431992266 /nfs/dbraw/zinc/99/22/66/431992266.db2.gz VJYAONKRWVWYSF-HOCLYGCPSA-N 1 0 308.491 3.327 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2)[C@H]1c1ccccc1 ZINC000248120601 432269313 /nfs/dbraw/zinc/26/93/13/432269313.db2.gz UFYUFZRZOYOMNF-AZUAARDMSA-N 1 0 324.424 3.017 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCCO1 ZINC000183201566 432269291 /nfs/dbraw/zinc/26/92/91/432269291.db2.gz GOOPCEZHRKWUHW-KXBFYZLASA-N 1 0 324.424 3.449 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1c1ccccc1 ZINC000248139116 432270031 /nfs/dbraw/zinc/27/00/31/432270031.db2.gz YCJIETYBEIRNIQ-DLBZAZTESA-N 1 0 316.351 3.140 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000248126175 432270746 /nfs/dbraw/zinc/27/07/46/432270746.db2.gz VNIBWNVXMYKEDB-RBUKOAKNSA-N 1 0 320.436 3.280 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(Cc3coc(-c4cccs4)n3)CC[C@H]21 ZINC000248127652 432270948 /nfs/dbraw/zinc/27/09/48/432270948.db2.gz OCJWJYVMTQPAPK-UKRRQHHQSA-N 1 0 317.458 3.319 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1c1ccccc1 ZINC000248139119 432270976 /nfs/dbraw/zinc/27/09/76/432270976.db2.gz YCJIETYBEIRNIQ-IAGOWNOFSA-N 1 0 316.351 3.140 10 0 DGAERO CC(C)Cn1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cn1 ZINC000183229489 432271148 /nfs/dbraw/zinc/27/11/48/432271148.db2.gz ZCDVLNQFVXWBMS-HNNXBMFYSA-N 1 0 304.463 3.375 10 0 DGAERO C[NH+](C)C[C@H]1CCCCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000151737969 432271739 /nfs/dbraw/zinc/27/17/39/432271739.db2.gz RDAOAPCLFZXJNT-OAHLLOKOSA-N 1 0 324.415 3.230 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)CCCO2 ZINC000248165985 432272359 /nfs/dbraw/zinc/27/23/59/432272359.db2.gz SYJYVUGJBZWZAX-KBRIMQKVSA-N 1 0 305.418 3.050 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1c1ccccc1 ZINC000248146672 432272478 /nfs/dbraw/zinc/27/24/78/432272478.db2.gz ZUVLFTTWBXAEQL-PKOBYXMFSA-N 1 0 319.408 3.343 10 0 DGAERO CCCCS[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248147436 432272714 /nfs/dbraw/zinc/27/27/14/432272714.db2.gz ZWNDRFWKHLNMJP-PVAVHDDUSA-N 1 0 320.502 3.470 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)CCS2 ZINC000191516927 432273171 /nfs/dbraw/zinc/27/31/71/432273171.db2.gz WDXIRPZMNFEERN-DAXOMENPSA-N 1 0 307.459 3.373 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000151757658 432273355 /nfs/dbraw/zinc/27/33/55/432273355.db2.gz CBACOMRICPWTRP-HNNXBMFYSA-N 1 0 313.445 3.199 10 0 DGAERO CC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000173345768 432273730 /nfs/dbraw/zinc/27/37/30/432273730.db2.gz CFBQPKNWXKLXHM-IAGOWNOFSA-N 1 0 310.869 3.228 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000191549795 432275411 /nfs/dbraw/zinc/27/54/11/432275411.db2.gz FNRPORLGFZQBQT-UHFFFAOYSA-N 1 0 318.421 3.332 10 0 DGAERO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000173406785 432276247 /nfs/dbraw/zinc/27/62/47/432276247.db2.gz VOLOBIJAXWHOLY-LNRIEFBSSA-N 1 0 307.482 3.270 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)N(C)C1CCC1)c1ccccc1 ZINC000173413728 432276503 /nfs/dbraw/zinc/27/65/03/432276503.db2.gz WZHIDIGBVVEYGB-KRWDZBQOSA-N 1 0 303.450 3.263 10 0 DGAERO C[C@@H]1CC[C@H](C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)O1 ZINC000248295165 432279087 /nfs/dbraw/zinc/27/90/87/432279087.db2.gz YJLWAHFSZKEPET-JFIYKMOQSA-N 1 0 322.493 3.057 10 0 DGAERO c1csc(-c2cc(CN3CC[N@@H+]4CCCC[C@H]4C3)no2)c1 ZINC000248341389 432280830 /nfs/dbraw/zinc/28/08/30/432280830.db2.gz JAMQTCRJHINEFM-AWEZNQCLSA-N 1 0 303.431 3.073 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccnc2)[C@@H]2CCCC[C@H]21 ZINC000248375984 432282319 /nfs/dbraw/zinc/28/23/19/432282319.db2.gz ZADPZMMIBAGZPH-FHLIZLRMSA-N 1 0 310.445 3.493 10 0 DGAERO Cc1cccnc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248389466 432282776 /nfs/dbraw/zinc/28/27/76/432282776.db2.gz GOZDCCNMJBJUMM-WBVHZDCISA-N 1 0 324.428 3.032 10 0 DGAERO CC[C@H]1C[N@@H+]([C@H](C)CCc2cccc(F)c2)CCN1CCOC ZINC000248384761 432284078 /nfs/dbraw/zinc/28/40/78/432284078.db2.gz FYRCRYKUDIPQFJ-APWZRJJASA-N 1 0 322.468 3.189 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+]([C@@H](C)CCc3cccc(F)c3)[C@@H]2C1 ZINC000248383718 432284157 /nfs/dbraw/zinc/28/41/57/432284157.db2.gz BCTUQADQKDNAAF-PIKADFDJSA-N 1 0 321.436 3.415 10 0 DGAERO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cccc2cnccc21 ZINC000183360087 432285350 /nfs/dbraw/zinc/28/53/50/432285350.db2.gz FVFISEMOWKRBPV-UHFFFAOYSA-N 1 0 300.402 3.398 10 0 DGAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191696373 432291590 /nfs/dbraw/zinc/29/15/90/432291590.db2.gz VLYTUXWZBQXFPD-BQBZGAKWSA-N 1 0 312.660 3.271 10 0 DGAERO CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000248450805 432291808 /nfs/dbraw/zinc/29/18/08/432291808.db2.gz IUCMLTDYMBHWQD-ZACQAIPSSA-N 1 0 302.466 3.251 10 0 DGAERO CC(C)=CCOc1cccc(C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000173624457 432291949 /nfs/dbraw/zinc/29/19/49/432291949.db2.gz PHUWWJBNMPOUSR-UHFFFAOYSA-N 1 0 316.445 3.198 10 0 DGAERO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000173650594 432293737 /nfs/dbraw/zinc/29/37/37/432293737.db2.gz UXRBGLGOEXXIKE-VQIMIIECSA-N 1 0 323.440 3.314 10 0 DGAERO CCC[C@H](C)C[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000183514156 432298557 /nfs/dbraw/zinc/29/85/57/432298557.db2.gz APHBZFFEOKMOMO-AWEZNQCLSA-N 1 0 319.449 3.342 10 0 DGAERO O[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000248540930 432298666 /nfs/dbraw/zinc/29/86/66/432298666.db2.gz BIXPGYPPQDBCFA-SJORKVTESA-N 1 0 316.470 3.316 10 0 DGAERO CCn1c(C)nnc1CN(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000173865193 432303886 /nfs/dbraw/zinc/30/38/86/432303886.db2.gz FQSJHWATGUPIKJ-PREGVCBESA-N 1 0 320.481 3.166 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCCc3ccccc3)[C@H]2C1 ZINC000248583226 432303914 /nfs/dbraw/zinc/30/39/14/432303914.db2.gz WRJAGYFJSPBELT-CEXWTWQISA-N 1 0 303.446 3.278 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](CCCOCc1ccccc1)CC2 ZINC000248565615 432301302 /nfs/dbraw/zinc/30/13/02/432301302.db2.gz KQZUUEQLPLDMLX-OALUTQOASA-N 1 0 303.446 3.220 10 0 DGAERO Cc1csc([C@H]([NH2+]C[C@](C)(O)c2ccccc2)C2CC2)n1 ZINC000183542281 432302582 /nfs/dbraw/zinc/30/25/82/432302582.db2.gz WMFSCHPQQSHXFE-WBVHZDCISA-N 1 0 302.443 3.400 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2ccn(C)c2c1 ZINC000173829125 432302678 /nfs/dbraw/zinc/30/26/78/432302678.db2.gz NXYFVSWLBWLYPT-CYBMUJFWSA-N 1 0 302.422 3.030 10 0 DGAERO CCCN(Cc1ccccc1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057870085 431993974 /nfs/dbraw/zinc/99/39/74/431993974.db2.gz QMXRLCVTWNIQIS-KRWDZBQOSA-N 1 0 303.450 3.093 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)cn1 ZINC000128502430 431995425 /nfs/dbraw/zinc/99/54/25/431995425.db2.gz BZMYBRBYNCQNBV-LBPRGKRZSA-N 1 0 304.463 3.164 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ncc(-c3ccccc3)o1)CC2 ZINC000128497941 431995652 /nfs/dbraw/zinc/99/56/52/431995652.db2.gz NXAXJYKLKWNMAY-APWZRJJASA-N 1 0 312.413 3.469 10 0 DGAERO CN(C)C(=O)C1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000102683376 431996930 /nfs/dbraw/zinc/99/69/30/431996930.db2.gz ZUWIYCCWTKPGHK-UHFFFAOYSA-N 1 0 318.505 3.393 10 0 DGAERO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000102770791 431998089 /nfs/dbraw/zinc/99/80/89/431998089.db2.gz JRAKBYQNDZCROM-SZMVWBNQSA-N 1 0 318.461 3.143 10 0 DGAERO c1cnn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nnc(-c3ccccc3)o2)c1 ZINC000128679900 431998304 /nfs/dbraw/zinc/99/83/04/431998304.db2.gz OYHRYOSATIUMJJ-JKSUJKDBSA-N 1 0 323.400 3.207 10 0 DGAERO CCCN(CC1CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248043938 432262814 /nfs/dbraw/zinc/26/28/14/432262814.db2.gz MNLUVXILNSVIRV-MSOLQXFVSA-N 1 0 315.461 3.263 10 0 DGAERO CCN(CCc1nccs1)Cc1nccn1-c1ccccc1 ZINC000191418065 432263040 /nfs/dbraw/zinc/26/30/40/432263040.db2.gz CKUFBGXNUFQHLF-UHFFFAOYSA-N 1 0 312.442 3.393 10 0 DGAERO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1nccn1C ZINC000183156240 432263416 /nfs/dbraw/zinc/26/34/16/432263416.db2.gz QNEQGGIXMAYWRC-GFCCVEGCSA-N 1 0 314.364 3.108 10 0 DGAERO COCc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248038497 432263964 /nfs/dbraw/zinc/26/39/64/432263964.db2.gz LRICKEFAJDTFAT-RTBURBONSA-N 1 0 324.424 3.008 10 0 DGAERO Cc1ccc2cc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)ccc2n1 ZINC000151698623 432268364 /nfs/dbraw/zinc/26/83/64/432268364.db2.gz UKVYNDUAPALJCL-UGSOOPFHSA-N 1 0 311.429 3.002 10 0 DGAERO C[C@H](O)[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000183212328 432268645 /nfs/dbraw/zinc/26/86/45/432268645.db2.gz QOILZZAKSIHOLC-RYUDHWBXSA-N 1 0 306.793 3.198 10 0 DGAERO C[C@H](C[NH2+]C1c2ccccc2-c2ccccc21)N1CCOCC1 ZINC000183692776 432317940 /nfs/dbraw/zinc/31/79/40/432317940.db2.gz MLJLAQAHTHRWRT-OAHLLOKOSA-N 1 0 308.425 3.067 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)[C@@H]1CCc2ccccc2NC1=O ZINC000191959956 432318040 /nfs/dbraw/zinc/31/80/40/432318040.db2.gz DRGRBSOVKMCMOL-GOSISDBHSA-N 1 0 312.388 3.254 10 0 DGAERO CSCc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1F ZINC000174085610 432319937 /nfs/dbraw/zinc/31/99/37/432319937.db2.gz DRZYRTUFLVVRGD-ZDUSSCGKSA-N 1 0 324.465 3.293 10 0 DGAERO c1coc(-c2ncc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)s2)c1 ZINC000248820955 432320072 /nfs/dbraw/zinc/32/00/72/432320072.db2.gz XBBHUSLJJITVCV-OCCSQVGLSA-N 1 0 322.455 3.109 10 0 DGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC(F)(F)C(F)F)C1 ZINC000248822115 432320228 /nfs/dbraw/zinc/32/02/28/432320228.db2.gz FTTYWVIBVZFGMI-WCQYABFASA-N 1 0 304.331 3.312 10 0 DGAERO CCC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000152328124 432324033 /nfs/dbraw/zinc/32/40/33/432324033.db2.gz LXEBRFSTZWUOEZ-CQSZACIVSA-N 1 0 317.433 3.275 10 0 DGAERO Cc1cc(C)cc(CCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000152337661 432325136 /nfs/dbraw/zinc/32/51/36/432325136.db2.gz XGFJOSKXTOQKEW-SJLPKXTDSA-N 1 0 302.462 3.177 10 0 DGAERO CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000248891311 432327947 /nfs/dbraw/zinc/32/79/47/432327947.db2.gz SCPUZBPGRAWPJJ-MJGOQNOKSA-N 1 0 317.477 3.053 10 0 DGAERO CCn1cc([C@H]2C[N@H+](C[C@H](C)Cc3ccccc3)CCO2)cn1 ZINC000248905528 432328577 /nfs/dbraw/zinc/32/85/77/432328577.db2.gz WJMURQUJILPUMX-VQIMIIECSA-N 1 0 313.445 3.155 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000192071301 432330081 /nfs/dbraw/zinc/33/00/81/432330081.db2.gz IBJQDHHDIATKRE-XJKSGUPXSA-N 1 0 305.418 3.157 10 0 DGAERO CC(C)(C)SCCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000152397568 432330231 /nfs/dbraw/zinc/33/02/31/432330231.db2.gz VSMNHRUIYFYKPD-UHFFFAOYSA-N 1 0 312.523 3.385 10 0 DGAERO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000248970924 432330714 /nfs/dbraw/zinc/33/07/14/432330714.db2.gz GQCVASWJXUEXGR-PBFPGSCMSA-N 1 0 300.406 3.228 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H]2CC[C@H](C)O2)c1 ZINC000248973388 432331660 /nfs/dbraw/zinc/33/16/60/432331660.db2.gz SWBYXAVHQILUMT-LXZKKBNFSA-N 1 0 305.418 3.408 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(OC(C)C)c(OC)c1)[NH+](C)C ZINC000183913992 432333608 /nfs/dbraw/zinc/33/36/08/432333608.db2.gz DKRKZJYSZGZHGD-AWEZNQCLSA-N 1 0 308.422 3.151 10 0 DGAERO CCS(=O)(=O)CCCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000249039738 432334978 /nfs/dbraw/zinc/33/49/78/432334978.db2.gz GNQFPQRWQTZGQS-AEFFLSMTSA-N 1 0 323.502 3.469 10 0 DGAERO C=Cn1cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cn1 ZINC000249036207 432335020 /nfs/dbraw/zinc/33/50/20/432335020.db2.gz SRAFNLVTTMOXSF-IAGOWNOFSA-N 1 0 315.417 3.445 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000192129810 432335769 /nfs/dbraw/zinc/33/57/69/432335769.db2.gz YCGMCJIVKVERCE-ZANVPECISA-N 1 0 302.187 3.103 10 0 DGAERO Brc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)o1 ZINC000249061223 432335977 /nfs/dbraw/zinc/33/59/77/432335977.db2.gz PRBXFGLIGATQOF-QJPTWQEYSA-N 1 0 300.196 3.089 10 0 DGAERO CSc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174313130 432336615 /nfs/dbraw/zinc/33/66/15/432336615.db2.gz LZHNXOOBPQDVBF-UKRRQHHQSA-N 1 0 321.490 3.033 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1C ZINC000249231527 432342583 /nfs/dbraw/zinc/34/25/83/432342583.db2.gz VOYPKVUONCSXOC-TZMCWYRMSA-N 1 0 305.447 3.005 10 0 DGAERO COCCCN1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184007138 432343269 /nfs/dbraw/zinc/34/32/69/432343269.db2.gz AGTYWCUSSPLXGP-AWEZNQCLSA-N 1 0 303.324 3.115 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)o1 ZINC000174397418 432343843 /nfs/dbraw/zinc/34/38/43/432343843.db2.gz HNVVRYCXSZJLRE-ZLDLUXBVSA-N 1 0 307.438 3.082 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249289323 432344744 /nfs/dbraw/zinc/34/47/44/432344744.db2.gz JXJAOTOLDMSIQK-YSHGAJCASA-N 1 0 314.473 3.448 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249289316 432344776 /nfs/dbraw/zinc/34/47/76/432344776.db2.gz JXJAOTOLDMSIQK-BVBHFADKSA-N 1 0 314.473 3.448 10 0 DGAERO CCCc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1 ZINC000249419014 432346574 /nfs/dbraw/zinc/34/65/74/432346574.db2.gz HCLJKDBGCZLNDV-GBESFXJTSA-N 1 0 303.446 3.407 10 0 DGAERO C[C@H](C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000249460729 432347898 /nfs/dbraw/zinc/34/78/98/432347898.db2.gz FKAJHVDKFLWSOJ-IIDMSEBBSA-N 1 0 322.880 3.096 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@@H](O)CC(F)(F)F)C2)c1 ZINC000249488050 432348912 /nfs/dbraw/zinc/34/89/12/432348912.db2.gz USLSNVLQEUEABK-HIFRSBDPSA-N 1 0 301.352 3.406 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)c1ccnn1C ZINC000192248427 432350360 /nfs/dbraw/zinc/35/03/60/432350360.db2.gz INXROQDVKKTMDI-VXGBXAGGSA-N 1 0 322.250 3.464 10 0 DGAERO COc1cccc2c(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)ccnc12 ZINC000249647651 432352914 /nfs/dbraw/zinc/35/29/14/432352914.db2.gz XXQANSQQFSCPCR-GOEBONIOSA-N 1 0 311.429 3.164 10 0 DGAERO CC(C)(O)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000248592077 432304359 /nfs/dbraw/zinc/30/43/59/432304359.db2.gz ZYXUGNKJEYDZDS-BRWVUGGUSA-N 1 0 303.446 3.207 10 0 DGAERO CC(C)[C@H]1CN(Cc2nnc(-c3ccccc3)n2C)CCS1 ZINC000173860452 432304472 /nfs/dbraw/zinc/30/44/72/432304472.db2.gz QMKLTHMTBQSQAG-OAHLLOKOSA-N 1 0 316.474 3.056 10 0 DGAERO CCn1c(C)nnc1CN(C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000173865210 432304528 /nfs/dbraw/zinc/30/45/28/432304528.db2.gz FQSJHWATGUPIKJ-BDVYOWHSSA-N 1 0 320.481 3.166 10 0 DGAERO OC[C@H]1C=C[C@@H]([NH2+]C2c3ccccc3CCc3ccccc32)C1 ZINC000183570237 432304637 /nfs/dbraw/zinc/30/46/37/432304637.db2.gz FUITYEJINKFSOJ-MAUKXSAKSA-N 1 0 305.421 3.401 10 0 DGAERO Cc1ccccc1-c1noc([C@@H](C)N2CCC([NH+](C)C)CC2)n1 ZINC000173865889 432304641 /nfs/dbraw/zinc/30/46/41/432304641.db2.gz XWAPGKSMAMJYMT-CQSZACIVSA-N 1 0 314.433 3.132 10 0 DGAERO O=C(NCCC1=CCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000152110101 432304773 /nfs/dbraw/zinc/30/47/73/432304773.db2.gz KFCSABGVCKXGAK-QGZVFWFLSA-N 1 0 305.466 3.147 10 0 DGAERO C[C@@H]1C[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC(C)(C)C1 ZINC000248592897 432305263 /nfs/dbraw/zinc/30/52/63/432305263.db2.gz SCHXQVLNUAJTOM-NCOADZHNSA-N 1 0 306.494 3.392 10 0 DGAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC(C)(C)C1 ZINC000248622172 432306560 /nfs/dbraw/zinc/30/65/60/432306560.db2.gz YFQSJDCENONGHG-NCOADZHNSA-N 1 0 306.494 3.392 10 0 DGAERO C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)Sc1ccccc1 ZINC000183590379 432306768 /nfs/dbraw/zinc/30/67/68/432306768.db2.gz XQELVKZYQLAXTR-CYBMUJFWSA-N 1 0 315.442 3.058 10 0 DGAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000248654175 432309681 /nfs/dbraw/zinc/30/96/81/432309681.db2.gz PFMPBEWVYQOSNV-OALUTQOASA-N 1 0 320.477 3.067 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)s1 ZINC000183618116 432310422 /nfs/dbraw/zinc/31/04/22/432310422.db2.gz SIGLGJJPGFKLMU-SCZZXKLOSA-N 1 0 308.369 3.206 10 0 DGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccnn1C ZINC000152195323 432310908 /nfs/dbraw/zinc/31/09/08/432310908.db2.gz GFQPUDVIJWMTAI-NEPJUHHUSA-N 1 0 300.431 3.312 10 0 DGAERO C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000173978331 432312104 /nfs/dbraw/zinc/31/21/04/432312104.db2.gz IIQRSBJDFFMNBP-ZACQAIPSSA-N 1 0 317.477 3.059 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@H]2CCCC[C@H]2O)s1 ZINC000248706570 432313452 /nfs/dbraw/zinc/31/34/52/432313452.db2.gz ABWFRBCTCUXDGJ-GHMZBOCLSA-N 1 0 322.396 3.453 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)c3nc(C)cc(=O)[nH]3)C2)n1 ZINC000248729122 432314607 /nfs/dbraw/zinc/31/46/07/432314607.db2.gz IYJWRLKFWAIRER-QWHCGFSZSA-N 1 0 318.446 3.196 10 0 DGAERO Cc1cc2occ(C(=O)N3CCC[N@@H+](C4CC4)CC3)c2cc1C ZINC000184278273 432374290 /nfs/dbraw/zinc/37/42/90/432374290.db2.gz KXXKBGAXZIGLMN-UHFFFAOYSA-N 1 0 312.413 3.360 10 0 DGAERO COC(=O)C1CCC([NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000192438162 432374384 /nfs/dbraw/zinc/37/43/84/432374384.db2.gz GJEUDWVVZMJHNK-LKSINWNRSA-N 1 0 309.381 3.217 10 0 DGAERO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000252321441 432375601 /nfs/dbraw/zinc/37/56/01/432375601.db2.gz AONZPJLXLIMXMD-QWHCGFSZSA-N 1 0 306.360 3.030 10 0 DGAERO Cn1c2ccc(C[NH2+]Cc3ccccc3F)cc2sc1=O ZINC000192451846 432376826 /nfs/dbraw/zinc/37/68/26/432376826.db2.gz FECLMWVOJVZXKG-UHFFFAOYSA-N 1 0 302.374 3.029 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2cccs2)CC[N@@H+]1C ZINC000174931283 432380256 /nfs/dbraw/zinc/38/02/56/432380256.db2.gz OWEVZVSGWFYWEM-KGLIPLIRSA-N 1 0 323.506 3.150 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)ccc1F ZINC000153099969 432383917 /nfs/dbraw/zinc/38/39/17/432383917.db2.gz ZCIGJRYQFHGJMW-CYBMUJFWSA-N 1 0 322.424 3.324 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000174967567 432384089 /nfs/dbraw/zinc/38/40/89/432384089.db2.gz INYQDFFDOWHGMI-VHSXEESVSA-N 1 0 316.232 3.020 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccccc1OC(F)F)[S@](C)=O ZINC000252730751 432386258 /nfs/dbraw/zinc/38/62/58/432386258.db2.gz MSIPCNZNMKYNTL-NLQQUQSOSA-N 1 0 305.390 3.096 10 0 DGAERO O=C(c1scnc1C1CCCC1)N1CCN2CCCC[C@H]2C1 ZINC000184389036 432386677 /nfs/dbraw/zinc/38/66/77/432386677.db2.gz ONNKDZXQYCMDEY-AWEZNQCLSA-N 1 0 319.474 3.111 10 0 DGAERO CC(C)CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C(C)(C)C ZINC000174997693 432386858 /nfs/dbraw/zinc/38/68/58/432386858.db2.gz QYUCSJIEZZVYKG-SJORKVTESA-N 1 0 321.509 3.493 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccncc1 ZINC000192593432 432390638 /nfs/dbraw/zinc/39/06/38/432390638.db2.gz YIAHMKYQWPSSHB-CQSZACIVSA-N 1 0 313.426 3.236 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cc2ccccc2)C1 ZINC000192603202 432392660 /nfs/dbraw/zinc/39/26/60/432392660.db2.gz LNYHMQCLAHPNNP-IRXDYDNUSA-N 1 0 302.462 3.103 10 0 DGAERO O=C(C1CC[NH+](C2CC2)CC1)N1CCCC[C@@H]1c1nccs1 ZINC000192633314 432395328 /nfs/dbraw/zinc/39/53/28/432395328.db2.gz ZBOKEFHIMDONJP-OAHLLOKOSA-N 1 0 319.474 3.071 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000192668275 432398569 /nfs/dbraw/zinc/39/85/69/432398569.db2.gz AKRWKXYETWBSJV-QCUIPMNBSA-N 1 0 308.429 3.139 10 0 DGAERO CCC[N@H+](CCc1cccs1)Cc1nnc(C)n1C1CC1 ZINC000184505999 432398730 /nfs/dbraw/zinc/39/87/30/432398730.db2.gz WJXGCGLHMUVVKH-UHFFFAOYSA-N 1 0 304.463 3.438 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)N(C)Cc1ccccc1 ZINC000192677296 432399436 /nfs/dbraw/zinc/39/94/36/432399436.db2.gz NKWMSKJHXJSLKT-UONOGXRCSA-N 1 0 302.443 3.446 10 0 DGAERO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1(C)CCC1 ZINC000175113039 432399724 /nfs/dbraw/zinc/39/97/24/432399724.db2.gz CSSZHBXSXLIKNM-UHFFFAOYSA-N 1 0 300.402 3.414 10 0 DGAERO C[C@H]1CCC[N@H+](CCNC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000255112467 432407646 /nfs/dbraw/zinc/40/76/46/432407646.db2.gz SRFCUAOGHLHDAC-PRSOIBJXSA-N 1 0 304.409 3.077 10 0 DGAERO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000192703807 432402158 /nfs/dbraw/zinc/40/21/58/432402158.db2.gz RFKHOAJJDCZDNY-HOTGVXAUSA-N 1 0 314.433 3.294 10 0 DGAERO CC(C)[C@H](SCc1ccccc1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000249771284 432358244 /nfs/dbraw/zinc/35/82/44/432358244.db2.gz BSIRPEPIUNHTFY-PVAVHDDUSA-N 1 0 320.502 3.059 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000249856081 432359091 /nfs/dbraw/zinc/35/90/91/432359091.db2.gz DGNKUGXXSVGQAJ-HIFRSBDPSA-N 1 0 302.397 3.378 10 0 DGAERO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249866974 432360380 /nfs/dbraw/zinc/36/03/80/432360380.db2.gz IHYBRNOWCQPBRY-AEGPPILISA-N 1 0 323.506 3.324 10 0 DGAERO c1nc(CNc2ccc(OCC[NH+]3CCCCC3)cc2)co1 ZINC000192327023 432360494 /nfs/dbraw/zinc/36/04/94/432360494.db2.gz ZCPLRMFOPFLDQW-UHFFFAOYSA-N 1 0 301.390 3.151 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+]([C@H](C)C(=O)NCCC(C)C)C2)n1 ZINC000249871936 432360735 /nfs/dbraw/zinc/36/07/35/432360735.db2.gz KFKVZQPZCRIZGX-CABCVRRESA-N 1 0 323.506 3.182 10 0 DGAERO CCCC[C@@H]1CCC[C@H]1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174678996 432364052 /nfs/dbraw/zinc/36/40/52/432364052.db2.gz UPLLRKUQADPVLY-IXDOHACOSA-N 1 0 305.466 3.001 10 0 DGAERO CCC[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000250123136 432364460 /nfs/dbraw/zinc/36/44/60/432364460.db2.gz JBZXSJRPWNVWEY-ZWKOTPCHSA-N 1 0 300.446 3.267 10 0 DGAERO O[C@@H](CNc1ccnc2cc(Cl)ccc21)C[NH+]1CCCCC1 ZINC000174684843 432364613 /nfs/dbraw/zinc/36/46/13/432364613.db2.gz GAHODKFDGVSBGX-AWEZNQCLSA-N 1 0 319.836 3.147 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1O ZINC000250132206 432365941 /nfs/dbraw/zinc/36/59/41/432365941.db2.gz XHODKWSLUBWGEC-SCLBCKFNSA-N 1 0 300.377 3.090 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C)c1ccsc1 ZINC000250540647 432367421 /nfs/dbraw/zinc/36/74/21/432367421.db2.gz NFEKJBZQJWWZSI-NUEKZKHPSA-N 1 0 324.490 3.062 10 0 DGAERO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc(C)cs1 ZINC000174764460 432369043 /nfs/dbraw/zinc/36/90/43/432369043.db2.gz LWUJJUKOHSGZMW-MCIONIFRSA-N 1 0 324.494 3.027 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000184754173 432428756 /nfs/dbraw/zinc/42/87/56/432428756.db2.gz GPGBKMHXOHRMEL-AEFFLSMTSA-N 1 0 322.493 3.059 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717153 432459073 /nfs/dbraw/zinc/45/90/73/432459073.db2.gz NWSJHQPZHGEWLB-CZUORRHYSA-N 1 0 320.868 3.150 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000184756383 432429991 /nfs/dbraw/zinc/42/99/91/432429991.db2.gz VWXCLEBFTGHMTK-MRXNPFEDSA-N 1 0 320.477 3.316 10 0 DGAERO CC(C)c1nc([C@H]2CCCN2CC[NH+]2CCC(C)CC2)no1 ZINC000153657362 432430789 /nfs/dbraw/zinc/43/07/89/432430789.db2.gz WQPYMCYPTFGMQS-OAHLLOKOSA-N 1 0 306.454 3.062 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1CSC ZINC000184772865 432431712 /nfs/dbraw/zinc/43/17/12/432431712.db2.gz LAIGEGKZKMYNTH-HNNXBMFYSA-N 1 0 321.490 3.498 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1 ZINC000192944073 432432628 /nfs/dbraw/zinc/43/26/28/432432628.db2.gz RUSXEBZCZGJCKK-KGLIPLIRSA-N 1 0 309.417 3.326 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000175425044 432435487 /nfs/dbraw/zinc/43/54/87/432435487.db2.gz RQIGXNGQJQCCBW-FXAWDEMLSA-N 1 0 324.468 3.127 10 0 DGAERO CCCN(Cc1coc(-c2ccc(F)cc2)n1)C1CC[NH2+]CC1 ZINC000261643467 432437335 /nfs/dbraw/zinc/43/73/35/432437335.db2.gz DNMFXDFXGJJTEN-UHFFFAOYSA-N 1 0 317.408 3.445 10 0 DGAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000261685499 432440696 /nfs/dbraw/zinc/44/06/96/432440696.db2.gz CCDIGRYZULMRQF-ZIAGYGMSSA-N 1 0 306.409 3.067 10 0 DGAERO CCCn1cc(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)cn1 ZINC000261688955 432441683 /nfs/dbraw/zinc/44/16/83/432441683.db2.gz IKJIMQURSYCREJ-KRWDZBQOSA-N 1 0 318.852 3.093 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCc2ccccc21 ZINC000261709872 432443078 /nfs/dbraw/zinc/44/30/78/432443078.db2.gz KLLYUUYLIJDKID-FQEVSTJZSA-N 1 0 322.452 3.137 10 0 DGAERO c1ccc2cc(CCN3CC[NH2+]C[C@H]3c3cccnc3)ccc2c1 ZINC000261711283 432443843 /nfs/dbraw/zinc/44/38/43/432443843.db2.gz KLZUYZXFPHXZSV-NRFANRHFSA-N 1 0 317.436 3.424 10 0 DGAERO CCCn1cc(CN2CC[NH2+]C[C@@H]2c2ccc(CC)cc2)cn1 ZINC000261724365 432443933 /nfs/dbraw/zinc/44/39/33/432443933.db2.gz NQOIAXNLDBDECO-LJQANCHMSA-N 1 0 312.461 3.002 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1sccc1C1CC1 ZINC000261715605 432444155 /nfs/dbraw/zinc/44/41/55/432444155.db2.gz VZBKFBJNBNMYFS-DOOHLRMFSA-N 1 0 304.459 3.261 10 0 DGAERO Nc1ncc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)s1 ZINC000261744259 432446473 /nfs/dbraw/zinc/44/64/73/432446473.db2.gz IYZDIKWUFMLPSN-UHFFFAOYSA-N 1 0 323.849 3.174 10 0 DGAERO Fc1cccc(Cl)c1CCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261759421 432448290 /nfs/dbraw/zinc/44/82/90/432448290.db2.gz NWMCWUATBYTHME-QGZVFWFLSA-N 1 0 319.811 3.063 10 0 DGAERO C[NH2+]C1CCN(Cc2nc3ccccc3c(C)c2Cl)CC1 ZINC000261797430 432450130 /nfs/dbraw/zinc/45/01/30/432450130.db2.gz YJXLOIFHIHDXCS-UHFFFAOYSA-N 1 0 303.837 3.380 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CC[C@H](c4ccccc4)C3)on2)cn1 ZINC000184990174 432454418 /nfs/dbraw/zinc/45/44/18/432454418.db2.gz YDAIEDSGOZULNR-HNNXBMFYSA-N 1 0 308.385 3.065 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000153895685 432454455 /nfs/dbraw/zinc/45/44/55/432454455.db2.gz KKGMZISEBUVSAN-MRXNPFEDSA-N 1 0 300.402 3.150 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCCc4ccccc4C3)on2)cn1 ZINC000185001056 432454600 /nfs/dbraw/zinc/45/46/00/432454600.db2.gz WTVFXVSVYZOSGG-UHFFFAOYSA-N 1 0 308.385 3.024 10 0 DGAERO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185014018 432455523 /nfs/dbraw/zinc/45/55/23/432455523.db2.gz RXMQHGWVUHBEMK-DZGCQCFKSA-N 1 0 320.462 3.181 10 0 DGAERO C[NH2+][C@@H](C)Cc1noc(COc2ccc(C(C)(C)C)cc2)n1 ZINC000261865885 432456298 /nfs/dbraw/zinc/45/62/98/432456298.db2.gz USPWSDZTWXQJOS-LBPRGKRZSA-N 1 0 303.406 3.097 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)CCSC)c1ccsc1 ZINC000193215657 432458151 /nfs/dbraw/zinc/45/81/51/432458151.db2.gz WTWNYRBMSRAUGL-CYBMUJFWSA-N 1 0 300.493 3.000 10 0 DGAERO CCCOc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000153421966 432408402 /nfs/dbraw/zinc/40/84/02/432408402.db2.gz CRFAXUMPQFSDCC-NJAFHUGGSA-N 1 0 316.445 3.012 10 0 DGAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCN2CCO[C@H](C)C2)o1 ZINC000192745868 432408892 /nfs/dbraw/zinc/40/88/92/432408892.db2.gz RUYZFQRFMQOBSU-NVXWUHKLSA-N 1 0 306.450 3.090 10 0 DGAERO C[C@H]1CCC[N@H+](CCNC(=O)C/C=C\c2cccc(F)c2)C1 ZINC000255373882 432410264 /nfs/dbraw/zinc/41/02/64/432410264.db2.gz CJXZUECEQXVXDV-FTWHOSCRSA-N 1 0 304.409 3.077 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000175229783 432413251 /nfs/dbraw/zinc/41/32/51/432413251.db2.gz TZHRCBMIQJEOLP-QWHCGFSZSA-N 1 0 323.403 3.139 10 0 DGAERO COC[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175230713 432413596 /nfs/dbraw/zinc/41/35/96/432413596.db2.gz VXUYBAUNZWTWFP-ZDUSSCGKSA-N 1 0 304.365 3.339 10 0 DGAERO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000175239926 432413829 /nfs/dbraw/zinc/41/38/29/432413829.db2.gz JTPLODRVDFZCLJ-OLZOCXBDSA-N 1 0 302.422 3.256 10 0 DGAERO Cc1ncsc1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)[C@@H]2C1 ZINC000257193463 432415820 /nfs/dbraw/zinc/41/58/20/432415820.db2.gz RQVDGQPLQGVXQP-IAGOWNOFSA-N 1 0 313.470 3.158 10 0 DGAERO CO[C@H](C)c1noc(CN2CC=C(c3cccs3)CC2)n1 ZINC000175245192 432415983 /nfs/dbraw/zinc/41/59/83/432415983.db2.gz BMWCODZQESTGSL-LLVKDONJSA-N 1 0 305.403 3.128 10 0 DGAERO Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c(C)s1 ZINC000192810308 432416096 /nfs/dbraw/zinc/41/60/96/432416096.db2.gz SRGMIMTXNUBKOJ-HIFRSBDPSA-N 1 0 316.474 3.475 10 0 DGAERO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cn[nH]c1 ZINC000271532741 432416852 /nfs/dbraw/zinc/41/68/52/432416852.db2.gz PSUSFPOGVZKLOI-AQXGTKIOSA-N 1 0 310.445 3.256 10 0 DGAERO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184661442 432417987 /nfs/dbraw/zinc/41/79/87/432417987.db2.gz KLVBWMOXNBEZGS-ZIAGYGMSSA-N 1 0 304.434 3.041 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)ccc1F ZINC000153586578 432422907 /nfs/dbraw/zinc/42/29/07/432422907.db2.gz WLALBZIUCJBWPL-CHWSQXEVSA-N 1 0 305.397 3.326 10 0 DGAERO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000192867182 432423585 /nfs/dbraw/zinc/42/35/85/432423585.db2.gz QJCJRZFYLKVDII-VXGBXAGGSA-N 1 0 306.435 3.203 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000175347911 432426530 /nfs/dbraw/zinc/42/65/30/432426530.db2.gz HLEVVEQXTXXSHP-INIZCTEOSA-N 1 0 317.408 3.397 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000257351823 432426609 /nfs/dbraw/zinc/42/66/09/432426609.db2.gz HHFBCIXWGMQFIQ-ZIAGYGMSSA-N 1 0 307.438 3.407 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000257351822 432427720 /nfs/dbraw/zinc/42/77/20/432427720.db2.gz HHFBCIXWGMQFIQ-UONOGXRCSA-N 1 0 307.438 3.407 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1csc(-c2ccco2)n1 ZINC000175360722 432427818 /nfs/dbraw/zinc/42/78/18/432427818.db2.gz RYHIJUSDCVVRGL-AWEZNQCLSA-N 1 0 305.447 3.319 10 0 DGAERO Cc1cccc2[nH]cc(CC[NH2+]Cc3cnccc3N(C)C)c21 ZINC000185182749 432474416 /nfs/dbraw/zinc/47/44/16/432474416.db2.gz XANXGBKFQHVIPC-UHFFFAOYSA-N 1 0 308.429 3.270 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262122211 432475064 /nfs/dbraw/zinc/47/50/64/432475064.db2.gz XJEJXKRMXVBSJU-CRAIPNDOSA-N 1 0 321.896 3.018 10 0 DGAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cccc(F)c1F ZINC000262206659 432478851 /nfs/dbraw/zinc/47/88/51/432478851.db2.gz LBIPIURYHGAGOR-MRXNPFEDSA-N 1 0 318.367 3.120 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(CC2CCC2)C(C)C)CC1 ZINC000193567684 432481350 /nfs/dbraw/zinc/48/13/50/432481350.db2.gz KEGJODVRRDACNU-UHFFFAOYSA-N 1 0 309.498 3.329 10 0 DGAERO COc1ccc(C[C@@H](C)C[NH+]2CCC([C@H](C)O)CC2)cc1F ZINC000185245044 432483013 /nfs/dbraw/zinc/48/30/13/432483013.db2.gz HTGLPUSBZIQQSI-KGLIPLIRSA-N 1 0 309.425 3.106 10 0 DGAERO CCCCC[C@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185269821 432483777 /nfs/dbraw/zinc/48/37/77/432483777.db2.gz OATAXUJUOWGBBR-AWEZNQCLSA-N 1 0 309.429 3.116 10 0 DGAERO CCC1(CC)C[N@H+](CCCSCC(C)C)CC[S@@]1=O ZINC000185259787 432484649 /nfs/dbraw/zinc/48/46/49/432484649.db2.gz TUIVOXZTELZERL-IBGZPJMESA-N 1 0 305.553 3.389 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](Cn2cncn2)C1 ZINC000185303322 432487048 /nfs/dbraw/zinc/48/70/48/432487048.db2.gz USZYKZCKWRTORZ-MRXNPFEDSA-N 1 0 321.428 3.360 10 0 DGAERO CCc1nc2cc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)ccc2o1 ZINC000262495011 432487415 /nfs/dbraw/zinc/48/74/15/432487415.db2.gz LGKODCDPVDKRAS-HNNXBMFYSA-N 1 0 301.390 3.107 10 0 DGAERO COc1ccc(-c2nc(C[N@H+](C)[C@H](CO)CC(C)C)co2)cc1 ZINC000185316861 432489186 /nfs/dbraw/zinc/48/91/86/432489186.db2.gz CUWICPWJUVXOKR-INIZCTEOSA-N 1 0 318.417 3.189 10 0 DGAERO COC(=O)c1cc2cc(C[N@H+](C)[C@@H](CO)CC(C)C)ccc2o1 ZINC000185313850 432489839 /nfs/dbraw/zinc/48/98/39/432489839.db2.gz IHBIDUMZNAWLOE-OAHLLOKOSA-N 1 0 319.401 3.058 10 0 DGAERO CC(C)c1cnc(-c2ccc(NC(=O)[C@@H](C)C3C[NH2+]C3)cc2)o1 ZINC000262529253 432490316 /nfs/dbraw/zinc/49/03/16/432490316.db2.gz LVEVKKZTAMBDMV-LBPRGKRZSA-N 1 0 313.401 3.259 10 0 DGAERO [NH3+][C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000262566367 432490968 /nfs/dbraw/zinc/49/09/68/432490968.db2.gz DGQMBOMTVKWZLS-IXDOHACOSA-N 1 0 314.816 3.260 10 0 DGAERO Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(F)c1 ZINC000176092247 432491836 /nfs/dbraw/zinc/49/18/36/432491836.db2.gz MDHGHHWIQQREAS-MRXNPFEDSA-N 1 0 314.404 3.037 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1c(Cl)ccc(F)c1Cl ZINC000262632003 432494423 /nfs/dbraw/zinc/49/44/23/432494423.db2.gz WVENZCQIOUSSQR-CIUDSAMLSA-N 1 0 319.207 3.437 10 0 DGAERO CCC[C@H](C(=O)Nc1cccc(-c2nc(C)co2)c1)[NH+](C)C ZINC000154383938 432494563 /nfs/dbraw/zinc/49/45/63/432494563.db2.gz NXLCCFHOSGDNKQ-OAHLLOKOSA-N 1 0 301.390 3.319 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000262618315 432494680 /nfs/dbraw/zinc/49/46/80/432494680.db2.gz DXSCKQOJWXMLRM-JTTJXQCZSA-N 1 0 310.482 3.090 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)C2)n1 ZINC000262682929 432497085 /nfs/dbraw/zinc/49/70/85/432497085.db2.gz YWCZFFMHHHKUFV-MJBXVCDLSA-N 1 0 321.490 3.100 10 0 DGAERO CC[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000176164531 432498253 /nfs/dbraw/zinc/49/82/53/432498253.db2.gz QOCQHJASKDCZSZ-AEFFLSMTSA-N 1 0 317.477 3.306 10 0 DGAERO CC[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000176164561 432498647 /nfs/dbraw/zinc/49/86/47/432498647.db2.gz QOCQHJASKDCZSZ-SJLPKXTDSA-N 1 0 317.477 3.306 10 0 DGAERO CC[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000176164546 432498829 /nfs/dbraw/zinc/49/88/29/432498829.db2.gz QOCQHJASKDCZSZ-FUHWJXTLSA-N 1 0 317.477 3.306 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000262723488 432498968 /nfs/dbraw/zinc/49/89/68/432498968.db2.gz GLBWRVIDUVRXST-IUODEOHRSA-N 1 0 308.853 3.023 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(F)c(F)cc1F ZINC000176347781 432513008 /nfs/dbraw/zinc/51/30/08/432513008.db2.gz FVAVZJMENQQMPR-JTQLQIEISA-N 1 0 315.339 3.052 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000262810487 432504123 /nfs/dbraw/zinc/50/41/23/432504123.db2.gz OTGOAUKUDKDQIG-KSSFIOAISA-N 1 0 300.446 3.462 10 0 DGAERO CCCCN(CC)c1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000262811884 432504336 /nfs/dbraw/zinc/50/43/36/432504336.db2.gz OUYYLCOZNOCTSE-QAPCUYQASA-N 1 0 317.477 3.041 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000262844542 432504974 /nfs/dbraw/zinc/50/49/74/432504974.db2.gz RPQVTFORWAPXIW-DYVFJYSZSA-N 1 0 314.454 3.046 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000176293592 432508061 /nfs/dbraw/zinc/50/80/61/432508061.db2.gz QUUBRJPMYWLBQE-MRXNPFEDSA-N 1 0 318.465 3.009 10 0 DGAERO CCOc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1F ZINC000176315590 432509720 /nfs/dbraw/zinc/50/97/20/432509720.db2.gz KEYGFTJLIZJQBT-AWEZNQCLSA-N 1 0 323.412 3.172 10 0 DGAERO CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000176315860 432510065 /nfs/dbraw/zinc/51/00/65/432510065.db2.gz VOUAJIWHOCXOKI-UKRRQHHQSA-N 1 0 324.852 3.098 10 0 DGAERO CC(C)c1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000261902674 432459974 /nfs/dbraw/zinc/45/99/74/432459974.db2.gz PEFMLYNASUHPIV-TXPKVOOTSA-N 1 0 316.445 3.281 10 0 DGAERO c1c2ccccc2sc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261920623 432460128 /nfs/dbraw/zinc/46/01/28/432460128.db2.gz KFTYZSFJUFXXCY-BBWFWOEESA-N 1 0 316.470 3.148 10 0 DGAERO Cc1cccc(C(C)(C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)c1 ZINC000185054003 432460196 /nfs/dbraw/zinc/46/01/96/432460196.db2.gz VEGBCRSUFFFQRV-UHFFFAOYSA-N 1 0 310.401 3.408 10 0 DGAERO Cc1c(-c2nc(-c3ccc(C[NH3+])cc3)no2)oc2c1C(=O)CCC2 ZINC000261933888 432461237 /nfs/dbraw/zinc/46/12/37/432461237.db2.gz DACUKCGMMPLHEB-UHFFFAOYSA-N 1 0 323.352 3.283 10 0 DGAERO CN(Cc1ccc(Br)c(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261927883 432462057 /nfs/dbraw/zinc/46/20/57/432462057.db2.gz CIWRJGPQQFVAPR-AWEZNQCLSA-N 1 0 315.230 3.020 10 0 DGAERO CCc1nc(C)c(-c2nc(-c3ccc(C[NH3+])cc3)no2)s1 ZINC000261921266 432462385 /nfs/dbraw/zinc/46/23/85/432462385.db2.gz BQQFBYGGIPLTSS-UHFFFAOYSA-N 1 0 300.387 3.190 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)CC2 ZINC000153989137 432463291 /nfs/dbraw/zinc/46/32/91/432463291.db2.gz HEWWCEWMWNSULT-DOMZBBRYSA-N 1 0 318.852 3.202 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000185075586 432463897 /nfs/dbraw/zinc/46/38/97/432463897.db2.gz WGJRNIXWWZLEGJ-DLBZAZTESA-N 1 0 306.425 3.008 10 0 DGAERO CC(C)c1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261959540 432464203 /nfs/dbraw/zinc/46/42/03/432464203.db2.gz XLNCRWHKVOTTAF-GPMSIDNRSA-N 1 0 316.445 3.281 10 0 DGAERO Clc1cccc(Cl)c1CCC[NH2+]CCCn1ccnn1 ZINC000193312049 432465274 /nfs/dbraw/zinc/46/52/74/432465274.db2.gz LUCHSRLSXXWVDK-UHFFFAOYSA-N 1 0 313.232 3.197 10 0 DGAERO Fc1cccc(Cl)c1C[C@H]1CCCN1C[C@H]1CCC[NH2+]C1 ZINC000262033392 432469440 /nfs/dbraw/zinc/46/94/40/432469440.db2.gz XKFZPPRTPRTVPE-UONOGXRCSA-N 1 0 310.844 3.486 10 0 DGAERO O=C(Nc1nc(C2CC2)cs1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000194440546 432550477 /nfs/dbraw/zinc/55/04/77/432550477.db2.gz PCBUURRQPCEPMA-CYBMUJFWSA-N 1 0 320.462 3.113 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)c3cccn3C)C2)cc1 ZINC000155340244 432550889 /nfs/dbraw/zinc/55/08/89/432550889.db2.gz JANGNKGFSYROPX-GOEBONIOSA-N 1 0 312.413 3.094 10 0 DGAERO COc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)c3cccn3C)C2)cc1 ZINC000155340061 432551164 /nfs/dbraw/zinc/55/11/64/432551164.db2.gz JANGNKGFSYROPX-HOCLYGCPSA-N 1 0 312.413 3.094 10 0 DGAERO CC[C@@H](C)c1ccccc1OCC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194647965 432565413 /nfs/dbraw/zinc/56/54/13/432565413.db2.gz GUQNRGBEVDODCN-CVEARBPZSA-N 1 0 318.461 3.179 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000155411310 432553885 /nfs/dbraw/zinc/55/38/85/432553885.db2.gz KPTVLQSPZDUQER-YGRLFVJLSA-N 1 0 315.244 3.452 10 0 DGAERO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000155489612 432557453 /nfs/dbraw/zinc/55/74/53/432557453.db2.gz SHWCJOYOSQDIQH-RYQLBKOJSA-N 1 0 302.462 3.415 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000186103675 432558816 /nfs/dbraw/zinc/55/88/16/432558816.db2.gz ISCDXRYOOGWYQJ-LBPRGKRZSA-N 1 0 314.414 3.188 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCSc2ccccc2F)C1 ZINC000155520400 432558909 /nfs/dbraw/zinc/55/89/09/432558909.db2.gz IAAWFGPXLNROKZ-HIFRSBDPSA-N 1 0 324.465 3.153 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000192517716 288361568 /nfs/dbraw/zinc/36/15/68/288361568.db2.gz ZZDKVQDLNYPQOY-NEWSRXKRSA-N 1 0 302.462 3.056 10 0 DGAERO COc1c(C)cc(CN(C)C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1C ZINC000263098520 432519401 /nfs/dbraw/zinc/51/94/01/432519401.db2.gz ZEPSIGMSOMGRSQ-LPHOPBHVSA-N 1 0 318.461 3.178 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2C)C12CCOCC2 ZINC000185657524 432519913 /nfs/dbraw/zinc/51/99/13/432519913.db2.gz MXBDWQDFWNATPJ-MSOLQXFVSA-N 1 0 303.446 3.367 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)COC2CCOCC2)cc1 ZINC000176420287 432520785 /nfs/dbraw/zinc/52/07/85/432520785.db2.gz NNFGLYIUCPXRBY-MAUKXSAKSA-N 1 0 321.461 3.017 10 0 DGAERO Cc1ccc(CN(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC000194082982 432523832 /nfs/dbraw/zinc/52/38/32/432523832.db2.gz VNWLVWFDQJBZGL-AWEZNQCLSA-N 1 0 321.465 3.240 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176474283 432526961 /nfs/dbraw/zinc/52/69/61/432526961.db2.gz HRKVNIAZKVFQOC-XYJFISCASA-N 1 0 315.461 3.058 10 0 DGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000194143344 432527940 /nfs/dbraw/zinc/52/79/40/432527940.db2.gz ZOYBGCKRLVRHMZ-RDBSUJKOSA-N 1 0 320.399 3.298 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cccc(O)c1 ZINC000154956787 432529973 /nfs/dbraw/zinc/52/99/73/432529973.db2.gz WRSUPYBMUNQTRC-OAHLLOKOSA-N 1 0 313.397 3.204 10 0 DGAERO Cc1cccc2c1ncnc2N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000154948996 432530702 /nfs/dbraw/zinc/53/07/02/432530702.db2.gz GWBHMVQCHOSVIA-OAHLLOKOSA-N 1 0 310.445 3.391 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000185815496 432534698 /nfs/dbraw/zinc/53/46/98/432534698.db2.gz GFBDCYVTYUJFQH-ZDUSSCGKSA-N 1 0 302.418 3.447 10 0 DGAERO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000185817648 432535601 /nfs/dbraw/zinc/53/56/01/432535601.db2.gz MPRJUYZPDZOYGX-KXMPLOMGSA-N 1 0 302.187 3.005 10 0 DGAERO O=C(CN1CCC[C@@H](C(F)(F)F)C1)NCCC1=CCCCC1 ZINC000194273881 432536218 /nfs/dbraw/zinc/53/62/18/432536218.db2.gz XGCSQQVIXJNGEF-CQSZACIVSA-N 1 0 318.383 3.267 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](C(F)(F)F)C2)[C@@H]1C ZINC000194272632 432536516 /nfs/dbraw/zinc/53/65/16/432536516.db2.gz FQVILBLWRJQFQN-MQYQWHSLSA-N 1 0 320.399 3.202 10 0 DGAERO C=Cn1cc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000194271614 432537365 /nfs/dbraw/zinc/53/73/65/432537365.db2.gz UZSFVWZBVCKHPE-IBGZPJMESA-N 1 0 310.445 3.128 10 0 DGAERO C[N@H+](CCNC(=O)Nc1ccc2cc[nH]c2c1)Cc1ccccc1 ZINC000194301496 432540442 /nfs/dbraw/zinc/54/04/42/432540442.db2.gz ZXIZIOVXXXTYTH-UHFFFAOYSA-N 1 0 322.412 3.421 10 0 DGAERO CC(C)C[C@@H](CNC(=O)C/C=C/c1cccc(F)c1)[NH+](C)C ZINC000176654997 432540462 /nfs/dbraw/zinc/54/04/62/432540462.db2.gz SANCYDWNIYERRD-JKNJVXJCSA-N 1 0 306.425 3.322 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000194314217 432541925 /nfs/dbraw/zinc/54/19/25/432541925.db2.gz JRTMMZSFRXIYAE-CYBMUJFWSA-N 1 0 315.339 3.311 10 0 DGAERO Cc1cscc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000176713956 432547107 /nfs/dbraw/zinc/54/71/07/432547107.db2.gz JCTIULYXQUIWCI-UHFFFAOYSA-N 1 0 306.406 3.187 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000156770796 432606194 /nfs/dbraw/zinc/60/61/94/432606194.db2.gz OFTYVVAZMNFMBG-GWCFXTLKSA-N 1 0 316.214 3.229 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000177331744 432612406 /nfs/dbraw/zinc/61/24/06/432612406.db2.gz SDRVRJCBEDDKQE-NVXWUHKLSA-N 1 0 318.461 3.132 10 0 DGAERO C[C@@]1(C[NH2+][C@H]2CCOC3(CCSCC3)C2)CCCS1 ZINC000155653172 432565705 /nfs/dbraw/zinc/56/57/05/432565705.db2.gz RUZKXZQDRAJLGU-KBPBESRZSA-N 1 0 301.521 3.307 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC000155641080 432566007 /nfs/dbraw/zinc/56/60/07/432566007.db2.gz DZXMMMCDSLUFAE-YYQUZTFQSA-N 1 0 320.864 3.288 10 0 DGAERO [NH3+]Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000155719673 432569048 /nfs/dbraw/zinc/56/90/48/432569048.db2.gz RJOIEKSRRNADDO-UHFFFAOYSA-N 1 0 312.388 3.484 10 0 DGAERO CCc1noc(C)c1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000155712696 432570190 /nfs/dbraw/zinc/57/01/90/432570190.db2.gz KFZFIQZBDNMIDZ-UHFFFAOYSA-N 1 0 322.453 3.322 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2ccccc2s1 ZINC000176989236 432572712 /nfs/dbraw/zinc/57/27/12/432572712.db2.gz MTASKXDBQHLBAK-AWEZNQCLSA-N 1 0 302.443 3.458 10 0 DGAERO COc1ccc([C@H](C)CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000177012405 432574025 /nfs/dbraw/zinc/57/40/25/432574025.db2.gz KJGOCEWSGFICDD-BFYDXBDKSA-N 1 0 318.461 3.130 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2cccc2)cc1 ZINC000177018945 432575835 /nfs/dbraw/zinc/57/58/35/432575835.db2.gz VNYHRAAEVWFFLA-GOSISDBHSA-N 1 0 311.429 3.034 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1csc(C2CC2)n1)c1ccccc1 ZINC000194794347 432577195 /nfs/dbraw/zinc/57/71/95/432577195.db2.gz ORLMGQHXWNYPCL-AWEZNQCLSA-N 1 0 315.442 3.053 10 0 DGAERO COCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1csc(C(C)C)n1 ZINC000186314127 432580780 /nfs/dbraw/zinc/58/07/80/432580780.db2.gz HNMJILWCFMMRMR-KBPBESRZSA-N 1 0 311.495 3.028 10 0 DGAERO CSc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000177085312 432584006 /nfs/dbraw/zinc/58/40/06/432584006.db2.gz TVXVMVCDBAPNJM-TZMCWYRMSA-N 1 0 305.447 3.109 10 0 DGAERO CC[C@H]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000156002898 432585484 /nfs/dbraw/zinc/58/54/84/432585484.db2.gz WQFBBBVELPMJLT-FUHWJXTLSA-N 1 0 321.509 3.473 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000177121752 432587111 /nfs/dbraw/zinc/58/71/11/432587111.db2.gz PBUQEXGIJFDFRL-AWEZNQCLSA-N 1 0 322.330 3.137 10 0 DGAERO CCn1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c2ccccc21 ZINC000177140972 432589703 /nfs/dbraw/zinc/58/97/03/432589703.db2.gz DQMCBIAFIWPJCT-WMLDXEAASA-N 1 0 313.445 3.120 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1Cl ZINC000177218055 432599379 /nfs/dbraw/zinc/59/93/79/432599379.db2.gz PATLLDHOCBAHIC-GFCCVEGCSA-N 1 0 313.792 3.167 10 0 DGAERO C[C@@H](C1CC1)N(Cc1nnc(C2CC2)n1C)Cc1ccccc1 ZINC000195070800 432599919 /nfs/dbraw/zinc/59/99/19/432599919.db2.gz GXXNKUSVJDZQLT-AWEZNQCLSA-N 1 0 310.445 3.493 10 0 DGAERO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000195087541 432601847 /nfs/dbraw/zinc/60/18/47/432601847.db2.gz ZTTYJFHNKKWYGN-KRWDZBQOSA-N 1 0 301.409 3.383 10 0 DGAERO O=C(Cc1cccc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195090633 432601866 /nfs/dbraw/zinc/60/18/66/432601866.db2.gz HVRWNNKUEUAZQK-SFHVURJKSA-N 1 0 308.425 3.079 10 0 DGAERO CCC[N@H+](Cc1nnc(C)n1CC)[C@@H]1CCc2ccccc2C1 ZINC000195108161 432604184 /nfs/dbraw/zinc/60/41/84/432604184.db2.gz HHPCQIWPYSVOCV-GOSISDBHSA-N 1 0 312.461 3.376 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000186684935 432622195 /nfs/dbraw/zinc/62/21/95/432622195.db2.gz MWMYFPZAUOCXLB-JXFKEZNVSA-N 1 0 322.452 3.323 10 0 DGAERO Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000187132941 432648523 /nfs/dbraw/zinc/64/85/23/432648523.db2.gz BHWJWKDEFVLHQC-INIZCTEOSA-N 1 0 317.429 3.231 10 0 DGAERO CN(CC[N@H+](C)C1CC1)Cc1csc(Br)c1 ZINC000186740042 432627522 /nfs/dbraw/zinc/62/75/22/432627522.db2.gz UTUXUULQALGNLY-UHFFFAOYSA-N 1 0 303.269 3.037 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(C)cc2C)CC1 ZINC000157782638 432628360 /nfs/dbraw/zinc/62/83/60/432628360.db2.gz RWVCHOSOIKOIAS-UHFFFAOYSA-N 1 0 317.477 3.225 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000157769971 432629376 /nfs/dbraw/zinc/62/93/76/432629376.db2.gz IXEUOZQQKRUMKD-NVXWUHKLSA-N 1 0 309.498 3.329 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1C ZINC000177496069 432630224 /nfs/dbraw/zinc/63/02/24/432630224.db2.gz CYHGKUQLVHPZOO-JKSUJKDBSA-N 1 0 301.434 3.394 10 0 DGAERO C[N@H+](Cc1cc(Br)ccc1Cl)CC1(CO)CC1 ZINC000186788992 432630263 /nfs/dbraw/zinc/63/02/63/432630263.db2.gz NPZSEGZJMASHQZ-UHFFFAOYSA-N 1 0 318.642 3.307 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000177544101 432634719 /nfs/dbraw/zinc/63/47/19/432634719.db2.gz RYYPKMOKJYEVEC-JKSUJKDBSA-N 1 0 312.417 3.258 10 0 DGAERO CCC[C@H](C)C[NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000157959238 432634816 /nfs/dbraw/zinc/63/48/16/432634816.db2.gz NZOLMJRCILSVTI-QFBILLFUSA-N 1 0 320.477 3.094 10 0 DGAERO C[NH+]1CCC(CNC(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000186999521 432641346 /nfs/dbraw/zinc/64/13/46/432641346.db2.gz QGBDIHKHFVYOOT-UHFFFAOYSA-N 1 0 311.376 3.262 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+][C@H]1Cc3ccccc3[C@H]1O)CCC2 ZINC000248179794 282046511 /nfs/dbraw/zinc/04/65/11/282046511.db2.gz WFMMGVGVVBJTFX-OWCLPIDISA-N 1 0 300.427 3.077 10 0 DGAERO CC[C@@H](C)C[N@H+](CC)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000177856279 432668916 /nfs/dbraw/zinc/66/89/16/432668916.db2.gz BYSISONUAQEAPT-OLZOCXBDSA-N 1 0 308.388 3.155 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCn1ccnn1)CCS2 ZINC000187540432 432669019 /nfs/dbraw/zinc/66/90/19/432669019.db2.gz HQENKHHPRPRQBB-HNNXBMFYSA-N 1 0 302.447 3.112 10 0 DGAERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000222089203 432669133 /nfs/dbraw/zinc/66/91/33/432669133.db2.gz YRPYVKMEBCJOQC-CYBMUJFWSA-N 1 0 308.422 3.088 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccc(F)cc1 ZINC000158608342 432651010 /nfs/dbraw/zinc/65/10/10/432651010.db2.gz IBCQVQPMINFQLA-COXVUDFISA-N 1 0 318.436 3.140 10 0 DGAERO CCc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1F ZINC000158857359 432661524 /nfs/dbraw/zinc/66/15/24/432661524.db2.gz PWZHRJOLICYGOX-UHFFFAOYSA-N 1 0 319.424 3.480 10 0 DGAERO CCc1c(C)[nH+]c2ccccc2c1N1CCO[C@]2(CCOC2)C1 ZINC000274394673 432662144 /nfs/dbraw/zinc/66/21/44/432662144.db2.gz LMSUYSFPVGYMCR-LJQANCHMSA-N 1 0 312.413 3.101 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000177839643 432666255 /nfs/dbraw/zinc/66/62/55/432666255.db2.gz KAARRAFPAIEVJS-HOTGVXAUSA-N 1 0 303.450 3.039 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccc(Br)s2)C1 ZINC000187933472 432692861 /nfs/dbraw/zinc/69/28/61/432692861.db2.gz VUOCYQZTRGEMMV-MFKMUULPSA-N 1 0 318.280 3.494 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2csc(-c3ccccn3)n2)C1 ZINC000187932842 432693644 /nfs/dbraw/zinc/69/36/44/432693644.db2.gz AGDCTDZTAAMPRT-DYVFJYSZSA-N 1 0 317.458 3.188 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187922838 432694207 /nfs/dbraw/zinc/69/42/07/432694207.db2.gz YFOVCQWMSNDKJH-SJCJKPOMSA-N 1 0 324.852 3.070 10 0 DGAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000178124681 432697907 /nfs/dbraw/zinc/69/79/07/432697907.db2.gz RFWJRXLYLXLPSC-ZIAGYGMSSA-N 1 0 309.417 3.326 10 0 DGAERO C[C@@H](O)C1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000225786620 432698103 /nfs/dbraw/zinc/69/81/03/432698103.db2.gz MTHJKHGCZCPAGE-SNVBAGLBSA-N 1 0 316.214 3.181 10 0 DGAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccccc1OC(F)(F)F ZINC000188064643 432701562 /nfs/dbraw/zinc/70/15/62/432701562.db2.gz ASDNRZSNWVMOTK-LLVKDONJSA-N 1 0 303.324 3.398 10 0 DGAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(F)cc1Br ZINC000188064585 432702519 /nfs/dbraw/zinc/70/25/19/432702519.db2.gz YDWUWLUQIIDVBL-SNVBAGLBSA-N 1 0 316.214 3.401 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](COC)C2CCOCC2)C1(CC)CC ZINC000188113504 432706063 /nfs/dbraw/zinc/70/60/63/432706063.db2.gz GWKUSXUYJPTGAQ-YESZJQIVSA-N 1 0 313.482 3.001 10 0 DGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1sccc1Cl ZINC000227721091 432715575 /nfs/dbraw/zinc/71/55/75/432715575.db2.gz FQXRORBRKMHLJS-CYBMUJFWSA-N 1 0 306.818 3.100 10 0 DGAERO C[C@@H](CCSc1ccccc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000178302546 432717349 /nfs/dbraw/zinc/71/73/49/432717349.db2.gz OMNAMJJAGRWBCP-HOTGVXAUSA-N 1 0 316.474 3.486 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c(F)cccc2N2CCCC2)CC[C@H]1C ZINC000188314278 432717568 /nfs/dbraw/zinc/71/75/68/432717568.db2.gz NLFIVNTXCFHNOJ-KDOFPFPSSA-N 1 0 306.425 3.283 10 0 DGAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000178354482 432726584 /nfs/dbraw/zinc/72/65/84/432726584.db2.gz LARCNBFDDBVYPI-ZHALLVOQSA-N 1 0 313.372 3.287 10 0 DGAERO Cc1nc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000221965053 432670166 /nfs/dbraw/zinc/67/01/66/432670166.db2.gz QFHIBSBLWDOXRT-GHMZBOCLSA-N 1 0 313.467 3.405 10 0 DGAERO c1ccc2c(c1)CC([NH2+][C@@H]1CCOC3(CCSCC3)C1)C2 ZINC000222331982 432671516 /nfs/dbraw/zinc/67/15/16/432671516.db2.gz ADRISHLWRWLZRO-MRXNPFEDSA-N 1 0 303.471 3.188 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)cc1 ZINC000159196934 432673934 /nfs/dbraw/zinc/67/39/34/432673934.db2.gz SDMRLQXCCIYMRP-LPHOPBHVSA-N 1 0 310.441 3.345 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)s1 ZINC000177930454 432674275 /nfs/dbraw/zinc/67/42/75/432674275.db2.gz ZLUODJXLOQFTOI-KOLCDFICSA-N 1 0 306.479 3.392 10 0 DGAERO CCC[C@H](C)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000187662167 432675001 /nfs/dbraw/zinc/67/50/01/432675001.db2.gz JKDXBPQEFBNOPS-HNNXBMFYSA-N 1 0 300.446 3.476 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000159201620 432675072 /nfs/dbraw/zinc/67/50/72/432675072.db2.gz LIYLDCXWIAZWNE-VQIMIIECSA-N 1 0 310.441 3.345 10 0 DGAERO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCCOC1 ZINC000177931496 432675966 /nfs/dbraw/zinc/67/59/66/432675966.db2.gz AOIBUTNBHXIRQM-RISCZKNCSA-N 1 0 303.431 3.343 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)o1 ZINC000159215333 432676597 /nfs/dbraw/zinc/67/65/97/432676597.db2.gz QQWWHUWSMPHVMX-WMLDXEAASA-N 1 0 314.429 3.192 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000187689961 432677013 /nfs/dbraw/zinc/67/70/13/432677013.db2.gz UJRWLDMIMFCSKH-AEFFLSMTSA-N 1 0 320.477 3.094 10 0 DGAERO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)C12CC3CC(CC(C3)C1)C2 ZINC000187735160 432680263 /nfs/dbraw/zinc/68/02/63/432680263.db2.gz QMRXQTAPIGOGOR-IWERZKIRSA-N 1 0 302.418 3.073 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccccn1 ZINC000159346221 432680924 /nfs/dbraw/zinc/68/09/24/432680924.db2.gz IXOYOQNEYPHIOP-STQMWFEESA-N 1 0 303.356 3.289 10 0 DGAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cc2ccccc2s1 ZINC000177985472 432682195 /nfs/dbraw/zinc/68/21/95/432682195.db2.gz WFOXWKQFZORZTJ-LLVKDONJSA-N 1 0 303.431 3.095 10 0 DGAERO C[NH2+]C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000224474487 432682516 /nfs/dbraw/zinc/68/25/16/432682516.db2.gz FAWWIPYDYOUCJX-UHFFFAOYSA-N 1 0 308.425 3.107 10 0 DGAERO CCc1nc(C)c([C@H](C)[NH2+]CCNC(=O)c2ccccc2)s1 ZINC000178020040 432685396 /nfs/dbraw/zinc/68/53/96/432685396.db2.gz IZPJHVWOACZKBI-LBPRGKRZSA-N 1 0 317.458 3.095 10 0 DGAERO Cc1cc(C(=O)NCCC[NH+]2CCCCC2)c(Cl)cc1F ZINC000178048662 432688739 /nfs/dbraw/zinc/68/87/39/432688739.db2.gz VNTCPHLCCQFFKW-UHFFFAOYSA-N 1 0 312.816 3.393 10 0 DGAERO Cc1cnn(CCCCC[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000178517246 432746826 /nfs/dbraw/zinc/74/68/26/432746826.db2.gz GFKFSKZCMOZBIR-INIZCTEOSA-N 1 0 321.465 3.025 10 0 DGAERO C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)C1CCC1 ZINC000178527230 432748623 /nfs/dbraw/zinc/74/86/23/432748623.db2.gz JCIUILXMBGOBBV-HNNXBMFYSA-N 1 0 300.446 3.317 10 0 DGAERO CCCCCc1nnc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000236694293 432758553 /nfs/dbraw/zinc/75/85/53/432758553.db2.gz HREGAFKFFLWOHT-AGIUHOORSA-N 1 0 322.478 3.130 10 0 DGAERO CCCCN(Cc1ccccc1F)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000236739081 432762033 /nfs/dbraw/zinc/76/20/33/432762033.db2.gz JBYCTWHSXFOPNS-HOCLYGCPSA-N 1 0 306.425 3.472 10 0 DGAERO CCC[C@H](C(=O)N[C@H](C)Cc1nc2ccccc2s1)[NH+](C)C ZINC000178662804 432762568 /nfs/dbraw/zinc/76/25/68/432762568.db2.gz UDSWLBZIXVIDDT-TZMCWYRMSA-N 1 0 319.474 3.074 10 0 DGAERO CCc1cccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000189135874 432764630 /nfs/dbraw/zinc/76/46/30/432764630.db2.gz MAIFMFJZNJEGHP-SFHVURJKSA-N 1 0 310.445 3.140 10 0 DGAERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000178716211 432769303 /nfs/dbraw/zinc/76/93/03/432769303.db2.gz UTAXDOSXGZAGKZ-HOCLYGCPSA-N 1 0 304.434 3.103 10 0 DGAERO CCO[C@H](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCCC1 ZINC000236942610 432772669 /nfs/dbraw/zinc/77/26/69/432772669.db2.gz JARSECBOYZYHRF-XLAORIBOSA-N 1 0 322.493 3.009 10 0 DGAERO [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161497869 432782749 /nfs/dbraw/zinc/78/27/49/432782749.db2.gz ZICLLZNXRLNHIQ-LLVKDONJSA-N 1 0 315.230 3.149 10 0 DGAERO Cc1nccn1C[C@H](C)C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000178788861 432777952 /nfs/dbraw/zinc/77/79/52/432777952.db2.gz CXOBBMBBFIVMDA-CYBMUJFWSA-N 1 0 306.479 3.272 10 0 DGAERO C[N@@H+](Cc1ncc(-c2ccccc2Cl)o1)C[C@H]1CCOC1 ZINC000178370469 432727456 /nfs/dbraw/zinc/72/74/56/432727456.db2.gz LTJXJKBVKJNUAX-GFCCVEGCSA-N 1 0 306.793 3.463 10 0 DGAERO COC[C@H]([NH2+]Cc1ccc(Cl)cc1F)C1CCOCC1 ZINC000188491373 432728956 /nfs/dbraw/zinc/72/89/56/432728956.db2.gz YVOMDFLYJDFMMX-HNNXBMFYSA-N 1 0 301.789 3.010 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000188552294 432731475 /nfs/dbraw/zinc/73/14/75/432731475.db2.gz WNRMIVVYPLATQF-STQMWFEESA-N 1 0 323.403 3.091 10 0 DGAERO COC[C@H](C)C[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000188570195 432732759 /nfs/dbraw/zinc/73/27/59/432732759.db2.gz YHDRRCBNPTWLJG-CHWSQXEVSA-N 1 0 316.367 3.156 10 0 DGAERO CCCn1cc(C[N@H+](Cc2ccccc2)C[C@@](C)(O)CC)cn1 ZINC000188580090 432732845 /nfs/dbraw/zinc/73/28/45/432732845.db2.gz AITRWIKRIVGKIZ-IBGZPJMESA-N 1 0 315.461 3.456 10 0 DGAERO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000178457386 432740021 /nfs/dbraw/zinc/74/00/21/432740021.db2.gz QYCAUGHBRGEVFM-CRAIPNDOSA-N 1 0 300.446 3.203 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccoc3)C2)c1 ZINC000178466196 432741249 /nfs/dbraw/zinc/74/12/49/432741249.db2.gz QVLIPZRQHQSTIA-CABCVRRESA-N 1 0 300.402 3.465 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccncc2OC)C12CCCC2 ZINC000188761236 432743854 /nfs/dbraw/zinc/74/38/54/432743854.db2.gz LAMNKUHWCYHXGH-IAOVAPTHSA-N 1 0 304.434 3.479 10 0 DGAERO Cc1ccccc1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000243967786 432821077 /nfs/dbraw/zinc/82/10/77/432821077.db2.gz SBKUALQYCFEEEZ-UHFFFAOYSA-N 1 0 308.425 3.060 10 0 DGAERO CCC[C@H](C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C)[NH+](C)C ZINC000162376235 432821437 /nfs/dbraw/zinc/82/14/37/432821437.db2.gz PZJODVSDDUMJSQ-YXJHDRRASA-N 1 0 318.461 3.130 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245523501 432839258 /nfs/dbraw/zinc/83/92/58/432839258.db2.gz DGCNJAHQSZEAFW-PKOBYXMFSA-N 1 0 302.462 3.090 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000245397817 432826469 /nfs/dbraw/zinc/82/64/69/432826469.db2.gz QMSVYFUZSNOCQM-FRRDWIJNSA-N 1 0 310.388 3.120 10 0 DGAERO CCc1nnc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CC)C2)n1C ZINC000245408478 432828500 /nfs/dbraw/zinc/82/85/00/432828500.db2.gz HKYDXFBBIKPKKX-DOTOQJQBSA-N 1 0 312.461 3.393 10 0 DGAERO C[C@H](CNC(=O)C/C=C/c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245412950 432828684 /nfs/dbraw/zinc/82/86/84/432828684.db2.gz ARHFTJQFJJVELO-HFPBVCCTSA-N 1 0 318.436 3.466 10 0 DGAERO CC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245433827 432830245 /nfs/dbraw/zinc/83/02/45/432830245.db2.gz PLOFGTOMDWDXNM-UXHICEINSA-N 1 0 315.505 3.240 10 0 DGAERO CCOc1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)c1 ZINC000245433602 432830782 /nfs/dbraw/zinc/83/07/82/432830782.db2.gz QFPNCEDDNBWVLN-CVEARBPZSA-N 1 0 317.433 3.176 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCN2CCCC[C@@H]2C)cc1OC ZINC000245469110 432835551 /nfs/dbraw/zinc/83/55/51/432835551.db2.gz URWCHMHUAZAYGD-LSDHHAIUSA-N 1 0 306.450 3.229 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000245472247 432835719 /nfs/dbraw/zinc/83/57/19/432835719.db2.gz OURNVXKVQKVXNN-WMZOPIPTSA-N 1 0 317.477 3.224 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000245469426 432835811 /nfs/dbraw/zinc/83/58/11/432835811.db2.gz LTXJSYKBNXTMNC-CJNGLKHVSA-N 1 0 315.392 3.149 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)cc1OC ZINC000245469109 432835831 /nfs/dbraw/zinc/83/58/31/432835831.db2.gz URWCHMHUAZAYGD-HUUCEWRRSA-N 1 0 306.450 3.229 10 0 DGAERO CNC(=O)[C@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)C(C)C ZINC000178951007 432790350 /nfs/dbraw/zinc/79/03/50/432790350.db2.gz XSDSJUTYIQJJAF-MRXNPFEDSA-N 1 0 322.355 3.085 10 0 DGAERO CNC(=O)[C@@H]([NH2+]Cc1sc2ccccc2c1Cl)C(C)C ZINC000178950864 432791097 /nfs/dbraw/zinc/79/10/97/432791097.db2.gz OHDDKAXJFKLWJU-AWEZNQCLSA-N 1 0 310.850 3.415 10 0 DGAERO CCc1cccc(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000161732358 432794903 /nfs/dbraw/zinc/79/49/03/432794903.db2.gz JCNKRWLXJWSBFQ-UHFFFAOYSA-N 1 0 302.462 3.217 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189535554 432798577 /nfs/dbraw/zinc/79/85/77/432798577.db2.gz AFMMRLSJLJIPOY-HNNXBMFYSA-N 1 0 303.450 3.182 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1F ZINC000161806084 432799197 /nfs/dbraw/zinc/79/91/97/432799197.db2.gz HRWDAABZGLJKKE-ZWNOBZJWSA-N 1 0 308.788 3.126 10 0 DGAERO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC(C)(C)O1)c1ccccc1 ZINC000189607501 432803618 /nfs/dbraw/zinc/80/36/18/432803618.db2.gz YEDOWBLJQHQTEY-IRXDYDNUSA-N 1 0 318.461 3.143 10 0 DGAERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCCO[C@@H]3C)c2C1 ZINC000189621713 432804067 /nfs/dbraw/zinc/80/40/67/432804067.db2.gz RQZAIYLYDBCCMR-ZBFHGGJFSA-N 1 0 316.445 3.412 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000237961285 432805780 /nfs/dbraw/zinc/80/57/80/432805780.db2.gz GCWZAAMSWSXYBS-FUHWJXTLSA-N 1 0 324.424 3.009 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2cccs2)C1 ZINC000237944053 432806218 /nfs/dbraw/zinc/80/62/18/432806218.db2.gz BGCWIUUCNQGYTB-OAGGEKHMSA-N 1 0 314.454 3.276 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000237958791 432806328 /nfs/dbraw/zinc/80/63/28/432806328.db2.gz FPGWESLVGCWVJO-XJKSGUPXSA-N 1 0 320.864 3.395 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000189664299 432809317 /nfs/dbraw/zinc/80/93/17/432809317.db2.gz GXFHYBWRPWULBF-GUDVDZBRSA-N 1 0 300.446 3.097 10 0 DGAERO CCOCc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000245771297 432861859 /nfs/dbraw/zinc/86/18/59/432861859.db2.gz RUOKXHCSCJUYOA-YJBOKZPZSA-N 1 0 320.477 3.146 10 0 DGAERO CCOCc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000245771294 432862302 /nfs/dbraw/zinc/86/23/02/432862302.db2.gz RUOKXHCSCJUYOA-MAUKXSAKSA-N 1 0 320.477 3.146 10 0 DGAERO COc1c(C[N@@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)c(C)nn1C ZINC000245792786 432862737 /nfs/dbraw/zinc/86/27/37/432862737.db2.gz WMDLFHAFXNDAPM-SJCJKPOMSA-N 1 0 317.408 3.459 10 0 DGAERO CCCn1cc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cn1 ZINC000245779969 432862777 /nfs/dbraw/zinc/86/27/77/432862777.db2.gz UBMCLRPPJGPZDI-RCDICMHDSA-N 1 0 319.474 3.224 10 0 DGAERO COCc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccc1F ZINC000245824027 432864628 /nfs/dbraw/zinc/86/46/28/432864628.db2.gz AQLBVBFEPGJOOL-DJIMGWMZSA-N 1 0 307.409 3.265 10 0 DGAERO COc1ccccc1[C@@H](C)CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000245834620 432865200 /nfs/dbraw/zinc/86/52/00/432865200.db2.gz BPYCXBQWXONRTQ-HOTGVXAUSA-N 1 0 318.461 3.179 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nc(CC)nc32)C1(C)C ZINC000245873198 432867605 /nfs/dbraw/zinc/86/76/05/432867605.db2.gz JRRZDXPTNJCCQO-RRFJBIMHSA-N 1 0 320.481 3.249 10 0 DGAERO c1sc(Nc2ccccc2)nc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245990468 432873749 /nfs/dbraw/zinc/87/37/49/432873749.db2.gz LMZGXFALXVLOOW-INIZCTEOSA-N 1 0 314.458 3.167 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000245997812 432873955 /nfs/dbraw/zinc/87/39/55/432873955.db2.gz JKXQEUZSGKVIJZ-KSSFIOAISA-N 1 0 315.461 3.369 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cccc2C)[C@@H](C)C1 ZINC000245981334 432874199 /nfs/dbraw/zinc/87/41/99/432874199.db2.gz HAKQPAOHSHJQKX-JKSUJKDBSA-N 1 0 303.450 3.497 10 0 DGAERO CC[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246025965 432874598 /nfs/dbraw/zinc/87/45/98/432874598.db2.gz OUQISQBSEGWFQP-UXLLHSPISA-N 1 0 310.482 3.055 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000246028457 432874666 /nfs/dbraw/zinc/87/46/66/432874666.db2.gz NGFAEKYRIYVJGY-HOCLYGCPSA-N 1 0 319.449 3.198 10 0 DGAERO CCc1nc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)sc1C ZINC000246041801 432875084 /nfs/dbraw/zinc/87/50/84/432875084.db2.gz OYYGGLIIZJKBIL-RISCZKNCSA-N 1 0 324.494 3.208 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC000245556285 432844312 /nfs/dbraw/zinc/84/43/12/432844312.db2.gz RYTBTHXYPPEFNH-HIFRSBDPSA-N 1 0 308.853 3.119 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000245593522 432848261 /nfs/dbraw/zinc/84/82/61/432848261.db2.gz MDACWCLYOOTYGP-MJEQTWJJSA-N 1 0 324.852 3.017 10 0 DGAERO CCc1noc([C@H](C)N2CC[NH+](C[C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000245595814 432848343 /nfs/dbraw/zinc/84/83/43/432848343.db2.gz IMAAOKBYLQOBLV-PMPSAXMXSA-N 1 0 320.481 3.137 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245609380 432849674 /nfs/dbraw/zinc/84/96/74/432849674.db2.gz AQGMTNLMSRLHQW-GOEBONIOSA-N 1 0 320.481 3.107 10 0 DGAERO CCCc1csc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)n1 ZINC000245613031 432850638 /nfs/dbraw/zinc/85/06/38/432850638.db2.gz LCYMFKWLRPUMKI-KGLIPLIRSA-N 1 0 322.478 3.186 10 0 DGAERO C[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245634819 432852019 /nfs/dbraw/zinc/85/20/19/432852019.db2.gz WPONGZLQKSQQQS-IKGGRYGDSA-N 1 0 302.466 3.204 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)C1 ZINC000245652662 432853248 /nfs/dbraw/zinc/85/32/48/432853248.db2.gz CBHUOOUVKBENMT-OWCLPIDISA-N 1 0 319.449 3.247 10 0 DGAERO CC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc(OC)cc1 ZINC000245652404 432853304 /nfs/dbraw/zinc/85/33/04/432853304.db2.gz HVEVJVRBVGBETK-CRAIPNDOSA-N 1 0 318.461 3.179 10 0 DGAERO COc1ccc2oc(C[NH2+][C@@H]3CN(C(C)C)C[C@@H]3C)cc2c1 ZINC000245661578 432854714 /nfs/dbraw/zinc/85/47/14/432854714.db2.gz HRKHMAVILPLOQF-SUMWQHHRSA-N 1 0 302.418 3.260 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ncc(Br)s1 ZINC000245685494 432855660 /nfs/dbraw/zinc/85/56/60/432855660.db2.gz SUPNZFUHYCIVKN-LPEHRKFASA-N 1 0 319.268 3.107 10 0 DGAERO CCCn1nc(C)c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1C ZINC000245718874 432858165 /nfs/dbraw/zinc/85/81/65/432858165.db2.gz HNXFPEPRNCWFKZ-FUHWJXTLSA-N 1 0 305.466 3.037 10 0 DGAERO CSc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1F ZINC000245720239 432859427 /nfs/dbraw/zinc/85/94/27/432859427.db2.gz HHWPLSFXUIPHPF-SMDDNHRTSA-N 1 0 310.438 3.006 10 0 DGAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000245740596 432859687 /nfs/dbraw/zinc/85/96/87/432859687.db2.gz GCQJNWIMQPZURK-YFHUEUNASA-N 1 0 304.482 3.193 10 0 DGAERO c1ccc(-c2cccc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)c2)nc1 ZINC000289097635 432921933 /nfs/dbraw/zinc/92/19/33/432921933.db2.gz BXAADKPNQFENKZ-FQEVSTJZSA-N 1 0 324.424 3.130 10 0 DGAERO [NH3+]C1(c2noc(-c3coc(Br)c3)n2)CCCCC1 ZINC000331638381 432954651 /nfs/dbraw/zinc/95/46/51/432954651.db2.gz WXYVYTCDJGUYEN-UHFFFAOYSA-N 1 0 312.167 3.210 10 0 DGAERO C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@@H]1CCCCN1C1CC1 ZINC000341387729 433044415 /nfs/dbraw/zinc/04/44/15/433044415.db2.gz YTKBYIPMZMKPSL-DFEOGRTESA-N 1 0 306.494 3.188 10 0 DGAERO CC(C)c1cnc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000333251598 433044614 /nfs/dbraw/zinc/04/46/14/433044614.db2.gz CODASJOJOOFDPY-ZDUSSCGKSA-N 1 0 322.478 3.262 10 0 DGAERO C/C=C\C[C@@H](CO)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000349783198 433008109 /nfs/dbraw/zinc/00/81/09/433008109.db2.gz ACDBESDUZXQMGZ-ZRMMWKCHSA-N 1 0 303.324 3.044 10 0 DGAERO Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H]1CCc3ccccc31)CCC2 ZINC000332691471 433012564 /nfs/dbraw/zinc/01/25/64/433012564.db2.gz SSZWDQPLKRNEDU-NVXWUHKLSA-N 1 0 324.428 3.056 10 0 DGAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc2ccccc2c1O ZINC000333081446 433031744 /nfs/dbraw/zinc/03/17/44/433031744.db2.gz QNRVRSGWSLRCFR-UHFFFAOYSA-N 1 0 324.424 3.292 10 0 DGAERO CCc1ncsc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333192609 433039885 /nfs/dbraw/zinc/03/98/85/433039885.db2.gz SMZNXHOQBUVVCF-GXTWGEPZSA-N 1 0 322.478 3.092 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@@H](c2cccnc2)C2CCC2)cn1 ZINC000280382844 433043472 /nfs/dbraw/zinc/04/34/72/433043472.db2.gz VYXNBPPMKZZQAA-GOSISDBHSA-N 1 0 319.412 3.293 10 0 DGAERO O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333516704 433063622 /nfs/dbraw/zinc/06/36/22/433063622.db2.gz GGFYEOFKAORYBY-FVQBIDKESA-N 1 0 321.852 3.027 10 0 DGAERO Cc1ccc(CCCC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156428830 292729874 /nfs/dbraw/zinc/72/98/74/292729874.db2.gz MCDWEFQSOFSNTR-UHFFFAOYSA-N 1 0 302.462 3.166 10 0 DGAERO C[C@H](C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1C[NH2+]C1 ZINC000262199229 289321528 /nfs/dbraw/zinc/32/15/28/289321528.db2.gz MWVDEEPGTJNXHK-YWZLYKJASA-N 1 0 320.436 3.016 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000333729174 433094537 /nfs/dbraw/zinc/09/45/37/433094537.db2.gz HMZPHCFECMQHTE-DDBAPUKQSA-N 1 0 315.461 3.010 10 0 DGAERO CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1nnc2ccccn21 ZINC000446880955 433123820 /nfs/dbraw/zinc/12/38/20/433123820.db2.gz KYMSHTSFDPXPTJ-QGZVFWFLSA-N 1 0 324.428 3.060 10 0 DGAERO C[C@@H](NC(=O)Nc1cccc2c1CCCC2)[C@H]1CCC[NH2+]C1 ZINC000333944726 433133003 /nfs/dbraw/zinc/13/30/03/433133003.db2.gz SGEIWRAHCMXGLZ-HIFRSBDPSA-N 1 0 301.434 3.075 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC000446977791 433141875 /nfs/dbraw/zinc/14/18/75/433141875.db2.gz RQABJHNDYFQFTR-YJBOKZPZSA-N 1 0 302.462 3.233 10 0 DGAERO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(Cl)cc(Cl)c1 ZINC000453387148 433145374 /nfs/dbraw/zinc/14/53/74/433145374.db2.gz AXUFLEOBKGKWEU-XPTSAGLGSA-N 1 0 301.217 3.313 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298376701 433114872 /nfs/dbraw/zinc/11/48/72/433114872.db2.gz VIAVKGUACCEJML-CVEARBPZSA-N 1 0 309.356 3.245 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000336676776 433174451 /nfs/dbraw/zinc/17/44/51/433174451.db2.gz CGUUVAMAQOJFAE-ONGXEEELSA-N 1 0 322.268 3.213 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000157659591 292750161 /nfs/dbraw/zinc/75/01/61/292750161.db2.gz SJGIUGCNZAAJSV-UHFFFAOYSA-N 1 0 321.440 3.089 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(CC)Cc2ccccc2)CC1 ZINC000157645614 292750265 /nfs/dbraw/zinc/75/02/65/292750265.db2.gz VFQXOZAXLAQCHK-UHFFFAOYSA-N 1 0 317.477 3.340 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)Nc2cccc3c2OCCC3)CC1 ZINC000374553802 433221161 /nfs/dbraw/zinc/22/11/61/433221161.db2.gz GGGKNIJVCUDVHT-UHFFFAOYSA-N 1 0 317.433 3.006 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+]Cc2sc(C)cc2Br)C1 ZINC000453610081 433235539 /nfs/dbraw/zinc/23/55/39/433235539.db2.gz QOWLMZSCFBJOFV-VHSXEESVSA-N 1 0 304.253 3.476 10 0 DGAERO c1cc(C[NH2+]CCCNc2ccccc2)n(-c2ccccc2)n1 ZINC000447932725 433324214 /nfs/dbraw/zinc/32/42/14/433324214.db2.gz RCAIWSCQBUBQQM-UHFFFAOYSA-N 1 0 306.413 3.464 10 0 DGAERO c1ccc2c(c1)OC1(CCCCC1)C[C@H]2[NH2+]C[C@@H]1COCCO1 ZINC000338209477 433283408 /nfs/dbraw/zinc/28/34/08/433283408.db2.gz WMLDDFUICFAPSQ-NVXWUHKLSA-N 1 0 317.429 3.218 10 0 DGAERO C=Cn1cc(CNCc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000447853268 433307167 /nfs/dbraw/zinc/30/71/67/433307167.db2.gz DYDZBZJQRIQHJJ-UHFFFAOYSA-N 1 0 310.445 3.259 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000448021336 433345121 /nfs/dbraw/zinc/34/51/21/433345121.db2.gz ICPJQGKOTVEFLS-QAPCUYQASA-N 1 0 304.478 3.336 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]C1(Cc2ccccc2)CC1 ZINC000291753903 433339406 /nfs/dbraw/zinc/33/94/06/433339406.db2.gz QMVNGGZQLHJBCA-UHFFFAOYSA-N 1 0 318.424 3.191 10 0 DGAERO c1nc(-c2ccccc2)sc1CN1CCO[C@H](C2CC2)C1 ZINC000375322099 433427623 /nfs/dbraw/zinc/42/76/23/433427623.db2.gz ZBDGFKNIZPANJB-INIZCTEOSA-N 1 0 300.427 3.421 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]CC1(c2ccccc2)CC1 ZINC000291876904 433379868 /nfs/dbraw/zinc/37/98/68/433379868.db2.gz GNLJYOWQNINHDQ-UHFFFAOYSA-N 1 0 318.424 3.148 10 0 DGAERO c1cncc(COc2ccc(C[N@@H+]3CC[C@@]34CCOC4)cc2)c1 ZINC000421027504 433399631 /nfs/dbraw/zinc/39/96/31/433399631.db2.gz VAEMRQYCOXWGGL-IBGZPJMESA-N 1 0 310.397 3.025 10 0 DGAERO Fc1ccc(CC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1F ZINC000375433887 433462058 /nfs/dbraw/zinc/46/20/58/433462058.db2.gz BFJYNAQSDXYPGC-CYBMUJFWSA-N 1 0 319.355 3.257 10 0 DGAERO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000414205089 433457195 /nfs/dbraw/zinc/45/71/95/433457195.db2.gz CKVUDWLUPQVAHZ-JOYOIKCWSA-N 1 0 317.658 3.142 10 0 DGAERO CCc1nc(C)c(C[NH2+]C2CC(OCc3ccccc3)C2)o1 ZINC000426332944 433466516 /nfs/dbraw/zinc/46/65/16/433466516.db2.gz XVTGHBQWLNCGCK-UHFFFAOYSA-N 1 0 300.402 3.383 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000159342083 292791222 /nfs/dbraw/zinc/79/12/22/292791222.db2.gz GPUGFMOPSQJURC-KSSFIOAISA-N 1 0 324.440 3.320 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)(C)c2ccccc2F)C1 ZINC000164156326 290170794 /nfs/dbraw/zinc/17/07/94/290170794.db2.gz XWIBFJMQXUBEMZ-WMLDXEAASA-N 1 0 318.436 3.046 10 0 DGAERO Clc1cccc(-c2noc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2)c1 ZINC000301266181 433477036 /nfs/dbraw/zinc/47/70/36/433477036.db2.gz WGFUKPQNXQQHFW-CQSZACIVSA-N 1 0 318.808 3.065 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000191181301 290355465 /nfs/dbraw/zinc/35/54/65/290355465.db2.gz QCGHTNXPROXAKA-KBPBESRZSA-N 1 0 319.445 3.376 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1SCCc2ccccc21 ZINC000079561297 290389397 /nfs/dbraw/zinc/38/93/97/290389397.db2.gz ISTLIOPJOSUZLQ-YOEHRIQHSA-N 1 0 318.486 3.008 10 0 DGAERO Cc1nnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000301344800 433518119 /nfs/dbraw/zinc/51/81/19/433518119.db2.gz HWYMTJUHZRGJQP-HNNXBMFYSA-N 1 0 302.447 3.313 10 0 DGAERO Brc1cncc(N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000301392305 433533327 /nfs/dbraw/zinc/53/33/27/433533327.db2.gz HYNBKGUVPCVAHM-AWEZNQCLSA-N 1 0 324.266 3.299 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c2c(c1)OCCCO2 ZINC000355205782 433534311 /nfs/dbraw/zinc/53/43/11/433534311.db2.gz JUAXQYRHRKGLDY-RDJZCZTQSA-N 1 0 317.429 3.096 10 0 DGAERO Brc1ccccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000355137999 433486753 /nfs/dbraw/zinc/48/67/53/433486753.db2.gz RQFLHFSLTQYXOC-UKRRQHHQSA-N 1 0 310.235 3.450 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3CC4(C3)CCCCC4)[C@H]2C1 ZINC000421351573 433492102 /nfs/dbraw/zinc/49/21/02/433492102.db2.gz CGIVWMSJCHJURZ-RYQLBKOJSA-N 1 0 304.478 3.336 10 0 DGAERO C[C@H]1CCN(C(=O)CSc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000261921526 290537644 /nfs/dbraw/zinc/53/76/44/290537644.db2.gz YVXGUJMQMVGGRB-NWDGAFQWSA-N 1 0 312.866 3.018 10 0 DGAERO CCc1ncc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)cn1 ZINC000414462303 433628109 /nfs/dbraw/zinc/62/81/09/433628109.db2.gz UFJKMBLKJBOEFS-INIZCTEOSA-N 1 0 303.356 3.484 10 0 DGAERO C[C@@H]1CCC[N@H+](CCCNc2c(F)c(F)nc(F)c2F)C1 ZINC000301621539 433642214 /nfs/dbraw/zinc/64/22/14/433642214.db2.gz XZSHPLIWXXKRSD-SECBINFHSA-N 1 0 305.319 3.172 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]Cc1ccnc(OC3CCCC3)c1)CCC2 ZINC000375859895 433595148 /nfs/dbraw/zinc/59/51/48/433595148.db2.gz GBBVLVBSHUCJQF-INIZCTEOSA-N 1 0 312.417 3.293 10 0 DGAERO CC[C@H](CSC)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000163868536 292872128 /nfs/dbraw/zinc/87/21/28/292872128.db2.gz IVHVBYWOILHITN-UONOGXRCSA-N 1 0 316.511 3.365 10 0 DGAERO COc1cc(C[NH2+]CC[C@H](C)F)cc(Br)c1O ZINC000339488609 433615887 /nfs/dbraw/zinc/61/58/87/433615887.db2.gz BHCYTSPSDRXADG-QMMMGPOBSA-N 1 0 306.175 3.001 10 0 DGAERO C[C@@H](F)CC[NH2+]Cc1cccc(I)c1 ZINC000339488663 433615963 /nfs/dbraw/zinc/61/59/63/433615963.db2.gz BJMKAGWINLAOFO-SECBINFHSA-N 1 0 307.150 3.129 10 0 DGAERO c1cc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)cs2)co1 ZINC000367055277 293017728 /nfs/dbraw/zinc/01/77/28/293017728.db2.gz OVOWEFXRSSFQGG-MRXNPFEDSA-N 1 0 304.415 3.406 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000367125062 293028367 /nfs/dbraw/zinc/02/83/67/293028367.db2.gz CGUMMUDDUSILAS-OFQRWUPVSA-N 1 0 309.475 3.275 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000367127345 293028472 /nfs/dbraw/zinc/02/84/72/293028472.db2.gz RXWJDBZJFKFRQZ-RYQLBKOJSA-N 1 0 303.446 3.213 10 0 DGAERO CCC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)C1CCCCC1 ZINC000367413906 293068829 /nfs/dbraw/zinc/06/88/29/293068829.db2.gz XLFPSQLLMAQDTJ-QZTJIDSGSA-N 1 0 322.493 3.105 10 0 DGAERO c1csc(C[N@@H+](CCn2cncn2)C2Cc3ccccc3C2)c1 ZINC000367464831 293076793 /nfs/dbraw/zinc/07/67/93/293076793.db2.gz VWUCWXJYBDABMR-UHFFFAOYSA-N 1 0 324.453 3.009 10 0 DGAERO Cc1cc(CC[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)on1 ZINC000367599650 293088894 /nfs/dbraw/zinc/08/88/94/293088894.db2.gz AWYGRAHJRPAQNW-UHFFFAOYSA-N 1 0 310.401 3.024 10 0 DGAERO Cc1nc2c(s1)[C@@H](N(C)C(=O)CC1CC[NH+](C)CC1)CCC2 ZINC000368221429 293105532 /nfs/dbraw/zinc/10/55/32/293105532.db2.gz HXJFFJCXYYSNQJ-HNNXBMFYSA-N 1 0 321.490 3.019 10 0 DGAERO COc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)CC2)c1 ZINC000370044714 293151885 /nfs/dbraw/zinc/15/18/85/293151885.db2.gz GZAGQFFZDBQEJD-HNNXBMFYSA-N 1 0 316.445 3.040 10 0 DGAERO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000370415092 293173083 /nfs/dbraw/zinc/17/30/83/293173083.db2.gz MRRBRXHPBPVOQJ-QGZVFWFLSA-N 1 0 303.381 3.084 10 0 DGAERO CC(C)c1nn(C)cc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000372976366 293246023 /nfs/dbraw/zinc/24/60/23/293246023.db2.gz DWHXKJOEOOSXBK-UHFFFAOYSA-N 1 0 313.449 3.015 10 0 DGAERO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000373475662 293279963 /nfs/dbraw/zinc/27/99/63/293279963.db2.gz SGFGBPCZQHCCFB-INIZCTEOSA-N 1 0 302.462 3.308 10 0 DGAERO Brc1ccc(NC2CC([NH+]3CCCCC3)C2)nc1 ZINC000373642077 293301212 /nfs/dbraw/zinc/30/12/12/293301212.db2.gz UBQAQRFNXRSFII-UHFFFAOYSA-N 1 0 310.239 3.273 10 0 DGAERO Cc1ccncc1C[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000373829282 293321121 /nfs/dbraw/zinc/32/11/21/293321121.db2.gz RNMHKZOONUUNTE-UHFFFAOYSA-N 1 0 313.420 3.283 10 0 DGAERO OC[C@H]1CCCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000374037334 293345368 /nfs/dbraw/zinc/34/53/68/293345368.db2.gz KIAZRUBIMMFEDZ-LBPRGKRZSA-N 1 0 316.214 3.183 10 0 DGAERO O=C(C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)NC1CCCCC1 ZINC000374305356 293381471 /nfs/dbraw/zinc/38/14/71/293381471.db2.gz IVTOXINLWKVAST-YJBOKZPZSA-N 1 0 315.461 3.146 10 0 DGAERO O=C(C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)NC1CCCCC1 ZINC000374305353 293381502 /nfs/dbraw/zinc/38/15/02/293381502.db2.gz IVTOXINLWKVAST-CRAIPNDOSA-N 1 0 315.461 3.146 10 0 DGAERO Brc1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cs1 ZINC000374387212 293393354 /nfs/dbraw/zinc/39/33/54/293393354.db2.gz AWZWZDWHMPXJPN-RYUDHWBXSA-N 1 0 316.264 3.369 10 0 DGAERO CCc1nc2sccc2c(N(C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000301829880 433744618 /nfs/dbraw/zinc/74/46/18/433744618.db2.gz HEMOJLNAVBUSQX-GFCCVEGCSA-N 1 0 304.463 3.174 10 0 DGAERO CCc1nc2sccc2c(N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)n1 ZINC000301828364 433745333 /nfs/dbraw/zinc/74/53/33/433745333.db2.gz GFHSPHQGIRBYGW-GXTWGEPZSA-N 1 0 318.490 3.420 10 0 DGAERO CC(C)(C)n1cc(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)cn1 ZINC000343341966 433798439 /nfs/dbraw/zinc/79/84/39/433798439.db2.gz QAVKWYOVPWSRBC-SJORKVTESA-N 1 0 317.408 3.085 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC(F)(F)F)CC1 ZINC000357005401 433815141 /nfs/dbraw/zinc/81/51/41/433815141.db2.gz BJUUXMSPKLMMBU-ZDUSSCGKSA-N 1 0 306.372 3.052 10 0 DGAERO c1cn(-c2ccccc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cn1 ZINC000375746397 293565036 /nfs/dbraw/zinc/56/50/36/293565036.db2.gz SZXTWKRBVMGXLZ-UHFFFAOYSA-N 1 0 319.368 3.145 10 0 DGAERO CC(C)Cc1nsc(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000302273568 433819776 /nfs/dbraw/zinc/81/97/76/433819776.db2.gz IDUCYDNWFPEBOO-UHFFFAOYSA-N 1 0 308.495 3.191 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc(C)nc2scc(C)c21 ZINC000302267163 433819975 /nfs/dbraw/zinc/81/99/75/433819975.db2.gz GGPNTEPSCVOQMA-CYBMUJFWSA-N 1 0 304.463 3.229 10 0 DGAERO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC12CCC2 ZINC000435618206 433877348 /nfs/dbraw/zinc/87/73/48/433877348.db2.gz RYRWCIOUWMXPDH-QGZVFWFLSA-N 1 0 313.445 3.162 10 0 DGAERO c1ccc2c(c1)C[C@H]1C[N@H+](CC[C@H]3CCCCO3)CCCN21 ZINC000351993318 433841140 /nfs/dbraw/zinc/84/11/40/433841140.db2.gz IDIXXPPSGFIGOS-ZWKOTPCHSA-N 1 0 300.446 3.083 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NCc1cc(Br)ccc1Cl ZINC000414937908 433925692 /nfs/dbraw/zinc/92/56/92/433925692.db2.gz CVHUPAXRIHVFQJ-RNCFNFMXSA-N 1 0 317.658 3.190 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)CSC2CC2)[C@H]1c1cccs1 ZINC000449935527 433880385 /nfs/dbraw/zinc/88/03/85/433880385.db2.gz RKVNRTGRAHHORS-WBMJQRKESA-N 1 0 324.515 3.143 10 0 DGAERO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1csc2ccccc12 ZINC000457054768 433955461 /nfs/dbraw/zinc/95/54/61/433955461.db2.gz QUJIUHXLIZGTBT-UHFFFAOYSA-N 1 0 316.470 3.434 10 0 DGAERO Cc1[nH+]ccc(NCc2ccc(Cn3ccnc3)cc2)c1Cl ZINC000357330046 433956506 /nfs/dbraw/zinc/95/65/06/433956506.db2.gz AXCLEYATQKLHAC-UHFFFAOYSA-N 1 0 312.804 3.322 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000304562359 434013176 /nfs/dbraw/zinc/01/31/76/434013176.db2.gz GYVJHXSMMDLXFL-MWLCHTKSSA-N 1 0 304.253 3.151 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2sccc2Br)C1 ZINC000304582871 434014557 /nfs/dbraw/zinc/01/45/57/434014557.db2.gz JZZPQUWULUISGD-ZJUUUORDSA-N 1 0 304.253 3.151 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000304531668 434014874 /nfs/dbraw/zinc/01/48/74/434014874.db2.gz BUUJEMXJRLJUDJ-MWLCHTKSSA-N 1 0 304.253 3.151 10 0 DGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393336179 293830521 /nfs/dbraw/zinc/83/05/21/293830521.db2.gz FPLBNRXNIAGJFC-AAEUAGOBSA-N 1 0 314.271 3.487 10 0 DGAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000398997696 293859550 /nfs/dbraw/zinc/85/95/50/293859550.db2.gz ADNOQYOKOTXFNK-ISVAXAHUSA-N 1 0 301.217 3.298 10 0 DGAERO [NH3+][C@@H](C(=O)NCc1ccccc1OCc1ccccc1)C1CCC1 ZINC000399238852 293861036 /nfs/dbraw/zinc/86/10/36/293861036.db2.gz SPEWTOJKORLKRX-LJQANCHMSA-N 1 0 324.424 3.009 10 0 DGAERO CCCCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400325529 293863447 /nfs/dbraw/zinc/86/34/47/293863447.db2.gz CHGLIPKKONNRBN-LSDHHAIUSA-N 1 0 314.470 3.038 10 0 DGAERO CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400488353 293864808 /nfs/dbraw/zinc/86/48/08/293864808.db2.gz YGTUTDUBNWLXEQ-LSDHHAIUSA-N 1 0 314.470 3.037 10 0 DGAERO CCOC(C)(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400460371 293865036 /nfs/dbraw/zinc/86/50/36/293865036.db2.gz RIANHZHMBLYGCN-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCS1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400736265 293865887 /nfs/dbraw/zinc/86/58/87/293865887.db2.gz RTUCPFLCGCRJNO-MJBXVCDLSA-N 1 0 314.495 3.117 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000340356607 434084774 /nfs/dbraw/zinc/08/47/74/434084774.db2.gz QMPISCYQHQLHND-MJGOQNOKSA-N 1 0 302.462 3.198 10 0 DGAERO CC(C)(C)OCC[NH2+]Cc1ccc(Br)cc1F ZINC000308723848 434090154 /nfs/dbraw/zinc/09/01/54/434090154.db2.gz FPASCCKGUMPECI-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CCN(Cc2ccccc2)CC1 ZINC000309682662 434098970 /nfs/dbraw/zinc/09/89/70/434098970.db2.gz AEUWDASGDYTQJG-QUCCMNQESA-N 1 0 316.489 3.134 10 0 DGAERO CCC1(CC)CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000309818513 434103031 /nfs/dbraw/zinc/10/30/31/434103031.db2.gz CVDXVZIHOWXDIE-GOSISDBHSA-N 1 0 305.462 3.466 10 0 DGAERO CC(C)[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H](C)O ZINC000353405024 434114415 /nfs/dbraw/zinc/11/44/15/434114415.db2.gz NZFSFOVCQOQGPF-JTQLQIEISA-N 1 0 304.203 3.179 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000294573281 434118506 /nfs/dbraw/zinc/11/85/06/434118506.db2.gz CANHMFJORJYXKV-UJNFCWOMSA-N 1 0 302.237 3.265 10 0 DGAERO O[C@]1(C(F)(F)F)CCC[N@H+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000312839761 434119891 /nfs/dbraw/zinc/11/98/91/434119891.db2.gz VLIDBBDDROGNTE-WDEREUQCSA-N 1 0 301.299 3.201 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000499866155 294097795 /nfs/dbraw/zinc/09/77/95/294097795.db2.gz XOZGLMJBFAPOMD-UYAOXDASSA-N 1 0 314.473 3.441 10 0 DGAERO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)cc1 ZINC000313310849 434127550 /nfs/dbraw/zinc/12/75/50/434127550.db2.gz XCTKBBRCTNJXEQ-LLVKDONJSA-N 1 0 308.223 3.076 10 0 DGAERO CO[C@H](C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309752561 294235608 /nfs/dbraw/zinc/23/56/08/294235608.db2.gz AEJPJSDYAXRKSD-ILXRZTDVSA-N 1 0 314.470 3.037 10 0 DGAERO Cn1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(C2CCCCC2)n1 ZINC000183081074 294239665 /nfs/dbraw/zinc/23/96/65/294239665.db2.gz DRAZIDGJLAXCCX-MCPYQZEQSA-N 1 0 317.477 3.061 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NCC2(C3CC3)CCC2)CC1 ZINC000506078878 294261569 /nfs/dbraw/zinc/26/15/69/294261569.db2.gz IYKIRQCKGAPMOL-UHFFFAOYSA-N 1 0 321.509 3.330 10 0 DGAERO CC[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)cc1 ZINC000313262535 434129267 /nfs/dbraw/zinc/12/92/67/434129267.db2.gz KQCHYWMNRFXIRO-HNNXBMFYSA-N 1 0 322.250 3.466 10 0 DGAERO CC[NH+](CC)CCNC(=O)NC1(c2ccccc2)CCCCC1 ZINC000506924514 294278132 /nfs/dbraw/zinc/27/81/32/294278132.db2.gz ZNBVEMMSMNSKSV-UHFFFAOYSA-N 1 0 317.477 3.487 10 0 DGAERO CO[C@H](C)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000467357209 294337672 /nfs/dbraw/zinc/33/76/72/294337672.db2.gz HLXCMZHSUFMIST-FRRDWIJNSA-N 1 0 312.841 3.379 10 0 DGAERO COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000509668900 294361017 /nfs/dbraw/zinc/36/10/17/294361017.db2.gz FDSLTTWOIQYDRJ-ZWKOTPCHSA-N 1 0 319.445 3.113 10 0 DGAERO CCCN(CC[NH+]1CCCCC1)C(=O)N1CCc2ccccc21 ZINC000510467460 294384441 /nfs/dbraw/zinc/38/44/41/294384441.db2.gz MMYDXRHYOWULGY-UHFFFAOYSA-N 1 0 315.461 3.367 10 0 DGAERO c1ccc(-c2ccc(NCC[NH2+][C@H]3CC[C@@H]3C3CCC3)nn2)cc1 ZINC000510703000 294390005 /nfs/dbraw/zinc/39/00/05/294390005.db2.gz NUWXZWLRNCRCQU-MJGOQNOKSA-N 1 0 322.456 3.146 10 0 DGAERO FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000510961784 294396963 /nfs/dbraw/zinc/39/69/63/294396963.db2.gz NNPMAYYGINKQGN-LSDHHAIUSA-N 1 0 304.400 3.429 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](CO)CC1CCCC1 ZINC000510981919 294398209 /nfs/dbraw/zinc/39/82/09/294398209.db2.gz SRKHKALMRNUALV-MOPGFXCFSA-N 1 0 323.452 3.304 10 0 DGAERO C[C@@H]([NH2+]CCCc1cncn1C)c1cccc(Br)c1 ZINC000314078718 434135003 /nfs/dbraw/zinc/13/50/03/434135003.db2.gz DCHZXVMZVLOTMK-GFCCVEGCSA-N 1 0 322.250 3.466 10 0 DGAERO C[C@H]([NH2+]CCCc1cncn1C)c1cccc(Br)c1 ZINC000314078719 434138513 /nfs/dbraw/zinc/13/85/13/434138513.db2.gz DCHZXVMZVLOTMK-LBPRGKRZSA-N 1 0 322.250 3.466 10 0 DGAERO Cc1ccc(Br)cc1C[N@@H+](C[C@H](C)O)C(C)C ZINC000450385772 434144657 /nfs/dbraw/zinc/14/46/57/434144657.db2.gz DJVSNDNPHZVFDD-LBPRGKRZSA-N 1 0 300.240 3.349 10 0 DGAERO c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cc(-n4ccnc4)cs3)C2)n1 ZINC000346180277 434176735 /nfs/dbraw/zinc/17/67/35/434176735.db2.gz QAPDRGVRBPIUQX-CYBMUJFWSA-N 1 0 313.430 3.037 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000357801737 434192928 /nfs/dbraw/zinc/19/29/28/434192928.db2.gz XRZRCHMUOHFACC-ZBFHGGJFSA-N 1 0 306.450 3.034 10 0 DGAERO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc2c(s1)CCC2 ZINC000437075156 434211313 /nfs/dbraw/zinc/21/13/13/434211313.db2.gz RPMPCPVTBDROGD-BBRMVZONSA-N 1 0 301.455 3.491 10 0 DGAERO c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000378635757 434245511 /nfs/dbraw/zinc/24/55/11/434245511.db2.gz VSCJGQDEHFKAPL-SFHVURJKSA-N 1 0 318.424 3.332 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000357931009 434250116 /nfs/dbraw/zinc/25/01/16/434250116.db2.gz OVOUAWUTDOEBFD-MRXNPFEDSA-N 1 0 323.868 3.215 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000437411566 434259199 /nfs/dbraw/zinc/25/91/99/434259199.db2.gz WHVMQXHYYPZKMM-CKEIUWERSA-N 1 0 304.409 3.062 10 0 DGAERO CCn1cncc1C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379618512 434261079 /nfs/dbraw/zinc/26/10/79/434261079.db2.gz ACMXXJCBOADOGR-GOSISDBHSA-N 1 0 312.461 3.047 10 0 DGAERO C[C@H]1C[C@@H]1[NH2+]Cc1c(F)ccc(I)c1F ZINC000380172707 434266094 /nfs/dbraw/zinc/26/60/94/434266094.db2.gz DUUYURMYRPIKOX-WKEGUHRASA-N 1 0 323.124 3.067 10 0 DGAERO CN1CCC[C@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000383831705 434288019 /nfs/dbraw/zinc/28/80/19/434288019.db2.gz SONAEFVJXZKBON-ONGXEEELSA-N 1 0 315.280 3.182 10 0 DGAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000328652222 434297724 /nfs/dbraw/zinc/29/77/24/434297724.db2.gz WFWWBXDOBCUMTJ-LISAXSMJSA-N 1 0 303.450 3.056 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)ccc1Br ZINC000386293959 434310187 /nfs/dbraw/zinc/31/01/87/434310187.db2.gz QCAHUUXYRPNVRV-HZMBPMFUSA-N 1 0 316.214 3.181 10 0 DGAERO C[NH+](C)CC(C)(C)NC(=O)NCCc1cccc2ccccc21 ZINC000457745630 434325980 /nfs/dbraw/zinc/32/59/80/434325980.db2.gz SGORZFRHTATWAD-UHFFFAOYSA-N 1 0 313.445 3.022 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1 ZINC000366093873 434332423 /nfs/dbraw/zinc/33/24/23/434332423.db2.gz IBJKUHWXOLWWSB-QGZVFWFLSA-N 1 0 315.417 3.083 10 0 DGAERO c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCCNCc1cccnc1 ZINC000423191578 434276841 /nfs/dbraw/zinc/27/68/41/434276841.db2.gz SYMQFBWCWXOVLI-IBGZPJMESA-N 1 0 310.445 3.098 10 0 DGAERO CCOc1ccc(C[NH2+]CCN2CC=C(C)CC2)cc1OCC ZINC000358175223 434364031 /nfs/dbraw/zinc/36/40/31/434364031.db2.gz ZXBFGDMVDVTYJK-UHFFFAOYSA-N 1 0 318.461 3.226 10 0 DGAERO CC(C)C[C@H](C)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000358185215 434375148 /nfs/dbraw/zinc/37/51/48/434375148.db2.gz GRKXWMVYUSOBLF-DZOHQFGASA-N 1 0 300.446 3.168 10 0 DGAERO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393336180 434388330 /nfs/dbraw/zinc/38/83/30/434388330.db2.gz FPLBNRXNIAGJFC-DGCLKSJQSA-N 1 0 314.271 3.487 10 0 DGAERO OC[C@@H]([NH2+]Cc1ccsc1Br)C1CCCC1 ZINC000388728915 434334683 /nfs/dbraw/zinc/33/46/83/434334683.db2.gz CNHRMUFATXICMN-LLVKDONJSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000389076293 434341260 /nfs/dbraw/zinc/34/12/60/434341260.db2.gz ZABKLOHHFPVWOR-SUZMYJTESA-N 1 0 304.217 3.121 10 0 DGAERO CO[C@](C)(C[NH2+]Cc1ccsc1Br)C1CC1 ZINC000388888527 434342623 /nfs/dbraw/zinc/34/26/23/434342623.db2.gz MERAJWJWTHYSDY-GFCCVEGCSA-N 1 0 304.253 3.415 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000389844648 434353002 /nfs/dbraw/zinc/35/30/02/434353002.db2.gz PYZDJVQDCOZNLH-QPUJVOFHSA-N 1 0 302.205 3.113 10 0 DGAERO COc1cc(C[NH2+]CCN2CC=C(C)CC2)ccc1OC(C)C ZINC000358158493 434356529 /nfs/dbraw/zinc/35/65/29/434356529.db2.gz AQTSIMSYLCWKLD-UHFFFAOYSA-N 1 0 318.461 3.224 10 0 DGAERO CC1(C)C[C@@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CO1 ZINC000397951841 434445896 /nfs/dbraw/zinc/44/58/96/434445896.db2.gz PQHJMUBEPODQEK-MJGOQNOKSA-N 1 0 302.462 3.198 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@@H]2CC3CCC2CC3)cs1)C1CC1 ZINC000353812215 434446656 /nfs/dbraw/zinc/44/66/56/434446656.db2.gz XFGJRDHSGGHSSY-SEEARECTSA-N 1 0 319.474 3.327 10 0 DGAERO c1ccc(OCCCC[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000438072114 434395686 /nfs/dbraw/zinc/39/56/86/434395686.db2.gz AKLUKXABQFNHQE-QGZVFWFLSA-N 1 0 313.397 3.275 10 0 DGAERO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cccc(Br)c1 ZINC000394363817 434402470 /nfs/dbraw/zinc/40/24/70/434402470.db2.gz JUYYLLFHUQWTJW-RHMLRGBNSA-N 1 0 322.246 3.304 10 0 DGAERO c1cnn(-c2ccc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)cc2)c1 ZINC000353770346 434418460 /nfs/dbraw/zinc/41/84/60/434418460.db2.gz UASYQIHEFPSJCJ-IBGZPJMESA-N 1 0 311.429 3.265 10 0 DGAERO Brc1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc2c1OCO2 ZINC000397651565 434441270 /nfs/dbraw/zinc/44/12/70/434441270.db2.gz FKJZZEVJEVHMFN-JGPRNRPPSA-N 1 0 310.191 3.066 10 0 DGAERO Brc1cc2c(s1)CC[C@H]2[NH2+]CC1=CCOCC1 ZINC000397765864 434441688 /nfs/dbraw/zinc/44/16/88/434441688.db2.gz YQNINOQHXJCYSV-LLVKDONJSA-N 1 0 314.248 3.434 10 0 DGAERO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000450887703 434462757 /nfs/dbraw/zinc/46/27/57/434462757.db2.gz JIEBSEJLXGRJAR-AYRXBEOTSA-N 1 0 301.352 3.424 10 0 DGAERO c1cn2c(n1)CC[C@@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000360023378 434482222 /nfs/dbraw/zinc/48/22/22/434482222.db2.gz ZAVQCCQXBSYOII-AEFFLSMTSA-N 1 0 323.440 3.190 10 0 DGAERO C[C@@H](NCc1ccccc1OCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400748900 434489275 /nfs/dbraw/zinc/48/92/75/434489275.db2.gz UZVVWCHAMTVYTI-VQIMIIECSA-N 1 0 310.441 3.496 10 0 DGAERO CC[C@H](CSC)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400769864 434489746 /nfs/dbraw/zinc/48/97/46/434489746.db2.gz ZWYYWJKHESXJKR-HZSPNIEDSA-N 1 0 316.511 3.363 10 0 DGAERO C[C@H]([NH2+]CCc1ccco1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400793022 434492343 /nfs/dbraw/zinc/49/23/43/434492343.db2.gz SIKRCQATILVLMD-KBPBESRZSA-N 1 0 308.422 3.057 10 0 DGAERO COC[C@@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)C(C)C ZINC000397972190 434450044 /nfs/dbraw/zinc/45/00/44/434450044.db2.gz BVZHTTGDEGJTAA-RTBURBONSA-N 1 0 304.478 3.302 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)[C@H]1CCCO1 ZINC000397979596 434450704 /nfs/dbraw/zinc/45/07/04/434450704.db2.gz GBOZWJZJFXIMSK-QXAKKESOSA-N 1 0 302.462 3.198 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000438567666 434513473 /nfs/dbraw/zinc/51/34/73/434513473.db2.gz FUYJXLHYLCGXKZ-UHFFFAOYSA-N 1 0 304.434 3.125 10 0 DGAERO Clc1ccc(Cl)c(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000404614664 434516345 /nfs/dbraw/zinc/51/63/45/434516345.db2.gz JFABJXNIDHNDSB-JTQLQIEISA-N 1 0 311.216 3.100 10 0 DGAERO CC1CCC([NH+]2CCN(CCOc3ccc(F)cc3)CC2)CC1 ZINC000523790164 294960727 /nfs/dbraw/zinc/96/07/27/294960727.db2.gz ZSVIMAPEPNFYOX-UHFFFAOYSA-N 1 0 320.452 3.401 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000451040100 434543944 /nfs/dbraw/zinc/54/39/44/434543944.db2.gz FOCHLLNNEGQLQA-LSDHHAIUSA-N 1 0 316.228 3.374 10 0 DGAERO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H](O)CC(F)(F)F)c1 ZINC000526058489 295054547 /nfs/dbraw/zinc/05/45/47/295054547.db2.gz DMWLWLSDKGKUIW-KGLIPLIRSA-N 1 0 317.351 3.015 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNCc2ccsc2Br)C1 ZINC000527646791 295109079 /nfs/dbraw/zinc/10/90/79/295109079.db2.gz YSMYPEXBNPXZFF-NSHDSACASA-N 1 0 317.296 3.332 10 0 DGAERO Brc1sccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527735450 295122913 /nfs/dbraw/zinc/12/29/13/295122913.db2.gz COWAILZCBISPHE-JTQLQIEISA-N 1 0 304.253 3.417 10 0 DGAERO c1cn(-c2ccccc2)c(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000527751249 295125502 /nfs/dbraw/zinc/12/55/02/295125502.db2.gz FWNCRIPYRJMLKD-IBGZPJMESA-N 1 0 324.472 3.369 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)[C@H](C)O1 ZINC000527790772 295130921 /nfs/dbraw/zinc/13/09/21/295130921.db2.gz KNRPHROGOUPYDT-VHSKPIJISA-N 1 0 320.177 3.383 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cscc1Br ZINC000527802492 295133217 /nfs/dbraw/zinc/13/32/17/295133217.db2.gz AGBFEAGNIOJWSA-UOKLYIGXSA-N 1 0 304.253 3.412 10 0 DGAERO c1cn(Cc2ccccc2)c(CNC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000527807255 295134166 /nfs/dbraw/zinc/13/41/66/295134166.db2.gz NGRBEYHPYYUPSB-IBGZPJMESA-N 1 0 324.472 3.038 10 0 DGAERO C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CCN1C1CCCC1 ZINC000527812621 295134970 /nfs/dbraw/zinc/13/49/70/295134970.db2.gz VKYBKHRMUSTLTR-VXNCWWDNSA-N 1 0 306.494 3.188 10 0 DGAERO c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]CC1COC1 ZINC000527817242 295136008 /nfs/dbraw/zinc/13/60/08/295136008.db2.gz FGPHGSAWNKZOTJ-UHFFFAOYSA-N 1 0 311.429 3.401 10 0 DGAERO CCCC[C@@H]([NH2+]Cc1cnnn1CC)c1ccc(OC)cc1 ZINC000459397145 434575872 /nfs/dbraw/zinc/57/58/72/434575872.db2.gz RCSLDDXYQLWMFG-QGZVFWFLSA-N 1 0 302.422 3.328 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nccc3ccccc32)[C@H]1SC ZINC000459397337 434576124 /nfs/dbraw/zinc/57/61/24/434576124.db2.gz HIPUMDUNSQXMHW-DJIMGWMZSA-N 1 0 302.443 3.233 10 0 DGAERO C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCN1C1CCCC1 ZINC000528002794 295164586 /nfs/dbraw/zinc/16/45/86/295164586.db2.gz QXVCNDNPMIJRKR-OWYHZJEWSA-N 1 0 306.494 3.188 10 0 DGAERO [NH3+]C1(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CCCC1 ZINC000178177390 295203423 /nfs/dbraw/zinc/20/34/23/295203423.db2.gz VRCXRCTZVNJTHT-OAHLLOKOSA-N 1 0 314.429 3.211 10 0 DGAERO C[C@H]1[C@H](O)CCCN1Cc1ccc(Br)c(F)c1F ZINC000528520236 295222448 /nfs/dbraw/zinc/22/24/48/295222448.db2.gz NWLUGPCUFISZSS-GZMMTYOYSA-N 1 0 320.177 3.073 10 0 DGAERO CCn1nncc1C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000459530928 434595615 /nfs/dbraw/zinc/59/56/15/434595615.db2.gz MOCUJLQDGVXMPR-AWEZNQCLSA-N 1 0 323.400 3.336 10 0 DGAERO CN(C)C(=O)C1([NH2+]Cc2ccc(C3CC3)cc2)CCCCC1 ZINC000459582396 434617823 /nfs/dbraw/zinc/61/78/23/434617823.db2.gz RAEKIGPVTHWMSV-UHFFFAOYSA-N 1 0 300.446 3.445 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000459608420 434630960 /nfs/dbraw/zinc/63/09/60/434630960.db2.gz AEFXNNWHRRGQAA-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO O[C@@H]1[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)CCC12CCOCC2 ZINC000459537361 434599738 /nfs/dbraw/zinc/59/97/38/434599738.db2.gz HXJKOAZHBOGMNI-RTBURBONSA-N 1 0 315.457 3.221 10 0 DGAERO Cc1ccccc1CCC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000440323363 434693151 /nfs/dbraw/zinc/69/31/51/434693151.db2.gz HFBWTGQZQCMICR-FQEVSTJZSA-N 1 0 322.452 3.491 10 0 DGAERO C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(I)cc1 ZINC000424326789 434696147 /nfs/dbraw/zinc/69/61/47/434696147.db2.gz PCBDHGBBQOFDDQ-CABZTGNLSA-N 1 0 313.182 3.494 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCCS(C)(=O)=O ZINC000424175579 434646480 /nfs/dbraw/zinc/64/64/80/434646480.db2.gz VHYFNRVPHWIZLA-QBFSEMIESA-N 1 0 315.866 3.158 10 0 DGAERO Brc1ccc(-n2cc(C[NH2+][C@@H]3CC34CC4)cn2)cc1 ZINC000424185504 434651284 /nfs/dbraw/zinc/65/12/84/434651284.db2.gz PSULIYVROQKHET-CQSZACIVSA-N 1 0 318.218 3.277 10 0 DGAERO O[C@@H](CC[NH2+]Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000349311685 434669185 /nfs/dbraw/zinc/66/91/85/434669185.db2.gz DBILLNLDCQEQDG-JTQLQIEISA-N 1 0 302.123 3.396 10 0 DGAERO c1ncc(CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)s1 ZINC000411225909 434747932 /nfs/dbraw/zinc/74/79/32/434747932.db2.gz NLOXXFIJUAZOSL-CQSZACIVSA-N 1 0 302.399 3.251 10 0 DGAERO OC[C@]1([NH2+]CCOc2ccc(F)cc2)CCCc2ccccc21 ZINC000440820322 434748222 /nfs/dbraw/zinc/74/82/22/434748222.db2.gz YMJCVYQHZWTRNT-LJQANCHMSA-N 1 0 315.388 3.018 10 0 DGAERO O=C1C[C@@H](c2ccccc2)[N@H+](CCCc2ccsc2)CCN1 ZINC000360919002 434731128 /nfs/dbraw/zinc/73/11/28/434731128.db2.gz NJVGEUWVXHJAEP-KRWDZBQOSA-N 1 0 314.454 3.244 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000262129832 297104959 /nfs/dbraw/zinc/10/49/59/297104959.db2.gz LJXGAGXEBAYSCU-NBCURDFTSA-N 1 0 304.478 3.097 10 0 DGAERO c1ccc(OCCOCC[NH+]2CCC(OC3CCC3)CC2)cc1 ZINC000419279809 434764415 /nfs/dbraw/zinc/76/44/15/434764415.db2.gz DHJNVXMNXVDZML-UHFFFAOYSA-N 1 0 319.445 3.116 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](CCOCC3CCC3)C2)n2c1CCCC2 ZINC000419286340 434764647 /nfs/dbraw/zinc/76/46/47/434764647.db2.gz FIAOSHQQEGHLLM-QGZVFWFLSA-N 1 0 317.477 3.216 10 0 DGAERO COc1cc(C)c([C@@H](C)[NH2+]CCOCC2CCC2)cc1OC ZINC000361039983 434774119 /nfs/dbraw/zinc/77/41/19/434774119.db2.gz GEXFPSBCGACWRJ-CQSZACIVSA-N 1 0 307.434 3.480 10 0 DGAERO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000453052273 434784978 /nfs/dbraw/zinc/78/49/78/434784978.db2.gz CMJKDJHBQLKBIW-HNNXBMFYSA-N 1 0 312.413 3.354 10 0 DGAERO COC1([C@H](C)[NH2+]CCCCOc2ccccc2)CCOCC1 ZINC000453065029 434787876 /nfs/dbraw/zinc/78/78/76/434787876.db2.gz HMHGINISYQWFJC-INIZCTEOSA-N 1 0 307.434 3.019 10 0 DGAERO COC1([C@@H](C)[NH2+]CCCCOc2ccccc2)CCOCC1 ZINC000453065030 434788154 /nfs/dbraw/zinc/78/81/54/434788154.db2.gz HMHGINISYQWFJC-MRXNPFEDSA-N 1 0 307.434 3.019 10 0 DGAERO COC1([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CC2)CCOCC1 ZINC000453065586 434788356 /nfs/dbraw/zinc/78/83/56/434788356.db2.gz QDZNJAZEGLIVEG-AWEZNQCLSA-N 1 0 307.409 3.031 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@H](Nc2ccccc2)C(C)C)CCOCC1 ZINC000453105582 434803199 /nfs/dbraw/zinc/80/31/99/434803199.db2.gz XCZXLCXBVLMOLS-WMZOPIPTSA-N 1 0 320.477 3.297 10 0 DGAERO c1cc(CN2CCO[C@@H](C3CC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000411566162 434804158 /nfs/dbraw/zinc/80/41/58/434804158.db2.gz WJYXSUQMLRXLNJ-HXUWFJFHSA-N 1 0 314.473 3.283 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cs1 ZINC000361084348 434792226 /nfs/dbraw/zinc/79/22/26/434792226.db2.gz CDUJTQJLNHRMAI-OAHLLOKOSA-N 1 0 316.474 3.487 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@@H](C)Sc2ccccc2)CCOCC1 ZINC000453121808 434807301 /nfs/dbraw/zinc/80/73/01/434807301.db2.gz PIYVXNWBSSDKHX-HUUCEWRRSA-N 1 0 309.475 3.341 10 0 DGAERO CCC(CC)c1cc(C[NH2+][C@H](C)C2(OC)CCOCC2)on1 ZINC000453126728 434809359 /nfs/dbraw/zinc/80/93/59/434809359.db2.gz YNQJLSHFTYARCT-CYBMUJFWSA-N 1 0 310.438 3.252 10 0 DGAERO CC[C@H](C[NH2+][C@@H](C)C1(OC)CCOCC1)Oc1ccccc1C ZINC000453141244 434812903 /nfs/dbraw/zinc/81/29/03/434812903.db2.gz BZFMTQIDGCGSJJ-DLBZAZTESA-N 1 0 321.461 3.326 10 0 DGAERO CCCOc1cccc(CC[NH2+][C@@H](C)C2(OC)CCOCC2)c1 ZINC000453160045 434819264 /nfs/dbraw/zinc/81/92/64/434819264.db2.gz MRWYWJGPXDVIIY-INIZCTEOSA-N 1 0 321.461 3.192 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2cccc(CSC)c2)CCOCC1 ZINC000453217114 434831841 /nfs/dbraw/zinc/83/18/41/434831841.db2.gz JPCVIZZOMHMTPQ-CQSZACIVSA-N 1 0 309.475 3.223 10 0 DGAERO CC[N@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCOC1 ZINC000361238565 434837764 /nfs/dbraw/zinc/83/77/64/434837764.db2.gz UUZXTKJZJSWUOA-LLVKDONJSA-N 1 0 302.187 3.199 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2cc(C3CC3)ccc2F)CCOCC1 ZINC000453259830 434842879 /nfs/dbraw/zinc/84/28/79/434842879.db2.gz PGHXLXODGKODHS-CYBMUJFWSA-N 1 0 307.409 3.377 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CCCOC3)CC23CC3)cc1 ZINC000573205995 434880474 /nfs/dbraw/zinc/88/04/74/434880474.db2.gz MUWIZEWRAUNQQF-OALUTQOASA-N 1 0 314.473 3.200 10 0 DGAERO c1ccc(CC2CC[NH+](CCCCNc3cccnn3)CC2)cc1 ZINC000553390369 434890051 /nfs/dbraw/zinc/89/00/51/434890051.db2.gz WWSMNRBFAKMUKR-UHFFFAOYSA-N 1 0 324.472 3.045 10 0 DGAERO C[C@@H]([NH2+]CCOCC1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573407626 434896214 /nfs/dbraw/zinc/89/62/14/434896214.db2.gz WGRPGRPLOQMUAQ-YLJYHZDGSA-N 1 0 316.489 3.303 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](C)Cc3ccccc3)[C@H]2C1 ZINC000521942448 434901940 /nfs/dbraw/zinc/90/19/40/434901940.db2.gz MOHACGWWXLXEEV-TTYHFUOFSA-N 1 0 314.473 3.102 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000522185868 434916602 /nfs/dbraw/zinc/91/66/02/434916602.db2.gz DEZSDZFQFJTBLZ-NVXWUHKLSA-N 1 0 320.477 3.424 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CC(C)(C)[C@H]1C1CC1)CC2 ZINC000460972213 434866559 /nfs/dbraw/zinc/86/65/59/434866559.db2.gz RIERONRXDSFBOZ-XJKSGUPXSA-N 1 0 315.461 3.285 10 0 DGAERO Cc1ccc(-c2noc(C[N@@H+]([C@H](C)CO)C3CCCC3)n2)cc1 ZINC000554262458 434918822 /nfs/dbraw/zinc/91/88/22/434918822.db2.gz CNGGCMWVFJXRJY-CQSZACIVSA-N 1 0 315.417 3.170 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000521146908 434871230 /nfs/dbraw/zinc/87/12/30/434871230.db2.gz ZWHYJTSGSMNWFF-FGTMMUONSA-N 1 0 300.446 3.313 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2OC(C)(C)C)C1 ZINC000522460534 434924472 /nfs/dbraw/zinc/92/44/72/434924472.db2.gz JVAKTMGHNZKYJN-AWEZNQCLSA-N 1 0 319.449 3.327 10 0 DGAERO CC(C)[C@H](CO)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000554377384 434925351 /nfs/dbraw/zinc/92/53/51/434925351.db2.gz NQKLCARDOYKLFM-WMLDXEAASA-N 1 0 321.852 3.017 10 0 DGAERO c1nc(CN2CC[C@]3(C2)CCC[NH2+]C3)sc1-c1ccccc1 ZINC000573802283 434926419 /nfs/dbraw/zinc/92/64/19/434926419.db2.gz GYQVYHMPHMLUDU-GOSISDBHSA-N 1 0 313.470 3.386 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)N(C)C1CC1 ZINC000462785101 434927390 /nfs/dbraw/zinc/92/73/90/434927390.db2.gz KDENAQMGRBLWQL-AWEZNQCLSA-N 1 0 318.461 3.214 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)Cc1ccccc1 ZINC000522676588 434927677 /nfs/dbraw/zinc/92/76/77/434927677.db2.gz HCFTVPUCPHLOCH-QGZVFWFLSA-N 1 0 302.462 3.246 10 0 DGAERO C[C@H](CO)CCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462798544 434929479 /nfs/dbraw/zinc/92/94/79/434929479.db2.gz PRBPUARHGJZQCE-AWEZNQCLSA-N 1 0 307.434 3.140 10 0 DGAERO c1c(CC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)nc2ccccn12 ZINC000462799567 434929941 /nfs/dbraw/zinc/92/99/41/434929941.db2.gz ZNUAMDKIERUUBK-IXDOHACOSA-N 1 0 313.445 3.062 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(Cl)c(C)c1 ZINC000464640487 434993736 /nfs/dbraw/zinc/99/37/36/434993736.db2.gz TZWXKKDOIWYSEA-INIZCTEOSA-N 1 0 308.853 3.182 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000556518631 435010011 /nfs/dbraw/zinc/01/00/11/435010011.db2.gz IWUAKUDPCYSMPN-OALUTQOASA-N 1 0 300.446 3.083 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000466407198 435075758 /nfs/dbraw/zinc/07/57/58/435075758.db2.gz AIDBTZDDWJHHLR-WOCWXWTJSA-N 1 0 316.489 3.300 10 0 DGAERO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000531288834 435083652 /nfs/dbraw/zinc/08/36/52/435083652.db2.gz ZLOIKIFGJWQZNH-HALDLXJZSA-N 1 0 302.418 3.132 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCC[C@H](C)C2)CC1 ZINC000465745994 435041021 /nfs/dbraw/zinc/04/10/21/435041021.db2.gz FESNOASUMRAGEW-RDJZCZTQSA-N 1 0 309.498 3.234 10 0 DGAERO CCC(CC)N(C(=O)NCCC1CC[NH+](CC)CC1)C1CC1 ZINC000531394393 435090318 /nfs/dbraw/zinc/09/03/18/435090318.db2.gz VNOAFIOWSLTYEB-UHFFFAOYSA-N 1 0 309.498 3.471 10 0 DGAERO c1ccc(COC2CC([NH2+][C@@H]3COc4ccccc4C3)C2)cc1 ZINC000557337942 435051006 /nfs/dbraw/zinc/05/10/06/435051006.db2.gz FYDDORBCRMKWIM-XBMUEBEBSA-N 1 0 309.409 3.328 10 0 DGAERO CCOc1cccc(CC[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000560076771 435148075 /nfs/dbraw/zinc/14/80/75/435148075.db2.gz CSBDRWWMCAIFQR-UHFFFAOYSA-N 1 0 309.413 3.374 10 0 DGAERO COc1ccccc1/C=C\C[NH2+][C@H](CO)Cc1ccccc1C ZINC000466905710 435096955 /nfs/dbraw/zinc/09/69/55/435096955.db2.gz VGUCFPZERFIJDW-ABMFHFBKSA-N 1 0 311.425 3.210 10 0 DGAERO CCOc1cc2[nH+]ccc(N[C@@H](C)[C@H](C)OC)c2cc1OCC ZINC000467009139 435105128 /nfs/dbraw/zinc/10/51/28/435105128.db2.gz JYNCCXJVJUKSDK-STQMWFEESA-N 1 0 318.417 3.289 10 0 DGAERO CCc1ccc([C@@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[NH+](C)C)cc1 ZINC000467242723 435112428 /nfs/dbraw/zinc/11/24/28/435112428.db2.gz NIHKNSCWJQZIAO-HCXYKTFWSA-N 1 0 314.473 3.404 10 0 DGAERO Fc1cc(C[NH2+][C@H]2CCCC(F)(F)C2)ccc1-n1cncn1 ZINC000531759786 435116442 /nfs/dbraw/zinc/11/64/42/435116442.db2.gz NTZHVLUNLVHDFL-LBPRGKRZSA-N 1 0 310.323 3.074 10 0 DGAERO C[C@@]1(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1(Cl)Cl ZINC000107527958 297858442 /nfs/dbraw/zinc/85/84/42/297858442.db2.gz ONYZBCKOYZMBCH-OCCSQVGLSA-N 1 0 319.276 3.047 10 0 DGAERO Cc1ncsc1CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531868934 435123821 /nfs/dbraw/zinc/12/38/21/435123821.db2.gz SJTAERPOMHSERU-AWEZNQCLSA-N 1 0 324.490 3.438 10 0 DGAERO c1ccc2nc(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)ccc2c1 ZINC000531911760 435127790 /nfs/dbraw/zinc/12/77/90/435127790.db2.gz GDAVYLTULOBTFR-ROUUACIJSA-N 1 0 311.429 3.290 10 0 DGAERO CC[C@@H](Cc1ccccc1)[N@H+](CC)CC(=O)N(C)CC1CC1 ZINC000468958458 435129132 /nfs/dbraw/zinc/12/91/32/435129132.db2.gz LAVIZQVKCSFHOW-SFHVURJKSA-N 1 0 302.462 3.198 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2CC)C1 ZINC000475693180 435207954 /nfs/dbraw/zinc/20/79/54/435207954.db2.gz JJAFDPZZABIYSV-CQSZACIVSA-N 1 0 308.853 3.393 10 0 DGAERO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CC1 ZINC000532571551 435178652 /nfs/dbraw/zinc/17/86/52/435178652.db2.gz YDDMSQOBHWIAAK-QWHCGFSZSA-N 1 0 318.417 3.253 10 0 DGAERO C(C[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1)[C@H]1CCOC1 ZINC000561972056 435244463 /nfs/dbraw/zinc/24/44/63/435244463.db2.gz ZYBFIEGRPRKMSX-ZFWWWQNUSA-N 1 0 305.422 3.291 10 0 DGAERO C[C@H](CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)[NH+](C)C ZINC000479208887 435322463 /nfs/dbraw/zinc/32/24/63/435322463.db2.gz LOBIHRQCQMVQGC-SECBINFHSA-N 1 0 323.487 3.318 10 0 DGAERO COc1ccccc1/C=C\C[NH2+]CCc1nn(C)c2ccccc12 ZINC000479398834 435330031 /nfs/dbraw/zinc/33/00/31/435330031.db2.gz ZBNNDABJZWAIHL-CLFYSBASSA-N 1 0 321.424 3.427 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000479608224 435342219 /nfs/dbraw/zinc/34/22/19/435342219.db2.gz NNNSNGATELTZLA-VKAVYKQESA-N 1 0 323.440 3.111 10 0 DGAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000643590021 435351086 /nfs/dbraw/zinc/35/10/86/435351086.db2.gz PJZGNFLRJUHWJG-XCBNKYQSSA-N 1 0 312.797 3.256 10 0 DGAERO Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)N[C@@H](C)C[NH+](C)C)o1 ZINC000512435813 435356384 /nfs/dbraw/zinc/35/63/84/435356384.db2.gz CTDCHWQZWBRKCH-VNHYZAJKSA-N 1 0 307.438 3.021 10 0 DGAERO Cc1ncsc1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000535850015 435359981 /nfs/dbraw/zinc/35/99/81/435359981.db2.gz CPKDCDAJPYKADP-ZDUSSCGKSA-N 1 0 310.463 3.395 10 0 DGAERO Cc1cc(CC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)on1 ZINC000512971603 435374221 /nfs/dbraw/zinc/37/42/21/435374221.db2.gz JBFDAMDIJTUCDH-UHFFFAOYSA-N 1 0 316.401 3.271 10 0 DGAERO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC(=O)NC1CCCCC1 ZINC000513712632 435399756 /nfs/dbraw/zinc/39/97/56/435399756.db2.gz DTAZAOLUVQXSCK-ZDUSSCGKSA-N 1 0 324.415 3.324 10 0 DGAERO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2C[C@H](C)CC2(C)C)cc1 ZINC000537624025 435455595 /nfs/dbraw/zinc/45/55/95/435455595.db2.gz GJZKVLFTDRWRNT-ZIAGYGMSSA-N 1 0 305.418 3.247 10 0 DGAERO C1=CC[C@]2(CC1)CCC[N@@H+](Cc1cnc(N3CCCC3)nc1)C2 ZINC000537625261 435457029 /nfs/dbraw/zinc/45/70/29/435457029.db2.gz VZVHORRKTUWYRT-IBGZPJMESA-N 1 0 312.461 3.399 10 0 DGAERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000537724802 435465947 /nfs/dbraw/zinc/46/59/47/435465947.db2.gz FUPMRSFTVWOZJF-OAHLLOKOSA-N 1 0 305.418 3.336 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)CCC[NH+](C)C ZINC000537215023 435429564 /nfs/dbraw/zinc/42/95/64/435429564.db2.gz KROLASFKGLQILY-QGZVFWFLSA-N 1 0 320.477 3.378 10 0 DGAERO Cc1c(C(=O)N(C)CCC[NH+](C)C)cccc1-c1ccccn1 ZINC000537213605 435430428 /nfs/dbraw/zinc/43/04/28/435430428.db2.gz HZAUGQGMWDPOJJ-UHFFFAOYSA-N 1 0 311.429 3.081 10 0 DGAERO O=C(NCCCC1CC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000568469199 435438051 /nfs/dbraw/zinc/43/80/51/435438051.db2.gz AEKQNQKWSDMAQM-KRWDZBQOSA-N 1 0 307.482 3.273 10 0 DGAERO CC(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000483261369 435505957 /nfs/dbraw/zinc/50/59/57/435505957.db2.gz SCJOINWYKWUCJX-CYBMUJFWSA-N 1 0 318.417 3.112 10 0 DGAERO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000483285535 435508697 /nfs/dbraw/zinc/50/86/97/435508697.db2.gz NQCGXFBILXVFDN-WBVHZDCISA-N 1 0 312.461 3.486 10 0 DGAERO CN1CCN(C(=O)c2cc(Cl)sc2Cl)CC1(C)C ZINC000516318316 435526872 /nfs/dbraw/zinc/52/68/72/435526872.db2.gz IICHKPUFOXIHHJ-UHFFFAOYSA-N 1 0 307.246 3.221 10 0 DGAERO COc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000538267597 435490948 /nfs/dbraw/zinc/49/09/48/435490948.db2.gz LXKRHXQIUIYCEN-QAPCUYQASA-N 1 0 311.429 3.413 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C1(c2ccc(F)cc2)CCCCC1 ZINC000538316780 435493271 /nfs/dbraw/zinc/49/32/71/435493271.db2.gz NAFDQSAUQLWKMC-UHFFFAOYSA-N 1 0 320.452 3.438 10 0 DGAERO CN(CC1CC1)C(=O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483128340 435498618 /nfs/dbraw/zinc/49/86/18/435498618.db2.gz PERRAFTWACAWJG-UHFFFAOYSA-N 1 0 320.864 3.388 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000539416398 435552361 /nfs/dbraw/zinc/55/23/61/435552361.db2.gz PHAFMTMARFMPST-UHFFFAOYSA-N 1 0 310.441 3.306 10 0 DGAERO c1cncc(-c2cccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)c1 ZINC000569693180 435553430 /nfs/dbraw/zinc/55/34/30/435553430.db2.gz AVLVAQVVLQFTBM-FQEVSTJZSA-N 1 0 307.441 3.324 10 0 DGAERO CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2C[C@@H]2C)CC1)CC(C)C ZINC000539172999 435542499 /nfs/dbraw/zinc/54/24/99/435542499.db2.gz NWCAXVBDZSLRDW-WMZOPIPTSA-N 1 0 323.525 3.432 10 0 DGAERO CC(C)[C@H](C(=O)Nc1ccc2c(c1)CCCO2)[NH+]1CCCCC1 ZINC000517814114 435614302 /nfs/dbraw/zinc/61/43/02/435614302.db2.gz KDZTYCHWCUXPNH-GOSISDBHSA-N 1 0 316.445 3.461 10 0 DGAERO O=C1CC[C@@H](C[NH2+]C2(c3ccccc3)CCCCC2)CCN1 ZINC000450582859 304631585 /nfs/dbraw/zinc/63/15/85/304631585.db2.gz SYDFDZKMPIVTLG-MRXNPFEDSA-N 1 0 300.446 3.352 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000113224752 300314028 /nfs/dbraw/zinc/31/40/28/300314028.db2.gz LRSHISLSGWNMHG-SMDDNHRTSA-N 1 0 312.335 3.014 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000572193996 435791160 /nfs/dbraw/zinc/79/11/60/435791160.db2.gz AJJXZYRMTDLFSF-LJQANCHMSA-N 1 0 314.473 3.188 10 0 DGAERO c1sc(C2CCCC2)nc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572247145 435801254 /nfs/dbraw/zinc/80/12/54/435801254.db2.gz VZJDOGCAHVXKKX-QGZVFWFLSA-N 1 0 305.491 3.376 10 0 DGAERO Cc1cc(CC[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)on1 ZINC000552339866 435897666 /nfs/dbraw/zinc/89/76/66/435897666.db2.gz GMEYKIZKKYSKBN-AWEZNQCLSA-N 1 0 309.413 3.462 10 0 DGAERO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000122421472 301289532 /nfs/dbraw/zinc/28/95/32/301289532.db2.gz VOLGGYBMDMTUDS-DZGCQCFKSA-N 1 0 322.836 3.073 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCNC(=O)C(C)C)CCCO2 ZINC000090880885 301443788 /nfs/dbraw/zinc/44/37/88/301443788.db2.gz YNJMQQRDPHIQCX-KRWDZBQOSA-N 1 0 318.461 3.269 10 0 DGAERO CCOC1CCC([NH2+][C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000657941002 436345120 /nfs/dbraw/zinc/34/51/20/436345120.db2.gz QBSILVXTTMPXTP-IVMQYODDSA-N 1 0 304.478 3.444 10 0 DGAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000662857570 436396444 /nfs/dbraw/zinc/39/64/44/436396444.db2.gz AAJHOQJKRGBGKQ-SNVBAGLBSA-N 1 0 319.630 3.477 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(F)c(Cl)cc1Cl ZINC000658246060 436409564 /nfs/dbraw/zinc/40/95/64/436409564.db2.gz WVDIBVMBDNISOJ-BDAKNGLRSA-N 1 0 319.207 3.261 10 0 DGAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(Br)cc1F ZINC000658352346 436436975 /nfs/dbraw/zinc/43/69/75/436436975.db2.gz FDNDXJDMYQCWIU-SILCLGDVSA-N 1 0 302.187 3.010 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3cccnn3)C1)[C@@H](C)C2 ZINC000180903269 301911209 /nfs/dbraw/zinc/91/12/09/301911209.db2.gz DSSSNGDPPRMFBV-XAUMDUMWSA-N 1 0 322.456 3.277 10 0 DGAERO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000262249556 302022953 /nfs/dbraw/zinc/02/29/53/302022953.db2.gz SKNIXMBXXJTAAR-YJBOKZPZSA-N 1 0 300.446 3.294 10 0 DGAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177296373 302801901 /nfs/dbraw/zinc/80/19/01/302801901.db2.gz AJXSVHGHVYDTEQ-KGLIPLIRSA-N 1 0 309.417 3.326 10 0 DGAERO COc1ccc(CC[NH2+]Cc2c(Cl)cnn2C)c(Cl)c1 ZINC000132147839 312635882 /nfs/dbraw/zinc/63/58/82/312635882.db2.gz ALSHJRMGTBMYSM-UHFFFAOYSA-N 1 0 314.216 3.068 10 0 DGAERO CC[C@@H](CC(=O)NC[C@@H](C)[NH+](CC)CC)c1ccc(OC)cc1 ZINC000132899794 312654286 /nfs/dbraw/zinc/65/42/86/312654286.db2.gz MSGDXZIQCJYRDE-CVEARBPZSA-N 1 0 320.477 3.425 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000170788665 312702051 /nfs/dbraw/zinc/70/20/51/312702051.db2.gz WQMOXQOCAYBZEL-DLBZAZTESA-N 1 0 310.482 3.059 10 0 DGAERO CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868465 312703758 /nfs/dbraw/zinc/70/37/58/312703758.db2.gz PKCIBMCXYKFJGT-SJORKVTESA-N 1 0 320.502 3.107 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1 ZINC000178118269 312786641 /nfs/dbraw/zinc/78/66/41/312786641.db2.gz FWEZEUKOCKLTNJ-KSSFIOAISA-N 1 0 301.434 3.238 10 0 DGAERO Clc1cccc(N2CCCC2)c1CN1CC[NH+](C2CC2)CC1 ZINC000179670613 312812422 /nfs/dbraw/zinc/81/24/22/312812422.db2.gz FEAFVJHUMHAUTO-UHFFFAOYSA-N 1 0 319.880 3.220 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000376374739 312941578 /nfs/dbraw/zinc/94/15/78/312941578.db2.gz FWRPULNYKFKTHO-QFBILLFUSA-N 1 0 314.473 3.056 10 0 DGAERO CN(Cc1ccc(Br)c(F)c1F)CC(C)(C)C[NH3+] ZINC000530211021 313340286 /nfs/dbraw/zinc/34/02/86/313340286.db2.gz LOVVZGFTBGOFLE-UHFFFAOYSA-N 1 0 321.209 3.144 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc2c1OCO2 ZINC000530492217 313375140 /nfs/dbraw/zinc/37/51/40/313375140.db2.gz ZMVQGCHCZZADAJ-GVDBMIGSSA-N 1 0 317.429 3.143 10 0 DGAERO c1ccc2c(c1)CC[C@H]2[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000532459106 313551132 /nfs/dbraw/zinc/55/11/32/313551132.db2.gz FKEYYTPYWCUJPQ-LJQANCHMSA-N 1 0 314.473 3.299 10 0 DGAERO c1nc(C2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)c[nH]1 ZINC000533540729 313626834 /nfs/dbraw/zinc/62/68/34/313626834.db2.gz QXVYUHYXNHEHPP-UHFFFAOYSA-N 1 0 319.412 3.246 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000536041845 313746575 /nfs/dbraw/zinc/74/65/75/313746575.db2.gz MZPZYVFSOLKHEN-UHFFFAOYSA-N 1 0 324.852 3.262 10 0 DGAERO c1ccc([C@H]2C[C@@H]2C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000537227962 313803289 /nfs/dbraw/zinc/80/32/89/313803289.db2.gz AVFKWNPBMLAAOS-IEBWSBKVSA-N 1 0 307.441 3.444 10 0 DGAERO Cc1csc(NC(=O)C[NH2+][C@@H](c2cccs2)C2CC2)n1 ZINC000538263242 313852772 /nfs/dbraw/zinc/85/27/72/313852772.db2.gz RETYMCSRRCDBES-CYBMUJFWSA-N 1 0 307.444 3.192 10 0 DGAERO Fc1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000540596061 313967646 /nfs/dbraw/zinc/96/76/46/313967646.db2.gz MMVLUUBPNPSFAO-GVDBMIGSSA-N 1 0 305.393 3.142 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000541482165 314016998 /nfs/dbraw/zinc/01/69/98/314016998.db2.gz JCPREFIKIZKLOI-HZPDHXFCSA-N 1 0 309.498 3.351 10 0 DGAERO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000541696409 314032065 /nfs/dbraw/zinc/03/20/65/314032065.db2.gz DSYJYYRUJZVCPQ-YJBOKZPZSA-N 1 0 302.462 3.062 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)NCc1cccc(Cl)c1Cl ZINC000541821206 314039757 /nfs/dbraw/zinc/03/97/57/314039757.db2.gz VMBOOVQEAVETQJ-UHFFFAOYSA-N 1 0 318.248 3.087 10 0 DGAERO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)C[C@@H]2CC=CCC2)c1 ZINC000542255423 314065411 /nfs/dbraw/zinc/06/54/11/314065411.db2.gz YRWLFXMAQIHWGH-MSOLQXFVSA-N 1 0 303.446 3.331 10 0 DGAERO COC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)cc1 ZINC000542542268 314084037 /nfs/dbraw/zinc/08/40/37/314084037.db2.gz SAJJCOWQJLSCLE-MOPGFXCFSA-N 1 0 317.404 3.097 10 0 DGAERO C[C@@H](Cc1ccsc1)[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000543081023 314113310 /nfs/dbraw/zinc/11/33/10/314113310.db2.gz LXGYNHKAPUKGEN-WMLDXEAASA-N 1 0 314.454 3.242 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000543103233 314114011 /nfs/dbraw/zinc/11/40/11/314114011.db2.gz FBKYJNRMAQNMHC-KRWDZBQOSA-N 1 0 317.477 3.226 10 0 DGAERO Cc1[nH+]c2ccccc2c(NC[C@@H](CO)c2ccccc2)c1C ZINC000543137900 314115988 /nfs/dbraw/zinc/11/59/88/314115988.db2.gz WOQZHCVKJAHIBJ-KRWDZBQOSA-N 1 0 306.409 3.462 10 0 DGAERO COC(=O)c1ccccc1OCC[N@H+](C)C[C@H]1CC=CCC1 ZINC000543172386 314117625 /nfs/dbraw/zinc/11/76/25/314117625.db2.gz PWIRYFLQIIPCPF-HNNXBMFYSA-N 1 0 303.402 3.140 10 0 DGAERO CCOc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H]2CC=CCC2)cc1 ZINC000543175951 314118581 /nfs/dbraw/zinc/11/85/81/314118581.db2.gz WUNAZCZYKNKCKM-IRXDYDNUSA-N 1 0 319.445 3.113 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000543190014 314119261 /nfs/dbraw/zinc/11/92/61/314119261.db2.gz WRVQCAIDLDXFDM-INIZCTEOSA-N 1 0 315.461 3.246 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000543208172 314121624 /nfs/dbraw/zinc/12/16/24/314121624.db2.gz KHCYLCRZTYTPBM-GDBMZVCRSA-N 1 0 321.490 3.349 10 0 DGAERO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@H]1CC=CCC1 ZINC000544118676 314174550 /nfs/dbraw/zinc/17/45/50/314174550.db2.gz ZMTYUQDRBQUIKM-ZDUSSCGKSA-N 1 0 317.820 3.136 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000544254915 314182473 /nfs/dbraw/zinc/18/24/73/314182473.db2.gz ZHEWHHHOEUIQGQ-HUUCEWRRSA-N 1 0 321.490 3.349 10 0 DGAERO C[C@@H](CCNC(=O)N(C)C[C@@H]1CC=CCC1)[NH+]1CCCCC1 ZINC000544330956 314186021 /nfs/dbraw/zinc/18/60/21/314186021.db2.gz UNGHZDCSFUQYJS-DLBZAZTESA-N 1 0 307.482 3.249 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000544384857 314189378 /nfs/dbraw/zinc/18/93/78/314189378.db2.gz FYSKFWXKISOCKR-KFWWJZLASA-N 1 0 301.496 3.148 10 0 DGAERO c1cnn(CCCCC[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000544547520 314198026 /nfs/dbraw/zinc/19/80/26/314198026.db2.gz RIKPBSLKKPTCDS-SFHVURJKSA-N 1 0 305.466 3.335 10 0 DGAERO C[C@@H](C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)C[C@H](C)O ZINC000544567231 314199040 /nfs/dbraw/zinc/19/90/40/314199040.db2.gz REDFBGZZHBLSNX-IIYDPXPESA-N 1 0 321.852 3.160 10 0 DGAERO Cc1ccc(-c2ncco2)cc1NC(=O)N(C)CCC[NH+](C)C ZINC000544612416 314203258 /nfs/dbraw/zinc/20/32/58/314203258.db2.gz ZTLIFEMXSXOPIK-UHFFFAOYSA-N 1 0 316.405 3.065 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000545152380 314228422 /nfs/dbraw/zinc/22/84/22/314228422.db2.gz CCQGVQJMIRBKKW-OAHLLOKOSA-N 1 0 319.424 3.180 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2ncc(C(C)(C)C)s2)CC1 ZINC000545162089 314229310 /nfs/dbraw/zinc/22/93/10/314229310.db2.gz YQGMORZGLRDDMT-UHFFFAOYSA-N 1 0 322.478 3.214 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)CCC2CCCCC2)CC1 ZINC000547269805 314352322 /nfs/dbraw/zinc/35/23/22/314352322.db2.gz BQKHQKURSLPMAW-UHFFFAOYSA-N 1 0 307.482 3.250 10 0 DGAERO CC1(C)CCC[C@H](C[NH2+]Cc2cccc(N3CCOCC3)n2)C1 ZINC000547829187 314400194 /nfs/dbraw/zinc/40/01/94/314400194.db2.gz HOZIFPYGYAFMCP-INIZCTEOSA-N 1 0 317.477 3.224 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](COC)c1ccc(F)cc1 ZINC000548195097 314432467 /nfs/dbraw/zinc/43/24/67/314432467.db2.gz PHZLCAFFMIGJBE-MOPGFXCFSA-N 1 0 317.404 3.361 10 0 DGAERO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000549037991 314490855 /nfs/dbraw/zinc/49/08/55/314490855.db2.gz YYZGSCMDHXAVFQ-CJNGLKHVSA-N 1 0 323.444 3.285 10 0 DGAERO c1ccc(C2CC(C[NH2+]C3CCN(c4cnccn4)CC3)C2)cc1 ZINC000549237791 314500827 /nfs/dbraw/zinc/50/08/27/314500827.db2.gz ZVEPWXYNMOMKBJ-UHFFFAOYSA-N 1 0 322.456 3.229 10 0 DGAERO Cc1ccc2nc(C[NH2+]C[C@@](C)(O)C3CCCCC3)cn2c1 ZINC000551231588 314554415 /nfs/dbraw/zinc/55/44/15/314554415.db2.gz RBADLPVOOLCQSZ-GOSISDBHSA-N 1 0 301.434 3.064 10 0 DGAERO c1ccc(COc2ccnc(NCC34CCC[NH+]3CCC4)n2)cc1 ZINC000557671886 314815068 /nfs/dbraw/zinc/81/50/68/314815068.db2.gz FIPUOYBEHWGRKL-UHFFFAOYSA-N 1 0 324.428 3.096 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000562251508 315002882 /nfs/dbraw/zinc/00/28/82/315002882.db2.gz HRASCWNXBQVYHP-UHFFFAOYSA-N 1 0 305.466 3.004 10 0 DGAERO C[C@@H]([NH2+]CCOCC1CCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562280634 315005226 /nfs/dbraw/zinc/00/52/26/315005226.db2.gz IYYAUVYBYAMEHU-CYBMUJFWSA-N 1 0 316.445 3.384 10 0 DGAERO FC(F)(F)COCCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000562337609 315011382 /nfs/dbraw/zinc/01/13/82/315011382.db2.gz DBKODVRZSYMTAB-UHFFFAOYSA-N 1 0 317.351 3.293 10 0 DGAERO c1c(CNc2cc3c(c[nH+]2)CCCC3)[nH]nc1-c1cccnc1 ZINC000562578880 315032299 /nfs/dbraw/zinc/03/22/99/315032299.db2.gz GPQYVNABRODDCC-UHFFFAOYSA-N 1 0 305.385 3.358 10 0 DGAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCOCC1CCC1 ZINC000562579811 315032432 /nfs/dbraw/zinc/03/24/32/315032432.db2.gz QGCHYPIXDUCIER-AWEZNQCLSA-N 1 0 305.418 3.143 10 0 DGAERO C(=C/c1ccccc1)\CC[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000562700251 315045627 /nfs/dbraw/zinc/04/56/27/315045627.db2.gz PLPWAJGGXBLZKT-AUVQFFENSA-N 1 0 314.473 3.323 10 0 DGAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871299 315058866 /nfs/dbraw/zinc/05/88/66/315058866.db2.gz IBSDAJDZZNDLQC-UZLBHIALSA-N 1 0 310.441 3.305 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000563261355 315096337 /nfs/dbraw/zinc/09/63/37/315096337.db2.gz GNBHCUNIJKDTSY-NRUITVPNSA-N 1 0 318.848 3.344 10 0 DGAERO COc1cccc(C[NH2+]CCOCC2CCC2)c1OC(C)C ZINC000564647863 315188884 /nfs/dbraw/zinc/18/88/84/315188884.db2.gz QXTQQJBHWOMCQZ-UHFFFAOYSA-N 1 0 307.434 3.389 10 0 DGAERO O=C(c1cccc(Cl)c1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564721719 315194547 /nfs/dbraw/zinc/19/45/47/315194547.db2.gz FHCBMRJEPWSOJR-HNNXBMFYSA-N 1 0 313.228 3.209 10 0 DGAERO c1cc(OCC2CC2)ccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973846 315216387 /nfs/dbraw/zinc/21/63/87/315216387.db2.gz YFWSRPDZFQRPHT-IBGZPJMESA-N 1 0 300.446 3.051 10 0 DGAERO c1ccc2c(c1)O[C@H](C[NH2+]Cc1ccc3c(n1)CCC3)CS2 ZINC000564990905 315218017 /nfs/dbraw/zinc/21/80/17/315218017.db2.gz OXICTJYWCXSSQQ-OAHLLOKOSA-N 1 0 312.438 3.213 10 0 DGAERO c1nc([C@@H](NC2CC([NH+]3CCCCC3)C2)C2CCCCC2)n[nH]1 ZINC000565398528 315258628 /nfs/dbraw/zinc/25/86/28/315258628.db2.gz NIDPDHQIQXSYJC-JCYILVPMSA-N 1 0 317.481 3.033 10 0 DGAERO Cc1nc(CNC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)[nH]c1C ZINC000565549925 315270076 /nfs/dbraw/zinc/27/00/76/315270076.db2.gz OTCSVGHLMOUMLC-LJQANCHMSA-N 1 0 312.461 3.171 10 0 DGAERO c1ccc(N2CCO[C@@H](C[NH2+]C3(C4CCC4)CCC3)C2)cc1 ZINC000567058916 315393759 /nfs/dbraw/zinc/39/37/59/315393759.db2.gz IQLCIQIESLRHLA-SFHVURJKSA-N 1 0 300.446 3.204 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]CCOCC1CCC1)CCCO2 ZINC000571014839 315690850 /nfs/dbraw/zinc/69/08/50/315690850.db2.gz WNWCUYTWYBNUCA-KRWDZBQOSA-N 1 0 305.418 3.315 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(C)n2C2CC2)C12CCCCC2 ZINC000572906339 315826187 /nfs/dbraw/zinc/82/61/87/315826187.db2.gz SNWJQQHSSWMVEH-HZPDHXFCSA-N 1 0 318.465 3.139 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]CC3=CCOCC3)CC23CC3)cc1 ZINC000574810831 316002997 /nfs/dbraw/zinc/00/29/97/316002997.db2.gz PFVXJPBDHJLDJJ-IBGZPJMESA-N 1 0 312.457 3.120 10 0 DGAERO C[NH+](C)C1CC(NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000576052384 316089078 /nfs/dbraw/zinc/08/90/78/316089078.db2.gz JKYQLULUJMOCCP-UHFFFAOYSA-N 1 0 304.768 3.124 10 0 DGAERO CC(=O)c1cc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])ccc1C ZINC000576291980 316115445 /nfs/dbraw/zinc/11/54/45/316115445.db2.gz YHZKZJJPDDAQTN-WBVHZDCISA-N 1 0 302.418 3.434 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C(C)(C)c1ccccc1 ZINC000180006214 323219946 /nfs/dbraw/zinc/21/99/46/323219946.db2.gz FHJGETCONYCCSI-GOEBONIOSA-N 1 0 311.491 3.013 10 0 DGAERO CC[C@H]([NH2+]Cc1nnc(C)n1CC)C(C)(C)c1ccccc1 ZINC000180010861 323219952 /nfs/dbraw/zinc/21/99/52/323219952.db2.gz GQXWVJDPKOFCCZ-INIZCTEOSA-N 1 0 300.450 3.452 10 0 DGAERO COc1ccccc1CC[N@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000180066469 323220842 /nfs/dbraw/zinc/22/08/42/323220842.db2.gz ZOJUDJVJGBFOBD-UHFFFAOYSA-N 1 0 315.461 3.401 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2CCC3)[C@@H]1c1ccccc1 ZINC000180133548 323222124 /nfs/dbraw/zinc/22/21/24/323222124.db2.gz TZLDQJKFSHJPME-UXHICEINSA-N 1 0 320.436 3.351 10 0 DGAERO Cc1ccc(C)c(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180158751 323222443 /nfs/dbraw/zinc/22/24/43/323222443.db2.gz PTCJDQRICATBMV-TZIWHRDSSA-N 1 0 322.452 3.408 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCCc1ccc2ccccc2c1 ZINC000180749571 323237601 /nfs/dbraw/zinc/23/76/01/323237601.db2.gz KWTNCPSMEDHWGK-IBGZPJMESA-N 1 0 310.441 3.373 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181180557 323248269 /nfs/dbraw/zinc/24/82/69/323248269.db2.gz GVOUQYSIJXRFNU-QGZVFWFLSA-N 1 0 313.445 3.043 10 0 DGAERO Clc1cc2ncc(N3CC[N@@H+]4CCC[C@@H]4C3)nc2cc1Cl ZINC000181381176 323253381 /nfs/dbraw/zinc/25/33/81/323253381.db2.gz ZPKFWJLXBJSCNG-SNVBAGLBSA-N 1 0 323.227 3.221 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([NH2+]CCc2c(C)nn(C)c2C)C1(C)C ZINC000181440975 323254189 /nfs/dbraw/zinc/25/41/89/323254189.db2.gz AWKJZBCRPNWQSA-IAGOWNOFSA-N 1 0 307.482 3.153 10 0 DGAERO CC[N@@H+]1CCC[C@H](Nc2nnc(Cc3ccccc3)s2)C1 ZINC000181852775 323271429 /nfs/dbraw/zinc/27/14/29/323271429.db2.gz MVDLLKCPPGQMBK-AWEZNQCLSA-N 1 0 302.447 3.025 10 0 DGAERO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000181928856 323275241 /nfs/dbraw/zinc/27/52/41/323275241.db2.gz GIKDOZLQLXPVRC-LSDHHAIUSA-N 1 0 316.445 3.285 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000182031075 323280337 /nfs/dbraw/zinc/28/03/37/323280337.db2.gz WJNHPYJUNZHYPW-MRXNPFEDSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)C(=O)N1CCCC[C@H]1C ZINC000182058093 323281925 /nfs/dbraw/zinc/28/19/25/323281925.db2.gz HCTIDZDNBXFLFI-GVDBMIGSSA-N 1 0 302.462 3.244 10 0 DGAERO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(F)cc1)Cc1ccccc1 ZINC000182056448 323282057 /nfs/dbraw/zinc/28/20/57/323282057.db2.gz BMESXMQBRWFXEW-CRAIPNDOSA-N 1 0 317.404 3.034 10 0 DGAERO COc1ccccc1CC[N@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000182334434 323293598 /nfs/dbraw/zinc/29/35/98/323293598.db2.gz FQJSJGJIWKVCKT-IBGZPJMESA-N 1 0 313.441 3.163 10 0 DGAERO CCc1cnccc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000182508500 323302165 /nfs/dbraw/zinc/30/21/65/323302165.db2.gz IPODKCJCIQJASA-UHFFFAOYSA-N 1 0 303.450 3.028 10 0 DGAERO CCCC[N@H+](C)CC1CCN(C(=O)c2ccncc2CC)CC1 ZINC000182548646 323304685 /nfs/dbraw/zinc/30/46/85/323304685.db2.gz SGNVFJGGGADTSB-UHFFFAOYSA-N 1 0 317.477 3.228 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1CC ZINC000182766481 323311023 /nfs/dbraw/zinc/31/10/23/323311023.db2.gz ZNNUYDYWXAABPM-GOSISDBHSA-N 1 0 313.445 3.289 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183036670 323320923 /nfs/dbraw/zinc/32/09/23/323320923.db2.gz IRXORGCRRFQQHX-UHFFFAOYSA-N 1 0 308.388 3.202 10 0 DGAERO Clc1cc(CC[NH2+][C@H]2CCCSC2)cc2c1OCCO2 ZINC000183454836 323337996 /nfs/dbraw/zinc/33/79/96/323337996.db2.gz MHNQAQQSPKARDK-LBPRGKRZSA-N 1 0 313.850 3.139 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)CC2 ZINC000183486996 323340084 /nfs/dbraw/zinc/34/00/84/323340084.db2.gz ZXLSNUSCZUHBFF-IBGZPJMESA-N 1 0 313.445 3.255 10 0 DGAERO CSCCCC[NH2+][C@H](CN1CCOCC1)c1ccccc1C ZINC000183618551 323343230 /nfs/dbraw/zinc/34/32/30/323343230.db2.gz RCJIHUATECVMGA-GOSISDBHSA-N 1 0 322.518 3.101 10 0 DGAERO c1cnc2c(c1)cccc2OCCC[NH2+][C@H]1CCCSC1 ZINC000183602666 323343563 /nfs/dbraw/zinc/34/35/63/323343563.db2.gz IFELJZNBBZIQRQ-HNNXBMFYSA-N 1 0 302.443 3.489 10 0 DGAERO CC(C)[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccccc1Cl ZINC000183700877 323345558 /nfs/dbraw/zinc/34/55/58/323345558.db2.gz UQGLVTODLQHQHT-SWLSCSKDSA-N 1 0 317.882 3.307 10 0 DGAERO COc1ccc([C@@H](CCC(C)C)[NH2+]CCCn2ccnn2)cc1 ZINC000184262292 323360204 /nfs/dbraw/zinc/36/02/04/323360204.db2.gz KSDHTSSUJAXFDT-GOSISDBHSA-N 1 0 316.449 3.444 10 0 DGAERO C[C@@H]([NH2+]CCCn1ccnn1)[C@H](C)c1nc2ccccc2s1 ZINC000184265915 323360355 /nfs/dbraw/zinc/36/03/55/323360355.db2.gz BBSGQDBKOLNDEF-QWHCGFSZSA-N 1 0 315.446 3.060 10 0 DGAERO Cc1ccc2[nH+]ccc(N[C@@H]3CCCN(c4cnn(C)c4)C3)c2c1 ZINC000185735851 323394570 /nfs/dbraw/zinc/39/45/70/323394570.db2.gz DURRASVLCOZKPQ-OAHLLOKOSA-N 1 0 321.428 3.358 10 0 DGAERO CC(C)[NH+](CCNC(=O)N1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000193071825 323461616 /nfs/dbraw/zinc/46/16/16/323461616.db2.gz IBFJIFVHMPZFDW-CYBMUJFWSA-N 1 0 323.403 3.089 10 0 DGAERO c1[nH+]cn2ccc(-c3noc([C@@H]4Cc5ccccc5O4)n3)cc12 ZINC000351108102 323546257 /nfs/dbraw/zinc/54/62/57/323546257.db2.gz UEOUUEZRMUABDB-HNNXBMFYSA-N 1 0 304.309 3.061 10 0 DGAERO Cc1sc2nc(C)nc(N[C@H](CC[NH3+])C(F)F)c2c1C ZINC000383286892 323625541 /nfs/dbraw/zinc/62/55/41/323625541.db2.gz KRXYFAZHCIJTAS-SECBINFHSA-N 1 0 300.378 3.011 10 0 DGAERO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC2CCCCCC2)c1 ZINC000580924913 324053170 /nfs/dbraw/zinc/05/31/70/324053170.db2.gz GVMZXHYJXYESRW-CQSZACIVSA-N 1 0 324.490 3.216 10 0 DGAERO Fc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)[nH]2)cc1 ZINC000581083960 324073432 /nfs/dbraw/zinc/07/34/32/324073432.db2.gz QJQVTYDMAZXVFQ-LSDHHAIUSA-N 1 0 300.381 3.279 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@H](N3CCC=C(c4ccccn4)C3)C2)cc1 ZINC000582011053 324178674 /nfs/dbraw/zinc/17/86/74/324178674.db2.gz ODEKIBSILYGKMT-FQEVSTJZSA-N 1 0 319.452 3.445 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000582754810 324270796 /nfs/dbraw/zinc/27/07/96/324270796.db2.gz PAJOZOMFNUJYIE-UHFFFAOYSA-N 1 0 319.449 3.331 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000584410179 337320819 /nfs/dbraw/zinc/32/08/19/337320819.db2.gz SYRKFLJOPNLMFR-UYAOXDASSA-N 1 0 314.473 3.330 10 0 DGAERO NC(=O)C1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000037319430 337364615 /nfs/dbraw/zinc/36/46/15/337364615.db2.gz UEFHPDUTVDBFRS-BCLQGDPASA-N 1 0 306.837 3.425 10 0 DGAERO CC(C)Oc1ccc2cnn(-c3cc[nH+]c(N4CCC4)c3)c2c1 ZINC000584617931 337373056 /nfs/dbraw/zinc/37/30/56/337373056.db2.gz UDGHAWCBPKFZBK-UHFFFAOYSA-N 1 0 308.385 3.418 10 0 DGAERO Clc1ccc(Nc2ccc([C@]34C[NH2+][C@H](CO3)C4)cc2)nc1 ZINC000584628609 337376361 /nfs/dbraw/zinc/37/63/61/337376361.db2.gz OCKNSZXCSFMCPG-HOCLYGCPSA-N 1 0 301.777 3.066 10 0 DGAERO CC[C@@H](C)[C@H](N)C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000584650033 337380669 /nfs/dbraw/zinc/38/06/69/337380669.db2.gz LYHNXPARYPKJTB-WTLGNFPFSA-N 1 0 304.478 3.365 10 0 DGAERO CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2N)C[C@@H]1C ZINC000388623279 1178074861 /nfs/dbraw/zinc/07/48/61/1178074861.db2.gz UAXIIRPGIABUKY-JTQLQIEISA-N 1 0 302.249 3.102 10 0 DGAERO c1nc2c(c(N3CCC([NH+]4CCCCC4)CC3)n1)CCCCC2 ZINC000439099403 501088109 /nfs/dbraw/zinc/08/81/09/501088109.db2.gz QXVQYDRNHDEEII-UHFFFAOYSA-N 1 0 314.477 3.200 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000178706883 533786207 /nfs/dbraw/zinc/78/62/07/533786207.db2.gz FMEQLRWKHPNURV-ZDUSSCGKSA-N 1 0 323.868 3.001 10 0 DGAERO COc1ccccc1CC1CC[NH+](Cc2cnoc2C)CC1 ZINC000181674981 534022288 /nfs/dbraw/zinc/02/22/88/534022288.db2.gz LHMZNARMQPQQIR-UHFFFAOYSA-N 1 0 300.402 3.446 10 0 DGAERO Cc1cc(CCCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C)s1 ZINC000177189858 534154994 /nfs/dbraw/zinc/15/49/94/534154994.db2.gz VUWZDIRAODIESD-QGZVFWFLSA-N 1 0 320.502 3.384 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)[C@H](C)O ZINC000449542394 535948540 /nfs/dbraw/zinc/94/85/40/535948540.db2.gz MKDJLSKJZMJXLC-WBIUFABUSA-N 1 0 312.251 3.055 10 0 DGAERO CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@@H](C)c1cccnc1 ZINC000115678032 517627273 /nfs/dbraw/zinc/62/72/73/517627273.db2.gz HUAXXTTZJOLUAL-HNNXBMFYSA-N 1 0 318.465 3.049 10 0 DGAERO CC(C)(C)C(=O)N1CCC([NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)CC1 ZINC000189236943 518560842 /nfs/dbraw/zinc/56/08/42/518560842.db2.gz HBOHXIDRBIOMJN-ZBFHGGJFSA-N 1 0 324.509 3.064 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000163341633 519458903 /nfs/dbraw/zinc/45/89/03/519458903.db2.gz NQYBBWAKKMWKQF-LBPRGKRZSA-N 1 0 308.388 3.344 10 0 DGAERO CC(C)c1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2cccnc2)n1 ZINC000070456289 519833478 /nfs/dbraw/zinc/83/34/78/519833478.db2.gz ROCQAQLBASHCEA-CQSZACIVSA-N 1 0 311.433 3.074 10 0 DGAERO Cc1nc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)sc1C ZINC000178797634 534472768 /nfs/dbraw/zinc/47/27/68/534472768.db2.gz WSRIJCRLRXUDCJ-CQSZACIVSA-N 1 0 324.494 3.249 10 0 DGAERO CCCC[C@H](COC)[NH2+]C1CCN(c2ccc(C)cn2)CC1 ZINC000163506308 521198077 /nfs/dbraw/zinc/19/80/77/521198077.db2.gz XREHJWCRGDSBGK-QGZVFWFLSA-N 1 0 305.466 3.154 10 0 DGAERO Cc1oc2nc(C[N@H+]3CC[C@H](C)C[C@H](C)C3)nc(N)c2c1C ZINC000127835764 534557946 /nfs/dbraw/zinc/55/79/46/534557946.db2.gz JHMKRTPAPIVDIO-QWRGUYRKSA-N 1 0 302.422 3.290 10 0 DGAERO [NH3+]CCC[C@@H](Nc1ncc(Br)cn1)c1ccccc1 ZINC000312042827 534620314 /nfs/dbraw/zinc/62/03/14/534620314.db2.gz XFVMTTVEPSJPCU-CYBMUJFWSA-N 1 0 321.222 3.131 10 0 DGAERO Clc1ccc(/C=C/C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000179465635 534636611 /nfs/dbraw/zinc/63/66/11/534636611.db2.gz FVKKOPFIUCQGBT-BCMPFUBYSA-N 1 0 302.809 3.282 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1CCCN1CCOC)c1ccc(F)cc1F ZINC000163381009 522854016 /nfs/dbraw/zinc/85/40/16/522854016.db2.gz LXZMBHSZXOYUFN-WMLDXEAASA-N 1 0 312.404 3.116 10 0 DGAERO CCc1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)ccc1C ZINC000157328215 523808307 /nfs/dbraw/zinc/80/83/07/523808307.db2.gz ORGIQHARYSLNJB-UHFFFAOYSA-N 1 0 313.445 3.426 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000163308098 523829617 /nfs/dbraw/zinc/82/96/17/523829617.db2.gz SKBPLXPAQPZATM-NWDGAFQWSA-N 1 0 302.871 3.163 10 0 DGAERO Cn1cncc1[C@@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)CCO1 ZINC000328657067 534813673 /nfs/dbraw/zinc/81/36/73/534813673.db2.gz ZYMOJRIMEPIOIB-KSSFIOAISA-N 1 0 311.385 3.176 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000156202259 525300716 /nfs/dbraw/zinc/30/07/16/525300716.db2.gz PFIPGPWKFRWHES-XQQFMLRXSA-N 1 0 310.388 3.405 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccncc1 ZINC000156765837 525644309 /nfs/dbraw/zinc/64/43/09/525644309.db2.gz HJJJZHIEBRITBP-TZMCWYRMSA-N 1 0 302.809 3.060 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000494722341 534899391 /nfs/dbraw/zinc/89/93/91/534899391.db2.gz CYMWCIJFGRDPRW-RDJZCZTQSA-N 1 0 302.462 3.343 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@H]1CCOC1)CCCO2 ZINC000158216755 526190539 /nfs/dbraw/zinc/19/05/39/526190539.db2.gz QLKPSKMJPNYOCU-AEFFLSMTSA-N 1 0 319.445 3.242 10 0 DGAERO Brc1ccc(C[C@H]2CC[N@@H+]([C@H]3CCOC3)C2)cc1 ZINC000292587027 526643323 /nfs/dbraw/zinc/64/33/23/526643323.db2.gz DVSBAROOUMVLCG-HIFRSBDPSA-N 1 0 310.235 3.102 10 0 DGAERO Brc1ccccc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415054292 526647794 /nfs/dbraw/zinc/64/77/94/526647794.db2.gz PRLFVERPDYWYPR-CJNGLKHVSA-N 1 0 323.278 3.413 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000155016798 527142643 /nfs/dbraw/zinc/14/26/43/527142643.db2.gz LBBIWUKJHFEFMM-HZPDHXFCSA-N 1 0 310.482 3.009 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(C)C)C2)cc1 ZINC000438507400 527297064 /nfs/dbraw/zinc/29/70/64/527297064.db2.gz TZVQTBDVUPBVKR-MRXNPFEDSA-N 1 0 302.418 3.196 10 0 DGAERO Cc1nccn1CCCC[N@H+](CCc1nccs1)C(C)C ZINC000163419975 527392141 /nfs/dbraw/zinc/39/21/41/527392141.db2.gz DPMJVBPOCMPSFR-UHFFFAOYSA-N 1 0 306.479 3.381 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)NCCC(C)(C)C ZINC000157531923 527583158 /nfs/dbraw/zinc/58/31/58/527583158.db2.gz NUTQDALZTWKGPE-CYBMUJFWSA-N 1 0 322.497 3.150 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C)c(Cl)c(C)c2)C1 ZINC000442465854 527741151 /nfs/dbraw/zinc/74/11/51/527741151.db2.gz LQAKOADHSUZCDK-ZDUSSCGKSA-N 1 0 309.841 3.420 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000328266592 527804448 /nfs/dbraw/zinc/80/44/48/527804448.db2.gz UJOGYAHWIPCZGA-LBPRGKRZSA-N 1 0 302.187 3.245 10 0 DGAERO CC(C)OC(=O)Cc1nc(C[N@@H+]2CCCC23CCC3)cs1 ZINC000444778669 527808309 /nfs/dbraw/zinc/80/83/09/527808309.db2.gz JMPMAOWGVVOFQI-UHFFFAOYSA-N 1 0 308.447 3.156 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000328201821 527810973 /nfs/dbraw/zinc/81/09/73/527810973.db2.gz GDUNDBWVTGNKRR-GFCCVEGCSA-N 1 0 302.187 3.245 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC2CCCC2)[C@H](C)C1 ZINC000178694570 527822405 /nfs/dbraw/zinc/82/24/05/527822405.db2.gz UQEGPAXUVAHLTC-WBVHZDCISA-N 1 0 309.498 3.329 10 0 DGAERO CCOc1c(F)cccc1C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000175232728 528180542 /nfs/dbraw/zinc/18/05/42/528180542.db2.gz MXPXSDIQTPRCDT-CZUORRHYSA-N 1 0 322.424 3.027 10 0 DGAERO CC(C)c1csc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000174636433 528237442 /nfs/dbraw/zinc/23/74/42/528237442.db2.gz AOAHCQRTMYKBTH-NEPJUHHUSA-N 1 0 310.467 3.213 10 0 DGAERO CC(C)c1csc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000174637065 528238010 /nfs/dbraw/zinc/23/80/10/528238010.db2.gz AOAHCQRTMYKBTH-RYUDHWBXSA-N 1 0 310.467 3.213 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437717583 528409518 /nfs/dbraw/zinc/40/95/18/528409518.db2.gz BHORYGWNHLOTNY-HBFSDRIKSA-N 1 0 314.473 3.487 10 0 DGAERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC12CCC2 ZINC000445094970 528465509 /nfs/dbraw/zinc/46/55/09/528465509.db2.gz UGKQOTXKXNOXGR-MRXNPFEDSA-N 1 0 307.482 3.369 10 0 DGAERO CCCOc1cccc(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)c1 ZINC000434460672 528750620 /nfs/dbraw/zinc/75/06/20/528750620.db2.gz QKTLRKQKIWTKLC-GOSISDBHSA-N 1 0 318.461 3.009 10 0 DGAERO CCN(Cc1c[nH]c2ccccc12)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000443381453 528761060 /nfs/dbraw/zinc/76/10/60/528761060.db2.gz BXBJBNWYXXNUMU-GASCZTMLSA-N 1 0 313.445 3.389 10 0 DGAERO CC[N@H+](Cc1cc(Br)ccc1OC)[C@@H]1CCOC1 ZINC000311000630 528764224 /nfs/dbraw/zinc/76/42/24/528764224.db2.gz IFVVYZRYMFFKCU-CYBMUJFWSA-N 1 0 314.223 3.069 10 0 DGAERO CCC(CC)[C@H](CNC(=O)Nc1cn(C)nc1C(C)C)[NH+](C)C ZINC000435167834 528854187 /nfs/dbraw/zinc/85/41/87/528854187.db2.gz FFOKGOCFUAOECC-HNNXBMFYSA-N 1 0 323.485 3.031 10 0 DGAERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nncs1 ZINC000296775687 529124414 /nfs/dbraw/zinc/12/44/14/529124414.db2.gz MXFKUKGXWNZZFE-CQSZACIVSA-N 1 0 302.447 3.251 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)Cc2ccc(C)cc2Cl)CC1 ZINC000474989828 535446946 /nfs/dbraw/zinc/44/69/46/535446946.db2.gz JICJWIOWBLVZOB-UHFFFAOYSA-N 1 0 322.880 3.429 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NCCCC2CCCC2)CC1 ZINC000465548300 535447660 /nfs/dbraw/zinc/44/76/60/535447660.db2.gz SQKPERFGHNUYSM-UHFFFAOYSA-N 1 0 309.498 3.378 10 0 DGAERO COC[C@@H](C[NH2+]Cc1c(C)nn(C)c1C)c1ccc(Cl)cc1 ZINC000449473406 536626343 /nfs/dbraw/zinc/62/63/43/536626343.db2.gz BUXCMFXRCADBJG-OAHLLOKOSA-N 1 0 321.852 3.210 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000471759092 536705858 /nfs/dbraw/zinc/70/58/58/536705858.db2.gz KBBWRGZMMUSPAI-WOSRLPQWSA-N 1 0 304.390 3.388 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)C1 ZINC000471801879 536705918 /nfs/dbraw/zinc/70/59/18/536705918.db2.gz YLYILOSFXOEJOD-ZMSDIMECSA-N 1 0 319.836 3.320 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000471785982 536706135 /nfs/dbraw/zinc/70/61/35/536706135.db2.gz GSWRFUPADNCOMR-RRQGHBQHSA-N 1 0 319.449 3.435 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CC[C@@H](OC)C2)cc1OCC(C)C ZINC000471820572 536898524 /nfs/dbraw/zinc/89/85/24/536898524.db2.gz NJDYHVIMFZATGE-HZPDHXFCSA-N 1 0 307.434 3.387 10 0 DGAERO COc1cccc([C@H]2C[C@H]([N@H+](C)C[C@@H](O)CC(F)(F)F)C2)c1 ZINC000452018039 536906189 /nfs/dbraw/zinc/90/61/89/536906189.db2.gz NZNJHHCKRSXNGU-IHRRRGAJSA-N 1 0 317.351 3.186 10 0 DGAERO CN(c1ccccc1)c1ccc(C[N@H+]2CCC(=O)N(C)CC2)cc1 ZINC000014983885 545655359 /nfs/dbraw/zinc/65/53/59/545655359.db2.gz OQEARSLCDNYMML-UHFFFAOYSA-N 1 0 323.440 3.119 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1sccc1Br ZINC000040673150 545676962 /nfs/dbraw/zinc/67/69/62/545676962.db2.gz NHICDTWJPYDDOL-ZJUUUORDSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000073328070 545713859 /nfs/dbraw/zinc/71/38/59/545713859.db2.gz VTSTVPUERRPJBN-VQIMIIECSA-N 1 0 308.425 3.213 10 0 DGAERO COc1ccc(Br)c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000087787697 545807403 /nfs/dbraw/zinc/80/74/03/545807403.db2.gz KDMOWJDCENJIRZ-GFCCVEGCSA-N 1 0 314.223 3.116 10 0 DGAERO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000089741272 545819742 /nfs/dbraw/zinc/81/97/42/545819742.db2.gz KDVIZHVVEIPNNG-ZJUUUORDSA-N 1 0 301.217 3.170 10 0 DGAERO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)s1 ZINC000090880077 545831676 /nfs/dbraw/zinc/83/16/76/545831676.db2.gz NICCRBUZARPASH-RYUDHWBXSA-N 1 0 313.430 3.444 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091539407 545835934 /nfs/dbraw/zinc/83/59/34/545835934.db2.gz UDGFUAXXCYSNHB-JOYOIKCWSA-N 1 0 301.217 3.079 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]C[C@H]3CCc4ccccc4C3)cc2)n1 ZINC000117388763 545875113 /nfs/dbraw/zinc/87/51/13/545875113.db2.gz IEEBJQDDXKMPAH-KRWDZBQOSA-N 1 0 318.424 3.162 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000120641202 545887886 /nfs/dbraw/zinc/88/78/86/545887886.db2.gz PXVYDCQOHOPXRB-BBATYDOGSA-N 1 0 301.409 3.384 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(C)cc2F)[C@H](C)C1 ZINC000132040566 545960845 /nfs/dbraw/zinc/96/08/45/545960845.db2.gz LGRPLTDBTDUTSH-WBMJQRKESA-N 1 0 310.388 3.076 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)ccc1SC ZINC000136080715 545980981 /nfs/dbraw/zinc/98/09/81/545980981.db2.gz DCGGHCLIDJPGFV-OAHLLOKOSA-N 1 0 317.458 3.278 10 0 DGAERO CCOc1ccc2nc(NC(=O)C[C@H]([NH3+])C(C)C)sc2c1 ZINC000136297595 545981588 /nfs/dbraw/zinc/98/15/88/545981588.db2.gz FXVPMPBDJFENTL-NSHDSACASA-N 1 0 307.419 3.007 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1ccc(Cl)cc1Cl ZINC000136305046 545981857 /nfs/dbraw/zinc/98/18/57/545981857.db2.gz RTAWYULRJXJBDU-CYBMUJFWSA-N 1 0 303.233 3.026 10 0 DGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000149750083 545988501 /nfs/dbraw/zinc/98/85/01/545988501.db2.gz HOTVWSQMSAUAIY-NEPJUHHUSA-N 1 0 318.642 3.496 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1c(Cl)ccc(F)c1Cl ZINC000151356175 545993352 /nfs/dbraw/zinc/99/33/52/545993352.db2.gz PLJCEHIXSFYXRO-RNSXUZJQSA-N 1 0 319.207 3.437 10 0 DGAERO C[C@H](CCCc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000180567022 546147052 /nfs/dbraw/zinc/14/70/52/546147052.db2.gz UHHGFWWPTMBCBN-MRXNPFEDSA-N 1 0 302.462 3.198 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](CCCc2cccc(C)c2)C1 ZINC000181053264 546151850 /nfs/dbraw/zinc/15/18/50/546151850.db2.gz LVPQEUVAGISJBW-SFHVURJKSA-N 1 0 312.461 3.419 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccccc2)cc1F ZINC000181336435 546155453 /nfs/dbraw/zinc/15/54/53/546155453.db2.gz ZDEZRMDMPUUUSV-AWEZNQCLSA-N 1 0 300.377 3.448 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCOC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000181537309 546158164 /nfs/dbraw/zinc/15/81/64/546158164.db2.gz GYWQLFFZJJAGQA-KVSKMBFKSA-N 1 0 319.445 3.080 10 0 DGAERO CCNC(=O)CC[NH2+][C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000181739827 546160795 /nfs/dbraw/zinc/16/07/95/546160795.db2.gz VFJXZZKSWLYVAH-HNNXBMFYSA-N 1 0 306.450 3.288 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000182561455 546165736 /nfs/dbraw/zinc/16/57/36/546165736.db2.gz OMXGDAKSJPGOJH-GHMZBOCLSA-N 1 0 320.380 3.200 10 0 DGAERO COc1ccc(-c2cnc(C[NH2+][C@@H](C)[C@H]3CCCO3)o2)cc1 ZINC000183122841 546172102 /nfs/dbraw/zinc/17/21/02/546172102.db2.gz MSFYZYOJJYOHGJ-SWLSCSKDSA-N 1 0 302.374 3.007 10 0 DGAERO CNC(=O)[C@H]([NH2+]CCCSc1ccccc1Cl)C(C)C ZINC000183635214 546177894 /nfs/dbraw/zinc/17/78/94/546177894.db2.gz FYMVHNUMYKNPER-CQSZACIVSA-N 1 0 314.882 3.182 10 0 DGAERO C[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC000185234845 546186754 /nfs/dbraw/zinc/18/67/54/546186754.db2.gz RVPAEGDUOYGPHG-HNNXBMFYSA-N 1 0 313.445 3.494 10 0 DGAERO C[C@H](NCc1noc2c1CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666825 546189822 /nfs/dbraw/zinc/18/98/22/546189822.db2.gz OZVKBKKLGWLDAJ-GJZGRUSLSA-N 1 0 317.477 3.296 10 0 DGAERO FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000186847858 546197694 /nfs/dbraw/zinc/19/76/94/546197694.db2.gz PCNFWFLEUWKLLM-CHWSQXEVSA-N 1 0 314.351 3.053 10 0 DGAERO Cc1c(Br)cccc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000225374680 546267135 /nfs/dbraw/zinc/26/71/35/546267135.db2.gz XDLJLULYUXMKJK-UHFFFAOYSA-N 1 0 319.202 3.469 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000226393488 546268201 /nfs/dbraw/zinc/26/82/01/546268201.db2.gz BLVOUGAXHVXLBT-GZBFAFLISA-N 1 0 310.235 3.330 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000227375275 546269099 /nfs/dbraw/zinc/26/90/99/546269099.db2.gz WVBJIDLCJMKSOZ-VHRBIJSZSA-N 1 0 324.877 3.368 10 0 DGAERO Cc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000230702271 546275268 /nfs/dbraw/zinc/27/52/68/546275268.db2.gz OAGSFRSIKBEVER-HZPDHXFCSA-N 1 0 319.449 3.173 10 0 DGAERO Cc1csc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1Cl ZINC000236025911 546279258 /nfs/dbraw/zinc/27/92/58/546279258.db2.gz GAEKSHUBNGLQGU-RYUDHWBXSA-N 1 0 312.866 3.314 10 0 DGAERO Cc1csc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1Cl ZINC000236025918 546279399 /nfs/dbraw/zinc/27/93/99/546279399.db2.gz GAEKSHUBNGLQGU-NWDGAFQWSA-N 1 0 312.866 3.314 10 0 DGAERO FC(F)(F)c1cc(Br)cnc1NC1CC[NH2+]CC1 ZINC000236130499 546279840 /nfs/dbraw/zinc/27/98/40/546279840.db2.gz BNEFCLLZLGDFGD-UHFFFAOYSA-N 1 0 324.144 3.027 10 0 DGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000236567514 546279844 /nfs/dbraw/zinc/27/98/44/546279844.db2.gz LUOLFOWQBGWJNS-MNOVXSKESA-N 1 0 318.642 3.496 10 0 DGAERO CC(C)COc1ccc([C@H](C)NC(=O)C2([NH3+])CCCC2)cc1 ZINC000236691400 546280043 /nfs/dbraw/zinc/28/00/43/546280043.db2.gz LMEZSNFQVQILBU-AWEZNQCLSA-N 1 0 304.434 3.170 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(C)cc2F)[C@@H](C)C1 ZINC000246532250 546305033 /nfs/dbraw/zinc/30/50/33/546305033.db2.gz LGRPLTDBTDUTSH-BLLLJJGKSA-N 1 0 310.388 3.076 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246840496 546306436 /nfs/dbraw/zinc/30/64/36/546306436.db2.gz CDLNEUNTMOHYJJ-XQQFMLRXSA-N 1 0 308.388 3.344 10 0 DGAERO CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000248457575 546317467 /nfs/dbraw/zinc/31/74/67/546317467.db2.gz MLHSHWQMRNIUNJ-VQIMIIECSA-N 1 0 302.462 3.278 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250225860 546328121 /nfs/dbraw/zinc/32/81/21/546328121.db2.gz WRCXXVWUAXOEHU-HRCADAONSA-N 1 0 324.262 3.200 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250225863 546328176 /nfs/dbraw/zinc/32/81/76/546328176.db2.gz WRCXXVWUAXOEHU-OWCLPIDISA-N 1 0 324.262 3.200 10 0 DGAERO c1ccc2sc(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000252458217 546331657 /nfs/dbraw/zinc/33/16/57/546331657.db2.gz RXKXEWIJZBKTGO-UONOGXRCSA-N 1 0 301.459 3.260 10 0 DGAERO COc1ccccc1/C=C\C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000255151598 546334254 /nfs/dbraw/zinc/33/42/54/546334254.db2.gz WLSBIPLZFZPVCB-KQMYVOCESA-N 1 0 301.430 3.335 10 0 DGAERO CC[C@H]1CN(c2ncc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000300044006 546435225 /nfs/dbraw/zinc/43/52/25/546435225.db2.gz CBMFLBZJCLUVCQ-GZMMTYOYSA-N 1 0 318.646 3.061 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(OCc2ccccc2)cc1 ZINC000301375680 546435843 /nfs/dbraw/zinc/43/58/43/546435843.db2.gz DKNSTJVYTXRKNI-QAPCUYQASA-N 1 0 324.424 3.195 10 0 DGAERO C[C@H]1C[C@@H](NCc2cscc2Br)CC[N@@H+]1C ZINC000304578278 546440948 /nfs/dbraw/zinc/44/09/48/546440948.db2.gz NRANEIGPAHVBPG-ONGXEEELSA-N 1 0 303.269 3.083 10 0 DGAERO Clc1cc(C[NH2+]CCN2CCSCC2)c(Cl)s1 ZINC000312592721 546453101 /nfs/dbraw/zinc/45/31/01/546453101.db2.gz ADKHDNHTEBCEMJ-UHFFFAOYSA-N 1 0 311.303 3.193 10 0 DGAERO C[C@@H]([NH2+]CCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)s1 ZINC000313786119 546454134 /nfs/dbraw/zinc/45/41/34/546454134.db2.gz UBHANDWITKRCMS-GRYCIOLGSA-N 1 0 302.871 3.161 10 0 DGAERO CC[C@H]([NH2+]Cc1cc(Br)c(O)c(OC)c1)C1CC1 ZINC000323698204 546477080 /nfs/dbraw/zinc/47/70/80/546477080.db2.gz IFWJRRAEKCFOAJ-LBPRGKRZSA-N 1 0 314.223 3.442 10 0 DGAERO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccccc3Cl)n1)OC2 ZINC000329685025 546490372 /nfs/dbraw/zinc/49/03/72/546490372.db2.gz UMMZYRUAXWINCM-XJKSGUPXSA-N 1 0 319.792 3.316 10 0 DGAERO C[C@@H]1CCCC[C@@H]1OCc1noc(CC2CC[NH+](C)CC2)n1 ZINC000329762271 546492066 /nfs/dbraw/zinc/49/20/66/546492066.db2.gz SLZQKOXDSYDQRP-HIFRSBDPSA-N 1 0 307.438 3.049 10 0 DGAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H]1CCc2ccccc2C1 ZINC000333265022 546505168 /nfs/dbraw/zinc/50/51/68/546505168.db2.gz FJSPUMYSHRJIDI-GOSISDBHSA-N 1 0 321.424 3.011 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(-c4coc(C5CCC5)n4)n3)cc12 ZINC000350305496 546614387 /nfs/dbraw/zinc/61/43/87/546614387.db2.gz ZLANXXUKOCITIQ-UHFFFAOYSA-N 1 0 307.313 3.307 10 0 DGAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388587705 546749021 /nfs/dbraw/zinc/74/90/21/546749021.db2.gz HJOQQJRVPMXCNZ-AQNXPRMDSA-N 1 0 316.489 3.134 10 0 DGAERO C[C@H]1C[C@@H](C[NH2+]Cc2ccsc2Br)CCO1 ZINC000390428044 546753982 /nfs/dbraw/zinc/75/39/82/546753982.db2.gz NMWZXWWGOSIHFV-UWVGGRQHSA-N 1 0 304.253 3.415 10 0 DGAERO C[C@H]1C[C@H](C[NH2+]Cc2ccsc2Br)CCO1 ZINC000390428045 546754216 /nfs/dbraw/zinc/75/42/16/546754216.db2.gz NMWZXWWGOSIHFV-VHSXEESVSA-N 1 0 304.253 3.415 10 0 DGAERO C[C@H]([NH2+]CCc1ccccc1O)c1ccnn1-c1ccccc1 ZINC000467339337 546897280 /nfs/dbraw/zinc/89/72/80/546897280.db2.gz TWLHQEFOMNZKHY-HNNXBMFYSA-N 1 0 307.397 3.471 10 0 DGAERO CCN(C)C(=O)C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000480722077 546910494 /nfs/dbraw/zinc/91/04/94/546910494.db2.gz AEZDIKSUGOHUNB-SFHVURJKSA-N 1 0 302.462 3.246 10 0 DGAERO c1nc(C2CC2)c(C[NH2+]CC[C@@H]2COc3ccccc3O2)s1 ZINC000487283539 546917957 /nfs/dbraw/zinc/91/79/57/546917957.db2.gz YDSFWFQXDQPDAF-CYBMUJFWSA-N 1 0 316.426 3.340 10 0 DGAERO O=C(C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1)NCC1CC1 ZINC000495421291 546937428 /nfs/dbraw/zinc/93/74/28/546937428.db2.gz PJMZFINWNBAUAJ-IBGZPJMESA-N 1 0 314.473 3.294 10 0 DGAERO c1ccc(C[C@H]([NH2+]C[C@H]2COCCO2)C2CCCCC2)cc1 ZINC000532448339 546980225 /nfs/dbraw/zinc/98/02/25/546980225.db2.gz DRPYSTXYEKGYLH-OALUTQOASA-N 1 0 303.446 3.183 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2c(F)cccc2F)C1 ZINC000675055724 548148565 /nfs/dbraw/zinc/14/85/65/548148565.db2.gz XAXFZCURRVJJJZ-GWCFXTLKSA-N 1 0 312.360 3.283 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@]2(C1)[NH2+]CCc1occc12 ZINC000724109425 563496353 /nfs/dbraw/zinc/49/63/53/563496353.db2.gz GKUQSAQGJVWGPX-SCLBCKFNSA-N 1 0 320.433 3.336 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1ccoc12 ZINC000724101370 563496599 /nfs/dbraw/zinc/49/65/99/563496599.db2.gz PQDXFTILJZNLPK-DYVFJYSZSA-N 1 0 306.406 3.088 10 0 DGAERO CC[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2sccc21 ZINC000725242512 563525447 /nfs/dbraw/zinc/52/54/47/563525447.db2.gz AWFOTUWZSODLJU-CJNGLKHVSA-N 1 0 310.463 3.412 10 0 DGAERO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C1=COCCC1 ZINC000730776573 574535647 /nfs/dbraw/zinc/53/56/47/574535647.db2.gz IFVDAFOCIFJWJS-SFHVURJKSA-N 1 0 314.429 3.024 10 0 DGAERO CCCCCCOCC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730773909 574535802 /nfs/dbraw/zinc/53/58/02/574535802.db2.gz LGAHCQBTMMUVGK-IXDOHACOSA-N 1 0 312.498 3.066 10 0 DGAERO COc1cccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675053630 563860996 /nfs/dbraw/zinc/86/09/96/563860996.db2.gz JNWAQFWLTCFZGU-UKRRQHHQSA-N 1 0 306.406 3.013 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cc(F)cc(F)c1 ZINC000675054410 563861835 /nfs/dbraw/zinc/86/18/35/563861835.db2.gz NKHBPCSLKOFGEG-KGLIPLIRSA-N 1 0 312.360 3.364 10 0 DGAERO C/C(=C\C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1cccc(F)c1 ZINC000732063443 574565575 /nfs/dbraw/zinc/56/55/75/574565575.db2.gz RSDRGWNJIXXVJB-SHRNQRGKSA-N 1 0 306.425 3.322 10 0 DGAERO CC[NH+]1CCC(N(C)C(=O)/C=C(\C)c2cccc(F)c2)CC1 ZINC000732067529 574565720 /nfs/dbraw/zinc/56/57/20/574565720.db2.gz NLLJMOCRNKGNDQ-WYMLVPIESA-N 1 0 304.409 3.172 10 0 DGAERO C/C(=C\C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1cccc(F)c1 ZINC000732058959 574565794 /nfs/dbraw/zinc/56/57/94/574565794.db2.gz YVWXSTOHTVIQBN-ZQHYZAEZSA-N 1 0 304.409 3.220 10 0 DGAERO C/C(=C/C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1cccc(F)c1 ZINC000732064248 574565820 /nfs/dbraw/zinc/56/58/20/574565820.db2.gz DFICWQSENTWQDT-MZLJFPOFSA-N 1 0 304.409 3.076 10 0 DGAERO C/C(=C\C(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732059523 574565975 /nfs/dbraw/zinc/56/59/75/574565975.db2.gz MSZGEYGHONWNIW-YLQKULKDSA-N 1 0 318.436 3.467 10 0 DGAERO CC[NH+]1CCC(CNC(=O)/C=C(/C)c2cccc(F)c2)CC1 ZINC000732061886 574566019 /nfs/dbraw/zinc/56/60/19/574566019.db2.gz NGRFRIUVYCKVTF-KAMYIIQDSA-N 1 0 304.409 3.077 10 0 DGAERO C/C(=C/C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1cccc(F)c1 ZINC000732306493 574571416 /nfs/dbraw/zinc/57/14/16/574571416.db2.gz XTPSZZQPUKTUIE-QXSWTLKVSA-N 1 0 306.425 3.322 10 0 DGAERO O=C1CCCN1CN1CCC[C@H]1c1ccc(Br)cc1 ZINC000733293267 574613558 /nfs/dbraw/zinc/61/35/58/574613558.db2.gz KEAYUQLVSMONDS-AWEZNQCLSA-N 1 0 323.234 3.166 10 0 DGAERO COC(=O)COc1c(C)cc(C[NH2+]CCCC2CC2)cc1C ZINC000736361032 574745693 /nfs/dbraw/zinc/74/56/93/574745693.db2.gz LEMCTAJOGHEDQM-UHFFFAOYSA-N 1 0 305.418 3.135 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000311847355 574818680 /nfs/dbraw/zinc/81/86/80/574818680.db2.gz NUOUJLNAIKIXNR-CDMKHQONSA-N 1 0 304.217 3.121 10 0 DGAERO CC(C)NC(=S)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741498745 574959943 /nfs/dbraw/zinc/95/99/43/574959943.db2.gz OSJNGZNSCJHUQR-GXTWGEPZSA-N 1 0 311.520 3.004 10 0 DGAERO C/C(=C\C(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000742309657 574989885 /nfs/dbraw/zinc/98/98/85/574989885.db2.gz HJRHVOWZUNOVNL-SZGUKTLCSA-N 1 0 304.409 3.220 10 0 DGAERO c1csc(CC[NH2+]C2[C@@H]3C[C@H]2CN(Cc2ccccc2)C3)c1 ZINC000399629018 575988141 /nfs/dbraw/zinc/98/81/41/575988141.db2.gz WEDPYOOXLXUSSY-JJTKIYQPSA-N 1 0 312.482 3.401 10 0 DGAERO CSCC[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000726693031 576037428 /nfs/dbraw/zinc/03/74/28/576037428.db2.gz PYXBZOGVIVAKMG-QWHCGFSZSA-N 1 0 302.484 3.117 10 0 DGAERO CC[C@@]1([NH2+]Cc2c(F)cccc2Br)CCOC1 ZINC000394919524 576078900 /nfs/dbraw/zinc/07/89/00/576078900.db2.gz SNIPOZHOSNNNLU-CYBMUJFWSA-N 1 0 302.187 3.247 10 0 DGAERO c1ccc2ncc(C[NH2+]C[C@H]3COc4ccccc4O3)cc2c1 ZINC000727463175 576126802 /nfs/dbraw/zinc/12/68/02/576126802.db2.gz FBXOXDAYPRRDPK-INIZCTEOSA-N 1 0 306.365 3.164 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000728535385 576186817 /nfs/dbraw/zinc/18/68/17/576186817.db2.gz XUCSBKJWKNHSSU-HJUDDPQBSA-N 1 0 304.478 3.457 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)C(C)C ZINC000300202498 617635809 /nfs/dbraw/zinc/63/58/09/617635809.db2.gz FCMLPSKSTSTJFD-ZNMIVQPWSA-N 1 0 314.470 3.035 10 0 DGAERO c1cn(CN2CCC(C[NH+]3CCCC3)CC2)nc1-c1ccccc1 ZINC000151825546 620476039 /nfs/dbraw/zinc/47/60/39/620476039.db2.gz BNPLXOUZMVQKLO-UHFFFAOYSA-N 1 0 324.472 3.315 10 0 DGAERO COc1ccccc1/C=C/C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000153008632 620531009 /nfs/dbraw/zinc/53/10/09/620531009.db2.gz OJHCGLWPHVONOX-ZGRWHYIRSA-N 1 0 303.427 3.267 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000153388259 620557414 /nfs/dbraw/zinc/55/74/14/620557414.db2.gz MOYFWQYJXANKHV-NSHDSACASA-N 1 0 305.349 3.399 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(O)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000153432964 620563612 /nfs/dbraw/zinc/56/36/12/620563612.db2.gz NKZXASNAARIRBH-NSHDSACASA-N 1 0 303.333 3.153 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)/C=C/c2ccccc2)ccc1F ZINC000115415587 621111455 /nfs/dbraw/zinc/11/14/55/621111455.db2.gz FDQGETRJICRLPJ-PKNBQFBNSA-N 1 0 312.388 3.217 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C)ccc1N1CCCC1 ZINC000116762478 621282709 /nfs/dbraw/zinc/28/27/09/621282709.db2.gz ACEPZNCWDTVFHC-MRXNPFEDSA-N 1 0 317.477 3.055 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000103305054 621322673 /nfs/dbraw/zinc/32/26/73/621322673.db2.gz MMXSFYJVNSAVSF-ZDUSSCGKSA-N 1 0 309.429 3.090 10 0 DGAERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)o1 ZINC000117102565 621351884 /nfs/dbraw/zinc/35/18/84/621351884.db2.gz PMRPXLRQKUPFNC-ZDUSSCGKSA-N 1 0 305.761 3.364 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000103483517 621695255 /nfs/dbraw/zinc/69/52/55/621695255.db2.gz RUWHZQRLIZMHPW-UHFFFAOYSA-N 1 0 316.376 3.298 10 0 DGAERO C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C1(C)CC1 ZINC000122353575 622300161 /nfs/dbraw/zinc/30/01/61/622300161.db2.gz VMVGBWJLFWXLNJ-OAHLLOKOSA-N 1 0 301.478 3.500 10 0 DGAERO C[C@H]1CN(Cc2cc3ccccc3nc2Cl)C[C@@H]1[NH+](C)C ZINC000124121580 622930237 /nfs/dbraw/zinc/93/02/37/622930237.db2.gz LPJMFOKBZOJYJA-LRDDRELGSA-N 1 0 303.837 3.270 10 0 DGAERO C[C@@H]1CN(Cc2cc3ccccc3nc2Cl)C[C@@H]1[NH+](C)C ZINC000124121330 622930465 /nfs/dbraw/zinc/93/04/65/622930465.db2.gz LPJMFOKBZOJYJA-WBMJQRKESA-N 1 0 303.837 3.270 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc2ccccc2c1 ZINC000126676762 623999740 /nfs/dbraw/zinc/99/97/40/623999740.db2.gz MPCPUFGDLAKPJF-CXAGYDPISA-N 1 0 303.427 3.068 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000126746203 624065029 /nfs/dbraw/zinc/06/50/29/624065029.db2.gz GDPDOFGMFHDIBK-CJNGLKHVSA-N 1 0 309.475 3.212 10 0 DGAERO CCCS(=O)(=O)CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000127999402 624668991 /nfs/dbraw/zinc/66/89/91/624668991.db2.gz URZSJRBFVAXQAF-HNNXBMFYSA-N 1 0 315.866 3.206 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000128567615 625014680 /nfs/dbraw/zinc/01/46/80/625014680.db2.gz GOHHDUNFIFTLGC-OAHLLOKOSA-N 1 0 310.235 3.435 10 0 DGAERO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000130383972 625844400 /nfs/dbraw/zinc/84/44/00/625844400.db2.gz JUSUVNRUAHYNDJ-BIBXISHDSA-N 1 0 310.850 3.087 10 0 DGAERO c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CCCSC1 ZINC000131165940 625958586 /nfs/dbraw/zinc/95/85/86/625958586.db2.gz QMUILSDEGKIABH-MRXNPFEDSA-N 1 0 305.491 3.447 10 0 DGAERO c1cc(N2CCCCCC2)ncc1C[NH2+][C@H]1CCCSC1 ZINC000131166137 625959079 /nfs/dbraw/zinc/95/90/79/625959079.db2.gz QMUILSDEGKIABH-INIZCTEOSA-N 1 0 305.491 3.447 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCSC2)cc(COC2CCOCC2)c1 ZINC000131461918 626640219 /nfs/dbraw/zinc/64/02/19/626640219.db2.gz FFZSTCPGTFUHKL-QGZVFWFLSA-N 1 0 321.486 3.367 10 0 DGAERO CCCCCC(C)(C)CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000132620201 626730448 /nfs/dbraw/zinc/73/04/48/626730448.db2.gz ZCMOUWSUUJDEHO-INIZCTEOSA-N 1 0 307.482 3.249 10 0 DGAERO CO[C@@H]1CCC[C@H](OC(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000132880487 626746557 /nfs/dbraw/zinc/74/65/57/626746557.db2.gz DDQUMBWUYRCUHB-SQNIBIBYSA-N 1 0 317.429 3.152 10 0 DGAERO C[NH2+]Cc1cccc2c1CN(C(=O)OCc1ccccc1)CC2 ZINC000757136709 626750788 /nfs/dbraw/zinc/75/07/88/626750788.db2.gz PEXRUCHVRCGMIT-UHFFFAOYSA-N 1 0 310.397 3.101 10 0 DGAERO C[NH+]1CCC(CSc2cncc(Br)c2)CC1 ZINC000757213883 626755758 /nfs/dbraw/zinc/75/57/58/626755758.db2.gz RJCMYXQKFNYFGH-UHFFFAOYSA-N 1 0 301.253 3.278 10 0 DGAERO CC(=O)CC[N@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000134045440 626852480 /nfs/dbraw/zinc/85/24/80/626852480.db2.gz RAAYRUGRWVWYBM-OAQYLSRUSA-N 1 0 323.436 3.302 10 0 DGAERO C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C ZINC000222082379 627234244 /nfs/dbraw/zinc/23/42/44/627234244.db2.gz GTUGXOPSFTWOCS-LLVKDONJSA-N 1 0 314.376 3.358 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000301023818 627286167 /nfs/dbraw/zinc/28/61/67/627286167.db2.gz QYUHJNRFZMHVHP-ZDUSSCGKSA-N 1 0 314.470 3.179 10 0 DGAERO CCOC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000223970718 627319732 /nfs/dbraw/zinc/31/97/32/627319732.db2.gz YFCXVCUGDPNVHK-KKUMJFAQSA-N 1 0 314.470 3.179 10 0 DGAERO CCn1cc(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000112097776 627548789 /nfs/dbraw/zinc/54/87/89/627548789.db2.gz LZOZMSHMOKLDFV-LJQANCHMSA-N 1 0 312.461 3.047 10 0 DGAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCc2cccs2)CC1 ZINC000101549313 629733186 /nfs/dbraw/zinc/73/31/86/629733186.db2.gz FJRRATFNDJIPIF-AWEZNQCLSA-N 1 0 308.491 3.163 10 0 DGAERO CN(CC[N@H+](C)C[C@H](O)c1cc(F)ccc1F)c1ccccc1 ZINC000107683372 631700985 /nfs/dbraw/zinc/70/09/85/631700985.db2.gz XMLLFIRQHLWZJM-SFHVURJKSA-N 1 0 320.383 3.066 10 0 DGAERO CC(C)(C)SCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000073018835 660236428 /nfs/dbraw/zinc/23/64/28/660236428.db2.gz UBSPTFAWULGQSH-INIZCTEOSA-N 1 0 320.502 3.471 10 0 DGAERO c1n[nH]cc1C1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425397715 660494953 /nfs/dbraw/zinc/49/49/53/660494953.db2.gz MMWIMSHYQHDQKE-UHFFFAOYSA-N 1 0 319.412 3.246 10 0 DGAERO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+](C)CC1(CO)CC1 ZINC000186781771 660574090 /nfs/dbraw/zinc/57/40/90/660574090.db2.gz OGAFUBILKLDCSI-AWEZNQCLSA-N 1 0 318.461 3.015 10 0 DGAERO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000700739964 660634403 /nfs/dbraw/zinc/63/44/03/660634403.db2.gz FEOOMHIXPNJQJP-NSHDSACASA-N 1 0 312.866 3.066 10 0 DGAERO Clc1cccc(C[NH2+]CCOC2CCOCC2)c1Cl ZINC000701381367 660666377 /nfs/dbraw/zinc/66/63/77/660666377.db2.gz MLXLURNODCUDEK-UHFFFAOYSA-N 1 0 304.217 3.279 10 0 DGAERO C[C@@H](CC[NH2+][C@@H]1CC[C@H](C)SC1)NC(=O)OC(C)(C)C ZINC000701557939 660672369 /nfs/dbraw/zinc/67/23/69/660672369.db2.gz FVMCDFLCOMFQAS-RWMBFGLXSA-N 1 0 302.484 3.163 10 0 DGAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccncc1 ZINC000701856890 660690604 /nfs/dbraw/zinc/69/06/04/660690604.db2.gz ZCCZQVKFRANSJR-WRSVWVKZSA-N 1 0 317.433 3.132 10 0 DGAERO CC(C)(C)OC(=O)NC1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000701937200 660692799 /nfs/dbraw/zinc/69/27/99/660692799.db2.gz WYFHTZRWVJTRDJ-HIFPTAJRSA-N 1 0 318.408 3.457 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000701945180 660692946 /nfs/dbraw/zinc/69/29/46/660692946.db2.gz PIANEJCUIKMCJA-XDQVBPFNSA-N 1 0 314.495 3.258 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)CN1C(=O)OC(C)(C)C ZINC000701953801 660693689 /nfs/dbraw/zinc/69/36/89/660693689.db2.gz ZGTPLPBZZASBFD-UPJWGTAASA-N 1 0 318.408 3.409 10 0 DGAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1nc2ccccc2s1 ZINC000702271767 660718392 /nfs/dbraw/zinc/71/83/92/660718392.db2.gz BUSGTYWMVQXUML-LLVKDONJSA-N 1 0 308.472 3.205 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000702395701 660722034 /nfs/dbraw/zinc/72/20/34/660722034.db2.gz XSEGBBIAOZNEBK-RWMBFGLXSA-N 1 0 305.365 3.222 10 0 DGAERO CO[C@@H](C[NH2+]Cc1ccc(C2OCCO2)cc1)C1CCCCC1 ZINC000702538891 660729639 /nfs/dbraw/zinc/72/96/39/660729639.db2.gz UXNFHMFPFWIWNO-SFHVURJKSA-N 1 0 319.445 3.417 10 0 DGAERO CO[C@H](C[NH2+]Cc1ccc(C2OCCO2)cc1)C1CCCCC1 ZINC000702538889 660729728 /nfs/dbraw/zinc/72/97/28/660729728.db2.gz UXNFHMFPFWIWNO-GOSISDBHSA-N 1 0 319.445 3.417 10 0 DGAERO C[C@H](F)CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000702639722 660732794 /nfs/dbraw/zinc/73/27/94/660732794.db2.gz XHMMVCKFMRMRCI-LJISPDSOSA-N 1 0 314.445 3.360 10 0 DGAERO CN(Cc1ccccc1)C1(C[NH2+]C2CCC(C)(O)CC2)CCC1 ZINC000703010786 660754704 /nfs/dbraw/zinc/75/47/04/660754704.db2.gz RQBJGBBGLFFFIE-UHFFFAOYSA-N 1 0 316.489 3.324 10 0 DGAERO CC1(O)CCC([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000703018233 660755720 /nfs/dbraw/zinc/75/57/20/660755720.db2.gz RDZPSWKCKIWIFP-IOJLRTSASA-N 1 0 316.489 3.324 10 0 DGAERO Cc1cc(C[NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)ccn1 ZINC000703507608 660780209 /nfs/dbraw/zinc/78/02/09/660780209.db2.gz GYFGDPDHFAHOGA-UHFFFAOYSA-N 1 0 319.449 3.269 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC000704375299 660808609 /nfs/dbraw/zinc/80/86/09/660808609.db2.gz RJVDYFAFJFIROD-GHMZBOCLSA-N 1 0 313.829 3.126 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]Cc2cncs2)CCN1C(=O)OC(C)(C)C ZINC000704619514 660813337 /nfs/dbraw/zinc/81/33/37/660813337.db2.gz FXGWJMFKKOJBCW-QWHCGFSZSA-N 1 0 311.451 3.021 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC=CO2)CCN1C(=O)OC(C)(C)C ZINC000704632477 660814004 /nfs/dbraw/zinc/81/40/04/660814004.db2.gz XMAGPXVFMHZHEW-SOUVJXGZSA-N 1 0 310.438 3.057 10 0 DGAERO Brc1ccc(C[NH2+]CC[C@H]2CCSC2)nc1 ZINC000704847300 660822644 /nfs/dbraw/zinc/82/26/44/660822644.db2.gz UEAWCLTWGNGQHQ-JTQLQIEISA-N 1 0 301.253 3.077 10 0 DGAERO Brc1cncc(C[NH2+]CC[C@H]2CCSC2)c1 ZINC000704845957 660822656 /nfs/dbraw/zinc/82/26/56/660822656.db2.gz QGCAITALIGJEAW-JTQLQIEISA-N 1 0 301.253 3.077 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCSC2)C1 ZINC000704892452 660825553 /nfs/dbraw/zinc/82/55/53/660825553.db2.gz VWTWAPKZZVIUJN-ZIAGYGMSSA-N 1 0 314.495 3.119 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]C[C@H]2CC=CCC2)CCOCC1 ZINC000705628166 660837630 /nfs/dbraw/zinc/83/76/30/660837630.db2.gz KMYJCCXUWVTSFV-HNNXBMFYSA-N 1 0 324.465 3.006 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000704986782 660829871 /nfs/dbraw/zinc/82/98/71/660829871.db2.gz HZKKZVPTDZUHPR-JONQDZQNSA-N 1 0 308.466 3.458 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]CC[C@H]2CC2(F)F)CCCN1C(=O)OC(C)(C)C ZINC000706512983 660861942 /nfs/dbraw/zinc/86/19/42/660861942.db2.gz PJDYSWSHHVHHFD-AGIUHOORSA-N 1 0 318.408 3.409 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000706560460 660865870 /nfs/dbraw/zinc/86/58/70/660865870.db2.gz PPKXELIESAJDJW-BFHYXJOUSA-N 1 0 314.495 3.260 10 0 DGAERO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CCCSCC1 ZINC000706554476 660864866 /nfs/dbraw/zinc/86/48/66/660864866.db2.gz GJOBMCBBCFCMDH-CHWSQXEVSA-N 1 0 302.484 3.117 10 0 DGAERO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCCSCC1 ZINC000706554479 660864923 /nfs/dbraw/zinc/86/49/23/660864923.db2.gz GJOBMCBBCFCMDH-STQMWFEESA-N 1 0 302.484 3.117 10 0 DGAERO Cc1conc1C[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000708293410 660919832 /nfs/dbraw/zinc/91/98/32/660919832.db2.gz STZRDGOLMAHYQY-KGLIPLIRSA-N 1 0 323.437 3.108 10 0 DGAERO CSC1CC([NH2+]Cc2cc(O)ccc2Br)C1 ZINC000708282797 660919906 /nfs/dbraw/zinc/91/99/06/660919906.db2.gz NNSKLQUPXJERFX-UHFFFAOYSA-N 1 0 302.237 3.138 10 0 DGAERO CC1(C)CO[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000708401639 660920984 /nfs/dbraw/zinc/92/09/84/660920984.db2.gz ZXZQJKTXBGGKJO-GOSISDBHSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@H]([NH2+]Cc1cc(Br)nn1C)[C@]12C[C@H]1CCCC2 ZINC000708875111 660923584 /nfs/dbraw/zinc/92/35/84/660923584.db2.gz DOYSRRXUZWVFOA-WDMOLILDSA-N 1 0 312.255 3.241 10 0 DGAERO CSCC[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000709389470 660928050 /nfs/dbraw/zinc/92/80/50/660928050.db2.gz IRJKFSHXCZTNRQ-SYQHCUMBSA-N 1 0 314.495 3.116 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000709485727 660928461 /nfs/dbraw/zinc/92/84/61/660928461.db2.gz WZCSVHUFAUZQEE-CABCVRRESA-N 1 0 324.465 3.077 10 0 DGAERO Cc1cc(Cl)ccc1CN1CCc2sc(C[NH3+])nc2C1 ZINC000710238681 660932505 /nfs/dbraw/zinc/93/25/05/660932505.db2.gz JOJALNVLDBFLDS-UHFFFAOYSA-N 1 0 307.850 3.122 10 0 DGAERO C[C@H](c1csc(Cl)c1)N1CCc2sc(C[NH3+])nc2C1 ZINC000710165406 660932712 /nfs/dbraw/zinc/93/27/12/660932712.db2.gz DUIXIOBDHZWRMT-MRVPVSSYSA-N 1 0 313.879 3.436 10 0 DGAERO C[C@@H](CCCC(F)(F)F)N1CCc2sc(C[NH3+])nc2C1 ZINC000710238656 660932871 /nfs/dbraw/zinc/93/28/71/660932871.db2.gz JLOUIIQZSGUCPQ-VIFPVBQESA-N 1 0 307.385 3.081 10 0 DGAERO CC[C@H](C)N(Cc1ccccc1)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711344032 660947883 /nfs/dbraw/zinc/94/78/83/660947883.db2.gz ZCVFHVLQSBBIPK-WDYCEAGBSA-N 1 0 300.446 3.346 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C(C)(C2CC2)C2CC2)C1 ZINC000711399262 660949710 /nfs/dbraw/zinc/94/97/10/660949710.db2.gz BYSPWQYECQXQMV-JNSHFYNHSA-N 1 0 308.466 3.458 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000711404370 660950020 /nfs/dbraw/zinc/95/00/20/660950020.db2.gz LJQNUMBGWDHTSP-CPCZMJQVSA-N 1 0 318.408 3.315 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000711425237 660951424 /nfs/dbraw/zinc/95/14/24/660951424.db2.gz MRKJKWIQKUATST-VDSRIPIWSA-N 1 0 308.466 3.458 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C2Cc3ccccc3C2)C1 ZINC000711440234 660952268 /nfs/dbraw/zinc/95/22/68/660952268.db2.gz RWSQVGDBVNMRDV-UHFFFAOYSA-N 1 0 316.445 3.047 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000711440526 660952976 /nfs/dbraw/zinc/95/29/76/660952976.db2.gz SXAJNDDZXKCROH-SIWZUTFBSA-N 1 0 316.445 3.219 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@H]2Cc3ccccc32)C1 ZINC000711440518 660953061 /nfs/dbraw/zinc/95/30/61/660953061.db2.gz SXAJNDDZXKCROH-OGVSOVDVSA-N 1 0 316.445 3.219 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC2(F)F)C1 ZINC000711460964 660953930 /nfs/dbraw/zinc/95/39/30/660953930.db2.gz ZXFOYHLUZBDIRS-GRYCIOLGSA-N 1 0 304.381 3.067 10 0 DGAERO C[C@@H]1C[C@H](NCc2nccn2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000711763294 660962479 /nfs/dbraw/zinc/96/24/79/660962479.db2.gz AXXNCYDJUXXNDD-SJLPKXTDSA-N 1 0 324.472 3.361 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]Cc1nccn1C1CC1 ZINC000711817820 660963397 /nfs/dbraw/zinc/96/33/97/660963397.db2.gz OSQLXIZIDLRMQR-UHFFFAOYSA-N 1 0 322.453 3.001 10 0 DGAERO Brc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)o1 ZINC000711833181 660963756 /nfs/dbraw/zinc/96/37/56/660963756.db2.gz MEPWQQDICIHTHV-FZMZJTMJSA-N 1 0 314.223 3.337 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCc2ccsc2)C1 ZINC000711506927 660955825 /nfs/dbraw/zinc/95/58/25/660955825.db2.gz SDSRKOBMNMVPGB-OKILXGFUSA-N 1 0 310.463 3.184 10 0 DGAERO Cc1cc(C[NH2+][C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)on1 ZINC000711642471 660961129 /nfs/dbraw/zinc/96/11/29/660961129.db2.gz VORXQSOMYXCVAX-WMLDXEAASA-N 1 0 321.421 3.005 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3ccns3)CCC[C@@H]12 ZINC000711699041 660961914 /nfs/dbraw/zinc/96/19/14/660961914.db2.gz SVFOPTRPYJGLDT-CJNGLKHVSA-N 1 0 323.462 3.165 10 0 DGAERO c1ccc(CN2CCCC[C@H]2C[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000248755628 655555822 /nfs/dbraw/zinc/55/58/22/655555822.db2.gz CNQAMEZBAKZYOA-RBUKOAKNSA-N 1 0 300.446 3.323 10 0 DGAERO OCCCCCC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000175771580 655560484 /nfs/dbraw/zinc/56/04/84/655560484.db2.gz HNBKJSOFWNLDEJ-UHFFFAOYSA-N 1 0 316.489 3.314 10 0 DGAERO COCc1cc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)ccc1OC ZINC000187845483 655560508 /nfs/dbraw/zinc/56/05/08/655560508.db2.gz SPLGWTYWBWWOTJ-CJNGLKHVSA-N 1 0 307.434 3.450 10 0 DGAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000049948765 655627192 /nfs/dbraw/zinc/62/71/92/655627192.db2.gz RWPFGLCTCNSQPQ-STQMWFEESA-N 1 0 302.187 3.245 10 0 DGAERO CCc1cnc(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000234256022 655656366 /nfs/dbraw/zinc/65/63/66/655656366.db2.gz OYHIMNPPBVSKCP-OCCSQVGLSA-N 1 0 323.437 3.020 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000089431035 655671908 /nfs/dbraw/zinc/67/19/08/655671908.db2.gz YPRYYLWJMAENJW-NXEZZACHSA-N 1 0 322.206 3.342 10 0 DGAERO Clc1ccc(SCc2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000090244265 655674327 /nfs/dbraw/zinc/67/43/27/655674327.db2.gz DRSWEUHIBUDCQZ-JTQLQIEISA-N 1 0 309.822 3.482 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000255283150 655681418 /nfs/dbraw/zinc/68/14/18/655681418.db2.gz GKYBGDOJJXLLHL-XKHVPYPXSA-N 1 0 304.409 3.074 10 0 DGAERO C[C@@](O)(C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000175995453 655690685 /nfs/dbraw/zinc/69/06/85/655690685.db2.gz FHOPPTILVMAVPY-LJQANCHMSA-N 1 0 307.397 3.074 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1Cc1cnc2ccccn12)c1ccccc1 ZINC000160888403 655691933 /nfs/dbraw/zinc/69/19/33/655691933.db2.gz ATGXNGRFIHXTAR-IEBWSBKVSA-N 1 0 321.424 3.422 10 0 DGAERO C[C@H](c1ccccc1Cl)N1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261889432 655692464 /nfs/dbraw/zinc/69/24/64/655692464.db2.gz SOBBPLLGZPIJCD-QAPCUYQASA-N 1 0 321.896 3.018 10 0 DGAERO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723645937 655711283 /nfs/dbraw/zinc/71/12/83/655711283.db2.gz ZDMHDMBVAQGKIG-RSPOEFSDSA-N 1 0 316.489 3.302 10 0 DGAERO CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1)CS(C)(=O)=O ZINC000723850163 655725031 /nfs/dbraw/zinc/72/50/31/655725031.db2.gz KCILGTUACHTEMX-UHFFFAOYSA-N 1 0 324.273 3.154 10 0 DGAERO CC(C)(C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)CS(C)(=O)=O ZINC000723880006 655728009 /nfs/dbraw/zinc/72/80/09/655728009.db2.gz WTUBTSMLYAQRKW-RBSFLKMASA-N 1 0 301.496 3.006 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000176079713 655732179 /nfs/dbraw/zinc/73/21/79/655732179.db2.gz CUIDHHZWVJSLIM-SFHVURJKSA-N 1 0 321.428 3.177 10 0 DGAERO COC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000234561676 655744253 /nfs/dbraw/zinc/74/42/53/655744253.db2.gz BLOGRSOYKHVQEP-UONOGXRCSA-N 1 0 314.470 3.085 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1csc(Cl)c1 ZINC000724344535 655756337 /nfs/dbraw/zinc/75/63/37/655756337.db2.gz WGVVOIAOOBGMRR-QGFIPJAISA-N 1 0 319.879 3.160 10 0 DGAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)C[C@H](C)c2ccccc2)C1 ZINC000255562488 655801275 /nfs/dbraw/zinc/80/12/75/655801275.db2.gz TVBAQTFGRFOKNF-WMZOPIPTSA-N 1 0 319.445 3.080 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccc(Cl)cc1Cl ZINC000724642944 655803095 /nfs/dbraw/zinc/80/30/95/655803095.db2.gz KYKDYMIAVZSQOD-NPZRNVLXSA-N 1 0 316.228 3.448 10 0 DGAERO CCN1CC[C@@H]1C[NH2+][C@H](C)c1sccc1Br ZINC000712573704 661189308 /nfs/dbraw/zinc/18/93/08/661189308.db2.gz VEJWSWXMCPPIMX-NXEZZACHSA-N 1 0 303.269 3.255 10 0 DGAERO Cc1cc(C[NH2+]CCc2sccc2Br)no1 ZINC000713046608 661189763 /nfs/dbraw/zinc/18/97/63/661189763.db2.gz VUMBCEFAOBDSTJ-UHFFFAOYSA-N 1 0 301.209 3.139 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713364163 661191002 /nfs/dbraw/zinc/19/10/02/661191002.db2.gz GCUVNWPZQHAKBI-ZETOZRRWSA-N 1 0 313.228 3.079 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713364639 661191145 /nfs/dbraw/zinc/19/11/45/661191145.db2.gz KPIRLZMZWPMBSV-DGFSRKRXSA-N 1 0 313.228 3.079 10 0 DGAERO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(Cl)cc1Cl ZINC000724909709 655827689 /nfs/dbraw/zinc/82/76/89/655827689.db2.gz KLRRNYHTIDRSBI-JQWIXIFHSA-N 1 0 304.217 3.450 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000724917745 655829596 /nfs/dbraw/zinc/82/95/96/655829596.db2.gz LTFDPLXUVUWWEO-YXMLORGKSA-N 1 0 316.626 3.106 10 0 DGAERO c1cc2c(s1)CCC[C@H]2c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000168459117 655835192 /nfs/dbraw/zinc/83/51/92/655835192.db2.gz GUASCMAPPULLIR-WCQYABFASA-N 1 0 303.431 3.141 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000724973186 655841300 /nfs/dbraw/zinc/84/13/00/655841300.db2.gz AJXBVQQPTYHAFG-YDGIUTOCSA-N 1 0 303.349 3.302 10 0 DGAERO Clc1ccc(CNCc2ncc(Br)s2)cn1 ZINC000309572967 655850464 /nfs/dbraw/zinc/85/04/64/655850464.db2.gz NQTFLWQANCHZJB-UHFFFAOYSA-N 1 0 318.627 3.244 10 0 DGAERO CC(C)C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1Br ZINC000713828734 661194541 /nfs/dbraw/zinc/19/45/41/661194541.db2.gz XVENXUSWGHLQSJ-GFCCVEGCSA-N 1 0 300.244 3.193 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000255591326 655852632 /nfs/dbraw/zinc/85/26/32/655852632.db2.gz UGOGZKHHIZDMRL-OWBHPGMISA-N 1 0 304.409 3.218 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000309870869 655885755 /nfs/dbraw/zinc/88/57/55/655885755.db2.gz REPGFRUYUJGDGQ-MJBXVCDLSA-N 1 0 314.495 3.165 10 0 DGAERO O=C(/C=C\c1ccc(Cl)s1)OCC[NH+]1CCSCC1 ZINC000255643129 655885804 /nfs/dbraw/zinc/88/58/04/655885804.db2.gz HEAUZIHADSGSGF-RQOWECAXSA-N 1 0 317.863 3.007 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1Cl ZINC000714368370 661199231 /nfs/dbraw/zinc/19/92/31/661199231.db2.gz YSFHRBCPISCESR-PWSUYJOCSA-N 1 0 319.829 3.097 10 0 DGAERO C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)s1 ZINC000235517641 655915868 /nfs/dbraw/zinc/91/58/68/655915868.db2.gz XDXKUYWRMIESCB-JOYOIKCWSA-N 1 0 300.855 3.357 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000714701790 661202213 /nfs/dbraw/zinc/20/22/13/661202213.db2.gz SVHDVGRPHZOCQA-OTCDBFHCSA-N 1 0 302.187 3.103 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000714714174 661202521 /nfs/dbraw/zinc/20/25/21/661202521.db2.gz BSDRMBIUWSTNEN-HOMQSWHASA-N 1 0 302.187 3.103 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177568336 655933287 /nfs/dbraw/zinc/93/32/87/655933287.db2.gz XUWRUHFGQRTQJB-HZTRFMAJSA-N 1 0 304.409 3.218 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000177929831 655950475 /nfs/dbraw/zinc/95/04/75/655950475.db2.gz LGUJGQVZHJPWFX-QWHCGFSZSA-N 1 0 313.445 3.254 10 0 DGAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cncc(F)c1 ZINC000715097889 661208204 /nfs/dbraw/zinc/20/82/04/661208204.db2.gz VZDHBWZODTZRBY-XIKARTHZSA-N 1 0 323.412 3.175 10 0 DGAERO C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1cccc(Cl)c1Cl ZINC000715220637 661209044 /nfs/dbraw/zinc/20/90/44/661209044.db2.gz PDBGHEJRSBIRFJ-IDKOKCKLSA-N 1 0 322.257 3.220 10 0 DGAERO Brc1ccc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)o1 ZINC000715436417 661211114 /nfs/dbraw/zinc/21/11/14/661211114.db2.gz CXOOWFCFDPVCDZ-PWSUYJOCSA-N 1 0 300.196 3.089 10 0 DGAERO CC(C)OCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000168887456 656010490 /nfs/dbraw/zinc/01/04/90/656010490.db2.gz OJDFZGZIQQNWAR-ZDUSSCGKSA-N 1 0 314.223 3.287 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC[C@@H]2CCCS2)CC1 ZINC000715644367 661213510 /nfs/dbraw/zinc/21/35/10/661213510.db2.gz RIKGSSNMNSKTDA-AWEZNQCLSA-N 1 0 314.495 3.261 10 0 DGAERO Brc1cncc(C[NH2+]CC[C@@H]2CCCS2)c1 ZINC000715863789 661215155 /nfs/dbraw/zinc/21/51/55/661215155.db2.gz KCRLBGAUOBECCE-LBPRGKRZSA-N 1 0 301.253 3.219 10 0 DGAERO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccns1 ZINC000716019584 661216867 /nfs/dbraw/zinc/21/68/67/661216867.db2.gz ISDQUBALRPFIGW-RYUDHWBXSA-N 1 0 313.467 3.487 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cn1cnc2cc(C)c(C)cc21 ZINC000176081403 656068462 /nfs/dbraw/zinc/06/84/62/656068462.db2.gz ASGLHRDNPOZTSX-QGZVFWFLSA-N 1 0 323.444 3.280 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1cc(C)cc(C)c1 ZINC000178336679 656092024 /nfs/dbraw/zinc/09/20/24/656092024.db2.gz ZJOYWBTWDJLQLG-MOPGFXCFSA-N 1 0 313.445 3.006 10 0 DGAERO COC[C@@H]([NH2+]CCSC(F)(F)F)c1ccc(F)c(F)c1 ZINC000182524736 656106429 /nfs/dbraw/zinc/10/64/29/656106429.db2.gz FVLKEQWQNSAADH-LLVKDONJSA-N 1 0 315.307 3.495 10 0 DGAERO COCCCCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183174584 656111258 /nfs/dbraw/zinc/11/12/58/656111258.db2.gz QDSGBMVPBGJJLZ-KRWDZBQOSA-N 1 0 305.418 3.011 10 0 DGAERO O=C(C[C@@H]1CCCCO1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183200853 656111323 /nfs/dbraw/zinc/11/13/23/656111323.db2.gz XTDVCFFQPXHGNR-ZWKOTPCHSA-N 1 0 317.429 3.153 10 0 DGAERO Cc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c(C)c1 ZINC000309688565 656114116 /nfs/dbraw/zinc/11/41/16/656114116.db2.gz SPJKAZRFSHPZKY-SREVYHEPSA-N 1 0 304.434 3.474 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000236681203 656115410 /nfs/dbraw/zinc/11/54/10/656115410.db2.gz XSGFQOBWUNSSPQ-XIRDDKMYSA-N 1 0 300.446 3.001 10 0 DGAERO Clc1ccc(OCCCCCCNC2=[NH+]CCCN2)cc1 ZINC000183889025 656115505 /nfs/dbraw/zinc/11/55/05/656115505.db2.gz HNODHLSPVSNROG-UHFFFAOYSA-N 1 0 309.841 3.218 10 0 DGAERO CSC1(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCC1 ZINC000309867986 656123749 /nfs/dbraw/zinc/12/37/49/656123749.db2.gz OEZXANFYECDDTH-GFCCVEGCSA-N 1 0 302.484 3.117 10 0 DGAERO CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000309902628 656125777 /nfs/dbraw/zinc/12/57/77/656125777.db2.gz PIKDMBHGYMVRRD-ZIAGYGMSSA-N 1 0 322.449 3.477 10 0 DGAERO CCCCC[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189035151 656151014 /nfs/dbraw/zinc/15/10/14/656151014.db2.gz VFQKLOINJLCNTJ-YOEHRIQHSA-N 1 0 306.425 3.485 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(F)ccc1Br ZINC000716884538 661230057 /nfs/dbraw/zinc/23/00/57/661230057.db2.gz IUOHDTJNHMTENE-JOYOIKCWSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cncc(Br)c1 ZINC000716885008 661230087 /nfs/dbraw/zinc/23/00/87/661230087.db2.gz JYDSPIDBJBJCER-OPQQBVKSSA-N 1 0 301.228 3.044 10 0 DGAERO CCCOc1ccc(C[NH2+]CC2(C)OCCCO2)cc1OCC ZINC000192250473 656177365 /nfs/dbraw/zinc/17/73/65/656177365.db2.gz ZUNYPCYDOKXQAX-UHFFFAOYSA-N 1 0 323.433 3.117 10 0 DGAERO C/C(=C/c1ccccc1Cl)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000299737432 656222538 /nfs/dbraw/zinc/22/25/38/656222538.db2.gz KYTWNJOESDOGJG-BMOGTNHUSA-N 1 0 304.821 3.050 10 0 DGAERO O[C@H](C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC000313544814 656290504 /nfs/dbraw/zinc/29/05/04/656290504.db2.gz CTMPRFHWGZYWLH-LEWJYISDSA-N 1 0 324.468 3.364 10 0 DGAERO [NH3+][C@H]1CN(Cc2cc(Cl)ccc2F)CC[C@H]1C(F)(F)F ZINC000717152216 661255775 /nfs/dbraw/zinc/25/57/75/661255775.db2.gz JWJKUHYHAYVPOH-PWSUYJOCSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@H]1CN(Cc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000717155225 661255996 /nfs/dbraw/zinc/25/59/96/661255996.db2.gz SACLIQXTFIVDSA-SKDRFNHKSA-N 1 0 310.722 3.191 10 0 DGAERO O[C@H](CC[NH2+]Cc1ccc(CSC(F)F)o1)C(F)(F)F ZINC000717411915 661264535 /nfs/dbraw/zinc/26/45/35/661264535.db2.gz CXKMVUQEGXYCFE-SECBINFHSA-N 1 0 319.295 3.138 10 0 DGAERO c1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1 ZINC000723650857 656498350 /nfs/dbraw/zinc/49/83/50/656498350.db2.gz LDLXFYMQCZOFMO-IYWMVGAKSA-N 1 0 314.473 3.056 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000723954245 656504869 /nfs/dbraw/zinc/50/48/69/656504869.db2.gz XROQVBUQOOUDND-AQNXPRMDSA-N 1 0 316.489 3.446 10 0 DGAERO O=C(C[NH2+]C1(C2CC2)CCC1)Nc1ccc(Br)cc1 ZINC000717847248 661270376 /nfs/dbraw/zinc/27/03/76/661270376.db2.gz BVMBNVLPTNEIIO-UHFFFAOYSA-N 1 0 323.234 3.310 10 0 DGAERO CC(C)O[C@@]1(C[NH2+]Cc2ccc(F)cc2Cl)CCOC1 ZINC000722357208 656510164 /nfs/dbraw/zinc/51/01/64/656510164.db2.gz NJUPILQITTVAEN-OAHLLOKOSA-N 1 0 301.789 3.153 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(Cl)c1Cl ZINC000724621998 656524493 /nfs/dbraw/zinc/52/44/93/656524493.db2.gz ZUDDZLOEDDRLBU-PUHVVEEASA-N 1 0 316.228 3.448 10 0 DGAERO C[C@@H](NCc1cc(Br)ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000722376656 656614572 /nfs/dbraw/zinc/61/45/72/656614572.db2.gz JAQRMWDZMDUDCN-ZJUUUORDSA-N 1 0 317.658 3.190 10 0 DGAERO CC(C)(C)c1csc(C[NH2+][C@H](CO)Cc2ccccc2)n1 ZINC000094965970 656924828 /nfs/dbraw/zinc/92/48/28/656924828.db2.gz LLAGCNVUJMYANO-AWEZNQCLSA-N 1 0 304.459 3.134 10 0 DGAERO [NH3+][C@@H]1CC[C@H]2CN(CCOc3c(Cl)cccc3Cl)C[C@H]12 ZINC000261641907 656940449 /nfs/dbraw/zinc/94/04/49/656940449.db2.gz CJEIXRSSZBKNES-COPLHBTASA-N 1 0 315.244 3.041 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000261795232 657101846 /nfs/dbraw/zinc/10/18/46/657101846.db2.gz QKITXLFMXMDWPT-IAGOWNOFSA-N 1 0 324.424 3.206 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000261888532 657161952 /nfs/dbraw/zinc/16/19/52/657161952.db2.gz NKAGDNFVYCUXDW-OAHLLOKOSA-N 1 0 313.401 3.422 10 0 DGAERO C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000261973923 657269078 /nfs/dbraw/zinc/26/90/78/657269078.db2.gz QLJCRDOBLVEULK-WDEREUQCSA-N 1 0 315.339 3.215 10 0 DGAERO Cc1ccccc1[C@@H]1CCC[N@@H+]1CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000249711644 657422788 /nfs/dbraw/zinc/42/27/88/657422788.db2.gz XGIWYBLHXYGBGW-BZSNNMDCSA-N 1 0 324.424 3.041 10 0 DGAERO CO[C@@H]1C[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC[C@@H]1C ZINC000251935654 657552038 /nfs/dbraw/zinc/55/20/38/657552038.db2.gz UGLJUDOHSPPUNA-XGWLTEMNSA-N 1 0 322.836 3.190 10 0 DGAERO CN(C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000262410821 657552336 /nfs/dbraw/zinc/55/23/36/657552336.db2.gz DCPUJDAQEVFSHK-CYBMUJFWSA-N 1 0 315.339 3.311 10 0 DGAERO CO[C@@H]1C[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC[C@H]1C ZINC000251935652 657552436 /nfs/dbraw/zinc/55/24/36/657552436.db2.gz UGLJUDOHSPPUNA-ISTRZQFTSA-N 1 0 322.836 3.190 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](c2nc(Cc3cccc(Br)c3)no2)C1 ZINC000097067879 657591815 /nfs/dbraw/zinc/59/18/15/657591815.db2.gz HOOWGXGIMRDTNS-ZYHUDNBSSA-N 1 0 322.206 3.018 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CCc2ccccc2C1)N(C)C(=O)OC(C)(C)C ZINC000304238965 657611853 /nfs/dbraw/zinc/61/18/53/657611853.db2.gz CRHAPSPSGXEFIY-RHSMWYFYSA-N 1 0 318.461 3.389 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)oc1C ZINC000188499058 657777490 /nfs/dbraw/zinc/77/74/90/657777490.db2.gz HQTAINWEAIGMRO-ZIAGYGMSSA-N 1 0 323.437 3.074 10 0 DGAERO C[C@H]1C[C@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000720658533 658055885 /nfs/dbraw/zinc/05/58/85/658055885.db2.gz DSFXLLKIXYAASC-QQOZWVEPSA-N 1 0 308.466 3.410 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2cc(F)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000720878783 658154661 /nfs/dbraw/zinc/15/46/61/658154661.db2.gz UBVFAGHVBNOIIL-JOYOIKCWSA-N 1 0 310.722 3.048 10 0 DGAERO Cc1cc(Cl)ccc1CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878816 658154739 /nfs/dbraw/zinc/15/47/39/658154739.db2.gz UOVJVOWWAFOWKE-DGCLKSJQSA-N 1 0 306.759 3.217 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720877530 658155065 /nfs/dbraw/zinc/15/50/65/658155065.db2.gz PWCZANHYMUKMOA-XWIASGKRSA-N 1 0 306.759 3.470 10 0 DGAERO C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccncc1 ZINC000721865675 658240947 /nfs/dbraw/zinc/24/09/47/658240947.db2.gz DBAQWXSMZVRJSJ-HIFRSBDPSA-N 1 0 319.449 3.378 10 0 DGAERO C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1cccnc1 ZINC000721872114 658310215 /nfs/dbraw/zinc/31/02/15/658310215.db2.gz LZKRDTOQGAMNBA-HIFRSBDPSA-N 1 0 319.449 3.378 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc(Cl)c(Cl)c1 ZINC000721022442 658397791 /nfs/dbraw/zinc/39/77/91/658397791.db2.gz ODPFVLULWINJPR-GCDPNZCJSA-N 1 0 313.228 3.026 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc(Cl)cc1Cl ZINC000721022495 658398230 /nfs/dbraw/zinc/39/82/30/658398230.db2.gz OIYKUPMJJTWVCN-PKINLEFWSA-N 1 0 313.228 3.026 10 0 DGAERO CC(C)n1ccc([C@H]2[NH2+]C[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC000536959323 658652375 /nfs/dbraw/zinc/65/23/75/658652375.db2.gz JEQMUDVRWVWCKB-CRAIPNDOSA-N 1 0 319.449 3.341 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000721866902 658756048 /nfs/dbraw/zinc/75/60/48/658756048.db2.gz BWOBISBUVDOQNZ-NSHDSACASA-N 1 0 316.214 3.181 10 0 DGAERO CC(C)NC(=O)[C@H](C)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722113751 658775867 /nfs/dbraw/zinc/77/58/67/658775867.db2.gz KVIDTBKSOGJSBO-JTQLQIEISA-N 1 0 303.233 3.039 10 0 DGAERO Clc1cccc(Cl)c1Cc1noc([C@H]2CCC[NH2+]C2)n1 ZINC000044265871 658876474 /nfs/dbraw/zinc/87/64/74/658876474.db2.gz UQJJSDTWHVGGFH-VIFPVBQESA-N 1 0 312.200 3.434 10 0 DGAERO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccn(C)c1 ZINC000225912733 659087153 /nfs/dbraw/zinc/08/71/53/659087153.db2.gz ZKBQVWQXWZWKTD-KRWDZBQOSA-N 1 0 309.454 3.054 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCCSC1)c1cccc(C(F)(F)F)c1 ZINC000167461880 659090878 /nfs/dbraw/zinc/09/08/78/659090878.db2.gz VXXLVQHQIXWOOD-QWHCGFSZSA-N 1 0 305.365 3.224 10 0 DGAERO Cc1nc([C@H](C)[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)cs1 ZINC000227581430 659157727 /nfs/dbraw/zinc/15/77/27/659157727.db2.gz MALFBUGUGYPKLO-GCVQQVDUSA-N 1 0 311.451 3.158 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000227602235 659158294 /nfs/dbraw/zinc/15/82/94/659158294.db2.gz ZENYNVYFKNPINS-UHFFFAOYSA-N 1 0 303.406 3.172 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000227757274 659163194 /nfs/dbraw/zinc/16/31/94/659163194.db2.gz SJQLRBKQDNQQAH-DKRLNXSXSA-N 1 0 316.445 3.214 10 0 DGAERO Cc1sc(C[NH2+][C@H]2CCCC[C@H]2O)cc1Br ZINC000227825992 659165205 /nfs/dbraw/zinc/16/52/05/659165205.db2.gz QZFHLSRABRWCLU-NWDGAFQWSA-N 1 0 304.253 3.212 10 0 DGAERO Cc1sc(C[NH2+]CC[C@H](C)[S@@](C)=O)cc1Br ZINC000227853841 659166633 /nfs/dbraw/zinc/16/66/33/659166633.db2.gz ZSHHBZLOXDJTRG-ZKANADHPSA-N 1 0 324.309 3.066 10 0 DGAERO Cc1nc([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c(C)s1 ZINC000228260358 659184395 /nfs/dbraw/zinc/18/43/95/659184395.db2.gz HVZSDWADTCJFSF-JTQLQIEISA-N 1 0 313.467 3.325 10 0 DGAERO CN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1CCC([NH3+])CC1 ZINC000228390326 659190429 /nfs/dbraw/zinc/19/04/29/659190429.db2.gz DDXIATZOQKJJAJ-FIYWTHMPSA-N 1 0 306.372 3.083 10 0 DGAERO CC(C)COC1CC[NH+](Cn2nccc2-c2cccnc2)CC1 ZINC000170637886 659222724 /nfs/dbraw/zinc/22/27/24/659222724.db2.gz WTIIMOSCJUCFCR-UHFFFAOYSA-N 1 0 314.433 3.040 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000229072971 659234624 /nfs/dbraw/zinc/23/46/24/659234624.db2.gz OVDGYWWZRFNVFZ-HZPDHXFCSA-N 1 0 304.434 3.470 10 0 DGAERO CC[N@@H+](Cc1ccccc1)Cn1cnc2c1ncnc2NC(C)C ZINC000170902228 659246441 /nfs/dbraw/zinc/24/64/41/659246441.db2.gz QHESTDFECIDZAF-UHFFFAOYSA-N 1 0 324.432 3.126 10 0 DGAERO FC(F)Sc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171620591 659292033 /nfs/dbraw/zinc/29/20/33/659292033.db2.gz ZIFMDDUJOSHZNM-CYBMUJFWSA-N 1 0 324.400 3.430 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+]CCc1ccccc1)C1CC1 ZINC000232008309 659408090 /nfs/dbraw/zinc/40/80/90/659408090.db2.gz SUTDTTSIXZVCHS-UHFFFAOYSA-N 1 0 304.434 3.218 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@]1(C)CCCS1 ZINC000232504657 659434592 /nfs/dbraw/zinc/43/45/92/659434592.db2.gz HPPQNHZLDPMPNN-XJKSGUPXSA-N 1 0 314.495 3.261 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccoc1)C1CCCC1 ZINC000232503710 659434744 /nfs/dbraw/zinc/43/47/44/659434744.db2.gz QECKGIDMGGKSGN-HNNXBMFYSA-N 1 0 308.422 3.453 10 0 DGAERO Cc1cc(C)cc([C@@H](O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000174665057 659473695 /nfs/dbraw/zinc/47/36/95/659473695.db2.gz PPUFHFYIMFIMHU-KRWDZBQOSA-N 1 0 313.397 3.198 10 0 DGAERO C[C@H](NC(=O)c1ccnc(C[NH3+])c1)c1ccc(C(C)(C)C)cc1 ZINC000261679177 659549591 /nfs/dbraw/zinc/54/95/91/659549591.db2.gz HWYMFNSWBSFCDQ-ZDUSSCGKSA-N 1 0 311.429 3.329 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cncs1 ZINC000721971621 659577923 /nfs/dbraw/zinc/57/79/23/659577923.db2.gz IYFATVZHHRQZLN-IJLUTSLNSA-N 1 0 311.451 3.049 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000068080026 659937936 /nfs/dbraw/zinc/93/79/36/659937936.db2.gz BOXMADIVADIMJZ-LBPRGKRZSA-N 1 0 319.836 3.348 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)CCC2 ZINC000353504173 659991049 /nfs/dbraw/zinc/99/10/49/659991049.db2.gz QORPXNVUYQJSFM-IEBWSBKVSA-N 1 0 324.472 3.431 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000181386665 659997591 /nfs/dbraw/zinc/99/75/91/659997591.db2.gz TYGXYRYUHYGMNX-BXUZGUMPSA-N 1 0 306.793 3.128 10 0 DGAERO C[C@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCCN1Cc1ccccc1 ZINC000353671902 660017325 /nfs/dbraw/zinc/01/73/25/660017325.db2.gz MJBREAJKXRTDDG-AZUAARDMSA-N 1 0 324.472 3.431 10 0 DGAERO Cc1cncc(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000183188635 660104042 /nfs/dbraw/zinc/10/40/42/660104042.db2.gz MDUXZGNVPXGBNW-GOSISDBHSA-N 1 0 310.397 3.211 10 0 DGAERO CC1([C@@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)OCCO1 ZINC000183239634 660105864 /nfs/dbraw/zinc/10/58/64/660105864.db2.gz KQGKKIHYKZQWIW-QGZVFWFLSA-N 1 0 312.413 3.210 10 0 DGAERO CSCCCCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000184178493 660157910 /nfs/dbraw/zinc/15/79/10/660157910.db2.gz MXNOSKLCISMAHH-UHFFFAOYSA-N 1 0 302.447 3.219 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1C ZINC000929512893 661314304 /nfs/dbraw/zinc/31/43/04/661314304.db2.gz MPOFXLBSYQDTBG-OAHLLOKOSA-N 1 0 315.417 3.150 10 0 DGAERO S=C(Nc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000044190945 661856532 /nfs/dbraw/zinc/85/65/32/661856532.db2.gz BIVPJIXKBBNYET-UHFFFAOYSA-N 1 0 303.475 3.191 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)CC[C@H]1C ZINC000189287472 661972268 /nfs/dbraw/zinc/97/22/68/661972268.db2.gz GUEFMKHPZBVTLK-KZULUSFZSA-N 1 0 315.413 3.267 10 0 DGAERO CC(C)COC1CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000077459463 662027789 /nfs/dbraw/zinc/02/77/89/662027789.db2.gz LXABQAQDTOFBLC-UHFFFAOYSA-N 1 0 323.387 3.409 10 0 DGAERO C[C@](CO)([NH2+]C[C@H](O)c1ccccc1Cl)C1CCCCC1 ZINC000077656046 662035371 /nfs/dbraw/zinc/03/53/71/662035371.db2.gz HVGDLQNMLDOZTK-DLBZAZTESA-N 1 0 311.853 3.294 10 0 DGAERO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000190658345 662039714 /nfs/dbraw/zinc/03/97/14/662039714.db2.gz ZWDXBWZFJKTXHO-DLBZAZTESA-N 1 0 319.445 3.113 10 0 DGAERO CCOC1CC(CC(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000191103546 662054362 /nfs/dbraw/zinc/05/43/62/662054362.db2.gz MVMCTGSLFOUVRV-ADKAHSJRSA-N 1 0 317.429 3.009 10 0 DGAERO C[NH+](C)CC1CCN(c2ccc(NCc3cocn3)cc2)CC1 ZINC000192333089 662095469 /nfs/dbraw/zinc/09/54/69/662095469.db2.gz ZMKKBJPVYWKKDO-UHFFFAOYSA-N 1 0 314.433 3.065 10 0 DGAERO CC(C)[C@@H](C)[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000192909073 662115629 /nfs/dbraw/zinc/11/56/29/662115629.db2.gz DOTPEIFYCIXQHB-OAHLLOKOSA-N 1 0 304.434 3.422 10 0 DGAERO CCCCC[C@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193031960 662121290 /nfs/dbraw/zinc/12/12/90/662121290.db2.gz GLPPHBSSFYDAGC-INIZCTEOSA-N 1 0 309.498 3.473 10 0 DGAERO CC[N@H+](CN1C(=O)CN(c2ccccc2)C1=O)C1CCCCC1 ZINC000079849137 662123239 /nfs/dbraw/zinc/12/32/39/662123239.db2.gz XDRVHGVAYMQUMJ-UHFFFAOYSA-N 1 0 315.417 3.067 10 0 DGAERO CSc1ccc(C[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC000193160093 662124966 /nfs/dbraw/zinc/12/49/66/662124966.db2.gz HQHPMKBEVLSYSJ-UHFFFAOYSA-N 1 0 307.459 3.431 10 0 DGAERO CC[C@H](C)c1ccc(NC(=O)CN2CCC([NH+](C)C)CC2)cc1 ZINC000193232767 662127373 /nfs/dbraw/zinc/12/73/73/662127373.db2.gz GVYKVBLIEJHRLT-HNNXBMFYSA-N 1 0 317.477 3.165 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C[C@H]2CCC=CO2)C2CC2)c1 ZINC000193691978 662145786 /nfs/dbraw/zinc/14/57/86/662145786.db2.gz XGODTMPPCDFHDP-QGZVFWFLSA-N 1 0 303.402 3.361 10 0 DGAERO C[N@H+](CCC(=O)NCC1CCCCC1)Cc1ccc(Cl)nc1 ZINC000080913511 662155690 /nfs/dbraw/zinc/15/56/90/662155690.db2.gz IYNUOPSRRZMISK-UHFFFAOYSA-N 1 0 323.868 3.253 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)nc2C)[C@H](C)C1 ZINC000194583174 662169207 /nfs/dbraw/zinc/16/92/07/662169207.db2.gz XQXGKTUXPAJEFU-BXUZGUMPSA-N 1 0 324.856 3.237 10 0 DGAERO Cc1cc[nH+]c(NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000195192053 662179716 /nfs/dbraw/zinc/17/97/16/662179716.db2.gz ZBOYWTDAUYTYSG-QGZVFWFLSA-N 1 0 305.422 3.449 10 0 DGAERO COCCOCCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717941547 662211175 /nfs/dbraw/zinc/21/11/75/662211175.db2.gz DDXMUWZLDPLHHN-JTQLQIEISA-N 1 0 311.369 3.471 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000245883076 662243276 /nfs/dbraw/zinc/24/32/76/662243276.db2.gz LEOHILGPKBWEOM-NJAFHUGGSA-N 1 0 321.461 3.158 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000245883080 662243398 /nfs/dbraw/zinc/24/33/98/662243398.db2.gz LEOHILGPKBWEOM-NXHRZFHOSA-N 1 0 321.461 3.158 10 0 DGAERO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000718506092 662257239 /nfs/dbraw/zinc/25/72/39/662257239.db2.gz ZHJCOCNCNVVVQU-AFPNSQJFSA-N 1 0 319.207 3.437 10 0 DGAERO COCC(C)(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000718710773 662260350 /nfs/dbraw/zinc/26/03/50/662260350.db2.gz UNJCJDOGLDQHRN-AEFFLSMTSA-N 1 0 304.478 3.302 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC000718731177 662260962 /nfs/dbraw/zinc/26/09/62/662260962.db2.gz FTDZDLXJVLJPQV-SOUVJXGZSA-N 1 0 314.470 3.179 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000718737361 662261107 /nfs/dbraw/zinc/26/11/07/662261107.db2.gz UPRRTWJFVSMCOG-RRFJBIMHSA-N 1 0 314.470 3.227 10 0 DGAERO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)CC1 ZINC000718766757 662261330 /nfs/dbraw/zinc/26/13/30/662261330.db2.gz VMPQTVDUDJLHMI-MJGOQNOKSA-N 1 0 313.445 3.369 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000718766548 662261396 /nfs/dbraw/zinc/26/13/96/662261396.db2.gz XPYNNJNWHIVVNU-LJISPDSOSA-N 1 0 314.470 3.225 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000718778439 662261684 /nfs/dbraw/zinc/26/16/84/662261684.db2.gz RSFAAUDZQOULLO-IJXRJRJASA-N 1 0 316.489 3.444 10 0 DGAERO C[C@@H]1CC[C@@H](CCC(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000246638620 662268489 /nfs/dbraw/zinc/26/84/89/662268489.db2.gz VLCFBCFHHDIQNU-NJAFHUGGSA-N 1 0 317.429 3.152 10 0 DGAERO Cc1nc(C[NH2+]CC(C)(C)CCCO)sc1Br ZINC000719225680 662271494 /nfs/dbraw/zinc/27/14/94/662271494.db2.gz XUWUDBOTQVANHY-UHFFFAOYSA-N 1 0 321.284 3.102 10 0 DGAERO CCC[C@H](C[NH2+]Cc1nc(C)c(Br)s1)OC ZINC000719215122 662271514 /nfs/dbraw/zinc/27/15/14/662271514.db2.gz FSLPUYHPVBQBDN-SECBINFHSA-N 1 0 307.257 3.119 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H](O)CC(C)(C)C)sc1Br ZINC000719218653 662271610 /nfs/dbraw/zinc/27/16/10/662271610.db2.gz CHGUNALNAMDYML-VIFPVBQESA-N 1 0 321.284 3.101 10 0 DGAERO CSC1CC([NH2+]Cc2nc(C)c(Br)s2)C1 ZINC000719274428 662272218 /nfs/dbraw/zinc/27/22/18/662272218.db2.gz ORFSEOZGFSWCIH-UHFFFAOYSA-N 1 0 307.282 3.198 10 0 DGAERO OCC[C@@H]1CCN(Cc2cccc(Cl)c2Br)C1 ZINC000719393237 662281323 /nfs/dbraw/zinc/28/13/23/662281323.db2.gz RJSMIXYUOKCGKG-JTQLQIEISA-N 1 0 318.642 3.307 10 0 DGAERO C[C@@](CO)([NH2+]Cc1ccccc1)c1cccc(Br)c1 ZINC000038110821 662290042 /nfs/dbraw/zinc/29/00/42/662290042.db2.gz OTLJRKDRIFNPLG-INIZCTEOSA-N 1 0 320.230 3.446 10 0 DGAERO Cc1ccc(C[NH2+]CCCCCO)c(C)c1Br ZINC000719532653 662291635 /nfs/dbraw/zinc/29/16/35/662291635.db2.gz DPVDMVMPOGQEMP-UHFFFAOYSA-N 1 0 300.240 3.318 10 0 DGAERO Cc1ccc(C[NH2+]CCC2(CO)CC2)c(C)c1Br ZINC000719557527 662291933 /nfs/dbraw/zinc/29/19/33/662291933.db2.gz VMQRWHRAMHVRQE-UHFFFAOYSA-N 1 0 312.251 3.318 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)sc1C ZINC000719560630 662292655 /nfs/dbraw/zinc/29/26/55/662292655.db2.gz BOQROOPVTUZANO-ZDUSSCGKSA-N 1 0 312.504 3.294 10 0 DGAERO C[C@H]1[C@H](Nc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000719758968 662296673 /nfs/dbraw/zinc/29/66/73/662296673.db2.gz FZQKESJIBVBPMI-WCBMZHEXSA-N 1 0 310.195 3.095 10 0 DGAERO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1ccco1 ZINC000720077376 662301555 /nfs/dbraw/zinc/30/15/55/662301555.db2.gz JEHJPBDDPFFHHV-KRWDZBQOSA-N 1 0 312.413 3.406 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000720161880 662305892 /nfs/dbraw/zinc/30/58/92/662305892.db2.gz ZDRYXRWWNBWBCC-UWVGGRQHSA-N 1 0 301.228 3.308 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(Br)cc1F ZINC000720194774 662306214 /nfs/dbraw/zinc/30/62/14/662306214.db2.gz KWZWDWLEYVAIJL-VIFPVBQESA-N 1 0 304.203 3.491 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1F ZINC000720194772 662306236 /nfs/dbraw/zinc/30/62/36/662306236.db2.gz KWZWDWLEYVAIJL-SECBINFHSA-N 1 0 304.203 3.491 10 0 DGAERO Clc1ncccc1CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000091630435 662311918 /nfs/dbraw/zinc/31/19/18/662311918.db2.gz ORAMMXBPRMXQJT-CYBMUJFWSA-N 1 0 317.824 3.041 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/Sc2ccccc2)C1 ZINC000247438831 662317985 /nfs/dbraw/zinc/31/79/85/662317985.db2.gz RVZBCSRFVDSRSC-UFXRLHEYSA-N 1 0 304.459 3.137 10 0 DGAERO O[C@@H](C[N@H+](C[C@H]1CCCO1)C1CCCC1)c1ccccc1F ZINC000247684334 662327066 /nfs/dbraw/zinc/32/70/66/662327066.db2.gz USQGTVFDOOTAKB-QAPCUYQASA-N 1 0 307.409 3.283 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CSC(C)(C)C ZINC000248927172 662362009 /nfs/dbraw/zinc/36/20/09/662362009.db2.gz XIOMRQSTPFURIW-GDBMZVCRSA-N 1 0 320.502 3.155 10 0 DGAERO C[C@H]1c2sccc2CC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000712313152 685275391 /nfs/dbraw/zinc/27/53/91/685275391.db2.gz HBHFUXZPZIPMFI-YOEHRIQHSA-N 1 0 317.454 3.245 10 0 DGAERO C[C@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCCCO1 ZINC000379178667 685147174 /nfs/dbraw/zinc/14/71/74/685147174.db2.gz ODZARGORIGCSCS-UONOGXRCSA-N 1 0 314.470 3.227 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000381948174 685161043 /nfs/dbraw/zinc/16/10/43/685161043.db2.gz APGGDZBCMDSGEY-AALSBFMBSA-N 1 0 308.466 3.458 10 0 DGAERO Cc1cc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C)on1 ZINC000382033066 685161599 /nfs/dbraw/zinc/16/15/99/685161599.db2.gz FFCLBOALUHJLFH-CYBMUJFWSA-N 1 0 311.426 3.012 10 0 DGAERO CSCCCC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000382405590 685163637 /nfs/dbraw/zinc/16/36/37/685163637.db2.gz ANLWEWGDIJVXSL-KGLIPLIRSA-N 1 0 316.511 3.413 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(F)F ZINC000390094773 685199144 /nfs/dbraw/zinc/19/91/44/685199144.db2.gz LPLBNDAEYFJFCI-GFCCVEGCSA-N 1 0 306.397 3.411 10 0 DGAERO C[N@H+]1CC=C(CNc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000392855352 685216426 /nfs/dbraw/zinc/21/64/26/685216426.db2.gz HIDVHWZRYQCJAG-UHFFFAOYSA-N 1 0 305.731 3.428 10 0 DGAERO [NH3+]C1(CC(=O)Nc2ccc3cc(Br)ccc3c2)CC1 ZINC000398154305 685235138 /nfs/dbraw/zinc/23/51/38/685235138.db2.gz FRYZZODLMQTZLJ-UHFFFAOYSA-N 1 0 319.202 3.422 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC1(F)F ZINC000398107411 685235693 /nfs/dbraw/zinc/23/56/93/685235693.db2.gz BYNXMFKTYCGCKJ-AVGNSLFASA-N 1 0 318.408 3.457 10 0 DGAERO CCC[N@H+](CC)CCNCc1ccsc1Br ZINC000388957801 1176015823 /nfs/dbraw/zinc/01/58/23/1176015823.db2.gz DGEHZVJAERCRAS-UHFFFAOYSA-N 1 0 305.285 3.332 10 0 DGAERO CC[C@H](C)[NH+]1CCN(Cc2ccsc2Br)CC1 ZINC000389005039 1176032641 /nfs/dbraw/zinc/03/26/41/1176032641.db2.gz UXMAIIPAESBVTJ-NSHDSACASA-N 1 0 317.296 3.427 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](ONC(=O)OC(C)(C)C)C(C)C)C1CC1 ZINC000398867746 1176095764 /nfs/dbraw/zinc/09/57/64/1176095764.db2.gz NZKXIYVMHWAQDS-ZIAGYGMSSA-N 1 0 300.443 3.246 10 0 DGAERO C[C@H](N)c1nc(C(=O)N2CCCCc3ccccc32)cs1 ZINC000090957635 1176258379 /nfs/dbraw/zinc/25/83/79/1176258379.db2.gz VMFFVYGQABIHCG-NSHDSACASA-N 1 0 301.415 3.146 10 0 DGAERO CC(C)CC[NH2+]Cc1ccc(I)cc1 ZINC000083849089 1176298220 /nfs/dbraw/zinc/29/82/20/1176298220.db2.gz ZUDCKMRUMSRJTO-UHFFFAOYSA-N 1 0 303.187 3.427 10 0 DGAERO COc1cc(C[NH2+]C/C=C\C2CC2)cc(Br)c1O ZINC000394097167 1176733405 /nfs/dbraw/zinc/73/34/05/1176733405.db2.gz OSHSJKPXLHFSMM-IHWYPQMZSA-N 1 0 312.207 3.219 10 0 DGAERO CCC(CC)(CC)C[NH2+]Cc1nn(C)cc1Br ZINC000395137088 1176758217 /nfs/dbraw/zinc/75/82/17/1176758217.db2.gz IUICIOPKFWUKEP-UHFFFAOYSA-N 1 0 302.260 3.489 10 0 DGAERO C[C@H]1CN(Cc2cccc(F)c2N)CC[N@@H+]1Cc1ccccc1 ZINC000396354395 1176793304 /nfs/dbraw/zinc/79/33/04/1176793304.db2.gz BLWVZECIMPYMFN-HNNXBMFYSA-N 1 0 313.420 3.114 10 0 DGAERO CSCCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397852769 1177013094 /nfs/dbraw/zinc/01/30/94/1177013094.db2.gz VKLAHKXVIPVJNN-NEPJUHHUSA-N 1 0 302.484 3.021 10 0 DGAERO COCc1ccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)cc1 ZINC000397874984 1177013447 /nfs/dbraw/zinc/01/34/47/1177013447.db2.gz VJDGJZZKCLLSRR-UHFFFAOYSA-N 1 0 322.449 3.228 10 0 DGAERO CCC[C@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000382161331 1177027892 /nfs/dbraw/zinc/02/78/92/1177027892.db2.gz SVBDLDDMVMISKE-ZIAGYGMSSA-N 1 0 302.459 3.085 10 0 DGAERO CC1(C)C[C@@H]1C[NH2+]Cc1cccc(I)c1 ZINC000308807292 1177081189 /nfs/dbraw/zinc/08/11/89/1177081189.db2.gz PFQWVGHXDDABFT-LLVKDONJSA-N 1 0 315.198 3.427 10 0 DGAERO Brc1cnc(C[NH2+]CCc2cccs2)s1 ZINC000308870140 1177083142 /nfs/dbraw/zinc/08/31/42/1177083142.db2.gz YPRXVDPQYMPHCA-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)c(F)c1 ZINC000088083988 1177221251 /nfs/dbraw/zinc/22/12/51/1177221251.db2.gz UADDVHFQAIZGAJ-BXKDBHETSA-N 1 0 315.186 3.044 10 0 DGAERO Oc1ccc(Br)c(C[NH2+]CC[C@H]2CCCCO2)c1 ZINC000315235302 1177427299 /nfs/dbraw/zinc/42/72/99/1177427299.db2.gz KVTMGPHNBOGBPF-CYBMUJFWSA-N 1 0 314.223 3.204 10 0 DGAERO Cc1cc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC000085355954 1177644842 /nfs/dbraw/zinc/64/48/42/1177644842.db2.gz CVQVNWGRGOONBB-WCQYABFASA-N 1 0 311.223 3.214 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cc(Br)ccc1F ZINC000085358605 1177648950 /nfs/dbraw/zinc/64/89/50/1177648950.db2.gz XBIVGYJFFMBNCC-MWLCHTKSSA-N 1 0 315.186 3.044 10 0 DGAERO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCOCCCO ZINC000353037404 1178059332 /nfs/dbraw/zinc/05/93/32/1178059332.db2.gz JMTFFIFBEWRUBC-QBFSEMIESA-N 1 0 317.351 3.097 10 0 DGAERO COc1ccc(NC(=O)C2CC[NH+](CC(C)C)CC2)cc1OC ZINC000047410542 1194411779 /nfs/dbraw/zinc/41/17/79/1194411779.db2.gz SXOBBIBBXXGDRQ-UHFFFAOYSA-N 1 0 320.433 3.010 10 0 DGAERO CC[C@H](C)[NH+]1CCN(Cc2cc(Br)cs2)CC1 ZINC000055069244 1194795188 /nfs/dbraw/zinc/79/51/88/1194795188.db2.gz ROBFDPXAGNTLDC-NSHDSACASA-N 1 0 317.296 3.427 10 0 DGAERO CCOc1cc(C[NH2+]CCc2ccccn2)cc(Cl)c1OC ZINC000060815755 1195157700 /nfs/dbraw/zinc/15/77/00/1195157700.db2.gz CLGQOYVPDWSVFJ-UHFFFAOYSA-N 1 0 320.820 3.475 10 0 DGAERO CCN(C)CC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000066878089 1195572417 /nfs/dbraw/zinc/57/24/17/1195572417.db2.gz RIPHCNNDVZXOBR-UHFFFAOYSA-N 1 0 320.868 3.184 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@@H](C)CN2CCCC2=O)cc1Cl ZINC000066989050 1195582223 /nfs/dbraw/zinc/58/22/23/1195582223.db2.gz OQIRBBAVMAMCFN-ZDUSSCGKSA-N 1 0 322.836 3.005 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)N[C@@H](C)CC)cc1Cl ZINC000066991205 1195583499 /nfs/dbraw/zinc/58/34/99/1195583499.db2.gz MUXJQYGARYYANH-STQMWFEESA-N 1 0 324.852 3.298 10 0 DGAERO c1ccc(OCCC[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000069670605 1195809861 /nfs/dbraw/zinc/80/98/61/1195809861.db2.gz PDFHLAJPOPVMMK-UHFFFAOYSA-N 1 0 313.397 3.407 10 0 DGAERO COc1ccc(OCC[NH2+]Cc2ccc(OC)c(F)c2)cc1 ZINC000072878697 1196121054 /nfs/dbraw/zinc/12/10/54/1196121054.db2.gz UVENBQJBTZXUCS-UHFFFAOYSA-N 1 0 305.349 3.012 10 0 DGAERO CCc1ccc2c(c1)C[N@@H+](CCNC(=O)OC(C)(C)C)CC2 ZINC000074448314 1196270536 /nfs/dbraw/zinc/27/05/36/1196270536.db2.gz LXTABPFSCUWRPG-UHFFFAOYSA-N 1 0 304.434 3.132 10 0 DGAERO Cc1ccc2c(c1)C[N@@H+](CCCNC(=O)OC(C)(C)C)CC2 ZINC000074447930 1196270717 /nfs/dbraw/zinc/27/07/17/1196270717.db2.gz UYPXQVNOIMHGGW-UHFFFAOYSA-N 1 0 304.434 3.268 10 0 DGAERO c1cn(CCC[NH2+]Cc2cccc(OCc3ccccn3)c2)cn1 ZINC000075733847 1196414835 /nfs/dbraw/zinc/41/48/35/1196414835.db2.gz SEALWDMTSBMEAC-UHFFFAOYSA-N 1 0 322.412 3.037 10 0 DGAERO c1c(C[NH2+][C@H](Cc2ccccc2)C2CC2)nnn1-c1ccccc1 ZINC000076903687 1196530018 /nfs/dbraw/zinc/53/00/18/1196530018.db2.gz QKZWVUJJQIYSRC-HXUWFJFHSA-N 1 0 318.424 3.378 10 0 DGAERO c1c(C[NH2+][C@@H](Cc2ccccc2)C2CC2)nnn1-c1ccccc1 ZINC000076903683 1196530130 /nfs/dbraw/zinc/53/01/30/1196530130.db2.gz QKZWVUJJQIYSRC-FQEVSTJZSA-N 1 0 318.424 3.378 10 0 DGAERO c1cn(-c2ccc(C[NH2+]CCCCNc3ccccn3)cc2)cn1 ZINC000078847560 1196802277 /nfs/dbraw/zinc/80/22/77/1196802277.db2.gz HYTNEFSGJUJUOD-UHFFFAOYSA-N 1 0 321.428 3.249 10 0 DGAERO CCOc1ccc(C[NH2+]CCOCc2ccccc2)cc1OC ZINC000080244522 1197054447 /nfs/dbraw/zinc/05/44/47/1197054447.db2.gz XGCHBEHXXBWLQZ-UHFFFAOYSA-N 1 0 315.413 3.400 10 0 DGAERO c1ccc(COCC[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000080244769 1197054507 /nfs/dbraw/zinc/05/45/07/1197054507.db2.gz AEYUTZDAOKUUEB-UHFFFAOYSA-N 1 0 313.397 3.154 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289594 1197193885 /nfs/dbraw/zinc/19/38/85/1197193885.db2.gz ZBFBZGWYYDMTLK-VQIMIIECSA-N 1 0 314.473 3.246 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000081472648 1197222827 /nfs/dbraw/zinc/22/28/27/1197222827.db2.gz BKHCULDGXCWLKD-OAHLLOKOSA-N 1 0 323.506 3.197 10 0 DGAERO Cc1ccsc1CNC(=O)C[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC000081597644 1197237819 /nfs/dbraw/zinc/23/78/19/1197237819.db2.gz NXPYKXPNCQOJNK-CYBMUJFWSA-N 1 0 322.499 3.297 10 0 DGAERO Cc1cc(C#N)cc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000379665667 1197704016 /nfs/dbraw/zinc/70/40/16/1197704016.db2.gz TXPOZGXDZZUSMA-IBGZPJMESA-N 1 0 320.440 3.150 10 0 DGAERO C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000383158668 1197706085 /nfs/dbraw/zinc/70/60/85/1197706085.db2.gz LFBYICUKBVLWBO-HEEFDWFXSA-N 1 0 322.452 3.190 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)[C@H](C)O ZINC000387049554 1197707628 /nfs/dbraw/zinc/70/76/28/1197707628.db2.gz SXBPPHVUGWLGPJ-WQGACYEGSA-N 1 0 320.433 3.380 10 0 DGAERO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCOCc1ccccc1 ZINC000390229030 1197712726 /nfs/dbraw/zinc/71/27/26/1197712726.db2.gz FEOVQNZDGRJMRT-INIZCTEOSA-N 1 0 312.413 3.210 10 0 DGAERO Fc1c(Br)cccc1C[NH2+]CCc1ccccn1 ZINC000394904185 1197722352 /nfs/dbraw/zinc/72/23/52/1197722352.db2.gz HRCIRFRCKLRUIK-UHFFFAOYSA-N 1 0 309.182 3.316 10 0 DGAERO c1nn(-c2ccccc2)cc1CC[NH2+]Cc1nc2c(s1)CCC2 ZINC000093055433 1198645532 /nfs/dbraw/zinc/64/55/32/1198645532.db2.gz QPHJYCGDIOXWLQ-UHFFFAOYSA-N 1 0 324.453 3.150 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1nn(C)cc1Br ZINC000401631137 1199410449 /nfs/dbraw/zinc/41/04/49/1199410449.db2.gz YMOCHOSOTYWJTC-VXGBXAGGSA-N 1 0 314.271 3.489 10 0 DGAERO CO[C@H](C)C[NH2+]Cc1ccccc1CN(C)C(=O)OC(C)(C)C ZINC000404567867 1199570003 /nfs/dbraw/zinc/57/00/03/1199570003.db2.gz CXDFTQHMBUJEEI-CQSZACIVSA-N 1 0 322.449 3.178 10 0 DGAERO CC[C@@](C)(C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)OC ZINC000404743772 1199580719 /nfs/dbraw/zinc/58/07/19/1199580719.db2.gz CYCNMQJEKJBXQW-INIZCTEOSA-N 1 0 314.470 3.086 10 0 DGAERO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405308596 1199597030 /nfs/dbraw/zinc/59/70/30/1199597030.db2.gz NNXPVCWBCNDTAA-BARDWOONSA-N 1 0 308.466 3.458 10 0 DGAERO C/C(=C/C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1cccc(F)c1 ZINC000303531031 1199598050 /nfs/dbraw/zinc/59/80/50/1199598050.db2.gz RSDRGWNJIXXVJB-QXSWTLKVSA-N 1 0 306.425 3.322 10 0 DGAERO CSCCC[NH2+]Cc1ccccc1I ZINC000308754646 1199705407 /nfs/dbraw/zinc/70/54/07/1199705407.db2.gz VXDAASRCGPVPAE-UHFFFAOYSA-N 1 0 321.227 3.134 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)cc1Cl ZINC000114775707 1199717403 /nfs/dbraw/zinc/71/74/03/1199717403.db2.gz GOASUDKXUYXIGZ-OAHLLOKOSA-N 1 0 322.836 3.004 10 0 DGAERO c1cc(C[NH2+]CCOC[C@@H]2CCCO2)cc(OC2CCCC2)c1 ZINC000115625217 1199757166 /nfs/dbraw/zinc/75/71/66/1199757166.db2.gz RYSRCUTYWVIBLQ-IBGZPJMESA-N 1 0 319.445 3.293 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1C ZINC000313596105 1199770909 /nfs/dbraw/zinc/77/09/09/1199770909.db2.gz WKVTVAOTRDVQKV-SWLSCSKDSA-N 1 0 312.251 3.350 10 0 DGAERO Oc1cccc(C[NH2+]CCc2ccccc2)c1Br ZINC000315081055 1199800024 /nfs/dbraw/zinc/80/00/24/1199800024.db2.gz TZHAXFZUAVYIBN-UHFFFAOYSA-N 1 0 306.203 3.487 10 0 DGAERO C[C@@H](C[N@H+](C)CCOCc1ccccc1)C(=O)OC(C)(C)C ZINC000319986023 1199844241 /nfs/dbraw/zinc/84/42/41/1199844241.db2.gz GGUBBVRQLYMRHE-HNNXBMFYSA-N 1 0 307.434 3.113 10 0 DGAERO C=CCCOCC[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000120861602 1200177435 /nfs/dbraw/zinc/17/74/35/1200177435.db2.gz LXNQWIAPXJFCQU-UHFFFAOYSA-N 1 0 322.840 3.348 10 0 DGAERO c1sc2ccccc2c1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000123671500 1200287546 /nfs/dbraw/zinc/28/75/46/1200287546.db2.gz DACNHAHWVWPMSI-AWEZNQCLSA-N 1 0 305.443 3.434 10 0 DGAERO c1c2ccccc2sc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000132916745 1201183838 /nfs/dbraw/zinc/18/38/38/1201183838.db2.gz DCCYTVXJMURKKV-AWEZNQCLSA-N 1 0 305.443 3.434 10 0 DGAERO c1nc(C2CC2)sc1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000133571546 1201192161 /nfs/dbraw/zinc/19/21/61/1201192161.db2.gz GTIBUTCLHUOSST-UHFFFAOYSA-N 1 0 316.426 3.124 10 0 DGAERO CCN(CCC[NH2+]Cc1ccccc1OC)C(=O)OC(C)(C)C ZINC000222040821 1202568046 /nfs/dbraw/zinc/56/80/46/1202568046.db2.gz RYYULTRCIJBDIY-UHFFFAOYSA-N 1 0 322.449 3.432 10 0 DGAERO Cc1csc(C[NH2+]CCNc2ncccc2C(F)(F)F)n1 ZINC000151097796 1202591237 /nfs/dbraw/zinc/59/12/37/1202591237.db2.gz OGRNHMFFECHSSL-UHFFFAOYSA-N 1 0 316.352 3.067 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(Br)c1 ZINC000151089935 1202591419 /nfs/dbraw/zinc/59/14/19/1202591419.db2.gz JEWVJJAHSCADBI-SKDRFNHKSA-N 1 0 315.186 3.044 10 0 DGAERO c1cc(C[NH2+]CCCO[C@@H]2CCOC2)cc(OC2CCCC2)c1 ZINC000153052865 1202595733 /nfs/dbraw/zinc/59/57/33/1202595733.db2.gz QRQFMUQYYRGRDF-LJQANCHMSA-N 1 0 319.445 3.293 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000231359329 1202599186 /nfs/dbraw/zinc/59/91/86/1202599186.db2.gz OLKNZQHELNTKOB-OAHLLOKOSA-N 1 0 319.449 3.127 10 0 DGAERO c1nc2ccccn2c1C[NH2+]CCCOCCc1ccccc1 ZINC000236718069 1202622153 /nfs/dbraw/zinc/62/21/53/1202622153.db2.gz KOODITPZFKIXOE-UHFFFAOYSA-N 1 0 309.413 3.073 10 0 DGAERO c1ccc(OCC2CC2)c(CNC2CC[NH+](CC3CC3)CC2)c1 ZINC000236722435 1202622309 /nfs/dbraw/zinc/62/23/09/1202622309.db2.gz FADNVXJIUDQSJA-UHFFFAOYSA-N 1 0 314.473 3.439 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCNC(=O)C(C)(C)C)cc1Cl ZINC000236791909 1202625268 /nfs/dbraw/zinc/62/52/68/1202625268.db2.gz LPBKNAQPIOZXJW-UHFFFAOYSA-N 1 0 324.852 3.157 10 0 DGAERO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000184730366 1202818248 /nfs/dbraw/zinc/81/82/48/1202818248.db2.gz AFNGILRTYYUTEB-INIZCTEOSA-N 1 0 320.440 3.423 10 0 DGAERO Brc1ccc(C[NH2+]Cc2ccc3c[nH]nc3c2)o1 ZINC000189497454 1203270472 /nfs/dbraw/zinc/27/04/72/1203270472.db2.gz PHUXWCXEXDGOKB-UHFFFAOYSA-N 1 0 306.163 3.208 10 0 DGAERO CCS(=O)(=O)CCCCC[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000190631472 1203281921 /nfs/dbraw/zinc/28/19/21/1203281921.db2.gz WTBDTCGWISPNEX-CQSZACIVSA-N 1 0 317.520 3.216 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3Br)C2)CO1 ZINC000402006306 1203285348 /nfs/dbraw/zinc/28/53/48/1203285348.db2.gz QQJKJCAKXKFFLJ-YWPUVAFDSA-N 1 0 310.235 3.462 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1ccc(Br)s1 ZINC000164665028 1203693224 /nfs/dbraw/zinc/69/32/24/1203693224.db2.gz JCBOBQGWNUTTSB-UHFFFAOYSA-N 1 0 306.269 3.399 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000255120031 1203837156 /nfs/dbraw/zinc/83/71/56/1203837156.db2.gz QROYLAPWIFEMPT-IKESIWSLSA-N 1 0 318.461 3.191 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000255390887 1203843957 /nfs/dbraw/zinc/84/39/57/1203843957.db2.gz RVUPUYGQNCMSTP-KABQWYEXSA-N 1 0 324.424 3.462 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000175974805 1203922504 /nfs/dbraw/zinc/92/25/04/1203922504.db2.gz VSMNFJBQEKZZFP-LSDHHAIUSA-N 1 0 323.506 3.052 10 0 DGAERO C[C@H](CNC(=O)N(C)[C@@H](C)Cc1ccsc1)C[NH+]1CCCC1 ZINC000175974763 1203922556 /nfs/dbraw/zinc/92/25/56/1203922556.db2.gz VSMNFJBQEKZZFP-CABCVRRESA-N 1 0 323.506 3.052 10 0 DGAERO C[C@@H](CNC(=O)N(C)[C@@H](C)Cc1ccsc1)C[NH+]1CCCC1 ZINC000175974790 1203922586 /nfs/dbraw/zinc/92/25/86/1203922586.db2.gz VSMNFJBQEKZZFP-GJZGRUSLSA-N 1 0 323.506 3.052 10 0 DGAERO CC(C)[C@@H](C[NH2+][C@@H](C)C1CCC1)ONC(=O)OC(C)(C)C ZINC000398836449 1082221864 /nfs/dbraw/zinc/22/18/64/1082221864.db2.gz NIWDOADAOZFXGF-GXTWGEPZSA-N 1 0 300.443 3.246 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(SC)ccc1Cl ZINC000063167178 1082342878 /nfs/dbraw/zinc/34/28/78/1082342878.db2.gz ZJSZSULVOCVSMJ-LLVKDONJSA-N 1 0 312.866 3.276 10 0 DGAERO CC[C@H]1CCC[C@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000724645194 1082398446 /nfs/dbraw/zinc/39/84/46/1082398446.db2.gz LCEKJXNPEAVGJQ-KKUMJFAQSA-N 1 0 312.454 3.486 10 0 DGAERO C/C(=C/C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000588496536 1082485540 /nfs/dbraw/zinc/48/55/40/1082485540.db2.gz JSLHLYARWYLKQJ-REZBVGGZSA-N 1 0 302.462 3.268 10 0 DGAERO C/C(=C/c1cccc(Cl)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000588562118 1082637419 /nfs/dbraw/zinc/63/74/19/1082637419.db2.gz SRODWADSHOGJCU-QBFSEMIESA-N 1 0 304.821 3.050 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)CCN1Cc1ccccc1 ZINC000708393222 1082768325 /nfs/dbraw/zinc/76/83/25/1082768325.db2.gz RQCSSIGCDDMZBK-BHIYHBOVSA-N 1 0 316.489 3.444 10 0 DGAERO Cc1c(Cl)cccc1C(=O)N(CCC[NH3+])CC(F)(F)F ZINC000714386217 1086826351 /nfs/dbraw/zinc/82/63/51/1086826351.db2.gz ORSCYENYQHSXSE-UHFFFAOYSA-N 1 0 308.731 3.002 10 0 DGAERO CCCn1cncc1C[NH2+]Cc1ccc(Br)cc1 ZINC000090203897 1092694553 /nfs/dbraw/zinc/69/45/53/1092694553.db2.gz JMICCUMCACLQHT-UHFFFAOYSA-N 1 0 308.223 3.345 10 0 DGAERO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)nn1 ZINC000720616097 1093874161 /nfs/dbraw/zinc/87/41/61/1093874161.db2.gz OLRTXQIMFFUMTO-QRWLVFNGSA-N 1 0 324.472 3.094 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C(F)F ZINC000400514702 1093900141 /nfs/dbraw/zinc/90/01/41/1093900141.db2.gz MOYKUELQKJEMOB-WDEREUQCSA-N 1 0 306.397 3.265 10 0 DGAERO Cc1cnc(C[NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000400716131 1093910235 /nfs/dbraw/zinc/91/02/35/1093910235.db2.gz NIRMTQZIIQXYLK-ZDUSSCGKSA-N 1 0 323.437 3.108 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000401114187 1093936295 /nfs/dbraw/zinc/93/62/95/1093936295.db2.gz HNQFIQSEYPIPJA-HAEOWDPNSA-N 1 0 320.477 3.410 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000401666828 1093963186 /nfs/dbraw/zinc/96/31/86/1093963186.db2.gz IHGZTUJPQSKATL-ILXRZTDVSA-N 1 0 319.449 3.378 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000401666832 1093963458 /nfs/dbraw/zinc/96/34/58/1093963458.db2.gz IHGZTUJPQSKATL-QLFBSQMISA-N 1 0 319.449 3.378 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000401688538 1093965007 /nfs/dbraw/zinc/96/50/07/1093965007.db2.gz YXGIHJNYXIZMTE-DZKIICNBSA-N 1 0 319.449 3.378 10 0 DGAERO COCCCCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401783191 1093972744 /nfs/dbraw/zinc/97/27/44/1093972744.db2.gz RMNPBGAULAYQEJ-GJZGRUSLSA-N 1 0 314.470 3.038 10 0 DGAERO CSCCCC[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401855341 1093975654 /nfs/dbraw/zinc/97/56/54/1093975654.db2.gz YKIKUMAFAHZPDS-MRXNPFEDSA-N 1 0 322.474 3.130 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403560625 1094142616 /nfs/dbraw/zinc/14/26/16/1094142616.db2.gz KYPHVSZMJIGAIF-WSOGJNRSSA-N 1 0 314.495 3.304 10 0 DGAERO COC(=O)c1cnc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)s1 ZINC000403583111 1094147057 /nfs/dbraw/zinc/14/70/57/1094147057.db2.gz UQBBSVPCLRBUSE-UBJLHIIHSA-N 1 0 312.460 3.007 10 0 DGAERO Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)nc1 ZINC000403596356 1094148562 /nfs/dbraw/zinc/14/85/62/1094148562.db2.gz ZPNVGCDJTLOLOW-YHWZYXNKSA-N 1 0 313.264 3.360 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccns2)CCN1C(=O)OC(C)(C)C ZINC000404460244 1094258996 /nfs/dbraw/zinc/25/89/96/1094258996.db2.gz SRAZBDKSGSYVRN-NEPJUHHUSA-N 1 0 311.451 3.021 10 0 DGAERO CC(C)(C)OCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404800534 1094269556 /nfs/dbraw/zinc/26/95/56/1094269556.db2.gz JTQGRMBPLSYPLI-STQMWFEESA-N 1 0 314.470 3.083 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C/C2CC2)C12CCC2 ZINC000405220902 1094309645 /nfs/dbraw/zinc/30/96/45/1094309645.db2.gz MODLOZXRWNLAQQ-WYVSAIIBSA-N 1 0 306.450 3.378 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCC(C)(F)F)C12CCC2 ZINC000405236177 1094311880 /nfs/dbraw/zinc/31/18/80/1094311880.db2.gz SROQOALTOATJEC-NWDGAFQWSA-N 1 0 318.408 3.457 10 0 DGAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000405573004 1094388647 /nfs/dbraw/zinc/38/86/47/1094388647.db2.gz DAZUDGWJDYTSPJ-LXTVHRRPSA-N 1 0 314.470 3.083 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]CCc2ccc(Br)s2)CO[C@H]1C ZINC000405746839 1094427031 /nfs/dbraw/zinc/42/70/31/1094427031.db2.gz WYLSVFQSAOIDFG-QXEWZRGKSA-N 1 0 304.253 3.066 10 0 DGAERO COCC[C@H](C)[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC000309947850 1094842793 /nfs/dbraw/zinc/84/27/93/1094842793.db2.gz DSNMADUWNBXEDD-KBPBESRZSA-N 1 0 302.459 3.085 10 0 DGAERO CCC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc(Cl)c1Cl ZINC000721687231 1097839910 /nfs/dbraw/zinc/83/99/10/1097839910.db2.gz RHFLWJPJMLMSHI-SNVBAGLBSA-N 1 0 303.233 3.454 10 0 DGAERO CCC[NH2+][C@H](CNC(=O)c1cscc1C(F)F)C1CC1 ZINC000722124560 1098638385 /nfs/dbraw/zinc/63/83/85/1098638385.db2.gz QDSITXIFCGLZOW-GFCCVEGCSA-N 1 0 302.390 3.194 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(Br)cc1C ZINC000716843600 1101775427 /nfs/dbraw/zinc/77/54/27/1101775427.db2.gz KUEWBNPSUQIIJB-SMDDNHRTSA-N 1 0 300.240 3.397 10 0 DGAERO CN1CCCC[C@H]1C[NH2+]Cc1csc(Br)c1 ZINC000044561244 1103024636 /nfs/dbraw/zinc/02/46/36/1103024636.db2.gz SYSBULNDQJEVGO-NSHDSACASA-N 1 0 303.269 3.085 10 0 DGAERO COCC1(C[NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)CCC1 ZINC000718010267 1104480069 /nfs/dbraw/zinc/48/00/69/1104480069.db2.gz ZMPJOZPAPPHOMF-LJQANCHMSA-N 1 0 316.489 3.303 10 0 DGAERO [NH3+]C1CC(CC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000718090883 1104506551 /nfs/dbraw/zinc/50/65/51/1104506551.db2.gz INJFEKILRKKQGS-QEIKUCIBSA-N 1 0 310.850 3.121 10 0 DGAERO COc1ccc(C[NH2+]CCCOCC(F)(F)F)cc1Cl ZINC000718883005 1104751898 /nfs/dbraw/zinc/75/18/98/1104751898.db2.gz ICPWGZVPWBOEDX-UHFFFAOYSA-N 1 0 311.731 3.407 10 0 DGAERO C[C@H]1[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CCN1C ZINC000719642894 1104968294 /nfs/dbraw/zinc/96/82/94/1104968294.db2.gz CUPQMIXMQJMACX-TVQRCGJNSA-N 1 0 317.658 3.285 10 0 DGAERO Cc1coc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000723787076 1106323179 /nfs/dbraw/zinc/32/31/79/1106323179.db2.gz SFYXOUGMIDGKPR-ZIAGYGMSSA-N 1 0 308.422 3.181 10 0 DGAERO CC(C)[C@H]1CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724096021 1106622124 /nfs/dbraw/zinc/62/21/24/1106622124.db2.gz FUFQBOUTQHOTCG-QWRGUYRKSA-N 1 0 303.315 3.303 10 0 DGAERO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000724120563 1106629253 /nfs/dbraw/zinc/62/92/53/1106629253.db2.gz MFRWNTOTUQXVIW-OLZOCXBDSA-N 1 0 302.187 3.197 10 0 DGAERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC(F)F ZINC000381761472 1108108302 /nfs/dbraw/zinc/10/83/02/1108108302.db2.gz KTGPHADJMKGLHB-NEPJUHHUSA-N 1 0 306.397 3.409 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC1CCC(O)CC1 ZINC000382646467 1108157934 /nfs/dbraw/zinc/15/79/34/1108157934.db2.gz LRNHCLSCQQOLIJ-QHGAOEGBSA-N 1 0 316.489 3.134 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2Br)[C@H](C)O1 ZINC000384704577 1108304383 /nfs/dbraw/zinc/30/43/83/1108304383.db2.gz FJKYKELXGOMQFT-VDDIYKPWSA-N 1 0 302.187 3.244 10 0 DGAERO CCn1nccc1C[NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C ZINC000700473823 1108823680 /nfs/dbraw/zinc/82/36/80/1108823680.db2.gz HSABWNLRCKFTIN-UHFFFAOYSA-N 1 0 324.469 3.028 10 0 DGAERO C[NH2+][C@@H](C)c1csc(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000076784834 185041470 /nfs/dbraw/zinc/04/14/70/185041470.db2.gz CJLWLTVMIHLPCQ-VIFPVBQESA-N 1 0 308.403 3.116 10 0 DGAERO c1ccc2c(c1)NCC21CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000095616910 185382533 /nfs/dbraw/zinc/38/25/33/185382533.db2.gz QNWIWJDBHMZGDZ-UHFFFAOYSA-N 1 0 322.408 3.375 10 0 DGAERO CN(C)C(=O)C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000162613164 197579388 /nfs/dbraw/zinc/57/93/88/197579388.db2.gz VFPAYEQUMWSCKV-UHFFFAOYSA-N 1 0 323.440 3.049 10 0 DGAERO CC[C@@H](C)Oc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000177694673 529383122 /nfs/dbraw/zinc/38/31/22/529383122.db2.gz WNPFANVFFFWHLH-WBVHZDCISA-N 1 0 318.461 3.420 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1 ZINC000181284540 199276333 /nfs/dbraw/zinc/27/63/33/199276333.db2.gz PLMPQMARFHBXQD-FQEVSTJZSA-N 1 0 308.425 3.200 10 0 DGAERO CC1(C)C[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)CO1 ZINC000396530995 546761805 /nfs/dbraw/zinc/76/18/05/546761805.db2.gz KOXIZTXJGFDSKB-MRVPVSSYSA-N 1 0 320.177 3.384 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NCCC[NH+]1CCCC1 ZINC000079325538 185165165 /nfs/dbraw/zinc/16/51/65/185165165.db2.gz AGURDPGABJZOLH-UHFFFAOYSA-N 1 0 321.490 3.325 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1ccc(C)s1 ZINC000176026474 529404413 /nfs/dbraw/zinc/40/44/13/529404413.db2.gz GWZYHGJBLOSKBV-HZPDHXFCSA-N 1 0 320.502 3.464 10 0 DGAERO OCCC1(C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000309090782 231097024 /nfs/dbraw/zinc/09/70/24/231097024.db2.gz KRUBSINDWUWKMX-UHFFFAOYSA-N 1 0 324.671 3.416 10 0 DGAERO COCc1nc(-c2ccc(OC)cc2)sc1C[NH2+]C(C)C ZINC000082446419 185183628 /nfs/dbraw/zinc/18/36/28/185183628.db2.gz YRDRFCFAGSOLFZ-UHFFFAOYSA-N 1 0 306.431 3.463 10 0 DGAERO CCOc1ccc(C(=O)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000083162917 185215255 /nfs/dbraw/zinc/21/52/55/185215255.db2.gz WXGMZNPSFCGRLB-LLVKDONJSA-N 1 0 312.207 3.030 10 0 DGAERO NC(=O)CC[C@H]1CCC[N@H+](Cc2nc3cccnc3s2)C1 ZINC000328899152 231380010 /nfs/dbraw/zinc/38/00/10/231380010.db2.gz XDYGYCYVIHQYNJ-LLVKDONJSA-N 1 0 304.419 3.219 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181315467 199280392 /nfs/dbraw/zinc/28/03/92/199280392.db2.gz KQHRWMFUKWDGCV-HNNXBMFYSA-N 1 0 311.429 3.314 10 0 DGAERO CCOc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1C ZINC000129457974 432005915 /nfs/dbraw/zinc/00/59/15/432005915.db2.gz GLQDUKMPGRXMDG-UHFFFAOYSA-N 1 0 318.461 3.244 10 0 DGAERO C[NH+](C)Cc1ccc(-c2c[nH]c(=O)c3cccc(O)c23)s1 ZINC000090502376 185299406 /nfs/dbraw/zinc/29/94/06/185299406.db2.gz FLGDLZPGAWCJLY-UHFFFAOYSA-N 1 0 300.383 3.024 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccc(Br)cc1)[S@](C)=O ZINC000090515764 185299998 /nfs/dbraw/zinc/29/99/98/185299998.db2.gz LGXYZVKEIGJVQE-VGTOOOLASA-N 1 0 318.280 3.257 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)[S@](C)=O ZINC000090514180 185300022 /nfs/dbraw/zinc/30/00/22/185300022.db2.gz ROSNVTFWERQNCI-NNUHMIRASA-N 1 0 323.380 3.393 10 0 DGAERO Cc1ncc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)s1 ZINC000090419462 185295437 /nfs/dbraw/zinc/29/54/37/185295437.db2.gz DUXJORVZBMMGJC-SWLSCSKDSA-N 1 0 321.490 3.283 10 0 DGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]2c2ccco2)C1 ZINC000063582915 432005903 /nfs/dbraw/zinc/00/59/03/432005903.db2.gz LVGUAELAFVGCCA-QLFBSQMISA-N 1 0 304.434 3.010 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000275943346 282223485 /nfs/dbraw/zinc/22/34/85/282223485.db2.gz ZIEANYBPSCKDGS-VDZJLULYSA-N 1 0 324.472 3.346 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000092510450 185323128 /nfs/dbraw/zinc/32/31/28/185323128.db2.gz IHDNUUNQFFTHCO-QQOXCAACSA-N 1 0 304.409 3.172 10 0 DGAERO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)C[C@H]1CCCO1 ZINC000128097540 282241271 /nfs/dbraw/zinc/24/12/71/282241271.db2.gz YRLQLEJNFRHNNF-QGZVFWFLSA-N 1 0 317.408 3.239 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000124263063 282252957 /nfs/dbraw/zinc/25/29/57/282252957.db2.gz XRAOUXQZUUEESK-IGNZVWTISA-N 1 0 313.445 3.255 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000192813353 529707389 /nfs/dbraw/zinc/70/73/89/529707389.db2.gz RIDIRSZSKYRILT-QAPCUYQASA-N 1 0 310.445 3.359 10 0 DGAERO CCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000092813675 185343325 /nfs/dbraw/zinc/34/33/25/185343325.db2.gz UZIGGZNOAKXRHS-INIZCTEOSA-N 1 0 315.417 3.231 10 0 DGAERO COCc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000092812591 185343517 /nfs/dbraw/zinc/34/35/17/185343517.db2.gz WBBIZWKMIFUZPQ-SFHVURJKSA-N 1 0 311.429 3.162 10 0 DGAERO Cn1nccc1C1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000092810426 185343009 /nfs/dbraw/zinc/34/30/09/185343009.db2.gz WBJYTGKREDHSSD-UHFFFAOYSA-N 1 0 309.413 3.076 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2ccccc2)cc1 ZINC000181426774 199294740 /nfs/dbraw/zinc/29/47/40/199294740.db2.gz PPTTZLLJKSDDPY-JXFKEZNVSA-N 1 0 321.424 3.262 10 0 DGAERO Cn1cc(C[NH2+][C@H]2CCc3cc(F)ccc32)c(C(F)(F)F)n1 ZINC000181584637 199322481 /nfs/dbraw/zinc/32/24/81/199322481.db2.gz NXBUWWSGRBDFOZ-ZDUSSCGKSA-N 1 0 313.298 3.355 10 0 DGAERO Fc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1F ZINC000103473730 432009892 /nfs/dbraw/zinc/00/98/92/432009892.db2.gz KMWFYTCGLLCPAV-CYBMUJFWSA-N 1 0 303.356 3.294 10 0 DGAERO CC(C)CC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000129957786 432011397 /nfs/dbraw/zinc/01/13/97/432011397.db2.gz CTBLTYKSIKFZTE-HZPDHXFCSA-N 1 0 309.498 3.327 10 0 DGAERO Cc1ccc(-c2cc(C[NH+]3CCC([C@@H](C)O)CC3)on2)cc1 ZINC000111288298 185575741 /nfs/dbraw/zinc/57/57/41/185575741.db2.gz NSDOSXGHEIQDNI-CQSZACIVSA-N 1 0 300.402 3.243 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)c1cn[nH]c1 ZINC000235154428 201913409 /nfs/dbraw/zinc/91/34/09/201913409.db2.gz VPVRKEOHLBTINZ-WDEREUQCSA-N 1 0 308.223 3.454 10 0 DGAERO Fc1ccc(-c2nn(-c3ccc(F)cc3)c3c2C[NH2+]CC3)cc1 ZINC000028009317 282971031 /nfs/dbraw/zinc/97/10/31/282971031.db2.gz WRLQBZANKSUIHD-UHFFFAOYSA-N 1 0 311.335 3.463 10 0 DGAERO O=c1ccccn1Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000123646734 185829456 /nfs/dbraw/zinc/82/94/56/185829456.db2.gz COCFGJKLCKEOGJ-QGZVFWFLSA-N 1 0 308.425 3.343 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)CC2 ZINC000130262661 432019524 /nfs/dbraw/zinc/01/95/24/432019524.db2.gz GPRDHDBYRCIJEP-NXEZZACHSA-N 1 0 310.854 3.221 10 0 DGAERO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000236680641 201961693 /nfs/dbraw/zinc/96/16/93/201961693.db2.gz NLEKUYRGJKPQOQ-KRWDZBQOSA-N 1 0 302.374 3.175 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCn1ccnn1 ZINC000126544503 185872640 /nfs/dbraw/zinc/87/26/40/185872640.db2.gz VVUZHBIZLRNQLA-LLVKDONJSA-N 1 0 307.467 3.081 10 0 DGAERO O=C(NCCC1=CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126578552 185875882 /nfs/dbraw/zinc/87/58/82/185875882.db2.gz QFHQGPRVECCRRI-WMZOPIPTSA-N 1 0 317.477 3.145 10 0 DGAERO C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279801916 215158948 /nfs/dbraw/zinc/15/89/48/215158948.db2.gz WEQOXWACEREBIK-DOTOQJQBSA-N 1 0 318.461 3.464 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1F ZINC000083704095 192379277 /nfs/dbraw/zinc/37/92/77/192379277.db2.gz KDMVMVFSEPSNBO-DGCLKSJQSA-N 1 0 310.800 3.178 10 0 DGAERO c1cc2c(cc1[C@H]([NH2+][C@@H]1CCCSC1)C1CC1)OCCO2 ZINC000183458790 199599247 /nfs/dbraw/zinc/59/92/47/199599247.db2.gz KEIKWADEBHFLRP-RHSMWYFYSA-N 1 0 305.443 3.394 10 0 DGAERO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000236699847 201972992 /nfs/dbraw/zinc/97/29/92/201972992.db2.gz JIYNDHXUMIYLTG-HLLBOEOZSA-N 1 0 308.853 3.323 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(F)c(Cl)cc1Cl ZINC000084059580 192397573 /nfs/dbraw/zinc/39/75/73/192397573.db2.gz QRAITRKAYVEUSQ-DTWKUNHWSA-N 1 0 319.207 3.404 10 0 DGAERO C[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)Cc1ccccc1 ZINC000133681833 186006304 /nfs/dbraw/zinc/00/63/04/186006304.db2.gz ZOLAIRVPMWCMJK-AWEZNQCLSA-N 1 0 314.395 3.482 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cncc(-c2ccccc2)c1 ZINC000150727273 186060873 /nfs/dbraw/zinc/06/08/73/186060873.db2.gz JKOKNQKLNGQAGU-LJQANCHMSA-N 1 0 323.440 3.305 10 0 DGAERO Cc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1Br ZINC000084752001 192465257 /nfs/dbraw/zinc/46/52/57/192465257.db2.gz GULSGWUKXDRMAE-UHFFFAOYSA-N 1 0 319.202 3.469 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)Cc2ccccc2Cl)CC1 ZINC000130433412 432024866 /nfs/dbraw/zinc/02/48/66/432024866.db2.gz AQIMLOBAGVVOAZ-UHFFFAOYSA-N 1 0 308.853 3.119 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152490585 186078680 /nfs/dbraw/zinc/07/86/80/186078680.db2.gz HVQJKKQLBSZFMC-WBVHZDCISA-N 1 0 318.461 3.383 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)c2ccccc2F)C1 ZINC000164156108 186150681 /nfs/dbraw/zinc/15/06/81/186150681.db2.gz XWIBFJMQXUBEMZ-YOEHRIQHSA-N 1 0 318.436 3.046 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1Cl ZINC000173331518 186177146 /nfs/dbraw/zinc/17/71/46/186177146.db2.gz DLZOEESPIMZMKE-QWHCGFSZSA-N 1 0 307.825 3.431 10 0 DGAERO Cc1noc([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)n1 ZINC000179713296 186208723 /nfs/dbraw/zinc/20/87/23/186208723.db2.gz NILINMBGLBEKAG-HNNXBMFYSA-N 1 0 323.400 3.148 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2nc3ccccc3n2C(F)F)C1 ZINC000187982519 186239192 /nfs/dbraw/zinc/23/91/92/186239192.db2.gz VOYIXYHXIFAAOV-SJCJKPOMSA-N 1 0 323.387 3.414 10 0 DGAERO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000189953348 186254578 /nfs/dbraw/zinc/25/45/78/186254578.db2.gz AMGLHFFQJZFQEO-RISCZKNCSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1C ZINC000237473161 186294565 /nfs/dbraw/zinc/29/45/65/186294565.db2.gz CHGMTTZDBSTCQY-LAQRGFTBSA-N 1 0 300.446 3.401 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237490133 186296737 /nfs/dbraw/zinc/29/67/37/186296737.db2.gz KDIXJQDTBRBOKA-VPSFDDGASA-N 1 0 300.446 3.230 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000194258263 186273833 /nfs/dbraw/zinc/27/38/33/186273833.db2.gz LHOGHLUVEWTWBA-CXAGYDPISA-N 1 0 314.433 3.362 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000130491285 432026468 /nfs/dbraw/zinc/02/64/68/432026468.db2.gz SLCWTSABVQNVKF-IAQYHMDHSA-N 1 0 300.368 3.266 10 0 DGAERO CCN(C(=O)NCCC[NH+]1CCCCC1)[C@H](C)c1cccnc1 ZINC000172128195 198043227 /nfs/dbraw/zinc/04/32/27/198043227.db2.gz GSNSPTXGLYCCCV-MRXNPFEDSA-N 1 0 318.465 3.050 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000172169821 198051784 /nfs/dbraw/zinc/05/17/84/198051784.db2.gz OSWUWHHTFGQZCS-OLZOCXBDSA-N 1 0 302.418 3.385 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(F)c(F)cc2F)CC[N@@H+]1C ZINC000173089314 198183882 /nfs/dbraw/zinc/18/38/82/198183882.db2.gz SWWLKCGQPAIGQQ-ZJUUUORDSA-N 1 0 315.339 3.050 10 0 DGAERO CCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000173446322 198215873 /nfs/dbraw/zinc/21/58/73/198215873.db2.gz DVBASACRDHZLGW-MSOLQXFVSA-N 1 0 313.445 3.184 10 0 DGAERO c1cc(C2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)n[nH]1 ZINC000130972416 432030961 /nfs/dbraw/zinc/03/09/61/432030961.db2.gz OAMNCPPDIODQGG-UHFFFAOYSA-N 1 0 321.428 3.034 10 0 DGAERO Cc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccc(F)c(F)c1)C(C)C)CC2 ZINC000182051037 199379564 /nfs/dbraw/zinc/37/95/64/199379564.db2.gz NOCUFWQHHBQUSK-DYVFJYSZSA-N 1 0 320.387 3.166 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(Cl)cc1 ZINC000173391801 198210139 /nfs/dbraw/zinc/21/01/39/198210139.db2.gz OIGMWRTXWDTVSA-CJNGLKHVSA-N 1 0 319.836 3.057 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(C)s1 ZINC000173872269 198262704 /nfs/dbraw/zinc/26/27/04/198262704.db2.gz JNOIOLNPAUIJNN-HIFRSBDPSA-N 1 0 319.474 3.082 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173888840 198264466 /nfs/dbraw/zinc/26/44/66/198264466.db2.gz PRRMHPREJNYTDH-MAUKXSAKSA-N 1 0 318.436 3.091 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2nc3ccccc3s2)CC[N@@H+]1C ZINC000174279846 198314187 /nfs/dbraw/zinc/31/41/87/198314187.db2.gz CZEQNXQJYOZKLN-RYUDHWBXSA-N 1 0 318.446 3.243 10 0 DGAERO CCOc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000107525561 432032980 /nfs/dbraw/zinc/03/29/80/432032980.db2.gz WKSNULYRGGSFEY-KRWDZBQOSA-N 1 0 316.445 3.176 10 0 DGAERO CCS[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000107526116 432033278 /nfs/dbraw/zinc/03/32/78/432033278.db2.gz LLMMHEPQGRWLMJ-CVEARBPZSA-N 1 0 312.523 3.241 10 0 DGAERO CSc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000174732749 198377208 /nfs/dbraw/zinc/37/72/08/198377208.db2.gz KBVMQJLVJCCCHJ-JSGCOSHPSA-N 1 0 307.463 3.355 10 0 DGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC000174781979 198384412 /nfs/dbraw/zinc/38/44/12/198384412.db2.gz LSRMYHUDOCQMLL-JKSUJKDBSA-N 1 0 317.477 3.202 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000174967547 198408971 /nfs/dbraw/zinc/40/89/71/198408971.db2.gz INYQDFFDOWHGMI-NXEZZACHSA-N 1 0 316.232 3.020 10 0 DGAERO CCn1cc(C2CC[NH+](CCC(=O)c3ccccc3)CC2)cn1 ZINC000182183847 199399543 /nfs/dbraw/zinc/39/95/43/199399543.db2.gz XTKBXLHJYOMCJC-UHFFFAOYSA-N 1 0 311.429 3.355 10 0 DGAERO CC(C)[NH2+]C[C@H](O)COc1ccccc1Oc1ccccc1 ZINC000003620428 181041986 /nfs/dbraw/zinc/04/19/86/181041986.db2.gz KKUNNAQTFRMRFW-HNNXBMFYSA-N 1 0 301.386 3.217 10 0 DGAERO CCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236775081 202003300 /nfs/dbraw/zinc/00/33/00/202003300.db2.gz GTRWMBJCVVNPNA-COXVUDFISA-N 1 0 302.418 3.335 10 0 DGAERO Fc1ccc2c(c1)[C@@H]([N@@H+]1CCCN(c3ccccn3)CC1)CC2 ZINC000248896478 283001366 /nfs/dbraw/zinc/00/13/66/283001366.db2.gz VHLSEGQDTYLNGA-SFHVURJKSA-N 1 0 311.404 3.420 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000236802146 202016882 /nfs/dbraw/zinc/01/68/82/202016882.db2.gz ADBGIIHGLIKZIJ-COXVUDFISA-N 1 0 302.418 3.333 10 0 DGAERO c1cnn(-c2ccc(CN3CCCC[C@@H]([NH+]4CCCC4)C3)cc2)c1 ZINC000107697470 432038340 /nfs/dbraw/zinc/03/83/40/432038340.db2.gz DGIVRKZNYYYNGW-HXUWFJFHSA-N 1 0 324.472 3.323 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131433941 432038684 /nfs/dbraw/zinc/03/86/84/432038684.db2.gz GICVDWWWOGEHGN-MRXNPFEDSA-N 1 0 324.490 3.092 10 0 DGAERO C[C@@H](C(=O)OC(C)(C)C)N(C)CC1=Cc2ccccc2OC1 ZINC000131515672 432040534 /nfs/dbraw/zinc/04/05/34/432040534.db2.gz ASMPOEKFKRPHSC-ZDUSSCGKSA-N 1 0 303.402 3.124 10 0 DGAERO Fc1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1Cl ZINC000163767672 432041603 /nfs/dbraw/zinc/04/16/03/432041603.db2.gz PPSDZXDMHRVONH-GFCCVEGCSA-N 1 0 307.752 3.409 10 0 DGAERO c1ccc(COCCOCCC[NH2+][C@@H]2CCCSC2)cc1 ZINC000183720928 199635159 /nfs/dbraw/zinc/63/51/59/199635159.db2.gz LLKNMPWNJISDCK-QGZVFWFLSA-N 1 0 309.475 3.095 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000179132875 432044832 /nfs/dbraw/zinc/04/48/32/432044832.db2.gz QKJHJSOZAINBML-UHFFFAOYSA-N 1 0 318.417 3.378 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000073639267 191335832 /nfs/dbraw/zinc/33/58/32/191335832.db2.gz REDFHZRGWDMATJ-OAHLLOKOSA-N 1 0 315.461 3.255 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)N(C)C1CCC1)c1ccsc1 ZINC000073651678 191336161 /nfs/dbraw/zinc/33/61/61/191336161.db2.gz IRIHONOPDSGAMV-OAHLLOKOSA-N 1 0 309.479 3.325 10 0 DGAERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)cc1F ZINC000132174921 432046026 /nfs/dbraw/zinc/04/60/26/432046026.db2.gz ZGLCNENAJAJUAX-VXGBXAGGSA-N 1 0 312.816 3.342 10 0 DGAERO Cc1cc2nc(Cl)c(NC[C@@H]3CCC[NH2+]C3)nc2cc1C ZINC000073736013 191349100 /nfs/dbraw/zinc/34/91/00/191349100.db2.gz JVIZSNDDCOCJAM-GFCCVEGCSA-N 1 0 304.825 3.312 10 0 DGAERO Clc1ccc2nc(Cl)nc(NC[C@@H]3CCC[NH2+]C3)c2c1 ZINC000073735560 191349943 /nfs/dbraw/zinc/34/99/43/191349943.db2.gz DNMBTWCZZNQHIO-SECBINFHSA-N 1 0 311.216 3.348 10 0 DGAERO CS[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC000179165756 432047705 /nfs/dbraw/zinc/04/77/05/432047705.db2.gz OOLHZUNZJKZRPY-IAGOWNOFSA-N 1 0 320.502 3.327 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000164305614 432047870 /nfs/dbraw/zinc/04/78/70/432047870.db2.gz IBJUYQYWSUKNBR-SWLSCSKDSA-N 1 0 309.841 3.499 10 0 DGAERO CSc1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000164531576 432048986 /nfs/dbraw/zinc/04/89/86/432048986.db2.gz ZIBYLBKCXMNOMI-OCCSQVGLSA-N 1 0 307.463 3.259 10 0 DGAERO Cc1ccc([C@H](C)N(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000132386079 432048834 /nfs/dbraw/zinc/04/88/34/432048834.db2.gz JHEYPNUKGTZEHC-XYJFISCASA-N 1 0 317.477 3.426 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000179190510 432049573 /nfs/dbraw/zinc/04/95/73/432049573.db2.gz WFTILUBPTSPXDO-RKVPGOIHSA-N 1 0 313.445 3.115 10 0 DGAERO C[C@@H](C[NH3+])N(C)C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000179196964 432049771 /nfs/dbraw/zinc/04/97/71/432049771.db2.gz GWLNHKIOMXMLOH-KRWDZBQOSA-N 1 0 324.468 3.284 10 0 DGAERO Cc1cccc(C)c1N(CCCc1cccnc1)C(=O)[C@H](C)[NH3+] ZINC000005161160 181211631 /nfs/dbraw/zinc/21/16/31/181211631.db2.gz YYGZCHLVUTUNGZ-INIZCTEOSA-N 1 0 311.429 3.011 10 0 in-man DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)NCc1cccs1 ZINC000078586951 191889935 /nfs/dbraw/zinc/88/99/35/191889935.db2.gz CBLBSHHOUZIGIH-WDEREUQCSA-N 1 0 324.396 3.382 10 0 DGAERO CC(C)(CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000179247507 432051662 /nfs/dbraw/zinc/05/16/62/432051662.db2.gz PDIZICQHTQAKMZ-QGZVFWFLSA-N 1 0 300.446 3.051 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC000164979261 432052673 /nfs/dbraw/zinc/05/26/73/432052673.db2.gz PSIFFNVVVBJDAY-OAHLLOKOSA-N 1 0 313.445 3.341 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000179308680 432054084 /nfs/dbraw/zinc/05/40/84/432054084.db2.gz FWIVTHZJGJOCBY-MRXNPFEDSA-N 1 0 316.376 3.186 10 0 DGAERO CCC[C@H](C(=O)NCc1csc(-c2ccccc2)n1)[NH+](C)C ZINC000179314962 432054252 /nfs/dbraw/zinc/05/42/52/432054252.db2.gz WZVRVKAOFBQLEN-OAHLLOKOSA-N 1 0 317.458 3.157 10 0 DGAERO Cc1ccccc1[C@H]([NH2+][C@H](C)C[S@](C)=O)c1ccccc1 ZINC000184304396 199702014 /nfs/dbraw/zinc/70/20/14/199702014.db2.gz WKAJVVYTGMCUQE-FPDPHYFHSA-N 1 0 301.455 3.441 10 0 DGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1nc2c(s1)CCCC2 ZINC000179431524 432057898 /nfs/dbraw/zinc/05/78/98/432057898.db2.gz PUTJIUGJNWZWMP-KCTSRDHCSA-N 1 0 314.454 3.331 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)[NH2+]CC2(O)CCOCC2)cc1 ZINC000165970243 432057908 /nfs/dbraw/zinc/05/79/08/432057908.db2.gz DVIZBNOTHABEIK-INIZCTEOSA-N 1 0 321.461 3.304 10 0 DGAERO CCN(CC(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179472575 432059448 /nfs/dbraw/zinc/05/94/48/432059448.db2.gz SNTDHLXWPSGFDT-DLBZAZTESA-N 1 0 303.450 3.119 10 0 DGAERO CCCc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1 ZINC000179492498 432060234 /nfs/dbraw/zinc/06/02/34/432060234.db2.gz RFWFMUJXUGFRID-CEXWTWQISA-N 1 0 303.446 3.407 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(Cl)s1 ZINC000166495950 432060664 /nfs/dbraw/zinc/06/06/64/432060664.db2.gz GFBPHHDENZSKDD-RYUDHWBXSA-N 1 0 324.881 3.455 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000237022051 202126468 /nfs/dbraw/zinc/12/64/68/202126468.db2.gz YLYLTQFNVFTOJJ-PRHODGIISA-N 1 0 309.460 3.492 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H](c2cccc(Cl)c2)C(C)C)CC1 ZINC000237081340 202146163 /nfs/dbraw/zinc/14/61/63/202146163.db2.gz IARMFEJUKBPNEC-MRXNPFEDSA-N 1 0 308.853 3.290 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)CC1 ZINC000237082326 202146580 /nfs/dbraw/zinc/14/65/80/202146580.db2.gz PHWFVXLKYXMJTH-HNNXBMFYSA-N 1 0 318.461 3.096 10 0 DGAERO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000177727229 198766108 /nfs/dbraw/zinc/76/61/08/198766108.db2.gz JXSKAGYYWTXGTM-GFCCVEGCSA-N 1 0 324.471 3.013 10 0 DGAERO C[NH2+]C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000237106490 202155365 /nfs/dbraw/zinc/15/53/65/202155365.db2.gz JBPNJUKETYBKCX-UHFFFAOYSA-N 1 0 320.864 3.362 10 0 DGAERO COc1c(C)cc(CN(C)C(=O)CCC2CC[NH2+]CC2)cc1C ZINC000237126609 202161260 /nfs/dbraw/zinc/16/12/60/202161260.db2.gz DVTFAPNPUBMPSK-UHFFFAOYSA-N 1 0 318.461 3.050 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2sc3cccc(F)c3c2C)CC1 ZINC000237162039 202172066 /nfs/dbraw/zinc/17/20/66/202172066.db2.gz BHMBBUJJXQSQHA-UHFFFAOYSA-N 1 0 306.406 3.173 10 0 DGAERO COCCOc1cccc(C[NH2+]Cc2cc(F)ccc2OC)c1 ZINC000237191435 202181944 /nfs/dbraw/zinc/18/19/44/202181944.db2.gz AGDPXJQQCXNKAO-UHFFFAOYSA-N 1 0 319.376 3.149 10 0 DGAERO Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cnc1Cl ZINC000177964844 198795457 /nfs/dbraw/zinc/79/54/57/198795457.db2.gz XQKJYBVRNVFPAF-CQSZACIVSA-N 1 0 322.840 3.136 10 0 DGAERO CN(C(=O)CCSc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237204589 202188026 /nfs/dbraw/zinc/18/80/26/202188026.db2.gz JYQBOKKIFOSPFY-PBWFPOADSA-N 1 0 322.449 3.049 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1cncc(F)c1 ZINC000167497524 432065304 /nfs/dbraw/zinc/06/53/04/432065304.db2.gz NRYFCIBKMMJNSD-BXUZGUMPSA-N 1 0 321.346 3.428 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000087133748 192625620 /nfs/dbraw/zinc/62/56/20/192625620.db2.gz KQYDTRSGQFTAGH-KBPBESRZSA-N 1 0 309.429 3.225 10 0 DGAERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccccn1 ZINC000179741521 432069340 /nfs/dbraw/zinc/06/93/40/432069340.db2.gz ZVRJUYHLAJFULL-AWEZNQCLSA-N 1 0 312.417 3.123 10 0 DGAERO C[C@@]1(c2nc(-c3ccc(Br)cc3)no2)CCCC[NH2+]1 ZINC000133842085 432071007 /nfs/dbraw/zinc/07/10/07/432071007.db2.gz MOENTOAJWQZPJH-AWEZNQCLSA-N 1 0 322.206 3.488 10 0 DGAERO c1cc(C2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)n[nH]1 ZINC000179849933 432072671 /nfs/dbraw/zinc/07/26/71/432072671.db2.gz VOGYQUFAXZPUPX-UHFFFAOYSA-N 1 0 307.401 3.179 10 0 DGAERO Cc1cc(Cl)cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000134028551 432073308 /nfs/dbraw/zinc/07/33/08/432073308.db2.gz NFFNCMXMNAHNBL-CZUORRHYSA-N 1 0 306.837 3.253 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000179400425 199029054 /nfs/dbraw/zinc/02/90/54/199029054.db2.gz MNSNNMVMINYOBS-OAHLLOKOSA-N 1 0 317.477 3.050 10 0 DGAERO CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CCCC1 ZINC000179486538 199044657 /nfs/dbraw/zinc/04/46/57/199044657.db2.gz JDKCTVZGLFIFFP-IRXDYDNUSA-N 1 0 301.434 3.016 10 0 DGAERO CCSc1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000179857061 199088805 /nfs/dbraw/zinc/08/88/05/199088805.db2.gz BXGXNRHHIVNMGU-ZFWWWQNUSA-N 1 0 319.474 3.499 10 0 DGAERO CC(C)c1nnc(NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000180042106 199111296 /nfs/dbraw/zinc/11/12/96/199111296.db2.gz LAEYZTBJPKMTEM-UHFFFAOYSA-N 1 0 317.462 3.385 10 0 DGAERO CC[C@@H]1CCC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000185077967 199806132 /nfs/dbraw/zinc/80/61/32/199806132.db2.gz IGIZIFMWYUYARB-ZBFHGGJFSA-N 1 0 321.440 3.116 10 0 DGAERO COc1ccc([C@@H](C)C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000180125428 199119992 /nfs/dbraw/zinc/11/99/92/199119992.db2.gz ANFVAZSWKRZXKW-INIZCTEOSA-N 1 0 313.445 3.407 10 0 DGAERO Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180199494 199129443 /nfs/dbraw/zinc/12/94/43/199129443.db2.gz HLXMKRDIBPZTGE-LSDHHAIUSA-N 1 0 300.427 3.232 10 0 DGAERO COCc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180162194 199124669 /nfs/dbraw/zinc/12/46/69/199124669.db2.gz LRICKEFAJDTFAT-OALUTQOASA-N 1 0 324.424 3.008 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCO2)cc1NC(C)=O ZINC000180267014 199138774 /nfs/dbraw/zinc/13/87/74/199138774.db2.gz ZASYPCWVXQNOHI-BBRMVZONSA-N 1 0 320.433 3.263 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCO2)cc1NC(C)=O ZINC000180267044 199139050 /nfs/dbraw/zinc/13/90/50/199139050.db2.gz ZASYPCWVXQNOHI-XJKSGUPXSA-N 1 0 320.433 3.263 10 0 DGAERO COc1cccc(F)c1[C@@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000237282680 202216518 /nfs/dbraw/zinc/21/65/18/202216518.db2.gz OTMXAHDRSZEVCU-DOMZBBRYSA-N 1 0 316.376 3.102 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000237288118 202217893 /nfs/dbraw/zinc/21/78/93/202217893.db2.gz OJZNUPWOEQIWKQ-HZSPNIEDSA-N 1 0 322.424 3.037 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000237288267 202219120 /nfs/dbraw/zinc/21/91/20/202219120.db2.gz OJZNUPWOEQIWKQ-MELADBBJSA-N 1 0 322.424 3.037 10 0 DGAERO Cn1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c(-c2ccccc2)n1 ZINC000179982161 432075562 /nfs/dbraw/zinc/07/55/62/432075562.db2.gz WSJYJRJVANPCAD-UHFFFAOYSA-N 1 0 321.428 3.190 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000170651749 432075472 /nfs/dbraw/zinc/07/54/72/432075472.db2.gz OWDBXNHFNSVECR-WMZOPIPTSA-N 1 0 302.462 3.388 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C2CCSCC2)cc1NC(C)=O ZINC000180511012 199168711 /nfs/dbraw/zinc/16/87/11/199168711.db2.gz WTENQEUSIYUNIH-LLVKDONJSA-N 1 0 308.447 3.200 10 0 DGAERO CSc1ccc(CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000237319969 202230345 /nfs/dbraw/zinc/23/03/45/202230345.db2.gz LLUVLWNHYVOZPB-ZFWWWQNUSA-N 1 0 306.475 3.051 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@@H]1C ZINC000395161619 293837413 /nfs/dbraw/zinc/83/74/13/293837413.db2.gz NHYYKGXQIQJMBK-GIPNMCIBSA-N 1 0 311.223 3.022 10 0 DGAERO Cc1cc2cc([C@H](C)[NH2+][C@H]3CCc4ncnn4C3)oc2cc1C ZINC000180598126 199182246 /nfs/dbraw/zinc/18/22/46/199182246.db2.gz VIUBQZHRCCCQTE-ZFWWWQNUSA-N 1 0 310.401 3.307 10 0 DGAERO Cc1nc2cc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)ccc2o1 ZINC000237382780 202250326 /nfs/dbraw/zinc/25/03/26/202250326.db2.gz PFJLOKGMAULNCO-AAEUAGOBSA-N 1 0 301.390 3.101 10 0 DGAERO C[C@H]1C[N@H+](CCOc2cccc(Br)c2)CCS1 ZINC000134344203 432076287 /nfs/dbraw/zinc/07/62/87/432076287.db2.gz FMKMROBYEFSACC-NSHDSACASA-N 1 0 316.264 3.265 10 0 DGAERO CCOC(=O)CCCC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180649887 199190523 /nfs/dbraw/zinc/19/05/23/199190523.db2.gz BNCVITNUYCTIFS-HNNXBMFYSA-N 1 0 315.417 3.256 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000179997611 432076182 /nfs/dbraw/zinc/07/61/82/432076182.db2.gz KHISVYYJICAZPX-BZUAXINKSA-N 1 0 311.466 3.103 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000180667777 199193074 /nfs/dbraw/zinc/19/30/74/199193074.db2.gz WKIGXVZEKIFQJQ-OXJNMPFZSA-N 1 0 321.424 3.127 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@H]2CCc3ncnn3C2)c2ccccc2)cc1 ZINC000180852978 199218961 /nfs/dbraw/zinc/21/89/61/199218961.db2.gz TUMKUEJIFJYXKC-AZUAARDMSA-N 1 0 318.424 3.281 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000180041858 432077292 /nfs/dbraw/zinc/07/72/92/432077292.db2.gz ANHAELONCWJAGA-WIYYLYMNSA-N 1 0 324.468 3.395 10 0 DGAERO Cn1nccc1C[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180093846 432078237 /nfs/dbraw/zinc/07/82/37/432078237.db2.gz PDYBMCAUBHOGPQ-UHFFFAOYSA-N 1 0 303.409 3.398 10 0 DGAERO COCc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000180141337 432078922 /nfs/dbraw/zinc/07/89/22/432078922.db2.gz BAXHSWPJQCKKIS-OALUTQOASA-N 1 0 324.424 3.008 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000180167051 432080252 /nfs/dbraw/zinc/08/02/52/432080252.db2.gz BMPNOOPQNVFTNU-HNNXBMFYSA-N 1 0 324.431 3.180 10 0 DGAERO CC(C)CCOC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000170777056 432080535 /nfs/dbraw/zinc/08/05/35/432080535.db2.gz IZIFKVNBMHAFDU-IBGZPJMESA-N 1 0 305.462 3.421 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000170788671 432081958 /nfs/dbraw/zinc/08/19/58/432081958.db2.gz WQMOXQOCAYBZEL-IAGOWNOFSA-N 1 0 310.482 3.059 10 0 DGAERO c1nc(C2CCC2)sc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415060885 237045835 /nfs/dbraw/zinc/04/58/35/237045835.db2.gz ZFAKHVHPZBAPLG-GOEBONIOSA-N 1 0 305.491 3.375 10 0 DGAERO c1nc(C2CCC2)sc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415060887 237047496 /nfs/dbraw/zinc/04/74/96/237047496.db2.gz ZFAKHVHPZBAPLG-HOCLYGCPSA-N 1 0 305.491 3.375 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000186790199 200011071 /nfs/dbraw/zinc/01/10/71/200011071.db2.gz MFPVPJZKLOIROI-WFASDCNBSA-N 1 0 308.853 3.023 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000186824904 200016858 /nfs/dbraw/zinc/01/68/58/200016858.db2.gz ZOCINBGWFWKBBD-IWCVFHTOSA-N 1 0 300.446 3.075 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000186835352 200018997 /nfs/dbraw/zinc/01/89/97/200018997.db2.gz SXXRLWUQYWESFY-BEFAXECRSA-N 1 0 308.425 3.010 10 0 DGAERO CC(C)c1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c2ccccc2n1 ZINC000186765455 200006251 /nfs/dbraw/zinc/00/62/51/200006251.db2.gz JKYNGZQTKWMIAH-ACJLOTCBSA-N 1 0 311.429 3.086 10 0 DGAERO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000089732108 192852762 /nfs/dbraw/zinc/85/27/62/192852762.db2.gz KQUURMLHQUKGCG-SJLPKXTDSA-N 1 0 310.445 3.413 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCN1CCCC1=O)CCS2 ZINC000186938937 200034954 /nfs/dbraw/zinc/03/49/54/200034954.db2.gz BRFICBQIXSHVOO-INIZCTEOSA-N 1 0 318.486 3.442 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000186835369 200019425 /nfs/dbraw/zinc/01/94/25/200019425.db2.gz SXXRLWUQYWESFY-KXBFYZLASA-N 1 0 308.425 3.010 10 0 DGAERO CC(C)NC(=O)CC[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000186884680 200027078 /nfs/dbraw/zinc/02/70/78/200027078.db2.gz UZTZAUJSNBTYAB-UHFFFAOYSA-N 1 0 300.805 3.219 10 0 DGAERO CC(C)[NH+]1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000187003097 200045894 /nfs/dbraw/zinc/04/58/94/200045894.db2.gz QWDHRWHDVWXZOE-UHFFFAOYSA-N 1 0 311.376 3.356 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2COc2ccccc2)C1 ZINC000170857951 432084697 /nfs/dbraw/zinc/08/46/97/432084697.db2.gz KBIGSPQUDJCJEQ-QGZVFWFLSA-N 1 0 324.424 3.042 10 0 DGAERO Cc1ccc2cc(C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)ccc2n1 ZINC000187332850 200097678 /nfs/dbraw/zinc/09/76/78/200097678.db2.gz SMRONUROCHYVCH-QGZVFWFLSA-N 1 0 306.413 3.266 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)C1 ZINC000170859267 432084874 /nfs/dbraw/zinc/08/48/74/432084874.db2.gz WNKQQIOVMMDZKZ-QGZVFWFLSA-N 1 0 302.462 3.079 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)Cc2ccccc2)C12CCOCC2 ZINC000187403716 200107223 /nfs/dbraw/zinc/10/72/23/200107223.db2.gz KDHVFUUZLSLXFJ-QXAKKESOSA-N 1 0 317.473 3.429 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000170863565 432085066 /nfs/dbraw/zinc/08/50/66/432085066.db2.gz ZXRSXLDKNNXGJW-INIZCTEOSA-N 1 0 310.397 3.255 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1c(Cl)ccc(F)c1Cl ZINC000237529183 202272283 /nfs/dbraw/zinc/27/22/83/202272283.db2.gz WVENZCQIOUSSQR-XHNCKOQMSA-N 1 0 319.207 3.437 10 0 DGAERO COCc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188116993 200196776 /nfs/dbraw/zinc/19/67/76/200196776.db2.gz WUESLJSHHRLUFQ-ROUUACIJSA-N 1 0 317.454 3.102 10 0 DGAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000237560852 202283657 /nfs/dbraw/zinc/28/36/57/202283657.db2.gz ZYKWCRUHAHVRPJ-XHDPSFHLSA-N 1 0 314.351 3.272 10 0 DGAERO CCOCc1cc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)ccc1OC ZINC000188295494 200223269 /nfs/dbraw/zinc/22/32/69/200223269.db2.gz FEQVUOWIYARLJV-RDTXWAMCSA-N 1 0 307.434 3.089 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N1CCC(C[NH3+])CC1 ZINC000237735343 202342373 /nfs/dbraw/zinc/34/23/73/202342373.db2.gz RJLROXYARHQNFQ-UHFFFAOYSA-N 1 0 306.793 3.206 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000237757325 202348187 /nfs/dbraw/zinc/34/81/87/202348187.db2.gz VKIJVHJTZBQQGB-IUODEOHRSA-N 1 0 324.827 3.231 10 0 DGAERO [NH3+]C[C@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2)c1 ZINC000237963484 283499207 /nfs/dbraw/zinc/49/92/07/283499207.db2.gz YLZYJQJZXXRHGP-GOSISDBHSA-N 1 0 324.424 3.219 10 0 DGAERO c1cc(C[NH+]2CCCCC2)ccc1CSC[C@H]1COCCO1 ZINC000419563587 237680995 /nfs/dbraw/zinc/68/09/95/237680995.db2.gz WJMBZQJFIYLSLO-GOSISDBHSA-N 1 0 321.486 3.321 10 0 DGAERO CC(C)(C)c1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)s1 ZINC000188700289 200289673 /nfs/dbraw/zinc/28/96/73/200289673.db2.gz OGCALQGFTGXWPJ-UHFFFAOYSA-N 1 0 320.502 3.490 10 0 DGAERO CCc1cccc2c(CC(=O)N(CC)CCC[NH+](C)C)c[nH]c21 ZINC000188892700 200317622 /nfs/dbraw/zinc/31/76/22/200317622.db2.gz ARNYRBIWDLNCDT-UHFFFAOYSA-N 1 0 315.461 3.073 10 0 DGAERO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3cccc(O)c3)C2=O)c(C)c1 ZINC000188942801 200325063 /nfs/dbraw/zinc/32/50/63/200325063.db2.gz AWFQEHCULHHXMV-SFHVURJKSA-N 1 0 324.424 3.213 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000188927393 200323538 /nfs/dbraw/zinc/32/35/38/200323538.db2.gz UNHDZHKEKKQZMS-GFCCVEGCSA-N 1 0 322.815 3.470 10 0 DGAERO CCc1nn(C)cc1C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000180490422 432088182 /nfs/dbraw/zinc/08/81/82/432088182.db2.gz SMGHGOBGTHWFJA-MRXNPFEDSA-N 1 0 319.836 3.289 10 0 DGAERO [NH3+]Cc1cc(Cl)c(Cl)c(I)c1 ZINC000098095786 283526760 /nfs/dbraw/zinc/52/67/60/283526760.db2.gz HQHMXVHGERCMFP-UHFFFAOYSA-N 1 0 301.942 3.057 10 0 DGAERO C[NH+](C)CCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000005957935 181300920 /nfs/dbraw/zinc/30/09/20/181300920.db2.gz SMIVWJCBSIJRRL-UHFFFAOYSA-N 1 0 309.365 3.400 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1N1CCCC1 ZINC000043456910 283552709 /nfs/dbraw/zinc/55/27/09/283552709.db2.gz GCCUJWIJZPBNLO-HNNXBMFYSA-N 1 0 318.465 3.139 10 0 DGAERO COCc1ccsc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000180511702 432089510 /nfs/dbraw/zinc/08/95/10/432089510.db2.gz ARPCPCZRIJLEJX-UHFFFAOYSA-N 1 0 324.490 3.136 10 0 DGAERO Cc1nc(NC(=O)NCCC[NH+]2CCCCCC2)sc1C ZINC000043551237 283554560 /nfs/dbraw/zinc/55/45/60/283554560.db2.gz MHMZHHXSJYVNEP-UHFFFAOYSA-N 1 0 310.467 3.148 10 0 DGAERO Cc1ccc(NC(=O)c2ccccc2OCC[NH+](C)C)cc1C ZINC000047295565 283563091 /nfs/dbraw/zinc/56/30/91/283563091.db2.gz JURMOKNATCSGJT-UHFFFAOYSA-N 1 0 312.413 3.496 10 0 DGAERO COc1cccc2cc([C@@H](C)[NH2+]CC3(C)OCCCO3)oc21 ZINC000190664423 200570951 /nfs/dbraw/zinc/57/09/51/200570951.db2.gz IQEGRQGSROZMHK-GFCCVEGCSA-N 1 0 305.374 3.245 10 0 DGAERO O=C(C[C@@H]1CCCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000170976851 432091141 /nfs/dbraw/zinc/09/11/41/432091141.db2.gz IGWUOMZNVULYJC-INIZCTEOSA-N 1 0 312.457 3.240 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(F)cc1C(F)(F)F ZINC000134957863 432092288 /nfs/dbraw/zinc/09/22/88/432092288.db2.gz YLUVTYJTCJLSCB-JTQLQIEISA-N 1 0 320.330 3.305 10 0 DGAERO O=C(C[N+]1=C2SCCN2C[C@@H]1c1ccccc1)c1ccccc1 ZINC000006116484 181313075 /nfs/dbraw/zinc/31/30/75/181313075.db2.gz OLQCVOAQCJAAMJ-QGZVFWFLSA-N 1 0 323.441 3.042 10 0 DGAERO COCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CC[C@H](C)C1 ZINC000434986947 238260140 /nfs/dbraw/zinc/26/01/40/238260140.db2.gz QYKYRKZKFYXHQF-KBPBESRZSA-N 1 0 303.406 3.307 10 0 DGAERO CCc1ccsc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000053135869 283602878 /nfs/dbraw/zinc/60/28/78/283602878.db2.gz YROBACLGIDSONV-INIZCTEOSA-N 1 0 316.470 3.213 10 0 DGAERO C[C@H](CCNC(=O)N1CCC12CCC2)[N@H+](C)Cc1ccccc1 ZINC000435565173 238318681 /nfs/dbraw/zinc/31/86/81/238318681.db2.gz RIOJGHYPQJDARH-MRXNPFEDSA-N 1 0 315.461 3.235 10 0 DGAERO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCO1)c1ccccc1 ZINC000246101328 432094006 /nfs/dbraw/zinc/09/40/06/432094006.db2.gz JRAKBYQNDZCROM-NXHRZFHOSA-N 1 0 318.461 3.143 10 0 DGAERO CCCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1 ZINC000246104384 432094485 /nfs/dbraw/zinc/09/44/85/432094485.db2.gz JLBPFXMOQYXMDQ-BHIYHBOVSA-N 1 0 319.445 3.244 10 0 DGAERO C[C@]([NH3+])(C(=O)NCc1ccccc1OC1CCC1)c1ccccc1 ZINC000192490280 200888063 /nfs/dbraw/zinc/88/80/63/200888063.db2.gz ZFLOYGGDBCIWGR-HXUWFJFHSA-N 1 0 324.424 3.108 10 0 DGAERO C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000152965976 299321272 /nfs/dbraw/zinc/32/12/72/299321272.db2.gz SGUBLHMPSXVMQG-WDSOQIARSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1ccc(-c2csc(NC(=O)CC[C@@H](C)[NH3+])n2)cc1C ZINC000193173204 201001825 /nfs/dbraw/zinc/00/18/25/201001825.db2.gz GWVBURQPCFYYGB-GFCCVEGCSA-N 1 0 303.431 3.493 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193612598 201086704 /nfs/dbraw/zinc/08/67/04/201086704.db2.gz BULDCFMHYXSHCQ-MFKMUULPSA-N 1 0 306.793 3.265 10 0 DGAERO C=Cn1cc(C[N@H+]2CCC[C@@H](c3nc(CC)cs3)C2)cn1 ZINC000193845213 201132471 /nfs/dbraw/zinc/13/24/71/201132471.db2.gz JAUVZKHBKXGFFP-CQSZACIVSA-N 1 0 302.447 3.382 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000281493520 216339550 /nfs/dbraw/zinc/33/95/50/216339550.db2.gz QQLVJQDIGYNQFN-CABZTGNLSA-N 1 0 302.187 3.103 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc(-c2ccco2)s1 ZINC000194390717 201216818 /nfs/dbraw/zinc/21/68/18/201216818.db2.gz RQVPBCUMSPHRJE-ZDUSSCGKSA-N 1 0 305.447 3.319 10 0 DGAERO Cc1cc(C)c(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246130730 432098332 /nfs/dbraw/zinc/09/83/32/432098332.db2.gz IXKJKPAARSNINU-IRXDYDNUSA-N 1 0 317.477 3.236 10 0 DGAERO CC(C)(C)[C@@H](CO)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000194634444 201266118 /nfs/dbraw/zinc/26/61/18/201266118.db2.gz IGCWACZZCCKEET-GOSISDBHSA-N 1 0 314.429 3.157 10 0 DGAERO C[C@@H](C[NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccccc1 ZINC000194714215 201277634 /nfs/dbraw/zinc/27/76/34/201277634.db2.gz YRENKEKIGSFIER-HNNXBMFYSA-N 1 0 322.412 3.277 10 0 DGAERO CCn1cc([C@H]2C[N@H+](CC[C@@H](C)c3ccccc3)CCO2)cn1 ZINC000194879196 201305203 /nfs/dbraw/zinc/30/52/03/201305203.db2.gz FNSXVTRSQLXNFS-VQIMIIECSA-N 1 0 313.445 3.470 10 0 DGAERO CN(Cc1ccc(F)cc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000068255704 283711092 /nfs/dbraw/zinc/71/10/92/283711092.db2.gz YUPXIUVYWRFIFI-UHFFFAOYSA-N 1 0 300.377 3.160 10 0 DGAERO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000195252349 201366088 /nfs/dbraw/zinc/36/60/88/201366088.db2.gz NGVOBISLXHQZDT-HOTGVXAUSA-N 1 0 305.491 3.314 10 0 DGAERO CC(C)OC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000135123466 432099581 /nfs/dbraw/zinc/09/95/81/432099581.db2.gz QFYKWNQTFZOHNE-MAUKXSAKSA-N 1 0 318.461 3.166 10 0 DGAERO O=C(C1CC[NH+](C2CC2)CC1)N(Cc1ccco1)C1CCCC1 ZINC000195339491 201381993 /nfs/dbraw/zinc/38/19/93/201381993.db2.gz RBZQXXVCPWMPMH-UHFFFAOYSA-N 1 0 316.445 3.425 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000171074033 432100062 /nfs/dbraw/zinc/10/00/62/432100062.db2.gz PGJGJKDPLSJUOM-HNNXBMFYSA-N 1 0 309.413 3.106 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000246269742 202576172 /nfs/dbraw/zinc/57/61/72/202576172.db2.gz LSUGDSSFPMWEJX-ZZIHQOKHSA-N 1 0 306.837 3.281 10 0 DGAERO CC[C@H](C)Oc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000171081382 432101582 /nfs/dbraw/zinc/10/15/82/432101582.db2.gz AAKKRCSSYJQQEM-DZGCQCFKSA-N 1 0 305.422 3.032 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000246170842 432101895 /nfs/dbraw/zinc/10/18/95/432101895.db2.gz LCDAKIAIDFPNSF-CWRNSKLLSA-N 1 0 321.440 3.367 10 0 DGAERO Cn1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000246166420 432102168 /nfs/dbraw/zinc/10/21/68/432102168.db2.gz DZXBGIXVRPODSR-RBUKOAKNSA-N 1 0 313.445 3.288 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)C(=O)Nc1ccccc1 ZINC000162968693 299344225 /nfs/dbraw/zinc/34/42/25/299344225.db2.gz ALMWOIBRZNFJDX-GRDNDAEWSA-N 1 0 310.397 3.168 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000171109681 432103696 /nfs/dbraw/zinc/10/36/96/432103696.db2.gz HFVQONVZVMHFPW-GOSISDBHSA-N 1 0 318.461 3.307 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000171109676 432103777 /nfs/dbraw/zinc/10/37/77/432103777.db2.gz HFVQONVZVMHFPW-SFHVURJKSA-N 1 0 318.461 3.307 10 0 DGAERO COCc1ccsc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000180865251 432103910 /nfs/dbraw/zinc/10/39/10/432103910.db2.gz VZZYWNFKZPTTIV-DYVFJYSZSA-N 1 0 324.490 3.135 10 0 DGAERO Cc1cc(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)co1 ZINC000275458770 212345969 /nfs/dbraw/zinc/34/59/69/212345969.db2.gz JKDHVCFXZYLHPW-OAHLLOKOSA-N 1 0 313.401 3.059 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)[nH]n1 ZINC000449195924 240062515 /nfs/dbraw/zinc/06/25/15/240062515.db2.gz WZKZPGXPDRIMPP-ISVAXAHUSA-N 1 0 309.335 3.344 10 0 DGAERO C[C@H](C[N@H+](C)C[C@H]1CC=CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239393 240085615 /nfs/dbraw/zinc/08/56/15/240085615.db2.gz JJCNEROKIYDDMC-CVEARBPZSA-N 1 0 321.486 3.482 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CSc2ccc(F)cc2)C1 ZINC000246185353 432104360 /nfs/dbraw/zinc/10/43/60/432104360.db2.gz NNZPDCIMGMJFJD-UKRRQHHQSA-N 1 0 324.465 3.154 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@@H](CC)C2CCCC2)n1 ZINC000449273712 240103341 /nfs/dbraw/zinc/10/33/41/240103341.db2.gz ZJWUCCFGYPOFIY-ZDUSSCGKSA-N 1 0 310.463 3.421 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449281093 240106338 /nfs/dbraw/zinc/10/63/38/240106338.db2.gz CDLYVLYUAQQYLM-UTKZUKDTSA-N 1 0 322.452 3.146 10 0 DGAERO COc1cc(F)cc(C[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000449310683 240125205 /nfs/dbraw/zinc/12/52/05/240125205.db2.gz HYRZARHXNJMAAO-UHFFFAOYSA-N 1 0 312.291 3.121 10 0 DGAERO Cc1nc(C[NH2+][C@H](C)C2CCOCC2)sc1Br ZINC000449403178 240180584 /nfs/dbraw/zinc/18/05/84/240180584.db2.gz VBMICZRIBJRDNJ-MRVPVSSYSA-N 1 0 319.268 3.119 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000449510568 240258489 /nfs/dbraw/zinc/25/84/89/240258489.db2.gz QJQHKTAHXRYWIH-WMZOPIPTSA-N 1 0 309.450 3.083 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000449510565 240258836 /nfs/dbraw/zinc/25/88/36/240258836.db2.gz QJQHKTAHXRYWIH-AEFFLSMTSA-N 1 0 309.450 3.083 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCO[C@@H]2C(C)C)cc1OC ZINC000275357971 212289017 /nfs/dbraw/zinc/28/90/17/212289017.db2.gz AQRALQNTAGHISC-IDHHARJASA-N 1 0 321.461 3.286 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCCC1(C)C)c1ccco1 ZINC000077521340 283851810 /nfs/dbraw/zinc/85/18/10/283851810.db2.gz PEHDPUFIYLAASX-CQSZACIVSA-N 1 0 307.438 3.247 10 0 DGAERO C[C@@H]([NH2+]CCCCC(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000091320303 193039834 /nfs/dbraw/zinc/03/98/34/193039834.db2.gz ABVXMTQHRVIUHJ-CYBMUJFWSA-N 1 0 312.479 3.201 10 0 DGAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CC=CCC1 ZINC000077547217 283852235 /nfs/dbraw/zinc/85/22/35/283852235.db2.gz AKCHEZMVSFNEKC-SFHVURJKSA-N 1 0 313.445 3.190 10 0 DGAERO Cc1cc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1Br ZINC000091472076 193061508 /nfs/dbraw/zinc/06/15/08/193061508.db2.gz GFVFSTMQPZVZKE-IUODEOHRSA-N 1 0 311.267 3.459 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(c3cccnn3)C1)CCC2 ZINC000180929565 432106946 /nfs/dbraw/zinc/10/69/46/432106946.db2.gz QAVQQDUCOVJSRS-MJGOQNOKSA-N 1 0 322.456 3.421 10 0 DGAERO COC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000189977830 432108063 /nfs/dbraw/zinc/10/80/63/432108063.db2.gz WCLMXHVIYOJSHF-VHSXEESVSA-N 1 0 302.212 3.143 10 0 DGAERO CCC(CC)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000079567628 283883652 /nfs/dbraw/zinc/88/36/52/283883652.db2.gz FTYJHQKQNAETON-UHFFFAOYSA-N 1 0 309.429 3.088 10 0 DGAERO CC[C@H](CO)[N@H+](C)CC1(COc2cccc(COC)c2)CCC1 ZINC000451158390 241025649 /nfs/dbraw/zinc/02/56/49/241025649.db2.gz KLZJNNXKOIVPKK-QGZVFWFLSA-N 1 0 321.461 3.085 10 0 DGAERO C[C@H](CNC(=O)c1c[nH]c2cc(F)ccc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000246220118 432108608 /nfs/dbraw/zinc/10/86/08/432108608.db2.gz YUQLDOFPFHIFRX-CHWSQXEVSA-N 1 0 317.408 3.157 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452111649 241319572 /nfs/dbraw/zinc/31/95/72/241319572.db2.gz CXDJWBGZAMIBDO-HNNXBMFYSA-N 1 0 313.445 3.074 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000452347240 241393469 /nfs/dbraw/zinc/39/34/69/241393469.db2.gz YYGKQEUSSDESHW-INIZCTEOSA-N 1 0 310.482 3.009 10 0 DGAERO CC(C)C[C@@H](CNC(=O)C/C=C/c1ccc(F)cc1)[NH+](C)C ZINC000081724719 283925758 /nfs/dbraw/zinc/92/57/58/283925758.db2.gz XXYKCAAZVZKQAV-RTRPANQVSA-N 1 0 306.425 3.322 10 0 DGAERO COCc1ccc(C[N@H+]2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)cc1 ZINC000246232400 432110739 /nfs/dbraw/zinc/11/07/39/432110739.db2.gz ROXIZKIYZMNNMC-SQNIBIBYSA-N 1 0 317.429 3.139 10 0 DGAERO COC1([C@H](C)[NH2+]CCc2c[nH]c3cc(C)ccc23)CCOCC1 ZINC000453094839 241623858 /nfs/dbraw/zinc/62/38/58/241623858.db2.gz WFAGLDDUQYZPAY-HNNXBMFYSA-N 1 0 316.445 3.193 10 0 DGAERO Cc1ccc(C)c(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171195691 432111309 /nfs/dbraw/zinc/11/13/09/432111309.db2.gz RHTHWDLMVREZGM-UHFFFAOYSA-N 1 0 314.473 3.180 10 0 DGAERO OCCC1(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000190002884 432112009 /nfs/dbraw/zinc/11/20/09/432112009.db2.gz NAJKSNJHEIJUEG-UHFFFAOYSA-N 1 0 307.340 3.477 10 0 DGAERO Cc1nc(CN2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)cs1 ZINC000275276979 212242308 /nfs/dbraw/zinc/24/23/08/212242308.db2.gz JWZOAOQOGYYYNJ-OAHLLOKOSA-N 1 0 316.474 3.282 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(-c2ccoc2)n1 ZINC000246270972 432112941 /nfs/dbraw/zinc/11/29/41/432112941.db2.gz VXIXYZZGBVYGHF-HOTGVXAUSA-N 1 0 317.458 3.462 10 0 DGAERO Cn1cncc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246260868 432113289 /nfs/dbraw/zinc/11/32/89/432113289.db2.gz QTHAFZBKZFIHNQ-IEBWSBKVSA-N 1 0 313.445 3.288 10 0 DGAERO Cn1cncc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246260883 432113782 /nfs/dbraw/zinc/11/37/82/432113782.db2.gz QTHAFZBKZFIHNQ-PKOBYXMFSA-N 1 0 313.445 3.288 10 0 DGAERO CN1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000246286665 432114193 /nfs/dbraw/zinc/11/41/93/432114193.db2.gz MYZMAABEBCGBBG-WMZOPIPTSA-N 1 0 300.446 3.073 10 0 DGAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000092098284 193156647 /nfs/dbraw/zinc/15/66/47/193156647.db2.gz RKFPQDJLCFBPMB-MRXNPFEDSA-N 1 0 316.376 3.105 10 0 DGAERO C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000190022692 432115056 /nfs/dbraw/zinc/11/50/56/432115056.db2.gz GTBMNLQFYFRLAW-YJBOKZPZSA-N 1 0 316.445 3.079 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2Cl)C(C)C)C1 ZINC000091378177 284000226 /nfs/dbraw/zinc/00/02/26/284000226.db2.gz TVZOLMHXFGNEMA-XJKSGUPXSA-N 1 0 323.868 3.431 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc2ccn(C)c21 ZINC000190037100 432115886 /nfs/dbraw/zinc/11/58/86/432115886.db2.gz MDNIARAWCKJVRF-HNNXBMFYSA-N 1 0 314.433 3.126 10 0 DGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000102558527 284022571 /nfs/dbraw/zinc/02/25/71/284022571.db2.gz KKEMLHAEQPFGGC-CHWSQXEVSA-N 1 0 310.413 3.132 10 0 DGAERO CCC(CC)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103296761 284027730 /nfs/dbraw/zinc/02/77/30/284027730.db2.gz MUOFYTYRMRMSSS-MRXNPFEDSA-N 1 0 309.498 3.329 10 0 DGAERO CN(CC1CC[NH+](C)CC1)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000103450940 284030131 /nfs/dbraw/zinc/03/01/31/284030131.db2.gz LVPXEMHGPFXOEY-HXUWFJFHSA-N 1 0 314.473 3.081 10 0 DGAERO C[C@H]([NH2+]CCc1ccco1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105783407 284041359 /nfs/dbraw/zinc/04/13/59/284041359.db2.gz QTMLVUQUHFTKNX-GJZGRUSLSA-N 1 0 322.449 3.447 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246287709 432117284 /nfs/dbraw/zinc/11/72/84/432117284.db2.gz ANXAENFTRCTKHB-DOMZBBRYSA-N 1 0 309.841 3.499 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CCCCCC2)C[C@H]1C ZINC000459007622 243225690 /nfs/dbraw/zinc/22/56/90/243225690.db2.gz IDLWCEDAFHFBAX-NVXWUHKLSA-N 1 0 309.498 3.471 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459268671 243308251 /nfs/dbraw/zinc/30/82/51/243308251.db2.gz SLTRVNMESYMWCV-GOSISDBHSA-N 1 0 317.477 3.339 10 0 DGAERO c1cnnc(N2CCC[N@@H+](Cc3ccc(C4CC4)cc3)CC2)c1 ZINC000459334580 243339336 /nfs/dbraw/zinc/33/93/36/243339336.db2.gz LVWQDPJQPCDONE-UHFFFAOYSA-N 1 0 308.429 3.066 10 0 DGAERO c1cc(C2CC2)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000459331225 243339713 /nfs/dbraw/zinc/33/97/13/243339713.db2.gz CYVDHPXOCXEUIM-SFHVURJKSA-N 1 0 322.456 3.481 10 0 DGAERO c1nc(C2CC2)ncc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000459357688 243348280 /nfs/dbraw/zinc/34/82/80/243348280.db2.gz DANWKXUHKSRSCR-KRWDZBQOSA-N 1 0 301.434 3.278 10 0 DGAERO Cc1n[nH]c(C)c1[C@H]1COCCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000459357607 243348409 /nfs/dbraw/zinc/34/84/09/243348409.db2.gz PESXSWRXJNBKSC-OKZBNKHCSA-N 1 0 311.429 3.204 10 0 DGAERO c1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@]4(CCCOC4)C3)C2)cc1 ZINC000459358147 243348899 /nfs/dbraw/zinc/34/88/99/243348899.db2.gz MWFSMCIUJJYCIL-UXHICEINSA-N 1 0 314.473 3.154 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@H]1SC ZINC000459421200 243363796 /nfs/dbraw/zinc/36/37/96/243363796.db2.gz DHSMIBLDAYGSDC-BFHYXJOUSA-N 1 0 317.401 3.287 10 0 DGAERO COCCc1nc(C)c([C@H](C)[NH2+]CCCCSC)s1 ZINC000092750696 193188634 /nfs/dbraw/zinc/18/86/34/193188634.db2.gz HJNPKCSFALLFON-NSHDSACASA-N 1 0 302.509 3.434 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000112118595 284084366 /nfs/dbraw/zinc/08/43/66/284084366.db2.gz KCKDDBPHPHZGLT-MRXNPFEDSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C(C)(C)C ZINC000112443489 284091125 /nfs/dbraw/zinc/09/11/25/284091125.db2.gz XPOGLGUKZRDJIM-DOMZBBRYSA-N 1 0 309.429 3.162 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(s1)CCCCC2 ZINC000113229200 284100433 /nfs/dbraw/zinc/10/04/33/284100433.db2.gz SSLZBQKZXNPZOO-DZGCQCFKSA-N 1 0 318.486 3.326 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)CCc2ccc(F)cc2)n1 ZINC000468509646 244047995 /nfs/dbraw/zinc/04/79/95/244047995.db2.gz HHYTVZRXAOOYIA-CQSZACIVSA-N 1 0 302.393 3.383 10 0 DGAERO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)s1 ZINC000468893163 244072368 /nfs/dbraw/zinc/07/23/68/244072368.db2.gz GATAGNZLCDVVJU-KBPBESRZSA-N 1 0 313.488 3.210 10 0 DGAERO CC(C)[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000115834147 284116839 /nfs/dbraw/zinc/11/68/39/284116839.db2.gz LOHFKOGPMODBLI-CJNGLKHVSA-N 1 0 323.868 3.383 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000470950832 244197634 /nfs/dbraw/zinc/19/76/34/244197634.db2.gz SLFCQALJBVNLPI-GWCFXTLKSA-N 1 0 303.324 3.477 10 0 DGAERO C[C@@H](NC(=O)C[N@@H+]1CCC12CCC2)c1ccc2c(c1)CCCC2 ZINC000471039582 244201986 /nfs/dbraw/zinc/20/19/86/244201986.db2.gz WBYDIIXTFOLPJQ-OAHLLOKOSA-N 1 0 312.457 3.371 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000471782507 244245405 /nfs/dbraw/zinc/24/54/05/244245405.db2.gz SRNHRGMLXZSIKI-IACUBPJLSA-N 1 0 302.418 3.134 10 0 DGAERO C[C@H]1CCCC[C@@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119051096 284133142 /nfs/dbraw/zinc/13/31/42/284133142.db2.gz WZFXAKQFBPUPSI-OTBWCIGPSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCCC1)CS(C)(=O)=O ZINC000119091970 284134247 /nfs/dbraw/zinc/13/42/47/284134247.db2.gz XRIWQXJWUQBEAE-YOEHRIQHSA-N 1 0 309.475 3.188 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(CC(F)(F)F)cc1)[NH+](C)C ZINC000119228688 284138185 /nfs/dbraw/zinc/13/81/85/284138185.db2.gz OAUMVNORTFYISD-CYBMUJFWSA-N 1 0 302.340 3.460 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000473649752 244344701 /nfs/dbraw/zinc/34/47/01/244344701.db2.gz FFKRLLZIHYHEGW-RYQLBKOJSA-N 1 0 318.436 3.452 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000474265652 244383350 /nfs/dbraw/zinc/38/33/50/244383350.db2.gz LDBYBJRFSCZICW-MSOLQXFVSA-N 1 0 302.462 3.417 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1cccs1 ZINC000119480395 284144201 /nfs/dbraw/zinc/14/42/01/284144201.db2.gz YTKMTNAYGPLCJE-CQSZACIVSA-N 1 0 308.491 3.262 10 0 DGAERO CCN(CC)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119713950 284149774 /nfs/dbraw/zinc/14/97/74/284149774.db2.gz OCSUKZUAWPEQRR-SFHVURJKSA-N 1 0 303.450 3.093 10 0 DGAERO CC(C)[N@H+](CC(=O)NCCCC1CCCCC1)C1CCOCC1 ZINC000119588338 284146216 /nfs/dbraw/zinc/14/62/16/284146216.db2.gz WKLFRODLYFRXOS-UHFFFAOYSA-N 1 0 324.509 3.353 10 0 DGAERO Cc1ccc(N2CCC[N@H+](Cc3cccc(C)c3C)CC2)nn1 ZINC000093271800 193222443 /nfs/dbraw/zinc/22/24/43/193222443.db2.gz NOGZKAAXISYULO-UHFFFAOYSA-N 1 0 310.445 3.114 10 0 DGAERO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2cncs2)CC1 ZINC000093279887 193223931 /nfs/dbraw/zinc/22/39/31/193223931.db2.gz UOVXYTQQMWSDJM-MRXNPFEDSA-N 1 0 306.406 3.228 10 0 DGAERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1OC(C)C ZINC000093437319 193251273 /nfs/dbraw/zinc/25/12/73/193251273.db2.gz SSCVBGIHRFETGD-DOTOQJQBSA-N 1 0 318.461 3.151 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c(C)nn1C ZINC000093437832 193251575 /nfs/dbraw/zinc/25/15/75/193251575.db2.gz SMGRAPSNLCMMSJ-LJQANCHMSA-N 1 0 313.445 3.291 10 0 DGAERO COc1ccc2oc(CN3C[C@H]4CCC[N@@H+]4C[C@H]3C)cc2c1 ZINC000093437732 193251612 /nfs/dbraw/zinc/25/16/12/193251612.db2.gz ZWSYSJCRJHFCOB-UKRRQHHQSA-N 1 0 300.402 3.110 10 0 DGAERO COc1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc2c1OCCO2 ZINC000093441913 193253258 /nfs/dbraw/zinc/25/32/58/193253258.db2.gz UGFORQYYCWQIJF-GJZGRUSLSA-N 1 0 303.402 3.088 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000093455474 193253910 /nfs/dbraw/zinc/25/39/10/193253910.db2.gz ILQRAIPAQDKUAJ-MBNRZODZSA-N 1 0 309.409 3.300 10 0 DGAERO Oc1cccc([C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)c1 ZINC000093458100 193255129 /nfs/dbraw/zinc/25/51/29/193255129.db2.gz OUQPVPFLRLVKDF-LJQANCHMSA-N 1 0 308.381 3.447 10 0 DGAERO Cc1n[nH]cc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387346 193241728 /nfs/dbraw/zinc/24/17/28/193241728.db2.gz DRBHWHTYEIYGAY-INIZCTEOSA-N 1 0 321.428 3.488 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cc(OC)cc(OC)c1 ZINC000093764538 193301395 /nfs/dbraw/zinc/30/13/95/193301395.db2.gz YMBUHXPQJWOUCD-UHFFFAOYSA-N 1 0 306.431 3.225 10 0 DGAERO CCCn1nc(C)c(C[N@H+](C)CCc2ncc(C)s2)c1C ZINC000093773467 193305131 /nfs/dbraw/zinc/30/51/31/193305131.db2.gz UKIGGSFODIPMRJ-UHFFFAOYSA-N 1 0 306.479 3.349 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2cnc3ccc(C)cn23)s1 ZINC000093807434 193310752 /nfs/dbraw/zinc/31/07/52/193310752.db2.gz ICTRAABKDNUICI-UHFFFAOYSA-N 1 0 300.431 3.082 10 0 DGAERO CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644630 193280984 /nfs/dbraw/zinc/28/09/84/193280984.db2.gz XZYIBYODTFOANF-WBVHZDCISA-N 1 0 320.477 3.399 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000093643689 193281523 /nfs/dbraw/zinc/28/15/23/193281523.db2.gz MZTHOLOMDSJABE-CRAIPNDOSA-N 1 0 312.461 3.300 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CCN1C ZINC000093644843 193282353 /nfs/dbraw/zinc/28/23/53/193282353.db2.gz UJXBHJVSEROJBL-TZMCWYRMSA-N 1 0 316.367 3.500 10 0 DGAERO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000093643862 193282518 /nfs/dbraw/zinc/28/25/18/193282518.db2.gz IXCKAJKJUPDDBP-DOTOQJQBSA-N 1 0 320.477 3.397 10 0 DGAERO COc1ccc2oc(C[N@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)cc2c1 ZINC000093645096 193282725 /nfs/dbraw/zinc/28/27/25/193282725.db2.gz QJFWBYFTEOOWHS-DZGCQCFKSA-N 1 0 302.418 3.356 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3cncs3)C2)c1 ZINC000093837945 193314802 /nfs/dbraw/zinc/31/48/02/193314802.db2.gz WHLVQCPBHMPBDM-GFCCVEGCSA-N 1 0 304.415 3.150 10 0 DGAERO CN(CC(=O)NC(C)(C)C)Cc1ccccc1OC1CCCC1 ZINC000120650762 284174805 /nfs/dbraw/zinc/17/48/05/284174805.db2.gz GFPZHBQDSAVNEN-UHFFFAOYSA-N 1 0 318.461 3.355 10 0 DGAERO Cc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(Cl)cc1F ZINC000120574439 284172928 /nfs/dbraw/zinc/17/29/28/284172928.db2.gz TUGHBCSULIPSRD-LBPRGKRZSA-N 1 0 314.832 3.494 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC(C)(C)c2cccs2)[C@@H](C)C1 ZINC000120698112 284176203 /nfs/dbraw/zinc/17/62/03/284176203.db2.gz AOWQTDIVKVUPMB-KBPBESRZSA-N 1 0 323.506 3.054 10 0 DGAERO Fc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(F)c1 ZINC000094371626 193366581 /nfs/dbraw/zinc/36/65/81/193366581.db2.gz QMEGBWBMVXLSGH-CQSZACIVSA-N 1 0 313.413 3.499 10 0 DGAERO CCc1ccccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000120761239 284178273 /nfs/dbraw/zinc/17/82/73/284178273.db2.gz KCAFMEWURURIRN-UHFFFAOYSA-N 1 0 317.477 3.169 10 0 DGAERO Brc1ccc(COCCCC2CC[NH2+]CC2)cn1 ZINC000095092448 193422722 /nfs/dbraw/zinc/42/27/22/193422722.db2.gz PMCXJNIMVXTPTR-UHFFFAOYSA-N 1 0 313.239 3.141 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1sc(C)nc1C ZINC000247093708 284190084 /nfs/dbraw/zinc/19/00/84/284190084.db2.gz XQMAQPJNFUFLKB-RDBSUJKOSA-N 1 0 308.447 3.066 10 0 DGAERO CCc1noc([C@H](C)N2CC[NH+](CC3CCCCCC3)CC2)n1 ZINC000121354486 284194776 /nfs/dbraw/zinc/19/47/76/284194776.db2.gz DPCKYOBDEXIBQM-HNNXBMFYSA-N 1 0 320.481 3.281 10 0 DGAERO CCN(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000121660026 284202935 /nfs/dbraw/zinc/20/29/35/284202935.db2.gz QMCWPAVPXOPIAB-KRWDZBQOSA-N 1 0 305.466 3.194 10 0 DGAERO c1nc(N2CCOCC2)sc1C[NH2+]CC1CCCCCC1 ZINC000486808422 244990843 /nfs/dbraw/zinc/99/08/43/244990843.db2.gz KEUXFBWEFVJWNN-UHFFFAOYSA-N 1 0 309.479 3.040 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000246353470 432122191 /nfs/dbraw/zinc/12/21/91/432122191.db2.gz FVGQSOOACNOIDS-ALYAQQCSSA-N 1 0 309.498 3.183 10 0 DGAERO Cc1cc(C)cc(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246354710 432122229 /nfs/dbraw/zinc/12/22/29/432122229.db2.gz XGFJOSKXTOQKEW-WMZOPIPTSA-N 1 0 302.462 3.177 10 0 DGAERO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000122781085 284225331 /nfs/dbraw/zinc/22/53/31/284225331.db2.gz IZQVWNFJKDNLBU-HNNXBMFYSA-N 1 0 320.477 3.476 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)on1 ZINC000181289848 432122642 /nfs/dbraw/zinc/12/26/42/432122642.db2.gz XATHXTDMWJFUSK-OAHLLOKOSA-N 1 0 323.400 3.148 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c(OC)c1 ZINC000123111001 284232591 /nfs/dbraw/zinc/23/25/91/284232591.db2.gz ICCNKEHKDBMDMF-CABCVRRESA-N 1 0 308.466 3.331 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000123293461 284235558 /nfs/dbraw/zinc/23/55/58/284235558.db2.gz MOOANJVHFKCYMD-RYUDHWBXSA-N 1 0 317.260 3.365 10 0 DGAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3)C2=O)CS1 ZINC000488441328 245190791 /nfs/dbraw/zinc/19/07/91/245190791.db2.gz RXDMUIQXHVJDGK-KBMXLJTQSA-N 1 0 318.486 3.302 10 0 DGAERO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000488803125 245234131 /nfs/dbraw/zinc/23/41/31/245234131.db2.gz PCEAVIOTRDZDOE-RDJZCZTQSA-N 1 0 321.424 3.204 10 0 DGAERO CC[NH+](CC)CC1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000489329328 245293643 /nfs/dbraw/zinc/29/36/43/245293643.db2.gz LZAYLIBUWYVERP-UHFFFAOYSA-N 1 0 310.511 3.394 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)c(OC(C)C)c2)C1 ZINC000489598263 245328333 /nfs/dbraw/zinc/32/83/33/245328333.db2.gz ZFJZIRXWKKNEGR-HNNXBMFYSA-N 1 0 319.449 3.246 10 0 DGAERO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124228491 284255247 /nfs/dbraw/zinc/25/52/47/284255247.db2.gz DWQOPOQTPDXUAW-UONOGXRCSA-N 1 0 315.461 3.370 10 0 DGAERO COc1c(C)ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1C ZINC000246359020 432123879 /nfs/dbraw/zinc/12/38/79/432123879.db2.gz IGEFNUQSAGXTRI-CZUORRHYSA-N 1 0 319.449 3.162 10 0 DGAERO C[C@H](C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCCCC1 ZINC000246360141 432124104 /nfs/dbraw/zinc/12/41/04/432124104.db2.gz KRFLVWVEVPVPTC-MCIONIFRSA-N 1 0 320.399 3.488 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125314302 284273217 /nfs/dbraw/zinc/27/32/17/284273217.db2.gz GWAXBOZOFUTXQV-GTPINHCMSA-N 1 0 317.477 3.476 10 0 DGAERO CC(C)C[C@@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125282393 284272745 /nfs/dbraw/zinc/27/27/45/284272745.db2.gz XVKBQHWYVMCLFE-CGZBRXJRSA-N 1 0 309.498 3.184 10 0 DGAERO C[C@@H]1CCC[C@@H](C)N(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125443148 284276074 /nfs/dbraw/zinc/27/60/74/284276074.db2.gz OKEICXNQWHRGNZ-NUWOQIAWSA-N 1 0 309.498 3.327 10 0 DGAERO CC[C@H]([NH2+]CCCn1ccnn1)c1ccc(Br)cc1 ZINC000125615529 284279801 /nfs/dbraw/zinc/27/98/01/284279801.db2.gz ZOWRIOGPTFUKQI-AWEZNQCLSA-N 1 0 323.238 3.172 10 0 DGAERO CC(C)COC1CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000125820489 284284980 /nfs/dbraw/zinc/28/49/80/284284980.db2.gz BFLFLQJGYMEAPY-UHFFFAOYSA-N 1 0 318.461 3.025 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000282508317 217049658 /nfs/dbraw/zinc/04/96/58/217049658.db2.gz XFYFBUVCHIXXSS-RVBZMBCESA-N 1 0 301.217 3.311 10 0 DGAERO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)s1 ZINC000246372126 432125647 /nfs/dbraw/zinc/12/56/47/432125647.db2.gz OAVJDYDGNJQDTC-VXGBXAGGSA-N 1 0 314.882 3.496 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CSC2(C)C)c(SC)cc1OC ZINC000282618568 217128569 /nfs/dbraw/zinc/12/85/69/217128569.db2.gz FIVVEPUXCMAZEP-CQSZACIVSA-N 1 0 313.488 3.409 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C2CCCCC2)[C@@H](C)C1 ZINC000246395794 432126467 /nfs/dbraw/zinc/12/64/67/432126467.db2.gz JOLVKPBTOBECHH-ZOBUZTSGSA-N 1 0 309.498 3.327 10 0 DGAERO Oc1ccc2c(c1)O[C@H](C[NH2+]CCCOc1ccccc1)CC2 ZINC000013775926 181894715 /nfs/dbraw/zinc/89/47/15/181894715.db2.gz OSKPDOAXGBYHKG-SFHVURJKSA-N 1 0 313.397 3.145 10 0 DGAERO CC(C)CC[C@@](C)(O)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000127300990 284334283 /nfs/dbraw/zinc/33/42/83/284334283.db2.gz FEQGRZWXRNMJQL-FUHWJXTLSA-N 1 0 301.434 3.276 10 0 DGAERO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127315024 284334504 /nfs/dbraw/zinc/33/45/04/284334504.db2.gz IOKQGTTYFOTBPU-DOTOQJQBSA-N 1 0 316.445 3.485 10 0 DGAERO Cc1cccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000127239620 284332090 /nfs/dbraw/zinc/33/20/90/284332090.db2.gz ZPRILYYHAFXYRK-INIZCTEOSA-N 1 0 313.445 3.181 10 0 DGAERO CC(C)CC1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000127573644 284344382 /nfs/dbraw/zinc/34/43/82/284344382.db2.gz KHILUJKNUAJSKV-UHFFFAOYSA-N 1 0 321.509 3.330 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000127721818 284349813 /nfs/dbraw/zinc/34/98/13/284349813.db2.gz ZJVVSWWAFSPSSC-JTQLQIEISA-N 1 0 320.742 3.183 10 0 DGAERO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000135581617 432127778 /nfs/dbraw/zinc/12/77/78/432127778.db2.gz GRIIELRRKRDHFR-WBVHZDCISA-N 1 0 319.836 3.116 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)Cc2cccs2)[C@@H](C)C1 ZINC000246423766 432128684 /nfs/dbraw/zinc/12/86/84/432128684.db2.gz LZKYHIGJJNZIEZ-LZWOXQAQSA-N 1 0 323.506 3.051 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000128506265 284377705 /nfs/dbraw/zinc/37/77/05/284377705.db2.gz KWBDVLCTSBYAGE-YOEHRIQHSA-N 1 0 302.418 3.097 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)[C@@H](C)C1 ZINC000246426771 432130063 /nfs/dbraw/zinc/13/00/63/432130063.db2.gz MFOYNCCZJBILBD-VIQHNZTISA-N 1 0 309.498 3.183 10 0 DGAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCCCCC1 ZINC000019280030 182111964 /nfs/dbraw/zinc/11/19/64/182111964.db2.gz XJWAYWGEPPUSOM-SNVBAGLBSA-N 1 0 303.269 3.386 10 0 DGAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000019267793 182112143 /nfs/dbraw/zinc/11/21/43/182112143.db2.gz TZPXUMDWTQNOSJ-ZJUUUORDSA-N 1 0 303.269 3.385 10 0 DGAERO COc1ccccc1SC[C@H](C)C[NH2+]Cc1cncnc1 ZINC000171416743 432131636 /nfs/dbraw/zinc/13/16/36/432131636.db2.gz CWGURRVDDOYALY-CYBMUJFWSA-N 1 0 303.431 3.003 10 0 DGAERO COc1ccc2ccccc2c1C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000129497291 284412053 /nfs/dbraw/zinc/41/20/53/284412053.db2.gz MZYGUYFRYDPKHJ-LRTDBIEQSA-N 1 0 305.443 3.095 10 0 DGAERO CC(C)(C)/C=C\C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000493109577 245886493 /nfs/dbraw/zinc/88/64/93/245886493.db2.gz WONUKAMPCGSVLA-FPISAVPCSA-N 1 0 315.461 3.155 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccccc1Br ZINC000019946812 182169490 /nfs/dbraw/zinc/16/94/90/182169490.db2.gz HYUOMEYEBYSUMG-XHDPSFHLSA-N 1 0 309.251 3.194 10 0 DGAERO C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1COc2ccccc21 ZINC000190208568 432131826 /nfs/dbraw/zinc/13/18/26/432131826.db2.gz OCLAHHFLTYBXMA-WMLDXEAASA-N 1 0 317.429 3.074 10 0 DGAERO Nc1cc(Cl)cc(Cl)c1NC(=O)CC[NH+]1CCCCC1 ZINC000019980924 182172926 /nfs/dbraw/zinc/17/29/26/182172926.db2.gz UTGAGVPVRBOKHA-UHFFFAOYSA-N 1 0 316.232 3.390 10 0 DGAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)C1 ZINC000019982991 182173097 /nfs/dbraw/zinc/17/30/97/182173097.db2.gz JGKIAHKWFMJMJF-RISCZKNCSA-N 1 0 302.340 3.317 10 0 DGAERO C[C@H]([NH3+])c1ccc(Sc2nnc3n2CCCCC3)c(F)c1 ZINC000019986976 182173608 /nfs/dbraw/zinc/17/36/08/182173608.db2.gz NWGNTMVFIWMQNP-JTQLQIEISA-N 1 0 306.410 3.315 10 0 DGAERO CC(C)c1ccccc1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000019997190 182175485 /nfs/dbraw/zinc/17/54/85/182175485.db2.gz YUQPWKLNUYNIQS-UHFFFAOYSA-N 1 0 304.415 3.070 10 0 DGAERO COc1cccc(CN(C)[C@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000020226019 182198446 /nfs/dbraw/zinc/19/84/46/182198446.db2.gz FMNKRSHVQLQBNT-QGZVFWFLSA-N 1 0 304.821 3.480 10 0 DGAERO COc1ccc([C@@H](C[NH3+])N(C)Cc2ccccc2Cl)cc1 ZINC000020225860 182198900 /nfs/dbraw/zinc/19/89/00/182198900.db2.gz YPYXOIGSUJQNKW-QGZVFWFLSA-N 1 0 304.821 3.480 10 0 DGAERO COc1ccccc1[C@H](C[NH3+])N(C)Cc1ccc(Cl)cc1 ZINC000020225765 182198913 /nfs/dbraw/zinc/19/89/13/182198913.db2.gz OUOVSNDCFXAQJN-INIZCTEOSA-N 1 0 304.821 3.480 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C(C)(C)c2ccc(F)cc2)CC1 ZINC000129906712 284426776 /nfs/dbraw/zinc/42/67/76/284426776.db2.gz FMEVUYXVRIUOEZ-UHFFFAOYSA-N 1 0 320.452 3.340 10 0 DGAERO CCSc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)ccn1 ZINC000129885888 284426073 /nfs/dbraw/zinc/42/60/73/284426073.db2.gz NMZNNIXVIRSASG-UHFFFAOYSA-N 1 0 321.490 3.044 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000130067131 284431532 /nfs/dbraw/zinc/43/15/32/284431532.db2.gz MMKZFMGCXNMXNG-KXIUCKCTSA-N 1 0 306.494 3.439 10 0 DGAERO CCCOc1c(Cl)cc(CNCCC[NH2+]C)cc1Cl ZINC000020967494 182257164 /nfs/dbraw/zinc/25/71/64/182257164.db2.gz KSRBMNRMOUVAKA-UHFFFAOYSA-N 1 0 305.249 3.481 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000021517338 182277455 /nfs/dbraw/zinc/27/74/55/182277455.db2.gz XVPQSGHISRBIFT-ZDUSSCGKSA-N 1 0 304.777 3.377 10 0 DGAERO Cc1ccc(CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000022008033 182303586 /nfs/dbraw/zinc/30/35/86/182303586.db2.gz KQVOWPOURYTZQP-IBGZPJMESA-N 1 0 310.441 3.347 10 0 DGAERO COCC(C)(C)C[NH2+]CCc1ccccc1Br ZINC000494335232 246135070 /nfs/dbraw/zinc/13/50/70/246135070.db2.gz WQXAECWYYPZWRT-UHFFFAOYSA-N 1 0 300.240 3.254 10 0 DGAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(Br)o2)C1 ZINC000022221728 182313732 /nfs/dbraw/zinc/31/37/32/182313732.db2.gz RDEKJUUETMABDV-DCAQKATOSA-N 1 0 301.228 3.020 10 0 DGAERO c1ccc(COC2CC([NH2+][C@H]3CCO[C@H](C4CC4)C3)C2)cc1 ZINC000494774471 246189571 /nfs/dbraw/zinc/18/95/71/246189571.db2.gz ICUJVRDKUVEBOH-RGVPCPSESA-N 1 0 301.430 3.281 10 0 DGAERO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccs3)C2)ncn1 ZINC000246461212 432134709 /nfs/dbraw/zinc/13/47/09/432134709.db2.gz PWRDMGWVALQCJX-HIFRSBDPSA-N 1 0 316.474 3.420 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1F)c1ccco1 ZINC000246459531 432134748 /nfs/dbraw/zinc/13/47/48/432134748.db2.gz FQVZDSVJPZHIDO-XYPHTWIQSA-N 1 0 319.376 3.040 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@@H](C)c3c1cccc3C)CC2 ZINC000246476606 432135581 /nfs/dbraw/zinc/13/55/81/432135581.db2.gz QYESSURLUWVKFT-IIAWOOMASA-N 1 0 310.445 3.302 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@@H](C)c3c1cccc3C)CC2 ZINC000246476589 432135658 /nfs/dbraw/zinc/13/56/58/432135658.db2.gz QYESSURLUWVKFT-FMKPAKJESA-N 1 0 310.445 3.302 10 0 DGAERO Cn1c2ccccc2cc/c1=[NH+]/c1ccc(N2CCOCC2)cc1 ZINC000100297089 193797885 /nfs/dbraw/zinc/79/78/85/193797885.db2.gz QMQBIGNXUXRHPE-MRCUWXFGSA-N 1 0 319.408 3.247 10 0 DGAERO CCC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246495353 432138144 /nfs/dbraw/zinc/13/81/44/432138144.db2.gz SVZVHAQDTBCPIQ-ZWKOTPCHSA-N 1 0 315.461 3.408 10 0 DGAERO O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@@H]2CCCC[C@H]21 ZINC000262413595 296233238 /nfs/dbraw/zinc/23/32/38/296233238.db2.gz YKMROUIWLABMFQ-QFBILLFUSA-N 1 0 312.457 3.170 10 0 DGAERO Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171506093 432138905 /nfs/dbraw/zinc/13/89/05/432138905.db2.gz WUAIJTSPTPTYPV-OAHLLOKOSA-N 1 0 305.397 3.226 10 0 DGAERO C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000246518309 432139295 /nfs/dbraw/zinc/13/92/95/432139295.db2.gz BPQBXFDRZGOQEM-NXHRZFHOSA-N 1 0 305.462 3.288 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000246519309 432140414 /nfs/dbraw/zinc/14/04/14/432140414.db2.gz RETWVJRFKDFLPK-BMFZPTHFSA-N 1 0 306.837 3.425 10 0 DGAERO CC[N@@H+]1CC[C@@H](NCc2nnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000246527245 432140521 /nfs/dbraw/zinc/14/05/21/432140521.db2.gz VBAFHNZBZZJDKX-DZGCQCFKSA-N 1 0 316.474 3.025 10 0 DGAERO OC[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1c1ccsc1 ZINC000190283976 432140551 /nfs/dbraw/zinc/14/05/51/432140551.db2.gz DFZVCSNEMRSBNP-HOTGVXAUSA-N 1 0 305.418 3.138 10 0 DGAERO CC[C@@H](CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000171534933 432141492 /nfs/dbraw/zinc/14/14/92/432141492.db2.gz IZNXEUWNINROQW-FUHWJXTLSA-N 1 0 300.446 3.267 10 0 DGAERO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccsc3)C2)ncn1 ZINC000246513741 432140782 /nfs/dbraw/zinc/14/07/82/432140782.db2.gz UGCDVOKEVIHZQV-CJNGLKHVSA-N 1 0 316.474 3.420 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)CC[C@@H]1c1ccccc1 ZINC000246535097 432142414 /nfs/dbraw/zinc/14/24/14/432142414.db2.gz LJCGEHRMAJKWAZ-JZXOWHBKSA-N 1 0 323.502 3.183 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCc3occc32)[C@@H](C)C1 ZINC000246564003 432144415 /nfs/dbraw/zinc/14/44/15/432144415.db2.gz YCTYHQCYWDCGPH-BPUTZDHNSA-N 1 0 319.449 3.029 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCc2cccs2)C1 ZINC000246596581 432146875 /nfs/dbraw/zinc/14/68/75/432146875.db2.gz IUFAQHATUDKNSO-GOEBONIOSA-N 1 0 306.475 3.014 10 0 DGAERO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nnc3n2CCCC3)C1(C)C ZINC000181835918 432146768 /nfs/dbraw/zinc/14/67/68/432146768.db2.gz KOAPPPQFYBYCFW-RRFJBIMHSA-N 1 0 320.481 3.249 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000136191567 432147819 /nfs/dbraw/zinc/14/78/19/432147819.db2.gz BJZWLIPCEOUZQF-FZMZJTMJSA-N 1 0 316.214 3.229 10 0 DGAERO c1cc2c(c(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)c1)OCO2 ZINC000268977578 432148356 /nfs/dbraw/zinc/14/83/56/432148356.db2.gz PODZTZXAOZYSRL-OAHLLOKOSA-N 1 0 303.402 3.387 10 0 DGAERO CC(C)(C)OC(=O)N(CCCCC[NH3+])OCc1ccccc1 ZINC000039351798 183017285 /nfs/dbraw/zinc/01/72/85/183017285.db2.gz DHJOLNKVLZRNGD-UHFFFAOYSA-N 1 0 308.422 3.484 10 0 DGAERO CCOc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000040173937 183043113 /nfs/dbraw/zinc/04/31/13/183043113.db2.gz NLXKOZDDIGMFRE-QGZVFWFLSA-N 1 0 323.396 3.075 10 0 DGAERO Cc1cccc(C)c1NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000040173969 183043284 /nfs/dbraw/zinc/04/32/84/183043284.db2.gz SDTZDMNUAIYFGZ-MRXNPFEDSA-N 1 0 307.397 3.293 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000040502387 183084438 /nfs/dbraw/zinc/08/44/38/183084438.db2.gz TVOWIKIUPUPOGY-JTQLQIEISA-N 1 0 303.269 3.085 10 0 DGAERO Cc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000040746761 183128629 /nfs/dbraw/zinc/12/86/29/183128629.db2.gz VJBHADHPKLRXDR-ONXXMXGDSA-N 1 0 307.825 3.395 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2ccc(F)cc2nc1C ZINC000041915804 183225269 /nfs/dbraw/zinc/22/52/69/183225269.db2.gz FVVXDTVZWDBILY-GFCCVEGCSA-N 1 0 317.408 3.142 10 0 DGAERO CC[N@H+](Cc1ccc(Br)cc1F)[C@@H](C)COC ZINC000042252290 183247495 /nfs/dbraw/zinc/24/74/95/183247495.db2.gz OBSPEOWFICIRNY-JTQLQIEISA-N 1 0 304.203 3.445 10 0 DGAERO CC[N@H+](Cc1ccc(OC)c(Br)c1)[C@@H](C)COC ZINC000042252167 183247747 /nfs/dbraw/zinc/24/77/47/183247747.db2.gz NLSVRJNTZWJIFC-NSHDSACASA-N 1 0 316.239 3.315 10 0 DGAERO [NH3+]CCN(Cc1ccc(Br)cc1F)C1CCCC1 ZINC000042428316 183269457 /nfs/dbraw/zinc/26/94/57/183269457.db2.gz LXMDIYKTNPWZGV-UHFFFAOYSA-N 1 0 315.230 3.292 10 0 DGAERO CC[N@@H+](Cc1cc(Cl)ccc1OC)C[C@H](C)C(N)=S ZINC000042444164 183270973 /nfs/dbraw/zinc/27/09/73/183270973.db2.gz LFKJGGCMAFEBMP-JTQLQIEISA-N 1 0 300.855 3.093 10 0 DGAERO CC[NH2+]Cc1ccc(Br)cc1N(C)[C@@H](C)COC ZINC000042519067 183279791 /nfs/dbraw/zinc/27/97/91/183279791.db2.gz ANGZNWKFMQSSCH-NSHDSACASA-N 1 0 315.255 3.030 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1Br ZINC000042338125 183255939 /nfs/dbraw/zinc/25/59/39/183255939.db2.gz PKZBSTJKMKFLQZ-LBPRGKRZSA-N 1 0 314.223 3.069 10 0 DGAERO CN(Cc1csc(Br)c1)c1ccccc1C(N)=[NH2+] ZINC000042362465 183259376 /nfs/dbraw/zinc/25/93/76/183259376.db2.gz RNPXCEWNDRPRPK-UHFFFAOYSA-N 1 0 324.247 3.431 10 0 DGAERO COCC[N@@H+](Cc1ccc(N)cc1Br)CC(C)C ZINC000042367298 183260066 /nfs/dbraw/zinc/26/00/66/183260066.db2.gz VWHILDFGWHXNSQ-UHFFFAOYSA-N 1 0 315.255 3.136 10 0 DGAERO COc1cc(OC)c(OC)cc1C[NH2+]CCc1ccsc1 ZINC000042374015 183260427 /nfs/dbraw/zinc/26/04/27/183260427.db2.gz LHEIEFAAYUEXAX-UHFFFAOYSA-N 1 0 307.415 3.106 10 0 DGAERO C[N@@H+]1CC[C@@H](Nc2nc3cc(Br)ccc3s2)C1 ZINC000042548557 183283446 /nfs/dbraw/zinc/28/34/46/183283446.db2.gz MQANMOGXKQVOML-SECBINFHSA-N 1 0 312.236 3.175 10 0 DGAERO COCCN([C@H](C)C1CC1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042615224 183291185 /nfs/dbraw/zinc/29/11/85/183291185.db2.gz CQZXEUZADYURKC-PWSUYJOCSA-N 1 0 302.871 3.148 10 0 DGAERO COC(C)(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000171600615 432150277 /nfs/dbraw/zinc/15/02/77/432150277.db2.gz QBUAHJNUVGSMPC-UHFFFAOYSA-N 1 0 318.461 3.104 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)cc1)n1cc(Br)cn1 ZINC000042915948 183318301 /nfs/dbraw/zinc/31/83/01/183318301.db2.gz MDOYNWXRYWSHAN-ZIAGYGMSSA-N 1 0 308.223 3.281 10 0 DGAERO Cc1cnc(S[C@H](C[NH3+])c2ccc(Br)cc2)nc1 ZINC000042959916 183323573 /nfs/dbraw/zinc/32/35/73/183323573.db2.gz SYZBBOUVIZQCAG-GFCCVEGCSA-N 1 0 324.247 3.340 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1ccccc1C)n1cc(Br)cn1 ZINC000043037943 183332160 /nfs/dbraw/zinc/33/21/60/183332160.db2.gz ZWVQYPYCICTJOM-KBPBESRZSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1ccccc1Br ZINC000043094644 183337510 /nfs/dbraw/zinc/33/75/10/183337510.db2.gz PFRRHLSKFHQPJC-MJVIPROJSA-N 1 0 314.223 3.033 10 0 DGAERO Fc1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)ccc1Cl ZINC000043388527 183357935 /nfs/dbraw/zinc/35/79/35/183357935.db2.gz USELCSSDLLAPAC-GFCCVEGCSA-N 1 0 307.752 3.409 10 0 DGAERO COc1ccc(CN(CC2CCCCC2)[C@H]2CC[NH2+]C2)cc1 ZINC000043082635 183335290 /nfs/dbraw/zinc/33/52/90/183335290.db2.gz VOTBAFQDUCGVJD-SFHVURJKSA-N 1 0 302.462 3.439 10 0 DGAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1sccc1Br ZINC000043680160 183380029 /nfs/dbraw/zinc/38/00/29/183380029.db2.gz AVZWCLIEEWJHJE-NSHDSACASA-N 1 0 305.285 3.186 10 0 DGAERO CC(C)(C)[NH2+]CCNC(=O)c1ccccc1Cc1ccccc1 ZINC000153824182 284694211 /nfs/dbraw/zinc/69/42/11/284694211.db2.gz GSOINRUCZSTSOX-UHFFFAOYSA-N 1 0 310.441 3.395 10 0 DGAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000153886528 284699061 /nfs/dbraw/zinc/69/90/61/284699061.db2.gz FBHXWDNPYKNNDF-ZDUSSCGKSA-N 1 0 324.415 3.338 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)ccc1F ZINC000154145592 284714243 /nfs/dbraw/zinc/71/42/43/284714243.db2.gz VRBFIZYJOMMYBI-CZUORRHYSA-N 1 0 303.377 3.261 10 0 DGAERO Cn1ccnc1[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C1CCOCC1 ZINC000284429985 218023307 /nfs/dbraw/zinc/02/33/07/218023307.db2.gz FOIHDLIHGKZWOJ-SFHVURJKSA-N 1 0 324.428 3.159 10 0 DGAERO COc1ccccc1CC[N@H+](C)CCCCCn1cccn1 ZINC000104711250 194029673 /nfs/dbraw/zinc/02/96/73/194029673.db2.gz UJMAWDGGKXDFJQ-UHFFFAOYSA-N 1 0 301.434 3.237 10 0 DGAERO CC[NH+](CC)[C@@H](C(=O)N[C@H]1COc2ccccc21)c1ccccc1 ZINC000104873053 194048940 /nfs/dbraw/zinc/04/89/40/194048940.db2.gz NBLQOPHKQSJRSO-PKOBYXMFSA-N 1 0 324.424 3.319 10 0 DGAERO O=C(Nc1ccc(Cl)c(F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105003344 194063082 /nfs/dbraw/zinc/06/30/82/194063082.db2.gz JLQHJUCQYFPMCD-LBPRGKRZSA-N 1 0 311.788 3.181 10 0 DGAERO CSCc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000105034198 194066006 /nfs/dbraw/zinc/06/60/06/194066006.db2.gz RJCJRVYNBNAGDD-INIZCTEOSA-N 1 0 319.474 3.252 10 0 DGAERO Cc1cnccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284750050 218161316 /nfs/dbraw/zinc/16/13/16/218161316.db2.gz YVCDSXMABQPQAR-NVXWUHKLSA-N 1 0 309.413 3.097 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)o1 ZINC000105087089 194071656 /nfs/dbraw/zinc/07/16/56/194071656.db2.gz QKBPDYOKUURADV-HOTGVXAUSA-N 1 0 319.449 3.309 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)o1 ZINC000105087086 194071895 /nfs/dbraw/zinc/07/18/95/194071895.db2.gz QKBPDYOKUURADV-HZPDHXFCSA-N 1 0 319.449 3.309 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc3ccccc3c2)C1 ZINC000105174518 194081832 /nfs/dbraw/zinc/08/18/32/194081832.db2.gz QPOPQEYLOBAMKR-GOSISDBHSA-N 1 0 311.429 3.123 10 0 DGAERO Cc1nnc(CN[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)s1 ZINC000284908880 218229892 /nfs/dbraw/zinc/22/98/92/218229892.db2.gz HAAVUUYEWGCDLC-MRXNPFEDSA-N 1 0 318.490 3.093 10 0 DGAERO CC[C@@H](c1ccccc1)[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864855 194149918 /nfs/dbraw/zinc/14/99/18/194149918.db2.gz AIPZLCSBFICLOB-YOEHRIQHSA-N 1 0 314.433 3.208 10 0 DGAERO CC[C@@H](c1ccccc1)[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105867191 194150624 /nfs/dbraw/zinc/15/06/24/194150624.db2.gz DVZOKSSDFDUAMI-KRWDZBQOSA-N 1 0 314.433 3.037 10 0 DGAERO c1cnn(CC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000105886538 194157253 /nfs/dbraw/zinc/15/72/53/194157253.db2.gz LEZUDRDPEYWSBK-UHFFFAOYSA-N 1 0 322.412 3.450 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1F ZINC000105895750 194161936 /nfs/dbraw/zinc/16/19/36/194161936.db2.gz UTJANIXFWULTHY-SJORKVTESA-N 1 0 317.408 3.047 10 0 DGAERO COc1c(C)cnc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1C ZINC000105923370 194171108 /nfs/dbraw/zinc/17/11/08/194171108.db2.gz WXKCKPQQPGMDBO-INIZCTEOSA-N 1 0 314.433 3.049 10 0 DGAERO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171459 194189126 /nfs/dbraw/zinc/18/91/26/194189126.db2.gz WFKGBCNOXUTRGM-KBPBESRZSA-N 1 0 304.825 3.405 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000190087132 284775033 /nfs/dbraw/zinc/77/50/33/284775033.db2.gz IJEYVSIITQJHGV-QGZVFWFLSA-N 1 0 321.440 3.186 10 0 DGAERO CCN(Cc1cccs1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106429861 194213518 /nfs/dbraw/zinc/21/35/18/194213518.db2.gz GXTZVOPAKKQVPQ-QGZVFWFLSA-N 1 0 316.470 3.270 10 0 DGAERO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2ccccc2N1 ZINC000091301887 284782402 /nfs/dbraw/zinc/78/24/02/284782402.db2.gz QWJXQEHDMGBWSY-UHFFFAOYSA-N 1 0 322.408 3.442 10 0 DGAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212730118 284784941 /nfs/dbraw/zinc/78/49/41/284784941.db2.gz LJTWUIVZOWBKAH-QWRGUYRKSA-N 1 0 300.805 3.435 10 0 DGAERO Cc1[nH+]c2ccc(Br)cc2c(N2CC(CO)C2)c1C ZINC000192180975 284782956 /nfs/dbraw/zinc/78/29/56/284782956.db2.gz DXFKWBYJZCZEPF-UHFFFAOYSA-N 1 0 321.218 3.043 10 0 DGAERO COc1ccc(Br)cc1C[C@@H]([NH3+])c1ccncc1 ZINC000049599019 183746448 /nfs/dbraw/zinc/74/64/48/183746448.db2.gz MCXCNLVPDUXXAM-CYBMUJFWSA-N 1 0 307.191 3.095 10 0 DGAERO c1ccc(C[N@@H+]2CCC[C@H](Nc3ccnc(C4CC4)n3)C2)cc1 ZINC000110199808 194316396 /nfs/dbraw/zinc/31/63/96/194316396.db2.gz KCLKZRBLVCCFRC-KRWDZBQOSA-N 1 0 308.429 3.431 10 0 DGAERO Cc1nn([C@@H](C)C[NH2+]C2CCCC2)c(C)c1Br ZINC000053535313 183905516 /nfs/dbraw/zinc/90/55/16/183905516.db2.gz YASVUIJEAXCLON-VIFPVBQESA-N 1 0 300.244 3.356 10 0 DGAERO Cc1nc(CC(C)C)sc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000110695208 194350692 /nfs/dbraw/zinc/35/06/92/194350692.db2.gz YOKVIJYBMVEHOR-CYBMUJFWSA-N 1 0 323.506 3.254 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000054322191 183934108 /nfs/dbraw/zinc/93/41/08/183934108.db2.gz ONRGCYGXHAZHEI-YESZJQIVSA-N 1 0 324.509 3.016 10 0 DGAERO CC[C@]1(c2ccc(Br)cc2)C[C@H]1C[NH2+]CCOC ZINC000054599027 183945810 /nfs/dbraw/zinc/94/58/10/183945810.db2.gz HERCRDOVJNUIGH-DZGCQCFKSA-N 1 0 312.251 3.353 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000246170849 284872581 /nfs/dbraw/zinc/87/25/81/284872581.db2.gz LCDAKIAIDFPNSF-NUEKZKHPSA-N 1 0 321.440 3.367 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(F)c1 ZINC000056531225 184015252 /nfs/dbraw/zinc/01/52/52/184015252.db2.gz MGAZCRNIQSZUQK-QGZVFWFLSA-N 1 0 315.392 3.120 10 0 DGAERO Cc1ccc(CC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)s1 ZINC000057047391 184025739 /nfs/dbraw/zinc/02/57/39/184025739.db2.gz LLLXXVYEASOKAM-MRXNPFEDSA-N 1 0 320.433 3.157 10 0 DGAERO Cc1ccc(CC(=O)Nc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000057046683 184025894 /nfs/dbraw/zinc/02/58/94/184025894.db2.gz ZPYRMTGILNCFIH-UHFFFAOYSA-N 1 0 318.442 3.178 10 0 DGAERO CCCOc1cccc(C[NH2+]CCCOc2ccccn2)c1 ZINC000057353397 184035329 /nfs/dbraw/zinc/03/53/29/184035329.db2.gz RGEPVOMMHQTKQY-UHFFFAOYSA-N 1 0 300.402 3.429 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058907253 184131129 /nfs/dbraw/zinc/13/11/29/184131129.db2.gz XLJYHVBFBLFBRN-UHFFFAOYSA-N 1 0 311.429 3.177 10 0 DGAERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000061272414 184167086 /nfs/dbraw/zinc/16/70/86/184167086.db2.gz GMHLERRSUVAOEH-JTQLQIEISA-N 1 0 303.233 3.340 10 0 DGAERO CC[NH2+]CCC(=O)N[C@H](CC)c1ccc(Br)cc1 ZINC000061291384 184167676 /nfs/dbraw/zinc/16/76/76/184167676.db2.gz LHKOYAHTKICLHE-CYBMUJFWSA-N 1 0 313.239 3.016 10 0 DGAERO O=C(N1CCC[N@@H+](C2CC2)CC1)C1(c2cccc(Cl)c2)CC1 ZINC000061604659 184177007 /nfs/dbraw/zinc/17/70/07/184177007.db2.gz PLTILRPMJFXZDN-UHFFFAOYSA-N 1 0 318.848 3.068 10 0 DGAERO C[C@@H](c1ccc(F)c(Br)c1)N1CCC([NH3+])CC1 ZINC000061689566 184182991 /nfs/dbraw/zinc/18/29/91/184182991.db2.gz MRAFJAWDTYCAEB-VIFPVBQESA-N 1 0 301.203 3.072 10 0 DGAERO Fc1ccc(-c2c[nH]c(C3CC[NH2+]CC3)n2)cc1Br ZINC000061689797 184183029 /nfs/dbraw/zinc/18/30/29/184183029.db2.gz HIWNJGSTONEFHO-UHFFFAOYSA-N 1 0 324.197 3.445 10 0 DGAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(Br)ccc1Cl ZINC000061692566 184183243 /nfs/dbraw/zinc/18/32/43/184183243.db2.gz ZIKAHMSLLKBAJN-MRVPVSSYSA-N 1 0 319.630 3.287 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCc2ccccn2)c1 ZINC000061799004 184188006 /nfs/dbraw/zinc/18/80/06/184188006.db2.gz VTGVLVGEBRROPH-SFHVURJKSA-N 1 0 312.413 3.478 10 0 DGAERO CCCCOCCOc1ccc(CC[NH3+])cc1Br ZINC000062703900 184248688 /nfs/dbraw/zinc/24/86/88/184248688.db2.gz BXLYEFONWDCMJK-UHFFFAOYSA-N 1 0 316.239 3.146 10 0 DGAERO CC(C)OCCOc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062704547 184248758 /nfs/dbraw/zinc/24/87/58/184248758.db2.gz DFGTYLWTXLEOFO-NSHDSACASA-N 1 0 316.239 3.143 10 0 DGAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000063211232 184278512 /nfs/dbraw/zinc/27/85/12/184278512.db2.gz PLSVOCBTWMTGSY-NEPJUHHUSA-N 1 0 301.217 3.383 10 0 DGAERO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000066175343 184395508 /nfs/dbraw/zinc/39/55/08/184395508.db2.gz FGOXPPIPFNXHTH-AWEZNQCLSA-N 1 0 307.438 3.165 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000247467396 284964012 /nfs/dbraw/zinc/96/40/12/284964012.db2.gz RJSRHWJMDRWEHF-SOLBZPMBSA-N 1 0 321.509 3.329 10 0 DGAERO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116404513 194744911 /nfs/dbraw/zinc/74/49/11/194744911.db2.gz FCGVWLYDEUAAMV-NVXWUHKLSA-N 1 0 301.386 3.165 10 0 DGAERO CCCn1cc(C[NH2+]C[C@H](c2ccco2)N(CC)CC)cn1 ZINC000116915348 194784821 /nfs/dbraw/zinc/78/48/21/194784821.db2.gz UYJBBXLVPVRGOE-MRXNPFEDSA-N 1 0 304.438 3.059 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000248585300 285008041 /nfs/dbraw/zinc/00/80/41/285008041.db2.gz PWKXRAZFSUPTCS-BQRFXZSASA-N 1 0 307.482 3.126 10 0 DGAERO CCC[C@H]1C[N@H+](C[C@H](C)Cc2ccccc2)CCN1CCOC ZINC000248563578 285006215 /nfs/dbraw/zinc/00/62/15/285006215.db2.gz KCPJZDXPHPOMHO-QUCCMNQESA-N 1 0 318.505 3.298 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@@H](C)CC2CCCCC2)CCN1C[C@H](C)O ZINC000248648660 285014016 /nfs/dbraw/zinc/01/40/16/285014016.db2.gz UEBHQMXUWQVODA-JENIJYKNSA-N 1 0 310.526 3.370 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)cn1 ZINC000192029394 207635700 /nfs/dbraw/zinc/63/57/00/207635700.db2.gz YMMNJFQEEQAGKZ-LBPRGKRZSA-N 1 0 323.799 3.081 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000248657487 285015168 /nfs/dbraw/zinc/01/51/68/285015168.db2.gz SLYTVEDACBXZEJ-BMGDILEWSA-N 1 0 309.425 3.386 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000248657494 285015203 /nfs/dbraw/zinc/01/52/03/285015203.db2.gz SLYTVEDACBXZEJ-QGTPRVQTSA-N 1 0 309.425 3.386 10 0 DGAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000248644808 285013439 /nfs/dbraw/zinc/01/34/39/285013439.db2.gz FOGHIZPVVCHDHZ-IPMKNSEASA-N 1 0 305.462 3.165 10 0 DGAERO CN1CC[C@@H]([NH2+]Cc2cc[nH]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246380120 207667560 /nfs/dbraw/zinc/66/75/60/207667560.db2.gz HFPMYZKLFOHOEF-HZPDHXFCSA-N 1 0 307.800 3.342 10 0 DGAERO Cc1ccc(-c2cncc(C(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)c2)cc1 ZINC000261824107 207676731 /nfs/dbraw/zinc/67/67/31/207676731.db2.gz HYELGKDDUXOVAM-GOSISDBHSA-N 1 0 323.440 3.256 10 0 DGAERO CC1CC[NH+](CCCCNC(=O)N2C[C@H](C)CC[C@H]2C)CC1 ZINC000175511412 252693175 /nfs/dbraw/zinc/69/31/75/252693175.db2.gz OEJWLKOYOMBQJD-IAGOWNOFSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000248837796 285029892 /nfs/dbraw/zinc/02/98/92/285029892.db2.gz OIICOEXXQZRWCP-DRXBFXEBSA-N 1 0 304.365 3.214 10 0 DGAERO CCCCNC(=O)[C@H](C)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248803968 285027046 /nfs/dbraw/zinc/02/70/46/285027046.db2.gz QWMXVMKCZDCCIY-NWDGAFQWSA-N 1 0 308.388 3.202 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000195614936 252762403 /nfs/dbraw/zinc/76/24/03/252762403.db2.gz RCGZJYRVWQTOGR-UKRRQHHQSA-N 1 0 321.465 3.459 10 0 DGAERO OCCn1nccc1C1CC[NH+](CCCC2CCCC2)CC1 ZINC000119682402 195015865 /nfs/dbraw/zinc/01/58/65/195015865.db2.gz HCPMFPUBPPUQDL-UHFFFAOYSA-N 1 0 305.466 3.025 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2sc(C)nc2C)C12CCOCC2 ZINC000249025585 285046574 /nfs/dbraw/zinc/04/65/74/285046574.db2.gz RMKGXVCOOOQKMZ-VHDGCEQUSA-N 1 0 324.490 3.385 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000270951121 252827588 /nfs/dbraw/zinc/82/75/88/252827588.db2.gz OZPLJXFACSGHNF-SZGUKTLCSA-N 1 0 318.436 3.418 10 0 DGAERO C[C@]1(c2ccccc2)C[N@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000249102840 285055783 /nfs/dbraw/zinc/05/57/83/285055783.db2.gz PWKIDSFHULYPEM-RBUKOAKNSA-N 1 0 303.446 3.175 10 0 DGAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)C(C)(C)O1 ZINC000120015180 195080250 /nfs/dbraw/zinc/08/02/50/195080250.db2.gz VAYPAECIALMRCK-TZMCWYRMSA-N 1 0 323.868 3.249 10 0 DGAERO CCc1ccccc1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000249148827 285060373 /nfs/dbraw/zinc/06/03/73/285060373.db2.gz ZWYHWRUNTAHSTR-FPOVZHCZSA-N 1 0 322.452 3.353 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)cc1OC(F)F ZINC000249240891 285064485 /nfs/dbraw/zinc/06/44/85/285064485.db2.gz WOKGQDCXOZYNIB-IAQYHMDHSA-N 1 0 315.360 3.153 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccncc2OC)C12CCCC2 ZINC000249186560 285062147 /nfs/dbraw/zinc/06/21/47/285062147.db2.gz LAMNKUHWCYHXGH-KBRIMQKVSA-N 1 0 304.434 3.479 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000249296818 285067412 /nfs/dbraw/zinc/06/74/12/285067412.db2.gz MVHMNIOWIARYDL-BGTYHANMSA-N 1 0 300.446 3.058 10 0 DGAERO CCN(C(=O)N[C@H](C)C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249273677 285065649 /nfs/dbraw/zinc/06/56/49/285065649.db2.gz BZXFZJHHEODWEN-AEFFLSMTSA-N 1 0 317.477 3.337 10 0 DGAERO COc1cc(Br)c(C[NH2+]CCCCF)cc1OC ZINC000336788451 253000579 /nfs/dbraw/zinc/00/05/79/253000579.db2.gz HDECHANMKMRGCP-UHFFFAOYSA-N 1 0 320.202 3.306 10 0 DGAERO COc1cc(Br)c(C[NH2+][C@H]2CC[C@@H]2C)cc1OC ZINC000336787625 253000669 /nfs/dbraw/zinc/00/06/69/253000669.db2.gz FGNDMBRKNGISKU-CABZTGNLSA-N 1 0 314.223 3.354 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000336784958 253001234 /nfs/dbraw/zinc/00/12/34/253001234.db2.gz ALJRTKSRFWDQEV-MFKMUULPSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H]1CC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000336793898 253001518 /nfs/dbraw/zinc/00/15/18/253001518.db2.gz YVZNVAZZYGCBBB-JOYOIKCWSA-N 1 0 312.207 3.108 10 0 DGAERO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249745898 285086375 /nfs/dbraw/zinc/08/63/75/285086375.db2.gz ZOYBGCKRLVRHMZ-MGPQQGTHSA-N 1 0 320.399 3.298 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1)C(C)C ZINC000249749485 285086963 /nfs/dbraw/zinc/08/69/63/285086963.db2.gz PXQOKALOJLWHIA-MAUKXSAKSA-N 1 0 318.461 3.214 10 0 DGAERO CC[C@@H]1CN(C[C@H](C)c2cccc(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000249773895 285088156 /nfs/dbraw/zinc/08/81/56/285088156.db2.gz JXLXLUKIIZSLJL-RLFYNMQTSA-N 1 0 324.896 3.221 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000249976105 285092281 /nfs/dbraw/zinc/09/22/81/285092281.db2.gz YDCUIOJALPFUBO-ZFWWWQNUSA-N 1 0 310.869 3.347 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)CC[C@@H]1C ZINC000252009941 285101343 /nfs/dbraw/zinc/10/13/43/285101343.db2.gz XMLQKGFMKVGGNT-GZBFAFLISA-N 1 0 301.390 3.154 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCc1nnc2n1CCC2 ZINC000338149731 253232244 /nfs/dbraw/zinc/23/22/44/253232244.db2.gz VITLPLQFMMUNRJ-ACCUITESSA-N 1 0 316.836 3.113 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000338183597 253238858 /nfs/dbraw/zinc/23/88/58/253238858.db2.gz QABRGNKZPACGFN-XYOKQWHBSA-N 1 0 315.804 3.027 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)c1cccc(F)c1 ZINC000253548895 285110418 /nfs/dbraw/zinc/11/04/18/285110418.db2.gz LKVHTBGEKISLLP-KBRIMQKVSA-N 1 0 304.409 3.014 10 0 DGAERO CC[N@H+](CCC(=O)Nc1cccc(F)c1)CCc1nccs1 ZINC000159201995 197334368 /nfs/dbraw/zinc/33/43/68/197334368.db2.gz TWJWXCHRQPFGOG-UHFFFAOYSA-N 1 0 321.421 3.175 10 0 DGAERO c1ccc(C[N@@H+]2CCCN(c3ccnc4cccnc43)CC2)cc1 ZINC000338639849 253324327 /nfs/dbraw/zinc/32/43/27/253324327.db2.gz HPGYQXCEYMUVFJ-UHFFFAOYSA-N 1 0 318.424 3.342 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000248186206 285118627 /nfs/dbraw/zinc/11/86/27/285118627.db2.gz XJVMSTDIAQGFGO-OKDNKWQNSA-N 1 0 319.445 3.176 10 0 DGAERO C/C(=C\c1ccccc1)C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000120223473 195122149 /nfs/dbraw/zinc/12/21/49/195122149.db2.gz CQANCESDRPFNIM-FLXZHSAZSA-N 1 0 322.456 3.481 10 0 DGAERO C[N@H+](CCNC(=O)C/C=C\c1cccc(F)c1)C1CCCC1 ZINC000255034793 285121777 /nfs/dbraw/zinc/12/17/77/285121777.db2.gz WVIUFNRERGXCLK-ALCCZGGFSA-N 1 0 304.409 3.220 10 0 DGAERO CC(C)c1ccc([C@@H](C)CC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000158685128 197294277 /nfs/dbraw/zinc/29/42/77/197294277.db2.gz JYJQSSJKHLDFOA-MAUKXSAKSA-N 1 0 302.462 3.466 10 0 DGAERO C[C@@H]1C[N@H+](C/C=C\c2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000255191631 285137021 /nfs/dbraw/zinc/13/70/21/285137021.db2.gz YRPIRTBEEXNABQ-JKTRXZNMSA-N 1 0 320.864 3.006 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C/C=C\c2cccc(F)c2)[C@H](C)C1 ZINC000255232164 285139331 /nfs/dbraw/zinc/13/93/31/285139331.db2.gz PWHRHJKWSGVMRT-IKUNXGLASA-N 1 0 318.436 3.418 10 0 DGAERO C[C@@H]1CCCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000255339758 285148146 /nfs/dbraw/zinc/14/81/46/285148146.db2.gz ZGRJFPDKBQMITB-OZSLIKBDSA-N 1 0 307.482 3.127 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000158415796 197269921 /nfs/dbraw/zinc/26/99/21/197269921.db2.gz IRBYPMRZRBVELK-CQSZACIVSA-N 1 0 316.405 3.084 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000255473313 285157381 /nfs/dbraw/zinc/15/73/81/285157381.db2.gz HNORTQWERRZCGV-JTGQJZMRSA-N 1 0 300.446 3.389 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C=C\c2ccc(F)cc2)C[C@H]1CC ZINC000255554620 285163812 /nfs/dbraw/zinc/16/38/12/285163812.db2.gz LUAGCHNGRIDWBX-SFFCAUCYSA-N 1 0 320.452 3.272 10 0 DGAERO c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000342954283 254080068 /nfs/dbraw/zinc/08/00/68/254080068.db2.gz XGJHDUDSNCENHQ-LJQANCHMSA-N 1 0 311.429 3.265 10 0 DGAERO CC(=O)Nc1cccc(C[N@H+](C)CCc2ncc(C)s2)c1 ZINC000157586766 197199684 /nfs/dbraw/zinc/19/96/84/197199684.db2.gz BAFRQWZBWCLANF-UHFFFAOYSA-N 1 0 303.431 3.084 10 0 DGAERO c1cn(Cc2ccccc2C[NH2+]Cc2ccc3c[nH]nc3c2)cn1 ZINC000343160867 254108587 /nfs/dbraw/zinc/10/85/87/254108587.db2.gz ZMYFGOVJPMCXNJ-UHFFFAOYSA-N 1 0 317.396 3.098 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000120317852 195142885 /nfs/dbraw/zinc/14/28/85/195142885.db2.gz MLNACTUXVATYEO-CZUORRHYSA-N 1 0 323.868 3.212 10 0 DGAERO c1cc(COc2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)ccn1 ZINC000344282771 254250068 /nfs/dbraw/zinc/25/00/68/254250068.db2.gz YZMPCSBLKFAQEQ-SFHVURJKSA-N 1 0 312.413 3.177 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344717478 254299335 /nfs/dbraw/zinc/29/93/35/254299335.db2.gz AOGRLMPFAZFXOH-HOTGVXAUSA-N 1 0 322.493 3.105 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344717476 254299482 /nfs/dbraw/zinc/29/94/82/254299482.db2.gz AOGRLMPFAZFXOH-CVEARBPZSA-N 1 0 322.493 3.105 10 0 DGAERO Cc1noc([C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccc(C)c3)C2)n1 ZINC000344837580 254310041 /nfs/dbraw/zinc/31/00/41/254310041.db2.gz WVAQWABINGFLGL-HNNXBMFYSA-N 1 0 323.400 3.066 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H]1SC ZINC000344949816 254318143 /nfs/dbraw/zinc/31/81/43/254318143.db2.gz AIILXACFHZXHLY-AAEUAGOBSA-N 1 0 316.264 3.441 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2SC)cc1Br ZINC000344963072 254319206 /nfs/dbraw/zinc/31/92/06/254319206.db2.gz XUVGTIKDCKSLQP-YPMHNXCESA-N 1 0 316.264 3.441 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CC[C@H]2SC)cc1OC(F)F ZINC000344956684 254319320 /nfs/dbraw/zinc/31/93/20/254319320.db2.gz QVNJKYMFJBFZRM-ZWNOBZJWSA-N 1 0 303.374 3.280 10 0 DGAERO Clc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)o1 ZINC000345019512 254323533 /nfs/dbraw/zinc/32/35/33/254323533.db2.gz NCSWDYBEZUAMHV-NSHDSACASA-N 1 0 301.839 3.467 10 0 DGAERO CC1(C)CN(C(=O)CSc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261819105 285192715 /nfs/dbraw/zinc/19/27/15/285192715.db2.gz HTLRDLPNSRKFIW-CYBMUJFWSA-N 1 0 312.866 3.018 10 0 DGAERO CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262490684 285195634 /nfs/dbraw/zinc/19/56/34/285195634.db2.gz XEDYCPCLEMUEST-JKJDWNRSSA-N 1 0 310.507 3.040 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(F)c1Br)[C@@H]1CCCO1 ZINC000156698118 197133831 /nfs/dbraw/zinc/13/38/31/197133831.db2.gz ZKYXMOXBWHTPKP-SKDRFNHKSA-N 1 0 302.187 3.245 10 0 DGAERO COc1ccc([C@H](C)CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000175519661 533151042 /nfs/dbraw/zinc/15/10/42/533151042.db2.gz WICKLGQKODEZDV-CVEARBPZSA-N 1 0 318.461 3.179 10 0 DGAERO COc1ccc([C@H](C)CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000155627980 197073415 /nfs/dbraw/zinc/07/34/15/197073415.db2.gz HQMNHXMBEJZOBH-RKVPGOIHSA-N 1 0 318.461 3.034 10 0 DGAERO COc1cccc([C@H](C)CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000155287958 197040913 /nfs/dbraw/zinc/04/09/13/197040913.db2.gz JKHDTTWAGAOBFC-RKVPGOIHSA-N 1 0 318.461 3.034 10 0 DGAERO C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000155076377 197019761 /nfs/dbraw/zinc/01/97/61/197019761.db2.gz HSUAYCRXSHPQBP-NFAWXSAZSA-N 1 0 324.415 3.400 10 0 DGAERO COC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1cccc(C(F)(F)F)c1 ZINC000467367551 285239683 /nfs/dbraw/zinc/23/96/83/285239683.db2.gz CXNWOIKIZCEFNN-MISXGVKJSA-N 1 0 305.340 3.406 10 0 DGAERO OCC1(CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000453326259 285246527 /nfs/dbraw/zinc/24/65/27/285246527.db2.gz AEXSEGBVYPIKGN-CYBMUJFWSA-N 1 0 314.351 3.230 10 0 DGAERO C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000120425327 195164078 /nfs/dbraw/zinc/16/40/78/195164078.db2.gz FLTSWWIAUTZEEE-APWZRJJASA-N 1 0 310.441 3.079 10 0 DGAERO C[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000120425582 195164745 /nfs/dbraw/zinc/16/47/45/195164745.db2.gz FLTSWWIAUTZEEE-VQIMIIECSA-N 1 0 310.441 3.079 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2OC)[C@H](C)C1 ZINC000120487839 195175495 /nfs/dbraw/zinc/17/54/95/195175495.db2.gz OOQCUPCUQWOJIM-IUODEOHRSA-N 1 0 323.412 3.028 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)Cc1c(C)nn(C)c1C ZINC000120584284 195194914 /nfs/dbraw/zinc/19/49/14/195194914.db2.gz HVUAIFMKYFYGOR-OLZOCXBDSA-N 1 0 301.434 3.327 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)c1c(F)cccc1F ZINC000120502984 195179583 /nfs/dbraw/zinc/17/95/83/195179583.db2.gz ADTHUCNSBGCFNN-CHWSQXEVSA-N 1 0 312.404 3.161 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)CC2 ZINC000120556517 195189560 /nfs/dbraw/zinc/18/95/60/195189560.db2.gz HZCZDWFMXUCVPQ-HXPMCKFVSA-N 1 0 313.445 3.254 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](CCCC3CCCC3)CCO2)n1 ZINC000120592337 195197081 /nfs/dbraw/zinc/19/70/81/195197081.db2.gz JWTHDSKPYNTUOP-SFHVURJKSA-N 1 0 305.466 3.171 10 0 DGAERO CCC[N@@H+](Cc1cccc(OCCOC)c1)C[C@@H]1CCCCO1 ZINC000120733898 195226488 /nfs/dbraw/zinc/22/64/88/195226488.db2.gz HCHLDQCPFOXDKO-IBGZPJMESA-N 1 0 321.461 3.493 10 0 DGAERO C[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000120829114 195245124 /nfs/dbraw/zinc/24/51/24/195245124.db2.gz BLIKZLIOFFUADH-IYBDPMFKSA-N 1 0 315.461 3.365 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc12 ZINC000152384357 196816095 /nfs/dbraw/zinc/81/60/95/196816095.db2.gz SJWBXXBADKRFAH-KBPBESRZSA-N 1 0 312.413 3.120 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000120858045 195252691 /nfs/dbraw/zinc/25/26/91/195252691.db2.gz VDBXTVULFPJYLI-LBPRGKRZSA-N 1 0 310.388 3.262 10 0 DGAERO CO[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1Cc1cccc(C)c1 ZINC000247867180 257116406 /nfs/dbraw/zinc/11/64/06/257116406.db2.gz JJUMKQQLRQKWPC-UYAOXDASSA-N 1 0 310.441 3.470 10 0 DGAERO c1cc(C[N@H+]2CC[C@@H](OCC3CC3)[C@H]2Cc2ccncc2)co1 ZINC000247841206 257116465 /nfs/dbraw/zinc/11/64/65/257116465.db2.gz NZGXPYLKYRUEHB-RTBURBONSA-N 1 0 312.413 3.287 10 0 DGAERO c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(COCc3ccncc3)C2)nc1 ZINC000247848847 257117425 /nfs/dbraw/zinc/11/74/25/257117425.db2.gz NVLKLZOZGUHGFR-AZUAARDMSA-N 1 0 323.440 3.296 10 0 DGAERO Cc1cccnc1CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000295022186 224384595 /nfs/dbraw/zinc/38/45/95/224384595.db2.gz NGAFYKRCVDSDBG-UHFFFAOYSA-N 1 0 309.457 3.187 10 0 DGAERO O[C@H](C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1cccc(Cl)c1 ZINC000245446338 285350692 /nfs/dbraw/zinc/35/06/92/285350692.db2.gz LBPBDKMMTNJDKD-JKSUJKDBSA-N 1 0 305.809 3.324 10 0 DGAERO CC[C@@H]1CN(C/C(C)=C/c2ccccc2)CC[N@@H+]1CCOC ZINC000120947411 195269470 /nfs/dbraw/zinc/26/94/70/195269470.db2.gz MRUAHIVPMRZPPK-DQSGYLJSSA-N 1 0 302.462 3.133 10 0 DGAERO O=C(c1ccc2c(c1)CCCC2)N1CCC([NH+]2CCCC2)CC1 ZINC000072012968 184921084 /nfs/dbraw/zinc/92/10/84/184921084.db2.gz YOUCTPUIPJHFFC-UHFFFAOYSA-N 1 0 312.457 3.266 10 0 DGAERO C[C@H]1CCC[C@@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000121031038 195282728 /nfs/dbraw/zinc/28/27/28/195282728.db2.gz ANIFLDJHSXTZPG-DZGCQCFKSA-N 1 0 306.425 3.330 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCc1cccs1 ZINC000121049457 195287565 /nfs/dbraw/zinc/28/75/65/195287565.db2.gz VWJHMWDELVAQRX-KBPBESRZSA-N 1 0 302.443 3.412 10 0 DGAERO Cc1nc2cc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc2o1 ZINC000121139806 195298509 /nfs/dbraw/zinc/29/85/09/195298509.db2.gz JRRRUNBQSZDADQ-NSHDSACASA-N 1 0 318.421 3.234 10 0 DGAERO C[N@@H+](Cc1ccsc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000121747599 195338969 /nfs/dbraw/zinc/33/89/69/195338969.db2.gz JFTPMNANHBSCBX-OAHLLOKOSA-N 1 0 322.499 3.315 10 0 DGAERO Cc1cc(F)ccc1C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000121785271 195347132 /nfs/dbraw/zinc/34/71/32/195347132.db2.gz JHQMTBHJCBSQEQ-UHFFFAOYSA-N 1 0 301.409 3.322 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000121905093 195372438 /nfs/dbraw/zinc/37/24/38/195372438.db2.gz ALULMGBACSWSND-LJQANCHMSA-N 1 0 319.408 3.268 10 0 DGAERO Cc1cnccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000121930896 195376851 /nfs/dbraw/zinc/37/68/51/195376851.db2.gz UYIHJDQWQGASKR-UHFFFAOYSA-N 1 0 324.428 3.308 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(OCC2CC2)c(F)c1 ZINC000121967546 195383846 /nfs/dbraw/zinc/38/38/46/195383846.db2.gz SRMOTWBBVZSASF-XPTSAGLGSA-N 1 0 321.314 3.188 10 0 DGAERO Cc1ccc([C@@H](C[NH2+]C[C@H]2CC=CCC2)N2CCOCC2)s1 ZINC000122346439 195437600 /nfs/dbraw/zinc/43/76/00/195437600.db2.gz IEWKHMHIVGGFQF-DLBZAZTESA-N 1 0 320.502 3.376 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC2CC2)CC[N@@H+]1C ZINC000124054499 195599285 /nfs/dbraw/zinc/59/92/85/195599285.db2.gz MBACGKICLGODAR-ZBFHGGJFSA-N 1 0 316.445 3.030 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CSC[C@@H]1CCCCO1 ZINC000124530772 195651554 /nfs/dbraw/zinc/65/15/54/195651554.db2.gz ZLFBGAOEEHSNLS-HNNXBMFYSA-N 1 0 322.474 3.037 10 0 DGAERO Cc1cc(C)c2c(c1)CN(C(=O)CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC000356551078 285381778 /nfs/dbraw/zinc/38/17/78/285381778.db2.gz IIXDBYLJJADKGY-SFHVURJKSA-N 1 0 314.473 3.453 10 0 DGAERO CC[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Cl)s1 ZINC000125782745 195784607 /nfs/dbraw/zinc/78/46/07/195784607.db2.gz WHZZWNZJKNLIKA-BXUZGUMPSA-N 1 0 303.855 3.231 10 0 DGAERO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328619158 533411541 /nfs/dbraw/zinc/41/15/41/533411541.db2.gz FPERPLJTSIVBQC-JZXOWHBKSA-N 1 0 324.509 3.208 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(-c2ccccc2)cc1 ZINC000175423452 533421832 /nfs/dbraw/zinc/42/18/32/533421832.db2.gz IQENDGBNVPPALW-OXQOHEQNSA-N 1 0 310.441 3.335 10 0 DGAERO COC[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc(Cl)cc1 ZINC000248655501 285416798 /nfs/dbraw/zinc/41/67/98/285416798.db2.gz BMGXZAGFJKJRBI-OKZBNKHCSA-N 1 0 317.816 3.275 10 0 DGAERO COC(=O)[C@]12CCC[C@H]1CN(c1cc[nH+]c3cc(F)ccc31)C2 ZINC000302148647 533640978 /nfs/dbraw/zinc/64/09/78/533640978.db2.gz HFNDAPHIUUXVBY-SGTLLEGYSA-N 1 0 314.360 3.153 10 0 DGAERO C[C@@H](C(=O)Nc1ccccc1SC(F)(F)F)C1C[NH2+]C1 ZINC000163943731 132127356 /nfs/dbraw/zinc/12/73/56/132127356.db2.gz VAGPVIZQAKERDG-MRVPVSSYSA-N 1 0 304.337 3.093 10 0 DGAERO Cc1ccc(CN2CCCC[C@H]2CC[NH3+])c(Br)c1 ZINC000164119167 132129227 /nfs/dbraw/zinc/12/92/27/132129227.db2.gz CHRMIDQHAGJAIL-AWEZNQCLSA-N 1 0 311.267 3.461 10 0 DGAERO C[C@@H]([NH2+]Cc1ncc(I)s1)C(C)(C)C ZINC000308595638 292887539 /nfs/dbraw/zinc/88/75/39/292887539.db2.gz RRNGYPOJMPJITA-SSDOTTSWSA-N 1 0 324.231 3.272 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000089456277 545814448 /nfs/dbraw/zinc/81/44/48/545814448.db2.gz VDFIPYBQXJLWIO-BBRMVZONSA-N 1 0 306.837 3.206 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455214 545815156 /nfs/dbraw/zinc/81/51/56/545815156.db2.gz PVGWKNOMSWMADP-JQWIXIFHSA-N 1 0 315.244 3.327 10 0 DGAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000248443668 296574634 /nfs/dbraw/zinc/57/46/34/296574634.db2.gz LPWZJAFDKQXNKF-YQVWRLOYSA-N 1 0 313.372 3.287 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccccc1 ZINC000616114103 400085968 /nfs/dbraw/zinc/08/59/68/400085968.db2.gz PJBUPLNJWOYQFG-CWRNSKLLSA-N 1 0 305.418 3.084 10 0 DGAERO CC[NH+](CC)CCSCc1ccncc1Br ZINC000600525556 400088181 /nfs/dbraw/zinc/08/81/81/400088181.db2.gz WXNVCTYBSTUOCE-UHFFFAOYSA-N 1 0 303.269 3.419 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCCC2CC2)C1 ZINC000608690333 400103549 /nfs/dbraw/zinc/10/35/49/400103549.db2.gz XJPPOSAVDOCKIX-SFHVURJKSA-N 1 0 315.461 3.093 10 0 DGAERO COc1ccc([C@@](O)(c2ccccc2C)[C@H](C)C[NH+](C)C)cc1 ZINC000003642386 400083876 /nfs/dbraw/zinc/08/38/76/400083876.db2.gz XRTXNXNZOIVSSI-OXQOHEQNSA-N 1 0 313.441 3.437 10 0 DGAERO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCn2ccccc2=O)o1 ZINC000608510970 400083924 /nfs/dbraw/zinc/08/39/24/400083924.db2.gz UROZYDYMITYEJN-DOTOQJQBSA-N 1 0 314.429 3.477 10 0 DGAERO COc1ccc([C@](O)(c2ccccc2C)[C@@H](C)C[NH+](C)C)cc1 ZINC000003642381 400084212 /nfs/dbraw/zinc/08/42/12/400084212.db2.gz XRTXNXNZOIVSSI-JXFKEZNVSA-N 1 0 313.441 3.437 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccc2ccccc2n1 ZINC000616585478 400177998 /nfs/dbraw/zinc/17/79/98/400177998.db2.gz RDWQWUROMGWSRJ-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cccc2ncccc21 ZINC000616583845 400178150 /nfs/dbraw/zinc/17/81/50/400178150.db2.gz GEKNWLSORLRCDL-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccnc2ccccc21 ZINC000616586587 400178174 /nfs/dbraw/zinc/17/81/74/400178174.db2.gz YGSLQLVJEFDGPA-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO c1ccc(C[N@@H+]2CCOC[C@H](c3cccc4nnccc43)C2)cc1 ZINC000616593049 400180508 /nfs/dbraw/zinc/18/05/08/400180508.db2.gz HOOFMCBGBRGHJL-QGZVFWFLSA-N 1 0 319.408 3.246 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CC[N@H+](C)CCO2)cc1 ZINC000616595665 400180522 /nfs/dbraw/zinc/18/05/22/400180522.db2.gz XILAQEIRLAOOJU-MRXNPFEDSA-N 1 0 320.433 3.451 10 0 DGAERO C[N@@H+]1CCOCC[C@H]1c1ccccc1NC(=O)OC(C)(C)C ZINC000616597436 400181634 /nfs/dbraw/zinc/18/16/34/400181634.db2.gz FLBPOLMEVHVXHX-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO CCOC(=O)c1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000616632432 400189220 /nfs/dbraw/zinc/18/92/20/400189220.db2.gz OMHRSTMCCHYVAD-IBGZPJMESA-N 1 0 324.424 3.010 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2nccc3ccccc32)cc1 ZINC000616635588 400189271 /nfs/dbraw/zinc/18/92/71/400189271.db2.gz IJIAJHQCVLUMGA-IBGZPJMESA-N 1 0 303.409 3.381 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000008248316 400121922 /nfs/dbraw/zinc/12/19/22/400121922.db2.gz WXHWBAYZHFFUBT-JTQLQIEISA-N 1 0 308.303 3.393 10 0 DGAERO C[C@@H]1C[NH2+][C@H](c2cccc(I)c2)S1 ZINC000306677358 400125452 /nfs/dbraw/zinc/12/54/52/400125452.db2.gz YPOUETBLQWNTJL-XCBNKYQSSA-N 1 0 305.184 3.015 10 0 DGAERO CC(C)(C)OCC[NH2+]Cc1cccc(Br)c1F ZINC000308701022 400130997 /nfs/dbraw/zinc/13/09/97/400130997.db2.gz YIVCZWQXWVUXHR-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO O[C@H](C[NH2+]CCCCF)COc1ccc(Cl)cc1Cl ZINC000311472309 400135071 /nfs/dbraw/zinc/13/50/71/400135071.db2.gz OWYIIRFQVBKIGH-LLVKDONJSA-N 1 0 310.196 3.072 10 0 DGAERO Cc1ccc(Br)cc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000313906589 400137081 /nfs/dbraw/zinc/13/70/81/400137081.db2.gz QLDKDYFGIJRFKR-CYBMUJFWSA-N 1 0 300.240 3.254 10 0 DGAERO CCOC(C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1)OCC ZINC000316503420 400150984 /nfs/dbraw/zinc/15/09/84/400150984.db2.gz MLIHCUWNUNOJRV-CQSZACIVSA-N 1 0 311.422 3.144 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)Cc1ccccc1)c1ccco1 ZINC000067276834 400157943 /nfs/dbraw/zinc/15/79/43/400157943.db2.gz UIFBEZDEPPLMFW-MRXNPFEDSA-N 1 0 300.402 3.021 10 0 DGAERO c1ncn(-c2ccccc2C[NH2+]Cc2ccc3ccccc3n2)n1 ZINC000588688725 400224090 /nfs/dbraw/zinc/22/40/90/400224090.db2.gz FYWPAAIVFYNHJO-UHFFFAOYSA-N 1 0 315.380 3.105 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000379642335 400257395 /nfs/dbraw/zinc/25/73/95/400257395.db2.gz VWPPTDLRRZSOAQ-IQZDNPOKSA-N 1 0 312.457 3.202 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCOCC[N@@H+]2C)cc1 ZINC000616656282 400193851 /nfs/dbraw/zinc/19/38/51/400193851.db2.gz DUKBLDWMVKVIGU-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1cccc2ccnnc21 ZINC000616671148 400197803 /nfs/dbraw/zinc/19/78/03/400197803.db2.gz QHYKWBWUESBAPA-SFHVURJKSA-N 1 0 304.397 3.082 10 0 DGAERO [NH3+]CCN1C[C@H](c2cccc3cccnc32)Cc2ccccc21 ZINC000616670946 400198064 /nfs/dbraw/zinc/19/80/64/400198064.db2.gz BYHYEJBJKSJWQI-QGZVFWFLSA-N 1 0 303.409 3.340 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccc3cccnc3c2)Cc2ccccc21 ZINC000616673515 400199059 /nfs/dbraw/zinc/19/90/59/400199059.db2.gz YWIWLYZYYQXBEM-SFHVURJKSA-N 1 0 303.409 3.340 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1cnc2ccccc2c1 ZINC000616679428 400200533 /nfs/dbraw/zinc/20/05/33/400200533.db2.gz SNHMQPFOHPYZNL-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccnc2ccccc21 ZINC000616684301 400202674 /nfs/dbraw/zinc/20/26/74/400202674.db2.gz YGSLQLVJEFDGPA-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@@H](c2nccc3ccccc32)Nc2ccccc21 ZINC000616692024 400206590 /nfs/dbraw/zinc/20/65/90/400206590.db2.gz ITMRNWQVPOPYFU-KRWDZBQOSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccc3cccnc3c2)Nc2ccccc21 ZINC000616692015 400206596 /nfs/dbraw/zinc/20/65/96/400206596.db2.gz ILGCULXUFOUMMM-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000388894255 400267688 /nfs/dbraw/zinc/26/76/88/400267688.db2.gz PVYTXXQAYVCKHT-QWRGUYRKSA-N 1 0 304.253 3.151 10 0 DGAERO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2ccccc2)cc1 ZINC000068534809 400271213 /nfs/dbraw/zinc/27/12/13/400271213.db2.gz RXMRQJBUNSAQMV-UHFFFAOYSA-N 1 0 310.441 3.387 10 0 DGAERO CC(C)[NH2+][C@@H]1CCCN(Cc2csc(Br)c2)C1 ZINC000397392776 400285438 /nfs/dbraw/zinc/28/54/38/400285438.db2.gz KGFPHTHNXLCROA-GFCCVEGCSA-N 1 0 317.296 3.473 10 0 DGAERO C[C@H]1C[C@H](CC(=O)Nc2cnn(CC[NH+](C)C)c2)CC(C)(C)C1 ZINC000589347718 400291242 /nfs/dbraw/zinc/29/12/42/400291242.db2.gz KAVQYDXOJUEYRZ-LSDHHAIUSA-N 1 0 320.481 3.236 10 0 DGAERO [NH3+][C@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)C12CCC2 ZINC000404530741 400295851 /nfs/dbraw/zinc/29/58/51/400295851.db2.gz WSYVCIHFZVGAID-NWDGAFQWSA-N 1 0 314.216 3.385 10 0 DGAERO CC(C)(C)OC(=O)N([C@H](C(=[NH2+])NO)c1ccc(F)cc1)C1CC1 ZINC000409441624 400301354 /nfs/dbraw/zinc/30/13/54/400301354.db2.gz QBSWDZGRDQVGOL-ZDUSSCGKSA-N 1 0 323.368 3.222 10 0 DGAERO CC(C)NC(=O)CC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000069072290 400309132 /nfs/dbraw/zinc/30/91/32/400309132.db2.gz IWYYOIWFFIWWAT-UHFFFAOYSA-N 1 0 302.462 3.388 10 0 DGAERO C/C=C\C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000384758331 400260581 /nfs/dbraw/zinc/26/05/81/400260581.db2.gz ADUATCYLPFUYJI-IHWYPQMZSA-N 1 0 312.207 3.276 10 0 DGAERO C[C@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000072482405 400382373 /nfs/dbraw/zinc/38/23/73/400382373.db2.gz PTGWBFBZGAMVNT-INIZCTEOSA-N 1 0 315.461 3.366 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(CCN(c3cc[nH+]cc3)C2)CC1 ZINC000113931742 400383238 /nfs/dbraw/zinc/38/32/38/400383238.db2.gz DBYDXVDJJFUXCC-UHFFFAOYSA-N 1 0 317.433 3.309 10 0 DGAERO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)Nc1ccc(Cl)cn1 ZINC000113977869 400384148 /nfs/dbraw/zinc/38/41/48/400384148.db2.gz MYLRGXYBZWNYRY-GFCCVEGCSA-N 1 0 316.792 3.456 10 0 DGAERO COC(=O)c1ccc(COc2ccc3[nH]cc(CC[NH3+])c3c2)cc1 ZINC000034537348 400385691 /nfs/dbraw/zinc/38/56/91/400385691.db2.gz DKYYBTLLAHWTDB-UHFFFAOYSA-N 1 0 324.380 3.035 10 0 DGAERO COC(=O)c1cc(Cl)ccc1NC[C@H]1CC2(CC2)CC[NH2+]1 ZINC000114872446 400390768 /nfs/dbraw/zinc/39/07/68/400390768.db2.gz BJQUJZRLFBKZSW-GFCCVEGCSA-N 1 0 308.809 3.071 10 0 DGAERO CCC(=O)N(c1ccc2cc(O)ccc2c1)C1CC[NH+](C)CC1 ZINC000114853118 400390792 /nfs/dbraw/zinc/39/07/92/400390792.db2.gz RHNSHDWVVNTJJE-UHFFFAOYSA-N 1 0 312.413 3.383 10 0 DGAERO C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c2ccccc21 ZINC000106907456 400332633 /nfs/dbraw/zinc/33/26/33/400332633.db2.gz VHVLEFRGURIIGB-HNAYVOBHSA-N 1 0 308.425 3.310 10 0 DGAERO CCC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000590042905 400349982 /nfs/dbraw/zinc/34/99/82/400349982.db2.gz CUUXYQVPZSIGCW-QZTJIDSGSA-N 1 0 302.462 3.388 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)c2ccccc2CC[NH3+])c(C)s1 ZINC000070551940 400352833 /nfs/dbraw/zinc/35/28/33/400352833.db2.gz XOAKVBOVRLEVFO-GFCCVEGCSA-N 1 0 302.443 3.357 10 0 DGAERO Cc1ccc(C(C)C)cc1OCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000110696461 400358669 /nfs/dbraw/zinc/35/86/69/400358669.db2.gz JANXNHXJGYCOTB-HNNXBMFYSA-N 1 0 318.461 3.096 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)c2ccncc2)C[C@H]1C ZINC000611218105 400360958 /nfs/dbraw/zinc/36/09/58/400360958.db2.gz NMYGAQGFPIFXOC-TXCZRRACSA-N 1 0 304.434 3.143 10 0 DGAERO CCC(CC)(CNC(=O)[C@H](C)COC)[NH2+][C@H](C)c1ccccc1 ZINC000111634875 400366297 /nfs/dbraw/zinc/36/62/97/400366297.db2.gz KAORJPJIBVSMKV-HZPDHXFCSA-N 1 0 320.477 3.295 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]CCc1cccnc1)c1ccccc1 ZINC000611405736 400394188 /nfs/dbraw/zinc/39/41/88/400394188.db2.gz PMOYHZSZZQCLIZ-KRWDZBQOSA-N 1 0 312.413 3.154 10 0 DGAERO CC[C@H](C)[C@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000116757203 400413335 /nfs/dbraw/zinc/41/33/35/400413335.db2.gz ADDAKLWQAVUPOM-YJBOKZPZSA-N 1 0 302.462 3.369 10 0 DGAERO O=C(Nc1ccc([C@H]2CCC[NH2+]C2)cc1)c1ccc(Cl)nc1 ZINC000117719903 400420736 /nfs/dbraw/zinc/42/07/36/400420736.db2.gz GHEDPALXZWOZDC-ZDUSSCGKSA-N 1 0 315.804 3.454 10 0 DGAERO O=C(Nc1cccc(O[C@@H]2CC[NH2+]C2)c1)c1ccc(Cl)cc1 ZINC000117733136 400421133 /nfs/dbraw/zinc/42/11/33/400421133.db2.gz ATWDWUUVXJUDHX-MRXNPFEDSA-N 1 0 316.788 3.333 10 0 DGAERO COc1ccc(C(=O)Nc2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000117723376 400421163 /nfs/dbraw/zinc/42/11/63/400421163.db2.gz KBENMJATUUCARX-MRXNPFEDSA-N 1 0 310.397 3.415 10 0 DGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2csc3ccccc23)C1 ZINC000590812485 400440330 /nfs/dbraw/zinc/44/03/30/400440330.db2.gz UMWAUPLDIGELKI-OAHLLOKOSA-N 1 0 316.470 3.433 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000590862164 400450884 /nfs/dbraw/zinc/45/08/84/400450884.db2.gz UGZGOVANADDBBK-SJORKVTESA-N 1 0 321.509 3.330 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)CCCSC)c1ccccc1 ZINC000128311813 400513872 /nfs/dbraw/zinc/51/38/72/400513872.db2.gz LTAKQXLNFWKSKX-MRXNPFEDSA-N 1 0 308.491 3.329 10 0 DGAERO C[C@]1(CNC(=O)Nc2cccnc2)CCC[N@@H+]1Cc1ccccc1 ZINC000122420651 400461473 /nfs/dbraw/zinc/46/14/73/400461473.db2.gz XGQXSVCBLVANHL-LJQANCHMSA-N 1 0 324.428 3.258 10 0 DGAERO CC(C)c1cccc(OCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124402679 400475477 /nfs/dbraw/zinc/47/54/77/400475477.db2.gz ULOSTVRLLJEZFH-NVXWUHKLSA-N 1 0 318.461 3.130 10 0 DGAERO Cc1cccc2c1CCN2C(=O)c1ccccc1OCC[NH+](C)C ZINC000126846411 400496228 /nfs/dbraw/zinc/49/62/28/400496228.db2.gz FVLSVDIOPIZQEY-UHFFFAOYSA-N 1 0 324.424 3.138 10 0 DGAERO CSCCCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000128990538 400520381 /nfs/dbraw/zinc/52/03/81/400520381.db2.gz LFQADUWOHLKYHX-MRXNPFEDSA-N 1 0 306.475 3.083 10 0 DGAERO [NH3+][C@@H](c1ccsc1)c1csc(I)c1 ZINC000129288933 400524481 /nfs/dbraw/zinc/52/44/81/400524481.db2.gz WBHSNZQIPZCFMP-VIFPVBQESA-N 1 0 321.208 3.462 10 0 DGAERO CCc1sc(NC(=O)[C@H]2CC[N@H+](C)C2)nc1-c1ccccc1 ZINC000591439280 400524950 /nfs/dbraw/zinc/52/49/50/400524950.db2.gz KMXNXDOCRFOIQZ-ZDUSSCGKSA-N 1 0 315.442 3.263 10 0 DGAERO C[C@@H]1C[C@H](c2ncc(Br)cc2Br)C[NH2+]1 ZINC000130125146 400534429 /nfs/dbraw/zinc/53/44/29/400534429.db2.gz CLMJVHAXIXFOSM-RQJHMYQMSA-N 1 0 320.028 3.072 10 0 DGAERO C[C@H]1C[C@@H](c2ncc(Br)cc2Br)C[NH2+]1 ZINC000130125819 400534854 /nfs/dbraw/zinc/53/48/54/400534854.db2.gz CLMJVHAXIXFOSM-NKWVEPMBSA-N 1 0 320.028 3.072 10 0 DGAERO CCC[C@H](C[NH2+]CCO)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000145668117 400646430 /nfs/dbraw/zinc/64/64/30/400646430.db2.gz FMDMIKBESSTJSC-LLVKDONJSA-N 1 0 304.217 3.174 10 0 DGAERO CCC[C@H]([NH2+]Cc1ccc(OCCO)cc1)c1ccccn1 ZINC000358028107 285950143 /nfs/dbraw/zinc/95/01/43/285950143.db2.gz SNWPIHQYDGXYOL-KRWDZBQOSA-N 1 0 300.402 3.084 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCC[NH+]2CCCC2)cc1 ZINC000076944116 400680651 /nfs/dbraw/zinc/68/06/51/400680651.db2.gz DKEXUVOBGSLMMF-MSOLQXFVSA-N 1 0 300.446 3.126 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000052106002 400718758 /nfs/dbraw/zinc/71/87/58/400718758.db2.gz TUPWRFJLXCGTNR-QZTJIDSGSA-N 1 0 305.462 3.260 10 0 DGAERO Brc1cc(C[NH2+]C2CCC2)oc1Br ZINC000052208693 400722621 /nfs/dbraw/zinc/72/26/21/400722621.db2.gz BOWGOIMMACQQNH-UHFFFAOYSA-N 1 0 309.001 3.447 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)N[C@H](CC)c2nccs2)CC1 ZINC000158337805 400724142 /nfs/dbraw/zinc/72/41/42/400724142.db2.gz LTCIGXJXTVRPTK-CQSZACIVSA-N 1 0 324.494 3.158 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000158588853 400725725 /nfs/dbraw/zinc/72/57/25/400725725.db2.gz MGEFNBLFYYBAFS-CQSZACIVSA-N 1 0 307.438 3.213 10 0 DGAERO Cc1ccc(C[C@H](C)N(C)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000159099843 400727877 /nfs/dbraw/zinc/72/78/77/400727877.db2.gz FWWMTSVYZXOGMG-HOTGVXAUSA-N 1 0 317.477 3.050 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)CCc1ccccc1F)c1ccccc1 ZINC000052556494 400737639 /nfs/dbraw/zinc/73/76/39/400737639.db2.gz KGCYEUMQCUEIIL-SFHVURJKSA-N 1 0 314.404 3.177 10 0 DGAERO CS[C@H](C)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000162709030 400744761 /nfs/dbraw/zinc/74/47/61/400744761.db2.gz BBFJLQFAXGMSBC-NXEZZACHSA-N 1 0 324.273 3.074 10 0 DGAERO CC1CC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000163699801 400749156 /nfs/dbraw/zinc/74/91/56/400749156.db2.gz FKCHXJNTGHDKJL-VQXHTEKXSA-N 1 0 304.217 3.121 10 0 DGAERO O=C(c1c[nH]c2cc(Cl)ccc12)N1CC[NH+](C2CCC2)CC1 ZINC000603476249 400691512 /nfs/dbraw/zinc/69/15/12/400691512.db2.gz YJJNYNKPEPYIHE-UHFFFAOYSA-N 1 0 317.820 3.132 10 0 DGAERO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000077176870 400692171 /nfs/dbraw/zinc/69/21/71/400692171.db2.gz GQNFRPILCGBAHT-BBRMVZONSA-N 1 0 313.869 3.379 10 0 DGAERO C[C@@H]1C[C@@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604176042 400752379 /nfs/dbraw/zinc/75/23/79/400752379.db2.gz TUEIVWJQHLVPRA-KBAYOESNSA-N 1 0 315.461 3.169 10 0 DGAERO Cc1ccc(NC(=O)N[C@H](C)C(C)C)c(OCC[NH+](C)C)c1 ZINC000154671577 400696333 /nfs/dbraw/zinc/69/63/33/400696333.db2.gz MZRICPNQYCOARI-CQSZACIVSA-N 1 0 307.438 3.101 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000155143373 400700710 /nfs/dbraw/zinc/70/07/10/400700710.db2.gz SYRVFPPZVYXWGN-FZKQIMNGSA-N 1 0 310.397 3.220 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2c1OCO2 ZINC000077279926 400703830 /nfs/dbraw/zinc/70/38/30/400703830.db2.gz WWZXXSWPYUXNEG-UHFFFAOYSA-N 1 0 324.380 3.263 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308047 400817777 /nfs/dbraw/zinc/81/77/77/400817777.db2.gz HVQIBGDHEAWLQL-NSHDSACASA-N 1 0 315.244 3.342 10 0 DGAERO CSCCc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000170830430 400776544 /nfs/dbraw/zinc/77/65/44/400776544.db2.gz NEULUXJNWYJLKU-UHFFFAOYSA-N 1 0 321.490 3.150 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000170832205 400776898 /nfs/dbraw/zinc/77/68/98/400776898.db2.gz MCLVDDPNLGCEFJ-ROUUACIJSA-N 1 0 315.461 3.263 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170862323 400778140 /nfs/dbraw/zinc/77/81/40/400778140.db2.gz MELGZRPALXLNAO-CRAIPNDOSA-N 1 0 317.477 3.292 10 0 DGAERO C[C@@H](CNC(=O)C[C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000170978387 400779723 /nfs/dbraw/zinc/77/97/23/400779723.db2.gz NPDMIUKJJCLHBM-FUHWJXTLSA-N 1 0 314.473 3.345 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000171171506 400788573 /nfs/dbraw/zinc/78/85/73/400788573.db2.gz PJEXVXOWWDELPE-GJZGRUSLSA-N 1 0 319.449 3.247 10 0 DGAERO CN(CCCc1ccccc1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171610205 400802593 /nfs/dbraw/zinc/80/25/93/400802593.db2.gz GZWJUXGHRXUELU-FQEVSTJZSA-N 1 0 324.468 3.251 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(c2ccccc2F)CC1 ZINC000605557421 400875095 /nfs/dbraw/zinc/87/50/95/400875095.db2.gz JMDMDPBNHZGRRX-GOSISDBHSA-N 1 0 318.436 3.406 10 0 DGAERO CC(C)[C@H](CNC(=O)NCCCC1CC1)[NH+]1CCCCCC1 ZINC000605951449 400888335 /nfs/dbraw/zinc/88/83/35/400888335.db2.gz PDHCGEZUIVAVQH-KRWDZBQOSA-N 1 0 309.498 3.376 10 0 DGAERO CC[C@@H]1CCCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172477831 400829708 /nfs/dbraw/zinc/82/97/08/400829708.db2.gz MJZAKNNIVYJFGX-QGZVFWFLSA-N 1 0 307.482 3.225 10 0 DGAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1cccc(Br)c1 ZINC000054686293 400834799 /nfs/dbraw/zinc/83/47/99/400834799.db2.gz QTSUNQZDVPZLSE-HUUCEWRRSA-N 1 0 306.203 3.053 10 0 DGAERO c1coc(-c2nnc(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)o2)c1 ZINC000173837656 400849414 /nfs/dbraw/zinc/84/94/14/400849414.db2.gz UYZKGSZMCKVAMA-CQSZACIVSA-N 1 0 317.389 3.253 10 0 DGAERO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C(C)C)cc1 ZINC000055071613 400851288 /nfs/dbraw/zinc/85/12/88/400851288.db2.gz BXJGKBSBSJBJNO-HNNXBMFYSA-N 1 0 305.466 3.372 10 0 DGAERO C[NH+](C)[C@H]1Cc2cccc3c2[C@H](CN3C(=O)c2ccccc2)C1 ZINC000216317085 400947649 /nfs/dbraw/zinc/94/76/49/400947649.db2.gz CEWGNNJWNATFNT-IRXDYDNUSA-N 1 0 306.409 3.307 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000606240040 400897180 /nfs/dbraw/zinc/89/71/80/400897180.db2.gz GXWFWFZDIXQIJS-IAGOWNOFSA-N 1 0 302.462 3.479 10 0 DGAERO CC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)[C@H]1CCOC1 ZINC000358177319 285989895 /nfs/dbraw/zinc/98/98/95/285989895.db2.gz PCSHXRZXIHXAPW-BPUTZDHNSA-N 1 0 307.434 3.040 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000606489119 400921318 /nfs/dbraw/zinc/92/13/18/400921318.db2.gz ZRIUIZJOMQEJQJ-DLBZAZTESA-N 1 0 317.477 3.130 10 0 DGAERO Cc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000056528517 400933240 /nfs/dbraw/zinc/93/32/40/400933240.db2.gz XFXWAQXGZYRPLU-KRWDZBQOSA-N 1 0 311.429 3.289 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccccc2Cl)[C@@H](C)C1 ZINC000247289453 401050033 /nfs/dbraw/zinc/05/00/33/401050033.db2.gz GINRTQRZDFEZPG-WMLDXEAASA-N 1 0 322.880 3.461 10 0 DGAERO c1cnn(Cc2cccc(-c3cccc([C@H]4COCC[NH2+]4)c3)c2)c1 ZINC000629706771 401050262 /nfs/dbraw/zinc/05/02/62/401050262.db2.gz CNDYMASPCOBFJZ-HXUWFJFHSA-N 1 0 319.408 3.259 10 0 DGAERO CO[C@@H](C)CN(Cc1ccncc1Br)C(C)C ZINC000625184372 401051857 /nfs/dbraw/zinc/05/18/57/401051857.db2.gz QUICXXXCPXOGHZ-NSHDSACASA-N 1 0 301.228 3.089 10 0 DGAERO O[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000248560730 401072135 /nfs/dbraw/zinc/07/21/35/401072135.db2.gz JIVRYICZRCMIOB-HUUCEWRRSA-N 1 0 301.352 3.254 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621107338 401076820 /nfs/dbraw/zinc/07/68/20/401076820.db2.gz CCBLHBJZAZMYPI-QAPCUYQASA-N 1 0 322.493 3.010 10 0 DGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000607652568 401100655 /nfs/dbraw/zinc/10/06/55/401100655.db2.gz XIXCEAAHAJGJMY-IIAWOOMASA-N 1 0 322.399 3.059 10 0 DGAERO C[N@H+](C/C=C\c1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000255338413 401103776 /nfs/dbraw/zinc/10/37/76/401103776.db2.gz LVSJYPQQHSHOMR-OEPRFQHASA-N 1 0 308.429 3.091 10 0 DGAERO C[C@H]1C[C@H](NC(=O)c2c[nH]c3cc(Cl)ccc23)CC[N@@H+]1C ZINC000607689688 401104752 /nfs/dbraw/zinc/10/47/52/401104752.db2.gz ITRVLVORJZGVPC-CMPLNLGQSA-N 1 0 305.809 3.034 10 0 DGAERO COCCCN(C(=O)[C@@H]1CCCCC1(C)C)C1CC[NH+](C)CC1 ZINC000358221188 286001417 /nfs/dbraw/zinc/00/14/17/286001417.db2.gz IBPJMRPGJVIOMG-KRWDZBQOSA-N 1 0 324.509 3.162 10 0 DGAERO CSc1cc(C)ccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262472751 401117909 /nfs/dbraw/zinc/11/79/09/401117909.db2.gz OIWSRENKIARTTO-BMFZPTHFSA-N 1 0 318.486 3.254 10 0 DGAERO CCS[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262481347 401118171 /nfs/dbraw/zinc/11/81/71/401118171.db2.gz RWCCOUKSIFCSPO-RBZJEDDUSA-N 1 0 310.507 3.088 10 0 DGAERO FC1(F)CC12CC[NH+](Cc1ccncc1Br)CC2 ZINC000625512514 401146463 /nfs/dbraw/zinc/14/64/63/401146463.db2.gz IRDLOLUAFXUSID-UHFFFAOYSA-N 1 0 317.177 3.465 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000607924320 401150533 /nfs/dbraw/zinc/15/05/33/401150533.db2.gz MGXCOCZGPRQSKT-SJORKVTESA-N 1 0 306.494 3.463 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000607922975 401150999 /nfs/dbraw/zinc/15/09/99/401150999.db2.gz AXXWXCYGPBPSJM-UHFFFAOYSA-N 1 0 302.462 3.084 10 0 DGAERO CC1=CCN(CC[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000358241527 286008350 /nfs/dbraw/zinc/00/83/50/286008350.db2.gz RTTSAOWEXRMYLG-QGZVFWFLSA-N 1 0 310.445 3.175 10 0 DGAERO Cc1nccnc1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000621327197 401166185 /nfs/dbraw/zinc/16/61/85/401166185.db2.gz FXFMKNYQICJTDL-SNVBAGLBSA-N 1 0 306.207 3.398 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(C)CC2)[C@H]1c1cccs1 ZINC000358263546 286014656 /nfs/dbraw/zinc/01/46/56/286014656.db2.gz HIMVTJDADMAHNT-ZFWWWQNUSA-N 1 0 321.490 3.230 10 0 DGAERO COc1cc(F)c([C@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)cc1OC ZINC000358284097 286020268 /nfs/dbraw/zinc/02/02/68/286020268.db2.gz DVKOEUGUIGGWHY-PWSUYJOCSA-N 1 0 321.396 3.156 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000358295510 286023271 /nfs/dbraw/zinc/02/32/71/286023271.db2.gz JTULDJLXDQFMDZ-AAEUAGOBSA-N 1 0 317.401 3.319 10 0 DGAERO COc1nsc(C[NH2+][C@@]2(C)CC2(C)C)c1Br ZINC000630075329 401178402 /nfs/dbraw/zinc/17/84/02/401178402.db2.gz XQPPLKPITOWCNZ-NSHDSACASA-N 1 0 305.241 3.192 10 0 DGAERO c1ccc(N2CC[C@H](C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000630073115 401176642 /nfs/dbraw/zinc/17/66/42/401176642.db2.gz RCLWEWLVENQYOB-NXHRZFHOSA-N 1 0 302.487 3.483 10 0 DGAERO c1cc(C[NH2+]CCC[C@@H]2CCOC2)n(CCc2ccccc2)n1 ZINC000621360011 401184014 /nfs/dbraw/zinc/18/40/14/401184014.db2.gz BTAHYKGOZILFNM-GOSISDBHSA-N 1 0 313.445 3.032 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)O2 ZINC000608498713 401263536 /nfs/dbraw/zinc/26/35/36/401263536.db2.gz HORQZGZUIRSDEM-IRXDYDNUSA-N 1 0 317.429 3.250 10 0 DGAERO C[C@@H](CO)C[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000608498415 401263795 /nfs/dbraw/zinc/26/37/95/401263795.db2.gz PCQOHDDIBDRNFG-SECBINFHSA-N 1 0 306.631 3.163 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000625827906 401228879 /nfs/dbraw/zinc/22/88/79/401228879.db2.gz WNDWOFXJEKVJOM-PSASIEDQSA-N 1 0 302.205 3.255 10 0 DGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000608359049 401232814 /nfs/dbraw/zinc/23/28/14/401232814.db2.gz GRZIEQFMXSLSLM-FMKPAKJESA-N 1 0 322.399 3.057 10 0 DGAERO C[NH+](C)CCOc1ccccc1C(=O)Nc1cc(F)cc(F)c1 ZINC000064370454 401235226 /nfs/dbraw/zinc/23/52/26/401235226.db2.gz NEQDBUGVVGCYRI-UHFFFAOYSA-N 1 0 320.339 3.158 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCCCC[C@H]2C)cc1 ZINC000358377465 286045154 /nfs/dbraw/zinc/04/51/54/286045154.db2.gz AYCPODBEEOLETP-CQSZACIVSA-N 1 0 302.418 3.482 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCCO2)c2ccccc21 ZINC000621759544 401296044 /nfs/dbraw/zinc/29/60/44/401296044.db2.gz ZNLYJARBBCSXOO-OWQGQXMQSA-N 1 0 302.418 3.032 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)c2ccccn2)c2ccccc21 ZINC000621764657 401297520 /nfs/dbraw/zinc/29/75/20/401297520.db2.gz KKVRHAGBDROHGH-KDOFPFPSSA-N 1 0 309.413 3.273 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)c2ccccc2C1 ZINC000621768821 401298146 /nfs/dbraw/zinc/29/81/46/401298146.db2.gz VMYMYVZSPDJPIO-ZBFHGGJFSA-N 1 0 308.372 3.115 10 0 DGAERO c1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)n(CC2CCC2)n1 ZINC000631034537 401374594 /nfs/dbraw/zinc/37/45/94/401374594.db2.gz WZXPZAOOQJXTQF-IBGZPJMESA-N 1 0 324.472 3.047 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1cccc(Cl)c1 ZINC000634952892 401387453 /nfs/dbraw/zinc/38/74/53/401387453.db2.gz LQLSHVVRHSYFDI-CABCVRRESA-N 1 0 315.866 3.348 10 0 DGAERO CSc1ccc([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634979866 401394380 /nfs/dbraw/zinc/39/43/80/401394380.db2.gz QJGGLXAYIBNJHH-GXTWGEPZSA-N 1 0 313.488 3.026 10 0 DGAERO c1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)no1 ZINC000634986991 401395812 /nfs/dbraw/zinc/39/58/12/401395812.db2.gz JPTXXPCOIJDLGS-QGZVFWFLSA-N 1 0 311.429 3.067 10 0 DGAERO c1ccc([C@@H]2CO[C@H](C[NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634986265 401396032 /nfs/dbraw/zinc/39/60/32/401396032.db2.gz QRSDPCNNNISTDA-ROUUACIJSA-N 1 0 319.408 3.292 10 0 DGAERO c1ccc2sc(C3CCN(CC45CC(C4)C[NH2+]5)CC3)nc2c1 ZINC000634991772 401397383 /nfs/dbraw/zinc/39/73/83/401397383.db2.gz QYZOXSYFWLAFIA-UHFFFAOYSA-N 1 0 313.470 3.228 10 0 DGAERO C[C@H]1CN(Cc2cc(Br)c(Cl)s2)C[C@@H]1C[NH3+] ZINC000634998379 401398029 /nfs/dbraw/zinc/39/80/29/401398029.db2.gz DYXWRSZALQJLQE-YUMQZZPRSA-N 1 0 323.687 3.191 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccncc1Br)c1ccccn1 ZINC000631173511 401415788 /nfs/dbraw/zinc/41/57/88/401415788.db2.gz YRWFLEICNRJCPE-NSHDSACASA-N 1 0 306.207 3.132 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c2c(c1)COCC2 ZINC000631243404 401435722 /nfs/dbraw/zinc/43/57/22/401435722.db2.gz GJAUNLFMDJVQHE-SZVBFZGTSA-N 1 0 315.457 3.444 10 0 DGAERO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000631301662 401448098 /nfs/dbraw/zinc/44/80/98/401448098.db2.gz QLJOEFRSOJCDLU-MRXNPFEDSA-N 1 0 321.384 3.090 10 0 DGAERO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000631301661 401448495 /nfs/dbraw/zinc/44/84/95/401448495.db2.gz QLJOEFRSOJCDLU-INIZCTEOSA-N 1 0 321.384 3.090 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000631652220 401524440 /nfs/dbraw/zinc/52/44/40/401524440.db2.gz OWARQGQVQIHWTD-OKYOBFRVSA-N 1 0 313.441 3.065 10 0 DGAERO Cc1ncc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000628264435 401563486 /nfs/dbraw/zinc/56/34/86/401563486.db2.gz NTCVSZGZZRAVMM-GOSISDBHSA-N 1 0 313.445 3.373 10 0 DGAERO c1ccc(Oc2cccnc2)c(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888921 401564780 /nfs/dbraw/zinc/56/47/80/401564780.db2.gz DFTWHZQBWNCQPW-LPHOPBHVSA-N 1 0 323.440 3.448 10 0 DGAERO Cc1ncc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000628286862 401568207 /nfs/dbraw/zinc/56/82/07/401568207.db2.gz CPIUPCDJKXUUIO-SFHVURJKSA-N 1 0 313.445 3.375 10 0 DGAERO c1cc(COc2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)ccn1 ZINC000623752717 401575810 /nfs/dbraw/zinc/57/58/10/401575810.db2.gz KCNNEYAXHMRERE-ICSRJNTNSA-N 1 0 324.424 3.318 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c(Br)c1 ZINC000623754915 401576283 /nfs/dbraw/zinc/57/62/83/401576283.db2.gz VKLQJFDPGQTIAL-HIFRSBDPSA-N 1 0 310.235 3.415 10 0 DGAERO CO[C@](C)(C[NH2+]Cc1oc(C)nc1C)COCc1ccccc1 ZINC000628337302 401578014 /nfs/dbraw/zinc/57/80/14/401578014.db2.gz BOGVPSQVGFLFCB-GOSISDBHSA-N 1 0 318.417 3.003 10 0 DGAERO c1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c2c(c1)OCCCO2 ZINC000628422970 401594900 /nfs/dbraw/zinc/59/49/00/401594900.db2.gz VORVQQRNNGNVIT-CABCVRRESA-N 1 0 305.443 3.318 10 0 DGAERO c1cc(O[C@@H]2CCOC2)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000628423495 401595111 /nfs/dbraw/zinc/59/51/11/401595111.db2.gz XGTUUBRGILUHSX-KURKYZTESA-N 1 0 319.470 3.324 10 0 DGAERO c1coc(CC2C[NH+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)c1 ZINC000628432950 401597429 /nfs/dbraw/zinc/59/74/29/401597429.db2.gz AFLFMVNVXCBJNH-IBGZPJMESA-N 1 0 313.397 3.122 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC23CC3)cc(N2CCSCC2)n1 ZINC000631723883 401544796 /nfs/dbraw/zinc/54/47/96/401544796.db2.gz LIKDXXFPHOXJKM-OAHLLOKOSA-N 1 0 303.475 3.057 10 0 DGAERO c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c2c(c1)COCC2 ZINC000631729835 401545633 /nfs/dbraw/zinc/54/56/33/401545633.db2.gz SJDVEZIAXLIRMP-GUDVDZBRSA-N 1 0 313.441 3.197 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)c2c(c1)COCC2 ZINC000631732886 401546094 /nfs/dbraw/zinc/54/60/94/401546094.db2.gz RSPUYBWHKWWAIG-GOSISDBHSA-N 1 0 301.430 3.198 10 0 DGAERO C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1([C@H]2CCCCO2)CCC1 ZINC000631731715 401546222 /nfs/dbraw/zinc/54/62/22/401546222.db2.gz BHKHTPAVQPVWFA-YVSFHVDLSA-N 1 0 305.462 3.273 10 0 DGAERO CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccsc2Br)C1 ZINC000623563431 401547430 /nfs/dbraw/zinc/54/74/30/401547430.db2.gz YAYRDSJQOLBDAA-LLVKDONJSA-N 1 0 317.296 3.473 10 0 DGAERO FC(F)(F)c1sccc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000623564558 401547498 /nfs/dbraw/zinc/54/74/98/401547498.db2.gz JDFFKHZWQBVUJZ-MRVPVSSYSA-N 1 0 301.280 3.281 10 0 DGAERO c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000623589552 401551639 /nfs/dbraw/zinc/55/16/39/401551639.db2.gz ORNDYHKHKNSAKT-SFNKJDCFSA-N 1 0 301.430 3.380 10 0 DGAERO Cc1nc(C)c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000628225758 401553880 /nfs/dbraw/zinc/55/38/80/401553880.db2.gz MNWRWEYJYBVQSA-KBXCAEBGSA-N 1 0 313.445 3.434 10 0 DGAERO Cc1ncc(C[NH2+]CC2(CCOCc3ccccc3)CC2)o1 ZINC000628239956 401558124 /nfs/dbraw/zinc/55/81/24/401558124.db2.gz KVSPQKGTZOEQTA-UHFFFAOYSA-N 1 0 300.402 3.460 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000624235974 401642569 /nfs/dbraw/zinc/64/25/69/401642569.db2.gz UEEGGGBFOQRAHM-IHRRRGAJSA-N 1 0 304.217 3.184 10 0 DGAERO c1csc(CC2C[NH+](Cc3c[nH]nc3-c3cccnc3)C2)c1 ZINC000628478468 401604511 /nfs/dbraw/zinc/60/45/11/401604511.db2.gz DEDDMUHOCCTOHW-UHFFFAOYSA-N 1 0 310.426 3.208 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@@H](C)C[NH+](C)C)o1 ZINC000358517693 286082486 /nfs/dbraw/zinc/08/24/86/286082486.db2.gz CTDCHWQZWBRKCH-YDHLFZDLSA-N 1 0 307.438 3.021 10 0 DGAERO CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccccc1OC ZINC000358864881 286172422 /nfs/dbraw/zinc/17/24/22/286172422.db2.gz VMHIGMHNJJJZMJ-GFCCVEGCSA-N 1 0 320.462 3.016 10 0 DGAERO C[C@H](CSc1nnc(C[C@H](C)c2ccccc2)o1)[NH+](C)C ZINC000358861148 286171600 /nfs/dbraw/zinc/17/16/00/286171600.db2.gz MOSIKXYGHDRYNN-QWHCGFSZSA-N 1 0 305.447 3.458 10 0 DGAERO Cc1cc(C2CC[NH+](CCOc3ccc(F)cc3)CC2)[nH]n1 ZINC000359508644 286323040 /nfs/dbraw/zinc/32/30/40/286323040.db2.gz PCUMBKPAUMRDRB-UHFFFAOYSA-N 1 0 303.381 3.116 10 0 DGAERO COc1cc2c(cc1F)[nH+]ccc2N1CCO[C@H](C(C)C)C1 ZINC000359559576 286335736 /nfs/dbraw/zinc/33/57/36/286335736.db2.gz QDOHJORVFOQGHR-KRWDZBQOSA-N 1 0 304.365 3.244 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000359613959 286347157 /nfs/dbraw/zinc/34/71/57/286347157.db2.gz SUJORFPVTIXFBE-XJKSGUPXSA-N 1 0 324.852 3.098 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000359755261 286375445 /nfs/dbraw/zinc/37/54/45/286375445.db2.gz ZDRRRPFOMXAGIC-INIZCTEOSA-N 1 0 318.465 3.229 10 0 DGAERO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360044556 286413682 /nfs/dbraw/zinc/41/36/82/286413682.db2.gz GAWFVELCYIWJGB-LZLYRXPVSA-N 1 0 317.477 3.223 10 0 DGAERO COCCCC[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000074348544 292320654 /nfs/dbraw/zinc/32/06/54/292320654.db2.gz ZRRDNNIWDLEWAV-OAHLLOKOSA-N 1 0 310.869 3.445 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]CCc1cccc(OC)n1)CCC2 ZINC000361929189 286746172 /nfs/dbraw/zinc/74/61/72/286746172.db2.gz YKMAUZLSACPFDZ-GOSISDBHSA-N 1 0 312.413 3.309 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000468127687 288475284 /nfs/dbraw/zinc/47/52/84/288475284.db2.gz VBDFRTAXCGATES-MTSZKFMLSA-N 1 0 306.494 3.295 10 0 DGAERO C[NH+]1CCC(CC(=O)N2CCC(OC3CCCCC3)CC2)CC1 ZINC000362696180 286850977 /nfs/dbraw/zinc/85/09/77/286850977.db2.gz BITQQZJUHOJIBB-UHFFFAOYSA-N 1 0 322.493 3.059 10 0 DGAERO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000107824315 286952028 /nfs/dbraw/zinc/95/20/28/286952028.db2.gz IINNYDUKLKLXPR-AEFFLSMTSA-N 1 0 315.461 3.408 10 0 DGAERO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1c1ccccc1 ZINC000363820460 286962295 /nfs/dbraw/zinc/96/22/95/286962295.db2.gz LLFJWESIBLKRBE-VQIMIIECSA-N 1 0 314.473 3.371 10 0 DGAERO CC1(C)[C@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@H]2CCO[C@@H]21 ZINC000364077216 286985353 /nfs/dbraw/zinc/98/53/53/286985353.db2.gz YDZNWLZDLBWKLS-ILEACXBISA-N 1 0 301.430 3.137 10 0 DGAERO Brc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCSC1 ZINC000364265423 287005197 /nfs/dbraw/zinc/00/51/97/287005197.db2.gz HALDDTKVRMAGSV-BXKDBHETSA-N 1 0 314.248 3.368 10 0 DGAERO c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000364302426 287009776 /nfs/dbraw/zinc/00/97/76/287009776.db2.gz JKFKEDOJNUEEIS-UKPHBRMFSA-N 1 0 305.443 3.151 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364559460 287039196 /nfs/dbraw/zinc/03/91/96/287039196.db2.gz HMRXOFRVAZOYKV-FYWRMAATSA-N 1 0 316.420 3.221 10 0 DGAERO CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000364648617 287048703 /nfs/dbraw/zinc/04/87/03/287048703.db2.gz RKBGRWGQCWHQKS-LLVKDONJSA-N 1 0 315.244 3.136 10 0 DGAERO O[C@H](CN1CCC[C@H]1c1ccc(F)c(F)c1)CC(F)(F)F ZINC000364894743 287072486 /nfs/dbraw/zinc/07/24/86/287072486.db2.gz LUZPIRGSVNENPW-GWCFXTLKSA-N 1 0 309.278 3.415 10 0 DGAERO Cc1cccc([C@@H](C)[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000173606836 164701442 /nfs/dbraw/zinc/70/14/42/164701442.db2.gz PALKMPGZXRIYJE-MRXNPFEDSA-N 1 0 313.445 3.124 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1 ZINC000174198586 164721243 /nfs/dbraw/zinc/72/12/43/164721243.db2.gz WJCRHWXTBMJWHA-CZUORRHYSA-N 1 0 318.852 3.393 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1OC ZINC000175005172 164744947 /nfs/dbraw/zinc/74/49/47/164744947.db2.gz RETXYYBSHTUKKW-ZIAGYGMSSA-N 1 0 322.836 3.047 10 0 DGAERO O[C@@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)CC(F)(F)F ZINC000364913160 287074971 /nfs/dbraw/zinc/07/49/71/287074971.db2.gz FANAJPZEIWWBKP-HUUCEWRRSA-N 1 0 317.351 3.057 10 0 DGAERO CCOc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)ccc1C ZINC000175022444 164746386 /nfs/dbraw/zinc/74/63/86/164746386.db2.gz QVCVKGMPYIPXDX-IAGOWNOFSA-N 1 0 316.445 3.093 10 0 DGAERO O[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)CC(F)(F)F ZINC000364913158 287075034 /nfs/dbraw/zinc/07/50/34/287075034.db2.gz FANAJPZEIWWBKP-CABCVRRESA-N 1 0 317.351 3.057 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000175654506 164763082 /nfs/dbraw/zinc/76/30/82/164763082.db2.gz XXPGMVRRBNSIKO-CQSZACIVSA-N 1 0 314.433 3.247 10 0 DGAERO COc1c(C)cc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1C ZINC000180012064 164872733 /nfs/dbraw/zinc/87/27/33/164872733.db2.gz NBEJLXCCKUQKEE-UHFFFAOYSA-N 1 0 316.445 3.012 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nc(C(C)C)nn3C1)CC2 ZINC000180640189 164890441 /nfs/dbraw/zinc/89/04/41/164890441.db2.gz KCMWSJQWRSJTTF-DOTOQJQBSA-N 1 0 310.445 3.302 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1F ZINC000183228306 164947505 /nfs/dbraw/zinc/94/75/05/164947505.db2.gz LQYNSMHJXIQMOD-BHADISHBSA-N 1 0 305.393 3.443 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000185347739 165000680 /nfs/dbraw/zinc/00/06/80/165000680.db2.gz SOPXXMDRPDUSPR-IRXDYDNUSA-N 1 0 312.413 3.236 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@@H](CO)CC(C)C)s1 ZINC000185328509 165000966 /nfs/dbraw/zinc/00/09/66/165000966.db2.gz JZMLHWQLKCVEJE-SNVBAGLBSA-N 1 0 310.385 3.309 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000185787457 165016782 /nfs/dbraw/zinc/01/67/82/165016782.db2.gz URDAUSSEHOHCII-JCGIZDLHSA-N 1 0 315.461 3.015 10 0 DGAERO O[C@H](COCc1ccccc1)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186179161 165030411 /nfs/dbraw/zinc/03/04/11/165030411.db2.gz CKZGJZVVNGAQEE-IBGZPJMESA-N 1 0 323.436 3.112 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2)C12CCOCC2 ZINC000186335416 165039900 /nfs/dbraw/zinc/03/99/00/165039900.db2.gz FXRSZPPIGVFBFV-BHYGNILZSA-N 1 0 321.465 3.089 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1csc(C(C)C)n1)CC2 ZINC000186399392 165042043 /nfs/dbraw/zinc/04/20/43/165042043.db2.gz AMCGYAOAHTVLMD-NWDGAFQWSA-N 1 0 319.478 3.086 10 0 DGAERO Cc1c(NC(=O)c2ccc(C[NH3+])cc2)cnn1-c1ccccc1F ZINC000186472525 165044965 /nfs/dbraw/zinc/04/49/65/165044965.db2.gz OOHFEXRJQMFZDA-UHFFFAOYSA-N 1 0 324.359 3.031 10 0 DGAERO O=C(Cc1cccc2ccccc21)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186506862 165046908 /nfs/dbraw/zinc/04/69/08/165046908.db2.gz PKVMDMYCWTYARL-KRWDZBQOSA-N 1 0 308.425 3.125 10 0 DGAERO O=C(c1cccc(Cl)c1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186507038 165047136 /nfs/dbraw/zinc/04/71/36/165047136.db2.gz GLLCRHVVQANWOB-JTQLQIEISA-N 1 0 313.228 3.350 10 0 DGAERO O=C(CCCc1ccc(F)c(F)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186549777 165049959 /nfs/dbraw/zinc/04/99/59/165049959.db2.gz XQIZCHXHNOUPLE-AWEZNQCLSA-N 1 0 322.399 3.031 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCCCCSC)C12CCOCC2 ZINC000186772903 165059420 /nfs/dbraw/zinc/05/94/20/165059420.db2.gz AVLKDBGCYOYARF-LSDHHAIUSA-N 1 0 301.496 3.084 10 0 DGAERO CCCc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1 ZINC000187127645 165076729 /nfs/dbraw/zinc/07/67/29/165076729.db2.gz HCLJKDBGCZLNDV-CEXWTWQISA-N 1 0 303.446 3.407 10 0 DGAERO O=C(CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000187190098 165080524 /nfs/dbraw/zinc/08/05/24/165080524.db2.gz FVEUSJDZNIHBFQ-SJKOYZFVSA-N 1 0 309.356 3.039 10 0 DGAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(C)n1 ZINC000187405301 165088697 /nfs/dbraw/zinc/08/86/97/165088697.db2.gz IREGUVZPSJEJMS-AWEZNQCLSA-N 1 0 307.401 3.130 10 0 DGAERO COc1ccccc1COC1CC[NH+](C[C@@](C)(O)C(C)C)CC1 ZINC000187394912 165088996 /nfs/dbraw/zinc/08/89/96/165088996.db2.gz DOGQYULKHLVTAL-LJQANCHMSA-N 1 0 321.461 3.083 10 0 DGAERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)C1CCSCC1 ZINC000187387601 165089604 /nfs/dbraw/zinc/08/96/04/165089604.db2.gz ZMNIAWQDNMJZJW-SECBINFHSA-N 1 0 307.385 3.060 10 0 DGAERO C[C@H](C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000187434268 165092011 /nfs/dbraw/zinc/09/20/11/165092011.db2.gz FKAJHVDKFLWSOJ-RKVPGOIHSA-N 1 0 322.880 3.096 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000188162565 165114426 /nfs/dbraw/zinc/11/44/26/165114426.db2.gz JNPJRLXSJIJYMS-LBPRGKRZSA-N 1 0 323.506 3.110 10 0 DGAERO Cc1ccc(CC[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)cc1 ZINC000188149875 165114827 /nfs/dbraw/zinc/11/48/27/165114827.db2.gz FPVPAZOULUCNLZ-MSOLQXFVSA-N 1 0 301.455 3.307 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000188125948 165115401 /nfs/dbraw/zinc/11/54/01/165115401.db2.gz XZXIWQNQZYVIBH-UHFFFAOYSA-N 1 0 321.465 3.221 10 0 DGAERO C/C(=C\C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1Cl ZINC000188625297 165131179 /nfs/dbraw/zinc/13/11/79/165131179.db2.gz APBMHCUFPWESTH-OUKQBFOZSA-N 1 0 304.821 3.050 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccc3c(c2)C[NH2+]C3)o1 ZINC000188662434 165132281 /nfs/dbraw/zinc/13/22/81/165132281.db2.gz SWVKALJWKRZDTC-OCDOYGFISA-N 1 0 322.408 3.336 10 0 DGAERO CCOc1ccc(/C=C/C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000188721309 165134235 /nfs/dbraw/zinc/13/42/35/165134235.db2.gz AFSMWJVJRBPAPK-UXBLZVDNSA-N 1 0 322.408 3.018 10 0 DGAERO CC(C)c1n[nH]cc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000189124840 165149989 /nfs/dbraw/zinc/14/99/89/165149989.db2.gz XYKXFCQSRUNXGF-GJZGRUSLSA-N 1 0 320.481 3.021 10 0 DGAERO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(F)nc1)c1ccccc1 ZINC000189443402 165162648 /nfs/dbraw/zinc/16/26/48/165162648.db2.gz HKPUVAWMYUTFKQ-IRXDYDNUSA-N 1 0 300.377 3.309 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189561976 165166841 /nfs/dbraw/zinc/16/68/41/165166841.db2.gz UYEBEVWMBCJADS-NVXWUHKLSA-N 1 0 316.445 3.344 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)O1 ZINC000189713890 165174739 /nfs/dbraw/zinc/17/47/39/165174739.db2.gz DUWYOCCAKPTSLY-LBPRGKRZSA-N 1 0 321.371 3.402 10 0 DGAERO CCOC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)C(C)C ZINC000189818186 165177816 /nfs/dbraw/zinc/17/78/16/165177816.db2.gz KFHWTGPJKMAVFX-ZFWWWQNUSA-N 1 0 303.406 3.448 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H](O)CC(F)(F)F)C2)c1 ZINC000189925202 165182079 /nfs/dbraw/zinc/18/20/79/165182079.db2.gz USLSNVLQEUEABK-DZGCQCFKSA-N 1 0 301.352 3.406 10 0 DGAERO c1cc2c(cccc2C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)[nH]1 ZINC000189898532 165182211 /nfs/dbraw/zinc/18/22/11/165182211.db2.gz VQBXMOQVSBTFOX-UHFFFAOYSA-N 1 0 321.428 3.091 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000190166110 165191211 /nfs/dbraw/zinc/19/12/11/165191211.db2.gz CUHMEDDKNZYTKC-FUHWJXTLSA-N 1 0 324.509 3.162 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000190166127 165191492 /nfs/dbraw/zinc/19/14/92/165191492.db2.gz CUHMEDDKNZYTKC-WMZOPIPTSA-N 1 0 324.509 3.162 10 0 DGAERO c1ccc(N[C@H]2CC[N@@H+](CC3CCC4(CC3)OCCO4)C2)cc1 ZINC000190293038 165197042 /nfs/dbraw/zinc/19/70/42/165197042.db2.gz GXNMHPIOFSKDDJ-SFHVURJKSA-N 1 0 316.445 3.106 10 0 DGAERO FC(F)SCc1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)o1 ZINC000190337935 165199393 /nfs/dbraw/zinc/19/93/93/165199393.db2.gz ZREXMNJMDJLLQT-UPJWGTAASA-N 1 0 303.374 3.393 10 0 DGAERO C[C@H]1OCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000190556509 165208862 /nfs/dbraw/zinc/20/88/62/165208862.db2.gz FQRCIISCHSJOEF-SJORKVTESA-N 1 0 322.493 3.107 10 0 DGAERO CCc1nnc(C2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)[nH]1 ZINC000190646984 165210942 /nfs/dbraw/zinc/21/09/42/165210942.db2.gz LPXBATWGVYJSDH-LBPRGKRZSA-N 1 0 302.397 3.447 10 0 DGAERO CCn1cc([C@@H]2CN([C@@H](C)c3ccc(F)cc3)CCO2)cn1 ZINC000190780104 165215245 /nfs/dbraw/zinc/21/52/45/165215245.db2.gz IBKUKMGJLRJTIC-GUYCJALGSA-N 1 0 303.381 3.177 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191091974 165230553 /nfs/dbraw/zinc/23/05/53/165230553.db2.gz BMNHCRNGTATUNU-VDZJLULYSA-N 1 0 308.510 3.170 10 0 DGAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCN(C)C(=O)C1 ZINC000191149403 165233471 /nfs/dbraw/zinc/23/34/71/165233471.db2.gz SKTMAERGQMGJCK-JTQLQIEISA-N 1 0 301.217 3.219 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@H](O)C2CCCCC2)c(OC)c1 ZINC000191226633 165237196 /nfs/dbraw/zinc/23/71/96/165237196.db2.gz DNQXLVHFWFPJMM-KRWDZBQOSA-N 1 0 307.434 3.077 10 0 DGAERO CCn1cc(C2CC[NH+](C[C@H](O)CC3CCCC3)CC2)cn1 ZINC000191323686 165244483 /nfs/dbraw/zinc/24/44/83/165244483.db2.gz NIWUCEPOHQQRGY-GOSISDBHSA-N 1 0 305.466 3.024 10 0 DGAERO CC1CCC([NH+]2CCN(C[C@@H](O)CC3CCCC3)CC2)CC1 ZINC000191346219 165244660 /nfs/dbraw/zinc/24/46/60/165244660.db2.gz FMPIOUYIPJWJQW-KVZIAJEVSA-N 1 0 308.510 3.124 10 0 DGAERO CC[C@@H](C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)[NH+](C)C ZINC000191530286 165256962 /nfs/dbraw/zinc/25/69/62/165256962.db2.gz OUAMIYBNBFDXNV-WBMJQRKESA-N 1 0 310.388 3.011 10 0 DGAERO CC[C@H](C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)[NH+](C)C ZINC000191530272 165257620 /nfs/dbraw/zinc/25/76/20/165257620.db2.gz OUAMIYBNBFDXNV-BLLLJJGKSA-N 1 0 310.388 3.011 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3ccc(F)cc3C)CC2)[nH]1 ZINC000191692539 165264580 /nfs/dbraw/zinc/26/45/80/165264580.db2.gz LMTPRAMBAGRYQE-UHFFFAOYSA-N 1 0 302.397 3.194 10 0 DGAERO Cc1ccccc1C(=O)NC1CCN(c2cc[nH+]cc2C)CC1 ZINC000191978870 165277735 /nfs/dbraw/zinc/27/77/35/165277735.db2.gz SVQNIVDQZGYUOP-UHFFFAOYSA-N 1 0 309.413 3.097 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(-n2ccnc2)cc1C ZINC000192053128 165281610 /nfs/dbraw/zinc/28/16/10/165281610.db2.gz QWQIANUMFWXWNY-LJQANCHMSA-N 1 0 312.461 3.097 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@@H+]([C@@H](C)c3nnnn3C3CC3)C2)c1 ZINC000192175444 165284835 /nfs/dbraw/zinc/28/48/35/165284835.db2.gz PWRNYQCSUGOGFP-LSDHHAIUSA-N 1 0 311.433 3.175 10 0 DGAERO Cc1csc2c1ncnc2N1CCC(C[NH+]2CCCC2)CC1 ZINC000192503986 165295038 /nfs/dbraw/zinc/29/50/38/165295038.db2.gz PIZUJIJWGAIEAN-UHFFFAOYSA-N 1 0 316.474 3.312 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)c2ncnc3c(C)csc32)[C@H](C)C1 ZINC000192621522 165299079 /nfs/dbraw/zinc/29/90/79/165299079.db2.gz OBHSSHQLKFLSDR-YPMHNXCESA-N 1 0 304.463 3.166 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000192666864 165300956 /nfs/dbraw/zinc/30/09/56/165300956.db2.gz GWHWOCCSXNOHKC-JQIJEIRASA-N 1 0 308.429 3.139 10 0 DGAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1 ZINC000192710672 165304595 /nfs/dbraw/zinc/30/45/95/165304595.db2.gz UPKMRQPIGAHSJQ-LBPRGKRZSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000192756567 165306018 /nfs/dbraw/zinc/30/60/18/165306018.db2.gz KYATWUGCVSIJLH-NEWSRXKRSA-N 1 0 302.462 3.056 10 0 DGAERO c1ccc(C[N@H+]2CC[C@@H](CNc3ccnc(C4CC4)n3)C2)cc1 ZINC000192953547 165312054 /nfs/dbraw/zinc/31/20/54/165312054.db2.gz HWNPOCPVMZOFAK-INIZCTEOSA-N 1 0 308.429 3.288 10 0 DGAERO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000193124211 165318160 /nfs/dbraw/zinc/31/81/60/165318160.db2.gz MQHAIHITLYHVBP-LAQRGFTBSA-N 1 0 318.461 3.190 10 0 DGAERO COc1cc(C[NH2+]C[C@@H]2CCN(C)c3ccccc32)ccc1O ZINC000193830597 165333614 /nfs/dbraw/zinc/33/36/14/165333614.db2.gz CJBUMSPUQCGTDI-HNNXBMFYSA-N 1 0 312.413 3.114 10 0 DGAERO CCC1(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000194437981 165346630 /nfs/dbraw/zinc/34/66/30/165346630.db2.gz WVRWUQOAFKASEI-KRWDZBQOSA-N 1 0 315.461 3.140 10 0 DGAERO Cc1ccc(F)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000194693211 165352254 /nfs/dbraw/zinc/35/22/54/165352254.db2.gz GVAOYVYSRVNDOJ-UHFFFAOYSA-N 1 0 304.409 3.082 10 0 DGAERO COc1cccc2c1CC[N@H+](Cc1ccc(O)c(OC)c1)CC2 ZINC000195004820 165359223 /nfs/dbraw/zinc/35/92/23/165359223.db2.gz SSXMLJHAWBLMBI-UHFFFAOYSA-N 1 0 313.397 3.010 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C2)n1 ZINC000195324209 165364694 /nfs/dbraw/zinc/36/46/94/165364694.db2.gz KFKVZQPZCRIZGX-LSDHHAIUSA-N 1 0 323.506 3.182 10 0 DGAERO CC(C)Oc1ccc(Cl)cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195337411 165365572 /nfs/dbraw/zinc/36/55/72/165365572.db2.gz DIEMGCFKWNNUIN-CQSZACIVSA-N 1 0 322.836 3.047 10 0 DGAERO O[C@@H](C[N@@H+]1CCC[C@H](c2nccs2)C1)c1c(F)cccc1F ZINC000195339808 165368006 /nfs/dbraw/zinc/36/80/06/165368006.db2.gz GULYTFPPMWFGDG-FZMZJTMJSA-N 1 0 324.396 3.334 10 0 DGAERO Cc1csc([C@H]2CN(CCCOc3ccccc3)CCO2)n1 ZINC000195390714 165368917 /nfs/dbraw/zinc/36/89/17/165368917.db2.gz GKIZNBZNTPAVIB-MRXNPFEDSA-N 1 0 318.442 3.294 10 0 DGAERO CCc1csc([C@H]2CCCN(Cc3noc(CC)n3)C2)n1 ZINC000195442979 165370872 /nfs/dbraw/zinc/37/08/72/165370872.db2.gz JWAOYJJFWRHQJM-NSHDSACASA-N 1 0 306.435 3.031 10 0 DGAERO CCc1csc([C@@H]2CCCN(Cc3noc(CC)n3)C2)n1 ZINC000195442974 165371084 /nfs/dbraw/zinc/37/10/84/165371084.db2.gz JWAOYJJFWRHQJM-LLVKDONJSA-N 1 0 306.435 3.031 10 0 DGAERO CCn1cc(C2CC[NH+](CCOc3cccc(C)c3)CC2)cn1 ZINC000195500439 165371544 /nfs/dbraw/zinc/37/15/44/165371544.db2.gz WLFMLCFNQNCMAP-UHFFFAOYSA-N 1 0 313.445 3.470 10 0 DGAERO Cn1nccc1C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000195504486 165372099 /nfs/dbraw/zinc/37/20/99/165372099.db2.gz OVFKDXYMCWAINL-UHFFFAOYSA-N 1 0 321.371 3.401 10 0 DGAERO Cn1nccc1C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000195503879 165372184 /nfs/dbraw/zinc/37/21/84/165372184.db2.gz LTXIBLIANOLBJQ-UHFFFAOYSA-N 1 0 303.837 3.496 10 0 DGAERO O[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000217853417 165378260 /nfs/dbraw/zinc/37/82/60/165378260.db2.gz BHUMFSGHTWIHLF-PWSUYJOCSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Cl)s1 ZINC000227153936 165385604 /nfs/dbraw/zinc/38/56/04/165385604.db2.gz YSBTYJZKPPPTQZ-WDMOLILDSA-N 1 0 301.839 3.390 10 0 DGAERO Cc1cc(CN2CCCC[C@@H]2[C@H](C)[NH3+])ccc1Br ZINC000227372215 165385773 /nfs/dbraw/zinc/38/57/73/165385773.db2.gz GFVFSTMQPZVZKE-SWLSCSKDSA-N 1 0 311.267 3.459 10 0 DGAERO Cc1ccc(CN2CCC[C@H](C)[C@H]2C[NH3+])cc1Br ZINC000229035384 165391084 /nfs/dbraw/zinc/39/10/84/165391084.db2.gz FRNGSRZWNFUJIR-SWLSCSKDSA-N 1 0 311.267 3.317 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]CC[C@@H]1CCOC1 ZINC000230410807 165396985 /nfs/dbraw/zinc/39/69/85/165396985.db2.gz KWKVWHDNIRETML-ABAIWWIYSA-N 1 0 310.235 3.453 10 0 DGAERO CC(C)C[C@H](C[NH3+])Nc1ncc(Br)cc1Cl ZINC000232613849 165401974 /nfs/dbraw/zinc/40/19/74/165401974.db2.gz DQUPWEGHAJYDEF-SECBINFHSA-N 1 0 306.635 3.283 10 0 DGAERO c1ccc(CN2CCC[C@H]([NH2+][C@@H]3COc4ccccc43)C2)cc1 ZINC000236598937 165408499 /nfs/dbraw/zinc/40/84/99/165408499.db2.gz FPMOPBALCYPNJG-PKOBYXMFSA-N 1 0 308.425 3.374 10 0 DGAERO CC[C@H]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000246860196 165545235 /nfs/dbraw/zinc/54/52/35/165545235.db2.gz DEIIBQORQVQEOT-ZSNVMCELSA-N 1 0 307.482 3.270 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000247957060 165601867 /nfs/dbraw/zinc/60/18/67/165601867.db2.gz FRCBNAJUUCRMAS-VDZJLULYSA-N 1 0 313.445 3.133 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4ccccc4s3)CC[C@H]21 ZINC000248005348 165603641 /nfs/dbraw/zinc/60/36/41/165603641.db2.gz KTQBZIWFWXUASK-LSDHHAIUSA-N 1 0 314.454 3.458 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000248706106 165644983 /nfs/dbraw/zinc/64/49/83/165644983.db2.gz HOWDZIJDVWULQP-WQFMGJDKSA-N 1 0 305.393 3.443 10 0 DGAERO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248732089 165647014 /nfs/dbraw/zinc/64/70/14/165647014.db2.gz MADZGBWKCMFJHJ-BIYBGRMPSA-N 1 0 321.486 3.497 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)Cc1ccccc1F ZINC000253549593 165704758 /nfs/dbraw/zinc/70/47/58/165704758.db2.gz UBNFWLQNIPOAKT-UAGQMJEPSA-N 1 0 318.436 3.090 10 0 DGAERO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261793367 165748328 /nfs/dbraw/zinc/74/83/28/165748328.db2.gz QIGZNCFSEJUJCP-NWANDNLSSA-N 1 0 300.402 3.327 10 0 DGAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000261796875 165749655 /nfs/dbraw/zinc/74/96/55/165749655.db2.gz DRLBCMAACXIZDU-BPQIPLTHSA-N 1 0 300.446 3.219 10 0 DGAERO CCc1sc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1C ZINC000261825208 165753679 /nfs/dbraw/zinc/75/36/79/165753679.db2.gz YMUDFEZPQDPYAZ-UHFFFAOYSA-N 1 0 316.470 3.263 10 0 DGAERO CCCOc1ccc([C@@H](C)NC(=O)C[C@H](C)[NH3+])cc1OCCC ZINC000261853829 165757232 /nfs/dbraw/zinc/75/72/32/165757232.db2.gz PCOOXSFLPAIOOM-UONOGXRCSA-N 1 0 322.449 3.179 10 0 DGAERO CCc1ccc([C@H](C)CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261957524 165772105 /nfs/dbraw/zinc/77/21/05/165772105.db2.gz KOUMNASLJXNWCS-PBHICJAKSA-N 1 0 302.462 3.328 10 0 DGAERO C[NH2+]CCc1ccccc1C(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000262057418 165782207 /nfs/dbraw/zinc/78/22/07/165782207.db2.gz DQTQZRFTAYQTBF-HZPDHXFCSA-N 1 0 302.462 3.395 10 0 DGAERO C[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(Cl)s1 ZINC000262179099 165792061 /nfs/dbraw/zinc/79/20/61/165792061.db2.gz YYOHXEFNHQAGOF-KOLCDFICSA-N 1 0 300.855 3.091 10 0 DGAERO C[C@@H](C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1C[NH2+]C1 ZINC000262199227 165792980 /nfs/dbraw/zinc/79/29/80/165792980.db2.gz MWVDEEPGTJNXHK-QRWLVFNGSA-N 1 0 320.436 3.016 10 0 DGAERO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000262439141 165803415 /nfs/dbraw/zinc/80/34/15/165803415.db2.gz XTMOALLWFVWMPM-KHYOSLBOSA-N 1 0 323.440 3.314 10 0 DGAERO C[C@H](C(=O)Nc1nc(/C=C/c2ccccc2)cs1)C1C[NH2+]C1 ZINC000262507161 165806095 /nfs/dbraw/zinc/80/60/95/165806095.db2.gz JFRSXMDBWCBQSW-GUOLPTJISA-N 1 0 313.426 3.108 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(C)(C)CCCc1ccccc1 ZINC000262835016 165820865 /nfs/dbraw/zinc/82/08/65/165820865.db2.gz QTOCPTSMIGDOCD-DOTOQJQBSA-N 1 0 302.462 3.150 10 0 DGAERO CSCCCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263073061 165833055 /nfs/dbraw/zinc/83/30/55/165833055.db2.gz ZXBBJZQOZMLHHP-UHFFFAOYSA-N 1 0 306.353 3.246 10 0 DGAERO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000365904181 287186932 /nfs/dbraw/zinc/18/69/32/287186932.db2.gz VSBYFKLXDJTWID-YESZJQIVSA-N 1 0 304.478 3.290 10 0 DGAERO c1cc(-c2ccc(C[NH+]3CCC(C4CCOCC4)CC3)o2)n[nH]1 ZINC000366027157 287201801 /nfs/dbraw/zinc/20/18/01/287201801.db2.gz ZLTBSSBQSMEUSQ-UHFFFAOYSA-N 1 0 315.417 3.308 10 0 DGAERO Cc1ccc2nc(C[NH2+][C@H]3CCCC[C@H]3n3cccn3)cn2c1 ZINC000128918397 196003806 /nfs/dbraw/zinc/00/38/06/196003806.db2.gz MVQUDXWZUDGYQI-DLBZAZTESA-N 1 0 309.417 3.113 10 0 DGAERO CCOC(=O)CCCCN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128915870 196003921 /nfs/dbraw/zinc/00/39/21/196003921.db2.gz DNGCURMBXMFWHY-KRWDZBQOSA-N 1 0 323.408 3.241 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190400106 432152721 /nfs/dbraw/zinc/15/27/21/432152721.db2.gz GYEOLGABCOVVRO-HOTGVXAUSA-N 1 0 323.502 3.235 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000171616533 432153046 /nfs/dbraw/zinc/15/30/46/432153046.db2.gz LEMVVCACGWFJNN-GOSISDBHSA-N 1 0 324.424 3.123 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171605728 432150927 /nfs/dbraw/zinc/15/09/27/432150927.db2.gz JPNJTMOKMOERTA-NSISKUIASA-N 1 0 320.436 3.250 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc2cc(Cl)ccc2o1 ZINC000181928765 432151185 /nfs/dbraw/zinc/15/11/85/432151185.db2.gz RNDKHKCIJPUEPT-BXUZGUMPSA-N 1 0 308.809 3.067 10 0 DGAERO Cc1ccccc1[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000246652603 432151262 /nfs/dbraw/zinc/15/12/62/432151262.db2.gz RASLOAHBIAOROS-WMZOPIPTSA-N 1 0 315.461 3.182 10 0 DGAERO Fc1ccc(-n2ccc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)n2)cc1 ZINC000246726484 432159423 /nfs/dbraw/zinc/15/94/23/432159423.db2.gz OKYHUCRXSOWFDS-KSSFIOAISA-N 1 0 315.392 3.012 10 0 DGAERO C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccc(F)cc1F ZINC000246728777 432159624 /nfs/dbraw/zinc/15/96/24/432159624.db2.gz OONQLWPECKALPC-NFAWXSAZSA-N 1 0 322.399 3.154 10 0 DGAERO c1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCCCC3)C1)OCCO2 ZINC000136731059 432162194 /nfs/dbraw/zinc/16/21/94/432162194.db2.gz OPTVEFGCLMRKSF-MRXNPFEDSA-N 1 0 317.429 3.429 10 0 DGAERO CC(C)[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(F)c(F)c1 ZINC000182122406 432160705 /nfs/dbraw/zinc/16/07/05/432160705.db2.gz CJUNPAMFMLIYSW-DLBZAZTESA-N 1 0 313.388 3.041 10 0 DGAERO CCCn1c(C)cc(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246741615 432161582 /nfs/dbraw/zinc/16/15/82/432161582.db2.gz YONJTOFXEAQEGJ-WMLDXEAASA-N 1 0 319.493 3.112 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000246675059 432153253 /nfs/dbraw/zinc/15/32/53/432153253.db2.gz FVPKTYRWFQNHBF-QFBILLFUSA-N 1 0 323.440 3.238 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000246666006 432153686 /nfs/dbraw/zinc/15/36/86/432153686.db2.gz DVXFUCBAAVDIGT-RDJZCZTQSA-N 1 0 310.482 3.009 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cncc(-c3ccccc3)c2)C1 ZINC000246684686 432154096 /nfs/dbraw/zinc/15/40/96/432154096.db2.gz YCHKVAFGNHCVRH-HNAYVOBHSA-N 1 0 323.440 3.207 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000246687131 432155246 /nfs/dbraw/zinc/15/52/46/432155246.db2.gz WFTILUBPTSPXDO-RVKKMQEKSA-N 1 0 313.445 3.115 10 0 DGAERO Cc1ccc2cc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)ccc2n1 ZINC000246710325 432157358 /nfs/dbraw/zinc/15/73/58/432157358.db2.gz UKVYNDUAPALJCL-ACJLOTCBSA-N 1 0 311.429 3.002 10 0 DGAERO COc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCSC1 ZINC000182079078 432157512 /nfs/dbraw/zinc/15/75/12/432157512.db2.gz UNPJCDVBBISDBW-GFCCVEGCSA-N 1 0 316.264 3.395 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000269288689 432158874 /nfs/dbraw/zinc/15/88/74/432158874.db2.gz ORRSIPKLHQSAOH-AWEZNQCLSA-N 1 0 304.434 3.472 10 0 DGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137132082 432172325 /nfs/dbraw/zinc/17/23/25/432172325.db2.gz MRFPZKXPXPCBSJ-GWCFXTLKSA-N 1 0 318.642 3.353 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137132154 432171659 /nfs/dbraw/zinc/17/16/59/432171659.db2.gz MRFPZKXPXPCBSJ-GXFFZTMASA-N 1 0 318.642 3.353 10 0 DGAERO COC(=O)c1ccc(C[N@H+](C)CCc2ncc(C)s2)c(F)c1 ZINC000137169717 432171854 /nfs/dbraw/zinc/17/18/54/432171854.db2.gz CWGRYAQMYPZETC-UHFFFAOYSA-N 1 0 322.405 3.052 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3ccccc3s2)C1 ZINC000246854493 432171898 /nfs/dbraw/zinc/17/18/98/432171898.db2.gz UCQFKSWZCJJFDG-LSDHHAIUSA-N 1 0 314.454 3.458 10 0 DGAERO CCC1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000137148356 432171981 /nfs/dbraw/zinc/17/19/81/432171981.db2.gz SCYCUUUEDLBHPM-XGHPGWEVSA-N 1 0 307.482 3.081 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(OC(F)F)c(F)c1)[NH+](C)C ZINC000136802052 432163031 /nfs/dbraw/zinc/16/30/31/432163031.db2.gz SKDUBIITANZGNF-LLVKDONJSA-N 1 0 304.312 3.096 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc2ccccc2c1 ZINC000246791242 432164548 /nfs/dbraw/zinc/16/45/48/432164548.db2.gz BMPXBQDAOMUPHF-BEFAXECRSA-N 1 0 323.440 3.218 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)COCc1cccc(OC)c1 ZINC000246791112 432165257 /nfs/dbraw/zinc/16/52/57/432165257.db2.gz CVWDHVMCPOXARC-ZWKOTPCHSA-N 1 0 321.461 3.227 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000129574921 196058843 /nfs/dbraw/zinc/05/88/43/196058843.db2.gz FGLAOGDCNNMNTF-SNVBAGLBSA-N 1 0 320.742 3.135 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3ccccc3c2)C1 ZINC000246878907 432176472 /nfs/dbraw/zinc/17/64/72/432176472.db2.gz UVMRNAFRLJAHEF-RBUKOAKNSA-N 1 0 308.425 3.396 10 0 DGAERO CC1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)OCCCO1 ZINC000190640298 432178580 /nfs/dbraw/zinc/17/85/80/432178580.db2.gz UDHNPDKHWRELNC-HNNXBMFYSA-N 1 0 303.402 3.176 10 0 DGAERO CC1CC[NH+](CC(=O)N2CC=C(c3cccs3)CC2)CC1 ZINC000137544041 432179202 /nfs/dbraw/zinc/17/92/02/432179202.db2.gz IPDGHLBFDRBZLO-UHFFFAOYSA-N 1 0 304.459 3.096 10 0 DGAERO O=C(CC[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000182329079 432179288 /nfs/dbraw/zinc/17/92/88/432179288.db2.gz ZNBHEGMAKCINBS-MRXNPFEDSA-N 1 0 309.413 3.088 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000246915165 432180433 /nfs/dbraw/zinc/18/04/33/432180433.db2.gz INYQDFFDOWHGMI-ZJUUUORDSA-N 1 0 316.232 3.020 10 0 DGAERO CC(C)c1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171897953 432182202 /nfs/dbraw/zinc/18/22/02/432182202.db2.gz GDYRVQMWXKKDMV-MAUKXSAKSA-N 1 0 315.461 3.361 10 0 DGAERO COCCN(C)c1ccc(C[NH2+][C@@H](C)c2ccccc2C)cn1 ZINC000190678273 432182221 /nfs/dbraw/zinc/18/22/21/432182221.db2.gz VPDDJBKGDWTYCL-INIZCTEOSA-N 1 0 313.445 3.323 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1F ZINC000246844839 432172789 /nfs/dbraw/zinc/17/27/89/432172789.db2.gz BTBPBHQUYQQIKS-OLZOCXBDSA-N 1 0 310.800 3.178 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000246861359 432173916 /nfs/dbraw/zinc/17/39/16/432173916.db2.gz CAMAEQXVWAHNTH-YTQUADARSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000246863111 432174278 /nfs/dbraw/zinc/17/42/78/432174278.db2.gz FCGVWLYDEUAAMV-WBVHZDCISA-N 1 0 301.386 3.165 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C(F)F)c1 ZINC000246875844 432175658 /nfs/dbraw/zinc/17/56/58/432175658.db2.gz FOMOSWKTOVADSD-GJZGRUSLSA-N 1 0 308.372 3.323 10 0 DGAERO Cn1c2ccccc2nc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246956781 432184436 /nfs/dbraw/zinc/18/44/36/432184436.db2.gz UVECSHMEHBOSHS-MAUKXSAKSA-N 1 0 324.472 3.022 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@H](C)c3ccccc3)CCO2)n1 ZINC000246975946 432187100 /nfs/dbraw/zinc/18/71/00/432187100.db2.gz FDMMISLREWSVDQ-KXBFYZLASA-N 1 0 313.445 3.004 10 0 DGAERO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246988739 432187953 /nfs/dbraw/zinc/18/79/53/432187953.db2.gz LHXQVSMEKIIJTO-HIFRSBDPSA-N 1 0 307.415 3.056 10 0 DGAERO O=C(C1CCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246990166 432188319 /nfs/dbraw/zinc/18/83/19/432188319.db2.gz KRTABDWJUQWZID-RTBURBONSA-N 1 0 312.457 3.300 10 0 DGAERO C[C@H]1OCC[C@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000149363733 432188703 /nfs/dbraw/zinc/18/87/03/432188703.db2.gz INKZQSKFRBKBDT-PWVHCVSASA-N 1 0 310.235 3.462 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000150738832 432188983 /nfs/dbraw/zinc/18/89/83/432188983.db2.gz FRYOZBBLKOTJHG-UONOGXRCSA-N 1 0 320.399 3.442 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCCN1Cc1nc2ccccc2s1 ZINC000171995082 432189724 /nfs/dbraw/zinc/18/97/24/432189724.db2.gz CUIZZXKCPVECPD-AWEZNQCLSA-N 1 0 317.458 3.129 10 0 DGAERO O=C1O[C@@H](C[N@@H+]2CCC[C@H]2c2ccco2)CN1c1ccccc1 ZINC000247016580 432191454 /nfs/dbraw/zinc/19/14/54/432191454.db2.gz UKEPMZOGUZHURG-HOTGVXAUSA-N 1 0 312.369 3.442 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](CCCOCc3ccccc3)C2)c1 ZINC000182356034 432182612 /nfs/dbraw/zinc/18/26/12/432182612.db2.gz VEDUEFIRPGZYJL-LJQANCHMSA-N 1 0 313.445 3.435 10 0 DGAERO c1cnn(CC2CC[NH+](CCCOCc3ccccc3)CC2)c1 ZINC000182352972 432183027 /nfs/dbraw/zinc/18/30/27/432183027.db2.gz HZDQXOYGIIRRPX-UHFFFAOYSA-N 1 0 313.445 3.202 10 0 DGAERO C[NH+](C)C[C@@H](NCc1nccn1-c1ccccc1)c1ccccc1 ZINC000190706817 432183139 /nfs/dbraw/zinc/18/31/39/432183139.db2.gz PSJCRYZVTBANOB-LJQANCHMSA-N 1 0 320.440 3.265 10 0 DGAERO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)C1CCCC1 ZINC000172168254 432199193 /nfs/dbraw/zinc/19/91/93/432199193.db2.gz MEGHMKKYDZXIEO-PXAZEXFGSA-N 1 0 304.409 3.314 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)NC(=O)Nc1ccccc1F ZINC000172168496 432199881 /nfs/dbraw/zinc/19/98/81/432199881.db2.gz HCVAMNRQQYENDJ-VXGBXAGGSA-N 1 0 321.396 3.031 10 0 DGAERO C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1F ZINC000247037486 432193431 /nfs/dbraw/zinc/19/34/31/432193431.db2.gz GMTSXMFLZUSVJH-ILXRZTDVSA-N 1 0 304.409 3.014 10 0 DGAERO C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1CCCC1 ZINC000172077043 432194911 /nfs/dbraw/zinc/19/49/11/432194911.db2.gz KUXGCHBPJMGZHS-CYBMUJFWSA-N 1 0 321.440 3.265 10 0 DGAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccsc1 ZINC000247052863 432195782 /nfs/dbraw/zinc/19/57/82/432195782.db2.gz NIKHCQNVTIJGKT-CRAIPNDOSA-N 1 0 315.486 3.186 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247042095 432196353 /nfs/dbraw/zinc/19/63/53/432196353.db2.gz IBZYYUBBJHYTOJ-NUJGCVRESA-N 1 0 302.462 3.334 10 0 DGAERO CN(C)C(=O)[C@H]([NH2+]CCCc1cccc(F)c1)c1ccccc1 ZINC000172089240 432196672 /nfs/dbraw/zinc/19/66/72/432196672.db2.gz HZWZNLBCQGZUMV-GOSISDBHSA-N 1 0 314.404 3.177 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)NC(=O)Nc1ccccc1F ZINC000172168491 432200314 /nfs/dbraw/zinc/20/03/14/432200314.db2.gz HCVAMNRQQYENDJ-NWDGAFQWSA-N 1 0 321.396 3.031 10 0 DGAERO O=C(c1ccoc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247085293 432200455 /nfs/dbraw/zinc/20/04/55/432200455.db2.gz RERCEUMIYDIXEH-PKOBYXMFSA-N 1 0 324.424 3.406 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000172168764 432200551 /nfs/dbraw/zinc/20/05/51/432200551.db2.gz NWDMTYWCCWXYIQ-STQMWFEESA-N 1 0 302.418 3.385 10 0 DGAERO CCc1onc(C)c1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000130722950 196103989 /nfs/dbraw/zinc/10/39/89/196103989.db2.gz HHBUBQKSUQFMQT-OKILXGFUSA-N 1 0 321.465 3.033 10 0 DGAERO CC1([NH2+]Cc2ccc(Br)c(F)c2)CCOCC1 ZINC000131173606 196147043 /nfs/dbraw/zinc/14/70/43/196147043.db2.gz RNLARMMORZBFHE-UHFFFAOYSA-N 1 0 302.187 3.247 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000182595288 432208281 /nfs/dbraw/zinc/20/82/81/432208281.db2.gz RFTZLPIGIUZSHU-BBWFWOEESA-N 1 0 300.450 3.027 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000151040708 432212247 /nfs/dbraw/zinc/21/22/47/432212247.db2.gz VFMCTKMAWQWVQR-OIISXLGYSA-N 1 0 321.461 3.049 10 0 DGAERO Brc1cccc2c1C[N@H+](CCc1ccncc1)CC2 ZINC000172405520 432212467 /nfs/dbraw/zinc/21/24/67/432212467.db2.gz GNPCLASBWXLYLJ-UHFFFAOYSA-N 1 0 317.230 3.445 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)ccc1OC ZINC000247225388 432212724 /nfs/dbraw/zinc/21/27/24/432212724.db2.gz WPCAFJNMXIUGBI-YUFWVBKYSA-N 1 0 319.445 3.450 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000247218103 432213090 /nfs/dbraw/zinc/21/30/90/432213090.db2.gz YHMBHGQZQJYXQI-IAGOWNOFSA-N 1 0 319.836 3.043 10 0 DGAERO CCn1c(C)nnc1CN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000172409573 432213541 /nfs/dbraw/zinc/21/35/41/432213541.db2.gz VVARVTQHZJVJGZ-SUMWQHHRSA-N 1 0 316.474 3.285 10 0 DGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000247232314 432213565 /nfs/dbraw/zinc/21/35/65/432213565.db2.gz OAVKRJRGOFGXHT-QAPCUYQASA-N 1 0 315.461 3.047 10 0 DGAERO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]CCC2=CCCC2)cc1 ZINC000182664152 432215387 /nfs/dbraw/zinc/21/53/87/432215387.db2.gz YZCIZZIPVUYCCD-CQSZACIVSA-N 1 0 303.402 3.217 10 0 DGAERO COC[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000191061116 432215619 /nfs/dbraw/zinc/21/56/19/432215619.db2.gz CJRWMQPTCZFIOR-PBHICJAKSA-N 1 0 313.388 3.183 10 0 DGAERO CC(C)[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1CCOCC1 ZINC000247126186 432204076 /nfs/dbraw/zinc/20/40/76/432204076.db2.gz WWKTZNFPQXWZBF-FUHWJXTLSA-N 1 0 322.493 3.057 10 0 DGAERO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247129382 432204885 /nfs/dbraw/zinc/20/48/85/432204885.db2.gz KGEBKLPIFKTQLJ-CHWSQXEVSA-N 1 0 306.360 3.030 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000247355328 432225235 /nfs/dbraw/zinc/22/52/35/432225235.db2.gz OGCPAXZILQCVOT-KFWWJZLASA-N 1 0 321.490 3.323 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCc1cccc(OC(F)(F)F)c1 ZINC000191139688 432225454 /nfs/dbraw/zinc/22/54/54/432225454.db2.gz CJIHJDXBWMEDAO-VXGBXAGGSA-N 1 0 317.351 3.361 10 0 DGAERO CCCc1ncc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000172703430 432228586 /nfs/dbraw/zinc/22/85/86/432228586.db2.gz LALNBSFHNASUBT-AWEZNQCLSA-N 1 0 317.458 3.128 10 0 DGAERO C[C@H](NC(=O)NCCC1=CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182767834 432226867 /nfs/dbraw/zinc/22/68/67/432226867.db2.gz WBNUGRUHDZODTD-DOTOQJQBSA-N 1 0 319.493 3.439 10 0 DGAERO Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247398655 432227471 /nfs/dbraw/zinc/22/74/71/432227471.db2.gz MMEYBCFRKNHPJZ-GXTWGEPZSA-N 1 0 300.402 3.296 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2SC)[C@@H](C)C1 ZINC000247405579 432227525 /nfs/dbraw/zinc/22/75/25/432227525.db2.gz MWUAFCZVMZNNTJ-RYUDHWBXSA-N 1 0 312.504 3.272 10 0 DGAERO C[C@@H](C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000247255702 432216509 /nfs/dbraw/zinc/21/65/09/432216509.db2.gz YCJFIQAOCFUXIX-WMZOPIPTSA-N 1 0 310.445 3.181 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000247286801 432218643 /nfs/dbraw/zinc/21/86/43/432218643.db2.gz KPTVLQSPZDUQER-IINYFYTJSA-N 1 0 315.244 3.452 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cncc(-c3ccccc3)c2)[C@@H](C)C1 ZINC000151105041 432219569 /nfs/dbraw/zinc/21/95/69/432219569.db2.gz YCHKVAFGNHCVRH-KXBFYZLASA-N 1 0 323.440 3.207 10 0 DGAERO CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1cccs1 ZINC000151108523 432219622 /nfs/dbraw/zinc/21/96/22/432219622.db2.gz YQDCRGDVJMGHBE-CQSZACIVSA-N 1 0 302.443 3.275 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247297697 432220091 /nfs/dbraw/zinc/22/00/91/432220091.db2.gz OLMUMIHQVRIDOG-CVEARBPZSA-N 1 0 324.509 3.399 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000247291764 432220494 /nfs/dbraw/zinc/22/04/94/432220494.db2.gz GLDIBDDRNGFXHU-NXHRZFHOSA-N 1 0 314.473 3.438 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000182715437 432220509 /nfs/dbraw/zinc/22/05/09/432220509.db2.gz GOPMWYXETZGYON-LJQANCHMSA-N 1 0 311.425 3.395 10 0 DGAERO CCc1ccc(C[NH+]2CCN(CCc3cccnc3)CC2)s1 ZINC000172572719 432220994 /nfs/dbraw/zinc/22/09/94/432220994.db2.gz ITYBRVAHVFBDEW-UHFFFAOYSA-N 1 0 315.486 3.066 10 0 DGAERO CC(C)COC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000172616986 432224442 /nfs/dbraw/zinc/22/44/42/432224442.db2.gz YWWUIAJIIOQTAK-UHFFFAOYSA-N 1 0 318.461 3.025 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)CO)cc1Br ZINC000131698727 196191819 /nfs/dbraw/zinc/19/18/19/196191819.db2.gz LZMKDSHFBBXUBH-VWYCJHECSA-N 1 0 316.239 3.125 10 0 DGAERO C[NH+](C)C1CCN(Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000132117900 196227745 /nfs/dbraw/zinc/22/77/45/196227745.db2.gz FYFZZJBKYIGCCD-UHFFFAOYSA-N 1 0 321.371 3.146 10 0 DGAERO CCc1ccc(C[NH2+]C[C@@H]2CCN(c3cccc(OC)c3)C2)o1 ZINC000132162886 196231226 /nfs/dbraw/zinc/23/12/26/196231226.db2.gz YDMSTTKWEUPUGT-HNNXBMFYSA-N 1 0 314.429 3.467 10 0 DGAERO CCOC(=O)CCCC[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000132689455 196276000 /nfs/dbraw/zinc/27/60/00/196276000.db2.gz OWMJKHXCGUEPQR-UHFFFAOYSA-N 1 0 310.463 3.364 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](C)Cc3ccccc3)[C@H]2C1 ZINC000132759828 196281820 /nfs/dbraw/zinc/28/18/20/196281820.db2.gz XUEKMJVFIODBHE-NQYYFHDYSA-N 1 0 303.446 3.134 10 0 DGAERO Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H](Cn3cncn3)C1)CCC2 ZINC000132880162 196292329 /nfs/dbraw/zinc/29/23/29/196292329.db2.gz SNGSRSGJALQSRR-KBXCAEBGSA-N 1 0 314.408 3.207 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC(C)(C)C)C1 ZINC000246347824 287274303 /nfs/dbraw/zinc/27/43/03/287274303.db2.gz JOABNKBJSNFOHT-HZPDHXFCSA-N 1 0 309.498 3.329 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000134369893 196382466 /nfs/dbraw/zinc/38/24/66/196382466.db2.gz QXSXUAZYPSKKEZ-INIZCTEOSA-N 1 0 320.477 3.089 10 0 DGAERO C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@H](CO)C(C)(C)C ZINC000134435385 196390977 /nfs/dbraw/zinc/39/09/77/196390977.db2.gz PBDQPIYIDOZYAF-OAHLLOKOSA-N 1 0 306.381 3.320 10 0 DGAERO Cc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1Cl ZINC000134498172 196396770 /nfs/dbraw/zinc/39/67/70/196396770.db2.gz RGBYQWGSTHMCSQ-UHFFFAOYSA-N 1 0 300.789 3.182 10 0 DGAERO CC[C@@H]1C[C@@H](CN2CC[NH2+]C[C@H]2c2ccccc2Cl)CCO1 ZINC000261702907 287282690 /nfs/dbraw/zinc/28/26/90/287282690.db2.gz LRQNOPJURHIDNR-DAYGRLMNSA-N 1 0 322.880 3.492 10 0 DGAERO c1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCCC3)C1)OCCO2 ZINC000136689626 196547658 /nfs/dbraw/zinc/54/76/58/196547658.db2.gz AQBZLXMMDLGTMQ-OAHLLOKOSA-N 1 0 303.402 3.039 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)ccc1F ZINC000152571145 227073121 /nfs/dbraw/zinc/07/31/21/227073121.db2.gz IWDGJFFUVQPSRS-DOMZBBRYSA-N 1 0 306.381 3.381 10 0 DGAERO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000291363653 222341749 /nfs/dbraw/zinc/34/17/49/222341749.db2.gz YPNPZQDPJGBDAI-IBGZPJMESA-N 1 0 314.404 3.038 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000291467111 222409241 /nfs/dbraw/zinc/40/92/41/222409241.db2.gz DMKDISRPZFVVEI-GOSISDBHSA-N 1 0 316.489 3.375 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2F)cc1F ZINC000176127387 228309839 /nfs/dbraw/zinc/30/98/39/228309839.db2.gz WSUDMTSMZGUIBI-UKRRQHHQSA-N 1 0 321.367 3.364 10 0 DGAERO C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000176339818 228311915 /nfs/dbraw/zinc/31/19/15/228311915.db2.gz QWINNVOSCMUMPU-SNVBAGLBSA-N 1 0 300.855 3.058 10 0 DGAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCSC(C)(C)C1 ZINC000177520660 228330930 /nfs/dbraw/zinc/33/09/30/228330930.db2.gz YLVRWVJHAUPUFR-UONOGXRCSA-N 1 0 306.475 3.080 10 0 DGAERO Cc1ccc(NC(=O)[C@@H](C)N2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000178707804 228345331 /nfs/dbraw/zinc/34/53/31/228345331.db2.gz WBQFXTNTZGMTCQ-CYBMUJFWSA-N 1 0 323.868 3.001 10 0 DGAERO O=C1NCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCCCC1 ZINC000179066053 228349300 /nfs/dbraw/zinc/34/93/00/228349300.db2.gz SKBFCWDRAYVVEO-HNNXBMFYSA-N 1 0 306.837 3.020 10 0 DGAERO O=C1NCC[C@H]1[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000179049676 228349663 /nfs/dbraw/zinc/34/96/63/228349663.db2.gz UHGCCGDYVHJYIE-HZPDHXFCSA-N 1 0 306.837 3.440 10 0 DGAERO Cc1nc2c(n1[C@H]1CC[N@H+](CC3(O)CCCCC3)C1)CCCC2 ZINC000299744098 229381807 /nfs/dbraw/zinc/38/18/07/229381807.db2.gz QWNNBLMFWXAMGM-INIZCTEOSA-N 1 0 317.477 3.012 10 0 DGAERO CCc1noc(C)c1C[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000299744746 229383967 /nfs/dbraw/zinc/38/39/67/229383967.db2.gz PPTKHLCNEJXBFL-AWEZNQCLSA-N 1 0 314.433 3.068 10 0 DGAERO Cc1cc(NCC2CCN(C(=O)c3ccccc3)CC2)cc[nH+]1 ZINC000302594675 230312719 /nfs/dbraw/zinc/31/27/19/230312719.db2.gz XCDJNNFVBQFPOK-UHFFFAOYSA-N 1 0 309.413 3.354 10 0 DGAERO COCCC[NH+]1CCC(Nc2ncc(C(F)(F)F)s2)CC1 ZINC000302659459 230335429 /nfs/dbraw/zinc/33/54/29/230335429.db2.gz AVULTDOEFCXQFR-UHFFFAOYSA-N 1 0 323.384 3.075 10 0 DGAERO Cc1nc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(C)s1 ZINC000179201292 263552271 /nfs/dbraw/zinc/55/22/71/263552271.db2.gz HPPBMBIPYXCJPA-MEDUHNTESA-N 1 0 309.479 3.000 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCc2cc(C)cc(C)c2)C12CCOCC2 ZINC000186353499 263655997 /nfs/dbraw/zinc/65/59/97/263655997.db2.gz YOPHLHMXMVJWMX-OALUTQOASA-N 1 0 317.473 3.410 10 0 DGAERO O=C(c1csc(Cl)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000189133514 263709992 /nfs/dbraw/zinc/70/99/92/263709992.db2.gz NUMPMWLMICDKGE-UHFFFAOYSA-N 1 0 312.866 3.350 10 0 DGAERO CCCn1c(C[NH2+]C[C@@H]2CCC(C)(C)O2)nc2ccccc21 ZINC000189733748 263725083 /nfs/dbraw/zinc/72/50/83/263725083.db2.gz HGIRYIIPFVIDNQ-AWEZNQCLSA-N 1 0 301.434 3.494 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000347001589 264137240 /nfs/dbraw/zinc/13/72/40/264137240.db2.gz ASHMDZDTRZFIKN-LJQANCHMSA-N 1 0 312.413 3.314 10 0 DGAERO c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@H](OCc3ccncc3)C1)C2 ZINC000347113846 264159256 /nfs/dbraw/zinc/15/92/56/264159256.db2.gz ULKBGABJWNHFSC-RXVVDRJESA-N 1 0 322.452 3.478 10 0 DGAERO c1ccc(COCCC[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000347437258 264221221 /nfs/dbraw/zinc/22/12/21/264221221.db2.gz LDRNZQGDFJJMMU-IBGZPJMESA-N 1 0 303.446 3.486 10 0 DGAERO c1c(C[N@@H+]2CCC[C@H]2C2CCOCC2)[nH]nc1-c1ccccc1 ZINC000347669840 264264729 /nfs/dbraw/zinc/26/47/29/264264729.db2.gz JALNEMYWSKVRIS-IBGZPJMESA-N 1 0 311.429 3.468 10 0 DGAERO C[N@@H+](Cc1cscc1Br)C[C@H]1CCCC[C@H]1O ZINC000348124969 264346355 /nfs/dbraw/zinc/34/63/55/264346355.db2.gz XJCVLAREZQLZJD-ZWNOBZJWSA-N 1 0 318.280 3.494 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc3ccccc32)[C@@H](C)C1 ZINC000247426833 432228818 /nfs/dbraw/zinc/22/88/18/432228818.db2.gz OJSXNLBVFCMFEG-KBXCAEBGSA-N 1 0 311.429 3.037 10 0 DGAERO c1cc(C2CCC2)ccc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000352376988 265023998 /nfs/dbraw/zinc/02/39/98/265023998.db2.gz VQQAVALOKDTELY-IBGZPJMESA-N 1 0 301.430 3.336 10 0 DGAERO Brc1cnccc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000352830709 265185825 /nfs/dbraw/zinc/18/58/25/265185825.db2.gz WOXJDDKRYAAVRT-ZDUSSCGKSA-N 1 0 324.266 3.299 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000352880836 265213324 /nfs/dbraw/zinc/21/33/24/265213324.db2.gz ILBPXMOMDXOXCB-ZDUSSCGKSA-N 1 0 304.203 3.085 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1cc(F)ccc1Br ZINC000352911376 265226590 /nfs/dbraw/zinc/22/65/90/265226590.db2.gz LQFZUGWRXHSKDT-CYBMUJFWSA-N 1 0 304.203 3.085 10 0 DGAERO c1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)OCCO2 ZINC000353280620 265373620 /nfs/dbraw/zinc/37/36/20/265373620.db2.gz VYVMVDFCTRJHLV-YESZJQIVSA-N 1 0 317.429 3.143 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@H]1CCCc2ccccc21 ZINC000247455465 432231561 /nfs/dbraw/zinc/23/15/61/432231561.db2.gz QPBZVEZYANIHJO-SZVBFZGTSA-N 1 0 314.473 3.295 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ncsc3c2)[C@@H](C)C1 ZINC000247466701 432231230 /nfs/dbraw/zinc/23/12/30/432231230.db2.gz RNUNUBFTLQDOLW-SWLSCSKDSA-N 1 0 317.458 3.099 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000247452389 432231254 /nfs/dbraw/zinc/23/12/54/432231254.db2.gz SVJXWNWLFQYKJN-BPQIPLTHSA-N 1 0 306.494 3.297 10 0 DGAERO c1c(C2CCC2)nn2ccnc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c12 ZINC000631067356 424829760 /nfs/dbraw/zinc/82/97/60/424829760.db2.gz YWTPXGHCYSCAIR-GJZGRUSLSA-N 1 0 311.433 3.036 10 0 DGAERO c1c(C2CC2)nn2ccnc(NC[C@H]3CCCC[N@@H+]3C3CC3)c12 ZINC000631249591 424832340 /nfs/dbraw/zinc/83/23/40/424832340.db2.gz UEYDAIVTQDPFBX-OAHLLOKOSA-N 1 0 311.433 3.036 10 0 DGAERO c1ccc2c(c1)nc(CN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)n2C1CC1 ZINC000355503444 266095965 /nfs/dbraw/zinc/09/59/65/266095965.db2.gz AYPYUKQOBFYXNY-ZBFHGGJFSA-N 1 0 310.445 3.088 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000191181321 432232892 /nfs/dbraw/zinc/23/28/92/432232892.db2.gz QCGHTNXPROXAKA-ZIAGYGMSSA-N 1 0 319.445 3.376 10 0 DGAERO CO[C@H](C)C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000191208626 432234562 /nfs/dbraw/zinc/23/45/62/432234562.db2.gz QEEDCRMEIYXTGB-CYBMUJFWSA-N 1 0 320.433 3.109 10 0 DGAERO Cc1c([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cnn1C(C)C ZINC000191204652 432234187 /nfs/dbraw/zinc/23/41/87/432234187.db2.gz JNUUHQHLRYWZNO-LBPRGKRZSA-N 1 0 305.397 3.255 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCCC3)[C@@H](C)C1 ZINC000247524517 432237104 /nfs/dbraw/zinc/23/71/04/432237104.db2.gz WRABJKXYFAPBHD-HNAYVOBHSA-N 1 0 314.473 3.368 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C(F)F)c2)[C@@H](C)C1 ZINC000247515994 432237832 /nfs/dbraw/zinc/23/78/32/432237832.db2.gz WBLSFABNWPHNIY-WFASDCNBSA-N 1 0 310.388 3.427 10 0 DGAERO C[C@@H]1CCc2c(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)csc2C1 ZINC000247521641 432238239 /nfs/dbraw/zinc/23/82/39/432238239.db2.gz WLPFYPXDRIMATG-RDBSUJKOSA-N 1 0 320.502 3.428 10 0 DGAERO CC[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000151334362 432238299 /nfs/dbraw/zinc/23/82/99/432238299.db2.gz VDHJQDNQDPZONB-STQMWFEESA-N 1 0 316.898 3.289 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000247542840 432240294 /nfs/dbraw/zinc/24/02/94/432240294.db2.gz YOLTVYNOUWSNOG-BBRMVZONSA-N 1 0 315.392 3.149 10 0 DGAERO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247563346 432240889 /nfs/dbraw/zinc/24/08/89/432240889.db2.gz VCRBRILXXWQEAF-CVEARBPZSA-N 1 0 301.386 3.165 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nccc3ccccc32)[C@@H](C)C1 ZINC000247559292 432240996 /nfs/dbraw/zinc/24/09/96/432240996.db2.gz ZKZXOHUISKPOKL-WMLDXEAASA-N 1 0 311.429 3.037 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C(C)C)C[C@@H](C)O1 ZINC000247599924 432242473 /nfs/dbraw/zinc/24/24/73/432242473.db2.gz UFUPCLGLSGAITH-IXDOHACOSA-N 1 0 321.461 3.049 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C(C)C)C[C@H](C)O1 ZINC000247599917 432243544 /nfs/dbraw/zinc/24/35/44/432243544.db2.gz UFUPCLGLSGAITH-GVDBMIGSSA-N 1 0 321.461 3.049 10 0 DGAERO Cc1cc(C)n(-c2ccc(C[NH+]3[C@H](C)CC(O)C[C@H]3C)cc2)n1 ZINC000191283054 432244305 /nfs/dbraw/zinc/24/43/05/432244305.db2.gz GOBMCBMHNBLXFL-HUUCEWRRSA-N 1 0 313.445 3.223 10 0 DGAERO C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000247674512 432245541 /nfs/dbraw/zinc/24/55/41/432245541.db2.gz YYCSZQZLKXCHFQ-RBSFLKMASA-N 1 0 302.418 3.028 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(F)ccc1F ZINC000151485139 432250035 /nfs/dbraw/zinc/25/00/35/432250035.db2.gz LPQSIQPCLRIIIB-LBPRGKRZSA-N 1 0 314.339 3.396 10 0 DGAERO c1csc([C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)N2CCCC2)c1 ZINC000367620683 271054728 /nfs/dbraw/zinc/05/47/28/271054728.db2.gz QSLMINPXMNFXNY-HOCLYGCPSA-N 1 0 316.474 3.275 10 0 DGAERO COc1ccc(CN2CC=C(c3cccc(OC)c3)CC2)nc1 ZINC000367695298 271065498 /nfs/dbraw/zinc/06/54/98/271065498.db2.gz DSHKKMFICSSLBS-UHFFFAOYSA-N 1 0 310.397 3.388 10 0 DGAERO Cc1ncccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368058312 271126620 /nfs/dbraw/zinc/12/66/20/271126620.db2.gz HKKCWHIQBTUOKM-XLIONFOSSA-N 1 0 309.457 3.390 10 0 DGAERO Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368058310 271127258 /nfs/dbraw/zinc/12/72/58/271127258.db2.gz HKKCWHIQBTUOKM-FXAWDEMLSA-N 1 0 309.457 3.390 10 0 DGAERO C[C@@H](NC(=O)N1CCCC12CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000369357534 271266738 /nfs/dbraw/zinc/26/67/38/271266738.db2.gz HZACESHVTRUQPB-HZPDHXFCSA-N 1 0 319.493 3.368 10 0 DGAERO C[C@H](NC(=O)N1CCCC12CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000369357535 271266949 /nfs/dbraw/zinc/26/69/49/271266949.db2.gz HZACESHVTRUQPB-JKSUJKDBSA-N 1 0 319.493 3.368 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000371852787 271480068 /nfs/dbraw/zinc/48/00/68/271480068.db2.gz KAWKEFGEKKGJMO-OKACTXMXSA-N 1 0 316.420 3.173 10 0 DGAERO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247815890 432251121 /nfs/dbraw/zinc/25/11/21/432251121.db2.gz WFKGBCNOXUTRGM-UONOGXRCSA-N 1 0 304.825 3.405 10 0 DGAERO COc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)cc1 ZINC000151533023 432253470 /nfs/dbraw/zinc/25/34/70/432253470.db2.gz SUIMOSLQVFNMAG-AWEZNQCLSA-N 1 0 308.385 3.127 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1ccnc1)CC2 ZINC000151525031 432254543 /nfs/dbraw/zinc/25/45/43/432254543.db2.gz ACOYUQIWMQWZQJ-GOSISDBHSA-N 1 0 304.397 3.353 10 0 DGAERO COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000183061124 432254674 /nfs/dbraw/zinc/25/46/74/432254674.db2.gz YHIDNANPBACVKI-GOSISDBHSA-N 1 0 324.424 3.073 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c(F)cccc3Cl)CC[C@H]21 ZINC000247931336 432254726 /nfs/dbraw/zinc/25/47/26/432254726.db2.gz CBRGGRGFRWYLDE-SMDDNHRTSA-N 1 0 310.800 3.035 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2F)[C@H]1c1ccccc1 ZINC000247919911 432255032 /nfs/dbraw/zinc/25/50/32/432255032.db2.gz BPMZBOGYWTWFOH-DLBZAZTESA-N 1 0 316.351 3.140 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C(C)C)C(C)C)cc1 ZINC000183064785 432255109 /nfs/dbraw/zinc/25/51/09/432255109.db2.gz OUJUBJXDQGTMQO-SFHVURJKSA-N 1 0 318.461 3.478 10 0 DGAERO CC(C)N(C)c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000191387964 432258123 /nfs/dbraw/zinc/25/81/23/432258123.db2.gz SCPUZBPGRAWPJJ-IEBWSBKVSA-N 1 0 317.477 3.053 10 0 DGAERO COCCC[C@@H](C)[NH2+][C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189455144 274022176 /nfs/dbraw/zinc/02/21/76/274022176.db2.gz ODRIJTGYWRVHMX-IAGOWNOFSA-N 1 0 318.461 3.122 10 0 DGAERO COCC[C@@H](C)[NH2+]C[C@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000247169102 274039115 /nfs/dbraw/zinc/03/91/15/274039115.db2.gz YJVHHGLXDMHQDC-HUUCEWRRSA-N 1 0 310.869 3.489 10 0 DGAERO COc1c(C[N@@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)c(C)nn1C ZINC000093563006 274089674 /nfs/dbraw/zinc/08/96/74/274089674.db2.gz YUKHYJSFQFSJQF-GOEBONIOSA-N 1 0 313.445 3.424 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000452722534 274314947 /nfs/dbraw/zinc/31/49/47/274314947.db2.gz KIHCILUIAXEREO-TXEJJXNPSA-N 1 0 324.827 3.237 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)cn1 ZINC000191381795 432258976 /nfs/dbraw/zinc/25/89/76/432258976.db2.gz PNOMPUFCTTWGOZ-QGZVFWFLSA-N 1 0 311.429 3.198 10 0 DGAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000247978959 432259556 /nfs/dbraw/zinc/25/95/56/432259556.db2.gz LZFBFKGAITYXIJ-JTDSTZFVSA-N 1 0 312.461 3.252 10 0 DGAERO O=C(Nc1cccc2c1C[NH2+]CC2)c1cc(Cl)c(Cl)[nH]1 ZINC000167375866 274999296 /nfs/dbraw/zinc/99/92/96/274999296.db2.gz WFRBBPFEQDUDMN-UHFFFAOYSA-N 1 0 310.184 3.220 10 0 DGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000248008810 275055757 /nfs/dbraw/zinc/05/57/57/275055757.db2.gz LARCNBFDDBVYPI-JENIJYKNSA-N 1 0 313.372 3.287 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCCC[C@H]1n1cccn1)c1ccccc1Cl ZINC000251502993 275058093 /nfs/dbraw/zinc/05/80/93/275058093.db2.gz FQPTVMLUSDDBCL-GVDBMIGSSA-N 1 0 319.836 3.343 10 0 DGAERO c1ccc([C@@H]2C[C@@H]2[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000291067408 275068293 /nfs/dbraw/zinc/06/82/93/275068293.db2.gz DQUBRLRZWPVZNT-BZSNNMDCSA-N 1 0 318.424 3.465 10 0 DGAERO c1cnc(N2CCC[C@H]([NH2+][C@H]3CCCc4ccccc43)C2)nc1 ZINC000192813104 275073609 /nfs/dbraw/zinc/07/36/09/275073609.db2.gz HJWRGRFPPZKNFV-WMZOPIPTSA-N 1 0 308.429 3.113 10 0 DGAERO Brc1cc2c(s1)CC[C@@H]2N[C@H]1CCCC[NH2+]C1 ZINC000423571519 275368249 /nfs/dbraw/zinc/36/82/49/275368249.db2.gz XQNGHLANPLEKGY-ONGXEEELSA-N 1 0 315.280 3.230 10 0 DGAERO Brc1cccc2c1C[C@@H]([NH2+]CC1=CCOCC1)CC2 ZINC000449400188 275374578 /nfs/dbraw/zinc/37/45/78/275374578.db2.gz AKNPMKRNOCGQPS-AWEZNQCLSA-N 1 0 322.246 3.243 10 0 DGAERO Cc1nscc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000183104680 432260565 /nfs/dbraw/zinc/26/05/65/432260565.db2.gz PJALUWNWLLXOLN-UHFFFAOYSA-N 1 0 301.415 3.300 10 0 DGAERO CC(C)c1scnc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333377557 275779940 /nfs/dbraw/zinc/77/99/40/275779940.db2.gz VUJYPAORGZUMHI-ZDUSSCGKSA-N 1 0 322.478 3.120 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000182595326 275912627 /nfs/dbraw/zinc/91/26/27/275912627.db2.gz RFTZLPIGIUZSHU-GVDBMIGSSA-N 1 0 300.450 3.027 10 0 DGAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000089158235 276035875 /nfs/dbraw/zinc/03/58/75/276035875.db2.gz IWJJNIOJBLHOGB-CRAIPNDOSA-N 1 0 324.509 3.064 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3cc(F)ccc31)CC2 ZINC000180651936 276066879 /nfs/dbraw/zinc/06/68/79/276066879.db2.gz VSUPLPSJHTZVOX-GOEBONIOSA-N 1 0 314.408 3.133 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000245742034 276134660 /nfs/dbraw/zinc/13/46/60/276134660.db2.gz FDPCYCFUFNWJRD-ZNMIVQPWSA-N 1 0 323.506 3.091 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc2ccc(C)nc21 ZINC000177003826 276181854 /nfs/dbraw/zinc/18/18/54/276181854.db2.gz UDOAUUOZXCWWMK-INIZCTEOSA-N 1 0 311.429 3.100 10 0 DGAERO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2(OC)CCOCC2)C1 ZINC000453128579 276398578 /nfs/dbraw/zinc/39/85/78/276398578.db2.gz JMAUDJIYHIMTRI-SOUVJXGZSA-N 1 0 301.496 3.224 10 0 DGAERO CC[C@H](COC)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000079733516 276572276 /nfs/dbraw/zinc/57/22/76/276572276.db2.gz LYXDRQAMCBICQR-YPMHNXCESA-N 1 0 314.223 3.287 10 0 DGAERO CC(=O)c1nc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)sc1C ZINC000528119950 429850665 /nfs/dbraw/zinc/85/06/65/429850665.db2.gz YENZIDNBXOFBAF-AWEZNQCLSA-N 1 0 307.463 3.473 10 0 DGAERO C[NH+](C)CC1(C(=O)N[C@H]2CCc3ccccc32)CCCCC1 ZINC000460287562 276779064 /nfs/dbraw/zinc/77/90/64/276779064.db2.gz ZJIAYLYYDYXAOT-KRWDZBQOSA-N 1 0 300.446 3.302 10 0 DGAERO C[NH+]1CCC(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000179724968 277025124 /nfs/dbraw/zinc/02/51/24/277025124.db2.gz AZNHLIWUANRFGA-HNNXBMFYSA-N 1 0 322.836 3.012 10 0 DGAERO CN1CCN([C@H]2CCCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC000186853316 277111654 /nfs/dbraw/zinc/11/16/54/277111654.db2.gz VCINKHUIEVSYAA-IBGZPJMESA-N 1 0 307.526 3.059 10 0 DGAERO CN1CC[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c2ccccc21 ZINC000194143511 277134866 /nfs/dbraw/zinc/13/48/66/277134866.db2.gz ZCVIXNRVYBKPEN-RGIVZKHGSA-N 1 0 312.457 3.157 10 0 DGAERO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000097489675 277377636 /nfs/dbraw/zinc/37/76/36/277377636.db2.gz YXRDUQBLRAMMIU-LBPRGKRZSA-N 1 0 320.399 3.296 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116532647 277435570 /nfs/dbraw/zinc/43/55/70/277435570.db2.gz BXOXPBHBZXANNW-GJZGRUSLSA-N 1 0 307.438 3.102 10 0 DGAERO CC[NH+]1CCC(CCNc2ncnc3cccc(OC)c32)CC1 ZINC000543974906 430268077 /nfs/dbraw/zinc/26/80/77/430268077.db2.gz DRFIXLCIPYWHKS-UHFFFAOYSA-N 1 0 314.433 3.172 10 0 DGAERO C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000172703451 277553220 /nfs/dbraw/zinc/55/32/20/277553220.db2.gz UBOYYCIKALWXPZ-KDOFPFPSSA-N 1 0 314.404 3.348 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC12CCCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000189089623 277632370 /nfs/dbraw/zinc/63/23/70/277632370.db2.gz ZJNYWGJRKFBOSD-CJNGLKHVSA-N 1 0 307.459 3.464 10 0 DGAERO C[C@@H]1CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)[C@@H](C[NH3+])C1 ZINC000261637400 277747881 /nfs/dbraw/zinc/74/78/81/277747881.db2.gz ANAQFSGLCKCIDS-RDTXWAMCSA-N 1 0 320.436 3.457 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000294573246 278056592 /nfs/dbraw/zinc/05/65/92/278056592.db2.gz CANHMFJORJYXKV-HGNGGELXSA-N 1 0 302.237 3.265 10 0 DGAERO CSC1(C[NH2+][C@H]2CCOC3(CCSCC3)C2)CCC1 ZINC000235168495 278126470 /nfs/dbraw/zinc/12/64/70/278126470.db2.gz SLHFHWYDJZUGEI-ZDUSSCGKSA-N 1 0 301.521 3.307 10 0 DGAERO CC(=O)[C@](C)(O)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459729395 278238633 /nfs/dbraw/zinc/23/86/33/278238633.db2.gz AOLACZXJPVOIAN-ZWKOTPCHSA-N 1 0 301.430 3.334 10 0 DGAERO C[C@H]([NH2+]CCCn1ccnn1)c1cc(Cl)sc1Cl ZINC000184267264 278258989 /nfs/dbraw/zinc/25/89/89/278258989.db2.gz PPWSNAMSBSYYPO-QMMMGPOBSA-N 1 0 305.234 3.387 10 0 DGAERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(Br)cc1 ZINC000190673232 278340249 /nfs/dbraw/zinc/34/02/49/278340249.db2.gz WBTMAYBWZGCVOV-LLVKDONJSA-N 1 0 314.223 3.253 10 0 DGAERO CC(C)(C)N1C[C@@H](c2ccccc2Cl)C2(CC[NH2+]CC2)C1=O ZINC000216087655 278352531 /nfs/dbraw/zinc/35/25/31/278352531.db2.gz NCEUNCYPXRQQJZ-AWEZNQCLSA-N 1 0 320.864 3.434 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000155942268 278442382 /nfs/dbraw/zinc/44/23/82/278442382.db2.gz CUJXGPUSHKIXFO-GDBMZVCRSA-N 1 0 302.466 3.250 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)NCCCc2cccc(F)c2)cc1 ZINC000068178972 431114739 /nfs/dbraw/zinc/11/47/39/431114739.db2.gz ONNUOEJIMZUNFV-UHFFFAOYSA-N 1 0 314.404 3.250 10 0 DGAERO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457780610 279077158 /nfs/dbraw/zinc/07/71/58/279077158.db2.gz WYOYHDZOAWCCSA-RISCZKNCSA-N 1 0 318.383 3.050 10 0 DGAERO CSCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000068528514 431132384 /nfs/dbraw/zinc/13/23/84/431132384.db2.gz VJDGSFPRPIBWNG-UHFFFAOYSA-N 1 0 306.475 3.042 10 0 DGAERO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000465771285 279129244 /nfs/dbraw/zinc/12/92/44/279129244.db2.gz NKPVCBVKFPGDQJ-HRCADAONSA-N 1 0 321.465 3.493 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000078810563 279144782 /nfs/dbraw/zinc/14/47/82/279144782.db2.gz APLQLAKRVHNSIH-ZDUSSCGKSA-N 1 0 317.433 3.057 10 0 DGAERO C[C@@](O)(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)c1ccccc1 ZINC000248735203 279150595 /nfs/dbraw/zinc/15/05/95/279150595.db2.gz QQNBRCHMJCTQCK-UXHICEINSA-N 1 0 309.409 3.026 10 0 DGAERO Fc1cccc(F)c1-c1csc(=[N+]2CCSCC2)s1 ZINC000000163048 431136818 /nfs/dbraw/zinc/13/68/18/431136818.db2.gz FGXBGOBNKOSVQM-UHFFFAOYSA-N 1 0 316.443 3.274 10 0 DGAERO C[C@H](CC1CCCCC1)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000194252171 279251984 /nfs/dbraw/zinc/25/19/84/279251984.db2.gz DVAPRDHRBNOCRL-KGLIPLIRSA-N 1 0 324.490 3.344 10 0 DGAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(Cl)cn1 ZINC000185704503 279305109 /nfs/dbraw/zinc/30/51/09/279305109.db2.gz PTFSUEYVCHMIOB-GFCCVEGCSA-N 1 0 310.829 3.121 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449017105 279309927 /nfs/dbraw/zinc/30/99/27/279309927.db2.gz GYBSYEDYIDUNDW-HUUCEWRRSA-N 1 0 309.475 3.316 10 0 DGAERO C[C@H](CNC(=O)c1ccc2nc(Cl)ccc2c1)[N@H+](C)C1CC1 ZINC000069533935 279345545 /nfs/dbraw/zinc/34/55/45/279345545.db2.gz RGOWNEIJQLIHAF-LLVKDONJSA-N 1 0 317.820 3.101 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000111229465 431201102 /nfs/dbraw/zinc/20/11/02/431201102.db2.gz SVXYWSQYJYJNTC-KRWDZBQOSA-N 1 0 311.429 3.218 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000069142846 431164545 /nfs/dbraw/zinc/16/45/45/431164545.db2.gz CWSUWYOFQWVYAR-CXAGYDPISA-N 1 0 303.427 3.068 10 0 DGAERO CC(C)[NH+](CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000109079041 431169972 /nfs/dbraw/zinc/16/99/72/431169972.db2.gz VGVMGCIKPPTIDM-HUUCEWRRSA-N 1 0 324.415 3.303 10 0 DGAERO CCc1cccc2c(CC(=O)NCC[N@@H+](C)[C@H](C)CC)c[nH]c21 ZINC000109270378 431176055 /nfs/dbraw/zinc/17/60/55/431176055.db2.gz GTOPSZAMMIISJG-CQSZACIVSA-N 1 0 315.461 3.119 10 0 DGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C(C)C)c1 ZINC000110086992 431182687 /nfs/dbraw/zinc/18/26/87/431182687.db2.gz ZFHGOZZFTZAGPV-KRWDZBQOSA-N 1 0 319.449 3.042 10 0 DGAERO c1cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc2c1OCC2 ZINC000111232192 431200554 /nfs/dbraw/zinc/20/05/54/431200554.db2.gz JOGIHMIJRQEMOJ-GOSISDBHSA-N 1 0 300.446 3.072 10 0 DGAERO C[C@@H](O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000111287809 431207649 /nfs/dbraw/zinc/20/76/49/431207649.db2.gz FMPQTFHFVYBFPI-GFCCVEGCSA-N 1 0 317.351 3.221 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000069683350 431211982 /nfs/dbraw/zinc/21/19/82/431211982.db2.gz TZIUWNRPGKVCMW-GOSISDBHSA-N 1 0 324.424 3.001 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000069683097 431213755 /nfs/dbraw/zinc/21/37/55/431213755.db2.gz KKAATILKFMCVJI-CQSZACIVSA-N 1 0 317.351 3.281 10 0 DGAERO CC(C)Oc1ccc(C(=O)OC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000001706421 431234805 /nfs/dbraw/zinc/23/48/05/431234805.db2.gz WDOAGDGQYMRCHI-HNNXBMFYSA-N 1 0 305.418 3.363 10 0 DGAERO Cc1cc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])ccc1F ZINC000071790684 431288061 /nfs/dbraw/zinc/28/80/61/431288061.db2.gz ICOLWTXKPZRXGW-HIFRSBDPSA-N 1 0 308.397 3.186 10 0 DGAERO COC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000112986298 431319915 /nfs/dbraw/zinc/31/99/15/431319915.db2.gz JRSKPEWWGTXFFF-ZDUSSCGKSA-N 1 0 304.365 3.339 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1coc2ccccc12)c1ccccc1 ZINC000113018015 431322516 /nfs/dbraw/zinc/32/25/16/431322516.db2.gz FCRJIZSIZLHYKJ-QGZVFWFLSA-N 1 0 308.381 3.466 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000073503260 431371668 /nfs/dbraw/zinc/37/16/68/431371668.db2.gz WXJMXPRKIFMORU-AWEZNQCLSA-N 1 0 307.438 3.070 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc2ccccc21 ZINC000113230671 431336543 /nfs/dbraw/zinc/33/65/43/431336543.db2.gz MUVBQQRJZGGDIA-CRAIPNDOSA-N 1 0 308.425 3.077 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000113224560 431336793 /nfs/dbraw/zinc/33/67/93/431336793.db2.gz VEHIOWMZXYLPDJ-WFASDCNBSA-N 1 0 311.429 3.093 10 0 DGAERO COc1ccc(OCc2nc(C[NH2+][C@H]3C[C@@H]3C)cs2)cc1 ZINC000113335615 431342991 /nfs/dbraw/zinc/34/29/91/431342991.db2.gz NTLSXVUZXNODQB-NHYWBVRUSA-N 1 0 304.415 3.229 10 0 DGAERO Cc1ccc2[nH]cc(CCC(=O)NCC[NH+]3CCCCC3)c2c1 ZINC000072955931 431360340 /nfs/dbraw/zinc/36/03/40/431360340.db2.gz MMVNGYBIZDQAAK-UHFFFAOYSA-N 1 0 313.445 3.011 10 0 DGAERO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc2cc(F)ccc2n1CC ZINC000114459820 431392977 /nfs/dbraw/zinc/39/29/77/431392977.db2.gz UMLQAXBJNLEJOS-IRXDYDNUSA-N 1 0 319.424 3.321 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@]2(CC=CCC2)C1)[N@H+](C)C1CC1 ZINC000114595813 431398560 /nfs/dbraw/zinc/39/85/60/431398560.db2.gz BRSQVLBMYKIYDV-MAUKXSAKSA-N 1 0 305.466 3.001 10 0 DGAERO Cc1ccc2cccc(NC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c2n1 ZINC000114579065 431398822 /nfs/dbraw/zinc/39/88/22/431398822.db2.gz CFQFYLHZDSWBFX-INIZCTEOSA-N 1 0 324.428 3.245 10 0 DGAERO C[NH+](C)CCN(C(=O)c1cccc2ncccc21)C1CCCC1 ZINC000114690984 431403268 /nfs/dbraw/zinc/40/32/68/431403268.db2.gz PAXXWYBCEYWGFX-UHFFFAOYSA-N 1 0 311.429 3.181 10 0 DGAERO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC000246419543 288165334 /nfs/dbraw/zinc/16/53/34/288165334.db2.gz BXBDEWFYAZNPQB-CGTJXYLNSA-N 1 0 323.502 3.325 10 0 DGAERO CC[C@H](C)CN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115694825 431470751 /nfs/dbraw/zinc/47/07/51/431470751.db2.gz XATWOQMCRWMCOR-ZDUSSCGKSA-N 1 0 309.429 3.075 10 0 DGAERO CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CC)[C@@H](C)c1cccnc1 ZINC000115681708 431471170 /nfs/dbraw/zinc/47/11/70/431471170.db2.gz MXSRPCWARCINLQ-DOTOQJQBSA-N 1 0 318.465 3.049 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2CC=CCC2)ccc1F ZINC000115695577 431471423 /nfs/dbraw/zinc/47/14/23/431471423.db2.gz LVHASFRYEKLDGW-AWEZNQCLSA-N 1 0 319.424 3.043 10 0 DGAERO Cc1ccc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)s1 ZINC000075411356 431475530 /nfs/dbraw/zinc/47/55/30/431475530.db2.gz JEHWSWRRPMDHQD-UHFFFAOYSA-N 1 0 303.431 3.310 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(C)c2C)C1 ZINC000115807116 431476559 /nfs/dbraw/zinc/47/65/59/431476559.db2.gz HZGFMNFTGYRNEF-HOTGVXAUSA-N 1 0 303.450 3.148 10 0 DGAERO C[C@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000115844659 431476619 /nfs/dbraw/zinc/47/66/19/431476619.db2.gz ULLLCIOAVMXXRP-AWEZNQCLSA-N 1 0 321.440 3.219 10 0 DGAERO Cc1ccc(C)c(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1 ZINC000011754670 431480205 /nfs/dbraw/zinc/48/02/05/431480205.db2.gz HRYUWEIPAXEBJP-INIZCTEOSA-N 1 0 307.397 3.293 10 0 DGAERO COc1ccccc1-c1nnc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)o1 ZINC000076150308 431531201 /nfs/dbraw/zinc/53/12/01/431531201.db2.gz FWULPWOPWGUOPT-OLZOCXBDSA-N 1 0 301.390 3.366 10 0 DGAERO COc1ccc(OC)c(C[N@H+](CCC(=O)OC(C)C)C2CC2)c1 ZINC000075588957 431489926 /nfs/dbraw/zinc/48/99/26/431489926.db2.gz NQPTXDODNDGJOC-UHFFFAOYSA-N 1 0 321.417 3.010 10 0 DGAERO C[C@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000116189228 431492484 /nfs/dbraw/zinc/49/24/84/431492484.db2.gz GQCHWBGGEXUUBU-OAHLLOKOSA-N 1 0 318.436 3.406 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(OC(F)F)cc3)C2)cn1 ZINC000116317227 431502509 /nfs/dbraw/zinc/50/25/09/431502509.db2.gz CIHVHDUOMYBGEO-ZDUSSCGKSA-N 1 0 307.344 3.011 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](CCOc3cccc4ccccc43)C2)cn1 ZINC000116320596 431503146 /nfs/dbraw/zinc/50/31/46/431503146.db2.gz VVLFIJUQSNTKOO-QGZVFWFLSA-N 1 0 321.424 3.442 10 0 DGAERO O[C@@H]1Cc2ccccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000013472048 431555949 /nfs/dbraw/zinc/55/59/49/431555949.db2.gz GOGXKAKIFSWUSO-IBGZPJMESA-N 1 0 309.409 3.069 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(CC(C)C)n2)[C@H](C)C1 ZINC000076491489 431552104 /nfs/dbraw/zinc/55/21/04/431552104.db2.gz AQGDNBALYPERQJ-UKRRQHHQSA-N 1 0 323.506 3.144 10 0 DGAERO CCCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000076488194 431553467 /nfs/dbraw/zinc/55/34/67/431553467.db2.gz UUQQJMUFIJZQHK-MAUKXSAKSA-N 1 0 302.462 3.441 10 0 DGAERO CCC[NH2+][C@@H](C)Cc1cc(OC)c(Br)cc1OC ZINC000013450463 431553607 /nfs/dbraw/zinc/55/36/07/431553607.db2.gz UGQKMZIPUUQGHA-JTQLQIEISA-N 1 0 316.239 3.397 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1Cc1ccccc1OCC(=O)N(C)C ZINC000093530197 288188326 /nfs/dbraw/zinc/18/83/26/288188326.db2.gz VOTJKJRLMBXOSM-KRWDZBQOSA-N 1 0 318.461 3.308 10 0 DGAERO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C3CC3)cc1)C[C@@H](C)O2 ZINC000459498358 280064324 /nfs/dbraw/zinc/06/43/24/280064324.db2.gz BSJSODNJDNVQME-SPYBWZPUSA-N 1 0 301.430 3.332 10 0 DGAERO C[C@](O)(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)c1ccccc1 ZINC000248735202 280142707 /nfs/dbraw/zinc/14/27/07/280142707.db2.gz QQNBRCHMJCTQCK-PMACEKPBSA-N 1 0 309.409 3.026 10 0 DGAERO COc1ccc(CNC(=O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000077183240 431572811 /nfs/dbraw/zinc/57/28/11/431572811.db2.gz MUARBUHCTKDBQM-UHFFFAOYSA-N 1 0 306.450 3.116 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000236829837 280278447 /nfs/dbraw/zinc/27/84/47/280278447.db2.gz AOBUOAWJDDUVDE-FUHWJXTLSA-N 1 0 302.462 3.328 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000077455990 431596904 /nfs/dbraw/zinc/59/69/04/431596904.db2.gz KSHZIAXSNCKDFR-IBGZPJMESA-N 1 0 315.461 3.208 10 0 DGAERO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077483288 431599952 /nfs/dbraw/zinc/59/99/52/431599952.db2.gz VGYPFXRXYMHQHV-CQSZACIVSA-N 1 0 319.401 3.284 10 0 DGAERO CC(C)[N@H+](CCC(=O)Nc1cccc(F)c1)C1CCOCC1 ZINC000077323307 431583878 /nfs/dbraw/zinc/58/38/78/431583878.db2.gz CVXJSHXLOWWIBH-UHFFFAOYSA-N 1 0 308.397 3.044 10 0 DGAERO Cc1ccc(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)c(C)c1 ZINC000077357002 431588961 /nfs/dbraw/zinc/58/89/61/431588961.db2.gz GZGHVFGAOZNMBV-UHFFFAOYSA-N 1 0 304.434 3.131 10 0 DGAERO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCC1(C)C ZINC000077382402 431592047 /nfs/dbraw/zinc/59/20/47/431592047.db2.gz CBYZLDJNNOLEBU-CQSZACIVSA-N 1 0 306.475 3.458 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CCCC2(C)C)ccc1F ZINC000078328467 431658104 /nfs/dbraw/zinc/65/81/04/431658104.db2.gz CPMSZRACBRMGIQ-MRXNPFEDSA-N 1 0 321.440 3.265 10 0 DGAERO Cc1cc(N2CCC([NH2+][C@H]3CCCC[C@H]3C3CC3)CC2)n[nH]1 ZINC000439138573 280545998 /nfs/dbraw/zinc/54/59/98/280545998.db2.gz KJEMIGOBVVTXAC-IRXDYDNUSA-N 1 0 302.466 3.245 10 0 DGAERO Cn1ccnc1-c1cccc(NC(=O)C[C@H]([NH3+])c2ccccc2)c1 ZINC000119517384 431702019 /nfs/dbraw/zinc/70/20/19/431702019.db2.gz OPOLEELTXFPUAZ-KRWDZBQOSA-N 1 0 320.396 3.116 10 0 DGAERO C[NH+]1CCC(N(Cc2ccco2)C(=O)CSC(C)(C)C)CC1 ZINC000078759019 431706326 /nfs/dbraw/zinc/70/63/26/431706326.db2.gz NNAVNXYHLRWPMM-UHFFFAOYSA-N 1 0 324.490 3.234 10 0 DGAERO CCOCCC1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCCC1 ZINC000119577256 431709917 /nfs/dbraw/zinc/70/99/17/431709917.db2.gz ZZMZOONSCWJSFM-ULQDDVLXSA-N 1 0 322.493 3.010 10 0 DGAERO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)sc1C ZINC000029954548 431733674 /nfs/dbraw/zinc/73/36/74/431733674.db2.gz AWFZSMUZCCFCCH-HNNXBMFYSA-N 1 0 302.443 3.398 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1F ZINC000120964251 431737838 /nfs/dbraw/zinc/73/78/38/431737838.db2.gz OWVDSEONVXKZRX-ACJLOTCBSA-N 1 0 312.388 3.198 10 0 DGAERO CC(=O)N[C@H]1CCC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000079885834 431750530 /nfs/dbraw/zinc/75/05/30/431750530.db2.gz LGZGBNULOHADAX-AWEZNQCLSA-N 1 0 312.866 3.033 10 0 DGAERO CCO[C@H]1C[C@@H](N(C)Cc2nc(CC(C)C)no2)C12CCCC2 ZINC000121196197 431753949 /nfs/dbraw/zinc/75/39/49/431753949.db2.gz LJKRWZMYTJFKKJ-CABCVRRESA-N 1 0 321.465 3.438 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H](C)c1ccc(OC)cc1 ZINC000079253541 431720388 /nfs/dbraw/zinc/72/03/88/431720388.db2.gz TVTWYHAKLPSNFD-LSDHHAIUSA-N 1 0 321.465 3.128 10 0 DGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000079306355 431720629 /nfs/dbraw/zinc/72/06/29/431720629.db2.gz KCJIMFUFNLCDNS-CHWSQXEVSA-N 1 0 322.449 3.048 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)COCc1ccccc1F ZINC000121508119 431796581 /nfs/dbraw/zinc/79/65/81/431796581.db2.gz GAIYAEDAOOGYCL-RDJZCZTQSA-N 1 0 317.404 3.362 10 0 DGAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000121541857 431800785 /nfs/dbraw/zinc/80/07/85/431800785.db2.gz OXFGJNDLEVJBGH-DZGCQCFKSA-N 1 0 321.367 3.364 10 0 DGAERO CCOCc1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000122006960 431807272 /nfs/dbraw/zinc/80/72/72/431807272.db2.gz FRAYNWBQURXTQF-WMLDXEAASA-N 1 0 319.449 3.073 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCCN(Cc3c(F)cccc3F)C2)n1 ZINC000122027483 431810855 /nfs/dbraw/zinc/81/08/55/431810855.db2.gz BXOWGVPNORVOPQ-CQSZACIVSA-N 1 0 320.387 3.085 10 0 DGAERO CCC[N@@H+](Cc1cn2cc(C)ccc2n1)C[C@H]1CCCCO1 ZINC000084075180 431813394 /nfs/dbraw/zinc/81/33/94/431813394.db2.gz HFIITKOKQCTCLT-QGZVFWFLSA-N 1 0 301.434 3.424 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccccc2F)CC[N@@H+]1C ZINC000122703403 431842813 /nfs/dbraw/zinc/84/28/13/431842813.db2.gz SCTSPTOOMLJWPU-ZIAGYGMSSA-N 1 0 306.425 3.044 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cnc2c(C)cccn12 ZINC000122786454 431844623 /nfs/dbraw/zinc/84/46/23/431844623.db2.gz BPTGTYWCXLBGDL-QGZVFWFLSA-N 1 0 323.444 3.330 10 0 DGAERO COC(=O)c1occc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037318784 431846186 /nfs/dbraw/zinc/84/61/86/431846186.db2.gz AISDACNLIXVKPB-WDEREUQCSA-N 1 0 305.296 3.277 10 0 DGAERO O=C(c1cc(Cl)ccc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917235 431851203 /nfs/dbraw/zinc/85/12/03/431851203.db2.gz ZRKRBRWFWXOODJ-NHYWBVRUSA-N 1 0 310.800 3.083 10 0 DGAERO CCc1ncc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000037924368 431851892 /nfs/dbraw/zinc/85/18/92/431851892.db2.gz PMJWDWJKJSUWSN-NSHDSACASA-N 1 0 304.415 3.328 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc3cccnc32)CCN1C ZINC000123746427 431873404 /nfs/dbraw/zinc/87/34/04/431873404.db2.gz FLDITTOCCMGTBO-CXAGYDPISA-N 1 0 301.409 3.288 10 0 DGAERO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000038012547 431853481 /nfs/dbraw/zinc/85/34/81/431853481.db2.gz JWADFZFWTRVTGS-GHMZBOCLSA-N 1 0 313.239 3.014 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000123101952 431854742 /nfs/dbraw/zinc/85/47/42/431854742.db2.gz AGEIDUIRUORZLZ-SJLPKXTDSA-N 1 0 314.477 3.499 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2nc3cc(Cl)ccc3n2C)CC[N@@H+]1C ZINC000123099785 431855403 /nfs/dbraw/zinc/85/54/03/431855403.db2.gz ZFXYTRUVXBFDNC-TZMCWYRMSA-N 1 0 320.868 3.141 10 0 DGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000123111507 431856046 /nfs/dbraw/zinc/85/60/46/431856046.db2.gz NFGPUHJSWUONBT-HOCLYGCPSA-N 1 0 306.450 3.085 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)cc1 ZINC000089641624 431873548 /nfs/dbraw/zinc/87/35/48/431873548.db2.gz LDTPQIXPXRULPN-CYBMUJFWSA-N 1 0 318.442 3.227 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123167997 431857390 /nfs/dbraw/zinc/85/73/90/431857390.db2.gz OPKWPIFQNPUWKP-RISCZKNCSA-N 1 0 314.351 3.260 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)CCSc2ccc(F)cc2)CC[N@@H+]1C ZINC000123383519 431863217 /nfs/dbraw/zinc/86/32/17/431863217.db2.gz UYFFWHRQEOAKMQ-UKRRQHHQSA-N 1 0 324.465 3.249 10 0 DGAERO Cc1cccc(OCCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123398293 431864159 /nfs/dbraw/zinc/86/41/59/431864159.db2.gz OKZFDGLBAAQBEI-SJORKVTESA-N 1 0 318.461 3.095 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CCCC3)CC[N@@H+]1C ZINC000123401819 431864437 /nfs/dbraw/zinc/86/44/37/431864437.db2.gz XWHQWQUOMANUJW-TZMCWYRMSA-N 1 0 306.475 3.182 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2coc(-c3cccs3)n2)CC[N@@H+]1C ZINC000123452398 431865619 /nfs/dbraw/zinc/86/56/19/431865619.db2.gz FGSYYKLRFRTYPK-OCCSQVGLSA-N 1 0 305.447 3.318 10 0 DGAERO c1ccc(OCC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123572008 431868212 /nfs/dbraw/zinc/86/82/12/431868212.db2.gz MTUYHSJCKPAPGV-WBVHZDCISA-N 1 0 307.459 3.052 10 0 DGAERO COc1ccc2cc([C@H](C)[NH2+]CCc3nc(C)no3)ccc2c1 ZINC000089518610 431868496 /nfs/dbraw/zinc/86/84/96/431868496.db2.gz KULBJKWMLZUFNC-LBPRGKRZSA-N 1 0 311.385 3.433 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123615532 431869900 /nfs/dbraw/zinc/86/99/00/431869900.db2.gz MWNCKIHWTKJYHF-BBRMVZONSA-N 1 0 308.853 3.214 10 0 DGAERO Cc1cc(CCCC(=O)N2CCC[N@@H+](C3CC3)CC2)c(C)s1 ZINC000084589585 431829224 /nfs/dbraw/zinc/82/92/24/431829224.db2.gz SVMSVXIMNZDOCX-UHFFFAOYSA-N 1 0 320.502 3.384 10 0 DGAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000122421289 431832762 /nfs/dbraw/zinc/83/27/62/431832762.db2.gz VOLGGYBMDMTUDS-ZFWWWQNUSA-N 1 0 322.836 3.073 10 0 DGAERO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036031651 431833762 /nfs/dbraw/zinc/83/37/62/431833762.db2.gz POZVYAGFBXLRNI-KRWDZBQOSA-N 1 0 313.397 3.188 10 0 DGAERO Cc1ccc(/C=C/CC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000084760158 431833779 /nfs/dbraw/zinc/83/37/79/431833779.db2.gz OARBZTMREVCLJH-AATRIKPKSA-N 1 0 300.446 3.389 10 0 DGAERO Cc1cccc(C[N@H+](C[C@@H](O)COCc2ccco2)C2CC2)c1 ZINC000036098805 431835656 /nfs/dbraw/zinc/83/56/56/431835656.db2.gz DXXHRTGACAAYON-GOSISDBHSA-N 1 0 315.413 3.130 10 0 DGAERO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)C)c1 ZINC000036100327 431835673 /nfs/dbraw/zinc/83/56/73/431835673.db2.gz JFHXVBOMYUPTPM-GOSISDBHSA-N 1 0 323.477 3.329 10 0 DGAERO CC(C)C[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036099628 431835945 /nfs/dbraw/zinc/83/59/45/431835945.db2.gz XXJCDJUPEXZHLQ-INIZCTEOSA-N 1 0 315.404 3.209 10 0 DGAERO OC1(COc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000085347858 431838634 /nfs/dbraw/zinc/83/86/34/431838634.db2.gz LSSBRHPUARNWQT-UHFFFAOYSA-N 1 0 315.388 3.232 10 0 DGAERO CC(=O)Nc1ccccc1C[N@H+](C)CCc1ncc(C)s1 ZINC000093807371 431916750 /nfs/dbraw/zinc/91/67/50/431916750.db2.gz TXZYCNLAPPFINS-UHFFFAOYSA-N 1 0 303.431 3.084 10 0 DGAERO C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000047973784 431917974 /nfs/dbraw/zinc/91/79/74/431917974.db2.gz OFSLGMGUIRSEOU-UKRRQHHQSA-N 1 0 317.458 3.411 10 0 DGAERO Clc1ncc(COCCC[C@@H]2CCC[NH2+]C2)c(Cl)n1 ZINC000095070235 431920390 /nfs/dbraw/zinc/92/03/90/431920390.db2.gz JXOLCXIZVLZTIM-JTQLQIEISA-N 1 0 304.221 3.080 10 0 DGAERO COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(C)cc1C ZINC000125319279 431921319 /nfs/dbraw/zinc/92/13/19/431921319.db2.gz RTUOSOQJDNLNDY-GOEBONIOSA-N 1 0 314.433 3.227 10 0 DGAERO O=C(OCc1ccccc1)N(CC1CC[NH2+]CC1)C(F)(F)F ZINC000095076948 431921629 /nfs/dbraw/zinc/92/16/29/431921629.db2.gz VWZLCXMUUMNFKA-UHFFFAOYSA-N 1 0 316.323 3.145 10 0 DGAERO O=C(OCc1ccccc1)N1CCC(CC[NH2+]C2CC2)CC1 ZINC000095077811 431921726 /nfs/dbraw/zinc/92/17/26/431921726.db2.gz LIKCLGYMPBJCHB-UHFFFAOYSA-N 1 0 302.418 3.177 10 0 DGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000089732111 431876207 /nfs/dbraw/zinc/87/62/07/431876207.db2.gz KQUURMLHQUKGCG-WMZOPIPTSA-N 1 0 310.445 3.413 10 0 DGAERO CCCc1cc(N2CCC[C@@H](NC(C)=O)C2)c2ccccc2[nH+]1 ZINC000123865126 431876862 /nfs/dbraw/zinc/87/68/62/431876862.db2.gz GOEQGDILGNXMAX-MRXNPFEDSA-N 1 0 311.429 3.292 10 0 DGAERO CC(C)C[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C1CC1 ZINC000044898298 431878835 /nfs/dbraw/zinc/87/88/35/431878835.db2.gz ZQAJIIQPZAZWBA-UHFFFAOYSA-N 1 0 317.458 3.094 10 0 DGAERO O=C(c1scnc1C1CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000089804032 431879675 /nfs/dbraw/zinc/87/96/75/431879675.db2.gz VFPLYMQSSGXNTE-CQSZACIVSA-N 1 0 319.474 3.111 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123967119 431879746 /nfs/dbraw/zinc/87/97/46/431879746.db2.gz WVCKUSROMUKIRZ-DOTOQJQBSA-N 1 0 302.462 3.196 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2coc(-c3cccc(F)c3)n2)CC[N@@H+]1C ZINC000123995306 431880620 /nfs/dbraw/zinc/88/06/20/431880620.db2.gz YCAMOOADMDRDDW-SUMWQHHRSA-N 1 0 317.408 3.395 10 0 DGAERO CCOC(C[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1)OCC ZINC000124050975 431881905 /nfs/dbraw/zinc/88/19/05/431881905.db2.gz BXPWJCHTWCQVHV-ZDUSSCGKSA-N 1 0 312.479 3.284 10 0 DGAERO COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1c(C)nn(C)c1C ZINC000124199704 431886207 /nfs/dbraw/zinc/88/62/07/431886207.db2.gz AEHNCKKOEXDRMS-CYBMUJFWSA-N 1 0 301.434 3.247 10 0 DGAERO CC[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1nccs1 ZINC000124287300 431888528 /nfs/dbraw/zinc/88/85/28/431888528.db2.gz BAJLLGJOMJGNHX-ZDUSSCGKSA-N 1 0 324.494 3.156 10 0 DGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000090251396 431891524 /nfs/dbraw/zinc/89/15/24/431891524.db2.gz RQNNBPSUPZFBMM-ZANVPECISA-N 1 0 318.642 3.353 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)CCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000124367281 431891895 /nfs/dbraw/zinc/89/18/95/431891895.db2.gz XXMMKYMIJBKELN-UKRRQHHQSA-N 1 0 324.852 3.050 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)Nc1ncncc1Br ZINC000090780782 431894986 /nfs/dbraw/zinc/89/49/86/431894986.db2.gz GMMGWNDCHOXJBP-NSHDSACASA-N 1 0 315.259 3.162 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C2(c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000124512239 431896028 /nfs/dbraw/zinc/89/60/28/431896028.db2.gz DUPSDOYGNNPRFN-CZUORRHYSA-N 1 0 320.864 3.313 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1cccc(Cl)c1 ZINC000046280555 431896606 /nfs/dbraw/zinc/89/66/06/431896606.db2.gz SATFZTCEYSAEOZ-ZDUSSCGKSA-N 1 0 311.857 3.212 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]CCCNC(=O)C(C)C)C(C)C ZINC000090880654 431896664 /nfs/dbraw/zinc/89/66/64/431896664.db2.gz ZBZAHAKIPRLKON-KRWDZBQOSA-N 1 0 320.477 3.014 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000125440572 431925861 /nfs/dbraw/zinc/92/58/61/431925861.db2.gz FOPAEHKNVUINTP-VQIMIIECSA-N 1 0 305.462 3.325 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccsc1 ZINC000090939146 431899088 /nfs/dbraw/zinc/89/90/88/431899088.db2.gz RWJNEMRDHSPOSS-QWHCGFSZSA-N 1 0 313.426 3.197 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cccs1 ZINC000090938769 431899093 /nfs/dbraw/zinc/89/90/93/431899093.db2.gz VNCCIRDQGHOXJH-OLZOCXBDSA-N 1 0 313.426 3.197 10 0 DGAERO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cc(=O)n3ccccc3n2)o1 ZINC000124787522 431904367 /nfs/dbraw/zinc/90/43/67/431904367.db2.gz LDBLGNPCATVIEP-MRXNPFEDSA-N 1 0 323.396 3.323 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c1C ZINC000127661549 431977134 /nfs/dbraw/zinc/97/71/34/431977134.db2.gz DLOJVIYEBPZMGI-MLGOLLRUSA-N 1 0 313.445 3.339 10 0 DGAERO Cc1nccn1CCCC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000125540646 431929369 /nfs/dbraw/zinc/92/93/69/431929369.db2.gz QHYVCCOCYVRQPE-UHFFFAOYSA-N 1 0 318.490 3.439 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc(C(F)(F)F)c1 ZINC000125697288 431933624 /nfs/dbraw/zinc/93/36/24/431933624.db2.gz PYESDWBWJQJTTE-DOMZBBRYSA-N 1 0 317.351 3.145 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc(C(F)(F)F)c1 ZINC000125696974 431933791 /nfs/dbraw/zinc/93/37/91/431933791.db2.gz PYESDWBWJQJTTE-WFASDCNBSA-N 1 0 317.351 3.145 10 0 DGAERO [NH3+][C@H](COC(F)(F)F)c1cc(F)ccc1Br ZINC000096034649 431934566 /nfs/dbraw/zinc/93/45/66/431934566.db2.gz DRPFVTNBIXZVOA-MRVPVSSYSA-N 1 0 302.065 3.124 10 0 DGAERO CC[N@H+](CCOc1c(Cl)cccc1Cl)CCC(=O)OC ZINC000050054352 431945946 /nfs/dbraw/zinc/94/59/46/431945946.db2.gz WMXGRFUUMJEOPZ-UHFFFAOYSA-N 1 0 320.216 3.257 10 0 DGAERO CN(C)c1ccccc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000126532745 431952627 /nfs/dbraw/zinc/95/26/27/431952627.db2.gz ZDSLEORMMCNVJS-IBGZPJMESA-N 1 0 312.413 3.032 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H](C)CCO ZINC000097439854 431969735 /nfs/dbraw/zinc/96/97/35/431969735.db2.gz JKHCFYNIPIISSA-QWHCGFSZSA-N 1 0 301.377 3.217 10 0 DGAERO CC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000054339954 431970030 /nfs/dbraw/zinc/97/00/30/431970030.db2.gz FSIHTRFNKSJTDT-HOCLYGCPSA-N 1 0 309.450 3.254 10 0 DGAERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1C(C)C ZINC000127795680 431981307 /nfs/dbraw/zinc/98/13/07/431981307.db2.gz YWEFQSBYLQYDGP-CJNGLKHVSA-N 1 0 305.466 3.241 10 0 DGAERO Cc1ccc2c(c1)[C@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@@H](C)C2 ZINC000248527294 281109361 /nfs/dbraw/zinc/10/93/61/281109361.db2.gz DCBZOPMUNNQUAQ-SUNYJGFJSA-N 1 0 315.461 3.010 10 0 DGAERO CC1(C)CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000246567973 281134377 /nfs/dbraw/zinc/13/43/77/281134377.db2.gz UWFKWJQEPGFMKV-CPUCHLNUSA-N 1 0 300.446 3.433 10 0 DGAERO CCN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000101566219 431986220 /nfs/dbraw/zinc/98/62/20/431986220.db2.gz AWMHZOXKIPELCM-OAHLLOKOSA-N 1 0 306.450 3.001 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(SC)cc1 ZINC000175048086 281192551 /nfs/dbraw/zinc/19/25/51/281192551.db2.gz PFRFNEAOVONAJZ-LSDHHAIUSA-N 1 0 304.459 3.107 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186346684 288306187 /nfs/dbraw/zinc/30/61/87/288306187.db2.gz AVDBYHFEKHIVMK-RHSMWYFYSA-N 1 0 316.445 3.000 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000128117650 431988187 /nfs/dbraw/zinc/98/81/87/431988187.db2.gz MFICPMUPIZSULE-PBHICJAKSA-N 1 0 321.440 3.006 10 0 DGAERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)C3CCCCC3)C2)n1 ZINC000191325044 281246669 /nfs/dbraw/zinc/24/66/69/281246669.db2.gz SCNJVDASAGVIGV-AEFFLSMTSA-N 1 0 317.477 3.065 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC(c2nncn2C)CC1 ZINC000185268105 281308055 /nfs/dbraw/zinc/30/80/55/281308055.db2.gz HUWTWMCTDIYHNT-UHFFFAOYSA-N 1 0 321.428 3.364 10 0 DGAERO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000247049921 281351526 /nfs/dbraw/zinc/35/15/26/281351526.db2.gz VEZHATWSQCVPCI-YQQAZPJKSA-N 1 0 324.424 3.476 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccc(-n2cncn2)cc1 ZINC000183208661 432268948 /nfs/dbraw/zinc/26/89/48/432268948.db2.gz CCJGBEFLXLRVQH-CABCVRRESA-N 1 0 322.412 3.171 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H]1c1ccccc1 ZINC000248128132 432270047 /nfs/dbraw/zinc/27/00/47/432270047.db2.gz VZHQPKRBPWKZJI-DOTOQJQBSA-N 1 0 316.351 3.140 10 0 DGAERO C[C@]1(C(=O)Nc2ccc(OCC[NH3+])cc2)CCCc2ccccc21 ZINC000183227433 432270475 /nfs/dbraw/zinc/27/04/75/432270475.db2.gz AGBZTUVIHVMAFD-FQEVSTJZSA-N 1 0 324.424 3.257 10 0 DGAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cccc(F)c1F ZINC000183223450 432270586 /nfs/dbraw/zinc/27/05/86/432270586.db2.gz ZBMUVCZNLXQGGL-LBPRGKRZSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc(F)c1F ZINC000183226439 432270727 /nfs/dbraw/zinc/27/07/27/432270727.db2.gz QDOITAGRNQGDNE-QWHCGFSZSA-N 1 0 318.371 3.074 10 0 DGAERO C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C[C@H]1CCCO1 ZINC000183253471 432274455 /nfs/dbraw/zinc/27/44/55/432274455.db2.gz PXJTZIXAGNSZHI-GFCCVEGCSA-N 1 0 321.314 3.378 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000248217869 432276013 /nfs/dbraw/zinc/27/60/13/432276013.db2.gz ZZJWBXFJQRADGL-TVFCKZIOSA-N 1 0 321.436 3.176 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCCCC2CCCC2)CC[N@@H+]1C ZINC000173462469 432280825 /nfs/dbraw/zinc/28/08/25/432280825.db2.gz NDFJTPPRKGDVQV-WBVHZDCISA-N 1 0 309.498 3.471 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000183315815 432281702 /nfs/dbraw/zinc/28/17/02/432281702.db2.gz XIMGDPFAFJQLCU-CWFSZBLJSA-N 1 0 310.441 3.275 10 0 DGAERO CC[C@@]1(C)CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000173491722 432282581 /nfs/dbraw/zinc/28/25/81/432282581.db2.gz CUAXPPQCDPRWQY-HKUYNNGSSA-N 1 0 302.462 3.198 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC000248392940 432285455 /nfs/dbraw/zinc/28/54/55/432285455.db2.gz LHCCBYQVJLMZBY-PMPSAXMXSA-N 1 0 311.372 3.393 10 0 DGAERO COc1cc(C[NH2+]CC=C(C)C)cc(Br)c1O ZINC000191630725 432285829 /nfs/dbraw/zinc/28/58/29/432285829.db2.gz CBBCUOCGCPUVJX-UHFFFAOYSA-N 1 0 300.196 3.219 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2Cl)cn1 ZINC000248426278 432291118 /nfs/dbraw/zinc/29/11/18/432291118.db2.gz MOBNAIVLDWXEPM-JKSUJKDBSA-N 1 0 323.799 3.083 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@H]3CCCC[C@H]3C)CCO2)n1 ZINC000248447398 432292277 /nfs/dbraw/zinc/29/22/77/432292277.db2.gz CZQBQRWNKZRNSB-OLMNPRSZSA-N 1 0 305.466 3.027 10 0 DGAERO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccc2c[nH]nc2c1)Cc1ccccc1 ZINC000191721986 432295529 /nfs/dbraw/zinc/29/55/29/432295529.db2.gz NCIVHEAQJVTBOS-MGPUTAFESA-N 1 0 323.440 3.282 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1nc2cc(F)ccc2o1 ZINC000152009213 432295717 /nfs/dbraw/zinc/29/57/17/432295717.db2.gz WMDQZHDSIBVINN-AWEZNQCLSA-N 1 0 314.364 3.136 10 0 DGAERO CCOc1cc(C[NH2+][C@H]2CCOC[C@H]2C)ccc1OC(F)F ZINC000191756527 432299019 /nfs/dbraw/zinc/29/90/19/432299019.db2.gz TVHDZLBOUUONPW-YPMHNXCESA-N 1 0 315.360 3.201 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)s1 ZINC000191772958 432299584 /nfs/dbraw/zinc/29/95/84/432299584.db2.gz RWMOVCXLBRJVES-MRXNPFEDSA-N 1 0 318.417 3.086 10 0 DGAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCCN2CCOCC2)o1 ZINC000173796616 432299632 /nfs/dbraw/zinc/29/96/32/432299632.db2.gz PSFZBQINHIFNCH-QGZVFWFLSA-N 1 0 306.450 3.091 10 0 DGAERO CCCCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1OC ZINC000191754855 432299916 /nfs/dbraw/zinc/29/99/16/432299916.db2.gz YBJOROZFFBFTPC-ZBFHGGJFSA-N 1 0 307.434 3.389 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)[C@@H]1Oc1ccccc1 ZINC000248552861 432300685 /nfs/dbraw/zinc/30/06/85/432300685.db2.gz JIJGSHSWVAJZCQ-LLLHUVSDSA-N 1 0 307.459 3.097 10 0 DGAERO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000183521135 432301200 /nfs/dbraw/zinc/30/12/00/432301200.db2.gz PRGLZCYTOJZJMC-FZMZJTMJSA-N 1 0 310.463 3.446 10 0 DGAERO Cc1cnn(CCCCC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128471866 431994385 /nfs/dbraw/zinc/99/43/85/431994385.db2.gz XWJWZVNJHLGGOG-MSOLQXFVSA-N 1 0 315.465 3.332 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000102687667 431996945 /nfs/dbraw/zinc/99/69/45/431996945.db2.gz ZZOFCZRCJIOXNS-GFCCVEGCSA-N 1 0 304.340 3.278 10 0 DGAERO Cc1cc([C@@H]2CN(CC[NH+]3CCC(C)CC3)CCO2)ccc1F ZINC000128836289 432001436 /nfs/dbraw/zinc/00/14/36/432001436.db2.gz LLFWNMBRVXDWJD-IBGZPJMESA-N 1 0 320.452 3.239 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)CC/C=C/c3ccccc3)CC[C@H]21 ZINC000247998236 432261783 /nfs/dbraw/zinc/26/17/83/432261783.db2.gz KCGRRAGHFYKKTF-XCACHIDISA-N 1 0 312.457 3.423 10 0 DGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000183128889 432262244 /nfs/dbraw/zinc/26/22/44/432262244.db2.gz RLWDYQCFFBXVER-LJQANCHMSA-N 1 0 323.440 3.001 10 0 DGAERO C[C@H]([NH2+]Cc1c(F)cccc1Br)[C@H]1CCCO1 ZINC000183146736 432262885 /nfs/dbraw/zinc/26/28/85/432262885.db2.gz DJVWNWJXHSMPFU-TVQRCGJNSA-N 1 0 302.187 3.245 10 0 DGAERO CCS[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000248043964 432263273 /nfs/dbraw/zinc/26/32/73/432263273.db2.gz MNUSODQVOSNASZ-IKGGRYGDSA-N 1 0 320.502 3.326 10 0 DGAERO COc1ccccc1-c1nc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cs1 ZINC000183152514 432263390 /nfs/dbraw/zinc/26/33/90/432263390.db2.gz BXNXTQQHLUGJSL-WFASDCNBSA-N 1 0 318.442 3.476 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183155091 432263493 /nfs/dbraw/zinc/26/34/93/432263493.db2.gz BLXBITUJLAXDOT-IAGOWNOFSA-N 1 0 302.462 3.246 10 0 DGAERO C[C@H](N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1(C)CC1 ZINC000248033236 432263577 /nfs/dbraw/zinc/26/35/77/432263577.db2.gz KQXFGEZBMRXXTR-UAGQMJEPSA-N 1 0 315.461 3.262 10 0 DGAERO CCS[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000248043968 432264178 /nfs/dbraw/zinc/26/41/78/432264178.db2.gz MNUSODQVOSNASZ-ULQDDVLXSA-N 1 0 320.502 3.326 10 0 DGAERO COc1ccccc1CC1CC[NH+](CCCn2ccnc2)CC1 ZINC000183171191 432264324 /nfs/dbraw/zinc/26/43/24/432264324.db2.gz HHNSILYEQJQORX-UHFFFAOYSA-N 1 0 313.445 3.237 10 0 DGAERO Cc1ccc(C)c(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248065710 432264888 /nfs/dbraw/zinc/26/48/88/432264888.db2.gz PTCJDQRICATBMV-CTNGQTDRSA-N 1 0 322.452 3.408 10 0 DGAERO Cc1cccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248088213 432268292 /nfs/dbraw/zinc/26/82/92/432268292.db2.gz TVGDGBUCXBCQFR-QUCCMNQESA-N 1 0 308.425 3.099 10 0 DGAERO Cc1cccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248088212 432268327 /nfs/dbraw/zinc/26/83/27/432268327.db2.gz TVGDGBUCXBCQFR-ICSRJNTNSA-N 1 0 308.425 3.099 10 0 DGAERO CCCc1nc(CN2CC[C@H](Oc3cccnc3)C2)cs1 ZINC000152242355 432317035 /nfs/dbraw/zinc/31/70/35/432317035.db2.gz DASSNBFMUGTBCR-HNNXBMFYSA-N 1 0 303.431 3.144 10 0 DGAERO COc1cc(C[N@H+](C)[C@@H](C)c2ccncc2)cc2c1OCCO2 ZINC000183711498 432318639 /nfs/dbraw/zinc/31/86/39/432318639.db2.gz SFYCDQDIQZKGTB-ZDUSSCGKSA-N 1 0 314.385 3.054 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)cn1 ZINC000183710401 432318929 /nfs/dbraw/zinc/31/89/29/432318929.db2.gz QJDVWESTVKQOED-CQSZACIVSA-N 1 0 321.465 3.138 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)C2)n1 ZINC000248819881 432319402 /nfs/dbraw/zinc/31/94/02/432319402.db2.gz FJHXXFZTWNGTRX-UONOGXRCSA-N 1 0 320.458 3.117 10 0 DGAERO C[C@](O)(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccccc1Cl ZINC000248809004 432319822 /nfs/dbraw/zinc/31/98/22/432319822.db2.gz KJFZUUKYZJIVPY-DXEWXGHRSA-N 1 0 321.848 3.095 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccncc1 ZINC000174104728 432321486 /nfs/dbraw/zinc/32/14/86/432321486.db2.gz RQCZWOBCFQNLHT-CXAGYDPISA-N 1 0 313.376 3.067 10 0 DGAERO CCOc1cc(C(=O)NCCC2CC[NH+](CC)CC2)ccc1C ZINC000174110444 432321649 /nfs/dbraw/zinc/32/16/49/432321649.db2.gz BQWROZFJMXLDEH-UHFFFAOYSA-N 1 0 318.461 3.246 10 0 DGAERO c1cc2c(c([C@H]3CCC[N@H+]3C[C@H]3CCC=CO3)c1)OCCO2 ZINC000248873853 432324836 /nfs/dbraw/zinc/32/48/36/432324836.db2.gz IRAWVZVNSXHOFK-GDBMZVCRSA-N 1 0 301.386 3.287 10 0 DGAERO COc1ccc(C[C@H](C)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1F ZINC000248868110 432325514 /nfs/dbraw/zinc/32/55/14/432325514.db2.gz IRAFDMIALGCFLA-GGBBIFEXSA-N 1 0 321.436 3.416 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000174162346 432326283 /nfs/dbraw/zinc/32/62/83/432326283.db2.gz MKLTVXMTBLWTMT-AWEZNQCLSA-N 1 0 306.425 3.046 10 0 DGAERO CCn1cc([C@@H]2C[N@H+](C[C@@H]3C(C)=CCC[C@H]3C)CCO2)cn1 ZINC000248897960 432326600 /nfs/dbraw/zinc/32/66/00/432326600.db2.gz UNLRJDDXNQJBNI-NXHRZFHOSA-N 1 0 303.450 3.269 10 0 DGAERO CN(CCCOc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000152373534 432329442 /nfs/dbraw/zinc/32/94/42/432329442.db2.gz OBBCBRYAAOTQRH-HIFRSBDPSA-N 1 0 324.852 3.085 10 0 DGAERO O=C1O[C@@H](C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC12CCC2 ZINC000248907661 432329644 /nfs/dbraw/zinc/32/96/44/432329644.db2.gz WXWMIHIRFYUANF-IAGOWNOFSA-N 1 0 317.404 3.318 10 0 DGAERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCOc1ccc(F)cc1F ZINC000183850424 432330443 /nfs/dbraw/zinc/33/04/43/432330443.db2.gz VCJZSVFGXJLQFE-NSHDSACASA-N 1 0 315.360 3.054 10 0 DGAERO c1c[nH]c([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)n1 ZINC000271114472 432330870 /nfs/dbraw/zinc/33/08/70/432330870.db2.gz GDICYOMAFUAAEK-HNNXBMFYSA-N 1 0 307.401 3.179 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000174544617 432355327 /nfs/dbraw/zinc/35/53/27/432355327.db2.gz BXTLYHIHPSVFHT-MQIPJXDCSA-N 1 0 301.434 3.474 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2csc(CC)n2)C12CCOCC2 ZINC000248978884 432332901 /nfs/dbraw/zinc/33/29/01/432332901.db2.gz IHYQLIUIBOQDCQ-NWANDNLSSA-N 1 0 324.490 3.330 10 0 DGAERO CCO[C@H](CC[NH2+][C@H]1C[C@H](OCC)C12CCOCC2)C(C)C ZINC000249039242 432335136 /nfs/dbraw/zinc/33/51/36/432335136.db2.gz USWZDLMWSYVNJC-IKGGRYGDSA-N 1 0 313.482 3.001 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000192129821 432335761 /nfs/dbraw/zinc/33/57/61/432335761.db2.gz YCGMCJIVKVERCE-TVQRCGJNSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1nc(-c2ccccc2)cs1 ZINC000152483529 432336112 /nfs/dbraw/zinc/33/61/12/432336112.db2.gz UNIKZQDOLQWMJC-TZMCWYRMSA-N 1 0 315.442 3.082 10 0 DGAERO C[C@@H]1CC(C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@@H](C)C1 ZINC000183977191 432341461 /nfs/dbraw/zinc/34/14/61/432341461.db2.gz QVPXWKKUAHPPFP-HOTGVXAUSA-N 1 0 306.494 3.393 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000249737459 432355559 /nfs/dbraw/zinc/35/55/59/432355559.db2.gz WMXHANKLCBKDEW-DLBZAZTESA-N 1 0 309.425 3.009 10 0 DGAERO CCc1csc([C@H]2CCC[N@H+](C[C@@H](O)CC(F)(F)F)C2)n1 ZINC000249283715 432343193 /nfs/dbraw/zinc/34/31/93/432343193.db2.gz LHVOIESHEOJCEE-JQWIXIFHSA-N 1 0 322.396 3.198 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c(C3CC3)nc3sccn23)CC[C@H]1C ZINC000249234138 432343540 /nfs/dbraw/zinc/34/35/40/432343540.db2.gz VWICHLHDQSIVRC-BXUZGUMPSA-N 1 0 305.447 3.130 10 0 DGAERO COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000174416959 432345088 /nfs/dbraw/zinc/34/50/88/432345088.db2.gz ZMDCWLSPSGLDQD-QGZVFWFLSA-N 1 0 324.424 3.073 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCCc3cc(OC(F)F)ccc32)C1 ZINC000152650218 432345216 /nfs/dbraw/zinc/34/52/16/432345216.db2.gz JHIWSHPSTQEFNU-OLZOCXBDSA-N 1 0 324.371 3.085 10 0 DGAERO CC[C@H]1CN(c2ccccc2)CCN1Cc1nc(C2CC2)no1 ZINC000184022010 432345605 /nfs/dbraw/zinc/34/56/05/432345605.db2.gz AHWXYJKZKMCYMI-HNNXBMFYSA-N 1 0 312.417 3.048 10 0 DGAERO OCCCCCN1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184010629 432346149 /nfs/dbraw/zinc/34/61/49/432346149.db2.gz NPLLLPBNJCJXNJ-HNNXBMFYSA-N 1 0 317.351 3.241 10 0 DGAERO CN1CC[C@H]([NH2+]Cc2ccc(F)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000249424404 432346600 /nfs/dbraw/zinc/34/66/00/432346600.db2.gz FGOWXCNPQKJPLV-DOTOQJQBSA-N 1 0 321.346 3.034 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000249399912 432346744 /nfs/dbraw/zinc/34/67/44/432346744.db2.gz UWDXYMMHVCMMEV-WFASDCNBSA-N 1 0 323.387 3.499 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000249399911 432346863 /nfs/dbraw/zinc/34/68/63/432346863.db2.gz UWDXYMMHVCMMEV-DOMZBBRYSA-N 1 0 323.387 3.499 10 0 DGAERO Cc1coc2ccc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cc12 ZINC000249465944 432348726 /nfs/dbraw/zinc/34/87/26/432348726.db2.gz SIUQEYYCAWAXEK-HIFRSBDPSA-N 1 0 313.401 3.442 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCCCC2CCCCC2)CC[N@@H+]1C ZINC000173916592 432308893 /nfs/dbraw/zinc/30/88/93/432308893.db2.gz JSYKFZMDYDEPSL-NVXWUHKLSA-N 1 0 309.498 3.471 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(Br)s1 ZINC000249725558 432354728 /nfs/dbraw/zinc/35/47/28/432354728.db2.gz LNHLAKPJVNZRNT-LPEHRKFASA-N 1 0 304.253 3.465 10 0 DGAERO CCn1cc([C@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)cn1 ZINC000248719585 432312816 /nfs/dbraw/zinc/31/28/16/432312816.db2.gz LIKJLHDIPPEFKG-RBUKOAKNSA-N 1 0 311.429 3.354 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)CC[C@@H]1C ZINC000251946191 432373270 /nfs/dbraw/zinc/37/32/70/432373270.db2.gz UZLUKEMFQRRDKI-WOSRLPQWSA-N 1 0 322.474 3.092 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(Cl)ccc1Cl ZINC000251916117 432373967 /nfs/dbraw/zinc/37/39/67/432373967.db2.gz XOVKRMBBVAQKSY-MNOVXSKESA-N 1 0 300.233 3.057 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccn1 ZINC000192473913 432377556 /nfs/dbraw/zinc/37/75/56/432377556.db2.gz FMUBDCPHOFIWNG-HOTGVXAUSA-N 1 0 314.429 3.296 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000184317920 432380114 /nfs/dbraw/zinc/38/01/14/432380114.db2.gz VTSNUPSVRKMHJD-GFCCVEGCSA-N 1 0 317.355 3.245 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)nc2ccccc21 ZINC000174975158 432386041 /nfs/dbraw/zinc/38/60/41/432386041.db2.gz SCSMLNXLBKAQQM-HZPDHXFCSA-N 1 0 323.440 3.242 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cncc(C)c2)C1 ZINC000184387729 432386162 /nfs/dbraw/zinc/38/61/62/432386162.db2.gz WTOGKPNPGBCSBE-RDJZCZTQSA-N 1 0 311.429 3.328 10 0 DGAERO C[C@@H](CCC1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174989563 432386655 /nfs/dbraw/zinc/38/66/55/432386655.db2.gz XXSLHERQMMQBHC-FUHWJXTLSA-N 1 0 319.493 3.391 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccccc1Cl ZINC000174987404 432386999 /nfs/dbraw/zinc/38/69/99/432386999.db2.gz TYNBNKMRCIZDRB-JKSUJKDBSA-N 1 0 320.864 3.358 10 0 DGAERO C[C@H](CCC1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174989543 432387309 /nfs/dbraw/zinc/38/73/09/432387309.db2.gz XXSLHERQMMQBHC-AEFFLSMTSA-N 1 0 319.493 3.391 10 0 DGAERO Cc1ccc(CC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000192573001 432388394 /nfs/dbraw/zinc/38/83/94/432388394.db2.gz MCJAQGGCTVUSLY-UHFFFAOYSA-N 1 0 312.438 3.241 10 0 DGAERO CCCOc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000175009217 432389158 /nfs/dbraw/zinc/38/91/58/432389158.db2.gz YHZRNHQUPXRGAD-IRXDYDNUSA-N 1 0 316.445 3.174 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1Cl ZINC000175027742 432389962 /nfs/dbraw/zinc/38/99/62/432389962.db2.gz RKFFSCPESDGCAM-CHWSQXEVSA-N 1 0 310.800 3.178 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000153191202 432390224 /nfs/dbraw/zinc/39/02/24/432390224.db2.gz NCAFJBZPNOUGRO-IINYFYTJSA-N 1 0 313.804 3.426 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000153219055 432392030 /nfs/dbraw/zinc/39/20/30/432392030.db2.gz ANCAPFMNIISJFF-CABCVRRESA-N 1 0 307.401 3.383 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccccc21 ZINC000153227308 432394636 /nfs/dbraw/zinc/39/46/36/432394636.db2.gz DULNXHGCGMYTCR-RVKKMQEKSA-N 1 0 315.461 3.361 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)c1C ZINC000192639809 432394640 /nfs/dbraw/zinc/39/46/40/432394640.db2.gz RQXMOCQSNYOIPI-ZIAGYGMSSA-N 1 0 306.837 3.347 10 0 DGAERO CCCOc1ccccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000192674463 432400113 /nfs/dbraw/zinc/40/01/13/432400113.db2.gz ATYFPYOKGJMVDJ-UHFFFAOYSA-N 1 0 305.422 3.033 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184516898 432400703 /nfs/dbraw/zinc/40/07/03/432400703.db2.gz BAUQBPJFVFQDHW-SCLBCKFNSA-N 1 0 322.424 3.024 10 0 DGAERO C[C@H]1CC[N@H+](CC(=O)N2CCCCC2)[C@@H]1c1cccc(F)c1 ZINC000175149050 432402374 /nfs/dbraw/zinc/40/23/74/432402374.db2.gz SMLDVFJVLNCIPJ-KSSFIOAISA-N 1 0 304.409 3.221 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000175152821 432404668 /nfs/dbraw/zinc/40/46/68/432404668.db2.gz HBWDYLFZJLJRFJ-ZBFHGGJFSA-N 1 0 319.449 3.420 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000249757015 432356681 /nfs/dbraw/zinc/35/66/81/432356681.db2.gz INPUSUWPYUFAKY-KGLIPLIRSA-N 1 0 307.463 3.079 10 0 DGAERO CCc1csc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(CC)CC)C2)n1 ZINC000249854075 432359455 /nfs/dbraw/zinc/35/94/55/432359455.db2.gz CTFCVWVMCRDOEO-KGLIPLIRSA-N 1 0 323.506 3.142 10 0 DGAERO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cocn1 ZINC000192326614 432360381 /nfs/dbraw/zinc/36/03/81/432360381.db2.gz ACUPMWYEHFOYJD-VIFPVBQESA-N 1 0 313.170 3.297 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000249882187 432360803 /nfs/dbraw/zinc/36/08/03/432360803.db2.gz NXTLWHKIJCLXDW-KGLIPLIRSA-N 1 0 302.397 3.378 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](C[C@@H](O)c3ccccc3)C2)n1 ZINC000249872791 432360834 /nfs/dbraw/zinc/36/08/34/432360834.db2.gz KKYJVTSAFHIESO-JKSUJKDBSA-N 1 0 302.443 3.365 10 0 DGAERO Fc1ccc(-c2nc(C[NH2+][C@H]3C[C@H]4CC[C@@H]3O4)cs2)cc1 ZINC000152836440 432361191 /nfs/dbraw/zinc/36/11/91/432361191.db2.gz YNDMNWKUSGQZGG-ILXRZTDVSA-N 1 0 304.390 3.359 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000249920656 432362989 /nfs/dbraw/zinc/36/29/89/432362989.db2.gz YRSIZOFSLJJWSU-HIFRSBDPSA-N 1 0 302.397 3.378 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000250214616 432365262 /nfs/dbraw/zinc/36/52/62/432365262.db2.gz NTNPPQKBUHGRHD-VNQPRFMTSA-N 1 0 324.262 3.057 10 0 DGAERO CCCCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c(Cl)c1 ZINC000184212705 432367247 /nfs/dbraw/zinc/36/72/47/432367247.db2.gz OOLRLOKDHBJIFK-ZDUSSCGKSA-N 1 0 324.852 3.343 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250425202 432367724 /nfs/dbraw/zinc/36/77/24/432367724.db2.gz FRZJOAVURNWPTH-GVDBMIGSSA-N 1 0 318.848 3.140 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000184225705 432368402 /nfs/dbraw/zinc/36/84/02/432368402.db2.gz VKYNQBPTVGPEIQ-UHFFFAOYSA-N 1 0 313.392 3.155 10 0 DGAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000174745163 432368867 /nfs/dbraw/zinc/36/88/67/432368867.db2.gz CJJIIZDPIRTVID-DZKIICNBSA-N 1 0 323.506 3.475 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1cccc(Cl)c1 ZINC000251743588 432370760 /nfs/dbraw/zinc/37/07/60/432370760.db2.gz QSUIDQNWUGAZTI-BRWVUGGUSA-N 1 0 319.836 3.343 10 0 DGAERO CN(Cc1cccc2c1NCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545989 432431086 /nfs/dbraw/zinc/43/10/86/432431086.db2.gz GPKOPCCKBCNWCA-FQEVSTJZSA-N 1 0 321.468 3.361 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000153696976 432434122 /nfs/dbraw/zinc/43/41/22/432434122.db2.gz AOHMRPQKBVZMRL-CRAIPNDOSA-N 1 0 318.461 3.191 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000175433613 432435415 /nfs/dbraw/zinc/43/54/15/432435415.db2.gz KEAUWJMHUJZAHP-PBHICJAKSA-N 1 0 321.440 3.258 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000175425085 432435621 /nfs/dbraw/zinc/43/56/21/432435621.db2.gz RQIGXNGQJQCCBW-PXNSSMCTSA-N 1 0 324.468 3.127 10 0 DGAERO CSCc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000184815122 432436836 /nfs/dbraw/zinc/43/68/36/432436836.db2.gz OSAVCECZJFWIFS-UKRRQHHQSA-N 1 0 319.474 3.250 10 0 DGAERO CC1CC[NH+](CCN2C[C@H](c3ccccc3)OC[C@@H]2C)CC1 ZINC000153732497 432437224 /nfs/dbraw/zinc/43/72/24/432437224.db2.gz UOJOEAYBQLCKSA-PKOBYXMFSA-N 1 0 302.462 3.180 10 0 DGAERO Nc1cc[nH+]cc1-c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000261731948 432444095 /nfs/dbraw/zinc/44/40/95/432444095.db2.gz LQNAPYZGRWKNKS-UHFFFAOYSA-N 1 0 321.384 3.371 10 0 DGAERO CCC(CC)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175515232 432444159 /nfs/dbraw/zinc/44/41/59/432444159.db2.gz BZKDUKRJVAHQDC-UHFFFAOYSA-N 1 0 317.477 3.481 10 0 DGAERO CC(C)(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1 ZINC000261731543 432444807 /nfs/dbraw/zinc/44/48/07/432444807.db2.gz HSVFXQPOMCYVHD-OKILXGFUSA-N 1 0 320.864 3.076 10 0 DGAERO CCc1ccc(C[NH+]2CCN(Cc3cccc(N)c3)CC2)s1 ZINC000261738799 432445578 /nfs/dbraw/zinc/44/55/78/432445578.db2.gz UIVVMUKGGJHGJR-UHFFFAOYSA-N 1 0 315.486 3.211 10 0 DGAERO C[C@H]1C[N@H+](Cc2cccc(N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000261746289 432445742 /nfs/dbraw/zinc/44/57/42/432445742.db2.gz VLXDLIYFDBSQMD-SCLBCKFNSA-N 1 0 300.377 3.370 10 0 DGAERO CCOC(=O)CCCC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000175535855 432446402 /nfs/dbraw/zinc/44/64/02/432446402.db2.gz PHLOATGILKPOEB-UHFFFAOYSA-N 1 0 310.463 3.187 10 0 DGAERO CC(C)[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175534683 432446981 /nfs/dbraw/zinc/44/69/81/432446981.db2.gz AIEUOBGKNGEUCO-INIZCTEOSA-N 1 0 317.477 3.337 10 0 DGAERO Fc1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c(Cl)c1Cl ZINC000261762722 432447552 /nfs/dbraw/zinc/44/75/52/432447552.db2.gz DDIDPHHQMJMCES-LLVKDONJSA-N 1 0 303.208 3.459 10 0 DGAERO CC(C)C[C@@H](C)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000184950924 432447747 /nfs/dbraw/zinc/44/77/47/432447747.db2.gz MJIPYJMIMGPQGW-QGZVFWFLSA-N 1 0 324.509 3.020 10 0 DGAERO CN(Cc1ccc(OC(F)(F)F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261756232 432447965 /nfs/dbraw/zinc/44/79/65/432447965.db2.gz KRGIBILZNDIFDC-CQSZACIVSA-N 1 0 302.340 3.017 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000184940237 432448214 /nfs/dbraw/zinc/44/82/14/432448214.db2.gz JYFWFSMRLSFZRI-FGTMMUONSA-N 1 0 300.446 3.059 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000184963633 432449482 /nfs/dbraw/zinc/44/94/82/432449482.db2.gz QRRPZFBDZAKKBN-MSOLQXFVSA-N 1 0 300.446 3.191 10 0 DGAERO CC[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1nccs1 ZINC000185006011 432455227 /nfs/dbraw/zinc/45/52/27/432455227.db2.gz BCSCMWOJRJUEKV-CYBMUJFWSA-N 1 0 324.494 3.015 10 0 DGAERO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185027451 432457059 /nfs/dbraw/zinc/45/70/59/432457059.db2.gz CDQBMUGMKATLSF-SUMWQHHRSA-N 1 0 302.422 3.476 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000193218962 432457965 /nfs/dbraw/zinc/45/79/65/432457965.db2.gz SCQSHUUBTBTUAW-LSDHHAIUSA-N 1 0 316.470 3.455 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2nc(N(C)C)no2)o1 ZINC000192734809 432408045 /nfs/dbraw/zinc/40/80/45/432408045.db2.gz XZEIRENMZQLVEI-AAEUAGOBSA-N 1 0 304.394 3.010 10 0 DGAERO CN(C)c1noc(C[N@@H+]2CCC[C@H]2CCCc2ccccc2)n1 ZINC000192747386 432409479 /nfs/dbraw/zinc/40/94/79/432409479.db2.gz GZMRSIURNGVSGJ-MRXNPFEDSA-N 1 0 314.433 3.123 10 0 DGAERO COc1ccccc1/C=C\C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000255516374 432410724 /nfs/dbraw/zinc/41/07/24/432410724.db2.gz ILQRAIPAQDKUAJ-QBUQCISBSA-N 1 0 309.409 3.300 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1COc2ccccc21 ZINC000175197210 432410946 /nfs/dbraw/zinc/41/09/46/432410946.db2.gz QRWNHVORHXOEQW-SFHVURJKSA-N 1 0 322.408 3.397 10 0 DGAERO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000175239909 432413139 /nfs/dbraw/zinc/41/31/39/432413139.db2.gz JTPLODRVDFZCLJ-STQMWFEESA-N 1 0 302.422 3.256 10 0 DGAERO c1cc([C@H]2CCCN2CCC[NH+]2CCCC2)cc2c1OCO2 ZINC000153480793 432413450 /nfs/dbraw/zinc/41/34/50/432413450.db2.gz SZPITWVXWUQGFG-MRXNPFEDSA-N 1 0 302.418 3.038 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175229365 432414138 /nfs/dbraw/zinc/41/41/38/432414138.db2.gz DNTLJKLTQTTZCS-OCCSQVGLSA-N 1 0 323.412 3.171 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)O1 ZINC000184629968 432414380 /nfs/dbraw/zinc/41/43/80/432414380.db2.gz RODUMCOZLYEKQI-GOSISDBHSA-N 1 0 302.462 3.198 10 0 DGAERO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184625794 432415180 /nfs/dbraw/zinc/41/51/80/432415180.db2.gz LCORYEBULYPMSG-NSHDSACASA-N 1 0 324.446 3.032 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(Cl)cc1 ZINC000192811596 432416355 /nfs/dbraw/zinc/41/63/55/432416355.db2.gz ZFOZQWCBJGERDJ-CJNGLKHVSA-N 1 0 316.836 3.450 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCCC1 ZINC000184648356 432416444 /nfs/dbraw/zinc/41/64/44/432416444.db2.gz RTYMRQDQQXLBKZ-LLVKDONJSA-N 1 0 305.809 3.016 10 0 DGAERO Cc1ccsc1C(=O)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000257179887 432416998 /nfs/dbraw/zinc/41/69/98/432416998.db2.gz DABOJWUKRKBSLS-OAHLLOKOSA-N 1 0 306.475 3.395 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(F)c(F)c1 ZINC000192811940 432416981 /nfs/dbraw/zinc/41/69/81/432416981.db2.gz BEUAMPWCAXXYDR-OCCSQVGLSA-N 1 0 318.371 3.074 10 0 DGAERO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(Cl)c1F)CC2 ZINC000184656923 432417205 /nfs/dbraw/zinc/41/72/05/432417205.db2.gz FDUQEPPHQYUQSE-MWLCHTKSSA-N 1 0 308.788 3.045 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]c2cc(F)ccc12 ZINC000192876406 432425922 /nfs/dbraw/zinc/42/59/22/432425922.db2.gz AXMXLMMXPUHQBO-CYBMUJFWSA-N 1 0 317.408 3.301 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1csc(-c2ccccn2)n1 ZINC000175343675 432426120 /nfs/dbraw/zinc/42/61/20/432426120.db2.gz PKJBJSPJPWTCPJ-HNNXBMFYSA-N 1 0 316.474 3.121 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccnn1C ZINC000192911787 432427442 /nfs/dbraw/zinc/42/74/42/432427442.db2.gz MOKFBHGGPJBCNP-CYBMUJFWSA-N 1 0 315.417 3.226 10 0 DGAERO CC[NH2+]CC1CCN(Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000262074448 432473983 /nfs/dbraw/zinc/47/39/83/432473983.db2.gz DCBRAKCZBBHDSW-UHFFFAOYSA-N 1 0 321.412 3.292 10 0 DGAERO CCOc1ccccc1CCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262127104 432475052 /nfs/dbraw/zinc/47/50/52/432475052.db2.gz XVSYUDAVLYJDIM-UHFFFAOYSA-N 1 0 323.396 3.379 10 0 DGAERO CN1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000154652863 432512280 /nfs/dbraw/zinc/51/22/80/432512280.db2.gz PEQYEGQJNYUEPK-SWLSCSKDSA-N 1 0 314.351 3.256 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000185196007 432476678 /nfs/dbraw/zinc/47/66/78/432476678.db2.gz WIOCXJAOXQOWDM-DLBZAZTESA-N 1 0 320.502 3.368 10 0 DGAERO CC(C)O[C@@H]1C[C@H]([NH2+]CCCc2nc(C(C)C)no2)C1(C)C ZINC000185214624 432477737 /nfs/dbraw/zinc/47/77/37/432477737.db2.gz IPHZUBCXSHGLNQ-UONOGXRCSA-N 1 0 309.454 3.307 10 0 DGAERO CCC1(CC)CN(CCc2ccc(F)c(F)c2)CC[S@@]1=O ZINC000185224562 432478975 /nfs/dbraw/zinc/47/89/75/432478975.db2.gz XUMZYCIZTKMDCO-NRFANRHFSA-N 1 0 315.429 3.130 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3csc(-c4ccccc4)n3)C[C@@H]21 ZINC000262289257 432480167 /nfs/dbraw/zinc/48/01/67/432480167.db2.gz NAHWMJVZFHGNAJ-BHYGNILZSA-N 1 0 313.470 3.369 10 0 DGAERO C[C@@H](CNC(=O)C/C=C/c1cccc(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000175989857 432483177 /nfs/dbraw/zinc/48/31/77/432483177.db2.gz XTZJORSYJDCPJD-VFXWJFPTSA-N 1 0 318.436 3.466 10 0 DGAERO CC(C)C[C@H](C)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000185271328 432484578 /nfs/dbraw/zinc/48/45/78/432484578.db2.gz BMJLSNUSOTUYSG-INIZCTEOSA-N 1 0 317.477 3.055 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C/C=C/c1cccc(F)c1 ZINC000175993770 432484955 /nfs/dbraw/zinc/48/49/55/432484955.db2.gz YJMRHWGTWXYYQT-SBJJXXPASA-N 1 0 304.409 3.220 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1C[C@@H]1C(C)C ZINC000185284079 432485523 /nfs/dbraw/zinc/48/55/23/432485523.db2.gz VBJDWHHDOTWLCT-MSOLQXFVSA-N 1 0 302.462 3.389 10 0 DGAERO CN(Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000262460473 432486253 /nfs/dbraw/zinc/48/62/53/432486253.db2.gz IMZKPWZNNDPLMO-MRXNPFEDSA-N 1 0 303.381 3.055 10 0 DGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N(CCC(F)(F)F)CC1CC1 ZINC000262450947 432486478 /nfs/dbraw/zinc/48/64/78/432486478.db2.gz FMLVQDWATXEQGE-MJBXVCDLSA-N 1 0 318.383 3.098 10 0 DGAERO Fc1ccc(C2(CNC3=[NH+]CCCN3)CCCC2)c(Cl)c1 ZINC000262438342 432486679 /nfs/dbraw/zinc/48/66/79/432486679.db2.gz MLICPGUNFVFVPY-UHFFFAOYSA-N 1 0 309.816 3.230 10 0 DGAERO CC(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(C)o2)c1 ZINC000193634473 432487234 /nfs/dbraw/zinc/48/72/34/432487234.db2.gz SSTWUZHUTIZEIF-GFCCVEGCSA-N 1 0 300.358 3.080 10 0 DGAERO Cc1ccc(CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC000176051916 432489528 /nfs/dbraw/zinc/48/95/28/432489528.db2.gz KNULJQCFFWCNQD-ZFWWWQNUSA-N 1 0 306.475 3.074 10 0 DGAERO C[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262547072 432489616 /nfs/dbraw/zinc/48/96/16/432489616.db2.gz ODTKLOLUMUYOKG-BXUZGUMPSA-N 1 0 314.351 3.354 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262573361 432491693 /nfs/dbraw/zinc/49/16/93/432491693.db2.gz XRKAJDQOOWMKRU-RVSPLBMKSA-N 1 0 322.836 3.119 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000185341528 432492367 /nfs/dbraw/zinc/49/23/67/432492367.db2.gz SCKNXCPXKYNKGU-OAHLLOKOSA-N 1 0 324.490 3.299 10 0 DGAERO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000262594191 432493185 /nfs/dbraw/zinc/49/31/85/432493185.db2.gz WUSPQLBOGMQARX-VKJFTORMSA-N 1 0 300.446 3.150 10 0 DGAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000185352506 432493769 /nfs/dbraw/zinc/49/37/69/432493769.db2.gz SZXJNMPJAZEALU-ZIAGYGMSSA-N 1 0 317.401 3.070 10 0 DGAERO CSCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176119475 432494861 /nfs/dbraw/zinc/49/48/61/432494861.db2.gz IXEVFRVZJAUTTG-DOTOQJQBSA-N 1 0 320.502 3.299 10 0 DGAERO CC1CCC(OC2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000262647539 432495753 /nfs/dbraw/zinc/49/57/53/432495753.db2.gz STKIMUWRWBPVNG-VUROTCPHSA-N 1 0 322.493 3.090 10 0 DGAERO CC(C)Cc1ccc([C@H](C)NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000176142400 432496071 /nfs/dbraw/zinc/49/60/71/432496071.db2.gz TZGYXKURENUBLX-HNNXBMFYSA-N 1 0 305.466 3.149 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000185379624 432496227 /nfs/dbraw/zinc/49/62/27/432496227.db2.gz PMDSXFQPJXXUJO-IAGOWNOFSA-N 1 0 304.434 3.248 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000176190990 432500079 /nfs/dbraw/zinc/50/00/79/432500079.db2.gz KQFLNEHGSQSZIS-HIFRSBDPSA-N 1 0 318.417 3.109 10 0 DGAERO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(C)n1C1CCCCC1 ZINC000262763759 432501145 /nfs/dbraw/zinc/50/11/45/432501145.db2.gz KVPUXJQFXMDJDS-FZKQIMNGSA-N 1 0 317.477 3.338 10 0 DGAERO CSc1ccc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000193815575 432501305 /nfs/dbraw/zinc/50/13/05/432501305.db2.gz MOKWPARQDXYVRP-OAHLLOKOSA-N 1 0 323.506 3.184 10 0 DGAERO CN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193833864 432502618 /nfs/dbraw/zinc/50/26/18/432502618.db2.gz UIWXQIYLBSYFOE-UHFFFAOYSA-N 1 0 321.440 3.230 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCC2(C[NH+](C)C)CCCC2)o1 ZINC000185474977 432503338 /nfs/dbraw/zinc/50/33/38/432503338.db2.gz WZGWICFYQPBSJH-AWEZNQCLSA-N 1 0 307.438 3.070 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000262811778 432503467 /nfs/dbraw/zinc/50/34/67/432503467.db2.gz OTGOAUKUDKDQIG-RDTXWAMCSA-N 1 0 300.446 3.462 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(Cl)cc1F ZINC000176259264 432503726 /nfs/dbraw/zinc/50/37/26/432503726.db2.gz GOWCLVJLDFTBLS-LBPRGKRZSA-N 1 0 313.804 3.427 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000262844543 432505558 /nfs/dbraw/zinc/50/55/58/432505558.db2.gz RPQVTFORWAPXIW-GUYCJALGSA-N 1 0 314.454 3.046 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000185057364 432460316 /nfs/dbraw/zinc/46/03/16/432460316.db2.gz IBUXYCYOCQCSIA-KBPBESRZSA-N 1 0 310.401 3.357 10 0 DGAERO C[C@H](OC1CCCCCC1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000154000317 432462958 /nfs/dbraw/zinc/46/29/58/432462958.db2.gz SBEBDFSSZITYDU-INIZCTEOSA-N 1 0 322.493 3.201 10 0 DGAERO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261948950 432464611 /nfs/dbraw/zinc/46/46/11/432464611.db2.gz NZTWGUVVMJYKAF-QRQLOZEOSA-N 1 0 316.489 3.019 10 0 DGAERO CC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000193335254 432466543 /nfs/dbraw/zinc/46/65/43/432466543.db2.gz FHEZYWGOINAGJS-VQTJNVASSA-N 1 0 324.468 3.469 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000176330096 432512131 /nfs/dbraw/zinc/51/21/31/432512131.db2.gz BYSNMRJGMSOBKI-BUHFOSPRSA-N 1 0 304.409 3.077 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1c[nH]nc1-c1ccccc1 ZINC000262029378 432470726 /nfs/dbraw/zinc/47/07/26/432470726.db2.gz NWMZRRLDSKKDSL-UHFFFAOYSA-N 1 0 320.440 3.080 10 0 DGAERO CC[C@@H]([NH2+]CCC(=O)NC(C)C)c1nc(C(F)(F)F)cs1 ZINC000185964543 432550123 /nfs/dbraw/zinc/55/01/23/432550123.db2.gz VXFMKRPDLAUPKT-SECBINFHSA-N 1 0 323.384 3.117 10 0 DGAERO C[C@@H](CCC(C)(C)C)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263500442 432550126 /nfs/dbraw/zinc/55/01/26/432550126.db2.gz KRBVVJOQACUJCF-JEYLPNPQSA-N 1 0 310.482 3.118 10 0 DGAERO Cc1ccc(-c2ccc(CN[C@@H]3CCCn4ncnc43)o2)cc1 ZINC000176800327 432553505 /nfs/dbraw/zinc/55/35/05/432553505.db2.gz BGYBYJWBSPRYHX-MRXNPFEDSA-N 1 0 308.385 3.471 10 0 DGAERO CN1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)[C@@H]1c1ccc(Cl)cc1 ZINC000194530126 432558050 /nfs/dbraw/zinc/55/80/50/432558050.db2.gz KAJGUBRXFRLCDA-ULQDDVLXSA-N 1 0 306.837 3.368 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+]C[C@H](O)c1ccccc1OC ZINC000186120028 432560767 /nfs/dbraw/zinc/56/07/67/432560767.db2.gz ONMVVFHHLMZAGI-AAEUAGOBSA-N 1 0 307.415 3.150 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC000176361703 432515485 /nfs/dbraw/zinc/51/54/85/432515485.db2.gz HAQCFPXMKWYKMC-CQSZACIVSA-N 1 0 304.463 3.356 10 0 DGAERO Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)Cc2ccccc2)o1 ZINC000194021241 432517051 /nfs/dbraw/zinc/51/70/51/432517051.db2.gz LTFIYYFBWLUFIG-CABCVRRESA-N 1 0 300.402 3.286 10 0 DGAERO Cc1ccc(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)c(C)n1 ZINC000263056901 432517370 /nfs/dbraw/zinc/51/73/70/432517370.db2.gz XQFIHUFWMIMAOO-UHFFFAOYSA-N 1 0 323.318 3.428 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000185637050 432519076 /nfs/dbraw/zinc/51/90/76/432519076.db2.gz BKAGTUUEUSYJNI-OAHLLOKOSA-N 1 0 300.402 3.153 10 0 DGAERO Cc1ccc(CN(C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000194069200 432521701 /nfs/dbraw/zinc/52/17/01/432521701.db2.gz LHTOUTZSMCEBGJ-GASCZTMLSA-N 1 0 321.465 3.097 10 0 DGAERO CCn1ccnc1CS(=O)(=O)[C@H]1CCc2c1cccc2Cl ZINC000154840234 432524669 /nfs/dbraw/zinc/52/46/69/432524669.db2.gz VEEJMKCJOJEOFP-AWEZNQCLSA-N 1 0 324.833 3.159 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000194173602 432529511 /nfs/dbraw/zinc/52/95/11/432529511.db2.gz HROFWRRTGMXVNT-WBVHZDCISA-N 1 0 317.477 3.242 10 0 DGAERO Cc1sc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])nc1C(C)C ZINC000263276873 432530029 /nfs/dbraw/zinc/53/00/29/432530029.db2.gz SYZYGTUXLCJQHN-MLGOLLRUSA-N 1 0 309.479 3.099 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(Cl)s1 ZINC000194190650 432531106 /nfs/dbraw/zinc/53/11/06/432531106.db2.gz OZBDCQPZAGJNIR-LLVKDONJSA-N 1 0 317.886 3.177 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cccnc1C ZINC000154960614 432532166 /nfs/dbraw/zinc/53/21/66/432532166.db2.gz XAIUTHAOMQSQES-HNNXBMFYSA-N 1 0 312.413 3.201 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194303564 432540002 /nfs/dbraw/zinc/54/00/02/432540002.db2.gz CIXFFRDFJNDRFD-UHFFFAOYSA-N 1 0 314.433 3.411 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194339633 432542644 /nfs/dbraw/zinc/54/26/44/432542644.db2.gz XNDIMMWZMZUQGL-ZDUSSCGKSA-N 1 0 323.444 3.148 10 0 DGAERO Clc1ccsc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000194376231 432546024 /nfs/dbraw/zinc/54/60/24/432546024.db2.gz FJUWGAAODGGOEY-ZDUSSCGKSA-N 1 0 314.882 3.088 10 0 DGAERO C[C@H](C[NH2+][C@H](C)C1(c2ccccc2)CCCC1)CS(C)(=O)=O ZINC000185949700 432547347 /nfs/dbraw/zinc/54/73/47/432547347.db2.gz KQMVESMFSXJHOG-HZPDHXFCSA-N 1 0 323.502 3.157 10 0 DGAERO Cc1ccc2c(CC[NH2+]Cc3c(Cl)cnn3C)cn(C)c2c1 ZINC000186546217 432605491 /nfs/dbraw/zinc/60/54/91/432605491.db2.gz UJJNOPVVKSVNPR-UHFFFAOYSA-N 1 0 316.836 3.206 10 0 DGAERO Cc1ccccc1CC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000195118687 432605597 /nfs/dbraw/zinc/60/55/97/432605597.db2.gz WUCHCQXVVJKRLF-UHFFFAOYSA-N 1 0 312.438 3.241 10 0 DGAERO CCOC(C)(C)C[NH2+]Cc1ccc(Br)cc1OC ZINC000186537592 432605979 /nfs/dbraw/zinc/60/59/79/432605979.db2.gz YAWLCIKOYKRNQP-UHFFFAOYSA-N 1 0 316.239 3.362 10 0 DGAERO c1csc([C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)c2ncc[nH]2)c1 ZINC000195118558 432606081 /nfs/dbraw/zinc/60/60/81/432606081.db2.gz RFCPWLYMZHXYJP-YDHLFZDLSA-N 1 0 303.431 3.108 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000177274838 432606161 /nfs/dbraw/zinc/60/61/61/432606161.db2.gz DMVVXFNZZKZIOF-DZGCQCFKSA-N 1 0 314.433 3.076 10 0 DGAERO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nnnn1C(C)C ZINC000195120717 432606282 /nfs/dbraw/zinc/60/62/82/432606282.db2.gz DBBDBXZTQYYRRU-IAGOWNOFSA-N 1 0 313.449 3.412 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)NCc2cccs2)cc1 ZINC000156858928 432609777 /nfs/dbraw/zinc/60/97/77/432609777.db2.gz DAVLMQIIDRIJQA-HNNXBMFYSA-N 1 0 316.470 3.236 10 0 DGAERO CCCCOC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000195214259 432612595 /nfs/dbraw/zinc/61/25/95/432612595.db2.gz KWQKVGZPKNXHOH-AWEZNQCLSA-N 1 0 313.388 3.111 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000156946118 432612792 /nfs/dbraw/zinc/61/27/92/432612792.db2.gz AFPLUQILCVHAOS-MSOLQXFVSA-N 1 0 300.446 3.123 10 0 DGAERO C[C@]1(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)CCCS1 ZINC000155652893 432565580 /nfs/dbraw/zinc/56/55/80/432565580.db2.gz RUZKXZQDRAJLGU-ZIAGYGMSSA-N 1 0 301.521 3.307 10 0 DGAERO Cc1cccc(NC(=O)CN2Cc3ccccc3C3(CC3)C2)c1 ZINC000186188797 432567033 /nfs/dbraw/zinc/56/70/33/432567033.db2.gz PEDBAYUDVFMIDN-UHFFFAOYSA-N 1 0 306.409 3.481 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C12CCOCC2 ZINC000186196101 432567793 /nfs/dbraw/zinc/56/77/93/432567793.db2.gz LXXBLHRNEYHBJS-RRQGHBQHSA-N 1 0 307.409 3.451 10 0 DGAERO CCSc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000155674180 432568008 /nfs/dbraw/zinc/56/80/08/432568008.db2.gz WTCYMJTUTCTASJ-QEJZJMRPSA-N 1 0 306.475 3.493 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1nc(C2CC2)cs1 ZINC000155719578 432569104 /nfs/dbraw/zinc/56/91/04/432569104.db2.gz HXWKJKYRHMNRFI-CYBMUJFWSA-N 1 0 322.478 3.262 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1SCCc2sccc21 ZINC000176973394 432570617 /nfs/dbraw/zinc/57/06/17/432570617.db2.gz QKCWXDDYYBUEPY-WFASDCNBSA-N 1 0 324.515 3.021 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1sccc1-n1cccc1 ZINC000176965194 432570957 /nfs/dbraw/zinc/57/09/57/432570957.db2.gz BVGYAZPWTBWMOI-CQSZACIVSA-N 1 0 317.458 3.095 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1 ZINC000194734952 432571897 /nfs/dbraw/zinc/57/18/97/432571897.db2.gz VLZPJCWIBVTGHQ-HNNXBMFYSA-N 1 0 310.397 3.303 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000176992558 432572014 /nfs/dbraw/zinc/57/20/14/432572014.db2.gz LGMMSVZJURYYHO-INIZCTEOSA-N 1 0 306.425 3.046 10 0 DGAERO CCCN(C)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000176991342 432572516 /nfs/dbraw/zinc/57/25/16/432572516.db2.gz FQTRMSWXFNIGKE-SFHVURJKSA-N 1 0 317.477 3.089 10 0 DGAERO Cc1ccc(CCCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000155765426 432573499 /nfs/dbraw/zinc/57/34/99/432573499.db2.gz GRULIYIHSMUAJU-MOPGFXCFSA-N 1 0 314.473 3.260 10 0 DGAERO Cc1ccc(CCCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000155765657 432573619 /nfs/dbraw/zinc/57/36/19/432573619.db2.gz GRULIYIHSMUAJU-OALUTQOASA-N 1 0 314.473 3.260 10 0 DGAERO COc1ccc([C@H](C)CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000177012422 432574054 /nfs/dbraw/zinc/57/40/54/432574054.db2.gz KJGOCEWSGFICDD-HLLBOEOZSA-N 1 0 318.461 3.130 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(F)c(F)cc1Cl ZINC000177005818 432574362 /nfs/dbraw/zinc/57/43/62/432574362.db2.gz VVPGMGHFICTHJP-SNVBAGLBSA-N 1 0 316.779 3.175 10 0 DGAERO Cc1cccc(-c2cncc(C(=O)N3[C@H](C)CN(C)C[C@@H]3C)c2)c1 ZINC000155800526 432575342 /nfs/dbraw/zinc/57/53/42/432575342.db2.gz VJSPXIOMMBBISO-IYBDPMFKSA-N 1 0 323.440 3.222 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)c1ccccc1C ZINC000177013770 432575889 /nfs/dbraw/zinc/57/58/89/432575889.db2.gz SOBRLUSFDVQLEG-MRXNPFEDSA-N 1 0 302.462 3.215 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2sc(C)nc2C)C12CCOCC2 ZINC000186264405 432576627 /nfs/dbraw/zinc/57/66/27/432576627.db2.gz RMKGXVCOOOQKMZ-NWANDNLSSA-N 1 0 324.490 3.385 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC)cc2)C12CCOCC2 ZINC000186296711 432579745 /nfs/dbraw/zinc/57/97/45/432579745.db2.gz HQUZKTSSGUFDDS-QZTJIDSGSA-N 1 0 303.446 3.313 10 0 DGAERO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccnc1N(C)C ZINC000194849385 432581193 /nfs/dbraw/zinc/58/11/93/432581193.db2.gz HZNIDZUNFLJJMI-KRWDZBQOSA-N 1 0 311.429 3.323 10 0 DGAERO CC[NH+](CC)CCSCC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194872575 432582774 /nfs/dbraw/zinc/58/27/74/432582774.db2.gz HEHDGSWBJKRFMV-UHFFFAOYSA-N 1 0 305.447 3.181 10 0 DGAERO COc1cccc2c1CCC[C@@H]2[NH2+]CCNC(=O)c1ccccc1 ZINC000194872271 432583022 /nfs/dbraw/zinc/58/30/22/432583022.db2.gz PLQBBOOZAIJRMK-SFHVURJKSA-N 1 0 324.424 3.092 10 0 DGAERO CSc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000177085325 432583701 /nfs/dbraw/zinc/58/37/01/432583701.db2.gz TVXVMVCDBAPNJM-GXTWGEPZSA-N 1 0 305.447 3.109 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](c2ccccc2)C2CC2)CC[N@@H+]1C ZINC000156038108 432584847 /nfs/dbraw/zinc/58/48/47/432584847.db2.gz OYQYQUNNNRPOQX-JLSDUUJJSA-N 1 0 300.446 3.121 10 0 DGAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000177087442 432584934 /nfs/dbraw/zinc/58/49/34/432584934.db2.gz QXSPPLQEEFAEEG-HUUCEWRRSA-N 1 0 303.450 3.015 10 0 DGAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCOC[C@H]2C)cc1 ZINC000194948552 432588567 /nfs/dbraw/zinc/58/85/67/432588567.db2.gz NVKVDTLGOPNSPD-RHSMWYFYSA-N 1 0 304.434 3.140 10 0 DGAERO CCc1nnc(CN(C)Cc2ccc(C(F)(F)F)cc2)n1C ZINC000195020244 432594574 /nfs/dbraw/zinc/59/45/74/432594574.db2.gz MQWSXKHFALZRBS-UHFFFAOYSA-N 1 0 312.339 3.028 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2)C12CCOCC2 ZINC000186429320 432594704 /nfs/dbraw/zinc/59/47/04/432594704.db2.gz DAENXPODNZSREE-QZTJIDSGSA-N 1 0 319.445 3.067 10 0 DGAERO [NH3+]Cc1ccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1 ZINC000186444288 432596312 /nfs/dbraw/zinc/59/63/12/432596312.db2.gz GCDCSDJDNRVRNO-UHFFFAOYSA-N 1 0 312.417 3.244 10 0 DGAERO CSC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156505440 432598636 /nfs/dbraw/zinc/59/86/36/432598636.db2.gz NOUSLCGDIPBKPM-BFHYXJOUSA-N 1 0 316.511 3.363 10 0 DGAERO CCN(Cc1nnc(C)n1CC)[C@@H](C)c1cccc(OC)c1 ZINC000195077261 432600941 /nfs/dbraw/zinc/60/09/41/432600941.db2.gz GDUVWDCYAZXSIU-ZDUSSCGKSA-N 1 0 302.422 3.198 10 0 DGAERO CCN(Cc1nnc(C2CC2)n1C)[C@@H](C)c1cccc(OC)c1 ZINC000195077176 432601104 /nfs/dbraw/zinc/60/11/04/432601104.db2.gz KDDZFSOVIRVITL-ZDUSSCGKSA-N 1 0 314.433 3.284 10 0 DGAERO CC(C)(C)C[C@H](NC(=O)c1ccc(C[NH3+])cc1)C(F)(F)F ZINC000186492043 432601283 /nfs/dbraw/zinc/60/12/83/432601283.db2.gz LFMWCQVKPMHXLN-LBPRGKRZSA-N 1 0 302.340 3.242 10 0 DGAERO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000156662924 432601841 /nfs/dbraw/zinc/60/18/41/432601841.db2.gz MYCUPRYFRMGYPE-HNNXBMFYSA-N 1 0 318.852 3.461 10 0 DGAERO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186690610 432622046 /nfs/dbraw/zinc/62/20/46/432622046.db2.gz BKYMJXJWAGCTLN-JCKWVBRZSA-N 1 0 317.477 3.179 10 0 DGAERO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(C)n1C1CCCCC1 ZINC000186727073 432627068 /nfs/dbraw/zinc/62/70/68/432627068.db2.gz AWVLTHUBMJVPLD-FZKQIMNGSA-N 1 0 317.477 3.338 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000157769828 432628304 /nfs/dbraw/zinc/62/83/04/432628304.db2.gz IXEUOZQQKRUMKD-RDJZCZTQSA-N 1 0 309.498 3.329 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1C ZINC000177496059 432630526 /nfs/dbraw/zinc/63/05/26/432630526.db2.gz CYHGKUQLVHPZOO-HZPDHXFCSA-N 1 0 301.434 3.394 10 0 DGAERO CN(Cc1csc(Br)c1)CC1([NH+](C)C)CCC1 ZINC000186944440 432637615 /nfs/dbraw/zinc/63/76/15/432637615.db2.gz LQCWKCFOOTUWSX-UHFFFAOYSA-N 1 0 317.296 3.427 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000211927885 432640669 /nfs/dbraw/zinc/64/06/69/432640669.db2.gz HFQGSIUTGMULRH-NSHDSACASA-N 1 0 304.312 3.230 10 0 DGAERO CSCc1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1F ZINC000177609923 432641836 /nfs/dbraw/zinc/64/18/36/432641836.db2.gz GUTZXLXINQRAQX-CABCVRRESA-N 1 0 324.465 3.291 10 0 DGAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000177660439 432646102 /nfs/dbraw/zinc/64/61/02/432646102.db2.gz AHSZLPAMERVXBW-SFHVURJKSA-N 1 0 310.397 3.189 10 0 DGAERO CCN(C(=O)N[C@@H](C)C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159040356 432668631 /nfs/dbraw/zinc/66/86/31/432668631.db2.gz BZXFZJHHEODWEN-WMZOPIPTSA-N 1 0 317.477 3.337 10 0 DGAERO C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000107762356 282050089 /nfs/dbraw/zinc/05/00/89/282050089.db2.gz DFKPZGFLGMMALE-WOJBJXKFSA-N 1 0 322.452 3.496 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000177701398 432653200 /nfs/dbraw/zinc/65/32/00/432653200.db2.gz NWUHUCKZWFVMCB-UONOGXRCSA-N 1 0 323.868 3.083 10 0 DGAERO CCc1cnccc1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187260848 432654861 /nfs/dbraw/zinc/65/48/61/432654861.db2.gz KHFNVHHXKQFKGP-RDTXWAMCSA-N 1 0 311.429 3.065 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000177748027 432657700 /nfs/dbraw/zinc/65/77/00/432657700.db2.gz NPBHEMDONHEHEH-CQSZACIVSA-N 1 0 308.429 3.478 10 0 DGAERO c1csc(-c2cnc(CN3CC[N@@H+]4CCCC[C@@H]4C3)o2)c1 ZINC000177772344 432658893 /nfs/dbraw/zinc/65/88/93/432658893.db2.gz MDEYMRZECNVLLM-CYBMUJFWSA-N 1 0 303.431 3.073 10 0 DGAERO COC[C@@H](C)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000187412198 432662416 /nfs/dbraw/zinc/66/24/16/432662416.db2.gz QFXPENCNDJQCRY-NSHDSACASA-N 1 0 306.233 3.070 10 0 DGAERO CC(C)=CCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000159079030 432668004 /nfs/dbraw/zinc/66/80/04/432668004.db2.gz OHHFUCRIOLADMZ-AEFFLSMTSA-N 1 0 302.462 3.410 10 0 DGAERO COC[C@@H](C)C[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000187956909 432695730 /nfs/dbraw/zinc/69/57/30/432695730.db2.gz MGZBPLWUGJYGCC-LBPRGKRZSA-N 1 0 312.251 3.353 10 0 DGAERO CCOc1ccc([C@H](C)[NH2+]CC2(CCO)CC2)cc1OCC ZINC000188060342 432701724 /nfs/dbraw/zinc/70/17/24/432701724.db2.gz LZKKHXXKKDSVQL-AWEZNQCLSA-N 1 0 307.434 3.297 10 0 DGAERO CC(C)Cn1ccnc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178170489 432702309 /nfs/dbraw/zinc/70/23/09/432702309.db2.gz MGHIXDSYGLENLI-HNNXBMFYSA-N 1 0 318.465 3.132 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000188094331 432703537 /nfs/dbraw/zinc/70/35/37/432703537.db2.gz AOORQMJBOGTKRN-VXGBXAGGSA-N 1 0 316.239 3.089 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1C ZINC000178191123 432703685 /nfs/dbraw/zinc/70/36/85/432703685.db2.gz CTWWMQVEHDTTCI-IAGOWNOFSA-N 1 0 310.445 3.413 10 0 DGAERO COC[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1Br ZINC000188124991 432705195 /nfs/dbraw/zinc/70/51/95/432705195.db2.gz MWCGLDDYLOPGFI-NEPJUHHUSA-N 1 0 300.240 3.252 10 0 DGAERO Cc1ccc2ncnc(N3CCC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000265575915 432710898 /nfs/dbraw/zinc/71/08/98/432710898.db2.gz MJCSQWAZVLASEX-INIZCTEOSA-N 1 0 310.445 3.393 10 0 DGAERO CSC[C@H](O)C[NH2+][C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000188222830 432712953 /nfs/dbraw/zinc/71/29/53/432712953.db2.gz FKNBJEZLZNIEAN-GDBMZVCRSA-N 1 0 311.491 3.486 10 0 DGAERO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2cn(C)nc2C)n1 ZINC000178283150 432715475 /nfs/dbraw/zinc/71/54/75/432715475.db2.gz AKIGQIOTPQKCLP-AWEZNQCLSA-N 1 0 309.417 3.073 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000178305699 432719038 /nfs/dbraw/zinc/71/90/38/432719038.db2.gz SYVRUWOOKSLQSX-HNNXBMFYSA-N 1 0 321.371 3.458 10 0 DGAERO CCC[C@H]1CCCN(C(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC000131956121 292666204 /nfs/dbraw/zinc/66/62/04/292666204.db2.gz BLNRMLCNGNXDRH-KRWDZBQOSA-N 1 0 309.498 3.330 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000159119438 432670762 /nfs/dbraw/zinc/67/07/62/432670762.db2.gz DGAGCUFWEHXEFE-WMLDXEAASA-N 1 0 319.424 3.336 10 0 DGAERO CCCn1c(C)nnc1CN(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000159149090 432671909 /nfs/dbraw/zinc/67/19/09/432671909.db2.gz DWXCRCCZGZZXCS-HNNXBMFYSA-N 1 0 300.450 3.368 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000187648835 432673812 /nfs/dbraw/zinc/67/38/12/432673812.db2.gz ALURRQLHQGLJES-LBPRGKRZSA-N 1 0 305.340 3.138 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)s1 ZINC000177930469 432674973 /nfs/dbraw/zinc/67/49/73/432674973.db2.gz ZLUODJXLOQFTOI-ONGXEEELSA-N 1 0 306.479 3.392 10 0 DGAERO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000177934495 432675804 /nfs/dbraw/zinc/67/58/04/432675804.db2.gz SXRGYNQLFUCJAY-RISCZKNCSA-N 1 0 301.308 3.341 10 0 DGAERO COC[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000187687193 432676386 /nfs/dbraw/zinc/67/63/86/432676386.db2.gz GGRSJELIPCVNLW-OAHLLOKOSA-N 1 0 317.351 3.237 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)co2)C[C@@H](c2ccccc2)C1 ZINC000187710352 432677412 /nfs/dbraw/zinc/67/74/12/432677412.db2.gz ZSYJLIFOULYMTN-JLJPHGGASA-N 1 0 312.413 3.441 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)C12CC3CC(CC(C3)C1)C2 ZINC000187735175 432680251 /nfs/dbraw/zinc/68/02/51/432680251.db2.gz QMRXQTAPIGOGOR-HDPALTEOSA-N 1 0 302.418 3.073 10 0 DGAERO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000178020946 432684487 /nfs/dbraw/zinc/68/44/87/432684487.db2.gz OZLNBWBUSVLSDN-GOSISDBHSA-N 1 0 324.424 3.092 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187843633 432688681 /nfs/dbraw/zinc/68/86/81/432688681.db2.gz QTVFMYJSIKXCMX-SJORKVTESA-N 1 0 309.425 3.321 10 0 DGAERO C[C@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)OC(C)(C)C ZINC000225340779 432689602 /nfs/dbraw/zinc/68/96/02/432689602.db2.gz XLRQWTHUINQQDV-SECBINFHSA-N 1 0 319.858 3.189 10 0 DGAERO Cc1cccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1C ZINC000178049886 432689684 /nfs/dbraw/zinc/68/96/84/432689684.db2.gz NRSGWYWWYQXWJB-HNNXBMFYSA-N 1 0 307.401 3.130 10 0 DGAERO Cc1ccc(N2CCC[N@H+](Cc3cc4ccccc4o3)CC2)nn1 ZINC000178529246 432749404 /nfs/dbraw/zinc/74/94/04/432749404.db2.gz VFGAFBLMLOERSE-UHFFFAOYSA-N 1 0 322.412 3.244 10 0 DGAERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178538958 432750453 /nfs/dbraw/zinc/75/04/53/432750453.db2.gz UPKIOBFGGVAKKM-CYBMUJFWSA-N 1 0 317.820 3.050 10 0 DGAERO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178580597 432756047 /nfs/dbraw/zinc/75/60/47/432756047.db2.gz RMJNBUAQZAVWQW-RYUDHWBXSA-N 1 0 301.427 3.172 10 0 DGAERO CCN(Cc1cnn(C)c1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000161120249 432761294 /nfs/dbraw/zinc/76/12/94/432761294.db2.gz DOIPTWCXMNCUCI-UHFFFAOYSA-N 1 0 314.364 3.236 10 0 DGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@H]1CCCc2ccccc21 ZINC000236745765 432761878 /nfs/dbraw/zinc/76/18/78/432761878.db2.gz AOBUOAWJDDUVDE-AEFFLSMTSA-N 1 0 302.462 3.328 10 0 DGAERO CCCC[C@@H](CC)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189062281 432762578 /nfs/dbraw/zinc/76/25/78/432762578.db2.gz XFHPXDGHNXLTSP-SJORKVTESA-N 1 0 306.425 3.485 10 0 DGAERO COc1cc(-c2ccccc2)ccc1CN1CCCNC(=O)[C@@H]1C ZINC000189102343 432764023 /nfs/dbraw/zinc/76/40/23/432764023.db2.gz CLRLZFKYXTUISV-HNNXBMFYSA-N 1 0 324.424 3.073 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000178720009 432769572 /nfs/dbraw/zinc/76/95/72/432769572.db2.gz MLUNEJMPRBHUNU-NWDGAFQWSA-N 1 0 303.454 3.400 10 0 DGAERO CC(C)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000189269760 432773875 /nfs/dbraw/zinc/77/38/75/432773875.db2.gz OCYDJDPEQROMTN-AWEZNQCLSA-N 1 0 306.837 3.384 10 0 DGAERO CO[C@H]1CN(Cc2ccc(Br)s2)CC[C@@H]1C ZINC000189295925 432775196 /nfs/dbraw/zinc/77/51/96/432775196.db2.gz OALMECPHVGKMNK-ONGXEEELSA-N 1 0 304.253 3.367 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)CC[C@H]1C ZINC000189306544 432777919 /nfs/dbraw/zinc/77/79/19/432777919.db2.gz ZKNNBDYDLBGQSN-AUUYWEPGSA-N 1 0 313.445 3.346 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cccc(N)c2)cc1 ZINC000178845920 432781505 /nfs/dbraw/zinc/78/15/05/432781505.db2.gz XRWSIMRFPFWDAO-ZDUSSCGKSA-N 1 0 320.396 3.254 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 ZINC000230412581 432729340 /nfs/dbraw/zinc/72/93/40/432729340.db2.gz FHEOJQWMOCTXDJ-OLZOCXBDSA-N 1 0 323.412 3.128 10 0 DGAERO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000160613320 432732235 /nfs/dbraw/zinc/73/22/35/432732235.db2.gz DNMFVXMOJJKCMI-QMMMGPOBSA-N 1 0 306.631 3.352 10 0 DGAERO CCCn1c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc2ccccc21 ZINC000188591588 432733414 /nfs/dbraw/zinc/73/34/14/432733414.db2.gz VAYIJKIURCINKR-GJZGRUSLSA-N 1 0 313.445 3.216 10 0 DGAERO Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc(C)c1Br ZINC000232036729 432734496 /nfs/dbraw/zinc/73/44/96/432734496.db2.gz PBYRAZMZFHZKNF-QWRGUYRKSA-N 1 0 311.223 3.132 10 0 DGAERO CCOC(=O)COCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000232435822 432736151 /nfs/dbraw/zinc/73/61/51/432736151.db2.gz RMBYKHIVUFCZGK-JTQLQIEISA-N 1 0 320.216 3.224 10 0 DGAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(F)cc1Br ZINC000235203298 432742176 /nfs/dbraw/zinc/74/21/76/432742176.db2.gz FHBOWUVGDQUZKA-FKTRJACZSA-N 1 0 302.187 3.010 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)C1CCOCC1 ZINC000188743060 432744177 /nfs/dbraw/zinc/74/41/77/432744177.db2.gz JFEUZZQZYILQSF-RLLQIKCJSA-N 1 0 317.473 3.429 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000188796236 432745717 /nfs/dbraw/zinc/74/57/17/432745717.db2.gz BUQUOXUCSLPNNM-NWDGAFQWSA-N 1 0 300.358 3.231 10 0 DGAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC000178509750 432745829 /nfs/dbraw/zinc/74/58/29/432745829.db2.gz GYHCYACKEKEKCU-APWZRJJASA-N 1 0 301.478 3.462 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccncc2OC)C[C@@H]1C ZINC000188793989 432745976 /nfs/dbraw/zinc/74/59/76/432745976.db2.gz RUQVZTVDPKCISV-ZQDZILKHSA-N 1 0 320.433 3.109 10 0 DGAERO CS[C@H](C)CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162314979 432820037 /nfs/dbraw/zinc/82/00/37/432820037.db2.gz UTHBTMOTWXVXLY-CRAIPNDOSA-N 1 0 320.502 3.299 10 0 DGAERO CC(C)c1ccc(C[N@@H+](C[C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000162615430 432828669 /nfs/dbraw/zinc/82/86/69/432828669.db2.gz YHPZFMXOULCXKU-HNNXBMFYSA-N 1 0 323.502 3.455 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430386 432829278 /nfs/dbraw/zinc/82/92/78/432829278.db2.gz NOVWRILMTWODKX-DZGCQCFKSA-N 1 0 312.404 3.450 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)ccc1C ZINC000245433544 432830986 /nfs/dbraw/zinc/83/09/86/432830986.db2.gz PWGTUJBDRBFVGC-HOTGVXAUSA-N 1 0 301.434 3.394 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)C1CCC1 ZINC000267339425 432833139 /nfs/dbraw/zinc/83/31/39/432833139.db2.gz GQDYEZVEGSFKTO-CRAIPNDOSA-N 1 0 315.461 3.091 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000245457934 432833679 /nfs/dbraw/zinc/83/36/79/432833679.db2.gz CIAKRDBCFYPLCL-SJORKVTESA-N 1 0 317.477 3.490 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000245471398 432835658 /nfs/dbraw/zinc/83/56/58/432835658.db2.gz NWUHUCKZWFVMCB-KGLIPLIRSA-N 1 0 323.868 3.083 10 0 DGAERO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000162904482 432838076 /nfs/dbraw/zinc/83/80/76/432838076.db2.gz SEITXNKDZRFBKU-AWEZNQCLSA-N 1 0 304.365 3.333 10 0 DGAERO Cc1nccn1CCCC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000162906959 432838161 /nfs/dbraw/zinc/83/81/61/432838161.db2.gz DRNVPDGWFIRAMF-QFBILLFUSA-N 1 0 313.445 3.434 10 0 DGAERO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000178856965 432783777 /nfs/dbraw/zinc/78/37/77/432783777.db2.gz MQPDEMRPVKKOMO-LBPRGKRZSA-N 1 0 316.376 3.285 10 0 DGAERO CCC[C@H](C(=O)Nc1cccc(-n2nc(C)cc2C)c1)[NH+](C)C ZINC000161562890 432786049 /nfs/dbraw/zinc/78/60/49/432786049.db2.gz TYJFHGZSDJBRQM-QGZVFWFLSA-N 1 0 314.433 3.158 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H](C)c1cccc(OC(F)F)c1)[NH+](C)C ZINC000161591748 432787544 /nfs/dbraw/zinc/78/75/44/432787544.db2.gz CYVXHAQCROGWDI-FZMZJTMJSA-N 1 0 314.376 3.196 10 0 DGAERO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000189512893 432794396 /nfs/dbraw/zinc/79/43/96/432794396.db2.gz VNWOAPPFQQRVIR-STQMWFEESA-N 1 0 307.419 3.484 10 0 DGAERO CC[N@H+](CCC(=O)Nc1ccccc1F)CCc1nccs1 ZINC000179036590 432797873 /nfs/dbraw/zinc/79/78/73/432797873.db2.gz NQUDYOLNNXQJTH-UHFFFAOYSA-N 1 0 321.421 3.175 10 0 DGAERO CCC[C@@H](C(=O)Nc1cccc(OCC(F)(F)F)c1)[NH+](C)C ZINC000161794999 432798590 /nfs/dbraw/zinc/79/85/90/432798590.db2.gz NIICFUPWZLPHFU-ZDUSSCGKSA-N 1 0 318.339 3.297 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(Cl)c1F ZINC000161806347 432798646 /nfs/dbraw/zinc/79/86/46/432798646.db2.gz HRWDAABZGLJKKE-GXFFZTMASA-N 1 0 308.788 3.126 10 0 DGAERO Cn1cccc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179035373 432798642 /nfs/dbraw/zinc/79/86/42/432798642.db2.gz FJQSCPJLORFOOL-DLBZAZTESA-N 1 0 321.827 3.353 10 0 DGAERO COc1c(C[NH2+]CCCCCc2ccc(F)cc2)c(C)nn1C ZINC000189556869 432799775 /nfs/dbraw/zinc/79/97/75/432799775.db2.gz UUHBKCYADTXTAM-UHFFFAOYSA-N 1 0 319.424 3.379 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000237895716 432802835 /nfs/dbraw/zinc/80/28/35/432802835.db2.gz ZCFJPFVKFQPLQD-XJKSGUPXSA-N 1 0 320.864 3.395 10 0 DGAERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCCO[C@@H]3C)c2C1 ZINC000189621672 432804243 /nfs/dbraw/zinc/80/42/43/432804243.db2.gz RQZAIYLYDBCCMR-GDBMZVCRSA-N 1 0 316.445 3.412 10 0 DGAERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCN(C2CC2)CC1 ZINC000162011253 432807078 /nfs/dbraw/zinc/80/70/78/432807078.db2.gz GKTNZUOUPSAVOU-UHFFFAOYSA-N 1 0 317.820 3.050 10 0 DGAERO O=C(CCCCCc1cccs1)NCC[C@@H]1CCC[NH2+]C1 ZINC000237981876 432807117 /nfs/dbraw/zinc/80/71/17/432807117.db2.gz GRPALWCPJQGVFZ-HNNXBMFYSA-N 1 0 308.491 3.357 10 0 DGAERO CC[C@@]1(CO)CCC[N@@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000189652931 432807757 /nfs/dbraw/zinc/80/77/57/432807757.db2.gz ONJVCYNGVXBQIF-SFHVURJKSA-N 1 0 316.401 3.087 10 0 DGAERO Clc1cccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189656622 432807811 /nfs/dbraw/zinc/80/78/11/432807811.db2.gz MPMKZWDLFJWDSP-UHFFFAOYSA-N 1 0 316.836 3.263 10 0 DGAERO CCC[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1CCCCO1 ZINC000189660552 432808995 /nfs/dbraw/zinc/80/89/95/432808995.db2.gz FECPALAQFANSOW-GFCCVEGCSA-N 1 0 315.351 3.185 10 0 DGAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000159055363 288692772 /nfs/dbraw/zinc/69/27/72/288692772.db2.gz QSOZKVBFIWKJEX-LSDHHAIUSA-N 1 0 311.433 3.382 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000238029336 432809912 /nfs/dbraw/zinc/80/99/12/432809912.db2.gz BKYAWHCBQPSEIY-NEPJUHHUSA-N 1 0 307.463 3.258 10 0 DGAERO [NH3+]C[C@@H](NC(=O)CCCc1ccc(F)c(F)c1)C1CCCCC1 ZINC000238055797 432810236 /nfs/dbraw/zinc/81/02/36/432810236.db2.gz MXXCCEFMYHQSRT-QGZVFWFLSA-N 1 0 324.415 3.311 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2cc(O)ccc2Br)O1 ZINC000189713919 432812979 /nfs/dbraw/zinc/81/29/79/432812979.db2.gz HWJKIVNBBQTDKE-GFCCVEGCSA-N 1 0 314.223 3.202 10 0 DGAERO Cc1n[nH]cc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245738253 432860282 /nfs/dbraw/zinc/86/02/82/432860282.db2.gz LFZOMICZQTUDST-KXBFYZLASA-N 1 0 312.461 3.203 10 0 DGAERO CCC[C@H](C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C)[NH+](C)C ZINC000245805777 432864144 /nfs/dbraw/zinc/86/41/44/432864144.db2.gz PZJODVSDDUMJSQ-UWWQBHOKSA-N 1 0 318.461 3.130 10 0 DGAERO COc1cccc(CCC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245865421 432866368 /nfs/dbraw/zinc/86/63/68/432866368.db2.gz IMODGDJNLVJJBP-KZNAEPCWSA-N 1 0 303.446 3.421 10 0 DGAERO CNC(=O)[C@H]([NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)C(C)C ZINC000245885359 432867248 /nfs/dbraw/zinc/86/72/48/432867248.db2.gz ORPLVWGFQMLFGU-SLEUVZQESA-N 1 0 319.474 3.149 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(C)(C)c3ccccc3)[C@@H]2C1 ZINC000245871296 432867432 /nfs/dbraw/zinc/86/74/32/432867432.db2.gz RPSVJHADYMABRD-KURKYZTESA-N 1 0 303.446 3.233 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000245889780 432868366 /nfs/dbraw/zinc/86/83/66/432868366.db2.gz RNONDLOUUVPMQJ-YOEHRIQHSA-N 1 0 309.837 3.476 10 0 DGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)C2CCOCC2)C1 ZINC000245900152 432868425 /nfs/dbraw/zinc/86/84/25/432868425.db2.gz LBAYVKJUHGFWSL-CVEARBPZSA-N 1 0 324.509 3.066 10 0 DGAERO CCCOc1ncccc1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245911356 432869032 /nfs/dbraw/zinc/86/90/32/432869032.db2.gz PKCJPMYGVUPNCQ-BZUAXINKSA-N 1 0 304.434 3.164 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(F)c(C)c2)[C@@H](C)C1 ZINC000245914801 432869043 /nfs/dbraw/zinc/86/90/43/432869043.db2.gz VXLPWANBNJWYLD-HOCLYGCPSA-N 1 0 306.425 3.245 10 0 DGAERO Cc1c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccccc1F ZINC000245942050 432871311 /nfs/dbraw/zinc/87/13/11/432871311.db2.gz JXUIIBFLMKZGQS-GXTWGEPZSA-N 1 0 302.397 3.214 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000245954709 432872121 /nfs/dbraw/zinc/87/21/21/432872121.db2.gz QIENNAUCUXVZFA-RBSFLKMASA-N 1 0 306.475 3.103 10 0 DGAERO COc1ccccc1O[C@H](C)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245945935 432872355 /nfs/dbraw/zinc/87/23/55/432872355.db2.gz VSSUAXBJZSQFIB-DTTOXWODSA-N 1 0 319.445 3.256 10 0 DGAERO C[C@@H]1COCCN1CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000245989212 432874009 /nfs/dbraw/zinc/87/40/09/432874009.db2.gz HSACYUOOZQJTLP-DYVFJYSZSA-N 1 0 308.853 3.101 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)cc(F)c1 ZINC000245986010 432874273 /nfs/dbraw/zinc/87/42/73/432874273.db2.gz CBLXXVZUDJWSAF-HOTGVXAUSA-N 1 0 305.397 3.225 10 0 DGAERO C[C@H](OC1CCCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246011793 432874779 /nfs/dbraw/zinc/87/47/79/432874779.db2.gz LIMNYVRNGJZGPR-PMPSAXMXSA-N 1 0 310.482 3.055 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2OC)[C@@H](C)C1 ZINC000246038678 432874993 /nfs/dbraw/zinc/87/49/93/432874993.db2.gz OOQCUPCUQWOJIM-SWLSCSKDSA-N 1 0 323.412 3.028 10 0 DGAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)O1 ZINC000246054296 432875183 /nfs/dbraw/zinc/87/51/83/432875183.db2.gz QJUWRHSFRNQOOH-RKVPGOIHSA-N 1 0 316.445 3.425 10 0 DGAERO Cc1nn(-c2ccccc2)cc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245538888 432841311 /nfs/dbraw/zinc/84/13/11/432841311.db2.gz KOMKANMBHUOQOC-RTBURBONSA-N 1 0 311.429 3.324 10 0 DGAERO CCCOc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1OC ZINC000245556336 432845445 /nfs/dbraw/zinc/84/54/45/432845445.db2.gz JARXGDXYKNHZMJ-KRWDZBQOSA-N 1 0 318.461 3.154 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000163212079 432846180 /nfs/dbraw/zinc/84/61/80/432846180.db2.gz PBKCIADSAMKAPL-GHMZBOCLSA-N 1 0 303.233 3.041 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245568047 432846626 /nfs/dbraw/zinc/84/66/26/432846626.db2.gz YASDNJFXFPEJIM-IIAWOOMASA-N 1 0 322.880 3.460 10 0 DGAERO C[C@@H](C[N@H+](CCc1ccccc1)C1CCCC1)CS(C)(=O)=O ZINC000163220615 432847094 /nfs/dbraw/zinc/84/70/94/432847094.db2.gz YPEHGGNOBVAURO-INIZCTEOSA-N 1 0 323.502 3.154 10 0 DGAERO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)s1 ZINC000245589344 432847205 /nfs/dbraw/zinc/84/72/05/432847205.db2.gz GAVWDECFGIRHFG-UAXWRAGISA-N 1 0 324.490 3.105 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000163281041 432847703 /nfs/dbraw/zinc/84/77/03/432847703.db2.gz SFHVSMUOJPQOPT-AEFFLSMTSA-N 1 0 304.478 3.053 10 0 DGAERO CCOc1ccc2c(c1)[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)CCO2 ZINC000245600401 432848475 /nfs/dbraw/zinc/84/84/75/432848475.db2.gz OQACLPYPSPZBPO-GDZNZVCISA-N 1 0 305.418 3.455 10 0 DGAERO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c(Cl)cc1F ZINC000163254723 432848734 /nfs/dbraw/zinc/84/87/34/432848734.db2.gz BNKHXRXSXMYANX-GFCCVEGCSA-N 1 0 312.816 3.392 10 0 DGAERO CCCCN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245624447 432850903 /nfs/dbraw/zinc/85/09/03/432850903.db2.gz GBTRYLUEJKSUII-IRXDYDNUSA-N 1 0 303.450 3.263 10 0 DGAERO CSC[C@@H](C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163423926 432852277 /nfs/dbraw/zinc/85/22/77/432852277.db2.gz WDEAJZNNPUVQEX-CRAIPNDOSA-N 1 0 320.502 3.156 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)NC2CCCCC2)[C@H]1c1ccccc1 ZINC000245647922 432852724 /nfs/dbraw/zinc/85/27/24/432852724.db2.gz MBBMSJIBOLLPDC-DLBZAZTESA-N 1 0 301.434 3.064 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000245658761 432854337 /nfs/dbraw/zinc/85/43/37/432854337.db2.gz CXEBSCUHJPELKX-JQHSSLGASA-N 1 0 317.477 3.365 10 0 DGAERO COc1c(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)c(C)nn1C ZINC000245687115 432854938 /nfs/dbraw/zinc/85/49/38/432854938.db2.gz ATVAJBAQHHYKIV-SJCJKPOMSA-N 1 0 317.408 3.459 10 0 DGAERO Cc1cc2cc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)ccc2[nH]1 ZINC000245709817 432857843 /nfs/dbraw/zinc/85/78/43/432857843.db2.gz CEONEVVFKAANFJ-CJNGLKHVSA-N 1 0 312.417 3.177 10 0 DGAERO CC(C)n1cccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245707048 432857936 /nfs/dbraw/zinc/85/79/36/432857936.db2.gz RZPHWQJFHXPAIF-AEFFLSMTSA-N 1 0 311.429 3.244 10 0 DGAERO C[C@H]1C(=O)CC[C@H](c2nc(-c3ccn4c[nH+]cc4c3)no2)C1(C)C ZINC000289107333 432922606 /nfs/dbraw/zinc/92/26/06/432922606.db2.gz LOKUWTLAFVJFGV-SMDDNHRTSA-N 1 0 324.384 3.493 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000246174481 288783948 /nfs/dbraw/zinc/78/39/48/288783948.db2.gz BMHOLYBKEFNMDQ-XJIUQZFPSA-N 1 0 304.409 3.253 10 0 DGAERO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000154775983 292690332 /nfs/dbraw/zinc/69/03/32/292690332.db2.gz KUKVSCCPTYSITG-CABCVRRESA-N 1 0 313.445 3.438 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000247250062 292695836 /nfs/dbraw/zinc/69/58/36/292695836.db2.gz YFHPMFINGZMYKQ-MKXGPGLRSA-N 1 0 321.436 3.321 10 0 DGAERO c1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000279849511 432996223 /nfs/dbraw/zinc/99/62/23/432996223.db2.gz OXHSMRSGHDYYKM-SFHVURJKSA-N 1 0 324.472 3.180 10 0 DGAERO C/C=C\C[C@H](CO)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000349783194 433007560 /nfs/dbraw/zinc/00/75/60/433007560.db2.gz ACDBESDUZXQMGZ-XQJDBVBESA-N 1 0 303.324 3.044 10 0 DGAERO CCc1ncsc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000333192611 433039818 /nfs/dbraw/zinc/03/98/18/433039818.db2.gz SMZNXHOQBUVVCF-OCCSQVGLSA-N 1 0 322.478 3.092 10 0 DGAERO [NH3+]Cc1cccnc1NC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000333336762 433048970 /nfs/dbraw/zinc/04/89/70/433048970.db2.gz PBSZKBKTBHCBRH-CQSZACIVSA-N 1 0 302.422 3.165 10 0 DGAERO Brc1cccc2c1OCC[C@@H]2[NH2+]C1CCOCC1 ZINC000361269638 433071250 /nfs/dbraw/zinc/07/12/50/433071250.db2.gz XWMDGYWRAMPICD-ZDUSSCGKSA-N 1 0 312.207 3.041 10 0 DGAERO c1ccc(COCCCC[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000298272259 433073481 /nfs/dbraw/zinc/07/34/81/433073481.db2.gz GKUVCDNXKADKJF-UHFFFAOYSA-N 1 0 302.462 3.200 10 0 DGAERO CO[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000373054520 433079640 /nfs/dbraw/zinc/07/96/40/433079640.db2.gz HPBMZYXTFYRAAQ-YSTOQKLRSA-N 1 0 316.489 3.443 10 0 DGAERO C[C@@H]1CC(C[NH2+]Cc2ncc(Br)s2)C[C@@H](C)O1 ZINC000341476666 433082136 /nfs/dbraw/zinc/08/21/36/433082136.db2.gz YBWAGLWGCRESFG-RKDXNWHRSA-N 1 0 319.268 3.199 10 0 DGAERO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCCC23CCC3)c1 ZINC000373094660 433093224 /nfs/dbraw/zinc/09/32/24/433093224.db2.gz JVYGDCRGARIVJS-UHFFFAOYSA-N 1 0 307.459 3.177 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCCC23CCC3)C1 ZINC000373111571 433096473 /nfs/dbraw/zinc/09/64/73/433096473.db2.gz LTGPRTUGQBLAMV-IAGOWNOFSA-N 1 0 321.509 3.473 10 0 DGAERO NC(=O)N1CCC([NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000157231935 292742150 /nfs/dbraw/zinc/74/21/50/292742150.db2.gz IJIYQCRMIDEEHF-UHFFFAOYSA-N 1 0 315.461 3.093 10 0 DGAERO c1cc2c(cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)OCCO2 ZINC000341580076 433144959 /nfs/dbraw/zinc/14/49/59/433144959.db2.gz DAQIZKLJDATMOW-KRWDZBQOSA-N 1 0 317.429 3.381 10 0 DGAERO c1c(C2CC2)[nH]nc1N1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000361394052 433145761 /nfs/dbraw/zinc/14/57/61/433145761.db2.gz CTSYQMKOVJFXQH-MSOLQXFVSA-N 1 0 322.456 3.213 10 0 DGAERO O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333796200 433104269 /nfs/dbraw/zinc/10/42/69/433104269.db2.gz NHBNFGUNDHACNR-IHRRRGAJSA-N 1 0 321.852 3.027 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000157630405 292749747 /nfs/dbraw/zinc/74/97/47/292749747.db2.gz DRYMPFRNSLKMBN-HNNXBMFYSA-N 1 0 315.461 3.269 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NCCC2=CCCCC2)CC1 ZINC000157628342 292749787 /nfs/dbraw/zinc/74/97/87/292749787.db2.gz GQAPRMOVGYLNRX-UHFFFAOYSA-N 1 0 307.482 3.298 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccccc2OCC)CC1 ZINC000157649554 292750197 /nfs/dbraw/zinc/75/01/97/292750197.db2.gz YVWLXWITPBPKDQ-UHFFFAOYSA-N 1 0 319.449 3.329 10 0 DGAERO CC[N@H+](Cc1ccc(Br)cc1F)[C@H]1CCOC1 ZINC000336686470 433181387 /nfs/dbraw/zinc/18/13/87/433181387.db2.gz GGLJUTJLXSNVBN-LBPRGKRZSA-N 1 0 302.187 3.199 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000157679339 292750736 /nfs/dbraw/zinc/75/07/36/292750736.db2.gz PEWRVXGNJGMYPX-UHFFFAOYSA-N 1 0 309.498 3.329 10 0 DGAERO COC(=O)[C@@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447351116 433190892 /nfs/dbraw/zinc/19/08/92/433190892.db2.gz WSXSFVGIRWOTLL-GFCCVEGCSA-N 1 0 316.228 3.421 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000157770118 292752352 /nfs/dbraw/zinc/75/23/52/292752352.db2.gz IXEUOZQQKRUMKD-WBVHZDCISA-N 1 0 309.498 3.329 10 0 DGAERO Fc1cccc(Br)c1C[NH2+]CC[C@H]1CCOC1 ZINC000354659800 433204247 /nfs/dbraw/zinc/20/42/47/433204247.db2.gz VHWYLFUMBABEKJ-JTQLQIEISA-N 1 0 302.187 3.104 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)cn2)nc1 ZINC000425442872 433246575 /nfs/dbraw/zinc/24/65/75/433246575.db2.gz KGNIWNKBDZDYNL-MOPGFXCFSA-N 1 0 309.413 3.287 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447739795 433270341 /nfs/dbraw/zinc/27/03/41/433270341.db2.gz YIARWIYPSKUIIS-LBPRGKRZSA-N 1 0 313.800 3.297 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000361761044 433376075 /nfs/dbraw/zinc/37/60/75/433376075.db2.gz UUIDRKLRSICETG-UHFFFAOYSA-N 1 0 316.367 3.094 10 0 DGAERO C[C@@H]1CCOCC[N@@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC000374994558 433328429 /nfs/dbraw/zinc/32/84/29/433328429.db2.gz AMPVVGGILIUFJG-CYBMUJFWSA-N 1 0 308.447 3.071 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H]1COCCO1 ZINC000342043254 433428612 /nfs/dbraw/zinc/42/86/12/433428612.db2.gz KGOWEHNJVHRLIK-WASHYIJTSA-N 1 0 315.335 3.114 10 0 DGAERO C[C@H]1CC[N@H+](CCC(=O)Nc2cccnc2)[C@H](c2ccco2)C1 ZINC000361834832 433412735 /nfs/dbraw/zinc/41/27/35/433412735.db2.gz XCPAKMWOAMDUCU-HOCLYGCPSA-N 1 0 313.401 3.476 10 0 DGAERO C[C@@H]1CC[N@H+](CCC(=O)Nc2cccnc2)[C@H](c2ccco2)C1 ZINC000361834833 433413114 /nfs/dbraw/zinc/41/31/14/433413114.db2.gz XCPAKMWOAMDUCU-ZBFHGGJFSA-N 1 0 313.401 3.476 10 0 DGAERO C[C@@H]1CCC[C@](CNc2ccccc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000301100934 433413266 /nfs/dbraw/zinc/41/32/66/433413266.db2.gz QZNAUEMNURAJTP-PBHICJAKSA-N 1 0 324.490 3.013 10 0 DGAERO C[C@H]1CCC[C@@](CNc2ccccc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000301100939 433414915 /nfs/dbraw/zinc/41/49/15/433414915.db2.gz QZNAUEMNURAJTP-WMLDXEAASA-N 1 0 324.490 3.013 10 0 DGAERO CC(C)n1cc([C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cn1 ZINC000426292850 433458277 /nfs/dbraw/zinc/45/82/77/433458277.db2.gz OCWRBIQAJCHBRJ-CQSZACIVSA-N 1 0 324.428 3.167 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000179494151 290016381 /nfs/dbraw/zinc/01/63/81/290016381.db2.gz PUPSACLOKYRGHH-LBRJOISOSA-N 1 0 308.853 3.100 10 0 DGAERO CC(C)=CCC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000159079291 292783550 /nfs/dbraw/zinc/78/35/50/292783550.db2.gz OHHFUCRIOLADMZ-SJLPKXTDSA-N 1 0 302.462 3.410 10 0 DGAERO CN1CC[C@@H]([NH2+]Cc2ccc(F)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000249424407 290146694 /nfs/dbraw/zinc/14/66/94/290146694.db2.gz FGOWXCNPQKJPLV-NVXWUHKLSA-N 1 0 321.346 3.034 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000159342457 292791357 /nfs/dbraw/zinc/79/13/57/292791357.db2.gz GPUGFMOPSQJURC-RDTXWAMCSA-N 1 0 324.440 3.320 10 0 DGAERO CN1CC[C@H]([NH2+]Cc2cc(O)cc(F)c2)[C@H]1c1ccccc1 ZINC000248627760 290221013 /nfs/dbraw/zinc/22/10/13/290221013.db2.gz FNFTUZAGFMRHAJ-ZWKOTPCHSA-N 1 0 300.377 3.066 10 0 DGAERO Cc1cncc([C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)c1 ZINC000426355148 433473273 /nfs/dbraw/zinc/47/32/73/433473273.db2.gz YHACMDVLWZZLAR-AWEZNQCLSA-N 1 0 307.397 3.093 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000355190699 433520919 /nfs/dbraw/zinc/52/09/19/433520919.db2.gz AVLQWSYPMDTWGV-DLBZAZTESA-N 1 0 311.429 3.325 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Sc1ccccc1 ZINC000362023561 433496122 /nfs/dbraw/zinc/49/61/22/433496122.db2.gz XGUARRAMVYLPNE-GDBMZVCRSA-N 1 0 306.475 3.158 10 0 DGAERO C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)c1nnc(C2CC2)s1 ZINC000414336338 433550490 /nfs/dbraw/zinc/55/04/90/433550490.db2.gz YZCJWXQPRODTBD-BFHYXJOUSA-N 1 0 307.463 3.100 10 0 DGAERO COCCN(Cc1noc(-c2ccccc2)n1)[C@H]1CC[C@@H](C)C1 ZINC000362169232 433558779 /nfs/dbraw/zinc/55/87/79/433558779.db2.gz FSWJKBAWXFMNBM-ZBFHGGJFSA-N 1 0 315.417 3.374 10 0 DGAERO c1ccc(N2CC[C@@H]([NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000282299162 433560927 /nfs/dbraw/zinc/56/09/27/433560927.db2.gz SMKHNTRETBVHRY-AEFFLSMTSA-N 1 0 300.446 3.204 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncnc2c3ccccc3oc21 ZINC000301465954 433569068 /nfs/dbraw/zinc/56/90/68/433569068.db2.gz HPXHXGZZCFIEPI-ZDUSSCGKSA-N 1 0 310.401 3.297 10 0 DGAERO CCS[C@@H]1CC[C@@]1(O)CNc1cc[nH+]c2cc(F)ccc12 ZINC000301493321 433579304 /nfs/dbraw/zinc/57/93/04/433579304.db2.gz QHNJCQNQKAAHEA-HZPDHXFCSA-N 1 0 306.406 3.432 10 0 DGAERO c1c(C2CC2)[nH]nc1N1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000426792303 433599927 /nfs/dbraw/zinc/59/99/27/433599927.db2.gz IUIKMCJMSRYKSH-LJQANCHMSA-N 1 0 322.456 3.487 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)c2nc3ccccc3s2)CC1 ZINC000165642264 292879903 /nfs/dbraw/zinc/87/99/03/292879903.db2.gz NPJFOYZIGUJFHO-UHFFFAOYSA-N 1 0 317.458 3.148 10 0 DGAERO C([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1noc2c1CCCC2 ZINC000342316184 433613435 /nfs/dbraw/zinc/61/34/35/433613435.db2.gz PVLKSOIFMPMYHZ-SOUVJXGZSA-N 1 0 304.434 3.238 10 0 DGAERO Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000376058395 433654657 /nfs/dbraw/zinc/65/46/57/433654657.db2.gz PPZNUXSRBJYHRB-HNAYVOBHSA-N 1 0 313.445 3.026 10 0 DGAERO C[C@H](C[N@H+](C)Cc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000449022380 433671922 /nfs/dbraw/zinc/67/19/22/433671922.db2.gz IPKUSOASQNSGQW-OAHLLOKOSA-N 1 0 317.454 3.326 10 0 DGAERO COc1ccc([C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)c2nccn2C)cc1 ZINC000367208525 293038103 /nfs/dbraw/zinc/03/81/03/293038103.db2.gz XCPBOGIGCZKHBJ-XOYOTBSWSA-N 1 0 311.429 3.296 10 0 DGAERO c1ccc([C@H]2CC[C@H](C[NH2+]C3CCC4(CC3)OCCO4)O2)cc1 ZINC000367322324 293054736 /nfs/dbraw/zinc/05/47/36/293054736.db2.gz PREUNFOOUZASOU-QZTJIDSGSA-N 1 0 317.429 3.182 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Br)cc1 ZINC000367504295 293080979 /nfs/dbraw/zinc/08/09/79/293080979.db2.gz BODRFDIKAPRELX-APIJFGDWSA-N 1 0 310.235 3.382 10 0 DGAERO Cc1nc2c(s1)[C@H](N(C)C(=O)CC1CC[NH+](C)CC1)CCC2 ZINC000368221430 293105278 /nfs/dbraw/zinc/10/52/78/293105278.db2.gz HXJFFJCXYYSNQJ-OAHLLOKOSA-N 1 0 321.490 3.019 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)o2)n[nH]1 ZINC000368459968 293125411 /nfs/dbraw/zinc/12/54/11/293125411.db2.gz XVYUSPRJMFLBNB-CYBMUJFWSA-N 1 0 301.390 3.251 10 0 DGAERO CC(C)c1nccc(N2CCC(COc3ccccn3)CC2)n1 ZINC000370353925 293169925 /nfs/dbraw/zinc/16/99/25/293169925.db2.gz VGTTULUKWXPCHX-UHFFFAOYSA-N 1 0 312.417 3.290 10 0 DGAERO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370525864 293175635 /nfs/dbraw/zinc/17/56/35/293175635.db2.gz ASDMFLNBZLUKPS-USYVTKNRSA-N 1 0 314.473 3.339 10 0 DGAERO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000456523627 433706878 /nfs/dbraw/zinc/70/68/78/433706878.db2.gz FKULOFFFXUKLBU-JGGQBBKZSA-N 1 0 322.399 3.011 10 0 DGAERO CC(C)c1nc([C@@H]2CCC[N@H+](C[C@H]3CCC(C)(C)O3)C2)no1 ZINC000373490599 293282064 /nfs/dbraw/zinc/28/20/64/293282064.db2.gz SMCHXCHJOSVPFZ-ZIAGYGMSSA-N 1 0 307.438 3.330 10 0 DGAERO Cc1nccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000373605788 293296433 /nfs/dbraw/zinc/29/64/33/293296433.db2.gz AJDVRZNBPLFGHJ-MSOLQXFVSA-N 1 0 315.392 3.012 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1nc2ccccc2cc1CO ZINC000301773949 433716800 /nfs/dbraw/zinc/71/68/00/433716800.db2.gz MRWTZDAJFDNIIM-QGZVFWFLSA-N 1 0 313.445 3.259 10 0 DGAERO Cc1cccc2ncnc(N3CCC([N@H+]4CCC[C@@H]4C)CC3)c12 ZINC000301781625 433720961 /nfs/dbraw/zinc/72/09/61/433720961.db2.gz NFBRIHPJNCMLOI-HNNXBMFYSA-N 1 0 310.445 3.391 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000301850563 433756786 /nfs/dbraw/zinc/75/67/86/433756786.db2.gz AXMUERYISBEYSC-GDBMZVCRSA-N 1 0 321.428 3.280 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)[C@@H](C)O1 ZINC000449155918 433724978 /nfs/dbraw/zinc/72/49/78/433724978.db2.gz CLYAARSUJQZPIR-KDEOKCCVSA-N 1 0 308.491 3.287 10 0 DGAERO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)C2)cc1 ZINC000375276157 293506185 /nfs/dbraw/zinc/50/61/85/293506185.db2.gz RMXYDAPMYKMFCK-HAGHYFMRSA-N 1 0 315.457 3.326 10 0 DGAERO C[C@@H]1CCC[C@@H](C[N@H+](C)C[C@H]2CCCN2c2cccnn2)C1 ZINC000356971868 433794530 /nfs/dbraw/zinc/79/45/30/433794530.db2.gz BPUQPDIXRHBMGD-BRWVUGGUSA-N 1 0 302.466 3.204 10 0 DGAERO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000362880307 433896764 /nfs/dbraw/zinc/89/67/64/433896764.db2.gz ZFXVAVMUFPQPQB-ZWKOTPCHSA-N 1 0 302.393 3.425 10 0 DGAERO CC[NH+](CC)CCCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000357194472 433902802 /nfs/dbraw/zinc/90/28/02/433902802.db2.gz ZVRRBQBDPDEWRV-GDBMZVCRSA-N 1 0 324.415 3.307 10 0 DGAERO CN(CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)CC(F)(F)F ZINC000436246308 433914553 /nfs/dbraw/zinc/91/45/53/433914553.db2.gz PWFURIXSHDGQLL-HUUCEWRRSA-N 1 0 300.368 3.406 10 0 DGAERO COC(=O)[C@H](CC(C)C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000352103086 433914868 /nfs/dbraw/zinc/91/48/68/433914868.db2.gz YCPBJEMPBQRWBE-SFHVURJKSA-N 1 0 319.445 3.255 10 0 DGAERO c1cc(CN2CCC3(CC[NH2+]3)CC2)cc(OC2CCCC2)c1 ZINC000422560199 433920873 /nfs/dbraw/zinc/92/08/73/433920873.db2.gz GEVDZFJOOVTPDH-UHFFFAOYSA-N 1 0 300.446 3.336 10 0 DGAERO c1sc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1[C@H]1Cc2ccccc21 ZINC000357252040 433927552 /nfs/dbraw/zinc/92/75/52/433927552.db2.gz FRTWECIDODTNRT-UKPHBRMFSA-N 1 0 312.438 3.367 10 0 DGAERO CC[N@H+](C)[C@H]1CCN(c2cc(C(C)(C)C)nc(C(C)C)n2)C1 ZINC000302838065 433880462 /nfs/dbraw/zinc/88/04/62/433880462.db2.gz YDTXACUUFRJNHK-AWEZNQCLSA-N 1 0 304.482 3.428 10 0 DGAERO C[NH+]1CCC(CC(=O)N2CCCCCc3ccccc32)CC1 ZINC000362866105 433889537 /nfs/dbraw/zinc/88/95/37/433889537.db2.gz UIIDIDKBGLWVQN-UHFFFAOYSA-N 1 0 300.446 3.478 10 0 DGAERO c1ccc([C@@H]2CCC[C@H]2[NH2+]CCCNCc2cccnc2)cc1 ZINC000414876302 433894613 /nfs/dbraw/zinc/89/46/13/433894613.db2.gz KMIPONCHDNXSAV-VQTJNVASSA-N 1 0 309.457 3.487 10 0 DGAERO c1ccc(OCCCC[NH2+]C[C@H]2NCCc3ccccc32)cc1 ZINC000414964888 433945195 /nfs/dbraw/zinc/94/51/95/433945195.db2.gz YVQCEMKCUMQCEI-HXUWFJFHSA-N 1 0 310.441 3.322 10 0 DGAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1nccc2ccccc21 ZINC000363040668 433955294 /nfs/dbraw/zinc/95/52/94/433955294.db2.gz AMYZNNUGOFZBQD-DLBZAZTESA-N 1 0 323.440 3.324 10 0 DGAERO O=C1NCCc2ccc(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)cc21 ZINC000436399312 433956762 /nfs/dbraw/zinc/95/67/62/433956762.db2.gz DKYYNWOMGGMEPB-OALUTQOASA-N 1 0 320.436 3.398 10 0 DGAERO CN(C)C(=O)c1cccc(C[NH+]2CCC(C)(C3CC3)CC2)c1 ZINC000352193515 433971136 /nfs/dbraw/zinc/97/11/36/433971136.db2.gz ZXLCTHWBTLCLBY-UHFFFAOYSA-N 1 0 300.446 3.401 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@@H](C)C(C)(C)OC)c1 ZINC000340201508 433978510 /nfs/dbraw/zinc/97/85/10/433978510.db2.gz JWQJEDDLLVKZNE-JTQLQIEISA-N 1 0 316.239 3.361 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000340210899 433984910 /nfs/dbraw/zinc/98/49/10/433984910.db2.gz XFMMQNYKPWAYOR-ZWKOTPCHSA-N 1 0 302.462 3.198 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CC/C=C\c2ccccc2)C1 ZINC000457122529 434003127 /nfs/dbraw/zinc/00/31/27/434003127.db2.gz OTCWRDXNYQUYRD-VTSXBNNFSA-N 1 0 300.446 3.421 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000294125069 434008478 /nfs/dbraw/zinc/00/84/78/434008478.db2.gz LXBFJWBNCXYSFW-LBKOFNPBSA-N 1 0 316.420 3.173 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000304562357 434014801 /nfs/dbraw/zinc/01/48/01/434014801.db2.gz GYVJHXSMMDLXFL-KOLCDFICSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400550445 293865039 /nfs/dbraw/zinc/86/50/39/293865039.db2.gz XHSRQIIKIYVRCS-RQJABVFESA-N 1 0 314.495 3.116 10 0 DGAERO CCC(=O)N[C@@H]1CCCN(c2cc[nH+]c3ccc(CC)cc32)C1 ZINC000450290967 434085912 /nfs/dbraw/zinc/08/59/12/434085912.db2.gz DSIJSVDNHGJGPE-OAHLLOKOSA-N 1 0 311.429 3.292 10 0 DGAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000309580482 434095613 /nfs/dbraw/zinc/09/56/13/434095613.db2.gz LFAVTTJOCBGARP-OLMNPRSZSA-N 1 0 300.446 3.189 10 0 DGAERO CC[NH+](CC)CC1CCN(c2ccc3c(n2)CCCC3=O)CC1 ZINC000450254179 434056961 /nfs/dbraw/zinc/05/69/61/434056961.db2.gz SJDYIUHEWPZQRY-UHFFFAOYSA-N 1 0 315.461 3.159 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000313027750 434117889 /nfs/dbraw/zinc/11/78/89/434117889.db2.gz GQXRGIATHRKIFA-LBPRGKRZSA-N 1 0 302.187 3.103 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000491345911 293996536 /nfs/dbraw/zinc/99/65/36/293996536.db2.gz JXEOWHDYIKEVAK-MOPGFXCFSA-N 1 0 310.445 3.385 10 0 DGAERO CC[N@@H+]1C[C@H](C)N(C(=O)CC/C=C\c2ccccc2)C[C@@H]1C ZINC000498566479 294064004 /nfs/dbraw/zinc/06/40/04/294064004.db2.gz GGBKHZMYJSTBAW-VIMDQOKKSA-N 1 0 300.446 3.421 10 0 DGAERO CC(=O)c1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)sc1C ZINC000450361619 434126391 /nfs/dbraw/zinc/12/63/91/434126391.db2.gz FZZZAHIASXVQHD-KGLIPLIRSA-N 1 0 307.463 3.106 10 0 DGAERO Cn1cnc(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)c1 ZINC000313260691 434128218 /nfs/dbraw/zinc/12/82/18/434128218.db2.gz HRYGEFZJXFSLQS-OAHLLOKOSA-N 1 0 320.234 3.002 10 0 DGAERO C[C@H](CC[NH+](C)C)NC(=O)NC1(c2ccccc2)CCCCC1 ZINC000506620210 294273387 /nfs/dbraw/zinc/27/33/87/294273387.db2.gz HLJLWPADLPEBAN-MRXNPFEDSA-N 1 0 317.477 3.485 10 0 DGAERO COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CCC3)C2)c1 ZINC000510660450 294389242 /nfs/dbraw/zinc/38/92/42/294389242.db2.gz YSACQPOMWRZQEF-ZYSHUDEJSA-N 1 0 300.446 3.442 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1OC ZINC000510701111 294390081 /nfs/dbraw/zinc/39/00/81/294390081.db2.gz GJUDFBLAJIBSJI-ZBFHGGJFSA-N 1 0 303.402 3.150 10 0 DGAERO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCCF ZINC000510781978 294392639 /nfs/dbraw/zinc/39/26/39/294392639.db2.gz QCMHZZKQZUOSNZ-GOSISDBHSA-N 1 0 307.409 3.377 10 0 DGAERO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](CO)CC1CCCC1 ZINC000510930090 294396622 /nfs/dbraw/zinc/39/66/22/294396622.db2.gz FUOBHORYDFJLHI-DYVFJYSZSA-N 1 0 322.424 3.074 10 0 DGAERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000510949718 294397452 /nfs/dbraw/zinc/39/74/52/294397452.db2.gz WPUTTZIGPHQLHX-DLBZAZTESA-N 1 0 318.461 3.081 10 0 DGAERO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](CO)CC1CCCC1 ZINC000510995349 294398582 /nfs/dbraw/zinc/39/85/82/294398582.db2.gz REDBULDLSNPGKF-WBVHZDCISA-N 1 0 318.461 3.243 10 0 DGAERO OC[C@@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccccc1 ZINC000512036404 294427743 /nfs/dbraw/zinc/42/77/43/294427743.db2.gz HYSXADKZMAZYBN-DWTRPJMMSA-N 1 0 303.352 3.344 10 0 DGAERO c1cn(-c2csc(C[NH+]3CCN(c4ccccc4)CC3)c2)cn1 ZINC000346148148 434152409 /nfs/dbraw/zinc/15/24/09/434152409.db2.gz WAADHWHRHVHOLG-UHFFFAOYSA-N 1 0 324.453 3.256 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2nc3c(s2)CCCC3)n1 ZINC000357776932 434171683 /nfs/dbraw/zinc/17/16/83/434171683.db2.gz FPPIHYFKLSMQLK-GFCCVEGCSA-N 1 0 317.458 3.319 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000363931615 434188116 /nfs/dbraw/zinc/18/81/16/434188116.db2.gz OKVNFAVGVDIVOB-KURKYZTESA-N 1 0 313.445 3.424 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)c2)cn1 ZINC000346206884 434202030 /nfs/dbraw/zinc/20/20/30/434202030.db2.gz RCMAVTGNFIKTFJ-OAHLLOKOSA-N 1 0 317.458 3.182 10 0 DGAERO c1coc(-c2cc(C[N@H+]3CC[C@H](Cc4ccncc4)C3)no2)c1 ZINC000364038845 434212589 /nfs/dbraw/zinc/21/25/89/434212589.db2.gz BBIGCHHDRCGLJP-OAHLLOKOSA-N 1 0 309.369 3.394 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363866677 434166647 /nfs/dbraw/zinc/16/66/47/434166647.db2.gz QMOSNAQCEAYTKP-IEZWGBDMSA-N 1 0 324.472 3.346 10 0 DGAERO c1c(C[NH2+]C2CC2)nnn1C1c2ccccc2-c2ccccc21 ZINC000321633242 434255139 /nfs/dbraw/zinc/25/51/39/434255139.db2.gz UDLPQIBKINIZJA-UHFFFAOYSA-N 1 0 302.381 3.148 10 0 DGAERO c1ccc(CN2CCCC[C@H]2C[NH2+]C[C@H]2CCSC2)cc1 ZINC000379651954 434259220 /nfs/dbraw/zinc/25/92/20/434259220.db2.gz VMYSWFLREZQJLO-MSOLQXFVSA-N 1 0 304.503 3.384 10 0 DGAERO c1ccc(CN2CCCC[C@H]2C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000379651956 434259327 /nfs/dbraw/zinc/25/93/27/434259327.db2.gz VMYSWFLREZQJLO-ROUUACIJSA-N 1 0 304.503 3.384 10 0 DGAERO CC1CCN(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000323749534 434266691 /nfs/dbraw/zinc/26/66/91/434266691.db2.gz DDWOONWTWUZJMB-UHFFFAOYSA-N 1 0 315.461 3.046 10 0 DGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000286284491 434222562 /nfs/dbraw/zinc/22/25/62/434222562.db2.gz BVNDCLOWNDKOIX-SFYZADRCSA-N 1 0 322.215 3.026 10 0 DGAERO CN(Cc1ccc(Br)s1)[C@@H]1C[NH+]2CCC1CC2 ZINC000383296046 434280983 /nfs/dbraw/zinc/28/09/83/434280983.db2.gz NYSJRTYCYBYDJM-GFCCVEGCSA-N 1 0 315.280 3.037 10 0 DGAERO CN1CCC[C@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000383831702 434289059 /nfs/dbraw/zinc/28/90/59/434289059.db2.gz SONAEFVJXZKBON-GXSJLCMTSA-N 1 0 315.280 3.182 10 0 DGAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cn1 ZINC000328655773 434295961 /nfs/dbraw/zinc/29/59/61/434295961.db2.gz YQYYZUCOZFBALW-XOYOTBSWSA-N 1 0 303.450 3.199 10 0 DGAERO Fc1ccc(OC2CC[NH+](CC[C@H]3CCOC3)CC2)c(F)c1 ZINC000437584668 434296332 /nfs/dbraw/zinc/29/63/32/434296332.db2.gz XTQKJLHQSNYMBQ-ZDUSSCGKSA-N 1 0 311.372 3.235 10 0 DGAERO COc1cccc(C2=CC[N@H+](CCC(=O)OC(C)C)CC2)c1 ZINC000437594695 434297489 /nfs/dbraw/zinc/29/74/89/434297489.db2.gz QSTLKKPEHKIHOT-UHFFFAOYSA-N 1 0 303.402 3.126 10 0 DGAERO FC(F)(F)c1cn2c(n1)CC[C@@H](C[NH2+]Cc1ccsc1)C2 ZINC000328651468 434297900 /nfs/dbraw/zinc/29/79/00/434297900.db2.gz VXULTTWJNMRPKK-JTQLQIEISA-N 1 0 315.364 3.316 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]1C ZINC000385631893 434298766 /nfs/dbraw/zinc/29/87/66/434298766.db2.gz KPMIFMUOEZBOIX-VDDIYKPWSA-N 1 0 312.207 3.312 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000385549713 434299378 /nfs/dbraw/zinc/29/93/78/434299378.db2.gz PKRGSPTVGGPHSP-TUKIKUTGSA-N 1 0 310.235 3.187 10 0 DGAERO Brc1ccc([C@H](NC[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423232915 434301074 /nfs/dbraw/zinc/30/10/74/434301074.db2.gz JBBITOPTBKEPKY-HUUCEWRRSA-N 1 0 309.251 3.242 10 0 DGAERO C(=C/c1ccccc1)\CC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000450625102 434301154 /nfs/dbraw/zinc/30/11/54/434301154.db2.gz CJCLEFJQFFTQHM-RUDMXATFSA-N 1 0 307.441 3.303 10 0 DGAERO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000386278131 434306529 /nfs/dbraw/zinc/30/65/29/434306529.db2.gz NMYQNGCJTMTSGM-WCQYABFASA-N 1 0 306.793 3.198 10 0 DGAERO C[C@H]1[C@@H](CO)CC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000386219750 434306879 /nfs/dbraw/zinc/30/68/79/434306879.db2.gz FJOLJLRYJDASRV-WDEREUQCSA-N 1 0 304.217 3.075 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(F)c1Br ZINC000386241442 434307658 /nfs/dbraw/zinc/30/76/58/434307658.db2.gz HXGFMUWJPLPWCJ-AAEUAGOBSA-N 1 0 316.214 3.181 10 0 DGAERO Cc1c(Cl)c(C[N@H+]2CC[C@H](CO)[C@@H]2C)nc2ccccc12 ZINC000386320835 434308983 /nfs/dbraw/zinc/30/89/83/434308983.db2.gz UEZRMPFFKPZJKT-QWHCGFSZSA-N 1 0 304.821 3.399 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000437685069 434315533 /nfs/dbraw/zinc/31/55/33/434315533.db2.gz IERPKYAALLILOI-SFHVURJKSA-N 1 0 314.473 3.188 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccsc1Br ZINC000388444067 434334157 /nfs/dbraw/zinc/33/41/57/434334157.db2.gz WRNNLAVOAONYAU-PWSUYJOCSA-N 1 0 315.280 3.179 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@H+](CCCCCOc2ccccc2)C1 ZINC000437725686 434323938 /nfs/dbraw/zinc/32/39/38/434323938.db2.gz KRLODAQDBPOPGD-QGZVFWFLSA-N 1 0 318.461 3.226 10 0 DGAERO CCc1ccnc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000437744610 434326296 /nfs/dbraw/zinc/32/62/96/434326296.db2.gz KSLFUNAIIJQXON-UHFFFAOYSA-N 1 0 323.440 3.170 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000450718128 434361687 /nfs/dbraw/zinc/36/16/87/434361687.db2.gz MWLHWHDSYYBFEF-QRWLVFNGSA-N 1 0 311.425 3.137 10 0 DGAERO C[C@H]1CCC[C@@H](CC[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)C1 ZINC000329127600 434363112 /nfs/dbraw/zinc/36/31/12/434363112.db2.gz NBBZYTOTIQSDCY-DIECFANBSA-N 1 0 318.465 3.187 10 0 DGAERO c1c(C2CC2)[nH]nc1N1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000517761351 294690267 /nfs/dbraw/zinc/69/02/67/294690267.db2.gz LYHKJBQONSIEGZ-INIZCTEOSA-N 1 0 300.450 3.298 10 0 DGAERO CC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)[C@@H]1CCOC1 ZINC000358177320 434370277 /nfs/dbraw/zinc/37/02/77/434370277.db2.gz PCSHXRZXIHXAPW-IMJJTQAJSA-N 1 0 307.434 3.040 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[C@H](C)CC2)CC1 ZINC000518155413 294706555 /nfs/dbraw/zinc/70/65/55/294706555.db2.gz SXUNIHKWVYWMDJ-JCNLHEQBSA-N 1 0 309.498 3.329 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000358199118 434381643 /nfs/dbraw/zinc/38/16/43/434381643.db2.gz QTGNMBZOVQXHLZ-GOSISDBHSA-N 1 0 313.445 3.015 10 0 DGAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393323163 434389031 /nfs/dbraw/zinc/38/90/31/434389031.db2.gz QUKDLBCFVZOYRD-MWLCHTKSSA-N 1 0 300.244 3.097 10 0 DGAERO CC(C)CC[C@H]([NH2+]Cc1nn(C)cc1Br)C1CC1 ZINC000393337270 434389217 /nfs/dbraw/zinc/38/92/17/434389217.db2.gz KHMXVOYEVSSZRQ-ZDUSSCGKSA-N 1 0 314.271 3.487 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000389223109 434348593 /nfs/dbraw/zinc/34/85/93/434348593.db2.gz GDVAUWRHBVNNAY-CMPLNLGQSA-N 1 0 315.230 3.333 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000389834439 434350862 /nfs/dbraw/zinc/35/08/62/434350862.db2.gz JHZUXFXGMWQKHD-GZMMTYOYSA-N 1 0 302.205 3.113 10 0 DGAERO C(=C/c1ccccc1)\CC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000450709711 434357558 /nfs/dbraw/zinc/35/75/58/434357558.db2.gz ADOBPAWIKHZSOU-XBXARRHUSA-N 1 0 301.430 3.219 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2cc(Br)cs2)CC1 ZINC000358163104 434358648 /nfs/dbraw/zinc/35/86/48/434358648.db2.gz HWTMMLMKUHOGOT-UHFFFAOYSA-N 1 0 315.280 3.252 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000358158963 434358878 /nfs/dbraw/zinc/35/88/78/434358878.db2.gz IOMFCADKWMIJOY-UHFFFAOYSA-N 1 0 307.441 3.490 10 0 DGAERO Fc1ccccc1Cn1c2ccccc2nc1N1CCC[NH2+]CC1 ZINC000095077141 294770826 /nfs/dbraw/zinc/77/08/26/294770826.db2.gz LWVLDGGMDVQMSH-UHFFFAOYSA-N 1 0 324.403 3.023 10 0 DGAERO C[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000287545413 434392921 /nfs/dbraw/zinc/39/29/21/434392921.db2.gz PMNROPJXFPXXBQ-LBPRGKRZSA-N 1 0 300.402 3.391 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000450774195 434404259 /nfs/dbraw/zinc/40/42/59/434404259.db2.gz NQTKUBNCZHOJNW-APPDUMDISA-N 1 0 305.805 3.484 10 0 DGAERO C[C@@H]1CN(Cc2c(F)cccc2Br)C[C@@]1(C)C[NH3+] ZINC000394695888 434404794 /nfs/dbraw/zinc/40/47/94/434404794.db2.gz FEOHSUUPGHOBNV-QMTHXVAHSA-N 1 0 315.230 3.005 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000450774196 434405309 /nfs/dbraw/zinc/40/53/09/434405309.db2.gz NQTKUBNCZHOJNW-DIFFPNOSSA-N 1 0 305.805 3.484 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000394921573 434409867 /nfs/dbraw/zinc/40/98/67/434409867.db2.gz WYFHIKRMLXTJFV-ZYHUDNBSSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@H](C)O1 ZINC000395212029 434414764 /nfs/dbraw/zinc/41/47/64/434414764.db2.gz JLYQWEWSRLXVEL-VYUIOLGVSA-N 1 0 302.187 3.244 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCc3cc(Br)ccc32)nn1 ZINC000396575639 434421252 /nfs/dbraw/zinc/42/12/52/434421252.db2.gz ZZNYHCOQKHOVTA-HNNXBMFYSA-N 1 0 318.218 3.325 10 0 DGAERO C[NH+]1CCC(CC(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000458004181 434437185 /nfs/dbraw/zinc/43/71/85/434437185.db2.gz ZCQBEJCRWCNGRL-IEBWSBKVSA-N 1 0 314.473 3.274 10 0 DGAERO O[C@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)COc1ccc(Cl)c(Cl)c1 ZINC000397747635 434441301 /nfs/dbraw/zinc/44/13/01/434441301.db2.gz JSHJSEGSBVVAER-WRWGMCAJSA-N 1 0 316.228 3.121 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1cccc(Br)c1F ZINC000398546397 434461653 /nfs/dbraw/zinc/46/16/53/434461653.db2.gz DNMYOFSULPEGAD-CYBMUJFWSA-N 1 0 304.203 3.085 10 0 DGAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3Br)C[C@H]2C1 ZINC000398746601 434465971 /nfs/dbraw/zinc/46/59/71/434465971.db2.gz SNRYDHMKJCXSKE-MRVWCRGKSA-N 1 0 310.235 3.042 10 0 DGAERO C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000398997693 434469784 /nfs/dbraw/zinc/46/97/84/434469784.db2.gz ADNOQYOKOTXFNK-AMIZOPFISA-N 1 0 301.217 3.298 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OC(C)C)c(C)c2)C1 ZINC000438448275 434481186 /nfs/dbraw/zinc/48/11/86/434481186.db2.gz PXYGBMZPJRXFHK-OAHLLOKOSA-N 1 0 319.449 3.246 10 0 DGAERO Cc1ccncc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400349287 434487813 /nfs/dbraw/zinc/48/78/13/434487813.db2.gz JGVYDEXDWMSRIN-CABCVRRESA-N 1 0 319.449 3.125 10 0 DGAERO Brc1sccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000400632065 434489139 /nfs/dbraw/zinc/48/91/39/434489139.db2.gz NNYSZBQMLGGMQW-JTQLQIEISA-N 1 0 304.253 3.417 10 0 DGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc2sccc2s1 ZINC000401681583 434500849 /nfs/dbraw/zinc/50/08/49/434500849.db2.gz VQDBPDLJAGAECG-CYBMUJFWSA-N 1 0 306.456 3.367 10 0 DGAERO COC[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)C(C)C ZINC000397972188 434451265 /nfs/dbraw/zinc/45/12/65/434451265.db2.gz BVZHTTGDEGJTAA-RBUKOAKNSA-N 1 0 304.478 3.302 10 0 DGAERO CCO[C@@H]1C[C@@](CO)([NH2+]C2CC(c3ccc(F)cc3)C2)C1(C)C ZINC000438328698 434452598 /nfs/dbraw/zinc/45/25/98/434452598.db2.gz NXLWPDPMUKSSOQ-SYARIVLMSA-N 1 0 321.436 3.227 10 0 DGAERO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cccc(Cl)c1Cl ZINC000404183118 434508547 /nfs/dbraw/zinc/50/85/47/434508547.db2.gz DOCXWGVQGDSYNF-HZMBPMFUSA-N 1 0 304.217 3.186 10 0 DGAERO CCCc1occc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458214922 434528908 /nfs/dbraw/zinc/52/89/08/434528908.db2.gz DDZJWXIPVYTNPE-UHFFFAOYSA-N 1 0 320.458 3.498 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407250673 434529219 /nfs/dbraw/zinc/52/92/19/434529219.db2.gz FCDOAMFTRWNHOH-UONOGXRCSA-N 1 0 323.234 3.227 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000360170181 434538642 /nfs/dbraw/zinc/53/86/42/434538642.db2.gz HRBGDGJTLSXOKT-CGTJXYLNSA-N 1 0 300.446 3.265 10 0 DGAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)[C@H]2C1 ZINC000408185166 434549992 /nfs/dbraw/zinc/54/99/92/434549992.db2.gz HIMMPUDYASQSOP-QAPCUYQASA-N 1 0 324.428 3.240 10 0 DGAERO C[C@H](O)CC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000451065687 434553068 /nfs/dbraw/zinc/55/30/68/434553068.db2.gz RVJUJXRTDSJDDL-JSGCOSHPSA-N 1 0 312.251 3.084 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2n[nH]cc2Br)CC(C)(C)C1 ZINC000525709417 295027323 /nfs/dbraw/zinc/02/73/23/295027323.db2.gz ZPAAAQQBKMQFOA-ZJUUUORDSA-N 1 0 300.244 3.477 10 0 DGAERO CCCOc1ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000526002398 295049971 /nfs/dbraw/zinc/04/99/71/295049971.db2.gz SCKXMNOEFHIHCJ-LJQANCHMSA-N 1 0 319.445 3.245 10 0 DGAERO c1c[nH]c(C2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)n1 ZINC000526115844 295058988 /nfs/dbraw/zinc/05/89/88/295058988.db2.gz LGNSHXWWUXXYMV-UHFFFAOYSA-N 1 0 313.430 3.241 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000527355638 295093835 /nfs/dbraw/zinc/09/38/35/295093835.db2.gz WMSHUXXERLTYOC-XJKSGUPXSA-N 1 0 308.853 3.434 10 0 DGAERO C([C@H]1CCCN(c2nnc(C3CC3)o2)C1)[NH+]1CCCCCC1 ZINC000439171954 434572926 /nfs/dbraw/zinc/57/29/26/434572926.db2.gz WQZUIGJCCDUYKA-CQSZACIVSA-N 1 0 304.438 3.039 10 0 DGAERO c1nn(-c2ccccc2)cc1CNC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751535 295125506 /nfs/dbraw/zinc/12/55/06/295125506.db2.gz IWIDSNWKLVBQMP-FQEVSTJZSA-N 1 0 324.472 3.369 10 0 DGAERO c1ccc([C@@H]([NH2+]Cc2cccc3c2OCCO3)C2CCC2)nc1 ZINC000527773158 295128416 /nfs/dbraw/zinc/12/84/16/295128416.db2.gz POVGPENITKDZOZ-SFHVURJKSA-N 1 0 310.397 3.484 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cscc1Br ZINC000527802483 295132985 /nfs/dbraw/zinc/13/29/85/295132985.db2.gz AGBFEAGNIOJWSA-APOZVJGGSA-N 1 0 304.253 3.412 10 0 DGAERO c1cnc(N2CCC([NH2+]CC(C3CCC3)C3CCC3)CC2)cn1 ZINC000527928043 295151572 /nfs/dbraw/zinc/15/15/72/295151572.db2.gz TXTMIXBKGQFPBQ-UHFFFAOYSA-N 1 0 314.477 3.251 10 0 DGAERO C([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CCN1C1CCCCC1 ZINC000527949009 295155765 /nfs/dbraw/zinc/15/57/65/295155765.db2.gz NQHPXQICSOPMDF-AVAKVYKDSA-N 1 0 306.494 3.475 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000261839179 295272327 /nfs/dbraw/zinc/27/23/27/295272327.db2.gz UVBWUMUFUUTNMI-KZNAEPCWSA-N 1 0 300.446 3.409 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN1C)CCCS2 ZINC000187840558 295274741 /nfs/dbraw/zinc/27/47/41/295274741.db2.gz QZWCTSNCLBILQS-XJKSGUPXSA-N 1 0 306.475 3.306 10 0 DGAERO c1cn(-c2csc(C[NH+]3CCC([C@@H]4CCCO4)CC3)c2)cn1 ZINC000439769088 434645447 /nfs/dbraw/zinc/64/54/47/434645447.db2.gz SLRILLUZFGEPMD-KRWDZBQOSA-N 1 0 317.458 3.325 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1oc2ccccc2c1C ZINC000360532790 434632979 /nfs/dbraw/zinc/63/29/79/434632979.db2.gz LZNAPVONAPZMEX-CYBMUJFWSA-N 1 0 317.433 3.271 10 0 DGAERO COCCC1(C)CN(Cc2cc(F)cc(Br)c2)C1 ZINC000459631023 434639184 /nfs/dbraw/zinc/63/91/84/434639184.db2.gz HTODBHPQMRHZGC-UHFFFAOYSA-N 1 0 316.214 3.447 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCc3cccc(Cl)c3)[C@H]2C1 ZINC000459571491 434611866 /nfs/dbraw/zinc/61/18/66/434611866.db2.gz RHPWPHYUAYKWTE-RYQLBKOJSA-N 1 0 320.864 3.119 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCc1cn(C)cn1 ZINC000459659459 434650278 /nfs/dbraw/zinc/65/02/78/434650278.db2.gz KCBOPTJBKMKWIM-LCYFTJDESA-N 1 0 321.371 3.257 10 0 DGAERO Cc1ncc(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)o1 ZINC000459674739 434659045 /nfs/dbraw/zinc/65/90/45/434659045.db2.gz LDOHMCONAPMWKC-DLBZAZTESA-N 1 0 300.402 3.457 10 0 DGAERO c1ccc2c(c1)CO[C@]21CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000360669354 434664007 /nfs/dbraw/zinc/66/40/07/434664007.db2.gz OLJWVEOFBAYOSO-HKUYNNGSSA-N 1 0 301.430 3.467 10 0 DGAERO C[C@@H](CC[NH+](C)C)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360982251 434753560 /nfs/dbraw/zinc/75/35/60/434753560.db2.gz HOYXJCNRGQQSTA-AWEZNQCLSA-N 1 0 306.450 3.072 10 0 DGAERO CC(=Cc1ccccc1Cl)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000371446471 434702573 /nfs/dbraw/zinc/70/25/73/434702573.db2.gz DOJDESDOJPSMEK-YKWSONSWSA-N 1 0 315.804 3.140 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000360908539 434729434 /nfs/dbraw/zinc/72/94/34/434729434.db2.gz HPWKYWFICVUAOB-UHFFFAOYSA-N 1 0 324.856 3.321 10 0 DGAERO CC(C)=CCC[C@@H](C)CC[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC000360921627 434731789 /nfs/dbraw/zinc/73/17/89/434731789.db2.gz IQXIXMMHGZFSLT-MRXNPFEDSA-N 1 0 320.481 3.268 10 0 DGAERO Cc1ccnc(C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)n1 ZINC000371889262 434766402 /nfs/dbraw/zinc/76/64/02/434766402.db2.gz WTAVJXPNQYKCJW-UHFFFAOYSA-N 1 0 309.413 3.100 10 0 DGAERO CS[C@@H]1CN(C(=O)[C@@H]2CCCCC2(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000447531869 295646021 /nfs/dbraw/zinc/64/60/21/295646021.db2.gz TYCGPWCITFWUER-HRCADAONSA-N 1 0 324.534 3.241 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000371852788 434760295 /nfs/dbraw/zinc/76/02/95/434760295.db2.gz KAWKEFGEKKGJMO-VMEIHUARSA-N 1 0 316.420 3.173 10 0 DGAERO C[C@H](Cc1cnccn1)[NH2+]CCc1ccccc1Br ZINC000453097540 434798606 /nfs/dbraw/zinc/79/86/06/434798606.db2.gz WSMWGOVEFJUMDQ-GFCCVEGCSA-N 1 0 320.234 3.002 10 0 DGAERO c1cc(C[NH+]2CCCCC2)ccc1CN1CCO[C@H](C2CC2)C1 ZINC000411564625 434800786 /nfs/dbraw/zinc/80/07/86/434800786.db2.gz TTZXEYXDEOFMHF-FQEVSTJZSA-N 1 0 314.473 3.283 10 0 DGAERO Cc1ccc(C[N@H+](CCO)CCOc2ccc(F)cc2)cc1 ZINC000361088717 434792166 /nfs/dbraw/zinc/79/21/66/434792166.db2.gz RLYRVHTUDBEJGM-UHFFFAOYSA-N 1 0 303.377 3.007 10 0 DGAERO COC1([C@@H](C)[NH2+]CCSCc2ccc(C)cc2)CCOCC1 ZINC000453087374 434796573 /nfs/dbraw/zinc/79/65/73/434796573.db2.gz NTKOZZDJFIOKLC-MRXNPFEDSA-N 1 0 323.502 3.402 10 0 DGAERO c1cc(CN2CCOCC2)ccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453097595 434798030 /nfs/dbraw/zinc/79/80/30/434798030.db2.gz UOIBGDXGSAPKQF-FQEVSTJZSA-N 1 0 314.473 3.187 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)c2nccn21 ZINC000453174795 434822813 /nfs/dbraw/zinc/82/28/13/434822813.db2.gz PAXMHSUHSIQBBQ-IUODEOHRSA-N 1 0 305.809 3.349 10 0 DGAERO COC1([C@@H](C)[NH2+]C2CC(c3ccc(F)cc3)C2)CCOCC1 ZINC000453179458 434824302 /nfs/dbraw/zinc/82/43/02/434824302.db2.gz VDZQOTRJPUOZMH-BZOOQXSSSA-N 1 0 307.409 3.245 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C2CC2)CCOCC1 ZINC000453229662 434835392 /nfs/dbraw/zinc/83/53/92/434835392.db2.gz DYCUUADAWUCBCR-QAPCUYQASA-N 1 0 303.446 3.354 10 0 DGAERO C[C@@H](CCO)CC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000453239436 434836008 /nfs/dbraw/zinc/83/60/08/434836008.db2.gz UQECSNMWWZGRMH-CXAGYDPISA-N 1 0 321.852 3.161 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411866126 434837506 /nfs/dbraw/zinc/83/75/06/434837506.db2.gz HAFOOCPKTLKEDE-UHFFFAOYSA-N 1 0 321.486 3.444 10 0 DGAERO COc1cccc(C2=CC[N@H+](C[C@H](O)CC(F)(F)F)CC2)c1 ZINC000372740620 434850787 /nfs/dbraw/zinc/85/07/87/434850787.db2.gz MNZNDILNOQMHAX-CQSZACIVSA-N 1 0 315.335 3.098 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)NCC[NH+](CC)CC ZINC000521570437 434888041 /nfs/dbraw/zinc/88/80/41/434888041.db2.gz JHTLQYFZTOEOFN-KRWDZBQOSA-N 1 0 320.477 3.425 10 0 DGAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2CCC(C)(C)CC2)c1 ZINC000573438508 434899859 /nfs/dbraw/zinc/89/98/59/434899859.db2.gz GUZDGLYCIBOISO-KRWDZBQOSA-N 1 0 319.445 3.187 10 0 DGAERO COC[C@@H](O)C[NH+]1CCC(Cc2ccc(C(C)C)cc2)CC1 ZINC000462453235 434914025 /nfs/dbraw/zinc/91/40/25/434914025.db2.gz BTFBABZJVKOKAC-IBGZPJMESA-N 1 0 305.462 3.072 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000523408129 434946135 /nfs/dbraw/zinc/94/61/35/434946135.db2.gz GKIXDIIDZWMXTL-VQHPVUNQSA-N 1 0 302.462 3.476 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000462777797 434928012 /nfs/dbraw/zinc/92/80/12/434928012.db2.gz NASUUMWRSZXWKG-SFHVURJKSA-N 1 0 315.461 3.238 10 0 DGAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462792257 434929118 /nfs/dbraw/zinc/92/91/18/434929118.db2.gz DWQMCYBSHMTTJY-QGZVFWFLSA-N 1 0 318.461 3.216 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCOCC2CC2)cc1 ZINC000462793617 434929775 /nfs/dbraw/zinc/92/97/75/434929775.db2.gz SZDUKUFCTYBGOG-UHFFFAOYSA-N 1 0 305.418 3.158 10 0 DGAERO COc1ccc(F)cc1C[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000462897015 434934983 /nfs/dbraw/zinc/93/49/83/434934983.db2.gz RFZWGGXTHPXPFS-UHFFFAOYSA-N 1 0 315.388 3.444 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000465441050 435028151 /nfs/dbraw/zinc/02/81/51/435028151.db2.gz RGYDNSQCMDZDMT-YQQAZPJKSA-N 1 0 309.498 3.232 10 0 DGAERO C[C@H](CNC(=O)N1CCC2(C1)CCCCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000465531754 435032363 /nfs/dbraw/zinc/03/23/63/435032363.db2.gz BRODGAGEPFOFBD-DLBZAZTESA-N 1 0 321.509 3.473 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc2c1OCC2 ZINC000464072390 434977461 /nfs/dbraw/zinc/97/74/61/434977461.db2.gz RLCOTSXTCFZCIY-QXAKKESOSA-N 1 0 315.457 3.349 10 0 DGAERO C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000557890578 435070436 /nfs/dbraw/zinc/07/04/36/435070436.db2.gz CDXHINLRRAMSAE-GVDBMIGSSA-N 1 0 302.462 3.244 10 0 DGAERO COc1nc(C)cc(C)c1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000578389378 435080684 /nfs/dbraw/zinc/08/06/84/435080684.db2.gz NSMDSGQERIRJPB-UHFFFAOYSA-N 1 0 318.461 3.346 10 0 DGAERO O=C(NCCCC1CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000531300827 435082497 /nfs/dbraw/zinc/08/24/97/435082497.db2.gz NFORBDWCGXWMTR-SFHVURJKSA-N 1 0 300.446 3.348 10 0 DGAERO CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccc(Cl)cn1 ZINC000558406547 435088406 /nfs/dbraw/zinc/08/84/06/435088406.db2.gz FMAMELGUBXZTDN-UHFFFAOYSA-N 1 0 318.730 3.119 10 0 DGAERO C[N@H+](CCNC(=O)N1CCC2(C1)CCCCC2)C1CCCC1 ZINC000465859956 435048695 /nfs/dbraw/zinc/04/86/95/435048695.db2.gz MZNFORACRQQDPA-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO c1cc(-c2nc(CN3CCC[C@]4(CCCOC4)C3)no2)cs1 ZINC000530865875 435055268 /nfs/dbraw/zinc/05/52/68/435055268.db2.gz NSWPXSCAJSARLR-INIZCTEOSA-N 1 0 319.430 3.191 10 0 DGAERO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000492815169 435055880 /nfs/dbraw/zinc/05/58/80/435055880.db2.gz CXNGIAABWQGTLY-DZGCQCFKSA-N 1 0 318.417 3.302 10 0 DGAERO COc1ccccc1/C=C\C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000466904357 435098045 /nfs/dbraw/zinc/09/80/45/435098045.db2.gz IJIVIZXSSLLNAY-WPGJWXSHSA-N 1 0 311.425 3.210 10 0 DGAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000531614646 435104773 /nfs/dbraw/zinc/10/47/73/435104773.db2.gz WXVXNRFRXJKYOM-HNNXBMFYSA-N 1 0 304.434 3.068 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@H](CO)CC2CCCC2)cc1 ZINC000467459031 435121463 /nfs/dbraw/zinc/12/14/63/435121463.db2.gz ZDRFWHRQSZFWHW-MAUKXSAKSA-N 1 0 305.462 3.405 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000471759094 435138806 /nfs/dbraw/zinc/13/88/06/435138806.db2.gz KBBWRGZMMUSPAI-XJKCOSOUSA-N 1 0 304.390 3.388 10 0 DGAERO C[C@@H]1CCN(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000532845338 435194711 /nfs/dbraw/zinc/19/47/11/435194711.db2.gz UVDJHYYLTXCTBO-LMMKCTJWSA-N 1 0 302.462 3.086 10 0 DGAERO CC(C)[C@@H](C)N(Cc1c(Br)cnn1C)C1CC1 ZINC000494408090 435195845 /nfs/dbraw/zinc/19/58/45/435195845.db2.gz WCVRBXKFJXNUCA-SNVBAGLBSA-N 1 0 300.244 3.192 10 0 DGAERO Cc1csc(NC(=O)C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 ZINC000495395929 435204170 /nfs/dbraw/zinc/20/41/70/435204170.db2.gz KAHGOBXEZHELAJ-FPMFFAJLSA-N 1 0 309.479 3.440 10 0 DGAERO Cc1cc(C)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1C ZINC000475618687 435204430 /nfs/dbraw/zinc/20/44/30/435204430.db2.gz OWFLGAYOMKKALT-IBGZPJMESA-N 1 0 303.446 3.382 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC000474657402 435155374 /nfs/dbraw/zinc/15/53/74/435155374.db2.gz NBAGEFPMTREDQX-MRXNPFEDSA-N 1 0 307.482 3.106 10 0 DGAERO C[C@@]12CC[C@H]3c4ccc(OCC[NH3+])cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000098095927 297940080 /nfs/dbraw/zinc/94/00/80/297940080.db2.gz CMRRRUCMFIWSCT-CGBFIWBNSA-N 1 0 313.441 3.449 10 0 DGAERO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCCC(F)(F)C2)CC1 ZINC000532284095 435155679 /nfs/dbraw/zinc/15/56/79/435155679.db2.gz UEIIXZJGPGIFGM-ZDUSSCGKSA-N 1 0 317.424 3.080 10 0 DGAERO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCc2cccc(OC)n2)cc1 ZINC000474802635 435162574 /nfs/dbraw/zinc/16/25/74/435162574.db2.gz RXRRMOVCWFWOAO-LSDHHAIUSA-N 1 0 314.429 3.423 10 0 DGAERO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000532584554 435177859 /nfs/dbraw/zinc/17/78/59/435177859.db2.gz RBSHLOOQTUDAPZ-HIFRSBDPSA-N 1 0 318.417 3.254 10 0 DGAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000532648470 435182536 /nfs/dbraw/zinc/18/25/36/435182536.db2.gz WWHGJYKMQRUXJC-INIZCTEOSA-N 1 0 304.434 3.068 10 0 DGAERO c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)cn2)cc1 ZINC000532647238 435182723 /nfs/dbraw/zinc/18/27/23/435182723.db2.gz NMOFFNVILCLJAG-MSOLQXFVSA-N 1 0 309.413 3.145 10 0 DGAERO C[C@@H](F)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000580435692 435235569 /nfs/dbraw/zinc/23/55/69/435235569.db2.gz HVXCTVFUDQCZAR-MWLCHTKSSA-N 1 0 310.196 3.071 10 0 DGAERO O=C(N1CCc2ccccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000477476036 435268864 /nfs/dbraw/zinc/26/88/64/435268864.db2.gz DHGWZSDFJUOBRY-UHFFFAOYSA-N 1 0 313.445 3.119 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnc(-c3ccccc3)c2)C1 ZINC000534325912 435279751 /nfs/dbraw/zinc/27/97/51/435279751.db2.gz TUDQAQFXBZXKSM-HNNXBMFYSA-N 1 0 324.428 3.212 10 0 DGAERO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000479287903 435325065 /nfs/dbraw/zinc/32/50/65/435325065.db2.gz TUZSPMYBSDWSAO-WOPDTQHZSA-N 1 0 300.240 3.393 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CC2(C)C)CC1 ZINC000479429087 435331172 /nfs/dbraw/zinc/33/11/72/435331172.db2.gz HYOZPCUFRRXAFR-DOTOQJQBSA-N 1 0 321.509 3.471 10 0 DGAERO CC[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000479467482 435332765 /nfs/dbraw/zinc/33/27/65/435332765.db2.gz PIOABMOQEDBKBF-HKUYNNGSSA-N 1 0 302.462 3.308 10 0 DGAERO CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000481162806 435411125 /nfs/dbraw/zinc/41/11/25/435411125.db2.gz CZBHRHJJTJDVMO-RTBURBONSA-N 1 0 314.473 3.246 10 0 DGAERO COC[C@@H](CC(C)C)[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000536875407 435416092 /nfs/dbraw/zinc/41/60/92/435416092.db2.gz IFEFJLAUGLUDPJ-GDBMZVCRSA-N 1 0 309.450 3.286 10 0 DGAERO c1nc(C[NH2+][C@H]2CCc3c[nH]nc3C2)sc1-c1ccccc1 ZINC000536413854 435381454 /nfs/dbraw/zinc/38/14/54/435381454.db2.gz YHPIMXDCLPTIBR-AWEZNQCLSA-N 1 0 310.426 3.180 10 0 DGAERO CC(C)C[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480712977 435390332 /nfs/dbraw/zinc/39/03/32/435390332.db2.gz VPCOWDMGGQMKPU-DLBZAZTESA-N 1 0 319.493 3.469 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000513527978 435391401 /nfs/dbraw/zinc/39/14/01/435391401.db2.gz WEBOQOQLGJEXAK-KDJLYAGDSA-N 1 0 306.837 3.377 10 0 DGAERO Cc1nn(C)c(C)c1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000537511684 435446249 /nfs/dbraw/zinc/44/62/49/435446249.db2.gz QWPSWQRVJQODND-GUYCJALGSA-N 1 0 304.482 3.492 10 0 DGAERO CC(C)[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000514876373 435446819 /nfs/dbraw/zinc/44/68/19/435446819.db2.gz DSSHBORMPBPZFF-INIZCTEOSA-N 1 0 309.429 3.116 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@]3(CCCOC3)C2)cc2c1OCC2 ZINC000482154123 435453953 /nfs/dbraw/zinc/45/39/53/435453953.db2.gz DUOFQOLYHBLOJB-FQEVSTJZSA-N 1 0 315.457 3.447 10 0 DGAERO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2C[C@H](C)CC2(C)C)cc1 ZINC000537624022 435456108 /nfs/dbraw/zinc/45/61/08/435456108.db2.gz GJZKVLFTDRWRNT-KGLIPLIRSA-N 1 0 305.418 3.247 10 0 DGAERO COC(=O)C(C)(C)N1CC[NH+](CC[C@@H](C)CCC=C(C)C)CC1 ZINC000482237588 435458844 /nfs/dbraw/zinc/45/88/44/435458844.db2.gz FKIABSINKMVRNJ-KRWDZBQOSA-N 1 0 324.509 3.328 10 0 DGAERO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Cl)cc(Cl)c1 ZINC000482432983 435465097 /nfs/dbraw/zinc/46/50/97/435465097.db2.gz CMSWLBAYZXQIQE-RYUDHWBXSA-N 1 0 317.260 3.365 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000644624045 435472945 /nfs/dbraw/zinc/47/29/45/435472945.db2.gz CQLPBYMDHJSHFR-KRWDZBQOSA-N 1 0 305.462 3.370 10 0 DGAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000568458999 435437831 /nfs/dbraw/zinc/43/78/31/435437831.db2.gz WAWLHTNAIOKEQG-XNRPHZJLSA-N 1 0 324.415 3.305 10 0 DGAERO CCOC(=O)c1ccc(C[N@H+](C)[C@H]2CCc3ccccc3C2)o1 ZINC000538727100 435516562 /nfs/dbraw/zinc/51/65/62/435516562.db2.gz UERGTYOWPUNGGL-INIZCTEOSA-N 1 0 313.397 3.446 10 0 DGAERO C[N@H+](Cc1cnc(N2CCCC2)nc1)[C@@H]1CCc2ccccc2C1 ZINC000538725697 435518706 /nfs/dbraw/zinc/51/87/06/435518706.db2.gz RBYVDYAFCXDHLS-LJQANCHMSA-N 1 0 322.456 3.066 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000538315397 435492750 /nfs/dbraw/zinc/49/27/50/435492750.db2.gz HRWSKAAAWJGZTN-OALUTQOASA-N 1 0 310.441 3.353 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1ccccc1Nc1ccccc1 ZINC000538316173 435493251 /nfs/dbraw/zinc/49/32/51/435493251.db2.gz RASBNAIKIHWPHA-UHFFFAOYSA-N 1 0 311.429 3.454 10 0 DGAERO CCc1ccc(CC[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000483179757 435501772 /nfs/dbraw/zinc/50/17/72/435501772.db2.gz IQCAWGZXPIODDC-LJQANCHMSA-N 1 0 303.446 3.061 10 0 DGAERO c1cc(CN2CC[NH+](Cc3cccc4c3NCC4)CC2)cs1 ZINC000516770559 435550789 /nfs/dbraw/zinc/55/07/89/435550789.db2.gz NUQFYWKQJCOHJR-UHFFFAOYSA-N 1 0 313.470 3.034 10 0 DGAERO COC[C@@H](O)C[NH2+][C@H](c1ccccc1C)[C@H]1CCC[C@H](C)C1 ZINC000539727549 435564211 /nfs/dbraw/zinc/56/42/11/435564211.db2.gz ZUUGORXRDUYUOC-XPYUAMARSA-N 1 0 305.462 3.459 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)CNCC(F)(F)CO ZINC000517053829 435574096 /nfs/dbraw/zinc/57/40/96/435574096.db2.gz UDEMFWVUTFUXEM-BJMVGYQFSA-N 1 0 309.278 3.326 10 0 DGAERO C[C@H]([NH2+]CCCC1CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000539071697 435537593 /nfs/dbraw/zinc/53/75/93/435537593.db2.gz SXTNHHAXDJYIJR-QFBILLFUSA-N 1 0 302.462 3.228 10 0 DGAERO CCOC1CC(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)C1 ZINC000569513395 435539461 /nfs/dbraw/zinc/53/94/61/435539461.db2.gz XJPXZFGYVDUIJC-FHERZECASA-N 1 0 311.466 3.245 10 0 DGAERO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000540733025 435615521 /nfs/dbraw/zinc/61/55/21/435615521.db2.gz GHLUTJVFVVNACS-LSDHHAIUSA-N 1 0 324.350 3.260 10 0 DGAERO COc1nc2ccccc2cc1C[NH2+]CCOCC1CCC1 ZINC000570598052 435634956 /nfs/dbraw/zinc/63/49/56/435634956.db2.gz SZTIISLRGKTJPB-UHFFFAOYSA-N 1 0 300.402 3.150 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000262129831 300323558 /nfs/dbraw/zinc/32/35/58/300323558.db2.gz LJXGAGXEBAYSCU-HHZNCOQUSA-N 1 0 304.478 3.097 10 0 DGAERO C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1ccc(S(C)(=O)=O)cc1 ZINC000655701020 435736872 /nfs/dbraw/zinc/73/68/72/435736872.db2.gz OWJQTYKNUOMXHI-BZPMIXESSA-N 1 0 313.488 3.025 10 0 DGAERO CO[C@@]1(C)CCC[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000520476891 435748949 /nfs/dbraw/zinc/74/89/49/435748949.db2.gz ABMFWBLWOONNTG-SFHVURJKSA-N 1 0 315.417 3.436 10 0 DGAERO CC(=O)c1cc(CN2CCC(F)(c3ccccc3)CC2)on1 ZINC000572613626 435848037 /nfs/dbraw/zinc/84/80/37/435848037.db2.gz ISONFFCNKJTJDW-UHFFFAOYSA-N 1 0 302.349 3.338 10 0 DGAERO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC000551724847 435848099 /nfs/dbraw/zinc/84/80/99/435848099.db2.gz WQAMLUBYLNTFIE-HOTGVXAUSA-N 1 0 313.401 3.188 10 0 DGAERO Cc1cc(CC[NH2+][C@H](C)c2ccc(Br)cn2)on1 ZINC000552099551 435881982 /nfs/dbraw/zinc/88/19/82/435881982.db2.gz MGEQCKMPEKIHKO-SNVBAGLBSA-N 1 0 310.195 3.034 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(F)c(Br)c1F ZINC000662921309 436401324 /nfs/dbraw/zinc/40/13/24/436401324.db2.gz MEWIJTDHSAZTCU-QMMMGPOBSA-N 1 0 321.165 3.039 10 0 DGAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(F)cc1Br ZINC000658352150 436437071 /nfs/dbraw/zinc/43/70/71/436437071.db2.gz TYWIHJXDNOMCJO-SILCLGDVSA-N 1 0 302.187 3.010 10 0 DGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cc(Br)ccc1F ZINC000658357496 436438521 /nfs/dbraw/zinc/43/85/21/436438521.db2.gz VHZUWWAHKIGILD-FKTRJACZSA-N 1 0 302.187 3.010 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@H]2CCc3ncnn3C2)C2CCCC2)cc1 ZINC000188182455 301808006 /nfs/dbraw/zinc/80/80/06/301808006.db2.gz LIRVILHDFIKKDK-PKOBYXMFSA-N 1 0 310.445 3.422 10 0 DGAERO C[C@H]([NH2+]CC1(O)CCSCC1)c1c(F)cccc1Cl ZINC000660199708 436604272 /nfs/dbraw/zinc/60/42/72/436604272.db2.gz BLUBXFUPNXFOQK-JTQLQIEISA-N 1 0 303.830 3.388 10 0 DGAERO Cc1ccsc1[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000159103416 302305211 /nfs/dbraw/zinc/30/52/11/302305211.db2.gz REIDMTIATZUXJP-GDBMZVCRSA-N 1 0 316.470 3.407 10 0 DGAERO NC(=O)[C@]([NH2+]C1CCCCC1)(c1ccc(Cl)cc1)C1CC1 ZINC000037971512 303337459 /nfs/dbraw/zinc/33/74/59/303337459.db2.gz HBJHZLDTSVEILX-QGZVFWFLSA-N 1 0 306.837 3.353 10 0 DGAERO [NH3+]CC1(CC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)CCCCC1 ZINC000262636866 303369660 /nfs/dbraw/zinc/36/96/60/303369660.db2.gz GNGHNOKYFLRJBV-RYTJFDOTSA-N 1 0 304.478 3.323 10 0 DGAERO Cc1ccccc1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170903953 312705432 /nfs/dbraw/zinc/70/54/32/312705432.db2.gz ZXXGIDLYCPBXER-UHFFFAOYSA-N 1 0 314.473 3.262 10 0 DGAERO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000172633839 312752358 /nfs/dbraw/zinc/75/23/58/312752358.db2.gz ICBPJHXXBJQGIQ-ZFWWWQNUSA-N 1 0 316.376 3.219 10 0 DGAERO COC[C@](C)(CCO)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000175854272 312771949 /nfs/dbraw/zinc/77/19/49/312771949.db2.gz SVKKFWNNNQBZOM-IBGZPJMESA-N 1 0 315.413 3.356 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176136674 312773205 /nfs/dbraw/zinc/77/32/05/312773205.db2.gz JKBGSUSVKLFLIQ-CQSZACIVSA-N 1 0 324.494 3.112 10 0 DGAERO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C(C)C)c(OC)c1 ZINC000178579027 312790684 /nfs/dbraw/zinc/79/06/84/312790684.db2.gz ZZVZPAKXQLNCHK-UONOGXRCSA-N 1 0 322.449 3.303 10 0 DGAERO O[C@@H](C[N@@H+]1CCS[C@@H](c2ccccc2)C1)CC(F)(F)F ZINC000376954031 313002248 /nfs/dbraw/zinc/00/22/48/313002248.db2.gz IKYATKUWYKDAKR-CHWSQXEVSA-N 1 0 305.365 3.090 10 0 DGAERO c1ccc([C@H](C[C@H]2CCOC2)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222788 313341965 /nfs/dbraw/zinc/34/19/65/313341965.db2.gz RQQKYVTUCRAZRX-BPQIPLTHSA-N 1 0 300.446 3.029 10 0 DGAERO CC(C)[C@@H]1C[NH2+]CCN1CCOc1c(Cl)cccc1Cl ZINC000530231158 313343884 /nfs/dbraw/zinc/34/38/84/313343884.db2.gz WYIOJKMQWZMAPM-AWEZNQCLSA-N 1 0 317.260 3.302 10 0 DGAERO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@H](O)CC(F)(F)F ZINC000530337170 313358920 /nfs/dbraw/zinc/35/89/20/313358920.db2.gz MNHAHKOGNNARLM-VXGBXAGGSA-N 1 0 305.340 3.438 10 0 DGAERO COc1cc2c(cc1C[NH2+]C1(CCO)CCCCC1)O[C@H](C)C2 ZINC000531429856 313460163 /nfs/dbraw/zinc/46/01/63/313460163.db2.gz ARNWJOHMTQHEJL-CQSZACIVSA-N 1 0 319.445 3.194 10 0 DGAERO Cc1ccc(-c2noc(CN3CCC([NH2+]C(C)C)CC3)n2)cc1 ZINC000533511730 313624596 /nfs/dbraw/zinc/62/45/96/313624596.db2.gz GIDKWZTWRFJXAG-UHFFFAOYSA-N 1 0 314.433 3.007 10 0 DGAERO Cc1c(C(=O)N(C)CCC[NH+](C)C)oc2c1c(C)ccc2C ZINC000537214503 313802866 /nfs/dbraw/zinc/80/28/66/313802866.db2.gz HHRVTKNQVWSPCD-UHFFFAOYSA-N 1 0 302.418 3.382 10 0 DGAERO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]Cc2ccn(C)n2)cc1 ZINC000539063518 313897889 /nfs/dbraw/zinc/89/78/89/313897889.db2.gz JAYFLYKVRGSJOS-DWTRPJMMSA-N 1 0 313.445 3.486 10 0 DGAERO Cc1ccc(C(C)C)c(OCCC(=O)N(C)CCC[NH+](C)C)c1 ZINC000539417244 313911857 /nfs/dbraw/zinc/91/18/57/313911857.db2.gz LPDDLUCJVCSLFG-UHFFFAOYSA-N 1 0 320.477 3.297 10 0 DGAERO Cc1cc2occ(CC(=O)N(C)CCC[NH+](C)C)c2cc1C ZINC000540515234 313964125 /nfs/dbraw/zinc/96/41/25/313964125.db2.gz CKVWWXSNJNZGGJ-UHFFFAOYSA-N 1 0 302.418 3.002 10 0 DGAERO O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)ccc21 ZINC000540953828 313989059 /nfs/dbraw/zinc/98/90/59/313989059.db2.gz FCUUXGISWFPRIC-IAGOWNOFSA-N 1 0 319.470 3.075 10 0 DGAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000541539135 314021912 /nfs/dbraw/zinc/02/19/12/314021912.db2.gz UIDNCWJACKOTIW-BPQIPLTHSA-N 1 0 300.446 3.376 10 0 DGAERO O=C(NC1(c2ccccc2)CCCC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000541840773 314041562 /nfs/dbraw/zinc/04/15/62/314041562.db2.gz NYHMRRRRSOSWPU-SFHVURJKSA-N 1 0 312.457 3.447 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000542153526 314058943 /nfs/dbraw/zinc/05/89/43/314058943.db2.gz HUUBHDMUSRUDBV-PBHICJAKSA-N 1 0 306.425 3.137 10 0 DGAERO Cn1ccc([C@H]([NH2+]C[C@]2(C)CCOC2)c2ccc(Cl)cc2)n1 ZINC000542663208 314089529 /nfs/dbraw/zinc/08/95/29/314089529.db2.gz ASNVRWOEONOMIM-SJORKVTESA-N 1 0 319.836 3.179 10 0 DGAERO C(=C/[C@@H]1CCCCC[N@H+]1CCN1CCOCC1)\c1cccs1 ZINC000543060258 314112205 /nfs/dbraw/zinc/11/22/05/314112205.db2.gz DOFGMKJWDYBRSL-OZSKJFCKSA-N 1 0 320.502 3.338 10 0 DGAERO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc3nccnc32)c1 ZINC000544552647 314197896 /nfs/dbraw/zinc/19/78/96/314197896.db2.gz PAGPUEXIGWXKGD-UHFFFAOYSA-N 1 0 320.396 3.252 10 0 DGAERO COCCCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000544576072 314200059 /nfs/dbraw/zinc/20/00/59/314200059.db2.gz CICKGTASGKGCOC-INIZCTEOSA-N 1 0 307.825 3.179 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000546563626 314311202 /nfs/dbraw/zinc/31/12/02/314311202.db2.gz OJISZESAULBHTB-UHFFFAOYSA-N 1 0 314.351 3.327 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000547276139 314352354 /nfs/dbraw/zinc/35/23/54/314352354.db2.gz VTAWCKYGSHXTMN-UHFFFAOYSA-N 1 0 307.825 3.422 10 0 DGAERO Cc1cc(C)c(CNC(=O)NCC[N@H+]2CC=C(C)CC2)c(C)c1 ZINC000547279453 314353110 /nfs/dbraw/zinc/35/31/10/314353110.db2.gz QKKWBUQDPDOFGG-UHFFFAOYSA-N 1 0 315.461 3.063 10 0 DGAERO c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCOC3(CCOCC3)CC1)C2 ZINC000547388472 314363295 /nfs/dbraw/zinc/36/32/95/314363295.db2.gz PICBWIBCVRLHFZ-QGZVFWFLSA-N 1 0 315.457 3.063 10 0 DGAERO COc1ccc(F)c(NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000547429542 314367010 /nfs/dbraw/zinc/36/70/10/314367010.db2.gz VEKNYVNHDDPSHE-UHFFFAOYSA-N 1 0 308.397 3.427 10 0 DGAERO CC[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)C1CCOCC1 ZINC000560909233 314948310 /nfs/dbraw/zinc/94/83/10/314948310.db2.gz JKTAPGVOBWUSEB-HZPDHXFCSA-N 1 0 305.418 3.011 10 0 DGAERO Brc1cnn(CCCC[NH2+][C@@H]2CCCC23CC3)c1 ZINC000565550479 315270096 /nfs/dbraw/zinc/27/00/96/315270096.db2.gz QLJHTSYMCYRSKH-CYBMUJFWSA-N 1 0 312.255 3.348 10 0 DGAERO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCOCC1CCC1 ZINC000566888856 315380876 /nfs/dbraw/zinc/38/08/76/315380876.db2.gz YYSMINCGBBTGJP-ZDUSSCGKSA-N 1 0 320.433 3.121 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)NCCCC1CC1)c1ccc(Cl)cc1 ZINC000567920100 315461960 /nfs/dbraw/zinc/46/19/60/315461960.db2.gz DSKOTLQXAXZJCS-MRXNPFEDSA-N 1 0 323.868 3.432 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)CC2CCCC2)c2ccccc21 ZINC000573111243 315841857 /nfs/dbraw/zinc/84/18/57/315841857.db2.gz OQNFXLSEHCRSND-WMZOPIPTSA-N 1 0 316.445 3.015 10 0 DGAERO COc1ccc(C[C@@H](C)C[NH2+]CCOCC2CCC2)cc1F ZINC000574130734 315934618 /nfs/dbraw/zinc/93/46/18/315934618.db2.gz OJCLNKIYNAMZPH-CQSZACIVSA-N 1 0 309.425 3.419 10 0 DGAERO Cc1c(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)cccc1N(C)C ZINC000180110985 323221357 /nfs/dbraw/zinc/22/13/57/323221357.db2.gz LUBZCAVXDSDLRO-AWEZNQCLSA-N 1 0 318.465 3.057 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)CCN1C ZINC000180424591 323229312 /nfs/dbraw/zinc/22/93/12/323229312.db2.gz HDLXIQXGOPXOAA-YJBOKZPZSA-N 1 0 312.461 3.002 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C(C)(C)C)cs1 ZINC000180840377 323239566 /nfs/dbraw/zinc/23/95/66/323239566.db2.gz FXMCCOAWGISJNI-ZIAGYGMSSA-N 1 0 307.507 3.499 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000181371470 323252602 /nfs/dbraw/zinc/25/26/02/323252602.db2.gz PPEBJASONNAXPC-GXTWGEPZSA-N 1 0 314.351 3.138 10 0 DGAERO CC(C)COC[C@@H](O)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000181600261 323261061 /nfs/dbraw/zinc/26/10/61/323261061.db2.gz WLIIMSRNEKCALD-YOEHRIQHSA-N 1 0 315.404 3.285 10 0 DGAERO CCC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1ccc(F)cc1F ZINC000181675160 323264355 /nfs/dbraw/zinc/26/43/55/323264355.db2.gz WZSXKUOGQNWEOL-ABAIWWIYSA-N 1 0 319.417 3.076 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000181786007 323269573 /nfs/dbraw/zinc/26/95/73/323269573.db2.gz PBOJTTKKTREHII-ACRUOGEOSA-N 1 0 324.468 3.279 10 0 DGAERO CC1(C)[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H]2CCCO[C@@H]21 ZINC000181856237 323272316 /nfs/dbraw/zinc/27/23/16/323272316.db2.gz AQKXCNYQNYNAFE-MAZHCROVSA-N 1 0 311.372 3.137 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)C1(C)C ZINC000181961310 323276823 /nfs/dbraw/zinc/27/68/23/323276823.db2.gz OMXCNYNIOBHYNJ-MGPQQGTHSA-N 1 0 307.438 3.437 10 0 DGAERO Cc1ccc(CC[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000182009612 323279594 /nfs/dbraw/zinc/27/95/94/323279594.db2.gz GNSLJLZZWLNKGR-MRXNPFEDSA-N 1 0 306.413 3.469 10 0 DGAERO Cc1cccc(OCC[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000182027537 323280198 /nfs/dbraw/zinc/28/01/98/323280198.db2.gz NOSWWXALEWJLMT-MRXNPFEDSA-N 1 0 322.412 3.305 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182037952 323281266 /nfs/dbraw/zinc/28/12/66/323281266.db2.gz LSQURJROFVMCNL-PKOBYXMFSA-N 1 0 324.472 3.256 10 0 DGAERO C[C@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)Cc1ccccc1 ZINC000182059328 323281870 /nfs/dbraw/zinc/28/18/70/323281870.db2.gz PEJBBWAFTWPKIL-PXNSSMCTSA-N 1 0 324.468 3.154 10 0 DGAERO C[C@H](C[NH2+]CCCN(C)CC(F)(F)F)Cc1ccccc1 ZINC000182053632 323282287 /nfs/dbraw/zinc/28/22/87/323282287.db2.gz VJVINMMRGYADRP-AWEZNQCLSA-N 1 0 302.384 3.339 10 0 DGAERO COc1cccc([C@@H](C)[NH2+][C@H](CC(N)=O)C2CCCCC2)c1 ZINC000182075310 323282685 /nfs/dbraw/zinc/28/26/85/323282685.db2.gz AULQUTYCSRPENF-CXAGYDPISA-N 1 0 304.434 3.170 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)C1(C)C ZINC000182076397 323282778 /nfs/dbraw/zinc/28/27/78/323282778.db2.gz RWFZMRJCYQGLKN-RRQGHBQHSA-N 1 0 314.433 3.122 10 0 DGAERO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)C)cc1)[C@@H]1CCCO1 ZINC000182278635 323290048 /nfs/dbraw/zinc/29/00/48/323290048.db2.gz REVFTXDVHUULBI-SJORKVTESA-N 1 0 304.434 3.296 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000182359904 323295213 /nfs/dbraw/zinc/29/52/13/323295213.db2.gz YVHDGMREFUVTRN-SJORKVTESA-N 1 0 318.461 3.297 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3ccccn3)C1)CCCO2 ZINC000182389898 323296909 /nfs/dbraw/zinc/29/69/09/323296909.db2.gz UAOZOCIPFLFZDU-WMZOPIPTSA-N 1 0 323.440 3.472 10 0 DGAERO CCc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1CC ZINC000182727824 323309978 /nfs/dbraw/zinc/30/99/78/323309978.db2.gz UKOQQUHRDRZDRV-QGZVFWFLSA-N 1 0 301.434 3.123 10 0 DGAERO Cn1c(C[NH2+][C@H](Cc2ccccc2)C2CC2)nnc1C1CCC1 ZINC000183419343 323336982 /nfs/dbraw/zinc/33/69/82/323336982.db2.gz HCFRLTREMJIIMC-QGZVFWFLSA-N 1 0 310.445 3.194 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c(F)c1 ZINC000183474660 323338965 /nfs/dbraw/zinc/33/89/65/323338965.db2.gz FKDINSWYDXTCQO-LBPRGKRZSA-N 1 0 319.424 3.468 10 0 DGAERO CCc1noc(-c2ccc(CC[NH2+][C@H]3CCCSC3)cc2)n1 ZINC000183596513 323342746 /nfs/dbraw/zinc/34/27/46/323342746.db2.gz RNLQBXMUUOQCRV-HNNXBMFYSA-N 1 0 317.458 3.327 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCn2ccnn2)c2ccccc12 ZINC000184263153 323360013 /nfs/dbraw/zinc/36/00/13/323360013.db2.gz QRGFNBYBQWXUHW-CQSZACIVSA-N 1 0 310.401 3.181 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000185368833 323387850 /nfs/dbraw/zinc/38/78/50/323387850.db2.gz JEUYNBRHMMQNMS-AWEZNQCLSA-N 1 0 319.367 3.467 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1ccc(OC)cc1OC1CCCC1 ZINC000188076622 323422388 /nfs/dbraw/zinc/42/23/88/323422388.db2.gz XEMGJAUFYCNTIE-AWEZNQCLSA-N 1 0 307.434 3.389 10 0 DGAERO COC[C@H](C)C[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000188170432 323424014 /nfs/dbraw/zinc/42/40/14/323424014.db2.gz KNTNYVWKVKMXCY-GJYPPUQNSA-N 1 0 321.461 3.184 10 0 DGAERO COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000194885024 323481825 /nfs/dbraw/zinc/48/18/25/323481825.db2.gz ZKWNIMUMMALEMK-QFBILLFUSA-N 1 0 311.425 3.266 10 0 DGAERO c1[nH+]cn2ccc(-c3noc([C@H]4OCCc5ccccc54)n3)cc12 ZINC000351076248 323539767 /nfs/dbraw/zinc/53/97/67/323539767.db2.gz LIZLPKDOEOYYJG-INIZCTEOSA-N 1 0 318.336 3.046 10 0 DGAERO C[C@H](CN[C@H]1CCc2sc(Br)cc21)C[NH+](C)C ZINC000383457576 323625302 /nfs/dbraw/zinc/62/53/02/323625302.db2.gz IJATTWBLVMWPLH-KOLCDFICSA-N 1 0 317.296 3.285 10 0 DGAERO OC[C@@H]([NH2+]Cc1cccc(Br)c1)C1CCCCC1 ZINC000386344042 323637566 /nfs/dbraw/zinc/63/75/66/323637566.db2.gz LYMJQBOAYVJRCT-OAHLLOKOSA-N 1 0 312.251 3.480 10 0 DGAERO CCC1CCC(C[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000386483909 323638481 /nfs/dbraw/zinc/63/84/81/323638481.db2.gz WOUMJMHHHKLPKP-UHFFFAOYSA-N 1 0 314.271 3.489 10 0 DGAERO Brc1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc2c1OCCO2 ZINC000580214107 323973203 /nfs/dbraw/zinc/97/32/03/323973203.db2.gz KOTYFAYWJCTASW-YABSGUDNSA-N 1 0 324.218 3.108 10 0 DGAERO CC(C)[N@H+](C)CC1CCN(c2ncnc3c(F)cccc32)CC1 ZINC000583300436 324337257 /nfs/dbraw/zinc/33/72/57/324337257.db2.gz FURHAYGWLRQYJH-UHFFFAOYSA-N 1 0 316.424 3.326 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000583373399 324345636 /nfs/dbraw/zinc/34/56/36/324345636.db2.gz XYDUFDUJZFQSSM-LZWOXQAQSA-N 1 0 322.399 3.059 10 0 DGAERO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414967 324350589 /nfs/dbraw/zinc/35/05/89/324350589.db2.gz KTRAKWHWOPWKAP-LPHOPBHVSA-N 1 0 302.462 3.228 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NCC23CCC(CC2)C3)CC1 ZINC000583767103 324394809 /nfs/dbraw/zinc/39/48/09/324394809.db2.gz PBHAOTNLYBSFOM-UHFFFAOYSA-N 1 0 321.509 3.330 10 0 DGAERO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C2CCOCC2)CC1 ZINC000584504995 337351439 /nfs/dbraw/zinc/35/14/39/337351439.db2.gz XMCCFWUABIDZTI-MRXNPFEDSA-N 1 0 311.466 3.245 10 0 DGAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)C(C)(C)C1 ZINC000584601098 337370803 /nfs/dbraw/zinc/37/08/03/337370803.db2.gz OXQXKJVZYGGXIN-HOTGVXAUSA-N 1 0 304.434 3.422 10 0 DGAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C1 ZINC000584601099 337370821 /nfs/dbraw/zinc/37/08/21/337370821.db2.gz OXQXKJVZYGGXIN-HZPDHXFCSA-N 1 0 304.434 3.422 10 0 DGAERO C[C@H]([NH2+]Cc1ccccc1)[C@H](C)n1cc(Br)cn1 ZINC000584619203 337373289 /nfs/dbraw/zinc/37/32/89/337373289.db2.gz GPAVNDAKDWQFEE-RYUDHWBXSA-N 1 0 308.223 3.385 10 0 DGAERO COc1ccccc1CCC[NH2+]CCOc1ccccc1OC ZINC000584596022 337374038 /nfs/dbraw/zinc/37/40/38/337374038.db2.gz TVCJYPSJPFMORT-UHFFFAOYSA-N 1 0 315.413 3.305 10 0 DGAERO CCOC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000584633677 337377526 /nfs/dbraw/zinc/37/75/26/337377526.db2.gz FYANYRMHEAYEFA-FQEVSTJZSA-N 1 0 309.409 3.393 10 0 DGAERO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000191630324 337825366 /nfs/dbraw/zinc/82/53/66/337825366.db2.gz JYNIQELTCGELNE-QWRGUYRKSA-N 1 0 316.239 3.391 10 0 DGAERO [NH3+]CCc1c2cc(F)ccc2[nH]c1C(F)(F)Br ZINC000536960894 337868833 /nfs/dbraw/zinc/86/88/33/337868833.db2.gz SMAZQYGYZBZUMT-UHFFFAOYSA-N 1 0 307.113 3.252 10 0 DGAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2cc(Cl)nc(C3CC3)n2)CC1 ZINC000301986821 533719654 /nfs/dbraw/zinc/71/96/54/533719654.db2.gz ZNSCYANMQISWSA-GFCCVEGCSA-N 1 0 320.868 3.461 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000176005166 533780239 /nfs/dbraw/zinc/78/02/39/533780239.db2.gz ZLJZZSHTNUKLLQ-HIFRSBDPSA-N 1 0 308.491 3.320 10 0 DGAERO COc1cc(C[N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)ccc1O ZINC000435128418 533789266 /nfs/dbraw/zinc/78/92/66/533789266.db2.gz HLCMLABVWPWSPM-UHFFFAOYSA-N 1 0 313.357 3.016 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccncc2OC)cc1 ZINC000188776448 533804122 /nfs/dbraw/zinc/80/41/22/533804122.db2.gz VNJNHMQFQWSBRO-UONOGXRCSA-N 1 0 300.402 3.381 10 0 DGAERO COc1cccc([C@H]2[C@H](Nc3cc(C)ncn3)CC[N@@H+]2C2CC2)c1 ZINC000302018744 533804830 /nfs/dbraw/zinc/80/48/30/533804830.db2.gz CWMRXGJZTYVFLB-MJGOQNOKSA-N 1 0 324.428 3.184 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000173575513 533891265 /nfs/dbraw/zinc/89/12/65/533891265.db2.gz SACMLLWTJOGCPI-MWLCHTKSSA-N 1 0 315.339 3.050 10 0 DGAERO C[C@H]([NH2+]Cc1ccsc1Br)[C@@H]1CCCOC1 ZINC000309740418 533936512 /nfs/dbraw/zinc/93/65/12/533936512.db2.gz DFIYISPOQXVUDH-GXSJLCMTSA-N 1 0 304.253 3.415 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)NCC2(C)CCC2)[NH+]2CCCC2)o1 ZINC000176635914 534218695 /nfs/dbraw/zinc/21/86/95/534218695.db2.gz CMAWZUYHWLFBQH-OAHLLOKOSA-N 1 0 319.449 3.214 10 0 DGAERO OC[C@H](C[NH2+]Cc1cnc(C(F)(F)F)s1)c1ccccc1 ZINC000443995898 534387403 /nfs/dbraw/zinc/38/74/03/534387403.db2.gz RZGBXHDATRKDBW-NSHDSACASA-N 1 0 316.348 3.028 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000152321075 534395002 /nfs/dbraw/zinc/39/50/02/534395002.db2.gz QBUQXKPKHVIUKG-BXUZGUMPSA-N 1 0 316.214 3.229 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000152315033 534395070 /nfs/dbraw/zinc/39/50/70/534395070.db2.gz WFICQSBEHZFVCR-QMTHXVAHSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1nc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)sc1C ZINC000178797626 534472440 /nfs/dbraw/zinc/47/24/40/534472440.db2.gz WSRIJCRLRXUDCJ-AWEZNQCLSA-N 1 0 324.494 3.249 10 0 DGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157699275 521585591 /nfs/dbraw/zinc/58/55/91/521585591.db2.gz OUCYZQUIRUJIIR-GXTWGEPZSA-N 1 0 322.497 3.290 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(C)cc1 ZINC000089733028 522749730 /nfs/dbraw/zinc/74/97/30/522749730.db2.gz ARMIUOCHSPDSDI-ROUUACIJSA-N 1 0 310.445 3.495 10 0 DGAERO CN(CC[NH+]1CCC([C@@H]2CCCO2)CC1)Cc1ccc(F)cc1 ZINC000189175167 522822570 /nfs/dbraw/zinc/82/25/70/522822570.db2.gz WYHPPHJIEFZBTJ-IBGZPJMESA-N 1 0 320.452 3.149 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCSc3ccccc3)[C@@H]2C1 ZINC000158234427 523710284 /nfs/dbraw/zinc/71/02/84/523710284.db2.gz LMJFVTIHXARTIP-OIISXLGYSA-N 1 0 307.459 3.047 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCSc3ccccc3)[C@@H]2C1 ZINC000158234162 523724277 /nfs/dbraw/zinc/72/42/77/523724277.db2.gz LMJFVTIHXARTIP-DJIMGWMZSA-N 1 0 307.459 3.047 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000163415263 523830538 /nfs/dbraw/zinc/83/05/38/523830538.db2.gz LGPFGDYMSYNWOA-UKRRQHHQSA-N 1 0 319.474 3.058 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000163382242 523833724 /nfs/dbraw/zinc/83/37/24/523833724.db2.gz OHMUENHMWYYTJB-OCCSQVGLSA-N 1 0 314.832 3.241 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000163318022 523834012 /nfs/dbraw/zinc/83/40/12/523834012.db2.gz AKFBHLHABQHOOK-OCCSQVGLSA-N 1 0 314.832 3.241 10 0 DGAERO C[C@@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000163763376 524236879 /nfs/dbraw/zinc/23/68/79/524236879.db2.gz CFWBIVMEZAMTFH-QMTHXVAHSA-N 1 0 304.331 3.404 10 0 DGAERO Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CCO1 ZINC000328625189 534813423 /nfs/dbraw/zinc/81/34/23/534813423.db2.gz CXSSUXRKVWIVML-KDOFPFPSSA-N 1 0 311.385 3.176 10 0 DGAERO COc1ccc(OC)c([C@H](C)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000156603563 524904324 /nfs/dbraw/zinc/90/43/24/524904324.db2.gz QHYUXOBKRREOKN-GJZGRUSLSA-N 1 0 306.450 3.229 10 0 DGAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3cncc(F)c3)CC2)nc1 ZINC000163517723 524941843 /nfs/dbraw/zinc/94/18/43/524941843.db2.gz UGAGTMFZIBRZSS-CQSZACIVSA-N 1 0 314.408 3.244 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1cccc(Cl)c1 ZINC000147951002 525154632 /nfs/dbraw/zinc/15/46/32/525154632.db2.gz IQJTVQGVPBSDAI-YOENINGUSA-N 1 0 306.837 3.438 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1Cl ZINC000148810544 525155246 /nfs/dbraw/zinc/15/52/46/525155246.db2.gz NBZLNUCNORFXGX-VZAMPYOESA-N 1 0 306.837 3.438 10 0 DGAERO Cc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)nc(-c2ccncc2)n1 ZINC000156659731 525299057 /nfs/dbraw/zinc/29/90/57/525299057.db2.gz JFXJLGCBNPIBBS-CQSZACIVSA-N 1 0 313.449 3.235 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCOC2CCCC2)cc1NC(C)=O ZINC000163274193 525318220 /nfs/dbraw/zinc/31/82/20/525318220.db2.gz HVRWZFPETVVVKT-ZDUSSCGKSA-N 1 0 320.433 3.263 10 0 DGAERO c1[nH]c2c(ncnc2NC[C@H]2CCC[NH2+]C2)c1-c1ccccc1 ZINC000073737715 526393259 /nfs/dbraw/zinc/39/32/59/526393259.db2.gz ZJTYHYRILDGXAW-ZDUSSCGKSA-N 1 0 307.401 3.036 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)no1 ZINC000158159147 526423207 /nfs/dbraw/zinc/42/32/07/526423207.db2.gz LAHPBRWTJWRRSI-OAHLLOKOSA-N 1 0 308.385 3.444 10 0 DGAERO c1cc2c(c([C@@H]3CCCN3CCC[NH+]3CCCC3)c1)OCCO2 ZINC000162910529 526438728 /nfs/dbraw/zinc/43/87/28/526438728.db2.gz QETSXZPWVFCKGV-KRWDZBQOSA-N 1 0 316.445 3.081 10 0 DGAERO CC(=O)N1CCC([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000435783977 526548832 /nfs/dbraw/zinc/54/88/32/526548832.db2.gz YLBMJCYEGNIJOO-CZIWCDLHSA-N 1 0 306.837 3.187 10 0 DGAERO Brc1ccccc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415054295 526647215 /nfs/dbraw/zinc/64/72/15/526647215.db2.gz PRLFVERPDYWYPR-CZUORRHYSA-N 1 0 323.278 3.413 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000432583613 527123567 /nfs/dbraw/zinc/12/35/67/527123567.db2.gz HSTFNZYNRQFXDE-MAUKXSAKSA-N 1 0 318.461 3.191 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000432542796 527140030 /nfs/dbraw/zinc/14/00/30/527140030.db2.gz WMTIBASCVPQADD-MRXNPFEDSA-N 1 0 322.493 3.249 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000154789262 527143130 /nfs/dbraw/zinc/14/31/30/527143130.db2.gz QLOZRNAOUKRATQ-HZPDHXFCSA-N 1 0 310.482 3.010 10 0 DGAERO [NH3+]Cc1ccc(C(=O)N[C@@H](c2nccs2)c2ccccc2)cc1 ZINC000156362186 527252243 /nfs/dbraw/zinc/25/22/43/527252243.db2.gz UFFOJSFYRQOZDG-MRXNPFEDSA-N 1 0 323.421 3.121 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1Cl ZINC000415460669 527302698 /nfs/dbraw/zinc/30/26/98/527302698.db2.gz ZEZAETDFSVVZCK-ZUZCIYMTSA-N 1 0 323.824 3.276 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCCCC2)C1 ZINC000237939003 527365372 /nfs/dbraw/zinc/36/53/72/527365372.db2.gz DGFKOQLILOMXDF-RHSMWYFYSA-N 1 0 318.436 3.271 10 0 DGAERO C(c1nc(C2CCCC2)no1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000132362796 527495766 /nfs/dbraw/zinc/49/57/66/527495766.db2.gz WGUZOZYOXOYCBG-UHFFFAOYSA-N 1 0 318.465 3.035 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000328630429 527507230 /nfs/dbraw/zinc/50/72/30/527507230.db2.gz JJVWTJCTSZGDAE-ZWBWRASZSA-N 1 0 311.429 3.191 10 0 DGAERO OCCC1(C[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000157341394 527532880 /nfs/dbraw/zinc/53/28/80/527532880.db2.gz GAIQORBZXUYWBP-UHFFFAOYSA-N 1 0 318.642 3.355 10 0 DGAERO CC(C)C1(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000175571213 527610275 /nfs/dbraw/zinc/61/02/75/527610275.db2.gz VXZVYGLUHHTNOU-INIZCTEOSA-N 1 0 303.450 3.025 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000302579043 527618352 /nfs/dbraw/zinc/61/83/52/527618352.db2.gz DPINDZUAIKNQLI-GWCFXTLKSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cc(F)ccc23)C1 ZINC000192968856 528021026 /nfs/dbraw/zinc/02/10/26/528021026.db2.gz RQUQGMITWIHVET-ZDUSSCGKSA-N 1 0 317.408 3.015 10 0 DGAERO CCC[C@H](CCO)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000159330081 528124699 /nfs/dbraw/zinc/12/46/99/528124699.db2.gz HEOYWDFGQMVKGS-LLVKDONJSA-N 1 0 318.230 3.477 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434575860 528221733 /nfs/dbraw/zinc/22/17/33/528221733.db2.gz PIBVDSIWLKPHQX-RYQLBKOJSA-N 1 0 300.446 3.265 10 0 DGAERO CC[NH+](CC)[C@H](C)CNCc1sccc1Br ZINC000309473328 528268214 /nfs/dbraw/zinc/26/82/14/528268214.db2.gz RFMSZZQLDZHSSD-SNVBAGLBSA-N 1 0 305.285 3.331 10 0 DGAERO CCCC[N@H+](C)CC1CCN(C(=O)NCC2(C)CCC2)CC1 ZINC000174993386 528336998 /nfs/dbraw/zinc/33/69/98/528336998.db2.gz DFJVODFPZZRVDH-UHFFFAOYSA-N 1 0 309.498 3.330 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437717589 528409386 /nfs/dbraw/zinc/40/93/86/528409386.db2.gz BHORYGWNHLOTNY-WSTZPKSXSA-N 1 0 314.473 3.487 10 0 DGAERO CCCOc1ccc(CNC(=O)C[NH2+][C@H](C)C2CCCC2)cc1 ZINC000184647674 528667269 /nfs/dbraw/zinc/66/72/69/528667269.db2.gz LSFUSAZPUNAARN-OAHLLOKOSA-N 1 0 318.461 3.260 10 0 DGAERO CCCOc1cccc(CNC(=O)C[NH2+][C@H](C)C2CCCC2)c1 ZINC000184669254 528755329 /nfs/dbraw/zinc/75/53/29/528755329.db2.gz LQORFCPYXPDIGF-OAHLLOKOSA-N 1 0 318.461 3.260 10 0 DGAERO CCN(Cc1c[nH]c2ccccc12)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000443381455 528760100 /nfs/dbraw/zinc/76/01/00/528760100.db2.gz BXBJBNWYXXNUMU-GJZGRUSLSA-N 1 0 313.445 3.389 10 0 DGAERO CCC1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000177651878 529001673 /nfs/dbraw/zinc/00/16/73/529001673.db2.gz OBOKHIGNNZZWMC-UHFFFAOYSA-N 1 0 300.446 3.479 10 0 DGAERO CC1(C)CN(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC000436243654 529119719 /nfs/dbraw/zinc/11/97/19/529119719.db2.gz XWVBLKLBEBKPFQ-QZTJIDSGSA-N 1 0 302.462 3.023 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000177694683 529191723 /nfs/dbraw/zinc/19/17/23/529191723.db2.gz WNPFANVFFFWHLH-RDJZCZTQSA-N 1 0 318.461 3.420 10 0 DGAERO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(N(C)C)c2C)CC1 ZINC000455068671 535562743 /nfs/dbraw/zinc/56/27/43/535562743.db2.gz GICXDVCSJJZMSW-CQSZACIVSA-N 1 0 318.465 3.009 10 0 DGAERO CC[C@@H](NC(=O)NCCC1CC[NH+](CC)CC1)C1CCCC1 ZINC000454643763 535791220 /nfs/dbraw/zinc/79/12/20/535791220.db2.gz HBKFCGCAKLSXCN-QGZVFWFLSA-N 1 0 309.498 3.376 10 0 DGAERO CC[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)CCO1 ZINC000449128759 535901640 /nfs/dbraw/zinc/90/16/40/535901640.db2.gz ALZRMAWRQNDEDX-FVQBIDKESA-N 1 0 307.434 3.182 10 0 DGAERO CC[C@H](CC(F)(F)F)[NH2+]Cc1c(Br)cnn1C ZINC000487549102 536082620 /nfs/dbraw/zinc/08/26/20/536082620.db2.gz MWNAUIFTYYHOTI-SSDOTTSWSA-N 1 0 314.149 3.003 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc(Br)s1 ZINC000038003285 545674556 /nfs/dbraw/zinc/67/45/56/545674556.db2.gz XXVCPWCKOYLJPG-AEJSXWLSSA-N 1 0 304.253 3.465 10 0 DGAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000054075434 545699405 /nfs/dbraw/zinc/69/94/05/545699405.db2.gz CWHLBGQWIWSJDO-NOZJJQNGSA-N 1 0 301.217 3.265 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073046536 545712056 /nfs/dbraw/zinc/71/20/56/545712056.db2.gz VHNLLDDVOAAIJX-UHFFFAOYSA-N 1 0 323.868 3.357 10 0 DGAERO CC(C)c1csc(NC(=O)NCCC[NH+]2CCCCC2)n1 ZINC000076053035 545733885 /nfs/dbraw/zinc/73/38/85/545733885.db2.gz CVGYSHAYXOYXJZ-UHFFFAOYSA-N 1 0 310.467 3.264 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079545246 545758283 /nfs/dbraw/zinc/75/82/83/545758283.db2.gz KFQBAMLGKFRJED-CQSZACIVSA-N 1 0 301.217 3.094 10 0 DGAERO Cc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1Br ZINC000082325612 545774586 /nfs/dbraw/zinc/77/45/86/545774586.db2.gz GCSWSNMLFZBOOA-LLVKDONJSA-N 1 0 311.223 3.038 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000089454582 545815273 /nfs/dbraw/zinc/81/52/73/545815273.db2.gz HQAFNGGYSXNGAT-JSGCOSHPSA-N 1 0 301.415 3.124 10 0 DGAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000092100038 545843282 /nfs/dbraw/zinc/84/32/82/545843282.db2.gz SOIUWWXRHVALBU-OAHLLOKOSA-N 1 0 318.804 3.310 10 0 DGAERO C[C@@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)N1CCOCC1 ZINC000093371646 545856953 /nfs/dbraw/zinc/85/69/53/545856953.db2.gz GYQHITLMKYOAJQ-WMLDXEAASA-N 1 0 308.491 3.290 10 0 DGAERO COc1ccc2[nH]cc(C3CC[NH+](Cc4cncnc4)CC3)c2c1 ZINC000119650429 545881390 /nfs/dbraw/zinc/88/13/90/545881390.db2.gz BQDITISVXQWQLG-UHFFFAOYSA-N 1 0 322.412 3.346 10 0 DGAERO c1cc([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n[nH]1 ZINC000121295095 545894956 /nfs/dbraw/zinc/89/49/56/545894956.db2.gz XJJZSNCXAJMVAU-OAHLLOKOSA-N 1 0 307.401 3.179 10 0 DGAERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nc2ccccc12 ZINC000123800622 545908892 /nfs/dbraw/zinc/90/88/92/545908892.db2.gz WVJFHKMCVNJZNM-HUUCEWRRSA-N 1 0 311.429 3.098 10 0 DGAERO Cc1cc(F)c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000129305635 545941256 /nfs/dbraw/zinc/94/12/56/545941256.db2.gz MMFZKFTVPAUSRM-CQSZACIVSA-N 1 0 322.399 3.364 10 0 DGAERO COc1ccc2cc(C[NH2+]CC[C@H](C)[S@](C)=O)ccc2c1 ZINC000129503139 545943629 /nfs/dbraw/zinc/94/36/29/545943629.db2.gz YYWGRIPOULEFGH-YEJXKQKISA-N 1 0 305.443 3.095 10 0 DGAERO Clc1ccccc1OCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152332714 546002800 /nfs/dbraw/zinc/00/28/00/546002800.db2.gz CYKUBWIFBMTVCM-HNNXBMFYSA-N 1 0 318.804 3.267 10 0 DGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000180238895 546143212 /nfs/dbraw/zinc/14/32/12/546143212.db2.gz IKJBUZPJKGKDNX-MOPGFXCFSA-N 1 0 322.452 3.452 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000180737257 546148704 /nfs/dbraw/zinc/14/87/04/546148704.db2.gz MVDZWSNDZDRALE-SNVBAGLBSA-N 1 0 300.805 3.435 10 0 DGAERO Cc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000181363396 546157307 /nfs/dbraw/zinc/15/73/07/546157307.db2.gz CJKOUYMCDJISGX-HNNXBMFYSA-N 1 0 314.404 3.410 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CCCC2)cc1 ZINC000181740738 546160586 /nfs/dbraw/zinc/16/05/86/546160586.db2.gz QSEZKXLPWZLMNW-MRXNPFEDSA-N 1 0 318.461 3.385 10 0 DGAERO Cc1ccc(C[N@H+](CCO)Cc2nc3ccccc3nc2C)cc1 ZINC000181975621 546161331 /nfs/dbraw/zinc/16/13/31/546161331.db2.gz KXJUFQYQZILFAI-UHFFFAOYSA-N 1 0 321.424 3.241 10 0 DGAERO CCc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1CC ZINC000182722289 546168368 /nfs/dbraw/zinc/16/83/68/546168368.db2.gz ZDVHXXLBSWJCFL-UHFFFAOYSA-N 1 0 303.450 3.369 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCc1cccs1)c1ccc(Cl)s1 ZINC000183017238 546170661 /nfs/dbraw/zinc/17/06/61/546170661.db2.gz DLYMLZPJLNRJSW-SECBINFHSA-N 1 0 314.863 3.430 10 0 DGAERO C[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCO1 ZINC000183167127 546171766 /nfs/dbraw/zinc/17/17/66/546171766.db2.gz GXESYAWBNUDYOT-FZMZJTMJSA-N 1 0 303.324 3.285 10 0 DGAERO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183134394 546172224 /nfs/dbraw/zinc/17/22/24/546172224.db2.gz OPSJCCKNPCQYBH-ZQIUZPCESA-N 1 0 318.461 3.296 10 0 DGAERO CC(C)(C)CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000183360072 546174993 /nfs/dbraw/zinc/17/49/93/546174993.db2.gz JGDBJABHACURLB-UHFFFAOYSA-N 1 0 302.462 3.451 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)CC2(CO)CC2)c(C)c1 ZINC000186758988 546195781 /nfs/dbraw/zinc/19/57/81/546195781.db2.gz ZMEYHYHPJULFST-UHFFFAOYSA-N 1 0 318.461 3.035 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)s1 ZINC000188420246 546204920 /nfs/dbraw/zinc/20/49/20/546204920.db2.gz WBTPDCJUUUMEPP-AWEZNQCLSA-N 1 0 304.463 3.203 10 0 DGAERO Cc1cc(N[C@H]2CCCOC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000188701454 546207112 /nfs/dbraw/zinc/20/71/12/546207112.db2.gz NTDJUIVUCQBJJA-KRWDZBQOSA-N 1 0 317.477 3.116 10 0 DGAERO COc1cccc(C[NH2+][C@H](Cc2ccccc2)CN(C)C)c1F ZINC000192671822 546235690 /nfs/dbraw/zinc/23/56/90/546235690.db2.gz CJZBHJTWIMMUCD-QGZVFWFLSA-N 1 0 316.420 3.097 10 0 DGAERO O=C(c1coc(C2CCC2)n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000194315589 546247394 /nfs/dbraw/zinc/24/73/94/546247394.db2.gz KEOGNBQONOMIFC-OAHLLOKOSA-N 1 0 317.433 3.033 10 0 DGAERO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccn(C)c2C)c1 ZINC000195121852 546251766 /nfs/dbraw/zinc/25/17/66/546251766.db2.gz RSASCOLBGDKEOA-UHFFFAOYSA-N 1 0 313.445 3.105 10 0 DGAERO Cc1noc2ncnc(NCc3ccc(C[NH+]4CCCC4)cc3)c12 ZINC000195506602 546255608 /nfs/dbraw/zinc/25/56/08/546255608.db2.gz NGSVFWHXPNMBLV-UHFFFAOYSA-N 1 0 323.400 3.134 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(F)cc1Br ZINC000222586818 546266675 /nfs/dbraw/zinc/26/66/75/546266675.db2.gz CUULFJNSQMIGEG-ZYHUDNBSSA-N 1 0 315.230 3.333 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000226393481 546267829 /nfs/dbraw/zinc/26/78/29/546267829.db2.gz BLVOUGAXHVXLBT-UMVBOHGHSA-N 1 0 310.235 3.330 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000227971748 546268838 /nfs/dbraw/zinc/26/88/38/546268838.db2.gz DLPSBDMQNGMLAC-WBVHZDCISA-N 1 0 308.491 3.290 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)c(Br)c1 ZINC000229195285 546272071 /nfs/dbraw/zinc/27/20/71/546272071.db2.gz IXFHNNDQSRUDBN-UKRRQHHQSA-N 1 0 312.251 3.398 10 0 DGAERO CC[C@H]([NH3+])c1cn(CCOc2c(Cl)cccc2Cl)nn1 ZINC000229936762 546272915 /nfs/dbraw/zinc/27/29/15/546272915.db2.gz PMQHAFCHZAWKSR-NSHDSACASA-N 1 0 315.204 3.074 10 0 DGAERO COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000245940886 546301221 /nfs/dbraw/zinc/30/12/21/546301221.db2.gz UIXILILZSXULIY-DNVCBOLYSA-N 1 0 312.413 3.347 10 0 DGAERO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000248457573 546317769 /nfs/dbraw/zinc/31/77/69/546317769.db2.gz MLHSHWQMRNIUNJ-QFBILLFUSA-N 1 0 302.462 3.278 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248591243 546319098 /nfs/dbraw/zinc/31/90/98/546319098.db2.gz LAHRLXBRFGAVPW-TYNCELHUSA-N 1 0 310.825 3.133 10 0 DGAERO COc1ccccc1/C=C\C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000255119318 546334145 /nfs/dbraw/zinc/33/41/45/546334145.db2.gz YQTAZDHKOINHLP-NBEHIINDSA-N 1 0 311.429 3.451 10 0 DGAERO CCc1ccc(C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261681590 546337759 /nfs/dbraw/zinc/33/77/59/546337759.db2.gz GXIBPLPNNRRCOE-NVXWUHKLSA-N 1 0 302.462 3.018 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000261987199 546339101 /nfs/dbraw/zinc/33/91/01/546339101.db2.gz QKLITPJKQRKBKD-LXZKKBNFSA-N 1 0 306.837 3.425 10 0 DGAERO CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)[O-] ZINC000263311779 546341749 /nfs/dbraw/zinc/34/17/49/546341749.db2.gz GQIGTSZFEBEGMX-FBVQUNGASA-N 1 0 316.445 3.025 10 0 DGAERO CC[N@@H+]1CCC[C@H](NCc2cscc2Br)C1 ZINC000304610424 546441037 /nfs/dbraw/zinc/44/10/37/546441037.db2.gz ROPJTAZIHGMMMX-NSHDSACASA-N 1 0 303.269 3.085 10 0 DGAERO C[C@H]([NH2+]CCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)s1 ZINC000313786124 546454045 /nfs/dbraw/zinc/45/40/45/546454045.db2.gz UBHANDWITKRCMS-UTUOFQBUSA-N 1 0 302.871 3.161 10 0 DGAERO c1ccc(N2CCC([NH2+]Cc3ccc4cnccc4c3)CC2)nc1 ZINC000326935984 546480310 /nfs/dbraw/zinc/48/03/10/546480310.db2.gz YUFDZHQKWGOUQC-UHFFFAOYSA-N 1 0 318.424 3.388 10 0 DGAERO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccccc3Cl)n1)OC2 ZINC000329685021 546491079 /nfs/dbraw/zinc/49/10/79/546491079.db2.gz UMMZYRUAXWINCM-CJNGLKHVSA-N 1 0 319.792 3.316 10 0 DGAERO CC(C)c1ccoc1-c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000350390583 546617430 /nfs/dbraw/zinc/61/74/30/546617430.db2.gz MSSLDHVPSRNNEZ-SUMWQHHRSA-N 1 0 317.389 3.379 10 0 DGAERO c1cn(C2CCCC2)nc1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351097497 546628165 /nfs/dbraw/zinc/62/81/65/546628165.db2.gz RBEZOJCJMCOTOW-UHFFFAOYSA-N 1 0 320.356 3.363 10 0 DGAERO COc1ccc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000381802867 546740972 /nfs/dbraw/zinc/74/09/72/546740972.db2.gz UVNVTFSZRTVLQA-DOTOQJQBSA-N 1 0 311.429 3.413 10 0 DGAERO COC[C@H](CCO)[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000484136920 546913286 /nfs/dbraw/zinc/91/32/86/546913286.db2.gz RJGQKHOJKLDQKU-OALUTQOASA-N 1 0 305.462 3.165 10 0 DGAERO COC[C@H](C[NH2+][C@H](Cc1ccccc1)C1CCCCC1)OC ZINC000512279339 546950783 /nfs/dbraw/zinc/95/07/83/546950783.db2.gz MHZKCKQPNXLPIF-RBUKOAKNSA-N 1 0 305.462 3.429 10 0 DGAERO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(O)c2ccccc2c1 ZINC000525942492 546967739 /nfs/dbraw/zinc/96/77/39/546967739.db2.gz KVGIJSHTEKBGTF-KRWDZBQOSA-N 1 0 324.424 3.292 10 0 DGAERO O=C(NCC[NH2+][C@@H](Cc1ccccc1)C1CCCCC1)C1CC1 ZINC000536835037 546991884 /nfs/dbraw/zinc/99/18/84/546991884.db2.gz WXCVMWFMMCRFDG-IBGZPJMESA-N 1 0 314.473 3.294 10 0 DGAERO CN1CC[C@@H]([NH3+])C[C@H]1c1cc(Cl)ccc1Br ZINC000675055756 548148781 /nfs/dbraw/zinc/14/87/81/548148781.db2.gz XJSLWCGHSWHLBV-SKDRFNHKSA-N 1 0 303.631 3.197 10 0 DGAERO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2ccoc21 ZINC000725242765 549811295 /nfs/dbraw/zinc/81/12/95/549811295.db2.gz RSYJSELJPBBFJA-GUYCJALGSA-N 1 0 308.422 3.190 10 0 DGAERO Cc1cc(-n2cc([C@@H]3CCCC[NH2+]3)nn2)ccc1Br ZINC000725263190 549811931 /nfs/dbraw/zinc/81/19/31/549811931.db2.gz UUTNDJWXGRQHFT-ZDUSSCGKSA-N 1 0 321.222 3.153 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000724112417 563496491 /nfs/dbraw/zinc/49/64/91/563496491.db2.gz TYHZIHORGPMALQ-YVEFUNNKSA-N 1 0 322.474 3.414 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@]2(C1)[NH2+]CCc1ccoc12 ZINC000724110089 563496556 /nfs/dbraw/zinc/49/65/56/563496556.db2.gz JNOGVZXADNHJQZ-SCLBCKFNSA-N 1 0 320.433 3.336 10 0 DGAERO CCCCCCOCC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000730774302 574535807 /nfs/dbraw/zinc/53/58/07/574535807.db2.gz ZSBWRMGPAPORGX-KURKYZTESA-N 1 0 324.509 3.447 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)-c2ccccc2C3)C1 ZINC000730937369 574539292 /nfs/dbraw/zinc/53/92/92/574539292.db2.gz RTTFMLHGJZKEGN-HNNXBMFYSA-N 1 0 320.436 3.329 10 0 DGAERO O=C1[C@@H]([NH2+]Cc2nccc3ccccc32)CCN1c1ccccc1 ZINC000731675230 574555451 /nfs/dbraw/zinc/55/54/51/574555451.db2.gz IOYOMYVCCGYUDQ-SFHVURJKSA-N 1 0 317.392 3.130 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)cc1F ZINC000675053662 563860735 /nfs/dbraw/zinc/86/07/35/563860735.db2.gz JWBBOPVFPALTGQ-RISCZKNCSA-N 1 0 312.360 3.364 10 0 DGAERO C/C(=C/C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Cl ZINC000732034677 574565137 /nfs/dbraw/zinc/56/51/37/574565137.db2.gz GBJDHSABBNAPPK-HVCHUGMYSA-N 1 0 318.848 3.438 10 0 DGAERO CC[NH+](CC)CCCCNC(=O)/C=C(\C)c1cccc(F)c1 ZINC000732307162 574571401 /nfs/dbraw/zinc/57/14/01/574571401.db2.gz AMRWXHSNYDFRGF-FYWRMAATSA-N 1 0 306.425 3.467 10 0 DGAERO CC(C)[N@@H+](Cc1ccccc1)CN1C[C@H](c2ccccn2)CC1=O ZINC000733288914 574612911 /nfs/dbraw/zinc/61/29/11/574612911.db2.gz BKAQBIXYWHSCTG-GOSISDBHSA-N 1 0 323.440 3.266 10 0 DGAERO C/C(=C/C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000734447922 574661477 /nfs/dbraw/zinc/66/14/77/574661477.db2.gz ZPHPYNANWQAIEE-BAAYTWLHSA-N 1 0 304.409 3.029 10 0 DGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)/C=C(/C)c1cccc(F)c1 ZINC000736101585 574730583 /nfs/dbraw/zinc/73/05/83/574730583.db2.gz LFEWKGDOHLDSKT-VWILAXROSA-N 1 0 304.409 3.220 10 0 DGAERO CC[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000738311718 574865616 /nfs/dbraw/zinc/86/56/16/574865616.db2.gz JKMQBNBQTBHHAK-ROUUACIJSA-N 1 0 322.468 3.301 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000255194139 575245693 /nfs/dbraw/zinc/24/56/93/575245693.db2.gz QQWFOVGWBFDNQU-YVACAVLKSA-N 1 0 304.409 3.220 10 0 DGAERO c1csc(-c2ccn(CN3CCN(c4ccccc4)CC3)n2)c1 ZINC000730098633 575274708 /nfs/dbraw/zinc/27/47/08/575274708.db2.gz MSYSXAXJQJPWHM-UHFFFAOYSA-N 1 0 324.453 3.391 10 0 DGAERO Cc1cn2c([nH+]1)N[C@@H]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000236044518 575839399 /nfs/dbraw/zinc/83/93/99/575839399.db2.gz SHLMSQSJERUWKQ-UONOGXRCSA-N 1 0 320.437 3.023 10 0 DGAERO Fc1cccc(Br)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000394846819 575946327 /nfs/dbraw/zinc/94/63/27/575946327.db2.gz PGVFKFVSFQVWEQ-JTQLQIEISA-N 1 0 302.187 3.247 10 0 DGAERO CC[N@H+](CC(C)C)CN1C(=O)NC2(CCC(C(C)C)CC2)C1=O ZINC000727818774 576147164 /nfs/dbraw/zinc/14/71/64/576147164.db2.gz WTIHHPHJMFBJFI-UHFFFAOYSA-N 1 0 323.481 3.059 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1 ZINC000727829773 576148173 /nfs/dbraw/zinc/14/81/73/576148173.db2.gz NBMMNQDHSGSJFB-LJQANCHMSA-N 1 0 315.413 3.043 10 0 DGAERO CC[C@H](C)OCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000154278522 620655825 /nfs/dbraw/zinc/65/58/25/620655825.db2.gz IMGHZGUHYIDGFN-FUHWJXTLSA-N 1 0 319.445 3.257 10 0 DGAERO Cc1cccc(NC(=[NH2+])NC[C@](C)(O)c2ccccc2Cl)c1 ZINC000154569636 620687847 /nfs/dbraw/zinc/68/78/47/620687847.db2.gz JERMQURRVRZGMH-KRWDZBQOSA-N 1 0 317.820 3.283 10 0 DGAERO CS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cc(F)ccc2F)C1 ZINC000300684309 617674441 /nfs/dbraw/zinc/67/44/41/617674441.db2.gz ZKBKQWSPXNBKJW-ZOWXZIJZSA-N 1 0 301.402 3.262 10 0 DGAERO O=C(OCCC(F)(F)F)[C@H]1CCCN1Cc1ccccc1 ZINC000111673470 620746747 /nfs/dbraw/zinc/74/67/47/620746747.db2.gz OEVQASSURJBXOX-CYBMUJFWSA-N 1 0 301.308 3.147 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000119777743 617978176 /nfs/dbraw/zinc/97/81/76/617978176.db2.gz ASNSYWWNUHSVOM-HNNXBMFYSA-N 1 0 308.397 3.317 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](Cn3cnc4cc(C)c(C)cc43)C2)c1 ZINC000152937305 620528988 /nfs/dbraw/zinc/52/89/88/620528988.db2.gz ZCYVNAPZYDEFRX-KRWDZBQOSA-N 1 0 323.444 3.453 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)ccc1F ZINC000152997342 620530993 /nfs/dbraw/zinc/53/09/93/620530993.db2.gz CRMDTUMPOQMNOT-GFCCVEGCSA-N 1 0 309.381 3.171 10 0 DGAERO COCCCCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114990237 621071210 /nfs/dbraw/zinc/07/12/10/621071210.db2.gz IMSQDTUSDSUFCK-SFHVURJKSA-N 1 0 319.445 3.259 10 0 DGAERO CCc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000115416178 621111328 /nfs/dbraw/zinc/11/13/28/621111328.db2.gz JIMIAHMNIBJDAH-UHFFFAOYSA-N 1 0 320.433 3.441 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000103305057 621322716 /nfs/dbraw/zinc/32/27/16/621322716.db2.gz MMXSFYJVNSAVSF-CYBMUJFWSA-N 1 0 309.429 3.090 10 0 DGAERO O=C(COC1CCCCC1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117100967 621351400 /nfs/dbraw/zinc/35/14/00/621351400.db2.gz NMXMQHMHQBHZTD-SFHVURJKSA-N 1 0 317.429 3.153 10 0 DGAERO C[N@H+](CCNC(=O)/C=C/c1ccnc2ccccc12)C1CCCC1 ZINC000117791907 621451543 /nfs/dbraw/zinc/45/15/43/621451543.db2.gz RYYFRSQKKAIENU-ZHACJKMWSA-N 1 0 323.440 3.239 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC000202078240 621486965 /nfs/dbraw/zinc/48/69/65/621486965.db2.gz ZAKVFAPCMHTDMY-INIZCTEOSA-N 1 0 304.434 3.218 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000119324422 621647507 /nfs/dbraw/zinc/64/75/07/621647507.db2.gz WQZBZESTUORQIO-IUYQLWOBSA-N 1 0 318.436 3.323 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000119739595 621721416 /nfs/dbraw/zinc/72/14/16/621721416.db2.gz WKYYPBCFILYERX-MRXNPFEDSA-N 1 0 304.434 3.048 10 0 DGAERO C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000123896800 622747768 /nfs/dbraw/zinc/74/77/68/622747768.db2.gz DOZGRVGKBGWZCM-OQPBUACISA-N 1 0 301.217 3.298 10 0 DGAERO C[C@@H]1CC[C@H](C(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000125090771 623311689 /nfs/dbraw/zinc/31/16/89/623311689.db2.gz JBOZZIFXXPNLPL-KBAYOESNSA-N 1 0 317.429 3.009 10 0 DGAERO CSCC[C@H](C)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000130157115 625818304 /nfs/dbraw/zinc/81/83/04/625818304.db2.gz BKURYUNPMJBPOE-GWCFXTLKSA-N 1 0 307.381 3.470 10 0 DGAERO CSCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000130157285 625818544 /nfs/dbraw/zinc/81/85/44/625818544.db2.gz BKURYUNPMJBPOE-MFKMUULPSA-N 1 0 307.381 3.470 10 0 DGAERO C[NH2+][C@H](CNC(=O)OC(C)(C)C)Cc1ccc(Cl)c(C)c1 ZINC000757160677 626753549 /nfs/dbraw/zinc/75/35/49/626753549.db2.gz SFGVPAGMXDYRHP-ZDUSSCGKSA-N 1 0 312.841 3.304 10 0 DGAERO CCN(CC)c1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000757185684 626754003 /nfs/dbraw/zinc/75/40/03/626754003.db2.gz YXLNFSIXAZVJEA-IRXDYDNUSA-N 1 0 318.461 3.178 10 0 DGAERO C[C@H]([NH3+])CCc1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000104063006 630378296 /nfs/dbraw/zinc/37/82/96/630378296.db2.gz OQBIINOQMSDKJA-QMMMGPOBSA-N 1 0 300.189 3.247 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H](c2ccc(C)s2)N2CCOCC2)o1 ZINC000109074671 632039565 /nfs/dbraw/zinc/03/95/65/632039565.db2.gz OSQCMOKTQKODBS-INIZCTEOSA-N 1 0 320.458 3.121 10 0 DGAERO C/C(=C\C(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000185087404 660201084 /nfs/dbraw/zinc/20/10/84/660201084.db2.gz JSLHLYARWYLKQJ-LCJXNMAOSA-N 1 0 302.462 3.268 10 0 DGAERO COc1ccc2c(C[N@@H+]3C[C@@H](C)CC[C@H]3C)cc(=O)oc2c1 ZINC000174008270 659409557 /nfs/dbraw/zinc/40/95/57/659409557.db2.gz WODMZIIDKONDPU-QWHCGFSZSA-N 1 0 301.386 3.422 10 0 DGAERO c1nn(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1-c1ccccc1 ZINC000083114739 660254853 /nfs/dbraw/zinc/25/48/53/660254853.db2.gz YYWUDLHNLUZBCD-IBGZPJMESA-N 1 0 311.429 3.400 10 0 DGAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186677391 660563821 /nfs/dbraw/zinc/56/38/21/660563821.db2.gz COCYVDCIELGGDJ-LEWJYISDSA-N 1 0 323.436 3.468 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)C2CCCCC2)[C@H]1C ZINC000700003372 660608899 /nfs/dbraw/zinc/60/88/99/660608899.db2.gz AZPBFNHTJKKLGK-IJEWVQPXSA-N 1 0 301.496 3.148 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cocn2)CC(C)(C)C1 ZINC000700062297 660612038 /nfs/dbraw/zinc/61/20/38/660612038.db2.gz MAPIPTTZRFKKHQ-ZDUSSCGKSA-N 1 0 323.437 3.190 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1nccs1 ZINC000700753841 660632954 /nfs/dbraw/zinc/63/29/54/660632954.db2.gz SOYOFOPMVMMXGM-GRYCIOLGSA-N 1 0 311.451 3.192 10 0 DGAERO CSC1(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CCC1 ZINC000700756884 660632983 /nfs/dbraw/zinc/63/29/83/660632983.db2.gz NCXLUCUFOIHMSD-QWHCGFSZSA-N 1 0 314.495 3.260 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCCSCC2)CCN1C(=O)OC(C)(C)C ZINC000700757718 660633039 /nfs/dbraw/zinc/63/30/39/660633039.db2.gz UIBBKMQTKZYMEW-MCIONIFRSA-N 1 0 314.495 3.260 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]C[C@]2(C)CCCS2)CCN1C(=O)OC(C)(C)C ZINC000700756214 660633112 /nfs/dbraw/zinc/63/31/12/660633112.db2.gz FPYPOOMABVPSGF-WWGRRREGSA-N 1 0 314.495 3.260 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cccc(O)c1 ZINC000700744586 660634471 /nfs/dbraw/zinc/63/44/71/660634471.db2.gz ZZPJFCLNLWXJHX-HEHGZKQESA-N 1 0 320.433 3.441 10 0 DGAERO C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000700749354 660634902 /nfs/dbraw/zinc/63/49/02/660634902.db2.gz LRDDIANCDVJLBO-NTZNESFSSA-N 1 0 312.866 3.077 10 0 DGAERO CSCCCC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701917870 660691528 /nfs/dbraw/zinc/69/15/28/660691528.db2.gz CORVQQBRJJJKCW-UHFFFAOYSA-N 1 0 314.495 3.119 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000701934629 660692958 /nfs/dbraw/zinc/69/29/58/660692958.db2.gz IIYBNSBITOKBRL-CHWSQXEVSA-N 1 0 318.408 3.268 10 0 DGAERO Cc1csc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000701955309 660693563 /nfs/dbraw/zinc/69/35/63/660693563.db2.gz ANJWAZUTMUCSFD-PWSUYJOCSA-N 1 0 313.467 3.405 10 0 DGAERO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]C3CSC3)c21 ZINC000701971844 660695983 /nfs/dbraw/zinc/69/59/83/660695983.db2.gz CKLONJKDJBYCGO-UHFFFAOYSA-N 1 0 320.458 3.189 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000701992218 660696411 /nfs/dbraw/zinc/69/64/11/660696411.db2.gz GQLVBRXEYJWWCG-YIYPIFLZSA-N 1 0 314.495 3.306 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000701986954 660696609 /nfs/dbraw/zinc/69/66/09/660696609.db2.gz OXHUHBJMKPSIQQ-VXGBXAGGSA-N 1 0 302.484 3.163 10 0 DGAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(CCC(C)(C)C)no1 ZINC000702210990 660714132 /nfs/dbraw/zinc/71/41/32/660714132.db2.gz ZTUGNIBNEHUPNA-HNNXBMFYSA-N 1 0 316.449 3.180 10 0 DGAERO Cc1ccccc1-c1noc([C@@H](N)C[N@@H+](C)Cc2ccccc2)n1 ZINC000702212369 660716253 /nfs/dbraw/zinc/71/62/53/660716253.db2.gz GAZXIBLYKMVSCS-KRWDZBQOSA-N 1 0 322.412 3.177 10 0 DGAERO CCn1nc(C[NH2+]CCC2SCCS2)c2ccccc21 ZINC000703298864 660777180 /nfs/dbraw/zinc/77/71/80/660777180.db2.gz HRIKIXCBXDFGMJ-UHFFFAOYSA-N 1 0 307.488 3.342 10 0 DGAERO c1csc(-c2n[nH]cc2C[NH2+]CCC2SCCS2)c1 ZINC000703378669 660778124 /nfs/dbraw/zinc/77/81/24/660778124.db2.gz LEGOAQQZGMZSTL-UHFFFAOYSA-N 1 0 311.501 3.424 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]Cc2ccncc2C)CCN1C(=O)OC(C)(C)C ZINC000704629006 660813982 /nfs/dbraw/zinc/81/39/82/660813982.db2.gz JIWATNALJWOBIK-JKSUJKDBSA-N 1 0 319.449 3.268 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@@H](COC)C(C)C)CCN1C(=O)OC(C)(C)C ZINC000704640363 660814067 /nfs/dbraw/zinc/81/40/67/660814067.db2.gz CNDDDCBZLOALNH-SOUVJXGZSA-N 1 0 314.470 3.035 10 0 DGAERO C[C@@]12CN(C(=O)c3ccco3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000705934479 660839881 /nfs/dbraw/zinc/83/98/81/660839881.db2.gz QFIHLSIHZKXECS-WOJBJXKFSA-N 1 0 324.424 3.264 10 0 DGAERO Brc1ccc2oc(N[C@@H]3CC[N@@H+](C4CC4)C3)nc2c1 ZINC000705911902 660840970 /nfs/dbraw/zinc/84/09/70/660840970.db2.gz UYEHAHDFJNCQOK-SNVBAGLBSA-N 1 0 322.206 3.239 10 0 DGAERO C[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCCO1 ZINC000705994926 660841370 /nfs/dbraw/zinc/84/13/70/660841370.db2.gz AHGDIOVSUKLJIS-HOCLYGCPSA-N 1 0 324.465 3.101 10 0 DGAERO C[C@@H]1[C@H]([NH2+]CC[C@H]2CC2(F)F)CCCN1C(=O)OC(C)(C)C ZINC000706512986 660861907 /nfs/dbraw/zinc/86/19/07/660861907.db2.gz PJDYSWSHHVHHFD-FRRDWIJNSA-N 1 0 318.408 3.409 10 0 DGAERO CSC1CC([NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000708307365 660919859 /nfs/dbraw/zinc/91/98/59/660919859.db2.gz UXONMVOWDZMDBE-RKWZHAFESA-N 1 0 301.253 3.389 10 0 DGAERO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000708599344 660924423 /nfs/dbraw/zinc/92/44/23/660924423.db2.gz RGEZQMUOKWSSDQ-DGCLKSJQSA-N 1 0 317.260 3.101 10 0 DGAERO C[C@H]([NH2+]Cc1nn(C)cc1Br)[C@@]12C[C@@H]1CCCC2 ZINC000709245850 660927647 /nfs/dbraw/zinc/92/76/47/660927647.db2.gz MAYXEEFWULBORU-COPLHBTASA-N 1 0 312.255 3.241 10 0 DGAERO CSCC[NH2+][C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000709389468 660928030 /nfs/dbraw/zinc/92/80/30/660928030.db2.gz IRJKFSHXCZTNRQ-MQYQWHSLSA-N 1 0 314.495 3.116 10 0 DGAERO C[C@@H](F)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709317253 660928142 /nfs/dbraw/zinc/92/81/42/660928142.db2.gz MTBKISKXWKVULD-RFGFWPKPSA-N 1 0 300.418 3.112 10 0 DGAERO CCC(F)(F)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709473182 660928466 /nfs/dbraw/zinc/92/84/66/660928466.db2.gz XZVHOPDWKAFATK-AVGNSLFASA-N 1 0 318.408 3.409 10 0 DGAERO CC(C)(C)S(=O)(=O)CC[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000711844207 660964076 /nfs/dbraw/zinc/96/40/76/660964076.db2.gz XYOGZCYFVKZFTI-HNNXBMFYSA-N 1 0 301.496 3.148 10 0 DGAERO CC[C@](C)(O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000087011582 660964264 /nfs/dbraw/zinc/96/42/64/660964264.db2.gz AMHOMFXLWMBBMP-OCCSQVGLSA-N 1 0 314.223 3.023 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@H]2CCCC2(F)F)C1 ZINC000711486108 660955212 /nfs/dbraw/zinc/95/52/12/660955212.db2.gz ZXFOYHLUZBDIRS-MCIGGMRASA-N 1 0 304.381 3.067 10 0 DGAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cscn1 ZINC000711493450 660955234 /nfs/dbraw/zinc/95/52/34/660955234.db2.gz UXEXVINLJMZASZ-UNXYVOJBSA-N 1 0 311.451 3.097 10 0 DGAERO CC(C)(C)OCCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711492656 660955501 /nfs/dbraw/zinc/95/55/01/660955501.db2.gz RRACBQXTLDDCND-OKILXGFUSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3nccs3)CCC[C@@H]12 ZINC000711651672 660961520 /nfs/dbraw/zinc/96/15/20/660961520.db2.gz UQVZBVAAVCJHCT-WBMJQRKESA-N 1 0 323.462 3.165 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cscc1Br ZINC000286312042 655537364 /nfs/dbraw/zinc/53/73/64/655537364.db2.gz CYMITYUUSMXVHI-SKDRFNHKSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C\c1ccnc2ccccc12 ZINC000255108105 655599058 /nfs/dbraw/zinc/59/90/58/655599058.db2.gz BUWGXAYBKPDHSZ-ZBTGYSDGSA-N 1 0 323.440 3.239 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(Br)s2)CS1 ZINC000713638874 655642045 /nfs/dbraw/zinc/64/20/45/655642045.db2.gz VFDPMYFGQCGQCL-HTQZYQBOSA-N 1 0 307.282 3.279 10 0 DGAERO Cc1nc(C)c(C[NH2+]CCc2sccc2Br)o1 ZINC000723649162 655711688 /nfs/dbraw/zinc/71/16/88/655711688.db2.gz IUFMPNLEHTVKDY-UHFFFAOYSA-N 1 0 315.236 3.448 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)s1 ZINC000723882131 655728396 /nfs/dbraw/zinc/72/83/96/655728396.db2.gz HURYRBNWLYNBDF-NSHDSACASA-N 1 0 303.493 3.032 10 0 DGAERO CC(C)(C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C)CS(C)(=O)=O ZINC000723883396 655728461 /nfs/dbraw/zinc/72/84/61/655728461.db2.gz PMFYCZFAOGAZCZ-KGLIPLIRSA-N 1 0 303.512 3.252 10 0 DGAERO C[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)C[C@H]1CC[NH3+] ZINC000723891472 655728963 /nfs/dbraw/zinc/72/89/63/655728963.db2.gz NLMCTDRBRPUEJQ-RKDXNWHRSA-N 1 0 307.747 3.175 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000723987301 655733543 /nfs/dbraw/zinc/73/35/43/655733543.db2.gz MEQIWYOQKTYJSL-QYZOEREBSA-N 1 0 302.462 3.056 10 0 DGAERO CC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCCOC1 ZINC000724010392 655736116 /nfs/dbraw/zinc/73/61/16/655736116.db2.gz OPUAGNRUNVDVFV-KGLIPLIRSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@]23C[C@H]2CCC3)C1 ZINC000724037334 655737774 /nfs/dbraw/zinc/73/77/74/655737774.db2.gz AIPKJGIMNHMJNB-BSXFFOKHSA-N 1 0 308.466 3.460 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000724070865 655739997 /nfs/dbraw/zinc/73/99/97/655739997.db2.gz FPPKZLCVPIRLSE-JHJVBQTASA-N 1 0 318.408 3.315 10 0 DGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCC1CC=CC1 ZINC000724182115 655747752 /nfs/dbraw/zinc/74/77/52/655747752.db2.gz RTILCRZXJOPFJU-UHFFFAOYSA-N 1 0 313.850 3.189 10 0 DGAERO CCc1ncsc1C(=O)OCCC[N@H+](C)Cc1ccccc1 ZINC000161184700 655770405 /nfs/dbraw/zinc/77/04/05/655770405.db2.gz GDJYAPZWNDFFLQ-UHFFFAOYSA-N 1 0 318.442 3.384 10 0 DGAERO CC1CC[NH+](CCNC(=O)/C=C\c2ccnc3ccccc23)CC1 ZINC000255513924 655783631 /nfs/dbraw/zinc/78/36/31/655783631.db2.gz HOXMZANDPVIYHQ-SREVYHEPSA-N 1 0 323.440 3.096 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C(/C)c1ccccc1OC ZINC000255515700 655783953 /nfs/dbraw/zinc/78/39/53/655783953.db2.gz HQZJPYWZHUCQJJ-KGAUPUERSA-N 1 0 316.445 3.041 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN(C)[C@H]2CCC[NH2+]CC2)s1 ZINC000262126680 655785448 /nfs/dbraw/zinc/78/54/48/655785448.db2.gz NFPHCWXWUBMGCG-JTQLQIEISA-N 1 0 307.385 3.044 10 0 DGAERO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cn(C)nc1Br ZINC000712396739 661188046 /nfs/dbraw/zinc/18/80/46/661188046.db2.gz IORYBZDINGAXCN-ZWNOBZJWSA-N 1 0 300.244 3.241 10 0 DGAERO Cn1cc(C[NH2+]CC2CCC3(CC3)CC2)c(Br)n1 ZINC000712426815 661188048 /nfs/dbraw/zinc/18/80/48/661188048.db2.gz TZBLWOLQOUPXLK-UHFFFAOYSA-N 1 0 312.255 3.243 10 0 DGAERO C[C@@H](C[NH3+])c1noc(-c2ccc(Cl)c(Br)c2)n1 ZINC000235156579 655813297 /nfs/dbraw/zinc/81/32/97/655813297.db2.gz OSGFLRBHAZRWAG-LURJTMIESA-N 1 0 316.586 3.215 10 0 DGAERO CC1(C)CC[NH2+]CCN1C(=O)CSc1ccccc1Cl ZINC000712564160 661189480 /nfs/dbraw/zinc/18/94/80/661189480.db2.gz CBRAQMSGURUEDJ-UHFFFAOYSA-N 1 0 312.866 3.033 10 0 DGAERO Cc1nn(C)c(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)c1Br ZINC000712682604 661189545 /nfs/dbraw/zinc/18/95/45/661189545.db2.gz AMNXSQCRAMGMLK-NEPJUHHUSA-N 1 0 312.255 3.017 10 0 DGAERO CC[C@H]1COC[C@H]1[NH2+]CCc1sccc1Br ZINC000713045249 661189828 /nfs/dbraw/zinc/18/98/28/661189828.db2.gz LZKRIGPALCVRGV-GXSJLCMTSA-N 1 0 304.253 3.068 10 0 DGAERO C[C@H](C[C@H]1CCOC1)[NH2+]CCc1sccc1Br ZINC000713033671 661189835 /nfs/dbraw/zinc/18/98/35/661189835.db2.gz BBVXQNIDPRFZME-GHMZBOCLSA-N 1 0 318.280 3.458 10 0 DGAERO Cc1cc(C[NH2+]CCc2sccc2Br)on1 ZINC000713081733 661190139 /nfs/dbraw/zinc/19/01/39/661190139.db2.gz MDMXRGNBKNXSQI-UHFFFAOYSA-N 1 0 301.209 3.139 10 0 DGAERO Cc1ncc(C[NH2+]CCc2sccc2Br)o1 ZINC000713078207 661190190 /nfs/dbraw/zinc/19/01/90/661190190.db2.gz HZJTULXVWPIQTO-UHFFFAOYSA-N 1 0 301.209 3.139 10 0 DGAERO CO[C@@H](C[NH2+]CCc1sccc1Br)C1CC1 ZINC000713053374 661190218 /nfs/dbraw/zinc/19/02/18/661190218.db2.gz NTBRAVHEHGJRCH-NSHDSACASA-N 1 0 304.253 3.068 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCc2sccc2Br)[C@@H](C)O1 ZINC000713114954 661190219 /nfs/dbraw/zinc/19/02/19/661190219.db2.gz BOLCHFWSHLYBKQ-KKZNHRDASA-N 1 0 304.253 3.209 10 0 DGAERO Cc1ccc(-c2noc(CC[C@@H](C)[NH3+])n2)cc1Br ZINC000235167715 655822666 /nfs/dbraw/zinc/82/26/66/655822666.db2.gz GVCNHSOPNQFVNG-SECBINFHSA-N 1 0 310.195 3.087 10 0 DGAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721558678 655825140 /nfs/dbraw/zinc/82/51/40/655825140.db2.gz BDKAFQXHINRJOM-HZSPNIEDSA-N 1 0 314.470 3.083 10 0 DGAERO Brc1cnc(C[NH2+]CC[C@@H]2CCSC2)s1 ZINC000713638932 661193016 /nfs/dbraw/zinc/19/30/16/661193016.db2.gz VRQDXPGJZGZSDG-MRVPVSSYSA-N 1 0 307.282 3.138 10 0 DGAERO CCc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000052966170 655848469 /nfs/dbraw/zinc/84/84/69/655848469.db2.gz DQXWXPZTJSQEIV-HNNXBMFYSA-N 1 0 302.443 3.343 10 0 DGAERO COCC1CC([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000713917325 661194547 /nfs/dbraw/zinc/19/45/47/661194547.db2.gz NTEZKKUALRZGBY-NUYPLMSZSA-N 1 0 312.251 3.395 10 0 DGAERO COCc1cccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000309689140 655875688 /nfs/dbraw/zinc/87/56/88/655875688.db2.gz VDYZAGBAMYBLBN-WAYWQWQTSA-N 1 0 320.433 3.004 10 0 DGAERO CC[C@@H](CC1CCCCC1)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714338623 661198790 /nfs/dbraw/zinc/19/87/90/661198790.db2.gz ONGUECCPBUJBKQ-JKSUJKDBSA-N 1 0 301.496 3.292 10 0 DGAERO CC[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000714366022 661199182 /nfs/dbraw/zinc/19/91/82/661199182.db2.gz NTJRVJONULIQFV-GJZGRUSLSA-N 1 0 315.866 3.348 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C(\C)c1ccccc1OC ZINC000177043010 655890477 /nfs/dbraw/zinc/89/04/77/655890477.db2.gz HQZJPYWZHUCQJJ-MDJJKAFGSA-N 1 0 316.445 3.041 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000714457947 661200533 /nfs/dbraw/zinc/20/05/33/661200533.db2.gz GUDYZAFCMGCNQZ-ZBINZKHDSA-N 1 0 310.235 3.451 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000714460222 661200925 /nfs/dbraw/zinc/20/09/25/661200925.db2.gz QLNAGFUROFYXIG-AOOOYVTPSA-N 1 0 302.187 3.103 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000715076975 661207758 /nfs/dbraw/zinc/20/77/58/661207758.db2.gz NPQPVIOBWIPVBC-UPJWGTAASA-N 1 0 318.408 3.315 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)C1 ZINC000255905491 655964146 /nfs/dbraw/zinc/96/41/46/655964146.db2.gz AYAFUVFZLRMNQZ-SDMNGIDPSA-N 1 0 300.446 3.160 10 0 DGAERO [NH3+][C@H]1C[C@H](CNc2ncc(Br)cc2C(F)(F)F)C1 ZINC000715134783 661209579 /nfs/dbraw/zinc/20/95/79/661209579.db2.gz QYTHBBYZQJTBLT-FKQCQYRASA-N 1 0 324.144 3.012 10 0 DGAERO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccns1 ZINC000716019586 661216853 /nfs/dbraw/zinc/21/68/53/661216853.db2.gz ISDQUBALRPFIGW-VXGBXAGGSA-N 1 0 313.467 3.487 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccns1 ZINC000715973138 661217370 /nfs/dbraw/zinc/21/73/70/661217370.db2.gz BIIWUTJRNYKJOW-DZKIICNBSA-N 1 0 301.459 3.457 10 0 DGAERO C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1ccc(Cl)cc1Cl ZINC000716093606 661217384 /nfs/dbraw/zinc/21/73/84/661217384.db2.gz IOVNYTOCOGXFRY-MFAVDMRSSA-N 1 0 322.257 3.220 10 0 DGAERO Cc1ccnc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000328164228 656055929 /nfs/dbraw/zinc/05/59/29/656055929.db2.gz ITPZHXGYUPUNIM-GOEBONIOSA-N 1 0 319.449 3.125 10 0 DGAERO Cc1ncccc1C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178323007 656057926 /nfs/dbraw/zinc/05/79/26/656057926.db2.gz FTUHBKUCZTXYBE-SFHVURJKSA-N 1 0 324.424 3.459 10 0 DGAERO CN1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@@H]1c1cccnc1 ZINC000328623945 656063729 /nfs/dbraw/zinc/06/37/29/656063729.db2.gz CEIQZBACPIKWEK-FETDAWAGSA-N 1 0 307.441 3.377 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCO1)CCO2 ZINC000037215306 661220986 /nfs/dbraw/zinc/22/09/86/661220986.db2.gz VPZRVVCKNJHAMC-AAEUAGOBSA-N 1 0 312.207 3.041 10 0 DGAERO Cc1n[nH]c(C[NH2+]Cc2ccc(Br)s2)c1C ZINC000716457346 661224060 /nfs/dbraw/zinc/22/40/60/661224060.db2.gz WTUZAOSFKJYWDQ-UHFFFAOYSA-N 1 0 300.225 3.140 10 0 DGAERO CSCCCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183179488 656111206 /nfs/dbraw/zinc/11/12/06/656111206.db2.gz FWUMHBJHZFHIOJ-MRXNPFEDSA-N 1 0 307.459 3.337 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000309696659 656114640 /nfs/dbraw/zinc/11/46/40/656114640.db2.gz TZPAFDGROUVNCK-PLNGDYQASA-N 1 0 315.417 3.338 10 0 DGAERO Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000309789569 656118761 /nfs/dbraw/zinc/11/87/61/656118761.db2.gz GRVIUBITLPJZRQ-WAYWQWQTSA-N 1 0 308.397 3.305 10 0 DGAERO Cc1cc(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)on1 ZINC000716648901 661226107 /nfs/dbraw/zinc/22/61/07/661226107.db2.gz FTBUNNVGNPFHLH-KSZLIROESA-N 1 0 311.429 3.126 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000309950665 656127140 /nfs/dbraw/zinc/12/71/40/656127140.db2.gz GAFVMGVQZNDQTE-SWLSCSKDSA-N 1 0 308.466 3.458 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(F)cc1Br ZINC000716885675 661230060 /nfs/dbraw/zinc/23/00/60/661230060.db2.gz NXKUBDLSOYIHFB-BXKDBHETSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000716968677 661236504 /nfs/dbraw/zinc/23/65/04/661236504.db2.gz KFFHOFODPWEXBV-WCBMZHEXSA-N 1 0 322.193 3.366 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000178443553 656321859 /nfs/dbraw/zinc/32/18/59/656321859.db2.gz YNYFNUFTMWLIAK-IRXDYDNUSA-N 1 0 301.361 3.145 10 0 DGAERO Brc1ccoc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722316302 656422086 /nfs/dbraw/zinc/42/20/86/656422086.db2.gz PKOXBCNCIUYKIC-CMPLNLGQSA-N 1 0 300.196 3.089 10 0 DGAERO CC(C)O[C@@]1(C[NH2+]Cc2cc(Cl)ccc2F)CCOC1 ZINC000722356957 656509590 /nfs/dbraw/zinc/50/95/90/656509590.db2.gz LTVRCUCFWCCOLC-OAHLLOKOSA-N 1 0 301.789 3.153 10 0 DGAERO CC(C)O[C@]1(C[NH2+]Cc2ccc(F)cc2Cl)CCOC1 ZINC000722357205 656510689 /nfs/dbraw/zinc/51/06/89/656510689.db2.gz NJUPILQITTVAEN-HNNXBMFYSA-N 1 0 301.789 3.153 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000724912750 656529634 /nfs/dbraw/zinc/52/96/34/656529634.db2.gz JFKPVFXVFWOTHN-SYYJFZTOSA-N 1 0 309.409 3.269 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(Cl)cn1 ZINC000722398584 656659617 /nfs/dbraw/zinc/65/96/17/656659617.db2.gz NSZZCMKWGUFIKH-MKPLZMMCSA-N 1 0 308.731 3.496 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000187363732 661284902 /nfs/dbraw/zinc/28/49/02/661284902.db2.gz NMWMEXQCMLHMHH-YPMHNXCESA-N 1 0 311.813 3.163 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000226378297 656815789 /nfs/dbraw/zinc/81/57/89/656815789.db2.gz XCHQJMPLKFOZNW-UHFFFAOYSA-N 1 0 315.417 3.239 10 0 DGAERO C[C@@H](C[NH3+])c1noc(-c2cccc(Br)c2Cl)n1 ZINC000228455626 656854289 /nfs/dbraw/zinc/85/42/89/656854289.db2.gz WVCIBLNYQVANJV-LURJTMIESA-N 1 0 316.586 3.215 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])c1ccc(Cl)s1 ZINC000094750523 656896087 /nfs/dbraw/zinc/89/60/87/656896087.db2.gz NERRRMOCBSBURF-AXFHLTTASA-N 1 0 300.855 3.486 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC[C@@H]([C@@H](C)[NH3+])C3)c2c1C ZINC000261680965 656964944 /nfs/dbraw/zinc/96/49/44/656964944.db2.gz MKKAYJSNFWWTIL-ZWNOBZJWSA-N 1 0 304.463 3.180 10 0 DGAERO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCC[C@H]1O ZINC000245526909 656981260 /nfs/dbraw/zinc/98/12/60/656981260.db2.gz AUXNVWGFJFODMS-IAQYHMDHSA-N 1 0 312.797 3.231 10 0 DGAERO [NH3+][C@H](CC(=O)NCc1ccccc1OCc1ccccc1)C1CC1 ZINC000310360158 657070170 /nfs/dbraw/zinc/07/01/70/657070170.db2.gz SMAPEVIOCIEGAI-GOSISDBHSA-N 1 0 324.424 3.009 10 0 DGAERO CN(Cc1cccc(OC(F)(F)F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000262042022 657297340 /nfs/dbraw/zinc/29/73/40/657297340.db2.gz PEWUZDFEPJEJMH-AWEZNQCLSA-N 1 0 302.340 3.017 10 0 DGAERO CC[C@@](C)(O)C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000249421212 657407167 /nfs/dbraw/zinc/40/71/67/657407167.db2.gz XCQAMNKDJLDEPB-RHSMWYFYSA-N 1 0 316.486 3.019 10 0 DGAERO CO[C@@H]1C[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC[C@H]1C ZINC000251935653 657552313 /nfs/dbraw/zinc/55/23/13/657552313.db2.gz UGLJUDOHSPPUNA-SRCQZFHVSA-N 1 0 322.836 3.190 10 0 DGAERO COc1cccc([C@@H]2CC[N@H+](C/C=C\c3ccco3)C[C@H]2O)c1 ZINC000096747901 657553959 /nfs/dbraw/zinc/55/39/59/657553959.db2.gz CKGMYHLHUNRBBC-DWSUNZNQSA-N 1 0 313.397 3.152 10 0 DGAERO CC(C)/C=C\C(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000096794737 657556170 /nfs/dbraw/zinc/55/61/70/657556170.db2.gz MTEGXMIIEALPJW-SYGIOELKSA-N 1 0 314.473 3.412 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(CSc2ccc(F)cc2)no1 ZINC000097329198 657631859 /nfs/dbraw/zinc/63/18/59/657631859.db2.gz IJVCXXMWKULQNT-GXFFZTMASA-N 1 0 307.394 3.343 10 0 DGAERO CO[C@@H]1C[N@H+](Cn2ccc(-c3ccc(F)cc3)n2)CC[C@@H]1C ZINC000253294731 657667568 /nfs/dbraw/zinc/66/75/68/657667568.db2.gz HTYUAOUNXZVLBB-SUMWQHHRSA-N 1 0 303.381 3.004 10 0 DGAERO C[C@@H]1C[C@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000720658530 658055863 /nfs/dbraw/zinc/05/58/63/658055863.db2.gz DSFXLLKIXYAASC-LMINUHAASA-N 1 0 308.466 3.410 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)o1 ZINC000720850265 658150864 /nfs/dbraw/zinc/15/08/64/658150864.db2.gz PAXFRYRDBDDWQW-ADEWGFFLSA-N 1 0 300.196 3.089 10 0 DGAERO C[C@H](c1ccccc1Cl)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720876447 658155116 /nfs/dbraw/zinc/15/51/16/658155116.db2.gz ISMMIPVGFLFIBI-JFGNBEQYSA-N 1 0 306.759 3.470 10 0 DGAERO COC(=O)c1cnc([C@@H](C)[NH2+]CC2(C)CC(F)(F)C2)s1 ZINC000720928959 658236953 /nfs/dbraw/zinc/23/69/53/658236953.db2.gz RAKDQLDWQNDYDT-MRVPVSSYSA-N 1 0 304.362 3.016 10 0 DGAERO OC1(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000109746526 658239300 /nfs/dbraw/zinc/23/93/00/658239300.db2.gz RXDXOJSYHVDXDV-UHFFFAOYSA-N 1 0 308.853 3.157 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CC1(C)CC(F)(F)C1 ZINC000720959520 658255905 /nfs/dbraw/zinc/25/59/05/658255905.db2.gz CIWKNKNLKHGDKG-GFCCVEGCSA-N 1 0 318.408 3.411 10 0 DGAERO Clc1cc(Cl)cc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)c1 ZINC000721195539 658647112 /nfs/dbraw/zinc/64/71/12/658647112.db2.gz VYDFLXSCNGLPKM-WOPDTQHZSA-N 1 0 310.184 3.366 10 0 DGAERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000721215420 658686022 /nfs/dbraw/zinc/68/60/22/658686022.db2.gz PMNPBRRKOMDYGL-LJISPDSOSA-N 1 0 314.470 3.225 10 0 DGAERO c1cn(-c2csc(C[NH+]3CCC(c4cn[nH]c4)CC3)c2)cn1 ZINC000346185743 658747841 /nfs/dbraw/zinc/74/78/41/658747841.db2.gz VRZQXJZJCULOHS-UHFFFAOYSA-N 1 0 313.430 3.037 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CC12CCC2)COc1c(Cl)cccc1Cl ZINC000721242041 658894682 /nfs/dbraw/zinc/89/46/82/658894682.db2.gz DGEIJNSWPTWNOD-GWCFXTLKSA-N 1 0 316.228 3.265 10 0 DGAERO O=C(NCC1(C[NH+]2CCCCC2)CC1)c1cc2ccccc2[nH]1 ZINC000223564532 658990780 /nfs/dbraw/zinc/99/07/80/658990780.db2.gz HOHIANPYJKKSHW-UHFFFAOYSA-N 1 0 311.429 3.164 10 0 DGAERO C[NH+](C)[C@@H]1CCCN(c2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000225822104 659084063 /nfs/dbraw/zinc/08/40/63/659084063.db2.gz HOJZVYMWRJPWSS-SNVBAGLBSA-N 1 0 307.747 3.284 10 0 DGAERO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)CC1 ZINC000157939069 659128935 /nfs/dbraw/zinc/12/89/35/659128935.db2.gz GEKGNYSHTTVKNQ-HNNXBMFYSA-N 1 0 323.440 3.410 10 0 DGAERO O=S1CCC([NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000158015366 659131402 /nfs/dbraw/zinc/13/14/02/659131402.db2.gz YFYLBDOVJQTAGB-UHFFFAOYSA-N 1 0 305.468 3.416 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NCc1occc1Br ZINC000227369988 659154084 /nfs/dbraw/zinc/15/40/84/659154084.db2.gz FABGZSNOEMBRCJ-NSHDSACASA-N 1 0 303.244 3.108 10 0 DGAERO Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cc(C)c1O ZINC000227670875 659160240 /nfs/dbraw/zinc/16/02/40/659160240.db2.gz WDMRTQXEZKNAAB-CQSZACIVSA-N 1 0 322.449 3.402 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)o1 ZINC000227753226 659162570 /nfs/dbraw/zinc/16/25/70/659162570.db2.gz NMRFLSAFPCDVJL-SNAWJCMRSA-N 1 0 300.786 3.104 10 0 DGAERO Cc1sc(C[NH2+]CC2(CCO)CC2)cc1Br ZINC000227856733 659166961 /nfs/dbraw/zinc/16/69/61/659166961.db2.gz XGCCDWYFUIOVRD-UHFFFAOYSA-N 1 0 304.253 3.071 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)c1cccc(Br)c1 ZINC000230204552 659317520 /nfs/dbraw/zinc/31/75/20/659317520.db2.gz GOZNAUKIMGUCQS-MFKMUULPSA-N 1 0 314.223 3.251 10 0 DGAERO Cc1ccoc1C[NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000230660500 659345450 /nfs/dbraw/zinc/34/54/50/659345450.db2.gz QRSJWXPXWLEOQQ-AWEZNQCLSA-N 1 0 308.422 3.467 10 0 DGAERO Cn1c(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1-c1ccccc1 ZINC000173007159 659369089 /nfs/dbraw/zinc/36/90/89/659369089.db2.gz VGYFJBMHWBOKJH-UHFFFAOYSA-N 1 0 323.440 3.049 10 0 DGAERO CCC[C@H]1CC(=O)N(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)C1 ZINC000173365615 659383115 /nfs/dbraw/zinc/38/31/15/659383115.db2.gz IAFWQMZRONABKU-RDJZCZTQSA-N 1 0 308.466 3.016 10 0 DGAERO Cc1cc(Br)ccc1-c1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000231695150 659398951 /nfs/dbraw/zinc/39/89/51/659398951.db2.gz YAOUSOPSESTBFX-ONGXEEELSA-N 1 0 322.206 3.402 10 0 DGAERO O[C@@H](C[NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC000313591084 659588777 /nfs/dbraw/zinc/58/87/77/659588777.db2.gz CTMPRFHWGZYWLH-RTWAWAEBSA-N 1 0 324.468 3.364 10 0 DGAERO C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CCN1Cc1ccccc1 ZINC000352519970 659900752 /nfs/dbraw/zinc/90/07/52/659900752.db2.gz TZSVUJLYLZQODA-ZTFGCOKTSA-N 1 0 310.445 3.040 10 0 DGAERO CCCOc1ccc([C@H](C)[NH2+]CC2OCCO2)cc1OCCC ZINC000180236116 659956385 /nfs/dbraw/zinc/95/63/85/659956385.db2.gz NRZFOMUGGNJMFC-AWEZNQCLSA-N 1 0 323.433 3.288 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(C)c1O ZINC000180697877 659968147 /nfs/dbraw/zinc/96/81/47/659968147.db2.gz WAMFDRFDHIBGMD-CVEARBPZSA-N 1 0 308.853 3.413 10 0 DGAERO c1[nH]nc2c1[C@H](NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)CCC2 ZINC000353517288 659995116 /nfs/dbraw/zinc/99/51/16/659995116.db2.gz JUXDHLPXACLZOM-FUHWJXTLSA-N 1 0 316.493 3.421 10 0 DGAERO C[C@@H](NC(=O)CSC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181515684 660004568 /nfs/dbraw/zinc/00/45/68/660004568.db2.gz FIMWDAPLUPRCEM-KGLIPLIRSA-N 1 0 312.523 3.287 10 0 DGAERO Cc1cc([C@](C)(O)C[NH2+]Cc2cccc3cnccc32)c(C)o1 ZINC000181532887 660005244 /nfs/dbraw/zinc/00/52/44/660005244.db2.gz KOZLWXKMTWVUEB-LJQANCHMSA-N 1 0 310.397 3.442 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000070573909 660066126 /nfs/dbraw/zinc/06/61/26/660066126.db2.gz HNGJKCFKOGVKRH-YPMHNXCESA-N 1 0 315.244 3.170 10 0 DGAERO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)[C@@H]3CCCO3)c2cc1C ZINC000183202271 660104541 /nfs/dbraw/zinc/10/45/41/660104541.db2.gz XBTYVTJBMDTGKZ-BBRMVZONSA-N 1 0 301.386 3.067 10 0 DGAERO CCOC(=O)/C=C/C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000131033697 660140511 /nfs/dbraw/zinc/14/05/11/660140511.db2.gz JEQRRPSWNGZSGO-ZWNMCFTASA-N 1 0 312.207 3.219 10 0 DGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C/c1ncccc1C ZINC000184018087 660152586 /nfs/dbraw/zinc/15/25/86/660152586.db2.gz YAHJNCHZTRDHOD-ZHACJKMWSA-N 1 0 317.477 3.230 10 0 DGAERO COC[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000187433136 661583613 /nfs/dbraw/zinc/58/36/13/661583613.db2.gz NTDLDEQEYVGTMZ-RDJZCZTQSA-N 1 0 303.402 3.098 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)/C=C/c1cccs1 ZINC000155306253 661844921 /nfs/dbraw/zinc/84/49/21/661844921.db2.gz FMYGBDSGUOOQAY-OFAQMXQXSA-N 1 0 314.454 3.050 10 0 DGAERO C[C@@H](NC(=O)CCCCC[NH3+])c1ccc(-c2cccnc2)cc1 ZINC000155808806 661853151 /nfs/dbraw/zinc/85/31/51/661853151.db2.gz DGTWVOLIFNNKCK-OAHLLOKOSA-N 1 0 311.429 3.445 10 0 DGAERO CCC[C@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1ccccn1 ZINC000158752799 661877566 /nfs/dbraw/zinc/87/75/66/661877566.db2.gz OGHNOUICAPZWPT-DOTOQJQBSA-N 1 0 300.402 3.255 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000187754796 661902834 /nfs/dbraw/zinc/90/28/34/661902834.db2.gz DDSKLLZRESRDKO-SOUVJXGZSA-N 1 0 314.470 3.179 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)CC[C@@H]1C ZINC000189287450 661972116 /nfs/dbraw/zinc/97/21/16/661972116.db2.gz GUEFMKHPZBVTLK-KPZWWZAWSA-N 1 0 315.413 3.267 10 0 DGAERO COc1ccc2c(c1)C(=O)N(CN(C)CCCc1ccccc1)C2 ZINC000189708439 661988572 /nfs/dbraw/zinc/98/85/72/661988572.db2.gz SPMIQPSWKZBFHU-UHFFFAOYSA-N 1 0 324.424 3.173 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)O1 ZINC000190254442 662024761 /nfs/dbraw/zinc/02/47/61/662024761.db2.gz GXMUNPVHAFAZBG-HNNXBMFYSA-N 1 0 305.418 3.379 10 0 DGAERO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000191671269 662077050 /nfs/dbraw/zinc/07/70/50/662077050.db2.gz BUIISYUNJXVTPF-QGZVFWFLSA-N 1 0 319.832 3.356 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2)C1 ZINC000195184261 662179850 /nfs/dbraw/zinc/17/98/50/662179850.db2.gz GOHOHJYVHCRXPO-GOSISDBHSA-N 1 0 304.434 3.423 10 0 DGAERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000195252460 662181808 /nfs/dbraw/zinc/18/18/08/662181808.db2.gz UHVNOYCKAWVBBB-CQSZACIVSA-N 1 0 311.571 3.083 10 0 DGAERO C[C@H]([NH2+]CCCn1cncn1)c1ccc(C(F)(F)F)s1 ZINC000717940359 662210705 /nfs/dbraw/zinc/21/07/05/662210705.db2.gz VSOKCBQUUHDYHW-VIFPVBQESA-N 1 0 304.341 3.099 10 0 DGAERO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(C(F)(F)F)s1 ZINC000717947265 662211947 /nfs/dbraw/zinc/21/19/47/662211947.db2.gz VTAYOPVSZCNJQQ-VIFPVBQESA-N 1 0 311.369 3.205 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(C(F)(F)F)s1 ZINC000717989488 662213029 /nfs/dbraw/zinc/21/30/29/662213029.db2.gz LZDKDHUIGBYEKK-BDAKNGLRSA-N 1 0 306.353 3.038 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(C(F)(F)F)s1 ZINC000717985004 662213042 /nfs/dbraw/zinc/21/30/42/662213042.db2.gz VILKMGHFFALDRO-KWQFWETISA-N 1 0 311.394 3.286 10 0 DGAERO Cc1coc(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000718028945 662214137 /nfs/dbraw/zinc/21/41/37/662214137.db2.gz DGCATAQBWYAICJ-CQSZACIVSA-N 1 0 308.422 3.325 10 0 DGAERO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(C(F)(F)F)s1 ZINC000718010090 662214392 /nfs/dbraw/zinc/21/43/92/662214392.db2.gz DCAHLLNBCYVOAW-VIFPVBQESA-N 1 0 303.353 3.394 10 0 DGAERO Cc1coc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000718053801 662216178 /nfs/dbraw/zinc/21/61/78/662216178.db2.gz QRBGFZLNSFSCOD-UKRRQHHQSA-N 1 0 308.422 3.323 10 0 DGAERO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)ccc1Cl ZINC000718426875 662254987 /nfs/dbraw/zinc/25/49/87/662254987.db2.gz YQGCUWXGCFICLK-SILCLGDVSA-N 1 0 301.217 3.298 10 0 DGAERO Clc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)s1 ZINC000718420971 662255099 /nfs/dbraw/zinc/25/50/99/662255099.db2.gz XBVYYTKEYHANDL-VXGBXAGGSA-N 1 0 302.896 3.071 10 0 DGAERO C[C@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)[C@]12C[C@H]1CCCC2 ZINC000718667916 662260024 /nfs/dbraw/zinc/26/00/24/662260024.db2.gz IXDZBAUBPCINOJ-LZWOXQAQSA-N 1 0 301.496 3.148 10 0 DGAERO CO[C@H]1CCC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)CC1 ZINC000718766755 662261363 /nfs/dbraw/zinc/26/13/63/662261363.db2.gz VMPQTVDUDJLHMI-HKUYNNGSSA-N 1 0 313.445 3.369 10 0 DGAERO CO[C@H]1CCC[C@@H]([NH2+]Cc2ncc(Br)s2)CC1 ZINC000718827974 662262467 /nfs/dbraw/zinc/26/24/67/662262467.db2.gz UPPUQNVEPLLZAM-ZJUUUORDSA-N 1 0 319.268 3.343 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000718845294 662263036 /nfs/dbraw/zinc/26/30/36/662263036.db2.gz VRUIJLNHTNEQRB-BHIYHBOVSA-N 1 0 304.478 3.444 10 0 DGAERO C[C@@H](CSC(C)(C)C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000090666124 662270946 /nfs/dbraw/zinc/27/09/46/662270946.db2.gz XEXXCXYAYFVDNN-VIFPVBQESA-N 1 0 309.401 3.449 10 0 DGAERO CO[C@@H]1C[C@H]([NH2+]Cc2nc(C)c(Br)s2)C1(C)C ZINC000719325431 662273988 /nfs/dbraw/zinc/27/39/88/662273988.db2.gz BMYDKFFWNRSEPV-DTWKUNHWSA-N 1 0 319.268 3.117 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](Cn1cc(-c3ccccc3)cn1)CC2 ZINC000246871940 662288417 /nfs/dbraw/zinc/28/84/17/662288417.db2.gz DNBJNYZUUUKHGQ-OALUTQOASA-N 1 0 311.429 3.135 10 0 DGAERO CC[C@@H](C)NC(=[NH2+])NCc1ccc(-c2ccccc2C#N)cc1 ZINC000090988610 662288560 /nfs/dbraw/zinc/28/85/60/662288560.db2.gz IOYACFYPVZKPPV-CQSZACIVSA-N 1 0 306.413 3.428 10 0 DGAERO Cc1ccc(C[NH2+]C2CCC(O)CC2)c(C)c1Br ZINC000719564709 662292451 /nfs/dbraw/zinc/29/24/51/662292451.db2.gz FVDQQMTWVZNVHH-UHFFFAOYSA-N 1 0 312.251 3.459 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246985174 662295093 /nfs/dbraw/zinc/29/50/93/662295093.db2.gz GKYBGDOJJXLLHL-IQRUHWCRSA-N 1 0 304.409 3.074 10 0 DGAERO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccsc2Br)C1 ZINC000719709953 662297028 /nfs/dbraw/zinc/29/70/28/662297028.db2.gz HSDSEGKWLNDDBE-NSHDSACASA-N 1 0 318.280 3.494 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ncc(C)s2)C12CCOCC2 ZINC000249014824 662363011 /nfs/dbraw/zinc/36/30/11/662363011.db2.gz PJRKIVORQIZZLP-MGPQQGTHSA-N 1 0 310.463 3.076 10 0 DGAERO C[C@@H]1c2sccc2CC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000712313141 685275269 /nfs/dbraw/zinc/27/52/69/685275269.db2.gz HBHFUXZPZIPMFI-PBHICJAKSA-N 1 0 317.454 3.245 10 0 DGAERO CCC[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)OC ZINC000378767200 685144404 /nfs/dbraw/zinc/14/44/04/685144404.db2.gz YQVLXWLRKPPXRI-RRFJBIMHSA-N 1 0 314.470 3.037 10 0 DGAERO COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000379476726 685148263 /nfs/dbraw/zinc/14/82/63/685148263.db2.gz VSVLVANRUZBXQK-CYBMUJFWSA-N 1 0 308.422 3.040 10 0 DGAERO COCc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cc1 ZINC000381721569 685158955 /nfs/dbraw/zinc/15/89/55/685158955.db2.gz ATEDDOLIKVKEGK-WAYWQWQTSA-N 1 0 320.433 3.004 10 0 DGAERO COc1ccc(C)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000381771373 685160071 /nfs/dbraw/zinc/16/00/71/685160071.db2.gz PXMKJRPDVLBYPD-KBPBESRZSA-N 1 0 322.449 3.395 10 0 DGAERO C[C@H]([N@H+](C)Cc1cccc(F)c1Br)C(C)(C)O ZINC000382836144 685165321 /nfs/dbraw/zinc/16/53/21/685165321.db2.gz CYUUWOWOIYTYSR-VIFPVBQESA-N 1 0 304.203 3.179 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CS1 ZINC000389808698 685196614 /nfs/dbraw/zinc/19/66/14/685196614.db2.gz DMHLSAUYBKZJGE-RFQIPJPRSA-N 1 0 314.495 3.116 10 0 DGAERO N#Cc1ccc([C@H](O)C[NH2+]CCCCOCc2ccccc2)cc1 ZINC000390656310 685203181 /nfs/dbraw/zinc/20/31/81/685203181.db2.gz HLKJNAJFXJJZRB-HXUWFJFHSA-N 1 0 324.424 3.178 10 0 DGAERO c1cc2c(cc1CC[NH2+][C@H]1CCOC3(CCCC3)C1)OCCO2 ZINC000391263278 685210274 /nfs/dbraw/zinc/21/02/74/685210274.db2.gz IAFLLPSVNQRLPF-INIZCTEOSA-N 1 0 317.429 3.082 10 0 DGAERO C[C@H]1CC[C@@H]([NH2+]CCOC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC000399218529 685240311 /nfs/dbraw/zinc/24/03/11/685240311.db2.gz JWORDGTZBVEZCJ-UONOGXRCSA-N 1 0 314.470 3.179 10 0 DGAERO CC[C@@H](C)[NH+]1CCN(Cc2ccsc2Br)CC1 ZINC000389004678 1176031787 /nfs/dbraw/zinc/03/17/87/1176031787.db2.gz UXMAIIPAESBVTJ-LLVKDONJSA-N 1 0 317.296 3.427 10 0 DGAERO CCCN(CC[NH2+]Cc1cncn1CCC)C(=O)OC(C)(C)C ZINC000227659883 1176499245 /nfs/dbraw/zinc/49/92/45/1176499245.db2.gz BRCVKOUVOKAZIA-UHFFFAOYSA-N 1 0 324.469 3.030 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CSC2(C)C)C1 ZINC000393878851 1176709629 /nfs/dbraw/zinc/70/96/29/1176709629.db2.gz JKUKGBMOFPTREM-QWHCGFSZSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H]([NH2+]CCC(F)F)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000395115424 1176784997 /nfs/dbraw/zinc/78/49/97/1176784997.db2.gz ITPZTHFYGMADQY-NWDGAFQWSA-N 1 0 306.397 3.409 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000395246740 1176786862 /nfs/dbraw/zinc/78/68/62/1176786862.db2.gz WUXYCDMFRISNGS-UHFFFAOYSA-N 1 0 307.191 3.148 10 0 DGAERO CCc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(Cl)n1 ZINC000228095455 1176804320 /nfs/dbraw/zinc/80/43/20/1176804320.db2.gz XOMNHXQYQIGEBL-AWEZNQCLSA-N 1 0 311.857 3.004 10 0 DGAERO CC1(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)CCCC1 ZINC000397226818 1177001279 /nfs/dbraw/zinc/00/12/79/1177001279.db2.gz CGOGLKNDFYAKKJ-UHFFFAOYSA-N 1 0 302.418 3.177 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1ccc(Br)cc1C ZINC000398624566 1177027902 /nfs/dbraw/zinc/02/79/02/1177027902.db2.gz XWXFGYZDHNEIEP-CQSZACIVSA-N 1 0 300.240 3.398 10 0 DGAERO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000381148174 1177336812 /nfs/dbraw/zinc/33/68/12/1177336812.db2.gz YBQVSQMXTRQIDG-DYEKYZERSA-N 1 0 314.271 3.450 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000085365461 1177650469 /nfs/dbraw/zinc/65/04/69/1177650469.db2.gz SIFATNIJJDCFEJ-KBPBESRZSA-N 1 0 301.415 3.266 10 0 DGAERO Cc1cccc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000060828574 1195158302 /nfs/dbraw/zinc/15/83/02/1195158302.db2.gz VMHAEBJJQRSKCP-UHFFFAOYSA-N 1 0 308.303 3.141 10 0 DGAERO COc1ccc(CNCCC[N@H+](C)Cc2ccccc2)cc1O ZINC000061556850 1195199204 /nfs/dbraw/zinc/19/92/04/1195199204.db2.gz BUKCDXRCMQTWMO-UHFFFAOYSA-N 1 0 314.429 3.013 10 0 DGAERO COc1ccc(C[NH2+]CCCOCc2ccccc2)cc1OC ZINC000061743956 1195208040 /nfs/dbraw/zinc/20/80/40/1195208040.db2.gz IWGZJCBTYRPLQB-UHFFFAOYSA-N 1 0 315.413 3.400 10 0 DGAERO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000067504779 1195639656 /nfs/dbraw/zinc/63/96/56/1195639656.db2.gz XKOYCKGQHBIZQK-LBPRGKRZSA-N 1 0 316.405 3.324 10 0 DGAERO c1cnc2ccc(C[NH2+]CCOc3ccc4c(c3)OCO4)cc2c1 ZINC000069833427 1195823700 /nfs/dbraw/zinc/82/37/00/1195823700.db2.gz CKPOELNWBYMPBG-UHFFFAOYSA-N 1 0 322.364 3.132 10 0 DGAERO c1csc(-c2ncc(C[NH2+]CCOC[C@H]3CCCO3)s2)c1 ZINC000083468947 1197431087 /nfs/dbraw/zinc/43/10/87/1197431087.db2.gz QFAFGSAAQFYUEZ-GFCCVEGCSA-N 1 0 324.471 3.157 10 0 DGAERO CC[C@@](C)(C[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)OC ZINC000322953454 1197689495 /nfs/dbraw/zinc/68/94/95/1197689495.db2.gz SFBDULNLOKTRQE-YOEHRIQHSA-N 1 0 316.486 3.475 10 0 DGAERO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)CCO1 ZINC000388686615 1197698914 /nfs/dbraw/zinc/69/89/14/1197698914.db2.gz JCXOINQTFIYXPE-ZYHUDNBSSA-N 1 0 316.214 3.493 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379649095 1197704127 /nfs/dbraw/zinc/70/41/27/1197704127.db2.gz NVIXIEMJDJIWJZ-NJAFHUGGSA-N 1 0 304.503 3.382 10 0 DGAERO COCC1(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)CCC1 ZINC000382002301 1197704817 /nfs/dbraw/zinc/70/48/17/1197704817.db2.gz RKHNTISLKOVYHJ-AEFFLSMTSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)[C@H](C)O ZINC000387049545 1197707914 /nfs/dbraw/zinc/70/79/14/1197707914.db2.gz SXBPPHVUGWLGPJ-BFQNTYOBSA-N 1 0 320.433 3.380 10 0 DGAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CSC1(C)C ZINC000393875749 1197720469 /nfs/dbraw/zinc/72/04/69/1197720469.db2.gz FJONVVRCSKIJEN-QWHCGFSZSA-N 1 0 316.511 3.267 10 0 DGAERO CC[N@H+](CCNCc1cccc(Br)c1F)C1CC1 ZINC000394898057 1197722103 /nfs/dbraw/zinc/72/21/03/1197722103.db2.gz AEXSRTSOYICDMO-UHFFFAOYSA-N 1 0 315.230 3.162 10 0 DGAERO COc1ccc([C@@H]([NH2+]Cc2cccc(N(C)C)n2)C2CC2)cc1 ZINC000091405948 1198396650 /nfs/dbraw/zinc/39/66/50/1198396650.db2.gz POHMCUZJHHMBEQ-IBGZPJMESA-N 1 0 311.429 3.397 10 0 DGAERO c1ccc(NCCCC[NH2+]Cc2nc3c(s2)CCC3)nc1 ZINC000093066987 1198649865 /nfs/dbraw/zinc/64/98/65/1198649865.db2.gz NUKKGPFPIWZDGL-UHFFFAOYSA-N 1 0 302.447 3.009 10 0 DGAERO CCSCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404743654 1199580736 /nfs/dbraw/zinc/58/07/36/1199580736.db2.gz QSEAXSRYPHUTMS-VXGBXAGGSA-N 1 0 302.484 3.021 10 0 DGAERO CC(C)OCCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404762929 1199583162 /nfs/dbraw/zinc/58/31/62/1199583162.db2.gz JXQNHNIEYGVVEN-KBPBESRZSA-N 1 0 314.470 3.083 10 0 DGAERO COc1ccccc1C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000304681912 1199669183 /nfs/dbraw/zinc/66/91/83/1199669183.db2.gz YPXOSDDLISEWCI-UHFFFAOYSA-N 1 0 322.449 3.478 10 0 DGAERO c1ncc(C[NH2+]CCc2ccc(OCc3ccccc3)cc2)[nH]1 ZINC000309748093 1199710133 /nfs/dbraw/zinc/71/01/33/1199710133.db2.gz VCOWOYZJWLCPLU-UHFFFAOYSA-N 1 0 307.397 3.321 10 0 DGAERO CCOC1CC([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000309858273 1199711237 /nfs/dbraw/zinc/71/12/37/1199711237.db2.gz MDHFUWCUOOMMKG-NFOMZHRRSA-N 1 0 314.470 3.227 10 0 DGAERO FC(F)(F)CCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309908402 1199711807 /nfs/dbraw/zinc/71/18/07/1199711807.db2.gz RCPJJEJYXZNNOI-HNNXBMFYSA-N 1 0 300.368 3.441 10 0 DGAERO c1[nH]nc2cc(C[NH2+][C@H]3CCCN(c4ccccc4)C3)ccc12 ZINC000115621634 1199756985 /nfs/dbraw/zinc/75/69/85/1199756985.db2.gz SXXRGAHHAUGKQB-KRWDZBQOSA-N 1 0 306.413 3.322 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]CCOC3CCCCCC3)cc2)n1 ZINC000118454201 1199931784 /nfs/dbraw/zinc/93/17/84/1199931784.db2.gz GSBAQAWLCKTBHC-UHFFFAOYSA-N 1 0 314.433 3.096 10 0 DGAERO CCOCCCC[NH2+]Cc1cc(OC)ccc1Br ZINC000126883283 1200641630 /nfs/dbraw/zinc/64/16/30/1200641630.db2.gz GGDAXNGTSZYRRQ-UHFFFAOYSA-N 1 0 316.239 3.364 10 0 DGAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000228474128 1201056207 /nfs/dbraw/zinc/05/62/07/1201056207.db2.gz ZXJKJRODDFZERM-INIZCTEOSA-N 1 0 310.869 3.341 10 0 DGAERO c1cncc(OCC[NH2+]Cc2cccc(-c3cccnc3)c2)c1 ZINC000132715290 1201179330 /nfs/dbraw/zinc/17/93/30/1201179330.db2.gz XQDPTCAMDUYUQT-UHFFFAOYSA-N 1 0 305.381 3.312 10 0 DGAERO O=C(CC[NH2+]Cc1ccc(Cl)cc1)NCc1ccccc1 ZINC000133767890 1201196241 /nfs/dbraw/zinc/19/62/41/1201196241.db2.gz ZAPJSLFDPYKCRF-UHFFFAOYSA-N 1 0 302.805 3.136 10 0 DGAERO c1c2ccccc2[nH]c1CC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000135921112 1201208189 /nfs/dbraw/zinc/20/81/89/1201208189.db2.gz OHVOOLYXCCKPEZ-UHFFFAOYSA-N 1 0 320.440 3.495 10 0 DGAERO c1nc(C2CCCC2)sc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000136198816 1201211689 /nfs/dbraw/zinc/21/16/89/1201211689.db2.gz DUYMUMPGIVQESZ-CQSZACIVSA-N 1 0 324.490 3.334 10 0 DGAERO Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000222028073 1202568114 /nfs/dbraw/zinc/56/81/14/1202568114.db2.gz RQBHGFCWCYCRRS-UHFFFAOYSA-N 1 0 310.413 3.481 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(Br)c1 ZINC000151089982 1202591268 /nfs/dbraw/zinc/59/12/68/1202591268.db2.gz JEWVJJAHSCADBI-CABZTGNLSA-N 1 0 315.186 3.044 10 0 DGAERO COCc1ccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000230654219 1202598550 /nfs/dbraw/zinc/59/85/50/1202598550.db2.gz ICADRZSQYIDHAW-UHFFFAOYSA-N 1 0 322.449 3.180 10 0 DGAERO [NH3+][C@@H]1CCCC[C@@H]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000236304048 1202605738 /nfs/dbraw/zinc/60/57/38/1202605738.db2.gz DCWXANNGKHJKPK-TZMCWYRMSA-N 1 0 305.809 3.374 10 0 DGAERO c1[nH]nc2cc(C[NH2+]CC3(c4ccccc4)CCOCC3)ccc12 ZINC000236619341 1202614517 /nfs/dbraw/zinc/61/45/17/1202614517.db2.gz MQNDAFNHEOBRSP-UHFFFAOYSA-N 1 0 321.424 3.401 10 0 DGAERO C=CCN1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000236611807 1202614653 /nfs/dbraw/zinc/61/46/53/1202614653.db2.gz CEEDXFJAASBBLX-UHFFFAOYSA-N 1 0 315.280 3.251 10 0 DGAERO c1cc(COc2ccc(C[NH2+]CCOCC3CC3)cc2)ccn1 ZINC000236733280 1202622509 /nfs/dbraw/zinc/62/25/09/1202622509.db2.gz GNFYIPSJOIRCRD-UHFFFAOYSA-N 1 0 312.413 3.177 10 0 DGAERO COc1ccccc1OCC[N@H+](C)Cc1ccc(C)nc1C ZINC000186710631 1202950283 /nfs/dbraw/zinc/95/02/83/1202950283.db2.gz LKRWAMGPFCFPFV-UHFFFAOYSA-N 1 0 300.402 3.218 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1c(F)cc(Br)cc1F ZINC000188875913 1203233469 /nfs/dbraw/zinc/23/34/69/1203233469.db2.gz LAFOOTOKYUBQLR-MRVPVSSYSA-N 1 0 308.166 3.099 10 0 DGAERO CC[NH+](CC)CCNC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000243094996 1203581730 /nfs/dbraw/zinc/58/17/30/1203581730.db2.gz IYRNPWFLQOKQQP-ISOUWHGUSA-N 1 0 321.509 3.232 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC000246218233 1203720419 /nfs/dbraw/zinc/72/04/19/1203720419.db2.gz OQRBVFHUKCYLKL-GDBMZVCRSA-N 1 0 323.506 3.195 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000248744732 1203810097 /nfs/dbraw/zinc/81/00/97/1203810097.db2.gz FDJZUHRMRBHMBH-NOXHYTERSA-N 1 0 322.836 3.067 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)N(C)[C@@H](C)Cc2ccsc2)CC1 ZINC000175879632 1203922143 /nfs/dbraw/zinc/92/21/43/1203922143.db2.gz SLZMQFPITPZQKE-AWEZNQCLSA-N 1 0 323.506 3.193 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000176869814 1203943168 /nfs/dbraw/zinc/94/31/68/1203943168.db2.gz FYXKQNNXQYAZLT-GOCZWWTBSA-N 1 0 316.445 3.040 10 0 DGAERO CCCc1csc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)n1 ZINC000261644273 1204066402 /nfs/dbraw/zinc/06/64/02/1204066402.db2.gz ALJXVMYIZLZASJ-MRXNPFEDSA-N 1 0 319.449 3.381 10 0 DGAERO CCN1CC[C@@H]1C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000712551669 1085751543 /nfs/dbraw/zinc/75/15/43/1085751543.db2.gz ZJONYWDYOTZQJA-IUODEOHRSA-N 1 0 311.267 3.064 10 0 DGAERO C[C@H](C[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)C(C)(C)C ZINC000705914205 1081806244 /nfs/dbraw/zinc/80/62/44/1081806244.db2.gz WVMKCPNFTYOANH-CQSZACIVSA-N 1 0 316.486 3.142 10 0 DGAERO CCCn1cncc1C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398036562 1082059975 /nfs/dbraw/zinc/05/99/75/1082059975.db2.gz NKGBZCJUSAGARA-AEFFLSMTSA-N 1 0 312.461 3.046 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C\c1ccccc1Cl ZINC000588545570 1082596279 /nfs/dbraw/zinc/59/62/79/1082596279.db2.gz UDTPAWCCJRHGPM-KTKRTIGZSA-N 1 0 306.837 3.296 10 0 DGAERO C/C=C(/CC)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000588567349 1082646112 /nfs/dbraw/zinc/64/61/12/1082646112.db2.gz LNKKNBATHUKJEH-SUSILRQXSA-N 1 0 322.399 3.402 10 0 DGAERO Cc1scc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C ZINC000399934187 1082654511 /nfs/dbraw/zinc/65/45/11/1082654511.db2.gz QNBDLHALWQKOPK-AWEZNQCLSA-N 1 0 310.463 3.464 10 0 DGAERO Ic1ccccc1C[NH2+][C@@H]1C=CCCC1 ZINC000308857420 1082830173 /nfs/dbraw/zinc/83/01/73/1082830173.db2.gz STXSWMGAAKOSCP-GFCCVEGCSA-N 1 0 313.182 3.490 10 0 DGAERO O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000709634468 1083923075 /nfs/dbraw/zinc/92/30/75/1083923075.db2.gz HPIIVXDAAPPOTM-GOSISDBHSA-N 1 0 315.461 3.237 10 0 DGAERO O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000709634469 1083923563 /nfs/dbraw/zinc/92/35/63/1083923563.db2.gz HPIIVXDAAPPOTM-SFHVURJKSA-N 1 0 315.461 3.237 10 0 DGAERO C[C@@H](C[NH2+][C@@H](CCO)C1CCCC1)COCc1ccccc1 ZINC000725076209 1084955947 /nfs/dbraw/zinc/95/59/47/1084955947.db2.gz BXBWUJIAMFKTQZ-LPHOPBHVSA-N 1 0 305.462 3.370 10 0 DGAERO CCCOc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)ccc1OC ZINC000093479839 1087125226 /nfs/dbraw/zinc/12/52/26/1087125226.db2.gz MKPRLGBIDAVQRH-MCPYQZEQSA-N 1 0 319.445 3.077 10 0 DGAERO Cc1cccc(C[NH2+]CCOC(F)(F)C(F)(F)F)c1F ZINC000720335995 1090967619 /nfs/dbraw/zinc/96/76/19/1090967619.db2.gz VATCJYNFUAWZJS-UHFFFAOYSA-N 1 0 301.230 3.395 10 0 DGAERO C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccccn1 ZINC000709585364 1091225373 /nfs/dbraw/zinc/22/53/73/1091225373.db2.gz ROQBXUIFFBWRFT-CYBMUJFWSA-N 1 0 307.438 3.078 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CCC1(C)OCCO1 ZINC000716005619 1091308044 /nfs/dbraw/zinc/30/80/44/1091308044.db2.gz IRTXIQUUOYXPBW-UHFFFAOYSA-N 1 0 314.223 3.000 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000085365932 1091351135 /nfs/dbraw/zinc/35/11/35/1091351135.db2.gz FMNJUJKGXQAKJV-ZIAGYGMSSA-N 1 0 301.415 3.266 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000401726197 1092146728 /nfs/dbraw/zinc/14/67/28/1092146728.db2.gz LNORCTVKUADLQT-WDEREUQCSA-N 1 0 310.360 3.174 10 0 DGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000091479970 1093462464 /nfs/dbraw/zinc/46/24/64/1093462464.db2.gz QZMTYPAOEAFIOM-NWDGAFQWSA-N 1 0 300.324 3.470 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000175776284 1093586220 /nfs/dbraw/zinc/58/62/20/1093586220.db2.gz KWNYTWUMFPFXJU-FOCLMDBBSA-N 1 0 316.445 3.091 10 0 DGAERO C[C@@H]([NH2+]CCOC(C)(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400481016 1093899230 /nfs/dbraw/zinc/89/92/30/1093899230.db2.gz FONLHYLYASUNQZ-ZIAGYGMSSA-N 1 0 314.470 3.179 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCO2)C12CCCC2 ZINC000401369949 1093946438 /nfs/dbraw/zinc/94/64/38/1093946438.db2.gz BNXTTWBIWIHGAP-CABCVRRESA-N 1 0 324.465 3.077 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCCOC2)C12CCCC2 ZINC000401531252 1093953442 /nfs/dbraw/zinc/95/34/42/1093953442.db2.gz QAUHUGFUJKQHFC-LSDHHAIUSA-N 1 0 324.465 3.077 10 0 DGAERO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)n1 ZINC000401674839 1093963281 /nfs/dbraw/zinc/96/32/81/1093963281.db2.gz NQWNLYMWXLYOLT-XJKSGUPXSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401732787 1093968248 /nfs/dbraw/zinc/96/82/48/1093968248.db2.gz VXXPGVPIKAIQDT-HIFRSBDPSA-N 1 0 320.433 3.127 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(F)(F)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401788979 1093972615 /nfs/dbraw/zinc/97/26/15/1093972615.db2.gz VJNBGDNCUQPSDP-AGIUHOORSA-N 1 0 318.408 3.409 10 0 DGAERO Cc1cc(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000401856884 1093975583 /nfs/dbraw/zinc/97/55/83/1093975583.db2.gz VVWNMQMIVDKHDD-CJNGLKHVSA-N 1 0 319.449 3.125 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403167068 1094102118 /nfs/dbraw/zinc/10/21/18/1094102118.db2.gz BRKDJRWADYHAMA-KFWWJZLASA-N 1 0 308.466 3.412 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccns2)CN1C(=O)OC(C)(C)C ZINC000404322106 1094254331 /nfs/dbraw/zinc/25/43/31/1094254331.db2.gz JYZPTWVRFAVOEC-VXGBXAGGSA-N 1 0 311.451 3.021 10 0 DGAERO C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccns1 ZINC000404372896 1094254977 /nfs/dbraw/zinc/25/49/77/1094254977.db2.gz RJISWPDVGTUUBW-LBPRGKRZSA-N 1 0 313.467 3.316 10 0 DGAERO CSC1(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000404703124 1094266530 /nfs/dbraw/zinc/26/65/30/1094266530.db2.gz ZROZKHZXMPWRRU-UHFFFAOYSA-N 1 0 314.495 3.167 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C/C2CC2)C12CCC2 ZINC000405220899 1094309857 /nfs/dbraw/zinc/30/98/57/1094309857.db2.gz MODLOZXRWNLAQQ-UNCXAERMSA-N 1 0 306.450 3.378 10 0 DGAERO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000234755110 1096264728 /nfs/dbraw/zinc/26/47/28/1096264728.db2.gz MGDWDNGYLLFYAG-KFWWJZLASA-N 1 0 314.470 3.085 10 0 DGAERO CCC[NH2+][C@@H](CNC(=O)c1cscc1C(F)F)C(C)C ZINC000722125196 1098638729 /nfs/dbraw/zinc/63/87/29/1098638729.db2.gz XDPDVOLDQWJZRP-LBPRGKRZSA-N 1 0 304.406 3.440 10 0 DGAERO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc(Cl)n1 ZINC000157692645 1100397633 /nfs/dbraw/zinc/39/76/33/1100397633.db2.gz WJHQXXDJMCPINJ-HNNXBMFYSA-N 1 0 321.852 3.038 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(Br)cc1C ZINC000716843597 1101776178 /nfs/dbraw/zinc/77/61/78/1101776178.db2.gz KUEWBNPSUQIIJB-RISCZKNCSA-N 1 0 300.240 3.397 10 0 DGAERO [NH3+]C1CC(CC(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000718090880 1104506810 /nfs/dbraw/zinc/50/68/10/1104506810.db2.gz INJFEKILRKKQGS-OCTTZUBCSA-N 1 0 310.850 3.121 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379649096 1108037148 /nfs/dbraw/zinc/03/71/48/1108037148.db2.gz NVIXIEMJDJIWJZ-NXHRZFHOSA-N 1 0 304.503 3.382 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000700732805 1108860297 /nfs/dbraw/zinc/86/02/97/1108860297.db2.gz SLNKEQQUEVUSCA-SUJAAXHWSA-N 1 0 308.466 3.410 10 0 DGAERO [NH3+][C@@H]1CC[C@H](CNC(=O)/C=C\c2cc(Cl)cc(Cl)c2)C1 ZINC000700949447 1108880835 /nfs/dbraw/zinc/88/08/35/1108880835.db2.gz UCYXNKFZTOKQMI-LEDVHTLASA-N 1 0 313.228 3.250 10 0 DGAERO O=C(OCc1ccccc1)N1CCC([NH2+]CC2=CCCC2)CC1 ZINC000702385837 1109054397 /nfs/dbraw/zinc/05/43/97/1109054397.db2.gz FEBVHYSWSUKODO-UHFFFAOYSA-N 1 0 314.429 3.488 10 0 DGAERO Cc1nc2ccccc2nc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000187775183 282087110 /nfs/dbraw/zinc/08/71/10/282087110.db2.gz GSTMZVNSAPVMEB-HKUYNNGSSA-N 1 0 321.428 3.408 10 0 DGAERO Cc1nc2ccccc2nc1N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000301774977 282087180 /nfs/dbraw/zinc/08/71/80/282087180.db2.gz KXCRZCIYSJNEFA-CQSZACIVSA-N 1 0 310.445 3.391 10 0 DGAERO Cc1cc(NC2CCN(c3ncccn3)CC2)c2ccccc2[nH+]1 ZINC000076751483 185038882 /nfs/dbraw/zinc/03/88/82/185038882.db2.gz PVXOKWINIVXGQV-UHFFFAOYSA-N 1 0 319.412 3.414 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)Oc1ccc(SC)cc1 ZINC000077000488 185065169 /nfs/dbraw/zinc/06/51/69/185065169.db2.gz XCMQGKBBUBTWIM-KBPBESRZSA-N 1 0 324.490 3.022 10 0 DGAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000081899007 192335692 /nfs/dbraw/zinc/33/56/92/192335692.db2.gz QBQHGFGNTZIMGT-BDAKNGLRSA-N 1 0 310.246 3.077 10 0 DGAERO c1cc([C@H]2CCCN2CC[NH+]2CCCCC2)cc2c1OCO2 ZINC000078833392 185117820 /nfs/dbraw/zinc/11/78/20/185117820.db2.gz PFWCOFLAJCDDAZ-MRXNPFEDSA-N 1 0 302.418 3.038 10 0 DGAERO CS(=O)(=O)CCC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000103141037 432003519 /nfs/dbraw/zinc/00/35/19/432003519.db2.gz WTABGQMDHMUMAS-UHFFFAOYSA-N 1 0 309.475 3.256 10 0 DGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000062649208 432003535 /nfs/dbraw/zinc/00/35/35/432003535.db2.gz UMGHCCSZATZRAH-QGZVFWFLSA-N 1 0 324.428 3.258 10 0 DGAERO CC[C@@H]1CN(c2ccnc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302145259 529402637 /nfs/dbraw/zinc/40/26/37/529402637.db2.gz HHQCTTRPQMTDSK-GOSISDBHSA-N 1 0 322.456 3.455 10 0 DGAERO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000079184360 185161275 /nfs/dbraw/zinc/16/12/75/185161275.db2.gz LVZHFTZNLMIHAC-UHFFFAOYSA-N 1 0 302.374 3.057 10 0 DGAERO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000311139011 231118351 /nfs/dbraw/zinc/11/83/51/231118351.db2.gz YIDKCCDMHNUJAB-SMDDNHRTSA-N 1 0 316.239 3.151 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)s1 ZINC000313436943 231124141 /nfs/dbraw/zinc/12/41/41/231124141.db2.gz AEVAHGXQXBHQMP-CYBMUJFWSA-N 1 0 312.504 3.294 10 0 DGAERO C[NH2+]Cc1sc(-c2ccc(OC)c(OC)c2)nc1C1CC1 ZINC000082436765 185182596 /nfs/dbraw/zinc/18/25/96/185182596.db2.gz OSXUSJFJFDSYFU-UHFFFAOYSA-N 1 0 304.415 3.424 10 0 DGAERO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cnccn1 ZINC000310470067 231113664 /nfs/dbraw/zinc/11/36/64/231113664.db2.gz BCSQWHFNJRZDRT-JCHJZTRSSA-N 1 0 322.456 3.038 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)no1 ZINC000103150243 432004451 /nfs/dbraw/zinc/00/44/51/432004451.db2.gz OFZRPFORGLHXNY-ZDUSSCGKSA-N 1 0 305.809 3.486 10 0 DGAERO COc1cc([C@H]([NH3+])C2CCC2)c(OC)cc1Br ZINC000083256655 185221799 /nfs/dbraw/zinc/22/17/99/185221799.db2.gz FQZBIKWUPUCRBN-CYBMUJFWSA-N 1 0 300.196 3.266 10 0 DGAERO O[C@H]1CCCCC[C@@H]1[NH2+]Cc1sccc1Br ZINC000087575549 185228639 /nfs/dbraw/zinc/22/86/39/185228639.db2.gz XSFJIYNYCRMHHF-QWRGUYRKSA-N 1 0 304.253 3.294 10 0 DGAERO C[C@H](c1nc(CCC2CCOCC2)no1)[NH+]1CCCCCC1 ZINC000328883639 231375755 /nfs/dbraw/zinc/37/57/55/231375755.db2.gz NKTRJCCMZXUPEI-CQSZACIVSA-N 1 0 307.438 3.366 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000129464607 432005344 /nfs/dbraw/zinc/00/53/44/432005344.db2.gz IMWGHDMKLQDIRV-BXUZGUMPSA-N 1 0 305.315 3.485 10 0 DGAERO COc1cccc(C(=O)NCCC[N@H+](C)C2CCCCC2)c1F ZINC000090150403 185283656 /nfs/dbraw/zinc/28/36/56/185283656.db2.gz OPEYOWROQSWMQG-UHFFFAOYSA-N 1 0 322.424 3.219 10 0 DGAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000172234261 299088718 /nfs/dbraw/zinc/08/87/18/299088718.db2.gz CCSCQMFBJJCIGI-DOTOQJQBSA-N 1 0 307.482 3.225 10 0 DGAERO COc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1F ZINC000090200418 185286839 /nfs/dbraw/zinc/28/68/39/185286839.db2.gz DQTJULPVAQQGAQ-AWEZNQCLSA-N 1 0 322.424 3.076 10 0 DGAERO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(-c2cccnc2)cc1 ZINC000082000645 192352960 /nfs/dbraw/zinc/35/29/60/192352960.db2.gz UEIJOGIAWFOXGS-OAHLLOKOSA-N 1 0 323.440 3.268 10 0 DGAERO COc1cccc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000090666348 185308709 /nfs/dbraw/zinc/30/87/09/185308709.db2.gz PGVCQMNUUUKXAW-SNVBAGLBSA-N 1 0 313.323 3.298 10 0 DGAERO CC(C)[C@@H](CO)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000092393917 185315742 /nfs/dbraw/zinc/31/57/42/185315742.db2.gz INGCFMSEJIIDGJ-IUODEOHRSA-N 1 0 301.377 3.216 10 0 DGAERO Cc1cc(C)cc(C2=CC[N@H+](CCC(=O)NC(C)C)CC2)c1 ZINC000092426948 185317377 /nfs/dbraw/zinc/31/73/77/185317377.db2.gz HWDGMRMXOGALRT-UHFFFAOYSA-N 1 0 300.446 3.307 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000092509958 185323164 /nfs/dbraw/zinc/32/31/64/185323164.db2.gz JXBMNPKPJPFGBT-MRXNPFEDSA-N 1 0 300.402 3.266 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000092708251 185335211 /nfs/dbraw/zinc/33/52/11/185335211.db2.gz RBDNAGHUBWKECZ-HNNXBMFYSA-N 1 0 300.402 3.314 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1O ZINC000092788670 185341149 /nfs/dbraw/zinc/34/11/49/185341149.db2.gz ICTNHTCAANGBLH-ZDUSSCGKSA-N 1 0 304.415 3.237 10 0 DGAERO c1csc([C@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)n1 ZINC000092788612 185341228 /nfs/dbraw/zinc/34/12/28/185341228.db2.gz MXVMMDIAWHDDGV-ZDUSSCGKSA-N 1 0 302.399 3.251 10 0 DGAERO COc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000092755007 185338101 /nfs/dbraw/zinc/33/81/01/185338101.db2.gz JUQZCDPLSRXOLH-OAHLLOKOSA-N 1 0 318.461 3.068 10 0 DGAERO Cc1cc2cc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)ccc2[nH]1 ZINC000092759236 185338517 /nfs/dbraw/zinc/33/85/17/185338517.db2.gz CEONEVVFKAANFJ-XJKSGUPXSA-N 1 0 312.417 3.177 10 0 DGAERO COc1ccccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000092813327 185343224 /nfs/dbraw/zinc/34/32/24/185343224.db2.gz GNRFJCOSCYQBAW-INIZCTEOSA-N 1 0 311.429 3.333 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]Cc2ccc(OC)c(O)c2)cc1 ZINC000181377460 199287779 /nfs/dbraw/zinc/28/77/79/199287779.db2.gz SZQMDWMFFRKTDG-CYBMUJFWSA-N 1 0 301.386 3.303 10 0 DGAERO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccnc1 ZINC000181394296 199290437 /nfs/dbraw/zinc/29/04/37/199290437.db2.gz YOUHYCJZJRMWCM-NHYWBVRUSA-N 1 0 321.218 3.228 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCc2ccccn2)c(OC)c1 ZINC000181488188 199305354 /nfs/dbraw/zinc/30/53/54/199305354.db2.gz RZUHLORMKKELBM-CQSZACIVSA-N 1 0 300.402 3.382 10 0 DGAERO Cn1cc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c(C(F)(F)F)n1 ZINC000181584621 199322140 /nfs/dbraw/zinc/32/21/40/199322140.db2.gz NXBUWWSGRBDFOZ-CYBMUJFWSA-N 1 0 313.298 3.355 10 0 DGAERO CC(C)[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000181607876 199325835 /nfs/dbraw/zinc/32/58/35/199325835.db2.gz FLMSFQSEIPLNPT-WMLDXEAASA-N 1 0 313.388 3.447 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccncc1)c1cccc(C(F)(F)F)c1 ZINC000097032983 185399702 /nfs/dbraw/zinc/39/97/02/185399702.db2.gz VMAPSMXJBJTMAA-NSHDSACASA-N 1 0 323.318 3.390 10 0 DGAERO CC(C)[N@H+](C)CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129725270 432008986 /nfs/dbraw/zinc/00/89/86/432008986.db2.gz AEFAAJNPDNWDIJ-MRXNPFEDSA-N 1 0 316.445 3.279 10 0 DGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000129841894 432009451 /nfs/dbraw/zinc/00/94/51/432009451.db2.gz SQKKEMNNTVWPBJ-MUWHJKNJSA-N 1 0 320.028 3.105 10 0 DGAERO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)CC1(O)CCCC1 ZINC000152334684 530018529 /nfs/dbraw/zinc/01/85/29/530018529.db2.gz RMCIFYXBCAHYAF-UHFFFAOYSA-N 1 0 304.365 3.218 10 0 DGAERO Cc1ccc(C)c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107529104 185483117 /nfs/dbraw/zinc/48/31/17/185483117.db2.gz HKFSLSBPYBFYJM-QGZVFWFLSA-N 1 0 300.446 3.394 10 0 DGAERO O=C(Nc1cccc(F)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107723778 185490340 /nfs/dbraw/zinc/49/03/40/185490340.db2.gz WNAZINJJKYYUBG-INIZCTEOSA-N 1 0 305.397 3.308 10 0 DGAERO c1cc(-c2nc(CN3CCC([NH+]4CCCC4)CC3)cs2)co1 ZINC000108492002 185517035 /nfs/dbraw/zinc/51/70/35/185517035.db2.gz NYLYBBCGLZVPMR-UHFFFAOYSA-N 1 0 317.458 3.463 10 0 DGAERO [NH3+]C[C@H]1Cc2c(c(-c3ccc(C(F)(F)F)cn3)ccc2F)O1 ZINC000067804786 190723123 /nfs/dbraw/zinc/72/31/23/190723123.db2.gz ADOXCZJUNQWZSC-SECBINFHSA-N 1 0 312.266 3.169 10 0 DGAERO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000246395391 299121610 /nfs/dbraw/zinc/12/16/10/299121610.db2.gz PPMMTLPVWNEZDZ-OFQRWUPVSA-N 1 0 307.482 3.079 10 0 DGAERO CCCOc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000233251516 201898739 /nfs/dbraw/zinc/89/87/39/201898739.db2.gz NFYHLGPECIAOQL-RYUDHWBXSA-N 1 0 310.825 3.455 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(CC(C)C)CC2)[C@H](C)C1 ZINC000130078499 432014308 /nfs/dbraw/zinc/01/43/08/432014308.db2.gz NHIWPEWNTISJLY-HZPDHXFCSA-N 1 0 309.498 3.184 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1)[C@@H](C)c1ccccc1 ZINC000183355692 199579916 /nfs/dbraw/zinc/57/99/16/199579916.db2.gz ZIUYJYAVUSURSH-UWVAXJGDSA-N 1 0 313.441 3.346 10 0 DGAERO CC(C)c1nnc2n1C[C@H](C[NH2+]Cc1cc3ccccc3o1)CC2 ZINC000069815245 190823907 /nfs/dbraw/zinc/82/39/07/190823907.db2.gz UOTIPHULMCJDSI-AWEZNQCLSA-N 1 0 324.428 3.500 10 0 DGAERO c1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)n(-c2ccccc2)n1 ZINC000279797755 215154664 /nfs/dbraw/zinc/15/46/64/215154664.db2.gz JHVNXWROHOEBOA-LJQANCHMSA-N 1 0 311.429 3.263 10 0 DGAERO Fc1ccc(C[NH2+]C[C@H]2CCCOC2)c(Br)c1 ZINC000038045965 545673903 /nfs/dbraw/zinc/67/39/03/545673903.db2.gz HNGKCKJGBSZCDP-SNVBAGLBSA-N 1 0 302.187 3.104 10 0 DGAERO C[C@@H](C(=O)NCc1cccc(Cl)c1)[C@H]([NH3+])c1ccccc1 ZINC000130141861 185940260 /nfs/dbraw/zinc/94/02/60/185940260.db2.gz GMCQNYSBEQXHPC-WBMJQRKESA-N 1 0 302.805 3.292 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1F ZINC000083704097 192379225 /nfs/dbraw/zinc/37/92/25/192379225.db2.gz KDMVMVFSEPSNBO-WCQYABFASA-N 1 0 310.800 3.178 10 0 DGAERO CCCN(Cc1nc(-c2ccco2)no1)C[C@H]1CCCCO1 ZINC000106866669 432022902 /nfs/dbraw/zinc/02/29/02/432022902.db2.gz QJYIYRQKUBSTMD-CYBMUJFWSA-N 1 0 305.378 3.111 10 0 DGAERO Cc1ccncc1-c1cc(NC2CC[NH2+]CC2)nc2[nH]ccc21 ZINC000072168696 191067569 /nfs/dbraw/zinc/06/75/69/191067569.db2.gz QPXSIQYPERMWJE-UHFFFAOYSA-N 1 0 307.401 3.097 10 0 DGAERO CCC(=CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC ZINC000130426297 432024660 /nfs/dbraw/zinc/02/46/60/432024660.db2.gz IMKLOHCWTMGMKY-YJBOKZPZSA-N 1 0 315.461 3.155 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(-c2ccncc2)c1 ZINC000152505857 186080281 /nfs/dbraw/zinc/08/02/81/186080281.db2.gz YALDTGLLTJFFDH-KSSFIOAISA-N 1 0 309.413 3.020 10 0 DGAERO COC[C@H](C)[NH2+]CCOc1ccc(Cl)cc1Br ZINC000049799943 545689331 /nfs/dbraw/zinc/68/93/31/545689331.db2.gz IMEKLSMBAOTVLX-VIFPVBQESA-N 1 0 322.630 3.106 10 0 DGAERO CC(C)CSCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000152559714 186084916 /nfs/dbraw/zinc/08/49/16/186084916.db2.gz OSYZTNSRUBJFKC-UHFFFAOYSA-N 1 0 308.495 3.132 10 0 DGAERO CSc1ccsc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000152565142 186085804 /nfs/dbraw/zinc/08/58/04/186085804.db2.gz GWTZWVAKWZQRRI-NSHDSACASA-N 1 0 300.493 3.176 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1Cl ZINC000173331503 186177363 /nfs/dbraw/zinc/17/73/63/186177363.db2.gz DLZOEESPIMZMKE-CHWSQXEVSA-N 1 0 307.825 3.431 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000191827861 186260047 /nfs/dbraw/zinc/26/00/47/186260047.db2.gz RMHYMDXPAFWQJS-IIYDPXPESA-N 1 0 317.433 3.046 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000191830361 186260874 /nfs/dbraw/zinc/26/08/74/186260874.db2.gz DHRRBGYNUWGTDO-SPUZQDLCSA-N 1 0 303.446 3.385 10 0 DGAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000237505733 186298825 /nfs/dbraw/zinc/29/88/25/186298825.db2.gz LVXKINZDOWOQPU-GXTWGEPZSA-N 1 0 316.376 3.285 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)CC2 ZINC000171981277 198020151 /nfs/dbraw/zinc/02/01/51/198020151.db2.gz XJVKDRRYHUKDPA-AAEUAGOBSA-N 1 0 320.387 3.345 10 0 DGAERO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(F)c1 ZINC000130555915 432027307 /nfs/dbraw/zinc/02/73/07/432027307.db2.gz MDFUIFMJBPPRQP-TUBUQKNSSA-N 1 0 306.425 3.166 10 0 DGAERO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000172170656 198052051 /nfs/dbraw/zinc/05/20/51/198052051.db2.gz OGGOGVZQQQKXEE-OLZOCXBDSA-N 1 0 320.433 3.199 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000172169827 198052200 /nfs/dbraw/zinc/05/22/00/198052200.db2.gz OSWUWHHTFGQZCS-QWHCGFSZSA-N 1 0 302.418 3.385 10 0 DGAERO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC000172180807 198053981 /nfs/dbraw/zinc/05/39/81/198053981.db2.gz LDYHNHMSTVJEMS-CQSZACIVSA-N 1 0 303.450 3.126 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)NCc1ccc(F)cc1 ZINC000172603808 198122986 /nfs/dbraw/zinc/12/29/86/198122986.db2.gz YTHVLCVCLOWLLO-NWDGAFQWSA-N 1 0 306.406 3.243 10 0 DGAERO Cc1nc(C)c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)s1 ZINC000172771074 198146738 /nfs/dbraw/zinc/14/67/38/198146738.db2.gz WTTJQBNXTZJSBV-CQSZACIVSA-N 1 0 302.447 3.089 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000072553808 191191782 /nfs/dbraw/zinc/19/17/82/191191782.db2.gz ILCQPRLEUMJGAK-OLZOCXBDSA-N 1 0 310.388 3.262 10 0 DGAERO Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)c(Cl)cc1F ZINC000161551885 292837424 /nfs/dbraw/zinc/83/74/24/292837424.db2.gz MWUHNWPSLAMLRQ-UHFFFAOYSA-N 1 0 300.805 3.105 10 0 DGAERO CN1CC[C@H](NC(=O)Cc2ccoc2)[C@@H]1c1ccc(Cl)cc1 ZINC000130911899 432030749 /nfs/dbraw/zinc/03/07/49/432030749.db2.gz MDCGATMMEWASFH-RDJZCZTQSA-N 1 0 318.804 3.037 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(Cl)c1 ZINC000173387430 198208714 /nfs/dbraw/zinc/20/87/14/198208714.db2.gz QYJXDOQUKYEQHT-CJNGLKHVSA-N 1 0 319.836 3.057 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(Cl)c1 ZINC000173387455 198208943 /nfs/dbraw/zinc/20/89/43/198208943.db2.gz QYJXDOQUKYEQHT-CZUORRHYSA-N 1 0 319.836 3.057 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1Cl ZINC000173385972 198209163 /nfs/dbraw/zinc/20/91/63/198209163.db2.gz RQWZPIYTEKCHMW-KGLIPLIRSA-N 1 0 319.836 3.057 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1Cl ZINC000173385956 198209348 /nfs/dbraw/zinc/20/93/48/198209348.db2.gz RQWZPIYTEKCHMW-KBPBESRZSA-N 1 0 319.836 3.057 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](c2ccccc2)C2CC2)CC[N@@H+]1C ZINC000173617403 198232626 /nfs/dbraw/zinc/23/26/26/198232626.db2.gz DEATUQSNCUWWHD-JLSDUUJJSA-N 1 0 315.461 3.262 10 0 DGAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1cccnc1 ZINC000067529313 432031977 /nfs/dbraw/zinc/03/19/77/432031977.db2.gz MOVCEMHQXZMRJS-SFHVURJKSA-N 1 0 324.428 3.258 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3ccn(C)c3c2)CC[N@@H+]1C ZINC000173813273 198255894 /nfs/dbraw/zinc/25/58/94/198255894.db2.gz PENJWXMHDNWPQO-BBRMVZONSA-N 1 0 314.433 3.125 10 0 DGAERO Cc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000107524588 432033222 /nfs/dbraw/zinc/03/32/22/432033222.db2.gz CGHRAPCGCLNQBU-INIZCTEOSA-N 1 0 304.409 3.225 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc3cccnc32)CC[N@@H+]1C ZINC000174611240 198358232 /nfs/dbraw/zinc/35/82/32/198358232.db2.gz DVGBRILETRWIND-UKRRQHHQSA-N 1 0 312.417 3.181 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000174608344 198358352 /nfs/dbraw/zinc/35/83/52/198358352.db2.gz UVQVENBHUZUNSK-PWSUYJOCSA-N 1 0 313.804 3.426 10 0 DGAERO O=C(CSc1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107530472 432033833 /nfs/dbraw/zinc/03/38/33/432033833.db2.gz IPTCJGOMLDLUJJ-INIZCTEOSA-N 1 0 318.486 3.256 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179063797 432036932 /nfs/dbraw/zinc/03/69/32/432036932.db2.gz GZONDLAXGODNSM-BLLLJJGKSA-N 1 0 314.360 3.157 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000236770273 202002049 /nfs/dbraw/zinc/00/20/49/202002049.db2.gz FHFMGIJKIDROQG-DTQAZKPQSA-N 1 0 300.446 3.327 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1OCCC(C)C ZINC000236779073 202004991 /nfs/dbraw/zinc/00/49/91/202004991.db2.gz RTEWWFHDOHSUJE-GJZGRUSLSA-N 1 0 304.434 3.486 10 0 DGAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000236777923 202005180 /nfs/dbraw/zinc/00/51/80/202005180.db2.gz QVGFCJOWRMISBX-SUNKGSAMSA-N 1 0 316.367 3.297 10 0 DGAERO CCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000236789233 202010027 /nfs/dbraw/zinc/01/00/27/202010027.db2.gz CUVCZWQSNVYGSP-VXGBXAGGSA-N 1 0 315.244 3.213 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(F)cc1Cl ZINC000131488606 432038776 /nfs/dbraw/zinc/03/87/76/432038776.db2.gz ZMVGXHQCMAAEFC-LSDHHAIUSA-N 1 0 324.827 3.107 10 0 DGAERO O=C(Nc1ccc(F)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107723554 432038814 /nfs/dbraw/zinc/03/88/14/432038814.db2.gz NKXRYVRTEDPVFD-INIZCTEOSA-N 1 0 305.397 3.308 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2Cc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000179263869 283050367 /nfs/dbraw/zinc/05/03/67/283050367.db2.gz MYGGMTDNXGDRJU-MOPGFXCFSA-N 1 0 321.424 3.157 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCC1=CCCC1 ZINC000164176550 432045664 /nfs/dbraw/zinc/04/56/64/432045664.db2.gz BGEJTXDOUDOWHZ-INIZCTEOSA-N 1 0 307.482 3.441 10 0 DGAERO Cc1cc2nc(Cl)c(NCC3CC[NH2+]CC3)nc2cc1C ZINC000073736010 191349849 /nfs/dbraw/zinc/34/98/49/191349849.db2.gz HRMWWKRLKWOHSY-UHFFFAOYSA-N 1 0 304.825 3.312 10 0 DGAERO CC(C)(CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000179183723 432048403 /nfs/dbraw/zinc/04/84/03/432048403.db2.gz QEELSKHYZPGZKI-SFHVURJKSA-N 1 0 314.473 3.441 10 0 DGAERO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000179193815 432049214 /nfs/dbraw/zinc/04/92/14/432049214.db2.gz RGMWNHMMSFVAFX-AWEZNQCLSA-N 1 0 320.864 3.215 10 0 DGAERO CC(C)Cn1ccnc1CN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000164817971 432051681 /nfs/dbraw/zinc/05/16/81/432051681.db2.gz BJFJNLQJGWPNSI-PEBXRYMYSA-N 1 0 319.474 3.127 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC000164979338 432052681 /nfs/dbraw/zinc/05/26/81/432052681.db2.gz PSIFFNVVVBJDAY-HNNXBMFYSA-N 1 0 313.445 3.341 10 0 DGAERO CC(C)C[C@H](C)[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000470360520 535299755 /nfs/dbraw/zinc/29/97/55/535299755.db2.gz CKNTXGHAGIFAIV-WCQYABFASA-N 1 0 303.368 3.279 10 0 DGAERO C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000080715988 192184044 /nfs/dbraw/zinc/18/40/44/192184044.db2.gz OYWSQZUJOJEVIV-CCNLRDMRSA-N 1 0 300.446 3.312 10 0 DGAERO C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccc(Cl)nc1 ZINC000080913488 192201054 /nfs/dbraw/zinc/20/10/54/192201054.db2.gz HEQGBSBTYDXPQP-UHFFFAOYSA-N 1 0 321.783 3.335 10 0 DGAERO CCOc1cc(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)ccc1C ZINC000081334405 192252077 /nfs/dbraw/zinc/25/20/77/192252077.db2.gz ZESOGFFPAAQSGV-INIZCTEOSA-N 1 0 318.461 3.198 10 0 DGAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3c(C)ccc(C)c31)CC2 ZINC000179425535 432057529 /nfs/dbraw/zinc/05/75/29/432057529.db2.gz GIFBCEDIMHAXHT-DOTOQJQBSA-N 1 0 310.445 3.185 10 0 DGAERO CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179471883 432058965 /nfs/dbraw/zinc/05/89/65/432058965.db2.gz RVAYDFGJXPYQHK-JKSUJKDBSA-N 1 0 303.450 3.310 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C/C=C/c1ccc(F)cc1 ZINC000081543461 192287795 /nfs/dbraw/zinc/28/77/95/192287795.db2.gz XQDYEVKCULVNPP-CSPWOOARSA-N 1 0 304.409 3.220 10 0 DGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000179436354 432058390 /nfs/dbraw/zinc/05/83/90/432058390.db2.gz GKXWGBNTOWIPDC-TZMCWYRMSA-N 1 0 316.376 3.172 10 0 DGAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1nc2c(s1)CCCC2 ZINC000179431512 432058752 /nfs/dbraw/zinc/05/87/52/432058752.db2.gz PUTJIUGJNWZWMP-CXMBCZLWSA-N 1 0 314.454 3.331 10 0 DGAERO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000236842300 202034306 /nfs/dbraw/zinc/03/43/06/202034306.db2.gz BHSQENIJXNCHQB-QGZVFWFLSA-N 1 0 304.365 3.189 10 0 DGAERO C[C@@H](C[NH2+]CCC(=O)NC1CCCCC1)Cc1ccccc1 ZINC000133204597 432059175 /nfs/dbraw/zinc/05/91/75/432059175.db2.gz DMEIKSWOSJKLBB-MRXNPFEDSA-N 1 0 302.462 3.294 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)N(C3CC3)C1)CCCO2 ZINC000166286125 432059831 /nfs/dbraw/zinc/05/98/31/432059831.db2.gz FCNSGVYVXAWLLI-RLFYNMQTSA-N 1 0 300.446 3.424 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000236924207 202073743 /nfs/dbraw/zinc/07/37/43/202073743.db2.gz YSEWGFAIBVSDPM-XHDPSFHLSA-N 1 0 304.390 3.040 10 0 DGAERO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236926364 202075008 /nfs/dbraw/zinc/07/50/08/202075008.db2.gz QKWDZLLRTLVHKP-VXGBXAGGSA-N 1 0 315.244 3.469 10 0 DGAERO CCc1ccc(C(=O)CCC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000236961654 202095285 /nfs/dbraw/zinc/09/52/85/202095285.db2.gz SNOPWWRENMTSSH-KRWDZBQOSA-N 1 0 318.461 3.044 10 0 DGAERO CCc1ccc(-c2csc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)n2)cc1 ZINC000236990612 202110233 /nfs/dbraw/zinc/11/02/33/202110233.db2.gz NSQDAWZIYOUGON-KBPBESRZSA-N 1 0 315.442 3.438 10 0 DGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000236988370 202110879 /nfs/dbraw/zinc/11/08/79/202110879.db2.gz FNSADKLMLDNBCJ-DYVFJYSZSA-N 1 0 316.401 3.308 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)s1 ZINC000166452833 432060994 /nfs/dbraw/zinc/06/09/94/432060994.db2.gz HAHOPADSGVHTFK-ZIAGYGMSSA-N 1 0 304.463 3.110 10 0 DGAERO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000237076115 202144880 /nfs/dbraw/zinc/14/48/80/202144880.db2.gz VRWQYTGDJGHRRA-CYBMUJFWSA-N 1 0 316.376 3.157 10 0 DGAERO Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000237130864 202161861 /nfs/dbraw/zinc/16/18/61/202161861.db2.gz AXTHTJRMBRIABQ-RDJZCZTQSA-N 1 0 302.462 3.249 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000166678132 432061759 /nfs/dbraw/zinc/06/17/59/432061759.db2.gz CQBXYEHBPRGGTP-KBPBESRZSA-N 1 0 307.401 3.383 10 0 DGAERO CCC[C@H](C(=O)NCCc1csc2ccccc12)[NH+](C)C ZINC000179537376 432062283 /nfs/dbraw/zinc/06/22/83/432062283.db2.gz BXJFARQCGBVARY-OAHLLOKOSA-N 1 0 304.459 3.290 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2cc(C3CC3)nc3ccc(C)cc32)CC1 ZINC000237169679 202175201 /nfs/dbraw/zinc/17/52/01/202175201.db2.gz LKOMQAJUALFFSC-UHFFFAOYSA-N 1 0 323.440 3.245 10 0 DGAERO Cc1ccc(SCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000237204432 202189068 /nfs/dbraw/zinc/18/90/68/202189068.db2.gz IRRNHXTUQCBNJU-XYPWUTKMSA-N 1 0 318.486 3.219 10 0 DGAERO Cc1cn2c(CN3CCC[C@@H]3C[NH+]3CCCC3)c(C)nc2s1 ZINC000179646787 432065513 /nfs/dbraw/zinc/06/55/13/432065513.db2.gz RRGOLHVYSMTWGG-OAHLLOKOSA-N 1 0 318.490 3.073 10 0 DGAERO Cc1nn(C)cc1[C@H](C)[NH2+]CCCCOCc1ccccc1 ZINC000178238736 198836681 /nfs/dbraw/zinc/83/66/81/198836681.db2.gz QMVFJBQAZZPCPO-HNNXBMFYSA-N 1 0 301.434 3.376 10 0 DGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000167718256 432067165 /nfs/dbraw/zinc/06/71/65/432067165.db2.gz GEVAEPSOPSRSDI-RWUOKQAASA-N 1 0 300.450 3.090 10 0 DGAERO CC1(O)CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000179722373 432067930 /nfs/dbraw/zinc/06/79/30/432067930.db2.gz XHWYEHDVNPMLIG-UHFFFAOYSA-N 1 0 300.377 3.235 10 0 DGAERO CC[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1cnn(C)c1 ZINC000168405764 432068408 /nfs/dbraw/zinc/06/84/08/432068408.db2.gz SMRCTEQTCOAKDA-OAHLLOKOSA-N 1 0 304.463 3.191 10 0 DGAERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1nccs1 ZINC000179741716 432069616 /nfs/dbraw/zinc/06/96/16/432069616.db2.gz IJPGHSPUDRGZTK-GFCCVEGCSA-N 1 0 318.446 3.184 10 0 DGAERO CC[C@H](C(=O)N[C@@H]1CCCOc2c(Cl)cccc21)[NH+](C)C ZINC000179759561 432070336 /nfs/dbraw/zinc/07/03/36/432070336.db2.gz GXMDIEVQWOTMJT-ZIAGYGMSSA-N 1 0 310.825 3.010 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](Cc3cnn4ccccc34)C2)n1 ZINC000179826984 432072266 /nfs/dbraw/zinc/07/22/66/432072266.db2.gz PKUDZCLXQWKRCT-AWEZNQCLSA-N 1 0 312.442 3.479 10 0 DGAERO C[NH+](C)[C@@H](CNc1ncc(C(F)(F)F)s1)c1ccco1 ZINC000276741454 213080669 /nfs/dbraw/zinc/08/06/69/213080669.db2.gz GNDUTYJVRAPWBG-QMMMGPOBSA-N 1 0 305.325 3.470 10 0 DGAERO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@H]1CCOC1 ZINC000179454901 199038522 /nfs/dbraw/zinc/03/85/22/199038522.db2.gz YTQDBQSPFQOAAN-OCCSQVGLSA-N 1 0 304.365 3.038 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccccc1N(C)C ZINC000179400605 199029608 /nfs/dbraw/zinc/02/96/08/199029608.db2.gz RRZRYITXPNETRW-OAHLLOKOSA-N 1 0 321.428 3.184 10 0 DGAERO COCCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000179623553 199065927 /nfs/dbraw/zinc/06/59/27/199065927.db2.gz VDJJSIRYYLIJQP-CQSZACIVSA-N 1 0 317.351 3.486 10 0 DGAERO Cc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1F ZINC000179931434 199096648 /nfs/dbraw/zinc/09/66/48/199096648.db2.gz JQZZXVDZLVYXMH-AWEZNQCLSA-N 1 0 305.397 3.226 10 0 DGAERO CCc1nnc(C[NH2+][C@@H](CC)C(C)(C)c2ccccc2)n1C ZINC000180003493 199105297 /nfs/dbraw/zinc/10/52/97/199105297.db2.gz RIPYBXJSAHHIPM-HNNXBMFYSA-N 1 0 300.450 3.224 10 0 DGAERO CCS[C@@H]1CCCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185003235 199793907 /nfs/dbraw/zinc/79/39/07/199793907.db2.gz HSGQWRZSTVMCOD-OAHLLOKOSA-N 1 0 320.462 3.183 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000180127316 199120362 /nfs/dbraw/zinc/12/03/62/199120362.db2.gz QEYNYOYEUBYVHV-SFHVURJKSA-N 1 0 309.413 3.132 10 0 DGAERO Cc1cscc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180179012 199126846 /nfs/dbraw/zinc/12/68/46/199126846.db2.gz NTWABWKBYZVFNY-JKSUJKDBSA-N 1 0 300.427 3.232 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)[C@H]1CCCO1 ZINC000180457036 199161652 /nfs/dbraw/zinc/16/16/52/199161652.db2.gz CPVMLZWOPSBPEJ-IUODEOHRSA-N 1 0 308.447 3.117 10 0 DGAERO COc1c(C)cc(CN(C)C(=O)CCCCCC[NH3+])cc1C ZINC000237296851 202222052 /nfs/dbraw/zinc/22/20/52/202222052.db2.gz IXOLKPCHMMLSIN-UHFFFAOYSA-N 1 0 306.450 3.180 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000237332100 202235806 /nfs/dbraw/zinc/23/58/06/202235806.db2.gz RMLGQPDULWPVDP-QGZVFWFLSA-N 1 0 310.441 3.385 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Cl)sc1Cl ZINC000180488944 199165986 /nfs/dbraw/zinc/16/59/86/199165986.db2.gz PYRCDSMXZFMESB-BDAKNGLRSA-N 1 0 309.262 3.036 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000180585203 199179369 /nfs/dbraw/zinc/17/93/69/199179369.db2.gz RKOJLDJDPAXFOR-AZUAARDMSA-N 1 0 308.425 3.295 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000180585215 199180053 /nfs/dbraw/zinc/18/00/53/199180053.db2.gz RKOJLDJDPAXFOR-ICSRJNTNSA-N 1 0 308.425 3.295 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)c2ccccc12 ZINC000180590137 199180411 /nfs/dbraw/zinc/18/04/11/199180411.db2.gz JNNRZURSHVUAPA-KBPBESRZSA-N 1 0 322.412 3.106 10 0 DGAERO Cc1nc2cc(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)ccc2o1 ZINC000237382752 202249502 /nfs/dbraw/zinc/24/95/02/202249502.db2.gz PFJLOKGMAULNCO-WCQYABFASA-N 1 0 301.390 3.101 10 0 DGAERO C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237410067 202258123 /nfs/dbraw/zinc/25/81/23/202258123.db2.gz MEAQXHRLLZIKDX-VHDGCEQUSA-N 1 0 300.402 3.470 10 0 DGAERO Cn1cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c(C(C)(C)C)n1 ZINC000179957620 432075836 /nfs/dbraw/zinc/07/58/36/432075836.db2.gz GRDDPFZZOQAPOH-QGZVFWFLSA-N 1 0 318.509 3.168 10 0 DGAERO Cc1nc2cc(NC(=O)C[C@H](C)C3CC[NH2+]CC3)ccc2o1 ZINC000237382713 202250438 /nfs/dbraw/zinc/25/04/38/202250438.db2.gz HVSKDTYCTZYWKG-NSHDSACASA-N 1 0 301.390 3.101 10 0 DGAERO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccco2)N2CCOCC2)s1 ZINC000180658926 199192620 /nfs/dbraw/zinc/19/26/20/199192620.db2.gz GYCWKIQKDWWMGX-CABCVRRESA-N 1 0 320.458 3.374 10 0 DGAERO CC[C@H](C(=O)NC[C@H](C)[NH+](CC)CC)c1ccc(OC)cc1 ZINC000180728577 199203107 /nfs/dbraw/zinc/20/31/07/199203107.db2.gz KUXBCOQYVLCWJC-YOEHRIQHSA-N 1 0 306.450 3.035 10 0 DGAERO CCCc1cnc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000180845737 199217450 /nfs/dbraw/zinc/21/74/50/199217450.db2.gz LCRZMHIECSZGMP-GXTWGEPZSA-N 1 0 324.494 3.290 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)ccc1O ZINC000180074254 432077187 /nfs/dbraw/zinc/07/71/87/432077187.db2.gz MBEPNUZVVOCMJM-CYBMUJFWSA-N 1 0 304.415 3.237 10 0 DGAERO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000170748655 432078887 /nfs/dbraw/zinc/07/88/87/432078887.db2.gz VMARANUYJRXZEI-LLVKDONJSA-N 1 0 310.854 3.218 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cn(C)nc3C(C)(C)C)C2)c1 ZINC000180140905 432079310 /nfs/dbraw/zinc/07/93/10/432079310.db2.gz SJMWQUFUDSGIRE-MRXNPFEDSA-N 1 0 315.465 3.060 10 0 DGAERO COC(=O)c1cc(F)ccc1C[N@@H+]1CCCC[C@H](SC)C1 ZINC000134609932 432081712 /nfs/dbraw/zinc/08/17/12/432081712.db2.gz KAOHKGJBGMBEDT-AWEZNQCLSA-N 1 0 311.422 3.330 10 0 DGAERO COCc1ccsc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000180241063 432082132 /nfs/dbraw/zinc/08/21/32/432082132.db2.gz IQJUVYNITKCAGD-UHFFFAOYSA-N 1 0 324.490 3.279 10 0 DGAERO CC(C)C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170826260 432083209 /nfs/dbraw/zinc/08/32/09/432083209.db2.gz PDPGBYRDTMBIQU-IRXDYDNUSA-N 1 0 303.450 3.119 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000186775608 200008585 /nfs/dbraw/zinc/00/85/85/200008585.db2.gz IXWWEEJMYZQACJ-BEFAXECRSA-N 1 0 308.425 3.005 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCCc1csc2ccccc12 ZINC000186787876 200009911 /nfs/dbraw/zinc/00/99/11/200009911.db2.gz UWSRJBYUNWNDPA-CJNGLKHVSA-N 1 0 316.470 3.338 10 0 DGAERO COc1ccc(C[C@H](C)C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1F ZINC000186830629 200017696 /nfs/dbraw/zinc/01/76/96/200017696.db2.gz BWOFJENXPNYWSY-ZOBUZTSGSA-N 1 0 322.468 3.427 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186767991 200007457 /nfs/dbraw/zinc/00/74/57/200007457.db2.gz BNBIICYSGWHQRU-OAHLLOKOSA-N 1 0 318.461 3.150 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc(F)c1 ZINC000186841929 200019651 /nfs/dbraw/zinc/01/96/51/200019651.db2.gz LTLPZKWGFKMWOU-IAGOWNOFSA-N 1 0 314.408 3.325 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000186837893 200020068 /nfs/dbraw/zinc/02/00/68/200020068.db2.gz URLLGXWPCIRGTR-KDOFPFPSSA-N 1 0 310.397 3.207 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000186862954 200023141 /nfs/dbraw/zinc/02/31/41/200023141.db2.gz SZOQQGIQABGNTH-FZMZJTMJSA-N 1 0 318.804 3.328 10 0 DGAERO CCC[NH+]1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000186972019 200040998 /nfs/dbraw/zinc/04/09/98/200040998.db2.gz VVINFXYBDDKQJM-UHFFFAOYSA-N 1 0 311.376 3.358 10 0 DGAERO [NH3+]C[C@@H]1CCCCN1CCOc1c(Cl)cccc1Cl ZINC000044557396 283459075 /nfs/dbraw/zinc/45/90/75/283459075.db2.gz WTOHPVWBRRAARP-NSHDSACASA-N 1 0 303.233 3.185 10 0 DGAERO CCCc1cccc(C[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000187177951 200072419 /nfs/dbraw/zinc/07/24/19/200072419.db2.gz NNVDRHMDIFFNGS-QGZVFWFLSA-N 1 0 312.461 3.459 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000187404127 200107298 /nfs/dbraw/zinc/10/72/98/200107298.db2.gz UINZCMJUMAJLDY-MRXNPFEDSA-N 1 0 305.487 3.463 10 0 DGAERO Cc1ncc([C@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)s1 ZINC000180401370 432084747 /nfs/dbraw/zinc/08/47/47/432084747.db2.gz RUGVLVMTECNZCG-GXFFZTMASA-N 1 0 301.415 3.228 10 0 DGAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000237562191 202285086 /nfs/dbraw/zinc/28/50/86/202285086.db2.gz CCHLCMDRAASIKL-DZGCQCFKSA-N 1 0 314.385 3.414 10 0 DGAERO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccco3)CCN2C2CC2)c1 ZINC000180379400 432085507 /nfs/dbraw/zinc/08/55/07/432085507.db2.gz VBDMJDIDPJNVBL-RBUKOAKNSA-N 1 0 312.413 3.356 10 0 DGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccccc2)o1 ZINC000180422038 432085765 /nfs/dbraw/zinc/08/57/65/432085765.db2.gz CHUMQHACIQJYMJ-ZIAGYGMSSA-N 1 0 314.385 3.158 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)Cc1ccccc1F)CC2 ZINC000188342623 200230966 /nfs/dbraw/zinc/23/09/66/200230966.db2.gz CQIDVHUHOPNJLU-DZGCQCFKSA-N 1 0 316.424 3.076 10 0 DGAERO Cc1ccccc1C1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCCCC1 ZINC000237694092 202330541 /nfs/dbraw/zinc/33/05/41/202330541.db2.gz COZAPMLLFNPDJE-DLBZAZTESA-N 1 0 314.473 3.441 10 0 DGAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000188380530 200236560 /nfs/dbraw/zinc/23/65/60/200236560.db2.gz ZMWNRYXWPDLSGP-WMLDXEAASA-N 1 0 304.434 3.282 10 0 DGAERO Cc1ccccc1C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237702220 202332624 /nfs/dbraw/zinc/33/26/24/202332624.db2.gz SLHROXUWIUDUIJ-SZMVWBNQSA-N 1 0 312.457 3.064 10 0 DGAERO Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000237983007 202412299 /nfs/dbraw/zinc/41/22/99/202412299.db2.gz ZANJQOUBASKCKW-KGLIPLIRSA-N 1 0 304.459 3.110 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccsc1 ZINC000189041959 200340073 /nfs/dbraw/zinc/34/00/73/200340073.db2.gz CXWOTOVYDXROHJ-LRDDRELGSA-N 1 0 318.417 3.339 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(-c2cccs2)cc1 ZINC000180488744 432088125 /nfs/dbraw/zinc/08/81/25/432088125.db2.gz QHJWSRDBCFESBI-RHSMWYFYSA-N 1 0 316.470 3.396 10 0 DGAERO C[C@H](CCc1ccccc1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000170940050 432088552 /nfs/dbraw/zinc/08/85/52/432088552.db2.gz JIUKWLYUCDZSAK-IEBWSBKVSA-N 1 0 324.472 3.399 10 0 DGAERO CCC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccccn1 ZINC000180507853 432088599 /nfs/dbraw/zinc/08/85/99/432088599.db2.gz STFBNYVBAWUQPC-GOEBONIOSA-N 1 0 313.449 3.242 10 0 DGAERO CCCn1cc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cn1 ZINC000180538911 432089251 /nfs/dbraw/zinc/08/92/51/432089251.db2.gz GKEVEUZYBDPTAC-LJQANCHMSA-N 1 0 313.445 3.127 10 0 DGAERO COC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000170961230 432089330 /nfs/dbraw/zinc/08/93/30/432089330.db2.gz MUVOQMFOYGAUAI-HNNXBMFYSA-N 1 0 318.461 3.102 10 0 DGAERO c1ccc([C@@H]([NH2+]CCN2CCc3ccccc32)[C@H]2CCOC2)cc1 ZINC000428324510 238016125 /nfs/dbraw/zinc/01/61/25/238016125.db2.gz LBSATBFDJLQBPC-PZJWPPBQSA-N 1 0 322.452 3.417 10 0 DGAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)cc1 ZINC000190848613 200593944 /nfs/dbraw/zinc/59/39/44/200593944.db2.gz GJHIHBNHJSGDGF-WMLDXEAASA-N 1 0 304.434 3.282 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C2(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246074758 432091417 /nfs/dbraw/zinc/09/14/17/432091417.db2.gz DASTZDYJHXEXMH-WMZOPIPTSA-N 1 0 314.473 3.198 10 0 DGAERO Cc1cc(Br)ccc1C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191259159 200654782 /nfs/dbraw/zinc/65/47/82/200654782.db2.gz HNMABCCOWHNCRK-RYUDHWBXSA-N 1 0 312.251 3.491 10 0 DGAERO CC(C)(O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189808965 432092433 /nfs/dbraw/zinc/09/24/33/432092433.db2.gz JTUCIKIQTVZLSD-UHFFFAOYSA-N 1 0 312.251 3.399 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1cc(F)ccc1F)CC2 ZINC000180615916 432092735 /nfs/dbraw/zinc/09/27/35/432092735.db2.gz IPWKRELIUXVLDN-WFASDCNBSA-N 1 0 320.387 3.174 10 0 DGAERO c1cn2c(C[N@@H+]3CCC[C@@]4(CCOC4)C3)c(C3CC3)nc2s1 ZINC000449682278 240365832 /nfs/dbraw/zinc/36/58/32/240365832.db2.gz NKZGVBNDZLCXBM-QGZVFWFLSA-N 1 0 317.458 3.276 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)CSC(C)(C)C)CC2 ZINC000180635829 432093141 /nfs/dbraw/zinc/09/31/41/432093141.db2.gz HSSLKYDWQQFRKL-OLZOCXBDSA-N 1 0 310.511 3.226 10 0 DGAERO O=C(C[C@H]1CCCc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000170990883 432093426 /nfs/dbraw/zinc/09/34/26/432093426.db2.gz ILLGZDVTSYAMEX-QZTJIDSGSA-N 1 0 312.457 3.193 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180640133 432093776 /nfs/dbraw/zinc/09/37/76/432093776.db2.gz SMJBCVWHTHFUPC-AAEUAGOBSA-N 1 0 319.478 3.140 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)ccc2C)[C@@H](C)C1 ZINC000246083133 432093689 /nfs/dbraw/zinc/09/36/89/432093689.db2.gz UEVJDMOOUJLPBU-DOTOQJQBSA-N 1 0 303.450 3.497 10 0 DGAERO OCCC1(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193163859 201000481 /nfs/dbraw/zinc/00/04/81/201000481.db2.gz RWHAHSVYJHRPRO-CQSZACIVSA-N 1 0 310.235 3.189 10 0 DGAERO COc1ccc(NC(=O)CC[C@@H](C)[NH3+])cc1Cc1ccccc1 ZINC000193183268 201002961 /nfs/dbraw/zinc/00/29/61/201002961.db2.gz UFIUOVXWPXIJDN-CQSZACIVSA-N 1 0 312.413 3.352 10 0 DGAERO COc1ccc([C@H]2CCCCCN2C(=O)CC[C@@H](C)[NH3+])cc1 ZINC000193183079 201003278 /nfs/dbraw/zinc/00/32/78/201003278.db2.gz VIAGOVDJKFQWDQ-RHSMWYFYSA-N 1 0 304.434 3.266 10 0 DGAERO C[C@H]([NH3+])CCC(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000193260356 201015363 /nfs/dbraw/zinc/01/53/63/201015363.db2.gz ZYALSKLOOPFLNG-ZFWWWQNUSA-N 1 0 302.443 3.276 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)o1 ZINC000193602104 201084422 /nfs/dbraw/zinc/08/44/22/201084422.db2.gz ZXPDJKYCQOJEGY-BBRMVZONSA-N 1 0 323.820 3.470 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246116364 432096779 /nfs/dbraw/zinc/09/67/79/432096779.db2.gz KLDOKEIYUYTYAI-JKSUJKDBSA-N 1 0 320.502 3.249 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000193684436 201103393 /nfs/dbraw/zinc/10/33/93/201103393.db2.gz SPQVOHPQSMLSLR-DGCLKSJQSA-N 1 0 314.882 3.133 10 0 DGAERO Cc1ccc([C@@H]([NH2+]CCC(=O)N(C)C)c2ccccc2)c(C)c1 ZINC000193873513 201135857 /nfs/dbraw/zinc/13/58/57/201135857.db2.gz LSDQJFGNQXNEPW-FQEVSTJZSA-N 1 0 310.441 3.461 10 0 DGAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000194184376 201193111 /nfs/dbraw/zinc/19/31/11/201193111.db2.gz IHFDOYYFAZFCPZ-UHFFFAOYSA-N 1 0 322.330 3.307 10 0 DGAERO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000194384352 201214957 /nfs/dbraw/zinc/21/49/57/201214957.db2.gz GKRVEOQIFAPQJI-LPHOPBHVSA-N 1 0 310.441 3.079 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(COC(C)C)cc1 ZINC000194407964 201220901 /nfs/dbraw/zinc/22/09/01/201220901.db2.gz PUEQFHZZUMTIEQ-HNNXBMFYSA-N 1 0 321.465 3.463 10 0 DGAERO Fc1ccc(-c2nc(CC[NH2+]C[C@@H]3CCC=CO3)co2)cc1 ZINC000194428667 201225877 /nfs/dbraw/zinc/22/58/77/201225877.db2.gz CEYNTOUNGWGVHN-INIZCTEOSA-N 1 0 302.349 3.306 10 0 DGAERO C[N@H+](CC(=O)Nc1ccncc1)Cc1cccc2ccccc21 ZINC000171053524 432098219 /nfs/dbraw/zinc/09/82/19/432098219.db2.gz PXLTZILPJSYGRS-UHFFFAOYSA-N 1 0 305.381 3.305 10 0 DGAERO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000194985812 201322013 /nfs/dbraw/zinc/32/20/13/201322013.db2.gz AUWARSPZUUWFPG-NSHDSACASA-N 1 0 302.399 3.386 10 0 DGAERO Cn1c2ccc(C[N@H+](C)C(C3CC3)C3CC3)cc2sc1=O ZINC000194997096 201322962 /nfs/dbraw/zinc/32/29/62/201322962.db2.gz MGCPTBFDICTMTC-UHFFFAOYSA-N 1 0 302.443 3.220 10 0 DGAERO Cn1nccc1C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000069327748 283728694 /nfs/dbraw/zinc/72/86/94/283728694.db2.gz QMDDCZNJCCMHCG-UHFFFAOYSA-N 1 0 312.442 3.409 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)SCc1ccccc1 ZINC000072012942 283745370 /nfs/dbraw/zinc/74/53/70/283745370.db2.gz AYPXRNNRJJOQPR-WBVHZDCISA-N 1 0 322.518 3.401 10 0 DGAERO c1ccc(-c2nccc(-c3ccc(C4=[NH+]CCN4)cc3)n2)cc1 ZINC000006582749 181357244 /nfs/dbraw/zinc/35/72/44/181357244.db2.gz ZLTFXDQUFZSTKV-UHFFFAOYSA-N 1 0 300.365 3.160 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000171084633 432102200 /nfs/dbraw/zinc/10/22/00/432102200.db2.gz YMPPJCUCEBBIEA-LLVKDONJSA-N 1 0 315.389 3.169 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc(C2CCCCC2)n1 ZINC000180842621 432102365 /nfs/dbraw/zinc/10/23/65/432102365.db2.gz NRJJGPRFLKUUSP-JKSUJKDBSA-N 1 0 318.465 3.176 10 0 DGAERO CC[C@@H](C)Oc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000171081378 432103181 /nfs/dbraw/zinc/10/31/81/432103181.db2.gz AAKKRCSSYJQQEM-UKRRQHHQSA-N 1 0 305.422 3.032 10 0 DGAERO C[C@H](NC(=O)NC[C@@H]1C[C@H]1c1ccccc1)C(C)(C)C[NH+](C)C ZINC000246183368 432103651 /nfs/dbraw/zinc/10/36/51/432103651.db2.gz HNYLBDZCWWAJRQ-XIRDDKMYSA-N 1 0 317.477 3.066 10 0 DGAERO Cn1cncc1[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)cc2)CCO1 ZINC000275470366 212354424 /nfs/dbraw/zinc/35/44/24/212354424.db2.gz HQFKMVYRBSYRHS-FFFWVMEBSA-N 1 0 315.392 3.082 10 0 DGAERO C[C@@H]1CSC[C@H]1[NH2+]CCc1ccccc1Br ZINC000449103254 240017771 /nfs/dbraw/zinc/01/77/71/240017771.db2.gz AEKGDTBMSGLMSR-ZWNOBZJWSA-N 1 0 300.265 3.333 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449113129 240024154 /nfs/dbraw/zinc/02/41/54/240024154.db2.gz VHQYQFFMJUVIBS-NVPAJSRCSA-N 1 0 314.429 3.401 10 0 DGAERO Cc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000171112278 432104384 /nfs/dbraw/zinc/10/43/84/432104384.db2.gz JHMPEDUNYBBWBU-AWEZNQCLSA-N 1 0 302.443 3.066 10 0 DGAERO COc1cc(F)cc(C[NH2+]CC[C@H]2COc3ccccc3O2)c1 ZINC000449184019 240056974 /nfs/dbraw/zinc/05/69/74/240056974.db2.gz FEHTWDYPJOBCNM-HNNXBMFYSA-N 1 0 317.360 3.154 10 0 DGAERO COCC1CCC([NH2+]CC[C@H]2COc3ccccc3O2)CC1 ZINC000449189208 240058529 /nfs/dbraw/zinc/05/85/29/240058529.db2.gz LYPJZYVXUYNLRW-GPANFISMSA-N 1 0 305.418 3.011 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1cccs1 ZINC000171111141 432104457 /nfs/dbraw/zinc/10/44/57/432104457.db2.gz BHPQUQWXTCXQTK-STQMWFEESA-N 1 0 300.427 3.377 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449281092 240106071 /nfs/dbraw/zinc/10/60/71/240106071.db2.gz CDLYVLYUAQQYLM-LAUBAEHRSA-N 1 0 322.452 3.146 10 0 DGAERO COc1cc(F)cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000449315567 240128369 /nfs/dbraw/zinc/12/83/69/240128369.db2.gz IXNDFYCGBXUETA-CYBMUJFWSA-N 1 0 317.364 3.084 10 0 DGAERO CC1=CCN(CC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449244755 240087386 /nfs/dbraw/zinc/08/73/86/240087386.db2.gz VMIFFLSJLJZEEM-UHFFFAOYSA-N 1 0 306.494 3.498 10 0 DGAERO Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)s1 ZINC000075411065 283820677 /nfs/dbraw/zinc/82/06/77/283820677.db2.gz DONXVWVTGZGMAA-HNNXBMFYSA-N 1 0 317.458 3.351 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000449497840 240248291 /nfs/dbraw/zinc/24/82/91/240248291.db2.gz ATOMMSNQLYUZDM-AGRHKRQWSA-N 1 0 303.446 3.013 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC000449497841 240248962 /nfs/dbraw/zinc/24/89/62/240248962.db2.gz ATOMMSNQLYUZDM-BKTGTZMESA-N 1 0 303.446 3.013 10 0 DGAERO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1c(Br)cnn1C ZINC000449437309 240204208 /nfs/dbraw/zinc/20/42/08/240204208.db2.gz YUDAGBQLYPTVLO-MNOVXSKESA-N 1 0 300.244 3.099 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2nc3ccccc3s2)C1 ZINC000246187166 432105064 /nfs/dbraw/zinc/10/50/64/432105064.db2.gz HPXMSKLKIYMYPG-DGCLKSJQSA-N 1 0 318.446 3.147 10 0 DGAERO COCCN(C)c1ccc(C[NH2+]CC2CCCCCC2)cn1 ZINC000449485072 240235666 /nfs/dbraw/zinc/23/56/66/240235666.db2.gz KRXGUYAPBXLTBU-UHFFFAOYSA-N 1 0 305.466 3.224 10 0 DGAERO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)C(C)C ZINC000449509534 240255172 /nfs/dbraw/zinc/25/51/72/240255172.db2.gz JEBLTNNHSFHGMA-YOEHRIQHSA-N 1 0 305.422 3.048 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000449510567 240258118 /nfs/dbraw/zinc/25/81/18/240258118.db2.gz QJQHKTAHXRYWIH-SJLPKXTDSA-N 1 0 309.450 3.083 10 0 DGAERO O=C(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246193725 432105775 /nfs/dbraw/zinc/10/57/75/432105775.db2.gz TTXYUVJGJFZGPN-HKUYNNGSSA-N 1 0 312.457 3.208 10 0 DGAERO c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449688022 240371366 /nfs/dbraw/zinc/37/13/66/240371366.db2.gz SGROTKIEWITJFA-KRWDZBQOSA-N 1 0 315.442 3.208 10 0 DGAERO c1nn2ccccc2c1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000449716706 240379476 /nfs/dbraw/zinc/37/94/76/240379476.db2.gz LPMPGTLCHCBYDT-UHFFFAOYSA-N 1 0 321.424 3.216 10 0 DGAERO CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000246190333 432105611 /nfs/dbraw/zinc/10/56/11/432105611.db2.gz IXNCLMDMVSJYAN-PKOBYXMFSA-N 1 0 324.424 3.319 10 0 DGAERO C[C@H](c1nnc(-c2ccccc2)o1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246197996 432105980 /nfs/dbraw/zinc/10/59/80/432105980.db2.gz VHOABNZQJBHUEZ-CABCVRRESA-N 1 0 314.433 3.071 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246198003 432106272 /nfs/dbraw/zinc/10/62/72/432106272.db2.gz VHOABNZQJBHUEZ-GJZGRUSLSA-N 1 0 314.433 3.071 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)C2CC2)cc1 ZINC000091347295 193044418 /nfs/dbraw/zinc/04/44/18/193044418.db2.gz NABDUJWUXMITNA-QUCCMNQESA-N 1 0 324.472 3.438 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)C2CC2)cc1 ZINC000091347298 193044652 /nfs/dbraw/zinc/04/46/52/193044652.db2.gz NABDUJWUXMITNA-ICSRJNTNSA-N 1 0 324.472 3.438 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091539336 193070732 /nfs/dbraw/zinc/07/07/32/193070732.db2.gz HQZQRPRRYFQCSS-KOLCDFICSA-N 1 0 301.217 3.079 10 0 DGAERO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000248988857 202776796 /nfs/dbraw/zinc/77/67/96/202776796.db2.gz WGQDLXWZGMQDRB-LCGIIJARSA-N 1 0 305.422 3.132 10 0 DGAERO C[NH+](C)C1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000091669344 193088160 /nfs/dbraw/zinc/08/81/60/193088160.db2.gz DFAWDICZDCFPOV-UHFFFAOYSA-N 1 0 313.420 3.414 10 0 DGAERO OCC[C@]1(C[NH2+][C@@H](c2cccs2)C2CCCC2)CCOC1 ZINC000091737771 193099142 /nfs/dbraw/zinc/09/91/42/193099142.db2.gz RUUDFNMQBVCKNV-IAGOWNOFSA-N 1 0 309.475 3.358 10 0 DGAERO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cnn(C)c1 ZINC000091739750 193100276 /nfs/dbraw/zinc/10/02/76/193100276.db2.gz KJXUPBIMYCRLDG-LBPRGKRZSA-N 1 0 314.364 3.108 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1C ZINC000091855942 193118141 /nfs/dbraw/zinc/11/81/41/193118141.db2.gz YYIXQMGPNHQABI-JKSUJKDBSA-N 1 0 307.459 3.018 10 0 DGAERO c1c(CN2CCC[C@H]([NH+]3CCCC3)C2)[nH]nc1-c1ccccc1 ZINC000092047543 193147291 /nfs/dbraw/zinc/14/72/91/193147291.db2.gz IEFGCKOXIVEWKU-SFHVURJKSA-N 1 0 310.445 3.137 10 0 DGAERO CCCN(Cc1ccccc1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000079254151 283876592 /nfs/dbraw/zinc/87/65/92/283876592.db2.gz IABVILWGQZGTKH-MRXNPFEDSA-N 1 0 305.466 3.339 10 0 DGAERO C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc(F)c1 ZINC000080326691 283896094 /nfs/dbraw/zinc/89/60/94/283896094.db2.gz WVCOBQFOGQZRKJ-UHFFFAOYSA-N 1 0 302.349 3.018 10 0 DGAERO COC[C@H](O)C[NH+]1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC000451533647 241161458 /nfs/dbraw/zinc/16/14/58/241161458.db2.gz NCNAKAKOJABPLP-GOSISDBHSA-N 1 0 305.462 3.171 10 0 DGAERO Fc1ccc(OCC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000451621642 241189821 /nfs/dbraw/zinc/18/98/21/241189821.db2.gz XDEJNPXODSGJOO-MSOLQXFVSA-N 1 0 319.420 3.486 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246215945 432109274 /nfs/dbraw/zinc/10/92/74/432109274.db2.gz PRRMHPREJNYTDH-YJBOKZPZSA-N 1 0 318.436 3.091 10 0 DGAERO CC[C@H](C)C[C@@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000080504482 283898426 /nfs/dbraw/zinc/89/84/26/283898426.db2.gz REGAUWWUQVYOJN-BBWFWOEESA-N 1 0 309.498 3.471 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000171173010 432109701 /nfs/dbraw/zinc/10/97/01/432109701.db2.gz BSKRHUHLQQASDK-HNNXBMFYSA-N 1 0 319.449 3.247 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000171177859 432109988 /nfs/dbraw/zinc/10/99/88/432109988.db2.gz BTHWFJTYXYOTBK-CABCVRRESA-N 1 0 319.449 3.390 10 0 DGAERO C[C@](O)(C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000246232104 432110495 /nfs/dbraw/zinc/11/04/95/432110495.db2.gz UHWQZKROAFMZKY-PBHICJAKSA-N 1 0 302.443 3.230 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc2[nH]ccc21 ZINC000081564810 283921177 /nfs/dbraw/zinc/92/11/77/283921177.db2.gz FMPGYBWVJCDEFX-MRXNPFEDSA-N 1 0 321.424 3.071 10 0 DGAERO COC1([C@H](C)[NH2+]CCCOc2cccc(C)c2C)CCOCC1 ZINC000453232946 241681568 /nfs/dbraw/zinc/68/15/68/241681568.db2.gz XICJRBBXOMFWED-KRWDZBQOSA-N 1 0 321.461 3.246 10 0 DGAERO C[C@H](CCc1ccccc1F)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246253716 432111543 /nfs/dbraw/zinc/11/15/43/432111543.db2.gz XEDXGSPUJCFPIJ-WBVHZDCISA-N 1 0 318.436 3.091 10 0 DGAERO O=C(NCC1CCCCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000454313872 241919166 /nfs/dbraw/zinc/91/91/66/241919166.db2.gz YDFNJZHFUCRNME-UHFFFAOYSA-N 1 0 307.482 3.130 10 0 DGAERO O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCC12CCCC2 ZINC000454858968 242049482 /nfs/dbraw/zinc/04/94/82/242049482.db2.gz NHMGEIAJPWUDFV-INIZCTEOSA-N 1 0 307.482 3.275 10 0 DGAERO Cc1nocc1CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000293101451 223396362 /nfs/dbraw/zinc/39/63/62/223396362.db2.gz XTMFNNLIDHFVML-GOSISDBHSA-N 1 0 313.445 3.375 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2cccc(OC(C)C)c2)CC1 ZINC000455789702 242285370 /nfs/dbraw/zinc/28/53/70/242285370.db2.gz XWONERUFSOZJSY-UHFFFAOYSA-N 1 0 317.433 3.247 10 0 DGAERO C[NH+](C)CCCC(C)(C)NC(=O)Cc1ccc(Cl)c(F)c1 ZINC000456178110 242372373 /nfs/dbraw/zinc/37/23/73/242372373.db2.gz ZPVVTLLLVSUEII-UHFFFAOYSA-N 1 0 314.832 3.258 10 0 DGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000090938811 283996824 /nfs/dbraw/zinc/99/68/24/283996824.db2.gz YPRMMIVHWAAVJD-HZPDHXFCSA-N 1 0 321.424 3.444 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccc2Cl)C(C)C)C1 ZINC000091378178 284000864 /nfs/dbraw/zinc/00/08/64/284000864.db2.gz TVZOLMHXFGNEMA-CZUORRHYSA-N 1 0 323.868 3.431 10 0 DGAERO c1nc(C2CC2)sc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000092785856 284008706 /nfs/dbraw/zinc/00/87/06/284008706.db2.gz OOLWXBHVNMSTEZ-OAHLLOKOSA-N 1 0 305.491 3.471 10 0 DGAERO C[C@@H]([NH2+]CCc1ccco1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105783408 284041435 /nfs/dbraw/zinc/04/14/35/284041435.db2.gz QTMLVUQUHFTKNX-CABCVRRESA-N 1 0 322.449 3.447 10 0 DGAERO COc1ccncc1CNC(=O)N(Cc1ccccc1)C(C)C ZINC000458815994 243166314 /nfs/dbraw/zinc/16/63/14/243166314.db2.gz UFJXHERUULYFJW-UHFFFAOYSA-N 1 0 313.401 3.210 10 0 DGAERO Cc1cccc(-c2noc(C[N@H+](CCCO)CC(C)(C)C)n2)c1 ZINC000106934509 284051579 /nfs/dbraw/zinc/05/15/79/284051579.db2.gz WPZJWIACNSLQEO-UHFFFAOYSA-N 1 0 317.433 3.276 10 0 DGAERO CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000459033608 243231463 /nfs/dbraw/zinc/23/14/63/243231463.db2.gz CEZGFEKNLGKRBO-IJEWVQPXSA-N 1 0 321.465 3.275 10 0 DGAERO CCn1nncc1CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000459278719 243312915 /nfs/dbraw/zinc/31/29/15/243312915.db2.gz KKSKXTDWKPGMRF-MLGOLLRUSA-N 1 0 300.406 3.179 10 0 DGAERO [NH3+][C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000255189941 202909177 /nfs/dbraw/zinc/90/91/77/202909177.db2.gz TWRFESRTRMUIEG-UONOGXRCSA-N 1 0 322.408 3.405 10 0 DGAERO CCC[N@H+](Cc1cnnn1CC)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000459349631 243343611 /nfs/dbraw/zinc/34/36/11/243343611.db2.gz XWTGOZQDCKCNHP-DLBZAZTESA-N 1 0 320.481 3.248 10 0 DGAERO c1ccc([C@H]([NH2+]Cc2cnc(C3CC3)nc2)[C@@H]2CCOC2)cc1 ZINC000459464933 243381220 /nfs/dbraw/zinc/38/12/20/243381220.db2.gz NFIJPUMRRMVOIJ-MSOLQXFVSA-N 1 0 309.413 3.221 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](OC)C2)[C@H]1Sc1ccccc1 ZINC000459495745 243391936 /nfs/dbraw/zinc/39/19/36/243391936.db2.gz MVEXDSDBQRRMFG-KVDVXYDOSA-N 1 0 321.486 3.482 10 0 DGAERO Clc1ccccc1CC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109819728 284070039 /nfs/dbraw/zinc/07/00/39/284070039.db2.gz OYLJDHQZUNVMGF-KRWDZBQOSA-N 1 0 322.880 3.069 10 0 DGAERO C[C@H](CNC(=O)[C@H](C)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000112043372 284084526 /nfs/dbraw/zinc/08/45/26/284084526.db2.gz DJRAVSCFUQNJPW-IAGOWNOFSA-N 1 0 302.462 3.103 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000113229734 284100704 /nfs/dbraw/zinc/10/07/04/284100704.db2.gz HSPNLGGEWSTZKP-XJKSGUPXSA-N 1 0 320.864 3.313 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC(C)(C)c2ccccc2)CC1 ZINC000465815004 243867588 /nfs/dbraw/zinc/86/75/88/243867588.db2.gz NWBKSEVHKLOGAI-UHFFFAOYSA-N 1 0 317.477 3.343 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc(Cl)c1Cl ZINC000125498299 296130362 /nfs/dbraw/zinc/13/03/62/296130362.db2.gz CHBDSRINMXLFOG-IAQYHMDHSA-N 1 0 318.244 3.433 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(s1)CCCCC2 ZINC000113229198 284100518 /nfs/dbraw/zinc/10/05/18/284100518.db2.gz SSLZBQKZXNPZOO-UKRRQHHQSA-N 1 0 318.486 3.326 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc2ccccc2c1 ZINC000113616480 284103167 /nfs/dbraw/zinc/10/31/67/284103167.db2.gz BMPXBQDAOMUPHF-HNAYVOBHSA-N 1 0 323.440 3.218 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([C@H](C)OC)c2)C1 ZINC000246321957 432118681 /nfs/dbraw/zinc/11/86/81/432118681.db2.gz AOHOSNDEJDLFQY-LSDHHAIUSA-N 1 0 319.449 3.200 10 0 DGAERO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)s1 ZINC000468893362 244072009 /nfs/dbraw/zinc/07/20/09/244072009.db2.gz GATAGNZLCDVVJU-ZIAGYGMSSA-N 1 0 313.488 3.210 10 0 DGAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000468900042 244073123 /nfs/dbraw/zinc/07/31/23/244073123.db2.gz JARMWAMYAPCOSM-BWTSREIZSA-N 1 0 314.473 3.321 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246331927 432119504 /nfs/dbraw/zinc/11/95/04/432119504.db2.gz BNKUFQFJXHCLDR-FPCVCCKLSA-N 1 0 309.498 3.325 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N(C)c2ccc(F)cc2)CC1 ZINC000469023763 244079282 /nfs/dbraw/zinc/07/92/82/244079282.db2.gz OXWGTFBAPSLXAD-UHFFFAOYSA-N 1 0 321.440 3.436 10 0 DGAERO COc1cccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000470940322 244195309 /nfs/dbraw/zinc/19/53/09/244195309.db2.gz MQRFALNTMVKVBN-RISCZKNCSA-N 1 0 303.324 3.347 10 0 DGAERO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470950738 244197077 /nfs/dbraw/zinc/19/70/77/244197077.db2.gz VJSDQGYAEZWEQO-BFHYXJOUSA-N 1 0 317.351 3.007 10 0 DGAERO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1C[C@@H]1C ZINC000471604709 244221511 /nfs/dbraw/zinc/22/15/11/244221511.db2.gz KEPZINICXRVNBR-RRFJBIMHSA-N 1 0 314.429 3.087 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](O)COCC1CC1 ZINC000118991338 284131554 /nfs/dbraw/zinc/13/15/54/284131554.db2.gz APDWZGQQSLSMJM-OLXGIWCBSA-N 1 0 309.837 3.120 10 0 DGAERO CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)C1CCCCC1 ZINC000119085369 284133880 /nfs/dbraw/zinc/13/38/80/284133880.db2.gz HCYFIHNNEIUXCS-UHFFFAOYSA-N 1 0 309.498 3.471 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NC3CCC(C)(C)CC3)CC[C@@H]21 ZINC000119110059 284134593 /nfs/dbraw/zinc/13/45/93/284134593.db2.gz IAMMIHHBBGMELT-HOCLYGCPSA-N 1 0 307.482 3.081 10 0 DGAERO Cc1cc([C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)ccc1F ZINC000262410507 203286876 /nfs/dbraw/zinc/28/68/76/203286876.db2.gz SJWQOWXZNFFBMJ-YLQAJVPDSA-N 1 0 304.409 3.090 10 0 DGAERO Cc1cc([C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)ccc1F ZINC000262410505 203286995 /nfs/dbraw/zinc/28/69/95/203286995.db2.gz SJWQOWXZNFFBMJ-NUTKFTJISA-N 1 0 304.409 3.090 10 0 DGAERO CC(C)[C@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181278149 432120328 /nfs/dbraw/zinc/12/03/28/432120328.db2.gz NBNVQIBCLWALCK-JTQLQIEISA-N 1 0 323.238 3.368 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000093371743 193240823 /nfs/dbraw/zinc/24/08/23/193240823.db2.gz OODYJVRRKNZEEP-GFCCVEGCSA-N 1 0 318.490 3.266 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c(C)nn1C ZINC000093437833 193251495 /nfs/dbraw/zinc/25/14/95/193251495.db2.gz SMGRAPSNLCMMSJ-IBGZPJMESA-N 1 0 313.445 3.291 10 0 DGAERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc(Cl)c1OC ZINC000093437439 193252001 /nfs/dbraw/zinc/25/20/01/193252001.db2.gz HTPOBDUNCXWTSS-GXTWGEPZSA-N 1 0 324.852 3.026 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000120310343 284165615 /nfs/dbraw/zinc/16/56/15/284165615.db2.gz FKORLIUCKXMUPY-PBHICJAKSA-N 1 0 321.440 3.006 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000093455473 193253733 /nfs/dbraw/zinc/25/37/33/193253733.db2.gz ILQRAIPAQDKUAJ-AIADIJKESA-N 1 0 309.409 3.300 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CCN1C ZINC000093644378 193280594 /nfs/dbraw/zinc/28/05/94/193280594.db2.gz UHOACUQWNWMOFW-ZFWWWQNUSA-N 1 0 316.424 3.130 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093693978 193291460 /nfs/dbraw/zinc/29/14/60/193291460.db2.gz CMWIOENRWINRJW-INIZCTEOSA-N 1 0 312.461 3.240 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)c(Cl)cc1F ZINC000120503936 284171266 /nfs/dbraw/zinc/17/12/66/284171266.db2.gz YTZVONYOLQZNSP-JTQLQIEISA-N 1 0 318.795 3.324 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cccc(OC)c1OC ZINC000093764577 193302149 /nfs/dbraw/zinc/30/21/49/193302149.db2.gz SUHXRBAXQUWLQF-UHFFFAOYSA-N 1 0 306.431 3.225 10 0 DGAERO CN(CC(=O)NC(C)(C)C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000120671726 284175213 /nfs/dbraw/zinc/17/52/13/284175213.db2.gz KVMPXHUNWSEFJP-UHFFFAOYSA-N 1 0 320.330 3.191 10 0 DGAERO CC[C@@H]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000120779722 284178162 /nfs/dbraw/zinc/17/81/62/284178162.db2.gz QFQQPWRTWTVZTN-RDHHWEPZSA-N 1 0 309.498 3.375 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C)sc2C)nc1 ZINC000094760378 193395191 /nfs/dbraw/zinc/39/51/91/193395191.db2.gz WHQHNWOUJUPPRD-NSHDSACASA-N 1 0 304.415 3.397 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)nc1 ZINC000094760390 193395285 /nfs/dbraw/zinc/39/52/85/193395285.db2.gz SHQYREBWLVKQKL-NSHDSACASA-N 1 0 304.777 3.372 10 0 DGAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(C)cc1 ZINC000246338887 432121391 /nfs/dbraw/zinc/12/13/91/432121391.db2.gz BPCHJOXUVQCPTJ-ROUUACIJSA-N 1 0 315.461 3.326 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121128176 284188948 /nfs/dbraw/zinc/18/89/48/284188948.db2.gz DGCNJAHQSZEAFW-MJGOQNOKSA-N 1 0 302.462 3.090 10 0 DGAERO CCc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246347192 432121513 /nfs/dbraw/zinc/12/15/13/432121513.db2.gz NQUYGJITBGCLNX-WFASDCNBSA-N 1 0 307.413 3.335 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@H](C)O1 ZINC000282406243 216971091 /nfs/dbraw/zinc/97/10/91/216971091.db2.gz YUQDBFUQCQNVOB-ALXJQNPVSA-N 1 0 313.445 3.225 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)NCc2ccccc2Cl)CC1 ZINC000121995961 284210665 /nfs/dbraw/zinc/21/06/65/284210665.db2.gz NSJLTEMTGSTUBV-UHFFFAOYSA-N 1 0 323.868 3.260 10 0 DGAERO CC[C@@H](C[NH2+]Cc1c(Br)cnn1C)c1ccccc1 ZINC000486962997 245005462 /nfs/dbraw/zinc/00/54/62/245005462.db2.gz FWBVDXBACQYAJF-LBPRGKRZSA-N 1 0 322.250 3.466 10 0 DGAERO Cc1ccccc1-c1nc(CN(C[C@@H]2CCOC2)C2CC2)no1 ZINC000122897852 284228005 /nfs/dbraw/zinc/22/80/05/284228005.db2.gz NGBJHJWQEHNVIM-AWEZNQCLSA-N 1 0 313.401 3.046 10 0 DGAERO Cc1cccc(C)c1OCCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123408704 284238024 /nfs/dbraw/zinc/23/80/24/284238024.db2.gz KDWXSDRXSZMKTI-MSOLQXFVSA-N 1 0 304.478 3.487 10 0 DGAERO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000488748545 245229645 /nfs/dbraw/zinc/22/96/45/245229645.db2.gz CAADMJYXPZXORB-QFBILLFUSA-N 1 0 311.425 3.468 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([C@@H](C)O)CC2)c1C ZINC000264714261 204096108 /nfs/dbraw/zinc/09/61/08/204096108.db2.gz LQEMNSJBHZYJKX-OAHLLOKOSA-N 1 0 303.446 3.407 10 0 DGAERO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCCCC[NH+](C)C ZINC000490040705 245375896 /nfs/dbraw/zinc/37/58/96/245375896.db2.gz DUMLZHPIWWDYSR-CVEARBPZSA-N 1 0 302.462 3.434 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000124830671 284265137 /nfs/dbraw/zinc/26/51/37/284265137.db2.gz KKQUXFKEKNUPNX-QZTJIDSGSA-N 1 0 317.477 3.162 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000124829970 284265143 /nfs/dbraw/zinc/26/51/43/284265143.db2.gz KKQUXFKEKNUPNX-ROUUACIJSA-N 1 0 317.477 3.162 10 0 DGAERO CCC(CC)[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000124960190 284266877 /nfs/dbraw/zinc/26/68/77/284266877.db2.gz UBZNMLYINKFOTD-KRWDZBQOSA-N 1 0 303.450 3.297 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000125092809 284269916 /nfs/dbraw/zinc/26/99/16/284269916.db2.gz WERJHGWDAFGMFO-ODZFXCKXSA-N 1 0 307.482 3.081 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2F)C1 ZINC000125258207 284272146 /nfs/dbraw/zinc/27/21/46/284272146.db2.gz VSXRKQVGCRJANW-HNNXBMFYSA-N 1 0 320.452 3.340 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]2C2CCC2)CC1 ZINC000125203282 284271241 /nfs/dbraw/zinc/27/12/41/284271241.db2.gz QGEQFSWKIXCQCT-BDVYOWHSSA-N 1 0 307.482 3.081 10 0 DGAERO c1csc(-c2nc(CN3CC[N@@H+]4CCC[C@H]4C3)cs2)c1 ZINC000246385539 432124611 /nfs/dbraw/zinc/12/46/11/432124611.db2.gz OXTLLCNAQATYCT-ZDUSSCGKSA-N 1 0 305.472 3.152 10 0 DGAERO C[C@H]1CCC[C@H](C)N(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125442927 284276096 /nfs/dbraw/zinc/27/60/96/284276096.db2.gz OKEICXNQWHRGNZ-JUVOFCAFSA-N 1 0 309.498 3.327 10 0 DGAERO c1csc(-c2nc(CN3CC[NH+](C4CC4)CC3)cs2)c1 ZINC000126073740 284292473 /nfs/dbraw/zinc/29/24/73/284292473.db2.gz CKXHWIMCVULOFB-UHFFFAOYSA-N 1 0 305.472 3.152 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)NCCC1=CCCC1)c1cccs1 ZINC000126082451 284292910 /nfs/dbraw/zinc/29/29/10/284292910.db2.gz NEAGYONCTYENQX-AWEZNQCLSA-N 1 0 307.463 3.150 10 0 DGAERO CCCC[C@H](C[NH3+])Nc1ccnc2cc(Br)cnc21 ZINC000135533028 432125121 /nfs/dbraw/zinc/12/51/21/432125121.db2.gz KMJJVFUPIFUKNQ-LLVKDONJSA-N 1 0 323.238 3.322 10 0 DGAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000282485591 217031685 /nfs/dbraw/zinc/03/16/85/217031685.db2.gz VRCGCDSNCZTHSV-KXBFYZLASA-N 1 0 324.424 3.022 10 0 DGAERO CC[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1CC)c1nccs1 ZINC000126559834 284308812 /nfs/dbraw/zinc/30/88/12/284308812.db2.gz SXGZJRQZPZCVGM-KBPBESRZSA-N 1 0 324.494 3.158 10 0 DGAERO Cc1nc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)oc1C ZINC000274816083 211955851 /nfs/dbraw/zinc/95/58/51/211955851.db2.gz IYFRXAUWLZGUCS-KBXCAEBGSA-N 1 0 313.445 3.292 10 0 DGAERO COc1cccc(C[NH2+][C@H]2CSC2(C)C)c1OC(F)F ZINC000282583937 217105976 /nfs/dbraw/zinc/10/59/76/217105976.db2.gz BRZZKUHOYQRABZ-NSHDSACASA-N 1 0 303.374 3.280 10 0 DGAERO CC[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000126607500 284311027 /nfs/dbraw/zinc/31/10/27/284311027.db2.gz WKWIAPOVNRPAQO-DOTOQJQBSA-N 1 0 318.461 3.179 10 0 DGAERO C[C@H](C(=O)NC[C@@H]1C[C@H]1c1ccccc1)[NH+]1CCCCCC1 ZINC000246394242 432126336 /nfs/dbraw/zinc/12/63/36/432126336.db2.gz PQJNMZBUAWTQKK-NJAFHUGGSA-N 1 0 300.446 3.171 10 0 DGAERO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246399018 432126972 /nfs/dbraw/zinc/12/69/72/432126972.db2.gz RKANPPHQPGBKHI-JZXOWHBKSA-N 1 0 317.477 3.304 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127478541 284341376 /nfs/dbraw/zinc/34/13/76/284341376.db2.gz IJTAOCJDFFFABO-BXUZGUMPSA-N 1 0 316.214 3.229 10 0 DGAERO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127478333 284341463 /nfs/dbraw/zinc/34/14/63/284341463.db2.gz IJTAOCJDFFFABO-SMDDNHRTSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000246400166 432127661 /nfs/dbraw/zinc/12/76/61/432127661.db2.gz JRDBRRZHHHVNNL-BBRMVZONSA-N 1 0 321.852 3.281 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@]3(CC=CCC3)C2)C[N@@H+]1C1CC1 ZINC000127687952 284348699 /nfs/dbraw/zinc/34/86/99/284348699.db2.gz IFBMQYALFPWZMU-MDZRGWNJSA-N 1 0 317.477 3.144 10 0 DGAERO CCOc1c(Cl)cc(CN2CC[NH+](C3CC3)CC2)cc1OC ZINC000127888161 284356468 /nfs/dbraw/zinc/35/64/68/284356468.db2.gz WJDLIEUNSQPTRN-UHFFFAOYSA-N 1 0 324.852 3.027 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc2c(c1)CCO2 ZINC000246425828 432128948 /nfs/dbraw/zinc/12/89/48/432128948.db2.gz NNKBRWDYZUAGPN-OWQGQXMQSA-N 1 0 319.470 3.327 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(CC)c(CC)o2)C1 ZINC000128681978 284383420 /nfs/dbraw/zinc/38/34/20/284383420.db2.gz PPQFLQSHKBJCIH-CQSZACIVSA-N 1 0 306.450 3.208 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(CC)c(CC)o2)C1 ZINC000128681738 284383546 /nfs/dbraw/zinc/38/35/46/284383546.db2.gz PPQFLQSHKBJCIH-AWEZNQCLSA-N 1 0 306.450 3.208 10 0 DGAERO CC[C@H](CC(=O)N1CCC([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000128741245 284385458 /nfs/dbraw/zinc/38/54/58/284385458.db2.gz GLZQTQAXEQKYOP-OAHLLOKOSA-N 1 0 318.461 3.132 10 0 DGAERO COc1cc(C[NH2+][C@H]2CCCCC[C@H]2O)cc(Cl)c1OC ZINC000135631232 432129931 /nfs/dbraw/zinc/12/99/31/432129931.db2.gz IFEGMTDQAXJVTN-UONOGXRCSA-N 1 0 313.825 3.140 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1c(F)cccc1Cl ZINC000128936842 284391823 /nfs/dbraw/zinc/39/18/23/284391823.db2.gz JTKIKVRDZJHYEI-NSHDSACASA-N 1 0 300.805 3.185 10 0 DGAERO CCCCN(C)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000019393940 182121092 /nfs/dbraw/zinc/12/10/92/182121092.db2.gz WSXMVYBZMDSZQR-ZDUSSCGKSA-N 1 0 303.219 3.320 10 0 DGAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000019436125 182123002 /nfs/dbraw/zinc/12/30/02/182123002.db2.gz XSBJDLJTQQMLNG-ZOWXZIJZSA-N 1 0 311.267 3.427 10 0 DGAERO NC(=[NH2+])c1cccc(COc2ccc(F)cc2Br)c1 ZINC000019476198 182124311 /nfs/dbraw/zinc/12/43/11/182124311.db2.gz JIVJHFVGAFWJIQ-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)NCCC1=CCCC1)c1ccco1 ZINC000129337400 284405987 /nfs/dbraw/zinc/40/59/87/284405987.db2.gz IOBPENPVVQXQFN-INIZCTEOSA-N 1 0 319.449 3.462 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2CCSc2ccccc2F)cn1 ZINC000171413015 432131709 /nfs/dbraw/zinc/13/17/09/432131709.db2.gz JLLPLJZNNSYANH-HNNXBMFYSA-N 1 0 305.422 3.488 10 0 DGAERO CC(C)C[C@H](C)OCCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129641496 284418631 /nfs/dbraw/zinc/41/86/31/284418631.db2.gz DNEBPIAVZWWXQF-GTPINHCMSA-N 1 0 312.498 3.064 10 0 DGAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1N)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020012999 182177876 /nfs/dbraw/zinc/17/78/76/182177876.db2.gz MWVCGQPHSMJTPN-UTUOFQBUSA-N 1 0 309.841 3.227 10 0 DGAERO Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000020032952 182182417 /nfs/dbraw/zinc/18/24/17/182182417.db2.gz VQIIBSOTMITMPG-NSHDSACASA-N 1 0 311.223 3.004 10 0 DGAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(SC(F)(F)F)cc2)CCO1 ZINC000020010086 182176797 /nfs/dbraw/zinc/17/67/97/182176797.db2.gz ZHDAIMVYCHDLBK-GWCFXTLKSA-N 1 0 320.380 3.019 10 0 DGAERO CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1nnc(C2CCC2)n1C ZINC000181507520 432131928 /nfs/dbraw/zinc/13/19/28/432131928.db2.gz DRPJIZJIPWUYOC-LSDHHAIUSA-N 1 0 320.481 3.108 10 0 DGAERO [NH3+]CCCNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000020321157 182206273 /nfs/dbraw/zinc/20/62/73/182206273.db2.gz MTXVNXUUAGFGCH-UHFFFAOYSA-N 1 0 302.378 3.258 10 0 DGAERO COc1ccc(CN(C)[C@@H](C[NH3+])c2cccc(Cl)c2)cc1 ZINC000020225970 182198829 /nfs/dbraw/zinc/19/88/29/182198829.db2.gz DEVOFWFAGVJCRL-KRWDZBQOSA-N 1 0 304.821 3.480 10 0 DGAERO O=C(CC[NH2+]Cc1ccc(Cl)cc1Cl)N1CCCC1 ZINC000021797865 182289638 /nfs/dbraw/zinc/28/96/38/182289638.db2.gz FZPVALYHBBKIIH-UHFFFAOYSA-N 1 0 301.217 3.096 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)[C@H](C)C1 ZINC000246469944 432134484 /nfs/dbraw/zinc/13/44/84/432134484.db2.gz PVPIFYJXIMMJIU-UTSKFRMZSA-N 1 0 309.498 3.183 10 0 DGAERO CN([C@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000022210697 182313389 /nfs/dbraw/zinc/31/33/89/182313389.db2.gz REOCPOGYHNGHJV-LLVKDONJSA-N 1 0 301.228 3.306 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1F)c1ccco1 ZINC000246459495 432134587 /nfs/dbraw/zinc/13/45/87/432134587.db2.gz FQVZDSVJPZHIDO-IAOVAPTHSA-N 1 0 319.376 3.040 10 0 DGAERO c1ccc(N2CC[C@H]([N@H+]3CCc4[nH]nc(C5CCC5)c4C3)C2)cc1 ZINC000023542389 182363279 /nfs/dbraw/zinc/36/32/79/182363279.db2.gz YAGXNOSBQGZUAB-KRWDZBQOSA-N 1 0 322.456 3.314 10 0 DGAERO c1ccc(N2CC[C@@H]([N@H+]3CCc4[nH]nc(C5CCC5)c4C3)C2)cc1 ZINC000023542383 182363320 /nfs/dbraw/zinc/36/33/20/182363320.db2.gz YAGXNOSBQGZUAB-QGZVFWFLSA-N 1 0 322.456 3.314 10 0 DGAERO C[C@@H](C[N@@H+]1CCCCC[C@H]1c1ccccc1)CS(C)(=O)=O ZINC000246484381 432135481 /nfs/dbraw/zinc/13/54/81/432135481.db2.gz HXEMVLNUHBPFEV-RDJZCZTQSA-N 1 0 309.475 3.284 10 0 DGAERO CCc1cc(C)c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)o1 ZINC000135654517 284486048 /nfs/dbraw/zinc/48/60/48/284486048.db2.gz XZPSBKHHQIDACW-QGZVFWFLSA-N 1 0 314.429 3.492 10 0 DGAERO c1cc(-c2noc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)n2)co1 ZINC000181557657 432136161 /nfs/dbraw/zinc/13/61/61/432136161.db2.gz SKTRZPIOBYYXBC-INIZCTEOSA-N 1 0 309.369 3.441 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246514243 432140592 /nfs/dbraw/zinc/14/05/92/432140592.db2.gz OCEVBTUKRKSUHL-OWSLCNJRSA-N 1 0 304.478 3.288 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc3scnc3c2)C1 ZINC000246543207 432141420 /nfs/dbraw/zinc/14/14/20/432141420.db2.gz VREXRZWQIKNDFP-SMDDNHRTSA-N 1 0 318.446 3.147 10 0 DGAERO Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000181658943 432142500 /nfs/dbraw/zinc/14/25/00/432142500.db2.gz HMCBVIDLXUIMDS-HOCLYGCPSA-N 1 0 315.461 3.081 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)ccc2F)C1 ZINC000246561924 432142999 /nfs/dbraw/zinc/14/29/99/432142999.db2.gz HHRJVFCIPIKWGM-XHDPSFHLSA-N 1 0 310.800 3.035 10 0 DGAERO CCOc1cc(Cl)c(C(=O)[C@H]2CCC[NH2+]C2)cc1OCC ZINC000036926290 182853229 /nfs/dbraw/zinc/85/32/29/182853229.db2.gz FHRHHSBBAWUXQR-NSHDSACASA-N 1 0 311.809 3.320 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cc2ccccc2s1 ZINC000171547862 432143466 /nfs/dbraw/zinc/14/34/66/432143466.db2.gz VEXCORYNIAYUEN-OCCSQVGLSA-N 1 0 317.458 3.356 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000246564936 432143740 /nfs/dbraw/zinc/14/37/40/432143740.db2.gz XANCKMASBGJWHL-MLGOLLRUSA-N 1 0 300.406 3.018 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]Cc2cncc(C)c2)cc1NC(C)=O ZINC000181839118 432147191 /nfs/dbraw/zinc/14/71/91/432147191.db2.gz QJMOOQVFLHUSTJ-CYBMUJFWSA-N 1 0 313.401 3.208 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000246590769 432147679 /nfs/dbraw/zinc/14/76/79/432147679.db2.gz GQJVCBSYEFMULT-QWRGUYRKSA-N 1 0 321.412 3.324 10 0 DGAERO O=C(c1cc(C2CC2)nc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171585031 432147737 /nfs/dbraw/zinc/14/77/37/432147737.db2.gz HFKMHWVXZGTRRR-OAHLLOKOSA-N 1 0 321.424 3.032 10 0 DGAERO O=C(CCCc1cccs1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917196 182936554 /nfs/dbraw/zinc/93/65/54/182936554.db2.gz ALPCWGAIZGZURG-ZBFHGGJFSA-N 1 0 306.475 3.061 10 0 DGAERO Cn1cncc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246614255 432148400 /nfs/dbraw/zinc/14/84/00/432148400.db2.gz YHXOCWUPRSSKHE-GDBMZVCRSA-N 1 0 319.474 3.350 10 0 DGAERO CCCC[C@@H]([NH2+]CCc1ccsc1)C(=O)Nc1cc(C)on1 ZINC000152947332 284649416 /nfs/dbraw/zinc/64/94/16/284649416.db2.gz DCBFMZTZCPJAOJ-CQSZACIVSA-N 1 0 321.446 3.374 10 0 DGAERO [NH3+]CCCN1CCc2nc(-c3ccc(Cl)cc3)sc2C1 ZINC000041583283 183206848 /nfs/dbraw/zinc/20/68/48/183206848.db2.gz FHGNARXSQRKIKF-UHFFFAOYSA-N 1 0 307.850 3.170 10 0 DGAERO Fc1cccc(-c2cnc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)o2)c1 ZINC000246634093 432149919 /nfs/dbraw/zinc/14/99/19/432149919.db2.gz KNIXIQMZOMOBHC-GOEBONIOSA-N 1 0 316.376 3.482 10 0 DGAERO CCN(CC[NH2+]C(C)C)Cc1cc(Br)ccc1F ZINC000042387041 183262378 /nfs/dbraw/zinc/26/23/78/183262378.db2.gz XOWLDTQRUATJDQ-UHFFFAOYSA-N 1 0 317.246 3.408 10 0 DGAERO CN(Cc1cc(Br)cs1)c1cc(C[NH3+])ccn1 ZINC000042397888 183263524 /nfs/dbraw/zinc/26/35/24/183263524.db2.gz JFNIZIWNUKNSPK-UHFFFAOYSA-N 1 0 312.236 3.001 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)n1cc(Br)cn1 ZINC000042915959 183318585 /nfs/dbraw/zinc/31/85/85/183318585.db2.gz CCASSYLUFVSREN-STQMWFEESA-N 1 0 312.186 3.111 10 0 DGAERO CC[C@@H]([NH3+])[C@H](SCCC(=O)OC)c1ccc(Cl)cc1 ZINC000042951111 183320344 /nfs/dbraw/zinc/32/03/44/183320344.db2.gz UMIRYCVGOPFNMR-TZMCWYRMSA-N 1 0 301.839 3.415 10 0 DGAERO [NH3+]C[C@@H](OC[C@H]1CCCCO1)c1cccc(Br)c1 ZINC000043023069 183330800 /nfs/dbraw/zinc/33/08/00/183330800.db2.gz QUIPSSBJDKIMAJ-ZIAGYGMSSA-N 1 0 314.223 3.035 10 0 DGAERO CCOCCO[C@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043022855 183330880 /nfs/dbraw/zinc/33/08/80/183330880.db2.gz SZHIXFUVHMVWOI-ZIAGYGMSSA-N 1 0 316.239 3.281 10 0 DGAERO C[C@@H]([NH3+])[C@H](Sc1ncccn1)c1cccc(Br)c1 ZINC000043024636 183331322 /nfs/dbraw/zinc/33/13/22/183331322.db2.gz XFROQXSHUJCWJY-SKDRFNHKSA-N 1 0 324.247 3.420 10 0 DGAERO [NH3+]C[C@@H](Sc1ncccn1)c1cccc(Br)c1 ZINC000043024629 183331483 /nfs/dbraw/zinc/33/14/83/183331483.db2.gz UNMRYFZCWDMLHY-LLVKDONJSA-N 1 0 310.220 3.031 10 0 DGAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)n1cc(Br)cn1 ZINC000043053278 183332542 /nfs/dbraw/zinc/33/25/42/183332542.db2.gz QKBBEEKALNLFQS-PELKAZGASA-N 1 0 314.614 3.236 10 0 DGAERO [NH3+]C[C@H](OCCc1ccccn1)c1ccccc1Br ZINC000043095176 183337422 /nfs/dbraw/zinc/33/74/22/183337422.db2.gz URAZWVINLWBVEO-HNNXBMFYSA-N 1 0 321.218 3.103 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](SCCC(=O)OC)c1ccccc1Cl ZINC000043089889 183335385 /nfs/dbraw/zinc/33/53/85/183335385.db2.gz HSCIHLUSBLLOQC-OCCSQVGLSA-N 1 0 301.839 3.415 10 0 DGAERO [NH3+]CCN(Cc1sccc1Br)C1CCCC1 ZINC000043675813 183379401 /nfs/dbraw/zinc/37/94/01/183379401.db2.gz KICCVJBOWIDGBY-UHFFFAOYSA-N 1 0 303.269 3.214 10 0 DGAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284402127 218012267 /nfs/dbraw/zinc/01/22/67/218012267.db2.gz PUSKSAUZZRQCTN-HNNXBMFYSA-N 1 0 313.445 3.469 10 0 DGAERO COC(=O)c1cc(F)ccc1C[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000104684945 194025544 /nfs/dbraw/zinc/02/55/44/194025544.db2.gz LEHUDTHHFFBALL-CYBMUJFWSA-N 1 0 323.408 3.128 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccccc1OC(F)(F)F ZINC000179916443 284737379 /nfs/dbraw/zinc/73/73/79/284737379.db2.gz NWXLYGZELRDSMY-LLVKDONJSA-N 1 0 318.339 3.045 10 0 DGAERO O=C(Nc1cc(F)ccc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105036287 194065762 /nfs/dbraw/zinc/06/57/62/194065762.db2.gz GUDMPHKXWSTSJN-LBPRGKRZSA-N 1 0 311.788 3.181 10 0 DGAERO CC1(C)Cc2cc(C[NH2+]C[C@@H](O)Cc3ccccc3)ccc2O1 ZINC000105492878 194106677 /nfs/dbraw/zinc/10/66/77/194106677.db2.gz GZWQHSSGPKMCDL-SFHVURJKSA-N 1 0 311.425 3.093 10 0 DGAERO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC(C)(C)O1)c1ccccc1 ZINC000189607521 284755013 /nfs/dbraw/zinc/75/50/13/284755013.db2.gz YEDOWBLJQHQTEY-DLBZAZTESA-N 1 0 318.461 3.143 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1F ZINC000105802347 194131863 /nfs/dbraw/zinc/13/18/63/194131863.db2.gz DOLQBZUVTARRMZ-OCCSQVGLSA-N 1 0 318.371 3.074 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000105806299 194133987 /nfs/dbraw/zinc/13/39/87/194133987.db2.gz XRBMEJFAVVRJAK-UHFFFAOYSA-N 1 0 316.836 3.231 10 0 DGAERO CC[C@H](c1ccccc1)[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864864 194149309 /nfs/dbraw/zinc/14/93/09/194149309.db2.gz AIPZLCSBFICLOB-RHSMWYFYSA-N 1 0 314.433 3.208 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(F)c1)CC2 ZINC000105874333 194153606 /nfs/dbraw/zinc/15/36/06/194153606.db2.gz HVFZBUSZOMHGCG-IUODEOHRSA-N 1 0 302.397 3.206 10 0 DGAERO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884396 194157424 /nfs/dbraw/zinc/15/74/24/194157424.db2.gz KGEBKLPIFKTQLJ-STQMWFEESA-N 1 0 306.360 3.030 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)c1 ZINC000105900779 194165438 /nfs/dbraw/zinc/16/54/38/194165438.db2.gz GKTKTVMSVGOEHH-IBGZPJMESA-N 1 0 321.428 3.214 10 0 DGAERO CC(C)c1cc(C(=O)N2CC[NH+]3CCC2CC3)c2ccccc2n1 ZINC000188850873 284768820 /nfs/dbraw/zinc/76/88/20/284768820.db2.gz XNPQLWGDSHJMKH-UHFFFAOYSA-N 1 0 323.440 3.278 10 0 DGAERO C[N@H+](Cc1ccccc1Cl)[C@H]1CCCN(c2cccnn2)C1 ZINC000106079796 194184178 /nfs/dbraw/zinc/18/41/78/194184178.db2.gz YPSSTQQYCAEVCK-HNNXBMFYSA-N 1 0 316.836 3.231 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1C(C)C)CC(C)C ZINC000193683622 284773076 /nfs/dbraw/zinc/77/30/76/284773076.db2.gz YQGYJMTUYDMVDS-CQSZACIVSA-N 1 0 308.470 3.019 10 0 DGAERO CCOc1ccc(NC(=O)NC[C@H](C)[NH+](CC)CC)c(C)c1 ZINC000048143596 183623195 /nfs/dbraw/zinc/62/31/95/183623195.db2.gz XTSMFLGEZWNCON-AWEZNQCLSA-N 1 0 307.438 3.246 10 0 DGAERO C[C@]1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CCCO1 ZINC000273786343 211057163 /nfs/dbraw/zinc/05/71/63/211057163.db2.gz ULXIIZSQDFFINB-GOSISDBHSA-N 1 0 313.401 3.358 10 0 DGAERO Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c(C)c1 ZINC000106457157 194217871 /nfs/dbraw/zinc/21/78/71/194217871.db2.gz RPSDHGVIJJZAHQ-LJQANCHMSA-N 1 0 310.441 3.093 10 0 DGAERO CCN(c1ccc(C(=O)NC[C@H](C)[NH+](CC)CC)cc1)C(C)C ZINC000109840041 194291356 /nfs/dbraw/zinc/29/13/56/194291356.db2.gz FFBJXOSJSWWHMN-INIZCTEOSA-N 1 0 319.493 3.381 10 0 DGAERO O=C(c1scnc1C1CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000089804031 296312069 /nfs/dbraw/zinc/31/20/69/296312069.db2.gz VFPLYMQSSGXNTE-AWEZNQCLSA-N 1 0 319.474 3.111 10 0 DGAERO c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccnc(C4CC4)n3)C2)cc1 ZINC000110199811 194316484 /nfs/dbraw/zinc/31/64/84/194316484.db2.gz KCLKZRBLVCCFRC-QGZVFWFLSA-N 1 0 308.429 3.431 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000055928170 184001164 /nfs/dbraw/zinc/00/11/64/184001164.db2.gz NFJUJNDELPQKCR-INIZCTEOSA-N 1 0 302.418 3.288 10 0 DGAERO C[C@H]1CN(CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCO1 ZINC000246223181 284877482 /nfs/dbraw/zinc/87/74/82/284877482.db2.gz ZSBVTAMJQAAFCE-GUYCJALGSA-N 1 0 308.853 3.101 10 0 DGAERO CC(C)Oc1cccc(C[NH2+]CCCOc2ccccn2)c1 ZINC000057353403 184035327 /nfs/dbraw/zinc/03/53/27/184035327.db2.gz UKYRXFIQHZUOOW-UHFFFAOYSA-N 1 0 300.402 3.428 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000246281208 284881660 /nfs/dbraw/zinc/88/16/60/284881660.db2.gz BODRUJKTJCRSSM-UPJWGTAASA-N 1 0 308.388 3.058 10 0 DGAERO CCOC(=O)CCC[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000057620968 184042806 /nfs/dbraw/zinc/04/28/06/184042806.db2.gz VMFZLXVFIWYQES-INIZCTEOSA-N 1 0 321.417 3.184 10 0 DGAERO CC(C)c1ccc(CCC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000058863286 184130285 /nfs/dbraw/zinc/13/02/85/184130285.db2.gz SOVYFJJIZVATGG-UHFFFAOYSA-N 1 0 302.462 3.295 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CCCCC2)C1 ZINC000059992134 184143633 /nfs/dbraw/zinc/14/36/33/184143633.db2.gz CZGKVYQVZMOKBT-HUUCEWRRSA-N 1 0 309.498 3.375 10 0 DGAERO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)c1ccoc1 ZINC000246474377 284900337 /nfs/dbraw/zinc/90/03/37/284900337.db2.gz QTKSLQFVXOUMAR-IJEWVQPXSA-N 1 0 320.458 3.454 10 0 DGAERO CN(Cc1cccc(Cl)c1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611939 184178777 /nfs/dbraw/zinc/17/87/77/184178777.db2.gz UEWPIASRBTWIDI-MRXNPFEDSA-N 1 0 302.805 3.041 10 0 DGAERO COCCOc1ccc(C[NH2+]C(C)(C)C)cc1Br ZINC000062727909 184250904 /nfs/dbraw/zinc/25/09/04/184250904.db2.gz FRLXMSUDJBEGCL-UHFFFAOYSA-N 1 0 316.239 3.362 10 0 DGAERO [NH3+][C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000062838130 184255476 /nfs/dbraw/zinc/25/54/76/184255476.db2.gz DVYRGPJEAXFKSC-AWEZNQCLSA-N 1 0 309.196 3.423 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccoc1 ZINC000246828022 284924012 /nfs/dbraw/zinc/92/40/12/284924012.db2.gz BNFRTWXSGSCQRT-RBSFLKMASA-N 1 0 315.417 3.139 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247118639 284944688 /nfs/dbraw/zinc/94/46/88/284944688.db2.gz ROVYJUOJTGDFCV-ARFHVFGLSA-N 1 0 303.450 3.228 10 0 DGAERO C[NH+](C)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000082348931 252588891 /nfs/dbraw/zinc/58/88/91/252588891.db2.gz VVVKQCAYEUGATD-UHFFFAOYSA-N 1 0 322.452 3.371 10 0 DGAERO CC[N@@H+]1CC[C@@H]([NH+](C)CCCOCc2ccccc2)[C@@H](C)C1 ZINC000248606806 285010360 /nfs/dbraw/zinc/01/03/60/285010360.db2.gz WJMYSNKKGGGSFE-PKOBYXMFSA-N 1 0 304.478 3.255 10 0 DGAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000248652372 285014381 /nfs/dbraw/zinc/01/43/81/285014381.db2.gz NWFMTUXOSWIIKP-ZIAGYGMSSA-N 1 0 322.474 3.467 10 0 DGAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000248652371 285014604 /nfs/dbraw/zinc/01/46/04/285014604.db2.gz NWFMTUXOSWIIKP-KGLIPLIRSA-N 1 0 322.474 3.467 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)C2CCCC2)cc1 ZINC000194005258 207638954 /nfs/dbraw/zinc/63/89/54/207638954.db2.gz FPEGPPUFKOMBCP-GOSISDBHSA-N 1 0 316.445 3.233 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000248660331 285015581 /nfs/dbraw/zinc/01/55/81/285015581.db2.gz VWMZAZODOFSBJH-RHSMWYFYSA-N 1 0 312.417 3.116 10 0 DGAERO CCC1(CC)CN([C@H](C)c2cccc(OC)c2)CC[S@]1=O ZINC000248986313 285043583 /nfs/dbraw/zinc/04/35/83/285043583.db2.gz JYVZPIVYZJBMLW-SPLOXXLWSA-N 1 0 309.475 3.379 10 0 DGAERO O[C@@H](CC1CCCC1)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000249040580 285048736 /nfs/dbraw/zinc/04/87/36/285048736.db2.gz GQLMJKWMSJVKJU-AZUAARDMSA-N 1 0 315.457 3.102 10 0 DGAERO CN1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CCC1=O ZINC000119921748 195062256 /nfs/dbraw/zinc/06/22/56/195062256.db2.gz FZWVJORCLXDYFX-LBPRGKRZSA-N 1 0 318.804 3.310 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2ccccc2F)o1 ZINC000120030180 195084096 /nfs/dbraw/zinc/08/40/96/195084096.db2.gz UDIWVULZTCELNG-ZIAGYGMSSA-N 1 0 315.392 3.149 10 0 DGAERO CC(C)[C@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000120086283 195094146 /nfs/dbraw/zinc/09/41/46/195094146.db2.gz GRDNDJKFJJCNNT-GTPINHCMSA-N 1 0 309.498 3.373 10 0 DGAERO O[C@H](C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)C1CCCCC1 ZINC000249145073 285059758 /nfs/dbraw/zinc/05/97/58/285059758.db2.gz WSZSFJUSFNEETI-UXHICEINSA-N 1 0 315.457 3.102 10 0 DGAERO CN(C(=O)Nc1nc(C(C)(C)C)cs1)[C@H]1CCC[NH2+]CC1 ZINC000333145916 252937885 /nfs/dbraw/zinc/93/78/85/252937885.db2.gz LVFJHJLPKPBNCO-NSHDSACASA-N 1 0 310.467 3.046 10 0 DGAERO CCCn1c2ccccc2nc1CN1CC[C@H](C)[C@@H](OC)C1 ZINC000249206030 285063990 /nfs/dbraw/zinc/06/39/90/285063990.db2.gz RVZQJRHUQWMPIX-YOEHRIQHSA-N 1 0 301.434 3.303 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](COC)C2CCOCC2)C1(CC)CC ZINC000249179045 285061627 /nfs/dbraw/zinc/06/16/27/285061627.db2.gz GWKUSXUYJPTGAQ-BRWVUGGUSA-N 1 0 313.482 3.001 10 0 DGAERO c1cc2c(cccc2CC[NH2+]Cc2ccc(-n3cncn3)cc2)[nH]1 ZINC000337311911 253084056 /nfs/dbraw/zinc/08/40/56/253084056.db2.gz VMMLVOFYYGSTMH-UHFFFAOYSA-N 1 0 317.396 3.081 10 0 DGAERO CSCCCC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000120166101 195108988 /nfs/dbraw/zinc/10/89/88/195108988.db2.gz LKGHHRZIRWDSHL-UHFFFAOYSA-N 1 0 308.491 3.028 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCc3c2cccc3Cl)C1 ZINC000249779762 285088715 /nfs/dbraw/zinc/08/87/15/285088715.db2.gz PDTALMARIMZFJT-LRDDRELGSA-N 1 0 321.852 3.111 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](CCCc3ccncc3)C2)n2c1CCCC2 ZINC000337449809 253117900 /nfs/dbraw/zinc/11/79/00/253117900.db2.gz SBKQSIYQAAAKOZ-GOSISDBHSA-N 1 0 324.472 3.427 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000249773024 285087989 /nfs/dbraw/zinc/08/79/89/285087989.db2.gz UHDKJQPCJNCIGJ-CJNGLKHVSA-N 1 0 307.413 3.012 10 0 DGAERO COCCN1CC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@H]1C ZINC000249975812 285092316 /nfs/dbraw/zinc/09/23/16/285092316.db2.gz XZAJSDOYDFBTIC-RLLQIKCJSA-N 1 0 316.489 3.149 10 0 DGAERO CC(C)c1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252442066 285102579 /nfs/dbraw/zinc/10/25/79/285102579.db2.gz GDYRVQMWXKKDMV-QAPCUYQASA-N 1 0 315.461 3.361 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@]1(CCO)CCOC1 ZINC000338197642 253240725 /nfs/dbraw/zinc/24/07/25/253240725.db2.gz PPFHYBFMEPHGGG-IDKBZEPQSA-N 1 0 309.837 3.122 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(SC)c2)[C@H](C)C1 ZINC000120193688 195115558 /nfs/dbraw/zinc/11/55/58/195115558.db2.gz CNXCCWQJJCGLHK-IUODEOHRSA-N 1 0 324.465 3.350 10 0 DGAERO CSC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000252775382 285105474 /nfs/dbraw/zinc/10/54/74/285105474.db2.gz NOUSLCGDIPBKPM-IHRRRGAJSA-N 1 0 316.511 3.363 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2CCC3)[C@H]1c1ccccc1 ZINC000252801515 285105498 /nfs/dbraw/zinc/10/54/98/285105498.db2.gz TZLDQJKFSHJPME-WOJBJXKFSA-N 1 0 320.436 3.351 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)C[C@H](C)O ZINC000252765220 285105560 /nfs/dbraw/zinc/10/55/60/285105560.db2.gz PKTUQEPSOPNHEM-AGIUHOORSA-N 1 0 301.377 3.358 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@H](C)c1ccccc1 ZINC000253548003 285110410 /nfs/dbraw/zinc/11/04/10/285110410.db2.gz AMNJQXXRQIPQOM-JQHSSLGASA-N 1 0 300.446 3.265 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@@H]2CSC2(C)C)c1 ZINC000338478095 253295041 /nfs/dbraw/zinc/29/50/41/253295041.db2.gz SGENEMHONMIFRZ-GFCCVEGCSA-N 1 0 316.264 3.441 10 0 DGAERO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000159055506 197322802 /nfs/dbraw/zinc/32/28/02/197322802.db2.gz QSOZKVBFIWKJEX-GJZGRUSLSA-N 1 0 311.433 3.382 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(Cl)cc1F ZINC000120221045 195121631 /nfs/dbraw/zinc/12/16/31/195121631.db2.gz UHDVCIGDQUTFLA-GFCCVEGCSA-N 1 0 300.805 3.185 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C/C=C\c2cccc(F)c2)CC[N@@H+]1C ZINC000255079086 285127622 /nfs/dbraw/zinc/12/76/22/285127622.db2.gz LIUSZABXJXSMQE-ZPOXIUPMSA-N 1 0 304.409 3.170 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)C/C=C\c1cccc(F)c1 ZINC000255084612 285128156 /nfs/dbraw/zinc/12/81/56/285128156.db2.gz HCAKNAINITYBJZ-QLBOMPFWSA-N 1 0 304.409 3.220 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]Cc1coc2ccccc12 ZINC000339407345 253462485 /nfs/dbraw/zinc/46/24/85/253462485.db2.gz JQSBXVVAKDLZAO-UHFFFAOYSA-N 1 0 318.380 3.362 10 0 DGAERO C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000157923560 197226976 /nfs/dbraw/zinc/22/69/76/197226976.db2.gz DZIWNPVXZJOXFV-CVEARBPZSA-N 1 0 309.417 3.198 10 0 DGAERO c1cc(C[NH2+]C[C@H]2COc3ccccc32)n(-c2ccccc2)n1 ZINC000342451904 253990375 /nfs/dbraw/zinc/99/03/75/253990375.db2.gz PSQANALSPNXGEZ-HNNXBMFYSA-N 1 0 305.381 3.138 10 0 DGAERO c1cn2c(C[N@@H+]3CCC[C@H]4COCC[C@H]43)c(C3CC3)nc2s1 ZINC000342914296 254073728 /nfs/dbraw/zinc/07/37/28/254073728.db2.gz OPSWVHKNRAFWCV-UONOGXRCSA-N 1 0 317.458 3.274 10 0 DGAERO COC(=O)c1cc(F)ccc1C[N@H+](C)CCc1ncc(C)s1 ZINC000157602577 197201133 /nfs/dbraw/zinc/20/11/33/197201133.db2.gz HYSIPCVUPCIPLB-UHFFFAOYSA-N 1 0 322.405 3.052 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000342821366 254058810 /nfs/dbraw/zinc/05/88/10/254058810.db2.gz MVEGFPSZOCGUTM-IBGZPJMESA-N 1 0 301.430 3.478 10 0 DGAERO Cc1ccc(/C=C\CC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000255770237 285179145 /nfs/dbraw/zinc/17/91/45/285179145.db2.gz KEOIEBGJAGSOEW-SVEBXFOSSA-N 1 0 300.446 3.246 10 0 DGAERO Cc1nc(CN2CCC[N@H+](C[C@H]3CC=CCC3)CC2)cs1 ZINC000157232575 197171363 /nfs/dbraw/zinc/17/13/63/197171363.db2.gz CCCLAARBZPSRSW-INIZCTEOSA-N 1 0 305.491 3.316 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000255915253 285187834 /nfs/dbraw/zinc/18/78/34/285187834.db2.gz CKYQKHSUGAWFBS-XITLMJRVSA-N 1 0 302.462 3.491 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000344773622 254304286 /nfs/dbraw/zinc/30/42/86/254304286.db2.gz LMMDVIVYTPEESM-AWEZNQCLSA-N 1 0 315.442 3.396 10 0 DGAERO CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262490685 285195570 /nfs/dbraw/zinc/19/55/70/285195570.db2.gz XEDYCPCLEMUEST-LEOABGAYSA-N 1 0 310.507 3.040 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+]CCN2CCCC[C@H]2C)c1 ZINC000156603161 197126866 /nfs/dbraw/zinc/12/68/66/197126866.db2.gz IJJNVNCGWUCWFP-CABCVRRESA-N 1 0 303.450 3.170 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cc1OC ZINC000155969906 197077334 /nfs/dbraw/zinc/07/73/34/197077334.db2.gz UULUYEUWQNCWSP-YCPHGPKFSA-N 1 0 306.450 3.083 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCOC(C)C)cc1NC(C)=O ZINC000154943154 197007371 /nfs/dbraw/zinc/00/73/71/197007371.db2.gz URIVMWPIKPAYCE-ZDUSSCGKSA-N 1 0 308.422 3.119 10 0 DGAERO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1COc2ccccc21 ZINC000120366963 195152563 /nfs/dbraw/zinc/15/25/63/195152563.db2.gz LMGUGNDVHWMMGL-KSSFIOAISA-N 1 0 324.424 3.043 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C)CCC2CCOCC2)cc1 ZINC000120369321 195153603 /nfs/dbraw/zinc/15/36/03/195153603.db2.gz YAZLKUFNLQMLJW-UHFFFAOYSA-N 1 0 318.461 3.497 10 0 DGAERO OCC1([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000120379987 195154748 /nfs/dbraw/zinc/15/47/48/195154748.db2.gz XLFNWHKBCIVSKR-UHFFFAOYSA-N 1 0 322.202 3.324 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC000120398923 195157668 /nfs/dbraw/zinc/15/76/68/195157668.db2.gz NYRMCZNHYPPWPM-UHFFFAOYSA-N 1 0 302.466 3.348 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000120397996 195158046 /nfs/dbraw/zinc/15/80/46/195158046.db2.gz IVAQGOSAIUUVJO-CZUORRHYSA-N 1 0 307.413 3.328 10 0 DGAERO CCc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000120401923 195159713 /nfs/dbraw/zinc/15/97/13/195159713.db2.gz VOBCDBYNXPCKFW-WMLDXEAASA-N 1 0 303.450 3.443 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(COC)c2)[C@H](C)C1 ZINC000120490850 195177140 /nfs/dbraw/zinc/17/71/40/195177140.db2.gz BJAZAFVXJVWHAX-RHSMWYFYSA-N 1 0 319.449 3.027 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)n1 ZINC000120489388 195175970 /nfs/dbraw/zinc/17/59/70/195175970.db2.gz RMBNLYCENPRCED-AWEZNQCLSA-N 1 0 320.387 3.085 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c(F)c1 ZINC000120496247 195178624 /nfs/dbraw/zinc/17/86/24/195178624.db2.gz ZJBQSNQAYJYRFL-NWDGAFQWSA-N 1 0 319.424 3.466 10 0 DGAERO CCCn1cc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000120619750 195202597 /nfs/dbraw/zinc/20/25/97/195202597.db2.gz HMRRCNYQQAWQGX-GOSISDBHSA-N 1 0 318.509 3.237 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000120739491 195228219 /nfs/dbraw/zinc/22/82/19/195228219.db2.gz DVSPITVCMAZLOB-QWHCGFSZSA-N 1 0 303.454 3.096 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1 ZINC000120714035 195221147 /nfs/dbraw/zinc/22/11/47/195221147.db2.gz USRZNMCEPCRAJD-CHWSQXEVSA-N 1 0 301.434 3.327 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1 ZINC000120713711 195222236 /nfs/dbraw/zinc/22/22/36/195222236.db2.gz USRZNMCEPCRAJD-OLZOCXBDSA-N 1 0 301.434 3.327 10 0 DGAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000120897401 195260070 /nfs/dbraw/zinc/26/00/70/195260070.db2.gz LDVQYUAMVPBDOL-FZMZJTMJSA-N 1 0 320.820 3.498 10 0 DGAERO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@H](c4ccnc(C)n4)O[C@H]3C2)cc1 ZINC000248131923 257108338 /nfs/dbraw/zinc/10/83/38/257108338.db2.gz YYMDUOIGRXZJHW-RLLQIKCJSA-N 1 0 323.440 3.446 10 0 DGAERO CC[C@H]1[N@H+](Cc2scnc2C)CCC[C@@]12CCC(=O)N2CC ZINC000248008998 257112180 /nfs/dbraw/zinc/11/21/80/257112180.db2.gz FQKDGUWVIJYNMA-NVXWUHKLSA-N 1 0 321.490 3.207 10 0 DGAERO CO[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1Cc1cccc(C)c1 ZINC000247867177 257116148 /nfs/dbraw/zinc/11/61/48/257116148.db2.gz JJUMKQQLRQKWPC-QUCCMNQESA-N 1 0 310.441 3.470 10 0 DGAERO Fc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC000503716875 257209529 /nfs/dbraw/zinc/20/95/29/257209529.db2.gz JBIHUZJBBNYOHO-RTBURBONSA-N 1 0 311.404 3.070 10 0 DGAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)CSc1ccc(Cl)cc1)C2 ZINC000000136095 257266417 /nfs/dbraw/zinc/26/64/17/257266417.db2.gz XUJCMFOKNVUYGL-AGUYFDCRSA-N 1 0 324.877 3.174 10 0 DGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000178354471 285339331 /nfs/dbraw/zinc/33/93/31/285339331.db2.gz LARCNBFDDBVYPI-ZIFCJYIRSA-N 1 0 313.372 3.287 10 0 DGAERO O[C@H](C[N@@H+]1CCCC[C@H]1Cc1ccccc1)CC(F)(F)F ZINC000469579194 285350227 /nfs/dbraw/zinc/35/02/27/285350227.db2.gz TYKHIDPIDYTWGP-GJZGRUSLSA-N 1 0 301.352 3.397 10 0 DGAERO Cc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)n1 ZINC000120947620 195269852 /nfs/dbraw/zinc/26/98/52/195269852.db2.gz IAOKJKNJXINUTA-HUUCEWRRSA-N 1 0 317.477 3.186 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2Cc2ccccc2)C1 ZINC000121587374 195311486 /nfs/dbraw/zinc/31/14/86/195311486.db2.gz UVVNCZFNYIDDDW-GOSISDBHSA-N 1 0 322.452 3.349 10 0 DGAERO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000120971986 195274867 /nfs/dbraw/zinc/27/48/67/195274867.db2.gz FEHRMYPXXLAMDP-MRXNPFEDSA-N 1 0 319.401 3.195 10 0 DGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000121544357 195304994 /nfs/dbraw/zinc/30/49/94/195304994.db2.gz AOTTXWKDCIEBCG-UONOGXRCSA-N 1 0 318.442 3.054 10 0 DGAERO C[C@]1(C[NH2+]CC2CCOCC2)CCCN1Cc1ccccc1 ZINC000121809929 195352751 /nfs/dbraw/zinc/35/27/51/195352751.db2.gz LCOCWSZCLPZTKO-LJQANCHMSA-N 1 0 302.462 3.057 10 0 DGAERO CCn1cc(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000121819056 195353651 /nfs/dbraw/zinc/35/36/51/195353651.db2.gz GJALJIFCOZPZCK-LJQANCHMSA-N 1 0 312.461 3.047 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1cccc(CO)c1 ZINC000121838547 195359318 /nfs/dbraw/zinc/35/93/18/195359318.db2.gz CZIBUYHLJXHGCM-KXBFYZLASA-N 1 0 324.424 3.025 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(F)c(C)c3)C2)n1 ZINC000121955008 195380679 /nfs/dbraw/zinc/38/06/79/195380679.db2.gz BZFQMHWLCBLFIS-KRWDZBQOSA-N 1 0 316.424 3.255 10 0 DGAERO COc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000121971235 195383385 /nfs/dbraw/zinc/38/33/85/195383385.db2.gz CNAFNVMOSSFCEP-GXTWGEPZSA-N 1 0 305.340 3.295 10 0 DGAERO CCCn1nc(C)c(C[NH+]2CCC(Cn3cccn3)CC2)c1C ZINC000122048732 195394695 /nfs/dbraw/zinc/39/46/95/195394695.db2.gz GCFYXHYNRUXVKA-UHFFFAOYSA-N 1 0 315.465 3.019 10 0 DGAERO c1cnn(CC2CC[NH+](CC3=Cc4ccccc4OC3)CC2)c1 ZINC000122087797 195399192 /nfs/dbraw/zinc/39/91/92/195399192.db2.gz WOSIPBISYSWBHU-UHFFFAOYSA-N 1 0 309.413 3.071 10 0 DGAERO O=C(c1ccccc1)N1CCC(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000123435602 195582151 /nfs/dbraw/zinc/58/21/51/195582151.db2.gz ZLDDLNLLIHBWSO-QGZVFWFLSA-N 1 0 312.457 3.485 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000310776602 533281906 /nfs/dbraw/zinc/28/19/06/533281906.db2.gz ARIVHVJEBAODQH-FZMZJTMJSA-N 1 0 316.239 3.151 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CCCC1 ZINC000172234058 533586139 /nfs/dbraw/zinc/58/61/39/533586139.db2.gz CNNYQEXLEMYUQB-DOTOQJQBSA-N 1 0 307.482 3.225 10 0 DGAERO c1c[nH]c([C@@H]([NH2+][C@H]2CCc3ccccc3C2)c2cccnc2)n1 ZINC000279994213 285426767 /nfs/dbraw/zinc/42/67/67/285426767.db2.gz FMTQYZAMOLIHQO-ROUUACIJSA-N 1 0 304.397 3.041 10 0 DGAERO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328619159 533624739 /nfs/dbraw/zinc/62/47/39/533624739.db2.gz FPERPLJTSIVBQC-NUJGCVRESA-N 1 0 324.509 3.208 10 0 DGAERO c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000112549839 285502655 /nfs/dbraw/zinc/50/26/55/285502655.db2.gz YXIYNRMYJCBOKA-SJLPKXTDSA-N 1 0 308.429 3.113 10 0 DGAERO CCCOc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000089454931 545814980 /nfs/dbraw/zinc/81/49/80/545814980.db2.gz KWASFUYTTUEYGI-YPMHNXCESA-N 1 0 310.825 3.442 10 0 DGAERO Cc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000176553555 292051928 /nfs/dbraw/zinc/05/19/28/292051928.db2.gz BBASGBXJAXBCJF-HNNXBMFYSA-N 1 0 304.409 3.225 10 0 DGAERO COC1([C@@H](C)[NH2+]CC2(c3ccccc3)CCC2)CCOCC1 ZINC000453067793 292134057 /nfs/dbraw/zinc/13/40/57/292134057.db2.gz JHWVHYFDACNVKN-MRXNPFEDSA-N 1 0 303.446 3.282 10 0 DGAERO CC[N@@H+]1CCC[C@@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000066454799 400090521 /nfs/dbraw/zinc/09/05/21/400090521.db2.gz AGWJMQSHAFTORZ-LLVKDONJSA-N 1 0 306.360 3.464 10 0 DGAERO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCn2ccccc2=O)o1 ZINC000608510971 400083672 /nfs/dbraw/zinc/08/36/72/400083672.db2.gz UROZYDYMITYEJN-NVXWUHKLSA-N 1 0 314.429 3.477 10 0 DGAERO CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCC[NH2+]1 ZINC000616575880 400176641 /nfs/dbraw/zinc/17/66/41/400176641.db2.gz MVFOKLZYQZMERP-OAQYLSRUSA-N 1 0 322.452 3.497 10 0 DGAERO COc1cccc(NC(=O)Nc2ccc3c(c2)CC[C@H]([NH3+])C3)c1 ZINC000324084828 400178399 /nfs/dbraw/zinc/17/83/99/400178399.db2.gz GGIHAWVYKATKAX-AWEZNQCLSA-N 1 0 311.385 3.155 10 0 DGAERO CCOC(=O)c1cccc([C@@H]2CCOCC[N@@H+]2C(C)(C)C)c1 ZINC000616597763 400181056 /nfs/dbraw/zinc/18/10/56/400181056.db2.gz KHKARKVKEKQYNV-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO CCOC(=O)c1ccc([C@H]2COCCC[N@@H+]2C(C)(C)C)cc1 ZINC000616599358 400182110 /nfs/dbraw/zinc/18/21/10/400182110.db2.gz JXFQGDQNSHSMKM-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCC[N@@H+]2CCO)c1 ZINC000616608420 400182857 /nfs/dbraw/zinc/18/28/57/400182857.db2.gz UOTYWAMPJSANBR-HNNXBMFYSA-N 1 0 306.406 3.163 10 0 DGAERO CCCc1nnc(N2CCC[C@H]([NH+]3CCCCCC3)C2)s1 ZINC000091482368 400122561 /nfs/dbraw/zinc/12/25/61/400122561.db2.gz ZHFDQSKEUYFUGC-AWEZNQCLSA-N 1 0 308.495 3.335 10 0 DGAERO CCC1(CC)C[NH2+][C@@H]1c1ncc(I)s1 ZINC000306205795 400123762 /nfs/dbraw/zinc/12/37/62/400123762.db2.gz OZVHNFUTDRDDJY-MRVPVSSYSA-N 1 0 322.215 3.198 10 0 DGAERO [NH3+]C[C@H]1C[C@@H]1c1cc(Br)cc(Br)c1 ZINC000307223420 400128578 /nfs/dbraw/zinc/12/85/78/400128578.db2.gz KCHGZGSYCMVIIZ-GMSGAONNSA-N 1 0 305.013 3.274 10 0 DGAERO O[C@H](C[NH2+]CCCCF)COc1c(Cl)cccc1Cl ZINC000311741551 400135077 /nfs/dbraw/zinc/13/50/77/400135077.db2.gz SRUQOSXDGWKJHF-SNVBAGLBSA-N 1 0 310.196 3.072 10 0 DGAERO CC(C)(C)OC(=O)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000608976591 400135281 /nfs/dbraw/zinc/13/52/81/400135281.db2.gz AUJCPDRSJQHURE-UHFFFAOYSA-N 1 0 323.408 3.258 10 0 DGAERO Cc1ccc(Br)cc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000313906590 400137904 /nfs/dbraw/zinc/13/79/04/400137904.db2.gz QLDKDYFGIJRFKR-ZDUSSCGKSA-N 1 0 300.240 3.254 10 0 DGAERO CC(C)SCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000609130350 400140927 /nfs/dbraw/zinc/14/09/27/400140927.db2.gz WYTNDFDUNMPVPR-MRXNPFEDSA-N 1 0 312.523 3.243 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCC[N@H+](CCO)C1 ZINC000616621732 400186939 /nfs/dbraw/zinc/18/69/39/400186939.db2.gz WXWRDJXLLCWYBK-CQSZACIVSA-N 1 0 320.433 3.205 10 0 DGAERO OCCc1ccccc1[C@@H]1COCCC[N@@H+]1Cc1ccccc1 ZINC000616645796 400192587 /nfs/dbraw/zinc/19/25/87/400192587.db2.gz BBYKOMNZJMLDQZ-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO C[N@@H+]1CCOC[C@@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616659446 400196046 /nfs/dbraw/zinc/19/60/46/400196046.db2.gz ALNYQOFPEMVXDF-ZDUSSCGKSA-N 1 0 306.406 3.079 10 0 DGAERO c1ccc(C[N@@H+]2CCOC[C@H](c3ccc4nnccc4c3)C2)cc1 ZINC000616663577 400196463 /nfs/dbraw/zinc/19/64/63/400196463.db2.gz RLSHHIAEAGTLMQ-LJQANCHMSA-N 1 0 319.408 3.246 10 0 DGAERO CCOC(=O)c1ccccc1[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616673449 400199033 /nfs/dbraw/zinc/19/90/33/400199033.db2.gz BKEZQTDYBLJJOK-INIZCTEOSA-N 1 0 324.424 3.164 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1cccc2ncccc21 ZINC000616678432 400200642 /nfs/dbraw/zinc/20/06/42/400200642.db2.gz IBBTUQTYNXKDSW-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cccc2cccnc21 ZINC000616682350 400201242 /nfs/dbraw/zinc/20/12/42/400201242.db2.gz HWLASNZEHOWDJJ-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cncc2ccccc21 ZINC000616692340 400206686 /nfs/dbraw/zinc/20/66/86/400206686.db2.gz NMALQVAWKALVQD-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccsc1Br ZINC000388519411 400268217 /nfs/dbraw/zinc/26/82/17/400268217.db2.gz WHHKFJKEOGLKEI-MWLCHTKSSA-N 1 0 304.253 3.151 10 0 DGAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])CC[C@H]2C(F)(F)F)cc1Cl ZINC000393281037 400278804 /nfs/dbraw/zinc/27/88/04/400278804.db2.gz YIMCSZCDHABFCR-PWSUYJOCSA-N 1 0 320.742 3.143 10 0 DGAERO C[C@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000397994656 400287392 /nfs/dbraw/zinc/28/73/92/400287392.db2.gz RDCHDFATQBWJDS-AJYBTWMASA-N 1 0 312.457 3.203 10 0 DGAERO COC(=O)c1cc(Cl)nc(-c2ccc(C[NH+](C)C)cc2)c1 ZINC000098185698 400290361 /nfs/dbraw/zinc/29/03/61/400290361.db2.gz ZIQSBJGOVGMTEX-UHFFFAOYSA-N 1 0 304.777 3.250 10 0 DGAERO [NH3+]C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000401772431 400291757 /nfs/dbraw/zinc/29/17/57/400291757.db2.gz KJMGRWNIDHVSSR-QMMMGPOBSA-N 1 0 316.110 3.005 10 0 DGAERO CC(C)(C)OC(=O)N([C@@H](C(=[NH2+])NO)c1ccccc1)C1CC1 ZINC000409442368 400301342 /nfs/dbraw/zinc/30/13/42/400301342.db2.gz VBHWKSRNMDTOEE-CYBMUJFWSA-N 1 0 305.378 3.083 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H](C)c1ccccc1F ZINC000102637803 400301838 /nfs/dbraw/zinc/30/18/38/400301838.db2.gz MFJWQGBCXIOCPZ-HUUCEWRRSA-N 1 0 308.441 3.412 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)NCC2CCCCC2)cc1F ZINC000102698618 400303336 /nfs/dbraw/zinc/30/33/36/400303336.db2.gz GCKXIONIRFMAHU-ZDUSSCGKSA-N 1 0 322.424 3.181 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000104806598 400316150 /nfs/dbraw/zinc/31/61/50/400316150.db2.gz VBRQEPLSGYVQDQ-UHFFFAOYSA-N 1 0 323.868 3.356 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000611404853 400394664 /nfs/dbraw/zinc/39/46/64/400394664.db2.gz UFHPRWYWCJLSPL-HOTGVXAUSA-N 1 0 305.418 3.086 10 0 DGAERO CCOC(=O)CCCCCOc1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000034537495 400385744 /nfs/dbraw/zinc/38/57/44/400385744.db2.gz MHDJVAZPFIJYFG-UHFFFAOYSA-N 1 0 318.417 3.171 10 0 DGAERO OC(c1cccc(F)c1)(c1cccc(F)c1)C1CC[NH2+]CC1 ZINC000034434978 400385842 /nfs/dbraw/zinc/38/58/42/400385842.db2.gz IIWQWBISTOSGCD-UHFFFAOYSA-N 1 0 303.352 3.200 10 0 DGAERO COC(=O)c1cc(Cl)ccc1NC[C@@H]1CC2(CC2)CC[NH2+]1 ZINC000114872445 400390788 /nfs/dbraw/zinc/39/07/88/400390788.db2.gz BJQUJZRLFBKZSW-LBPRGKRZSA-N 1 0 308.809 3.071 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106901057 400332852 /nfs/dbraw/zinc/33/28/52/400332852.db2.gz ALFOXTRWFTXBKO-LPHOPBHVSA-N 1 0 310.441 3.345 10 0 DGAERO CCOC(=O)CC[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000611038682 400339858 /nfs/dbraw/zinc/33/98/58/400339858.db2.gz XYMHRPICDNLCQG-OAHLLOKOSA-N 1 0 323.408 3.260 10 0 DGAERO C[C@@H]1C[C@H](c2cc(Br)c(Br)o2)C[NH2+]1 ZINC000070586638 400354246 /nfs/dbraw/zinc/35/42/46/400354246.db2.gz QDNHBMMATQZODG-RITPCOANSA-N 1 0 309.001 3.270 10 0 DGAERO CCc1cc(C(=[NH2+])NO)cc(C)c1CCC(=O)OC(C)(C)C ZINC000115443584 400398085 /nfs/dbraw/zinc/39/80/85/400398085.db2.gz XRKMEAGBLSAHAA-UHFFFAOYSA-N 1 0 306.406 3.136 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000115857672 400402459 /nfs/dbraw/zinc/40/24/59/400402459.db2.gz RFEMSWNJGFDNBK-DLBZAZTESA-N 1 0 315.461 3.244 10 0 DGAERO CC(C)[C@H](CC1CCCCC1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116788881 400412557 /nfs/dbraw/zinc/41/25/57/400412557.db2.gz RPQIBLKKUHVEEL-ROUUACIJSA-N 1 0 324.509 3.018 10 0 DGAERO Cc1cccc(NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC000117722549 400421354 /nfs/dbraw/zinc/42/13/54/400421354.db2.gz OEKUFHBJXGEOIL-QGZVFWFLSA-N 1 0 311.385 3.300 10 0 DGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000590811334 400439996 /nfs/dbraw/zinc/43/99/96/400439996.db2.gz IKXVUILLHJXOJA-CYBMUJFWSA-N 1 0 319.836 3.424 10 0 DGAERO CN(CC1CC[NH+](C)CC1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000590915996 400460410 /nfs/dbraw/zinc/46/04/10/400460410.db2.gz JMXUOBSIGHXOBQ-UHFFFAOYSA-N 1 0 319.836 3.235 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C)CC1 ZINC000043180140 400457847 /nfs/dbraw/zinc/45/78/47/400457847.db2.gz PTGCYUTZFFUKGY-LBPRGKRZSA-N 1 0 309.841 3.137 10 0 DGAERO c1ccc2c(c1)CC[N@@H+](CCNc1ncnc3ccccc31)C2 ZINC000045026615 400509176 /nfs/dbraw/zinc/50/91/76/400509176.db2.gz BLIVHOUATQTRFW-UHFFFAOYSA-N 1 0 304.397 3.100 10 0 DGAERO C[C@]1(CNC(=O)Nc2ccccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000122417192 400461892 /nfs/dbraw/zinc/46/18/92/400461892.db2.gz PYLWQGZLCKPTKQ-LJQANCHMSA-N 1 0 324.428 3.258 10 0 DGAERO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccccn2)CC1 ZINC000590930007 400462850 /nfs/dbraw/zinc/46/28/50/400462850.db2.gz MMPQVCKDFMBSPK-MRXNPFEDSA-N 1 0 307.441 3.497 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)NC1CCCCC1)c1cccc(F)c1 ZINC000043467534 400467717 /nfs/dbraw/zinc/46/77/17/400467717.db2.gz HJCQDMJDGUXETO-INIZCTEOSA-N 1 0 307.413 3.060 10 0 DGAERO C[C@@H]1C[C@H]([NH3+])CCN1CCOc1c(Cl)cccc1Cl ZINC000124499746 400475942 /nfs/dbraw/zinc/47/59/42/400475942.db2.gz KTNQZULVPOSALG-GHMZBOCLSA-N 1 0 303.233 3.184 10 0 DGAERO Cc1cccc2c1CCN2C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000124829565 400479265 /nfs/dbraw/zinc/47/92/65/400479265.db2.gz GGONGWBAWOKZQB-HNNXBMFYSA-N 1 0 303.450 3.043 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000133563108 400571036 /nfs/dbraw/zinc/57/10/36/400571036.db2.gz WNTWBJVROOCSTR-UHFFFAOYSA-N 1 0 324.852 3.476 10 0 DGAERO [NH3+][C@H](c1ccsc1)c1csc(I)c1 ZINC000129289120 400524297 /nfs/dbraw/zinc/52/42/97/400524297.db2.gz WBHSNZQIPZCFMP-SECBINFHSA-N 1 0 321.208 3.462 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000130431373 400539231 /nfs/dbraw/zinc/53/92/31/400539231.db2.gz JQNDLKNKCANZOO-LSDHHAIUSA-N 1 0 314.433 3.450 10 0 DGAERO CC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)C)c1nccs1 ZINC000130643691 400541697 /nfs/dbraw/zinc/54/16/97/400541697.db2.gz PWZDQOQRQOXUDT-KGLIPLIRSA-N 1 0 303.431 3.013 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1nccc2ccccc21)c1ccccc1 ZINC000132322573 400558603 /nfs/dbraw/zinc/55/86/03/400558603.db2.gz COZFEWAALNQGCZ-GOSISDBHSA-N 1 0 319.408 3.268 10 0 DGAERO OC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000142704075 400630696 /nfs/dbraw/zinc/63/06/96/400630696.db2.gz CLKFRQPIDOAMAZ-HNNXBMFYSA-N 1 0 303.352 3.200 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000076057361 400631364 /nfs/dbraw/zinc/63/13/64/400631364.db2.gz YOCWZXCUCALHLH-KCXAZCMYSA-N 1 0 321.852 3.185 10 0 DGAERO COCC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2C(C)C)C1 ZINC000592328187 400635712 /nfs/dbraw/zinc/63/57/12/400635712.db2.gz NREKZOVSONFPPB-HNNXBMFYSA-N 1 0 319.449 3.042 10 0 DGAERO CC(C)C(=O)Nc1c(F)cc(F)c(C2CC[NH2+]CC2)c1F ZINC000138537416 400599713 /nfs/dbraw/zinc/59/97/13/400599713.db2.gz PAUCOBGGPTZVJI-UHFFFAOYSA-N 1 0 300.324 3.165 10 0 DGAERO CC(C)c1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000139371007 400606029 /nfs/dbraw/zinc/60/60/29/400606029.db2.gz RPPJUCMANPWMFH-WMLDXEAASA-N 1 0 303.450 3.264 10 0 DGAERO O=C(Nc1cnc([C@H]2CCC[NH2+]C2)s1)Nc1ccccc1 ZINC000146742950 400649859 /nfs/dbraw/zinc/64/98/59/400649859.db2.gz QORGSEDVDYEWED-NSHDSACASA-N 1 0 302.403 3.254 10 0 DGAERO C[C@H]1CN(c2nc3ccc(C(F)(F)F)cc3s2)CC[NH2+]1 ZINC000145798561 400647152 /nfs/dbraw/zinc/64/71/52/400647152.db2.gz RBGNLCLIQMVPGS-QMMMGPOBSA-N 1 0 301.337 3.113 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F)cc1 ZINC000076574435 400661711 /nfs/dbraw/zinc/66/17/11/400661711.db2.gz KUUNIJCVIXQPGS-GFCCVEGCSA-N 1 0 316.367 3.481 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Cl)ccc2N(C)C)C1 ZINC000151385656 400672180 /nfs/dbraw/zinc/67/21/80/400672180.db2.gz DJRBDGWEUYMKPC-CYBMUJFWSA-N 1 0 324.856 3.012 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000076996891 400684924 /nfs/dbraw/zinc/68/49/24/400684924.db2.gz YHXYEXAESDYQHX-RBUKOAKNSA-N 1 0 314.473 3.466 10 0 DGAERO Cc1cccc(-c2noc(CN3CCO[C@H]4CCCC[C@H]43)n2)c1 ZINC000613450781 400723274 /nfs/dbraw/zinc/72/32/74/400723274.db2.gz ITVJJNCFEINLBX-CVEARBPZSA-N 1 0 313.401 3.188 10 0 DGAERO CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)c1nccs1 ZINC000159121446 400729102 /nfs/dbraw/zinc/72/91/02/400729102.db2.gz VVBWERQSVBKKSB-KGLIPLIRSA-N 1 0 324.494 3.014 10 0 DGAERO CC[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1nccs1 ZINC000162519204 400745141 /nfs/dbraw/zinc/74/51/41/400745141.db2.gz YHNGMZFMAZXXEX-AWEZNQCLSA-N 1 0 324.494 3.206 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCc2ccccc2[C@@H]1C ZINC000171711288 400805069 /nfs/dbraw/zinc/80/50/69/400805069.db2.gz NPOAYFSCEHDBOD-GJZGRUSLSA-N 1 0 303.450 3.046 10 0 DGAERO CCC(CC)(CNC(=O)C(C)(C)OC)[NH2+][C@@H](C)c1ccccc1 ZINC000171873375 400809235 /nfs/dbraw/zinc/80/92/35/400809235.db2.gz IJOQBBOAAPMPRE-HNNXBMFYSA-N 1 0 320.477 3.437 10 0 DGAERO Cc1ccc(NC(=O)Nc2nccs2)c(OCC[NH+](C)C)c1 ZINC000172334728 400821816 /nfs/dbraw/zinc/82/18/16/400821816.db2.gz YJZLVLXWDGQXPI-UHFFFAOYSA-N 1 0 320.418 3.036 10 0 DGAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000078606916 400814212 /nfs/dbraw/zinc/81/42/12/400814212.db2.gz BHNHFXOSFDDADT-KGLIPLIRSA-N 1 0 320.433 3.213 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307667 400817879 /nfs/dbraw/zinc/81/78/79/400817879.db2.gz HQYDSBFXGZTDGK-NSHDSACASA-N 1 0 315.244 3.342 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000170807403 400775810 /nfs/dbraw/zinc/77/58/10/400775810.db2.gz FLURRVYCCCYZPH-MAUKXSAKSA-N 1 0 315.461 3.270 10 0 DGAERO Cc1cc(O[C@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1C(C)C ZINC000170865463 400777914 /nfs/dbraw/zinc/77/79/14/400777914.db2.gz ANWRCKMPDKMFLC-HZPDHXFCSA-N 1 0 318.461 3.048 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1ccccc1F)C1CC1 ZINC000171304352 400795761 /nfs/dbraw/zinc/79/57/61/400795761.db2.gz RVRIREJNWNVDFP-AWEZNQCLSA-N 1 0 321.440 3.230 10 0 DGAERO CN(Cc1csc(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000172584979 400833931 /nfs/dbraw/zinc/83/39/31/400833931.db2.gz WPYCHIYWKORWHT-NSHDSACASA-N 1 0 317.296 3.284 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000174423102 400856781 /nfs/dbraw/zinc/85/67/81/400856781.db2.gz IDNMXRXDRDRNEE-HXUWFJFHSA-N 1 0 318.505 3.428 10 0 DGAERO CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000619510965 400859340 /nfs/dbraw/zinc/85/93/40/400859340.db2.gz JAIWDKGYQPRURI-HZPDHXFCSA-N 1 0 313.482 3.227 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000606646087 400938223 /nfs/dbraw/zinc/93/82/23/400938223.db2.gz PRSGRKUDEQZZPY-DLBZAZTESA-N 1 0 317.477 3.130 10 0 DGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)CC/C=C\c1ccccc1 ZINC000606372836 400904523 /nfs/dbraw/zinc/90/45/23/400904523.db2.gz DTSLJJQUEXSDPX-HCSGDKDASA-N 1 0 300.446 3.471 10 0 DGAERO CC[C@](C)(COc1ncccc1Cl)[NH2+]C[C@@H](C)COC ZINC000188159479 400907341 /nfs/dbraw/zinc/90/73/41/400907341.db2.gz JKQSVMRGQMTWON-IUODEOHRSA-N 1 0 300.830 3.155 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000606489121 400921183 /nfs/dbraw/zinc/92/11/83/400921183.db2.gz ZRIUIZJOMQEJQJ-IRXDYDNUSA-N 1 0 317.477 3.130 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000606500072 400923242 /nfs/dbraw/zinc/92/32/42/400923242.db2.gz ZEXMEVDCHOXYRU-NJAFHUGGSA-N 1 0 315.461 3.025 10 0 DGAERO Nc1c(Br)cc(Br)cc1[C@@H]1CCC[NH2+]1 ZINC000238631136 400998950 /nfs/dbraw/zinc/99/89/50/400998950.db2.gz CDRIJXAVZCBURL-VIFPVBQESA-N 1 0 320.028 3.218 10 0 DGAERO [O-][N+]1=C(c2ccccc2)C(c2ccccc2)=[N+](O)[C@@H]2CCCC[C@H]21 ZINC000225398034 400956497 /nfs/dbraw/zinc/95/64/97/400956497.db2.gz FCDVGFKUJXQJGY-QZTJIDSGSA-N 1 0 322.408 3.093 10 0 DGAERO C[N@H+](CCNc1ncc(Br)cc1F)C1CCCC1 ZINC000234281709 400974517 /nfs/dbraw/zinc/97/45/17/400974517.db2.gz VXQCIRKHRNOSCK-UHFFFAOYSA-N 1 0 316.218 3.270 10 0 DGAERO CCC[C@@H](C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000248296084 401068403 /nfs/dbraw/zinc/06/84/03/401068403.db2.gz XHISDYUPPHYZEP-OAHLLOKOSA-N 1 0 303.450 3.203 10 0 DGAERO Cn1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(C2CCCCC2)n1 ZINC000248444347 401071122 /nfs/dbraw/zinc/07/11/22/401071122.db2.gz BMWBUFMLISRKAH-SFHVURJKSA-N 1 0 316.493 3.138 10 0 DGAERO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](CCc2ccccc2F)C1 ZINC000248767303 401076962 /nfs/dbraw/zinc/07/69/62/401076962.db2.gz XECAZJSXDMAZMI-KDOFPFPSSA-N 1 0 321.342 3.454 10 0 DGAERO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246187944 401022019 /nfs/dbraw/zinc/02/20/19/401022019.db2.gz LMJFQZUAFJSRHT-RBUKOAKNSA-N 1 0 314.473 3.198 10 0 DGAERO C[C@@H](NC(=O)N1CCN(C)C[C@H]1c1ccccc1)C(C)(C)C ZINC000246573914 401032407 /nfs/dbraw/zinc/03/24/07/401032407.db2.gz MLOUQGSBUYIZNT-ZBFHGGJFSA-N 1 0 303.450 3.119 10 0 DGAERO CN(C)[C@H](C[NH2+]Cc1nc2ccccc2o1)c1cccc(F)c1 ZINC000607191876 401034949 /nfs/dbraw/zinc/03/49/49/401034949.db2.gz IFJDZVAHJRMONV-MRXNPFEDSA-N 1 0 313.376 3.359 10 0 DGAERO C[NH+](C)[C@@H](CNCc1nc2ccccc2o1)Cc1ccccc1 ZINC000607204392 401036024 /nfs/dbraw/zinc/03/60/24/401036024.db2.gz KLOMJAXGUMJNFN-MRXNPFEDSA-N 1 0 309.413 3.090 10 0 DGAERO Brc1cnccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000625158632 401046189 /nfs/dbraw/zinc/04/61/89/401046189.db2.gz GEUGZTKIWFNPLT-LBPRGKRZSA-N 1 0 307.191 3.427 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@H+](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000257354564 401109912 /nfs/dbraw/zinc/10/99/12/401109912.db2.gz YMQGKWCHLAQCPE-ZIAGYGMSSA-N 1 0 307.438 3.407 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000257353789 401109996 /nfs/dbraw/zinc/10/99/96/401109996.db2.gz TYDYHDVNDQAIRX-KGLIPLIRSA-N 1 0 307.438 3.455 10 0 DGAERO CC[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)(C)c1ccccc1 ZINC000262249236 401115712 /nfs/dbraw/zinc/11/57/12/401115712.db2.gz CXVPIQMRMJDPCW-XIRDDKMYSA-N 1 0 302.462 3.377 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)C1 ZINC000262324203 401116696 /nfs/dbraw/zinc/11/66/96/401116696.db2.gz WRAMOXVUMZGKEL-INDMIFKZSA-N 1 0 314.473 3.422 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1C ZINC000262445080 401116807 /nfs/dbraw/zinc/11/68/07/401116807.db2.gz CHGMTTZDBSTCQY-IDCNUPLLSA-N 1 0 300.446 3.401 10 0 DGAERO Cc1ccccc1CCNC(=O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000607752915 401117324 /nfs/dbraw/zinc/11/73/24/401117324.db2.gz ZQMYTKQYMULHSL-UHFFFAOYSA-N 1 0 314.473 3.310 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)[C@@H](C)c1ccccc1 ZINC000262495336 401117854 /nfs/dbraw/zinc/11/78/54/401117854.db2.gz ZBPUSIRYZCMTJG-KSIDHJATSA-N 1 0 300.446 3.216 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000358224095 286002895 /nfs/dbraw/zinc/00/28/95/286002895.db2.gz JKHSPDKCTXIEBZ-FQEVSTJZSA-N 1 0 307.441 3.413 10 0 DGAERO CC1=CCN(CC[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000358224345 286002920 /nfs/dbraw/zinc/00/29/20/286002920.db2.gz MFRMJAHFEGRERI-QGZVFWFLSA-N 1 0 310.445 3.175 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000607924299 401150778 /nfs/dbraw/zinc/15/07/78/401150778.db2.gz MGXCOCZGPRQSKT-DLBZAZTESA-N 1 0 306.494 3.463 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc(OC)cc2Cl)CC1 ZINC000607923007 401151119 /nfs/dbraw/zinc/15/11/19/401151119.db2.gz FZLHJMGZLFETMV-UHFFFAOYSA-N 1 0 324.852 3.200 10 0 DGAERO c1ccc2c(c1)oc1c2ncnc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594709033 401157112 /nfs/dbraw/zinc/15/71/12/401157112.db2.gz BKXJLPSACDOXMV-ZDUSSCGKSA-N 1 0 308.385 3.272 10 0 DGAERO c1cc(C[NH2+]CC2CCSCC2)n(CCc2ccccc2)n1 ZINC000621335644 401170886 /nfs/dbraw/zinc/17/08/86/401170886.db2.gz UDHHGSARDWZSHE-UHFFFAOYSA-N 1 0 315.486 3.359 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000630077534 401178299 /nfs/dbraw/zinc/17/82/99/401178299.db2.gz RVPLLGKNAUTULU-UZLBHIALSA-N 1 0 314.473 3.308 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CC=CCC1)COc1c(Cl)cccc1Cl ZINC000088748460 401208223 /nfs/dbraw/zinc/20/82/23/401208223.db2.gz CLBVVHPWPOPKIO-VXGBXAGGSA-N 1 0 316.228 3.431 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000090250656 401264720 /nfs/dbraw/zinc/26/47/20/401264720.db2.gz OOCKDYXTIRCHQN-VXGBXAGGSA-N 1 0 318.642 3.496 10 0 DGAERO c1csc(N2CCC([NH2+][C@H](c3cccnc3)C3CC3)CC2)n1 ZINC000358363231 286042388 /nfs/dbraw/zinc/04/23/88/286042388.db2.gz DGOKKTGNWOBWBS-INIZCTEOSA-N 1 0 314.458 3.248 10 0 DGAERO CC1CC(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000622017601 401336527 /nfs/dbraw/zinc/33/65/27/401336527.db2.gz YOTHGYQGFJYTPY-MCIGGMRASA-N 1 0 318.244 3.369 10 0 DGAERO c1cc2c(ncnc2N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000264650550 296608495 /nfs/dbraw/zinc/60/84/95/296608495.db2.gz WZZZUBCBTCPUKL-ZDUSSCGKSA-N 1 0 302.447 3.146 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000066197138 401296998 /nfs/dbraw/zinc/29/69/98/401296998.db2.gz VPCFLHXJPNFQOP-ZDUSSCGKSA-N 1 0 311.857 3.212 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)c2ccccc21 ZINC000621765223 401297965 /nfs/dbraw/zinc/29/79/65/401297965.db2.gz UHHFZTXMQHYURF-UKRRQHHQSA-N 1 0 308.372 3.365 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CC2(F)F)c2ccccc2C1 ZINC000621768819 401298205 /nfs/dbraw/zinc/29/82/05/401298205.db2.gz VMYMYVZSPDJPIO-GOEBONIOSA-N 1 0 308.372 3.115 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCCC[C@@]32C)cc1 ZINC000626104147 401300329 /nfs/dbraw/zinc/30/03/29/401300329.db2.gz GTNQFPPGIYRSLJ-LPHOPBHVSA-N 1 0 314.429 3.482 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)n(CC2CCC2)n1 ZINC000631042082 401375828 /nfs/dbraw/zinc/37/58/28/401375828.db2.gz VQNKRXLDJNREKM-SFHVURJKSA-N 1 0 324.472 3.299 10 0 DGAERO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000634949489 401386477 /nfs/dbraw/zinc/38/64/77/401386477.db2.gz SEUYBWLJKCXWRK-LBPRGKRZSA-N 1 0 322.257 3.050 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccc(F)c(Cl)c1 ZINC000634955759 401388070 /nfs/dbraw/zinc/38/80/70/401388070.db2.gz PFKYSKSAJIDIPP-ZYHUDNBSSA-N 1 0 319.829 3.097 10 0 DGAERO Brc1cccc(C2(NCC34CC(C3)C[NH2+]4)CCC2)c1 ZINC000634993414 401397815 /nfs/dbraw/zinc/39/78/15/401397815.db2.gz UDHHFBGNMBFALL-UHFFFAOYSA-N 1 0 321.262 3.170 10 0 DGAERO c1cc(C[NH2+]CC2(c3ccccn3)CCC2)n(CC2CCC2)n1 ZINC000631135769 401405571 /nfs/dbraw/zinc/40/55/71/401405571.db2.gz POCSSEUXSAYYIR-UHFFFAOYSA-N 1 0 310.445 3.290 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3csc(C)c3C)[C@@H]2C1 ZINC000631142651 401406992 /nfs/dbraw/zinc/40/69/92/401406992.db2.gz NQJXOALCAZOIJG-UAGQMJEPSA-N 1 0 306.475 3.102 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3csc(C)c3C)[C@@H]2C1 ZINC000631142653 401407073 /nfs/dbraw/zinc/40/70/73/401407073.db2.gz NQJXOALCAZOIJG-USXIJHARSA-N 1 0 306.475 3.102 10 0 DGAERO O=C(Nc1ccc(Br)cc1)C12CCC[NH+](CCC1)C2 ZINC000635059120 401408853 /nfs/dbraw/zinc/40/88/53/401408853.db2.gz POSWQVVZOKTKAB-UHFFFAOYSA-N 1 0 323.234 3.264 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1ccncc1 ZINC000631220815 401429944 /nfs/dbraw/zinc/42/99/44/401429944.db2.gz BCMKFGZEESBNIB-PMPSAXMXSA-N 1 0 315.214 3.272 10 0 DGAERO c1nc(C2CC2)sc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000631244939 401436089 /nfs/dbraw/zinc/43/60/89/401436089.db2.gz WAPYRZUFYRCNJS-UHFFFAOYSA-N 1 0 300.427 3.383 10 0 DGAERO c1cn(-c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)cc2)cn1 ZINC000631253966 401438532 /nfs/dbraw/zinc/43/85/32/401438532.db2.gz MPVCSUGZZOKSHC-OALUTQOASA-N 1 0 311.429 3.310 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC[C@@H](O)C(F)F ZINC000631696786 401538313 /nfs/dbraw/zinc/53/83/13/401538313.db2.gz IBWHLESPWQCYEQ-PSASIEDQSA-N 1 0 306.422 3.416 10 0 DGAERO CCC(F)(F)C(C)(C)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000623401052 401508376 /nfs/dbraw/zinc/50/83/76/401508376.db2.gz PFWBNKSJNJNFRC-OAHLLOKOSA-N 1 0 315.404 3.225 10 0 DGAERO O[C@H](CC[NH2+][C@H]1CCc2cc(Br)ccc21)C(F)F ZINC000631698274 401539190 /nfs/dbraw/zinc/53/91/90/401539190.db2.gz UPVUDQIJYNVLHN-NWDGAFQWSA-N 1 0 320.177 3.042 10 0 DGAERO c1ccc2c(c1)O[C@@H](C[NH2+][C@H]1[C@@H]3CCO[C@@H]3C13CCC3)CS2 ZINC000631640549 401521331 /nfs/dbraw/zinc/52/13/31/401521331.db2.gz JAWWGMIDPFBCQN-PYTWLRIVSA-N 1 0 317.454 3.087 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@H]1CCSC1 ZINC000631701173 401539532 /nfs/dbraw/zinc/53/95/32/401539532.db2.gz VUVLGAFCRPAQKO-GHYVTOPFSA-N 1 0 310.260 3.182 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@H]3CCSC3)[C@H]21 ZINC000631663205 401528302 /nfs/dbraw/zinc/52/83/02/401528302.db2.gz WHDVOFBVRMFSEX-DVXMNORISA-N 1 0 310.260 3.182 10 0 DGAERO FC(F)(F)c1cc(CNC2CC[NH+](C3CC3)CC2)cs1 ZINC000623345125 401495610 /nfs/dbraw/zinc/49/56/10/401495610.db2.gz RUKPHDVGFHYFNV-UHFFFAOYSA-N 1 0 304.381 3.483 10 0 DGAERO c1ccc(Oc2cccnc2)c(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888920 401564722 /nfs/dbraw/zinc/56/47/22/401564722.db2.gz DFTWHZQBWNCQPW-APWZRJJASA-N 1 0 323.440 3.448 10 0 DGAERO c1ccc(Oc2cccnc2)c(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888923 401564805 /nfs/dbraw/zinc/56/48/05/401564805.db2.gz DFTWHZQBWNCQPW-VQIMIIECSA-N 1 0 323.440 3.448 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccsc1Br ZINC000623724544 401572212 /nfs/dbraw/zinc/57/22/12/401572212.db2.gz JITPIDJZHAHQOA-CKEKPRIKSA-N 1 0 304.253 3.412 10 0 DGAERO c1nc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)sc1-c1ccccc1 ZINC000623754085 401576506 /nfs/dbraw/zinc/57/65/06/401576506.db2.gz IYTRTIFMCSQYFY-LSDHHAIUSA-N 1 0 300.427 3.467 10 0 DGAERO c1ccc(COc2ccccc2C[NH2+][C@H]2CO[C@@H](C3CC3)C2)nc1 ZINC000623753325 401576741 /nfs/dbraw/zinc/57/67/41/401576741.db2.gz WPUBDNWAJCFVEW-UYAOXDASSA-N 1 0 324.424 3.318 10 0 DGAERO CC[C@@H]1CCCC[C@H]1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000628336873 401577637 /nfs/dbraw/zinc/57/76/37/401577637.db2.gz RCSNZNVGOPCQCN-CABCVRRESA-N 1 0 301.496 3.007 10 0 DGAERO c1nc(C2CC2)oc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000628200252 401548834 /nfs/dbraw/zinc/54/88/34/401548834.db2.gz DRPQGZJYGPEYLY-UHFFFAOYSA-N 1 0 311.429 3.438 10 0 DGAERO c1c(C[NH2+]CC2CCc3ccccc3CC2)nnn1C1CCC1 ZINC000623593667 401552254 /nfs/dbraw/zinc/55/22/54/401552254.db2.gz YVNAYTOAPCPYQH-UHFFFAOYSA-N 1 0 310.445 3.288 10 0 DGAERO Cc1nc(C)c(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000628225759 401553803 /nfs/dbraw/zinc/55/38/03/401553803.db2.gz MNWRWEYJYBVQSA-KDOFPFPSSA-N 1 0 313.445 3.434 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+]Cc1cccc3cccnc31)C2 ZINC000623601521 401554108 /nfs/dbraw/zinc/55/41/08/401554108.db2.gz HBWUUXCNJAPECI-IBGZPJMESA-N 1 0 304.393 3.466 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623601633 401554128 /nfs/dbraw/zinc/55/41/28/401554128.db2.gz KXGROIUBCYTXQU-FQEVSTJZSA-N 1 0 319.408 3.103 10 0 DGAERO Cc1nc(C)c(CNC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)o1 ZINC000628240934 401558709 /nfs/dbraw/zinc/55/87/09/401558709.db2.gz AZYSIKALNPZWLU-SFHVURJKSA-N 1 0 313.445 3.292 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000624172240 401634513 /nfs/dbraw/zinc/63/45/13/401634513.db2.gz KGBJJLYVKZGLSD-DOMZBBRYSA-N 1 0 317.260 3.365 10 0 DGAERO c1cc([C@@H]2CCCCN2c2nc3ccccc3n3cncc23)n[nH]1 ZINC000624209894 401639321 /nfs/dbraw/zinc/63/93/21/401639321.db2.gz VPVDCVWRKANNSQ-INIZCTEOSA-N 1 0 318.384 3.337 10 0 DGAERO Brc1ccc(C2(C[NH2+]Cc3cn[nH]c3)CCC2)cc1 ZINC000624214726 401639858 /nfs/dbraw/zinc/63/98/58/401639858.db2.gz BLDLLOBNPJRASI-UHFFFAOYSA-N 1 0 320.234 3.384 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]CC1COC1)CCS2 ZINC000624234146 401642525 /nfs/dbraw/zinc/64/25/25/401642525.db2.gz YLDRDOGAOMASGP-LBPRGKRZSA-N 1 0 314.248 3.222 10 0 DGAERO COCC(C)(C)C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000494100679 292197350 /nfs/dbraw/zinc/19/73/50/292197350.db2.gz YOXQJBYQTSTFSC-HOCLYGCPSA-N 1 0 310.507 3.393 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H](C)C[NH+](C)C)o1 ZINC000358517689 286082483 /nfs/dbraw/zinc/08/24/83/286082483.db2.gz CTDCHWQZWBRKCH-IPYPFGDCSA-N 1 0 307.438 3.021 10 0 DGAERO OCC[C@H]1CSCC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000358619307 286109611 /nfs/dbraw/zinc/10/96/11/286109611.db2.gz SBBQUEASADBBLW-ZDUSSCGKSA-N 1 0 322.861 3.188 10 0 DGAERO C[C@H](CSc1nnc(-c2ccccc2F)n1C1CC1)[NH+](C)C ZINC000358853967 286170213 /nfs/dbraw/zinc/17/02/13/286170213.db2.gz NKSMLNQOGKAYSB-LLVKDONJSA-N 1 0 320.437 3.461 10 0 DGAERO CC(C)n1c(SC[C@@H](C)[NH+](C)C)nc2ccccc2c1=O ZINC000358851509 286169560 /nfs/dbraw/zinc/16/95/60/286169560.db2.gz CLKYDDLSADNFNZ-GFCCVEGCSA-N 1 0 305.447 3.020 10 0 DGAERO Cc1ccc(C)c(OCc2nnc(SC[C@H](C)[NH+](C)C)o2)c1 ZINC000358865714 286172536 /nfs/dbraw/zinc/17/25/36/286172536.db2.gz YWYAGPPOGITVLH-ZDUSSCGKSA-N 1 0 321.446 3.308 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCc1cccnc1 ZINC000358910402 286184892 /nfs/dbraw/zinc/18/48/92/286184892.db2.gz CGQRTDIFNRAZPG-LJQANCHMSA-N 1 0 318.424 3.477 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2NCCC[NH+]1CCCC1 ZINC000358944040 286194332 /nfs/dbraw/zinc/19/43/32/286194332.db2.gz OXYTWPQGMPGGGN-IBGZPJMESA-N 1 0 324.472 3.325 10 0 DGAERO c1cn(CCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)cn1 ZINC000358924553 286188823 /nfs/dbraw/zinc/18/88/23/286188823.db2.gz DRYOTOSFBSVRSP-GOSISDBHSA-N 1 0 321.428 3.126 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000358991243 286208353 /nfs/dbraw/zinc/20/83/53/286208353.db2.gz XPKNYMULAMWDJA-MSOLQXFVSA-N 1 0 324.509 3.066 10 0 DGAERO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CCN2CC=CCC2)cc1 ZINC000359061693 286227380 /nfs/dbraw/zinc/22/73/80/286227380.db2.gz CTDLKNPTUKNQCJ-HKUYNNGSSA-N 1 0 300.446 3.006 10 0 DGAERO Cn1ccc([C@H]([NH2+]CC[C@@H]2CCCCO2)c2ccc(F)cc2)n1 ZINC000359242538 286267708 /nfs/dbraw/zinc/26/77/08/286267708.db2.gz QCOZKWBJQYFLDO-FUHWJXTLSA-N 1 0 317.408 3.197 10 0 DGAERO Cn1ccc([C@H]([NH2+]CCC2CCOCC2)c2ccc(F)cc2)n1 ZINC000359224180 286264227 /nfs/dbraw/zinc/26/42/27/286264227.db2.gz SGRZOTIUAKWVJX-GOSISDBHSA-N 1 0 317.408 3.055 10 0 DGAERO O[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CC1)C(F)F ZINC000359326220 286284742 /nfs/dbraw/zinc/28/47/42/286284742.db2.gz USIMXFUQOIEHAP-RYUDHWBXSA-N 1 0 320.177 3.116 10 0 DGAERO CC[C@H](C)[NH2+][C@H](CNC(=O)Cc1ccsc1C)c1ccco1 ZINC000359535863 286329612 /nfs/dbraw/zinc/32/96/12/286329612.db2.gz DAHWDHVNCIKIRA-SWLSCSKDSA-N 1 0 320.458 3.438 10 0 DGAERO c1ccc2c(c1)CC[C@H](C[NH+]1CCN(Cc3cccnc3)CC1)C2 ZINC000359588227 286342347 /nfs/dbraw/zinc/34/23/47/286342347.db2.gz GMCSOPHTKLHDOR-SFHVURJKSA-N 1 0 321.468 3.004 10 0 DGAERO c1ccc2c(c1)CC[C@@H](C[NH+]1CCC(O[C@@H]3CCOC3)CC1)C2 ZINC000359614453 286347065 /nfs/dbraw/zinc/34/70/65/286347065.db2.gz YZJNLFOOLHHRDU-OXQOHEQNSA-N 1 0 315.457 3.061 10 0 DGAERO CC(=O)N1CCC([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000359634329 286351090 /nfs/dbraw/zinc/35/10/90/286351090.db2.gz NHMGVTMYCLUUDE-INIZCTEOSA-N 1 0 322.836 3.154 10 0 DGAERO c1ccc2c(c1)CO[C@@]21CCCN(c2ccnc(C3CC3)n2)C1 ZINC000359851500 286386128 /nfs/dbraw/zinc/38/61/28/286386128.db2.gz XPLGXUZUSNHCQB-LJQANCHMSA-N 1 0 307.397 3.380 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nnc3n2CCCC3)C1(CC)CC ZINC000181835007 286395831 /nfs/dbraw/zinc/39/58/31/286395831.db2.gz YBPYTJVVVXZUBU-SOUVJXGZSA-N 1 0 320.481 3.249 10 0 DGAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1Cc2ccccc2CO1 ZINC000360411138 286477117 /nfs/dbraw/zinc/47/71/17/286477117.db2.gz NKXFTCWBDBVRLB-UHFFFAOYSA-N 1 0 322.408 3.370 10 0 DGAERO Cc1c2ccccc2oc1CNC(=O)NCCC[NH+]1CCCC1 ZINC000360872495 286545595 /nfs/dbraw/zinc/54/55/95/286545595.db2.gz MDHLRHCXXVHFDS-UHFFFAOYSA-N 1 0 315.417 3.026 10 0 DGAERO COCCC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000036094999 292346519 /nfs/dbraw/zinc/34/65/19/292346519.db2.gz KEHHXHQTDFWAQN-GOSISDBHSA-N 1 0 323.477 3.010 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CCCNC(=O)C1CCC1)CCCO2 ZINC000090185396 292367573 /nfs/dbraw/zinc/36/75/73/292367573.db2.gz POJQRXSKRGGLCI-QGZVFWFLSA-N 1 0 316.445 3.105 10 0 DGAERO c1c(N2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)n[nH]c1C1CC1 ZINC000361394053 286666526 /nfs/dbraw/zinc/66/65/26/286666526.db2.gz CTSYQMKOVJFXQH-QZTJIDSGSA-N 1 0 322.456 3.213 10 0 DGAERO CCC[C@H]1C[C@H]1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000361447451 286674116 /nfs/dbraw/zinc/67/41/16/286674116.db2.gz KYIAYRRKMLBEAX-WMLDXEAASA-N 1 0 304.434 3.139 10 0 DGAERO c1ccc(CN2CCC([NH2+]CCCC3CCOCC3)CC2)cc1 ZINC000361460583 286675844 /nfs/dbraw/zinc/67/58/44/286675844.db2.gz ZUMUQMUJZJXESF-UHFFFAOYSA-N 1 0 316.489 3.447 10 0 DGAERO C[C@@H](C(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1)C1C[NH2+]C1 ZINC000262565965 286743705 /nfs/dbraw/zinc/74/37/05/286743705.db2.gz RSAWQUDDDIZCMX-VXGBXAGGSA-N 1 0 306.837 3.248 10 0 DGAERO C/C(=C\C(=O)N1CCCC12CC[NH+](C)CC2)c1cccc(F)c1 ZINC000362391001 286810761 /nfs/dbraw/zinc/81/07/61/286810761.db2.gz XMJFWWOZTOIBCT-FYWRMAATSA-N 1 0 316.420 3.316 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCCCC(=O)C2)CC1 ZINC000362661847 286846650 /nfs/dbraw/zinc/84/66/50/286846650.db2.gz GNIBLMMFFNZOQX-KRWDZBQOSA-N 1 0 322.493 3.106 10 0 DGAERO c1nc(C2CCN(c3nc(-c4ccccc4)ns3)CC2)c[nH]1 ZINC000364279513 287006709 /nfs/dbraw/zinc/00/67/09/287006709.db2.gz NGAZSIPSLOOHBN-UHFFFAOYSA-N 1 0 311.414 3.312 10 0 DGAERO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000364305692 287010352 /nfs/dbraw/zinc/01/03/52/287010352.db2.gz LIHDVOZXXLJOMV-MUGJNUQGSA-N 1 0 315.457 3.326 10 0 DGAERO c1ccc([C@@H]([NH2+]C2CCC3(CC2)OCCO3)[C@H]2CCOC2)cc1 ZINC000364363809 287018378 /nfs/dbraw/zinc/01/83/78/287018378.db2.gz OXNYDNNFDQFZCS-FUHWJXTLSA-N 1 0 317.429 3.040 10 0 DGAERO C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CSCCS1 ZINC000364379277 287019944 /nfs/dbraw/zinc/01/99/44/287019944.db2.gz BBSARTOGVCZHLY-LXTVHRRPSA-N 1 0 301.521 3.020 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)CC2 ZINC000364767205 287059844 /nfs/dbraw/zinc/05/98/44/287059844.db2.gz FTHIHDSSQPADTH-MGPQQGTHSA-N 1 0 303.450 3.333 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(F)cc1Br ZINC000177929314 287067624 /nfs/dbraw/zinc/06/76/24/287067624.db2.gz KIOHFSDRNDYBFD-KOLCDFICSA-N 1 0 302.187 3.418 10 0 DGAERO C/C(=C\C(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000171775842 164638273 /nfs/dbraw/zinc/63/82/73/164638273.db2.gz LUPYDZZWWOCYOQ-FYWRMAATSA-N 1 0 316.420 3.316 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)n1 ZINC000171826789 164640694 /nfs/dbraw/zinc/64/06/94/164640694.db2.gz GATPUXMKXBAQAL-CYBMUJFWSA-N 1 0 303.431 3.235 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1 ZINC000174198574 164721231 /nfs/dbraw/zinc/72/12/31/164721231.db2.gz WJCRHWXTBMJWHA-XJKSGUPXSA-N 1 0 318.852 3.393 10 0 DGAERO CCSc1ccccc1[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180581339 164888630 /nfs/dbraw/zinc/88/86/30/164888630.db2.gz HQDJEBWDNBKOFM-STQMWFEESA-N 1 0 302.447 3.056 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2c(C)nn(C)c2C)C12CCCCC2 ZINC000181440898 164913926 /nfs/dbraw/zinc/91/39/26/164913926.db2.gz SKKUGUHOOKOMCG-QZTJIDSGSA-N 1 0 319.493 3.297 10 0 DGAERO CSCCCC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185343383 165000913 /nfs/dbraw/zinc/00/09/13/165000913.db2.gz LWFXAUAOJVOPDO-KRWDZBQOSA-N 1 0 320.502 3.156 10 0 DGAERO Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000185387458 165002893 /nfs/dbraw/zinc/00/28/93/165002893.db2.gz KKELKORGWTUIIR-HOCLYGCPSA-N 1 0 315.442 3.118 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)[C@@H]1COc2ccccc21 ZINC000185589433 165009106 /nfs/dbraw/zinc/00/91/06/165009106.db2.gz APVCVEXLDUFXQF-KCTSRDHCSA-N 1 0 319.351 3.153 10 0 DGAERO CC(=O)Oc1ccc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)cc1 ZINC000185647513 165011047 /nfs/dbraw/zinc/01/10/47/165011047.db2.gz RSPOQSCWXDHLLQ-FZKQIMNGSA-N 1 0 311.381 3.266 10 0 DGAERO c1ccc(-c2cnc(C[NH2+]C3Cc4ccccc4C3)nc2)cc1 ZINC000186064970 165026595 /nfs/dbraw/zinc/02/65/95/165026595.db2.gz SKKFAFFBWHREJX-UHFFFAOYSA-N 1 0 301.393 3.401 10 0 DGAERO CCc1onc(C)c1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000186223458 165033815 /nfs/dbraw/zinc/03/38/15/165033815.db2.gz PPWSHRVKSGKINI-AWEZNQCLSA-N 1 0 309.454 3.032 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1csc(C(C)C)n1)CC2 ZINC000186399413 165041637 /nfs/dbraw/zinc/04/16/37/165041637.db2.gz AMCGYAOAHTVLMD-RYUDHWBXSA-N 1 0 319.478 3.086 10 0 DGAERO C[C@@H](CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1ccccc1F ZINC000186491911 165046829 /nfs/dbraw/zinc/04/68/29/165046829.db2.gz PJPUZUZVFNZTSN-UONOGXRCSA-N 1 0 304.409 3.062 10 0 DGAERO C[C@@H](CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1ccccc1F ZINC000186491874 165047132 /nfs/dbraw/zinc/04/71/32/165047132.db2.gz PJPUZUZVFNZTSN-KBPBESRZSA-N 1 0 304.409 3.062 10 0 DGAERO O=C(c1ccc(Cl)cc1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186540375 165048551 /nfs/dbraw/zinc/04/85/51/165048551.db2.gz IMWRFTOWZLJGRO-LLVKDONJSA-N 1 0 313.228 3.350 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccoc3)no2)C1(CC)CC ZINC000187051818 165075529 /nfs/dbraw/zinc/07/55/29/165075529.db2.gz LUEJHCVMJMRDKM-KGLIPLIRSA-N 1 0 319.405 3.403 10 0 DGAERO c1ccc(OCCCCC[N@@H+]2CCCN(C3CC3)CC2)cc1 ZINC000187085474 165075579 /nfs/dbraw/zinc/07/55/79/165075579.db2.gz WZEBVDUYXLLUSG-UHFFFAOYSA-N 1 0 302.462 3.406 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000187293373 165085834 /nfs/dbraw/zinc/08/58/34/165085834.db2.gz GZHULFVYHAWTFF-UHFFFAOYSA-N 1 0 320.436 3.436 10 0 DGAERO CC[C@@]1(CO)CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000187581366 165095562 /nfs/dbraw/zinc/09/55/62/165095562.db2.gz MRXJRYPIHULDNZ-GOSISDBHSA-N 1 0 318.392 3.465 10 0 DGAERO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(F)c1 ZINC000187772834 165103671 /nfs/dbraw/zinc/10/36/71/165103671.db2.gz YJYOJZMVKAHCFZ-INIZCTEOSA-N 1 0 311.364 3.042 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[C@@](C)(c3ccccc3)C1)CC2 ZINC000188183345 165114611 /nfs/dbraw/zinc/11/46/11/165114611.db2.gz TYWSBBBHYMNELU-SQGPQFPESA-N 1 0 324.472 3.255 10 0 DGAERO O=C(C[C@H]1CCCc2ccccc21)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188756623 165135392 /nfs/dbraw/zinc/13/53/92/165135392.db2.gz WEFIZNCRIWVLNO-QGZVFWFLSA-N 1 0 320.436 3.416 10 0 DGAERO CCC(CC)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188984512 165144566 /nfs/dbraw/zinc/14/45/66/165144566.db2.gz VFRXLKDFEPJNCK-WMLDXEAASA-N 1 0 324.415 3.353 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000189038635 165146498 /nfs/dbraw/zinc/14/64/98/165146498.db2.gz SKIRZRUINVYWEQ-KBRIMQKVSA-N 1 0 304.409 3.095 10 0 DGAERO CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)[C@H]1CCCC[C@@H]1C ZINC000189255791 165155778 /nfs/dbraw/zinc/15/57/78/165155778.db2.gz CKNBEQUQLITFDP-GUYCJALGSA-N 1 0 302.422 3.476 10 0 DGAERO CC(C)NC(=O)CCN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000189485503 165164831 /nfs/dbraw/zinc/16/48/31/165164831.db2.gz DYHRHADCFZXIRK-CJNGLKHVSA-N 1 0 324.852 3.017 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)C2(Cc3ccccc3Cl)CC2)C1 ZINC000189716332 165174189 /nfs/dbraw/zinc/17/41/89/165174189.db2.gz HFCKHWNQMOMDPT-HNNXBMFYSA-N 1 0 320.864 3.263 10 0 DGAERO Cc1cccc2nc(C3CC[NH+](Cc4cnn(C)c4)CC3)oc21 ZINC000189808978 165178445 /nfs/dbraw/zinc/17/84/45/165178445.db2.gz NAJFBSIAVAQRQB-UHFFFAOYSA-N 1 0 310.401 3.249 10 0 DGAERO CC(C)[NH2+]CCN1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000189932400 165182413 /nfs/dbraw/zinc/18/24/13/165182413.db2.gz ZDWCKLWTRGGOAZ-HNNXBMFYSA-N 1 0 316.367 3.077 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(c2ncnc3c(C)csc32)C1 ZINC000189984269 165183846 /nfs/dbraw/zinc/18/38/46/165183846.db2.gz QJFNYWAVOUMCLH-CYBMUJFWSA-N 1 0 304.463 3.168 10 0 DGAERO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)CC1CC(O)C1 ZINC000190130335 165189386 /nfs/dbraw/zinc/18/93/86/165189386.db2.gz QBWNPRITLHWVII-CDWSIMAYSA-N 1 0 321.808 3.154 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000190164326 165191648 /nfs/dbraw/zinc/19/16/48/165191648.db2.gz PKYUJDADKLVBPJ-CQSZACIVSA-N 1 0 321.465 3.033 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000190164346 165191770 /nfs/dbraw/zinc/19/17/70/165191770.db2.gz PKYUJDADKLVBPJ-AWEZNQCLSA-N 1 0 321.465 3.033 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000190216941 165192981 /nfs/dbraw/zinc/19/29/81/165192981.db2.gz VJRNTNMFFPSZFW-AWEZNQCLSA-N 1 0 321.465 3.032 10 0 DGAERO c1ccc(N[C@@H]2CC[N@@H+](CC3CCC4(CC3)OCCO4)C2)cc1 ZINC000190293021 165196864 /nfs/dbraw/zinc/19/68/64/165196864.db2.gz GXNMHPIOFSKDDJ-GOSISDBHSA-N 1 0 316.445 3.106 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2oc(CC(C)C)nc2C)CC1 ZINC000190501324 165206119 /nfs/dbraw/zinc/20/61/19/165206119.db2.gz FLDAYRYBVXWINX-UHFFFAOYSA-N 1 0 321.465 3.033 10 0 DGAERO Cc1cccc(-c2noc(C[N@H+]3CCSC[C@H](C)C3)n2)c1 ZINC000190472494 165206155 /nfs/dbraw/zinc/20/61/55/165206155.db2.gz OAZBWKUVQBAYIE-CYBMUJFWSA-N 1 0 303.431 3.230 10 0 DGAERO CCc1n[nH]c(C2CC[NH+](CCSc3ccccc3)CC2)n1 ZINC000190655128 165210816 /nfs/dbraw/zinc/21/08/16/165210816.db2.gz XIPHANOYKUEDFI-UHFFFAOYSA-N 1 0 316.474 3.339 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000190729671 165213609 /nfs/dbraw/zinc/21/36/09/165213609.db2.gz VWRMPMDFYRHJRM-UHFFFAOYSA-N 1 0 313.445 3.158 10 0 DGAERO O=C(/C=C/c1cc2ccccc2o1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190738946 165213782 /nfs/dbraw/zinc/21/37/82/165213782.db2.gz ANCABDPTLYLKPB-FEAKQIBJSA-N 1 0 310.397 3.189 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccccc1-n1cccn1 ZINC000191053480 165226638 /nfs/dbraw/zinc/22/66/38/165226638.db2.gz KFJIGXSSFIYZFI-NVXWUHKLSA-N 1 0 313.445 3.464 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@@H](C)c3ccccc3)[C@H]2C1 ZINC000191094241 165230764 /nfs/dbraw/zinc/23/07/64/165230764.db2.gz MPLXAGKYNBWUJC-YSHGAJCASA-N 1 0 303.446 3.449 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(Cc2ccccc2F)CC1 ZINC000191126566 165230895 /nfs/dbraw/zinc/23/08/95/165230895.db2.gz QPZXQIJNIFYLFM-INIZCTEOSA-N 1 0 320.452 3.241 10 0 DGAERO Cc1cccc2c1OCC[C@H]2NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000191451309 165250376 /nfs/dbraw/zinc/25/03/76/165250376.db2.gz HAJFXEPTHSSBAP-QBYUYEEZSA-N 1 0 316.445 3.196 10 0 DGAERO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)CC1 ZINC000191537268 165256610 /nfs/dbraw/zinc/25/66/10/165256610.db2.gz NKVXFMLMCBOVJE-AWEZNQCLSA-N 1 0 322.399 3.013 10 0 DGAERO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191607736 165260594 /nfs/dbraw/zinc/26/05/94/165260594.db2.gz FCNIJJNXLGPPEQ-UHFFFAOYSA-N 1 0 317.477 3.293 10 0 DGAERO CC[NH+](CC)CCCN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000191603690 165261493 /nfs/dbraw/zinc/26/14/93/165261493.db2.gz GFXMJQPWCJMPMA-SFHVURJKSA-N 1 0 308.441 3.239 10 0 DGAERO Fc1cc(OCC[NH+]2CCC(c3cc[nH]n3)CC2)ccc1Cl ZINC000191978801 165277657 /nfs/dbraw/zinc/27/76/57/165277657.db2.gz KEXGTQFSMUYQRF-UHFFFAOYSA-N 1 0 323.799 3.461 10 0 DGAERO O=C1O[C@H](C[N@H+]2CC=C(c3ccccc3F)CC2)CC12CCC2 ZINC000192190789 165286797 /nfs/dbraw/zinc/28/67/97/165286797.db2.gz UTVQEGVVRGIDMQ-HNNXBMFYSA-N 1 0 315.388 3.401 10 0 DGAERO CCc1nc(CN2CCC(C[NH2+]CC=C(C)C)CC2)cs1 ZINC000192311423 165289210 /nfs/dbraw/zinc/28/92/10/165289210.db2.gz VICKJYINVUWEDV-UHFFFAOYSA-N 1 0 307.507 3.473 10 0 DGAERO Cn1c2ccc(C[NH2+]CC3(c4ccccc4)CC3)cc2sc1=O ZINC000192463133 165292740 /nfs/dbraw/zinc/29/27/40/165292740.db2.gz QVEODGLYRIQOKV-UHFFFAOYSA-N 1 0 324.449 3.421 10 0 DGAERO COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1F ZINC000192691312 165302734 /nfs/dbraw/zinc/30/27/34/165302734.db2.gz VDKUUUIIMXIYTG-GJZGRUSLSA-N 1 0 303.381 3.304 10 0 DGAERO COCc1nc2n(n1)CCC[C@H]2[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194503940 165348516 /nfs/dbraw/zinc/34/85/16/165348516.db2.gz PSKMUEIFWGYCCT-GDBMZVCRSA-N 1 0 314.433 3.043 10 0 DGAERO O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194896913 165358124 /nfs/dbraw/zinc/35/81/24/165358124.db2.gz BXGWFVQTVTXTTP-SJORKVTESA-N 1 0 318.848 3.140 10 0 DGAERO CC(C)Sc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195335409 165364587 /nfs/dbraw/zinc/36/45/87/165364587.db2.gz PXNFOELZHKZXPK-HNNXBMFYSA-N 1 0 304.459 3.107 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C2)n1 ZINC000195333484 165365686 /nfs/dbraw/zinc/36/56/86/165365686.db2.gz OCWTZZVFNDHWEP-OAHLLOKOSA-N 1 0 323.506 3.276 10 0 DGAERO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195318262 165365782 /nfs/dbraw/zinc/36/57/82/165365782.db2.gz ZXBUKFOAGAKRIJ-CYBMUJFWSA-N 1 0 318.804 3.315 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@H](c2nccs2)C1)c1ccc(F)cc1F ZINC000195340227 165367092 /nfs/dbraw/zinc/36/70/92/165367092.db2.gz OZEKHNUJYIPBOC-XHDPSFHLSA-N 1 0 324.396 3.334 10 0 DGAERO CCc1csc([C@@H]2CCCN(Cc3nnc(CC)o3)C2)n1 ZINC000195378866 165369091 /nfs/dbraw/zinc/36/90/91/165369091.db2.gz CJQUCMUAWAZQPS-LLVKDONJSA-N 1 0 306.435 3.031 10 0 DGAERO OCC[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000227570366 165387336 /nfs/dbraw/zinc/38/73/36/165387336.db2.gz QTIQUDQKNYALBH-GFCCVEGCSA-N 1 0 306.793 3.199 10 0 DGAERO C[C@H]([NH2+]Cc1c(F)ccc(Br)c1F)[C@H]1CCCO1 ZINC000230306731 165394985 /nfs/dbraw/zinc/39/49/85/165394985.db2.gz IVSWFRWGKALXJL-QPUJVOFHSA-N 1 0 320.177 3.384 10 0 DGAERO CCOc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)c1OC ZINC000245739546 165480897 /nfs/dbraw/zinc/48/08/97/165480897.db2.gz LNCCPKNJADCFPI-AWEZNQCLSA-N 1 0 324.852 3.027 10 0 DGAERO C[C@H]1C[N@H+](Cc2csc3ccccc23)C[C@H]1N1CCOCC1 ZINC000246323256 165515393 /nfs/dbraw/zinc/51/53/93/165515393.db2.gz DGHMIPHTLFURDP-WMLDXEAASA-N 1 0 316.470 3.054 10 0 DGAERO CN1CC[C@H]([NH2+]CC2=CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246814342 165541451 /nfs/dbraw/zinc/54/14/51/165541451.db2.gz PXWUXTQAUGUKTD-DLBZAZTESA-N 1 0 324.827 3.161 10 0 DGAERO COCC[C@@H](C)[NH2+]C[C@@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000247169087 165568769 /nfs/dbraw/zinc/56/87/69/165568769.db2.gz YJVHHGLXDMHQDC-CABCVRRESA-N 1 0 310.869 3.489 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000247331201 165578928 /nfs/dbraw/zinc/57/89/28/165578928.db2.gz VABMRJPEUCOKRT-FXNRXUADSA-N 1 0 316.420 3.172 10 0 DGAERO C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1n1ccnc1 ZINC000247332400 165579606 /nfs/dbraw/zinc/57/96/06/165579606.db2.gz GLBHAGKIGRILNV-QFBILLFUSA-N 1 0 321.428 3.152 10 0 DGAERO CSCCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247547538 165590201 /nfs/dbraw/zinc/59/02/01/165590201.db2.gz YMVNIHSCANBYPM-DOMZBBRYSA-N 1 0 312.504 3.000 10 0 DGAERO CC1(C)CN(Cc2ncc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000261606925 165721922 /nfs/dbraw/zinc/72/19/22/165721922.db2.gz BGOIQYBNUVCPGI-HNNXBMFYSA-N 1 0 301.459 3.369 10 0 DGAERO CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000261620300 165724131 /nfs/dbraw/zinc/72/41/31/165724131.db2.gz BZLZQCCFVFLBKI-YOEHRIQHSA-N 1 0 318.461 3.429 10 0 DGAERO C[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1cc2ccccc2o1 ZINC000261758335 165745399 /nfs/dbraw/zinc/74/53/99/165745399.db2.gz FQXARWGBLYPSEA-LRDDRELGSA-N 1 0 300.402 3.122 10 0 DGAERO C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[C@@H]([C@@H]2COCCN2)C1 ZINC000261846715 165755979 /nfs/dbraw/zinc/75/59/79/165755979.db2.gz AVRUGJOQWRZTOT-OXKKCRRXSA-N 1 0 306.494 3.092 10 0 DGAERO Cc1cc(-c2csc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])n2)c(C)o1 ZINC000261870167 165758601 /nfs/dbraw/zinc/75/86/01/165758601.db2.gz XTRLLAAPQBXHIF-VXGBXAGGSA-N 1 0 319.430 3.333 10 0 DGAERO C[C@@H](CSc1ccccc1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261909418 165762989 /nfs/dbraw/zinc/76/29/89/165762989.db2.gz XKOMQRNBBZCXQR-QLFBSQMISA-N 1 0 306.475 3.001 10 0 DGAERO C[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)[C@@H]1C[NH3+] ZINC000261975723 165773035 /nfs/dbraw/zinc/77/30/35/165773035.db2.gz QQJZCYUGAUNZIG-MLGOLLRUSA-N 1 0 303.381 3.040 10 0 DGAERO C[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC[C@@H]1c1ccccc1 ZINC000262409208 165800996 /nfs/dbraw/zinc/80/09/96/165800996.db2.gz SHCUPWRMWOAJRV-LAQRGFTBSA-N 1 0 300.446 3.027 10 0 DGAERO c1cc(-c2ccc(C[N@H+]3CC[C@H](Cc4ccncc4)C3)o2)n[nH]1 ZINC000365528895 287142530 /nfs/dbraw/zinc/14/25/30/287142530.db2.gz NEQAGMADILFCIZ-OAHLLOKOSA-N 1 0 308.385 3.129 10 0 DGAERO c1cc(-c2ccc(C[NH+]3CCC(OCC4CC4)CC3)o2)n[nH]1 ZINC000366026732 287201649 /nfs/dbraw/zinc/20/16/49/287201649.db2.gz WJWGZDNOCNVJFS-UHFFFAOYSA-N 1 0 301.390 3.061 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(c2ccccc2)CCC1 ZINC000128930768 196004322 /nfs/dbraw/zinc/00/43/22/196004322.db2.gz CYHAUBHQWNSMDQ-KRWDZBQOSA-N 1 0 302.462 3.201 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)c(F)c(C)c1 ZINC000245680384 287228878 /nfs/dbraw/zinc/22/88/78/287228878.db2.gz MLDGMNCSXVIEJV-CVEARBPZSA-N 1 0 304.409 3.141 10 0 DGAERO CC(C)(C)c1ccc(CCC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000129252061 196032894 /nfs/dbraw/zinc/03/28/94/196032894.db2.gz JXSLIOGEMJTFOL-JWTNVVGKSA-N 1 0 314.473 3.316 10 0 DGAERO COc1cc(C[NH2+]CCc2cc(C)c(O)c(C)c2)cc(OC)c1 ZINC000190394042 432152027 /nfs/dbraw/zinc/15/20/27/432152027.db2.gz NPMARIZZCXYMFL-UHFFFAOYSA-N 1 0 315.413 3.359 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(C)c1 ZINC000246630083 432150735 /nfs/dbraw/zinc/15/07/35/432150735.db2.gz YOACVAFJLRUOMI-GJZGRUSLSA-N 1 0 305.397 3.225 10 0 DGAERO CC(C)(C)C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000181936361 432151045 /nfs/dbraw/zinc/15/10/45/432151045.db2.gz JLBVJNBCNXBEBD-HZPDHXFCSA-N 1 0 316.424 3.499 10 0 DGAERO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000171678805 432159490 /nfs/dbraw/zinc/15/94/90/432159490.db2.gz LRBGNYCFXUTPCV-CABCVRRESA-N 1 0 321.490 3.469 10 0 DGAERO c1[nH]nc2cc(C[NH2+][C@H]3CCOC4(CCSCC4)C3)ccc12 ZINC000269311273 432159874 /nfs/dbraw/zinc/15/98/74/432159874.db2.gz GAEMKYBHOIEJCC-HNNXBMFYSA-N 1 0 317.458 3.097 10 0 DGAERO C[C@@H]1CN([C@H](C[NH2+]C[C@H]2CC=CCC2)c2cccs2)CCO1 ZINC000246738481 432160069 /nfs/dbraw/zinc/16/00/69/432160069.db2.gz PGQATHMXJLUYNT-IXDOHACOSA-N 1 0 320.502 3.456 10 0 DGAERO COCCOc1ccccc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136696339 432160020 /nfs/dbraw/zinc/16/00/20/432160020.db2.gz GHARXQDXFXYIHR-QGZVFWFLSA-N 1 0 319.445 3.293 10 0 DGAERO Cc1nc2ccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2o1 ZINC000246747813 432161348 /nfs/dbraw/zinc/16/13/48/432161348.db2.gz BBLYADXDMGCNDC-SMDDNHRTSA-N 1 0 316.405 3.083 10 0 DGAERO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246742328 432161472 /nfs/dbraw/zinc/16/14/72/432161472.db2.gz GGSFVECKBZQPQM-JQHSSLGASA-N 1 0 302.462 3.367 10 0 DGAERO Cc1[nH]nc(C(C)C)c1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000136756292 432161691 /nfs/dbraw/zinc/16/16/91/432161691.db2.gz OPMFIUJWOHVMCM-UHFFFAOYSA-N 1 0 309.373 3.484 10 0 DGAERO Fc1cccc(OCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000171641976 432153911 /nfs/dbraw/zinc/15/39/11/432153911.db2.gz UGNSWPKUWSKPPA-OAHLLOKOSA-N 1 0 315.392 3.034 10 0 DGAERO CCOCC[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000190421351 432156065 /nfs/dbraw/zinc/15/60/65/432156065.db2.gz ASGRLDHJJVMFQP-SNVBAGLBSA-N 1 0 302.212 3.145 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000182077043 432157668 /nfs/dbraw/zinc/15/76/68/432157668.db2.gz UYPOURQMNLZJBJ-ZWKOTPCHSA-N 1 0 310.445 3.135 10 0 DGAERO C[C@H](CNC(=O)C(C)(C)c1cccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000246732572 432158225 /nfs/dbraw/zinc/15/82/25/432158225.db2.gz HQUXJYXXQUHGMR-UONOGXRCSA-N 1 0 308.491 3.262 10 0 DGAERO Cc1nc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c(C)s1 ZINC000182089603 432158224 /nfs/dbraw/zinc/15/82/24/432158224.db2.gz MSIVPXPLFXOIST-GFCCVEGCSA-N 1 0 317.458 3.010 10 0 DGAERO Cc1ccc(CC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)s1 ZINC000182096036 432158764 /nfs/dbraw/zinc/15/87/64/432158764.db2.gz RNZUEROQVLNUNH-CQSZACIVSA-N 1 0 316.470 3.236 10 0 DGAERO CS[C@H](CO)[C@@H](C)[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182090255 432158911 /nfs/dbraw/zinc/15/89/11/432158911.db2.gz KYWNFVOPKXQBKU-KMUNFCNLSA-N 1 0 303.418 3.364 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246778824 432165655 /nfs/dbraw/zinc/16/56/55/432165655.db2.gz BDLWTKSQPMYTAN-RVKKMQEKSA-N 1 0 315.461 3.188 10 0 DGAERO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246800060 432166849 /nfs/dbraw/zinc/16/68/49/432166849.db2.gz PKYFWRPNHRXIHM-HZSPNIEDSA-N 1 0 320.399 3.298 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(Cl)s1 ZINC000246813584 432168245 /nfs/dbraw/zinc/16/82/45/432168245.db2.gz CEZNKKKFDOIPDV-BAEOLTKYSA-N 1 0 310.850 3.110 10 0 DGAERO CC(C)C[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190636656 432177337 /nfs/dbraw/zinc/17/73/37/432177337.db2.gz VHRDVBSATMWMET-AEFFLSMTSA-N 1 0 317.477 3.044 10 0 DGAERO c1ccc(CC[NH+]2CCC(Nc3ccnc(C4CC4)n3)CC2)cc1 ZINC000171838226 432177353 /nfs/dbraw/zinc/17/73/53/432177353.db2.gz IMBBLHHPAYPRTM-UHFFFAOYSA-N 1 0 322.456 3.473 10 0 DGAERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(Br)s1 ZINC000190663091 432180217 /nfs/dbraw/zinc/18/02/17/432180217.db2.gz MMLVOZLZXUYUTD-SECBINFHSA-N 1 0 320.252 3.314 10 0 DGAERO CCC1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000137148310 432172399 /nfs/dbraw/zinc/17/23/99/432172399.db2.gz SCYCUUUEDLBHPM-ODZFXCKXSA-N 1 0 307.482 3.081 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000246937486 432182338 /nfs/dbraw/zinc/18/23/38/432182338.db2.gz NBILVOAGIGVXHX-DJIMGWMZSA-N 1 0 312.457 3.238 10 0 DGAERO c1cc(N2CCC(CCC[NH+]3CCCC3)CC2)nc(C2CC2)n1 ZINC000129672004 196067119 /nfs/dbraw/zinc/06/71/19/196067119.db2.gz DRLNNKZVXBMDFX-UHFFFAOYSA-N 1 0 314.477 3.446 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)n1 ZINC000171826792 432175806 /nfs/dbraw/zinc/17/58/06/432175806.db2.gz GATPUXMKXBAQAL-ZDUSSCGKSA-N 1 0 303.431 3.235 10 0 DGAERO C[C@H](c1cccc(O)c1)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000171939373 432184107 /nfs/dbraw/zinc/18/41/07/432184107.db2.gz RWWJCYLCYPCKEN-LLVKDONJSA-N 1 0 320.339 3.302 10 0 DGAERO Cn1c2ccccc2nc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246956799 432185062 /nfs/dbraw/zinc/18/50/62/432185062.db2.gz UVECSHMEHBOSHS-YJBOKZPZSA-N 1 0 324.472 3.022 10 0 DGAERO COc1cccc([C@H]2CN(C[C@H](O)CC3CCCC3)CCO2)c1 ZINC000190729321 432185635 /nfs/dbraw/zinc/18/56/35/432185635.db2.gz ZHULLTNGCABJPY-IEBWSBKVSA-N 1 0 319.445 3.010 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000246979592 432186952 /nfs/dbraw/zinc/18/69/52/432186952.db2.gz KTNYDFSAHWMYLQ-CVEARBPZSA-N 1 0 319.449 3.391 10 0 DGAERO O=C(C1CCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246990156 432188204 /nfs/dbraw/zinc/18/82/04/432188204.db2.gz KRTABDWJUQWZID-RBUKOAKNSA-N 1 0 312.457 3.300 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)NCc1ccc(COC)cc1 ZINC000150746079 432188545 /nfs/dbraw/zinc/18/85/45/432188545.db2.gz NMCFVFYPYDOWFJ-SFHVURJKSA-N 1 0 318.461 3.104 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N2[C@H](C)COC[C@H]2C)cc1)C(C)C ZINC000247006320 432190478 /nfs/dbraw/zinc/19/04/78/432190478.db2.gz NNYNUOCYRLZXQR-HZPDHXFCSA-N 1 0 318.461 3.166 10 0 DGAERO O=C(c1ccco1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247018197 432192256 /nfs/dbraw/zinc/19/22/56/432192256.db2.gz MQJZZEUBMRTWII-QZTJIDSGSA-N 1 0 324.424 3.406 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)CCc2ccccc2F)C1 ZINC000247055936 432198781 /nfs/dbraw/zinc/19/87/81/432198781.db2.gz IKONWYDMTGIEBC-RKVPGOIHSA-N 1 0 320.452 3.239 10 0 DGAERO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)C2CCCC2)c1C ZINC000172168305 432199158 /nfs/dbraw/zinc/19/91/58/432199158.db2.gz KXMFQFJARODKPQ-DGCLKSJQSA-N 1 0 320.433 3.158 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000247034742 432193507 /nfs/dbraw/zinc/19/35/07/432193507.db2.gz HVVHATWDOYNNDJ-CXAGYDPISA-N 1 0 324.415 3.132 10 0 DGAERO CCOCCC1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCCC1 ZINC000247035588 432194255 /nfs/dbraw/zinc/19/42/55/432194255.db2.gz ZZMZOONSCWJSFM-ZACQAIPSSA-N 1 0 322.493 3.010 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000247034769 432194659 /nfs/dbraw/zinc/19/46/59/432194659.db2.gz HVVHATWDOYNNDJ-SUMWQHHRSA-N 1 0 324.415 3.132 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(F)cc1 ZINC000172153279 432200087 /nfs/dbraw/zinc/20/00/87/432200087.db2.gz PCLJOJBZXKOTFI-KRWDZBQOSA-N 1 0 321.440 3.232 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCSc2ccccc2F)C1 ZINC000247040891 432195404 /nfs/dbraw/zinc/19/54/04/432195404.db2.gz IAAWFGPXLNROKZ-DZGCQCFKSA-N 1 0 324.465 3.153 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000247047068 432195465 /nfs/dbraw/zinc/19/54/65/432195465.db2.gz GWVFIGCVMDKUCE-FZMZJTMJSA-N 1 0 318.804 3.395 10 0 DGAERO Cc1cc(CCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)s1 ZINC000247041479 432195945 /nfs/dbraw/zinc/19/59/45/432195945.db2.gz UQXHUTYQPJFESL-CXAGYDPISA-N 1 0 320.502 3.383 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000247047089 432196398 /nfs/dbraw/zinc/19/63/98/432196398.db2.gz GWVFIGCVMDKUCE-RISCZKNCSA-N 1 0 318.804 3.395 10 0 DGAERO C[C@H](CCc1ccccc1F)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247043325 432196511 /nfs/dbraw/zinc/19/65/11/432196511.db2.gz YARSKFRFPQBRRT-BFYDXBDKSA-N 1 0 318.436 3.090 10 0 DGAERO CCCOc1ccc(OCC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000247047361 432196820 /nfs/dbraw/zinc/19/68/20/432196820.db2.gz VQAJIJPSXINJIZ-IRXDYDNUSA-N 1 0 320.477 3.269 10 0 DGAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccs2)c1 ZINC000182540248 432201074 /nfs/dbraw/zinc/20/10/74/432201074.db2.gz MTHGPUVOHFGUFJ-DOMZBBRYSA-N 1 0 319.426 3.041 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)N(C)Cc1cccc(F)c1 ZINC000172169915 432201236 /nfs/dbraw/zinc/20/12/36/432201236.db2.gz WICKHFFLMDMPPH-ZIAGYGMSSA-N 1 0 306.425 3.341 10 0 DGAERO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCCC1 ZINC000172178446 432202145 /nfs/dbraw/zinc/20/21/45/432202145.db2.gz ZMGQKMQUJRLEJY-GDBMZVCRSA-N 1 0 319.449 3.294 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C(C)(C)C)CC2)C1 ZINC000172150869 432200456 /nfs/dbraw/zinc/20/04/56/432200456.db2.gz LJQFDSUFQYWFFZ-HNNXBMFYSA-N 1 0 309.498 3.186 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)c(Cl)c1 ZINC000247074495 432200512 /nfs/dbraw/zinc/20/05/12/432200512.db2.gz WBIRXVRYLBDJCB-STQMWFEESA-N 1 0 310.800 3.178 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c(F)c1 ZINC000130465505 196085060 /nfs/dbraw/zinc/08/50/60/196085060.db2.gz XYEUZBXHRRACNY-YVEFUNNKSA-N 1 0 319.376 3.227 10 0 DGAERO C[C@@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)O1 ZINC000130571369 196092460 /nfs/dbraw/zinc/09/24/60/196092460.db2.gz XAAOLDXXQPWJKO-PBHICJAKSA-N 1 0 302.418 3.179 10 0 DGAERO COCc1ccc([C@H]2CCC[N@@H+]2C[C@](C)(O)c2ccccc2)o1 ZINC000130804634 196111734 /nfs/dbraw/zinc/11/17/34/196111734.db2.gz GATYCGPFASEZIO-MJGOQNOKSA-N 1 0 315.413 3.471 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC[N@@H+]1C ZINC000247241949 432215852 /nfs/dbraw/zinc/21/58/52/432215852.db2.gz DIUPHFRQJFUIIY-YYQUZTFQSA-N 1 0 320.864 3.385 10 0 DGAERO C[N@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172289904 432207313 /nfs/dbraw/zinc/20/73/13/432207313.db2.gz VXVRKRPMXKXKGU-LJQANCHMSA-N 1 0 322.456 3.066 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@H](C(N)=O)C1 ZINC000190995919 432208897 /nfs/dbraw/zinc/20/88/97/432208897.db2.gz UNOOPRKUYZURTO-FZMZJTMJSA-N 1 0 314.351 3.148 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc2cccnc21 ZINC000247179564 432209026 /nfs/dbraw/zinc/20/90/26/432209026.db2.gz BHJOKQPUQGNDLM-CVEARBPZSA-N 1 0 324.428 3.325 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)c2ccc(C)cc2)o1 ZINC000182588946 432209213 /nfs/dbraw/zinc/20/92/13/432209213.db2.gz GYQYBIYLSQGTKI-HNNXBMFYSA-N 1 0 321.442 3.411 10 0 DGAERO Cc1ccc(N2CCC[N@@H+]([C@H](C)c3cccc(F)c3)CC2)nn1 ZINC000247174951 432209755 /nfs/dbraw/zinc/20/97/55/432209755.db2.gz NCEJVBMYZRZMLK-OAHLLOKOSA-N 1 0 314.408 3.197 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000247203497 432210560 /nfs/dbraw/zinc/21/05/60/432210560.db2.gz LRSHISLSGWNMHG-RISCZKNCSA-N 1 0 312.335 3.014 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc2ccn(C)c21 ZINC000191001543 432210630 /nfs/dbraw/zinc/21/06/30/432210630.db2.gz IBISRNHRXUOOBR-CQSZACIVSA-N 1 0 314.433 3.174 10 0 DGAERO Cc1ccc(CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000247227195 432213242 /nfs/dbraw/zinc/21/32/42/432213242.db2.gz MNNZBEUEKJTYSW-AEFFLSMTSA-N 1 0 300.446 3.013 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(C2CCCC2)n1 ZINC000247227807 432213598 /nfs/dbraw/zinc/21/35/98/432213598.db2.gz MOZNWMYNUAUTQI-CJNGLKHVSA-N 1 0 305.491 3.469 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000247218085 432213886 /nfs/dbraw/zinc/21/38/86/432213886.db2.gz YHMBHGQZQJYXQI-DLBZAZTESA-N 1 0 319.836 3.043 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000151063341 432216088 /nfs/dbraw/zinc/21/60/88/432216088.db2.gz ZKCBOLJLCLVQAO-LBPRGKRZSA-N 1 0 306.475 3.146 10 0 DGAERO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000247243474 432214473 /nfs/dbraw/zinc/21/44/73/432214473.db2.gz ZDIMDCQMLLXZFM-VGWMRTNUSA-N 1 0 305.466 3.219 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC[N@@H+]1C ZINC000247250558 432215151 /nfs/dbraw/zinc/21/51/51/432215151.db2.gz DQLVVQNQSJIHNQ-UXOAXIEHSA-N 1 0 322.399 3.009 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc2ccccc2c1 ZINC000247236861 432215528 /nfs/dbraw/zinc/21/55/28/432215528.db2.gz MVZCIPIVFGJTDS-KXBFYZLASA-N 1 0 308.425 3.077 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000247245370 432215731 /nfs/dbraw/zinc/21/57/31/432215731.db2.gz ZENHWHNBHPRFNN-YOEHRIQHSA-N 1 0 306.425 3.361 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@H]2CCCOc3ccc(C)cc32)CC1 ZINC000151061900 432215792 /nfs/dbraw/zinc/21/57/92/432215792.db2.gz XWLYGZLDXYDVSH-SFHVURJKSA-N 1 0 316.445 3.057 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191146299 432227437 /nfs/dbraw/zinc/22/74/37/432227437.db2.gz LHOGPZXIYNJALX-GFCCVEGCSA-N 1 0 317.481 3.190 10 0 DGAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc(Cl)c1 ZINC000247404672 432227539 /nfs/dbraw/zinc/22/75/39/432227539.db2.gz PQCZEBIDJVFWHB-XEZPLFJOSA-N 1 0 321.852 3.279 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC2(CC2)c2ccccc21 ZINC000172475512 432216939 /nfs/dbraw/zinc/21/69/39/432216939.db2.gz DNMARCLVMLQTJV-OAHLLOKOSA-N 1 0 315.461 3.224 10 0 DGAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC2(C)CCC2)C1 ZINC000247256418 432217248 /nfs/dbraw/zinc/21/72/48/432217248.db2.gz UYKJUHFXKBXHHG-DLBZAZTESA-N 1 0 321.509 3.473 10 0 DGAERO C[C@@H](NC(=O)NCC1(C)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182695423 432218268 /nfs/dbraw/zinc/21/82/68/432218268.db2.gz ZVQFNFRDBBVULI-HUUCEWRRSA-N 1 0 307.482 3.129 10 0 DGAERO CC[C@H](CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000247284380 432219058 /nfs/dbraw/zinc/21/90/58/432219058.db2.gz KLRVPBBTGHHBNE-NUJGCVRESA-N 1 0 302.462 3.415 10 0 DGAERO Cc1nc(CN2CCC[N@@H+](C3CCCC3)CC2)nc2ccccc12 ZINC000172580742 432222377 /nfs/dbraw/zinc/22/23/77/432222377.db2.gz WRXKWVNUCHWXHG-UHFFFAOYSA-N 1 0 324.472 3.389 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)[C@H](C)SCc2ccccc2)[C@@H](C)C1 ZINC000247342412 432222705 /nfs/dbraw/zinc/22/27/05/432222705.db2.gz NQHJXINKHTWMGY-ZOBUZTSGSA-N 1 0 320.502 3.153 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000172613232 432223867 /nfs/dbraw/zinc/22/38/67/432223867.db2.gz QRLVZIRGZQAHQD-AWEZNQCLSA-N 1 0 314.351 3.163 10 0 DGAERO CCCn1c(C)cc(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000131895173 196208027 /nfs/dbraw/zinc/20/80/27/196208027.db2.gz YONJTOFXEAQEGJ-PBHICJAKSA-N 1 0 319.493 3.112 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCCCC2)cc1F ZINC000132010147 196218789 /nfs/dbraw/zinc/21/87/89/196218789.db2.gz CIQRFFPJYZOOQS-ZIAGYGMSSA-N 1 0 322.424 3.276 10 0 DGAERO CCCCNC(=O)C1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000132186276 196233234 /nfs/dbraw/zinc/23/32/34/196233234.db2.gz SNPMDXIADNINEU-QGZVFWFLSA-N 1 0 316.489 3.494 10 0 DGAERO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000132259274 196240304 /nfs/dbraw/zinc/24/03/04/196240304.db2.gz PGYCDCSBYOYBEW-HKUYNNGSSA-N 1 0 316.489 3.349 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000132317004 196245321 /nfs/dbraw/zinc/24/53/21/196245321.db2.gz XDBOWMRQDKTOAS-AEFFLSMTSA-N 1 0 324.472 3.283 10 0 DGAERO C[C@H](C[NH2+]CCCN1CCCCCC1=O)Cc1ccccc1 ZINC000132902927 196294237 /nfs/dbraw/zinc/29/42/37/196294237.db2.gz RLMCCKMDIQEMOS-KRWDZBQOSA-N 1 0 302.462 3.248 10 0 DGAERO CN1C[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)CCC1=O ZINC000132997480 196303226 /nfs/dbraw/zinc/30/32/26/196303226.db2.gz AYCOWJKREXIQIY-RBUKOAKNSA-N 1 0 308.425 3.181 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)C(c1ccccc1)c1ccccc1 ZINC000133012004 196304560 /nfs/dbraw/zinc/30/45/60/196304560.db2.gz MOXKJQCFWITRQP-APWZRJJASA-N 1 0 322.452 3.417 10 0 DGAERO Cc1cc(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1C1CC1 ZINC000133202117 196320921 /nfs/dbraw/zinc/32/09/21/196320921.db2.gz RUBBGFJOYRFMDR-DYVFJYSZSA-N 1 0 317.477 3.037 10 0 DGAERO C[C@@H]1CCCCN1c1cc(N2CCOCC2)c2ccccc2[nH+]1 ZINC000253495302 287278987 /nfs/dbraw/zinc/27/89/87/287278987.db2.gz XPGCRPBHTOFTNR-OAHLLOKOSA-N 1 0 311.429 3.450 10 0 DGAERO Clc1cnn([C@@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)c1 ZINC000290906391 222009711 /nfs/dbraw/zinc/00/97/11/222009711.db2.gz MOMJMEZCJALUEY-MRXNPFEDSA-N 1 0 315.804 3.259 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)CS(C)(=O)=O ZINC000162330977 228256710 /nfs/dbraw/zinc/25/67/10/228256710.db2.gz OAPXWLODSWKNLV-UWVGGRQHSA-N 1 0 324.273 3.325 10 0 DGAERO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCC1(C)CCC1 ZINC000174999147 228295480 /nfs/dbraw/zinc/29/54/80/228295480.db2.gz RUZYCASRCHFAFZ-UHFFFAOYSA-N 1 0 321.440 3.089 10 0 DGAERO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000175780933 228305701 /nfs/dbraw/zinc/30/57/01/228305701.db2.gz PNTUJKMSTPVINT-UHFFFAOYSA-N 1 0 307.463 3.396 10 0 DGAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@@H]1C1CC1 ZINC000176939245 228321984 /nfs/dbraw/zinc/32/19/84/228321984.db2.gz WXVKZIXOWJNZOJ-IPMKNSEASA-N 1 0 312.457 3.203 10 0 DGAERO Cc1ccc(OCCC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1C ZINC000177275924 228328388 /nfs/dbraw/zinc/32/83/88/228328388.db2.gz KOOKRCVVLBCTIX-OAHLLOKOSA-N 1 0 317.351 3.071 10 0 DGAERO O=C(CCc1ccoc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177567204 228331991 /nfs/dbraw/zinc/33/19/91/228331991.db2.gz QPQCAADCTLANCE-UHFFFAOYSA-N 1 0 312.413 3.124 10 0 DGAERO c1sc(Nc2ccccc2)nc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178286099 228339202 /nfs/dbraw/zinc/33/92/02/228339202.db2.gz LMZGXFALXVLOOW-MRXNPFEDSA-N 1 0 314.458 3.167 10 0 DGAERO COCCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1OC ZINC000187575156 228434332 /nfs/dbraw/zinc/43/43/32/228434332.db2.gz PBULLNVQCKXGBY-LLVKDONJSA-N 1 0 316.239 3.362 10 0 DGAERO OCCC1(C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000188056793 228448914 /nfs/dbraw/zinc/44/89/14/228448914.db2.gz KUOUDECXEORJTP-AWEZNQCLSA-N 1 0 310.235 3.189 10 0 DGAERO CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1nccs1 ZINC000130424413 292634605 /nfs/dbraw/zinc/63/46/05/292634605.db2.gz PZLGNLJQIRUPMI-ZIAGYGMSSA-N 1 0 309.479 3.221 10 0 DGAERO c1[nH]nc2cc(C[N@@H+]3CC[C@H](n4cnc5c4CCCC5)C3)ccc12 ZINC000299750938 229393331 /nfs/dbraw/zinc/39/33/31/229393331.db2.gz OVFRLGKEZULNNA-INIZCTEOSA-N 1 0 321.428 3.085 10 0 DGAERO CCC[C@@H](O)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000131079684 292646810 /nfs/dbraw/zinc/64/68/10/292646810.db2.gz LAXSZOSALUWECD-GXTWGEPZSA-N 1 0 301.377 3.360 10 0 DGAERO CC1([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCOCC1 ZINC000131143130 292648308 /nfs/dbraw/zinc/64/83/08/292648308.db2.gz LAJDCFOTTXDGKJ-UHFFFAOYSA-N 1 0 303.324 3.286 10 0 DGAERO c1ccc(COc2cc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)ncn2)cc1 ZINC000413061271 230123818 /nfs/dbraw/zinc/12/38/18/230123818.db2.gz NADXHESQZPUFJP-IRXDYDNUSA-N 1 0 324.428 3.094 10 0 DGAERO Cc1csc2nc(C)nc(N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)c12 ZINC000302294685 230209451 /nfs/dbraw/zinc/20/94/51/230209451.db2.gz OGEQDKGHQIOXHN-ZWNOBZJWSA-N 1 0 304.463 3.449 10 0 DGAERO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(OC(F)(F)F)cn2)C1 ZINC000302574144 230304268 /nfs/dbraw/zinc/30/42/68/230304268.db2.gz QLSGTWPHSSGRLL-QWRGUYRKSA-N 1 0 303.328 3.265 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000302576025 230305877 /nfs/dbraw/zinc/30/58/77/230305877.db2.gz CPNVRKXISSUEHI-ZWNOBZJWSA-N 1 0 316.214 3.229 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000036076441 263513518 /nfs/dbraw/zinc/51/35/18/263513518.db2.gz DPPHFNZOVKDUJG-JTQLQIEISA-N 1 0 303.233 3.454 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2cc(C)cc(C)c2)C12CCOCC2 ZINC000186353517 263656058 /nfs/dbraw/zinc/65/60/58/263656058.db2.gz YOPHLHMXMVJWMX-RTBURBONSA-N 1 0 317.473 3.410 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1 ZINC000189020951 263708439 /nfs/dbraw/zinc/70/84/39/263708439.db2.gz PDNUSZUXRKCURE-VQIMIIECSA-N 1 0 313.441 3.300 10 0 DGAERO c1[nH+]cn2cc(-c3nc(-c4ccc5c(n4)CCCC5)no3)ccc12 ZINC000346955483 264126931 /nfs/dbraw/zinc/12/69/31/264126931.db2.gz FDVJFKKTCGAKKR-UHFFFAOYSA-N 1 0 317.352 3.325 10 0 DGAERO C(=C/c1ccccc1)\CN1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347386036 264212384 /nfs/dbraw/zinc/21/23/84/264212384.db2.gz AJFLGVJTFCCDGV-ZGBFETHSSA-N 1 0 314.473 3.277 10 0 DGAERO c1ccc(CC[N@@H+](CC[C@H]2CCCCO2)[C@H]2CCOC2)cc1 ZINC000347458269 264223911 /nfs/dbraw/zinc/22/39/11/264223911.db2.gz FKZAORZXMRURGM-RBUKOAKNSA-N 1 0 303.446 3.279 10 0 DGAERO CC[C@@H](C)[N@H+](CCO)Cc1ccc(Br)c(F)c1 ZINC000347468552 264226043 /nfs/dbraw/zinc/22/60/43/264226043.db2.gz FQDFWDOXYBXOEC-SNVBAGLBSA-N 1 0 304.203 3.181 10 0 DGAERO c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000347919679 264306077 /nfs/dbraw/zinc/30/60/77/264306077.db2.gz KHNNBZITGBYSCX-PBHICJAKSA-N 1 0 310.397 3.363 10 0 DGAERO CCCc1ncc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000172703433 432228909 /nfs/dbraw/zinc/22/89/09/432228909.db2.gz LALNBSFHNASUBT-CQSZACIVSA-N 1 0 317.458 3.128 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)O2 ZINC000353277727 265371710 /nfs/dbraw/zinc/37/17/10/265371710.db2.gz NUQMWXJYWLGNEB-LTIDMASMSA-N 1 0 317.429 3.011 10 0 DGAERO CC[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1CC)c1nccs1 ZINC000247412695 432229156 /nfs/dbraw/zinc/22/91/56/432229156.db2.gz SXGZJRQZPZCVGM-UONOGXRCSA-N 1 0 324.494 3.158 10 0 DGAERO Cc1c(Br)cccc1C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191169676 432230918 /nfs/dbraw/zinc/23/09/18/432230918.db2.gz WRMGWKMYGNFCOC-GHMZBOCLSA-N 1 0 312.251 3.491 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc(F)ccc2s1 ZINC000247470878 432231406 /nfs/dbraw/zinc/23/14/06/432231406.db2.gz RQIVCECPAKZIBY-RISCZKNCSA-N 1 0 318.417 3.349 10 0 DGAERO Fc1cccc(Br)c1C[NH2+]CC[C@@H]1CCOC1 ZINC000354659801 265837616 /nfs/dbraw/zinc/83/76/16/265837616.db2.gz VHWYLFUMBABEKJ-SNVBAGLBSA-N 1 0 302.187 3.104 10 0 DGAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247467878 432231899 /nfs/dbraw/zinc/23/18/99/432231899.db2.gz RQNXURHNARVOEW-YDHLFZDLSA-N 1 0 324.852 3.048 10 0 DGAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000191187516 432232127 /nfs/dbraw/zinc/23/21/27/432232127.db2.gz QENCIZUZCUHNST-KFWWJZLASA-N 1 0 309.356 3.398 10 0 DGAERO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000355207617 266000811 /nfs/dbraw/zinc/00/08/11/266000811.db2.gz FSIVZXCZLQJXAV-UONOGXRCSA-N 1 0 317.458 3.387 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)cn1 ZINC000355244096 266014286 /nfs/dbraw/zinc/01/42/86/266014286.db2.gz XWIMOGFRDOOXDQ-QZTJIDSGSA-N 1 0 311.429 3.121 10 0 DGAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000356259154 266335123 /nfs/dbraw/zinc/33/51/23/266335123.db2.gz ABXUUHTZWRAMLQ-WDSOQIARSA-N 1 0 301.430 3.382 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000247455926 432232372 /nfs/dbraw/zinc/23/23/72/432232372.db2.gz QQJGBCFULNTJEV-BBRMVZONSA-N 1 0 308.853 3.451 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000182828105 432233073 /nfs/dbraw/zinc/23/30/73/432233073.db2.gz DVENNQSRBIVSFG-SFHVURJKSA-N 1 0 301.409 3.428 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000247490448 432236655 /nfs/dbraw/zinc/23/66/55/432236655.db2.gz UFVNXKRVZYCVEK-INWMFGNUSA-N 1 0 322.399 3.059 10 0 DGAERO Cc1cc(C)n(-c2ccc(CN3CC[N@@H+]4CCCC[C@@H]4C3)cc2)n1 ZINC000172802243 432236919 /nfs/dbraw/zinc/23/69/19/432236919.db2.gz ZZAABMMRSLMHGW-HXUWFJFHSA-N 1 0 324.472 3.159 10 0 DGAERO CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000247521909 432238233 /nfs/dbraw/zinc/23/82/33/432238233.db2.gz WMJIRIUWROOGIQ-LSDHHAIUSA-N 1 0 313.445 3.216 10 0 DGAERO Cc1nc2ccccc2cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247528295 432239597 /nfs/dbraw/zinc/23/95/97/432239597.db2.gz ZPIDKWQEPJFOKD-ACJLOTCBSA-N 1 0 311.429 3.002 10 0 DGAERO Cc1cc(C)c([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000151341530 432239666 /nfs/dbraw/zinc/23/96/66/432239666.db2.gz JPHCUAOTOTYYSG-MSOLQXFVSA-N 1 0 304.478 3.109 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247546552 432239859 /nfs/dbraw/zinc/23/98/59/432239859.db2.gz YLONFLIRPOJKOV-BQFCYCMXSA-N 1 0 302.462 3.369 10 0 DGAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172862678 432240804 /nfs/dbraw/zinc/24/08/04/432240804.db2.gz PWZCQZILJXHEFY-QZTJIDSGSA-N 1 0 304.478 3.193 10 0 DGAERO Cc1cc(C)n(-c2ccc(CN3C[C@@H]4CCC[N@H+]4C[C@H]3C)cc2)n1 ZINC000247553420 432241778 /nfs/dbraw/zinc/24/17/78/432241778.db2.gz ZLXIIFDJVOEVEF-XLIONFOSSA-N 1 0 324.472 3.158 10 0 DGAERO COc1ccc(-c2nc(C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)co2)cc1 ZINC000191266226 432242925 /nfs/dbraw/zinc/24/29/25/432242925.db2.gz BFARNNHMMBOFHT-STQMWFEESA-N 1 0 316.401 3.084 10 0 DGAERO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccn1C ZINC000182940248 432243040 /nfs/dbraw/zinc/24/30/40/432243040.db2.gz VHSIMMCLBJHGHD-UXDRXVOSSA-N 1 0 324.472 3.266 10 0 DGAERO CC(C)(C)[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000247601887 432243424 /nfs/dbraw/zinc/24/34/24/432243424.db2.gz UULOVKNHNUXLGQ-DLBZAZTESA-N 1 0 315.461 3.263 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000151429969 432245901 /nfs/dbraw/zinc/24/59/01/432245901.db2.gz FLZATBKNUDRZQO-OAHLLOKOSA-N 1 0 316.470 3.387 10 0 DGAERO CC[C@H]1C[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000183008540 432248023 /nfs/dbraw/zinc/24/80/23/432248023.db2.gz DKDBKASHUFPRBW-AEFFLSMTSA-N 1 0 316.445 3.426 10 0 DGAERO CC(C)NC(=O)CC[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000046503242 270956801 /nfs/dbraw/zinc/95/68/01/270956801.db2.gz UCPBMUJUJXBROC-GFCCVEGCSA-N 1 0 305.447 3.204 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)CCC2 ZINC000367625868 271054472 /nfs/dbraw/zinc/05/44/72/271054472.db2.gz ZJAYCLVLAOIWMY-PKOBYXMFSA-N 1 0 310.445 3.214 10 0 DGAERO C/C(=C/c1ccc(C)cc1)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368016499 271113854 /nfs/dbraw/zinc/11/38/54/271113854.db2.gz BYRMXNSJGNHSNS-ICFOKQHNSA-N 1 0 312.457 3.485 10 0 DGAERO CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000368436147 271157861 /nfs/dbraw/zinc/15/78/61/271157861.db2.gz WTHGVUOVBCSRIW-BRWVUGGUSA-N 1 0 300.446 3.059 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368649305 271186156 /nfs/dbraw/zinc/18/61/56/271186156.db2.gz COKPQIJVVIITBR-GOSISDBHSA-N 1 0 324.424 3.228 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)cc2)cn1 ZINC000368860654 271216775 /nfs/dbraw/zinc/21/67/75/271216775.db2.gz XXDZHGUKQJSRSV-QGZVFWFLSA-N 1 0 319.412 3.042 10 0 DGAERO CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000370073737 271338627 /nfs/dbraw/zinc/33/86/27/271338627.db2.gz QNPBKCLCAZCEJJ-OAHLLOKOSA-N 1 0 312.417 3.251 10 0 DGAERO Cc1nc(C)n([C@@H]2CCC[N@H+](CCc3ccc(F)c(F)c3)C2)n1 ZINC000370709348 271383507 /nfs/dbraw/zinc/38/35/07/271383507.db2.gz RYPMYSPTEHONIG-OAHLLOKOSA-N 1 0 320.387 3.053 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@@H]2CCCc3ccccc32)cn1 ZINC000151532775 432254206 /nfs/dbraw/zinc/25/42/06/432254206.db2.gz ZJFAZTABJVHVDQ-GOSISDBHSA-N 1 0 304.397 3.435 10 0 DGAERO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)c2cnccn2)C1 ZINC000247939646 432254212 /nfs/dbraw/zinc/25/42/12/432254212.db2.gz CVRICSHOOLFNPD-GDBMZVCRSA-N 1 0 314.408 3.244 10 0 DGAERO Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247917126 432254735 /nfs/dbraw/zinc/25/47/35/432254735.db2.gz BGEABUAPFJJGPI-QUCCMNQESA-N 1 0 308.425 3.099 10 0 DGAERO CCc1ccc(-c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)o2)cc1 ZINC000173045841 432254959 /nfs/dbraw/zinc/25/49/59/432254959.db2.gz XGTQSAVQQJVUHN-INIZCTEOSA-N 1 0 312.413 3.285 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000156405409 273492278 /nfs/dbraw/zinc/49/22/78/273492278.db2.gz CHMDJYNCSWGRAI-NNOIFHNPSA-N 1 0 300.446 3.265 10 0 DGAERO CC(C)CN(C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21)C(C)C ZINC000192348437 273509554 /nfs/dbraw/zinc/50/95/54/273509554.db2.gz HPENPMHZOMULSE-KRWDZBQOSA-N 1 0 318.461 3.252 10 0 DGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000247269479 274122423 /nfs/dbraw/zinc/12/24/23/274122423.db2.gz ZWDVPTXKRRVVBW-ZCNNSNEGSA-N 1 0 309.409 3.321 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)c1cn[nH]c1 ZINC000222454090 274263361 /nfs/dbraw/zinc/26/33/61/274263361.db2.gz BBQTWRVZZCIKNW-BMIGLBTASA-N 1 0 320.234 3.380 10 0 DGAERO C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000331963669 274298745 /nfs/dbraw/zinc/29/87/45/274298745.db2.gz STVCTYXZXRZOSR-LAVFITLUSA-N 1 0 315.461 3.092 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1Cl ZINC000180599594 274522945 /nfs/dbraw/zinc/52/29/45/274522945.db2.gz UEFNCLSFSLEYEH-VHSXEESVSA-N 1 0 311.216 3.251 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000444144442 287774187 /nfs/dbraw/zinc/77/41/87/287774187.db2.gz LBKHQIXGCIUJDY-KURKYZTESA-N 1 0 321.509 3.473 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c2cccnc12 ZINC000249333771 274752569 /nfs/dbraw/zinc/75/25/69/274752569.db2.gz XSJXNXQHBKCPDR-UNEWFSDZSA-N 1 0 309.413 3.402 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000173138024 432259617 /nfs/dbraw/zinc/25/96/17/432259617.db2.gz OVISGUKPCFYCJG-CYBMUJFWSA-N 1 0 321.490 3.181 10 0 DGAERO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000070091153 274821422 /nfs/dbraw/zinc/82/14/22/274821422.db2.gz WWNGCYVOTAPULG-KBPBESRZSA-N 1 0 302.447 3.166 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C1CCC1 ZINC000453396101 275058047 /nfs/dbraw/zinc/05/80/47/275058047.db2.gz YAOCMBCGHWAVTA-HUUCEWRRSA-N 1 0 314.351 3.228 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000281974055 275067753 /nfs/dbraw/zinc/06/77/53/275067753.db2.gz BPTLWFHZLLCOHE-PKOBYXMFSA-N 1 0 314.473 3.452 10 0 DGAERO c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000112549842 275069404 /nfs/dbraw/zinc/06/94/04/275069404.db2.gz YXIYNRMYJCBOKA-FUHWJXTLSA-N 1 0 308.429 3.113 10 0 DGAERO Brc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CCCOC1 ZINC000293592258 275368277 /nfs/dbraw/zinc/36/82/77/275368277.db2.gz FNHGRYWYFCEGMY-WPRPVWTQSA-N 1 0 302.237 3.267 10 0 DGAERO Brc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCCOC1 ZINC000268838897 275375201 /nfs/dbraw/zinc/37/52/01/275375201.db2.gz CDWOKPFRKBIZTK-MFKMUULPSA-N 1 0 312.207 3.041 10 0 DGAERO CC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452450207 275446696 /nfs/dbraw/zinc/44/66/96/275446696.db2.gz GNVMXGXDCASLNS-GOSISDBHSA-N 1 0 300.446 3.156 10 0 DGAERO CC(C)[C@@H]([NH2+]CC1(O)CCOCC1)c1ccc(Cl)cc1F ZINC000182058251 275674637 /nfs/dbraw/zinc/67/46/37/275674637.db2.gz ZNKXUHSPXUGZTH-OAHLLOKOSA-N 1 0 315.816 3.307 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH3+])c3c2cccc3F)CC1 ZINC000079027370 275823117 /nfs/dbraw/zinc/82/31/17/275823117.db2.gz VQRSABLJLMGKAR-AWEZNQCLSA-N 1 0 320.408 3.498 10 0 DGAERO CC1(C)C[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2ccc(F)cc2O1 ZINC000090455273 275862689 /nfs/dbraw/zinc/86/26/89/275862689.db2.gz UECAZMUTMFPNQJ-XJKSGUPXSA-N 1 0 315.392 3.298 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000134177055 275869169 /nfs/dbraw/zinc/86/91/69/275869169.db2.gz MJANBAHJCPQOIO-KDOFPFPSSA-N 1 0 300.446 3.157 10 0 DGAERO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000191067182 275909436 /nfs/dbraw/zinc/90/94/36/275909436.db2.gz JLAFUBLPHLDFRW-WBVHZDCISA-N 1 0 300.450 3.345 10 0 DGAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135891 275922657 /nfs/dbraw/zinc/92/26/57/275922657.db2.gz PZNLYOUZYLGWFO-YOEHRIQHSA-N 1 0 309.475 3.113 10 0 DGAERO CCC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000154988226 276038764 /nfs/dbraw/zinc/03/87/64/276038764.db2.gz XIYBYDKMYKJHLE-HUUCEWRRSA-N 1 0 304.434 3.135 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000250116541 276056829 /nfs/dbraw/zinc/05/68/29/276056829.db2.gz UNGCENFRIWVDLN-XFKAJCMBSA-N 1 0 300.446 3.028 10 0 DGAERO CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@H](C)c1cccnc1 ZINC000115678035 276062415 /nfs/dbraw/zinc/06/24/15/276062415.db2.gz HUAXXTTZJOLUAL-OAHLLOKOSA-N 1 0 318.465 3.049 10 0 DGAERO CC(C)c1scnc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333365771 276080173 /nfs/dbraw/zinc/08/01/73/276080173.db2.gz UGJWFVLQAIOJJI-OLZOCXBDSA-N 1 0 322.478 3.120 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000079114914 276096953 /nfs/dbraw/zinc/09/69/53/276096953.db2.gz ZLJIIRZHKDMMKJ-CHWSQXEVSA-N 1 0 323.403 3.139 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000174179213 276120205 /nfs/dbraw/zinc/12/02/05/276120205.db2.gz QDBBLHVWFVNIAW-ROUUACIJSA-N 1 0 314.473 3.439 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1c(F)cc(F)cc1F ZINC000176381481 276168719 /nfs/dbraw/zinc/16/87/19/276168719.db2.gz LRKZZHRBULVFAG-LLVKDONJSA-N 1 0 315.339 3.052 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(C)nc2sc(C)cn12 ZINC000091892870 276234406 /nfs/dbraw/zinc/23/44/06/276234406.db2.gz YSWICWPFXHHZGB-CABCVRRESA-N 1 0 318.490 3.071 10 0 DGAERO CCCCS[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000057441497 276239299 /nfs/dbraw/zinc/23/92/99/276239299.db2.gz VJYAONKRWVWYSF-ZBFHGGJFSA-N 1 0 308.491 3.327 10 0 DGAERO CCn1c(C)nnc1C[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000109012998 276355266 /nfs/dbraw/zinc/35/52/66/276355266.db2.gz XGESPTDNFOKLAZ-CQSZACIVSA-N 1 0 316.449 3.068 10 0 DGAERO CCOc1cc2c(cc1C[NH2+][C@H]1CCCSC1)O[C@@H](C)C2 ZINC000135698650 276371195 /nfs/dbraw/zinc/37/11/95/276371195.db2.gz MYJYRYRNNMYOQS-WFASDCNBSA-N 1 0 307.459 3.394 10 0 DGAERO CC[C@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000193126323 276581365 /nfs/dbraw/zinc/58/13/65/276581365.db2.gz HAYIXXYMYCKFTI-KCXAZCMYSA-N 1 0 324.852 3.064 10 0 DGAERO C[NH+](C)CC1(CNC(=O)N2CCC[C@H]2c2ccco2)CCCC1 ZINC000185191702 276757013 /nfs/dbraw/zinc/75/70/13/276757013.db2.gz JVNBRCIPVQWQAF-HNNXBMFYSA-N 1 0 319.449 3.248 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1Oc1ccccc1 ZINC000450671170 277098056 /nfs/dbraw/zinc/09/80/56/277098056.db2.gz YFCPIAUOPFMDCN-LIRRHRJNSA-N 1 0 313.397 3.470 10 0 DGAERO C[C@H](C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203383 278155791 /nfs/dbraw/zinc/15/57/91/278155791.db2.gz QIOKPYGUFKYLML-BJJPWKGXSA-N 1 0 320.399 3.485 10 0 DGAERO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186236978 278189454 /nfs/dbraw/zinc/18/94/54/278189454.db2.gz NHGDXJLRNVRTQA-INIZCTEOSA-N 1 0 312.457 3.325 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262449594 279004305 /nfs/dbraw/zinc/00/43/05/279004305.db2.gz FFYHEJKNKYYLKI-RFZNHBKKSA-N 1 0 312.457 3.312 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000135308641 279045190 /nfs/dbraw/zinc/04/51/90/279045190.db2.gz YMLBXDXQRVLYOQ-TVYUQYBPSA-N 1 0 312.207 3.040 10 0 DGAERO Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)nc(-c2ccncc2)n1 ZINC000068658584 431134299 /nfs/dbraw/zinc/13/42/99/431134299.db2.gz ILEJKEHRPYHCFT-OAHLLOKOSA-N 1 0 323.400 3.155 10 0 DGAERO CC(C)N(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000179464289 279298186 /nfs/dbraw/zinc/29/81/86/279298186.db2.gz IPSLAVORRROYQN-DLBZAZTESA-N 1 0 301.434 3.014 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000175433670 279356846 /nfs/dbraw/zinc/35/68/46/279356846.db2.gz KEAUWJMHUJZAHP-WMLDXEAASA-N 1 0 321.440 3.258 10 0 DGAERO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247001063 279361971 /nfs/dbraw/zinc/36/19/71/279361971.db2.gz JXKSDDSDLBPISO-INMHGKMJSA-N 1 0 317.429 3.217 10 0 DGAERO CCn1c2ccc(F)cc2nc1C[N@H+](CCO)C1CCCCC1 ZINC000111303964 431209469 /nfs/dbraw/zinc/20/94/69/431209469.db2.gz OMALIOKRYWIRJH-UHFFFAOYSA-N 1 0 319.424 3.322 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(CCSC)cc1 ZINC000069685683 431211872 /nfs/dbraw/zinc/21/18/72/431211872.db2.gz PGUILRRQMWYAEP-AWEZNQCLSA-N 1 0 323.506 3.444 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000069683651 431213204 /nfs/dbraw/zinc/21/32/04/431213204.db2.gz GBMMJMMJSQUWCD-GOSISDBHSA-N 1 0 324.424 3.001 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000172170376 279496165 /nfs/dbraw/zinc/49/61/65/279496165.db2.gz MQJQAAKHZQZHRD-GRDNDAEWSA-N 1 0 316.445 3.183 10 0 DGAERO CCOC(=O)CCC[NH2+][C@H](C)c1ccccc1Br ZINC000070248017 431246350 /nfs/dbraw/zinc/24/63/50/431246350.db2.gz SIBHSSNUBLRKTC-LLVKDONJSA-N 1 0 314.223 3.443 10 0 DGAERO CCc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000071790584 431285891 /nfs/dbraw/zinc/28/58/91/431285891.db2.gz HWCYYBUXMLERQY-CVEARBPZSA-N 1 0 304.434 3.301 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC2CCOCC2)c1 ZINC000112696722 431298587 /nfs/dbraw/zinc/29/85/87/431298587.db2.gz RVXUMPMBRPPGMQ-QGZVFWFLSA-N 1 0 305.418 3.267 10 0 DGAERO C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000070885921 431262180 /nfs/dbraw/zinc/26/21/80/431262180.db2.gz YRHIHGWEJSAIQK-HNNXBMFYSA-N 1 0 318.436 3.091 10 0 DGAERO COC[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000112988197 431319604 /nfs/dbraw/zinc/31/96/04/431319604.db2.gz ANZBUDHRKVKKNS-KBPBESRZSA-N 1 0 301.390 3.156 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc2ccccc12 ZINC000113224814 431336247 /nfs/dbraw/zinc/33/62/47/431336247.db2.gz DAVSNIUPVJBJHN-CHWSQXEVSA-N 1 0 300.427 3.210 10 0 DGAERO Cc1oc(-c2cccs2)nc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113268139 431338703 /nfs/dbraw/zinc/33/87/03/431338703.db2.gz NXQFEKZCQNECEZ-GXTWGEPZSA-N 1 0 317.458 3.380 10 0 DGAERO CCN(CC)C(=O)[C@@H]([NH2+]CCc1ccsc1)c1ccccc1 ZINC000113252473 431338868 /nfs/dbraw/zinc/33/88/68/431338868.db2.gz WDEAAUIXXRJDOK-KRWDZBQOSA-N 1 0 316.470 3.490 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000072663497 431342103 /nfs/dbraw/zinc/34/21/03/431342103.db2.gz UGBZKEGRXUTIGT-YCPHGPKFSA-N 1 0 302.418 3.287 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000113404931 431345271 /nfs/dbraw/zinc/34/52/71/431345271.db2.gz BFEFFLJQCZDCCF-GJZGRUSLSA-N 1 0 307.438 3.213 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000072825897 431350248 /nfs/dbraw/zinc/35/02/48/431350248.db2.gz CEAPYDVVTUFUSD-MRXNPFEDSA-N 1 0 313.445 3.009 10 0 DGAERO C[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)[C@H](C[NH3+])C1 ZINC000262551264 279707215 /nfs/dbraw/zinc/70/72/15/279707215.db2.gz SLZVDOYQPYHODQ-ONGXEEELSA-N 1 0 318.314 3.044 10 0 DGAERO c1[nH]c([C@@H]2CCC[N@@H+](C[C@@H]3CCCO3)C2)nc1-c1ccccc1 ZINC000114481802 431390486 /nfs/dbraw/zinc/39/04/86/431390486.db2.gz AIFWDMCNLYRDQE-SJORKVTESA-N 1 0 311.429 3.435 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000074001981 431394258 /nfs/dbraw/zinc/39/42/58/431394258.db2.gz IVUUOUTWBIRMDL-ULQDDVLXSA-N 1 0 309.498 3.327 10 0 DGAERO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)nc12 ZINC000114495179 431394390 /nfs/dbraw/zinc/39/43/90/431394390.db2.gz WCZUVJHWLCMXNQ-HXUWFJFHSA-N 1 0 323.440 3.325 10 0 DGAERO O=c1cc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)nc2ccccn12 ZINC000114494776 431396131 /nfs/dbraw/zinc/39/61/31/431396131.db2.gz KFCOHYRTVIMDKG-IBGZPJMESA-N 1 0 309.413 3.017 10 0 DGAERO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C1CCC1)c1ccccc1 ZINC000074210753 431406179 /nfs/dbraw/zinc/40/61/79/431406179.db2.gz YPSRFRZMXFPWJC-CQSZACIVSA-N 1 0 303.450 3.310 10 0 DGAERO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000114717967 431407786 /nfs/dbraw/zinc/40/77/86/431407786.db2.gz PDNHXGNJYZFTAN-AWEZNQCLSA-N 1 0 304.825 3.068 10 0 DGAERO C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1c1ccccc1 ZINC000183587257 279825465 /nfs/dbraw/zinc/82/54/65/279825465.db2.gz FCIMYBVQXXPFDB-DOTOQJQBSA-N 1 0 323.440 3.413 10 0 DGAERO CC(C)[C@@H](CNC(=O)N1CCC12CCC2)[NH+]1CCC(C)CC1 ZINC000435577363 279841385 /nfs/dbraw/zinc/84/13/85/279841385.db2.gz JPKGJYAMSIYCAS-MRXNPFEDSA-N 1 0 307.482 3.081 10 0 DGAERO CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)[NH+]1CCC(C)CC1 ZINC000173939872 279847910 /nfs/dbraw/zinc/84/79/10/279847910.db2.gz LCLQVERVACETKR-FUHWJXTLSA-N 1 0 317.477 3.058 10 0 DGAERO C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115782595 431472355 /nfs/dbraw/zinc/47/23/55/431472355.db2.gz LVWXEGQCWHQOQF-GUYCJALGSA-N 1 0 321.440 3.265 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844945 431476432 /nfs/dbraw/zinc/47/64/32/431476432.db2.gz FAPSFMDXXYERCK-MRXNPFEDSA-N 1 0 321.440 3.361 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCC(C)(C)CC2)C1 ZINC000074526215 431427786 /nfs/dbraw/zinc/42/77/86/431427786.db2.gz YQQHSMXXRXGELA-HNNXBMFYSA-N 1 0 309.498 3.329 10 0 DGAERO CC(C)[NH+](CCNC(=O)N1CCC[C@H]1c1ccco1)C(C)C ZINC000116520650 431516281 /nfs/dbraw/zinc/51/62/81/431516281.db2.gz KJAVMFMWZMBXQA-HNNXBMFYSA-N 1 0 307.438 3.245 10 0 DGAERO CCC[C@@H](C)CC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116666758 431519382 /nfs/dbraw/zinc/51/93/82/431519382.db2.gz NMWPSRROJLQJLR-CQSZACIVSA-N 1 0 303.450 3.301 10 0 DGAERO Cc1cccc(N2CCC(NC(=O)c3ccc(C)c(C)c3)CC2)n1 ZINC000116668286 431520080 /nfs/dbraw/zinc/52/00/80/431520080.db2.gz JPNDNRAZBUZIDV-UHFFFAOYSA-N 1 0 323.440 3.406 10 0 DGAERO C[C@@H]1CC[C@H](C)C[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000076149869 431530626 /nfs/dbraw/zinc/53/06/26/431530626.db2.gz HWJNRBAOUXXFAK-UONOGXRCSA-N 1 0 306.475 3.143 10 0 DGAERO C[NH+](C)CC[C@H](NC(=O)c1cccc2ncccc21)C(C)(C)C ZINC000116125605 431488215 /nfs/dbraw/zinc/48/82/15/431488215.db2.gz ADZRTMIJTGJRGO-KRWDZBQOSA-N 1 0 313.445 3.331 10 0 DGAERO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075751956 431494558 /nfs/dbraw/zinc/49/45/58/431494558.db2.gz XHFKZZFWLRJQOM-ZWKOTPCHSA-N 1 0 317.408 3.137 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(F)cc2)C1 ZINC000012150680 431495097 /nfs/dbraw/zinc/49/50/97/431495097.db2.gz FHGPGSLMSUIISK-AEFFLSMTSA-N 1 0 318.436 3.295 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)ccc1SC ZINC000116311620 431503304 /nfs/dbraw/zinc/50/33/04/431503304.db2.gz JXNXUMPAFOSILD-CQSZACIVSA-N 1 0 317.458 3.140 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)ccc1SC ZINC000116311624 431505214 /nfs/dbraw/zinc/50/52/14/431505214.db2.gz JXNXUMPAFOSILD-AWEZNQCLSA-N 1 0 317.458 3.140 10 0 DGAERO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116404350 431511211 /nfs/dbraw/zinc/51/12/11/431511211.db2.gz RKVRHBXQAYITJL-SJLPKXTDSA-N 1 0 315.413 3.473 10 0 DGAERO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075969030 431512050 /nfs/dbraw/zinc/51/20/50/431512050.db2.gz BNMWXUXRMRGONL-GDBMZVCRSA-N 1 0 324.415 3.213 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1OC(F)F ZINC000075995376 431512677 /nfs/dbraw/zinc/51/26/77/431512677.db2.gz QEZVQTSRRALADD-NSHDSACASA-N 1 0 315.364 3.140 10 0 DGAERO O[C@H]1Cc2ccccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000013472049 431557053 /nfs/dbraw/zinc/55/70/53/431557053.db2.gz GOGXKAKIFSWUSO-LJQANCHMSA-N 1 0 309.409 3.069 10 0 DGAERO COCCCCC[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000116878797 431535769 /nfs/dbraw/zinc/53/57/69/431535769.db2.gz MFYVZEOWFGYIQT-UHFFFAOYSA-N 1 0 317.433 3.075 10 0 DGAERO CCCn1cc(C[NH2+]Cc2cc(Br)cs2)cn1 ZINC000116913908 431538535 /nfs/dbraw/zinc/53/85/35/431538535.db2.gz JHVVVANWHQRKCM-UHFFFAOYSA-N 1 0 314.252 3.407 10 0 DGAERO CCCn1cc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)cn1 ZINC000116915802 431539178 /nfs/dbraw/zinc/53/91/78/431539178.db2.gz IVNKFHDQXVPTTH-KRWDZBQOSA-N 1 0 316.449 3.121 10 0 DGAERO CC(C)Oc1ccc(F)cc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000117005415 431544383 /nfs/dbraw/zinc/54/43/83/431544383.db2.gz VQESZLVSCWROMI-UHFFFAOYSA-N 1 0 323.412 3.076 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000076393371 431546034 /nfs/dbraw/zinc/54/60/34/431546034.db2.gz UKTRTIXXWQUIOR-BJZITVGISA-N 1 0 324.424 3.100 10 0 DGAERO CCc1nnc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)o1 ZINC000076390294 431547797 /nfs/dbraw/zinc/54/77/97/431547797.db2.gz MLTADZHGGJOIJD-JSGCOSHPSA-N 1 0 301.390 3.019 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCCCCC2)cc1 ZINC000076409121 431549946 /nfs/dbraw/zinc/54/99/46/431549946.db2.gz DIMCOWXTZGYXLG-SFHVURJKSA-N 1 0 316.445 3.235 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccccc2C)[C@H](C)C1 ZINC000076485540 431552159 /nfs/dbraw/zinc/55/21/59/431552159.db2.gz HQJUBTPUOYBZTL-HZPDHXFCSA-N 1 0 320.502 3.276 10 0 DGAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000117604132 431570918 /nfs/dbraw/zinc/57/09/18/431570918.db2.gz SKKQSMHSBZGOHS-ACJLOTCBSA-N 1 0 310.397 3.251 10 0 DGAERO C[C@]1(CCc2ccccc2)CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261697618 280153178 /nfs/dbraw/zinc/15/31/78/280153178.db2.gz ICMYNQIUOLWNRI-GGPKGHCWSA-N 1 0 314.473 3.233 10 0 DGAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000263275959 280165047 /nfs/dbraw/zinc/16/50/47/280165047.db2.gz SVKQWLYAHWPNLK-JLNYLFASSA-N 1 0 320.399 3.379 10 0 DGAERO CC[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc(F)cc1F ZINC000183580027 280183289 /nfs/dbraw/zinc/18/32/89/280183289.db2.gz UGWBWONQBBPBMK-OAHLLOKOSA-N 1 0 319.355 3.307 10 0 DGAERO O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCCC12CCC2 ZINC000444614163 280188731 /nfs/dbraw/zinc/18/87/31/280188731.db2.gz ZODVUZUYOMYEMV-UHFFFAOYSA-N 1 0 307.397 3.406 10 0 DGAERO Cc1cc(C)c(N2CC[C@@H]([NH2+]C3CCSCC3)C2=O)c(C)c1 ZINC000189457227 280386740 /nfs/dbraw/zinc/38/67/40/280386740.db2.gz REHUECVDLBRBGX-MRXNPFEDSA-N 1 0 318.486 3.202 10 0 DGAERO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c(C)c1 ZINC000187954859 280391256 /nfs/dbraw/zinc/39/12/56/280391256.db2.gz AHSVKHWAADPOJC-ORAYPTAESA-N 1 0 318.461 3.033 10 0 DGAERO CCOc1ccc(NC(=O)C[N@@H+]2CCCC2(C)C)cc1OCC ZINC000077382767 431591397 /nfs/dbraw/zinc/59/13/97/431591397.db2.gz RTVKHSKYVSLPBD-UHFFFAOYSA-N 1 0 320.433 3.297 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c3c2cccc3C)C1 ZINC000119165624 431655840 /nfs/dbraw/zinc/65/58/40/431655840.db2.gz VPIUXPAJPCHDDX-MRXNPFEDSA-N 1 0 313.445 3.009 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]CCCO[C@H]1CCOC1)CCCO2 ZINC000119111722 431647947 /nfs/dbraw/zinc/64/79/47/431647947.db2.gz CNILYSSHAAHWQF-FUHWJXTLSA-N 1 0 319.445 3.302 10 0 DGAERO CC[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000119379142 431683421 /nfs/dbraw/zinc/68/34/21/431683421.db2.gz SBTQCAMJLWRDHS-OALUTQOASA-N 1 0 314.429 3.042 10 0 DGAERO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](C)CS(C)(=O)=O)c1C ZINC000119374874 431684661 /nfs/dbraw/zinc/68/46/61/431684661.db2.gz PTSWOQUHNZWKCL-DYVFJYSZSA-N 1 0 309.475 3.121 10 0 DGAERO CCC[C@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccccn1 ZINC000027522048 431688293 /nfs/dbraw/zinc/68/82/93/431688293.db2.gz KGOLCFJHJOGRJG-GOSISDBHSA-N 1 0 305.466 3.114 10 0 DGAERO CC(C)[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CCC1 ZINC000119704709 431713587 /nfs/dbraw/zinc/71/35/87/431713587.db2.gz BNAOCEYXSFBHQG-LBPRGKRZSA-N 1 0 306.372 3.050 10 0 DGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000078691234 431697579 /nfs/dbraw/zinc/69/75/79/431697579.db2.gz XHFMYIOCXFTCFY-AVGNSLFASA-N 1 0 310.413 3.178 10 0 DGAERO CCn1c(C)cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1C ZINC000119527367 431704346 /nfs/dbraw/zinc/70/43/46/431704346.db2.gz MWXFEXQOESIIDD-SFHVURJKSA-N 1 0 313.445 3.158 10 0 DGAERO CC(C)[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C1CCC1 ZINC000119712973 431712558 /nfs/dbraw/zinc/71/25/58/431712558.db2.gz XZZZYKHZOITONU-UHFFFAOYSA-N 1 0 317.458 3.236 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000120473982 431729852 /nfs/dbraw/zinc/72/98/52/431729852.db2.gz NZWLXVWNJMNTSW-ZMZPIMSZSA-N 1 0 301.409 3.384 10 0 DGAERO C[C@@H]1CN([C@@H]2CCc3cc(Br)ccc32)C[C@@]1(C)C[NH3+] ZINC000311421565 288250786 /nfs/dbraw/zinc/25/07/86/288250786.db2.gz DZVYQIDPMNMBOV-HFBAOOFYSA-N 1 0 323.278 3.353 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000121071339 431741724 /nfs/dbraw/zinc/74/17/24/431741724.db2.gz MGWBTYJILNIWIA-CQSZACIVSA-N 1 0 311.495 3.041 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c(C)s1 ZINC000192709773 280649494 /nfs/dbraw/zinc/64/94/94/280649494.db2.gz FXODQUSZRAYCCR-ZDUSSCGKSA-N 1 0 316.474 3.475 10 0 DGAERO Cc1cnn(CCCCC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000081568571 431796258 /nfs/dbraw/zinc/79/62/58/431796258.db2.gz SAUDJVYEOWKHCE-OAHLLOKOSA-N 1 0 309.454 3.024 10 0 DGAERO CC(=O)Nc1ccc(C[N@H+](C)CCOc2ccc(C)cc2)cc1 ZINC000121502470 431796655 /nfs/dbraw/zinc/79/66/55/431796655.db2.gz JONILIUYYLRZLT-UHFFFAOYSA-N 1 0 312.413 3.464 10 0 DGAERO Cc1cc2cc(C(=O)N(C[C@@H]3CCC[NH2+]3)C3CC3)oc2cc1C ZINC000186536899 280690236 /nfs/dbraw/zinc/69/02/36/280690236.db2.gz BDWPJHGWUSSLPB-HNNXBMFYSA-N 1 0 312.413 3.406 10 0 DGAERO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000121532675 431799626 /nfs/dbraw/zinc/79/96/26/431799626.db2.gz MHJARSRPLFPCRR-HIFRSBDPSA-N 1 0 322.424 3.276 10 0 DGAERO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000121543128 431801413 /nfs/dbraw/zinc/80/14/13/431801413.db2.gz FMGPLKUHZFMKJX-DZGCQCFKSA-N 1 0 321.367 3.364 10 0 DGAERO C[C@@H](c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000083442728 431810437 /nfs/dbraw/zinc/81/04/37/431810437.db2.gz RDNJCXICYWYIFH-SWLSCSKDSA-N 1 0 309.251 3.290 10 0 DGAERO CCCC(=O)Nc1c[nH]c2ncc(-c3ccc(C[NH3+])cc3)cc12 ZINC000034052231 431816044 /nfs/dbraw/zinc/81/60/44/431816044.db2.gz SZOWORDRPXOQJM-UHFFFAOYSA-N 1 0 308.385 3.427 10 0 DGAERO COC(=O)c1occc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037318785 431845765 /nfs/dbraw/zinc/84/57/65/431845765.db2.gz AISDACNLIXVKPB-QWRGUYRKSA-N 1 0 305.296 3.277 10 0 DGAERO CC(C)=C(F)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000122842730 431846392 /nfs/dbraw/zinc/84/63/92/431846392.db2.gz JVLYQTOHLZLZJX-UHFFFAOYSA-N 1 0 304.409 3.373 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(COC)cc2)C1 ZINC000122875726 431847135 /nfs/dbraw/zinc/84/71/35/431847135.db2.gz ODMUAYZQTOOGTA-SFHVURJKSA-N 1 0 313.445 3.429 10 0 DGAERO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000037782599 431849450 /nfs/dbraw/zinc/84/94/50/431849450.db2.gz APIFWORYLDSJGE-YVEFUNNKSA-N 1 0 306.837 3.392 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2)o1 ZINC000037980945 431852085 /nfs/dbraw/zinc/85/20/85/431852085.db2.gz ORRLEEOEBZFAMG-OCCSQVGLSA-N 1 0 309.793 3.332 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(Br)c1 ZINC000038012553 431853421 /nfs/dbraw/zinc/85/34/21/431853421.db2.gz SQNXXOJXOJORDU-JTQLQIEISA-N 1 0 313.239 3.014 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000089129689 431860741 /nfs/dbraw/zinc/86/07/41/431860741.db2.gz YSTRKTFBCOPCEM-IUODEOHRSA-N 1 0 324.490 3.005 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cn(-c2ccccc2)nc1C ZINC000123376315 431863155 /nfs/dbraw/zinc/86/31/55/431863155.db2.gz GGHXKWFJJMZSHR-LJQANCHMSA-N 1 0 312.461 3.097 10 0 DGAERO Cc1c2ccccc2oc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123403055 431863872 /nfs/dbraw/zinc/86/38/72/431863872.db2.gz MMEYBCFRKNHPJZ-OCCSQVGLSA-N 1 0 300.402 3.296 10 0 DGAERO CCOc1cc(CN(C)C[C@@H]2CCC[N@@H+]2CC)ccc1OC ZINC000123402626 431864063 /nfs/dbraw/zinc/86/40/63/431864063.db2.gz RPMLRHVNIVZBJF-INIZCTEOSA-N 1 0 306.450 3.010 10 0 DGAERO C[N@@H+]1CCC[C@H]1CCN1C[C@@H](c2ccccc2)OCC1(C)C ZINC000089427194 431865949 /nfs/dbraw/zinc/86/59/49/431865949.db2.gz NZPNIQMEYDJUOH-ROUUACIJSA-N 1 0 302.462 3.323 10 0 DGAERO CCC[C@@H](C(=O)N[C@H]1CCSc2c(F)cccc21)[NH+](C)C ZINC000123500097 431866356 /nfs/dbraw/zinc/86/63/56/431866356.db2.gz SEYQTMAPLLLTFQ-KBPBESRZSA-N 1 0 310.438 3.209 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)n1 ZINC000089518081 431868652 /nfs/dbraw/zinc/86/86/52/431868652.db2.gz MRHSTLGBYBKEDP-QWRGUYRKSA-N 1 0 316.430 3.312 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000123602106 431868683 /nfs/dbraw/zinc/86/86/83/431868683.db2.gz DIBTYGKONUVWQN-TZMCWYRMSA-N 1 0 316.367 3.500 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)n1 ZINC000089518487 431868716 /nfs/dbraw/zinc/86/87/16/431868716.db2.gz GONHVAWOAFVPCT-VIFPVBQESA-N 1 0 315.295 3.170 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCc2nc(C)no2)ccc1SC ZINC000089518696 431869265 /nfs/dbraw/zinc/86/92/65/431869265.db2.gz WVUKFKABBPLIMW-JTQLQIEISA-N 1 0 307.419 3.002 10 0 DGAERO C[C@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)c1ccc(Cl)s1 ZINC000043595307 431869408 /nfs/dbraw/zinc/86/94/08/431869408.db2.gz NGSJUHYWCQWAKI-BONVTDFDSA-N 1 0 320.845 3.466 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2csc3ccccc23)CC[N@@H+]1C ZINC000123618071 431870101 /nfs/dbraw/zinc/87/01/01/431870101.db2.gz MYGNJOYTTLISQY-CHWSQXEVSA-N 1 0 302.443 3.456 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCOC[C@H]1C ZINC000194727933 280813635 /nfs/dbraw/zinc/81/36/35/280813635.db2.gz PKAZQHPRBFHSOJ-WBVHZDCISA-N 1 0 316.445 3.202 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1cccs1 ZINC000035149770 431826184 /nfs/dbraw/zinc/82/61/84/431826184.db2.gz PFRNOFZHUQYZKG-LLVKDONJSA-N 1 0 306.456 3.045 10 0 DGAERO NC(=O)C1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000035255374 431827819 /nfs/dbraw/zinc/82/78/19/431827819.db2.gz GXAUYOVTYNVOFV-UHFFFAOYSA-N 1 0 301.217 3.127 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000084743019 431833033 /nfs/dbraw/zinc/83/30/33/431833033.db2.gz HNORTQWERRZCGV-DKRLNXSXSA-N 1 0 300.446 3.389 10 0 DGAERO CCc1ccc([C@H](CNC(=O)NC2CCCCC2)[NH+](C)C)cc1 ZINC000036097787 431835243 /nfs/dbraw/zinc/83/52/43/431835243.db2.gz FXUBTTPJDVEGEU-SFHVURJKSA-N 1 0 317.477 3.484 10 0 DGAERO CC(C)[N@@H+](Cc1ccsc1)C[C@H](O)COCc1ccco1 ZINC000036099358 431835294 /nfs/dbraw/zinc/83/52/94/431835294.db2.gz NVVPSJPGUDHUAW-HNNXBMFYSA-N 1 0 309.431 3.129 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)NCCc2ccsc2)c1 ZINC000044276980 431873037 /nfs/dbraw/zinc/87/30/37/431873037.db2.gz ZELXUBUPNWDQHK-UHFFFAOYSA-N 1 0 303.431 3.174 10 0 DGAERO CCCOc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000124906864 431908427 /nfs/dbraw/zinc/90/84/27/431908427.db2.gz UMVUDTXWKAZNHZ-INIZCTEOSA-N 1 0 319.449 3.423 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000092568661 431910763 /nfs/dbraw/zinc/91/07/63/431910763.db2.gz ISNVMHUVOAXIIF-OWCLPIDISA-N 1 0 313.445 3.201 10 0 DGAERO COc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000092785755 431911926 /nfs/dbraw/zinc/91/19/26/431911926.db2.gz GUFWVIUVPQUKJD-KRWDZBQOSA-N 1 0 318.461 3.154 10 0 DGAERO C/C(=C/c1ccccc1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000093011836 431913477 /nfs/dbraw/zinc/91/34/77/431913477.db2.gz FXAHLQBSOXTZEC-PUWPPSGDSA-N 1 0 314.473 3.277 10 0 DGAERO Cc1cn2c(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)c(C)nc2s1 ZINC000093506980 431915315 /nfs/dbraw/zinc/91/53/15/431915315.db2.gz RRBLSSNLKDRZIM-UKRRQHHQSA-N 1 0 305.447 3.014 10 0 DGAERO CC[C@H](NC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1c(C)noc1C ZINC000125247213 431918115 /nfs/dbraw/zinc/91/81/15/431918115.db2.gz ZHVOOYPVVITRJK-CABCVRRESA-N 1 0 324.469 3.018 10 0 DGAERO C[C@H](CCCO)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000094942607 431920272 /nfs/dbraw/zinc/92/02/72/431920272.db2.gz JHSYKMQOUXHUCV-CHWSQXEVSA-N 1 0 301.377 3.360 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCc2ccccc21)c1ccccc1 ZINC000048216671 431921582 /nfs/dbraw/zinc/92/15/82/431921582.db2.gz FOPJIIRHJMSPJZ-OALUTQOASA-N 1 0 323.440 3.276 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCn2cc(C)cn2)ccc1SC ZINC000123856257 431875857 /nfs/dbraw/zinc/87/58/57/431875857.db2.gz OGPWVEHETAXXPT-ZDUSSCGKSA-N 1 0 305.447 3.273 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000089732827 431876179 /nfs/dbraw/zinc/87/61/79/431876179.db2.gz OWMRHTIZPQNJAP-SJLPKXTDSA-N 1 0 310.445 3.413 10 0 DGAERO Cc1cc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c(C)s1 ZINC000089732151 431876347 /nfs/dbraw/zinc/87/63/47/431876347.db2.gz NJCAETCJLKIUON-ZFWWWQNUSA-N 1 0 316.474 3.475 10 0 DGAERO Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c(C)s1 ZINC000089732150 431876403 /nfs/dbraw/zinc/87/64/03/431876403.db2.gz NJCAETCJLKIUON-HIFRSBDPSA-N 1 0 316.474 3.475 10 0 DGAERO CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732900 431876579 /nfs/dbraw/zinc/87/65/79/431876579.db2.gz XEVGKLFDWIPJGG-OALUTQOASA-N 1 0 324.472 3.365 10 0 DGAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000123866690 431876869 /nfs/dbraw/zinc/87/68/69/431876869.db2.gz LTEBHDDFUTYJOR-OAHLLOKOSA-N 1 0 309.417 3.036 10 0 DGAERO Cc1cnn(CC[NH2+][C@H]2CCc3cc(Br)ccc32)c1 ZINC000123883990 431877339 /nfs/dbraw/zinc/87/73/39/431877339.db2.gz NEBSVOPALUBCPG-HNNXBMFYSA-N 1 0 320.234 3.231 10 0 DGAERO CC(C)COc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123899820 431877595 /nfs/dbraw/zinc/87/75/95/431877595.db2.gz QGZCNZKDLIXQLH-RDJZCZTQSA-N 1 0 318.461 3.276 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2OCC2CC2)CC[N@@H+]1C ZINC000124054321 431882294 /nfs/dbraw/zinc/88/22/94/431882294.db2.gz MBACGKICLGODAR-GOEBONIOSA-N 1 0 316.445 3.030 10 0 DGAERO Cc1cccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1F ZINC000124186491 431885047 /nfs/dbraw/zinc/88/50/47/431885047.db2.gz HSZBSPLTCRDLRI-UHFFFAOYSA-N 1 0 318.367 3.265 10 0 DGAERO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000090003713 431888806 /nfs/dbraw/zinc/88/88/06/431888806.db2.gz WWTAJPFXEGSSKW-MRXNPFEDSA-N 1 0 320.440 3.423 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000124360908 431892151 /nfs/dbraw/zinc/89/21/51/431892151.db2.gz FTVBDORCKIQPMV-INIZCTEOSA-N 1 0 311.429 3.116 10 0 DGAERO CCc1ccc(C[N@H+](C[C@H](O)COC(C)(C)C)C2CC2)cc1 ZINC000046061821 431893545 /nfs/dbraw/zinc/89/35/45/431893545.db2.gz NPNJBBULZRMTQO-SFHVURJKSA-N 1 0 305.462 3.389 10 0 DGAERO CCC(C)(C)NC(=O)C[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000090620346 431893505 /nfs/dbraw/zinc/89/35/05/431893505.db2.gz BLPIZFHHOKPTBG-HNNXBMFYSA-N 1 0 320.477 3.110 10 0 DGAERO Cc1nc2ccccc2cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124442414 431893865 /nfs/dbraw/zinc/89/38/65/431893865.db2.gz SHQJLJNWJINLFJ-CJNGLKHVSA-N 1 0 311.429 3.098 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)[NH+](C)C ZINC000124475621 431895200 /nfs/dbraw/zinc/89/52/00/431895200.db2.gz YPKKVNYENCQZOI-JSGCOSHPSA-N 1 0 322.453 3.025 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]CCCNC(=O)C(C)C)CCCO2 ZINC000090880886 431896644 /nfs/dbraw/zinc/89/66/44/431896644.db2.gz YNJMQQRDPHIQCX-QGZVFWFLSA-N 1 0 318.461 3.269 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000090938661 431898686 /nfs/dbraw/zinc/89/86/86/431898686.db2.gz YENKNEDKAGKUBN-JKSUJKDBSA-N 1 0 321.424 3.444 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)C1CCCCC1 ZINC000090938762 431898835 /nfs/dbraw/zinc/89/88/35/431898835.db2.gz HIEFAEVQSGASMQ-CABCVRRESA-N 1 0 313.445 3.343 10 0 DGAERO CCc1nc2n(n1)C[C@H](Nc1cc(CC)[nH+]c3ccccc13)CC2 ZINC000124763354 431903451 /nfs/dbraw/zinc/90/34/51/431903451.db2.gz HYGBDSAXYADTJU-CQSZACIVSA-N 1 0 321.428 3.378 10 0 DGAERO CC[C@H]1CCCCN1C(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055023552 431975174 /nfs/dbraw/zinc/97/51/74/431975174.db2.gz XYIHVUBRNTUCLB-KRWDZBQOSA-N 1 0 306.425 3.091 10 0 DGAERO OCCC1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000097817753 431975490 /nfs/dbraw/zinc/97/54/90/431975490.db2.gz VSTWWADUJXAOEH-UHFFFAOYSA-N 1 0 324.262 3.447 10 0 DGAERO Cc1ccc(C[N@@H+](Cc2ccncc2)C[C@H]2CCOC2)s1 ZINC000055131483 431977456 /nfs/dbraw/zinc/97/74/56/431977456.db2.gz AVXXXEXXQSWUDM-MRXNPFEDSA-N 1 0 302.443 3.490 10 0 DGAERO Fc1cccc(C[C@H]2CCC[N@@H+]2Cc2cn3cccnc3n2)c1 ZINC000125544323 431928815 /nfs/dbraw/zinc/92/88/15/431928815.db2.gz KORYFRQZYBJVPJ-QGZVFWFLSA-N 1 0 310.376 3.076 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000125533134 431929073 /nfs/dbraw/zinc/92/90/73/431929073.db2.gz KSRCHHBUESNUAG-NHYWBVRUSA-N 1 0 318.244 3.433 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccc(Cl)s1 ZINC000049129314 431937218 /nfs/dbraw/zinc/93/72/18/431937218.db2.gz DHVZMJGVAZWHFD-QWRGUYRKSA-N 1 0 315.822 3.223 10 0 DGAERO Cc1ccc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000125897322 431938148 /nfs/dbraw/zinc/93/81/48/431938148.db2.gz KXWYDSXRPWURNO-CYBMUJFWSA-N 1 0 307.415 3.185 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1NC(C)=O ZINC000126217458 431945566 /nfs/dbraw/zinc/94/55/66/431945566.db2.gz KRGJZASIWTYSIY-QWHCGFSZSA-N 1 0 320.433 3.119 10 0 DGAERO O=C(NCCC1=CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126577943 431953414 /nfs/dbraw/zinc/95/34/14/431953414.db2.gz QFHQGPRVECCRRI-SJLPKXTDSA-N 1 0 317.477 3.145 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NCc1cn2cc(Cl)ccc2n1 ZINC000096543934 431955716 /nfs/dbraw/zinc/95/57/16/431955716.db2.gz IQQUEGQVGNKGBU-CQSZACIVSA-N 1 0 308.857 3.054 10 0 DGAERO CCCn1cc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cn1 ZINC000126948378 431961214 /nfs/dbraw/zinc/96/12/14/431961214.db2.gz TXHWZRKAJJCIKF-MRXNPFEDSA-N 1 0 301.409 3.497 10 0 DGAERO Cc1ccccc1SCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126987958 431962280 /nfs/dbraw/zinc/96/22/80/431962280.db2.gz NYHYYPOZTBKFLI-MRXNPFEDSA-N 1 0 318.486 3.031 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000054003183 431966571 /nfs/dbraw/zinc/96/65/71/431966571.db2.gz PJVJXUIEUCZFNW-KRWDZBQOSA-N 1 0 309.413 3.062 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1Br ZINC000127360783 431970242 /nfs/dbraw/zinc/97/02/42/431970242.db2.gz FADLWITZRBFMKM-CQSZACIVSA-N 1 0 312.251 3.494 10 0 DGAERO C[C@H](c1ccccn1)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000100248832 431981423 /nfs/dbraw/zinc/98/14/23/431981423.db2.gz LFLNYACCLPSJOQ-UONOGXRCSA-N 1 0 305.422 3.084 10 0 DGAERO Clc1cccc(-c2n[nH]cc2CN2CC[NH+](C3CC3)CC2)c1 ZINC000127929040 431983967 /nfs/dbraw/zinc/98/39/67/431983967.db2.gz UWVRUOFGLQXIHB-UHFFFAOYSA-N 1 0 316.836 3.010 10 0 DGAERO COc1cc(C[NH2+]C[C@H](C)SC)cc(Br)c1O ZINC000128009865 431985675 /nfs/dbraw/zinc/98/56/75/431985675.db2.gz XGDMNWIRDZQPHN-QMMMGPOBSA-N 1 0 320.252 3.004 10 0 DGAERO O=C(CC[N@@H+]1CCC[C@H](c2nccs2)C1)Nc1ccccc1 ZINC000101587016 431986411 /nfs/dbraw/zinc/98/64/11/431986411.db2.gz SQUBKDLVCHPTRW-AWEZNQCLSA-N 1 0 315.442 3.351 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)on1 ZINC000055527391 431983564 /nfs/dbraw/zinc/98/35/64/431983564.db2.gz RSYYPQRFTITQKM-ZDUSSCGKSA-N 1 0 301.390 3.396 10 0 DGAERO CC1(C)CN(C(=O)C2(c3ccccc3F)CCCC2)CC[C@@H]1[NH3+] ZINC000262018659 281156752 /nfs/dbraw/zinc/15/67/52/281156752.db2.gz OPWPMXIJVUBLGR-INIZCTEOSA-N 1 0 318.436 3.223 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000246956689 288312274 /nfs/dbraw/zinc/31/22/74/288312274.db2.gz DGVAIMVWOVIFHX-RISCZKNCSA-N 1 0 312.335 3.014 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC(C(=O)N(C)C)CC1 ZINC000185251590 281308091 /nfs/dbraw/zinc/30/80/91/281308091.db2.gz MMBOWPCXLQUOJD-UHFFFAOYSA-N 1 0 311.429 3.156 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cnn(Cc2ccccc2)c1 ZINC000248135442 432270133 /nfs/dbraw/zinc/27/01/33/432270133.db2.gz PABYKGWXLXLMAB-KVSKMBFKSA-N 1 0 313.445 3.133 10 0 DGAERO C[C@@]1(C(=O)Nc2ccc(OCC[NH3+])cc2)CCCc2ccccc21 ZINC000183227450 432270681 /nfs/dbraw/zinc/27/06/81/432270681.db2.gz AGBZTUVIHVMAFD-HXUWFJFHSA-N 1 0 324.424 3.257 10 0 DGAERO Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248125290 432270999 /nfs/dbraw/zinc/27/09/99/432270999.db2.gz VFNFNGTWQLKTRN-MSOLQXFVSA-N 1 0 312.388 3.309 10 0 DGAERO CSc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248155894 432272043 /nfs/dbraw/zinc/27/20/43/432272043.db2.gz RJJNVGPWWMBHMH-CZUORRHYSA-N 1 0 319.474 3.357 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000173388007 432275858 /nfs/dbraw/zinc/27/58/58/432275858.db2.gz LSADKEQXSBYFGO-SWLSCSKDSA-N 1 0 309.841 3.185 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(F)c1F ZINC000183271925 432277006 /nfs/dbraw/zinc/27/70/06/432277006.db2.gz KGKMSUISNSXIRV-OLZOCXBDSA-N 1 0 320.387 3.018 10 0 DGAERO CCc1nccn1[C@H]1CCCN(C(=O)NCc2cccs2)C1 ZINC000151809279 432278208 /nfs/dbraw/zinc/27/82/08/432278208.db2.gz NDWLYESJZTUVFC-ZDUSSCGKSA-N 1 0 318.446 3.054 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000173442559 432279301 /nfs/dbraw/zinc/27/93/01/432279301.db2.gz WTKGWEPULBFLRV-ZDUSSCGKSA-N 1 0 321.490 3.133 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccncc2)[C@H]2CCCC[C@@H]12 ZINC000248373741 432282554 /nfs/dbraw/zinc/28/25/54/432282554.db2.gz LBIPIRHDAVPFIC-JLSDUUJJSA-N 1 0 310.445 3.493 10 0 DGAERO CC[C@@H]1C[N@@H+]([C@H](C)CCc2cccc(F)c2)CCN1CCOC ZINC000248384762 432283559 /nfs/dbraw/zinc/28/35/59/432283559.db2.gz FYRCRYKUDIPQFJ-VQIMIIECSA-N 1 0 322.468 3.189 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)[C@H]1C ZINC000248392036 432284426 /nfs/dbraw/zinc/28/44/26/432284426.db2.gz CTBSCYPJGFTHLZ-FZCLSBEQSA-N 1 0 302.462 3.100 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H]1C ZINC000191628370 432284496 /nfs/dbraw/zinc/28/44/96/432284496.db2.gz XVESLRZERUNCPP-CWSCBRNRSA-N 1 0 314.223 3.286 10 0 DGAERO C[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1F ZINC000151884010 432285050 /nfs/dbraw/zinc/28/50/50/432285050.db2.gz VRYKEBGDEYMMJJ-MEDUHNTESA-N 1 0 305.372 3.469 10 0 DGAERO Cc1nc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)nc2ccccc12 ZINC000191650503 432287489 /nfs/dbraw/zinc/28/74/89/432287489.db2.gz CHEKEGOXAHSINT-IBGZPJMESA-N 1 0 313.445 3.311 10 0 DGAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000183405533 432289408 /nfs/dbraw/zinc/28/94/08/432289408.db2.gz TVGAVCVHJCJROT-IAQYHMDHSA-N 1 0 319.417 3.075 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H](O)COC(C)(C)C)C2)c1 ZINC000248450820 432291884 /nfs/dbraw/zinc/29/18/84/432291884.db2.gz IURBWRTYCGGJPM-FUHWJXTLSA-N 1 0 305.462 3.269 10 0 DGAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248446830 432292153 /nfs/dbraw/zinc/29/21/53/432292153.db2.gz HBCHRAATUDGMBQ-YJBOKZPZSA-N 1 0 311.466 3.125 10 0 DGAERO CCOc1c(F)cccc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000173665938 432293307 /nfs/dbraw/zinc/29/33/07/432293307.db2.gz KXGBHDFBAKXVKL-UHFFFAOYSA-N 1 0 322.424 3.217 10 0 DGAERO COCc1noc([C@@H](C)[N@@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)n1 ZINC000248460508 432294092 /nfs/dbraw/zinc/29/40/92/432294092.db2.gz OLSKHLQAMMMNMM-HUUCEWRRSA-N 1 0 315.417 3.383 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OC(C)C)c(C)c2)C1 ZINC000173729738 432296677 /nfs/dbraw/zinc/29/66/77/432296677.db2.gz HZLYEFZSJHRMRB-MRXNPFEDSA-N 1 0 319.449 3.388 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000248497121 432296713 /nfs/dbraw/zinc/29/67/13/432296713.db2.gz LQMJRFCNSCHVCF-XLNGHYISSA-N 1 0 307.459 3.078 10 0 DGAERO CC[C@H](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248551616 432299140 /nfs/dbraw/zinc/29/91/40/432299140.db2.gz KQFBTHSGIDRBQQ-DFGXFYAUSA-N 1 0 317.477 3.090 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)[C@@H]1COc2ccccc21 ZINC000248553748 432300233 /nfs/dbraw/zinc/30/02/33/432300233.db2.gz APVCVEXLDUFXQF-XNJJOIOASA-N 1 0 319.351 3.153 10 0 DGAERO CCc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000128414479 431993914 /nfs/dbraw/zinc/99/39/14/431993914.db2.gz WSLYYIBSMBCEOW-BBRMVZONSA-N 1 0 323.506 3.182 10 0 DGAERO Cc1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccccc3C)CC2)n1 ZINC000128695641 431998679 /nfs/dbraw/zinc/99/86/79/431998679.db2.gz VVZAIBLJRVSQAZ-LSDHHAIUSA-N 1 0 314.433 3.126 10 0 DGAERO CCc1ccc2c(C[NH2+][C@@H](C)[C@H]3CCCO3)cc(=O)oc2c1 ZINC000183127257 432261218 /nfs/dbraw/zinc/26/12/18/432261218.db2.gz JDAQXNZTSYACMI-BLLLJJGKSA-N 1 0 301.386 3.013 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(Cc3ccccc3OC(F)F)CC[C@H]21 ZINC000248004744 432261689 /nfs/dbraw/zinc/26/16/89/432261689.db2.gz KSQJSNLMGYPPRG-DZGCQCFKSA-N 1 0 310.388 3.204 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000183126621 432262380 /nfs/dbraw/zinc/26/23/80/432262380.db2.gz CTAZVEZLYGMLOC-NOZJJQNGSA-N 1 0 317.216 3.089 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccccc1OC(F)F)CC2 ZINC000248029056 432263915 /nfs/dbraw/zinc/26/39/15/432263915.db2.gz PYHIMCWYDHVLJY-YOEHRIQHSA-N 1 0 311.372 3.415 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000183177287 432265655 /nfs/dbraw/zinc/26/56/55/432265655.db2.gz NFGFYBSIAWGCPQ-BXKDBHETSA-N 1 0 317.216 3.089 10 0 DGAERO C=Cn1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000248756007 432316022 /nfs/dbraw/zinc/31/60/22/432316022.db2.gz CRFYHCNRIALURO-IAGOWNOFSA-N 1 0 316.836 3.172 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)s1 ZINC000248746930 432316299 /nfs/dbraw/zinc/31/62/99/432316299.db2.gz SIGLGJJPGFKLMU-WCBMZHEXSA-N 1 0 308.369 3.206 10 0 DGAERO C[C@@H](C[NH2+]C1c2ccccc2-c2ccccc21)N1CCOCC1 ZINC000183692757 432317572 /nfs/dbraw/zinc/31/75/72/432317572.db2.gz MLJLAQAHTHRWRT-HNNXBMFYSA-N 1 0 308.425 3.067 10 0 DGAERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccc2cccnc21 ZINC000248768063 432318384 /nfs/dbraw/zinc/31/83/84/432318384.db2.gz AARVANFACHITNH-ZVZYQTTQSA-N 1 0 310.397 3.008 10 0 DGAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCC2CCCC2)CC1 ZINC000191979827 432319830 /nfs/dbraw/zinc/31/98/30/432319830.db2.gz OZHBGUGHADVELY-UHFFFAOYSA-N 1 0 324.509 3.305 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000248813189 432320903 /nfs/dbraw/zinc/32/09/03/432320903.db2.gz DAXXNBQLVOXXNJ-QAPCUYQASA-N 1 0 315.486 3.389 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2CCOc2ccc(Cl)c(F)c2)cn1 ZINC000191991979 432321881 /nfs/dbraw/zinc/32/18/81/432321881.db2.gz GAUCORZUKOUPLF-MRXNPFEDSA-N 1 0 323.799 3.429 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000152330720 432323398 /nfs/dbraw/zinc/32/33/98/432323398.db2.gz UDLVYCCWWCWBBL-MJGOQNOKSA-N 1 0 316.489 3.425 10 0 DGAERO C[C@](O)(C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cccc(Cl)c1 ZINC000248855951 432323488 /nfs/dbraw/zinc/32/34/88/432323488.db2.gz PHQLYFMRMVQYLL-KONPQCLYSA-N 1 0 323.864 3.341 10 0 DGAERO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000248855099 432323499 /nfs/dbraw/zinc/32/34/99/432323499.db2.gz MQHAIHITLYHVBP-MXSMSXNCSA-N 1 0 318.461 3.190 10 0 DGAERO CCC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000152328035 432324543 /nfs/dbraw/zinc/32/45/43/432324543.db2.gz LXEBRFSTZWUOEZ-AWEZNQCLSA-N 1 0 317.433 3.275 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@@H+]([C@H](C)c3nnnn3C3CC3)C2)c1 ZINC000248882609 432325911 /nfs/dbraw/zinc/32/59/11/432325911.db2.gz PWRNYQCSUGOGFP-HUUCEWRRSA-N 1 0 311.433 3.175 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000248874778 432326067 /nfs/dbraw/zinc/32/60/67/432326067.db2.gz QYHKLJGYJNVDQA-YLQAJVPDSA-N 1 0 303.402 3.066 10 0 DGAERO CSCc1cc(C(=O)NCCC2CC[NH+](C)CC2)ccc1F ZINC000174159567 432326435 /nfs/dbraw/zinc/32/64/35/432326435.db2.gz SLDNLEOJZDFGNG-UHFFFAOYSA-N 1 0 324.465 3.150 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nccn2-c2ccccc2)[C@@H](C)C1 ZINC000248897137 432327209 /nfs/dbraw/zinc/32/72/09/432327209.db2.gz UMKHXVLAYJUOBE-FUHWJXTLSA-N 1 0 312.461 3.034 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3c(cc(F)cc3C)[nH]2)C1 ZINC000174170837 432327587 /nfs/dbraw/zinc/32/75/87/432327587.db2.gz DVKZHNNQBDSODH-CQSZACIVSA-N 1 0 317.408 3.172 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000174171725 432327640 /nfs/dbraw/zinc/32/76/40/432327640.db2.gz XERVSRSKMJXZGE-MRXNPFEDSA-N 1 0 317.477 3.137 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)c(F)c1 ZINC000174197849 432329153 /nfs/dbraw/zinc/32/91/53/432329153.db2.gz FCWHSHKDMSIVGU-JSGCOSHPSA-N 1 0 320.387 3.018 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1F ZINC000174198549 432329456 /nfs/dbraw/zinc/32/94/56/432329456.db2.gz RLSODIMCJLKPFD-JSGCOSHPSA-N 1 0 320.387 3.018 10 0 DGAERO C[C@@H]1CN(C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CCO1 ZINC000183928296 432335179 /nfs/dbraw/zinc/33/51/79/432335179.db2.gz RTGJBDLLLMKMSK-CQSZACIVSA-N 1 0 324.415 3.309 10 0 DGAERO CCS(=O)(=O)CCCCC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000249039742 432335222 /nfs/dbraw/zinc/33/52/22/432335222.db2.gz GNQFPQRWQTZGQS-SJLPKXTDSA-N 1 0 323.502 3.469 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152490423 432335432 /nfs/dbraw/zinc/33/54/32/432335432.db2.gz HVQJKKQLBSZFMC-NVXWUHKLSA-N 1 0 318.461 3.383 10 0 DGAERO C[C@@H]1C[C@H](C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC(C)(C)C1 ZINC000183933621 432335966 /nfs/dbraw/zinc/33/59/66/432335966.db2.gz WMXPAOCNAALXMH-ZACQAIPSSA-N 1 0 306.494 3.393 10 0 DGAERO CSc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000174313146 432336646 /nfs/dbraw/zinc/33/66/46/432336646.db2.gz LZHNXOOBPQDVBF-DZGCQCFKSA-N 1 0 321.490 3.033 10 0 DGAERO CC[C@@H]1CN(Cc2ccc(C(F)F)cc2)CC[N@@H+]1CCOC ZINC000183939324 432336970 /nfs/dbraw/zinc/33/69/70/432336970.db2.gz JSTHTZMLPVGCLM-MRXNPFEDSA-N 1 0 312.404 3.167 10 0 DGAERO CSc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000174313171 432336922 /nfs/dbraw/zinc/33/69/22/432336922.db2.gz LZHNXOOBPQDVBF-ZFWWWQNUSA-N 1 0 321.490 3.033 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)on2)cn1 ZINC000249051392 432337018 /nfs/dbraw/zinc/33/70/18/432337018.db2.gz WXBDBTSFKBRMQM-CXAGYDPISA-N 1 0 300.406 3.230 10 0 DGAERO O=C1OCC[C@@H]1CC[N@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000249119194 432339950 /nfs/dbraw/zinc/33/99/50/432339950.db2.gz SKPFABBKDPQWMU-QWHCGFSZSA-N 1 0 309.356 3.097 10 0 DGAERO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)C(C)(C)O1 ZINC000152571271 432341445 /nfs/dbraw/zinc/34/14/45/432341445.db2.gz VMXLVSKMXZCDTH-DOTOQJQBSA-N 1 0 302.462 3.449 10 0 DGAERO CC1(C)C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)C(C)(C)O1 ZINC000152571365 432341742 /nfs/dbraw/zinc/34/17/42/432341742.db2.gz VMXLVSKMXZCDTH-WBVHZDCISA-N 1 0 302.462 3.449 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000249163622 432342014 /nfs/dbraw/zinc/34/20/14/432342014.db2.gz ZZDKVQDLNYPQOY-QRQLOZEOSA-N 1 0 302.462 3.056 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C2Cc3ccccc3C2)cc1NC(C)=O ZINC000184006265 432343234 /nfs/dbraw/zinc/34/32/34/432343234.db2.gz RHEQDRHGLCGESD-ZDUSSCGKSA-N 1 0 324.424 3.472 10 0 DGAERO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC000174417408 432345229 /nfs/dbraw/zinc/34/52/29/432345229.db2.gz DUJPBJXDAVMPFR-GOOCMWNKSA-N 1 0 305.397 3.271 10 0 DGAERO O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249378259 432346441 /nfs/dbraw/zinc/34/64/41/432346441.db2.gz NBFYIMKCENYJKI-MAZHCROVSA-N 1 0 311.385 3.201 10 0 DGAERO c1csc(Cn2cccc2C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249457040 432349025 /nfs/dbraw/zinc/34/90/25/432349025.db2.gz DPKQFMXWSKXPTN-BBWFWOEESA-N 1 0 302.443 3.255 10 0 DGAERO CC1(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)OCCCO1 ZINC000192250902 432349820 /nfs/dbraw/zinc/34/98/20/432349820.db2.gz LBKDIHPQXVQLPI-UHFFFAOYSA-N 1 0 307.287 3.087 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccnn1C ZINC000192250326 432349838 /nfs/dbraw/zinc/34/98/38/432349838.db2.gz OFDQQPKGTIJOOB-MRVPVSSYSA-N 1 0 300.225 3.095 10 0 DGAERO Cc1ccc(C[NH2+]CC2(C)OCCCO2)c(Br)c1 ZINC000192250887 432349997 /nfs/dbraw/zinc/34/99/97/432349997.db2.gz UOWSINNYGKNQPQ-UHFFFAOYSA-N 1 0 314.223 3.000 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@@H]1c1ccsc1 ZINC000249534088 432350894 /nfs/dbraw/zinc/35/08/94/432350894.db2.gz BXQACIHSOQABMU-QWHCGFSZSA-N 1 0 309.381 3.234 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000249709558 432354506 /nfs/dbraw/zinc/35/45/06/432354506.db2.gz COVXAAJEQKQFRX-QAPCUYQASA-N 1 0 316.445 3.091 10 0 DGAERO Cc1cccc(S(=O)(=O)CCC[N@@H+]2C[C@H](C)CC[C@H]2C)c1 ZINC000248608728 432306589 /nfs/dbraw/zinc/30/65/89/432306589.db2.gz FCAJBNYOIUIJEZ-HZPDHXFCSA-N 1 0 309.475 3.279 10 0 DGAERO Clc1ccc(-c2noc(CC[NH2+][C@H]3CCCSC3)n2)cc1 ZINC000183598937 432307370 /nfs/dbraw/zinc/30/73/70/432307370.db2.gz RATJNEHEXWMVGN-ZDUSSCGKSA-N 1 0 323.849 3.418 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CSC(C)(C)C)C12CCOCC2 ZINC000248652290 432309904 /nfs/dbraw/zinc/30/99/04/432309904.db2.gz YDROHSORIMDZFX-QLFBSQMISA-N 1 0 315.523 3.470 10 0 DGAERO c1coc(-c2ncc(C[NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)s2)c1 ZINC000248654652 432310244 /nfs/dbraw/zinc/31/02/44/432310244.db2.gz ARXKBPGMLJCKJI-BFHYXJOUSA-N 1 0 304.415 3.450 10 0 DGAERO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000248639867 432310576 /nfs/dbraw/zinc/31/05/76/432310576.db2.gz XUIYZJMDDQLRFK-MZMPZRCHSA-N 1 0 315.392 3.265 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)N1CCCCCC1 ZINC000152187614 432311822 /nfs/dbraw/zinc/31/18/22/432311822.db2.gz CJQRWXHMMOOZKZ-QWHCGFSZSA-N 1 0 310.388 3.407 10 0 DGAERO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H](C)c1nc2ccccc2s1 ZINC000152195157 432312261 /nfs/dbraw/zinc/31/22/61/432312261.db2.gz GFQPUDVIJWMTAI-VXGBXAGGSA-N 1 0 300.431 3.312 10 0 DGAERO O=C(N[C@@H]1CCCc2sccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248735672 432314095 /nfs/dbraw/zinc/31/40/95/432314095.db2.gz PTVMSBOQEMUAJY-DZGCQCFKSA-N 1 0 319.474 3.005 10 0 DGAERO CSCc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248737427 432314563 /nfs/dbraw/zinc/31/45/63/432314563.db2.gz PKTFZEQDVIMBSC-CZUORRHYSA-N 1 0 321.490 3.400 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248736787 432315190 /nfs/dbraw/zinc/31/51/90/432315190.db2.gz DROPRQPMNOSHAT-RRQGHBQHSA-N 1 0 311.372 3.200 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000184263119 432373149 /nfs/dbraw/zinc/37/31/49/432373149.db2.gz SGWWGUXAWQICTE-MRXNPFEDSA-N 1 0 313.376 3.094 10 0 DGAERO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1N(C)C ZINC000174917372 432379000 /nfs/dbraw/zinc/37/90/00/432379000.db2.gz NGCNBLOHIHNRDD-ZBFHGGJFSA-N 1 0 318.465 3.007 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000184357215 432383332 /nfs/dbraw/zinc/38/33/32/432383332.db2.gz FUTAANWTJKXYBK-CRAIPNDOSA-N 1 0 309.413 3.236 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2CCSCc2ccccc2)cn1 ZINC000192571237 432389351 /nfs/dbraw/zinc/38/93/51/432389351.db2.gz AMRFXZLLBCRLML-KRWDZBQOSA-N 1 0 301.459 3.490 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1OC ZINC000175005188 432389483 /nfs/dbraw/zinc/38/94/83/432389483.db2.gz RETXYYBSHTUKKW-UONOGXRCSA-N 1 0 322.836 3.047 10 0 DGAERO CC(C)C[NH+]1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175018345 432390735 /nfs/dbraw/zinc/39/07/35/432390735.db2.gz WGAUFVCDNGZBRY-UHFFFAOYSA-N 1 0 317.408 3.254 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](OC(C)(C)C)c2ccccc2)C1 ZINC000153208756 432392080 /nfs/dbraw/zinc/39/20/80/432392080.db2.gz JXVXCIBVAZGTEJ-DLBZAZTESA-N 1 0 318.461 3.143 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cc2ccccc2)C1 ZINC000192603217 432392084 /nfs/dbraw/zinc/39/20/84/432392084.db2.gz LNYHMQCLAHPNNP-IAGOWNOFSA-N 1 0 302.462 3.103 10 0 DGAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)ccn1 ZINC000175086167 432395971 /nfs/dbraw/zinc/39/59/71/432395971.db2.gz XTVASIDCDCVYRP-CHWSQXEVSA-N 1 0 319.405 3.022 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC000192666040 432398052 /nfs/dbraw/zinc/39/80/52/432398052.db2.gz HIXSFGQFYHARQK-SJLPKXTDSA-N 1 0 324.509 3.020 10 0 DGAERO Clc1ccc2[nH+]c(N3CCCC3)cc(N3CCOCC3)c2c1 ZINC000253495307 432399052 /nfs/dbraw/zinc/39/90/52/432399052.db2.gz YAYJEQMNXMUHIW-UHFFFAOYSA-N 1 0 317.820 3.325 10 0 DGAERO COCCC[C@@H](C)[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184516950 432399362 /nfs/dbraw/zinc/39/93/62/432399362.db2.gz BAUQBPJFVFQDHW-ACJLOTCBSA-N 1 0 322.424 3.024 10 0 DGAERO Cc1ccc(C[C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000175147062 432402636 /nfs/dbraw/zinc/40/26/36/432402636.db2.gz RJNGWQNNZSPYCH-GUTXKFCHSA-N 1 0 323.506 3.112 10 0 DGAERO CC(C)(C)Oc1ccc(NC(=O)C2([NH3+])Cc3ccccc3C2)cc1 ZINC000153380257 432404040 /nfs/dbraw/zinc/40/40/40/432404040.db2.gz UCOOYKCQYRIUBH-UHFFFAOYSA-N 1 0 324.424 3.299 10 0 DGAERO COc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1F ZINC000249866963 432358990 /nfs/dbraw/zinc/35/89/90/432358990.db2.gz IHBSHWNCKCBLPV-RFQIPJPRSA-N 1 0 322.424 3.273 10 0 DGAERO CN1CC[C@H](C[NH2+]Cc2cocn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192338724 432362306 /nfs/dbraw/zinc/36/23/06/432362306.db2.gz VYFBGRQOXZOKAX-WBMJQRKESA-N 1 0 323.799 3.250 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000249960331 432362597 /nfs/dbraw/zinc/36/25/97/432362597.db2.gz JNCKLBVWFZEXSU-RPTUDFQQSA-N 1 0 308.425 3.058 10 0 DGAERO C[C@]1(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CCC[N@@H+]1Cc1ccccc1 ZINC000250101328 432364500 /nfs/dbraw/zinc/36/45/00/432364500.db2.gz RLNUESOIAPCCSS-DOADOZAASA-N 1 0 312.457 3.203 10 0 DGAERO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192364306 432365826 /nfs/dbraw/zinc/36/58/26/432365826.db2.gz WITUMKOFNBWZLD-WMLDXEAASA-N 1 0 316.445 3.150 10 0 DGAERO CC(C)c1cnc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000192391688 432367975 /nfs/dbraw/zinc/36/79/75/432367975.db2.gz JHZXJHROQZMEHR-CYBMUJFWSA-N 1 0 322.478 3.359 10 0 DGAERO O=C(CC[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccccc1 ZINC000152925650 432368838 /nfs/dbraw/zinc/36/88/38/432368838.db2.gz SCNYAJLEVAKBJC-SFHVURJKSA-N 1 0 316.445 3.439 10 0 DGAERO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccccc1F ZINC000152927944 432369034 /nfs/dbraw/zinc/36/90/34/432369034.db2.gz GKAVVHFSUDIGEG-HNNXBMFYSA-N 1 0 320.408 3.188 10 0 DGAERO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccnn1C ZINC000192936222 432431352 /nfs/dbraw/zinc/43/13/52/432431352.db2.gz GWOGGHMJUAIGDB-SOLBZPMBSA-N 1 0 312.461 3.124 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000184803416 432434754 /nfs/dbraw/zinc/43/47/54/432434754.db2.gz KLGDBOHPIQHJCP-RMKNXTFCSA-N 1 0 323.440 3.316 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2cc(F)ccc12 ZINC000192965878 432435818 /nfs/dbraw/zinc/43/58/18/432435818.db2.gz IOPCNYSOAWIGCF-UONOGXRCSA-N 1 0 315.392 3.006 10 0 DGAERO c1sc2ccccc2c1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261663852 432439706 /nfs/dbraw/zinc/43/97/06/432439706.db2.gz HDAJSXFOEBJIHR-QGZVFWFLSA-N 1 0 309.438 3.443 10 0 DGAERO [NH3+]C1(c2noc([C@H]3C[C@@H]3c3ccc(F)c(F)c3)n2)CCCC1 ZINC000261694661 432442061 /nfs/dbraw/zinc/44/20/61/432442061.db2.gz HRKQHVQVFPGYTA-MNOVXSKESA-N 1 0 305.328 3.347 10 0 DGAERO FC(F)(F)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261691702 432442573 /nfs/dbraw/zinc/44/25/73/432442573.db2.gz JBAQWKHBQFMUQC-MRXNPFEDSA-N 1 0 321.346 3.247 10 0 DGAERO CCc1csc([C@H]2CCC[N@H+](Cc3cnc(N)s3)C2)n1 ZINC000261692685 432443186 /nfs/dbraw/zinc/44/31/86/432443186.db2.gz BANHHLBWBZHEDH-JTQLQIEISA-N 1 0 308.476 3.124 10 0 DGAERO CCc1csc([C@@H]2CCC[N@H+](Cc3cnc(N)s3)C2)n1 ZINC000261692689 432443245 /nfs/dbraw/zinc/44/32/45/432443245.db2.gz BANHHLBWBZHEDH-SNVBAGLBSA-N 1 0 308.476 3.124 10 0 DGAERO CC(C)Oc1ccccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261722685 432444798 /nfs/dbraw/zinc/44/47/98/432444798.db2.gz LEYOJKSROOODGF-GOSISDBHSA-N 1 0 311.429 3.015 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1csc2c1CCCC2 ZINC000261755914 432447576 /nfs/dbraw/zinc/44/75/76/432447576.db2.gz FPQYOJPTLSSUJV-JPZVUWATSA-N 1 0 318.486 3.263 10 0 DGAERO Cc1cc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc2cccnc12 ZINC000261773401 432448100 /nfs/dbraw/zinc/44/81/00/432448100.db2.gz SISCPFSPMQJFLO-IBGZPJMESA-N 1 0 318.424 3.085 10 0 DGAERO Fc1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)c(Cl)c1Cl ZINC000261762724 432448468 /nfs/dbraw/zinc/44/84/68/432448468.db2.gz DDIDPHHQMJMCES-NSHDSACASA-N 1 0 303.208 3.459 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H]3c3ccccc3)on2)cn1 ZINC000184970556 432450472 /nfs/dbraw/zinc/45/04/72/432450472.db2.gz HMZYQXJFWTWQFH-GOSISDBHSA-N 1 0 308.385 3.412 10 0 DGAERO [NH3+]C1(c2noc(CCOc3ccc(Cl)cc3)n2)CCCC1 ZINC000261791550 432451498 /nfs/dbraw/zinc/45/14/98/432451498.db2.gz OOMCQGMXKJNLAN-UHFFFAOYSA-N 1 0 307.781 3.073 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2scnc2C2CCCC2)CC[N@@H+]1C ZINC000184976753 432452159 /nfs/dbraw/zinc/45/21/59/432452159.db2.gz IDHLPPFZUHFAME-OCCSQVGLSA-N 1 0 321.490 3.355 10 0 DGAERO C[C@H]([NH3+])CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000261827068 432453845 /nfs/dbraw/zinc/45/38/45/432453845.db2.gz IYMBXKMEZOSXBO-XPTSAGLGSA-N 1 0 300.324 3.010 10 0 DGAERO CN(Cc1coc(-c2ccc(F)cc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261837935 432453949 /nfs/dbraw/zinc/45/39/49/432453949.db2.gz YHQTVCWMCOXQSI-FKEKPDDDSA-N 1 0 315.392 3.196 10 0 DGAERO FC(F)(F)c1cccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261844740 432454144 /nfs/dbraw/zinc/45/41/44/432454144.db2.gz URYIEUOOTVVICF-INIZCTEOSA-N 1 0 321.346 3.247 10 0 DGAERO CCC[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccnc1 ZINC000184989225 432454326 /nfs/dbraw/zinc/45/43/26/432454326.db2.gz KPPCSUGSICBTDP-KRWDZBQOSA-N 1 0 307.401 3.293 10 0 DGAERO CC1(C)CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000261830378 432455003 /nfs/dbraw/zinc/45/50/03/432455003.db2.gz XOTBESWBJJJRDZ-INIZCTEOSA-N 1 0 313.445 3.123 10 0 DGAERO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000175710643 432457033 /nfs/dbraw/zinc/45/70/33/432457033.db2.gz HRGXJDYFFRPCDX-CVEARBPZSA-N 1 0 317.477 3.275 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000185028928 432457831 /nfs/dbraw/zinc/45/78/31/432457831.db2.gz HTZDAHSPQWFSGQ-UHFFFAOYSA-N 1 0 315.417 3.112 10 0 DGAERO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccnn1C ZINC000192755355 432410856 /nfs/dbraw/zinc/41/08/56/432410856.db2.gz MUHOIHICTKZQBY-NSHDSACASA-N 1 0 313.323 3.169 10 0 DGAERO CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000192784928 432413097 /nfs/dbraw/zinc/41/30/97/432413097.db2.gz QKSPJNFILKFUFP-INIZCTEOSA-N 1 0 323.912 3.407 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1ccnn1C ZINC000192776136 432413751 /nfs/dbraw/zinc/41/37/51/432413751.db2.gz DVFRSNUHGUZWIB-AEFFLSMTSA-N 1 0 312.461 3.125 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000175241041 432415789 /nfs/dbraw/zinc/41/57/89/432415789.db2.gz ADSQXPHQDLNSMR-MIGBEJBISA-N 1 0 315.461 3.371 10 0 DGAERO Cn1ccnc1C[C@@H]1CCC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000184699742 432422281 /nfs/dbraw/zinc/42/22/81/432422281.db2.gz LUQJZCUWSMBBRU-NSHDSACASA-N 1 0 324.683 3.435 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1cccs1 ZINC000192870496 432424222 /nfs/dbraw/zinc/42/42/22/432424222.db2.gz CHKYBOXNPWCTLL-NSHDSACASA-N 1 0 308.834 3.369 10 0 DGAERO Fc1cc(-c2ccncc2)ccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262063162 432471725 /nfs/dbraw/zinc/47/17/25/432471725.db2.gz RIQQFEPQVLNYJA-LJQANCHMSA-N 1 0 311.404 3.073 10 0 DGAERO NCc1nc(C[NH+](CC2CCCCC2)CC2CCCCC2)no1 ZINC000262148070 432476950 /nfs/dbraw/zinc/47/69/50/432476950.db2.gz FQNPPDXFZFLCFL-UHFFFAOYSA-N 1 0 320.481 3.491 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCCC[C@@H]2[C@H](C)[NH3+])s1 ZINC000262244650 432478449 /nfs/dbraw/zinc/47/84/49/432478449.db2.gz WLASILAHWOADCI-WCBMZHEXSA-N 1 0 307.385 3.172 10 0 DGAERO CCCC1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000154208648 432483157 /nfs/dbraw/zinc/48/31/57/432483157.db2.gz ZZFLSEIUGXUOTL-INIZCTEOSA-N 1 0 307.482 3.227 10 0 DGAERO CSc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175984707 432483661 /nfs/dbraw/zinc/48/36/61/432483661.db2.gz RDALAHAUZNFBEK-LSDHHAIUSA-N 1 0 321.490 3.081 10 0 DGAERO CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000262544634 432489136 /nfs/dbraw/zinc/48/91/36/432489136.db2.gz RQCSLNMTNZSYQH-ZDUSSCGKSA-N 1 0 315.339 3.311 10 0 DGAERO C[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262547074 432490055 /nfs/dbraw/zinc/49/00/55/432490055.db2.gz ODTKLOLUMUYOKG-FZMZJTMJSA-N 1 0 314.351 3.354 10 0 DGAERO CCn1c2cccc(F)c2nc1C[N@H+](C)[C@@H](CO)CC(C)C ZINC000185326696 432490658 /nfs/dbraw/zinc/49/06/58/432490658.db2.gz ZFVLVLBMACSVGG-CYBMUJFWSA-N 1 0 307.413 3.034 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000185330104 432491569 /nfs/dbraw/zinc/49/15/69/432491569.db2.gz WBEHKMWQLZIGIH-INIZCTEOSA-N 1 0 306.381 3.320 10 0 DGAERO COc1ccc(-c2nc(C[N@H+](C)[C@@H](CO)CC(C)C)co2)cc1 ZINC000185316883 432491752 /nfs/dbraw/zinc/49/17/52/432491752.db2.gz CUWICPWJUVXOKR-MRXNPFEDSA-N 1 0 318.417 3.189 10 0 DGAERO O=C(CN1CCC[C@H](C(F)(F)F)C1)N(C1CC1)C1CCCC1 ZINC000193700582 432492034 /nfs/dbraw/zinc/49/20/34/432492034.db2.gz KXZLGYNPJFAJTC-LBPRGKRZSA-N 1 0 318.383 3.194 10 0 DGAERO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000185352490 432493903 /nfs/dbraw/zinc/49/39/03/432493903.db2.gz SZXJNMPJAZEALU-KBPBESRZSA-N 1 0 317.401 3.070 10 0 DGAERO C[C@@H](CC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)[C@@H]1CCC[NH2+]C1 ZINC000262620500 432495060 /nfs/dbraw/zinc/49/50/60/432495060.db2.gz OUSXQPVTJQGRDP-UYUGIJINSA-N 1 0 304.478 3.049 10 0 DGAERO Cc1cccc2c(NC[C@@H]3CC(=O)N(C4CC4)C3)c(C)c[nH+]c12 ZINC000185370710 432495483 /nfs/dbraw/zinc/49/54/83/432495483.db2.gz LWPRUWOACILSCY-AWEZNQCLSA-N 1 0 309.413 3.274 10 0 DGAERO CCC1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000193763611 432496109 /nfs/dbraw/zinc/49/61/09/432496109.db2.gz SLLZWKARHMSMDL-UHFFFAOYSA-N 1 0 307.482 3.129 10 0 DGAERO COc1ccc2nc(C[N@H+](C)[C@H](CO)CC(C)C)sc2c1 ZINC000185373116 432496414 /nfs/dbraw/zinc/49/64/14/432496414.db2.gz HZHWAYROCOVBHR-LBPRGKRZSA-N 1 0 308.447 3.144 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)C1 ZINC000262647506 432496403 /nfs/dbraw/zinc/49/64/03/432496403.db2.gz SYQPLPGFNQDFAL-ZIAGYGMSSA-N 1 0 311.385 3.285 10 0 DGAERO CC1CCC(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000193753950 432496989 /nfs/dbraw/zinc/49/69/89/432496989.db2.gz ZLCGHRUYTRQWTE-UHFFFAOYSA-N 1 0 321.509 3.330 10 0 DGAERO CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000193815174 432500463 /nfs/dbraw/zinc/50/04/63/432500463.db2.gz FTKJAQIOQRKOCL-HNNXBMFYSA-N 1 0 317.477 3.163 10 0 DGAERO CCCCN(CC)c1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000262811882 432504176 /nfs/dbraw/zinc/50/41/76/432504176.db2.gz OUYYLCOZNOCTSE-CRAIPNDOSA-N 1 0 317.477 3.041 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)cc1Cl ZINC000176257616 432504288 /nfs/dbraw/zinc/50/42/88/432504288.db2.gz JGKGXXKHBFNWKB-LBPRGKRZSA-N 1 0 313.804 3.427 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)ccc1C ZINC000193857090 432504689 /nfs/dbraw/zinc/50/46/89/432504689.db2.gz BZYHIDHUXNOEHY-HNNXBMFYSA-N 1 0 315.417 3.150 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1nc2ccccc2s1 ZINC000176254599 432504667 /nfs/dbraw/zinc/50/46/67/432504667.db2.gz FJMOHJPERLVHLC-GFCCVEGCSA-N 1 0 318.446 3.244 10 0 DGAERO COC(=O)[C@@H]1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185492173 432505003 /nfs/dbraw/zinc/50/50/03/432505003.db2.gz QKDGDCPWBPNLTN-OTTFEQOBSA-N 1 0 307.356 3.240 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(C)(C)CCCc1ccccc1 ZINC000262835022 432505019 /nfs/dbraw/zinc/50/50/19/432505019.db2.gz QTOCPTSMIGDOCD-RDJZCZTQSA-N 1 0 302.462 3.150 10 0 DGAERO CCCOc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000176290023 432508279 /nfs/dbraw/zinc/50/82/79/432508279.db2.gz OUBPXMKFACJLBI-MRXNPFEDSA-N 1 0 319.449 3.423 10 0 DGAERO CCc1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)ccc1C ZINC000261905772 432460458 /nfs/dbraw/zinc/46/04/58/432460458.db2.gz PMEQSJONLYWFIA-GPMSIDNRSA-N 1 0 316.445 3.028 10 0 DGAERO c1c2ccccc2sc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261920624 432460701 /nfs/dbraw/zinc/46/07/01/432460701.db2.gz KFTYZSFJUFXXCY-BRWVUGGUSA-N 1 0 316.470 3.148 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2ncsc2c1 ZINC000193268100 432460866 /nfs/dbraw/zinc/46/08/66/432460866.db2.gz LHGOBJPXWUWHCR-CYBMUJFWSA-N 1 0 305.447 3.002 10 0 DGAERO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261948953 432464416 /nfs/dbraw/zinc/46/44/16/432464416.db2.gz NZTWGUVVMJYKAF-UHOSZYNNSA-N 1 0 316.489 3.019 10 0 DGAERO CC(C)c1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261959541 432464693 /nfs/dbraw/zinc/46/46/93/432464693.db2.gz XLNCRWHKVOTTAF-JTDSTZFVSA-N 1 0 316.445 3.281 10 0 DGAERO CC1CC[NH+](CCN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)CC1 ZINC000154026742 432464923 /nfs/dbraw/zinc/46/49/23/432464923.db2.gz RSAFLRIPJYFPFD-LPHOPBHVSA-N 1 0 320.452 3.319 10 0 DGAERO Cc1oc(-c2cccs2)nc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261979003 432465373 /nfs/dbraw/zinc/46/53/73/432465373.db2.gz RBOCBNQCDCDQMY-PBWFPOADSA-N 1 0 317.458 3.426 10 0 DGAERO CCc1oc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1C ZINC000154045678 432466309 /nfs/dbraw/zinc/46/63/09/432466309.db2.gz FWVDMPNLNYYPMM-HNNXBMFYSA-N 1 0 304.434 3.241 10 0 DGAERO CCc1oc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1C ZINC000154045543 432467573 /nfs/dbraw/zinc/46/75/73/432467573.db2.gz FWVDMPNLNYYPMM-OAHLLOKOSA-N 1 0 304.434 3.241 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CCc2cc(OCCC)ccc2C1 ZINC000193385062 432470062 /nfs/dbraw/zinc/47/00/62/432470062.db2.gz YVDKSEXYIDOEBP-GOSISDBHSA-N 1 0 321.461 3.011 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000175840142 432470176 /nfs/dbraw/zinc/47/01/76/432470176.db2.gz OOHGMDFSACFNHY-SWLSCSKDSA-N 1 0 300.406 3.114 10 0 DGAERO CCn1nc(CN(CC[NH3+])CCc2ccccc2)c2ccccc21 ZINC000262052525 432470953 /nfs/dbraw/zinc/47/09/53/432470953.db2.gz QKDSNSHPNRCQBC-UHFFFAOYSA-N 1 0 322.456 3.060 10 0 DGAERO C[C@H]1CCC[C@H]1CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000185951088 432548690 /nfs/dbraw/zinc/54/86/90/432548690.db2.gz RHOKMFLDOXKTBE-ZFWWWQNUSA-N 1 0 306.425 3.330 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000155417497 432554269 /nfs/dbraw/zinc/55/42/69/432554269.db2.gz CBVSMXPVKMWGKD-BBRMVZONSA-N 1 0 308.491 3.224 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C/C=C/c1cccc(F)c1 ZINC000176866584 432559232 /nfs/dbraw/zinc/55/92/32/432559232.db2.gz MZLKZXBSISJTML-YCVPZWQRSA-N 1 0 304.409 3.028 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1OC ZINC000186120077 432560288 /nfs/dbraw/zinc/56/02/88/432560288.db2.gz ONMVVFHHLMZAGI-DGCLKSJQSA-N 1 0 307.415 3.150 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C/C=C/c2cccc(F)c2)CC[N@@H+]1C ZINC000176869616 432560453 /nfs/dbraw/zinc/56/04/53/432560453.db2.gz LIUSZABXJXSMQE-UHZVSMRUSA-N 1 0 304.409 3.170 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCSc2ccc(F)cc2)C1 ZINC000155607755 432563569 /nfs/dbraw/zinc/56/35/69/432563569.db2.gz DBOYQPPSJJJINE-CJNGLKHVSA-N 1 0 324.465 3.153 10 0 DGAERO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000176340673 432513794 /nfs/dbraw/zinc/51/37/94/432513794.db2.gz FLSBQCQJMSWYEQ-OAHLLOKOSA-N 1 0 304.434 3.107 10 0 DGAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000263057515 432516231 /nfs/dbraw/zinc/51/62/31/432516231.db2.gz VAVJMVHKEIVHGS-QUCCMNQESA-N 1 0 323.440 3.272 10 0 DGAERO Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)Cc2ccccc2)o1 ZINC000194021282 432516483 /nfs/dbraw/zinc/51/64/83/432516483.db2.gz LTFIYYFBWLUFIG-LSDHHAIUSA-N 1 0 300.402 3.286 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000176385634 432517870 /nfs/dbraw/zinc/51/78/70/432517870.db2.gz OURNVXKVQKVXNN-AEFFLSMTSA-N 1 0 317.477 3.224 10 0 DGAERO Cc1ccc(CN(C)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000194069218 432522284 /nfs/dbraw/zinc/52/22/84/432522284.db2.gz LHTOUTZSMCEBGJ-GJZGRUSLSA-N 1 0 321.465 3.097 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(C(F)(F)F)cs1 ZINC000154818608 432523431 /nfs/dbraw/zinc/52/34/31/432523431.db2.gz WUPVKYBWVICZCM-SNVBAGLBSA-N 1 0 307.385 3.078 10 0 DGAERO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000194143373 432527893 /nfs/dbraw/zinc/52/78/93/432527893.db2.gz ZOYBGCKRLVRHMZ-HZSPNIEDSA-N 1 0 320.399 3.298 10 0 DGAERO C[C@H]1CCC[N@@H+]1C1CCN(c2nnc(C(C)(C)C)s2)CC1 ZINC000154934660 432529400 /nfs/dbraw/zinc/52/94/00/432529400.db2.gz LFBDYJHMUXXKFX-LBPRGKRZSA-N 1 0 308.495 3.289 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)oc2ccccc21 ZINC000185755715 432530407 /nfs/dbraw/zinc/53/04/07/432530407.db2.gz VLZQPTOBEGWGJW-AWEZNQCLSA-N 1 0 300.402 3.298 10 0 DGAERO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000185753240 432530675 /nfs/dbraw/zinc/53/06/75/432530675.db2.gz AXZSREMPISWHCA-CABCVRRESA-N 1 0 314.433 3.300 10 0 DGAERO OCC1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCCC1 ZINC000185802739 432533145 /nfs/dbraw/zinc/53/31/45/432533145.db2.gz XIJJPXSBKHBVIN-UHFFFAOYSA-N 1 0 317.351 3.270 10 0 DGAERO Fc1ccc(-c2csc(N3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000176709130 432545172 /nfs/dbraw/zinc/54/51/72/432545172.db2.gz UYTLEFYXGPYWJK-CQSZACIVSA-N 1 0 303.406 3.234 10 0 DGAERO Clc1ccsc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000194376216 432546992 /nfs/dbraw/zinc/54/69/92/432546992.db2.gz FJUWGAAODGGOEY-CYBMUJFWSA-N 1 0 314.882 3.088 10 0 DGAERO CC(C)n1nnnc1C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000195119622 432606129 /nfs/dbraw/zinc/60/61/29/432606129.db2.gz HETCMYRTXBONQM-UHFFFAOYSA-N 1 0 313.449 3.241 10 0 DGAERO CCC[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)[NH+](C)C ZINC000156774550 432608041 /nfs/dbraw/zinc/60/80/41/432608041.db2.gz VPIHLXQVFWCVLH-CQSZACIVSA-N 1 0 303.431 3.479 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2ccccc2C)C12CCOCC2 ZINC000186209228 432570216 /nfs/dbraw/zinc/57/02/16/432570216.db2.gz IDCZZUHBZUAJDM-MSOLQXFVSA-N 1 0 303.446 3.101 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000176984554 432572958 /nfs/dbraw/zinc/57/29/58/432572958.db2.gz ZTWWHBJLOHEFLO-AWEZNQCLSA-N 1 0 314.351 3.262 10 0 DGAERO CCc1noc(C)c1NC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000155767469 432573407 /nfs/dbraw/zinc/57/34/07/432573407.db2.gz BYZGIOGPFNQLKT-AWEZNQCLSA-N 1 0 322.453 3.035 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000177010877 432574786 /nfs/dbraw/zinc/57/47/86/432574786.db2.gz XXSGKKOPWMTNGW-AWEZNQCLSA-N 1 0 314.351 3.262 10 0 DGAERO CCCOc1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000177028682 432578554 /nfs/dbraw/zinc/57/85/54/432578554.db2.gz KUTHFOZAYXZHAP-MRXNPFEDSA-N 1 0 304.434 3.032 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1F ZINC000177092138 432584852 /nfs/dbraw/zinc/58/48/52/432584852.db2.gz LFUKXEVZXIWFRB-ZYHUDNBSSA-N 1 0 311.788 3.180 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNCc1ccc2c(c1)COC(C)(C)O2 ZINC000186362984 432585692 /nfs/dbraw/zinc/58/56/92/432585692.db2.gz VVFCKSBLKFQVEL-AWEZNQCLSA-N 1 0 306.450 3.152 10 0 DGAERO CCn1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c2ccccc21 ZINC000177140990 432588697 /nfs/dbraw/zinc/58/86/97/432588697.db2.gz DQMCBIAFIWPJCT-YOEHRIQHSA-N 1 0 313.445 3.120 10 0 DGAERO OC1(CN[C@@H](c2cccs2)c2ncc[nH]2)CCCCCC1 ZINC000195038907 432595939 /nfs/dbraw/zinc/59/59/39/432595939.db2.gz SYMMSNGMUSVZQI-AWEZNQCLSA-N 1 0 305.447 3.236 10 0 DGAERO COC(=O)c1ccccc1CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000186458085 432597518 /nfs/dbraw/zinc/59/75/18/432597518.db2.gz BSOALXHCMMVZRR-ZDUSSCGKSA-N 1 0 315.335 3.290 10 0 DGAERO COc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000195054354 432598028 /nfs/dbraw/zinc/59/80/28/432598028.db2.gz ANMUYURPXPYPTG-GOOCMWNKSA-N 1 0 317.433 3.140 10 0 DGAERO C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccnc1 ZINC000177237982 432601926 /nfs/dbraw/zinc/60/19/26/432601926.db2.gz CVXPWCJYJWCCBO-HNNXBMFYSA-N 1 0 315.461 3.098 10 0 DGAERO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c1 ZINC000177240730 432603311 /nfs/dbraw/zinc/60/33/11/432603311.db2.gz NBQFYXJHTWYSDL-CXAGYDPISA-N 1 0 301.386 3.088 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC000156708886 432604494 /nfs/dbraw/zinc/60/44/94/432604494.db2.gz WURKHKSRDZQVSH-OFQRWUPVSA-N 1 0 319.424 3.073 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)CCCc1ccccc1 ZINC000186665143 432620286 /nfs/dbraw/zinc/62/02/86/432620286.db2.gz DWGSEEWLCFITLH-NVXWUHKLSA-N 1 0 302.462 3.150 10 0 DGAERO CCOc1ccc(OCC[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000157459198 432621167 /nfs/dbraw/zinc/62/11/67/432621167.db2.gz WDTFXAPAUCXFET-UHFFFAOYSA-N 1 0 320.458 3.404 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000186684995 432622757 /nfs/dbraw/zinc/62/27/57/432622757.db2.gz GFUJSIUMBNUNBX-CJNGLKHVSA-N 1 0 320.864 3.266 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(SC)cc1 ZINC000177430045 432624145 /nfs/dbraw/zinc/62/41/45/432624145.db2.gz QRSINPIDWWELCR-HNNXBMFYSA-N 1 0 321.490 3.034 10 0 DGAERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCc2ccccc21 ZINC000159176909 281970068 /nfs/dbraw/zinc/97/00/68/281970068.db2.gz LDBYXJKUNKULKA-VQTJNVASSA-N 1 0 322.452 3.353 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCCCCSC)C12CCOCC2 ZINC000186772923 432629797 /nfs/dbraw/zinc/62/97/97/432629797.db2.gz AVLKDBGCYOYARF-GJZGRUSLSA-N 1 0 301.496 3.084 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C)c1C ZINC000177495801 432631151 /nfs/dbraw/zinc/63/11/51/432631151.db2.gz PBLYVXNXOCPIJL-JKSUJKDBSA-N 1 0 301.434 3.394 10 0 DGAERO CCOc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000177506783 432632690 /nfs/dbraw/zinc/63/26/90/432632690.db2.gz XQRJGBYFIBWXJR-HUUCEWRRSA-N 1 0 317.433 3.176 10 0 DGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000186850294 432632835 /nfs/dbraw/zinc/63/28/35/432632835.db2.gz PYGKYTABSMHPLM-GJZGRUSLSA-N 1 0 303.512 3.396 10 0 DGAERO Cc1cc(=O)[nH]cc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000177536227 432635276 /nfs/dbraw/zinc/63/52/76/432635276.db2.gz MDEDDBLQIQTNJR-UHFFFAOYSA-N 1 0 324.384 3.109 10 0 DGAERO CCCc1cccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000187130692 432648091 /nfs/dbraw/zinc/64/80/91/432648091.db2.gz CACIUBMOYGYSJU-GOSISDBHSA-N 1 0 310.445 3.188 10 0 DGAERO O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000212704067 432641080 /nfs/dbraw/zinc/64/10/80/432641080.db2.gz BYYZLENPNKJEHB-IUODEOHRSA-N 1 0 310.800 3.083 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc(C(C)C)cs2)[C@H](C)C1 ZINC000177858053 432668849 /nfs/dbraw/zinc/66/88/49/432668849.db2.gz ZFEZWGPEMVQFGE-TZMCWYRMSA-N 1 0 324.494 3.461 10 0 DGAERO C[NH+](C)CC1(C(=O)Nc2cccc3c2OCCC3)CCCCC1 ZINC000468789759 282064178 /nfs/dbraw/zinc/06/41/78/282064178.db2.gz BIXOKUITFWQBNP-UHFFFAOYSA-N 1 0 316.445 3.462 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000177704317 432652859 /nfs/dbraw/zinc/65/28/59/432652859.db2.gz UFXVYYKFOUZSAA-DLBZAZTESA-N 1 0 317.477 3.047 10 0 DGAERO CCn1c2cccc(F)c2nc1CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177714855 432653731 /nfs/dbraw/zinc/65/37/31/432653731.db2.gz WEBXEWQWUQDEOK-AWEZNQCLSA-N 1 0 318.440 3.111 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNCc1ccc(Br)c(F)c1 ZINC000217839057 432656143 /nfs/dbraw/zinc/65/61/43/432656143.db2.gz ZNGUJOUOLJJVBV-NSHDSACASA-N 1 0 317.246 3.408 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2CO)ccc1Br ZINC000219388662 432661874 /nfs/dbraw/zinc/66/18/74/432661874.db2.gz PJKXXPZYMFPHEU-DZGCQCFKSA-N 1 0 312.251 3.398 10 0 DGAERO COc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1F ZINC000159034712 432665650 /nfs/dbraw/zinc/66/56/50/432665650.db2.gz YLVKVBHQCCXZTN-UHFFFAOYSA-N 1 0 323.412 3.076 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCOc1cccc(Cl)c1)CC2 ZINC000220383015 432666651 /nfs/dbraw/zinc/66/66/51/432666651.db2.gz AFIVOMRZHRKFAI-WMLDXEAASA-N 1 0 309.837 3.346 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187923003 432692952 /nfs/dbraw/zinc/69/29/52/432692952.db2.gz WOZNSTARNRFFNE-YVEFUNNKSA-N 1 0 324.852 3.070 10 0 DGAERO Cc1ccc(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c(Cl)c1 ZINC000187923067 432692986 /nfs/dbraw/zinc/69/29/86/432692986.db2.gz CMDAOOBBPRNUBK-SUMWQHHRSA-N 1 0 324.852 3.070 10 0 DGAERO C[NH+](C)C1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000159735042 432693048 /nfs/dbraw/zinc/69/30/48/432693048.db2.gz JBULFQWYQBJGKE-UHFFFAOYSA-N 1 0 318.646 3.028 10 0 DGAERO Cc1ccccc1-c1cnc(NC(=O)CC2([NH3+])CCC2)s1 ZINC000225473740 432693346 /nfs/dbraw/zinc/69/33/46/432693346.db2.gz ZNGFAEBPCONLET-UHFFFAOYSA-N 1 0 301.415 3.329 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2csc(Br)c2)C1 ZINC000187939739 432695505 /nfs/dbraw/zinc/69/55/05/432695505.db2.gz PZHWXUAMZZDPQL-MFKMUULPSA-N 1 0 318.280 3.494 10 0 DGAERO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(CCO)CC1 ZINC000188048874 432700854 /nfs/dbraw/zinc/70/08/54/432700854.db2.gz YBWLPCMQGCEGBY-OAHLLOKOSA-N 1 0 318.461 3.279 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+]CCc2cccc(C(N)=O)c2)s1 ZINC000178165057 432701515 /nfs/dbraw/zinc/70/15/15/432701515.db2.gz CNMUDSQHFSRAJF-UHFFFAOYSA-N 1 0 316.470 3.477 10 0 DGAERO CC(C)Sc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178164476 432701551 /nfs/dbraw/zinc/70/15/51/432701551.db2.gz HMCRMQJLTRCDGZ-AWEZNQCLSA-N 1 0 319.474 3.499 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000188076659 432703557 /nfs/dbraw/zinc/70/35/57/432703557.db2.gz XYNPBBYTNCZWNN-STQMWFEESA-N 1 0 303.425 3.328 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)C1CCCCC1 ZINC000178196726 432705916 /nfs/dbraw/zinc/70/59/16/432705916.db2.gz CYPLVYVUVONCHA-IRXDYDNUSA-N 1 0 302.466 3.394 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000178298683 432717487 /nfs/dbraw/zinc/71/74/87/432717487.db2.gz MIKOGFLSIMVQRI-IRXDYDNUSA-N 1 0 319.836 3.043 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCOc1ccc(F)cc1 ZINC000178306753 432719125 /nfs/dbraw/zinc/71/91/25/432719125.db2.gz IFDSUNFKJAYCFF-QGZVFWFLSA-N 1 0 317.408 3.264 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000178321031 432719551 /nfs/dbraw/zinc/71/95/51/432719551.db2.gz AWMVMAWTZKYXMC-MRXNPFEDSA-N 1 0 319.836 3.388 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000178323849 432719885 /nfs/dbraw/zinc/71/98/85/432719885.db2.gz YYKLJPQTIWWWGB-SFHVURJKSA-N 1 0 306.413 3.404 10 0 DGAERO CCCOc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000178344116 432723504 /nfs/dbraw/zinc/72/35/04/432723504.db2.gz BEGIORMYHSUVMY-OAHLLOKOSA-N 1 0 304.434 3.139 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(Br)c(C)n1 ZINC000230080819 432724689 /nfs/dbraw/zinc/72/46/89/432724689.db2.gz XFXFEJNFSYTLFR-LBPRGKRZSA-N 1 0 312.255 3.073 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)s1 ZINC000230167235 432724746 /nfs/dbraw/zinc/72/47/46/432724746.db2.gz UCXSWELZOIYGPL-CYBMUJFWSA-N 1 0 310.463 3.403 10 0 DGAERO Cn1nccc1C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000160520377 432725076 /nfs/dbraw/zinc/72/50/76/432725076.db2.gz LUICPCPFKYKIGD-UHFFFAOYSA-N 1 0 322.412 3.455 10 0 DGAERO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1nccs1 ZINC000159141632 432672223 /nfs/dbraw/zinc/67/22/23/432672223.db2.gz DQFCLJQPLYMWIE-KGLIPLIRSA-N 1 0 324.494 3.014 10 0 DGAERO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccccn1 ZINC000159189721 432674217 /nfs/dbraw/zinc/67/42/17/432674217.db2.gz IJGRUYLPALMTKZ-MRXNPFEDSA-N 1 0 323.440 3.285 10 0 DGAERO CCCC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(=O)Nc1cc(C)on1 ZINC000187651426 432674802 /nfs/dbraw/zinc/67/48/02/432674802.db2.gz UOHSVNKSJBKZQJ-UONOGXRCSA-N 1 0 323.437 3.028 10 0 DGAERO CCC[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccn1 ZINC000159177226 432675139 /nfs/dbraw/zinc/67/51/39/432675139.db2.gz WBWFLNFRGHCAOD-QFBILLFUSA-N 1 0 317.477 3.013 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(F)cc1Br ZINC000223242159 432676903 /nfs/dbraw/zinc/67/69/03/432676903.db2.gz BNYUKRLRFXSPIP-UHFFFAOYSA-N 1 0 304.203 3.227 10 0 DGAERO COCCC[C@@H](C)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000187702664 432678794 /nfs/dbraw/zinc/67/87/94/432678794.db2.gz ZSGFZNSUZIPNCK-IEBWSBKVSA-N 1 0 304.478 3.446 10 0 DGAERO CCc1ccc([C@@H]([NH2+]Cc2cc(C(N)=O)co2)C(C)C)cc1 ZINC000187729488 432680351 /nfs/dbraw/zinc/68/03/51/432680351.db2.gz KKCQUDWIAAFBGN-KRWDZBQOSA-N 1 0 300.402 3.428 10 0 DGAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1csc(Cl)n1 ZINC000274558179 432680538 /nfs/dbraw/zinc/68/05/38/432680538.db2.gz YVRFZCHUCWZVMC-UHFFFAOYSA-N 1 0 323.849 3.001 10 0 DGAERO CC[C@H](CCO)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000131880275 292665274 /nfs/dbraw/zinc/66/52/74/292665274.db2.gz NKTPCAMPYBUTAS-GXTWGEPZSA-N 1 0 301.377 3.360 10 0 DGAERO O=C(NCC[NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000178023473 432685604 /nfs/dbraw/zinc/68/56/04/432685604.db2.gz WACULAJKJVOZNV-KRWDZBQOSA-N 1 0 314.816 3.347 10 0 DGAERO CC[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000178021558 432685612 /nfs/dbraw/zinc/68/56/12/432685612.db2.gz MSCYIIYNFABWMU-SFHVURJKSA-N 1 0 312.413 3.166 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000187812081 432686049 /nfs/dbraw/zinc/68/60/49/432686049.db2.gz RROKGVVXYFHNSW-PBHICJAKSA-N 1 0 310.869 3.144 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([C@@H](C)OC)c2)C1 ZINC000178028246 432686557 /nfs/dbraw/zinc/68/65/57/432686557.db2.gz AOHOSNDEJDLFQY-HUUCEWRRSA-N 1 0 319.449 3.200 10 0 DGAERO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000178048070 432688794 /nfs/dbraw/zinc/68/87/94/432688794.db2.gz WOKIDAJOMAUMID-OAHLLOKOSA-N 1 0 307.401 3.130 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)s1 ZINC000178057978 432689491 /nfs/dbraw/zinc/68/94/91/432689491.db2.gz WPNVWUYECNLNFY-GFCCVEGCSA-N 1 0 313.430 3.137 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236541268 432747929 /nfs/dbraw/zinc/74/79/29/432747929.db2.gz KQTZOBQWMDPZLX-GXFFZTMASA-N 1 0 318.642 3.353 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000178534152 432749062 /nfs/dbraw/zinc/74/90/62/432749062.db2.gz DXOPJJNDDMKXLN-MRXNPFEDSA-N 1 0 300.402 3.266 10 0 DGAERO CC(C)(C)c1ccc(CCNC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000236585855 432749845 /nfs/dbraw/zinc/74/98/45/432749845.db2.gz AIBGBDKHWSNAGA-UHFFFAOYSA-N 1 0 310.441 3.415 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@H](C)C(C)C)ccc1S(C)(=O)=O ZINC000178580476 432753600 /nfs/dbraw/zinc/75/36/00/432753600.db2.gz HMNDWFOAPXYHTQ-STQMWFEESA-N 1 0 313.463 3.041 10 0 DGAERO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178580618 432755406 /nfs/dbraw/zinc/75/54/06/432755406.db2.gz RMJNBUAQZAVWQW-NWDGAFQWSA-N 1 0 301.427 3.172 10 0 DGAERO COc1cccc(OCC[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000178603151 432757179 /nfs/dbraw/zinc/75/71/79/432757179.db2.gz YYJHYMQSGNNWIK-UHFFFAOYSA-N 1 0 307.434 3.211 10 0 DGAERO Cc1nc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c(C)s1 ZINC000178620884 432760241 /nfs/dbraw/zinc/76/02/41/432760241.db2.gz GEXDVWMJGQVRGQ-UHFFFAOYSA-N 1 0 303.431 3.382 10 0 DGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCCc1ccc(F)c(F)c1 ZINC000236728466 432760619 /nfs/dbraw/zinc/76/06/19/432760619.db2.gz FTMHQROUJUZFKY-INIZCTEOSA-N 1 0 312.404 3.119 10 0 DGAERO COc1ccncc1NC(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000189066335 432761340 /nfs/dbraw/zinc/76/13/40/432761340.db2.gz AZUFIFUSDCAMAQ-UHFFFAOYSA-N 1 0 322.368 3.349 10 0 DGAERO Brc1cccc2c1C[N@H+](CC[C@@H]1CCCO1)CC2 ZINC000189356069 432781393 /nfs/dbraw/zinc/78/13/93/432781393.db2.gz LLQHEARHLKJRHP-ZDUSSCGKSA-N 1 0 310.235 3.376 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000188537637 432730351 /nfs/dbraw/zinc/73/03/51/432730351.db2.gz LDJIUPYPBVZBQU-SNVBAGLBSA-N 1 0 311.223 3.303 10 0 DGAERO CN(Cc1csc(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231458978 432732615 /nfs/dbraw/zinc/73/26/15/432732615.db2.gz ONZUZBKVBMQOHC-INIZCTEOSA-N 1 0 301.459 3.384 10 0 DGAERO CCc1nc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)s1 ZINC000178443804 432737428 /nfs/dbraw/zinc/73/74/28/432737428.db2.gz OBOQFILAFDFDRE-SMDDNHRTSA-N 1 0 320.458 3.407 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C2(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000188706132 432741339 /nfs/dbraw/zinc/74/13/39/432741339.db2.gz GFDLHYGCDMUJSP-GOEBONIOSA-N 1 0 318.436 3.090 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000188725315 432742386 /nfs/dbraw/zinc/74/23/86/432742386.db2.gz LBFUZWNFYPGIGL-CQSZACIVSA-N 1 0 319.412 3.391 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000188796219 432745033 /nfs/dbraw/zinc/74/50/33/432745033.db2.gz BUQUOXUCSLPNNM-NEPJUHHUSA-N 1 0 300.358 3.231 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccncc2OC)cc1 ZINC000188776410 432745321 /nfs/dbraw/zinc/74/53/21/432745321.db2.gz VNJNHMQFQWSBRO-KBPBESRZSA-N 1 0 300.402 3.381 10 0 DGAERO CN(c1ccccc1)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000162220677 432816747 /nfs/dbraw/zinc/81/67/47/432816747.db2.gz WDOSEARDUGHVDS-UHFFFAOYSA-N 1 0 301.478 3.073 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000243493984 432819966 /nfs/dbraw/zinc/81/99/66/432819966.db2.gz NRMUPBXKXINRTD-GOSISDBHSA-N 1 0 300.446 3.226 10 0 DGAERO C[C@H]1Cc2ccccc2N1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000244533030 432821003 /nfs/dbraw/zinc/82/10/03/432821003.db2.gz ZUEJVIGUYDEAJK-INIZCTEOSA-N 1 0 320.436 3.413 10 0 DGAERO COC(C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)OC ZINC000162476296 432825023 /nfs/dbraw/zinc/82/50/23/432825023.db2.gz MFAMBJHADYQDCJ-CQSZACIVSA-N 1 0 303.324 3.365 10 0 DGAERO COC(C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)OC ZINC000162476411 432825247 /nfs/dbraw/zinc/82/52/47/432825247.db2.gz MFAMBJHADYQDCJ-AWEZNQCLSA-N 1 0 303.324 3.365 10 0 DGAERO C[C@H](CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1F ZINC000245387532 432825868 /nfs/dbraw/zinc/82/58/68/432825868.db2.gz YFQKMPBXGFDYHS-CABCVRRESA-N 1 0 304.409 3.016 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000245423415 432829523 /nfs/dbraw/zinc/82/95/23/432829523.db2.gz BINLUKRBNXNCCT-BPQIPLTHSA-N 1 0 300.446 3.041 10 0 DGAERO CCc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)cc1 ZINC000245430747 432829836 /nfs/dbraw/zinc/82/98/36/432829836.db2.gz MENKBXPCQBHYRG-IAGOWNOFSA-N 1 0 301.434 3.340 10 0 DGAERO C[C@H](CCOc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245450104 432832523 /nfs/dbraw/zinc/83/25/23/432832523.db2.gz OHUMVAJLLZWBAQ-BRWVUGGUSA-N 1 0 318.461 3.033 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)cc2cccnc21 ZINC000162770794 432833089 /nfs/dbraw/zinc/83/30/89/432833089.db2.gz ILCBIQUGMYQXTG-HNNXBMFYSA-N 1 0 317.408 3.080 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1c(F)cccc1Br ZINC000277280225 432833712 /nfs/dbraw/zinc/83/37/12/432833712.db2.gz BCURPDCWGNGWMP-ZANVPECISA-N 1 0 302.187 3.103 10 0 DGAERO CC[C@H](C)C[C@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245496329 432836610 /nfs/dbraw/zinc/83/66/10/432836610.db2.gz REGAUWWUQVYOJN-YESZJQIVSA-N 1 0 309.498 3.471 10 0 DGAERO COc1ccc(CCN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000245497467 432837026 /nfs/dbraw/zinc/83/70/26/432837026.db2.gz UFNKYLCKMORNFB-MSOLQXFVSA-N 1 0 302.462 3.185 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000162901064 432837786 /nfs/dbraw/zinc/83/77/86/432837786.db2.gz HHXRNAVNFOKGPY-LJQANCHMSA-N 1 0 312.461 3.257 10 0 DGAERO [NH3+][C@H](CNC(=O)C[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000178878944 432785507 /nfs/dbraw/zinc/78/55/07/432785507.db2.gz RHIFLWYOTARFSN-IEBWSBKVSA-N 1 0 308.425 3.313 10 0 DGAERO C[C@H]1CCC[C@H](C)C1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178961215 432792584 /nfs/dbraw/zinc/79/25/84/432792584.db2.gz WZFTZOJTFLMTCD-FXQLRMTLSA-N 1 0 309.498 3.231 10 0 DGAERO O=C1NCC[C@@H]1[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000178991966 432793522 /nfs/dbraw/zinc/79/35/22/432793522.db2.gz IWBNVOGWRORVAQ-DLBZAZTESA-N 1 0 314.816 3.102 10 0 DGAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237682404 432796801 /nfs/dbraw/zinc/79/68/01/432796801.db2.gz ZUQXLOPWGUMOON-RTBURBONSA-N 1 0 312.457 3.089 10 0 DGAERO [NH3+][C@H](CC(=O)N(C[C@H]1CCCO1)C1CCCC1)c1ccccc1 ZINC000237830104 432801993 /nfs/dbraw/zinc/80/19/93/432801993.db2.gz ISQNRLKEZJMKHV-QZTJIDSGSA-N 1 0 316.445 3.027 10 0 DGAERO Fc1ccc(OC2CCN(CCC[NH+]3CCCC3)CC2)cc1 ZINC000161922999 432804900 /nfs/dbraw/zinc/80/49/00/432804900.db2.gz FTGDBIUCKSFYGS-UHFFFAOYSA-N 1 0 306.425 3.155 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2)C1 ZINC000237991307 432807939 /nfs/dbraw/zinc/80/79/39/432807939.db2.gz LFRGMCXYKVELMU-UONOGXRCSA-N 1 0 320.396 3.091 10 0 DGAERO Cc1cc([C@@H]2CN(CCC[NH+]3CCCCC3)CCO2)ccc1F ZINC000162158953 432814276 /nfs/dbraw/zinc/81/42/76/432814276.db2.gz YEHXTXWOOOINDO-IBGZPJMESA-N 1 0 320.452 3.383 10 0 DGAERO O=C(C[C@@H]1CCC[N@H+]1CCOCC(F)F)c1ccc(F)cc1 ZINC000189730995 432814520 /nfs/dbraw/zinc/81/45/20/432814520.db2.gz GMHVNYWYDSBGQR-AWEZNQCLSA-N 1 0 315.335 3.145 10 0 DGAERO COCCO[C@H]1CCN([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000189733699 432815138 /nfs/dbraw/zinc/81/51/38/432815138.db2.gz FFHDOLKILUMZGV-RYUDHWBXSA-N 1 0 301.789 3.277 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)s1 ZINC000245736442 432860248 /nfs/dbraw/zinc/86/02/48/432860248.db2.gz FRLLSJOGSCBBMQ-KGLIPLIRSA-N 1 0 312.504 3.048 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000245740481 432860374 /nfs/dbraw/zinc/86/03/74/432860374.db2.gz LOPNLKGKDNANEJ-MAUKXSAKSA-N 1 0 312.461 3.300 10 0 DGAERO COc1cc(Cl)c(CN2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000245753632 432861313 /nfs/dbraw/zinc/86/13/13/432861313.db2.gz OHEWTXKRHDXLMU-LBPRGKRZSA-N 1 0 315.244 3.282 10 0 DGAERO COc1c(Cl)cc(Cl)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245766246 432862554 /nfs/dbraw/zinc/86/25/54/432862554.db2.gz QWDFYHBFLXVOQW-ZDUSSCGKSA-N 1 0 315.244 3.282 10 0 DGAERO COCc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1F ZINC000245824926 432863907 /nfs/dbraw/zinc/86/39/07/432863907.db2.gz AQLBVBFEPGJOOL-USXIJHARSA-N 1 0 307.409 3.265 10 0 DGAERO c1csc(-c2ncc(CN3CC[N@@H+]4CCC[C@H]4C3)s2)c1 ZINC000245806911 432863951 /nfs/dbraw/zinc/86/39/51/432863951.db2.gz YREWTKHDKAETSL-LBPRGKRZSA-N 1 0 305.472 3.152 10 0 DGAERO CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245803009 432864562 /nfs/dbraw/zinc/86/45/62/432864562.db2.gz XZYIBYODTFOANF-RDJZCZTQSA-N 1 0 320.477 3.399 10 0 DGAERO COc1ccc(CC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000245871756 432867299 /nfs/dbraw/zinc/86/72/99/432867299.db2.gz JMJZPQFHFSMYSU-IAOVAPTHSA-N 1 0 307.409 3.170 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2OC)C12CCCC2 ZINC000245921030 432870426 /nfs/dbraw/zinc/87/04/26/432870426.db2.gz QTPQQJRQNNRUHW-BPQIPLTHSA-N 1 0 319.445 3.056 10 0 DGAERO COc1ccccc1O[C@H](C)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245945946 432872132 /nfs/dbraw/zinc/87/21/32/432872132.db2.gz VSSUAXBJZSQFIB-LTCOOKNTSA-N 1 0 319.445 3.256 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1F ZINC000245957765 432872621 /nfs/dbraw/zinc/87/26/21/432872621.db2.gz CGTBCGYNAOGEOZ-RYUDHWBXSA-N 1 0 310.800 3.178 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000245976082 432873563 /nfs/dbraw/zinc/87/35/63/432873563.db2.gz GGCDWNBGNRLJBR-XJKSGUPXSA-N 1 0 308.853 3.451 10 0 DGAERO CC[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245986549 432874226 /nfs/dbraw/zinc/87/42/26/432874226.db2.gz FETJOBVEWLWQHJ-NXHRZFHOSA-N 1 0 324.509 3.303 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000246047341 432875217 /nfs/dbraw/zinc/87/52/17/432875217.db2.gz BXTLYHIHPSVFHT-BFQNTYOBSA-N 1 0 301.434 3.474 10 0 DGAERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ncccc2C)C1 ZINC000245536386 432839718 /nfs/dbraw/zinc/83/97/18/432839718.db2.gz LDVVDDZSFSXXKW-QZTJIDSGSA-N 1 0 324.424 3.169 10 0 DGAERO C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(Cl)cc1 ZINC000245527377 432840738 /nfs/dbraw/zinc/84/07/38/432840738.db2.gz CYOPRFOWIOYWBQ-YOEHRIQHSA-N 1 0 320.864 3.215 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000163034341 432841770 /nfs/dbraw/zinc/84/17/70/432841770.db2.gz OKKDBYUUWDUFCE-OAHLLOKOSA-N 1 0 313.445 3.341 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)C1 ZINC000245539940 432841797 /nfs/dbraw/zinc/84/17/97/432841797.db2.gz JXVXCIBVAZGTEJ-SJORKVTESA-N 1 0 318.461 3.143 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000163281164 432847485 /nfs/dbraw/zinc/84/74/85/432847485.db2.gz SFHVSMUOJPQOPT-FUHWJXTLSA-N 1 0 304.478 3.053 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000163281277 432847882 /nfs/dbraw/zinc/84/78/82/432847882.db2.gz SFHVSMUOJPQOPT-SJLPKXTDSA-N 1 0 304.478 3.053 10 0 DGAERO CCC[C@H](C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000245609172 432848764 /nfs/dbraw/zinc/84/87/64/432848764.db2.gz AMYJKWFMWFZBIG-MISYRCLQSA-N 1 0 316.489 3.223 10 0 DGAERO CCCc1csc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000245599755 432849381 /nfs/dbraw/zinc/84/93/81/432849381.db2.gz FFVAKEHJEJZBOL-WCQYABFASA-N 1 0 310.467 3.042 10 0 DGAERO C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245641274 432851925 /nfs/dbraw/zinc/85/19/25/432851925.db2.gz KNBVBDJGCQTGQB-OIISXLGYSA-N 1 0 301.434 3.016 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(SC)c2)[C@@H](C)C1 ZINC000245701168 432856299 /nfs/dbraw/zinc/85/62/99/432856299.db2.gz CNXCCWQJJCGLHK-SWLSCSKDSA-N 1 0 324.465 3.350 10 0 DGAERO CC[C@H]1CCN1Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000330277673 432902171 /nfs/dbraw/zinc/90/21/71/432902171.db2.gz OPBCHSZZUGXVJA-QWRGUYRKSA-N 1 0 316.474 3.383 10 0 DGAERO c1ncc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)s1 ZINC000279482016 432974952 /nfs/dbraw/zinc/97/49/52/432974952.db2.gz UDEKDJXWDOLSGP-UHFFFAOYSA-N 1 0 302.447 3.056 10 0 DGAERO c1cc(CN2CC[NH+](C3CC3)CC2)cc(OC2CCCC2)c1 ZINC000349818653 433016203 /nfs/dbraw/zinc/01/62/03/433016203.db2.gz KTPQLQZXJVJDAC-UHFFFAOYSA-N 1 0 300.446 3.288 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@H](c2cccnc2)C2CCC2)cn1 ZINC000280382846 433043513 /nfs/dbraw/zinc/04/35/13/433043513.db2.gz VYXNBPPMKZZQAA-SFHVURJKSA-N 1 0 319.412 3.293 10 0 DGAERO CCc1noc(C)c1NC(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000155742753 292715311 /nfs/dbraw/zinc/71/53/11/292715311.db2.gz CAMPACVNHAWHLM-CQSZACIVSA-N 1 0 310.442 3.033 10 0 DGAERO CCc1noc(C)c1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000155757705 292715817 /nfs/dbraw/zinc/71/58/17/292715817.db2.gz WGYAPYADKJRUIL-UHFFFAOYSA-N 1 0 322.453 3.179 10 0 DGAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000156587245 292732191 /nfs/dbraw/zinc/73/21/91/292732191.db2.gz WPBIUQKTNBEETP-NVXWUHKLSA-N 1 0 320.477 3.157 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000333550191 433069532 /nfs/dbraw/zinc/06/95/32/433069532.db2.gz KDJNJEXPBXIERP-DKIMLUQUSA-N 1 0 315.461 3.092 10 0 DGAERO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203386 289362675 /nfs/dbraw/zinc/36/26/75/289362675.db2.gz QIOKPYGUFKYLML-XVIXHAIJSA-N 1 0 320.399 3.485 10 0 DGAERO C=Cn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cn1 ZINC000290576025 433099607 /nfs/dbraw/zinc/09/96/07/433099607.db2.gz UEVXQERKYKAZLH-RTBURBONSA-N 1 0 319.412 3.199 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC2(C1)CCCCC2 ZINC000173995787 289366707 /nfs/dbraw/zinc/36/67/07/289366707.db2.gz ZHWPHIHMNUOJGG-GOSISDBHSA-N 1 0 314.473 3.342 10 0 DGAERO CC(C)c1ncsc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333608195 433076858 /nfs/dbraw/zinc/07/68/58/433076858.db2.gz DNSRMOHTZHGVIX-YHWZYXNKSA-N 1 0 322.478 3.403 10 0 DGAERO CCC1(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)COC1 ZINC000453365922 433124407 /nfs/dbraw/zinc/12/44/07/433124407.db2.gz LUXAKGTXCCEVPY-INIZCTEOSA-N 1 0 319.836 3.179 10 0 DGAERO c1ccc(COc2cccc(C[N@@H+]3CCOCC4(CC4)C3)c2)nc1 ZINC000341561564 433135568 /nfs/dbraw/zinc/13/55/68/433135568.db2.gz IMYYEPXUXWXCQX-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000453378490 433136008 /nfs/dbraw/zinc/13/60/08/433136008.db2.gz YKBYWKBLHHQXQX-OWYVNGRQSA-N 1 0 304.217 3.448 10 0 DGAERO O[C@H]1C[C@@H]([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000453382079 433139499 /nfs/dbraw/zinc/13/94/99/433139499.db2.gz YZSQUDCHNHJIJX-IXDOHACOSA-N 1 0 302.805 3.132 10 0 DGAERO CCc1ncc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000453385482 433140186 /nfs/dbraw/zinc/14/01/86/433140186.db2.gz NLMOQMPNKNHLEZ-MAUKXSAKSA-N 1 0 313.445 3.237 10 0 DGAERO c1sc2ccccc2c1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000373162971 433108313 /nfs/dbraw/zinc/10/83/13/433108313.db2.gz FRJWZKFVOJRFAB-WMLDXEAASA-N 1 0 303.427 3.329 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)[C@H]1c1ccccc1 ZINC000373172320 433113078 /nfs/dbraw/zinc/11/30/78/433113078.db2.gz BJMGBPUMSBGTKP-DNVCBOLYSA-N 1 0 304.397 3.460 10 0 DGAERO CC(C)n1cncc1C[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000336724019 433185682 /nfs/dbraw/zinc/18/56/82/433185682.db2.gz WYLDSBZEMCXISH-INIZCTEOSA-N 1 0 300.450 3.074 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000420378722 433187859 /nfs/dbraw/zinc/18/78/59/433187859.db2.gz QNWDPYVILADTRI-HXUWFJFHSA-N 1 0 314.473 3.390 10 0 DGAERO c1[nH]nc2cc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)ccc12 ZINC000374472327 433198617 /nfs/dbraw/zinc/19/86/17/433198617.db2.gz PRGUWNKDUUEGIH-IEBWSBKVSA-N 1 0 307.397 3.430 10 0 DGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000290984652 433216928 /nfs/dbraw/zinc/21/69/28/433216928.db2.gz YYTPGTRQQGDTFV-LDWIPMOCSA-N 1 0 320.028 3.105 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H](C(C)C)c3ccccc32)C1 ZINC000447583941 433233649 /nfs/dbraw/zinc/23/36/49/433233649.db2.gz DISKHSGUWCGAKB-QGTPRVQTSA-N 1 0 315.461 3.264 10 0 DGAERO Brc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)o1 ZINC000361554809 433245513 /nfs/dbraw/zinc/24/55/13/433245513.db2.gz VNGJECVXRBSMMQ-CMPLNLGQSA-N 1 0 300.196 3.043 10 0 DGAERO O[C@@H]1[C@H](C[NH2+][C@@H]2CCCc3sccc32)CCC12CCOCC2 ZINC000374749872 433271780 /nfs/dbraw/zinc/27/17/80/433271780.db2.gz JTIITASVNHGLQU-YSVLISHTSA-N 1 0 321.486 3.283 10 0 DGAERO c1ccc2c(c1)OC1(CCCCC1)C[C@@H]2[NH2+]C[C@H]1COCCO1 ZINC000338209478 433281937 /nfs/dbraw/zinc/28/19/37/433281937.db2.gz WMLDDFUICFAPSQ-RDJZCZTQSA-N 1 0 317.429 3.218 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000281318317 433282126 /nfs/dbraw/zinc/28/21/26/433282126.db2.gz ZQIYHFILDCLGIS-RDTXWAMCSA-N 1 0 304.409 3.125 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CCc2ccsc2)c2ccccc2C1 ZINC000374884814 433301513 /nfs/dbraw/zinc/30/15/13/433301513.db2.gz WUSPTJPHXNTKBB-GOSISDBHSA-N 1 0 314.454 3.374 10 0 DGAERO CCc1cccc(CC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000158207982 292763631 /nfs/dbraw/zinc/76/36/31/292763631.db2.gz WUPCNDPVESTRPL-UHFFFAOYSA-N 1 0 316.489 3.420 10 0 DGAERO OCCCCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000448024319 433352013 /nfs/dbraw/zinc/35/20/13/433352013.db2.gz XQKNHCYJTBVQEC-ZDUSSCGKSA-N 1 0 302.340 3.230 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2nc(C)cs2)C[C@H]1C ZINC000361775562 433385017 /nfs/dbraw/zinc/38/50/17/433385017.db2.gz WXSVEWCPQRPIRQ-MCIONIFRSA-N 1 0 324.494 3.027 10 0 DGAERO c1cc(COc2ccc(C[N@@H+]3CC[C@@]34CCOC4)cc2)ccn1 ZINC000421016447 433385881 /nfs/dbraw/zinc/38/58/81/433385881.db2.gz JGYJUBDVFXYSHV-IBGZPJMESA-N 1 0 310.397 3.025 10 0 DGAERO c1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)n(-c2ccccc2)n1 ZINC000448339967 433388168 /nfs/dbraw/zinc/38/81/68/433388168.db2.gz UAHLGZNDICPCQN-LJQANCHMSA-N 1 0 324.472 3.323 10 0 DGAERO c1csc(-c2cnc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)o2)c1 ZINC000341968238 433388646 /nfs/dbraw/zinc/38/86/46/433388646.db2.gz APJMWUNDPYTQHA-MRXNPFEDSA-N 1 0 304.415 3.406 10 0 DGAERO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CCO[C@]4(CCOC4)C3)C2)cc1 ZINC000375276159 433408624 /nfs/dbraw/zinc/40/86/24/433408624.db2.gz RMXYDAPMYKMFCK-LWYYNNOASA-N 1 0 315.457 3.326 10 0 DGAERO Clc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc2c1OCCO2 ZINC000375301629 433417676 /nfs/dbraw/zinc/41/76/76/433417676.db2.gz HBPSXVBVXYJJKO-QGZVFWFLSA-N 1 0 323.820 3.114 10 0 DGAERO c1ncn(Cc2ccccc2)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342028625 433420958 /nfs/dbraw/zinc/42/09/58/433420958.db2.gz ZAAHCYYARHPUCN-MOPGFXCFSA-N 1 0 311.429 3.075 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000281974041 433448484 /nfs/dbraw/zinc/44/84/84/433448484.db2.gz BPTLWFHZLLCOHE-HKUYNNGSSA-N 1 0 314.473 3.452 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)n1 ZINC000361918100 433449801 /nfs/dbraw/zinc/44/98/01/433449801.db2.gz CWRVCJMJLMMIGH-JTQLQIEISA-N 1 0 310.319 3.401 10 0 DGAERO c1cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc2c1CCC2 ZINC000375399402 433451772 /nfs/dbraw/zinc/45/17/72/433451772.db2.gz BCEULQOVSCFODO-KRWDZBQOSA-N 1 0 309.413 3.425 10 0 DGAERO c1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](c3nc(C4CC4)no3)C1)CO2 ZINC000375403800 433454771 /nfs/dbraw/zinc/45/47/71/433454771.db2.gz MSCOZTQOFBJJBJ-INIZCTEOSA-N 1 0 323.396 3.212 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Cl)cc(Cl)c1 ZINC000361929466 433455636 /nfs/dbraw/zinc/45/56/36/433455636.db2.gz NJABEVFKPSDBEF-SECBINFHSA-N 1 0 324.211 3.338 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000069135754 290047463 /nfs/dbraw/zinc/04/74/63/290047463.db2.gz WAGXPYOOXYFSDB-BBRMVZONSA-N 1 0 309.475 3.212 10 0 DGAERO c1cc(NC2CC[NH+](CC3CCCC3)CC2)nc(C2CC2)n1 ZINC000301232174 433463959 /nfs/dbraw/zinc/46/39/59/433463959.db2.gz IILQSJZAUGUUAG-UHFFFAOYSA-N 1 0 300.450 3.421 10 0 DGAERO CCCc1nc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cs1 ZINC000375463841 433470715 /nfs/dbraw/zinc/47/07/15/433470715.db2.gz GMJZXLGZCHFXMW-GFCCVEGCSA-N 1 0 318.446 3.346 10 0 DGAERO Cc1nocc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000339250543 433468330 /nfs/dbraw/zinc/46/83/30/433468330.db2.gz WNAXFQDYRYOOBE-YQQQUEKLSA-N 1 0 311.429 3.268 10 0 DGAERO CCn1cc(CC[N@H+]2CC=C(c3cccc(OC)c3)CC2)cn1 ZINC000375707667 433540355 /nfs/dbraw/zinc/54/03/55/433540355.db2.gz XWOHEGOOHPFVJO-UHFFFAOYSA-N 1 0 311.429 3.243 10 0 DGAERO Cc1nc(-c2ccncc2)nc(N[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000301299124 433494235 /nfs/dbraw/zinc/49/42/35/433494235.db2.gz WRKIJHNPNNTNJA-MRXNPFEDSA-N 1 0 311.433 3.050 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)C[S@](C)=O ZINC000342141289 433496019 /nfs/dbraw/zinc/49/60/19/433496019.db2.gz OWWCHFAIYUIUKX-CQGDCUGRSA-N 1 0 319.392 3.465 10 0 DGAERO Cc1n[nH]c(C)c1CC[N@@H+]1CCOc2ccc(Cl)cc2C1 ZINC000426423723 433496631 /nfs/dbraw/zinc/49/66/31/433496631.db2.gz RCGLMMSRVMHIHL-UHFFFAOYSA-N 1 0 305.809 3.117 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)CN1CCOCC[C@@H]1C ZINC000362042297 433503626 /nfs/dbraw/zinc/50/36/26/433503626.db2.gz BBRAIXWQCOSGPQ-HNNXBMFYSA-N 1 0 304.434 3.168 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2C(C)(F)F)C1 ZINC000455800008 433558114 /nfs/dbraw/zinc/55/81/14/433558114.db2.gz FIIDQPYGCRXGAE-GFCCVEGCSA-N 1 0 311.376 3.262 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)[nH]n1 ZINC000375787356 433559002 /nfs/dbraw/zinc/55/90/02/433559002.db2.gz OPDVZNYPDPOUGK-WBMJQRKESA-N 1 0 301.438 3.283 10 0 DGAERO Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1C ZINC000414354633 433564146 /nfs/dbraw/zinc/56/41/46/433564146.db2.gz VPENHFVPAQKRKE-CTXDPNEZSA-N 1 0 324.472 3.014 10 0 DGAERO C[C@H]1CCN(c2ccnc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000301465735 433569124 /nfs/dbraw/zinc/56/91/24/433569124.db2.gz XFPZWOHUXXQHBT-INIZCTEOSA-N 1 0 322.456 3.455 10 0 DGAERO c1c(N2CC[NH+](CCCCc3ccccc3)CC2)n[nH]c1C1CC1 ZINC000426740900 433579589 /nfs/dbraw/zinc/57/95/89/433579589.db2.gz JAWMTPATELQNJW-UHFFFAOYSA-N 1 0 324.472 3.432 10 0 DGAERO CCCN(CC[NH2+][C@H]1CCCc2n[nH]cc21)C(=O)OC(C)(C)C ZINC000375849498 433593168 /nfs/dbraw/zinc/59/31/68/433593168.db2.gz HDCDMQILTLMSCK-AWEZNQCLSA-N 1 0 322.453 3.024 10 0 DGAERO C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)c1nnc(C2CC2)s1 ZINC000414322592 433542401 /nfs/dbraw/zinc/54/24/01/433542401.db2.gz HGJDIRCYNOJBHS-IHRRRGAJSA-N 1 0 307.463 3.100 10 0 DGAERO Cn1ncc2c1CCC[N@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000414469478 433633164 /nfs/dbraw/zinc/63/31/64/433633164.db2.gz GHZSQZIASCPAHB-UHFFFAOYSA-N 1 0 318.424 3.431 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000162636596 292856415 /nfs/dbraw/zinc/85/64/15/292856415.db2.gz KIWSWGDRMMDYDF-QZTJIDSGSA-N 1 0 306.494 3.441 10 0 DGAERO C[C@@H]1CC(C[NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000282406265 433598304 /nfs/dbraw/zinc/59/83/04/433598304.db2.gz YUQDBFUQCQNVOB-HZPDHXFCSA-N 1 0 313.445 3.225 10 0 DGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CC/C=C/c1ccccc1 ZINC000456340932 433602757 /nfs/dbraw/zinc/60/27/57/433602757.db2.gz ASXDBUVDBGYNFS-RXNMKEHESA-N 1 0 300.446 3.423 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](OC)c1cccc(Cl)c1 ZINC000362261701 433611279 /nfs/dbraw/zinc/61/12/79/433611279.db2.gz HUIZXDXMMOYITA-JKSUJKDBSA-N 1 0 324.852 3.018 10 0 DGAERO C[C@@H]1C[C@H](Nc2ncnc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000301585422 433622663 /nfs/dbraw/zinc/62/26/63/433622663.db2.gz VGPKVPWXJKEZSG-PWSUYJOCSA-N 1 0 302.809 3.320 10 0 DGAERO C[C@H](NC(=O)Nc1cccc2c1OCCC2)C(C)(C)C[NH+](C)C ZINC000366142982 292918456 /nfs/dbraw/zinc/91/84/56/292918456.db2.gz NZYFGFBBODXGBE-ZDUSSCGKSA-N 1 0 319.449 3.109 10 0 DGAERO CCCc1nnc(NC[C@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000301666604 433664585 /nfs/dbraw/zinc/66/45/85/433664585.db2.gz MIRVSKZPOYJCQG-GFCCVEGCSA-N 1 0 306.435 3.333 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000449019993 433672572 /nfs/dbraw/zinc/67/25/72/433672572.db2.gz UCNQLVHXJSCLKS-LRDDRELGSA-N 1 0 310.388 3.059 10 0 DGAERO CC(C)[N@@H+](Cc1cccc(F)c1Br)C[C@H](C)O ZINC000449023688 433676314 /nfs/dbraw/zinc/67/63/14/433676314.db2.gz TUZWRBPHAOSDIK-JTQLQIEISA-N 1 0 304.203 3.179 10 0 DGAERO Cc1cc(NC[C@@H](C)[N@@H+]2CCOC[C@H]2C)c2cccc(F)c2n1 ZINC000301695486 433683594 /nfs/dbraw/zinc/68/35/94/433683594.db2.gz YOHLOXDFUBYXMX-ZIAGYGMSSA-N 1 0 317.408 3.203 10 0 DGAERO Cc1cc(Br)cnc1NCC[N@H+]1CCCC[C@H]1C ZINC000301631844 433649521 /nfs/dbraw/zinc/64/95/21/433649521.db2.gz UETKRPQXQBNKLR-GFCCVEGCSA-N 1 0 312.255 3.439 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000414485169 433649559 /nfs/dbraw/zinc/64/95/59/433649559.db2.gz PBUKGBUOMWNGRD-MJGOQNOKSA-N 1 0 310.445 3.242 10 0 DGAERO Cc1ccc2cc(C[NH2+][C@H]3CCCc4nn(C)cc43)ccc2n1 ZINC000366977643 293010117 /nfs/dbraw/zinc/01/01/17/293010117.db2.gz VBNGFEMDAWESJN-SFHVURJKSA-N 1 0 306.413 3.444 10 0 DGAERO C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000367247250 293043533 /nfs/dbraw/zinc/04/35/33/293043533.db2.gz SVPFKIFTXDNESG-KFWWJZLASA-N 1 0 315.523 3.064 10 0 DGAERO c1nc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)sc1C1OCCO1 ZINC000367359868 293060673 /nfs/dbraw/zinc/06/06/73/293060673.db2.gz CIFWDVBCRJUFRN-VTXSZYRJSA-N 1 0 320.458 3.199 10 0 DGAERO c1ccc(COc2ccc(C[NH2+]C[C@@H]3[C@H]4COC[C@H]43)cc2)cc1 ZINC000367519136 293082697 /nfs/dbraw/zinc/08/26/97/293082697.db2.gz LYFQCWAKNNZCCB-OWZKRDHZSA-N 1 0 309.409 3.248 10 0 DGAERO Cc1ccnc(C2CC[NH+](CCOc3ccccc3C)CC2)n1 ZINC000370376075 293171886 /nfs/dbraw/zinc/17/18/86/293171886.db2.gz ZNROUYNLCYHCGI-UHFFFAOYSA-N 1 0 311.429 3.352 10 0 DGAERO Cc1sccc1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000293336833 433705136 /nfs/dbraw/zinc/70/51/36/433705136.db2.gz RZSSKQVIMOGPEI-ZDUSSCGKSA-N 1 0 310.463 3.403 10 0 DGAERO FC(F)(F)COCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000371573389 293212949 /nfs/dbraw/zinc/21/29/49/293212949.db2.gz UBFMNAQKUHHJLD-HNNXBMFYSA-N 1 0 322.415 3.153 10 0 DGAERO O[C@H]1CCCC[C@H]1[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000376285989 433708763 /nfs/dbraw/zinc/70/87/63/433708763.db2.gz QCYMSZYQFJDODU-WCIQWLHISA-N 1 0 314.473 3.029 10 0 DGAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000376285988 433708972 /nfs/dbraw/zinc/70/89/72/433708972.db2.gz QCYMSZYQFJDODU-IYWMVGAKSA-N 1 0 314.473 3.029 10 0 DGAERO CC(C)c1nc([C@H]2CCC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)no1 ZINC000373490596 293281986 /nfs/dbraw/zinc/28/19/86/293281986.db2.gz SMCHXCHJOSVPFZ-KBPBESRZSA-N 1 0 307.438 3.330 10 0 DGAERO Cn1nccc1CC[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000373763349 293313853 /nfs/dbraw/zinc/31/38/53/293313853.db2.gz OMEXJNYELGNCBT-UHFFFAOYSA-N 1 0 308.429 3.324 10 0 DGAERO OC[C@H]1CCCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000374049880 293346971 /nfs/dbraw/zinc/34/69/71/293346971.db2.gz KDCQJQBHHZXTOG-LBPRGKRZSA-N 1 0 308.472 3.466 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC23CCOCC3)cc1OC ZINC000374336663 293386493 /nfs/dbraw/zinc/38/64/93/293386493.db2.gz HKDIXLXMPYKNJL-KBXCAEBGSA-N 1 0 319.445 3.184 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCC(=O)OC(C)(C)C)CC2 ZINC000374363719 293389798 /nfs/dbraw/zinc/38/97/98/293389798.db2.gz CYZLZVJUTMDFRG-UHFFFAOYSA-N 1 0 317.429 3.022 10 0 DGAERO c1ccc(OCCCC[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000414555520 433719874 /nfs/dbraw/zinc/71/98/74/433719874.db2.gz MUMABDXVGFQEOS-UHFFFAOYSA-N 1 0 303.431 3.364 10 0 DGAERO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000414552379 433720132 /nfs/dbraw/zinc/72/01/32/433720132.db2.gz PYXJDUYOOYKHOV-MRXNPFEDSA-N 1 0 324.827 3.456 10 0 DGAERO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)N(CC)CC)o1 ZINC000362454087 433728792 /nfs/dbraw/zinc/72/87/92/433728792.db2.gz YTDIEOGFTLXVLA-HOCLYGCPSA-N 1 0 306.450 3.483 10 0 DGAERO C/C(=C\c1ccccc1)CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC000427594855 433734804 /nfs/dbraw/zinc/73/48/04/433734804.db2.gz ZEDXZEWUBKTQCJ-NTCAYCPXSA-N 1 0 309.413 3.323 10 0 DGAERO CC(=O)N(C)c1ccc(C(=O)Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC000362532919 433740164 /nfs/dbraw/zinc/74/01/64/433740164.db2.gz JUXYUFVYDNFQGQ-UHFFFAOYSA-N 1 0 322.368 3.106 10 0 DGAERO COc1ccc(CCC[NH2+][C@H](C)[C@H]2CCCOC2)cc1OC ZINC000356900118 433759093 /nfs/dbraw/zinc/75/90/93/433759093.db2.gz OKOFXHMZYORQKF-ZBFHGGJFSA-N 1 0 307.434 3.041 10 0 DGAERO c1cnn(-c2cccc(C[N@H+]3CCOC[C@H]3CC3CCC3)c2)c1 ZINC000339774172 433772269 /nfs/dbraw/zinc/77/22/69/433772269.db2.gz ARAHHSKQDXEYNM-LJQANCHMSA-N 1 0 311.429 3.263 10 0 DGAERO COC1CCN(C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000356908452 433760464 /nfs/dbraw/zinc/76/04/64/433760464.db2.gz XTTHPAFQSHMIIZ-MSOLQXFVSA-N 1 0 308.510 3.434 10 0 DGAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449705395 433762369 /nfs/dbraw/zinc/76/23/69/433762369.db2.gz KLRLUKHANBFCDT-LBPRGKRZSA-N 1 0 314.385 3.392 10 0 DGAERO Cc1nc(Cl)cc(NCc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000301858845 433762870 /nfs/dbraw/zinc/76/28/70/433762870.db2.gz DVHRAHHIACFHKO-UHFFFAOYSA-N 1 0 308.788 3.251 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@@H](C)C2CCCC2)cs1)C1CC1 ZINC000449751872 433767860 /nfs/dbraw/zinc/76/78/60/433767860.db2.gz CWSDARGQIMLJDV-NSHDSACASA-N 1 0 307.463 3.327 10 0 DGAERO CCn1nc(C[N@@H+]2CCC[C@H](COC)CC2)c2ccccc21 ZINC000449774875 433787558 /nfs/dbraw/zinc/78/75/58/433787558.db2.gz LJOOAKNMMIKNSD-HNNXBMFYSA-N 1 0 301.434 3.305 10 0 DGAERO C[C@@H]1CCC[C@H](C[N@H+](C)C[C@H]2CCCN2c2cccnn2)C1 ZINC000356971870 433793272 /nfs/dbraw/zinc/79/32/72/433793272.db2.gz BPUQPDIXRHBMGD-IXDOHACOSA-N 1 0 302.466 3.204 10 0 DGAERO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC12CCC2 ZINC000435578222 433875529 /nfs/dbraw/zinc/87/55/29/433875529.db2.gz LKXFVXVHXJWGJT-CQSZACIVSA-N 1 0 319.474 3.223 10 0 DGAERO O=C1CCCCN1CCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436236362 433909542 /nfs/dbraw/zinc/90/95/42/433909542.db2.gz FGZWJXIDRMIUCB-MSOLQXFVSA-N 1 0 300.446 3.315 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1Cl ZINC000377564832 293677353 /nfs/dbraw/zinc/67/73/53/293677353.db2.gz ORKYZVUDGCUYNQ-GPZRYRNASA-N 1 0 318.848 3.345 10 0 DGAERO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1=O ZINC000436250733 433914447 /nfs/dbraw/zinc/91/44/47/433914447.db2.gz WPHHHAHVZKBKBM-GVDBMIGSSA-N 1 0 300.446 3.312 10 0 DGAERO c1ccc([C@@H]2CC[C@H]([NH2+]CCCOC[C@H]3CCOC3)C2)cc1 ZINC000436244773 433915759 /nfs/dbraw/zinc/91/57/59/433915759.db2.gz DNDGDNXGPBHHOS-QRQLOZEOSA-N 1 0 303.446 3.356 10 0 DGAERO c1cncc([C@H]([NH2+]Cc2cccc3c2OCCCO3)C2CC2)c1 ZINC000340103180 433920887 /nfs/dbraw/zinc/92/08/87/433920887.db2.gz DPGLYMIXXIMPBR-GOSISDBHSA-N 1 0 310.397 3.484 10 0 DGAERO c1cncc([C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C2CC2)c1 ZINC000340103198 433923381 /nfs/dbraw/zinc/92/33/81/433923381.db2.gz DWNMQAIDMGOUAR-LJQANCHMSA-N 1 0 308.429 3.318 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000362953859 433923895 /nfs/dbraw/zinc/92/38/95/433923895.db2.gz CTLVVYPNJLJZAV-IRXDYDNUSA-N 1 0 307.459 3.052 10 0 DGAERO CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000436281591 433926295 /nfs/dbraw/zinc/92/62/95/433926295.db2.gz QBHMDJXPHFEFEA-AABGKKOBSA-N 1 0 316.489 3.269 10 0 DGAERO OC[C@H](C[NH2+]Cc1c[nH]nc1-c1ccsc1)c1ccccc1 ZINC000436304821 433933480 /nfs/dbraw/zinc/93/34/80/433933480.db2.gz FJRRXAKBNLQYPD-INIZCTEOSA-N 1 0 313.426 3.004 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccsn2)[C@@H]1c1cccs1 ZINC000449936534 433880562 /nfs/dbraw/zinc/88/05/62/433880562.db2.gz WLGQTMOATLMRLS-SMDDNHRTSA-N 1 0 321.471 3.018 10 0 DGAERO Brc1cncc([C@@H]([NH2+][C@H]2CCCOC2)C2CC2)c1 ZINC000284320095 433885501 /nfs/dbraw/zinc/88/55/01/433885501.db2.gz AZODIIAUYZBVGO-KBPBESRZSA-N 1 0 311.223 3.064 10 0 DGAERO COC(C)(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000377466150 433886263 /nfs/dbraw/zinc/88/62/63/433886263.db2.gz WEJMNQUQFCHHSB-CJNGLKHVSA-N 1 0 324.490 3.062 10 0 DGAERO c1cn(C2CCCC2)nc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000357331573 433956380 /nfs/dbraw/zinc/95/63/80/433956380.db2.gz UTECQPRXRBZTMY-SFHVURJKSA-N 1 0 303.450 3.391 10 0 DGAERO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(Cl)c(F)c1 ZINC000393705558 293832244 /nfs/dbraw/zinc/83/22/44/293832244.db2.gz QDAYJIYWPBEWKI-APBUJDDRSA-N 1 0 303.830 3.431 10 0 DGAERO Cc1ncccc1C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000345957315 434023349 /nfs/dbraw/zinc/02/33/49/434023349.db2.gz OMLMHFWMQYRSHN-HOTGVXAUSA-N 1 0 319.449 3.154 10 0 DGAERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]C[C@H]1CCSC1 ZINC000397462111 293846262 /nfs/dbraw/zinc/84/62/62/293846262.db2.gz TZNIJRZBIVSVJN-GFCCVEGCSA-N 1 0 302.484 3.023 10 0 DGAERO CCCCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400325527 293863564 /nfs/dbraw/zinc/86/35/64/293863564.db2.gz CHGLIPKKONNRBN-GJZGRUSLSA-N 1 0 314.470 3.038 10 0 DGAERO c1nc(CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cs1 ZINC000340284149 434040745 /nfs/dbraw/zinc/04/07/45/434040745.db2.gz KZKOUWLKWVHXHY-CQSZACIVSA-N 1 0 302.399 3.251 10 0 DGAERO c1csc(-c2nc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)cs2)c1 ZINC000377779989 433995567 /nfs/dbraw/zinc/99/55/67/433995567.db2.gz MXSQVAWNUQKOLQ-SNVBAGLBSA-N 1 0 316.455 3.242 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000340335532 434069836 /nfs/dbraw/zinc/06/98/36/434069836.db2.gz HNYSLRUNCAZHDI-UHFFFAOYSA-N 1 0 304.434 3.391 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1I ZINC000306758973 434086427 /nfs/dbraw/zinc/08/64/27/434086427.db2.gz OYENEBZLCLUHOA-PTRXPTGYSA-N 1 0 301.171 3.350 10 0 DGAERO FC(F)(F)c1cc(C[NH2+]C2CCN(c3ccccc3)CC2)[nH]n1 ZINC000440811947 293936323 /nfs/dbraw/zinc/93/63/23/293936323.db2.gz IMKCCKIPUKYJPC-UHFFFAOYSA-N 1 0 324.350 3.187 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCC[C@@H]2CN2CCCC2)cc1 ZINC000357598004 434092907 /nfs/dbraw/zinc/09/29/07/434092907.db2.gz QTOHIJAKELEXPX-GOSISDBHSA-N 1 0 302.462 3.406 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]Cc3ccc4ccccc4n3)cc2)n1 ZINC000340409330 434110301 /nfs/dbraw/zinc/11/03/01/434110301.db2.gz QEBYGKOGTYZUHQ-UHFFFAOYSA-N 1 0 315.380 3.105 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1COCC1(C)C ZINC000312977107 434119315 /nfs/dbraw/zinc/11/93/15/434119315.db2.gz NDBCQUVHDAHHCR-FZMZJTMJSA-N 1 0 312.251 3.395 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC[C@@H](CC[NH3+])C3)c2c1C ZINC000261723314 294080458 /nfs/dbraw/zinc/08/04/58/294080458.db2.gz QJEXFGLNARCNFU-ZDUSSCGKSA-N 1 0 304.463 3.182 10 0 DGAERO CC(C)(C)Oc1cccc(C[NH2+]C2(CCO)CCCCC2)n1 ZINC000508878931 294335142 /nfs/dbraw/zinc/33/51/42/294335142.db2.gz OFQWWRGHCCEAID-UHFFFAOYSA-N 1 0 306.450 3.434 10 0 DGAERO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000510949719 294397401 /nfs/dbraw/zinc/39/74/01/294397401.db2.gz WPUTTZIGPHQLHX-IAGOWNOFSA-N 1 0 318.461 3.081 10 0 DGAERO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000378346923 434153104 /nfs/dbraw/zinc/15/31/04/434153104.db2.gz SVKIBNBJIIPODU-HNNXBMFYSA-N 1 0 322.412 3.346 10 0 DGAERO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000378346924 434153937 /nfs/dbraw/zinc/15/39/37/434153937.db2.gz SVKIBNBJIIPODU-OAHLLOKOSA-N 1 0 322.412 3.346 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2nc3c(s2)CCCC3)n1 ZINC000357776934 434171076 /nfs/dbraw/zinc/17/10/76/434171076.db2.gz FPPIHYFKLSMQLK-LBPRGKRZSA-N 1 0 317.458 3.319 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000513527976 294475959 /nfs/dbraw/zinc/47/59/59/294475959.db2.gz WEBOQOQLGJEXAK-JIIZUDLJSA-N 1 0 306.837 3.377 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000363931606 434188352 /nfs/dbraw/zinc/18/83/52/434188352.db2.gz OKVNFAVGVDIVOB-BZSNNMDCSA-N 1 0 313.445 3.424 10 0 DGAERO C[C@H]1CCOCCN1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000378488145 434200788 /nfs/dbraw/zinc/20/07/88/434200788.db2.gz HOXYXAVMDMPJEN-NSHDSACASA-N 1 0 308.328 3.231 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000437361862 434254974 /nfs/dbraw/zinc/25/49/74/434254974.db2.gz BTMADDZSCABIKX-XHSDSOJGSA-N 1 0 306.837 3.187 10 0 DGAERO COC[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000379647189 434261605 /nfs/dbraw/zinc/26/16/05/434261605.db2.gz KDWAFSKEZFCTBU-RBUKOAKNSA-N 1 0 304.478 3.302 10 0 DGAERO CCCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379715131 434265554 /nfs/dbraw/zinc/26/55/54/434265554.db2.gz ZCPJODQVDMZTMA-QGZVFWFLSA-N 1 0 303.450 3.140 10 0 DGAERO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000380828371 434267221 /nfs/dbraw/zinc/26/72/21/434267221.db2.gz IOSNDZDCHZKCJO-DGCLKSJQSA-N 1 0 317.260 3.365 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)ccc1Br ZINC000380682120 434267579 /nfs/dbraw/zinc/26/75/79/434267579.db2.gz QTTPAJNTEDIWFH-ZIAGYGMSSA-N 1 0 312.251 3.398 10 0 DGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ncc(I)s1 ZINC000286284482 434222011 /nfs/dbraw/zinc/22/20/11/434222011.db2.gz BVNDCLOWNDKOIX-JGVFFNPUSA-N 1 0 322.215 3.026 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2Br)C1 ZINC000382495827 434279515 /nfs/dbraw/zinc/27/95/15/434279515.db2.gz LLNLEUYYRLLBKI-PWSUYJOCSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]([NH2+]Cc1c(Br)cnn1C)C1CCCCC1 ZINC000383935507 434288377 /nfs/dbraw/zinc/28/83/77/434288377.db2.gz GEFDEVVUSHLSPU-SNVBAGLBSA-N 1 0 300.244 3.241 10 0 DGAERO C[C@H](O)CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000450606023 434291022 /nfs/dbraw/zinc/29/10/22/434291022.db2.gz BWOUUDLGIREVHJ-INIZCTEOSA-N 1 0 322.452 3.145 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384276052 434291704 /nfs/dbraw/zinc/29/17/04/434291704.db2.gz TUELPLBRMRGODZ-JQWIXIFHSA-N 1 0 311.223 3.084 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384242113 434292218 /nfs/dbraw/zinc/29/22/18/434292218.db2.gz JJSRDBMQGBGQKT-PWSUYJOCSA-N 1 0 311.223 3.084 10 0 DGAERO C[N@H+](CCCOCc1ccccc1)C[C@@H](O)C1CCCCC1 ZINC000384044136 434292766 /nfs/dbraw/zinc/29/27/66/434292766.db2.gz VGQQOXOGLAREFE-LJQANCHMSA-N 1 0 305.462 3.466 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@H](C)O1 ZINC000384964228 434295183 /nfs/dbraw/zinc/29/51/83/434295183.db2.gz XCSAPBBYNJTKDH-VYUIOLGVSA-N 1 0 302.187 3.244 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Br)[C@H](C)O1 ZINC000384587918 434295810 /nfs/dbraw/zinc/29/58/10/434295810.db2.gz LXXNFPRQBLDCGI-VYUIOLGVSA-N 1 0 302.187 3.244 10 0 DGAERO FC(F)(F)c1cn2c(n1)CC[C@H](C[NH2+]Cc1ccsc1)C2 ZINC000328651469 434296609 /nfs/dbraw/zinc/29/66/09/434296609.db2.gz VXULTTWJNMRPKK-SNVBAGLBSA-N 1 0 315.364 3.316 10 0 DGAERO C[C@@H](C[NH+]1CCC(C(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000437594230 434297760 /nfs/dbraw/zinc/29/77/60/434297760.db2.gz PNPYAOPOYFNODQ-HNNXBMFYSA-N 1 0 318.436 3.264 10 0 DGAERO C[C@H]1[C@H](CO)CC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000386219747 434308153 /nfs/dbraw/zinc/30/81/53/434308153.db2.gz FJOLJLRYJDASRV-QWRGUYRKSA-N 1 0 304.217 3.075 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000386361072 434308826 /nfs/dbraw/zinc/30/88/26/434308826.db2.gz ZJIHPUBKUUMWFE-SMDDNHRTSA-N 1 0 316.214 3.181 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](CCCCCOc2ccccc2)C1 ZINC000437725684 434324086 /nfs/dbraw/zinc/32/40/86/434324086.db2.gz KRLODAQDBPOPGD-KRWDZBQOSA-N 1 0 318.461 3.226 10 0 DGAERO C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000388300165 434330875 /nfs/dbraw/zinc/33/08/75/434330875.db2.gz DQNHBVRQELWESE-YMTOWFKASA-N 1 0 301.217 3.050 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000324445262 434277018 /nfs/dbraw/zinc/27/70/18/434277018.db2.gz UJURTJCZWNOXFK-KOLCDFICSA-N 1 0 318.280 3.495 10 0 DGAERO C(=C\[C@@H]1CCCCC[N@H+]1C[C@H]1COCCO1)\c1cccs1 ZINC000450718358 434361646 /nfs/dbraw/zinc/36/16/46/434361646.db2.gz TVZHPQXQWAKJAQ-FLELRFNZSA-N 1 0 307.459 3.421 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000450722444 434365007 /nfs/dbraw/zinc/36/50/07/434365007.db2.gz BSLOPYRVTINUKC-GTNSWQLSSA-N 1 0 318.442 3.109 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000450722442 434365677 /nfs/dbraw/zinc/36/56/77/434365677.db2.gz BSLOPYRVTINUKC-APPDUMDISA-N 1 0 318.442 3.109 10 0 DGAERO CCn1cncc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390660151 434366802 /nfs/dbraw/zinc/36/68/02/434366802.db2.gz LOQFWDOCSMCUEF-YQQQUEKLSA-N 1 0 324.472 3.188 10 0 DGAERO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000390856425 434369070 /nfs/dbraw/zinc/36/90/70/434369070.db2.gz KRCFLGWDZWBXAW-QRVBRYPASA-N 1 0 316.489 3.180 10 0 DGAERO c1ccc2c(c1)COC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000417369596 434370176 /nfs/dbraw/zinc/37/01/76/434370176.db2.gz SJKNHZVFPRTWMH-LFEHRJTNSA-N 1 0 301.430 3.443 10 0 DGAERO O[C@H](C[NH2+]Cc1ccsc1Br)c1ccsc1 ZINC000388813981 434335138 /nfs/dbraw/zinc/33/51/38/434335138.db2.gz FMEFWKJHUFFCGW-SNVBAGLBSA-N 1 0 318.261 3.395 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccsc1Br ZINC000388444066 434338361 /nfs/dbraw/zinc/33/83/61/434338361.db2.gz WRNNLAVOAONYAU-JQWIXIFHSA-N 1 0 315.280 3.179 10 0 DGAERO C[NH+](C)C1(CNCc2ccsc2Br)CCCC1 ZINC000388837887 434341691 /nfs/dbraw/zinc/34/16/91/434341691.db2.gz TUVCSLIVUMFJRA-UHFFFAOYSA-N 1 0 317.296 3.475 10 0 DGAERO C[C@@H](NC(=O)Nc1cccc2c1OCCC2)C(C)(C)C[NH+](C)C ZINC000366142980 434345457 /nfs/dbraw/zinc/34/54/57/434345457.db2.gz NZYFGFBBODXGBE-CYBMUJFWSA-N 1 0 319.449 3.109 10 0 DGAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000389284420 434345667 /nfs/dbraw/zinc/34/56/67/434345667.db2.gz VOBNXVUEELYNNW-JQWIXIFHSA-N 1 0 315.230 3.333 10 0 DGAERO CC[C@@H](C)[NH+]1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000450864722 434447412 /nfs/dbraw/zinc/44/74/12/434447412.db2.gz VTKHRXYOEZSPMA-CYBMUJFWSA-N 1 0 310.401 3.297 10 0 DGAERO c1nc([C@H]2CCCO2)sc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353749516 434393135 /nfs/dbraw/zinc/39/31/35/434393135.db2.gz LMFKLEKFJPJNJS-WBVHZDCISA-N 1 0 322.474 3.387 10 0 DGAERO c1nc([C@H]2CCCO2)sc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353749514 434395430 /nfs/dbraw/zinc/39/54/30/434395430.db2.gz LMFKLEKFJPJNJS-NVXWUHKLSA-N 1 0 322.474 3.387 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000394921571 434411593 /nfs/dbraw/zinc/41/15/93/434411593.db2.gz WYFHIKRMLXTJFV-JQWIXIFHSA-N 1 0 316.214 3.229 10 0 DGAERO c1c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)nnn1CC1CC1 ZINC000450818613 434424775 /nfs/dbraw/zinc/42/47/75/434424775.db2.gz IKRMBHRRJKBDMA-MJGOQNOKSA-N 1 0 310.445 3.189 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN[C@H]1C ZINC000396677211 434428749 /nfs/dbraw/zinc/42/87/49/434428749.db2.gz UFYORXPYDIBSJE-XUJVJEKNSA-N 1 0 311.267 3.110 10 0 DGAERO CO[C@@H](C)C[N@H+](Cc1ccc(Br)cn1)C(C)C ZINC000353784067 434430745 /nfs/dbraw/zinc/43/07/45/434430745.db2.gz ZVEGZRHQMFPLHX-NSHDSACASA-N 1 0 301.228 3.089 10 0 DGAERO Cc1ncc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)s1 ZINC000397444088 434438745 /nfs/dbraw/zinc/43/87/45/434438745.db2.gz JAGHSOOUHDUFNX-UHFFFAOYSA-N 1 0 313.467 3.235 10 0 DGAERO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000450887706 434463452 /nfs/dbraw/zinc/46/34/52/434463452.db2.gz JIEBSEJLXGRJAR-RJZRQDKASA-N 1 0 301.352 3.424 10 0 DGAERO C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400361008 434488352 /nfs/dbraw/zinc/48/83/52/434488352.db2.gz QBIYJXXQHVWNAG-RWMBFGLXSA-N 1 0 314.495 3.116 10 0 DGAERO CC[C@H](CSC)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400769861 434492198 /nfs/dbraw/zinc/49/21/98/434492198.db2.gz ZWYYWJKHESXJKR-BFHYXJOUSA-N 1 0 316.511 3.363 10 0 DGAERO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(O)c2)CC1 ZINC000366721642 434494427 /nfs/dbraw/zinc/49/44/27/434494427.db2.gz LOIJBMWJNCAUBF-UHFFFAOYSA-N 1 0 324.424 3.049 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000522185867 294910313 /nfs/dbraw/zinc/91/03/13/294910313.db2.gz DEZSDZFQFJTBLZ-DOTOQJQBSA-N 1 0 320.477 3.424 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)[C@@H](C)O1 ZINC000398088862 434451540 /nfs/dbraw/zinc/45/15/40/434451540.db2.gz WIXYADJBPXXTTP-ZAWLATJESA-N 1 0 302.462 3.197 10 0 DGAERO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(Cl)cc1Cl ZINC000404221063 434511354 /nfs/dbraw/zinc/51/13/54/434511354.db2.gz UCPRZGDVFPUEIG-QMTHXVAHSA-N 1 0 304.217 3.186 10 0 DGAERO C[NH2+]Cc1ccccc1CNC(=O)c1scc(C)c1Cl ZINC000404805559 434522043 /nfs/dbraw/zinc/52/20/43/434522043.db2.gz RZKGTJMHGRAXJR-UHFFFAOYSA-N 1 0 308.834 3.359 10 0 DGAERO Cc1cc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)ccc1Br ZINC000407330379 434527897 /nfs/dbraw/zinc/52/78/97/434527897.db2.gz SDQFLERIHIJBNA-UONOGXRCSA-N 1 0 323.234 3.227 10 0 DGAERO CC(=O)[C@@](C)(O)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451155393 434560474 /nfs/dbraw/zinc/56/04/74/434560474.db2.gz AYCAOMRAZMUNFB-FQEVSTJZSA-N 1 0 309.409 3.052 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(CC)(c2ccccc2)C1 ZINC000458226134 434538002 /nfs/dbraw/zinc/53/80/02/434538002.db2.gz JTULPXMNGFOSOU-QGZVFWFLSA-N 1 0 300.446 3.051 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000408139778 434546042 /nfs/dbraw/zinc/54/60/42/434546042.db2.gz PHGOKBKHGNQANB-UNEWFSDZSA-N 1 0 324.428 3.232 10 0 DGAERO Cc1cc(C[N@@H+](C)CC[C@H](C)O)cc(C)c1OCC(F)(F)F ZINC000438976293 434550610 /nfs/dbraw/zinc/55/06/10/434550610.db2.gz GWRLJYGPEMVFSF-ZDUSSCGKSA-N 1 0 319.367 3.447 10 0 DGAERO CSCCN1C[C@H](C)[N@H+](CCSC)CC12CCCC2 ZINC000451341508 434566003 /nfs/dbraw/zinc/56/60/03/434566003.db2.gz LVPPQAVKHKPQEW-AWEZNQCLSA-N 1 0 302.553 3.031 10 0 DGAERO Cc1oc2nc(C[N@H+]3CCCC[C@H]3C(C)C)nc(N)c2c1C ZINC000408364168 434566283 /nfs/dbraw/zinc/56/62/83/434566283.db2.gz HYTUMANVVKXNMT-ZDUSSCGKSA-N 1 0 302.422 3.432 10 0 DGAERO Cc1oc2nc(C[N@H+]3CCCC[C@@H]3C(C)C)nc(N)c2c1C ZINC000408364167 434566747 /nfs/dbraw/zinc/56/67/47/434566747.db2.gz HYTUMANVVKXNMT-CYBMUJFWSA-N 1 0 302.422 3.432 10 0 DGAERO Cc1ccccc1C1CC([N@H+](CC(=O)NCC(C)C)C2CC2)C1 ZINC000525638487 295022966 /nfs/dbraw/zinc/02/29/66/295022966.db2.gz MNUMWKRHZSIAEV-UHFFFAOYSA-N 1 0 314.473 3.478 10 0 DGAERO COc1ccc([C@@H](CCn2cncn2)[NH2+]CCCC2CC2)cc1 ZINC000526118675 295058783 /nfs/dbraw/zinc/05/87/83/295058783.db2.gz NBQCBMHQZPMMAC-GOSISDBHSA-N 1 0 314.433 3.198 10 0 DGAERO FC(F)(F)c1sccc1CNC1CC[NH+](C2CC2)CC1 ZINC000527633947 295107266 /nfs/dbraw/zinc/10/72/66/295107266.db2.gz RELOKWPRXRAZOK-UHFFFAOYSA-N 1 0 304.381 3.483 10 0 DGAERO c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527734890 295122522 /nfs/dbraw/zinc/12/25/22/295122522.db2.gz AIHJMDOJOMQEIM-HKUYNNGSSA-N 1 0 319.445 3.151 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cscc1Br ZINC000527802489 295132993 /nfs/dbraw/zinc/13/29/93/295132993.db2.gz AGBFEAGNIOJWSA-SREGZZRCSA-N 1 0 304.253 3.412 10 0 DGAERO Brc1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)o1 ZINC000527807979 295134603 /nfs/dbraw/zinc/13/46/03/295134603.db2.gz OMCLZSMAQAAWJI-GFCCVEGCSA-N 1 0 313.239 3.149 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527807955 295134618 /nfs/dbraw/zinc/13/46/18/295134618.db2.gz OEYUJINRTWYXDL-HXUWFJFHSA-N 1 0 324.472 3.038 10 0 DGAERO c1c(C[NH2+]C[C@@H]2CCN2C2CCCC2)[nH]nc1-c1ccccc1 ZINC000527809008 295134642 /nfs/dbraw/zinc/13/46/42/295134642.db2.gz RWUBZZOPFVOHDO-SFHVURJKSA-N 1 0 310.445 3.183 10 0 DGAERO c1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2COC2)CCC3)cc1 ZINC000528026677 295168737 /nfs/dbraw/zinc/16/87/37/295168737.db2.gz QBQPGFMCASWDPW-AWEZNQCLSA-N 1 0 300.427 3.424 10 0 DGAERO c1ccc(COCCCC[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459395702 434577641 /nfs/dbraw/zinc/57/76/41/434577641.db2.gz YYZFZIJBYLKIQZ-UHFFFAOYSA-N 1 0 311.429 3.441 10 0 DGAERO CCn1nncc1C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000459402258 434580071 /nfs/dbraw/zinc/58/00/71/434580071.db2.gz FWOAUSYETDSLST-UHFFFAOYSA-N 1 0 304.825 3.331 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCc2cncn2C)ccc1OC(C)C ZINC000459396569 434575488 /nfs/dbraw/zinc/57/54/88/434575488.db2.gz QGJCCGSCGDGPHG-AWEZNQCLSA-N 1 0 317.433 3.109 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000079949686 295248436 /nfs/dbraw/zinc/24/84/36/295248436.db2.gz DUHNXLZHZDDDML-RDTXWAMCSA-N 1 0 316.445 3.089 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000261615003 295271401 /nfs/dbraw/zinc/27/14/01/295271401.db2.gz ACSNRVSGDOVGNP-ZIAGYGMSSA-N 1 0 316.420 3.359 10 0 DGAERO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@]12CCOC2 ZINC000459532672 434596451 /nfs/dbraw/zinc/59/64/51/434596451.db2.gz WWFMPCZQAUTWEI-QGZVFWFLSA-N 1 0 317.458 3.337 10 0 DGAERO c1cc(COc2ccc(C[NH+]3CC4(C3)CCCOC4)cc2)ccn1 ZINC000459615857 434632194 /nfs/dbraw/zinc/63/21/94/434632194.db2.gz ZMYQZRVGIAAZCT-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO CSCCC[N@H+](C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000439466226 434608919 /nfs/dbraw/zinc/60/89/19/434608919.db2.gz GTVRJWYVFKARCR-ZDUSSCGKSA-N 1 0 321.408 3.294 10 0 DGAERO c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424203938 434656408 /nfs/dbraw/zinc/65/64/08/434656408.db2.gz LOYMVXIMPJLIJZ-CLLJXQQHSA-N 1 0 314.410 3.427 10 0 DGAERO COc1ccc([C@H](CO)C[NH2+][C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000459728249 434679505 /nfs/dbraw/zinc/67/95/05/434679505.db2.gz GDEQAWDCQFCVCO-WDSOQIARSA-N 1 0 303.446 3.330 10 0 DGAERO Cc1csc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000440147905 434679644 /nfs/dbraw/zinc/67/96/44/434679644.db2.gz QQOIENLMXYEKDT-TZMCWYRMSA-N 1 0 307.463 3.036 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCc3ccc(Cl)cc32)CC1 ZINC000460233460 434750344 /nfs/dbraw/zinc/75/03/44/434750344.db2.gz VPQVBIQWHWGSLR-UHFFFAOYSA-N 1 0 319.836 3.064 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459774037 434711867 /nfs/dbraw/zinc/71/18/67/434711867.db2.gz VFKDXLNWUBIBEI-ZWKOTPCHSA-N 1 0 319.445 3.077 10 0 DGAERO C[N@H+](CCCO)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000440949766 434756170 /nfs/dbraw/zinc/75/61/70/434756170.db2.gz FWIVNCPBCSESCS-UHFFFAOYSA-N 1 0 303.377 3.219 10 0 DGAERO Cc1cccc(Nc2nnc(SC[C@H](C)[NH+](C)C)s2)c1C ZINC000460446985 434758747 /nfs/dbraw/zinc/75/87/47/434758747.db2.gz KUFMIMLFNFIQRX-NSHDSACASA-N 1 0 322.503 3.941 10 0 DGAERO CC(C)=CCC[C@@H](C)CC[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000360998793 434758851 /nfs/dbraw/zinc/75/88/51/434758851.db2.gz YWZDKFPFAPUSGV-SJLPKXTDSA-N 1 0 322.493 3.129 10 0 DGAERO C[C@H]([NH2+]CCn1cccn1)c1csc(-c2ccccc2F)n1 ZINC000361002201 434761410 /nfs/dbraw/zinc/76/14/10/434761410.db2.gz IPLIIXKRYIZJQT-LBPRGKRZSA-N 1 0 316.405 3.497 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000249091312 297140804 /nfs/dbraw/zinc/14/08/04/297140804.db2.gz KNGXJYBBSKIZSC-ZCPGHIKRSA-N 1 0 308.853 3.100 10 0 DGAERO COC1([C@@H](C)[NH2+]CCCc2c[nH]c3ccccc23)CCOCC1 ZINC000453106549 434802310 /nfs/dbraw/zinc/80/23/10/434802310.db2.gz GXYISOVJLTXBAZ-OAHLLOKOSA-N 1 0 316.445 3.274 10 0 DGAERO CCO[C@H](CC[NH2+][C@H](C)C1(OC)CCOCC1)C1CCCC1 ZINC000453127379 434809271 /nfs/dbraw/zinc/80/92/71/434809271.db2.gz IYOJKFRQDXKGBT-NVXWUHKLSA-N 1 0 313.482 3.146 10 0 DGAERO COC1([C@@H](C)[NH2+]CCc2cc3ccccc3o2)CCOCC1 ZINC000453132746 434810920 /nfs/dbraw/zinc/81/09/20/434810920.db2.gz AMBPZYHLTMBSMZ-CQSZACIVSA-N 1 0 303.402 3.149 10 0 DGAERO COC1([C@H](C)[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000453148654 434816051 /nfs/dbraw/zinc/81/60/51/434816051.db2.gz QLTZZDWNIPLPFH-SZMVWBNQSA-N 1 0 303.446 3.496 10 0 DGAERO CC[C@H](C[NH2+][C@@H](C)C1(OC)CCOCC1)Oc1cccc(C)c1 ZINC000453150969 434817847 /nfs/dbraw/zinc/81/78/47/434817847.db2.gz NEQXVJRNDQQCSN-DLBZAZTESA-N 1 0 321.461 3.326 10 0 DGAERO Cc1ccc(F)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c1 ZINC000412054959 434863233 /nfs/dbraw/zinc/86/32/33/434863233.db2.gz JYWGMUDMCYRRAK-INIZCTEOSA-N 1 0 304.409 3.111 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2ccc3[nH]c(C)cc3c2)CCOCC1 ZINC000453214170 434830801 /nfs/dbraw/zinc/83/08/01/434830801.db2.gz DTLYERJNXFIYNO-AWEZNQCLSA-N 1 0 302.418 3.150 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@@H](C2CC2)C2CCCC2)n1 ZINC000453236863 434836917 /nfs/dbraw/zinc/83/69/17/434836917.db2.gz ZATNOAAMFHBCPX-MRXNPFEDSA-N 1 0 322.474 3.421 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)NCC(C)(C)[NH+](C)C ZINC000521575803 434889273 /nfs/dbraw/zinc/88/92/73/434889273.db2.gz ZCYMLQAOBGJTCD-INIZCTEOSA-N 1 0 320.477 3.424 10 0 DGAERO c1c2cccnc2oc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000573534512 434905819 /nfs/dbraw/zinc/90/58/19/434905819.db2.gz UDVNLZZQSXHSJD-UHFFFAOYSA-N 1 0 308.385 3.113 10 0 DGAERO C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000463491711 434962558 /nfs/dbraw/zinc/96/25/58/434962558.db2.gz AKYBRCHOFMXZNO-KBPBESRZSA-N 1 0 320.399 3.299 10 0 DGAERO CO[C@H](C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C(C)C ZINC000462783047 434927031 /nfs/dbraw/zinc/92/70/31/434927031.db2.gz HVZOQMLOEIJXEU-MRXNPFEDSA-N 1 0 307.434 3.403 10 0 DGAERO CCN(CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC1 ZINC000462795971 434929240 /nfs/dbraw/zinc/92/92/40/434929240.db2.gz HMRAXNRHERIKDM-UHFFFAOYSA-N 1 0 318.461 3.216 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000462797505 434929826 /nfs/dbraw/zinc/92/98/26/434929826.db2.gz GFLKMNKNFLQIJI-WKILWMFISA-N 1 0 305.418 3.035 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC(C)(C)CCO)cc1 ZINC000462792156 434930230 /nfs/dbraw/zinc/93/02/30/434930230.db2.gz DARJYGGQFBRBNJ-UHFFFAOYSA-N 1 0 307.434 3.140 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000462798644 434930275 /nfs/dbraw/zinc/93/02/75/434930275.db2.gz RVJQDQTUCOJLLO-DOTOQJQBSA-N 1 0 319.445 3.283 10 0 DGAERO COC1(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CCCCC1 ZINC000556699983 435020304 /nfs/dbraw/zinc/02/03/04/435020304.db2.gz UITBUUMAQGOQRI-CQSZACIVSA-N 1 0 305.422 3.086 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCCC2CC2)C1 ZINC000524564031 434979861 /nfs/dbraw/zinc/97/98/61/434979861.db2.gz VIFLMYLOSPWQRD-IYBDPMFKSA-N 1 0 309.498 3.234 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000466081658 435059224 /nfs/dbraw/zinc/05/92/24/435059224.db2.gz FCACUTSTYNOFTH-MSOLQXFVSA-N 1 0 321.509 3.376 10 0 DGAERO C[C@@H]1C[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465674272 435037355 /nfs/dbraw/zinc/03/73/55/435037355.db2.gz BOGBHADCXYBUDF-IXYNUQLISA-N 1 0 321.490 3.086 10 0 DGAERO CCOC(=O)C[N@H+](CCCc1ccccc1OC)C1CCC1 ZINC000467182265 435110369 /nfs/dbraw/zinc/11/03/69/435110369.db2.gz SCVTYGWTVCILAH-UHFFFAOYSA-N 1 0 305.418 3.045 10 0 DGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000558971269 435118341 /nfs/dbraw/zinc/11/83/41/435118341.db2.gz RLFLZSNDDMITDU-OWSLCNJRSA-N 1 0 309.494 3.359 10 0 DGAERO Cc1nc(C)c(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC000531794031 435118778 /nfs/dbraw/zinc/11/87/78/435118778.db2.gz BNPOWTUZLHEUHJ-UHFFFAOYSA-N 1 0 310.467 3.098 10 0 DGAERO CC[C@H](Cc1ccccc1)[N@H+](CC)CC(=O)N(C)CC1CC1 ZINC000468958320 435129157 /nfs/dbraw/zinc/12/91/57/435129157.db2.gz LAVIZQVKCSFHOW-GOSISDBHSA-N 1 0 302.462 3.198 10 0 DGAERO CC[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)C1CCOCC1 ZINC000560909230 435193734 /nfs/dbraw/zinc/19/37/34/435193734.db2.gz JKTAPGVOBWUSEB-CVEARBPZSA-N 1 0 305.418 3.011 10 0 DGAERO Cc1csc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)n1 ZINC000532918099 435197780 /nfs/dbraw/zinc/19/77/80/435197780.db2.gz ZMSVYCHEBMUNCE-IACUBPJLSA-N 1 0 307.463 3.291 10 0 DGAERO Cc1cc(C)c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(C)c1 ZINC000475627678 435205924 /nfs/dbraw/zinc/20/59/24/435205924.db2.gz UGZKLYDTPORZEA-LJQANCHMSA-N 1 0 303.446 3.382 10 0 DGAERO Fc1ccc(OCC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000533045404 435206422 /nfs/dbraw/zinc/20/64/22/435206422.db2.gz YWBADEFWJPXCTB-QGZVFWFLSA-N 1 0 300.377 3.391 10 0 DGAERO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000560175726 435151180 /nfs/dbraw/zinc/15/11/80/435151180.db2.gz VMLBWQJXHOLQJX-APWZRJJASA-N 1 0 311.425 3.239 10 0 DGAERO C[C@H](CCc1cccc(F)c1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475626897 435206752 /nfs/dbraw/zinc/20/67/52/435206752.db2.gz PUQJJNATFHWGDI-DNVCBOLYSA-N 1 0 321.436 3.417 10 0 DGAERO C[N@H+](CC1CC1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475044636 435171301 /nfs/dbraw/zinc/17/13/01/435171301.db2.gz DGGHZQMFIPLSTL-CQSZACIVSA-N 1 0 313.228 3.441 10 0 DGAERO C(C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1)[C@@H]1CCOC1 ZINC000561972055 435243725 /nfs/dbraw/zinc/24/37/25/435243725.db2.gz ZYBFIEGRPRKMSX-UKRRQHHQSA-N 1 0 305.422 3.291 10 0 DGAERO C([C@H]1CCCCO1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000567301309 435305341 /nfs/dbraw/zinc/30/53/41/435305341.db2.gz WPBDMIGRADJLJN-CABCVRRESA-N 1 0 305.422 3.433 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000534912687 435305683 /nfs/dbraw/zinc/30/56/83/435305683.db2.gz IQYVINPILNUQMO-RBUKOAKNSA-N 1 0 314.473 3.188 10 0 DGAERO C[N@H+](Cc1ccccc1OCc1ccncc1)C1CCOCC1 ZINC000535080832 435317141 /nfs/dbraw/zinc/31/71/41/435317141.db2.gz CMBRMNOSFAOCRJ-UHFFFAOYSA-N 1 0 312.413 3.271 10 0 DGAERO COc1sc(C[N@H+](C)C2CCOCC2)cc1Br ZINC000535080046 435318452 /nfs/dbraw/zinc/31/84/52/435318452.db2.gz OZVOFHFOLIPLJY-UHFFFAOYSA-N 1 0 320.252 3.130 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCC(C)(C)C2)CC1 ZINC000511380307 435320817 /nfs/dbraw/zinc/32/08/17/435320817.db2.gz RDQZZHKFXHKACP-MRXNPFEDSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC000479503121 435336336 /nfs/dbraw/zinc/33/63/36/435336336.db2.gz LZKMOVDJIHFWFY-LBPRGKRZSA-N 1 0 302.409 3.001 10 0 DGAERO C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C1CCOCC1 ZINC000535804303 435355148 /nfs/dbraw/zinc/35/51/48/435355148.db2.gz IUNHWMKSWRMPMI-UHFFFAOYSA-N 1 0 305.809 3.137 10 0 DGAERO OCCC1([NH2+]Cc2ccc(F)cc2Br)CCCC1 ZINC000512496458 435361422 /nfs/dbraw/zinc/36/14/22/435361422.db2.gz KRSFSOBUQCWBAU-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO CCOC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)CC2(C)C)cc1 ZINC000536669033 435401318 /nfs/dbraw/zinc/40/13/18/435401318.db2.gz XVNXEQPYUMXGSO-AWEZNQCLSA-N 1 0 305.418 3.249 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC000513524029 435391836 /nfs/dbraw/zinc/39/18/36/435391836.db2.gz DNOFSEAWOQAMJB-LPDYGMJQSA-N 1 0 306.837 3.342 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](C)CN1CCOCC1 ZINC000513527931 435392039 /nfs/dbraw/zinc/39/20/39/435392039.db2.gz VXWVAQFDELCEIE-QZFKAFNDSA-N 1 0 322.880 3.301 10 0 DGAERO Cc1nc(CC[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cs1 ZINC000536607503 435392796 /nfs/dbraw/zinc/39/27/96/435392796.db2.gz YJBCRLLGLQZIRH-AWEZNQCLSA-N 1 0 324.490 3.438 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccc(Cl)cc1Cl ZINC000644008801 435393822 /nfs/dbraw/zinc/39/38/22/435393822.db2.gz FBHWWPOEPKUPGF-PELKAZGASA-N 1 0 301.217 3.169 10 0 DGAERO COc1c(O)cccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000568124625 435395020 /nfs/dbraw/zinc/39/50/20/435395020.db2.gz WFBOIVXUUHFSFE-UHFFFAOYSA-N 1 0 305.418 3.039 10 0 DGAERO CC[C@H](C[N@@H+]1CCCN(c2cccnn2)CC1)c1ccccc1 ZINC000513643368 435397267 /nfs/dbraw/zinc/39/72/67/435397267.db2.gz TYPPYZTWTAAUMS-QGZVFWFLSA-N 1 0 310.445 3.183 10 0 DGAERO Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CCOCC1CCC1 ZINC000515103432 435464073 /nfs/dbraw/zinc/46/40/73/435464073.db2.gz IJEBQKXIFDIYFP-UHFFFAOYSA-N 1 0 321.371 3.261 10 0 DGAERO C[C@@H]1CC[N@H+](CCNCc2ncc(-c3ccccc3)s2)C1 ZINC000537776139 435465174 /nfs/dbraw/zinc/46/51/74/435465174.db2.gz BMLOBUQSKBHIBG-CQSZACIVSA-N 1 0 301.459 3.242 10 0 DGAERO c1nc2cc(C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)ccc2[nH]1 ZINC000537865314 435470150 /nfs/dbraw/zinc/47/01/50/435470150.db2.gz XTHGFLOOWMTFAQ-QFBILLFUSA-N 1 0 307.397 3.430 10 0 DGAERO CCSc1ccc(Cl)cc1C(=O)N(C)CCC[NH+](C)C ZINC000537214387 435429817 /nfs/dbraw/zinc/42/98/17/435429817.db2.gz BCGZSXHITASEQD-UHFFFAOYSA-N 1 0 314.882 3.476 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000538751647 435519603 /nfs/dbraw/zinc/51/96/03/435519603.db2.gz FTASYBXLJGQNBA-WMZOPIPTSA-N 1 0 301.430 3.334 10 0 DGAERO C[C@H](CCO)[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1 ZINC000538961071 435531511 /nfs/dbraw/zinc/53/15/11/435531511.db2.gz ZIBUJUAPOZRVIU-MRXNPFEDSA-N 1 0 317.404 3.478 10 0 DGAERO c1csc(N2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)n1 ZINC000569611061 435546716 /nfs/dbraw/zinc/54/67/16/435546716.db2.gz RDPVQSOTDFRBGK-OAHLLOKOSA-N 1 0 313.470 3.070 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000539416191 435551706 /nfs/dbraw/zinc/55/17/06/435551706.db2.gz DGPVYGWTEHTJSI-UHFFFAOYSA-N 1 0 300.855 3.086 10 0 DGAERO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@]3(C)CCCO)n2)cc1 ZINC000539615397 435559335 /nfs/dbraw/zinc/55/93/35/435559335.db2.gz IDRFIQVVWOOZAN-GOSISDBHSA-N 1 0 315.417 3.172 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000540702454 435614292 /nfs/dbraw/zinc/61/42/92/435614292.db2.gz UFSWTEPLNDSJRQ-LPHOPBHVSA-N 1 0 313.441 3.474 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000540702459 435614793 /nfs/dbraw/zinc/61/47/93/435614793.db2.gz UFSWTEPLNDSJRQ-VQIMIIECSA-N 1 0 313.441 3.474 10 0 DGAERO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000486810128 435615817 /nfs/dbraw/zinc/61/58/17/435615817.db2.gz QTEQNCGTQGFSIX-LJQANCHMSA-N 1 0 314.473 3.342 10 0 DGAERO COC[C@H](C)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000570432999 435618193 /nfs/dbraw/zinc/61/81/93/435618193.db2.gz PNWMRIWHEJADSW-SNVBAGLBSA-N 1 0 304.203 3.303 10 0 DGAERO O=S1(=O)CCc2cc(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)ccc21 ZINC000540953830 435627630 /nfs/dbraw/zinc/62/76/30/435627630.db2.gz FCUUXGISWFPRIC-SJORKVTESA-N 1 0 319.470 3.075 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1CCCc2ccccc21 ZINC000490537812 435660923 /nfs/dbraw/zinc/66/09/23/435660923.db2.gz UOPSMQWJLWMUNV-FQEVSTJZSA-N 1 0 318.424 3.494 10 0 DGAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000548158083 435672875 /nfs/dbraw/zinc/67/28/75/435672875.db2.gz ARGKEYVOEYUNRL-LSDHHAIUSA-N 1 0 311.466 3.388 10 0 DGAERO COc1cccc(C[C@@H]([NH2+]CCc2cc(C)no2)C2CC2)c1 ZINC000571307672 435697363 /nfs/dbraw/zinc/69/73/63/435697363.db2.gz KPMVIUDOYLAEHM-GOSISDBHSA-N 1 0 300.402 3.145 10 0 DGAERO CC[C@H](O)C[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000548939665 435729315 /nfs/dbraw/zinc/72/93/15/435729315.db2.gz JLXIYZGPOZOOKD-KBPBESRZSA-N 1 0 305.315 3.347 10 0 DGAERO c1ccc2c(c1)O[C@@H](C[NH2+]Cc1cccc3c1OCO3)CS2 ZINC000520229184 435730021 /nfs/dbraw/zinc/73/00/21/435730021.db2.gz DRBWHJJTSDIRMO-ZDUSSCGKSA-N 1 0 315.394 3.058 10 0 DGAERO c1cc(C[NH2+]CCc2ccc3c(c2)CCO3)n(-c2ccccc2)n1 ZINC000520333683 435737584 /nfs/dbraw/zinc/73/75/84/435737584.db2.gz SPDBXZPBVPDSAA-UHFFFAOYSA-N 1 0 319.408 3.140 10 0 DGAERO NC(=O)C[C@@H]([NH2+][C@H]1CC[C@H]1C1CCC1)c1cccc(Cl)c1 ZINC000549378058 435758092 /nfs/dbraw/zinc/75/80/92/435758092.db2.gz SOHWIHMPZIEXQA-HRCADAONSA-N 1 0 306.837 3.425 10 0 DGAERO CCc1nc(C)c(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC000548667846 435708691 /nfs/dbraw/zinc/70/86/91/435708691.db2.gz XDKZTNKFBVFGJF-UHFFFAOYSA-N 1 0 324.494 3.352 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCN2CC=C(C)CC2)c(C)c1OC ZINC000552068193 435878349 /nfs/dbraw/zinc/87/83/49/435878349.db2.gz MUVMHSINKSQFAE-MRXNPFEDSA-N 1 0 318.461 3.315 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cncc(Br)c1 ZINC000657891901 436334960 /nfs/dbraw/zinc/33/49/60/436334960.db2.gz ZHQHBWYOXCBYBG-MJVIPROJSA-N 1 0 313.239 3.046 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(F)c(Br)c1F ZINC000662918989 436401716 /nfs/dbraw/zinc/40/17/16/436401716.db2.gz LRCYAXLFGGLZBM-KSBSHMNSSA-N 1 0 321.165 3.039 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(F)c(Cl)cc1Cl ZINC000658246063 436409624 /nfs/dbraw/zinc/40/96/24/436409624.db2.gz WVDIBVMBDNISOJ-RKDXNWHRSA-N 1 0 319.207 3.261 10 0 DGAERO FC(F)(F)c1cccc([C@@H]([NH2+]CC2OCCO2)C2CC2)c1 ZINC000180272114 303118780 /nfs/dbraw/zinc/11/87/80/303118780.db2.gz KRETVVZBRXRLNF-AWEZNQCLSA-N 1 0 301.308 3.119 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000261737714 303364439 /nfs/dbraw/zinc/36/44/39/303364439.db2.gz YYQSXDVQBXLELP-ZKUYNTJRSA-N 1 0 304.478 3.225 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccoc1 ZINC000177932840 312784701 /nfs/dbraw/zinc/78/47/01/312784701.db2.gz IFHDMRQNWBCBEJ-HNNXBMFYSA-N 1 0 308.381 3.340 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179593044 312810206 /nfs/dbraw/zinc/81/02/06/312810206.db2.gz VQIWRLPJFQVHAL-NSHDSACASA-N 1 0 314.376 3.243 10 0 DGAERO CCC[C@H](C)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000179729722 312815257 /nfs/dbraw/zinc/81/52/57/312815257.db2.gz CGIFABJTZGCNJT-HNNXBMFYSA-N 1 0 303.450 3.477 10 0 DGAERO CCOC[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299985358 312820257 /nfs/dbraw/zinc/82/02/57/312820257.db2.gz JCQFAVVBERIBSI-ZNMIVQPWSA-N 1 0 314.470 3.037 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)N1CCCC12CCC2)c1ccc(F)cc1 ZINC000377267613 313034966 /nfs/dbraw/zinc/03/49/66/313034966.db2.gz PZVVPEDMTWXAMW-INIZCTEOSA-N 1 0 319.424 3.157 10 0 DGAERO Cc1c2ccccc2oc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531966521 313505746 /nfs/dbraw/zinc/50/57/46/313505746.db2.gz PAMIHMDVYKKWEH-UHFFFAOYSA-N 1 0 322.412 3.290 10 0 DGAERO CC(C)[C@H](CC1CCCCC1)C(=O)NCCNc1cc[nH+]cc1 ZINC000535262118 313706755 /nfs/dbraw/zinc/70/67/55/313706755.db2.gz NDGGVIBZMMYLDC-SFHVURJKSA-N 1 0 317.477 3.274 10 0 DGAERO Cc1ccc(-c2nc(C)c(C(=O)N(C)CCC[NH+](C)C)s2)o1 ZINC000538316800 313856647 /nfs/dbraw/zinc/85/66/47/313856647.db2.gz OGOOREFOUATJDH-UHFFFAOYSA-N 1 0 321.446 3.044 10 0 DGAERO C/C=C\COc1ccc(CC[C@@H](C)[NH2+]Cc2ccn(C)n2)cc1 ZINC000539063519 313898131 /nfs/dbraw/zinc/89/81/31/313898131.db2.gz JAYFLYKVRGSJOS-YIEVGGLXSA-N 1 0 313.445 3.486 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cccc(OC2CCCC2)c1 ZINC000539417662 313911772 /nfs/dbraw/zinc/91/17/72/313911772.db2.gz RKYFOABZQYPVNI-UHFFFAOYSA-N 1 0 304.434 3.032 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc3c(s2)CCCC3)C1 ZINC000540156098 313949578 /nfs/dbraw/zinc/94/95/78/313949578.db2.gz FWTQDWVPAPJZEG-JSGCOSHPSA-N 1 0 321.490 3.081 10 0 DGAERO Cc1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CC=CCC2)cc1F ZINC000541318519 314006902 /nfs/dbraw/zinc/00/69/02/314006902.db2.gz BGNALRWUOICWCD-OAHLLOKOSA-N 1 0 304.409 3.038 10 0 DGAERO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000541314678 314007010 /nfs/dbraw/zinc/00/70/10/314007010.db2.gz JHXIVAZHGWALNK-MSOLQXFVSA-N 1 0 314.473 3.330 10 0 DGAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000541341080 314010222 /nfs/dbraw/zinc/01/02/22/314010222.db2.gz DLHVLLWXHXUIKD-IRXDYDNUSA-N 1 0 321.509 3.495 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](c2cccc(C)c2)C1 ZINC000541478934 314017255 /nfs/dbraw/zinc/01/72/55/314017255.db2.gz PYWFALKBQDEJPF-ZWKOTPCHSA-N 1 0 300.446 3.185 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1)c1ccc(Cl)cc1 ZINC000541890131 314046473 /nfs/dbraw/zinc/04/64/73/314046473.db2.gz KFWALXPORHWAGG-MRXNPFEDSA-N 1 0 318.804 3.078 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000542153529 314058780 /nfs/dbraw/zinc/05/87/80/314058780.db2.gz HUUBHDMUSRUDBV-YOEHRIQHSA-N 1 0 306.425 3.137 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000542425784 314075434 /nfs/dbraw/zinc/07/54/34/314075434.db2.gz AIWPTSUVLKBZAK-IAGOWNOFSA-N 1 0 304.478 3.456 10 0 DGAERO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)cc1 ZINC000542484826 314079105 /nfs/dbraw/zinc/07/91/05/314079105.db2.gz WKSCSOYNYFWLIY-HZPDHXFCSA-N 1 0 317.429 3.415 10 0 DGAERO CCOCCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542671220 314090284 /nfs/dbraw/zinc/09/02/84/314090284.db2.gz SUAVZPMKYIXZSL-INIZCTEOSA-N 1 0 307.825 3.179 10 0 DGAERO O=C(Cc1cccc(O)c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000542818783 314101185 /nfs/dbraw/zinc/10/11/85/314101185.db2.gz NNBFAOUODDMIOV-UHFFFAOYSA-N 1 0 324.424 3.064 10 0 DGAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000543299861 314126456 /nfs/dbraw/zinc/12/64/56/314126456.db2.gz DUKXSSKRKKPMEI-XWTMOSNGSA-N 1 0 321.509 3.351 10 0 DGAERO Cc1ccc(-c2ccc(C(=O)N(C)CCC[NH+](C)C)s2)o1 ZINC000543813987 314159629 /nfs/dbraw/zinc/15/96/29/314159629.db2.gz QWKKDJHHUORKRD-UHFFFAOYSA-N 1 0 306.431 3.340 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000544254916 314182737 /nfs/dbraw/zinc/18/27/37/314182737.db2.gz ZHEWHHHOEUIQGQ-LSDHHAIUSA-N 1 0 321.490 3.349 10 0 DGAERO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccoc1C1CC1 ZINC000545966142 314280230 /nfs/dbraw/zinc/28/02/30/314280230.db2.gz IOWAQKIKXLGHLX-UHFFFAOYSA-N 1 0 314.385 3.480 10 0 DGAERO COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CCCC[C@H]1C1CC1)CCC2 ZINC000546227695 314297194 /nfs/dbraw/zinc/29/71/94/314297194.db2.gz LJZQIRROKRPBLA-OKZBNKHCSA-N 1 0 317.477 3.465 10 0 DGAERO COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CCCC[C@@H]1C1CC1)CCC2 ZINC000546227569 314297325 /nfs/dbraw/zinc/29/73/25/314297325.db2.gz LJZQIRROKRPBLA-FGTMMUONSA-N 1 0 317.477 3.465 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)NCc2cccc3ccccc32)CC1 ZINC000546565826 314311437 /nfs/dbraw/zinc/31/14/37/314311437.db2.gz GKMCCDMPLRVHCB-UHFFFAOYSA-N 1 0 323.440 3.291 10 0 DGAERO CCc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1C ZINC000546582943 314312259 /nfs/dbraw/zinc/31/22/59/314312259.db2.gz AYRLQXBFRAOOHV-UHFFFAOYSA-N 1 0 301.434 3.331 10 0 DGAERO c1cc(C[NH+]2CCCC2)cc(-c2nc(Cc3ccncc3)no2)c1 ZINC000547011002 314340541 /nfs/dbraw/zinc/34/05/41/314340541.db2.gz HCNFFYGAZKRDLD-UHFFFAOYSA-N 1 0 320.396 3.318 10 0 DGAERO CCN(Cc1ccc(C)cc1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000547271837 314352291 /nfs/dbraw/zinc/35/22/91/314352291.db2.gz QUUQGAKOJVYHET-UHFFFAOYSA-N 1 0 315.461 3.179 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCCOC(F)F)cc1 ZINC000549821498 314520067 /nfs/dbraw/zinc/52/00/67/314520067.db2.gz ZLRCGIDGGDTZEH-UHFFFAOYSA-N 1 0 315.360 3.361 10 0 DGAERO CCOc1cccc(CC[NH2+][C@@H](COC)Cc2ccccc2)c1 ZINC000552580274 314619963 /nfs/dbraw/zinc/61/99/63/314619963.db2.gz XOYARHCGQZPZCS-LJQANCHMSA-N 1 0 313.441 3.475 10 0 DGAERO C(=C\c1ccccc1)\CC[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000562700253 315045640 /nfs/dbraw/zinc/04/56/40/315045640.db2.gz PLPWAJGGXBLZKT-HRFKEGQDSA-N 1 0 314.473 3.323 10 0 DGAERO c1c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)[nH]nc1-c1ccccc1 ZINC000563159204 315084422 /nfs/dbraw/zinc/08/44/22/315084422.db2.gz YNOWPBULRURLPN-QGZVFWFLSA-N 1 0 304.397 3.461 10 0 DGAERO COc1cccc(C[NH2+]CCOCC2CCC2)c1OC(F)F ZINC000568578176 315520594 /nfs/dbraw/zinc/52/05/94/315520594.db2.gz OOBMFOMDXVGDMF-UHFFFAOYSA-N 1 0 315.360 3.203 10 0 DGAERO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CC[C@@H]3C3CCC3)n2)c1 ZINC000570698549 315669047 /nfs/dbraw/zinc/66/90/47/315669047.db2.gz JERRKZRGQPHKJE-NWANDNLSSA-N 1 0 311.433 3.404 10 0 DGAERO COC[C@@H](O)C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000577068347 316199370 /nfs/dbraw/zinc/19/93/70/316199370.db2.gz RPFPNCFCGJTDPK-BBWFWOEESA-N 1 0 311.853 3.353 10 0 DGAERO O=C(c1cc2sccc2s1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577602071 316252277 /nfs/dbraw/zinc/25/22/77/316252277.db2.gz PXKDVEWPAHWWNI-OAHLLOKOSA-N 1 0 306.456 3.179 10 0 DGAERO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cccc(O)c2)CC1 ZINC000577975324 316290514 /nfs/dbraw/zinc/29/05/14/316290514.db2.gz OJOXQONWJHNNHF-UHFFFAOYSA-N 1 0 324.424 3.129 10 0 DGAERO COc1ccc(-c2cnc(C[NH2+][C@H](C)C3CCOCC3)o2)cc1 ZINC000179842778 323215774 /nfs/dbraw/zinc/21/57/74/323215774.db2.gz IHDRAMAQEAFVQG-CYBMUJFWSA-N 1 0 316.401 3.255 10 0 DGAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180083509 323220839 /nfs/dbraw/zinc/22/08/39/323220839.db2.gz FIAVSKAXHYAXBU-KGLIPLIRSA-N 1 0 312.479 3.024 10 0 DGAERO Cc1c(NC(=O)NCC[N@H+]2CCCC[C@H]2C)cccc1N(C)C ZINC000180111007 323221625 /nfs/dbraw/zinc/22/16/25/323221625.db2.gz LUBZCAVXDSDLRO-CQSZACIVSA-N 1 0 318.465 3.057 10 0 DGAERO Cc1ccc(CCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000180098508 323221638 /nfs/dbraw/zinc/22/16/38/323221638.db2.gz MEZWRRDLKKLXDB-PZJWPPBQSA-N 1 0 322.452 3.489 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000180335105 323226830 /nfs/dbraw/zinc/22/68/30/323226830.db2.gz XNRFVMJKSXENKI-IBGZPJMESA-N 1 0 310.441 3.325 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000180335087 323226916 /nfs/dbraw/zinc/22/69/16/323226916.db2.gz XNRFVMJKSXENKI-LJQANCHMSA-N 1 0 310.441 3.325 10 0 DGAERO CCC[C@@H]([NH2+][C@@H]1CCc2nc(CC)nn2C1)C1CCCCC1 ZINC000180620533 323233913 /nfs/dbraw/zinc/23/39/13/323233913.db2.gz FAPSSKFHNDCITP-HZPDHXFCSA-N 1 0 304.482 3.494 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2cc(F)ccc2o1 ZINC000180834175 323239455 /nfs/dbraw/zinc/23/94/55/323239455.db2.gz MZVDEZCIKGLUCO-UONOGXRCSA-N 1 0 303.381 3.026 10 0 DGAERO Cc1ccc(CC[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000180938344 323241564 /nfs/dbraw/zinc/24/15/64/323241564.db2.gz JZGRDIKENMLXNZ-INIZCTEOSA-N 1 0 306.413 3.469 10 0 DGAERO C[C@H](C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C)CS(C)(=O)=O ZINC000181068430 323245360 /nfs/dbraw/zinc/24/53/60/323245360.db2.gz WUGDBICXDOZGCD-DOMZBBRYSA-N 1 0 315.454 3.183 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(CC)CC ZINC000181466618 323255747 /nfs/dbraw/zinc/25/57/47/323255747.db2.gz BGUZQLLOFSKZJX-SJORKVTESA-N 1 0 324.509 3.207 10 0 DGAERO CC[C@@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1nccs1 ZINC000181807364 323270139 /nfs/dbraw/zinc/27/01/39/323270139.db2.gz VCDACSNBOQVAQW-UONOGXRCSA-N 1 0 324.494 3.158 10 0 DGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000182029813 323280188 /nfs/dbraw/zinc/28/01/88/323280188.db2.gz YUDCRGZAENPNFQ-KRWDZBQOSA-N 1 0 314.473 3.200 10 0 DGAERO CNC(=O)c1ccc(C[N@H+](C)C[C@@H](C)Cc2ccccc2)cc1 ZINC000182029176 323280377 /nfs/dbraw/zinc/28/03/77/323280377.db2.gz KYVRFOSAEYPKQH-INIZCTEOSA-N 1 0 310.441 3.357 10 0 DGAERO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1C(C)C)[C@@H]1CCCO1 ZINC000182232006 323288785 /nfs/dbraw/zinc/28/87/85/323288785.db2.gz VSVXUTJPPTTXPP-IEZWGBDMSA-N 1 0 321.461 3.097 10 0 DGAERO CC[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1CC)[C@@H]1CCCO1 ZINC000182355715 323295421 /nfs/dbraw/zinc/29/54/21/323295421.db2.gz JLBUGENMIJDQOY-CJNGLKHVSA-N 1 0 305.397 3.243 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ccccn3)C1)CCCO2 ZINC000182389880 323296697 /nfs/dbraw/zinc/29/66/97/323296697.db2.gz UAOZOCIPFLFZDU-FUHWJXTLSA-N 1 0 323.440 3.472 10 0 DGAERO CC[C@H]([NH2+]C[C@H](O)COc1ccc(C)cc1)c1c(C)noc1C ZINC000182472578 323300559 /nfs/dbraw/zinc/30/05/59/323300559.db2.gz JZCFPVODTREJMP-RDJZCZTQSA-N 1 0 318.417 3.080 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1cccc(Cl)c1 ZINC000182598790 323305866 /nfs/dbraw/zinc/30/58/66/323305866.db2.gz OJFRTOQWGWCWDW-RISCZKNCSA-N 1 0 303.855 3.061 10 0 DGAERO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000183054356 323322582 /nfs/dbraw/zinc/32/25/82/323322582.db2.gz VHGFOIAVFIKFHE-CVEARBPZSA-N 1 0 302.466 3.204 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1 ZINC000183089976 323324585 /nfs/dbraw/zinc/32/45/85/323324585.db2.gz PWVIOEXYMFTHDZ-OHOGDBNVSA-N 1 0 317.454 3.466 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@@H](C)CC2CCCCC2)CCN1C[C@@H](C)O ZINC000183332569 323334505 /nfs/dbraw/zinc/33/45/05/323334505.db2.gz UEBHQMXUWQVODA-YQVWRLOYSA-N 1 0 310.526 3.370 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)c1 ZINC000183492447 323340049 /nfs/dbraw/zinc/34/00/49/323340049.db2.gz KEZDQKBOKZPOOJ-HKUYNNGSSA-N 1 0 308.425 3.319 10 0 DGAERO CCCC[C@H](CC)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000183614283 323343597 /nfs/dbraw/zinc/34/35/97/323343597.db2.gz XIQHBQCMOJRHJZ-SFHVURJKSA-N 1 0 320.525 3.496 10 0 DGAERO Clc1cnc(OCC[NH2+][C@@H]2CCCSC2)c(Cl)c1 ZINC000183618413 323343671 /nfs/dbraw/zinc/34/36/71/323343671.db2.gz QFEMZRGOMGNYPS-SNVBAGLBSA-N 1 0 307.246 3.252 10 0 DGAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCCSC2)[C@H]1c1ccc(Cl)cc1 ZINC000183635180 323344549 /nfs/dbraw/zinc/34/45/49/323344549.db2.gz JXXTWEOCXAPEST-IJEWVQPXSA-N 1 0 324.877 3.097 10 0 DGAERO CCC(CC)(C[NH2+][C@@H](C)c1ccc(F)c(OC)c1)C(=O)OC ZINC000183880543 323348970 /nfs/dbraw/zinc/34/89/70/323348970.db2.gz DQMMSNXHLZCAGZ-LBPRGKRZSA-N 1 0 311.397 3.464 10 0 DGAERO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCCn1ccnn1 ZINC000184264267 323360184 /nfs/dbraw/zinc/36/01/84/323360184.db2.gz OKQGQWJXWPZEMF-OAHLLOKOSA-N 1 0 320.824 3.134 10 0 DGAERO C[C@@H]([NH2+]CCCn1ccnn1)c1nc(-c2ccccc2)cs1 ZINC000184273599 323360806 /nfs/dbraw/zinc/36/08/06/323360806.db2.gz KLVKOMSBCMDQQV-CYBMUJFWSA-N 1 0 313.430 3.143 10 0 DGAERO C[C@@H]([NH2+]CCCn1ccnn1)c1cccc(-c2ccncc2)c1 ZINC000184269734 323360839 /nfs/dbraw/zinc/36/08/39/323360839.db2.gz KERFCMXQPFRFMD-OAHLLOKOSA-N 1 0 307.401 3.081 10 0 DGAERO CC[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1nccs1 ZINC000185045805 323379290 /nfs/dbraw/zinc/37/92/90/323379290.db2.gz HZVVQAPTAFZPLI-LBPRGKRZSA-N 1 0 311.357 3.101 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)[C@H](C)C1CCCCC1 ZINC000185520151 323389682 /nfs/dbraw/zinc/38/96/82/323389682.db2.gz ADVNEVVVOCHYAB-LSDHHAIUSA-N 1 0 313.445 3.389 10 0 DGAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000191985636 323451626 /nfs/dbraw/zinc/45/16/26/323451626.db2.gz MRTVDTBMRNKUDK-UHFFFAOYSA-N 1 0 312.498 3.161 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000193788236 323468740 /nfs/dbraw/zinc/46/87/40/323468740.db2.gz ITQZOWXQQXEIEB-WBVHZDCISA-N 1 0 321.440 3.089 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(CCCOc4ccccc4)n3)cc12 ZINC000351085300 323542021 /nfs/dbraw/zinc/54/20/21/323542021.db2.gz KRHDGYJFOKTFEQ-UHFFFAOYSA-N 1 0 320.352 3.396 10 0 DGAERO Cc1cc(C[NH2+]CC2(F)CC2)ccc1I ZINC000380021749 323611117 /nfs/dbraw/zinc/61/11/17/323611117.db2.gz WUWPXYKEIBLMEI-UHFFFAOYSA-N 1 0 319.161 3.191 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@H](C)O1 ZINC000384964229 323630385 /nfs/dbraw/zinc/63/03/85/323630385.db2.gz XCSAPBBYNJTKDH-ZDMBXUJBSA-N 1 0 302.187 3.244 10 0 DGAERO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(Cl)sc1Cl ZINC000389882821 323664652 /nfs/dbraw/zinc/66/46/52/323664652.db2.gz KOYPEJGUDNDHCV-MRVPVSSYSA-N 1 0 307.246 3.173 10 0 DGAERO CC1(C)CC([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000395298990 323677408 /nfs/dbraw/zinc/67/74/08/323677408.db2.gz PGEJMOIGAHFNAO-UHFFFAOYSA-N 1 0 301.839 3.022 10 0 DGAERO OC[C@H]([NH2+]C1CC(OCc2ccccc2)C1)C1CCCCC1 ZINC000580767333 324036355 /nfs/dbraw/zinc/03/63/55/324036355.db2.gz GVJZXGXRKNPQOW-ACBHZAAOSA-N 1 0 303.446 3.265 10 0 DGAERO OCc1cc2c(cc[nH+]c2-c2ccc(Br)cc2)[nH]1 ZINC000584620113 337371996 /nfs/dbraw/zinc/37/19/96/337371996.db2.gz ORHLPMKERKXSPE-UHFFFAOYSA-N 1 0 303.159 3.485 10 0 DGAERO COC(=O)Cc1ccccc1OCc1cc(Cl)cc(C[NH3+])c1 ZINC000584593965 337373689 /nfs/dbraw/zinc/37/36/89/337373689.db2.gz KPVPLHCPLOYSGM-UHFFFAOYSA-N 1 0 319.788 3.093 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1)c1nccs1 ZINC000434985238 533741968 /nfs/dbraw/zinc/74/19/68/533741968.db2.gz HGXODTLIIVPLDF-NSHDSACASA-N 1 0 302.403 3.362 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CC[C@H]2C)cc(Br)c1O ZINC000310158449 533899207 /nfs/dbraw/zinc/89/92/07/533899207.db2.gz HTMAKPHEKVQDGD-LDYMZIIASA-N 1 0 300.196 3.051 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1Cl)CS(C)(=O)=O ZINC000162331340 534124937 /nfs/dbraw/zinc/12/49/37/534124937.db2.gz OAPXWLODSWKNLV-NXEZZACHSA-N 1 0 324.273 3.325 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2F)cc1F ZINC000176127372 534226353 /nfs/dbraw/zinc/22/63/53/534226353.db2.gz WSUDMTSMZGUIBI-ZFWWWQNUSA-N 1 0 321.367 3.364 10 0 DGAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000328652226 534318426 /nfs/dbraw/zinc/31/84/26/534318426.db2.gz WFWWBXDOBCUMTJ-NBOOPKSLSA-N 1 0 303.450 3.056 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000152315129 534394789 /nfs/dbraw/zinc/39/47/89/534394789.db2.gz WFICQSBEHZFVCR-YGRLFVJLSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)c1ncc(Cl)cc1Br ZINC000159683937 519817780 /nfs/dbraw/zinc/81/77/80/519817780.db2.gz ZRCWJYMARWZGBP-LLVKDONJSA-N 1 0 320.662 3.307 10 0 DGAERO CCN(CC)C(=O)CCC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000156973023 520465244 /nfs/dbraw/zinc/46/52/44/520465244.db2.gz LBFMCLBDTUOXBH-KRWDZBQOSA-N 1 0 318.461 3.447 10 0 DGAERO [NH3+]CCCN(Cc1ccc(-c2cc[nH]n2)o1)c1cccc(F)c1 ZINC000434984383 534607723 /nfs/dbraw/zinc/60/77/23/534607723.db2.gz XFPVSAZUPDBUNN-UHFFFAOYSA-N 1 0 314.364 3.164 10 0 DGAERO CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccnc1N(C)C)CCC2 ZINC000154765163 522476044 /nfs/dbraw/zinc/47/60/44/522476044.db2.gz LTBPINLCSGUWDX-ZDUSSCGKSA-N 1 0 316.474 3.334 10 0 DGAERO COc1cc(F)ccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158804251 522606404 /nfs/dbraw/zinc/60/64/04/522606404.db2.gz JARYKMLPMPAXAV-UHFFFAOYSA-N 1 0 323.412 3.076 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000163382498 523829272 /nfs/dbraw/zinc/82/92/72/523829272.db2.gz OHMUENHMWYYTJB-TZMCWYRMSA-N 1 0 314.832 3.241 10 0 DGAERO COc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1Cl ZINC000156638295 524640063 /nfs/dbraw/zinc/64/00/63/524640063.db2.gz HBNMKFKZJYVWNY-UHFFFAOYSA-N 1 0 302.761 3.204 10 0 DGAERO Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2coc3ccccc23)CCO1 ZINC000328657065 534814311 /nfs/dbraw/zinc/81/43/11/534814311.db2.gz ZYMOJRIMEPIOIB-KDOFPFPSSA-N 1 0 311.385 3.176 10 0 DGAERO C[C@H]1OCC[C@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000149486327 525050178 /nfs/dbraw/zinc/05/01/78/525050178.db2.gz DVQUKNZCCFUDQO-PWVHCVSASA-N 1 0 310.235 3.462 10 0 DGAERO Cc1cc(NCC2CC[NH2+]CC2)nc(-c2ccccc2F)n1 ZINC000070455998 525267408 /nfs/dbraw/zinc/26/74/08/525267408.db2.gz YVZOMKMRZGEYAL-UHFFFAOYSA-N 1 0 300.381 3.003 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(OC(F)(F)F)c1 ZINC000154644791 525386370 /nfs/dbraw/zinc/38/63/70/525386370.db2.gz ZJAPTRUPPHCHEC-AAEUAGOBSA-N 1 0 302.340 3.330 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000158979363 525903857 /nfs/dbraw/zinc/90/38/57/525903857.db2.gz NFKRHNBPVHNPAY-PEBXRYMYSA-N 1 0 317.454 3.326 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000179779011 526409633 /nfs/dbraw/zinc/40/96/33/526409633.db2.gz DJFLVHHGHVDDNM-SFHVURJKSA-N 1 0 318.436 3.139 10 0 DGAERO c1cc2c(c([C@H]3CCCN3CCC[NH+]3CCCC3)c1)OCCO2 ZINC000162910676 526437567 /nfs/dbraw/zinc/43/75/67/526437567.db2.gz QETSXZPWVFCKGV-QGZVFWFLSA-N 1 0 316.445 3.081 10 0 DGAERO Brc1ccc(OCC[NH2+][C@@H]2CCCSC2)cc1 ZINC000167460547 526642952 /nfs/dbraw/zinc/64/29/52/526642952.db2.gz ZAUNDOQOYWKKQH-GFCCVEGCSA-N 1 0 316.264 3.313 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000237843129 527237187 /nfs/dbraw/zinc/23/71/87/527237187.db2.gz QXDWEMGTOCXJOH-IEBWSBKVSA-N 1 0 324.424 3.123 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000415455908 527302866 /nfs/dbraw/zinc/30/28/66/527302866.db2.gz SDTPQIAXBSCJQL-ZYHUDNBSSA-N 1 0 323.824 3.134 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000433007544 527400651 /nfs/dbraw/zinc/40/06/51/527400651.db2.gz VKDRRSRCOCRABS-UEPHZPRCSA-N 1 0 314.429 3.385 10 0 DGAERO C([C@@H]1CCCN(c2nnc(C3CC3)o2)C1)[NH+]1CCCCCC1 ZINC000439171953 527493461 /nfs/dbraw/zinc/49/34/61/527493461.db2.gz WQZUIGJCCDUYKA-AWEZNQCLSA-N 1 0 304.438 3.039 10 0 DGAERO C(c1nc(C2CCCC2)no1)N1CC[NH+](C2CCCCC2)CC1 ZINC000155803491 527495676 /nfs/dbraw/zinc/49/56/76/527495676.db2.gz WZAZSKRDONPDIG-UHFFFAOYSA-N 1 0 318.465 3.178 10 0 DGAERO C(c1nc(C2CCCC2)no1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000154379068 527496327 /nfs/dbraw/zinc/49/63/27/527496327.db2.gz BKLCWKGLBQXHIH-HNNXBMFYSA-N 1 0 318.465 3.035 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000302577296 527590708 /nfs/dbraw/zinc/59/07/08/527590708.db2.gz CZRGMPFCLXCWCV-VXGBXAGGSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)C1(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000175571233 527609502 /nfs/dbraw/zinc/60/95/02/527609502.db2.gz VXZVYGLUHHTNOU-MRXNPFEDSA-N 1 0 303.450 3.025 10 0 DGAERO CC1(C)[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)C[C@@H]21 ZINC000443624602 527850129 /nfs/dbraw/zinc/85/01/29/527850129.db2.gz IJNLDJKPGSHQOI-YUELXQCFSA-N 1 0 313.363 3.197 10 0 DGAERO CC1(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000175079600 527971391 /nfs/dbraw/zinc/97/13/91/527971391.db2.gz ZGBYLQOBSQFNEI-KRWDZBQOSA-N 1 0 300.446 3.205 10 0 DGAERO CC1CCC(C[NH2+]CCCn2cc(Br)cn2)CC1 ZINC000310948674 528183905 /nfs/dbraw/zinc/18/39/05/528183905.db2.gz YKIKTMHCOMERBU-UHFFFAOYSA-N 1 0 314.271 3.452 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2sccc2C)CC1 ZINC000164174608 528187236 /nfs/dbraw/zinc/18/72/36/528187236.db2.gz SOKRUNGNHPFGJT-CVEARBPZSA-N 1 0 320.502 3.398 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000174639474 528254237 /nfs/dbraw/zinc/25/42/37/528254237.db2.gz OQLZTWGDCYFTFV-GFCCVEGCSA-N 1 0 310.467 3.215 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc([C@H](C)OC)c2)C1 ZINC000175962350 528286375 /nfs/dbraw/zinc/28/63/75/528286375.db2.gz WOBCRPYJAWNJNA-YOEHRIQHSA-N 1 0 319.449 3.342 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCC[C@H](C)CC2)CC1 ZINC000443170272 528965333 /nfs/dbraw/zinc/96/53/33/528965333.db2.gz SQPDKKDJAWGYOB-RDJZCZTQSA-N 1 0 309.498 3.376 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000177694548 529067123 /nfs/dbraw/zinc/06/71/23/529067123.db2.gz KEQMHDIVPPFERG-NWDGAFQWSA-N 1 0 314.882 3.448 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CSCc2ccccc2)C1 ZINC000161726909 529090684 /nfs/dbraw/zinc/09/06/84/529090684.db2.gz CLYVVESJMHAGNC-RDJZCZTQSA-N 1 0 320.502 3.156 10 0 DGAERO CC[C@H]1CCC[N@H+](Cc2nc3oc(C)c(C)c3c(N)n2)CC1 ZINC000153960982 529217628 /nfs/dbraw/zinc/21/76/28/529217628.db2.gz KIAKBOIFEGFGFK-ZDUSSCGKSA-N 1 0 302.422 3.434 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C2(C)CCOCC2)cc1 ZINC000462806856 534953811 /nfs/dbraw/zinc/95/38/11/534953811.db2.gz YHHJJVDXSYSYCU-UHFFFAOYSA-N 1 0 305.418 3.301 10 0 DGAERO CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CCC23CCC3)cc1 ZINC000471026554 535115510 /nfs/dbraw/zinc/11/55/10/535115510.db2.gz YXHHVKKNHYVVKH-UHFFFAOYSA-N 1 0 314.473 3.271 10 0 DGAERO CC(C)(C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)C1(O)CCCC1 ZINC000449739769 535146358 /nfs/dbraw/zinc/14/63/58/535146358.db2.gz MDGKGCGIPSYMBT-UHFFFAOYSA-N 1 0 303.406 3.091 10 0 DGAERO CC1CC(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000475928699 535255158 /nfs/dbraw/zinc/25/51/58/535255158.db2.gz XBKMIXPCAIMULF-AQFXKWCLSA-N 1 0 307.482 3.083 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000487739227 535364586 /nfs/dbraw/zinc/36/45/86/535364586.db2.gz MJDNWEWKXQJOBK-INIZCTEOSA-N 1 0 306.425 3.094 10 0 DGAERO CCOc1ccc([C@@H](C)[NH2+]CCc2cccc(OC)n2)cc1 ZINC000484296566 535412184 /nfs/dbraw/zinc/41/21/84/535412184.db2.gz QTWAHNPONUOOBM-CQSZACIVSA-N 1 0 300.402 3.382 10 0 DGAERO C[NH+](C)CCCCNC(=O)C(C)(C)CCCc1ccccc1 ZINC000494715301 535828382 /nfs/dbraw/zinc/82/83/82/535828382.db2.gz NQBKLXOQXMHJBI-UHFFFAOYSA-N 1 0 304.478 3.494 10 0 DGAERO CN(C)C1(C[NH2+]C2CC(OCc3ccccc3)C2)CCCC1 ZINC000493881099 536113382 /nfs/dbraw/zinc/11/33/82/536113382.db2.gz CKXWUBFOQNYVGZ-UHFFFAOYSA-N 1 0 302.462 3.198 10 0 DGAERO COc1nccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)n1 ZINC000449298860 537144660 /nfs/dbraw/zinc/14/46/60/537144660.db2.gz JOBPXBOYHRWOND-NNUKFRKNSA-N 1 0 303.793 3.174 10 0 DGAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000079519522 545757946 /nfs/dbraw/zinc/75/79/46/545757946.db2.gz REGDKTPRUIVTDO-YMTOWFKASA-N 1 0 301.217 3.313 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089448913 545813856 /nfs/dbraw/zinc/81/38/56/545813856.db2.gz DQVSHIPLWBNFJF-CMPLNLGQSA-N 1 0 311.223 3.071 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455345 545814721 /nfs/dbraw/zinc/81/47/21/545814721.db2.gz MRCFNDNQZBTCKC-JQWIXIFHSA-N 1 0 300.855 3.125 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000089453937 545815061 /nfs/dbraw/zinc/81/50/61/545815061.db2.gz GCOCPXFCVUDAME-AAEUAGOBSA-N 1 0 310.825 3.441 10 0 DGAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089456461 545815236 /nfs/dbraw/zinc/81/52/36/545815236.db2.gz BMEWECIVIIMSBJ-ZBFHGGJFSA-N 1 0 308.853 3.452 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000089449903 545815249 /nfs/dbraw/zinc/81/52/49/545815249.db2.gz LXJRVINRINMVHP-DGCLKSJQSA-N 1 0 315.244 3.027 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]C[C@@H]3CCc4ccccc4C3)cc2)n1 ZINC000117388767 545874833 /nfs/dbraw/zinc/87/48/33/545874833.db2.gz IEEBJQDDXKMPAH-QGZVFWFLSA-N 1 0 318.424 3.162 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000136433173 545981791 /nfs/dbraw/zinc/98/17/91/545981791.db2.gz LVHCVHISFMDXRS-SNVBAGLBSA-N 1 0 306.740 3.253 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000164024254 546086385 /nfs/dbraw/zinc/08/63/85/546086385.db2.gz FHGNQMGHISQGDN-UONOGXRCSA-N 1 0 312.251 3.433 10 0 DGAERO CCC1(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCC1 ZINC000175876191 546114175 /nfs/dbraw/zinc/11/41/75/546114175.db2.gz RMTTZYJKYOPMAJ-HNNXBMFYSA-N 1 0 319.449 3.439 10 0 DGAERO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178701149 546130722 /nfs/dbraw/zinc/13/07/22/546130722.db2.gz FYTBDSALNADHEM-BEFAXECRSA-N 1 0 311.429 3.065 10 0 DGAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000179789204 546139192 /nfs/dbraw/zinc/13/91/92/546139192.db2.gz YZDCLLACQLRDJA-QGZVFWFLSA-N 1 0 301.409 3.329 10 0 DGAERO O[C@@H](CN[C@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044700 546141261 /nfs/dbraw/zinc/14/12/61/546141261.db2.gz DKHHZRMFOCPZOX-ROUUACIJSA-N 1 0 322.880 3.228 10 0 DGAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000180035584 546141764 /nfs/dbraw/zinc/14/17/64/546141764.db2.gz ZVALXTHGZGYPGS-INIZCTEOSA-N 1 0 313.401 3.048 10 0 DGAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2CC)C12CCCC2 ZINC000180403829 546144937 /nfs/dbraw/zinc/14/49/37/546144937.db2.gz NNYPVYAGHFKZSH-SJORKVTESA-N 1 0 305.466 3.152 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000181032649 546150945 /nfs/dbraw/zinc/15/09/45/546150945.db2.gz KIEQDLYBUDJIAV-MZPVMMEZSA-N 1 0 318.852 3.468 10 0 DGAERO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000181152414 546154402 /nfs/dbraw/zinc/15/44/02/546154402.db2.gz AHGOCDXXLSVWLI-HIFRSBDPSA-N 1 0 309.369 3.437 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccs2)cc1F ZINC000181355716 546155993 /nfs/dbraw/zinc/15/59/93/546155993.db2.gz XMYWLGNBCOEOGL-LBPRGKRZSA-N 1 0 306.406 3.163 10 0 DGAERO CCOCC[N@@H+]1CCN(CCCc2ccccc2Cl)C[C@@H]1C ZINC000181818070 546160514 /nfs/dbraw/zinc/16/05/14/546160514.db2.gz HTUGELBGIVRBCO-INIZCTEOSA-N 1 0 324.896 3.315 10 0 DGAERO C[NH+](C)C1CCN(C(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000182987678 546171052 /nfs/dbraw/zinc/17/10/52/546171052.db2.gz CVOTYOMFHKQMDF-UHFFFAOYSA-N 1 0 320.399 3.298 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[NH2+][C@H](C)[C@@H]2CCCO2)c(C)c1 ZINC000183145595 546171927 /nfs/dbraw/zinc/17/19/27/546171927.db2.gz CQEHQXPBTFUHCX-SJORKVTESA-N 1 0 318.461 3.488 10 0 DGAERO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000183134658 546172256 /nfs/dbraw/zinc/17/22/56/546172256.db2.gz BUJGJMDEFXCDHB-VBQJREDUSA-N 1 0 304.434 3.296 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc4cnccc43)[C@@H]2C1 ZINC000183423548 546174888 /nfs/dbraw/zinc/17/48/88/546174888.db2.gz ZOAPWVYXUPALAW-BHIYHBOVSA-N 1 0 312.413 3.003 10 0 DGAERO [NH3+]CC1(CC(=O)NC[C@@H]2C[C@H]2c2ccccc2)CCCCC1 ZINC000184192426 546181288 /nfs/dbraw/zinc/18/12/88/546181288.db2.gz YJWFHONWIZNTIA-IRXDYDNUSA-N 1 0 300.446 3.206 10 0 DGAERO [NH3+]CC1(CC(=O)NC[C@H]2C[C@@H]2c2ccccc2)CCCCC1 ZINC000184192405 546181325 /nfs/dbraw/zinc/18/13/25/546181325.db2.gz YJWFHONWIZNTIA-IAGOWNOFSA-N 1 0 300.446 3.206 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185871524 546190959 /nfs/dbraw/zinc/19/09/59/546190959.db2.gz DHHDMZODMSZRJC-SUMWQHHRSA-N 1 0 316.832 3.396 10 0 DGAERO CN(C)[C@H](C[NH2+][C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1 ZINC000186569802 546195368 /nfs/dbraw/zinc/19/53/68/546195368.db2.gz FCPSXBCTRAZSPI-HUUCEWRRSA-N 1 0 316.367 3.077 10 0 DGAERO CC(=O)c1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1C ZINC000194393210 546248204 /nfs/dbraw/zinc/24/82/04/546248204.db2.gz NNFMUQXYHYVXRY-UHFFFAOYSA-N 1 0 316.445 3.048 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000225262765 546267295 /nfs/dbraw/zinc/26/72/95/546267295.db2.gz PMEOGXBQZNFOJZ-VXGBXAGGSA-N 1 0 318.642 3.496 10 0 DGAERO CC(C)=CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000229114264 546270784 /nfs/dbraw/zinc/27/07/84/546270784.db2.gz FUMFDKZOXYMFEU-LLVKDONJSA-N 1 0 304.217 3.289 10 0 DGAERO CC[C@@H]1CN(c2ncc(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000233940674 546278401 /nfs/dbraw/zinc/27/84/01/546278401.db2.gz CBMFLBZJCLUVCQ-KCJUWKMLSA-N 1 0 318.646 3.061 10 0 DGAERO Cc1ccnc(NCc2ccc3c(c2)C[NH2+]C3)c1Br ZINC000236001367 546279278 /nfs/dbraw/zinc/27/92/78/546279278.db2.gz VDIYORZGMCTFDJ-UHFFFAOYSA-N 1 0 318.218 3.368 10 0 DGAERO COc1ccc([C@H](C)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000245950714 546301242 /nfs/dbraw/zinc/30/12/42/546301242.db2.gz WXCQFXYWTPRILB-AYBZRNKSSA-N 1 0 303.446 3.426 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245944419 546301292 /nfs/dbraw/zinc/30/12/92/546301292.db2.gz KIEQDLYBUDJIAV-GOPGUHFVSA-N 1 0 318.852 3.468 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000246969033 546307568 /nfs/dbraw/zinc/30/75/68/546307568.db2.gz JHVRNMIICKLCDM-BBRMVZONSA-N 1 0 324.465 3.063 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000261742931 546338438 /nfs/dbraw/zinc/33/84/38/546338438.db2.gz LYNWIMZPAUORLU-VXGBXAGGSA-N 1 0 307.463 3.116 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300413947 546435687 /nfs/dbraw/zinc/43/56/87/546435687.db2.gz FXXQDGIVHIZHBA-RWSFTLGLSA-N 1 0 310.235 3.330 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NCc2cscc2Br)C1 ZINC000304610420 546440898 /nfs/dbraw/zinc/44/08/98/546440898.db2.gz ROPJTAZIHGMMMX-LLVKDONJSA-N 1 0 303.269 3.085 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000306024663 546449047 /nfs/dbraw/zinc/44/90/47/546449047.db2.gz MMTAHGXZNHOOBH-GUTXKFCHSA-N 1 0 310.235 3.330 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)C(C)(C)O ZINC000309120057 546449791 /nfs/dbraw/zinc/44/97/91/546449791.db2.gz NGLMTBHOVCNTFU-ZCFIWIBFSA-N 1 0 312.660 3.413 10 0 DGAERO Clc1ccc(Br)c(CC[NH2+]C2CSC2)c1 ZINC000308855908 546450238 /nfs/dbraw/zinc/45/02/38/546450238.db2.gz OIZGQFWCYNSXMP-UHFFFAOYSA-N 1 0 306.656 3.350 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)C(C)(C)O ZINC000309769898 546451207 /nfs/dbraw/zinc/45/12/07/546451207.db2.gz KFMGWFZAYNSCPZ-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO Cc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c(C)c1 ZINC000329642928 546489816 /nfs/dbraw/zinc/48/98/16/546489816.db2.gz AGJAIMSYDQIIJR-YJBOKZPZSA-N 1 0 313.401 3.279 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000333791385 546512076 /nfs/dbraw/zinc/51/20/76/546512076.db2.gz MLVXPSXNLATRFO-YUDUHTQSSA-N 1 0 321.852 3.107 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)CCN1Cc1ccccc1 ZINC000379656824 546735506 /nfs/dbraw/zinc/73/55/06/546735506.db2.gz QPXQOSUUPRUHHR-NZSAHSFTSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccsc2Br)CCO1 ZINC000390428046 546753806 /nfs/dbraw/zinc/75/38/06/546753806.db2.gz NMWZXWWGOSIHFV-ZJUUUORDSA-N 1 0 304.253 3.415 10 0 DGAERO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCOCc1ccccc1 ZINC000390777977 546755569 /nfs/dbraw/zinc/75/55/69/546755569.db2.gz OTCRVOMJILFPCJ-CEXWTWQISA-N 1 0 303.446 3.219 10 0 DGAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](COCc3ccccc3)C2)C1 ZINC000393906758 546760412 /nfs/dbraw/zinc/76/04/12/546760412.db2.gz NKBVNOTVADUHGB-CEXWTWQISA-N 1 0 303.446 3.076 10 0 DGAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000393906762 546760442 /nfs/dbraw/zinc/76/04/42/546760442.db2.gz NKBVNOTVADUHGB-IPMKNSEASA-N 1 0 303.446 3.076 10 0 DGAERO C[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCC[C@@H](O)C1 ZINC000394113186 546760493 /nfs/dbraw/zinc/76/04/93/546760493.db2.gz NEGSNASOENJSDB-UKRRQHHQSA-N 1 0 312.251 3.432 10 0 DGAERO COC[C@H](CCO)[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000484136924 546913323 /nfs/dbraw/zinc/91/33/23/546913323.db2.gz RJGQKHOJKLDQKU-RBUKOAKNSA-N 1 0 305.462 3.165 10 0 DGAERO [NH3+]CCC1(Cl)CN(C(c2ccccc2)c2ccccc2)C1 ZINC000675058160 548148673 /nfs/dbraw/zinc/14/86/73/548148673.db2.gz VCQDYTYYNSIHTA-UHFFFAOYSA-N 1 0 300.833 3.418 10 0 DGAERO Cc1ccccc1[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055493 548148742 /nfs/dbraw/zinc/14/87/42/548148742.db2.gz UGEMAKQNNWEWGU-KBXCAEBGSA-N 1 0 304.434 3.487 10 0 DGAERO Cc1cccc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1F ZINC000675055366 548148825 /nfs/dbraw/zinc/14/88/25/548148825.db2.gz ROONSBRGLIPHRP-OCCSQVGLSA-N 1 0 308.397 3.452 10 0 DGAERO CC[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2ccsc21 ZINC000725242812 549811155 /nfs/dbraw/zinc/81/11/55/549811155.db2.gz UXMDWAPALWFFNI-WBMJQRKESA-N 1 0 310.463 3.412 10 0 DGAERO CC[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000725242811 549811405 /nfs/dbraw/zinc/81/14/05/549811405.db2.gz UXMDWAPALWFFNI-MLGOLLRUSA-N 1 0 310.463 3.412 10 0 DGAERO CC(C)(C)OC(=O)C[C@H](C[NH3+])c1ccc(Br)s1 ZINC000725263491 549811926 /nfs/dbraw/zinc/81/19/26/549811926.db2.gz JWYMBLOYXAVYKG-MRVPVSSYSA-N 1 0 320.252 3.285 10 0 DGAERO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712513953 563318795 /nfs/dbraw/zinc/31/87/95/563318795.db2.gz AUOHRYXTKJEIKV-SJKOYZFVSA-N 1 0 322.474 3.366 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]2(C1)[NH2+]CCc1ccoc12 ZINC000724110088 563496134 /nfs/dbraw/zinc/49/61/34/563496134.db2.gz JNOGVZXADNHJQZ-FZKQIMNGSA-N 1 0 320.433 3.336 10 0 DGAERO C[NH2+]CC[C@H](CNC(=O)OC(C)(C)C)c1c[nH]c2ccccc21 ZINC000725269363 563574635 /nfs/dbraw/zinc/57/46/35/563574635.db2.gz SNRKYBMCPQCBPG-CYBMUJFWSA-N 1 0 317.433 3.386 10 0 DGAERO CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677418 574556521 /nfs/dbraw/zinc/55/65/21/574556521.db2.gz PKDCJHRYMUETLZ-MRXNPFEDSA-N 1 0 302.462 3.222 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2cccc(F)c2F)C1 ZINC000675052770 563855958 /nfs/dbraw/zinc/85/59/58/563855958.db2.gz DYZOUXSBCBDDPV-GWCFXTLKSA-N 1 0 312.360 3.283 10 0 DGAERO C/C(=C\C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1cccc(F)c1 ZINC000732064245 574565750 /nfs/dbraw/zinc/56/57/50/574565750.db2.gz DFICWQSENTWQDT-AAWPKVBNSA-N 1 0 304.409 3.076 10 0 DGAERO C/C(=C\C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1cccc(F)c1 ZINC000732306494 574571384 /nfs/dbraw/zinc/57/13/84/574571384.db2.gz XTPSZZQPUKTUIE-SHRNQRGKSA-N 1 0 306.425 3.322 10 0 DGAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000733162996 574599986 /nfs/dbraw/zinc/59/99/86/574599986.db2.gz AGOZADHARXQWIE-OAHLLOKOSA-N 1 0 307.825 3.137 10 0 DGAERO CC(C)c1cnc(CN2CCC(C(=O)N3CCCCC3)CC2)o1 ZINC000733309062 574614500 /nfs/dbraw/zinc/61/45/00/574614500.db2.gz YYDDIEIBOKBCES-UHFFFAOYSA-N 1 0 319.449 3.023 10 0 DGAERO Brc1cnn(CN2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000733991099 574646984 /nfs/dbraw/zinc/64/69/84/574646984.db2.gz BDBBSWSQRNFKHE-AWEZNQCLSA-N 1 0 310.239 3.425 10 0 DGAERO CCCCOC(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000741787590 574648331 /nfs/dbraw/zinc/64/83/31/574648331.db2.gz HHGNTMHKDUGVDA-ROUUACIJSA-N 1 0 324.509 3.306 10 0 DGAERO C/C(=C\C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000734447925 574661484 /nfs/dbraw/zinc/66/14/84/574661484.db2.gz ZPHPYNANWQAIEE-YVGNARHYSA-N 1 0 304.409 3.029 10 0 DGAERO O=C(NCCNc1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000735827499 574716847 /nfs/dbraw/zinc/71/68/47/574716847.db2.gz MFUXPIBZOIJOJN-UHFFFAOYSA-N 1 0 323.440 3.124 10 0 DGAERO CC[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C)[NH+](CC)CC ZINC000736007413 574726762 /nfs/dbraw/zinc/72/67/62/574726762.db2.gz VCHKTHPYPSLADN-INIZCTEOSA-N 1 0 303.450 3.128 10 0 DGAERO CC[C@H](C(=O)Nc1ccc2c(c1)CCCN2C)[NH+](CC)CC ZINC000736007417 574726804 /nfs/dbraw/zinc/72/68/04/574726804.db2.gz VCHKTHPYPSLADN-MRXNPFEDSA-N 1 0 303.450 3.128 10 0 DGAERO CC[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000738311717 574865708 /nfs/dbraw/zinc/86/57/08/574865708.db2.gz JKMQBNBQTBHHAK-QZTJIDSGSA-N 1 0 322.468 3.301 10 0 DGAERO C[C@@H](CNC(=O)N1CC2(CC2)c2ccccc21)[NH+]1CCCCC1 ZINC000740472994 574933962 /nfs/dbraw/zinc/93/39/62/574933962.db2.gz GLQDNDGDUPIYBG-HNNXBMFYSA-N 1 0 313.445 3.122 10 0 DGAERO C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740882336 574944810 /nfs/dbraw/zinc/94/48/10/574944810.db2.gz LXDPIIYJFMQAAJ-WBVHZDCISA-N 1 0 318.461 3.464 10 0 DGAERO Cc1ncsc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000742368535 574993067 /nfs/dbraw/zinc/99/30/67/574993067.db2.gz CGXOLSXJTQSUBX-GFCCVEGCSA-N 1 0 315.442 3.429 10 0 DGAERO C/C(=C/C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C(C)(C)C ZINC000742567745 575006430 /nfs/dbraw/zinc/00/64/30/575006430.db2.gz TZAUWOSSWMGTRA-KSVUCXBSSA-N 1 0 302.462 3.268 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1cc(C)sc1C ZINC000049132311 575235854 /nfs/dbraw/zinc/23/58/54/575235854.db2.gz APUVPIGGKIURIW-DGCLKSJQSA-N 1 0 311.495 3.455 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)C(C)(C)O ZINC000393961383 575936106 /nfs/dbraw/zinc/93/61/06/575936106.db2.gz FTLLYAYHUWLOJU-YGRLFVJLSA-N 1 0 312.251 3.055 10 0 DGAERO C[C@H]1SCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398155220 575960709 /nfs/dbraw/zinc/96/07/09/575960709.db2.gz ZQPOPKGGIQHJCC-LMSBXDPUSA-N 1 0 304.503 3.381 10 0 DGAERO Cc1cc(C[C@H]([NH3+])CCNC(=O)OC(C)(C)C)ccc1Cl ZINC000757156399 617659563 /nfs/dbraw/zinc/65/95/63/617659563.db2.gz IOJPLKUXKOLYGZ-CYBMUJFWSA-N 1 0 312.841 3.433 10 0 DGAERO C[C@H](O)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135502600 617981191 /nfs/dbraw/zinc/98/11/91/617981191.db2.gz SPEGOHUYRUSNSK-ZUZCIYMTSA-N 1 0 318.244 3.120 10 0 DGAERO Oc1cccc2sc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)cc21 ZINC000894004537 618692830 /nfs/dbraw/zinc/69/28/30/618692830.db2.gz SXCZNTSPIAWLJU-GFCCVEGCSA-N 1 0 314.414 3.036 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccnc(Cl)c1 ZINC000151739884 620472311 /nfs/dbraw/zinc/47/23/11/620472311.db2.gz GLAZNQPYVMMFAG-LQYUOIDQSA-N 1 0 321.852 3.129 10 0 DGAERO Cc1cc2ncn(C[NH+]3CCC(c4ccnn4C)CC3)c2cc1C ZINC000152206632 620497419 /nfs/dbraw/zinc/49/74/19/620497419.db2.gz DOQXXHYNFQTCNE-UHFFFAOYSA-N 1 0 323.444 3.224 10 0 DGAERO CSc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000117099720 621351439 /nfs/dbraw/zinc/35/14/39/621351439.db2.gz MFDJMFBQEFPRNR-AWEZNQCLSA-N 1 0 317.410 3.433 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cc(Cl)ccc1F ZINC000119071553 621613432 /nfs/dbraw/zinc/61/34/32/621613432.db2.gz HRUDOTGICUTCOB-UHFFFAOYSA-N 1 0 316.804 3.484 10 0 DGAERO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)C[C@](C)(O)c1ccccc1 ZINC000119300419 621643106 /nfs/dbraw/zinc/64/31/06/621643106.db2.gz GIRFPKQEXGBBIB-UXHICEINSA-N 1 0 313.441 3.258 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127426964 624392818 /nfs/dbraw/zinc/39/28/18/624392818.db2.gz ABJUOVTZYOVDJB-QWHCGFSZSA-N 1 0 302.187 3.245 10 0 DGAERO COCCC[N@H+](CCOC)Cc1cc(Cl)nc2ccccc12 ZINC000128341053 624906430 /nfs/dbraw/zinc/90/64/30/624906430.db2.gz WHOHVHGHRBZABC-UHFFFAOYSA-N 1 0 322.836 3.373 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128469089 624968045 /nfs/dbraw/zinc/96/80/45/624968045.db2.gz CFGOMNJRLHLLAR-LBPRGKRZSA-N 1 0 318.804 3.273 10 0 DGAERO CC(C)(C)OC(=O)N(C[C@@H]1CCCS1)c1ccc(C[NH3+])nc1 ZINC000757134222 626751090 /nfs/dbraw/zinc/75/10/90/626751090.db2.gz LXWFTZXBHCMBOR-AWEZNQCLSA-N 1 0 323.462 3.177 10 0 DGAERO Cc1cc(C[C@H]([NH3+])CN(C)C(=O)OC(C)(C)C)ccc1Cl ZINC000757155977 626751679 /nfs/dbraw/zinc/75/16/79/626751679.db2.gz GJVJBCHTPZVBIJ-ZDUSSCGKSA-N 1 0 312.841 3.385 10 0 DGAERO C[NH+](C)CCCC1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000133365522 626783795 /nfs/dbraw/zinc/78/37/95/626783795.db2.gz NCCQQQSYVCOYKJ-UHFFFAOYSA-N 1 0 300.512 3.099 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)CSC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000134896538 626891157 /nfs/dbraw/zinc/89/11/57/626891157.db2.gz HWJOIOHVQZKOOE-GOEBONIOSA-N 1 0 320.502 3.297 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000219013450 627134697 /nfs/dbraw/zinc/13/46/97/627134697.db2.gz HCBQXQGZPLFMRL-ZWNOBZJWSA-N 1 0 305.390 3.376 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000220947345 627212144 /nfs/dbraw/zinc/21/21/44/627212144.db2.gz OKNNUOPQDVIJHI-BFHYXJOUSA-N 1 0 323.437 3.327 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000300395910 627266180 /nfs/dbraw/zinc/26/61/80/627266180.db2.gz OKNNUOPQDVIJHI-MELADBBJSA-N 1 0 323.437 3.327 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000300915205 627284633 /nfs/dbraw/zinc/28/46/33/627284633.db2.gz DLLINDYXPLKFJN-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCc2cccs2)CC1 ZINC000101549311 629732917 /nfs/dbraw/zinc/73/29/17/629732917.db2.gz FJRRATFNDJIPIF-CQSZACIVSA-N 1 0 308.491 3.163 10 0 DGAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000109520279 632222036 /nfs/dbraw/zinc/22/20/36/632222036.db2.gz GPTOBJBENPKQKA-LBPRGKRZSA-N 1 0 314.216 3.493 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](C2OCCO2)C1 ZINC000185292279 660214423 /nfs/dbraw/zinc/21/44/23/660214423.db2.gz OOVILTYLQFPHHQ-OAHLLOKOSA-N 1 0 312.413 3.441 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186380867 660379083 /nfs/dbraw/zinc/37/90/83/660379083.db2.gz RHXPTNLIXUNJCR-QGZVFWFLSA-N 1 0 320.477 3.398 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1F ZINC000227756229 660388086 /nfs/dbraw/zinc/38/80/86/660388086.db2.gz LSJYDOUHRAQWBI-SNAWJCMRSA-N 1 0 312.360 3.135 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@H](O)C(F)F)c(C)c1Br ZINC000719609689 662294593 /nfs/dbraw/zinc/29/45/93/662294593.db2.gz RJZBTVGTMVCGJO-NSHDSACASA-N 1 0 322.193 3.172 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C)([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000700106855 660612397 /nfs/dbraw/zinc/61/23/97/660612397.db2.gz ODXXLFVQADNRCU-QDMKHBRRSA-N 1 0 308.466 3.412 10 0 DGAERO CCC(F)(F)C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000700202863 660615826 /nfs/dbraw/zinc/61/58/26/660615826.db2.gz KCFAJRLEUAHGSA-RYUDHWBXSA-N 1 0 306.397 3.457 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000700760683 660636105 /nfs/dbraw/zinc/63/61/05/660636105.db2.gz DISCZLRLOCUCFE-RDBSUJKOSA-N 1 0 314.470 3.178 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000700760676 660636188 /nfs/dbraw/zinc/63/61/88/660636188.db2.gz DISCZLRLOCUCFE-HZSPNIEDSA-N 1 0 314.470 3.178 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000701732885 660682015 /nfs/dbraw/zinc/68/20/15/660682015.db2.gz HVZGVABFMBCJMV-ZOWXZIJZSA-N 1 0 318.408 3.315 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000701732879 660682054 /nfs/dbraw/zinc/68/20/54/660682054.db2.gz HVZGVABFMBCJMV-YWPYICTPSA-N 1 0 318.408 3.315 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC[C@H]2CC2(F)F)C1 ZINC000701934630 660693149 /nfs/dbraw/zinc/69/31/49/660693149.db2.gz IIYBNSBITOKBRL-OLZOCXBDSA-N 1 0 318.408 3.268 10 0 DGAERO Cc1csc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000701955310 660693651 /nfs/dbraw/zinc/69/36/51/660693651.db2.gz ANJWAZUTMUCSFD-ZYHUDNBSSA-N 1 0 313.467 3.405 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000701957213 660693843 /nfs/dbraw/zinc/69/38/43/660693843.db2.gz ZJHRLGTXKXHQDS-AVGNSLFASA-N 1 0 318.408 3.409 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000701986949 660696601 /nfs/dbraw/zinc/69/66/01/660696601.db2.gz OXHUHBJMKPSIQQ-NWDGAFQWSA-N 1 0 302.484 3.163 10 0 DGAERO CC1(O)CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000702970522 660752155 /nfs/dbraw/zinc/75/21/55/660752155.db2.gz BTAWUTPDHLEMPM-UHFFFAOYSA-N 1 0 312.251 3.275 10 0 DGAERO COC1CC(C[NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000703854497 660794153 /nfs/dbraw/zinc/79/41/53/660794153.db2.gz OHWWISCOKGVLSK-ACBHZAAOSA-N 1 0 304.478 3.158 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@@H](C)CCCOC)CCN1C(=O)OC(C)(C)C ZINC000704628864 660813943 /nfs/dbraw/zinc/81/39/43/660813943.db2.gz IQOYAYCNMLXWTR-SOUVJXGZSA-N 1 0 314.470 3.179 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]CC[C@H]1CCSC1 ZINC000704840949 660822618 /nfs/dbraw/zinc/82/26/18/660822618.db2.gz MHHLDTJWRDAKCR-INIZCTEOSA-N 1 0 301.459 3.164 10 0 DGAERO CC(C)[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000705320947 660837428 /nfs/dbraw/zinc/83/74/28/660837428.db2.gz XCZZEQZUVLTSFH-DBQDNQAGSA-N 1 0 308.466 3.410 10 0 DGAERO CO[C@@](C)(C[NH2+]CCc1ccccc1)COCc1ccccc1 ZINC000705763619 660838820 /nfs/dbraw/zinc/83/88/20/660838820.db2.gz BMBGJOFWCPAVNP-FQEVSTJZSA-N 1 0 313.441 3.441 10 0 DGAERO Brc1ccc2oc(N[C@H]3CC[N@@H+](C4CC4)C3)nc2c1 ZINC000705911714 660841065 /nfs/dbraw/zinc/84/10/65/660841065.db2.gz UYEHAHDFJNCQOK-JTQLQIEISA-N 1 0 322.206 3.239 10 0 DGAERO CSC1CC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)C1 ZINC000706931839 660881797 /nfs/dbraw/zinc/88/17/97/660881797.db2.gz USHNFKPGJJUVKL-BLYZHGLHSA-N 1 0 314.495 3.116 10 0 DGAERO CSC1CC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C1 ZINC000706931838 660881857 /nfs/dbraw/zinc/88/18/57/660881857.db2.gz USHNFKPGJJUVKL-ABXWRUBCSA-N 1 0 314.495 3.116 10 0 DGAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccncc1Cl ZINC000707726534 660916726 /nfs/dbraw/zinc/91/67/26/660916726.db2.gz FTODPTCNLOFANF-UHFFFAOYSA-N 1 0 313.829 3.128 10 0 DGAERO Cc1conc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000708293411 660919868 /nfs/dbraw/zinc/91/98/68/660919868.db2.gz STZRDGOLMAHYQY-UONOGXRCSA-N 1 0 323.437 3.108 10 0 DGAERO CSC1CC([NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000708289421 660919925 /nfs/dbraw/zinc/91/99/25/660919925.db2.gz QTOCDEPSZXXXAN-MRFVTOPCSA-N 1 0 314.495 3.116 10 0 DGAERO Cc1nc(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C)[nH]c1C ZINC000708960994 660923359 /nfs/dbraw/zinc/92/33/59/660923359.db2.gz KDMCQCVSOZSBJU-QGZVFWFLSA-N 1 0 324.469 3.056 10 0 DGAERO c1ccc(C[N@H+]2CCCCC[C@H](NCc3cnccn3)C2)cc1 ZINC000709646754 660925287 /nfs/dbraw/zinc/92/52/87/660925287.db2.gz SMXAZQZBVVRUPX-SFHVURJKSA-N 1 0 310.445 3.011 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)C1 ZINC000709485733 660928408 /nfs/dbraw/zinc/92/84/08/660928408.db2.gz WZCSVHUFAUZQEE-LSDHHAIUSA-N 1 0 324.465 3.077 10 0 DGAERO CN(CCCCCC[NH3+])C(=O)c1cc(F)c(F)cc1Cl ZINC000710728669 660934210 /nfs/dbraw/zinc/93/42/10/660934210.db2.gz AIYNYWDATKUSRB-UHFFFAOYSA-N 1 0 304.768 3.209 10 0 DGAERO CC[C@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)CC(F)(F)F ZINC000710915381 660936859 /nfs/dbraw/zinc/93/68/59/660936859.db2.gz HRBBYIZQQYFDFW-NSHDSACASA-N 1 0 324.387 3.422 10 0 DGAERO CC[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000711000720 660939235 /nfs/dbraw/zinc/93/92/35/660939235.db2.gz PFTMGIGTBOCFJC-VCTAVGKDSA-N 1 0 310.235 3.451 10 0 DGAERO COc1cccc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000711459181 660954052 /nfs/dbraw/zinc/95/40/52/660954052.db2.gz NQCISJYEHWGUPY-UHFFFAOYSA-N 1 0 320.433 3.088 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711371795 660948840 /nfs/dbraw/zinc/94/88/40/660948840.db2.gz XDRUQTUDQLDLMZ-NSHDSACASA-N 1 0 315.244 3.197 10 0 DGAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC000711439491 660952280 /nfs/dbraw/zinc/95/22/80/660952280.db2.gz PXSDGPZLSYHTKK-UNXYVOJBSA-N 1 0 311.451 3.097 10 0 DGAERO COC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000711834240 660963645 /nfs/dbraw/zinc/96/36/45/660963645.db2.gz VKBJJSPYQSOXIT-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO Brc1cncc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)c1 ZINC000711500957 660955471 /nfs/dbraw/zinc/95/54/71/660955471.db2.gz AXGVLFZBMIPRHF-ZDUSSCGKSA-N 1 0 311.223 3.035 10 0 DGAERO Brc1ccc(C[NH2+]C[C@H]2CCC3(CCC3)O2)nc1 ZINC000711504346 660955598 /nfs/dbraw/zinc/95/55/98/660955598.db2.gz SHLSWDKEJSJYSC-CYBMUJFWSA-N 1 0 311.223 3.035 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3ccco3)CCC[C@@H]12 ZINC000711626034 660959933 /nfs/dbraw/zinc/95/99/33/660959933.db2.gz RWJDJTXYCTYSEN-RHSMWYFYSA-N 1 0 306.406 3.301 10 0 DGAERO CSCC1CCC([NH2+]Cc2nc(CN(C)C)cs2)CC1 ZINC000722394580 660973701 /nfs/dbraw/zinc/97/37/01/660973701.db2.gz ILFLCAMGDDOLKK-UHFFFAOYSA-N 1 0 313.536 3.216 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000254913703 655543170 /nfs/dbraw/zinc/54/31/70/655543170.db2.gz XWVVDJCNIPBSPI-QGSKFPASSA-N 1 0 312.866 3.260 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C(/C)c1cccc(OC)c1 ZINC000254966631 655550232 /nfs/dbraw/zinc/55/02/32/655550232.db2.gz PUAZNKPMYGBDPO-MLRPBERTSA-N 1 0 316.445 3.041 10 0 DGAERO C=CCOc1ccccc1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000077455288 655568710 /nfs/dbraw/zinc/56/87/10/655568710.db2.gz KXWIZUQLDDDTBT-MRXNPFEDSA-N 1 0 319.351 3.353 10 0 DGAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000049949149 655627315 /nfs/dbraw/zinc/62/73/15/655627315.db2.gz CTYRXXJYQYGPNG-STQMWFEESA-N 1 0 302.187 3.245 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261545405 655648257 /nfs/dbraw/zinc/64/82/57/655648257.db2.gz JWNAMRDQMCUFJP-HKUYNNGSSA-N 1 0 310.441 3.483 10 0 DGAERO COc1cccc([C@@H]2C[N@H+](CCc3cccs3)CCO2)c1 ZINC000119338053 655667107 /nfs/dbraw/zinc/66/71/07/655667107.db2.gz LPIZMVXYWUSNTI-KRWDZBQOSA-N 1 0 303.427 3.373 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CC[C@H]2CC(=O)N(C)C2)c2ccsc2S1 ZINC000723555526 655699375 /nfs/dbraw/zinc/69/93/75/655699375.db2.gz JWFFHNCPUXVESZ-GMXVVIOVSA-N 1 0 310.488 3.132 10 0 DGAERO CC[C@H]([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)[C@H]1CCCOC1 ZINC000724013574 655736265 /nfs/dbraw/zinc/73/62/65/655736265.db2.gz XCOLLNISBUKZIC-QPSCCSFWSA-N 1 0 314.470 3.083 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc(Br)o1)[C@@H]1CCCOC1 ZINC000724015330 655736826 /nfs/dbraw/zinc/73/68/26/655736826.db2.gz TWZRPQALLUHACO-PWSUYJOCSA-N 1 0 302.212 3.337 10 0 DGAERO C[N@H+](Cc1cccs1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724096998 655741550 /nfs/dbraw/zinc/74/15/50/655741550.db2.gz RXTFJXKLLQYLHZ-VIFPVBQESA-N 1 0 303.296 3.129 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000255471639 655757534 /nfs/dbraw/zinc/75/75/34/655757534.db2.gz UGNISEYHMMBNAI-NDXZTHFLSA-N 1 0 316.420 3.172 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1)c1cccc(Cl)c1Cl ZINC000724601808 655792132 /nfs/dbraw/zinc/79/21/32/655792132.db2.gz ZUDDZLOEDDRLBU-RMIALFOJSA-N 1 0 316.228 3.448 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000712440118 661188634 /nfs/dbraw/zinc/18/86/34/661188634.db2.gz UHILAWDVDFTGLT-YLZDHBLKSA-N 1 0 308.466 3.458 10 0 DGAERO Clc1sccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000712640890 661189408 /nfs/dbraw/zinc/18/94/08/661189408.db2.gz GUFFLBCWHLMCIV-GFCCVEGCSA-N 1 0 301.839 3.077 10 0 DGAERO C[C@@H](C[NH3+])c1noc(-c2ccc(Cl)cc2Br)n1 ZINC000235156637 655813127 /nfs/dbraw/zinc/81/31/27/655813127.db2.gz NGIQEUAHMLDPRW-LURJTMIESA-N 1 0 316.586 3.215 10 0 DGAERO Brc1ccsc1CC[NH2+]C[C@H]1CCCOC1 ZINC000713082258 661190185 /nfs/dbraw/zinc/19/01/85/661190185.db2.gz QEDVTWOIXZLPAJ-SNVBAGLBSA-N 1 0 304.253 3.069 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000724914993 655829180 /nfs/dbraw/zinc/82/91/80/655829180.db2.gz RMESOARKMCWJDF-CPIKKWJDSA-N 1 0 312.479 3.012 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000724917744 655829438 /nfs/dbraw/zinc/82/94/38/655829438.db2.gz LTFDPLXUVUWWEO-YDGIUTOCSA-N 1 0 316.626 3.106 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2cncc(Br)c2)OC1 ZINC000713625103 661192545 /nfs/dbraw/zinc/19/25/45/661192545.db2.gz VODNSMICGZQDHN-ZDUSSCGKSA-N 1 0 313.239 3.139 10 0 DGAERO CSCc1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000725113295 655855364 /nfs/dbraw/zinc/85/53/64/655855364.db2.gz FYTFNTCGLRFMEF-UHFFFAOYSA-N 1 0 310.463 3.164 10 0 DGAERO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cn(C)nc2Br)C1 ZINC000713860466 661195207 /nfs/dbraw/zinc/19/52/07/661195207.db2.gz PGMNHNVBNNKIPF-VWYCJHECSA-N 1 0 300.244 3.049 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1Cc1cn(C)nc1Br ZINC000713862772 661195210 /nfs/dbraw/zinc/19/52/10/661195210.db2.gz ZVWHUNHVBYPMQS-LBPRGKRZSA-N 1 0 300.244 3.337 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000309665716 655871368 /nfs/dbraw/zinc/87/13/68/655871368.db2.gz PGUJPAIVWWEFKX-RBUKOAKNSA-N 1 0 314.473 3.342 10 0 DGAERO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000714341910 661198669 /nfs/dbraw/zinc/19/86/69/661198669.db2.gz ITRYCZCYVYBDEX-GFCCVEGCSA-N 1 0 322.257 3.050 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000309883053 655886063 /nfs/dbraw/zinc/88/60/63/655886063.db2.gz XIEDQOOPRYQHPZ-GXTWGEPZSA-N 1 0 314.495 3.165 10 0 DGAERO CCCC[C@@H](COC)[NH2+]Cc1ncc(Br)s1 ZINC000310036792 655889860 /nfs/dbraw/zinc/88/98/60/655889860.db2.gz UOODKSQRPXQVPD-VIFPVBQESA-N 1 0 307.257 3.200 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000714626553 661199890 /nfs/dbraw/zinc/19/98/90/661199890.db2.gz QJVGDCLFLCXWGW-UXIGCNINSA-N 1 0 312.251 3.395 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000714448413 661200620 /nfs/dbraw/zinc/20/06/20/661200620.db2.gz KUQZITMHGBYYFT-PHIMTYICSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@@H](C(=O)OCCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000167001468 655910716 /nfs/dbraw/zinc/91/07/16/655910716.db2.gz ZNHSLJJEQSWBLV-MRXNPFEDSA-N 1 0 319.445 3.114 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000714751069 661202921 /nfs/dbraw/zinc/20/29/21/661202921.db2.gz AOFAYBXSNGGPTK-OTCDBFHCSA-N 1 0 305.752 3.456 10 0 DGAERO O[C@@H](C[NH2+]CCCOc1ccccc1)c1ccccc1Cl ZINC000052092284 655917915 /nfs/dbraw/zinc/91/79/15/655917915.db2.gz XETWJJKFOGISSA-KRWDZBQOSA-N 1 0 305.805 3.432 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(Cl)nc1Cl ZINC000235702978 655923472 /nfs/dbraw/zinc/92/34/72/655923472.db2.gz ROOUORMCXQCQBM-WCQYABFASA-N 1 0 314.260 3.447 10 0 DGAERO OCCC1(C[NH2+]Cc2cccc(Cl)c2Br)CC1 ZINC000719403851 655939966 /nfs/dbraw/zinc/93/99/66/655939966.db2.gz CJMINYAJRDBQHU-UHFFFAOYSA-N 1 0 318.642 3.355 10 0 DGAERO Cc1ccc(Br)cc1-c1noc(CC[C@H](C)[NH3+])n1 ZINC000310721091 655952084 /nfs/dbraw/zinc/95/20/84/655952084.db2.gz IICACRVMNQCTSX-VIFPVBQESA-N 1 0 310.195 3.087 10 0 DGAERO CCC/C=C\C[NH+]1CCC(Cc2nnc(SC)n2C)CC1 ZINC000096759010 655961014 /nfs/dbraw/zinc/96/10/14/655961014.db2.gz WDVNQYBGUGZLAE-SREVYHEPSA-N 1 0 308.495 3.148 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000715093677 661208429 /nfs/dbraw/zinc/20/84/29/661208429.db2.gz NPQPVIOBWIPVBC-HIFPTAJRSA-N 1 0 318.408 3.315 10 0 DGAERO Cc1ccccc1C[C@H](C)[NH2+]Cc1nc(Br)c[nH]1 ZINC000311062243 655970641 /nfs/dbraw/zinc/97/06/41/655970641.db2.gz KCCZROYOCQYIRS-NSHDSACASA-N 1 0 308.223 3.201 10 0 DGAERO C[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc(Cl)cc1Cl ZINC000715201736 661209128 /nfs/dbraw/zinc/20/91/28/661209128.db2.gz JCWVWMNSVZDLHB-IHBFAXJASA-N 1 0 323.170 3.011 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@]1(C)CCCS1)C1CC1 ZINC000327906701 656008466 /nfs/dbraw/zinc/00/84/66/656008466.db2.gz PZNUGXVHXADNND-XJKSGUPXSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@H](C)NC(=O)OC(C)(C)C ZINC000309690159 656040625 /nfs/dbraw/zinc/04/06/25/656040625.db2.gz CRXHQUZBJDGDHI-MNOVXSKESA-N 1 0 314.376 3.356 10 0 DGAERO FC(F)(F)[C@@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CCO1 ZINC000716079315 661217136 /nfs/dbraw/zinc/21/71/36/661217136.db2.gz GOXVAUVXGYIOPC-AVCYUNSRSA-N 1 0 309.397 3.360 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccns1 ZINC000715974875 661217581 /nfs/dbraw/zinc/21/75/81/661217581.db2.gz GKHSAYMBGWMXMO-OFQRWUPVSA-N 1 0 301.459 3.457 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccns1 ZINC000715996190 661217943 /nfs/dbraw/zinc/21/79/43/661217943.db2.gz UUEYICGPCDOGLR-NEPJUHHUSA-N 1 0 311.451 3.193 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccns1 ZINC000715991403 661218029 /nfs/dbraw/zinc/21/80/29/661218029.db2.gz CXEBKUXPNLFLKT-NEPJUHHUSA-N 1 0 311.451 3.193 10 0 DGAERO c1ccc(CN2CC[C@H]2C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000716276130 661220804 /nfs/dbraw/zinc/22/08/04/661220804.db2.gz HJNKOSOLKPIYCT-OALUTQOASA-N 1 0 314.473 3.342 10 0 DGAERO Cc1n[nH]c(C[NH2+]Cc2cc(Br)cs2)c1C ZINC000716455181 661224052 /nfs/dbraw/zinc/22/40/52/661224052.db2.gz GQHQAGONSLAZLA-UHFFFAOYSA-N 1 0 300.225 3.140 10 0 DGAERO C[C@H](OCC1CC1)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183186332 656111103 /nfs/dbraw/zinc/11/11/03/656111103.db2.gz OEZMNURBIVMFQX-YJBOKZPZSA-N 1 0 317.429 3.009 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1C ZINC000183236759 656111626 /nfs/dbraw/zinc/11/16/26/656111626.db2.gz SOYCXJUGOXKVFN-QGZVFWFLSA-N 1 0 319.445 3.287 10 0 DGAERO CCc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)s1 ZINC000309684895 656114081 /nfs/dbraw/zinc/11/40/81/656114081.db2.gz LKZFYRPNLJDXSJ-SREVYHEPSA-N 1 0 310.463 3.481 10 0 DGAERO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000066832357 656121584 /nfs/dbraw/zinc/12/15/84/656121584.db2.gz FBCAPDCLVIQHTD-GFCCVEGCSA-N 1 0 315.385 3.386 10 0 DGAERO Cn1cc(-c2cc(C[NH2+]C(C)(C)c3ccc(F)cc3)on2)cn1 ZINC000185032297 656122999 /nfs/dbraw/zinc/12/29/99/656122999.db2.gz WOKQVEJRYSCGDC-UHFFFAOYSA-N 1 0 314.364 3.239 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000185371042 656125888 /nfs/dbraw/zinc/12/58/88/656125888.db2.gz NDLLNAAZDOTUNY-KRWDZBQOSA-N 1 0 306.450 3.087 10 0 DGAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cc(Cl)cc(Cl)c1F ZINC000716724776 661228149 /nfs/dbraw/zinc/22/81/49/661228149.db2.gz ZAPVVZCIKRQROW-PTNSZRNDSA-N 1 0 305.180 3.047 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000187972484 656142982 /nfs/dbraw/zinc/14/29/82/656142982.db2.gz HTYBOAQCHUZNKV-HUBLWGQQSA-N 1 0 322.453 3.014 10 0 DGAERO CCOC1CC(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000188130184 656143871 /nfs/dbraw/zinc/14/38/71/656143871.db2.gz HLFLJRKJBGUEMV-UHFFFAOYSA-N 1 0 316.445 3.426 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)c(C)s1 ZINC000716808534 661229341 /nfs/dbraw/zinc/22/93/41/661229341.db2.gz AEYFBBNWRFQVKI-WCBMZHEXSA-N 1 0 306.269 3.458 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000716886266 661230099 /nfs/dbraw/zinc/23/00/99/661230099.db2.gz OVWRCFFMSSCYFW-ONGXEEELSA-N 1 0 304.203 3.227 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000053674277 656196518 /nfs/dbraw/zinc/19/65/18/656196518.db2.gz IXQSIFXZMRXTID-HOTGVXAUSA-N 1 0 303.789 3.487 10 0 DGAERO C[C@H]1CN(c2cc(C(F)(F)F)cc(Cl)n2)C[C@H]1[NH+](C)C ZINC000299905363 656227476 /nfs/dbraw/zinc/22/74/76/656227476.db2.gz UNWAFRSYGADRBI-WCBMZHEXSA-N 1 0 307.747 3.140 10 0 DGAERO CN1C(=O)CCc2cc(C[NH2+]C/C=C/c3ccccc3)ccc21 ZINC000187236640 661250895 /nfs/dbraw/zinc/25/08/95/661250895.db2.gz YUZVSPQWTJXILQ-VMPITWQZSA-N 1 0 306.409 3.399 10 0 DGAERO [NH3+][C@H]1CN(Cc2cc(Cl)ccc2F)CC[C@@H]1C(F)(F)F ZINC000717152213 661255790 /nfs/dbraw/zinc/25/57/90/661255790.db2.gz JWJKUHYHAYVPOH-JQWIXIFHSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000717153422 661255800 /nfs/dbraw/zinc/25/58/00/661255800.db2.gz LWGWVSCNLYPIGP-CABZTGNLSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@@H]1CN(Cc2cccc(Cl)c2F)CC[C@H]1C(F)(F)F ZINC000717156756 661255939 /nfs/dbraw/zinc/25/59/39/661255939.db2.gz VVQUUKUAOMCTGB-MWLCHTKSSA-N 1 0 310.722 3.191 10 0 DGAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000722273485 656376171 /nfs/dbraw/zinc/37/61/71/656376171.db2.gz VNGCQPIZDWITGZ-RNCFNFMXSA-N 1 0 317.658 3.142 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(C)c1O ZINC000245893872 656393597 /nfs/dbraw/zinc/39/35/97/656393597.db2.gz QPTGBEZWSQVATQ-KBMXLJTQSA-N 1 0 303.402 3.007 10 0 DGAERO CC1(C)CO[C@H](CC[NH2+]Cc2occc2Br)C1 ZINC000717300537 661261329 /nfs/dbraw/zinc/26/13/29/661261329.db2.gz OCDSXCPZFMRGGR-SNVBAGLBSA-N 1 0 302.212 3.337 10 0 DGAERO CC1(C)CO[C@@H](CC[NH2+]Cc2ncc(Br)s2)C1 ZINC000717342076 661262269 /nfs/dbraw/zinc/26/22/69/661262269.db2.gz FEERBIBKWYZHTC-VIFPVBQESA-N 1 0 319.268 3.200 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CCCOC1 ZINC000723951903 656504821 /nfs/dbraw/zinc/50/48/21/656504821.db2.gz PTNFZUBGXOUSTE-BTHPGYMESA-N 1 0 316.489 3.444 10 0 DGAERO Cc1cccc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000724017122 656505641 /nfs/dbraw/zinc/50/56/41/656505641.db2.gz ODYWKKKWABDMSZ-CABCVRRESA-N 1 0 319.449 3.173 10 0 DGAERO Cn1cc(C[NH2+][C@@H](C2CC2)C2CCCC2)c(Br)n1 ZINC000723964931 656505770 /nfs/dbraw/zinc/50/57/70/656505770.db2.gz MFTUYVNCIFKILW-CYBMUJFWSA-N 1 0 312.255 3.241 10 0 DGAERO C[C@H](Cc1cccs1)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724059899 656507527 /nfs/dbraw/zinc/50/75/27/656507527.db2.gz RURAFTYRWVTZPV-SCZZXKLOSA-N 1 0 317.323 3.217 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc(Cl)n1 ZINC000722383224 656637293 /nfs/dbraw/zinc/63/72/93/656637293.db2.gz PJNYGOIPQFOLTD-QWRGUYRKSA-N 1 0 308.731 3.243 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000317771647 656675516 /nfs/dbraw/zinc/67/55/16/656675516.db2.gz WASJDIYFXRDPCN-XYPHTWIQSA-N 1 0 300.402 3.139 10 0 DGAERO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000261641910 656940207 /nfs/dbraw/zinc/94/02/07/656940207.db2.gz CJEIXRSSZBKNES-JTNHKYCSSA-N 1 0 315.244 3.041 10 0 DGAERO C/C(=C/C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000237219158 656960466 /nfs/dbraw/zinc/96/04/66/656960466.db2.gz MSTAXQNAMZEAQN-VGQOCKIFSA-N 1 0 318.848 3.485 10 0 DGAERO Cc1nc(C(=O)OCCC[N@@H+](C)Cc2ccccc2)c(C)s1 ZINC000178768448 657042886 /nfs/dbraw/zinc/04/28/86/657042886.db2.gz QIWNXCHXEHPHPS-UHFFFAOYSA-N 1 0 318.442 3.439 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1F ZINC000261849723 657136988 /nfs/dbraw/zinc/13/69/88/657136988.db2.gz JIIFEKUZQSGBOG-WBMJQRKESA-N 1 0 322.424 3.309 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000249685531 657419115 /nfs/dbraw/zinc/41/91/15/657419115.db2.gz GOHIPVCYTFTALI-UHOFOFEASA-N 1 0 301.386 3.235 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000249685534 657419392 /nfs/dbraw/zinc/41/93/92/657419392.db2.gz GOHIPVCYTFTALI-VBNZEHGJSA-N 1 0 301.386 3.235 10 0 DGAERO Cc1ccccc1[C@@H]1CCC[N@@H+]1CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000249711645 657423024 /nfs/dbraw/zinc/42/30/24/657423024.db2.gz XGIWYBLHXYGBGW-KURKYZTESA-N 1 0 324.424 3.041 10 0 DGAERO CO[C@@H]1CN(CC(=O)Nc2ccc(C(C)C)cc2)CC[C@H]1C ZINC000251698727 657528881 /nfs/dbraw/zinc/52/88/81/657528881.db2.gz JWCBNWZHRLQTSL-RHSMWYFYSA-N 1 0 304.434 3.105 10 0 DGAERO [NH3+][C@@H]1CC[C@H](c2nc(Cc3ccccc3Br)no2)C1 ZINC000097068267 657591892 /nfs/dbraw/zinc/59/18/92/657591892.db2.gz NXYMNZDBBGRJLT-WDEREUQCSA-N 1 0 322.206 3.018 10 0 DGAERO c1nn(-c2ccccc2)nc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000303029208 657656858 /nfs/dbraw/zinc/65/68/58/657656858.db2.gz WUBZONWYOFPPSD-KRWDZBQOSA-N 1 0 304.397 3.257 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(SC(F)F)cc1 ZINC000054306437 657775249 /nfs/dbraw/zinc/77/52/49/657775249.db2.gz DZDGUQNZPSBNMG-JTQLQIEISA-N 1 0 300.374 3.330 10 0 DGAERO Cn1cc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c(Br)n1 ZINC000720680663 658080607 /nfs/dbraw/zinc/08/06/07/658080607.db2.gz KFEJUGPSSRTFQG-SECBINFHSA-N 1 0 322.197 3.098 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2ccc(F)cc2Cl)C[C@@H]1C(F)(F)F ZINC000720846447 658148658 /nfs/dbraw/zinc/14/86/58/658148658.db2.gz VAMKFZLGHIEZFN-ONGXEEELSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@H]1C(F)(F)F ZINC000720844261 658148765 /nfs/dbraw/zinc/14/87/65/658148765.db2.gz LJSNBHIBBFSAKJ-MWLCHTKSSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@@H]1C(F)(F)F ZINC000720845538 658148817 /nfs/dbraw/zinc/14/88/17/658148817.db2.gz RFQDPCBFAAQXSQ-UWVGGRQHSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2c(F)cccc2Cl)C[C@H]1C(F)(F)F ZINC000720847082 658150002 /nfs/dbraw/zinc/15/00/02/658150002.db2.gz YBICQDHDBHPGQA-WCBMZHEXSA-N 1 0 310.722 3.048 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[NH2+]C2(C)CC(F)(F)C2)C1 ZINC000720936301 658237110 /nfs/dbraw/zinc/23/71/10/658237110.db2.gz HAUGYFAELAPPQY-PHIMTYICSA-N 1 0 304.381 3.067 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179342820 658444648 /nfs/dbraw/zinc/44/46/48/658444648.db2.gz AIMFUSOBTBCCTF-SICOMBFOSA-N 1 0 304.821 3.050 10 0 DGAERO CCO[C@@H]1CCC[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)C1 ZINC000721159812 658574248 /nfs/dbraw/zinc/57/42/48/658574248.db2.gz NDNDXWCFUOQILJ-NXEZZACHSA-N 1 0 305.287 3.095 10 0 DGAERO COCCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721852355 658753886 /nfs/dbraw/zinc/75/38/86/658753886.db2.gz KQEIQOABEDEVMR-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO COCCC[C@@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721852350 658753929 /nfs/dbraw/zinc/75/39/29/658753929.db2.gz KQEIQOABEDEVMR-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1ccccc1C[C@@H](C)[NH2+]Cc1nc(Br)c[nH]1 ZINC000311062242 658758896 /nfs/dbraw/zinc/75/88/96/658758896.db2.gz KCCZROYOCQYIRS-LLVKDONJSA-N 1 0 308.223 3.201 10 0 DGAERO c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(C3OCCO3)cc1)C2 ZINC000166234902 658825797 /nfs/dbraw/zinc/82/57/97/658825797.db2.gz JQTQVJMEDVYTHW-LJQANCHMSA-N 1 0 309.409 3.379 10 0 DGAERO O[C@H](C[NH2+][C@H]1CC12CCC2)COc1c(Cl)cccc1Cl ZINC000721242043 658894004 /nfs/dbraw/zinc/89/40/04/658894004.db2.gz DGEIJNSWPTWNOD-MFKMUULPSA-N 1 0 316.228 3.265 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)C[C@@H](O)c1cc(F)ccc1F ZINC000055025053 658909060 /nfs/dbraw/zinc/90/90/60/658909060.db2.gz JAURYSRAAJTLMD-QGZVFWFLSA-N 1 0 309.331 3.312 10 0 DGAERO CC[N@H+](CCOc1ccc(Br)cc1)CCC(C)=O ZINC000156818345 658948514 /nfs/dbraw/zinc/94/85/14/658948514.db2.gz GUUXCQITLMQCSF-UHFFFAOYSA-N 1 0 314.223 3.129 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccccc1SC(F)F ZINC000722524674 658966994 /nfs/dbraw/zinc/96/69/94/658966994.db2.gz HULTTXMMMCCSHE-NXEZZACHSA-N 1 0 300.374 3.185 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cn2cc(-c3ccccc3)cn2)s1 ZINC000165198158 658969570 /nfs/dbraw/zinc/96/95/70/658969570.db2.gz XSSVYOLKVNKGFT-UHFFFAOYSA-N 1 0 312.442 3.447 10 0 DGAERO [NH3+]CC1(c2nc(CSc3ccc(F)cc3)no2)CCCC1 ZINC000165405098 658986153 /nfs/dbraw/zinc/98/61/53/658986153.db2.gz ZDCJSYPUDRXJRC-UHFFFAOYSA-N 1 0 307.394 3.272 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1ccccn1 ZINC000224959870 659035801 /nfs/dbraw/zinc/03/58/01/659035801.db2.gz WQDDJDDWMACUDA-OFQRWUPVSA-N 1 0 319.449 3.426 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000166625334 659042144 /nfs/dbraw/zinc/04/21/44/659042144.db2.gz GBGWOTGPAVVJOW-IAQYHMDHSA-N 1 0 309.841 3.252 10 0 DGAERO C[NH+](C)C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000225800392 659082879 /nfs/dbraw/zinc/08/28/79/659082879.db2.gz SXZNYJWYEOQIRW-UHFFFAOYSA-N 1 0 307.747 3.284 10 0 DGAERO c1nn(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000058472441 659083119 /nfs/dbraw/zinc/08/31/19/659083119.db2.gz IOPSKWSISDEMDE-HXUWFJFHSA-N 1 0 318.424 3.474 10 0 DGAERO Cc1sc(C[NH2+]CC[C@H]2CCCO2)cc1Br ZINC000227816298 659165988 /nfs/dbraw/zinc/16/59/88/659165988.db2.gz RJDJNFNMYHJMHR-SNVBAGLBSA-N 1 0 304.253 3.478 10 0 DGAERO Cc1sc(C[NH2+]CC[C@@H](C)[S@@](C)=O)cc1Br ZINC000227853837 659167072 /nfs/dbraw/zinc/16/70/72/659167072.db2.gz ZSHHBZLOXDJTRG-VPTHRUTESA-N 1 0 324.309 3.066 10 0 DGAERO COCC[N@@H+]1CCC[C@@]2(CCN(C/C(C)=C\c3ccco3)C2)C1 ZINC000229468796 659261771 /nfs/dbraw/zinc/26/17/71/659261771.db2.gz WQNJPFGVFFUXFW-BLMOFCDVSA-N 1 0 318.461 3.117 10 0 DGAERO CC/C=C(/C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2C)C1 ZINC000229531641 659266274 /nfs/dbraw/zinc/26/62/74/659266274.db2.gz NBZFXECOZBDKMG-VCXBKZMZSA-N 1 0 316.445 3.109 10 0 DGAERO O=C(c1ccoc1)N1C[C@@H]2CC[N@H+](C/C=C\c3ccccc3)[C@@H]2C1 ZINC000229782412 659281995 /nfs/dbraw/zinc/28/19/95/659281995.db2.gz RNWFOCVYRQJJHO-IXWMDQSNSA-N 1 0 322.408 3.139 10 0 DGAERO COc1ccc([C@H](C)[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cc1Cl ZINC000229800439 659283255 /nfs/dbraw/zinc/28/32/55/659283255.db2.gz SZYUPWRGJOWHAE-STQMWFEESA-N 1 0 324.852 3.387 10 0 DGAERO Cc1cccc2c1CCN(C(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000171618624 659292106 /nfs/dbraw/zinc/29/21/06/659292106.db2.gz KCRUNDIDCHTLDL-HXUWFJFHSA-N 1 0 322.452 3.053 10 0 DGAERO Cc1cc(NCC[C@@H](C)NC(=O)OC(C)(C)C)nc(C2CC2)n1 ZINC000172014866 659310680 /nfs/dbraw/zinc/31/06/80/659310680.db2.gz LQYHLULQHCALRS-LLVKDONJSA-N 1 0 320.437 3.378 10 0 DGAERO O=C(C[C@@H]1CCCO1)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000172042990 659311823 /nfs/dbraw/zinc/31/18/23/659311823.db2.gz ZRQOTXSCWZXWJY-ROUUACIJSA-N 1 0 317.429 3.011 10 0 DGAERO Brc1ccccc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084634 659363288 /nfs/dbraw/zinc/36/32/88/659363288.db2.gz OERZGLKGBDFUEQ-JTQLQIEISA-N 1 0 322.206 3.041 10 0 DGAERO C[C@@H](O)C1CC[NH+](Cn2ccc(=S)c3ccccc32)CC1 ZINC000173356224 659381836 /nfs/dbraw/zinc/38/18/36/659381836.db2.gz DYYJIMDQDAEHRX-CYBMUJFWSA-N 1 0 302.443 3.421 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000231528542 659391119 /nfs/dbraw/zinc/39/11/19/659391119.db2.gz IVUUKLVJSRENRB-KGLIPLIRSA-N 1 0 323.437 3.423 10 0 DGAERO Cc1cc(Br)ccc1-c1noc([C@@]2(C)CCC[NH2+]2)n1 ZINC000231695116 659398841 /nfs/dbraw/zinc/39/88/41/659398841.db2.gz HWWSNMZDPQYYAK-CQSZACIVSA-N 1 0 322.206 3.406 10 0 DGAERO CC(C)[C@@H](C[NH2+]CCc1ccccc1)NC(=O)OC(C)(C)C ZINC000232008348 659409077 /nfs/dbraw/zinc/40/90/77/659409077.db2.gz PSLMYANEEVULBQ-MRXNPFEDSA-N 1 0 306.450 3.368 10 0 DGAERO O=C(CCC(F)(F)F)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174210548 659420064 /nfs/dbraw/zinc/42/00/64/659420064.db2.gz PNHTVZZUKWJITB-CYBMUJFWSA-N 1 0 301.308 3.147 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCCC(F)(F)F ZINC000232499990 659436020 /nfs/dbraw/zinc/43/60/20/659436020.db2.gz OTBHNGXOSCREJU-LLVKDONJSA-N 1 0 310.360 3.318 10 0 DGAERO Cc1nc(C)c(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)o1 ZINC000311696117 659482407 /nfs/dbraw/zinc/48/24/07/659482407.db2.gz QMVIUTKLWZDIIR-UHFFFAOYSA-N 1 0 323.437 3.217 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1)N(CN1CCOC1=S)C1CC1 ZINC000067873599 659928927 /nfs/dbraw/zinc/92/89/27/659928927.db2.gz YIMYZEMRXSYORB-NSHDSACASA-N 1 0 310.850 3.440 10 0 DGAERO c1[nH]nc2c1[C@H](NC1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000353524192 659995568 /nfs/dbraw/zinc/99/55/68/659995568.db2.gz ZSDROVYMIZVXRB-QGZVFWFLSA-N 1 0 302.466 3.174 10 0 DGAERO COc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)cc1O ZINC000181377685 659996892 /nfs/dbraw/zinc/99/68/92/659996892.db2.gz DAOPUHJGTMPQMY-UHFFFAOYSA-N 1 0 307.777 3.358 10 0 DGAERO CC(C)OCCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181554786 660007643 /nfs/dbraw/zinc/00/76/43/660007643.db2.gz IAIIQPUKFIRBGH-KRWDZBQOSA-N 1 0 305.418 3.009 10 0 DGAERO Cn1nccc1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000070141196 660038720 /nfs/dbraw/zinc/03/87/20/660038720.db2.gz KMOQGLNURROLFD-UHFFFAOYSA-N 1 0 301.337 3.322 10 0 DGAERO COc1cccc2c1CC[N@H+](C[C@H](O)c1ccccc1Cl)C2 ZINC000182726265 660074507 /nfs/dbraw/zinc/07/45/07/660074507.db2.gz BSYIKNSFTYDFMK-KRWDZBQOSA-N 1 0 317.816 3.440 10 0 DGAERO COCCCCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183174566 660103486 /nfs/dbraw/zinc/10/34/86/660103486.db2.gz QDSGBMVPBGJJLZ-QGZVFWFLSA-N 1 0 305.418 3.011 10 0 DGAERO O=C(CCc1ccccn1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183194852 660104150 /nfs/dbraw/zinc/10/41/50/660104150.db2.gz BPPZMGXUTIKCCM-IBGZPJMESA-N 1 0 324.424 3.222 10 0 DGAERO C=CCCO[C@H](C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183186428 660104183 /nfs/dbraw/zinc/10/41/83/660104183.db2.gz VJLRZOCERRAKHR-AEFFLSMTSA-N 1 0 317.429 3.175 10 0 DGAERO Cc1cc2oc(=O)cc(C[NH2+][C@H](C)[C@@H]3CCCO3)c2cc1C ZINC000183202295 660104515 /nfs/dbraw/zinc/10/45/15/660104515.db2.gz XBTYVTJBMDTGKZ-CJNGLKHVSA-N 1 0 301.386 3.067 10 0 DGAERO CO[C@@H](C)CCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183291011 660107540 /nfs/dbraw/zinc/10/75/40/660107540.db2.gz ZNGOAOIVSFFMKH-WMZOPIPTSA-N 1 0 319.445 3.257 10 0 DGAERO CCC1(COC(=O)[C@@H](C)OC)CC[NH+](Cc2ccccc2)CC1 ZINC000183296390 660107891 /nfs/dbraw/zinc/10/78/91/660107891.db2.gz VIHJDHAKSFTMAI-MRXNPFEDSA-N 1 0 319.445 3.257 10 0 DGAERO CCc1cnccc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183623353 660127373 /nfs/dbraw/zinc/12/73/73/660127373.db2.gz RYRWEBFIEKQFAD-KRWDZBQOSA-N 1 0 310.397 3.075 10 0 DGAERO C[C@@H]1CC(=O)CC[C@@H]1C(=O)OCCC[N@H+](C)Cc1ccccc1 ZINC000184567558 660172910 /nfs/dbraw/zinc/17/29/10/660172910.db2.gz FOPYSWUUDOTKHB-QAPCUYQASA-N 1 0 317.429 3.057 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCOC1 ZINC000040227672 661831547 /nfs/dbraw/zinc/83/15/47/661831547.db2.gz SCDBSCUFXVLBQW-IAQYHMDHSA-N 1 0 310.235 3.453 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)CCCSC(C)(C)C)[C@@H](C)C1 ZINC000158579629 661874629 /nfs/dbraw/zinc/87/46/29/661874629.db2.gz JYVDAOHXTMVRCO-KBPBESRZSA-N 1 0 300.512 3.143 10 0 DGAERO CC1(C)C[N@H+](C[C@@H](O)c2ccc(F)cc2)CC2(CCCC2)O1 ZINC000190980586 662051015 /nfs/dbraw/zinc/05/10/15/662051015.db2.gz CFNKEKGMBIECTQ-MRXNPFEDSA-N 1 0 307.409 3.283 10 0 DGAERO CSC1(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000191278326 662058182 /nfs/dbraw/zinc/05/81/82/662058182.db2.gz YKZHRSBYXRJVQD-HNNXBMFYSA-N 1 0 305.443 3.090 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192034642 662086433 /nfs/dbraw/zinc/08/64/33/662086433.db2.gz LYODZWIWBWYECK-WBVHZDCISA-N 1 0 301.430 3.344 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(COC)cc2)CC1 ZINC000192579109 662105324 /nfs/dbraw/zinc/10/53/24/662105324.db2.gz PKEVHXHKIBHONY-UHFFFAOYSA-N 1 0 319.449 3.077 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3nc(Cl)ccc3c2)C1 ZINC000194661077 662170898 /nfs/dbraw/zinc/17/08/98/662170898.db2.gz JLCFIWXVNNIOML-CQSZACIVSA-N 1 0 317.820 3.102 10 0 DGAERO C[C@@]1(C[NH2+]C[C@@H]2CCC=CO2)CCCN1Cc1ccccc1 ZINC000194759116 662172980 /nfs/dbraw/zinc/17/29/80/662172980.db2.gz UWLCRAYGNVJIKX-OALUTQOASA-N 1 0 300.446 3.323 10 0 DGAERO C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc(C(F)(F)F)s1 ZINC000717905756 662197223 /nfs/dbraw/zinc/19/72/23/662197223.db2.gz QOBBOAXLDOGILL-VIFPVBQESA-N 1 0 303.353 3.394 10 0 DGAERO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717946681 662211995 /nfs/dbraw/zinc/21/19/95/662211995.db2.gz SXFJKBSLNRYGJV-CABZTGNLSA-N 1 0 311.369 3.205 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(C(F)(F)F)s1 ZINC000717985003 662213072 /nfs/dbraw/zinc/21/30/72/662213072.db2.gz VILKMGHFFALDRO-KCJUWKMLSA-N 1 0 311.394 3.286 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(C(F)(F)F)s1 ZINC000717999137 662213248 /nfs/dbraw/zinc/21/32/48/662213248.db2.gz FBGPAOIQVBCFEW-VDTYLAMSSA-N 1 0 307.259 3.341 10 0 DGAERO Clc1sc(C[NH2+][C@]23C[C@H]2COC3)cc1Br ZINC000718045682 662215491 /nfs/dbraw/zinc/21/54/91/662215491.db2.gz PBWYCSZDECHMSB-WKEGUHRASA-N 1 0 308.628 3.043 10 0 DGAERO C[NH+]=C(NCc1ccco1)NCc1ccc(F)cc1CSC ZINC000086999701 662221955 /nfs/dbraw/zinc/22/19/55/662221955.db2.gz MKPGACJAJOBTRO-UHFFFAOYSA-N 1 0 321.421 3.147 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(Cc2c(F)cccc2Cl)no1 ZINC000089431257 662243540 /nfs/dbraw/zinc/24/35/40/662243540.db2.gz GYMPXSHSONTSGN-ZJUUUORDSA-N 1 0 309.772 3.295 10 0 DGAERO c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000718375568 662254312 /nfs/dbraw/zinc/25/43/12/662254312.db2.gz UGWHMUVVLCHBKS-SOUVJXGZSA-N 1 0 308.516 3.295 10 0 DGAERO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000246353307 662254926 /nfs/dbraw/zinc/25/49/26/662254926.db2.gz MQMKOINMDZOFAW-ZWKOTPCHSA-N 1 0 317.429 3.011 10 0 DGAERO NC(=O)CC1CC([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000718537761 662258673 /nfs/dbraw/zinc/25/86/73/662258673.db2.gz SDCQZQJNDDHIKR-UHFFFAOYSA-N 1 0 324.424 3.009 10 0 DGAERO CO[C@H]1CCC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000718738562 662261154 /nfs/dbraw/zinc/26/11/54/662261154.db2.gz ZBNQMJCQKBERJB-CABCVRRESA-N 1 0 314.470 3.181 10 0 DGAERO CO[C@H]1CCC[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000718812955 662262129 /nfs/dbraw/zinc/26/21/29/662262129.db2.gz UPRRTWJFVSMCOG-ZNMIVQPWSA-N 1 0 314.470 3.227 10 0 DGAERO CO[C@H]1CCC[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)CC1 ZINC000718839508 662262414 /nfs/dbraw/zinc/26/24/14/662262414.db2.gz JHBLJOPOCPGFEG-ZJUUUORDSA-N 1 0 305.287 3.095 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000718843273 662263172 /nfs/dbraw/zinc/26/31/72/662263172.db2.gz RZUDXLQNLCUVIY-CEXWTWQISA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000718866213 662263423 /nfs/dbraw/zinc/26/34/23/662263423.db2.gz NWJMCRGOUHAUJW-IUODEOHRSA-N 1 0 321.877 3.407 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000718866209 662263518 /nfs/dbraw/zinc/26/35/18/662263518.db2.gz NWJMCRGOUHAUJW-DOMZBBRYSA-N 1 0 321.877 3.407 10 0 DGAERO CC1(C)CCCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000718949436 662265511 /nfs/dbraw/zinc/26/55/11/662265511.db2.gz IPFZCDUTBMVMMH-ZNMIVQPWSA-N 1 0 301.496 3.291 10 0 DGAERO Cc1nc(C[NH2+]C[C@H](O)CC(C)(C)C)sc1Br ZINC000719218650 662271594 /nfs/dbraw/zinc/27/15/94/662271594.db2.gz CHGUNALNAMDYML-SECBINFHSA-N 1 0 321.284 3.101 10 0 DGAERO CO[C@@H]([C@H](C)[NH2+]Cc1nc(C)c(Br)s1)C1CC1 ZINC000719232419 662271878 /nfs/dbraw/zinc/27/18/78/662271878.db2.gz SJSVVLQDUZOTFK-CPCISQLKSA-N 1 0 319.268 3.117 10 0 DGAERO CCOC(C)(C)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719276874 662272615 /nfs/dbraw/zinc/27/26/15/662272615.db2.gz CRXCZWWZIYNNFF-UHFFFAOYSA-N 1 0 307.257 3.119 10 0 DGAERO COCCC(C)(C)[NH2+]Cc1nc(C)c(Br)s1 ZINC000719314708 662273204 /nfs/dbraw/zinc/27/32/04/662273204.db2.gz DQHSJBYVYFCING-UHFFFAOYSA-N 1 0 307.257 3.119 10 0 DGAERO CC1CCC(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000246770783 662277672 /nfs/dbraw/zinc/27/76/72/662277672.db2.gz PWZADBHHMROMDG-BHUNQDJPSA-N 1 0 307.434 3.230 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)c(C)c1Br ZINC000719534107 662291662 /nfs/dbraw/zinc/29/16/62/662291662.db2.gz FVDQQMTWVZNVHH-HDJSIYSDSA-N 1 0 312.251 3.459 10 0 DGAERO Cc1cc(C[NH2+]Cc2ccc(C)c(Br)c2C)n(C)n1 ZINC000719559926 662292023 /nfs/dbraw/zinc/29/20/23/662292023.db2.gz BJOPORBFSNSXOE-UHFFFAOYSA-N 1 0 322.250 3.398 10 0 DGAERO C[NH2+]CCCCC(=O)N[C@@H](C)c1ccccc1Br ZINC000719746071 662296633 /nfs/dbraw/zinc/29/66/33/662296633.db2.gz XNAXLRXXUHKUDG-NSHDSACASA-N 1 0 313.239 3.016 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000720149553 662303220 /nfs/dbraw/zinc/30/32/20/662303220.db2.gz NXZVGBCNUFYTLB-IHRRRGAJSA-N 1 0 314.470 3.035 10 0 DGAERO c1ccc2c(c1)C[C@@H](c1nc(C[C@H]3CCC[NH2+]C3)no1)S2 ZINC000092233937 662328606 /nfs/dbraw/zinc/32/86/06/662328606.db2.gz INHVDQQGXJSKOU-RISCZKNCSA-N 1 0 301.415 3.001 10 0 DGAERO CC[C@H](C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000248266630 662338673 /nfs/dbraw/zinc/33/86/73/662338673.db2.gz YCQGARTUSIVJST-MSOLQXFVSA-N 1 0 319.445 3.080 10 0 DGAERO COc1cc(C[N@@H+]2CCC3(CCCC3)C2)cc2c1OCCO2 ZINC000093336585 662353032 /nfs/dbraw/zinc/35/30/32/662353032.db2.gz UKHLFEATXGUPQN-UHFFFAOYSA-N 1 0 303.402 3.233 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000248842464 662360445 /nfs/dbraw/zinc/36/04/45/662360445.db2.gz LYODZWIWBWYECK-NVXWUHKLSA-N 1 0 301.430 3.344 10 0 DGAERO C[C@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCCCO1 ZINC000379178665 685147396 /nfs/dbraw/zinc/14/73/96/685147396.db2.gz ODZARGORIGCSCS-KBPBESRZSA-N 1 0 314.470 3.227 10 0 DGAERO CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000381689754 685159187 /nfs/dbraw/zinc/15/91/87/685159187.db2.gz FGDPMFBRCKOVMQ-UONOGXRCSA-N 1 0 322.449 3.477 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)[C@H](C)NC(=O)OC(C)(C)C ZINC000381761531 685160234 /nfs/dbraw/zinc/16/02/34/685160234.db2.gz ORKJROXULILZPO-VNHYZAJKSA-N 1 0 319.449 3.350 10 0 DGAERO COCC1(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)CCC1 ZINC000381926567 685160965 /nfs/dbraw/zinc/16/09/65/685160965.db2.gz QABDYHXWZAOXJF-UHFFFAOYSA-N 1 0 314.470 3.086 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]([NH2+][C@H]1CC2CCC1CC2)C1CC1 ZINC000381975284 685161616 /nfs/dbraw/zinc/16/16/16/685161616.db2.gz IGFPFAWVFJFBFU-FPCDFSMTSA-N 1 0 308.466 3.458 10 0 DGAERO c1ccc(CN2CCO[C@H](C[NH2+][C@H]3CC4CCC3CC4)C2)cc1 ZINC000382051224 685161744 /nfs/dbraw/zinc/16/17/44/685161744.db2.gz WKBJLDKIQPCMNH-HFPIOELMSA-N 1 0 314.473 3.056 10 0 DGAERO CC(C)(C)OC(=O)NC1(C[NH2+]C[C@@]2(C)CCCS2)CCC1 ZINC000382252082 685162219 /nfs/dbraw/zinc/16/22/19/685162219.db2.gz VIHGBLKVVZLLEL-OAHLLOKOSA-N 1 0 314.495 3.309 10 0 DGAERO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000382122082 685162644 /nfs/dbraw/zinc/16/26/44/685162644.db2.gz UHRNQKUCGDAPMF-ILXRZTDVSA-N 1 0 314.470 3.227 10 0 DGAERO CSC(C)(C)CC[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000385288095 685173886 /nfs/dbraw/zinc/17/38/86/685173886.db2.gz HUYMFMFEFGTISW-BQYQJAHWSA-N 1 0 302.484 3.189 10 0 DGAERO CN(Cc1ccsc1Br)[C@@H]1CCCC[C@H]1O ZINC000388871936 685191659 /nfs/dbraw/zinc/19/16/59/685191659.db2.gz BTHOYNOORSMRPZ-GHMZBOCLSA-N 1 0 304.253 3.246 10 0 DGAERO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000389761729 685195584 /nfs/dbraw/zinc/19/55/84/685195584.db2.gz XVVIHNQEXLKQIE-JKJDWNRSSA-N 1 0 308.466 3.410 10 0 DGAERO CCC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390105405 685199169 /nfs/dbraw/zinc/19/91/69/685199169.db2.gz IUKPQAYCMUKAMT-HUUCEWRRSA-N 1 0 314.470 3.038 10 0 DGAERO CCC[C@@H](C)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390723580 685204553 /nfs/dbraw/zinc/20/45/53/685204553.db2.gz ZVZUBYZUEMHAME-IEBWSBKVSA-N 1 0 304.478 3.303 10 0 DGAERO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390889322 685207422 /nfs/dbraw/zinc/20/74/22/685207422.db2.gz ZXNAVWACODZHOZ-GUDVDZBRSA-N 1 0 316.489 3.444 10 0 DGAERO Cc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)ccn1 ZINC000391170047 685209864 /nfs/dbraw/zinc/20/98/64/685209864.db2.gz GUKLZSMMROTFSE-CJNGLKHVSA-N 1 0 319.449 3.125 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCOC(F)F)cc1Br ZINC000398269805 685236441 /nfs/dbraw/zinc/23/64/41/685236441.db2.gz UAQZQUFWGZLMTC-QMMMGPOBSA-N 1 0 324.165 3.348 10 0 DGAERO CC(C)[C@@H](C[NH2+]C1CC(C)(C)C1)ONC(=O)OC(C)(C)C ZINC000398943125 1176118154 /nfs/dbraw/zinc/11/81/54/1176118154.db2.gz WSVOBZBOCKJISA-CYBMUJFWSA-N 1 0 300.443 3.246 10 0 DGAERO CC(C)[N@H+](C)CCCNCc1cc(F)cc(Br)c1 ZINC000226392990 1176198619 /nfs/dbraw/zinc/19/86/19/1176198619.db2.gz QSHVGSOCJGDXIT-UHFFFAOYSA-N 1 0 317.246 3.408 10 0 DGAERO Cc1cc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(C#N)cn1 ZINC000399590854 1176497563 /nfs/dbraw/zinc/49/75/63/1176497563.db2.gz QQAGMHLUPHKBHQ-IBGZPJMESA-N 1 0 320.440 3.150 10 0 DGAERO Cc1n[nH]c(C)c1C[NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000227744852 1176537698 /nfs/dbraw/zinc/53/76/98/1176537698.db2.gz YNNIEDYYTBUXQO-AWEZNQCLSA-N 1 0 324.469 3.056 10 0 DGAERO CCN(CC)C(=O)c1cccc(N[C@@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000262304058 1176578048 /nfs/dbraw/zinc/57/80/48/1176578048.db2.gz OXZBNSSOVYPJKD-HOCLYGCPSA-N 1 0 303.450 3.111 10 0 DGAERO Cc1ccncc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000309835176 1176757575 /nfs/dbraw/zinc/75/75/75/1176757575.db2.gz IJACYKXMHHLSHM-GOEBONIOSA-N 1 0 319.449 3.173 10 0 DGAERO CCN(CC[NH2+]Cc1cccc(C)c1F)C(=O)OC(C)(C)C ZINC000395036508 1176778431 /nfs/dbraw/zinc/77/84/31/1176778431.db2.gz IKRBSCIOCDSRBJ-UHFFFAOYSA-N 1 0 310.413 3.481 10 0 DGAERO COC(C)(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397828671 1177012639 /nfs/dbraw/zinc/01/26/39/1177012639.db2.gz MHBNWLARZWQEGS-CHWSQXEVSA-N 1 0 314.470 3.083 10 0 DGAERO CCC[C@@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000382161327 1177027437 /nfs/dbraw/zinc/02/74/37/1177027437.db2.gz SVBDLDDMVMISKE-KGLIPLIRSA-N 1 0 302.459 3.085 10 0 DGAERO Ic1ccc(C[NH2+]C/C=C/C2CC2)cc1 ZINC000382054173 1177027447 /nfs/dbraw/zinc/02/74/47/1177027447.db2.gz BAVPUSHMJWCLME-OWOJBTEDSA-N 1 0 313.182 3.347 10 0 DGAERO CC(C)C[C@H](C)[NH2+]C[C@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398671144 1177027748 /nfs/dbraw/zinc/02/77/48/1177027748.db2.gz FBYMWQZQNNRPPC-KBPBESRZSA-N 1 0 302.459 3.492 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000380952857 1177334829 /nfs/dbraw/zinc/33/48/29/1177334829.db2.gz RZBOILDDWALRKM-STQMWFEESA-N 1 0 310.413 3.260 10 0 DGAERO CCOc1cccc(NC(=O)C2CC[NH+](CC(C)C)CC2)c1 ZINC000055768887 1194824663 /nfs/dbraw/zinc/82/46/63/1194824663.db2.gz VKIUKSXEHQDAOK-UHFFFAOYSA-N 1 0 304.434 3.392 10 0 DGAERO COc1ccc(C[NH2+]CCc2nnc(-c3ccccc3)o2)cc1 ZINC000062653127 1195260906 /nfs/dbraw/zinc/26/09/06/1195260906.db2.gz SVJPCWSZQIXAQZ-UHFFFAOYSA-N 1 0 309.369 3.078 10 0 DGAERO CC[C@]1(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)CC[NH2+]C1 ZINC000062893445 1195269635 /nfs/dbraw/zinc/26/96/35/1195269635.db2.gz GESMIDHAWUZKLM-INIZCTEOSA-N 1 0 310.825 3.455 10 0 DGAERO C[NH+](C)Cc1ccccc1NC(=O)c1ccc(Cl)cc1N ZINC000062823182 1195268508 /nfs/dbraw/zinc/26/85/08/1195268508.db2.gz UVDUITSOSQCPLW-UHFFFAOYSA-N 1 0 303.793 3.236 10 0 DGAERO C#CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)C1CCCCC1 ZINC000065959972 1195481250 /nfs/dbraw/zinc/48/12/50/1195481250.db2.gz VFOBMKQPBMYWNR-AEFFLSMTSA-N 1 0 304.478 3.291 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCCn2ccnc2)cc1Cl ZINC000066969665 1195578649 /nfs/dbraw/zinc/57/86/49/1195578649.db2.gz KSXKXODFGHYMRA-UHFFFAOYSA-N 1 0 305.809 3.281 10 0 DGAERO CC(C)(C)c1nc(C[NH2+]C2CCC3(CC2)OCCO3)cs1 ZINC000067212968 1195606787 /nfs/dbraw/zinc/60/67/87/1195606787.db2.gz YAXVGJAMEJHGGV-UHFFFAOYSA-N 1 0 310.463 3.216 10 0 DGAERO c1cnc2c(c1)cccc2C[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000079760969 1196985408 /nfs/dbraw/zinc/98/54/08/1196985408.db2.gz REDLEKBPQBYKIR-UHFFFAOYSA-N 1 0 322.364 3.132 10 0 DGAERO CC(C)n1cc(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000080206452 1197045306 /nfs/dbraw/zinc/04/53/06/1197045306.db2.gz RNZKDMIVWWYOSY-QGZVFWFLSA-N 1 0 314.477 3.464 10 0 DGAERO c1cn(CCC[NH2+]Cc2cnc(-c3ccsc3)s2)cn1 ZINC000084650353 1197529393 /nfs/dbraw/zinc/52/93/93/1197529393.db2.gz PGOKVRIKGFZSCJ-UHFFFAOYSA-N 1 0 304.444 3.248 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNCc1cccc(Br)c1F ZINC000395032787 1197722079 /nfs/dbraw/zinc/72/20/79/1197722079.db2.gz YFCQZHFISTYWPP-NSHDSACASA-N 1 0 317.246 3.408 10 0 DGAERO Cc1cnccc1CC[NH2+]Cc1cccc(Br)c1 ZINC000397525472 1197723740 /nfs/dbraw/zinc/72/37/40/1197723740.db2.gz QLRSSBIVCNYIRX-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO CN1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093982130 1198743685 /nfs/dbraw/zinc/74/36/85/1198743685.db2.gz UCDVQLGSXTYXEK-CQSZACIVSA-N 1 0 315.230 3.162 10 0 DGAERO CCOc1ccc(C[NH2+]CCN2CCc3ccccc3C2)cc1 ZINC000097206022 1199102505 /nfs/dbraw/zinc/10/25/05/1199102505.db2.gz KXMPAESQRLSELH-UHFFFAOYSA-N 1 0 310.441 3.233 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC000300218347 1199349546 /nfs/dbraw/zinc/34/95/46/1199349546.db2.gz SFXPLKOJIHPHRD-SUJAAXHWSA-N 1 0 308.466 3.410 10 0 DGAERO CC(C)SCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401720896 1199415862 /nfs/dbraw/zinc/41/58/62/1199415862.db2.gz JBRXKEQZDZCGPM-KBPBESRZSA-N 1 0 316.511 3.363 10 0 DGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000302872326 1199549073 /nfs/dbraw/zinc/54/90/73/1199549073.db2.gz NPLSRTUWXFRGIB-PMACEKPBSA-N 1 0 317.521 3.217 10 0 DGAERO CCCn1cncc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000303211449 1199588399 /nfs/dbraw/zinc/58/83/99/1199588399.db2.gz PIAWBBNFDRPLHT-UHFFFAOYSA-N 1 0 312.461 3.047 10 0 DGAERO CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404946693 1199589455 /nfs/dbraw/zinc/58/94/55/1199589455.db2.gz OAHZQEHFOGDEFL-UONOGXRCSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCc2ccco2)C12CCC2 ZINC000405227079 1199594960 /nfs/dbraw/zinc/59/49/60/1199594960.db2.gz OZIDIGMMEMEIGN-LSDHHAIUSA-N 1 0 320.433 3.248 10 0 DGAERO CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405308598 1199597016 /nfs/dbraw/zinc/59/70/16/1199597016.db2.gz NNXPVCWBCNDTAA-CBBWQLFWSA-N 1 0 308.466 3.458 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCOCc1ccccc1 ZINC000306737800 1199696579 /nfs/dbraw/zinc/69/65/79/1199696579.db2.gz RRENYFJZKZPAAD-GHTZIAJQSA-N 1 0 324.468 3.313 10 0 DGAERO Brc1ccc(C[NH2+]CCOc2cccnc2)cc1 ZINC000114507637 1199702831 /nfs/dbraw/zinc/70/28/31/1199702831.db2.gz WLIZAEFKNIKGSM-UHFFFAOYSA-N 1 0 307.191 3.013 10 0 DGAERO CCC(C)(C)OCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000308540166 1199704602 /nfs/dbraw/zinc/70/46/02/1199704602.db2.gz ITUVXZNCHSNYBL-GOSISDBHSA-N 1 0 304.478 3.446 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@@H]2CCCC[C@@H]2C)cs1)C1CC1 ZINC000115609723 1199755477 /nfs/dbraw/zinc/75/54/77/1199755477.db2.gz NQNWZBDIFOAWAM-XHDPSFHLSA-N 1 0 307.463 3.327 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCCNc1ccccc1 ZINC000124216778 1200332191 /nfs/dbraw/zinc/33/21/91/1200332191.db2.gz QZXPCSINAJWLNM-UHFFFAOYSA-N 1 0 307.401 3.064 10 0 DGAERO CC(C)COCCC[NH2+]Cc1cc(O)ccc1Br ZINC000126292043 1200513983 /nfs/dbraw/zinc/51/39/83/1200513983.db2.gz MTDHBDAMFGQYKA-UHFFFAOYSA-N 1 0 316.239 3.307 10 0 DGAERO CC(=O)N1CCC(CC[NH2+]Cc2ccc(Cl)cc2C)CC1 ZINC000130110213 1200811610 /nfs/dbraw/zinc/81/16/10/1200811610.db2.gz YSUZXNIIKBRLJV-UHFFFAOYSA-N 1 0 308.853 3.387 10 0 DGAERO Brc1ccsc1CNCC[NH+]1CCCCCC1 ZINC000135506195 1201205401 /nfs/dbraw/zinc/20/54/01/1201205401.db2.gz SPSXXXLFDGMYHA-UHFFFAOYSA-N 1 0 317.296 3.476 10 0 DGAERO c1nc(C2CCCC2)sc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000135831139 1201206367 /nfs/dbraw/zinc/20/63/67/1201206367.db2.gz VWHXQKNJSDJSOJ-HNNXBMFYSA-N 1 0 324.490 3.476 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000135964990 1201208203 /nfs/dbraw/zinc/20/82/03/1201208203.db2.gz MILQDMWULMGBIG-HNNXBMFYSA-N 1 0 310.482 3.010 10 0 DGAERO O[C@@H]1CC[C@@H](C[NH2+]C2CC(c3ccccc3Br)C2)C1 ZINC000227560371 1202565424 /nfs/dbraw/zinc/56/54/24/1202565424.db2.gz UEEPLBMXKKKVNG-BLYZHGLHSA-N 1 0 324.262 3.446 10 0 DGAERO O[C@H]1CC[C@H](C[NH2+]C2CC(c3ccccc3Br)C2)C1 ZINC000227560383 1202565464 /nfs/dbraw/zinc/56/54/64/1202565464.db2.gz UEEPLBMXKKKVNG-ABXWRUBCSA-N 1 0 324.262 3.446 10 0 DGAERO Cc1cc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)ccc1F ZINC000222027981 1202568117 /nfs/dbraw/zinc/56/81/17/1202568117.db2.gz ITQSUFZOLPARPG-UHFFFAOYSA-N 1 0 310.413 3.481 10 0 DGAERO Cc1ncsc1C[NH2+]CCNc1ncccc1C(F)(F)F ZINC000151109137 1202591310 /nfs/dbraw/zinc/59/13/10/1202591310.db2.gz UHCKRHSMRWATRX-UHFFFAOYSA-N 1 0 316.352 3.067 10 0 DGAERO C=CCN1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000236611721 1202614485 /nfs/dbraw/zinc/61/44/85/1202614485.db2.gz ZDDHJXUOLLTVEH-UHFFFAOYSA-N 1 0 309.251 3.189 10 0 DGAERO c1nc(N2CCOCC2)sc1C[NH2+]CCCC1CCCCC1 ZINC000236762190 1202623981 /nfs/dbraw/zinc/62/39/81/1202623981.db2.gz WTIFEZKHYJFGSE-UHFFFAOYSA-N 1 0 323.506 3.430 10 0 DGAERO CCOCCCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000236840111 1202627831 /nfs/dbraw/zinc/62/78/31/1202627831.db2.gz YOORXMVKVQMYRS-UHFFFAOYSA-N 1 0 301.814 3.264 10 0 DGAERO CN1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163437235 1203568244 /nfs/dbraw/zinc/56/82/44/1203568244.db2.gz XWTMKUXPCAIQSA-LBPRGKRZSA-N 1 0 304.331 3.418 10 0 DGAERO O=C(C[NH2+]CCc1ccc(F)cc1)Nc1cccc2cccnc21 ZINC000243852667 1203594995 /nfs/dbraw/zinc/59/49/95/1203594995.db2.gz RGAGSWKGFJWICL-UHFFFAOYSA-N 1 0 323.371 3.145 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1ccccc1 ZINC000243859309 1203595045 /nfs/dbraw/zinc/59/50/45/1203595045.db2.gz RIGBNJDXPOGCJF-UHFFFAOYSA-N 1 0 318.804 3.467 10 0 DGAERO O=C(c1ccccc1F)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000243892093 1203597684 /nfs/dbraw/zinc/59/76/84/1203597684.db2.gz RQJXEIAUQXSQCF-UHFFFAOYSA-N 1 0 316.420 3.474 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC000246155316 1203713315 /nfs/dbraw/zinc/71/33/15/1203713315.db2.gz HREDRYSCHJPIIC-UONOGXRCSA-N 1 0 311.495 3.051 10 0 DGAERO CCOC[C@@H]1CC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000247240416 1203770643 /nfs/dbraw/zinc/77/06/43/1203770643.db2.gz WTKQFOOINDQAGE-CZUORRHYSA-N 1 0 322.836 3.191 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000255089736 1203836797 /nfs/dbraw/zinc/83/67/97/1203836797.db2.gz RVKQLGLZQDVJLS-HPDHUEIVSA-N 1 0 316.445 3.088 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C(/C)c2ccc(OC)cc2)C1 ZINC000255865051 1203854813 /nfs/dbraw/zinc/85/48/13/1203854813.db2.gz LJTFKOFRSDWJQB-AKMXKPQHSA-N 1 0 316.445 3.041 10 0 DGAERO C[C@H](Cc1ccsc1)[N@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000176441283 1203931024 /nfs/dbraw/zinc/93/10/24/1203931024.db2.gz UPXVQTOZWYGJSX-OAHLLOKOSA-N 1 0 316.470 3.270 10 0 DGAERO CC(C)(CCc1ccccc1)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000262518022 1204323384 /nfs/dbraw/zinc/32/33/84/1204323384.db2.gz NSLKTGZPPSICSR-DLBZAZTESA-N 1 0 302.462 3.422 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC000262584430 1204327695 /nfs/dbraw/zinc/32/76/95/1204327695.db2.gz ZNEVYZZWSUFKLP-IAGOWNOFSA-N 1 0 300.446 3.001 10 0 DGAERO CC[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)C1CCC1 ZINC000705891301 1081796919 /nfs/dbraw/zinc/79/69/19/1081796919.db2.gz XWMNIOYVRRLCQA-HNNXBMFYSA-N 1 0 314.470 3.038 10 0 DGAERO CCCn1cncc1C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398036563 1082060925 /nfs/dbraw/zinc/06/09/25/1082060925.db2.gz NKGBZCJUSAGARA-FUHWJXTLSA-N 1 0 312.461 3.046 10 0 DGAERO C/C(=C/c1ccc(C)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000588399549 1082140766 /nfs/dbraw/zinc/14/07/66/1082140766.db2.gz ODEQVHYZYMEDFE-PEZBUJJGSA-N 1 0 300.446 3.246 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000398460932 1082153546 /nfs/dbraw/zinc/15/35/46/1082153546.db2.gz IZLJTMBJJQTUHM-NSHDSACASA-N 1 0 304.203 3.229 10 0 DGAERO C/C(=C/C(C)(C)C)C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000588503527 1082498609 /nfs/dbraw/zinc/49/86/09/1082498609.db2.gz KEAWPOQGNWEIHL-YARYAAFXSA-N 1 0 322.493 3.129 10 0 DGAERO Ic1ccccc1C[NH2+][C@H]1C=CCCC1 ZINC000308857423 1082830203 /nfs/dbraw/zinc/83/02/03/1082830203.db2.gz STXSWMGAAKOSCP-LBPRGKRZSA-N 1 0 313.182 3.490 10 0 DGAERO CNC(=O)CCC[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000398382543 1083696049 /nfs/dbraw/zinc/69/60/49/1083696049.db2.gz UYMMFOJOZCOXLL-UHFFFAOYSA-N 1 0 309.624 3.263 10 0 DGAERO CC(C)C(C[NH2+]Cc1cn(C)nc1Br)C(C)C ZINC000712482007 1085736564 /nfs/dbraw/zinc/73/65/64/1085736564.db2.gz LGDMDUIPVNGRBT-UHFFFAOYSA-N 1 0 302.260 3.200 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2Br)[C@H]1C ZINC000712477725 1085731210 /nfs/dbraw/zinc/73/12/10/1085731210.db2.gz XJPSTWQINXXJMS-JFGNBEQYSA-N 1 0 300.244 3.097 10 0 DGAERO CCN1CC[C@H]1C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000712551666 1085751969 /nfs/dbraw/zinc/75/19/69/1085751969.db2.gz ZJONYWDYOTZQJA-DOMZBBRYSA-N 1 0 311.267 3.064 10 0 DGAERO CCC(CC)(C[NH2+]Cc1cnsc1)NC(=O)OC(C)(C)C ZINC000712852310 1085830547 /nfs/dbraw/zinc/83/05/47/1085830547.db2.gz NYORPGOYAYGYEE-UHFFFAOYSA-N 1 0 313.467 3.316 10 0 DGAERO C[NH2+]C1CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC000176439449 1087759593 /nfs/dbraw/zinc/75/95/93/1087759593.db2.gz KTMWMXHWBCFXRK-KOCGSPDRSA-N 1 0 304.478 3.193 10 0 DGAERO CSC1CCC(CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC1 ZINC000720586597 1093416891 /nfs/dbraw/zinc/41/68/91/1093416891.db2.gz AMJWYUGRUBLQIU-JXQTWKCFSA-N 1 0 300.512 3.034 10 0 DGAERO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(F)F ZINC000401105477 1093936141 /nfs/dbraw/zinc/93/61/41/1093936141.db2.gz FQMZJRRTOGWNMT-QNWHQSFQSA-N 1 0 318.408 3.265 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401121681 1093936945 /nfs/dbraw/zinc/93/69/45/1093936945.db2.gz LVEVLDQSNLDXRO-JKJDWNRSSA-N 1 0 308.466 3.410 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCCOC2)C12CCCC2 ZINC000401531247 1093953467 /nfs/dbraw/zinc/95/34/67/1093953467.db2.gz QAUHUGFUJKQHFC-CABCVRRESA-N 1 0 324.465 3.077 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)CN(C(=O)OC(C)(C)C)C1 ZINC000401727760 1093968263 /nfs/dbraw/zinc/96/82/63/1093968263.db2.gz MTHHKFHJIBZMBW-ZIAGYGMSSA-N 1 0 308.422 3.057 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCC(C)(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000401724858 1093968311 /nfs/dbraw/zinc/96/83/11/1093968311.db2.gz PRWMWOIWTVODCC-NEPJUHHUSA-N 1 0 306.397 3.267 10 0 DGAERO CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)C(=O)OC(C)(C)C ZINC000403649955 1094159797 /nfs/dbraw/zinc/15/97/97/1094159797.db2.gz UIVKZNGLYLMYTD-AGUYFDCRSA-N 1 0 314.495 3.260 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C12CCC2 ZINC000404442776 1094258255 /nfs/dbraw/zinc/25/82/55/1094258255.db2.gz LPOIXRAAUSDCHA-OLZOCXBDSA-N 1 0 323.462 3.069 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccns2)C12CCC2 ZINC000404442779 1094258579 /nfs/dbraw/zinc/25/85/79/1094258579.db2.gz LPOIXRAAUSDCHA-STQMWFEESA-N 1 0 323.462 3.069 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]Cc2ccns2)CCN1C(=O)OC(C)(C)C ZINC000404460248 1094258614 /nfs/dbraw/zinc/25/86/14/1094258614.db2.gz SRAZBDKSGSYVRN-RYUDHWBXSA-N 1 0 311.451 3.021 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+][C@@H]2CCCSC2)CC1 ZINC000404690312 1094265899 /nfs/dbraw/zinc/26/58/99/1094265899.db2.gz RRIOGSKWWDKTFB-CYBMUJFWSA-N 1 0 314.495 3.167 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C\C2CC2)C12CCC2 ZINC000405220891 1094309823 /nfs/dbraw/zinc/30/98/23/1094309823.db2.gz MODLOZXRWNLAQQ-FAKDPMAQSA-N 1 0 306.450 3.378 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000405925465 1094456888 /nfs/dbraw/zinc/45/68/88/1094456888.db2.gz JCMVJQZNFRUENB-ZDUSSCGKSA-N 1 0 322.453 3.070 10 0 DGAERO Cc1nn(C)c2ncc(C[NH2+][C@H]3CCCc4c(O)cccc43)cc12 ZINC000191657403 1094670584 /nfs/dbraw/zinc/67/05/84/1094670584.db2.gz ILHDHXUNGRPAET-KRWDZBQOSA-N 1 0 322.412 3.150 10 0 DGAERO CSC1(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000721907745 1098155193 /nfs/dbraw/zinc/15/51/93/1098155193.db2.gz XSKOPJXWPNGUKT-LBPRGKRZSA-N 1 0 314.495 3.117 10 0 DGAERO CCC[NH2+][C@@H](CNC(=O)c1cscc1C(F)F)C1CC1 ZINC000722124562 1098638312 /nfs/dbraw/zinc/63/83/12/1098638312.db2.gz QDSITXIFCGLZOW-LBPRGKRZSA-N 1 0 302.390 3.194 10 0 DGAERO CCCCOCC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724106992 1106627794 /nfs/dbraw/zinc/62/77/94/1106627794.db2.gz SUXARFMXFWDTRG-HUUCEWRRSA-N 1 0 314.470 3.086 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)[C@H](C)O1 ZINC000379632416 1108032861 /nfs/dbraw/zinc/03/28/61/1108032861.db2.gz SLIWBSKZABOXBV-JFRXWTBNSA-N 1 0 302.462 3.197 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)[C@@H](C)O1 ZINC000379632421 1108032927 /nfs/dbraw/zinc/03/29/27/1108032927.db2.gz SLIWBSKZABOXBV-RWQQGDIJSA-N 1 0 302.462 3.197 10 0 DGAERO C[C@H](CCOCc1ccccc1)[NH2+]CCC(=O)OC(C)(C)C ZINC000389676995 1108659441 /nfs/dbraw/zinc/65/94/41/1108659441.db2.gz DTAGSUYRPCUDIL-OAHLLOKOSA-N 1 0 307.434 3.303 10 0 DGAERO c1ccc(COCCC[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000390233071 1108669068 /nfs/dbraw/zinc/66/90/68/1108669068.db2.gz IRWTVBREWSICGR-UHFFFAOYSA-N 1 0 313.397 3.154 10 0 DGAERO Cc1csc2nc(C)c(C[NH2+]CCc3scnc3C)n12 ZINC000391114103 1108685659 /nfs/dbraw/zinc/68/56/59/1108685659.db2.gz HMMIIMZAYLDLBR-UHFFFAOYSA-N 1 0 306.460 3.110 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C1(C)C ZINC000701725854 1108981299 /nfs/dbraw/zinc/98/12/99/1108981299.db2.gz SMNMZZUWWYFXLY-FIXISWKDSA-N 1 0 318.408 3.313 10 0 DGAERO COc1ccccc1[C@@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000103074758 432002760 /nfs/dbraw/zinc/00/27/60/432002760.db2.gz QVXREUCGAWGMHR-JKSUJKDBSA-N 1 0 320.477 3.281 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(-c2cccnc2)cc1 ZINC000181285217 199275519 /nfs/dbraw/zinc/27/55/19/199275519.db2.gz KLCFUUVLWWQKGP-CQSZACIVSA-N 1 0 309.413 3.020 10 0 DGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1cccnc1 ZINC000062649496 432004465 /nfs/dbraw/zinc/00/44/65/432004465.db2.gz MOVCEMHQXZMRJS-GOSISDBHSA-N 1 0 324.428 3.258 10 0 DGAERO Cc1cc(C)c([C@@H](O)[C@@H]2CCC[NH2+]C2)c(C)c1Br ZINC000083161608 185215029 /nfs/dbraw/zinc/21/50/29/185215029.db2.gz UWVZTXOKGGTLOW-DOMZBBRYSA-N 1 0 312.251 3.407 10 0 DGAERO CCc1cc(C)c(C(=O)N(CC[NH+](C)C)c2ccccc2)o1 ZINC000155780189 529523053 /nfs/dbraw/zinc/52/30/53/529523053.db2.gz HMXUQODMBHRJQW-UHFFFAOYSA-N 1 0 300.402 3.359 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3nc(C)cs3)C2)c1 ZINC000088604039 185259598 /nfs/dbraw/zinc/25/95/98/185259598.db2.gz KHUYHWYGQLRBOC-CYBMUJFWSA-N 1 0 318.442 3.458 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CC=CCC2)cc(Br)c1O ZINC000088747909 185264015 /nfs/dbraw/zinc/26/40/15/185264015.db2.gz JUZCPLDXVQTWAS-LLVKDONJSA-N 1 0 312.207 3.362 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(-c2cccnc2)cc1 ZINC000181320592 199280760 /nfs/dbraw/zinc/28/07/60/199280760.db2.gz UKMXGYYSICRWKA-CQSZACIVSA-N 1 0 311.429 3.314 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cnc(C)s2)C1 ZINC000090419300 185295402 /nfs/dbraw/zinc/29/54/02/185295402.db2.gz VECOUFIXAABDMD-GXTWGEPZSA-N 1 0 317.458 3.390 10 0 DGAERO CCn1cc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)cn1 ZINC000092405726 185316671 /nfs/dbraw/zinc/31/66/71/185316671.db2.gz DLGKSJAGNWFODH-UHFFFAOYSA-N 1 0 324.472 3.178 10 0 DGAERO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCc2ccccc21 ZINC000092533842 185324692 /nfs/dbraw/zinc/32/46/92/185324692.db2.gz JWIAOGXKZJXXHT-UHFFFAOYSA-N 1 0 310.397 3.081 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(Br)c1 ZINC000092664773 185332587 /nfs/dbraw/zinc/33/25/87/185332587.db2.gz LTVRWHFDRQMEGW-OAHLLOKOSA-N 1 0 311.267 3.365 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(Br)cc1 ZINC000092664881 185332757 /nfs/dbraw/zinc/33/27/57/185332757.db2.gz WMCXVTHJEMJTMU-OAHLLOKOSA-N 1 0 311.267 3.365 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cccnc1 ZINC000092767553 185338943 /nfs/dbraw/zinc/33/89/43/185338943.db2.gz YKGCEQOGQKODEI-OCCSQVGLSA-N 1 0 302.809 3.060 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)ccc1Cl ZINC000092757593 185338709 /nfs/dbraw/zinc/33/87/09/185338709.db2.gz KPOAOSVKFGEJDD-CMPLNLGQSA-N 1 0 311.788 3.180 10 0 DGAERO COCc1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000092812590 185343667 /nfs/dbraw/zinc/34/36/67/185343667.db2.gz WBBIZWKMIFUZPQ-GOSISDBHSA-N 1 0 311.429 3.162 10 0 DGAERO Cc1ncc(C[NH+]2CCC(c3cc[nH]n3)CC2)n1-c1ccccc1 ZINC000092810841 185342937 /nfs/dbraw/zinc/34/29/37/185342937.db2.gz HFNBKPLMPZVWGZ-UHFFFAOYSA-N 1 0 321.428 3.283 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1cccnc1 ZINC000181404190 199291577 /nfs/dbraw/zinc/29/15/77/199291577.db2.gz RDCSSYOZLKEDAU-CQSZACIVSA-N 1 0 311.429 3.496 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCOC2=O)cc1 ZINC000181406489 199291892 /nfs/dbraw/zinc/29/18/92/199291892.db2.gz AFCNTZOGMWURCJ-GDBMZVCRSA-N 1 0 305.418 3.325 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](O)COC(C)C)cc1 ZINC000181394865 199290144 /nfs/dbraw/zinc/29/01/44/199290144.db2.gz AMBWQTPQDPVIMW-RDJZCZTQSA-N 1 0 309.450 3.158 10 0 DGAERO C[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1cccc(Cl)c1 ZINC000181418328 199294221 /nfs/dbraw/zinc/29/42/21/199294221.db2.gz FIGLSPNWYFXMES-JTQLQIEISA-N 1 0 309.822 3.110 10 0 DGAERO O=C(NCCc1ccsc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000063916325 432007223 /nfs/dbraw/zinc/00/72/23/432007223.db2.gz VNCHFVWOUXAMTD-UHFFFAOYSA-N 1 0 314.454 3.316 10 0 DGAERO Cc1ccc(CC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000181528811 199311498 /nfs/dbraw/zinc/31/14/98/199311498.db2.gz NDSKZFFJAKJHOI-CABCVRRESA-N 1 0 320.502 3.368 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CCn1cnc2ccccc2c1=O ZINC000181537867 199313683 /nfs/dbraw/zinc/31/36/83/199313683.db2.gz NTIGLBYQSJGKJV-HNNXBMFYSA-N 1 0 307.397 3.056 10 0 DGAERO CC(C)[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000181607842 199325848 /nfs/dbraw/zinc/32/58/48/199325848.db2.gz FLMSFQSEIPLNPT-RHSMWYFYSA-N 1 0 313.388 3.447 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000181616349 199328256 /nfs/dbraw/zinc/32/82/56/199328256.db2.gz HLGDTBOBKRSJMV-YOEHRIQHSA-N 1 0 302.418 3.284 10 0 DGAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000181656048 199333985 /nfs/dbraw/zinc/33/39/85/199333985.db2.gz KOJLTIQCQYYDKG-JIGPKXGUSA-N 1 0 322.518 3.195 10 0 DGAERO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000434906673 529860110 /nfs/dbraw/zinc/86/01/10/529860110.db2.gz XNQZAJGTPDVEJU-HXUWFJFHSA-N 1 0 314.473 3.200 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1c1cccs1 ZINC000046280778 190674989 /nfs/dbraw/zinc/67/49/89/190674989.db2.gz IDVVXPPRCAMQPZ-ZIAGYGMSSA-N 1 0 309.479 3.325 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)[NH2+]CC(=O)NC2CC2)cc1 ZINC000181734891 199345158 /nfs/dbraw/zinc/34/51/58/199345158.db2.gz QMAOYMPYFLHEPQ-AWEZNQCLSA-N 1 0 304.434 3.041 10 0 DGAERO COC[C@@H](C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl)OC ZINC000227713453 201805928 /nfs/dbraw/zinc/80/59/28/201805928.db2.gz GUIUGYWPXYNTGM-RKDXNWHRSA-N 1 0 310.196 3.445 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000130063451 432013978 /nfs/dbraw/zinc/01/39/78/432013978.db2.gz MJUCEWDGTJRYJC-ZDUSSCGKSA-N 1 0 315.442 3.206 10 0 DGAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ccc(Br)cc2)no1 ZINC000104068652 432014158 /nfs/dbraw/zinc/01/41/58/432014158.db2.gz PFNQQPYQOYTUGE-LLVKDONJSA-N 1 0 310.195 3.025 10 0 DGAERO CC(C)[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000181985161 199370668 /nfs/dbraw/zinc/37/06/68/199370668.db2.gz SWILONKJIRNEDR-SJKOYZFVSA-N 1 0 310.388 3.262 10 0 DGAERO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000181990967 199371846 /nfs/dbraw/zinc/37/18/46/199371846.db2.gz CUZHCMSGQSNYOH-GFCCVEGCSA-N 1 0 316.376 3.127 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000279663270 215042953 /nfs/dbraw/zinc/04/29/53/215042953.db2.gz DOTVHWHSYQJUMM-SOUVJXGZSA-N 1 0 319.449 3.378 10 0 DGAERO CCc1sc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1C ZINC000130252181 432018245 /nfs/dbraw/zinc/01/82/45/432018245.db2.gz KVQBOGFUURETGS-UHFFFAOYSA-N 1 0 308.491 3.469 10 0 DGAERO C[C@@H](CNC(=O)N(Cc1ccco1)C1CCCC1)[N@H+](C)C1CC1 ZINC000105263389 432018879 /nfs/dbraw/zinc/01/88/79/432018879.db2.gz LLWWIGBCXVULTE-AWEZNQCLSA-N 1 0 319.449 3.217 10 0 DGAERO OCc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1F ZINC000181991074 199371933 /nfs/dbraw/zinc/37/19/33/199371933.db2.gz UHJHYOBPMTWRQS-KRWDZBQOSA-N 1 0 319.351 3.461 10 0 DGAERO Cc1ccccc1SCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123678684 185832568 /nfs/dbraw/zinc/83/25/68/185832568.db2.gz GSABPZYIJRIRBC-HUUCEWRRSA-N 1 0 306.475 3.028 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCc2ccccn2)c1 ZINC000066695806 432020051 /nfs/dbraw/zinc/02/00/51/432020051.db2.gz VTGVLVGEBRROPH-GOSISDBHSA-N 1 0 312.413 3.478 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279762767 215125824 /nfs/dbraw/zinc/12/58/24/215125824.db2.gz RNLXGLLZVBNZPV-DZGCQCFKSA-N 1 0 320.433 3.127 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000037321055 545672730 /nfs/dbraw/zinc/67/27/30/545672730.db2.gz YVEYZNMICBARQI-NWDGAFQWSA-N 1 0 305.752 3.335 10 0 DGAERO CSC[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000066767529 432021271 /nfs/dbraw/zinc/02/12/71/432021271.db2.gz DAORRMUCAGMEQV-RDJZCZTQSA-N 1 0 320.502 3.156 10 0 DGAERO CC(C)c1nc(NC[C@@H]2CCC[NH2+]C2)cc(-c2ccccn2)n1 ZINC000070456369 190896790 /nfs/dbraw/zinc/89/67/90/190896790.db2.gz XOQSGSQBWJDRGU-CQSZACIVSA-N 1 0 311.433 3.074 10 0 DGAERO NC(=[NH2+])c1ccccc1COCc1ccc(Br)cc1 ZINC000071422907 190968855 /nfs/dbraw/zinc/96/88/55/190968855.db2.gz ODZRAJZFJAJZKA-UHFFFAOYSA-N 1 0 319.202 3.450 10 0 DGAERO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)sc2cccc(F)c12 ZINC000170857766 197838142 /nfs/dbraw/zinc/83/81/42/197838142.db2.gz JASRDWDRSIUVED-LLVKDONJSA-N 1 0 306.406 3.125 10 0 DGAERO C[NH2+][C@H]1CCCN(C(=O)c2ccccc2COc2ccccc2)C1 ZINC000133652452 186003692 /nfs/dbraw/zinc/00/36/92/186003692.db2.gz HHTJOFFYCHRCGE-KRWDZBQOSA-N 1 0 324.424 3.090 10 0 DGAERO Oc1cccc(-c2cc(NC3CC[NH2+]CC3)nc3[nH]ccc32)c1 ZINC000072151768 191055227 /nfs/dbraw/zinc/05/52/27/191055227.db2.gz DQFNCKSQTSVLCB-UHFFFAOYSA-N 1 0 308.385 3.099 10 0 DGAERO Nc1ccccc1CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000142849934 186032805 /nfs/dbraw/zinc/03/28/05/186032805.db2.gz CNYQVNWECNEWJI-UHFFFAOYSA-N 1 0 309.457 3.066 10 0 DGAERO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000152398915 186068558 /nfs/dbraw/zinc/06/85/58/186068558.db2.gz KZVQDMHKAGOFQW-DGCLKSJQSA-N 1 0 310.825 3.010 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152490684 186078648 /nfs/dbraw/zinc/07/86/48/186078648.db2.gz HVQJKKQLBSZFMC-RDJZCZTQSA-N 1 0 318.461 3.383 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(SC(F)F)cc1 ZINC000155696565 186104233 /nfs/dbraw/zinc/10/42/33/186104233.db2.gz XRYMFLKABXBYCD-GHMZBOCLSA-N 1 0 314.401 3.166 10 0 DGAERO CC(=O)CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000155729574 186107603 /nfs/dbraw/zinc/10/76/03/186107603.db2.gz RZQMYHMMSCBWHI-UHFFFAOYSA-N 1 0 304.217 3.157 10 0 DGAERO CCc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000171503915 186170147 /nfs/dbraw/zinc/17/01/47/186170147.db2.gz QGZJQVZSUIFMGX-KRWDZBQOSA-N 1 0 301.434 3.341 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000173302201 186174225 /nfs/dbraw/zinc/17/42/25/186174225.db2.gz SFGATZNMTWRMJE-XJKSGUPXSA-N 1 0 323.868 3.007 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(C)(C)c2ccccc2F)C1 ZINC000164156438 186150874 /nfs/dbraw/zinc/15/08/74/186150874.db2.gz XWIBFJMQXUBEMZ-RHSMWYFYSA-N 1 0 318.436 3.046 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000164266694 186154083 /nfs/dbraw/zinc/15/40/83/186154083.db2.gz JPXCAGNFZLVPQF-WDEREUQCSA-N 1 0 304.253 3.151 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1OC ZINC000173347444 186178992 /nfs/dbraw/zinc/17/89/92/186178992.db2.gz VUPFACNKKBPMJO-GFCCVEGCSA-N 1 0 319.376 3.186 10 0 DGAERO Cc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000106916988 432025299 /nfs/dbraw/zinc/02/52/99/432025299.db2.gz LMQKHUHENWQZLA-KRWDZBQOSA-N 1 0 316.470 3.188 10 0 DGAERO C[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000188030080 186246351 /nfs/dbraw/zinc/24/63/51/186246351.db2.gz SCGCMHVPVRUXLJ-HOCLYGCPSA-N 1 0 304.434 3.443 10 0 DGAERO CCn1cnnc1C1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000171643948 197959758 /nfs/dbraw/zinc/95/97/58/197959758.db2.gz YIRIQYAFCBVUEF-UHFFFAOYSA-N 1 0 304.463 3.356 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccccc1F)CC2 ZINC000171981216 198019994 /nfs/dbraw/zinc/01/99/94/198019994.db2.gz HDOGXIGXXTVUKC-STQMWFEESA-N 1 0 302.397 3.206 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccccc1F)CC2 ZINC000171981225 198020165 /nfs/dbraw/zinc/02/01/65/198020165.db2.gz HDOGXIGXXTVUKC-OLZOCXBDSA-N 1 0 302.397 3.206 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)CC2 ZINC000171981295 198020346 /nfs/dbraw/zinc/02/03/46/198020346.db2.gz FQJYNPUGDKKBHN-DGCLKSJQSA-N 1 0 320.387 3.345 10 0 DGAERO CC[C@H](C)[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000172143320 198046523 /nfs/dbraw/zinc/04/65/23/198046523.db2.gz QPHSLHHOSAUPTN-STQMWFEESA-N 1 0 309.429 3.121 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000172169809 198051985 /nfs/dbraw/zinc/05/19/85/198051985.db2.gz VAOQWFKDZNIYLO-QWHCGFSZSA-N 1 0 302.418 3.385 10 0 DGAERO Oc1cccc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000072453546 191171206 /nfs/dbraw/zinc/17/12/06/191171206.db2.gz HUHWBFSOKITEJH-HXUWFJFHSA-N 1 0 322.452 3.067 10 0 DGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000487269997 282817664 /nfs/dbraw/zinc/81/76/64/282817664.db2.gz IZYZTPHFULIFTE-IJLUTSLNSA-N 1 0 312.255 3.241 10 0 DGAERO Cc1ccc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cc(C)on2)o1 ZINC000172870202 198160528 /nfs/dbraw/zinc/16/05/28/198160528.db2.gz ROMIJMZCYHBYNW-AWEZNQCLSA-N 1 0 317.389 3.440 10 0 DGAERO Cc1ccccc1NC(=O)CC[NH+]1CCC(OCC(C)C)CC1 ZINC000173234316 198198644 /nfs/dbraw/zinc/19/86/44/198198644.db2.gz UFNVXOSKSWZPDP-UHFFFAOYSA-N 1 0 318.461 3.461 10 0 DGAERO CCOC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000072976797 191260138 /nfs/dbraw/zinc/26/01/38/191260138.db2.gz MXQMSRCKWYIBSM-OAHLLOKOSA-N 1 0 315.417 3.294 10 0 DGAERO CSc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2)cc1 ZINC000173359513 198206617 /nfs/dbraw/zinc/20/66/17/198206617.db2.gz UWCYHRYMUBKSNA-AWEZNQCLSA-N 1 0 314.454 3.489 10 0 DGAERO C[NH+](C)C1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000107367642 432030954 /nfs/dbraw/zinc/03/09/54/432030954.db2.gz SPOKBWOLVJQAEN-UHFFFAOYSA-N 1 0 316.367 3.110 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H](C)c2cccc(Br)c2)c1 ZINC000173397955 198210447 /nfs/dbraw/zinc/21/04/47/198210447.db2.gz WIKMONMKIAQKDQ-LBPRGKRZSA-N 1 0 308.223 3.305 10 0 DGAERO Cc1ccoc1C(=O)NCCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182064833 199381185 /nfs/dbraw/zinc/38/11/85/199381185.db2.gz ICXGXPDOQSGULE-HNNXBMFYSA-N 1 0 314.429 3.176 10 0 DGAERO C[C@@H](CCOc1ccccc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000073018546 191269421 /nfs/dbraw/zinc/26/94/21/191269421.db2.gz BDESFNGGPALLAJ-IRXDYDNUSA-N 1 0 318.461 3.082 10 0 DGAERO C[C@H](C[NH2+]Cc1ccc(-n2cncn2)cc1)Cc1ccccc1 ZINC000182067332 199382223 /nfs/dbraw/zinc/38/22/23/199382223.db2.gz YTQWYUAVRZKOFN-INIZCTEOSA-N 1 0 306.413 3.236 10 0 DGAERO CCCOc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000174251341 198310984 /nfs/dbraw/zinc/31/09/84/198310984.db2.gz HBIDNYSMRRZCKF-ALOPSCKCSA-N 1 0 316.445 3.221 10 0 DGAERO C[C@]1(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1(Cl)Cl ZINC000107527948 432033388 /nfs/dbraw/zinc/03/33/88/432033388.db2.gz ONYZBCKOYZMBCH-GXTWGEPZSA-N 1 0 319.276 3.047 10 0 DGAERO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000182123003 199389750 /nfs/dbraw/zinc/38/97/50/199389750.db2.gz ZIOIGXFWZRTPRP-DYVFJYSZSA-N 1 0 310.388 3.262 10 0 DGAERO Cc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000107531372 432033698 /nfs/dbraw/zinc/03/36/98/432033698.db2.gz BDIVXMBKCVMMKS-QGZVFWFLSA-N 1 0 300.446 3.394 10 0 DGAERO C[NH+]1CCC(CCNC(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC000176171663 198553841 /nfs/dbraw/zinc/55/38/41/198553841.db2.gz MGDBXMAWGWGUGY-NSCUHMNNSA-N 1 0 304.409 3.077 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)c(Cl)c1 ZINC000131488148 432038267 /nfs/dbraw/zinc/03/82/67/432038267.db2.gz WBIRXVRYLBDJCB-QWHCGFSZSA-N 1 0 310.800 3.178 10 0 DGAERO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000131828184 432039392 /nfs/dbraw/zinc/03/93/92/432039392.db2.gz JLNYGCCFMZTMLC-LJQANCHMSA-N 1 0 321.428 3.251 10 0 DGAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000107824310 432041757 /nfs/dbraw/zinc/04/17/57/432041757.db2.gz IINNYDUKLKLXPR-WMZOPIPTSA-N 1 0 315.461 3.408 10 0 DGAERO C[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000131600488 432042838 /nfs/dbraw/zinc/04/28/38/432042838.db2.gz BPQBXFDRZGOQEM-NJAFHUGGSA-N 1 0 305.462 3.288 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000073414476 191313747 /nfs/dbraw/zinc/31/37/47/191313747.db2.gz ACGPTCYZRAGSHH-JKSUJKDBSA-N 1 0 303.450 3.182 10 0 DGAERO CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179134599 432044285 /nfs/dbraw/zinc/04/42/85/432044285.db2.gz MKOLUVINDGBSHL-XJNFMUPTSA-N 1 0 303.450 3.166 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C)c1Cl ZINC000179136523 432045135 /nfs/dbraw/zinc/04/51/35/432045135.db2.gz FOMUJEDGGSCLPH-UONOGXRCSA-N 1 0 306.837 3.347 10 0 DGAERO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(Cl)cc1F ZINC000132117525 432045380 /nfs/dbraw/zinc/04/53/80/432045380.db2.gz WMEABIKXSLJMCP-NHYWBVRUSA-N 1 0 312.816 3.200 10 0 DGAERO CCc1nc(-c2ccc(C)cc2)nc(N2CCC([NH3+])CC2)c1C ZINC000073663116 191339352 /nfs/dbraw/zinc/33/93/52/191339352.db2.gz MCHNFGNGDXBAFO-UHFFFAOYSA-N 1 0 310.445 3.250 10 0 DGAERO CCc1nc(-c2ccc(C)cc2)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000073685146 191341306 /nfs/dbraw/zinc/34/13/06/191341306.db2.gz KEMFCQZEFXZFLB-INIZCTEOSA-N 1 0 310.445 3.487 10 0 DGAERO CC[C@@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000074792846 191362059 /nfs/dbraw/zinc/36/20/59/191362059.db2.gz CXOVCJCLPXBAMP-MGNMYUMUSA-N 1 0 307.482 3.223 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)C/C=C\c1cccc(F)c1 ZINC000255910334 295902008 /nfs/dbraw/zinc/90/20/08/295902008.db2.gz AOEVNRUGEZVDCF-LYASGUKUSA-N 1 0 304.409 3.220 10 0 DGAERO CCCN(C(=O)[C@H]1C[C@@H]1c1ccccc1C)C1CC[NH2+]CC1 ZINC000236824073 202026100 /nfs/dbraw/zinc/02/61/00/202026100.db2.gz RHQRXEFCXHJKKS-MSOLQXFVSA-N 1 0 300.446 3.089 10 0 DGAERO NC(=O)N1CCC([NH2+][C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000164532188 432049075 /nfs/dbraw/zinc/04/90/75/432049075.db2.gz PTTNLSHWXYVOSC-KRWDZBQOSA-N 1 0 301.434 3.051 10 0 DGAERO CC(C)(CCC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000179193954 432049201 /nfs/dbraw/zinc/04/92/01/432049201.db2.gz MMOMDJOMIUCQSY-UHFFFAOYSA-N 1 0 314.473 3.441 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132608368 432051840 /nfs/dbraw/zinc/05/18/40/432051840.db2.gz KOOBJISICRWTSS-NXHRZFHOSA-N 1 0 323.502 3.153 10 0 DGAERO COc1ccc([C@@H](C)NCc2nccn2CC(C)C)c(OC)c1 ZINC000164837898 432052044 /nfs/dbraw/zinc/05/20/44/432052044.db2.gz UHWRFLJWCSMUQQ-CQSZACIVSA-N 1 0 317.433 3.407 10 0 DGAERO COc1ccc2oc(C[NH2+]Cc3ccc(CO)c(F)c3)cc2c1 ZINC000179294443 432052885 /nfs/dbraw/zinc/05/28/85/432052885.db2.gz OTYUZJWHANHZTO-UHFFFAOYSA-N 1 0 315.344 3.363 10 0 DGAERO CCCC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(OC)cc1 ZINC000165030059 432053392 /nfs/dbraw/zinc/05/33/92/432053392.db2.gz HZXIWSNVEHGZEJ-QGZVFWFLSA-N 1 0 319.449 3.059 10 0 DGAERO CCC[C@@H](C(=O)NCc1csc(-c2ccccc2)n1)[NH+](C)C ZINC000179314955 432054148 /nfs/dbraw/zinc/05/41/48/432054148.db2.gz WZVRVKAOFBQLEN-HNNXBMFYSA-N 1 0 317.458 3.157 10 0 DGAERO Cc1cccc(CCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000080718576 192185551 /nfs/dbraw/zinc/18/55/51/192185551.db2.gz ZCHZZENTJACLJB-AYHJJNSGSA-N 1 0 300.446 3.059 10 0 DGAERO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000179308686 432053845 /nfs/dbraw/zinc/05/38/45/432053845.db2.gz FWIVTHZJGJOCBY-INIZCTEOSA-N 1 0 316.376 3.186 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000184311439 199702081 /nfs/dbraw/zinc/70/20/81/199702081.db2.gz HGDCNYCAZLPPPO-KGLIPLIRSA-N 1 0 318.442 3.205 10 0 DGAERO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000183604164 291099268 /nfs/dbraw/zinc/09/92/68/291099268.db2.gz LDAAKMZPBFTQHQ-UONOGXRCSA-N 1 0 305.418 3.468 10 0 DGAERO CCOC[C@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000081519381 192278849 /nfs/dbraw/zinc/27/88/49/192278849.db2.gz SJIZUBDKFGEOCX-ZDUSSCGKSA-N 1 0 304.365 3.339 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1 ZINC000166475850 432060730 /nfs/dbraw/zinc/06/07/30/432060730.db2.gz RDOAVTFWTOQLMJ-IEBWSBKVSA-N 1 0 312.461 3.438 10 0 DGAERO C[NH2+]C1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000237066483 202140591 /nfs/dbraw/zinc/14/05/91/202140591.db2.gz ONFQPNQSNNPUQK-UHFFFAOYSA-N 1 0 312.866 3.033 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000237089431 202149978 /nfs/dbraw/zinc/14/99/78/202149978.db2.gz RIIOZHXJMGHFNS-UHFFFAOYSA-N 1 0 314.385 3.066 10 0 DGAERO Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000237130136 202160133 /nfs/dbraw/zinc/16/01/33/202160133.db2.gz AXTHTJRMBRIABQ-NVXWUHKLSA-N 1 0 302.462 3.249 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cnccn2)cc1 ZINC000166678384 432061790 /nfs/dbraw/zinc/06/17/90/432061790.db2.gz CQBXYEHBPRGGTP-UONOGXRCSA-N 1 0 307.401 3.383 10 0 DGAERO CCc1ccc(C(C)(C)CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000237150575 202168349 /nfs/dbraw/zinc/16/83/49/202168349.db2.gz IVMISDAGNBEMCP-DOTOQJQBSA-N 1 0 302.462 3.160 10 0 DGAERO Cc1cc(N2CCO[C@H](c3ccco3)C2)nc(-c2ccncc2)n1 ZINC000133378014 432061710 /nfs/dbraw/zinc/06/17/10/432061710.db2.gz KKLQCDWVYYQJHV-INIZCTEOSA-N 1 0 322.368 3.018 10 0 DGAERO CCOC(=O)C1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000237163410 202172048 /nfs/dbraw/zinc/17/20/48/202172048.db2.gz MFWABCARCVJIMU-OPFPJEHXSA-N 1 0 319.401 3.188 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000237167499 202174077 /nfs/dbraw/zinc/17/40/77/202174077.db2.gz XIOLFUYYLMYECV-OALUTQOASA-N 1 0 308.425 3.154 10 0 DGAERO COCCCN(C)CC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000166778906 432062839 /nfs/dbraw/zinc/06/28/39/432062839.db2.gz OBDFKMBGSPQBBY-SFHVURJKSA-N 1 0 320.477 3.075 10 0 DGAERO COCCCN(C)CC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000166779022 432063392 /nfs/dbraw/zinc/06/33/92/432063392.db2.gz OBDFKMBGSPQBBY-GOSISDBHSA-N 1 0 320.477 3.075 10 0 DGAERO CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237214806 202192690 /nfs/dbraw/zinc/19/26/90/202192690.db2.gz LKKZFPXWERUHMZ-JQFCIGGWSA-N 1 0 312.413 3.312 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179645442 432065344 /nfs/dbraw/zinc/06/53/44/432065344.db2.gz MTTBKQQFIPLMHD-AWEZNQCLSA-N 1 0 324.900 3.257 10 0 DGAERO C[C@@H]1C[C@@H](Nc2nn3cc(C(C)(C)C)nc3s2)C[N@@H+]1C1CC1 ZINC000133516341 432065353 /nfs/dbraw/zinc/06/53/53/432065353.db2.gz VDIPVLKODRWUMR-GHMZBOCLSA-N 1 0 319.478 3.125 10 0 DGAERO O=C(Nc1cccc2c1C[NH2+]CC2)c1ccc(Cl)cc1F ZINC000167354828 432065794 /nfs/dbraw/zinc/06/57/94/432065794.db2.gz JBWVBFGYOCDSIH-UHFFFAOYSA-N 1 0 304.752 3.377 10 0 DGAERO Cc1nn(-c2ccccc2)c(C)c1CN1CCC[N@@H+](C2CC2)CC1 ZINC000179729532 432069367 /nfs/dbraw/zinc/06/93/67/432069367.db2.gz HVQAEIDZWOTUBI-UHFFFAOYSA-N 1 0 324.472 3.159 10 0 DGAERO CC[C@@H](C(=O)N[C@H]1CCCOc2c(Cl)cccc21)[NH+](C)C ZINC000179759573 432070165 /nfs/dbraw/zinc/07/01/65/432070165.db2.gz GXMDIEVQWOTMJT-KBPBESRZSA-N 1 0 310.825 3.010 10 0 DGAERO CCn1nccc1CN1CCc2cccc(Br)c2C1 ZINC000179754197 432070188 /nfs/dbraw/zinc/07/01/88/432070188.db2.gz VRNFUXVLQLJLTJ-UHFFFAOYSA-N 1 0 320.234 3.224 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178681198 198910280 /nfs/dbraw/zinc/91/02/80/198910280.db2.gz FALZYFBYVGOYLI-PXARDIRTSA-N 1 0 310.507 3.051 10 0 DGAERO CC[C@H](C)CN(CC)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000178700322 198914173 /nfs/dbraw/zinc/91/41/73/198914173.db2.gz DRVCTPQUQOUSSX-AWEZNQCLSA-N 1 0 323.456 3.465 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)C1CCOCC1 ZINC000179841363 432071729 /nfs/dbraw/zinc/07/17/29/432071729.db2.gz NIJQWJVIZRFDOE-AWEZNQCLSA-N 1 0 318.461 3.155 10 0 DGAERO CC(C)N(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000179464279 199040347 /nfs/dbraw/zinc/04/03/47/199040347.db2.gz IPSLAVORRROYQN-IAGOWNOFSA-N 1 0 301.434 3.014 10 0 DGAERO O[C@H](CN1CC[NH+](CC2CCCCCC2)CC1)c1ccccc1 ZINC000179503063 199046454 /nfs/dbraw/zinc/04/64/54/199046454.db2.gz NSMGBFDDMMYOAP-HXUWFJFHSA-N 1 0 316.489 3.308 10 0 DGAERO c1cnn(CC2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000179531824 199051532 /nfs/dbraw/zinc/05/15/32/199051532.db2.gz RPEAIDCFOGQBOE-UHFFFAOYSA-N 1 0 321.428 3.185 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000179879469 199090703 /nfs/dbraw/zinc/09/07/03/199090703.db2.gz WXESDLBRGMZPQH-ZDUSSCGKSA-N 1 0 322.815 3.470 10 0 DGAERO CCc1nnc(C[NH2+][C@H](CC)C(C)(C)c2ccccc2)n1C ZINC000180003508 199105890 /nfs/dbraw/zinc/10/58/90/199105890.db2.gz RIPYBXJSAHHIPM-OAHLLOKOSA-N 1 0 300.450 3.224 10 0 DGAERO Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180111194 199118190 /nfs/dbraw/zinc/11/81/90/199118190.db2.gz VFNFNGTWQLKTRN-QZTJIDSGSA-N 1 0 312.388 3.309 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)CSC(C)(C)C)[C@H]1c1ccccc1 ZINC000180143150 199121847 /nfs/dbraw/zinc/12/18/47/199121847.db2.gz BZPPNAAECAGORD-GOEBONIOSA-N 1 0 306.475 3.080 10 0 DGAERO O=C(CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)c1ccccc1 ZINC000180146615 199122841 /nfs/dbraw/zinc/12/28/41/199122841.db2.gz DGJDCAJRJINNDT-INIZCTEOSA-N 1 0 324.428 3.065 10 0 DGAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000237398384 202254908 /nfs/dbraw/zinc/25/49/08/202254908.db2.gz ZYKWCRUHAHVRPJ-ABAIWWIYSA-N 1 0 314.351 3.272 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)no1 ZINC000180725498 199201444 /nfs/dbraw/zinc/20/14/44/199201444.db2.gz JRPUNNOFOUSUAJ-SECBINFHSA-N 1 0 311.744 3.065 10 0 DGAERO O=C1CCCN1CCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180769721 199207153 /nfs/dbraw/zinc/20/71/53/199207153.db2.gz DOUFXMKLJFRXNY-UHFFFAOYSA-N 1 0 314.385 3.174 10 0 DGAERO c1nnc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)n1C1CC1 ZINC000180878203 199223057 /nfs/dbraw/zinc/22/30/57/199223057.db2.gz HJEZERUEUDFYIB-GOSISDBHSA-N 1 0 322.456 3.481 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)ccc1O ZINC000180093649 432078613 /nfs/dbraw/zinc/07/86/13/432078613.db2.gz VTRDTDPEOXQGDU-ZBFHGGJFSA-N 1 0 317.385 3.082 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c(C)nn1C ZINC000180151418 432078980 /nfs/dbraw/zinc/07/89/80/432078980.db2.gz ZKHUHRAWBVKTJL-QGZVFWFLSA-N 1 0 313.445 3.334 10 0 DGAERO OCC[C@@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCOC1 ZINC000180155987 432079859 /nfs/dbraw/zinc/07/98/59/432079859.db2.gz RJKJWWSFHGXYFF-SJORKVTESA-N 1 0 309.837 3.170 10 0 DGAERO CCCNC(=O)CC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180187864 432081296 /nfs/dbraw/zinc/08/12/96/432081296.db2.gz OZSYFPIHMIVJAB-UHFFFAOYSA-N 1 0 322.452 3.381 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C12CCOCC2 ZINC000186286123 199938729 /nfs/dbraw/zinc/93/87/29/199938729.db2.gz YDKHWTYYNKJLEK-RTBURBONSA-N 1 0 315.457 3.239 10 0 DGAERO CC[NH+](CC)Cc1cccc(CNC(=O)CCCSC)c1 ZINC000134630078 432081766 /nfs/dbraw/zinc/08/17/66/432081766.db2.gz UWHKVQXPDPRWJM-UHFFFAOYSA-N 1 0 308.491 3.288 10 0 DGAERO O=C(c1ccc2ncccc2c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812441 432082606 /nfs/dbraw/zinc/08/26/06/432082606.db2.gz UQNXTKVXFDYIHW-UHFFFAOYSA-N 1 0 323.440 3.183 10 0 DGAERO C[C@@H](NC(=O)NC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180299590 432083751 /nfs/dbraw/zinc/08/37/51/432083751.db2.gz PFFNEYBOERYBRJ-CABCVRRESA-N 1 0 307.482 3.271 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000186824870 200017155 /nfs/dbraw/zinc/01/71/55/200017155.db2.gz ZOCINBGWFWKBBD-KUQKPQIMSA-N 1 0 300.446 3.075 10 0 DGAERO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170834651 432083929 /nfs/dbraw/zinc/08/39/29/432083929.db2.gz LFPRZUKUXAYBFX-RDJZCZTQSA-N 1 0 317.477 3.088 10 0 DGAERO CC(C)(C)[NH+]1CCC(NC(=O)c2scnc2C2CC2)CC1 ZINC000089760429 192860766 /nfs/dbraw/zinc/86/07/66/192860766.db2.gz ZXRHSAJUTJGIBQ-UHFFFAOYSA-N 1 0 307.463 3.013 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1cccc(Cl)c1 ZINC000187188877 200074723 /nfs/dbraw/zinc/07/47/23/200074723.db2.gz IMCDOFCVHYMNJP-CJNGLKHVSA-N 1 0 304.825 3.372 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000170863599 432084610 /nfs/dbraw/zinc/08/46/10/432084610.db2.gz KLGFEVXMZGKHKY-LJQANCHMSA-N 1 0 308.425 3.059 10 0 DGAERO Cc1ccc(CC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000187242479 200081980 /nfs/dbraw/zinc/08/19/80/200081980.db2.gz YXVHXHWLILMYCZ-KDOFPFPSSA-N 1 0 316.470 3.407 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+]C[C@@H](C)Cc1ccccc1)CC2 ZINC000187281036 200088295 /nfs/dbraw/zinc/08/82/95/200088295.db2.gz JJKVNZWKFRBJIW-DOTOQJQBSA-N 1 0 312.461 3.185 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)C2c3ccccc3Oc3ccccc32)C1 ZINC000170859458 432084882 /nfs/dbraw/zinc/08/48/82/432084882.db2.gz CLGNZNIJMGFZEK-CQSZACIVSA-N 1 0 322.408 3.087 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)Cc1ccccc1F ZINC000187810472 200159808 /nfs/dbraw/zinc/15/98/08/200159808.db2.gz ZSNOHEWDCZTXRJ-DYVFJYSZSA-N 1 0 303.377 3.089 10 0 DGAERO CC(C)Oc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000187816580 200160736 /nfs/dbraw/zinc/16/07/36/200160736.db2.gz UWYLHCIVLNBKGV-GXTWGEPZSA-N 1 0 324.852 3.213 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000170863061 432085017 /nfs/dbraw/zinc/08/50/17/432085017.db2.gz RQFXVJAGABYDLA-IBGZPJMESA-N 1 0 322.452 3.371 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)C1 ZINC000170859265 432085189 /nfs/dbraw/zinc/08/51/89/432085189.db2.gz WNKQQIOVMMDZKZ-KRWDZBQOSA-N 1 0 302.462 3.079 10 0 DGAERO Cc1ccccc1SCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237576043 202289961 /nfs/dbraw/zinc/28/99/61/202289961.db2.gz SVTMHHBSQVJUAU-OAHLLOKOSA-N 1 0 306.475 3.111 10 0 DGAERO C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237539470 202276848 /nfs/dbraw/zinc/27/68/48/202276848.db2.gz USYISWBCFGDOJN-WDMOLILDSA-N 1 0 312.866 3.064 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2nccnc2C)cc1OC ZINC000187982162 200186469 /nfs/dbraw/zinc/18/64/69/200186469.db2.gz KQCKTNYIORKGEO-OCCSQVGLSA-N 1 0 315.417 3.084 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H]1c1ccsc1 ZINC000188103150 200193980 /nfs/dbraw/zinc/19/39/80/200193980.db2.gz QXCARGNRNBCHKO-KBPBESRZSA-N 1 0 308.834 3.004 10 0 DGAERO CCc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(O)c1 ZINC000188175414 200204153 /nfs/dbraw/zinc/20/41/53/200204153.db2.gz UIYCGKHBYOSEDZ-CVEARBPZSA-N 1 0 316.445 3.042 10 0 DGAERO C[C@@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CCCc2ccccc21 ZINC000237587983 202293076 /nfs/dbraw/zinc/29/30/76/202293076.db2.gz AOQFEJFAMGEWQH-AZUAARDMSA-N 1 0 308.425 3.097 10 0 DGAERO Cc1cccc(OC(F)F)c1NC(=O)CCC1CC[NH2+]CC1 ZINC000237667798 202323040 /nfs/dbraw/zinc/32/30/40/202323040.db2.gz MUMJGQNBKLXJEX-UHFFFAOYSA-N 1 0 312.360 3.315 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1OC(F)F ZINC000237701253 202331901 /nfs/dbraw/zinc/33/19/01/202331901.db2.gz MHAAFGASHAIYIQ-XBFCOCLRSA-N 1 0 324.371 3.456 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc2ccccc2s1 ZINC000188676735 200285112 /nfs/dbraw/zinc/28/51/12/200285112.db2.gz SHBKPNAZMXOZNA-UHFFFAOYSA-N 1 0 308.406 3.435 10 0 DGAERO COc1c(C[NH+]2CCC(c3ccsc3)CC2)c(C)nn1C ZINC000188694687 200288480 /nfs/dbraw/zinc/28/84/80/200288480.db2.gz HHXSDBURNZYOEP-UHFFFAOYSA-N 1 0 305.447 3.178 10 0 DGAERO CCn1ccnc1CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134836797 432086894 /nfs/dbraw/zinc/08/68/94/432086894.db2.gz XOZWIWPCOJGVAN-MRXNPFEDSA-N 1 0 315.392 3.280 10 0 DGAERO CCc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)oc1CC ZINC000134861754 432087875 /nfs/dbraw/zinc/08/78/75/432087875.db2.gz XEJAWAOWIJDTKG-UHFFFAOYSA-N 1 0 314.429 3.396 10 0 DGAERO Cc1cccc(C[C@H](CO)[NH2+]Cc2cnc(-c3ccccc3)[nH]2)c1 ZINC000189014042 200335881 /nfs/dbraw/zinc/33/58/81/200335881.db2.gz VZUVWVUWPKTHII-GOSISDBHSA-N 1 0 321.424 3.078 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccs1 ZINC000189058698 200342270 /nfs/dbraw/zinc/34/22/70/200342270.db2.gz OAMSFTGBPCSHHQ-IUODEOHRSA-N 1 0 318.417 3.339 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(-c2cccs2)cc1 ZINC000180488763 432088292 /nfs/dbraw/zinc/08/82/92/432088292.db2.gz QHJWSRDBCFESBI-YOEHRIQHSA-N 1 0 316.470 3.396 10 0 DGAERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccccc2SC)CC[C@H]1C ZINC000189333820 200384230 /nfs/dbraw/zinc/38/42/30/200384230.db2.gz RMXPAWWCIACWIU-HIFRSBDPSA-N 1 0 322.474 3.094 10 0 DGAERO c1ccc(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cn2)nc1 ZINC000425474298 237945972 /nfs/dbraw/zinc/94/59/72/237945972.db2.gz IMZIZDGRVCXEBR-IPELMVKDSA-N 1 0 321.424 3.191 10 0 DGAERO C[C@@H](c1cccc(Cl)c1F)[N@H+](C)CC1(O)CCOCC1 ZINC000189789352 432090240 /nfs/dbraw/zinc/09/02/40/432090240.db2.gz ZLYZILHMICPAPR-NSHDSACASA-N 1 0 301.789 3.013 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246061234 432090729 /nfs/dbraw/zinc/09/07/29/432090729.db2.gz ZDCUMAPJZNEMPU-XYJFISCASA-N 1 0 315.461 3.182 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1c2c(ccc1OC)CCC2 ZINC000191339184 200676115 /nfs/dbraw/zinc/67/61/15/200676115.db2.gz YOWYJPUTBSGEAE-ZDUSSCGKSA-N 1 0 319.449 3.036 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+]CCC[C@H]1CCOC1 ZINC000449683478 240367093 /nfs/dbraw/zinc/36/70/93/240367093.db2.gz NSMRFOHBZJRYPU-ZDUSSCGKSA-N 1 0 303.431 3.111 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1Cc1cnn2ccccc12)c1ccco1 ZINC000246086765 432093289 /nfs/dbraw/zinc/09/32/89/432093289.db2.gz IHXHKCDQPKVSQH-NVXWUHKLSA-N 1 0 311.385 3.015 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nc(C(C)C)nn3C1)CC2 ZINC000180640158 432093814 /nfs/dbraw/zinc/09/38/14/432093814.db2.gz KCMWSJQWRSJTTF-NVXWUHKLSA-N 1 0 310.445 3.302 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CCCc1ccccn1 ZINC000435200110 238281416 /nfs/dbraw/zinc/28/14/16/238281416.db2.gz FKPLXZFVOHPHHJ-UHFFFAOYSA-N 1 0 310.426 3.323 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cnn2ccccc12)c1ccco1 ZINC000246086761 432093866 /nfs/dbraw/zinc/09/38/66/432093866.db2.gz IHXHKCDQPKVSQH-DOTOQJQBSA-N 1 0 311.385 3.015 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)o1 ZINC000180647124 432094769 /nfs/dbraw/zinc/09/47/69/432094769.db2.gz CNCWHFLXBWYHBM-OLZOCXBDSA-N 1 0 302.422 3.223 10 0 DGAERO COc1ccc(Cl)c(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000246106480 432094961 /nfs/dbraw/zinc/09/49/61/432094961.db2.gz OFOBGVYBHCFELG-RYUDHWBXSA-N 1 0 323.824 3.049 10 0 DGAERO O=C(NCC[NH+]1CCCCC1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000056940090 283634286 /nfs/dbraw/zinc/63/42/86/283634286.db2.gz BFGVRUIPWAZRDO-INIZCTEOSA-N 1 0 321.852 3.112 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc(Cl)c1 ZINC000192812445 200946104 /nfs/dbraw/zinc/94/61/04/200946104.db2.gz UJENWYFSCXGKOQ-XJKSGUPXSA-N 1 0 316.836 3.450 10 0 DGAERO C[C@@H](NC(=O)CC[C@H](C)[NH3+])c1c(Cl)ccc(F)c1Cl ZINC000193193705 201005403 /nfs/dbraw/zinc/00/54/03/201005403.db2.gz KVOFQQIGNJNJMT-JGVFFNPUSA-N 1 0 307.196 3.437 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000193282246 201019351 /nfs/dbraw/zinc/01/93/51/201019351.db2.gz NHSYURZNUQCAOH-NWDGAFQWSA-N 1 0 316.367 3.443 10 0 DGAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000193540188 201070969 /nfs/dbraw/zinc/07/09/69/201070969.db2.gz VYEOVSOFPDODJY-SKDRFNHKSA-N 1 0 318.364 3.169 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)o1 ZINC000193602118 201083351 /nfs/dbraw/zinc/08/33/51/201083351.db2.gz ZXPDJKYCQOJEGY-CZUORRHYSA-N 1 0 323.820 3.470 10 0 DGAERO Cc1ccc([C@H]([NH2+]CCS(C)(=O)=O)c2ccccc2)c(C)c1 ZINC000193845803 201133287 /nfs/dbraw/zinc/13/32/87/201133287.db2.gz IFNRGLLUFAEQBR-GOSISDBHSA-N 1 0 317.454 3.027 10 0 DGAERO Cc1cnn(CC[NH2+][C@H](C)c2cc(Br)cs2)c1 ZINC000194087424 201175043 /nfs/dbraw/zinc/17/50/43/201175043.db2.gz FDWMLNVHWQQBEW-SNVBAGLBSA-N 1 0 314.252 3.366 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2cc(Br)cs2)n1 ZINC000194091739 201177606 /nfs/dbraw/zinc/17/76/06/201177606.db2.gz AUEMAUMRJVYRSQ-SSDOTTSWSA-N 1 0 316.224 3.095 10 0 DGAERO Cc1ccc(N2CCC[N@H+](Cc3cc(Cl)cs3)CC2)nn1 ZINC000194382767 201215103 /nfs/dbraw/zinc/21/51/03/201215103.db2.gz KKTJUYYPPVKGHX-UHFFFAOYSA-N 1 0 322.865 3.212 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441290569 239032267 /nfs/dbraw/zinc/03/22/67/239032267.db2.gz YPUUAULRTCZYAA-PMACEKPBSA-N 1 0 317.473 3.384 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000246127369 432098371 /nfs/dbraw/zinc/09/83/71/432098371.db2.gz ZFEZWGPEMVQFGE-GXTWGEPZSA-N 1 0 324.494 3.461 10 0 DGAERO CC(C)[C@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246135191 432099040 /nfs/dbraw/zinc/09/90/40/432099040.db2.gz CXKFLZMSOUJGDC-ROUUACIJSA-N 1 0 300.446 3.123 10 0 DGAERO Cn1c(=O)sc2cc(C[N@H+](C)Cc3cccc(F)c3)ccc21 ZINC000194973525 201320124 /nfs/dbraw/zinc/32/01/24/201320124.db2.gz WIRDRLYFTOCDCW-UHFFFAOYSA-N 1 0 316.401 3.371 10 0 DGAERO Cn1c(=O)sc2cc(C[N@H+](C)Cc3ccc(F)cc3)ccc21 ZINC000194974634 201320663 /nfs/dbraw/zinc/32/06/63/201320663.db2.gz PCVQISYDBMEQKC-UHFFFAOYSA-N 1 0 316.401 3.371 10 0 DGAERO Cc1occc1C[N@@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000194994776 201322715 /nfs/dbraw/zinc/32/27/15/201322715.db2.gz CKQYXIZHNWJPMX-UHFFFAOYSA-N 1 0 302.399 3.133 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000246130750 432099339 /nfs/dbraw/zinc/09/93/39/432099339.db2.gz IXQSMGJFDBPTED-HFTRVMKXSA-N 1 0 315.461 3.188 10 0 DGAERO Cc1cccc(NC[C@@H]2CCN(c3cc(Cl)nc(C)n3)C2)[nH+]1 ZINC000171069600 432099576 /nfs/dbraw/zinc/09/95/76/432099576.db2.gz GUHASOZPRQWDJC-ZDUSSCGKSA-N 1 0 317.824 3.080 10 0 DGAERO CCCCOC[C@@H](O)C[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000195189534 201356426 /nfs/dbraw/zinc/35/64/26/201356426.db2.gz FAQWYKVPOYGNMV-IBGZPJMESA-N 1 0 320.477 3.049 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000171072584 432099660 /nfs/dbraw/zinc/09/96/60/432099660.db2.gz KTBNAKFFPHJFLN-JTQLQIEISA-N 1 0 315.389 3.169 10 0 DGAERO Cc1ccc(O)c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000268527274 432100412 /nfs/dbraw/zinc/10/04/12/432100412.db2.gz HYOJTQDFQCZVNW-KRWDZBQOSA-N 1 0 324.424 3.047 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@H](C)CC[C@H]2C)c1 ZINC000246142086 432100766 /nfs/dbraw/zinc/10/07/66/432100766.db2.gz JPDNURZDZOTTMV-JKSUJKDBSA-N 1 0 317.477 3.468 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC12CCC2 ZINC000444847257 239363928 /nfs/dbraw/zinc/36/39/28/239363928.db2.gz JAROAJCYSVQKAT-MRXNPFEDSA-N 1 0 307.482 3.369 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)C1CCCC1 ZINC000070306780 283737236 /nfs/dbraw/zinc/73/72/36/283737236.db2.gz GMTPRJXHDOJMHR-CZUORRHYSA-N 1 0 311.853 3.386 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000247369374 202665107 /nfs/dbraw/zinc/66/51/07/202665107.db2.gz DWDNEUWIOPNPBF-SLFFLAALSA-N 1 0 322.452 3.079 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cncn3C)C2)o1 ZINC000275515153 212387279 /nfs/dbraw/zinc/38/72/79/212387279.db2.gz KQSDZTDHUFFIIR-ACXGAUJLSA-N 1 0 315.417 3.146 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000246179480 432103553 /nfs/dbraw/zinc/10/35/53/432103553.db2.gz LSADKEQXSBYFGO-DOMZBBRYSA-N 1 0 309.841 3.185 10 0 DGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1cccc(-n2ccnc2)c1 ZINC000189915831 432103515 /nfs/dbraw/zinc/10/35/15/432103515.db2.gz LUHGARSGVSARET-GKCIPKSASA-N 1 0 319.408 3.181 10 0 DGAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449063691 239999265 /nfs/dbraw/zinc/99/92/65/239999265.db2.gz QSQYUSFALDASQD-HNNXBMFYSA-N 1 0 317.454 3.201 10 0 DGAERO C[C@@H](C[NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000449133424 240033009 /nfs/dbraw/zinc/03/30/09/240033009.db2.gz YKOPKVZYAZLTDE-ZDUSSCGKSA-N 1 0 321.417 3.123 10 0 DGAERO c1c2cccnc2oc1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000449079714 240005977 /nfs/dbraw/zinc/00/59/77/240005977.db2.gz ZZMQQCDXBIEKMS-OAHLLOKOSA-N 1 0 307.397 3.444 10 0 DGAERO COc1cccc(CC[NH2+]C[C@H](C)c2cc(F)cc(F)c2)n1 ZINC000449187364 240058306 /nfs/dbraw/zinc/05/83/06/240058306.db2.gz MKSNEWIHMZZWBW-LBPRGKRZSA-N 1 0 306.356 3.304 10 0 DGAERO C[C@H](C[N@H+](C)C[C@@H]1CC=CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239395 240085173 /nfs/dbraw/zinc/08/51/73/240085173.db2.gz JJCNEROKIYDDMC-HZPDHXFCSA-N 1 0 321.486 3.482 10 0 DGAERO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]Cc1ccn(C)n1 ZINC000449204318 240065619 /nfs/dbraw/zinc/06/56/19/240065619.db2.gz JPXPUUUTRQVOGW-SNVBAGLBSA-N 1 0 314.216 3.284 10 0 DGAERO CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(C)cs1 ZINC000246183062 432104487 /nfs/dbraw/zinc/10/44/87/432104487.db2.gz LWUJJUKOHSGZMW-IHRRRGAJSA-N 1 0 324.494 3.027 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCCC23CCC3)n1 ZINC000449272300 240103424 /nfs/dbraw/zinc/10/34/24/240103424.db2.gz VOWUJKGRIUSYIZ-CYBMUJFWSA-N 1 0 308.447 3.175 10 0 DGAERO c1c2cccnc2oc1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449295286 240115840 /nfs/dbraw/zinc/11/58/40/240115840.db2.gz RFLOQKGWKXVWAP-KRWDZBQOSA-N 1 0 321.424 3.440 10 0 DGAERO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000449312267 240124419 /nfs/dbraw/zinc/12/44/19/240124419.db2.gz LZRXMOANQHPCLG-HZPDHXFCSA-N 1 0 318.461 3.081 10 0 DGAERO Cc1cc(CC[NH2+]Cc2cccc(Br)c2F)on1 ZINC000449318529 240127347 /nfs/dbraw/zinc/12/73/47/240127347.db2.gz GXPYYBQSHGYKBY-UHFFFAOYSA-N 1 0 313.170 3.217 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[NH2+]CCCC1CCOCC1 ZINC000449354561 240151838 /nfs/dbraw/zinc/15/18/38/240151838.db2.gz PABXMUZMPQHMGA-HNNXBMFYSA-N 1 0 310.463 3.291 10 0 DGAERO c1csc(-c2n[nH]cc2C[NH2+]CCCC2CCOCC2)c1 ZINC000449353423 240152863 /nfs/dbraw/zinc/15/28/63/240152863.db2.gz BHHSFVJTKNSHSU-UHFFFAOYSA-N 1 0 305.447 3.435 10 0 DGAERO C[C@@H](CCO)CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449358208 240155120 /nfs/dbraw/zinc/15/51/20/240155120.db2.gz MOICPSFURATTKN-CQSZACIVSA-N 1 0 307.434 3.140 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CCCSC2)sc1Br ZINC000449400307 240176760 /nfs/dbraw/zinc/17/67/60/240176760.db2.gz ICNHCIXSUPADJW-QMMMGPOBSA-N 1 0 307.282 3.199 10 0 DGAERO COc1cc(OC)c(C[C@@H](C)[NH2+][C@H](C)CC2CC2)c(OC)c1 ZINC000449467321 240223880 /nfs/dbraw/zinc/22/38/80/240223880.db2.gz LUFJTLKANLAESP-CHWSQXEVSA-N 1 0 307.434 3.422 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000449684401 240369029 /nfs/dbraw/zinc/36/90/29/240369029.db2.gz KZGBPSFTCBGMRV-LJQANCHMSA-N 1 0 301.430 3.478 10 0 DGAERO C[C@H](c1nc(-c2cccs2)no1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246186935 432105813 /nfs/dbraw/zinc/10/58/13/432105813.db2.gz LQODVTQEWLLFFT-OLZOCXBDSA-N 1 0 318.446 3.029 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)N2CCC[C@]3(CC=CCC3)C2)C[N@@H+]1C1CC1 ZINC000246190712 432106041 /nfs/dbraw/zinc/10/60/41/432106041.db2.gz IFBMQYALFPWZMU-JTDSTZFVSA-N 1 0 317.477 3.144 10 0 DGAERO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)Nc1cccc2ccccc21 ZINC000077369519 283849804 /nfs/dbraw/zinc/84/98/04/283849804.db2.gz VIZMHQXEDAAVBU-GJZGRUSLSA-N 1 0 312.413 3.278 10 0 DGAERO CC(C)[C@H]([NH2+]CCOCCO)c1ccc(Cl)c(Cl)c1 ZINC000091265172 193028526 /nfs/dbraw/zinc/02/85/26/193028526.db2.gz RROIHWOSTHAGOU-AWEZNQCLSA-N 1 0 306.233 3.289 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)C2CC2)cc1 ZINC000091347300 193045206 /nfs/dbraw/zinc/04/52/06/193045206.db2.gz NABDUJWUXMITNA-AZUAARDMSA-N 1 0 324.472 3.438 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000282312217 299357838 /nfs/dbraw/zinc/35/78/38/299357838.db2.gz KNCLAUXEKOOXMY-IGJMFERPSA-N 1 0 301.217 3.311 10 0 DGAERO C[N@H+](CCOc1ccc(Cl)cc1Cl)CC1CC(O)C1 ZINC000091491068 193064538 /nfs/dbraw/zinc/06/45/38/193064538.db2.gz FZUXEYSNDUJFOV-UHFFFAOYSA-N 1 0 304.217 3.075 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(Cl)cc1Cl ZINC000282312218 299360301 /nfs/dbraw/zinc/36/03/01/299360301.db2.gz KNCLAUXEKOOXMY-MWODSPESSA-N 1 0 301.217 3.311 10 0 DGAERO CC(C)Cc1ncc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000092043724 193146756 /nfs/dbraw/zinc/14/67/56/193146756.db2.gz KKOHSBQKSXBOMD-GDBMZVCRSA-N 1 0 307.507 3.258 10 0 DGAERO COc1cc(C[N@@H+]2CCCC[C@H](SC)C2)cc2c1OCCO2 ZINC000092064061 193150528 /nfs/dbraw/zinc/15/05/28/193150528.db2.gz HIZAVQQKLJTRDR-AWEZNQCLSA-N 1 0 323.458 3.184 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCC12CCCC2)COCc1ccccc1F ZINC000451469292 241132606 /nfs/dbraw/zinc/13/26/06/241132606.db2.gz LXYJGCWYNAVAFW-RDJZCZTQSA-N 1 0 307.409 3.016 10 0 DGAERO c1cc(-c2noc(C[N@@H+]3CCCc4ccccc4CC3)n2)co1 ZINC000451707414 241214884 /nfs/dbraw/zinc/21/48/84/241214884.db2.gz GBOFZBMVOGGFGO-UHFFFAOYSA-N 1 0 309.369 3.321 10 0 DGAERO c1ccc(CC2([NH2+]CC[C@@H]3CCCCO3)CCOCC2)cc1 ZINC000451942885 241281327 /nfs/dbraw/zinc/28/13/27/241281327.db2.gz HFCMEBSRZONGCH-SFHVURJKSA-N 1 0 303.446 3.327 10 0 DGAERO C[C@@H]1CN(C(=O)c2cc(F)ccc2Cl)CC[N@@H+](C2CC2)C1 ZINC000452178244 241342032 /nfs/dbraw/zinc/34/20/32/241342032.db2.gz YRJCFWZCHBJALX-NSHDSACASA-N 1 0 310.800 3.035 10 0 DGAERO COCc1ccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC)cc1 ZINC000246232392 432110771 /nfs/dbraw/zinc/11/07/71/432110771.db2.gz ROXIZKIYZMNNMC-KURKYZTESA-N 1 0 317.429 3.139 10 0 DGAERO CC[C@H](NC(=O)NCCC1CC[NH+](CC)CC1)C1CCCC1 ZINC000454643762 242001412 /nfs/dbraw/zinc/00/14/12/242001412.db2.gz HBKFCGCAKLSXCN-KRWDZBQOSA-N 1 0 309.498 3.376 10 0 DGAERO CCC(=O)c1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246254001 432112042 /nfs/dbraw/zinc/11/20/42/432112042.db2.gz JLXSMZCQQFHPJI-CZUORRHYSA-N 1 0 317.433 3.130 10 0 DGAERO O=C(NCCCCC[NH+]1CCCC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000455117613 242111831 /nfs/dbraw/zinc/11/18/31/242111831.db2.gz OAZREMMRPNPBFM-IAGOWNOFSA-N 1 0 307.482 3.084 10 0 DGAERO CCS[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)C(C)C ZINC000171215809 432113210 /nfs/dbraw/zinc/11/32/10/432113210.db2.gz WNXFKRQUXGLCTL-MRXNPFEDSA-N 1 0 312.523 3.099 10 0 DGAERO Cc1cc2cc(NC(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)ccc2[nH]1 ZINC000246267092 432113555 /nfs/dbraw/zinc/11/35/55/432113555.db2.gz ADWOMVFJFDENJI-PXAZEXFGSA-N 1 0 314.433 3.327 10 0 DGAERO Cc1cc(C)n(-c2ccc(CN3CC[N@@H+]4CCCC[C@H]4C3)cc2)n1 ZINC000246270869 432113631 /nfs/dbraw/zinc/11/36/31/432113631.db2.gz ZZAABMMRSLMHGW-FQEVSTJZSA-N 1 0 324.472 3.159 10 0 DGAERO C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000456168166 242366810 /nfs/dbraw/zinc/36/68/10/242366810.db2.gz KZLFUTDTUZDNAP-UKRRQHHQSA-N 1 0 324.415 3.305 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2cccc(C)c2)C[C@H]1CC ZINC000181095210 432113844 /nfs/dbraw/zinc/11/38/44/432113844.db2.gz ZVOYRLAZAIRXNV-HXUWFJFHSA-N 1 0 318.505 3.360 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc3ncsc3c2)C1 ZINC000246271607 432113868 /nfs/dbraw/zinc/11/38/68/432113868.db2.gz ANHVUNUHALLZGQ-SMDDNHRTSA-N 1 0 318.446 3.147 10 0 DGAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000092096567 193156629 /nfs/dbraw/zinc/15/66/29/193156629.db2.gz CHIANQFJAQSLFI-OAHLLOKOSA-N 1 0 318.417 3.265 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)ccc2OC)[C@H](C)C1 ZINC000092102013 193159359 /nfs/dbraw/zinc/15/93/59/193159359.db2.gz YUPZWSPJNBLEDJ-IUODEOHRSA-N 1 0 323.412 3.028 10 0 DGAERO c1[nH]c([C@@H]2CCC[N@@H+](C[C@H]3CCCO3)C2)nc1-c1ccccc1 ZINC000246285525 432115220 /nfs/dbraw/zinc/11/52/20/432115220.db2.gz AIFWDMCNLYRDQE-IAGOWNOFSA-N 1 0 311.429 3.435 10 0 DGAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(F)c(Br)c1 ZINC000091424005 284001047 /nfs/dbraw/zinc/00/10/47/284001047.db2.gz ZJWPUKNKNWRJGH-SILCLGDVSA-N 1 0 302.187 3.010 10 0 DGAERO COc1ccc(F)cc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000092104661 284004940 /nfs/dbraw/zinc/00/49/40/284004940.db2.gz VPGDOSKEAKUGFQ-CQSZACIVSA-N 1 0 323.412 3.076 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000246273472 432115407 /nfs/dbraw/zinc/11/54/07/432115407.db2.gz SCRGAPXZPTVNLB-SWLSCSKDSA-N 1 0 305.397 3.129 10 0 DGAERO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000135365628 432115782 /nfs/dbraw/zinc/11/57/82/432115782.db2.gz WOSRCOWURPMSTH-KRWDZBQOSA-N 1 0 313.449 3.241 10 0 DGAERO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)s1 ZINC000093664892 284013627 /nfs/dbraw/zinc/01/36/27/284013627.db2.gz CDONPNGZDJDYFO-HNNXBMFYSA-N 1 0 322.518 3.200 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc3ccn(C)c32)CC[N@@H+]1C ZINC000190038373 432116449 /nfs/dbraw/zinc/11/64/49/432116449.db2.gz HWDKYMQJTLAKOK-UKRRQHHQSA-N 1 0 314.433 3.125 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000102687766 284023752 /nfs/dbraw/zinc/02/37/52/284023752.db2.gz DRWQAYFUUZDCPH-LXVYMNJGSA-N 1 0 310.388 3.310 10 0 DGAERO CCc1nn(C)c(CC)c1C[NH+]1CCC(OCC(C)C)CC1 ZINC000092223423 193176197 /nfs/dbraw/zinc/17/61/97/193176197.db2.gz JEXRHQQGPALUBS-UHFFFAOYSA-N 1 0 307.482 3.182 10 0 DGAERO CSc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000092231795 193177292 /nfs/dbraw/zinc/17/72/92/193177292.db2.gz BZXDTRYSJVGAQE-GDBMZVCRSA-N 1 0 304.459 3.013 10 0 DGAERO O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCCC(F)(F)C1 ZINC000458577902 243094523 /nfs/dbraw/zinc/09/45/23/243094523.db2.gz WCILUHCZKGBOHJ-CQSZACIVSA-N 1 0 317.424 3.130 10 0 DGAERO C[C@H]([NH2+]CCc1ccco1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105783401 284041287 /nfs/dbraw/zinc/04/12/87/284041287.db2.gz QTMLVUQUHFTKNX-LSDHHAIUSA-N 1 0 322.449 3.447 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC ZINC000106117588 284043178 /nfs/dbraw/zinc/04/31/78/284043178.db2.gz BHUMFYZSTWRJBY-IBGZPJMESA-N 1 0 304.478 3.052 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246287725 432117388 /nfs/dbraw/zinc/11/73/88/432117388.db2.gz ANXAENFTRCTKHB-IUODEOHRSA-N 1 0 309.841 3.499 10 0 DGAERO CCn1nncc1CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000459278716 243312979 /nfs/dbraw/zinc/31/29/79/243312979.db2.gz KKSKXTDWKPGMRF-BLLLJJGKSA-N 1 0 300.406 3.179 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109121193 284065419 /nfs/dbraw/zinc/06/54/19/284065419.db2.gz SIFSEJRDBJNAMM-RBSFLKMASA-N 1 0 324.415 3.161 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459490972 243389006 /nfs/dbraw/zinc/38/90/06/243389006.db2.gz CMIIWXVINPUYJS-QWHCGFSZSA-N 1 0 305.447 3.239 10 0 DGAERO c1cc(C[NH2+]Cc2ccc(C3CC3)cc2)nc(N2CCOCC2)c1 ZINC000459495680 243391806 /nfs/dbraw/zinc/39/18/06/243391806.db2.gz FLYPYZMXDFFNEE-UHFFFAOYSA-N 1 0 323.440 3.085 10 0 DGAERO CCn1nncc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000459428896 243367021 /nfs/dbraw/zinc/36/70/21/243367021.db2.gz OUFHDEHCCTZADQ-GUDVDZBRSA-N 1 0 310.445 3.456 10 0 DGAERO Clc1ccccc1CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000109819725 284070063 /nfs/dbraw/zinc/07/00/63/284070063.db2.gz OYLJDHQZUNVMGF-QGZVFWFLSA-N 1 0 322.880 3.069 10 0 DGAERO CC1CC[NH+](CCCCNC(=O)N2CCCC(C)(C)C2)CC1 ZINC000112743439 284095490 /nfs/dbraw/zinc/09/54/90/284095490.db2.gz NKZWCVQGRZMUKO-UHFFFAOYSA-N 1 0 309.498 3.330 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccc2ccccc2c1 ZINC000113229737 284100623 /nfs/dbraw/zinc/10/06/23/284100623.db2.gz KTZHNWDQSGRUBJ-OXQOHEQNSA-N 1 0 322.452 3.468 10 0 DGAERO CCCOc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246318895 432118690 /nfs/dbraw/zinc/11/86/90/432118690.db2.gz AJNKGOCXYANASR-HUUCEWRRSA-N 1 0 317.433 3.176 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000467671380 244003176 /nfs/dbraw/zinc/00/31/76/244003176.db2.gz JZKFYZPCLLHZIH-UHFFFAOYSA-N 1 0 307.825 3.422 10 0 DGAERO CCCN(CCc1cccs1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC000468602743 244055731 /nfs/dbraw/zinc/05/57/31/244055731.db2.gz ZCGWCOPIOJBVOL-MRXNPFEDSA-N 1 0 308.491 3.404 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)n1 ZINC000468999559 244078371 /nfs/dbraw/zinc/07/83/71/244078371.db2.gz QFVXCNDUIMRXPQ-UONOGXRCSA-N 1 0 322.474 3.421 10 0 DGAERO CC[C@@H](C)C[NH2+]C[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000093082023 193199990 /nfs/dbraw/zinc/19/99/90/193199990.db2.gz CFVMTUUDQRWYQL-HUUCEWRRSA-N 1 0 306.450 3.166 10 0 DGAERO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000116397376 284120767 /nfs/dbraw/zinc/12/07/67/284120767.db2.gz FXRLEISAKZOYLV-QWHCGFSZSA-N 1 0 310.486 3.384 10 0 DGAERO COc1ccc(C[C@@H](C)C[NH2+]CCN2CC=C(C)CC2)cc1F ZINC000470326037 244164435 /nfs/dbraw/zinc/16/44/35/244164435.db2.gz CQCAPQCESJYBKL-MRXNPFEDSA-N 1 0 320.452 3.255 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000246325700 432119798 /nfs/dbraw/zinc/11/97/98/432119798.db2.gz CPEBCPVYBGDWCP-QAETUUGQSA-N 1 0 309.498 3.184 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)C1 ZINC000471801876 244247810 /nfs/dbraw/zinc/24/78/10/244247810.db2.gz YLYILOSFXOEJOD-BFYDXBDKSA-N 1 0 319.836 3.320 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000471827365 244254222 /nfs/dbraw/zinc/25/42/22/244254222.db2.gz QDTVBCVDFKVWOX-HZPDHXFCSA-N 1 0 305.418 3.299 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000471823275 244254526 /nfs/dbraw/zinc/25/45/26/244254526.db2.gz PYKNMDSWUFFEPH-LSDHHAIUSA-N 1 0 305.809 3.387 10 0 DGAERO CCC[N@@H+](Cc1c(CC)nn(C)c1CC)C[C@H]1CCCCO1 ZINC000093132551 193205192 /nfs/dbraw/zinc/20/51/92/193205192.db2.gz DJOGMTXHQQQOEM-OAHLLOKOSA-N 1 0 307.482 3.326 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ncc(Br)cc2F)C1 ZINC000471768132 244244685 /nfs/dbraw/zinc/24/46/85/244244685.db2.gz DQHJYCMLZIFEAR-JMJZKYOTSA-N 1 0 317.202 3.201 10 0 DGAERO CO[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000471791307 244246811 /nfs/dbraw/zinc/24/68/11/244246811.db2.gz WORKKFOEDFURAI-CABCVRRESA-N 1 0 310.388 3.091 10 0 DGAERO CC(C)CN(CC(C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119087871 284133914 /nfs/dbraw/zinc/13/39/14/284133914.db2.gz RIRYLDSNZDATNK-UHFFFAOYSA-N 1 0 311.514 3.430 10 0 DGAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000262160772 203214635 /nfs/dbraw/zinc/21/46/35/203214635.db2.gz USSSDETZOGMFDT-YUTCNCBUSA-N 1 0 316.367 3.040 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472367290 244301536 /nfs/dbraw/zinc/30/15/36/244301536.db2.gz HUPIHLRIARIXIM-YTQUADARSA-N 1 0 314.473 3.341 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000119303386 284139968 /nfs/dbraw/zinc/13/99/68/284139968.db2.gz GAPNTVCGNLKMHL-HNNXBMFYSA-N 1 0 304.434 3.392 10 0 DGAERO O=C(C[NH2+]C1(CCO)CCCCC1)NCCCC1CCCCC1 ZINC000474293771 244386258 /nfs/dbraw/zinc/38/62/58/244386258.db2.gz ZTDWNIYYQVEJTO-UHFFFAOYSA-N 1 0 324.509 3.138 10 0 DGAERO CCC[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000093168770 193211504 /nfs/dbraw/zinc/21/15/04/193211504.db2.gz AHHAYYXFFGGTHK-JTQLQIEISA-N 1 0 304.463 3.240 10 0 DGAERO CC1(C)CCCC[C@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000119788177 284152027 /nfs/dbraw/zinc/15/20/27/284152027.db2.gz IRQLCVBQTCRQJK-QWHCGFSZSA-N 1 0 320.399 3.346 10 0 DGAERO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)[nH]1 ZINC000093439444 193252681 /nfs/dbraw/zinc/25/26/81/193252681.db2.gz LFIAALPJKRDNJF-SFHVURJKSA-N 1 0 301.434 3.039 10 0 DGAERO c1ncc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)[nH]1 ZINC000093387191 193241414 /nfs/dbraw/zinc/24/14/14/193241414.db2.gz MDCMSUFUZJMKJD-OAHLLOKOSA-N 1 0 307.401 3.179 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)o1 ZINC000093585213 193269607 /nfs/dbraw/zinc/26/96/07/193269607.db2.gz XNEVKIVEOGQEIB-QAPCUYQASA-N 1 0 315.417 3.105 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597733 193273367 /nfs/dbraw/zinc/27/33/67/193273367.db2.gz VYKNTIFCIZUQIW-AWEZNQCLSA-N 1 0 324.900 3.115 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000120391205 284168089 /nfs/dbraw/zinc/16/80/89/284168089.db2.gz TUWGGJPYCZRCSS-NVXWUHKLSA-N 1 0 303.450 3.497 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)o1 ZINC000093690734 193289457 /nfs/dbraw/zinc/28/94/57/193289457.db2.gz INVHSZCNPHXXGI-MRXNPFEDSA-N 1 0 324.384 3.026 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](C[C@H]3CCCCO3)C2)c1 ZINC000246343900 432120856 /nfs/dbraw/zinc/12/08/56/432120856.db2.gz FLIXVNSLVPFSIN-GOEBONIOSA-N 1 0 305.418 3.062 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(F)c(Cl)cc1F ZINC000120504073 284171271 /nfs/dbraw/zinc/17/12/71/284171271.db2.gz YTZVONYOLQZNSP-SNVBAGLBSA-N 1 0 318.795 3.324 10 0 DGAERO COC(=O)c1ccccc1C[N@H+](CCc1nccs1)C(C)C ZINC000093764068 193301610 /nfs/dbraw/zinc/30/16/10/193301610.db2.gz XZXAMXRNZATRPS-UHFFFAOYSA-N 1 0 318.442 3.383 10 0 DGAERO CCOc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000093644248 193281158 /nfs/dbraw/zinc/28/11/58/193281158.db2.gz LAFXZJDQGRBXJA-ZBFHGGJFSA-N 1 0 306.450 3.008 10 0 DGAERO Cc1nn(-c2ccccc2)cc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643856 193281965 /nfs/dbraw/zinc/28/19/65/193281965.db2.gz AOYSGDVZVXSVNX-BEFAXECRSA-N 1 0 312.461 3.095 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000093643793 193282151 /nfs/dbraw/zinc/28/21/51/193282151.db2.gz GZFRBYJSOOXAEN-DGCLKSJQSA-N 1 0 316.367 3.342 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120627866 284173853 /nfs/dbraw/zinc/17/38/53/284173853.db2.gz LTOBIUXAVPEHJW-GOEBONIOSA-N 1 0 319.449 3.244 10 0 DGAERO C[C@H]1CCC[N@H+](CCNC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000120567575 284172623 /nfs/dbraw/zinc/17/26/23/284172623.db2.gz CINPHEUIEOJVTE-AWEZNQCLSA-N 1 0 324.415 3.136 10 0 DGAERO C[C@@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000094342012 193362551 /nfs/dbraw/zinc/36/25/51/193362551.db2.gz VNEMLWUDVSCVQO-MFKMUULPSA-N 1 0 303.233 3.041 10 0 DGAERO CCN(C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@@H](C)c1cccnc1 ZINC000115797810 284179199 /nfs/dbraw/zinc/17/91/99/284179199.db2.gz BGFYHWYDXCGFHE-HOTGVXAUSA-N 1 0 318.465 3.049 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(Cl)s1 ZINC000094369536 193366475 /nfs/dbraw/zinc/36/64/75/193366475.db2.gz YSBTYJZKPPPTQZ-MISXGVKJSA-N 1 0 301.839 3.390 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000094365594 193366567 /nfs/dbraw/zinc/36/65/67/193366567.db2.gz MKZOWIOUMMIYNA-OAHLLOKOSA-N 1 0 307.459 3.230 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000120892949 284180899 /nfs/dbraw/zinc/18/08/99/284180899.db2.gz HWBMAMQLVIIVFO-ZDUSSCGKSA-N 1 0 316.376 3.432 10 0 DGAERO CN(CC1CC1)C(=O)C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000481162803 244744655 /nfs/dbraw/zinc/74/46/55/244744655.db2.gz CZBHRHJJTJDVMO-MOPGFXCFSA-N 1 0 314.473 3.246 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1 ZINC000095089201 193421218 /nfs/dbraw/zinc/42/12/18/193421218.db2.gz WQYNZBOJGYADEO-KBPBESRZSA-N 1 0 307.438 3.312 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000120972902 284184111 /nfs/dbraw/zinc/18/41/11/284184111.db2.gz ZALYUKQLPSMFJD-KGLIPLIRSA-N 1 0 304.434 3.438 10 0 DGAERO Oc1cccc(N2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)c1 ZINC000121646928 284202947 /nfs/dbraw/zinc/20/29/47/284202947.db2.gz QIGCCSCKCGLOGL-NSCUHMNNSA-N 1 0 312.388 3.367 10 0 DGAERO CCn1nccc1C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000121812027 284206203 /nfs/dbraw/zinc/20/62/03/284206203.db2.gz HOXBDPZEMGBSDH-IBGZPJMESA-N 1 0 312.461 3.047 10 0 DGAERO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1c(Br)cnn1C ZINC000486988265 245010122 /nfs/dbraw/zinc/01/01/22/245010122.db2.gz IKLDLMCYVUILFV-UWVGGRQHSA-N 1 0 300.244 3.097 10 0 DGAERO CCCC1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246348309 432122121 /nfs/dbraw/zinc/12/21/21/432122121.db2.gz PEQCHUGCXFDGFO-ZGRYLRDCSA-N 1 0 309.498 3.469 10 0 DGAERO Cc1cccc([C@@H](C)C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000487274731 245043712 /nfs/dbraw/zinc/04/37/12/245043712.db2.gz GUBFLERGXDGALU-LBPRGKRZSA-N 1 0 322.250 3.384 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000487281936 245044627 /nfs/dbraw/zinc/04/46/27/245044627.db2.gz UADYMIWNQFMINT-ZYHUDNBSSA-N 1 0 314.271 3.487 10 0 DGAERO CC(C)CC1(C[NH2+]Cc2c(Br)cnn2C)CCC1 ZINC000487298494 245047678 /nfs/dbraw/zinc/04/76/78/245047678.db2.gz KEPUVCTUHFLTOZ-UHFFFAOYSA-N 1 0 314.271 3.489 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000487540500 245071378 /nfs/dbraw/zinc/07/13/78/245071378.db2.gz SECANTKFJCGCFG-KRWDZBQOSA-N 1 0 314.473 3.342 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000135496724 432123171 /nfs/dbraw/zinc/12/31/71/432123171.db2.gz YQVBRBWNNTYSMO-XJKSGUPXSA-N 1 0 320.864 3.313 10 0 DGAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000123682622 284243595 /nfs/dbraw/zinc/24/35/95/284243595.db2.gz NIFKYEUCHPNOEP-GUYCJALGSA-N 1 0 308.491 3.362 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1C ZINC000246358826 432123430 /nfs/dbraw/zinc/12/34/30/432123430.db2.gz XBYDIMWYOVKOPG-RNONSGAXSA-N 1 0 309.498 3.231 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000489551399 245323291 /nfs/dbraw/zinc/32/32/91/245323291.db2.gz LRWXALLOFMJGKA-NJAFHUGGSA-N 1 0 317.477 3.271 10 0 DGAERO COc1ccc(C[N@@H+]2CCc3cccc(OC)c3CC2)cc1F ZINC000489560873 245323830 /nfs/dbraw/zinc/32/38/30/245323830.db2.gz AOJWZAKGGBCLED-UHFFFAOYSA-N 1 0 315.388 3.444 10 0 DGAERO Cc1ccc(C[C@H](C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000181321652 432123733 /nfs/dbraw/zinc/12/37/33/432123733.db2.gz NGXAADADAVOMAR-BQFCYCMXSA-N 1 0 302.462 3.019 10 0 DGAERO COc1cc(C)cc(NC(=O)N(CC[NH+](C)C)CC(C)C)c1C ZINC000489737051 245340417 /nfs/dbraw/zinc/34/04/17/245340417.db2.gz MHOUITDJTBEVCK-UHFFFAOYSA-N 1 0 321.465 3.364 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([C@H](C)O)CC2)c1C ZINC000264714258 204094926 /nfs/dbraw/zinc/09/49/26/204094926.db2.gz LQEMNSJBHZYJKX-HNNXBMFYSA-N 1 0 303.446 3.407 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC000124292987 284256689 /nfs/dbraw/zinc/25/66/89/284256689.db2.gz KEGRLMIZHKZRJO-MRXNPFEDSA-N 1 0 322.330 3.137 10 0 DGAERO COc1cc(C)cc(NC(=O)NCCC2CC[NH+](C)CC2)c1C ZINC000489712850 245337442 /nfs/dbraw/zinc/33/74/42/245337442.db2.gz KXTDHMHNEUUONU-UHFFFAOYSA-N 1 0 319.449 3.165 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000181343843 432124166 /nfs/dbraw/zinc/12/41/66/432124166.db2.gz GDGCVENGQBDASU-PBHICJAKSA-N 1 0 310.445 3.461 10 0 DGAERO CCc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)oc1CC ZINC000125091159 284269859 /nfs/dbraw/zinc/26/98/59/284269859.db2.gz UADSSEXQNCKWFT-MRXNPFEDSA-N 1 0 318.461 3.495 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2ccccc2)n1 ZINC000246385921 432124742 /nfs/dbraw/zinc/12/47/42/432124742.db2.gz KEZAMRTYDHALMV-ROUUACIJSA-N 1 0 311.429 3.400 10 0 DGAERO COc1cc(CN(C)Cc2cc(-c3ccccc3)n[nH]2)ccc1O ZINC000126004192 284290176 /nfs/dbraw/zinc/29/01/76/284290176.db2.gz SEXYVAIFDZJLNY-UHFFFAOYSA-N 1 0 323.396 3.423 10 0 DGAERO COc1ccc2oc(C[NH2+][C@H]3CN(C(C)C)C[C@@H]3C)cc2c1 ZINC000126634424 284311974 /nfs/dbraw/zinc/31/19/74/284311974.db2.gz HRKHMAVILPLOQF-GUYCJALGSA-N 1 0 302.418 3.260 10 0 DGAERO COc1cccc(C[NH2+][C@@H]2CSC2(C)C)c1OC(F)F ZINC000282583932 217106070 /nfs/dbraw/zinc/10/60/70/217106070.db2.gz BRZZKUHOYQRABZ-LLVKDONJSA-N 1 0 303.374 3.280 10 0 DGAERO Cn1c(CN2CC[C@@H](Cc3ccccc3)C2)nnc1C1CCC1 ZINC000181375872 432125659 /nfs/dbraw/zinc/12/56/59/432125659.db2.gz OIXIIROBVSVZKL-INIZCTEOSA-N 1 0 310.445 3.147 10 0 DGAERO Cc1nc(CN(C)[C@H]2CCCc3c2cnn3C)nc2ccccc12 ZINC000135563957 432126084 /nfs/dbraw/zinc/12/60/84/432126084.db2.gz RTIQZXIWPATUHH-KRWDZBQOSA-N 1 0 321.428 3.181 10 0 DGAERO Fc1cc(C[NH2+]CCCOCC2CC2)ccc1Br ZINC000127374856 284337183 /nfs/dbraw/zinc/33/71/83/284337183.db2.gz WRGHEXNTTIXLQJ-UHFFFAOYSA-N 1 0 316.214 3.495 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000246405814 432127215 /nfs/dbraw/zinc/12/72/15/432127215.db2.gz KGLBGMQTLRMFFB-PBHICJAKSA-N 1 0 317.433 3.096 10 0 DGAERO CCc1cc(C)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000127458025 284340563 /nfs/dbraw/zinc/34/05/63/284340563.db2.gz MZLFIDJVWFVCHV-UHFFFAOYSA-N 1 0 304.434 3.098 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000246405139 432127349 /nfs/dbraw/zinc/12/73/49/432127349.db2.gz LYNCYRSHKZQWTN-TXPKVOOTSA-N 1 0 320.477 3.091 10 0 DGAERO CCc1cc(C(=O)NCc2nccn2CC(C)C)oc1CC ZINC000127516473 284342777 /nfs/dbraw/zinc/34/27/77/284342777.db2.gz ZLYSIFJOAGKYMQ-UHFFFAOYSA-N 1 0 303.406 3.187 10 0 DGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000246400186 432127674 /nfs/dbraw/zinc/12/76/74/432127674.db2.gz JRDBRRZHHHVNNL-CJNGLKHVSA-N 1 0 321.852 3.281 10 0 DGAERO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c(Cl)cc1F ZINC000128053929 284361937 /nfs/dbraw/zinc/36/19/37/284361937.db2.gz QHWQLXAFTGQQTJ-LBPRGKRZSA-N 1 0 312.816 3.344 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[C@H](C)C1 ZINC000246426764 432129025 /nfs/dbraw/zinc/12/90/25/432129025.db2.gz MFOYNCCZJBILBD-UTSKFRMZSA-N 1 0 309.498 3.183 10 0 DGAERO CCOc1ccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128390814 284373918 /nfs/dbraw/zinc/37/39/18/284373918.db2.gz XFUOQTNOJHWOPW-VQIMIIECSA-N 1 0 319.445 3.091 10 0 DGAERO CCCN(Cc1nnc(C2CC2)n1C1CC1)C[C@H]1CCCCO1 ZINC000181460544 432129400 /nfs/dbraw/zinc/12/94/00/432129400.db2.gz ZQWUFPCIEQOYLU-MRXNPFEDSA-N 1 0 318.465 3.272 10 0 DGAERO CCCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CCC1 ZINC000246438896 432129681 /nfs/dbraw/zinc/12/96/81/432129681.db2.gz NITFCTBQPYKOAJ-HZPDHXFCSA-N 1 0 309.498 3.329 10 0 DGAERO c1cc(C[NH2+][C@@H]2COc3ccccc3C2)n(-c2nccs2)c1 ZINC000019227330 182108917 /nfs/dbraw/zinc/10/89/17/182108917.db2.gz IDDSATMCMRIAMR-AWEZNQCLSA-N 1 0 311.410 3.027 10 0 DGAERO NC(=[NH2+])c1ccc(OCc2cc(Br)ccc2F)cc1 ZINC000019474439 182124646 /nfs/dbraw/zinc/12/46/46/182124646.db2.gz FCWZZRFRMMAQOT-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO [NH3+][C@H](c1ccc(Br)cc1)[C@H]1Cc2ccccc2O1 ZINC000019477147 182124709 /nfs/dbraw/zinc/12/47/09/182124709.db2.gz PPZFKDBYDCHVPD-HUUCEWRRSA-N 1 0 304.187 3.453 10 0 DGAERO [NH3+][C@@H]1CN(Cc2ccccc2)c2ccc(Br)cc21 ZINC000019795871 182151184 /nfs/dbraw/zinc/15/11/84/182151184.db2.gz IRHNTJOSEDWWHW-CQSZACIVSA-N 1 0 303.203 3.469 10 0 DGAERO COc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)c2ccccc12 ZINC000129349810 284406474 /nfs/dbraw/zinc/40/64/74/284406474.db2.gz SMWUCPFRXZWVBB-YEJXKQKISA-N 1 0 305.443 3.095 10 0 DGAERO CCC[C@@H](C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000019902540 182162458 /nfs/dbraw/zinc/16/24/58/182162458.db2.gz NTXOCEYHNSNRNS-SECBINFHSA-N 1 0 302.212 3.442 10 0 DGAERO CC(C)CCOc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)cc1 ZINC000129473194 284411420 /nfs/dbraw/zinc/41/14/20/284411420.db2.gz SHIUOZYGCUQJFQ-YCRPNKLZSA-N 1 0 311.491 3.358 10 0 DGAERO CC[C@@]1(C)C[N@H+](C[C@H](O)COc2ccccc2C(C)C)CCO1 ZINC000135660849 432131802 /nfs/dbraw/zinc/13/18/02/432131802.db2.gz FJYPYZBTPADVLU-LPHOPBHVSA-N 1 0 321.461 3.051 10 0 DGAERO C[C@@H]([NH3+])c1ccc(Sc2nnc3n2CCCCC3)c(F)c1 ZINC000019986972 182173481 /nfs/dbraw/zinc/17/34/81/182173481.db2.gz NWGNTMVFIWMQNP-SNVBAGLBSA-N 1 0 306.410 3.315 10 0 DGAERO COc1cccc([C@@H](C[NH3+])N(C)Cc2ccc(Cl)cc2)c1 ZINC000020225814 182198898 /nfs/dbraw/zinc/19/88/98/182198898.db2.gz WDAAWZJJLSSRCD-QGZVFWFLSA-N 1 0 304.821 3.480 10 0 DGAERO Cc1ccccc1SCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129812214 284423807 /nfs/dbraw/zinc/42/38/07/284423807.db2.gz HEFMXZREUASPAN-UHFFFAOYSA-N 1 0 320.502 3.324 10 0 DGAERO Cc1nc(CCCC(=O)NC2CCC(C[NH+](C)C)CC2)cs1 ZINC000130094519 284432519 /nfs/dbraw/zinc/43/25/19/284432519.db2.gz JVPXTYDHASBNHQ-UHFFFAOYSA-N 1 0 323.506 3.011 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2cnc(C(C)(C)C)s2)CC1 ZINC000130193846 284435629 /nfs/dbraw/zinc/43/56/29/284435629.db2.gz JGQCIFCWQKUWBB-UHFFFAOYSA-N 1 0 323.506 3.291 10 0 DGAERO CCCOc1c(C[NH2+]C2CC2)cc(Br)cc1OC ZINC000020934305 182255082 /nfs/dbraw/zinc/25/50/82/182255082.db2.gz QNHUSFFFHKVUON-UHFFFAOYSA-N 1 0 314.223 3.499 10 0 DGAERO CCCOc1ccc(Cl)cc1C[NH2+]CCCN1CCCC1=O ZINC000020929105 182254359 /nfs/dbraw/zinc/25/43/59/182254359.db2.gz VXADVMZGLVJABD-UHFFFAOYSA-N 1 0 324.852 3.231 10 0 DGAERO OCCC1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000097817573 193760554 /nfs/dbraw/zinc/76/05/54/193760554.db2.gz OIGKPEFXQKLLNR-UHFFFAOYSA-N 1 0 324.262 3.447 10 0 DGAERO CC(C)C[N@@H+]1CCO[C@@H](CSc2nc3ccccc3[nH]2)C1 ZINC000022090068 182308658 /nfs/dbraw/zinc/30/86/58/182308658.db2.gz SIQFSHZSFZYUEC-CYBMUJFWSA-N 1 0 305.447 3.012 10 0 DGAERO c1coc(-c2ncc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)s2)c1 ZINC000494951646 246213876 /nfs/dbraw/zinc/21/38/76/246213876.db2.gz NUJYBQFVZZYGIU-TZMCWYRMSA-N 1 0 304.415 3.404 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)[C@@H](C)C1 ZINC000246469960 432135009 /nfs/dbraw/zinc/13/50/09/432135009.db2.gz PVPIFYJXIMMJIU-VIQHNZTISA-N 1 0 309.498 3.183 10 0 DGAERO C[C@H]1CC(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000495335305 246259269 /nfs/dbraw/zinc/25/92/69/246259269.db2.gz FNVMVLGZXCODOG-STQMWFEESA-N 1 0 314.470 3.083 10 0 DGAERO Cc1nc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000181556385 432136256 /nfs/dbraw/zinc/13/62/56/432136256.db2.gz YRLOLVKAYFNZBY-RISCZKNCSA-N 1 0 321.490 3.143 10 0 DGAERO C[NH+](C)C1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000171498925 432138295 /nfs/dbraw/zinc/13/82/95/432138295.db2.gz LAOZXKWGJYPFIO-UHFFFAOYSA-N 1 0 321.371 3.146 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000246512310 432140129 /nfs/dbraw/zinc/14/01/29/432140129.db2.gz SZFZUXHPYPRZBF-XJKSGUPXSA-N 1 0 314.433 3.029 10 0 DGAERO Clc1ccc(SCC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171525338 432139623 /nfs/dbraw/zinc/13/96/23/432139623.db2.gz NUPCMFGZELJBBM-AWEZNQCLSA-N 1 0 322.865 3.361 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccccc1OC ZINC000181702209 432141792 /nfs/dbraw/zinc/14/17/92/432141792.db2.gz UYWPIDGLTLFCAJ-RDJZCZTQSA-N 1 0 311.429 3.410 10 0 DGAERO CCn1cc(C2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)cn1 ZINC000181652713 432141987 /nfs/dbraw/zinc/14/19/87/432141987.db2.gz FVXIKOJNDMWYPP-UHFFFAOYSA-N 1 0 321.465 3.204 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1OC ZINC000181755025 432142939 /nfs/dbraw/zinc/14/29/39/432142939.db2.gz HHBNBNOMOKMJBH-LSDHHAIUSA-N 1 0 317.433 3.094 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000190317845 432143036 /nfs/dbraw/zinc/14/30/36/432143036.db2.gz SNSZDRMLUOXZJU-CQSZACIVSA-N 1 0 305.418 3.279 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CN2CCC1CC2 ZINC000037000844 182860067 /nfs/dbraw/zinc/86/00/67/182860067.db2.gz KYGXBCWMGMLHEZ-MLGOLLRUSA-N 1 0 323.278 3.064 10 0 DGAERO Cc1ccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(Cl)c1 ZINC000246580051 432145550 /nfs/dbraw/zinc/14/55/50/432145550.db2.gz YCUKKYRANFJHBM-IUODEOHRSA-N 1 0 309.841 3.499 10 0 DGAERO COCc1ccsc1C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000181781487 432146115 /nfs/dbraw/zinc/14/61/15/432146115.db2.gz NHJYPKLAKFPMCY-UHFFFAOYSA-N 1 0 324.490 3.231 10 0 DGAERO Cc1[nH]nc(C(C)C)c1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000136162438 432146938 /nfs/dbraw/zinc/14/69/38/432146938.db2.gz RCKDLCAWYMTWQH-UHFFFAOYSA-N 1 0 320.481 3.083 10 0 DGAERO CC[C@@H]1CCCN1[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000037913334 182936463 /nfs/dbraw/zinc/93/64/63/182936463.db2.gz OZYFNZOLLWSDDX-RISCZKNCSA-N 1 0 315.230 3.462 10 0 DGAERO O=C(c1c(F)cccc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917317 182936666 /nfs/dbraw/zinc/93/66/66/182936666.db2.gz OJVDKKFEMNXBAU-SMDDNHRTSA-N 1 0 310.800 3.083 10 0 DGAERO Brc1ccc(-c2c[nH]c([C@@H]3CCC[NH2+]C3)n2)s1 ZINC000038002361 182958690 /nfs/dbraw/zinc/95/86/90/182958690.db2.gz MUZIFLVNWWKBEA-MRVPVSSYSA-N 1 0 312.236 3.368 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Cl)o1 ZINC000038097601 182989356 /nfs/dbraw/zinc/98/93/56/182989356.db2.gz MGLFXIUPBGHFDK-CHWSQXEVSA-N 1 0 309.793 3.332 10 0 DGAERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC000190359360 432149019 /nfs/dbraw/zinc/14/90/19/432149019.db2.gz JIIUBXAQRTUUBV-UHFFFAOYSA-N 1 0 312.498 3.161 10 0 DGAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000040854547 183142137 /nfs/dbraw/zinc/14/21/37/183142137.db2.gz ICCWULOVQRAZHB-NSHDSACASA-N 1 0 313.239 3.014 10 0 DGAERO C[NH2+]C[C@@H]1CCCCN1Cc1ccc(F)cc1Br ZINC000042407710 183265345 /nfs/dbraw/zinc/26/53/45/183265345.db2.gz JOCDQEJMKADNOH-ZDUSSCGKSA-N 1 0 315.230 3.162 10 0 DGAERO CN(Cc1csc(Br)c1)c1ncccc1C[NH3+] ZINC000042360046 183258412 /nfs/dbraw/zinc/25/84/12/183258412.db2.gz ZZZWVKMMCRFLIH-UHFFFAOYSA-N 1 0 312.236 3.001 10 0 DGAERO CCN([C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1)[C@@H](C)COC ZINC000042743137 183304539 /nfs/dbraw/zinc/30/45/39/183304539.db2.gz CNYWSDWKJKGSRT-HZMBPMFUSA-N 1 0 305.249 3.350 10 0 DGAERO CC[NH+](CC)CCNC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000042845840 183313469 /nfs/dbraw/zinc/31/34/69/183313469.db2.gz RDQSYLBBMFHVAV-KRWDZBQOSA-N 1 0 315.417 3.010 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)n1cc(Br)cn1 ZINC000042915957 183318543 /nfs/dbraw/zinc/31/85/43/183318543.db2.gz CCASSYLUFVSREN-QWHCGFSZSA-N 1 0 312.186 3.111 10 0 DGAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cc(Cl)cn1 ZINC000042956050 183322807 /nfs/dbraw/zinc/32/28/07/183322807.db2.gz MOMVHEHLJHCGDM-QPUJVOFHSA-N 1 0 314.614 3.236 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)n1cc(Br)cn1 ZINC000042973233 183324387 /nfs/dbraw/zinc/32/43/87/183324387.db2.gz JGGUUKYIOOBVOI-QWHCGFSZSA-N 1 0 312.186 3.111 10 0 DGAERO [NH3+]C[C@@H](c1cccc(Br)c1)n1cnc2ccccc21 ZINC000043022087 183329600 /nfs/dbraw/zinc/32/96/00/183329600.db2.gz XSJRQKLCILSPRO-HNNXBMFYSA-N 1 0 316.202 3.347 10 0 DGAERO C[C@@H]([NH3+])[C@@H](OC1CCOCC1)c1cccc(Br)c1 ZINC000043024020 183331338 /nfs/dbraw/zinc/33/13/38/183331338.db2.gz GRHZBROFRNHCGN-QMTHXVAHSA-N 1 0 314.223 3.033 10 0 DGAERO CC[C@H]([NH3+])[C@H](OCCCOC)c1ccccc1Br ZINC000043095484 183337312 /nfs/dbraw/zinc/33/73/12/183337312.db2.gz UEUYIMSGFLZOFD-UONOGXRCSA-N 1 0 316.239 3.281 10 0 DGAERO CCn1cc(C2CC[NH+](CCCCCn3cccn3)CC2)cn1 ZINC000104681457 194025787 /nfs/dbraw/zinc/02/57/87/194025787.db2.gz WOCXYFFXBGVOMD-UHFFFAOYSA-N 1 0 315.465 3.149 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000105080488 194070155 /nfs/dbraw/zinc/07/01/55/194070155.db2.gz GOVCITIKHKMGSF-WFASDCNBSA-N 1 0 309.841 3.137 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccco2)C2CCCC2)C1 ZINC000105174257 194082265 /nfs/dbraw/zinc/08/22/65/194082265.db2.gz SNIKMTMGSOFPHT-HNNXBMFYSA-N 1 0 319.449 3.218 10 0 DGAERO C=Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000185430337 284757340 /nfs/dbraw/zinc/75/73/40/284757340.db2.gz FSHQICKUHORRFT-IBGZPJMESA-N 1 0 308.425 3.232 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1F ZINC000105802373 194131972 /nfs/dbraw/zinc/13/19/72/194131972.db2.gz CJXOWDCIPZBOOV-JSGCOSHPSA-N 1 0 318.371 3.074 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1F)CC2 ZINC000105874362 194152631 /nfs/dbraw/zinc/15/26/31/194152631.db2.gz MGVRVKSJZPQDKE-DGCLKSJQSA-N 1 0 320.387 3.345 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000105884907 194157414 /nfs/dbraw/zinc/15/74/14/194157414.db2.gz MWJOCBUQLBBSCM-HNNXBMFYSA-N 1 0 320.387 3.085 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)c1 ZINC000105923259 194171716 /nfs/dbraw/zinc/17/17/16/194171716.db2.gz MIYBLNJWDVNSRZ-LJQANCHMSA-N 1 0 321.428 3.214 10 0 DGAERO C[C@@H](c1ccccc1Cl)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106068771 194184335 /nfs/dbraw/zinc/18/43/35/194184335.db2.gz LOJYQTXFZNGBTG-AWEZNQCLSA-N 1 0 316.836 3.403 10 0 DGAERO Cc1cnn(CC2C[N@H+](Cc3cccc4ccccc43)CCO2)c1 ZINC000106198373 194189077 /nfs/dbraw/zinc/18/90/77/194189077.db2.gz DQLVQKRJIOAGAM-IBGZPJMESA-N 1 0 321.424 3.246 10 0 DGAERO Fc1ccc(OCCC[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000106184652 194190024 /nfs/dbraw/zinc/19/00/24/194190024.db2.gz HRGZIBKJNNGKFM-UHFFFAOYSA-N 1 0 317.408 3.203 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1Cl ZINC000106424974 194211615 /nfs/dbraw/zinc/21/16/15/194211615.db2.gz LNDJUFFOFCYZAU-QGZVFWFLSA-N 1 0 316.832 3.129 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC1(c2ccccc2)CC1 ZINC000106428091 194212039 /nfs/dbraw/zinc/21/20/39/194212039.db2.gz WCFLUMGVPGCFLN-LJQANCHMSA-N 1 0 322.452 3.007 10 0 DGAERO c1ccc(CSCCC[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285347043 218391124 /nfs/dbraw/zinc/39/11/24/218391124.db2.gz PFQNSXUETPKCGI-SFHVURJKSA-N 1 0 321.486 3.191 10 0 DGAERO CC[C@H](C)COc1c(Br)cc(C[NH3+])cc1OC ZINC000050423964 183786000 /nfs/dbraw/zinc/78/60/00/183786000.db2.gz GTUHJDZCRCOPBS-VIFPVBQESA-N 1 0 302.212 3.341 10 0 DGAERO Cc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)cc1Br ZINC000109436785 194264098 /nfs/dbraw/zinc/26/40/98/194264098.db2.gz NKUPLFQWXCRBTG-CQSZACIVSA-N 1 0 319.202 3.396 10 0 DGAERO CCC[NH2+][C@H](CCc1ccccc1Br)COC ZINC000051696335 183834283 /nfs/dbraw/zinc/83/42/83/183834283.db2.gz WIKZTTBYYNSVBF-CYBMUJFWSA-N 1 0 300.240 3.396 10 0 DGAERO CCC[C@H](C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C)[NH+](C)C ZINC000245752860 284842174 /nfs/dbraw/zinc/84/21/74/284842174.db2.gz GZMBPUAHGDESIQ-UKPHBRMFSA-N 1 0 306.425 3.260 10 0 DGAERO CCn1ccnc1COc1ccc(Br)cc1[C@@H](C)[NH3+] ZINC000054743583 183949859 /nfs/dbraw/zinc/94/98/59/183949859.db2.gz BJJRLBCRINQEEV-SNVBAGLBSA-N 1 0 324.222 3.264 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246043669 284863193 /nfs/dbraw/zinc/86/31/93/284863193.db2.gz SIFSEJRDBJNAMM-ILXRZTDVSA-N 1 0 324.415 3.161 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000056507867 184014046 /nfs/dbraw/zinc/01/40/46/184014046.db2.gz KLVUNDHVMGABBV-IXDOHACOSA-N 1 0 324.509 3.301 10 0 DGAERO COc1ccc(C[NH2+]Cc2ccc(O)c(Br)c2)cc1 ZINC000057901547 184061526 /nfs/dbraw/zinc/06/15/26/184061526.db2.gz PPBURIRSEJOKII-UHFFFAOYSA-N 1 0 322.202 3.453 10 0 DGAERO O=C1NCC[C@H]1[NH2+][C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000178992442 284894367 /nfs/dbraw/zinc/89/43/67/284894367.db2.gz MEQSQTGWVPJDNV-SJORKVTESA-N 1 0 320.864 3.310 10 0 DGAERO C[NH2+]CC1(Cc2cc(F)ccc2Br)CCOCC1 ZINC000061674033 184181787 /nfs/dbraw/zinc/18/17/87/184181787.db2.gz LJZPFRJCAOKJDZ-UHFFFAOYSA-N 1 0 316.214 3.147 10 0 DGAERO C[C@@H](CNc1ccc(Br)cc1N)C[NH+]1CCCC1 ZINC000062069878 184204257 /nfs/dbraw/zinc/20/42/57/184204257.db2.gz UTIWUXCCUWRLHC-NSHDSACASA-N 1 0 312.255 3.175 10 0 DGAERO CSc1ccc(Cl)c(C(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000062837704 184255499 /nfs/dbraw/zinc/25/54/99/184255499.db2.gz JAAFHDQZUDJKCG-OAHLLOKOSA-N 1 0 320.845 3.492 10 0 DGAERO [NH3+][C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000062837672 184255763 /nfs/dbraw/zinc/25/57/63/184255763.db2.gz TYKKLZCLSDTJQF-OAHLLOKOSA-N 1 0 323.223 3.352 10 0 DGAERO CN(Cc1cccc(Br)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862381 184257066 /nfs/dbraw/zinc/25/70/66/184257066.db2.gz GRPKBUIVTOKQHP-HNNXBMFYSA-N 1 0 311.267 3.271 10 0 DGAERO Nc1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(Br)c1 ZINC000062976058 184264389 /nfs/dbraw/zinc/26/43/89/184264389.db2.gz CMIJVEPFYXPJEB-CYBMUJFWSA-N 1 0 324.266 3.096 10 0 DGAERO Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000063022323 184267541 /nfs/dbraw/zinc/26/75/41/184267541.db2.gz OVTFKXGVGGVMDH-GDBMZVCRSA-N 1 0 306.837 3.253 10 0 DGAERO Nc1[nH+]c2cc(Br)ccc2n1Cc1ccsc1 ZINC000063153787 184274445 /nfs/dbraw/zinc/27/44/45/184274445.db2.gz WIUZYDHWWGYOBL-UHFFFAOYSA-N 1 0 308.204 3.491 10 0 DGAERO C[C@@H](CNC(=O)c1cccc2ncccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000063756248 184288142 /nfs/dbraw/zinc/28/81/42/184288142.db2.gz YDYGUWIRMZCKKL-GJZGRUSLSA-N 1 0 311.429 3.085 10 0 DGAERO c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000065314281 184324629 /nfs/dbraw/zinc/32/46/29/184324629.db2.gz FVNABJMMLSFTML-INIZCTEOSA-N 1 0 319.412 3.246 10 0 DGAERO CCCOc1ccccc1C(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000065435119 184345057 /nfs/dbraw/zinc/34/50/57/184345057.db2.gz CFIDFQNGTFXFMX-UHFFFAOYSA-N 1 0 316.445 3.033 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000248143555 284985449 /nfs/dbraw/zinc/98/54/49/284985449.db2.gz PXIMCVSRNLABAN-SOUVJXGZSA-N 1 0 315.335 3.466 10 0 DGAERO CN1C(=O)C[C@H]([NH2+][C@H]2CCCSC2)[C@@H]1c1ccc(Cl)cc1 ZINC000248385777 284991141 /nfs/dbraw/zinc/99/11/41/284991141.db2.gz JXXTWEOCXAPEST-DZKIICNBSA-N 1 0 324.877 3.097 10 0 DGAERO CC[NH+](CC)CCCNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000116714690 194764544 /nfs/dbraw/zinc/76/45/44/194764544.db2.gz OTHQLZLVZWKQJG-UHFFFAOYSA-N 1 0 305.397 3.077 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000248553622 285004870 /nfs/dbraw/zinc/00/48/70/285004870.db2.gz HLXQIDYWYVXHFF-HUUCEWRRSA-N 1 0 314.395 3.434 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)[C@H]2CSc3ccccc32)CC1 ZINC000118324711 194887552 /nfs/dbraw/zinc/88/75/52/194887552.db2.gz UAPYFVLYFRUWPF-INIZCTEOSA-N 1 0 318.486 3.114 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000248620086 285011356 /nfs/dbraw/zinc/01/13/56/285011356.db2.gz KUAQRMOFCPGXPF-IUODEOHRSA-N 1 0 300.402 3.153 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(C)C)[C@@H]1CCCO1 ZINC000248628276 285011843 /nfs/dbraw/zinc/01/18/43/285011843.db2.gz VSVXUTJPPTTXPP-AYBZRNKSSA-N 1 0 321.461 3.097 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)[C@@H](C)C1 ZINC000248603896 285009766 /nfs/dbraw/zinc/00/97/66/285009766.db2.gz JNIZKXVLFWZMJY-NNXHMXCWSA-N 1 0 309.498 3.183 10 0 DGAERO CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248662791 285016317 /nfs/dbraw/zinc/01/63/17/285016317.db2.gz HIBGJUFSPLGYIF-QFBILLFUSA-N 1 0 316.489 3.216 10 0 DGAERO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1cc2ccccc2o1 ZINC000262256272 207677346 /nfs/dbraw/zinc/67/73/46/207677346.db2.gz TXFQKZDRAAAUGG-FRIZHTMISA-N 1 0 312.413 3.390 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1C ZINC000248742971 285022303 /nfs/dbraw/zinc/02/23/03/285022303.db2.gz RQXMOCQSNYOIPI-KGLIPLIRSA-N 1 0 306.837 3.347 10 0 DGAERO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H]3CC=CCC3)cn2)C[C@H](C)O1 ZINC000119068290 194967973 /nfs/dbraw/zinc/96/79/73/194967973.db2.gz GQWJFIHCLKKLIF-BBWFWOEESA-N 1 0 315.461 3.141 10 0 DGAERO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC000248859807 285033129 /nfs/dbraw/zinc/03/31/29/285033129.db2.gz RUZVNIARNTUXTC-YJLNNSPDSA-N 1 0 324.424 3.317 10 0 DGAERO CC(C)COc1ccc(C(C)(C)CNC(=O)CC[C@H](C)[NH3+])cc1 ZINC000193245723 252759533 /nfs/dbraw/zinc/75/95/33/252759533.db2.gz CCNSEURJEZMGLP-HNNXBMFYSA-N 1 0 320.477 3.243 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000248883942 285035627 /nfs/dbraw/zinc/03/56/27/285035627.db2.gz LOIBQGBYSDBLDR-RDJZCZTQSA-N 1 0 311.514 3.286 10 0 DGAERO CC(C)[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CCOCC1 ZINC000119633302 195006755 /nfs/dbraw/zinc/00/67/55/195006755.db2.gz WWKTZNFPQXWZBF-WMZOPIPTSA-N 1 0 322.493 3.057 10 0 DGAERO CC[C@@H]1C[N@H+](CC[C@H](C)c2ccccc2)CCN1CCOC ZINC000248990230 285044328 /nfs/dbraw/zinc/04/43/28/285044328.db2.gz NFIXHMDUHIZIQR-PKOBYXMFSA-N 1 0 304.478 3.223 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000119859790 195050959 /nfs/dbraw/zinc/05/09/59/195050959.db2.gz IDMPTKAPYYOEGN-HNNXBMFYSA-N 1 0 306.475 3.187 10 0 DGAERO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000249037265 285048035 /nfs/dbraw/zinc/04/80/35/285048035.db2.gz UGWVWSMXGLAPJL-PMPSAXMXSA-N 1 0 317.477 3.364 10 0 DGAERO O[C@@H](CC1CCCC1)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000249040582 285048658 /nfs/dbraw/zinc/04/86/58/285048658.db2.gz GQLMJKWMSJVKJU-ICSRJNTNSA-N 1 0 315.457 3.102 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000119987510 195075440 /nfs/dbraw/zinc/07/54/40/195075440.db2.gz UDCGLYKRGYSUCY-UONOGXRCSA-N 1 0 311.857 3.109 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2C)C12CCOCC2 ZINC000249065322 285051730 /nfs/dbraw/zinc/05/17/30/285051730.db2.gz ZHLJCMQFVHTHNO-ZWQIFLOQSA-N 1 0 315.457 3.484 10 0 DGAERO C[C@@]1(c2ccccc2)C[N@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000249102833 285055604 /nfs/dbraw/zinc/05/56/04/285055604.db2.gz PWKIDSFHULYPEM-OALUTQOASA-N 1 0 303.446 3.175 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(Br)cs1 ZINC000300233764 252885740 /nfs/dbraw/zinc/88/57/40/252885740.db2.gz LTUOBYRESZMIAT-ATZCPNFKSA-N 1 0 304.253 3.322 10 0 DGAERO CCC[C@H](C)[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249268532 285065665 /nfs/dbraw/zinc/06/56/65/285065665.db2.gz IUUJNBITSARYHR-JKSUJKDBSA-N 1 0 312.498 3.303 10 0 DGAERO c1cnc(N2CCC[C@H]([NH2+]Cc3cccc(C4CC4)c3)C2)nc1 ZINC000336867342 253013887 /nfs/dbraw/zinc/01/38/87/253013887.db2.gz MKEXVUQTXLXTSG-SFHVURJKSA-N 1 0 308.429 3.113 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000249508551 285077283 /nfs/dbraw/zinc/07/72/83/285077283.db2.gz LDJXAISIAOVKCO-JOCBIADPSA-N 1 0 321.509 3.231 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000336784957 253000709 /nfs/dbraw/zinc/00/07/09/253000709.db2.gz ALJRTKSRFWDQEV-GXFFZTMASA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CCn2cc(Br)cn2)CC(C)(C)C1 ZINC000336792076 253002294 /nfs/dbraw/zinc/00/22/94/253002294.db2.gz QJOMYQQVBRTTMY-AAEUAGOBSA-N 1 0 314.271 3.450 10 0 DGAERO c1cn(-c2csc(C[NH2+][C@@H]3CCCC34CCOCC4)c2)cn1 ZINC000337305143 253083061 /nfs/dbraw/zinc/08/30/61/253083061.db2.gz RDPIHKZZPUIWAL-MRXNPFEDSA-N 1 0 317.458 3.373 10 0 DGAERO COC[C@H](C)C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000249853001 285089919 /nfs/dbraw/zinc/08/99/19/285089919.db2.gz PTXIQNNNPYCOCX-UGFHNGPFSA-N 1 0 317.351 3.096 10 0 DGAERO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@H](C)Cn1cncn1 ZINC000337348856 253093531 /nfs/dbraw/zinc/09/35/31/253093531.db2.gz ZMZPBDFWYUMYTL-BWODNOAJSA-N 1 0 324.350 3.379 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC[C@H]1C ZINC000252009952 285101379 /nfs/dbraw/zinc/10/13/79/285101379.db2.gz XMLQKGFMKVGGNT-VNHYZAJKSA-N 1 0 301.390 3.154 10 0 DGAERO CCc1ccc(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000252643143 285103157 /nfs/dbraw/zinc/10/31/57/285103157.db2.gz JLLJUVYJPCCJII-MAUKXSAKSA-N 1 0 316.489 3.468 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H](C)c1cccc(F)c1 ZINC000253548383 285110353 /nfs/dbraw/zinc/11/03/53/285110353.db2.gz HCPRCVWRBMPQOO-BMGDILEWSA-N 1 0 318.436 3.405 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@H]1CSC1(C)C ZINC000338476247 253294254 /nfs/dbraw/zinc/29/42/54/253294254.db2.gz FCLVSLOLCCUIKC-LBPRGKRZSA-N 1 0 316.264 3.441 10 0 DGAERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1 ZINC000159175929 197332624 /nfs/dbraw/zinc/33/26/24/197332624.db2.gz YZSMEYXTEZGMRV-KDOFPFPSSA-N 1 0 314.404 3.176 10 0 DGAERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccs1 ZINC000159066625 197323622 /nfs/dbraw/zinc/32/36/22/197323622.db2.gz IQESBZLZNKERBY-HIFRSBDPSA-N 1 0 302.443 3.098 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC/C=C\c2ccccc2)C1 ZINC000255024872 285120726 /nfs/dbraw/zinc/12/07/26/285120726.db2.gz CVZNVJNCLVZQKV-OEPRFQHASA-N 1 0 315.461 3.119 10 0 DGAERO c1cnn(-c2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)c2)c1 ZINC000339052657 253397680 /nfs/dbraw/zinc/39/76/80/253397680.db2.gz NGJPQJCWTZSATC-QRVBRYPASA-N 1 0 323.440 3.310 10 0 DGAERO CC[C@@H]1CN(C/C=C\c2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC000255144435 285134478 /nfs/dbraw/zinc/13/44/78/285134478.db2.gz DKAJRYVBDZNVST-PYTPGESOSA-N 1 0 322.880 3.396 10 0 DGAERO CCN(c1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1)C(C)C ZINC000261774738 285145396 /nfs/dbraw/zinc/14/53/96/285145396.db2.gz KQAIMLYEMWYQNQ-MAUKXSAKSA-N 1 0 317.477 3.121 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000255471893 285157517 /nfs/dbraw/zinc/15/75/17/285157517.db2.gz KMGKJPLNELZYIA-NNCADPFVSA-N 1 0 304.409 3.218 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]Cc1cnnn1C ZINC000342238499 253951350 /nfs/dbraw/zinc/95/13/50/253951350.db2.gz CRMOKIPQCQWUPH-WDZFZDKYSA-N 1 0 310.323 3.027 10 0 DGAERO Cc1ccc(/C=C\CC(=O)NC[C@@H](c2ccco2)N(C)C)cc1 ZINC000255539887 285162325 /nfs/dbraw/zinc/16/23/25/285162325.db2.gz NGEDKBALGHVQEV-AATOQMJSSA-N 1 0 312.413 3.410 10 0 DGAERO CO[C@@H](C)C[N@H+](Cc1cncc(Br)c1)C(C)C ZINC000343543163 254158734 /nfs/dbraw/zinc/15/87/34/254158734.db2.gz XHDLLEISKFDPJK-NSHDSACASA-N 1 0 301.228 3.089 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]2CC(C)C)CC1 ZINC000466090107 285184383 /nfs/dbraw/zinc/18/43/83/285184383.db2.gz FWRZICGYTAFVTE-KRWDZBQOSA-N 1 0 309.498 3.329 10 0 DGAERO CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262532250 285195550 /nfs/dbraw/zinc/19/55/50/285195550.db2.gz NZTBAPKLANPYDA-BDXSIMOUSA-N 1 0 300.446 3.045 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)c2cccc(C)c2)o1 ZINC000156477195 197116252 /nfs/dbraw/zinc/11/62/52/197116252.db2.gz FWQUOAPGCCSCFY-HNNXBMFYSA-N 1 0 321.442 3.411 10 0 DGAERO CSCCCC(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000120344706 195147529 /nfs/dbraw/zinc/14/75/29/195147529.db2.gz XIZFEAXSMMZFTA-UHFFFAOYSA-N 1 0 321.490 3.221 10 0 DGAERO COC(=O)[C@@]12CCC[C@@H]1CN(c1cc[nH+]c3cc(F)ccc31)C2 ZINC000302148646 533154300 /nfs/dbraw/zinc/15/43/00/533154300.db2.gz HFNDAPHIUUXVBY-KZULUSFZSA-N 1 0 314.360 3.153 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000120350727 195149592 /nfs/dbraw/zinc/14/95/92/195149592.db2.gz FALZYFBYVGOYLI-CMPZQBNXSA-N 1 0 310.507 3.051 10 0 DGAERO COc1cccc([C@H](C)CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155288052 197040362 /nfs/dbraw/zinc/04/03/62/197040362.db2.gz JKHDTTWAGAOBFC-VKJFTORMSA-N 1 0 318.461 3.034 10 0 DGAERO COc1cccc(OCC[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000155037741 197016058 /nfs/dbraw/zinc/01/60/58/197016058.db2.gz SSPHFFITOXTAKV-UHFFFAOYSA-N 1 0 306.793 3.254 10 0 DGAERO Cc1c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cccc1-c1ccccn1 ZINC000155103535 197022425 /nfs/dbraw/zinc/02/24/25/197022425.db2.gz GGFYPWVOKUVNTH-HUUCEWRRSA-N 1 0 323.440 3.222 10 0 DGAERO OCCC1([NH2+]Cc2cscc2Br)CCCC1 ZINC000285527393 285235983 /nfs/dbraw/zinc/23/59/83/285235983.db2.gz OTLOYSSQAMYOJM-UHFFFAOYSA-N 1 0 304.253 3.295 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000120370131 195153805 /nfs/dbraw/zinc/15/38/05/195153805.db2.gz NJJBGMADEZQJLG-NVXWUHKLSA-N 1 0 303.450 3.497 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000120412640 195162077 /nfs/dbraw/zinc/16/20/77/195162077.db2.gz JKXQEUZSGKVIJZ-RDTXWAMCSA-N 1 0 315.461 3.369 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)C1 ZINC000174239359 285266577 /nfs/dbraw/zinc/26/65/77/285266577.db2.gz CBHUOOUVKBENMT-HRCADAONSA-N 1 0 319.449 3.247 10 0 DGAERO C[N@H+](CCCC1CCCC1)C1CCN(CCn2cccn2)CC1 ZINC000120487652 195175935 /nfs/dbraw/zinc/17/59/35/195175935.db2.gz WRVFTDMLEVVTMJ-UHFFFAOYSA-N 1 0 318.509 3.250 10 0 DGAERO Cc1nc2cc(NC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)ccc2o1 ZINC000120575144 195194297 /nfs/dbraw/zinc/19/42/97/195194297.db2.gz ZMJVWJWYFHQDKU-GRYCIOLGSA-N 1 0 301.390 3.336 10 0 DGAERO COCCC1(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000151188462 533207022 /nfs/dbraw/zinc/20/70/22/533207022.db2.gz CGCAEUNNDKDFOU-UHFFFAOYSA-N 1 0 316.214 3.495 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)CCC2 ZINC000120700360 195219587 /nfs/dbraw/zinc/21/95/87/195219587.db2.gz GSAIQWSJJTUNNU-ZUZCIYMTSA-N 1 0 318.490 3.400 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1 ZINC000120714185 195222367 /nfs/dbraw/zinc/22/23/67/195222367.db2.gz USRZNMCEPCRAJD-QWHCGFSZSA-N 1 0 301.434 3.327 10 0 DGAERO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CCCCO1 ZINC000120730671 195225728 /nfs/dbraw/zinc/22/57/28/195225728.db2.gz RPHXTSUAQXUHET-MRXNPFEDSA-N 1 0 307.434 3.485 10 0 DGAERO C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000175385211 533210277 /nfs/dbraw/zinc/21/02/77/533210277.db2.gz IDACAPHLFVSIKU-DNVCBOLYSA-N 1 0 308.425 3.250 10 0 DGAERO O=C(c1cccc(Cl)c1F)N1CCC([NH+]2CCCC2)CC1 ZINC000152000959 196757339 /nfs/dbraw/zinc/75/73/39/196757339.db2.gz QUPAVPSZFQHGAH-UHFFFAOYSA-N 1 0 310.800 3.180 10 0 DGAERO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](c4nc(C)no4)O[C@H]3C2)s1 ZINC000248016962 257111719 /nfs/dbraw/zinc/11/17/19/257111719.db2.gz KTFSDTQXIZIWTA-SNPRPXQTSA-N 1 0 319.430 3.100 10 0 DGAERO Cc1csc(C[C@@H]2OC[C@@H]3C[N@H+](Cc4ccoc4)CC[C@@H]32)n1 ZINC000247942036 257114258 /nfs/dbraw/zinc/11/42/58/257114258.db2.gz GWTQTJNHKPQJQS-JYJNAYRXSA-N 1 0 318.442 3.124 10 0 DGAERO COc1cccc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000396184463 257103014 /nfs/dbraw/zinc/10/30/14/257103014.db2.gz RZNACCKHAQMIRP-QZTJIDSGSA-N 1 0 308.425 3.263 10 0 DGAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000396758665 257103154 /nfs/dbraw/zinc/10/31/54/257103154.db2.gz HHZGTMZDNZKBAJ-DOMZBBRYSA-N 1 0 306.406 3.095 10 0 DGAERO Cc1ccsc1C[N@@H+]1CC[C@@H]2C[C@@H](c3ccncn3)O[C@H]2C1 ZINC000253599896 257104481 /nfs/dbraw/zinc/10/44/81/257104481.db2.gz WNYALPVWUZZYGB-KBMXLJTQSA-N 1 0 315.442 3.199 10 0 DGAERO O=C(c1ccco1)N1C[C@@H]2CCC[N@H+](Cc3ccsc3)[C@@H]2C1 ZINC000253616193 257104832 /nfs/dbraw/zinc/10/48/32/257104832.db2.gz MEZKWMXYOFAEDW-LSDHHAIUSA-N 1 0 316.426 3.078 10 0 DGAERO O=C1CC[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)[C@H](C2CC2)N1 ZINC000367458242 257236281 /nfs/dbraw/zinc/23/62/81/257236281.db2.gz KCYCLEGQOOJBIJ-QUCCMNQESA-N 1 0 318.420 3.403 10 0 DGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000248443667 285339970 /nfs/dbraw/zinc/33/99/70/285339970.db2.gz LPWZJAFDKQXNKF-JENIJYKNSA-N 1 0 313.372 3.287 10 0 DGAERO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2cccc(Cl)c2)no1 ZINC000121004938 195278226 /nfs/dbraw/zinc/27/82/26/195278226.db2.gz MRVKEUZPQYAFRC-LLVKDONJSA-N 1 0 307.781 3.316 10 0 DGAERO Cn1ccnc1CC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000121782250 195345961 /nfs/dbraw/zinc/34/59/61/195345961.db2.gz WEDOAJPRMHQJSP-UHFFFAOYSA-N 1 0 323.440 3.151 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc(C(F)F)c2)[C@@H](C)C1 ZINC000121957299 195381289 /nfs/dbraw/zinc/38/12/89/195381289.db2.gz VNZSUOXVRMCFGO-FZMZJTMJSA-N 1 0 311.376 3.474 10 0 DGAERO Cn1nccc1C1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000121964169 195382615 /nfs/dbraw/zinc/38/26/15/195382615.db2.gz MNWZBSKTOVUCAA-UHFFFAOYSA-N 1 0 315.392 3.012 10 0 DGAERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000125440430 195748889 /nfs/dbraw/zinc/74/88/89/195748889.db2.gz FOPAEHKNVUINTP-LPHOPBHVSA-N 1 0 305.462 3.325 10 0 DGAERO Cc1nn(-c2ccccc2)cc1CN1CCC([NH+]2CCCC2)CC1 ZINC000127700917 195901934 /nfs/dbraw/zinc/90/19/34/195901934.db2.gz QXIXRAURUKPRIF-UHFFFAOYSA-N 1 0 324.472 3.241 10 0 DGAERO COc1ccc(CC[NH2+][C@H](c2nccn2C)C2CC2)c(Cl)c1 ZINC000127801840 195911727 /nfs/dbraw/zinc/91/17/27/195911727.db2.gz DOTWVYAXACLKNC-INIZCTEOSA-N 1 0 319.836 3.366 10 0 DGAERO COC(=O)[C@]12CCC[C@@H]1CN(c1cc[nH+]c3cc(F)ccc31)C2 ZINC000302148648 533639399 /nfs/dbraw/zinc/63/93/99/533639399.db2.gz HFNDAPHIUUXVBY-XIKOKIGWSA-N 1 0 314.360 3.153 10 0 DGAERO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000183210779 285484312 /nfs/dbraw/zinc/48/43/12/285484312.db2.gz YLGSLGDJYBCPDH-INIZCTEOSA-N 1 0 318.461 3.269 10 0 DGAERO Cc1ccc(CN2CCCC[C@@H]2CC[NH3+])c(Br)c1 ZINC000164119036 132130192 /nfs/dbraw/zinc/13/01/92/132130192.db2.gz CHRMIDQHAGJAIL-CQSZACIVSA-N 1 0 311.267 3.461 10 0 DGAERO c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]CCc1ccccc1)CCC2 ZINC000012208134 285592841 /nfs/dbraw/zinc/59/28/41/285592841.db2.gz LDIXRCJOZFECEQ-SFHVURJKSA-N 1 0 318.424 3.477 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000616114247 400085728 /nfs/dbraw/zinc/08/57/28/400085728.db2.gz PJBUPLNJWOYQFG-VNQPRFMTSA-N 1 0 305.418 3.084 10 0 DGAERO C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C[NH3+])[C@@H]1CCC2=O ZINC000006067843 400091049 /nfs/dbraw/zinc/09/10/49/400091049.db2.gz WNNJNJHARHJMJK-BGJMDTOESA-N 1 0 301.430 3.026 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)c1 ZINC000066695795 400108803 /nfs/dbraw/zinc/10/88/03/400108803.db2.gz UORBGIYWFXPSSN-RDJZCZTQSA-N 1 0 305.418 3.410 10 0 DGAERO C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000323633201 400176350 /nfs/dbraw/zinc/17/63/50/400176350.db2.gz QNYLGZCZIDSDHB-OQIJWPOYSA-N 1 0 312.457 3.013 10 0 DGAERO [NH3+]CCN1C[C@H](c2cccc3ncccc32)Nc2ccccc21 ZINC000616585048 400178134 /nfs/dbraw/zinc/17/81/34/400178134.db2.gz PAJVEZIBPZUBPG-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2ccnc3ccccc32)cc1 ZINC000616636820 400189025 /nfs/dbraw/zinc/18/90/25/400189025.db2.gz ZNXKVYMMWXJVNC-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccc2cnccc21 ZINC000616601368 400181745 /nfs/dbraw/zinc/18/17/45/400181745.db2.gz GPBHMSQJIZLKPW-MRXNPFEDSA-N 1 0 313.401 3.116 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC[NH3+])cc1 ZINC000616608205 400183088 /nfs/dbraw/zinc/18/30/88/400183088.db2.gz OHQJFPIOFKRIMP-INIZCTEOSA-N 1 0 319.449 3.154 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H]1c1ccccc1N ZINC000616616796 400185460 /nfs/dbraw/zinc/18/54/60/400185460.db2.gz YDRFFFFQKQGDJF-INIZCTEOSA-N 1 0 319.449 3.321 10 0 DGAERO C[C@@H]1Cc2c(Br)cc(Br)cc2C[NH2+]1 ZINC000306931734 400127643 /nfs/dbraw/zinc/12/76/43/400127643.db2.gz CSTIQUGAUOPNLC-ZCFIWIBFSA-N 1 0 305.013 3.246 10 0 DGAERO CC[N@@H+]1CCN[C@H](c2ccccc2N(C)C(=O)OC(C)(C)C)C1 ZINC000616631964 400187437 /nfs/dbraw/zinc/18/74/37/400187437.db2.gz BNQMSDQAYMGGNR-HNNXBMFYSA-N 1 0 319.449 3.024 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccccc1)c1ccco1 ZINC000067276832 400158039 /nfs/dbraw/zinc/15/80/39/400158039.db2.gz UIFBEZDEPPLMFW-INIZCTEOSA-N 1 0 300.402 3.021 10 0 DGAERO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000379603028 400256072 /nfs/dbraw/zinc/25/60/72/400256072.db2.gz DVWOELGGIAFKFP-BJWYYQGGSA-N 1 0 300.446 3.059 10 0 DGAERO NC(=O)c1csc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000093686703 400251356 /nfs/dbraw/zinc/25/13/56/400251356.db2.gz YVEQYBROCOWPTL-WDEREUQCSA-N 1 0 306.353 3.058 10 0 DGAERO CCOC(=O)c1ccccc1[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616632950 400189756 /nfs/dbraw/zinc/18/97/56/400189756.db2.gz ZPLXKLPTNFAFQN-IBGZPJMESA-N 1 0 324.424 3.010 10 0 DGAERO CCN1CCOC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC000616642148 400191462 /nfs/dbraw/zinc/19/14/62/400191462.db2.gz XCUVPPVMZAFUHL-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO c1ccc(C[NH2+][C@H]2CCCN(c3nc(C4CC4)ns3)C2)cc1 ZINC000092675808 400193543 /nfs/dbraw/zinc/19/35/43/400193543.db2.gz IYOPKAPDORGRBG-HNNXBMFYSA-N 1 0 314.458 3.174 10 0 DGAERO OCCc1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000616652851 400193802 /nfs/dbraw/zinc/19/38/02/400193802.db2.gz POTGRRICSYCNPW-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cccc2cccnc21 ZINC000616681364 400201991 /nfs/dbraw/zinc/20/19/91/400201991.db2.gz XEKYGMSYPVSRGI-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccnc2ccccc21 ZINC000616680016 400202095 /nfs/dbraw/zinc/20/20/95/400202095.db2.gz KKJPCSTUYQBBLL-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccc2ccncc2c1 ZINC000616691015 400205754 /nfs/dbraw/zinc/20/57/54/400205754.db2.gz BJRJAPOPORNXNW-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cccc2cnccc21 ZINC000616693350 400206660 /nfs/dbraw/zinc/20/66/60/400206660.db2.gz YCWAOCURCCLGQR-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO CC[NH+](CC)C[C@@H](C)NCc1ccsc1Br ZINC000388992953 400267995 /nfs/dbraw/zinc/26/79/95/400267995.db2.gz VOPFOMLYJKKCIY-SNVBAGLBSA-N 1 0 305.285 3.331 10 0 DGAERO [NH3+]C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000401772429 400292214 /nfs/dbraw/zinc/29/22/14/400292214.db2.gz KJMGRWNIDHVSSR-MRVPVSSYSA-N 1 0 316.110 3.005 10 0 DGAERO CC1(/C=C\c2nc(CC34CCC[NH+]3CCC4)no2)CCOCC1 ZINC000428350792 400302792 /nfs/dbraw/zinc/30/27/92/400302792.db2.gz DNRTUPZDQLAFTL-DAXSKMNVSA-N 1 0 317.433 3.070 10 0 DGAERO Nc1cc2c(ccn(C3CC[NH+](Cc4ccccc4)CC3)c2=O)o1 ZINC000514278488 400308827 /nfs/dbraw/zinc/30/88/27/400308827.db2.gz UFYQFUXIFABXRC-UHFFFAOYSA-N 1 0 323.396 3.014 10 0 DGAERO c1ccc(N2CCC([NH2+]Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000589643271 400317114 /nfs/dbraw/zinc/31/71/14/400317114.db2.gz OGUMMFSFRDCPSC-UHFFFAOYSA-N 1 0 306.413 3.322 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1Cl ZINC000105080343 400318499 /nfs/dbraw/zinc/31/84/99/400318499.db2.gz HCQBJFUUIUXHBX-UONOGXRCSA-N 1 0 321.852 3.281 10 0 DGAERO O=C(Nc1ccccc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917458 400394662 /nfs/dbraw/zinc/39/46/62/400394662.db2.gz VQJBWXOHDDAXAO-OCCSQVGLSA-N 1 0 307.825 3.336 10 0 DGAERO COc1ccc([C@@H](NC(=O)C[NH2+][C@H](C)C(C)(C)C)C2CC2)cc1 ZINC000114473283 400387147 /nfs/dbraw/zinc/38/71/47/400387147.db2.gz OGDZOYRBIRPWJD-ACJLOTCBSA-N 1 0 318.461 3.287 10 0 DGAERO [NH3+]CCSc1cc(-c2ccccn2)nc(-c2ccccn2)c1 ZINC000036462326 400390354 /nfs/dbraw/zinc/39/03/54/400390354.db2.gz XLFOQLXKQVMXOI-UHFFFAOYSA-N 1 0 308.410 3.256 10 0 DGAERO CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1CC[NH3+] ZINC000070552194 400353180 /nfs/dbraw/zinc/35/31/80/400353180.db2.gz SDWVNRKBZAMLGY-UHFFFAOYSA-N 1 0 308.834 3.175 10 0 DGAERO CSCCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000071541662 400369725 /nfs/dbraw/zinc/36/97/25/400369725.db2.gz OXENSFVPRQMOCT-MRXNPFEDSA-N 1 0 306.475 3.083 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000611404852 400393930 /nfs/dbraw/zinc/39/39/30/400393930.db2.gz UFHPRWYWCJLSPL-CVEARBPZSA-N 1 0 305.418 3.086 10 0 DGAERO CCc1ccc([C@@H](CNC(=O)Cc2ccccc2)[NH+](C)C)cc1 ZINC000032735554 400374909 /nfs/dbraw/zinc/37/49/09/400374909.db2.gz FBQJIGPTHYCILO-LJQANCHMSA-N 1 0 310.441 3.211 10 0 DGAERO CC[C@H](C)[C@@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000116757208 400413406 /nfs/dbraw/zinc/41/34/06/400413406.db2.gz ADDAKLWQAVUPOM-MAUKXSAKSA-N 1 0 302.462 3.369 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(N2CCCC2=O)cc1 ZINC000117074696 400414567 /nfs/dbraw/zinc/41/45/67/400414567.db2.gz OTGARGQJSIRZBR-MRXNPFEDSA-N 1 0 316.445 3.457 10 0 DGAERO Cc1cc(O)cc(C)c1[C@@H](N)[C@@H]([NH3+])c1c(C)cc(O)cc1C ZINC000038433291 400396266 /nfs/dbraw/zinc/39/62/66/400396266.db2.gz SVHKYZUWAQXTCN-HDICACEKSA-N 1 0 300.402 3.031 10 0 DGAERO [NH3+][C@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1c1ccccc1 ZINC000038440660 400396438 /nfs/dbraw/zinc/39/64/38/400396438.db2.gz XZDWNZHPIJTMSU-ROUUACIJSA-N 1 0 310.397 3.488 10 0 DGAERO CN1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000040672891 400401542 /nfs/dbraw/zinc/40/15/42/400401542.db2.gz KXEYTUMSTMDWHO-LBPRGKRZSA-N 1 0 304.768 3.125 10 0 DGAERO CC[C@H](C)[C@@H](C(=O)N1CCN(C2CC2)CC1)c1ccccc1 ZINC000116737585 400412388 /nfs/dbraw/zinc/41/23/88/400412388.db2.gz SOVJBXBRKALOPG-MAUKXSAKSA-N 1 0 300.446 3.123 10 0 DGAERO c1nc2c(c(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n1)CCC2 ZINC000590770656 400431616 /nfs/dbraw/zinc/43/16/16/400431616.db2.gz DKSWOGJNMOXXRN-INIZCTEOSA-N 1 0 314.477 3.058 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)NC/C=C/c2ccccc2)CC1 ZINC000119822636 400439777 /nfs/dbraw/zinc/43/97/77/400439777.db2.gz HMMHOGPGHNQPMX-RMKNXTFCSA-N 1 0 315.461 3.119 10 0 DGAERO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000120611065 400446975 /nfs/dbraw/zinc/44/69/75/400446975.db2.gz RVGRUKWSOYIFJT-ZDUSSCGKSA-N 1 0 318.367 3.240 10 0 DGAERO COc1cc(C[NH2+]Cc2cccnc2C)cc(Cl)c1OC ZINC000590881148 400453449 /nfs/dbraw/zinc/45/34/49/400453449.db2.gz PWAJDEMQGONGII-UHFFFAOYSA-N 1 0 306.793 3.350 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc(F)ccc3o2)[C@H](C)C1 ZINC000122374769 400460687 /nfs/dbraw/zinc/46/06/87/400460687.db2.gz MDKYFKLWIIQJAP-DOMZBBRYSA-N 1 0 318.392 3.374 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccccc2Cl)[C@H](C)C1 ZINC000122637756 400462633 /nfs/dbraw/zinc/46/26/33/400462633.db2.gz GINRTQRZDFEZPG-RHSMWYFYSA-N 1 0 322.880 3.461 10 0 DGAERO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000043588785 400472791 /nfs/dbraw/zinc/47/27/91/400472791.db2.gz QOMUESVQQKYDDL-YNEHKIRRSA-N 1 0 306.372 3.004 10 0 DGAERO C[C@H]([NH2+]CCN(C)c1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000125876965 400486340 /nfs/dbraw/zinc/48/63/40/400486340.db2.gz RBUQBEZCRXQNSS-INIZCTEOSA-N 1 0 321.428 3.054 10 0 DGAERO CCC1CCC(NC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000127027559 400498162 /nfs/dbraw/zinc/49/81/62/400498162.db2.gz XDMGMYHCPCRQDX-UHFFFAOYSA-N 1 0 309.498 3.329 10 0 DGAERO Brc1cc(C[C@H]2CCC[NH2+]2)oc1Br ZINC000134342341 400575486 /nfs/dbraw/zinc/57/54/86/400575486.db2.gz OYEDGOVGTGYSAR-ZCFIWIBFSA-N 1 0 309.001 3.099 10 0 DGAERO C[C@@]1(Cc2cc(Br)c(Br)o2)CCC[NH2+]1 ZINC000134346534 400576889 /nfs/dbraw/zinc/57/68/89/400576889.db2.gz UDVSBMUBQJHQQJ-JTQLQIEISA-N 1 0 323.028 3.489 10 0 DGAERO CCC(CC)[N@H+](C[C@@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000591470096 400530462 /nfs/dbraw/zinc/53/04/62/400530462.db2.gz AJAXULHGOLWXLW-IBGZPJMESA-N 1 0 304.478 3.132 10 0 DGAERO Cc1cc(NCC2(O)CCC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000074749113 400532506 /nfs/dbraw/zinc/53/25/06/400532506.db2.gz WXMSJQAVCGXPTA-UHFFFAOYSA-N 1 0 308.328 3.472 10 0 DGAERO C[C@H]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000358018640 285946384 /nfs/dbraw/zinc/94/63/84/285946384.db2.gz QIPWZVLUXRFPBC-HOTGVXAUSA-N 1 0 300.446 3.448 10 0 DGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135161780 400584829 /nfs/dbraw/zinc/58/48/29/400584829.db2.gz IACUYHDPOBKCQX-NEPJUHHUSA-N 1 0 318.642 3.496 10 0 DGAERO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000139487934 400607774 /nfs/dbraw/zinc/60/77/74/400607774.db2.gz BGTWCDXUJGLFMM-GJZGRUSLSA-N 1 0 309.841 3.185 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618664433 400659226 /nfs/dbraw/zinc/65/92/26/400659226.db2.gz SRNANAXCGYFIMA-NVXWUHKLSA-N 1 0 322.493 3.295 10 0 DGAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1cc(Br)c(Br)o1 ZINC000050358765 400684778 /nfs/dbraw/zinc/68/47/78/400684778.db2.gz WDQUTQGJDZBGCS-ZLUOBGJFSA-N 1 0 309.001 3.255 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000618986446 400738956 /nfs/dbraw/zinc/73/89/56/400738956.db2.gz DAMUUISRHCTJMQ-HZPDHXFCSA-N 1 0 310.482 3.009 10 0 DGAERO OC1(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCOCC1 ZINC000162582138 400744909 /nfs/dbraw/zinc/74/49/09/400744909.db2.gz BKLUUCCCHBVQIB-CYBMUJFWSA-N 1 0 313.850 3.008 10 0 DGAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)C(C)(C)C)c1 ZINC000163281478 400747975 /nfs/dbraw/zinc/74/79/75/400747975.db2.gz YOKIBXJOLHZIRD-QWHCGFSZSA-N 1 0 322.449 3.445 10 0 DGAERO C[C@@H]1C[C@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604176041 400752466 /nfs/dbraw/zinc/75/24/66/400752466.db2.gz TUEIVWJQHLVPRA-BPQIPLTHSA-N 1 0 315.461 3.169 10 0 DGAERO CSCC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000154761003 400697730 /nfs/dbraw/zinc/69/77/30/400697730.db2.gz MADJAPVTMLHLOX-SECBINFHSA-N 1 0 306.244 3.472 10 0 DGAERO C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CC1CC1 ZINC000051423349 400702559 /nfs/dbraw/zinc/70/25/59/400702559.db2.gz XKXAEGDLNDHAPF-NSHDSACASA-N 1 0 304.217 3.075 10 0 DGAERO CNC(=O)c1cccc(C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)c1 ZINC000156848162 400713770 /nfs/dbraw/zinc/71/37/70/400713770.db2.gz IXIPDLKLJLUWGZ-MRXNPFEDSA-N 1 0 310.441 3.418 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000157320404 400715945 /nfs/dbraw/zinc/71/59/45/400715945.db2.gz XVIUEMGKGISHIH-MSOLQXFVSA-N 1 0 319.445 3.284 10 0 DGAERO [NH3+][C@H](c1ncc(Br)cc1Br)C1CC1 ZINC000157299084 400716492 /nfs/dbraw/zinc/71/64/92/400716492.db2.gz ZWXIOCGHMNKJNP-QMMMGPOBSA-N 1 0 306.001 3.016 10 0 DGAERO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc3ccccc3c2)CCS1 ZINC000171695939 400803971 /nfs/dbraw/zinc/80/39/71/400803971.db2.gz LKDSEHKRPSHCEY-PBHICJAKSA-N 1 0 317.454 3.017 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000054307249 400817576 /nfs/dbraw/zinc/81/75/76/400817576.db2.gz WZLDYASKOXJGTP-SMDDNHRTSA-N 1 0 324.877 3.383 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccccc1Cl ZINC000054308075 400817590 /nfs/dbraw/zinc/81/75/90/400817590.db2.gz CWWFDVHZWPZJJM-BBRMVZONSA-N 1 0 306.837 3.393 10 0 DGAERO CCCOc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000054307622 400817886 /nfs/dbraw/zinc/81/78/86/400817886.db2.gz VZZWLNRFADBOGG-GFCCVEGCSA-N 1 0 310.825 3.457 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000170858822 400777444 /nfs/dbraw/zinc/77/74/44/400777444.db2.gz DMFJOEDVEVQDQB-AWEZNQCLSA-N 1 0 306.475 3.183 10 0 DGAERO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170865428 400777637 /nfs/dbraw/zinc/77/76/37/400777637.db2.gz KYWVBGTWRJZQJB-RDJZCZTQSA-N 1 0 318.461 3.048 10 0 DGAERO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170865430 400778108 /nfs/dbraw/zinc/77/81/08/400778108.db2.gz KYWVBGTWRJZQJB-WBVHZDCISA-N 1 0 318.461 3.048 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000171069411 400783779 /nfs/dbraw/zinc/78/37/79/400783779.db2.gz AQEANRSRNXRDSW-SECBINFHSA-N 1 0 302.205 3.161 10 0 DGAERO CCCC[N@@H+](Cc1ccccc1Cl)C[C@H](O)Cn1cccn1 ZINC000171303485 400795149 /nfs/dbraw/zinc/79/51/49/400795149.db2.gz WXYZRVCBWRDQMG-INIZCTEOSA-N 1 0 321.852 3.200 10 0 DGAERO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172392575 400823897 /nfs/dbraw/zinc/82/38/97/400823897.db2.gz LMJFQZUAFJSRHT-RTBURBONSA-N 1 0 314.473 3.198 10 0 DGAERO C[C@@H]1CC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@@H](C)C1 ZINC000172514991 400831910 /nfs/dbraw/zinc/83/19/10/400831910.db2.gz NCUWQWLWLLNNIO-HOTGVXAUSA-N 1 0 321.509 3.329 10 0 DGAERO COC(=O)CC[C@H]([NH2+][C@@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000619426136 400845171 /nfs/dbraw/zinc/84/51/71/400845171.db2.gz QAFAREXLWIKSQX-IKGGRYGDSA-N 1 0 305.418 3.228 10 0 DGAERO c1ccc(-c2noc(N3CCCC[C@H]([NH+]4CCCC4)C3)n2)cc1 ZINC000594005934 400943832 /nfs/dbraw/zinc/94/38/32/400943832.db2.gz UXJOWMGZNXOODB-INIZCTEOSA-N 1 0 312.417 3.191 10 0 DGAERO CC(C)[C@H]1CN(c2cnc3cc(C(F)(F)F)ccc3n2)CC[NH2+]1 ZINC000217813165 400951030 /nfs/dbraw/zinc/95/10/30/400951030.db2.gz IRPRMTVDLKKCDP-CQSZACIVSA-N 1 0 324.350 3.083 10 0 DGAERO C[C@H](NC(=O)CC/C=C/c1ccccc1)C1CC[NH+](C)CC1 ZINC000606371587 400903290 /nfs/dbraw/zinc/90/32/90/400903290.db2.gz HEVPVQCHPTVZCD-DHINHOHASA-N 1 0 300.446 3.327 10 0 DGAERO C[C@H](CNC(=O)N(C)Cc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000080049745 400918312 /nfs/dbraw/zinc/91/83/12/400918312.db2.gz KQCCLROBHAMNPU-CQSZACIVSA-N 1 0 323.868 3.213 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000606712870 400953714 /nfs/dbraw/zinc/95/37/14/400953714.db2.gz YVFVJGKXGUISGA-FUHWJXTLSA-N 1 0 317.477 3.271 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000246040137 401018787 /nfs/dbraw/zinc/01/87/87/401018787.db2.gz XLIHHTIRJWRUIN-NCCNMHLXSA-N 1 0 304.478 3.146 10 0 DGAERO CC(C)[C@H](C)CNC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000606986283 400995841 /nfs/dbraw/zinc/99/58/41/400995841.db2.gz RXCAHIHKACYOSO-SJORKVTESA-N 1 0 317.477 3.194 10 0 DGAERO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000057552094 401012170 /nfs/dbraw/zinc/01/21/70/401012170.db2.gz ULPNXMOPNBYXRP-RQJABVFESA-N 1 0 320.399 3.439 10 0 DGAERO [O-][N+]1=C(c2ccccc2)C(c2ccccc2)=[N+](O)[C@@H]2CCCC[C@@H]21 ZINC000225397993 400956394 /nfs/dbraw/zinc/95/63/94/400956394.db2.gz FCDVGFKUJXQJGY-HDICACEKSA-N 1 0 322.408 3.093 10 0 DGAERO CC(C)[N@H+](C)CCCNc1ncc(Br)cc1F ZINC000226326416 400960684 /nfs/dbraw/zinc/96/06/84/400960684.db2.gz HFVQTARFQGNEPE-UHFFFAOYSA-N 1 0 304.207 3.125 10 0 DGAERO [NH3+]C[C@@H]1c2ccccc2CCN1c1ncc(Cl)cc1Cl ZINC000227724743 400963687 /nfs/dbraw/zinc/96/36/87/400963687.db2.gz ZGHPTRGTOLAOKO-CQSZACIVSA-N 1 0 308.212 3.451 10 0 DGAERO c1cncc([C@H]([NH2+]CCOC[C@@H]2CCCO2)C2CCCCC2)c1 ZINC000607357963 401051023 /nfs/dbraw/zinc/05/10/23/401051023.db2.gz MLGBSHODRQIZTI-RBUKOAKNSA-N 1 0 318.461 3.488 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000247393945 401053111 /nfs/dbraw/zinc/05/31/11/401053111.db2.gz MDKYFKLWIIQJAP-SWLSCSKDSA-N 1 0 318.392 3.374 10 0 DGAERO CC(C)[C@H]1CN(Cc2ccncc2Br)CCS1 ZINC000625198168 401057616 /nfs/dbraw/zinc/05/76/16/401057616.db2.gz PMBLMRMZIIAUIS-CYBMUJFWSA-N 1 0 315.280 3.418 10 0 DGAERO CC(C)CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000248049270 401065411 /nfs/dbraw/zinc/06/54/11/401065411.db2.gz NPTQEGKDAXAQBW-ROUUACIJSA-N 1 0 315.461 3.262 10 0 DGAERO c1ccc2c(c1)CC[C@@H]2[N@H+](CCOC1CCOCC1)C1CC1 ZINC000625232632 401067446 /nfs/dbraw/zinc/06/74/46/401067446.db2.gz MCBIXQOWYGPOIT-IBGZPJMESA-N 1 0 301.430 3.334 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cncc(C)c1)c1ccccc1 ZINC000615442421 401078851 /nfs/dbraw/zinc/07/88/51/401078851.db2.gz IVZGSJHIGRWOOD-QGZVFWFLSA-N 1 0 312.413 3.420 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000246194349 401022052 /nfs/dbraw/zinc/02/20/52/401022052.db2.gz JSKGNNSFNQHZHY-IIDMSEBBSA-N 1 0 315.461 3.269 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000246923483 401040290 /nfs/dbraw/zinc/04/02/90/401040290.db2.gz IPLNJFYRFRWCTD-MNEFBYGVSA-N 1 0 314.473 3.372 10 0 DGAERO Brc1cnccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000625158625 401047061 /nfs/dbraw/zinc/04/70/61/401047061.db2.gz GEUGZTKIWFNPLT-GFCCVEGCSA-N 1 0 307.191 3.427 10 0 DGAERO CCO[C@H](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CCCC1 ZINC000262458155 401117640 /nfs/dbraw/zinc/11/76/40/401117640.db2.gz JARSECBOYZYHRF-XWTMOSNGSA-N 1 0 322.493 3.009 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262495335 401117880 /nfs/dbraw/zinc/11/78/80/401117880.db2.gz ZBPUSIRYZCMTJG-IAVJCBSLSA-N 1 0 300.446 3.216 10 0 DGAERO Cc1c([C@H](C)[NH2+]CCc2ccccc2O)nnn1-c1ccccc1 ZINC000358225537 286003284 /nfs/dbraw/zinc/00/32/84/286003284.db2.gz SLYITVGXJUORCE-AWEZNQCLSA-N 1 0 322.412 3.175 10 0 DGAERO c1ccc(CC2([NH2+]CCOC3CCOCC3)CCCC2)cc1 ZINC000625324860 401099897 /nfs/dbraw/zinc/09/98/97/401099897.db2.gz ZNLDOKWXIJECKW-UHFFFAOYSA-N 1 0 303.446 3.327 10 0 DGAERO C[NH+](C)CCCCNC(=O)c1ccccc1OC1CCCCC1 ZINC000607650052 401100549 /nfs/dbraw/zinc/10/05/49/401100549.db2.gz DQZODYITFAMNCW-UHFFFAOYSA-N 1 0 318.461 3.470 10 0 DGAERO c1nc(C2CC2)ncc1CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000358245221 286009530 /nfs/dbraw/zinc/00/95/30/286009530.db2.gz BOLLKWQYCLIDFV-UHFFFAOYSA-N 1 0 315.461 3.226 10 0 DGAERO COc1cc(C[NH2+]CC[C@@H]2CCCO2)c(SC)cc1OC ZINC000086506471 401179581 /nfs/dbraw/zinc/17/95/81/401179581.db2.gz FXDVRNAVUVBQAP-ZDUSSCGKSA-N 1 0 311.447 3.084 10 0 DGAERO c1cnnc(Oc2ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000621388636 401195234 /nfs/dbraw/zinc/19/52/34/401195234.db2.gz DFXVVWAFZUJVNL-JKSUJKDBSA-N 1 0 310.401 3.308 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC000621387800 401195282 /nfs/dbraw/zinc/19/52/82/401195282.db2.gz OXUOFFSWUFZTHD-GBESFXJTSA-N 1 0 300.446 3.313 10 0 DGAERO C[C@@H](c1ccccc1F)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000616011450 401195707 /nfs/dbraw/zinc/19/57/07/401195707.db2.gz GVMGVCUAKVPXRW-ZDUSSCGKSA-N 1 0 314.408 3.304 10 0 DGAERO c1cc(-c2noc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)n2)cs1 ZINC000625771930 401210467 /nfs/dbraw/zinc/21/04/67/401210467.db2.gz SQIZDPNYGIBDEX-NEPJUHHUSA-N 1 0 307.444 3.268 10 0 DGAERO c1nnc(C2CC[NH+](Cc3cccnc3)CC2)n1-c1ccccc1 ZINC000065287590 401263426 /nfs/dbraw/zinc/26/34/26/401263426.db2.gz QZHPVKHTLFCROI-UHFFFAOYSA-N 1 0 319.412 3.042 10 0 DGAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(C2CCCCC2)no1 ZINC000634553707 401307401 /nfs/dbraw/zinc/30/74/01/401307401.db2.gz FHXGGALFIPJYCY-INIZCTEOSA-N 1 0 314.433 3.249 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000621742173 401292537 /nfs/dbraw/zinc/29/25/37/401292537.db2.gz FLFXSDUPALWQQF-HYVNUMGLSA-N 1 0 306.837 3.187 10 0 DGAERO c1coc(CNc2cccc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)c2)c1 ZINC000630597409 401294721 /nfs/dbraw/zinc/29/47/21/401294721.db2.gz ZWXLPAJXESJSHU-MRXNPFEDSA-N 1 0 323.400 3.075 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CCc2ncccc2C)c2ccccc21 ZINC000621762930 401296714 /nfs/dbraw/zinc/29/67/14/401296714.db2.gz MYDJKYQDGLGWGN-GOSISDBHSA-N 1 0 309.413 3.020 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CCc2cnccc2C)c2ccccc21 ZINC000621764903 401297714 /nfs/dbraw/zinc/29/77/14/401297714.db2.gz ODZQDKJBVAGKHN-SFHVURJKSA-N 1 0 309.413 3.020 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2)[C@H](C)O)c2ccccc21 ZINC000621764664 401297867 /nfs/dbraw/zinc/29/78/67/401297867.db2.gz KPKAFXPDUPOVQL-ADLFWFRXSA-N 1 0 324.424 3.196 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC3(CC3)CC2)cc1 ZINC000626114371 401303699 /nfs/dbraw/zinc/30/36/99/401303699.db2.gz DETVXNYBZWNDDW-UHFFFAOYSA-N 1 0 314.429 3.484 10 0 DGAERO c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)n(CC2CCC2)n1 ZINC000631168792 401414050 /nfs/dbraw/zinc/41/40/50/401414050.db2.gz KFVYOEMGMPQLSD-ROUUACIJSA-N 1 0 303.450 3.121 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000634952053 401387647 /nfs/dbraw/zinc/38/76/47/401387647.db2.gz NVTXXRQMVFBZJT-HUUCEWRRSA-N 1 0 315.866 3.348 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccc(F)cc1Cl ZINC000634963561 401390396 /nfs/dbraw/zinc/39/03/96/401390396.db2.gz WTOBZTUMZYGMPN-ZYHUDNBSSA-N 1 0 319.829 3.097 10 0 DGAERO c1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)n(CC2CCC2)n1 ZINC000631091583 401391300 /nfs/dbraw/zinc/39/13/00/401391300.db2.gz OAELTAQJYQIRRT-INIZCTEOSA-N 1 0 303.450 3.265 10 0 DGAERO c1ccc(O[C@H]2C[C@H]([NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634985714 401395787 /nfs/dbraw/zinc/39/57/87/401395787.db2.gz AZVKEOUCKNCIHL-JCNLHEQBSA-N 1 0 305.381 3.329 10 0 DGAERO c1ccc2sc([C@@H]3CCCN(CC45CC(C4)C[NH2+]5)C3)nc2c1 ZINC000634993820 401397577 /nfs/dbraw/zinc/39/75/77/401397577.db2.gz HIBQUUPTFBRAFQ-TXKKKEFDSA-N 1 0 313.470 3.228 10 0 DGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCCC12CC2 ZINC000631194035 401422026 /nfs/dbraw/zinc/42/20/26/401422026.db2.gz UMARVZXYFMZWNN-AWEZNQCLSA-N 1 0 313.850 3.166 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1ccccn1 ZINC000631221941 401430039 /nfs/dbraw/zinc/43/00/39/401430039.db2.gz MQKJXHONUBUQAS-PMPSAXMXSA-N 1 0 315.214 3.272 10 0 DGAERO Cc1nn(C)c(C[NH2+][C@H](C)CC2CCC2)c1Br ZINC000631252493 401438474 /nfs/dbraw/zinc/43/84/74/401438474.db2.gz YQVQHBJVROLPKR-SECBINFHSA-N 1 0 300.244 3.159 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)o2)n[nH]1 ZINC000631256614 401439210 /nfs/dbraw/zinc/43/92/10/401439210.db2.gz VWRAUSSVZUECHU-IAGOWNOFSA-N 1 0 301.390 3.107 10 0 DGAERO c1coc(-c2ncc(C[NH2+][C@@H]3CCCn4nccc43)s2)c1 ZINC000631302240 401448448 /nfs/dbraw/zinc/44/84/48/401448448.db2.gz XJIDSHUYDKZFTN-GFCCVEGCSA-N 1 0 300.387 3.224 10 0 DGAERO c1cnc2c(c1)[C@H]([NH2+][C@@H]1CCOC3(CCSCC3)C1)CCC2 ZINC000631602095 401511249 /nfs/dbraw/zinc/51/12/49/401511249.db2.gz XGVXZRMZFNLVPX-RHSMWYFYSA-N 1 0 318.486 3.493 10 0 DGAERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(Br)cc1 ZINC000631697305 401539083 /nfs/dbraw/zinc/53/90/83/401539083.db2.gz XFYIIHUDHZOAQW-GZMMTYOYSA-N 1 0 308.166 3.116 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1Br ZINC000623754799 401576375 /nfs/dbraw/zinc/57/63/75/401576375.db2.gz SOCZIEYZOHZPGJ-HIFRSBDPSA-N 1 0 310.235 3.415 10 0 DGAERO c1cc(Sc2ccccn2)oc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000623755024 401576714 /nfs/dbraw/zinc/57/67/14/401576714.db2.gz XNUXLXNSTKNPIY-UKRRQHHQSA-N 1 0 316.426 3.483 10 0 DGAERO c1ccc(N2CCOCC2)c(C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000623824827 401584101 /nfs/dbraw/zinc/58/41/01/401584101.db2.gz QARKDHORGCAKIK-QGZVFWFLSA-N 1 0 300.446 3.193 10 0 DGAERO c1nc([C@H]2CCCO2)sc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000628422781 401595353 /nfs/dbraw/zinc/59/53/53/401595353.db2.gz KKIZIVANHMCFRS-MBNYWOFBSA-N 1 0 310.488 3.465 10 0 DGAERO Cc1nc(C)c(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000628227039 401553856 /nfs/dbraw/zinc/55/38/56/401553856.db2.gz OKJKBFPWKZVEOH-CQSZACIVSA-N 1 0 301.434 3.292 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]3CCOC3)C1)C2 ZINC000623602439 401554005 /nfs/dbraw/zinc/55/40/05/401554005.db2.gz PTVZZZIDKAPJIV-OBZTUIKSSA-N 1 0 315.457 3.313 10 0 DGAERO c1cnn(-c2cccc(C[NH2+]C[C@@H]3Cc4ccccc4CO3)c2)c1 ZINC000623602443 401554079 /nfs/dbraw/zinc/55/40/79/401554079.db2.gz PXLSTVFQUOURLI-FQEVSTJZSA-N 1 0 319.408 3.103 10 0 DGAERO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632857306 401632455 /nfs/dbraw/zinc/63/24/55/401632455.db2.gz SSUGPXLMVUFBDB-BXUZGUMPSA-N 1 0 313.228 3.208 10 0 DGAERO Brc1ccccc1CC1C[NH+](CC[C@H]2CCOC2)C1 ZINC000628477924 401603713 /nfs/dbraw/zinc/60/37/13/401603713.db2.gz MBTCCRUMNXMLTD-ZDUSSCGKSA-N 1 0 324.262 3.350 10 0 DGAERO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCCN2CCOCC2)o1 ZINC000358496783 286077818 /nfs/dbraw/zinc/07/78/18/286077818.db2.gz WMPFVVBVNIBGKW-FUHWJXTLSA-N 1 0 320.477 3.337 10 0 DGAERO CO[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCCCO1)COCc1ccccc1 ZINC000624012408 401612637 /nfs/dbraw/zinc/61/26/37/401612637.db2.gz ZNXOKNAMMNHFRJ-YTQUADARSA-N 1 0 321.461 3.156 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2COC(C)(C)C)C1 ZINC000358570931 286096084 /nfs/dbraw/zinc/09/60/84/286096084.db2.gz NTVFCVSWUCGAJC-OAHLLOKOSA-N 1 0 318.461 3.073 10 0 DGAERO C[C@@H](CSc1nnc(-c2cccs2)n1C1CC1)[NH+](C)C ZINC000358851743 286169607 /nfs/dbraw/zinc/16/96/07/286169607.db2.gz IEHNJCZHSXSQGC-JTQLQIEISA-N 1 0 308.476 3.384 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000191261482 299729062 /nfs/dbraw/zinc/72/90/62/299729062.db2.gz PDUZMZKVRWCVGU-RYUDHWBXSA-N 1 0 317.351 3.361 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCc1ccccn1 ZINC000358919056 286187203 /nfs/dbraw/zinc/18/72/03/286187203.db2.gz XOSHLPFJWWKGIQ-LJQANCHMSA-N 1 0 318.424 3.477 10 0 DGAERO COc1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1O ZINC000093665915 286303309 /nfs/dbraw/zinc/30/33/09/286303309.db2.gz FWBCUJCEZPLPRV-MRXNPFEDSA-N 1 0 305.418 3.324 10 0 DGAERO c1ccc2c(c1)CC[C@@H](C[NH+]1CCN(Cc3cccnc3)CC1)C2 ZINC000359588226 286342339 /nfs/dbraw/zinc/34/23/39/286342339.db2.gz GMCSOPHTKLHDOR-GOSISDBHSA-N 1 0 321.468 3.004 10 0 DGAERO c1ccc2c(c1)CO[C@]21CCCN(c2ccnc(C3CC3)n2)C1 ZINC000359851499 286386121 /nfs/dbraw/zinc/38/61/21/286386121.db2.gz XPLGXUZUSNHCQB-IBGZPJMESA-N 1 0 307.397 3.380 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186522353 304387209 /nfs/dbraw/zinc/38/72/09/304387209.db2.gz JRGYFNBTPRKJRU-APHBMKBZSA-N 1 0 318.848 3.187 10 0 DGAERO C(=C/c1ccccc1)\C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000360157603 286433318 /nfs/dbraw/zinc/43/33/18/286433318.db2.gz IVGVIZOHJYLOCG-XBXARRHUSA-N 1 0 308.429 3.117 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000360984947 286569479 /nfs/dbraw/zinc/56/94/79/286569479.db2.gz SRQUZRVEDGLSJE-UHFFFAOYSA-N 1 0 315.417 3.018 10 0 DGAERO C[NH+](C)CCCCNC(=O)c1cc(Cl)ccc1OC(F)F ZINC000361039091 286583065 /nfs/dbraw/zinc/58/30/65/286583065.db2.gz VNPNUNOVFXPRLE-UHFFFAOYSA-N 1 0 320.767 3.013 10 0 DGAERO CCC[C@@H]1C[C@@H]1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000361447443 286674191 /nfs/dbraw/zinc/67/41/91/286674191.db2.gz KYIAYRRKMLBEAX-PBHICJAKSA-N 1 0 304.434 3.139 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000179494311 292383673 /nfs/dbraw/zinc/38/36/73/292383673.db2.gz NFGLYXHOSZNCFM-RRQGHBQHSA-N 1 0 310.869 3.490 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000361973077 286753387 /nfs/dbraw/zinc/75/33/87/286753387.db2.gz VJBCINGIFFNIOD-ZANVPECISA-N 1 0 301.217 3.265 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc2c(c1)COC2 ZINC000362127691 286771651 /nfs/dbraw/zinc/77/16/51/286771651.db2.gz BOJURLPJVGJYPK-IFXJQAMLSA-N 1 0 322.408 3.173 10 0 DGAERO COc1ccccc1C1CC([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000364367459 287018843 /nfs/dbraw/zinc/01/88/43/287018843.db2.gz XLAGEAHDOLOZSW-UHFFFAOYSA-N 1 0 317.429 3.217 10 0 DGAERO c1csc(-c2nc(CN3CC[NH+]4CCC3CC4)cs2)c1 ZINC000364488470 287032850 /nfs/dbraw/zinc/03/28/50/287032850.db2.gz BZJYJWUGIFIEBW-UHFFFAOYSA-N 1 0 305.472 3.152 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000364458800 287029519 /nfs/dbraw/zinc/02/95/19/287029519.db2.gz PEAXHQYIIVLNIE-PXNSSMCTSA-N 1 0 316.489 3.446 10 0 DGAERO CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000364644270 287048234 /nfs/dbraw/zinc/04/82/34/287048234.db2.gz ZRQOAMMIGGZHKP-CYBMUJFWSA-N 1 0 315.244 3.136 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)s1 ZINC000166640855 164602047 /nfs/dbraw/zinc/60/20/47/164602047.db2.gz WLDIDDOLDOZIBG-UONOGXRCSA-N 1 0 318.490 3.364 10 0 DGAERO CCCc1ncc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000172994684 164682303 /nfs/dbraw/zinc/68/23/03/164682303.db2.gz CCGBOQICBNDNBY-CQSZACIVSA-N 1 0 321.490 3.186 10 0 DGAERO CCc1onc(C)c1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000175547549 164760320 /nfs/dbraw/zinc/76/03/20/164760320.db2.gz UEAZGNVTSOGNKA-UHFFFAOYSA-N 1 0 319.449 3.072 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)C/C=C/c1cccc(F)c1 ZINC000175968780 164771602 /nfs/dbraw/zinc/77/16/02/164771602.db2.gz AOEVNRUGEZVDCF-PMGBHYCQSA-N 1 0 304.409 3.220 10 0 DGAERO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3c(C)ccc(C)c31)CC2 ZINC000179425499 164859545 /nfs/dbraw/zinc/85/95/45/164859545.db2.gz GIFBCEDIMHAXHT-WBVHZDCISA-N 1 0 310.445 3.185 10 0 DGAERO Cc1cn2c(CN3CCC[C@H]3C[NH+]3CCCC3)c(C)nc2s1 ZINC000179646802 164863325 /nfs/dbraw/zinc/86/33/25/164863325.db2.gz RRGOLHVYSMTWGG-HNNXBMFYSA-N 1 0 318.490 3.073 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)CC2 ZINC000180635611 164891059 /nfs/dbraw/zinc/89/10/59/164891059.db2.gz GOYAKDQLIVCJRN-QZTJIDSGSA-N 1 0 324.472 3.327 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]Cc2cccs2)c2ccc(F)cc2C1 ZINC000185356486 165001947 /nfs/dbraw/zinc/00/19/47/165001947.db2.gz VVKTVERALKRDSZ-KRWDZBQOSA-N 1 0 318.417 3.470 10 0 DGAERO Oc1cc(F)cc(C[NH2+]C2CCN(c3cccs3)CC2)c1 ZINC000185572544 165008905 /nfs/dbraw/zinc/00/89/05/165008905.db2.gz YILSZWGUVSVYNC-UHFFFAOYSA-N 1 0 306.406 3.351 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000185878900 165019862 /nfs/dbraw/zinc/01/98/62/165019862.db2.gz RFKJRJYMKQBBQM-HOCLYGCPSA-N 1 0 312.413 3.298 10 0 DGAERO CCC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1cccnc1 ZINC000185996446 165024520 /nfs/dbraw/zinc/02/45/20/165024520.db2.gz OPSCSORJYBVHFH-HOTGVXAUSA-N 1 0 313.449 3.242 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000186207499 165034104 /nfs/dbraw/zinc/03/41/04/165034104.db2.gz OHFOUNQKFRWWHV-NWDGAFQWSA-N 1 0 320.462 3.137 10 0 DGAERO Cc1ccc(CCCC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)s1 ZINC000186504582 165046872 /nfs/dbraw/zinc/04/68/72/165046872.db2.gz TYVBQZQDFNUYOK-CQSZACIVSA-N 1 0 306.475 3.122 10 0 DGAERO C[C@@H]1c2cccn2CCN1CCC(=O)c1ccc(F)cc1F ZINC000186506479 165047460 /nfs/dbraw/zinc/04/74/60/165047460.db2.gz NYSSPXHUCUSXBO-GFCCVEGCSA-N 1 0 304.340 3.416 10 0 DGAERO C[C@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1ccc(Cl)s1 ZINC000186537126 165048584 /nfs/dbraw/zinc/04/85/84/165048584.db2.gz GTLKCNRXHYNOPO-WDEREUQCSA-N 1 0 312.866 3.248 10 0 DGAERO CSCc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000186559851 165050206 /nfs/dbraw/zinc/05/02/06/165050206.db2.gz RXTDZSURXMIAHX-AWEZNQCLSA-N 1 0 322.449 3.045 10 0 DGAERO CC(C)(CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1ccccc1 ZINC000186557682 165050382 /nfs/dbraw/zinc/05/03/82/165050382.db2.gz GPFRCMSTQMBWKK-MRXNPFEDSA-N 1 0 300.446 3.097 10 0 DGAERO O=C(CCN1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000186926142 165066808 /nfs/dbraw/zinc/06/68/08/165066808.db2.gz RCLQVROAMGAZNE-OAHLLOKOSA-N 1 0 322.399 3.098 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(C)n1 ZINC000187063223 165075552 /nfs/dbraw/zinc/07/55/52/165075552.db2.gz GUUQYPLEQDEACD-KRWDZBQOSA-N 1 0 321.428 3.121 10 0 DGAERO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccc(C)nc1C)c1ccccc1 ZINC000187282009 165082479 /nfs/dbraw/zinc/08/24/79/165082479.db2.gz ANKFPFVHACUFRA-KSSFIOAISA-N 1 0 312.413 3.338 10 0 DGAERO C[C@@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cnccn1 ZINC000187570859 165095354 /nfs/dbraw/zinc/09/53/54/165095354.db2.gz OASAJEXPHZNVMZ-APWZRJJASA-N 1 0 310.445 3.182 10 0 DGAERO C[C@H](Cc1ccccc1F)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000187754332 165103222 /nfs/dbraw/zinc/10/32/22/165103222.db2.gz HNGKPHBAUWNVFG-CQSZACIVSA-N 1 0 310.376 3.127 10 0 DGAERO Cc1cccc2c1OCC[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000188101943 165113695 /nfs/dbraw/zinc/11/36/95/165113695.db2.gz JIUZTGYPBQPNIT-KRWDZBQOSA-N 1 0 316.445 3.055 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1cccc(F)c1)CC2 ZINC000188183587 165115267 /nfs/dbraw/zinc/11/52/67/165115267.db2.gz OWUSZDNGFYROOO-LSDHHAIUSA-N 1 0 302.397 3.035 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000188148128 165115287 /nfs/dbraw/zinc/11/52/87/165115287.db2.gz XMCYBASOASVARE-UKRRQHHQSA-N 1 0 307.401 3.383 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C2CC2)cc1 ZINC000188408714 165123687 /nfs/dbraw/zinc/12/36/87/165123687.db2.gz BZVBXANAMLIOJY-AWEZNQCLSA-N 1 0 303.450 3.094 10 0 DGAERO O=C(c1cc(F)c(Cl)cc1Cl)N1CC[NH+]2CCC1CC2 ZINC000188603525 165128656 /nfs/dbraw/zinc/12/86/56/165128656.db2.gz GLSFCWUGFWNRDG-UHFFFAOYSA-N 1 0 317.191 3.053 10 0 DGAERO Cc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c2ccccc2n1 ZINC000188655263 165131987 /nfs/dbraw/zinc/13/19/87/165131987.db2.gz ZTBQUSAMXAMQTO-UHFFFAOYSA-N 1 0 317.392 3.076 10 0 DGAERO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cccc2c1OCCO2 ZINC000188873410 165141717 /nfs/dbraw/zinc/14/17/17/165141717.db2.gz JVDKUUFRZMHZQF-MRXNPFEDSA-N 1 0 311.381 3.380 10 0 DGAERO O=C(Nc1ccsc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000189405158 165160539 /nfs/dbraw/zinc/16/05/39/165160539.db2.gz PWPODVZBOWRWPH-UHFFFAOYSA-N 1 0 313.854 3.494 10 0 DGAERO Cc1csc2c1ncnc2NC[C@H](c1ccco1)[NH+](C)C ZINC000189966833 165184451 /nfs/dbraw/zinc/18/44/51/165184451.db2.gz FHXGEDVEBLZXPP-LLVKDONJSA-N 1 0 302.403 3.308 10 0 DGAERO Cc1nc([C@H]2CCCN2C(=O)C2CC[NH+](C(C)C)CC2)cs1 ZINC000190013704 165186301 /nfs/dbraw/zinc/18/63/01/165186301.db2.gz CRRIOGJKKFOORC-MRXNPFEDSA-N 1 0 321.490 3.235 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000190024448 165186615 /nfs/dbraw/zinc/18/66/15/165186615.db2.gz JRVQWLWMLZNNFZ-UHFFFAOYSA-N 1 0 321.465 3.033 10 0 DGAERO CCCn1c(C)nnc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190207192 165193577 /nfs/dbraw/zinc/19/35/77/165193577.db2.gz KYOUUPDBSNLHQF-GFCCVEGCSA-N 1 0 318.387 3.407 10 0 DGAERO C[C@H](CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1cccc(F)c1 ZINC000190745628 165214925 /nfs/dbraw/zinc/21/49/25/165214925.db2.gz YSTGAPFOEARTFK-CZUORRHYSA-N 1 0 304.409 3.062 10 0 DGAERO CCn1cc([C@H]2CN([C@@H](C)c3ccc(F)c(F)c3)CCO2)cn1 ZINC000190780211 165215810 /nfs/dbraw/zinc/21/58/10/165215810.db2.gz MYZFOOOZFHOGCW-YVEFUNNKSA-N 1 0 321.371 3.316 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000191173138 165233800 /nfs/dbraw/zinc/23/38/00/165233800.db2.gz LKNPTEJOYILVRI-SFHVURJKSA-N 1 0 307.482 3.203 10 0 DGAERO C[N@@H+](Cc1ccc(Br)o1)C[C@@H](O)CC1CCCC1 ZINC000191300101 165242648 /nfs/dbraw/zinc/24/26/48/165242648.db2.gz KWRCGFDRPUHUCX-LBPRGKRZSA-N 1 0 316.239 3.415 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCO[C@@H]1C)c1ccccc1 ZINC000191685006 165264304 /nfs/dbraw/zinc/26/43/04/165264304.db2.gz HLPVIAVEAGRRRU-KBAYOESNSA-N 1 0 318.461 3.001 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3ccccc3Cl)CC2)[nH]1 ZINC000191684644 165265533 /nfs/dbraw/zinc/26/55/33/165265533.db2.gz JMOHNVSTCSCUFN-UHFFFAOYSA-N 1 0 304.825 3.400 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000191978688 165277146 /nfs/dbraw/zinc/27/71/46/165277146.db2.gz IWCBEVSRESFMBP-UHFFFAOYSA-N 1 0 321.428 3.283 10 0 DGAERO COc1cccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1F ZINC000192704211 165302788 /nfs/dbraw/zinc/30/27/88/165302788.db2.gz FICIUWYPDQNMHO-DOMZBBRYSA-N 1 0 301.361 3.489 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)C2CCC2)c2ccc(F)cc2C1 ZINC000192735972 165304448 /nfs/dbraw/zinc/30/44/48/165304448.db2.gz MFUHRGNOZFRHJE-SGTLLEGYSA-N 1 0 304.409 3.397 10 0 DGAERO Cc1ccc(F)cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192772159 165306232 /nfs/dbraw/zinc/30/62/32/165306232.db2.gz XOVNJGPDPYWOIU-UHFFFAOYSA-N 1 0 304.409 3.082 10 0 DGAERO O[C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193109171 165318888 /nfs/dbraw/zinc/31/88/88/165318888.db2.gz HCEMCRLRDKXPIO-HOCLYGCPSA-N 1 0 312.394 3.151 10 0 DGAERO CC(C)[NH2+]CCN1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000193471143 165326703 /nfs/dbraw/zinc/32/67/03/165326703.db2.gz RNSLZXHKICOWMX-KRWDZBQOSA-N 1 0 312.461 3.254 10 0 DGAERO Cc1nc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)nc2ccccc12 ZINC000193862739 165332688 /nfs/dbraw/zinc/33/26/88/165332688.db2.gz ZZPUXIIZUVWONB-CQSZACIVSA-N 1 0 307.401 3.041 10 0 DGAERO COc1cc(C[NH+]2CCC(Cc3nccn3C)CC2)ccc1C ZINC000193910707 165334619 /nfs/dbraw/zinc/33/46/19/165334619.db2.gz XEORHEKGSSHUQC-UHFFFAOYSA-N 1 0 313.445 3.192 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]CC[C@H](C)c1ccccc1)CC2 ZINC000194397294 165344710 /nfs/dbraw/zinc/34/47/10/165344710.db2.gz MCNBWLSAYVYPTB-DOTOQJQBSA-N 1 0 312.461 3.500 10 0 DGAERO CC(C)N(C(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2)C(C)C ZINC000194515336 165347955 /nfs/dbraw/zinc/34/79/55/165347955.db2.gz IWUCSCVPJIGPGS-AWEZNQCLSA-N 1 0 303.450 3.078 10 0 DGAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1cccc(F)c1 ZINC000194517337 165348210 /nfs/dbraw/zinc/34/82/10/165348210.db2.gz RQYBGNLSKICBOM-LBPRGKRZSA-N 1 0 313.376 3.210 10 0 DGAERO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000194637273 165350251 /nfs/dbraw/zinc/35/02/51/165350251.db2.gz GFBFQDBMFUDJBM-QGZVFWFLSA-N 1 0 302.393 3.384 10 0 DGAERO C[C@@H](CC[NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1 ZINC000194988851 165359919 /nfs/dbraw/zinc/35/99/19/165359919.db2.gz NRXLQQOKPXGYAK-WMZOPIPTSA-N 1 0 310.445 3.229 10 0 DGAERO O=C(c1ccc(-c2ccccc2F)o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195317967 165365476 /nfs/dbraw/zinc/36/54/76/165365476.db2.gz SWUOGKHMMXEBDY-ZDUSSCGKSA-N 1 0 314.360 3.006 10 0 DGAERO O[C@@H](Cc1ccccc1)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195361178 165366999 /nfs/dbraw/zinc/36/69/99/165366999.db2.gz XUQMEFDBQDTTIQ-JKSUJKDBSA-N 1 0 302.443 3.274 10 0 DGAERO Cc1csc([C@H]2CN(CCOc3cccc(C)c3)CCO2)n1 ZINC000195393143 165369001 /nfs/dbraw/zinc/36/90/01/165369001.db2.gz ZTULPAHAAXSDMC-MRXNPFEDSA-N 1 0 318.442 3.212 10 0 DGAERO CCc1csc([C@H]2CCCN(Cc3nnc(CC)o3)C2)n1 ZINC000195378868 165369048 /nfs/dbraw/zinc/36/90/48/165369048.db2.gz CJQUCMUAWAZQPS-NSHDSACASA-N 1 0 306.435 3.031 10 0 DGAERO CCc1csc([C@H]2CCCN(Cc3ncc(Cl)n3C)C2)n1 ZINC000195377528 165369533 /nfs/dbraw/zinc/36/95/33/165369533.db2.gz LLRLOECUOIJGNE-NSHDSACASA-N 1 0 324.881 3.472 10 0 DGAERO Cn1nccc1C1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000195513315 165371495 /nfs/dbraw/zinc/37/14/95/165371495.db2.gz QGFAIVMIXYQQEY-UHFFFAOYSA-N 1 0 319.836 3.332 10 0 DGAERO CCCCN(CCCC)C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505959 165372023 /nfs/dbraw/zinc/37/20/23/165372023.db2.gz FWLRVEKHVAVJBF-UHFFFAOYSA-N 1 0 320.481 3.018 10 0 DGAERO CC[C@H](c1ccccc1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509364 165372216 /nfs/dbraw/zinc/37/22/16/165372216.db2.gz IIEMPDFVDCLLDD-GOSISDBHSA-N 1 0 313.445 3.206 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000195520317 165374579 /nfs/dbraw/zinc/37/45/79/165374579.db2.gz RHTYSNRFSDTXPD-FUHWJXTLSA-N 1 0 312.461 3.499 10 0 DGAERO Cc1cc(CN2CCCC[C@H]2[C@H](C)[NH3+])ccc1Br ZINC000227372207 165385857 /nfs/dbraw/zinc/38/58/57/165385857.db2.gz GFVFSTMQPZVZKE-WFASDCNBSA-N 1 0 311.267 3.459 10 0 DGAERO Cc1ccc(CN2CCC[C@@H](C)[C@H]2C[NH3+])c(Br)c1 ZINC000228282904 165389063 /nfs/dbraw/zinc/38/90/63/165389063.db2.gz GFTPAUPFHVAWSO-IUODEOHRSA-N 1 0 311.267 3.317 10 0 DGAERO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000230155574 165393816 /nfs/dbraw/zinc/39/38/16/165393816.db2.gz NYCWIZXNXHALQE-TVQRCGJNSA-N 1 0 302.187 3.245 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2nccs2)[C@@H]1c1cccs1 ZINC000365232618 287111988 /nfs/dbraw/zinc/11/19/88/287111988.db2.gz OUCTXOLXAUMYCN-DGCLKSJQSA-N 1 0 321.471 3.018 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC)cc1C ZINC000246048175 165499893 /nfs/dbraw/zinc/49/98/93/165499893.db2.gz AJSONCYHCVAQAT-CABCVRRESA-N 1 0 317.433 3.094 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000247957057 165602097 /nfs/dbraw/zinc/60/20/97/165602097.db2.gz FRCBNAJUUCRMAS-IEZWGBDMSA-N 1 0 313.445 3.133 10 0 DGAERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1C ZINC000251849764 165694540 /nfs/dbraw/zinc/69/45/40/165694540.db2.gz NLBXLFLFPSVXHC-IUODEOHRSA-N 1 0 310.825 3.025 10 0 DGAERO Cc1ccc(C(C)C)c(OCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261678931 165732291 /nfs/dbraw/zinc/73/22/91/165732291.db2.gz AMQCVLXMNAWQRI-QGZVFWFLSA-N 1 0 318.461 3.083 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000261765032 165745796 /nfs/dbraw/zinc/74/57/96/165745796.db2.gz NVLUDXMRHIRNAX-ZKYQVNSYSA-N 1 0 314.351 3.258 10 0 DGAERO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261876332 165759941 /nfs/dbraw/zinc/75/99/41/165759941.db2.gz ZSFDVTPUCQCFTB-ZJUUUORDSA-N 1 0 314.216 3.067 10 0 DGAERO Fc1ccc2oc(C[NH2+][C@H]3CCCC[C@H]3n3cccn3)nc2c1 ZINC000128593503 195977076 /nfs/dbraw/zinc/97/70/76/195977076.db2.gz UXEBIHBINVWMTR-DZGCQCFKSA-N 1 0 314.364 3.437 10 0 DGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(c2ccccc2)CC1 ZINC000262495996 165805418 /nfs/dbraw/zinc/80/54/18/165805418.db2.gz LKGYMZFUIUKJMZ-OTWHNJEPSA-N 1 0 312.457 3.313 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262554833 165809958 /nfs/dbraw/zinc/80/99/58/165809958.db2.gz TYAGWYQLZXTRCV-RVSPLBMKSA-N 1 0 322.836 3.119 10 0 DGAERO CCC(CC)(NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000262601797 165813093 /nfs/dbraw/zinc/81/30/93/165813093.db2.gz XUSWGTJMGYKRPQ-LBPRGKRZSA-N 1 0 308.853 3.327 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)C1 ZINC000262647498 165814238 /nfs/dbraw/zinc/81/42/38/165814238.db2.gz SYQPLPGFNQDFAL-KBPBESRZSA-N 1 0 311.385 3.285 10 0 DGAERO CSCc1cc(F)ccc1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263218846 165845604 /nfs/dbraw/zinc/84/56/04/165845604.db2.gz LMVJRVMUUDWTRU-WBVHZDCISA-N 1 0 324.465 3.213 10 0 DGAERO CN(C(=O)C[N@@H+]1CCCC12CCC2)c1nc2ccccc2s1 ZINC000365631175 287156403 /nfs/dbraw/zinc/15/64/03/287156403.db2.gz QACJCIOQVXINHH-UHFFFAOYSA-N 1 0 315.442 3.278 10 0 DGAERO C[C@@H]1c2ccccc2O[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000365839064 287178985 /nfs/dbraw/zinc/17/89/85/287178985.db2.gz SJNVRBPJPBJOBY-FZKQIMNGSA-N 1 0 320.396 3.126 10 0 DGAERO CCc1noc(C)c1C[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000365840546 287179016 /nfs/dbraw/zinc/17/90/16/287179016.db2.gz WKKRSGGSCSAFKO-UHFFFAOYSA-N 1 0 300.402 3.155 10 0 DGAERO c1cc(-c2ccc(CN3CCCC[C@H]([NH+]4CCCC4)C3)o2)n[nH]1 ZINC000366028111 287202045 /nfs/dbraw/zinc/20/20/45/287202045.db2.gz UAGAJWLOADXNMK-HNNXBMFYSA-N 1 0 314.433 3.120 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)o2)n[nH]1 ZINC000366028072 287202129 /nfs/dbraw/zinc/20/21/29/287202129.db2.gz SZQMFTZSZRWLFQ-XKQJLSEDSA-N 1 0 313.401 3.107 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000181930422 432151571 /nfs/dbraw/zinc/15/15/71/432151571.db2.gz XQUCIECPNLOLQH-KRWDZBQOSA-N 1 0 317.408 3.222 10 0 DGAERO C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000129417003 196046294 /nfs/dbraw/zinc/04/62/94/196046294.db2.gz QPSWYOQXMVSMKM-SFHVURJKSA-N 1 0 300.377 3.235 10 0 DGAERO C[C@H](CCc1ccccc1F)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246724117 432159347 /nfs/dbraw/zinc/15/93/47/432159347.db2.gz DYBPNUQLNBWACO-INMHGKMJSA-N 1 0 320.452 3.336 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136679461 432159738 /nfs/dbraw/zinc/15/97/38/432159738.db2.gz XZFZCXQITIPABL-KRWDZBQOSA-N 1 0 311.429 3.454 10 0 DGAERO CC(C)[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1F ZINC000182129998 432159993 /nfs/dbraw/zinc/15/99/93/432159993.db2.gz KLNAHWKIJDODIC-CJNGLKHVSA-N 1 0 314.832 3.096 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1c(F)cccc1F ZINC000136707274 432162206 /nfs/dbraw/zinc/16/22/06/432162206.db2.gz IISCFCYNJZEBFW-NWDGAFQWSA-N 1 0 309.360 3.055 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000171693689 432161768 /nfs/dbraw/zinc/16/17/68/432161768.db2.gz KLDOKEIYUYTYAI-HOTGVXAUSA-N 1 0 320.502 3.249 10 0 DGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2ccccc2F)C1 ZINC000190488991 432162063 /nfs/dbraw/zinc/16/20/63/432162063.db2.gz MLKHJIHAMQZCRL-QGZVFWFLSA-N 1 0 313.420 3.175 10 0 DGAERO Fc1ccc([C@@H]([NH2+]CCCn2ccnn2)c2ccccc2)cc1 ZINC000181982435 432153185 /nfs/dbraw/zinc/15/31/85/432153185.db2.gz HQAHFTQEBFBNKV-SFHVURJKSA-N 1 0 310.376 3.187 10 0 DGAERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)cc1F ZINC000246684843 432153900 /nfs/dbraw/zinc/15/39/00/432153900.db2.gz ZGLCNENAJAJUAX-NWDGAFQWSA-N 1 0 312.816 3.342 10 0 DGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCn1cccn1 ZINC000190421933 432155377 /nfs/dbraw/zinc/15/53/77/432155377.db2.gz OQAPJVGFXHPHPD-LLVKDONJSA-N 1 0 324.222 3.005 10 0 DGAERO CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000182107868 432158975 /nfs/dbraw/zinc/15/89/75/432158975.db2.gz MKKMRUYDHHIZCP-KRWDZBQOSA-N 1 0 321.465 3.060 10 0 DGAERO Fc1ccc(-n2ccc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)n2)cc1 ZINC000246726462 432159166 /nfs/dbraw/zinc/15/91/66/432159166.db2.gz OKYHUCRXSOWFDS-KBXCAEBGSA-N 1 0 315.392 3.012 10 0 DGAERO C[C@@H](CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[S@](C)=O ZINC000129523569 196055316 /nfs/dbraw/zinc/05/53/16/196055316.db2.gz VORSNKNIOMBCBK-LAJNKCICSA-N 1 0 309.406 3.332 10 0 DGAERO CSCc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1F ZINC000246771986 432163026 /nfs/dbraw/zinc/16/30/26/432163026.db2.gz CDBDVXHFXVWJRV-MLGOLLRUSA-N 1 0 324.465 3.147 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC000246776039 432165625 /nfs/dbraw/zinc/16/56/25/432165625.db2.gz CGMDIWLTIYJNSJ-HNAYVOBHSA-N 1 0 310.441 3.227 10 0 DGAERO CCC[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190569694 432172153 /nfs/dbraw/zinc/17/21/53/432172153.db2.gz DNRDXTBBJHZWHD-ZFWWWQNUSA-N 1 0 323.506 3.168 10 0 DGAERO Cn1nc(-c2ccccc2)c(C[N@@H+]2CCC[C@@](C)(O)C2)c1Cl ZINC000129563858 196058026 /nfs/dbraw/zinc/05/80/26/196058026.db2.gz JWUKCIQZDGYNNT-QGZVFWFLSA-N 1 0 319.836 3.087 10 0 DGAERO Cc1ccccc1C(=O)NC1CC[NH+](C[Si](C)(C)C)CC1 ZINC000171733179 432166180 /nfs/dbraw/zinc/16/61/80/432166180.db2.gz XQOGWRJIPCDVEC-UHFFFAOYSA-N 1 0 304.510 3.067 10 0 DGAERO Cc1ccc(C)c(NC(=O)CN(C)Cc2ccc(Cl)nc2)c1 ZINC000171749889 432168883 /nfs/dbraw/zinc/16/88/83/432168883.db2.gz XCXAVTIZLWGFEN-UHFFFAOYSA-N 1 0 317.820 3.422 10 0 DGAERO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@H](O)C1CCCCC1 ZINC000190625586 432176418 /nfs/dbraw/zinc/17/64/18/432176418.db2.gz HBOQUIIEMNHKJS-GHNFSYLKSA-N 1 0 323.502 3.358 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(Cl)cc1Cl ZINC000182301523 432177476 /nfs/dbraw/zinc/17/74/76/432177476.db2.gz MPRJZNQLUZPPTC-CMPLNLGQSA-N 1 0 300.233 3.057 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CC2(C)OCCCO2)ccc1SC ZINC000190647499 432178480 /nfs/dbraw/zinc/17/84/80/432178480.db2.gz IZAMRIRABHRWEE-GFCCVEGCSA-N 1 0 311.447 3.221 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000246888501 432178688 /nfs/dbraw/zinc/17/86/88/432178688.db2.gz DNTJOHJTFYUCKF-WBVHZDCISA-N 1 0 308.853 3.028 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000246915142 432179124 /nfs/dbraw/zinc/17/91/24/432179124.db2.gz INYQDFFDOWHGMI-UWVGGRQHSA-N 1 0 316.232 3.020 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccccc1C ZINC000246925155 432180876 /nfs/dbraw/zinc/18/08/76/432180876.db2.gz JFZHCNIKLZUFEX-ROUUACIJSA-N 1 0 300.446 3.013 10 0 DGAERO CCC[C@@H](C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)[NH+](C)C ZINC000190693846 432182009 /nfs/dbraw/zinc/18/20/09/432182009.db2.gz HAHXKQVQYUHKFE-RYUDHWBXSA-N 1 0 308.388 3.154 10 0 DGAERO CCC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1)[NH+](C)C ZINC000190693901 432182064 /nfs/dbraw/zinc/18/20/64/432182064.db2.gz HAHXKQVQYUHKFE-VXGBXAGGSA-N 1 0 308.388 3.154 10 0 DGAERO O=C(Nc1ccc2c3c(cccc31)CC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171887896 432182057 /nfs/dbraw/zinc/18/20/57/432182057.db2.gz QBJBILOICJUCFQ-INIZCTEOSA-N 1 0 321.424 3.250 10 0 DGAERO C[C@H](CNC(=O)N1CCCC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000171909160 432182181 /nfs/dbraw/zinc/18/21/81/432182181.db2.gz FKQCFRQNBNGLFC-OAHLLOKOSA-N 1 0 303.450 3.091 10 0 DGAERO CC(C)=CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000190584981 432173099 /nfs/dbraw/zinc/17/30/99/432173099.db2.gz YLVYYFFSPWIBNV-UHFFFAOYSA-N 1 0 301.434 3.048 10 0 DGAERO C[C@H]1CC[C@H](CN2CCc3cccc(Br)c3C2)O1 ZINC000190582043 432173118 /nfs/dbraw/zinc/17/31/18/432173118.db2.gz RJRONTDDDYFJGO-WCQYABFASA-N 1 0 310.235 3.375 10 0 DGAERO COc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182288769 432175540 /nfs/dbraw/zinc/17/55/40/432175540.db2.gz NKIRZSINOUUOTH-NSHDSACASA-N 1 0 303.333 3.414 10 0 DGAERO CC(C)Oc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246883116 432175833 /nfs/dbraw/zinc/17/58/33/432175833.db2.gz VAKDLWGHSKFFPE-OIISXLGYSA-N 1 0 316.445 3.011 10 0 DGAERO CC1CC[NH+](CCN2C[C@H](c3ccccc3)OC[C@H]2C)CC1 ZINC000246869916 432176368 /nfs/dbraw/zinc/17/63/68/432176368.db2.gz UOJOEAYBQLCKSA-IEBWSBKVSA-N 1 0 302.462 3.180 10 0 DGAERO CCn1cc([C@@H]2CN(Cc3ccc(C(F)F)cc3)CCO2)cn1 ZINC000190741202 432184773 /nfs/dbraw/zinc/18/47/73/432184773.db2.gz FPOJFCOZKBSCAA-INIZCTEOSA-N 1 0 321.371 3.414 10 0 DGAERO CCCc1nc(C)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)s1 ZINC000246954729 432184924 /nfs/dbraw/zinc/18/49/24/432184924.db2.gz MDPXBAUVCDIMTK-ZIAGYGMSSA-N 1 0 321.490 3.103 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000182405139 432187593 /nfs/dbraw/zinc/18/75/93/432187593.db2.gz UNEMGNRFZKAOEB-QGZVFWFLSA-N 1 0 315.392 3.068 10 0 DGAERO Cc1cc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)on1 ZINC000171973829 432188440 /nfs/dbraw/zinc/18/84/40/432188440.db2.gz MSARLGZZPYJGSC-UHFFFAOYSA-N 1 0 311.429 3.258 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(-n2cccc2)c1 ZINC000247016896 432191961 /nfs/dbraw/zinc/19/19/61/432191961.db2.gz SAQBWDCMRFSHEH-MJGOQNOKSA-N 1 0 323.440 3.176 10 0 DGAERO CCSCc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247062944 432198343 /nfs/dbraw/zinc/19/83/43/432198343.db2.gz HJIIFSMXITXKJZ-PBHICJAKSA-N 1 0 318.486 3.248 10 0 DGAERO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)C2CCCC2)c1C ZINC000172168307 432199029 /nfs/dbraw/zinc/19/90/29/432199029.db2.gz KXMFQFJARODKPQ-YPMHNXCESA-N 1 0 320.433 3.158 10 0 DGAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)cc1 ZINC000190848631 432193991 /nfs/dbraw/zinc/19/39/91/432193991.db2.gz GJHIHBNHJSGDGF-YOEHRIQHSA-N 1 0 304.434 3.282 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cnc3cc(F)c(F)cc3n2)C1 ZINC000129787273 196075848 /nfs/dbraw/zinc/07/58/48/196075848.db2.gz SIGHDPOUFRMKQP-BMIGLBTASA-N 1 0 306.360 3.049 10 0 DGAERO CC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000269669601 432195580 /nfs/dbraw/zinc/19/55/80/432195580.db2.gz ZVIXLYSPHCSSAS-INIZCTEOSA-N 1 0 303.427 3.263 10 0 DGAERO CN(C)C(=O)[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccccc1 ZINC000172089244 432196237 /nfs/dbraw/zinc/19/62/37/432196237.db2.gz HZWZNLBCQGZUMV-SFHVURJKSA-N 1 0 314.404 3.177 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@H]1c1ccco1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247045314 432196422 /nfs/dbraw/zinc/19/64/22/432196422.db2.gz OECOFNQSVVSFAW-PMPSAXMXSA-N 1 0 319.449 3.247 10 0 DGAERO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)C1CCCC1 ZINC000172194735 432201124 /nfs/dbraw/zinc/20/11/24/432201124.db2.gz ZRUDAFUNXGZBHT-TZMCWYRMSA-N 1 0 309.479 3.229 10 0 DGAERO Cn1c(CN2CC=C(c3cccs3)CC2)nnc1C1CC1 ZINC000172194068 432201182 /nfs/dbraw/zinc/20/11/82/432201182.db2.gz KDIRAISVWBPTJV-UHFFFAOYSA-N 1 0 300.431 3.043 10 0 DGAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccs2)c1 ZINC000182540268 432201805 /nfs/dbraw/zinc/20/18/05/432201805.db2.gz MTHGPUVOHFGUFJ-SWLSCSKDSA-N 1 0 319.426 3.041 10 0 DGAERO CCCC[N@H+](CCCC(=O)NC(N)=O)[C@@H](CC)c1ccccc1 ZINC000172175254 432202274 /nfs/dbraw/zinc/20/22/74/432202274.db2.gz YEENEWGSQVXLGK-INIZCTEOSA-N 1 0 319.449 3.215 10 0 DGAERO Cc1ccc([C@H](C)N(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247083750 432200488 /nfs/dbraw/zinc/20/04/88/432200488.db2.gz JHEYPNUKGTZEHC-SOLBZPMBSA-N 1 0 317.477 3.426 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CCS1 ZINC000131326120 196160523 /nfs/dbraw/zinc/16/05/23/196160523.db2.gz XSLNOVBZIFYLRI-GFCCVEGCSA-N 1 0 307.850 3.463 10 0 DGAERO CS[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247216190 432211292 /nfs/dbraw/zinc/21/12/92/432211292.db2.gz CKHZDTWTAHDBBA-KBMXLJTQSA-N 1 0 306.475 3.032 10 0 DGAERO CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000182668515 432215325 /nfs/dbraw/zinc/21/53/25/432215325.db2.gz MMFPWGSKWMZJIC-KSZLIROESA-N 1 0 318.461 3.001 10 0 DGAERO CCc1ccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000172247591 432205934 /nfs/dbraw/zinc/20/59/34/432205934.db2.gz JVDIEGCMFORZRK-GOSISDBHSA-N 1 0 310.445 3.140 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(-c2ccoc2)n1 ZINC000247146051 432206435 /nfs/dbraw/zinc/20/64/35/432206435.db2.gz JXGCNMBVGMYWEV-WFASDCNBSA-N 1 0 303.431 3.072 10 0 DGAERO CC(C)[N@H+](CCC(=O)Nc1ccccc1F)C1CCOCC1 ZINC000172663041 432227596 /nfs/dbraw/zinc/22/75/96/432227596.db2.gz PMTRAJBDWSEQDU-UHFFFAOYSA-N 1 0 308.397 3.044 10 0 DGAERO Cc1ccc(-c2cc(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)on2)cc1 ZINC000247406136 432228089 /nfs/dbraw/zinc/22/80/89/432228089.db2.gz PSWJHYQNBAGYRM-NVXWUHKLSA-N 1 0 311.429 3.319 10 0 DGAERO CCC[C@@H]1C[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000182668477 432216212 /nfs/dbraw/zinc/21/62/12/432216212.db2.gz MMFPWGSKWMZJIC-KURKYZTESA-N 1 0 318.461 3.001 10 0 DGAERO CC[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1nccs1 ZINC000247259388 432216567 /nfs/dbraw/zinc/21/65/67/432216567.db2.gz AYSABWCAJWPOCE-KGLIPLIRSA-N 1 0 324.494 3.158 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCN(C)c1ccccc1 ZINC000131501206 196175473 /nfs/dbraw/zinc/17/54/73/196175473.db2.gz NCPBFUOPHJXBLH-GOSISDBHSA-N 1 0 312.461 3.310 10 0 DGAERO CC[C@H](NC1CC[NH+](CC2CCCC2)CC1)c1nccn1C ZINC000182680088 432217237 /nfs/dbraw/zinc/21/72/37/432217237.db2.gz AFPPICXNRVTTMI-KRWDZBQOSA-N 1 0 304.482 3.115 10 0 DGAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000182686880 432219650 /nfs/dbraw/zinc/21/96/50/432219650.db2.gz QTAFXZSIIUIROU-GJZGRUSLSA-N 1 0 307.434 3.302 10 0 DGAERO C[C@@H](CCNC(=O)N1CCC[C@@H]1c1ccco1)[NH+]1CCCCC1 ZINC000182702622 432220903 /nfs/dbraw/zinc/22/09/03/432220903.db2.gz QUNQPJQLQJBBQT-JKSUJKDBSA-N 1 0 319.449 3.391 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1F ZINC000247321902 432222011 /nfs/dbraw/zinc/22/20/11/432222011.db2.gz LFUKXEVZXIWFRB-JQWIXIFHSA-N 1 0 311.788 3.180 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CCOc1ccc(F)cc1Cl ZINC000191153593 432228429 /nfs/dbraw/zinc/22/84/29/432228429.db2.gz FAUXDYQKCSGXSH-QWRGUYRKSA-N 1 0 301.789 3.092 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)SCc2ccccc2)C1 ZINC000247342374 432222584 /nfs/dbraw/zinc/22/25/84/432222584.db2.gz NQHJXINKHTWMGY-HLLBOEOZSA-N 1 0 320.502 3.153 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCCCC2)[C@H](C)C1 ZINC000247345117 432223090 /nfs/dbraw/zinc/22/30/90/432223090.db2.gz JJPKTDJXNVUYGM-SPUZQDLCSA-N 1 0 306.494 3.392 10 0 DGAERO c1cn(CCc2ccccc2)c(C[NH2+][C@H]2CCCSC2)n1 ZINC000131691978 196191626 /nfs/dbraw/zinc/19/16/26/196191626.db2.gz ZXXONFCQGPDJGI-INIZCTEOSA-N 1 0 301.459 3.111 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)cn1 ZINC000131867995 196205163 /nfs/dbraw/zinc/20/51/63/196205163.db2.gz NQKGMVSSYSVDGX-KRWDZBQOSA-N 1 0 311.429 3.471 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000132194527 196234084 /nfs/dbraw/zinc/23/40/84/196234084.db2.gz KVFVJJRZUFLMLY-VYDXJSESSA-N 1 0 303.450 3.118 10 0 DGAERO NC(=O)c1csc(C[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000132206964 196234975 /nfs/dbraw/zinc/23/49/75/196234975.db2.gz PEJDNVPTBFATQT-UHFFFAOYSA-N 1 0 304.415 3.385 10 0 DGAERO CCc1csc([C@@H]2CCCN(CC[NH+]3CCCCC3)C2)n1 ZINC000132256272 196239970 /nfs/dbraw/zinc/23/99/70/196239970.db2.gz PRLDOELJAHRPGW-OAHLLOKOSA-N 1 0 307.507 3.371 10 0 DGAERO Cc1cc(Cl)cc(C(=O)Nc2nc3c(s2)C[NH2+]CC3)c1 ZINC000134025215 196354690 /nfs/dbraw/zinc/35/46/90/196354690.db2.gz WPFHNVLYNFJGMW-UHFFFAOYSA-N 1 0 307.806 3.003 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](O)COc1cc(C)ccc1C)c1nccs1 ZINC000134235442 196373078 /nfs/dbraw/zinc/37/30/78/196373078.db2.gz CCIVQDGQXSJKJB-CABCVRRESA-N 1 0 320.458 3.241 10 0 DGAERO C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@@H](CO)C(C)(C)C ZINC000134435407 196391533 /nfs/dbraw/zinc/39/15/33/196391533.db2.gz PBDQPIYIDOZYAF-HNNXBMFYSA-N 1 0 306.381 3.320 10 0 DGAERO COCC[C@@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000081705852 292625566 /nfs/dbraw/zinc/62/55/66/292625566.db2.gz OULBOJYLXDMFPT-ZWNOBZJWSA-N 1 0 314.223 3.287 10 0 DGAERO c1nc2c(c(N3CCC[C@H]([NH+]4CCCC4)CC3)n1)CCCCC2 ZINC000163245663 228261916 /nfs/dbraw/zinc/26/19/16/228261916.db2.gz ATDCQPUXDUJZNK-INIZCTEOSA-N 1 0 314.477 3.200 10 0 DGAERO C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C1CCCC1 ZINC000172182681 228274819 /nfs/dbraw/zinc/27/48/19/228274819.db2.gz GSAKUJORVGWIJW-INIZCTEOSA-N 1 0 309.498 3.376 10 0 DGAERO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)C1CCCC1 ZINC000172231550 228275371 /nfs/dbraw/zinc/27/53/71/228275371.db2.gz LOTDTIVHFAVCIK-INIZCTEOSA-N 1 0 317.477 3.339 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2F)cc1F ZINC000176127355 228309136 /nfs/dbraw/zinc/30/91/36/228309136.db2.gz WSUDMTSMZGUIBI-HIFRSBDPSA-N 1 0 321.367 3.364 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccccc2)cc1F ZINC000176127598 228310177 /nfs/dbraw/zinc/31/01/77/228310177.db2.gz BQXYKGLEEVLYMV-CRAIPNDOSA-N 1 0 317.404 3.362 10 0 DGAERO c1ncn([C@H]2CCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)n1 ZINC000179466369 228351335 /nfs/dbraw/zinc/35/13/35/228351335.db2.gz MBOAVOXDCAEBOV-IBGZPJMESA-N 1 0 319.412 3.177 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2C)cc1F ZINC000181351504 228361447 /nfs/dbraw/zinc/36/14/47/228361447.db2.gz XBOUDNNHHZGEOP-OAHLLOKOSA-N 1 0 314.404 3.410 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](C)N1CCOCC1)CCS2 ZINC000186966466 228418428 /nfs/dbraw/zinc/41/84/28/228418428.db2.gz QEGLOVINHHYLLO-NVXWUHKLSA-N 1 0 320.502 3.151 10 0 DGAERO CSCCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130485058 292635729 /nfs/dbraw/zinc/63/57/29/292635729.db2.gz JHCAVELZPQSGPY-AWEZNQCLSA-N 1 0 316.511 3.366 10 0 DGAERO CCC[C@H](C(=O)N[C@H](C)c1c(F)cccc1Cl)[NH+](C)C ZINC000130646308 292638620 /nfs/dbraw/zinc/63/86/20/292638620.db2.gz MSAUSNVTUHOJAQ-ZWNOBZJWSA-N 1 0 300.805 3.387 10 0 DGAERO c1ccc(COc2cc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)ncn2)cc1 ZINC000413061269 230123956 /nfs/dbraw/zinc/12/39/56/230123956.db2.gz NADXHESQZPUFJP-DLBZAZTESA-N 1 0 324.428 3.094 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000302575823 230305813 /nfs/dbraw/zinc/30/58/13/230305813.db2.gz CPNVRKXISSUEHI-GXFFZTMASA-N 1 0 316.214 3.229 10 0 DGAERO CCCC[C@@H](CC)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037219384 263514144 /nfs/dbraw/zinc/51/41/44/263514144.db2.gz FMSIVFQDXZABEZ-ZIAGYGMSSA-N 1 0 312.479 3.201 10 0 DGAERO CCC1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182417829 263591438 /nfs/dbraw/zinc/59/14/38/263591438.db2.gz PJDZKYZCXQBTGT-ODZFXCKXSA-N 1 0 307.482 3.081 10 0 DGAERO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCCN1CCCC1=O ZINC000186085235 263649162 /nfs/dbraw/zinc/64/91/62/263649162.db2.gz VZPMEILJNCQDSK-KRWDZBQOSA-N 1 0 300.446 3.283 10 0 DGAERO CCCC[C@H](CC)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189062255 263708287 /nfs/dbraw/zinc/70/82/87/263708287.db2.gz XFHPXDGHNXLTSP-DLBZAZTESA-N 1 0 306.425 3.485 10 0 DGAERO FC(F)Oc1ccccc1CC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000190883269 263744675 /nfs/dbraw/zinc/74/46/75/263744675.db2.gz RGDPBJXYBDCKRD-UHFFFAOYSA-N 1 0 317.339 3.497 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000191383180 263754651 /nfs/dbraw/zinc/75/46/51/263754651.db2.gz NVNQOLMKUPDRJD-AWEZNQCLSA-N 1 0 307.438 3.200 10 0 DGAERO C[C@H]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194051354 263806273 /nfs/dbraw/zinc/80/62/73/263806273.db2.gz MGAUYYVBIWRJGR-WMZOPIPTSA-N 1 0 321.509 3.330 10 0 DGAERO CSC[C@H](C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000229361917 263842157 /nfs/dbraw/zinc/84/21/57/263842157.db2.gz FXOSSCUKLQKJDR-UWVGGRQHSA-N 1 0 324.273 3.074 10 0 DGAERO c1ccc(Cc2noc(CN[C@H](c3cccnc3)C3CC3)n2)cc1 ZINC000347356036 264204395 /nfs/dbraw/zinc/20/43/95/264204395.db2.gz HCUHGFNZKGHMFO-IBGZPJMESA-N 1 0 320.396 3.296 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCCCO1)CC2 ZINC000347477557 264226949 /nfs/dbraw/zinc/22/69/49/264226949.db2.gz CVCGCAJBCRHVON-IBGZPJMESA-N 1 0 301.430 3.249 10 0 DGAERO C[N@@H+](Cc1cscc1Br)C[C@H]1CCCC[C@@H]1O ZINC000348124968 264346395 /nfs/dbraw/zinc/34/63/95/264346395.db2.gz XJCVLAREZQLZJD-MFKMUULPSA-N 1 0 318.280 3.494 10 0 DGAERO C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000172703459 432228979 /nfs/dbraw/zinc/22/89/79/432228979.db2.gz UBOYYCIKALWXPZ-RDTXWAMCSA-N 1 0 314.404 3.348 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000352882228 265213722 /nfs/dbraw/zinc/21/37/22/265213722.db2.gz LAIGJOJAYFLBMN-CYBMUJFWSA-N 1 0 304.203 3.085 10 0 DGAERO Cc1c([C@H](C)[NH2+]Cc2cccnc2N(C)C)cnn1C(C)C ZINC000191171938 432230018 /nfs/dbraw/zinc/23/00/18/432230018.db2.gz ITDKWYLFQHRSMG-ZDUSSCGKSA-N 1 0 301.438 3.084 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000247408505 432229417 /nfs/dbraw/zinc/22/94/17/432229417.db2.gz RNTAWSZRULXLOK-XJKSGUPXSA-N 1 0 320.864 3.217 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)cc2c1C ZINC000247409920 432229595 /nfs/dbraw/zinc/22/95/95/432229595.db2.gz QBSFIQONQGELBD-MLGOLLRUSA-N 1 0 311.429 3.093 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000191179974 432231110 /nfs/dbraw/zinc/23/11/10/432231110.db2.gz FDJZUHRMRBHMBH-HSMVNMDESA-N 1 0 322.836 3.067 10 0 DGAERO Brc1ccccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000355138000 265976734 /nfs/dbraw/zinc/97/67/34/265976734.db2.gz RQFLHFSLTQYXOC-ZFWWWQNUSA-N 1 0 310.235 3.450 10 0 DGAERO c1c(C2CC2)nn2ccnc(NC[C@@H]3CCCC[N@@H+]3C3CC3)c12 ZINC000631249590 424832372 /nfs/dbraw/zinc/83/23/72/424832372.db2.gz UEYDAIVTQDPFBX-HNNXBMFYSA-N 1 0 311.433 3.036 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(Br)cn1 ZINC000355488241 266090829 /nfs/dbraw/zinc/09/08/29/266090829.db2.gz UTIGXZUIQROQCS-IJLUTSLNSA-N 1 0 313.239 3.310 10 0 DGAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000356259152 266334714 /nfs/dbraw/zinc/33/47/14/266334714.db2.gz ABXUUHTZWRAMLQ-NZSAHSFTSA-N 1 0 301.430 3.382 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(Cl)c1 ZINC000247487845 432235505 /nfs/dbraw/zinc/23/55/05/432235505.db2.gz KRGHKFWBTWWWJN-GJZGRUSLSA-N 1 0 307.825 3.431 10 0 DGAERO COc1ccc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)cc1O ZINC000191226160 432237493 /nfs/dbraw/zinc/23/74/93/432237493.db2.gz KBIOGUFCDHKYLI-UHFFFAOYSA-N 1 0 305.418 3.324 10 0 DGAERO Cc1cccc(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000247538271 432239462 /nfs/dbraw/zinc/23/94/62/432239462.db2.gz XVLKRCPKQILEJH-RDJZCZTQSA-N 1 0 318.461 3.013 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000247527062 432239501 /nfs/dbraw/zinc/23/95/01/432239501.db2.gz OQVHTJASDOLWRL-NHYWBVRUSA-N 1 0 312.816 3.281 10 0 DGAERO Cc1cc2oc(=O)cc(C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)c2cc1C ZINC000191258452 432239978 /nfs/dbraw/zinc/23/99/78/432239978.db2.gz BWCXMVVLEAXJJV-KBPBESRZSA-N 1 0 315.413 3.144 10 0 DGAERO Cc1ccc(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000247538640 432240529 /nfs/dbraw/zinc/24/05/29/432240529.db2.gz XWHKCJZHJPYDOR-IRXDYDNUSA-N 1 0 318.461 3.013 10 0 DGAERO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000247549957 432241456 /nfs/dbraw/zinc/24/14/56/432241456.db2.gz SEJMVDDHELLISJ-WBVHZDCISA-N 1 0 301.386 3.165 10 0 DGAERO Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247578443 432242877 /nfs/dbraw/zinc/24/28/77/432242877.db2.gz XZCGJTVVHMYBRU-APWZRJJASA-N 1 0 323.440 3.030 10 0 DGAERO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H](C)CS(C)(=O)=O ZINC000247685685 432246564 /nfs/dbraw/zinc/24/65/64/432246564.db2.gz SCOZEVDCPBCBBG-DOTOQJQBSA-N 1 0 311.491 3.010 10 0 DGAERO C[C@@H]1CCOCC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000367661264 271060012 /nfs/dbraw/zinc/06/00/12/271060012.db2.gz LAQFXVDZFXAFSK-OAHLLOKOSA-N 1 0 312.413 3.279 10 0 DGAERO OC[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CC[C@H]1c1ccccc1 ZINC000367720195 271070186 /nfs/dbraw/zinc/07/01/86/271070186.db2.gz LAYSHJKMTSMJBX-MOPGFXCFSA-N 1 0 321.424 3.161 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000368098590 271134255 /nfs/dbraw/zinc/13/42/55/271134255.db2.gz BWCPKDUXLSJDDA-PXAZEXFGSA-N 1 0 306.413 3.416 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000173014968 432252040 /nfs/dbraw/zinc/25/20/40/432252040.db2.gz USODTWUIQUYONA-AWEZNQCLSA-N 1 0 321.490 3.275 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000183057632 432255066 /nfs/dbraw/zinc/25/50/66/432255066.db2.gz AMJHQJUPGKEIAS-QZTJIDSGSA-N 1 0 318.509 3.106 10 0 DGAERO CC[C@H](c1ccccc1)[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000247926465 432255190 /nfs/dbraw/zinc/25/51/90/432255190.db2.gz ZVQRAKSFZNUDSV-RTBURBONSA-N 1 0 313.445 3.352 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1-n1cncn1 ZINC000247101426 273556420 /nfs/dbraw/zinc/55/64/20/273556420.db2.gz QBBVCEXQLCLRQN-OIISXLGYSA-N 1 0 313.449 3.213 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000232943345 273579979 /nfs/dbraw/zinc/57/99/79/273579979.db2.gz QEMQBJKPVYHYOH-HIFRSBDPSA-N 1 0 304.459 3.118 10 0 DGAERO CC[C@@H](COC)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000079733500 273719390 /nfs/dbraw/zinc/71/93/90/273719390.db2.gz LYXDRQAMCBICQR-WCQYABFASA-N 1 0 314.223 3.287 10 0 DGAERO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccs3)C2)ncn1 ZINC000246461242 273767804 /nfs/dbraw/zinc/76/78/04/273767804.db2.gz PWRDMGWVALQCJX-UKRRQHHQSA-N 1 0 316.474 3.420 10 0 DGAERO CN1C(=O)C[C@@H]([NH2+]Cc2cccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000092849913 273863696 /nfs/dbraw/zinc/86/36/96/273863696.db2.gz FTKNHNYNSFGTMK-ZBFHGGJFSA-N 1 0 320.845 3.463 10 0 DGAERO CC(C)N(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000247987639 432258534 /nfs/dbraw/zinc/25/85/34/432258534.db2.gz IPSLAVORRROYQN-SJORKVTESA-N 1 0 301.434 3.014 10 0 DGAERO O=C(C1CCC(c2ccccc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173098651 432258500 /nfs/dbraw/zinc/25/85/00/432258500.db2.gz UECAZEZXZBDYGN-CTWPCTMYSA-N 1 0 312.457 3.267 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc4cccnc43)[C@H]2C1 ZINC000246201069 274065582 /nfs/dbraw/zinc/06/55/82/274065582.db2.gz DSLSPGNXMZCRPD-SQNIBIBYSA-N 1 0 312.413 3.003 10 0 DGAERO COc1c(C)cnc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C ZINC000470958437 274088249 /nfs/dbraw/zinc/08/82/49/274088249.db2.gz HMOUQRDRYFDLNS-NWDGAFQWSA-N 1 0 302.340 3.480 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(-n2cncn2)cc1 ZINC000178278842 274258691 /nfs/dbraw/zinc/25/86/91/274258691.db2.gz QKCMGJPUULOPQQ-RDTXWAMCSA-N 1 0 320.396 3.442 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)N1CCC(C)CC1 ZINC000192358474 274526739 /nfs/dbraw/zinc/52/67/39/274526739.db2.gz YXFMEQZPQQDMOQ-YOEHRIQHSA-N 1 0 316.445 3.006 10 0 DGAERO O=C(N[C@@H]1CCCc2sccc21)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250175018 274984729 /nfs/dbraw/zinc/98/47/29/274984729.db2.gz NQKCCZHRSOCQON-NGFQHRJXSA-N 1 0 304.459 3.162 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000247976072 432260185 /nfs/dbraw/zinc/26/01/85/432260185.db2.gz KYFGDEWAHOCVMC-XYJFISCASA-N 1 0 310.445 3.038 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]2[NH2+]CC[C@H]1CCOC1 ZINC000230410818 275371325 /nfs/dbraw/zinc/37/13/25/275371325.db2.gz KWKVWHDNIRETML-XHDPSFHLSA-N 1 0 310.235 3.453 10 0 DGAERO CC1(C)CN(C(=O)C[C@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261962156 275836182 /nfs/dbraw/zinc/83/61/82/275836182.db2.gz KYXJGTIFYZKXAV-WBVHZDCISA-N 1 0 300.446 3.082 10 0 DGAERO CC1(C)C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)C(C)(C)O1 ZINC000152571443 275861075 /nfs/dbraw/zinc/86/10/75/275861075.db2.gz VMXLVSKMXZCDTH-NVXWUHKLSA-N 1 0 302.462 3.449 10 0 DGAERO CCC1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)COC1 ZINC000453380796 275964503 /nfs/dbraw/zinc/96/45/03/275964503.db2.gz RHHRQGAMZPLMQZ-AWEZNQCLSA-N 1 0 314.351 3.494 10 0 DGAERO CCCOCc1ccccc1C[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453072484 276019135 /nfs/dbraw/zinc/01/91/35/276019135.db2.gz YGVJXLQOGCUKGZ-MRXNPFEDSA-N 1 0 321.461 3.287 10 0 DGAERO CCCn1ccnc1CCC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000191479692 276059249 /nfs/dbraw/zinc/05/92/49/276059249.db2.gz QKRHGIUCOSYLGB-LJQANCHMSA-N 1 0 315.461 3.065 10 0 DGAERO CCN(C)C(=O)[C@@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(C)C ZINC000449441423 276067886 /nfs/dbraw/zinc/06/78/86/276067886.db2.gz QZNZIJODYLIQHF-SQNIBIBYSA-N 1 0 302.462 3.415 10 0 DGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000189370382 276090364 /nfs/dbraw/zinc/09/03/64/276090364.db2.gz HYFBVMYTEDXHPO-GDBMZVCRSA-N 1 0 304.434 3.055 10 0 DGAERO CC1(C)CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176490937 276105433 /nfs/dbraw/zinc/10/54/33/276105433.db2.gz WDFSHCHEXPMUCU-UHFFFAOYSA-N 1 0 307.482 3.368 10 0 DGAERO CC[N@H+](C[C@@H](C)Cc1ccccc1)[C@H](C)CS(=O)(=O)CC ZINC000249463797 276350918 /nfs/dbraw/zinc/35/09/18/276350918.db2.gz RPPABPXJALIWJE-JKSUJKDBSA-N 1 0 311.491 3.010 10 0 DGAERO CC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)[C@H](C)C(C)C ZINC000118833292 276355241 /nfs/dbraw/zinc/35/52/41/276355241.db2.gz JZLXXYBZZDCIQP-LLVKDONJSA-N 1 0 319.474 3.340 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C(C)(F)F)C1 ZINC000455800009 276393761 /nfs/dbraw/zinc/39/37/61/276393761.db2.gz FIIDQPYGCRXGAE-LBPRGKRZSA-N 1 0 311.376 3.262 10 0 DGAERO c1cc2c(nc(C3CC3)nc2NC2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000631064782 429973873 /nfs/dbraw/zinc/97/38/73/429973873.db2.gz HKKLRAQXNIYSKA-UHFFFAOYSA-N 1 0 311.433 3.122 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCc2sccc21 ZINC000185944233 276891560 /nfs/dbraw/zinc/89/15/60/276891560.db2.gz GZGOOHRCSFKOER-CYBMUJFWSA-N 1 0 301.415 3.017 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC[C@H]21 ZINC000247998979 277067986 /nfs/dbraw/zinc/06/79/86/277067986.db2.gz KFDWREQWRBGSBL-VQIMIIECSA-N 1 0 323.440 3.238 10 0 DGAERO CC(=O)Nc1ccc([C@@H](C)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000182165040 277082807 /nfs/dbraw/zinc/08/28/07/277082807.db2.gz AGSSENDQNQGMQS-DNVCBOLYSA-N 1 0 317.477 3.416 10 0 DGAERO CC(=O)[C@@](C)(O)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459728802 277097553 /nfs/dbraw/zinc/09/75/53/277097553.db2.gz AOLACZXJPVOIAN-ROUUACIJSA-N 1 0 301.430 3.334 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000091318847 277222058 /nfs/dbraw/zinc/22/20/58/277222058.db2.gz KURRMWVSXWVQPC-MJGOQNOKSA-N 1 0 320.477 3.093 10 0 DGAERO CC(C)CC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000097477866 277353373 /nfs/dbraw/zinc/35/33/73/277353373.db2.gz QLWKJDXXFURHIL-CYBMUJFWSA-N 1 0 320.399 3.298 10 0 DGAERO C[C@@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccnc1 ZINC000143186376 277553242 /nfs/dbraw/zinc/55/32/42/277553242.db2.gz NVXKTHWUEZKFSB-APWZRJJASA-N 1 0 323.440 3.138 10 0 DGAERO C[C@@H]1CCc2sc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)cc2C1 ZINC000262006361 277808563 /nfs/dbraw/zinc/80/85/63/277808563.db2.gz NVDGDAAJDXJRHE-ABAIWWIYSA-N 1 0 306.475 3.072 10 0 DGAERO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c(C)c1 ZINC000071790457 277927956 /nfs/dbraw/zinc/92/79/56/277927956.db2.gz MJMUMGUSLIDKJG-JKSUJKDBSA-N 1 0 320.433 3.055 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]CCn1cc(C)cn1)CCCS2 ZINC000188165276 277981933 /nfs/dbraw/zinc/98/19/33/277981933.db2.gz SDABFMCNIPLEOI-INIZCTEOSA-N 1 0 317.458 3.417 10 0 DGAERO CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170862898 278044926 /nfs/dbraw/zinc/04/49/26/278044926.db2.gz RQGCGEGSEKYAJX-PBHICJAKSA-N 1 0 303.450 3.217 10 0 DGAERO COc1ncccc1C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177207233 278095517 /nfs/dbraw/zinc/09/55/17/278095517.db2.gz SCYJNBIRGJYIJI-AWEZNQCLSA-N 1 0 308.385 3.127 10 0 DGAERO C[C@@H](C(=O)N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCCCC1 ZINC000172092960 278190374 /nfs/dbraw/zinc/19/03/74/278190374.db2.gz DUMWCOUYXIIVPW-QWHCGFSZSA-N 1 0 306.372 3.052 10 0 DGAERO CC(=O)OC1[C@@H](c2ccccc2)C[NH+](C)C[C@@H]1c1ccccc1 ZINC000001593580 278218096 /nfs/dbraw/zinc/21/80/96/278218096.db2.gz XLBMAPKTUAGXGL-RTBURBONSA-N 1 0 309.409 3.431 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343690 278362662 /nfs/dbraw/zinc/36/26/62/278362662.db2.gz PVTVNYSVNOCKCP-QWHCGFSZSA-N 1 0 312.479 3.199 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)N1CCc2sccc2C1 ZINC000172171552 278378178 /nfs/dbraw/zinc/37/81/78/278378178.db2.gz FQFAHZLGCXKAKX-CHWSQXEVSA-N 1 0 306.475 3.190 10 0 DGAERO C[C@@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)[C@H](C[NH3+])C1 ZINC000261816290 278554474 /nfs/dbraw/zinc/55/44/74/278554474.db2.gz AFTDZGSYXWXYCW-WBMJQRKESA-N 1 0 303.381 3.040 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192650788 278669851 /nfs/dbraw/zinc/66/98/51/278669851.db2.gz FMCRDIFJCHFUEV-GOSISDBHSA-N 1 0 315.461 3.170 10 0 DGAERO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000262594189 278852653 /nfs/dbraw/zinc/85/26/53/278852653.db2.gz WUSPQLBOGMQARX-MPGHIAIKSA-N 1 0 300.446 3.150 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnc(C(C)(C)C)s1 ZINC000068224504 431119343 /nfs/dbraw/zinc/11/93/43/431119343.db2.gz HWMOGLONIDVEMJ-GFCCVEGCSA-N 1 0 311.495 3.147 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183579736 278959405 /nfs/dbraw/zinc/95/94/05/278959405.db2.gz JIFDIRASGRUAJN-HZPDHXFCSA-N 1 0 323.440 3.474 10 0 DGAERO CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000246264086 279007585 /nfs/dbraw/zinc/00/75/85/279007585.db2.gz LHJUEPHOQGXOJF-NWANDNLSSA-N 1 0 300.402 3.470 10 0 DGAERO Cc1csc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000245663888 279044210 /nfs/dbraw/zinc/04/42/10/279044210.db2.gz QIMHLJSNWXLOQO-KGLIPLIRSA-N 1 0 316.430 3.018 10 0 DGAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000472090047 279093374 /nfs/dbraw/zinc/09/33/74/279093374.db2.gz XWUOAGIVNHEGPD-CQSZACIVSA-N 1 0 319.440 3.328 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1csc(-c2ccoc2)n1 ZINC000108261885 431132716 /nfs/dbraw/zinc/13/27/16/431132716.db2.gz WKZKCASSBRWARI-ZDUSSCGKSA-N 1 0 321.446 3.109 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)C1CC[NH2+]CC1 ZINC000068591202 431136451 /nfs/dbraw/zinc/13/64/51/431136451.db2.gz JKZANDMDQIWQAA-QGZVFWFLSA-N 1 0 318.461 3.370 10 0 DGAERO CC(=O)CC[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108375520 431136753 /nfs/dbraw/zinc/13/67/53/431136753.db2.gz VTKLVPZLRSNPDB-UHFFFAOYSA-N 1 0 303.381 3.059 10 0 DGAERO C[C@H](C(=O)N[C@H]1CCCc2c(O)cccc21)[NH+]1CCCCCC1 ZINC000190226057 279232981 /nfs/dbraw/zinc/23/29/81/279232981.db2.gz SMCAMMULPKRIOA-PBHICJAKSA-N 1 0 316.445 3.150 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(c2cccc(F)c2)CCC1 ZINC000177031155 279324388 /nfs/dbraw/zinc/32/43/88/279324388.db2.gz MZTCFIJXJZZTOZ-KRWDZBQOSA-N 1 0 318.436 3.190 10 0 DGAERO Cn1nc(C(F)(F)F)c2c1/C(=C/c1ccc(F)cc1)C[NH2+]C2 ZINC000043464047 279397333 /nfs/dbraw/zinc/39/73/33/279397333.db2.gz IENFTDPBILOPSE-UXBLZVDNSA-N 1 0 311.282 3.222 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(-c3ccccc3)o1)CC2 ZINC000109073055 431169329 /nfs/dbraw/zinc/16/93/29/431169329.db2.gz YTMVVOMQVNJVDS-HNNXBMFYSA-N 1 0 322.412 3.205 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109086208 431169682 /nfs/dbraw/zinc/16/96/82/431169682.db2.gz LCCRUYHEBZSWJV-YUELXQCFSA-N 1 0 322.399 3.059 10 0 DGAERO O=C(NCC[NH+]1CCCCCC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109086000 431170463 /nfs/dbraw/zinc/17/04/63/431170463.db2.gz AZENLZQIJDBSIF-CABCVRRESA-N 1 0 322.399 3.061 10 0 DGAERO c1ccc(CC[NH+]2CCC(CN3CCc4ccccc43)CC2)nc1 ZINC000111307391 431210023 /nfs/dbraw/zinc/21/00/23/431210023.db2.gz VMDLVTGITFZZSB-UHFFFAOYSA-N 1 0 321.468 3.399 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000111398611 431219765 /nfs/dbraw/zinc/21/97/65/431219765.db2.gz HAQVAWNCVRBMEX-WMZOPIPTSA-N 1 0 304.397 3.365 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000282225916 279532935 /nfs/dbraw/zinc/53/29/35/279532935.db2.gz FGNVXNMLNLESDP-RWEMILLDSA-N 1 0 301.217 3.311 10 0 DGAERO CN(CC1CCC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000111807046 431240857 /nfs/dbraw/zinc/24/08/57/431240857.db2.gz VTBDQVIKESDQAA-UHFFFAOYSA-N 1 0 315.461 3.224 10 0 DGAERO Cc1cc(NCC[N@@H+](C)C2CCCC2)nc(-c2ccncc2)n1 ZINC000112080201 431247906 /nfs/dbraw/zinc/24/79/06/431247906.db2.gz RWRAJEQOQCMHDR-UHFFFAOYSA-N 1 0 311.433 3.133 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)Nc1ccccc1SCC(F)(F)F ZINC000070315479 431250340 /nfs/dbraw/zinc/25/03/40/431250340.db2.gz YTFJXSFBOQJJSH-SECBINFHSA-N 1 0 306.353 3.407 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CCCC1 ZINC000070305127 431250643 /nfs/dbraw/zinc/25/06/43/431250643.db2.gz OFXWXFITUYBKGI-ABAIWWIYSA-N 1 0 311.422 3.213 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000070577929 431255592 /nfs/dbraw/zinc/25/55/92/431255592.db2.gz QACWCUDDYCORJB-MNOVXSKESA-N 1 0 300.324 3.470 10 0 DGAERO C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C(C)(C)C ZINC000112461436 431278061 /nfs/dbraw/zinc/27/80/61/431278061.db2.gz DWSDALLRSKGRJF-CQSZACIVSA-N 1 0 321.465 3.320 10 0 DGAERO CCc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC000071790585 431288251 /nfs/dbraw/zinc/28/82/51/431288251.db2.gz HWCYYBUXMLERQY-JKSUJKDBSA-N 1 0 304.434 3.301 10 0 DGAERO CCn1cc(CN2CCC[N@H+](C/C=C/c3ccccc3)CC2)cn1 ZINC000112731350 431300201 /nfs/dbraw/zinc/30/02/01/431300201.db2.gz VGKBFLWOVZSPDT-UXBLZVDNSA-N 1 0 324.472 3.124 10 0 DGAERO Cc1ccc(O)c(C[NH2+]Cc2cccc(Br)c2)n1 ZINC000112716902 431300804 /nfs/dbraw/zinc/30/08/04/431300804.db2.gz OMWPEYWTZBYSDZ-UHFFFAOYSA-N 1 0 307.191 3.148 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000112424009 431273914 /nfs/dbraw/zinc/27/39/14/431273914.db2.gz KQEXNKQYEBDZIM-UONOGXRCSA-N 1 0 307.438 3.246 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000112988954 431324003 /nfs/dbraw/zinc/32/40/03/431324003.db2.gz STKHMQMYOHVKDS-OAHLLOKOSA-N 1 0 318.461 3.108 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000113269192 431337851 /nfs/dbraw/zinc/33/78/51/431337851.db2.gz MTBKNPQVZPDOOY-CXAGYDPISA-N 1 0 315.392 3.149 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000113404927 431344375 /nfs/dbraw/zinc/34/43/75/431344375.db2.gz BFEFFLJQCZDCCF-LSDHHAIUSA-N 1 0 307.438 3.213 10 0 DGAERO Cc1ccc2[nH]cc(CCC(=O)NCC(C)(C)C[NH+](C)C)c2c1 ZINC000072826190 431349596 /nfs/dbraw/zinc/34/95/96/431349596.db2.gz SDXDKMWKKLRSGM-UHFFFAOYSA-N 1 0 315.461 3.113 10 0 DGAERO CCn1c2ccc(F)cc2nc1CN1CC[C@@H]([NH+](CC)CC)C1 ZINC000072834662 431351657 /nfs/dbraw/zinc/35/16/57/431351657.db2.gz WJKHUKICOXZEKC-OAHLLOKOSA-N 1 0 318.440 3.111 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000072943717 431358900 /nfs/dbraw/zinc/35/89/00/431358900.db2.gz JNVFOVNNEPMONN-XYPHTWIQSA-N 1 0 317.433 3.094 10 0 DGAERO COc1ccc(C2([NH2+]Cc3cn4cccnc4n3)CCCC2)cc1 ZINC000113930976 431367303 /nfs/dbraw/zinc/36/73/03/431367303.db2.gz KEWNLOSEBPYCHS-UHFFFAOYSA-N 1 0 322.412 3.297 10 0 DGAERO COc1cc(C[NH2+]CC[C@@H](C)O)ccc1OCc1cccs1 ZINC000114771057 431414875 /nfs/dbraw/zinc/41/48/75/431414875.db2.gz IADVKTHTHBYRCQ-CYBMUJFWSA-N 1 0 321.442 3.196 10 0 DGAERO CC[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000074365978 431415279 /nfs/dbraw/zinc/41/52/79/431415279.db2.gz HXPJUNSKBNDAKE-KGLIPLIRSA-N 1 0 324.494 3.110 10 0 DGAERO CCC(CC)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000074001298 431395525 /nfs/dbraw/zinc/39/55/25/431395525.db2.gz YXZORIXLOWWGMD-JKSUJKDBSA-N 1 0 309.498 3.471 10 0 DGAERO C[NH+]1CCC(CCNC(=O)N2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000114595405 431398508 /nfs/dbraw/zinc/39/85/08/431398508.db2.gz RUMAEAXLHGEODV-IBGZPJMESA-N 1 0 319.493 3.250 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCC(C)(C)CC2)C1 ZINC000074526222 431426518 /nfs/dbraw/zinc/42/65/18/431426518.db2.gz YQQHSMXXRXGELA-OAHLLOKOSA-N 1 0 309.498 3.329 10 0 DGAERO COCC[N@H+](Cc1cn(C)nc1-c1ccccc1F)C(C)C ZINC000012590443 431520220 /nfs/dbraw/zinc/52/02/20/431520220.db2.gz OTEDNKIXLVJDPB-UHFFFAOYSA-N 1 0 305.397 3.083 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)NC3CC[NH+](C(C)C)CC3)cc21 ZINC000116717555 431524330 /nfs/dbraw/zinc/52/43/30/431524330.db2.gz SQNRXCLBJIRSSZ-UHFFFAOYSA-N 1 0 317.408 3.218 10 0 DGAERO C[C@@H](O)C1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000075722175 431494799 /nfs/dbraw/zinc/49/47/99/431494799.db2.gz VVVABKBNLJLUFU-GFCCVEGCSA-N 1 0 317.351 3.221 10 0 DGAERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116293444 431500136 /nfs/dbraw/zinc/50/01/36/431500136.db2.gz PYCYLPGVTYXKNO-MRXNPFEDSA-N 1 0 314.385 3.454 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](CCSc3ccccc3F)C2)cn1 ZINC000116316630 431505228 /nfs/dbraw/zinc/50/52/28/431505228.db2.gz ZNFHYFNISXZRET-ZDUSSCGKSA-N 1 0 305.422 3.141 10 0 DGAERO CC[C@@H](CO)N1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000075961891 431508599 /nfs/dbraw/zinc/50/85/99/431508599.db2.gz ZBHUFLMIPUOUBC-ABHNRTSZSA-N 1 0 310.526 3.227 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@@H+]([C@H](C)c3nnc(C)o3)C2)cc1 ZINC000076390038 431547266 /nfs/dbraw/zinc/54/72/66/431547266.db2.gz NNSFQTKPRMZQGT-YWPYICTPSA-N 1 0 301.390 3.326 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000184922786 280027234 /nfs/dbraw/zinc/02/72/34/280027234.db2.gz DUUXRYDCEAUIHK-KKUMJFAQSA-N 1 0 306.475 3.293 10 0 DGAERO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000076942292 431565774 /nfs/dbraw/zinc/56/57/74/431565774.db2.gz QHOYKNWEJVZQOM-HZSPNIEDSA-N 1 0 320.399 3.298 10 0 DGAERO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000245712158 280098910 /nfs/dbraw/zinc/09/89/10/280098910.db2.gz NQFHYJYCBRGHIU-BRWVUGGUSA-N 1 0 304.478 3.290 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247142896 280262057 /nfs/dbraw/zinc/26/20/57/280262057.db2.gz WKRQRFKSBRFCJF-HIFRSBDPSA-N 1 0 311.429 3.093 10 0 DGAERO C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C[C@H]1CCCO1 ZINC000077277139 431577168 /nfs/dbraw/zinc/57/71/68/431577168.db2.gz FQYPYMZKJXXTPE-CQSZACIVSA-N 1 0 321.808 3.043 10 0 DGAERO Cc1cc(C)c(N2CC[C@H]([NH2+]C3CCSCC3)C2=O)c(C)c1 ZINC000189457204 280387852 /nfs/dbraw/zinc/38/78/52/280387852.db2.gz REHUECVDLBRBGX-INIZCTEOSA-N 1 0 318.486 3.202 10 0 DGAERO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H]3CCCSC3)C2=O)c(C)c1 ZINC000189453659 280388442 /nfs/dbraw/zinc/38/84/42/280388442.db2.gz OENFKNBDRQOFLN-HOTGVXAUSA-N 1 0 318.486 3.202 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000077455820 431597027 /nfs/dbraw/zinc/59/70/27/431597027.db2.gz XKQDQCRBFVKZNW-GOSISDBHSA-N 1 0 301.434 3.149 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262027963 280410004 /nfs/dbraw/zinc/41/00/04/280410004.db2.gz PCWFUGXBBNUHOQ-QBPKDAKJSA-N 1 0 324.509 3.050 10 0 DGAERO C[C@@H](OCCCNC(=O)C[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000077382915 431592259 /nfs/dbraw/zinc/59/22/59/431592259.db2.gz BNZIFGPVVQFFTI-MRXNPFEDSA-N 1 0 318.461 3.145 10 0 DGAERO Fc1ccc(Cl)cc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000119117115 431651142 /nfs/dbraw/zinc/65/11/42/431651142.db2.gz BYZDTWCINVPCHB-AWEZNQCLSA-N 1 0 320.799 3.028 10 0 DGAERO CC(C)(CNC(=O)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000025460931 431656225 /nfs/dbraw/zinc/65/62/25/431656225.db2.gz JMONUDVDVKDPAB-UHFFFAOYSA-N 1 0 322.452 3.182 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025439463 431656988 /nfs/dbraw/zinc/65/69/88/431656988.db2.gz BMWULGYCUBWZSN-QGZVFWFLSA-N 1 0 324.424 3.341 10 0 DGAERO CC[C@H](NC(=O)NC[C@@H](C)[NH+](CC)CC)c1ccc(OC)cc1 ZINC000077687486 431616871 /nfs/dbraw/zinc/61/68/71/431616871.db2.gz HKMAHAAZSBCCHP-PBHICJAKSA-N 1 0 321.465 3.176 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842326 431620371 /nfs/dbraw/zinc/62/03/71/431620371.db2.gz VHOABNZQJBHUEZ-LSDHHAIUSA-N 1 0 314.433 3.071 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000025943939 431669380 /nfs/dbraw/zinc/66/93/80/431669380.db2.gz XHBXABSGHRCMGV-AWEZNQCLSA-N 1 0 317.458 3.348 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1C ZINC000119315050 431676609 /nfs/dbraw/zinc/67/66/09/431676609.db2.gz PVRDEBPRGJUVLR-SUMWQHHRSA-N 1 0 317.433 3.048 10 0 DGAERO CCCC(=O)Nc1cccc(NC(=O)[C@H](CCC)[NH+](C)C)c1C ZINC000119369282 431683241 /nfs/dbraw/zinc/68/32/41/431683241.db2.gz WDISRKQVPYTBLT-INIZCTEOSA-N 1 0 319.449 3.402 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CCCc3occc32)cc2c1OCCO2 ZINC000119377558 431684765 /nfs/dbraw/zinc/68/47/65/431684765.db2.gz JZZMFWZOSCNPMS-CQSZACIVSA-N 1 0 315.369 3.227 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000078595425 431686341 /nfs/dbraw/zinc/68/63/41/431686341.db2.gz YSXQVTDSBDKWEZ-MPGHIAIKSA-N 1 0 318.461 3.144 10 0 DGAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)C(C)C)C2)c1 ZINC000119385964 431686695 /nfs/dbraw/zinc/68/66/95/431686695.db2.gz GYLHFVBYMMPYCB-CABCVRRESA-N 1 0 306.450 3.164 10 0 DGAERO Cc1ccccc1SCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000119524843 431704646 /nfs/dbraw/zinc/70/46/46/431704646.db2.gz VTSXCEIONOUDMP-JKSUJKDBSA-N 1 0 318.486 3.030 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000079495373 431725978 /nfs/dbraw/zinc/72/59/78/431725978.db2.gz FBAVEWWXXHYFAP-RDJZCZTQSA-N 1 0 305.466 3.365 10 0 DGAERO COc1ccc(C[N@H+](C[C@H](O)C(F)(F)F)[C@@H](C)C2CC2)cc1 ZINC000121063256 431739288 /nfs/dbraw/zinc/73/92/88/431739288.db2.gz ZQKVGGOVNOZXFU-NHYWBVRUSA-N 1 0 317.351 3.219 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000079253327 431719234 /nfs/dbraw/zinc/71/92/34/431719234.db2.gz DBDUXEPSCHTTMW-DOTOQJQBSA-N 1 0 303.450 3.263 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000079291576 431719343 /nfs/dbraw/zinc/71/93/43/431719343.db2.gz LVKHRNQRHKOYCS-AWEZNQCLSA-N 1 0 323.868 3.356 10 0 DGAERO CCOc1c(F)cccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000079339569 431723359 /nfs/dbraw/zinc/72/33/59/431723359.db2.gz MIDAESAPCUHNFW-UHFFFAOYSA-N 1 0 310.413 3.073 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000122030524 431810361 /nfs/dbraw/zinc/81/03/61/431810361.db2.gz HUMXTDBAEPNRPV-INIZCTEOSA-N 1 0 323.444 3.288 10 0 DGAERO CC[NH+](CC)CCSCc1ccc(Br)cn1 ZINC000122125523 431814020 /nfs/dbraw/zinc/81/40/20/431814020.db2.gz XJFLVGOAOZHZRU-UHFFFAOYSA-N 1 0 303.269 3.419 10 0 DGAERO CC[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cccs1 ZINC000036932395 431842559 /nfs/dbraw/zinc/84/25/59/431842559.db2.gz AZLCEZBVLLQODT-AWEZNQCLSA-N 1 0 302.447 3.248 10 0 DGAERO CCCC[C@H](CC)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037219383 431844604 /nfs/dbraw/zinc/84/46/04/431844604.db2.gz FMSIVFQDXZABEZ-KBPBESRZSA-N 1 0 312.479 3.201 10 0 DGAERO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000044380783 431873221 /nfs/dbraw/zinc/87/32/21/431873221.db2.gz HLODPTXYJPTKMD-OAHLLOKOSA-N 1 0 321.367 3.145 10 0 DGAERO C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000123002601 431851169 /nfs/dbraw/zinc/85/11/69/431851169.db2.gz XUWDQONJBZJMOQ-ILXRZTDVSA-N 1 0 306.425 3.260 10 0 DGAERO O=C(c1ccc(F)cc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916895 431851465 /nfs/dbraw/zinc/85/14/65/431851465.db2.gz FOJBVZKTZGFBCN-NHYWBVRUSA-N 1 0 310.800 3.083 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@]2(C)CCCc3ccccc32)CC[N@@H+]1C ZINC000123000178 431851662 /nfs/dbraw/zinc/85/16/62/431851662.db2.gz DKFRWVYDAXGWDD-WRWLIDTKSA-N 1 0 314.473 3.222 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)o1 ZINC000037980948 431851993 /nfs/dbraw/zinc/85/19/93/431851993.db2.gz ORRLEEOEBZFAMG-GXTWGEPZSA-N 1 0 309.793 3.332 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1F ZINC000088352455 431857092 /nfs/dbraw/zinc/85/70/92/431857092.db2.gz QRLFWPMNKVDTTG-AWEZNQCLSA-N 1 0 306.425 3.432 10 0 DGAERO CC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000088686648 431858858 /nfs/dbraw/zinc/85/88/58/431858858.db2.gz OXOWHBCLQBDKHE-XIRDDKMYSA-N 1 0 318.461 3.227 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000088785738 431859768 /nfs/dbraw/zinc/85/97/68/431859768.db2.gz JQIFQLDIOZRESC-GRDNDAEWSA-N 1 0 321.440 3.177 10 0 DGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000089162425 431861393 /nfs/dbraw/zinc/86/13/93/431861393.db2.gz AMIHVVUXPAXDBW-WFASDCNBSA-N 1 0 306.406 3.200 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123414063 431864421 /nfs/dbraw/zinc/86/44/21/431864421.db2.gz RTEIQUOCISPGRT-CMPLNLGQSA-N 1 0 317.296 3.425 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccc(F)cc2)CC[N@@H+]1C ZINC000123473790 431866003 /nfs/dbraw/zinc/86/60/03/431866003.db2.gz JHHXGIMJAKLZFN-CZUORRHYSA-N 1 0 306.425 3.044 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089446704 431866249 /nfs/dbraw/zinc/86/62/49/431866249.db2.gz JXEDROQDBZFKTK-CYBMUJFWSA-N 1 0 305.422 3.049 10 0 DGAERO CC[NH2+]Cc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000123501096 431866650 /nfs/dbraw/zinc/86/66/50/431866650.db2.gz FYZFHEDQBPJASL-UGSOOPFHSA-N 1 0 310.397 3.299 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(Cl)s1 ZINC000123517681 431867498 /nfs/dbraw/zinc/86/74/98/431867498.db2.gz WHTQXEUDWAAQBA-NWDGAFQWSA-N 1 0 302.871 3.163 10 0 DGAERO Cc1noc(CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000089518833 431868777 /nfs/dbraw/zinc/86/87/77/431868777.db2.gz HNERJYVOVIIWCS-GOSISDBHSA-N 1 0 307.397 3.494 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1ccc(Cl)s1 ZINC000043595310 431869349 /nfs/dbraw/zinc/86/93/49/431869349.db2.gz NGSJUHYWCQWAKI-MEBBXXQBSA-N 1 0 320.845 3.466 10 0 DGAERO CC[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1nccs1 ZINC000123583725 431869370 /nfs/dbraw/zinc/86/93/70/431869370.db2.gz RGKYXUFIOSSHSM-AWEZNQCLSA-N 1 0 324.494 3.014 10 0 DGAERO COc1c(C[N@H+](C)CCc2ccc(Cl)cc2)c(C)nn1C ZINC000123622700 431869842 /nfs/dbraw/zinc/86/98/42/431869842.db2.gz RHRMSLBYIAOOMS-UHFFFAOYSA-N 1 0 307.825 3.065 10 0 DGAERO Cc1c(C(=O)N2CCC([NH+](C)C)CC2)cccc1-c1ccccn1 ZINC000122389380 431831995 /nfs/dbraw/zinc/83/19/95/431831995.db2.gz ZLKZPLYVIQFYOL-UHFFFAOYSA-N 1 0 323.440 3.223 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCOc2ccccc2)[C@H](C)C1 ZINC000122493851 431834733 /nfs/dbraw/zinc/83/47/33/431834733.db2.gz SURFTCDYKYDRAD-SJLPKXTDSA-N 1 0 318.461 3.034 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C(/C)c2cccc(F)c2)[C@H](C)C1 ZINC000122513531 431836287 /nfs/dbraw/zinc/83/62/87/431836287.db2.gz UXLFMRUDCCNGHP-LBONJMQPSA-N 1 0 318.436 3.418 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccc(C)cc2)[C@H](C)C1 ZINC000122563514 431836960 /nfs/dbraw/zinc/83/69/60/431836960.db2.gz JOUALZGJNBBSTH-NVXWUHKLSA-N 1 0 320.502 3.276 10 0 DGAERO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000085387217 431838780 /nfs/dbraw/zinc/83/87/80/431838780.db2.gz YZQJBVGCMZMRSW-XEZPLFJOSA-N 1 0 323.868 3.383 10 0 DGAERO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Nc1ccccc1 ZINC000047321218 431908498 /nfs/dbraw/zinc/90/84/98/431908498.db2.gz KVMGCXAKIGRIGQ-UHFFFAOYSA-N 1 0 315.392 3.421 10 0 DGAERO COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(C)cc1C ZINC000125319503 431921163 /nfs/dbraw/zinc/92/11/63/431921163.db2.gz RTUOSOQJDNLNDY-ZBFHGGJFSA-N 1 0 314.433 3.227 10 0 DGAERO CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095088496 431921175 /nfs/dbraw/zinc/92/11/75/431921175.db2.gz SHANAXBIXMUZCV-INIZCTEOSA-N 1 0 304.434 3.423 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095088758 431921318 /nfs/dbraw/zinc/92/13/18/431921318.db2.gz DOZGIUGPDMREOR-CYBMUJFWSA-N 1 0 307.438 3.407 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](C)CCOc1c(Cl)cccc1Cl ZINC000048335467 431923852 /nfs/dbraw/zinc/92/38/52/431923852.db2.gz IOZZEXUMQDKMOO-JTQLQIEISA-N 1 0 320.216 3.113 10 0 DGAERO C/C(=C/C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000123786708 431874630 /nfs/dbraw/zinc/87/46/30/431874630.db2.gz SIDLTZKGBMGHLE-FQOIDOLOSA-N 1 0 304.409 3.170 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C1CCCCC1 ZINC000089732477 431875975 /nfs/dbraw/zinc/87/59/75/431875975.db2.gz WPFIUSNTVQHPHA-DLBZAZTESA-N 1 0 302.466 3.394 10 0 DGAERO c1ccc(C[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000089732174 431876000 /nfs/dbraw/zinc/87/60/00/431876000.db2.gz YHWNWBAKPMTYKY-OALUTQOASA-N 1 0 322.456 3.056 10 0 DGAERO c1ccc(C[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000089732175 431876498 /nfs/dbraw/zinc/87/64/98/431876498.db2.gz YHWNWBAKPMTYKY-RBUKOAKNSA-N 1 0 322.456 3.056 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(F)cc(F)c1 ZINC000089733200 431877112 /nfs/dbraw/zinc/87/71/12/431877112.db2.gz NUYGTOVTSDBERB-WBMJQRKESA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]1CCC[C@@](CNC(=O)c2scnc2C2CC2)([NH+](C)C)C1 ZINC000089772946 431878724 /nfs/dbraw/zinc/87/87/24/431878724.db2.gz CNIMPOJMSYAXJS-SJKOYZFVSA-N 1 0 321.490 3.261 10 0 DGAERO CC(C)Cc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124179104 431885172 /nfs/dbraw/zinc/88/51/72/431885172.db2.gz YHDXXRGPNSHVQJ-VQIMIIECSA-N 1 0 316.489 3.369 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000124201796 431886527 /nfs/dbraw/zinc/88/65/27/431886527.db2.gz DQBKACJBJWGXHP-SECBINFHSA-N 1 0 311.351 3.348 10 0 DGAERO Cc1cccc(CSCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124499226 431895304 /nfs/dbraw/zinc/89/53/04/431895304.db2.gz JYHHFXMIWIWZIG-NVXWUHKLSA-N 1 0 320.502 3.169 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1ccccc1Cl ZINC000046280500 431896395 /nfs/dbraw/zinc/89/63/95/431896395.db2.gz SNAYCPNLCNSPFS-CYBMUJFWSA-N 1 0 311.857 3.212 10 0 DGAERO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000090879582 431896753 /nfs/dbraw/zinc/89/67/53/431896753.db2.gz CYSQGICYGPYRCB-HOCLYGCPSA-N 1 0 302.422 3.123 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC000124608604 431899227 /nfs/dbraw/zinc/89/92/27/431899227.db2.gz UIIVYHDFBUFREF-LJQANCHMSA-N 1 0 324.424 3.355 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccsc1 ZINC000090939143 431899236 /nfs/dbraw/zinc/89/92/36/431899236.db2.gz RWJNEMRDHSPOSS-OLZOCXBDSA-N 1 0 313.426 3.197 10 0 DGAERO CCCN(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124635669 431899948 /nfs/dbraw/zinc/89/99/48/431899948.db2.gz HUPSASAKHSNXCH-QAPCUYQASA-N 1 0 317.477 3.088 10 0 DGAERO CCSCc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124655504 431900761 /nfs/dbraw/zinc/90/07/61/431900761.db2.gz ZVTPZBKEWBDZNF-PBHICJAKSA-N 1 0 320.502 3.494 10 0 DGAERO CCN1CC[C@H]([NH2+]Cc2cc[nH]n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091071794 431900995 /nfs/dbraw/zinc/90/09/95/431900995.db2.gz WEPLMBNWNAHIJG-HOTGVXAUSA-N 1 0 322.815 3.127 10 0 DGAERO Cc1ccc([C@@H]([NH2+]CCNC(=O)c2ccccc2)C2CC2)cc1 ZINC000091311042 431904025 /nfs/dbraw/zinc/90/40/25/431904025.db2.gz QSZUQXSJJJKMHB-LJQANCHMSA-N 1 0 308.425 3.466 10 0 DGAERO CN1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091308038 431904315 /nfs/dbraw/zinc/90/43/15/431904315.db2.gz NKOQKJKGYKXXGC-XHDPSFHLSA-N 1 0 309.251 3.120 10 0 DGAERO CC(C)[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000091405729 431904413 /nfs/dbraw/zinc/90/44/13/431904413.db2.gz UETOMFHDDSDQLI-GJZGRUSLSA-N 1 0 318.244 3.432 10 0 DGAERO Cc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000124824355 431906092 /nfs/dbraw/zinc/90/60/92/431906092.db2.gz YJZXQDPZQJFRDC-UHFFFAOYSA-N 1 0 324.428 3.308 10 0 DGAERO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000124872131 431906876 /nfs/dbraw/zinc/90/68/76/431906876.db2.gz NPNYGFNXWZGHEZ-QLFBSQMISA-N 1 0 310.482 3.006 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cc(Br)ccc1F ZINC000127376270 431971061 /nfs/dbraw/zinc/97/10/61/431971061.db2.gz DYXRNRSJZIYQLY-IGJMFERPSA-N 1 0 302.187 3.416 10 0 DGAERO Cn1ccnc1[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000127530596 431975344 /nfs/dbraw/zinc/97/53/44/431975344.db2.gz WGNZAFQEILREEY-LJQANCHMSA-N 1 0 324.472 3.257 10 0 DGAERO CCCCOC/C=C\C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000095934577 431927215 /nfs/dbraw/zinc/92/72/15/431927215.db2.gz AOFYPHFJDWPVMY-FPLPWBNLSA-N 1 0 303.446 3.343 10 0 DGAERO Cc1cc2cc([C@@H](C)[NH2+]C[C@@]3(CCO)CCOC3)oc2cc1C ZINC000125516270 431928167 /nfs/dbraw/zinc/92/81/67/431928167.db2.gz CCRXTAJNTFBMLK-DNVCBOLYSA-N 1 0 317.429 3.489 10 0 DGAERO CC(C)[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000125773000 431935630 /nfs/dbraw/zinc/93/56/30/431935630.db2.gz XHIGQMRFCIFDHN-SNVBAGLBSA-N 1 0 307.747 3.331 10 0 DGAERO Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)sc1C ZINC000049074497 431936228 /nfs/dbraw/zinc/93/62/28/431936228.db2.gz FIDLYTPKCGSFQK-UHFFFAOYSA-N 1 0 306.475 3.313 10 0 DGAERO Clc1cccc(Cl)c1OCCN1CC[NH+](C2CC2)CC1 ZINC000126060576 431940719 /nfs/dbraw/zinc/94/07/19/431940719.db2.gz DCFWLFVUXSKBBC-UHFFFAOYSA-N 1 0 315.244 3.152 10 0 DGAERO Cc1sc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)nc(N)c2c1C ZINC000049933637 431944745 /nfs/dbraw/zinc/94/47/45/431944745.db2.gz XWJDSXOXRYEGCA-AOOOYVTPSA-N 1 0 304.463 3.368 10 0 DGAERO Cc1cc(C)nc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000126447624 431950650 /nfs/dbraw/zinc/95/06/50/431950650.db2.gz VMADWGSHCOSJTG-CVEARBPZSA-N 1 0 316.449 3.177 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(c3ccccc3)CC2)C1 ZINC000052592480 431956704 /nfs/dbraw/zinc/95/67/04/431956704.db2.gz JAAZWPSGPRWYHP-GOSISDBHSA-N 1 0 315.461 3.060 10 0 DGAERO OCCC[C@H]1CCC[N@@H+]1Cc1sccc1Br ZINC000052762377 431958172 /nfs/dbraw/zinc/95/81/72/431958172.db2.gz HCNQRZXCSSHYKS-SNVBAGLBSA-N 1 0 304.253 3.248 10 0 DGAERO OCCC[C@H]1CCC[N@@H+]1Cc1csc(Br)c1 ZINC000052762675 431958546 /nfs/dbraw/zinc/95/85/46/431958546.db2.gz POHAPEPCEYRLPY-LLVKDONJSA-N 1 0 304.253 3.248 10 0 DGAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3cc(Br)cs3)no2)C1 ZINC000097068433 431959433 /nfs/dbraw/zinc/95/94/33/431959433.db2.gz GXLCEZUFESGPTD-POYBYMJQSA-N 1 0 314.208 3.155 10 0 DGAERO C[C@H]([NH2+]CCC[S@](C)=O)[C@H](C)c1nc2ccccc2s1 ZINC000126888725 431959817 /nfs/dbraw/zinc/95/98/17/431959817.db2.gz OEHYYMWBRYCUDT-JOOBJXAISA-N 1 0 310.488 3.147 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)cc1Cl)[C@H](C)CO ZINC000126941668 431961647 /nfs/dbraw/zinc/96/16/47/431961647.db2.gz MOAHFWXKCJAPLU-RKDXNWHRSA-N 1 0 306.631 3.209 10 0 DGAERO Cc1ccc(OCC[N@H+](C)CCCOCC(F)(F)F)cc1 ZINC000053604653 431964305 /nfs/dbraw/zinc/96/43/05/431964305.db2.gz GIYYUBPCEMZJGL-UHFFFAOYSA-N 1 0 305.340 3.275 10 0 DGAERO C[C@@H](NC(=O)C[N@H+](C)CCc1ccc(F)cc1)c1cccs1 ZINC000097268591 431967047 /nfs/dbraw/zinc/96/70/47/431967047.db2.gz JTIZZBTWBBBBIT-CYBMUJFWSA-N 1 0 320.433 3.239 10 0 DGAERO CCNC(=O)[C@H]1C[C@@](F)(c2ccc(C[NH+]3CCCC3)c(F)c2)C1 ZINC000100001877 431980721 /nfs/dbraw/zinc/98/07/21/431980721.db2.gz SXMBKHYDZOCBMT-PPUGGXLSSA-N 1 0 322.399 3.132 10 0 investigational DGAERO Cc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1Br ZINC000127360984 431969612 /nfs/dbraw/zinc/96/96/12/431969612.db2.gz FADLWITZRBFMKM-AWEZNQCLSA-N 1 0 312.251 3.494 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307400 431970070 /nfs/dbraw/zinc/97/00/70/431970070.db2.gz OELQDMDPBKTJBL-LLVKDONJSA-N 1 0 311.223 3.086 10 0 DGAERO CC[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[C@H]1c1ccccc1 ZINC000261631136 281141355 /nfs/dbraw/zinc/14/13/55/281141355.db2.gz BURPDNXMICDIGN-JCHJZTRSSA-N 1 0 314.473 3.404 10 0 DGAERO CCc1nc2sccc2c(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)n1 ZINC000128046191 431986313 /nfs/dbraw/zinc/98/63/13/431986313.db2.gz LCIJIUMWEXHUNG-STQMWFEESA-N 1 0 316.474 3.317 10 0 DGAERO CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000261874674 281202072 /nfs/dbraw/zinc/20/20/72/281202072.db2.gz OLFYHSZUOPPPQQ-NFAWXSAZSA-N 1 0 306.837 3.029 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNCc1ccc(Br)s1 ZINC000128222046 431989707 /nfs/dbraw/zinc/98/97/07/431989707.db2.gz ZJOSDXGINHZAMI-JTQLQIEISA-N 1 0 305.285 3.331 10 0 DGAERO O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000056940091 431989803 /nfs/dbraw/zinc/98/98/03/431989803.db2.gz BFGVRUIPWAZRDO-MRXNPFEDSA-N 1 0 321.852 3.112 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc4c3OC(C)(C)C4)C2)cn1 ZINC000128424917 431993481 /nfs/dbraw/zinc/99/34/81/431993481.db2.gz YNVHDRAOEXDGEI-HNNXBMFYSA-N 1 0 311.429 3.123 10 0 DGAERO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187856248 281349986 /nfs/dbraw/zinc/34/99/86/281349986.db2.gz QKIWADSRCYZOKZ-GJZGRUSLSA-N 1 0 304.434 3.259 10 0 DGAERO CCc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000107527902 281394949 /nfs/dbraw/zinc/39/49/49/281394949.db2.gz VEZJLOQBXHHPDB-SFHVURJKSA-N 1 0 300.446 3.340 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(C(F)F)c3)CC[C@H]21 ZINC000248134590 432269809 /nfs/dbraw/zinc/26/98/09/432269809.db2.gz OXCWMWMTJNIKKV-LSDHHAIUSA-N 1 0 308.372 3.181 10 0 DGAERO CSc1ccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000248166536 432272214 /nfs/dbraw/zinc/27/22/14/432272214.db2.gz TVHVTTCQHHRATG-YJBOKZPZSA-N 1 0 321.486 3.414 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCCC2(CCCCC2)C1 ZINC000183568830 432303244 /nfs/dbraw/zinc/30/32/44/432303244.db2.gz BHLCSKMDSKVTMN-UHFFFAOYSA-N 1 0 301.434 3.334 10 0 DGAERO CCC(C)(C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000151789520 432276289 /nfs/dbraw/zinc/27/62/89/432276289.db2.gz DCXIOLUPHPYZQM-UHFFFAOYSA-N 1 0 302.462 3.332 10 0 DGAERO CCOC(=O)c1csc(C2CC[NH+](CC=C(C)C)CC2)n1 ZINC000191565410 432276952 /nfs/dbraw/zinc/27/69/52/432276952.db2.gz WWLIVMFFRWNRBZ-UHFFFAOYSA-N 1 0 308.447 3.465 10 0 DGAERO C[N@@H+]1CC[C@@H](CNc2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270706705 432279510 /nfs/dbraw/zinc/27/95/10/432279510.db2.gz KAPGTVQXSLGTBN-BLLLJJGKSA-N 1 0 320.799 3.374 10 0 DGAERO C[C@H]1C[C@H](C(=O)NC2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC000183316796 432281462 /nfs/dbraw/zinc/28/14/62/432281462.db2.gz YUUSREPFONMTQD-HOCLYGCPSA-N 1 0 306.494 3.439 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000173508349 432282114 /nfs/dbraw/zinc/28/21/14/432282114.db2.gz XFNNKZXQBNTKFE-MRXNPFEDSA-N 1 0 319.449 3.248 10 0 DGAERO COC[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000191630365 432285440 /nfs/dbraw/zinc/28/54/40/432285440.db2.gz JYNIQELTCGELNE-GHMZBOCLSA-N 1 0 316.239 3.391 10 0 DGAERO Cc1cc2ncn(C[C@@H](O)Cn3ccnc3C(C)C)c2cc1C ZINC000151892077 432287115 /nfs/dbraw/zinc/28/71/15/432287115.db2.gz CAMFMTIMWFXXLH-HNNXBMFYSA-N 1 0 312.417 3.034 10 0 DGAERO Cc1cc2ncn(C[C@H](O)Cn3ccnc3C(C)C)c2cc1C ZINC000151891981 432287167 /nfs/dbraw/zinc/28/71/67/432287167.db2.gz CAMFMTIMWFXXLH-OAHLLOKOSA-N 1 0 312.417 3.034 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000191691399 432291480 /nfs/dbraw/zinc/29/14/80/432291480.db2.gz JKFPVVUOLMRGIO-AWEZNQCLSA-N 1 0 321.469 3.050 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)[C@H](C)CO ZINC000191696359 432291637 /nfs/dbraw/zinc/29/16/37/432291637.db2.gz VLYTUXWZBQXFPD-RNFRBKRXSA-N 1 0 312.660 3.271 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000248447018 432293031 /nfs/dbraw/zinc/29/30/31/432293031.db2.gz NEKVVHLFJSHSAK-IAOMBJDPSA-N 1 0 302.418 3.109 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCc3ccc(C)cc3)[C@@H]2C1 ZINC000248464855 432295253 /nfs/dbraw/zinc/29/52/53/432295253.db2.gz RFNVLKONWTWVBH-GUDVDZBRSA-N 1 0 303.446 3.196 10 0 DGAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000248474018 432295806 /nfs/dbraw/zinc/29/58/06/432295806.db2.gz WYNXKKPMNVFGDP-LSDHHAIUSA-N 1 0 323.433 3.289 10 0 DGAERO Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000191762189 432299630 /nfs/dbraw/zinc/29/96/30/432299630.db2.gz LLYZBIBYXDEGCN-GOSISDBHSA-N 1 0 312.388 3.025 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000191756957 432299700 /nfs/dbraw/zinc/29/97/00/432299700.db2.gz UCFRJXPWLRQMJZ-TVQRCGJNSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](CCc3ccc(F)c(F)c3)C2)c1 ZINC000152061986 432301385 /nfs/dbraw/zinc/30/13/85/432301385.db2.gz XLPNVOYMJZRUFX-HNNXBMFYSA-N 1 0 305.372 3.349 10 0 DGAERO CSc1cccc(C)c1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248575234 432302602 /nfs/dbraw/zinc/30/26/02/432302602.db2.gz OTZNRPMMNPCKIT-ZIAGYGMSSA-N 1 0 319.474 3.417 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCCCc2ccccc2)C1 ZINC000057870345 431993622 /nfs/dbraw/zinc/99/36/22/431993622.db2.gz LHPNTDMSBZQMFE-SFHVURJKSA-N 1 0 317.477 3.135 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000057793318 431993880 /nfs/dbraw/zinc/99/38/80/431993880.db2.gz FRZRWXFMAXNOAO-WFASDCNBSA-N 1 0 309.841 3.185 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000102683572 431997143 /nfs/dbraw/zinc/99/71/43/431997143.db2.gz UZQPOIINAVGCSX-LBPRGKRZSA-N 1 0 303.793 3.333 10 0 DGAERO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000128697512 431999555 /nfs/dbraw/zinc/99/95/55/431999555.db2.gz ZEVXVCOFUYVSEE-LJQANCHMSA-N 1 0 322.408 3.457 10 0 DGAERO Cc1cc([C@H]2CN(CC[NH+]3CCC(C)CC3)CCO2)ccc1F ZINC000128836505 432001648 /nfs/dbraw/zinc/00/16/48/432001648.db2.gz LLFWNMBRVXDWJD-LJQANCHMSA-N 1 0 320.452 3.239 10 0 DGAERO c1cn(CCC[NH2+][C@H](Cc2ccccc2)c2ccccc2)nn1 ZINC000183146807 432263506 /nfs/dbraw/zinc/26/35/06/432263506.db2.gz UXRDVTDWKVSYBK-LJQANCHMSA-N 1 0 306.413 3.242 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(O)c1)c1ccccc1 ZINC000191425313 432263778 /nfs/dbraw/zinc/26/37/78/432263778.db2.gz JDEKPWHABOOQKK-KFWWJZLASA-N 1 0 312.413 3.309 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000248026615 432264097 /nfs/dbraw/zinc/26/40/97/432264097.db2.gz PFRPCSKZZOSFFA-SUMWQHHRSA-N 1 0 302.374 3.062 10 0 DGAERO CCc1ccsc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248081244 432266914 /nfs/dbraw/zinc/26/69/14/432266914.db2.gz RWNKNCIIZPNAGR-HOTGVXAUSA-N 1 0 314.454 3.486 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(Cl)c1 ZINC000173287740 432268222 /nfs/dbraw/zinc/26/82/22/432268222.db2.gz GHMWPKNYEHHMLF-JKSUJKDBSA-N 1 0 321.852 3.108 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)n1 ZINC000248753324 432316119 /nfs/dbraw/zinc/31/61/19/432316119.db2.gz HLQPHDCZAUDRAL-CABCVRRESA-N 1 0 310.463 3.174 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)n1 ZINC000248753328 432316561 /nfs/dbraw/zinc/31/65/61/432316561.db2.gz HLQPHDCZAUDRAL-GJZGRUSLSA-N 1 0 310.463 3.174 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000248773456 432317866 /nfs/dbraw/zinc/31/78/66/432317866.db2.gz HKSYFEVTLBFVJW-XYJFISCASA-N 1 0 317.429 3.456 10 0 DGAERO O=C1O[C@@H](C[N@@H+]2CCSC[C@@H]2c2ccccc2)CC12CCC2 ZINC000248817233 432319728 /nfs/dbraw/zinc/31/97/28/432319728.db2.gz DTYTYSYWCXBSEC-HZPDHXFCSA-N 1 0 317.454 3.262 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)C2)n1 ZINC000248819884 432320652 /nfs/dbraw/zinc/32/06/52/432320652.db2.gz FJHXXFZTWNGTRX-ZIAGYGMSSA-N 1 0 320.458 3.117 10 0 DGAERO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248836323 432322387 /nfs/dbraw/zinc/32/23/87/432322387.db2.gz JZTVJSAAAWUQDZ-FRFSOERESA-N 1 0 317.404 3.489 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC[C@H]2CCCO2)c1 ZINC000248866398 432325635 /nfs/dbraw/zinc/32/56/35/432325635.db2.gz BARYKAXAQRXSDO-RHSMWYFYSA-N 1 0 305.418 3.410 10 0 DGAERO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000248877858 432325711 /nfs/dbraw/zinc/32/57/11/432325711.db2.gz JWZYAFLKHAGCSN-NVXWUHKLSA-N 1 0 303.377 3.413 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000248893625 432327570 /nfs/dbraw/zinc/32/75/70/432327570.db2.gz SRCULRANRLEXKU-FUHWJXTLSA-N 1 0 318.509 3.088 10 0 DGAERO CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@H]2c3ccccc3NC2=O)C1(C)C ZINC000248887927 432327922 /nfs/dbraw/zinc/32/79/22/432327922.db2.gz SIOOYPCPGFTDJH-BHYGNILZSA-N 1 0 316.445 3.294 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)c(F)c1 ZINC000174197858 432328672 /nfs/dbraw/zinc/32/86/72/432328672.db2.gz FCWHSHKDMSIVGU-OCCSQVGLSA-N 1 0 320.387 3.018 10 0 DGAERO CCNc1ccc(Cl)cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000174536969 432355863 /nfs/dbraw/zinc/35/58/63/432355863.db2.gz ZFKMXFGPLPVWGM-CQSZACIVSA-N 1 0 323.868 3.328 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](SC)C2)C12CCOCC2 ZINC000248985062 432332904 /nfs/dbraw/zinc/33/29/04/432332904.db2.gz JUBQFSSANAZBPX-YHUYYLMFSA-N 1 0 313.507 3.224 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(OC)c2)C12CCOCC2 ZINC000249029073 432334962 /nfs/dbraw/zinc/33/49/62/432334962.db2.gz SDOBQCUJYONGLW-ZTFGCOKTSA-N 1 0 319.445 3.320 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1nc(-c2ccccc2)cs1 ZINC000152483441 432336193 /nfs/dbraw/zinc/33/61/93/432336193.db2.gz UNIKZQDOLQWMJC-GXTWGEPZSA-N 1 0 315.442 3.082 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1C ZINC000249269011 432343373 /nfs/dbraw/zinc/34/33/73/432343373.db2.gz ZVQAZIHCUQINJT-MLGOLLRUSA-N 1 0 303.381 3.073 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C2Cc3ccccc3C2)cc1NC(C)=O ZINC000184006282 432343509 /nfs/dbraw/zinc/34/35/09/432343509.db2.gz RHEQDRHGLCGESD-CYBMUJFWSA-N 1 0 324.424 3.472 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](C)Cc3ccccc3)[C@@H]2C1 ZINC000249484787 432348012 /nfs/dbraw/zinc/34/80/12/432348012.db2.gz XUEKMJVFIODBHE-AITUJVMLSA-N 1 0 303.446 3.134 10 0 DGAERO CN1CC[C@H]([NH2+]Cc2ccc(F)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000249460604 432348185 /nfs/dbraw/zinc/34/81/85/432348185.db2.gz OUJWCRXPZDJLTN-DOTOQJQBSA-N 1 0 319.811 3.409 10 0 DGAERO CC1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)OCCCO1 ZINC000192253203 432349790 /nfs/dbraw/zinc/34/97/90/432349790.db2.gz MHVYWRBMVQMYQC-UHFFFAOYSA-N 1 0 321.751 3.184 10 0 DGAERO Cc1nc(C)c(C[N@@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)s1 ZINC000249577154 432351542 /nfs/dbraw/zinc/35/15/42/432351542.db2.gz PUVJHMRGWOFOLG-ZIAGYGMSSA-N 1 0 308.472 3.029 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000174495442 432352003 /nfs/dbraw/zinc/35/20/03/432352003.db2.gz MUUOYBBUUHHOTP-UONOGXRCSA-N 1 0 322.424 3.276 10 0 DGAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000249649791 432353980 /nfs/dbraw/zinc/35/39/80/432353980.db2.gz UQJADICRKRZBHG-COXVUDFISA-N 1 0 304.409 3.095 10 0 DGAERO CC(C)(O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000248592080 432304839 /nfs/dbraw/zinc/30/48/39/432304839.db2.gz ZYXUGNKJEYDZDS-GVDBMIGSSA-N 1 0 303.446 3.207 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN(C)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000183589234 432306221 /nfs/dbraw/zinc/30/62/21/432306221.db2.gz MQNRHYGNJGWRTP-LLVKDONJSA-N 1 0 321.412 3.244 10 0 DGAERO C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1c1ccccc1 ZINC000183587220 432307183 /nfs/dbraw/zinc/30/71/83/432307183.db2.gz FCIMYBVQXXPFDB-RDJZCZTQSA-N 1 0 323.440 3.413 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCSC2(CCCCC2)C1 ZINC000183601693 432308473 /nfs/dbraw/zinc/30/84/73/432308473.db2.gz XWLBMNDCMXNLQR-UHFFFAOYSA-N 1 0 319.474 3.040 10 0 DGAERO CC1(C)CCC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000191862948 432309362 /nfs/dbraw/zinc/30/93/62/432309362.db2.gz QAKKARUUGVCKBW-GFCCVEGCSA-N 1 0 317.458 3.142 10 0 DGAERO CC(C)CCc1noc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000173944671 432309995 /nfs/dbraw/zinc/30/99/95/432309995.db2.gz DUHZYSWBZBHFHB-CVEARBPZSA-N 1 0 320.481 3.105 10 0 DGAERO COCc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000248639822 432310437 /nfs/dbraw/zinc/31/04/37/432310437.db2.gz XTMFBCGGIJIBRB-IAGOWNOFSA-N 1 0 319.376 3.436 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2CCCC3(CC3)C2)[C@H]1c1ccccc1 ZINC000248684139 432311387 /nfs/dbraw/zinc/31/13/87/432311387.db2.gz GQIHYVZRXAQSER-DLBZAZTESA-N 1 0 313.445 3.017 10 0 DGAERO CCCC[C@@H](CC)C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000183640788 432311382 /nfs/dbraw/zinc/31/13/82/432311382.db2.gz PMELJYOIOSTPPL-MOPGFXCFSA-N 1 0 309.542 3.305 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(Cl)c2)[C@@H](C)C1 ZINC000248683227 432311786 /nfs/dbraw/zinc/31/17/86/432311786.db2.gz FHKXXAFIVCPZHS-JQWIXIFHSA-N 1 0 300.855 3.204 10 0 DGAERO CCn1cc([C@H]2CN([C@H](C)c3cccc(F)c3)CCO2)cn1 ZINC000248691798 432312665 /nfs/dbraw/zinc/31/26/65/432312665.db2.gz AMBJQXRIBAZDGQ-CXAGYDPISA-N 1 0 303.381 3.177 10 0 DGAERO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1nnc(C)n1CC ZINC000173994087 432312823 /nfs/dbraw/zinc/31/28/23/432312823.db2.gz YSVKKPVWLXJYDN-KRWDZBQOSA-N 1 0 300.450 3.368 10 0 DGAERO Cn1c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)cc2sc1=O ZINC000248713987 432313382 /nfs/dbraw/zinc/31/33/82/432313382.db2.gz DIUJOFUAOQCIIG-ZIAGYGMSSA-N 1 0 302.443 3.365 10 0 DGAERO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000174012272 432313475 /nfs/dbraw/zinc/31/34/75/432313475.db2.gz XVZDISUXQPEAPW-NWDGAFQWSA-N 1 0 312.360 3.347 10 0 DGAERO COC(=O)C1CCC([NH2+][C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000192438075 432373516 /nfs/dbraw/zinc/37/35/16/432373516.db2.gz XRLXVFFUVQYHPA-HSBZDZAISA-N 1 0 321.417 3.086 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000174866679 432375213 /nfs/dbraw/zinc/37/52/13/432375213.db2.gz ZXRQWKZEHGOAON-LJQANCHMSA-N 1 0 304.478 3.456 10 0 DGAERO CCc1nnc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CC)C2)n1C ZINC000174886422 432375978 /nfs/dbraw/zinc/37/59/78/432375978.db2.gz HKYDXFBBIKPKKX-WBVHZDCISA-N 1 0 312.461 3.393 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc2ccccc12 ZINC000252443602 432376129 /nfs/dbraw/zinc/37/61/29/432376129.db2.gz DAVSNIUPVJBJHN-STQMWFEESA-N 1 0 300.427 3.210 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000184311234 432378041 /nfs/dbraw/zinc/37/80/41/432378041.db2.gz FGSMZXBBNYHROW-SJORKVTESA-N 1 0 318.486 3.466 10 0 DGAERO Cc1cncc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000184312802 432379072 /nfs/dbraw/zinc/37/90/72/432379072.db2.gz PPGRWAHJNDRNHA-INIZCTEOSA-N 1 0 323.440 3.345 10 0 DGAERO Cc1nnc([C@H](N[C@H](C)c2cncc(C)c2)c2ccccc2)[nH]1 ZINC000184339915 432380797 /nfs/dbraw/zinc/38/07/97/432380797.db2.gz MLRBLZQYWDJZOM-CXAGYDPISA-N 1 0 307.401 3.257 10 0 DGAERO CC(C)CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C(C)(C)C ZINC000174997714 432386684 /nfs/dbraw/zinc/38/66/84/432386684.db2.gz QYUCSJIEZZVYKG-IAGOWNOFSA-N 1 0 321.509 3.493 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000175008860 432388499 /nfs/dbraw/zinc/38/84/99/432388499.db2.gz MSVVEPAVNJAGRI-QWHCGFSZSA-N 1 0 315.392 3.006 10 0 DGAERO CSCCC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000192580394 432389458 /nfs/dbraw/zinc/38/94/58/432389458.db2.gz CUZSDKNJBBGAEJ-LLVKDONJSA-N 1 0 313.492 3.067 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2ccccc2)C1 ZINC000192603190 432391721 /nfs/dbraw/zinc/39/17/21/432391721.db2.gz LNYHMQCLAHPNNP-CALCHBBNSA-N 1 0 302.462 3.103 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(F)cccc1Cl ZINC000175041395 432391808 /nfs/dbraw/zinc/39/18/08/432391808.db2.gz MZQLRFDKZXSEPC-CHWSQXEVSA-N 1 0 324.827 3.107 10 0 DGAERO Cc1cc(NC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)ccn1 ZINC000175086187 432396365 /nfs/dbraw/zinc/39/63/65/432396365.db2.gz XTVASIDCDCVYRP-QWHCGFSZSA-N 1 0 319.405 3.022 10 0 DGAERO CO[C@@H](C)c1noc(CN(Cc2ccco2)C2CCCC2)n1 ZINC000175104771 432397232 /nfs/dbraw/zinc/39/72/32/432397232.db2.gz FINIPESXIVMDMD-LBPRGKRZSA-N 1 0 305.378 3.315 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)Cc1ccccc1F ZINC000253549591 432399671 /nfs/dbraw/zinc/39/96/71/432399671.db2.gz UBNFWLQNIPOAKT-DJIMGWMZSA-N 1 0 318.436 3.090 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000184529836 432401262 /nfs/dbraw/zinc/40/12/62/432401262.db2.gz ODLDULALDYLRLR-DOMZBBRYSA-N 1 0 312.404 3.366 10 0 DGAERO CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccnn2C)cc1OC ZINC000192701379 432401355 /nfs/dbraw/zinc/40/13/55/432401355.db2.gz YIYLWZBYEHFAHG-NSHDSACASA-N 1 0 323.824 3.332 10 0 DGAERO CN(C)c1noc(CN2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000192692453 432402102 /nfs/dbraw/zinc/40/21/02/432402102.db2.gz MUHDQMLXQLWGPG-ZDUSSCGKSA-N 1 0 306.797 3.126 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000175157664 432404066 /nfs/dbraw/zinc/40/40/66/432404066.db2.gz XEQHIDSDZNMNJF-JQWIXIFHSA-N 1 0 313.804 3.426 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1nccs1 ZINC000153414973 432405809 /nfs/dbraw/zinc/40/58/09/432405809.db2.gz WVIKURNPRVLDNO-YCPHGPKFSA-N 1 0 316.474 3.099 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000249763960 432356297 /nfs/dbraw/zinc/35/62/97/432356297.db2.gz HRONSTFIHWHMBZ-NFAWXSAZSA-N 1 0 307.438 3.069 10 0 DGAERO Cc1ccc2cc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)ccc2n1 ZINC000249773966 432357783 /nfs/dbraw/zinc/35/77/83/432357783.db2.gz JZQIVNYWGZCVEP-QZTJIDSGSA-N 1 0 314.454 3.250 10 0 DGAERO CCc1csc([C@H]2CCC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C2)n1 ZINC000249875643 432359498 /nfs/dbraw/zinc/35/94/98/432359498.db2.gz LPHACVJVGYMGER-OLZOCXBDSA-N 1 0 323.506 3.188 10 0 DGAERO CC[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc(F)cc1 ZINC000184141523 432360002 /nfs/dbraw/zinc/36/00/02/432360002.db2.gz PZFBNHWERIBYNG-KRWDZBQOSA-N 1 0 304.409 3.016 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCCSCC(C)C)C2)n1 ZINC000152849380 432361156 /nfs/dbraw/zinc/36/11/56/432361156.db2.gz UXNZBKQTCHCRFK-KRWDZBQOSA-N 1 0 324.538 3.386 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCCOCC(F)(F)F)ccc1F ZINC000152857046 432361240 /nfs/dbraw/zinc/36/12/40/432361240.db2.gz HDCFHUHSEJCJDE-SNVBAGLBSA-N 1 0 309.303 3.454 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N3CCCCC3)C2)n1 ZINC000249912481 432362581 /nfs/dbraw/zinc/36/25/81/432362581.db2.gz WIXQMEBKGFPJBS-CABCVRRESA-N 1 0 321.490 3.032 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)[C@H]1CCCO1 ZINC000250132116 432365020 /nfs/dbraw/zinc/36/50/20/432365020.db2.gz XGXRLFMQASLZRI-VDDIYKPWSA-N 1 0 317.202 3.201 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C(F)F)cc2)C[N@@H+]1C1CC1 ZINC000184226454 432368013 /nfs/dbraw/zinc/36/80/13/432368013.db2.gz VYIYKHDFPBRYFJ-BXUZGUMPSA-N 1 0 323.387 3.049 10 0 DGAERO CC(C)c1cnc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000192395229 432369498 /nfs/dbraw/zinc/36/94/98/432369498.db2.gz JXOJDTVEEPJBMG-VXGBXAGGSA-N 1 0 310.467 3.213 10 0 DGAERO C[C@H](c1cc(Cl)ccc1Cl)N1CCO[C@H](C[NH+](C)C)C1 ZINC000152943330 432370049 /nfs/dbraw/zinc/37/00/49/432370049.db2.gz DJQABZMZDJQTAL-DGCLKSJQSA-N 1 0 317.260 3.317 10 0 DGAERO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000152943208 432370278 /nfs/dbraw/zinc/37/02/78/432370278.db2.gz LHJUEPHOQGXOJF-CFVMTHIKSA-N 1 0 300.402 3.470 10 0 DGAERO Cc1cc(C)cc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000174788595 432370666 /nfs/dbraw/zinc/37/06/66/432370666.db2.gz NYVPKLBDXROAFC-SJLPKXTDSA-N 1 0 313.445 3.020 10 0 DGAERO CN(Cc1ccc(OCc2ccccc2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000261557011 432430029 /nfs/dbraw/zinc/43/00/29/432430029.db2.gz WQLBPYZQRLDSPC-FQEVSTJZSA-N 1 0 310.441 3.435 10 0 DGAERO CC(C)c1nc([C@@H]2CCCN2CC[NH+]2CCC(C)CC2)no1 ZINC000153657456 432430245 /nfs/dbraw/zinc/43/02/45/432430245.db2.gz WQPYMCYPTFGMQS-HNNXBMFYSA-N 1 0 306.454 3.062 10 0 DGAERO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnn1C ZINC000192936240 432431083 /nfs/dbraw/zinc/43/10/83/432431083.db2.gz GWOGGHMJUAIGDB-XYJFISCASA-N 1 0 312.461 3.124 10 0 DGAERO C/C=C/c1ccc(OCc2nc(C3([NH3+])CCC3)no2)c(OC)c1 ZINC000261606820 432432583 /nfs/dbraw/zinc/43/25/83/432432583.db2.gz AHVYRLHIPQPLQQ-HWKANZROSA-N 1 0 315.373 3.028 10 0 DGAERO CCCn1cc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cn1 ZINC000184788705 432433934 /nfs/dbraw/zinc/43/39/34/432433934.db2.gz OZFBKIGSGABPQU-LJQANCHMSA-N 1 0 313.445 3.066 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cccc2ccccc21 ZINC000261628782 432434801 /nfs/dbraw/zinc/43/48/01/432434801.db2.gz JCODLYLERVMBSW-JOUKPKRSSA-N 1 0 308.425 3.476 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000192978706 432435800 /nfs/dbraw/zinc/43/58/00/432435800.db2.gz DKYXYWLYESQDOX-KBPBESRZSA-N 1 0 318.442 3.054 10 0 DGAERO C[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccsc1 ZINC000261629977 432436529 /nfs/dbraw/zinc/43/65/29/432436529.db2.gz AYOAAERWDVOAPX-SNVBAGLBSA-N 1 0 304.390 3.275 10 0 DGAERO O=C(C[C@H]1CCCc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000261642926 432436569 /nfs/dbraw/zinc/43/65/69/432436569.db2.gz AUZPBTSMTSJNTA-QGZVFWFLSA-N 1 0 312.457 3.099 10 0 DGAERO CN(C)c1noc(C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000193009540 432438546 /nfs/dbraw/zinc/43/85/46/432438546.db2.gz NRQVDAVAVLLIOI-HOTGVXAUSA-N 1 0 314.433 3.027 10 0 DGAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000261685495 432440435 /nfs/dbraw/zinc/44/04/35/432440435.db2.gz CCDIGRYZULMRQF-KGLIPLIRSA-N 1 0 306.409 3.067 10 0 DGAERO O=C(NC1CCCCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193034306 432442227 /nfs/dbraw/zinc/44/22/27/432442227.db2.gz CVWJDHJWLRDGAF-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO [NH3+]C1(c2noc([C@@H]3C[C@@H]3c3ccc(F)c(F)c3)n2)CCCC1 ZINC000261694660 432442513 /nfs/dbraw/zinc/44/25/13/432442513.db2.gz HRKQHVQVFPGYTA-GHMZBOCLSA-N 1 0 305.328 3.347 10 0 DGAERO COc1c(C)cc(C[N@H+](C)CCO[C@H]2CCCCO2)cc1C ZINC000193048121 432444040 /nfs/dbraw/zinc/44/40/40/432444040.db2.gz RMVLBKMIDBCCHL-KRWDZBQOSA-N 1 0 307.434 3.287 10 0 DGAERO C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193061573 432444120 /nfs/dbraw/zinc/44/41/20/432444120.db2.gz GDHORUXPVFUZAK-NVXWUHKLSA-N 1 0 307.482 3.083 10 0 DGAERO CC[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000153816604 432445379 /nfs/dbraw/zinc/44/53/79/432445379.db2.gz SLDKGYLDPDYRAE-INIZCTEOSA-N 1 0 315.461 3.224 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cccc(N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000261746288 432446405 /nfs/dbraw/zinc/44/64/05/432446405.db2.gz VLXDLIYFDBSQMD-FZKQIMNGSA-N 1 0 300.377 3.370 10 0 DGAERO CC(C)=C(F)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000153836511 432449029 /nfs/dbraw/zinc/44/90/29/432449029.db2.gz PMCKDSYVXOZIHF-INIZCTEOSA-N 1 0 304.409 3.230 10 0 DGAERO Fc1ccc2oc(CN3CC[NH2+]C[C@@H]3c3cccnc3)cc2c1 ZINC000261791731 432449841 /nfs/dbraw/zinc/44/98/41/432449841.db2.gz VABSTUZEPDPGGS-QGZVFWFLSA-N 1 0 311.360 3.113 10 0 DGAERO [NH3+]C1(c2noc([C@H]3C[C@H]3c3cc(F)ccc3F)n2)CCCC1 ZINC000261810101 432452220 /nfs/dbraw/zinc/45/22/20/432452220.db2.gz PTIMTOLIGWSHRW-JQWIXIFHSA-N 1 0 305.328 3.347 10 0 DGAERO [NH3+]CC[C@@H]1CCCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000261822027 432452745 /nfs/dbraw/zinc/45/27/45/432452745.db2.gz AUPRFPRWLCWKPZ-INIZCTEOSA-N 1 0 303.381 3.184 10 0 DGAERO [NH3+]C1(c2noc([C@@H]3C[C@H]3c3cc(F)ccc3F)n2)CCCC1 ZINC000261810099 432453435 /nfs/dbraw/zinc/45/34/35/432453435.db2.gz PTIMTOLIGWSHRW-CMPLNLGQSA-N 1 0 305.328 3.347 10 0 DGAERO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261837690 432454203 /nfs/dbraw/zinc/45/42/03/432454203.db2.gz ACGWFOQBUHJHHI-OTWHNJEPSA-N 1 0 302.462 3.057 10 0 DGAERO CCS[C@H]1CCCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185003252 432454583 /nfs/dbraw/zinc/45/45/83/432454583.db2.gz HSGQWRZSTVMCOD-HNNXBMFYSA-N 1 0 320.462 3.183 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000153439775 432410236 /nfs/dbraw/zinc/41/02/36/432410236.db2.gz ATMYXYSUYJBEDD-MRXNPFEDSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000175233465 432413128 /nfs/dbraw/zinc/41/31/28/432413128.db2.gz LTXJSYKBNXTMNC-CZUORRHYSA-N 1 0 315.392 3.149 10 0 DGAERO C[C@@H]1CCC[C@H](C)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000255848286 432413374 /nfs/dbraw/zinc/41/33/74/432413374.db2.gz VTUFOAOJYYWQSU-OZSLIKBDSA-N 1 0 307.482 3.222 10 0 DGAERO C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)C1CCCC1 ZINC000184622259 432413641 /nfs/dbraw/zinc/41/36/41/432413641.db2.gz SADQLJJKEFTMCL-LBPRGKRZSA-N 1 0 317.458 3.427 10 0 DGAERO CCCC[C@H](CC)C[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@@H]23 ZINC000256047949 432415112 /nfs/dbraw/zinc/41/51/12/432415112.db2.gz PPBZFSFNWRZFET-TXPKVOOTSA-N 1 0 314.473 3.446 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1Cl ZINC000192812663 432417945 /nfs/dbraw/zinc/41/79/45/432417945.db2.gz WNBRWVQFXFCQJD-KBPBESRZSA-N 1 0 316.836 3.450 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1 ZINC000192815328 432419031 /nfs/dbraw/zinc/41/90/31/432419031.db2.gz QTAXDVCYDFSSOO-IAGOWNOFSA-N 1 0 314.408 3.325 10 0 DGAERO CSc1ccccc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000192853575 432421617 /nfs/dbraw/zinc/42/16/17/432421617.db2.gz WAAYBMYQVMXPNA-MRXNPFEDSA-N 1 0 314.454 3.441 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1cccs1 ZINC000192870509 432423323 /nfs/dbraw/zinc/42/33/23/432423323.db2.gz CHKYBOXNPWCTLL-LLVKDONJSA-N 1 0 308.834 3.369 10 0 DGAERO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000192867156 432424263 /nfs/dbraw/zinc/42/42/63/432424263.db2.gz QJCJRZFYLKVDII-NWDGAFQWSA-N 1 0 306.435 3.203 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1sc(C)c(C)c1C ZINC000175341798 432426129 /nfs/dbraw/zinc/42/61/29/432426129.db2.gz KVAQDYCDLUWMKJ-HNNXBMFYSA-N 1 0 323.506 3.028 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)o1 ZINC000184730473 432427659 /nfs/dbraw/zinc/42/76/59/432427659.db2.gz HLFBBTGEAIRAQP-HIFRSBDPSA-N 1 0 307.438 3.213 10 0 DGAERO CC[C@H](C)Oc1cccc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262043491 432471787 /nfs/dbraw/zinc/47/17/87/432471787.db2.gz YULLLDQRDIKQQE-WQANXHIZSA-N 1 0 318.461 3.433 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000185156792 432472136 /nfs/dbraw/zinc/47/21/36/432472136.db2.gz CJBSSXDGGPHOPR-CABCVRRESA-N 1 0 324.415 3.147 10 0 DGAERO CC[C@H](C)Oc1cccc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262043484 432472374 /nfs/dbraw/zinc/47/23/74/432472374.db2.gz YULLLDQRDIKQQE-JEDBISTDSA-N 1 0 318.461 3.433 10 0 DGAERO Fc1ccccc1OCc1noc([C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000262093973 432472936 /nfs/dbraw/zinc/47/29/36/432472936.db2.gz VAXRVMRMLYACSO-BNOWGMLFSA-N 1 0 317.364 3.381 10 0 DGAERO CSCCCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154119330 432474115 /nfs/dbraw/zinc/47/41/15/432474115.db2.gz BBPWYJHVMDDEFP-UHFFFAOYSA-N 1 0 312.523 3.244 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154125382 432474914 /nfs/dbraw/zinc/47/49/14/432474914.db2.gz HMLOUJBHEHUKTC-UZICZHQRSA-N 1 0 316.420 3.172 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1F ZINC000262135814 432475198 /nfs/dbraw/zinc/47/51/98/432475198.db2.gz LYSDJUPIDBNDQE-YVVXQTMVSA-N 1 0 304.409 3.232 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3nccs3)C2)c1 ZINC000154148774 432476208 /nfs/dbraw/zinc/47/62/08/432476208.db2.gz OXUOQXUBCUMNFR-KBPBESRZSA-N 1 0 317.458 3.329 10 0 DGAERO CC[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000262245651 432478514 /nfs/dbraw/zinc/47/85/14/432478514.db2.gz RCLJTTOVIXCBFI-UBDQQSCGSA-N 1 0 300.446 3.217 10 0 DGAERO COc1ncccc1C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000193543267 432481395 /nfs/dbraw/zinc/48/13/95/432481395.db2.gz IJJCMMLGLINXRO-CQSZACIVSA-N 1 0 308.385 3.127 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000262439138 432485528 /nfs/dbraw/zinc/48/55/28/432485528.db2.gz XTMOALLWFVWMPM-DOXZYTNZSA-N 1 0 323.440 3.314 10 0 DGAERO CCC1(CC)C[N@H+](CCCc2cccc(OC)c2)CC[S@]1=O ZINC000185283355 432486221 /nfs/dbraw/zinc/48/62/21/432486221.db2.gz BGNHBVPIKYWMMZ-JOCHJYFZSA-N 1 0 323.502 3.251 10 0 DGAERO Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(Cl)cc2)o1 ZINC000193634732 432486845 /nfs/dbraw/zinc/48/68/45/432486845.db2.gz GJNZGUDIBDBPPW-GFCCVEGCSA-N 1 0 306.793 3.208 10 0 DGAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(c2ccccc2)CC1 ZINC000262495999 432487335 /nfs/dbraw/zinc/48/73/35/432487335.db2.gz LKGYMZFUIUKJMZ-QRVBRYPASA-N 1 0 312.457 3.313 10 0 DGAERO Cc1ccccc1SCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154299436 432489188 /nfs/dbraw/zinc/48/91/88/432489188.db2.gz ZVPBEDVHFBVQRF-JKSUJKDBSA-N 1 0 318.486 3.030 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000262527151 432489306 /nfs/dbraw/zinc/48/93/06/432489306.db2.gz PAFXDBWQUCIPLH-CYBMUJFWSA-N 1 0 314.351 3.100 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]nc1C(C)C)CC(C)C ZINC000193683608 432490511 /nfs/dbraw/zinc/49/05/11/432490511.db2.gz YQGYJMTUYDMVDS-AWEZNQCLSA-N 1 0 308.470 3.019 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262573357 432491321 /nfs/dbraw/zinc/49/13/21/432491321.db2.gz XRKAJDQOOWMKRU-DXCKQFNASA-N 1 0 322.836 3.119 10 0 DGAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(C)c(CC)c2)C1(C)C ZINC000262556673 432491456 /nfs/dbraw/zinc/49/14/56/432491456.db2.gz UHMUQEUBZWBJSN-QAPCUYQASA-N 1 0 304.434 3.028 10 0 DGAERO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000185352522 432494315 /nfs/dbraw/zinc/49/43/15/432494315.db2.gz SZXJNMPJAZEALU-KGLIPLIRSA-N 1 0 317.401 3.070 10 0 DGAERO CSc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1Cl ZINC000176115177 432494619 /nfs/dbraw/zinc/49/46/19/432494619.db2.gz BOXWQMGNJBHMSJ-NSHDSACASA-N 1 0 313.854 3.230 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)C1 ZINC000262647502 432496202 /nfs/dbraw/zinc/49/62/02/432496202.db2.gz SYQPLPGFNQDFAL-UONOGXRCSA-N 1 0 311.385 3.285 10 0 DGAERO Cc1[nH]c2ccc(CNC(=O)[C@H]([NH3+])c3ccc(C)cc3)cc2c1C ZINC000262675632 432497674 /nfs/dbraw/zinc/49/76/74/432497674.db2.gz UDMCJNSNPPNTJG-LJQANCHMSA-N 1 0 321.424 3.409 10 0 DGAERO Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccccc2OC2CCC2)cc1 ZINC000262669584 432498493 /nfs/dbraw/zinc/49/84/93/432498493.db2.gz RAANOLCIGFJNSW-LJQANCHMSA-N 1 0 324.424 3.243 10 0 DGAERO CC[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1nc(C)cs1 ZINC000176335825 432512927 /nfs/dbraw/zinc/51/29/27/432512927.db2.gz MSWILUZKUXYXRO-KGLIPLIRSA-N 1 0 324.494 3.028 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000193822456 432501191 /nfs/dbraw/zinc/50/11/91/432501191.db2.gz YOXAMTRVSITRIQ-ZDUSSCGKSA-N 1 0 323.868 3.001 10 0 DGAERO CCCc1nc(C)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000193875150 432505510 /nfs/dbraw/zinc/50/55/10/432505510.db2.gz AVJMVVKRHMIWPR-CYBMUJFWSA-N 1 0 311.495 3.110 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(F)cc(F)c1 ZINC000176272849 432505751 /nfs/dbraw/zinc/50/57/51/432505751.db2.gz GCJTYIPHVFCBNW-BLLLJJGKSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@H](CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccccc1 ZINC000193868219 432506077 /nfs/dbraw/zinc/50/60/77/432506077.db2.gz SARFYUOKYXLLFV-UYAOXDASSA-N 1 0 316.489 3.367 10 0 DGAERO O[C@@]1(C(F)(F)F)CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185517110 432507204 /nfs/dbraw/zinc/50/72/04/432507204.db2.gz UZXHPLAPWGTMFH-ILDUYXDCSA-N 1 0 319.289 3.354 10 0 DGAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000262928536 432508519 /nfs/dbraw/zinc/50/85/19/432508519.db2.gz HPHKIXXRLGBRIA-CRAIPNDOSA-N 1 0 317.433 3.127 10 0 DGAERO Cc1nn(C)c2ncc(C[N@H+](C)CCOc3ccc(C)cc3)cc12 ZINC000193952097 432511663 /nfs/dbraw/zinc/51/16/63/432511663.db2.gz NAZKCEPTCRDBGX-UHFFFAOYSA-N 1 0 324.428 3.096 10 0 DGAERO COCCOCC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000175737694 432460061 /nfs/dbraw/zinc/46/00/61/432460061.db2.gz ATVMPEDSCAVLJP-CQSZACIVSA-N 1 0 312.479 3.109 10 0 DGAERO CC(C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CCCC1 ZINC000261938382 432461884 /nfs/dbraw/zinc/46/18/84/432461884.db2.gz MMSVLHORGSEXLU-KURKYZTESA-N 1 0 308.510 3.340 10 0 DGAERO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185064888 432461887 /nfs/dbraw/zinc/46/18/87/432461887.db2.gz PZALSOGNBVKWCK-QGZVFWFLSA-N 1 0 322.412 3.412 10 0 DGAERO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCC1 ZINC000175765421 432463752 /nfs/dbraw/zinc/46/37/52/432463752.db2.gz PTGJQURIRXKVED-AWEZNQCLSA-N 1 0 307.482 3.271 10 0 DGAERO CCN(CCc1cccs1)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000261946828 432463894 /nfs/dbraw/zinc/46/38/94/432463894.db2.gz ORUOMCLETWNXJM-HZPDHXFCSA-N 1 0 308.491 3.437 10 0 DGAERO CCC[C@@H]([NH2+]C[C@H](O)c1ccccc1OC)c1cccnc1 ZINC000185096448 432464921 /nfs/dbraw/zinc/46/49/21/432464921.db2.gz OACHKVSRXUSOFM-SJORKVTESA-N 1 0 300.402 3.255 10 0 DGAERO CCC[C@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1cccnc1 ZINC000185096466 432465001 /nfs/dbraw/zinc/46/50/01/432465001.db2.gz OACHKVSRXUSOFM-DLBZAZTESA-N 1 0 300.402 3.255 10 0 DGAERO CN(Cc1ccccc1OC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262005809 432467325 /nfs/dbraw/zinc/46/73/25/432467325.db2.gz VUVQNUSTVNTTDX-PBWFPOADSA-N 1 0 314.351 3.300 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261990218 432468227 /nfs/dbraw/zinc/46/82/27/432468227.db2.gz SPSLXJYTWZRRJX-OTWHNJEPSA-N 1 0 316.489 3.231 10 0 DGAERO CC(C)c1nc([C@@H]2CCCCCN2C[C@@H]2CCC[NH2+]C2)no1 ZINC000262035853 432469045 /nfs/dbraw/zinc/46/90/45/432469045.db2.gz XSSSPDYSVAISDP-CABCVRRESA-N 1 0 306.454 3.110 10 0 DGAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000193372891 432470161 /nfs/dbraw/zinc/47/01/61/432470161.db2.gz ZTNHPYFAWRZGCZ-MSOLQXFVSA-N 1 0 309.425 3.010 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)CCCO1 ZINC000176912733 432565031 /nfs/dbraw/zinc/56/50/31/432565031.db2.gz GPKCPFYGXADTSE-CYBMUJFWSA-N 1 0 308.447 3.071 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C3CCCCC3)CC[C@@H]21 ZINC000155381983 432552637 /nfs/dbraw/zinc/55/26/37/432552637.db2.gz VTPKZOICYWRZPT-TVFCKZIOSA-N 1 0 304.478 3.146 10 0 DGAERO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000155536890 432558567 /nfs/dbraw/zinc/55/85/67/432558567.db2.gz JAGSVHILCJNVRL-CQSZACIVSA-N 1 0 304.365 3.189 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC000176361717 432514769 /nfs/dbraw/zinc/51/47/69/432514769.db2.gz HAQCFPXMKWYKMC-AWEZNQCLSA-N 1 0 304.463 3.356 10 0 DGAERO C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194051321 432520865 /nfs/dbraw/zinc/52/08/65/432520865.db2.gz MGAUYYVBIWRJGR-FUHWJXTLSA-N 1 0 321.509 3.330 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)COC2CCOCC2)cc1 ZINC000176420244 432520905 /nfs/dbraw/zinc/52/09/05/432520905.db2.gz NNFGLYIUCPXRBY-QAPCUYQASA-N 1 0 321.461 3.017 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+]Cc1cccnc1N(C)C)CCC2 ZINC000154787339 432521530 /nfs/dbraw/zinc/52/15/30/432521530.db2.gz ANJOKDFFSRCXAI-CYBMUJFWSA-N 1 0 302.447 3.080 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000154813807 432523266 /nfs/dbraw/zinc/52/32/66/432523266.db2.gz LDVPRPYJIDRWPL-UHFFFAOYSA-N 1 0 312.816 3.329 10 0 DGAERO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000176455130 432524561 /nfs/dbraw/zinc/52/45/61/432524561.db2.gz BPWWDEVTBPAJBR-HZPDHXFCSA-N 1 0 308.853 3.242 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1c(F)cccc1Br ZINC000272570149 432526435 /nfs/dbraw/zinc/52/64/35/432526435.db2.gz JRPRLROIDHSRQB-UHFFFAOYSA-N 1 0 304.203 3.227 10 0 DGAERO CSCc1cc(F)ccc1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263218843 432526707 /nfs/dbraw/zinc/52/67/07/432526707.db2.gz LMVJRVMUUDWTRU-NVXWUHKLSA-N 1 0 324.465 3.213 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccccc3F)CC[C@@H]21 ZINC000154864700 432527070 /nfs/dbraw/zinc/52/70/70/432527070.db2.gz NDKZAHURFDZKOB-YOEHRIQHSA-N 1 0 318.436 3.046 10 0 DGAERO C[C@]1(c2ccccc2)CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263228912 432528644 /nfs/dbraw/zinc/52/86/44/432528644.db2.gz NCTDMHZIXPPKKL-NEWSRXKRSA-N 1 0 300.446 3.084 10 0 DGAERO CCc1cnccc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000154953707 432530311 /nfs/dbraw/zinc/53/03/11/432530311.db2.gz IBOFXZVRKWOTGL-IYBDPMFKSA-N 1 0 317.477 3.132 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000185781497 432531300 /nfs/dbraw/zinc/53/13/00/432531300.db2.gz RNGMLSAIGUFGES-ZIAGYGMSSA-N 1 0 300.402 3.344 10 0 DGAERO c1ccc(OCc2n[nH]c(C[NH2+]CC3CCCCC3)n2)cc1 ZINC000185763859 432532213 /nfs/dbraw/zinc/53/22/13/432532213.db2.gz SKARZIJWRQTNKZ-UHFFFAOYSA-N 1 0 300.406 3.054 10 0 DGAERO CC(C)(CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C1CCCCC1 ZINC000154964914 432532782 /nfs/dbraw/zinc/53/27/82/432532782.db2.gz VIFJGHRONNBFHD-QGZVFWFLSA-N 1 0 319.493 3.249 10 0 DGAERO Cc1cccc2[nH]cc(CCNC(=O)[C@H]3CCCC[C@]3(C)[NH3+])c21 ZINC000263315468 432532999 /nfs/dbraw/zinc/53/29/99/432532999.db2.gz ZJFNRLBTPFGHES-BEFAXECRSA-N 1 0 313.445 3.043 10 0 DGAERO COC(=O)c1cc(CN2CCC[C@H](C(F)(F)F)C2)oc1C ZINC000194270375 432536282 /nfs/dbraw/zinc/53/62/82/432536282.db2.gz NIVIQLQJRURAPT-JTQLQIEISA-N 1 0 305.296 3.149 10 0 DGAERO C[C@H](CNC(=O)Nc1ccc2cc[nH]c2c1)C[NH+]1CCCC1 ZINC000194266651 432536720 /nfs/dbraw/zinc/53/67/20/432536720.db2.gz HCESHEIRSYEBKU-CYBMUJFWSA-N 1 0 300.406 3.021 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)C/C=C/c1cccc(F)c1 ZINC000176612869 432538044 /nfs/dbraw/zinc/53/80/44/432538044.db2.gz HCAKNAINITYBJZ-JKNJVXJCSA-N 1 0 304.409 3.220 10 0 DGAERO Cn1c2ccc(C[NH2+]CCc3ccccc3F)cc2sc1=O ZINC000195118887 432605269 /nfs/dbraw/zinc/60/52/69/432605269.db2.gz RBADXTJSRMZDRJ-UHFFFAOYSA-N 1 0 316.401 3.071 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccccc1-n1cccn1 ZINC000177286438 432606706 /nfs/dbraw/zinc/60/67/06/432606706.db2.gz BFWVMACJVKUZFL-BEFAXECRSA-N 1 0 313.445 3.464 10 0 DGAERO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)cc1 ZINC000156892049 432610401 /nfs/dbraw/zinc/61/04/01/432610401.db2.gz QFGLIYIHVXMTTQ-INIZCTEOSA-N 1 0 310.441 3.418 10 0 DGAERO CCCCOC[C@H](O)CN(C)Cc1ccc(F)cc1Cl ZINC000195176043 432610428 /nfs/dbraw/zinc/61/04/28/432610428.db2.gz PJBAOFLBVMQOFC-CQSZACIVSA-N 1 0 303.805 3.089 10 0 DGAERO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cnc2nc(C)cc(C)n12 ZINC000195198913 432612931 /nfs/dbraw/zinc/61/29/31/432612931.db2.gz ZVBJWRAWZHKACZ-SFHVURJKSA-N 1 0 316.449 3.127 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000155765838 432573412 /nfs/dbraw/zinc/57/34/12/432573412.db2.gz RDERUQLMRXPAAI-ZNMIVQPWSA-N 1 0 304.434 3.029 10 0 DGAERO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)s1 ZINC000177012608 432576147 /nfs/dbraw/zinc/57/61/47/432576147.db2.gz RGHMWPGCUPWJFH-WOPDTQHZSA-N 1 0 314.882 3.446 10 0 DGAERO CCOc1ccc(C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)cc1 ZINC000186276697 432576288 /nfs/dbraw/zinc/57/62/88/432576288.db2.gz PTMZTSPKMHLSGF-ROUUACIJSA-N 1 0 319.445 3.149 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1C(F)(F)F ZINC000177025731 432576713 /nfs/dbraw/zinc/57/67/13/432576713.db2.gz XSRZDBRBJQWOKB-LBPRGKRZSA-N 1 0 314.351 3.262 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)C12CCOCC2 ZINC000186267906 432576881 /nfs/dbraw/zinc/57/68/81/432576881.db2.gz NPPIONUWAXYCCO-MSOLQXFVSA-N 1 0 315.413 3.497 10 0 DGAERO CCCOc1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000177028671 432577420 /nfs/dbraw/zinc/57/74/20/432577420.db2.gz KUTHFOZAYXZHAP-INIZCTEOSA-N 1 0 304.434 3.032 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)C12CCOCC2 ZINC000186323328 432580798 /nfs/dbraw/zinc/58/07/98/432580798.db2.gz UACOGBVIXCEJKY-HOTGVXAUSA-N 1 0 311.372 3.029 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Br)c2)CCN1C ZINC000177059285 432581251 /nfs/dbraw/zinc/58/12/51/432581251.db2.gz KJKRGAWHIKMKQI-IUODEOHRSA-N 1 0 311.267 3.364 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2cc(C)cc(C)c2)C12CCOCC2 ZINC000186353482 432585970 /nfs/dbraw/zinc/58/59/70/432585970.db2.gz YOPHLHMXMVJWMX-RBUKOAKNSA-N 1 0 317.473 3.410 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2ccccc2F)CC1 ZINC000194936744 432587378 /nfs/dbraw/zinc/58/73/78/432587378.db2.gz FXSVLLKCDKTINO-UHFFFAOYSA-N 1 0 321.440 3.089 10 0 DGAERO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)Nc1ccccc1F ZINC000194924781 432588039 /nfs/dbraw/zinc/58/80/39/432588039.db2.gz BDHYKRJTGYZUCB-KRWDZBQOSA-N 1 0 308.397 3.045 10 0 DGAERO Cc1ccccc1C(C)(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000177142318 432591214 /nfs/dbraw/zinc/59/12/14/432591214.db2.gz DJXSIAOLGSTYFI-DOTOQJQBSA-N 1 0 302.462 3.118 10 0 DGAERO CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000186406716 432592999 /nfs/dbraw/zinc/59/29/99/432592999.db2.gz LNQGFFCUQRJCDZ-QAPCUYQASA-N 1 0 306.425 3.186 10 0 DGAERO C[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CC1 ZINC000177217586 432598655 /nfs/dbraw/zinc/59/86/55/432598655.db2.gz VATYOGVSRCBGEF-NSHDSACASA-N 1 0 313.367 3.457 10 0 DGAERO CC(C)(C)SCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177229309 432600734 /nfs/dbraw/zinc/60/07/34/432600734.db2.gz PZKSJYKALJNQDD-UHFFFAOYSA-N 1 0 312.523 3.431 10 0 DGAERO CCC[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000195093321 432601779 /nfs/dbraw/zinc/60/17/79/432601779.db2.gz JBZXSJRPWNVWEY-QZTJIDSGSA-N 1 0 300.446 3.267 10 0 DGAERO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c1 ZINC000177240689 432602136 /nfs/dbraw/zinc/60/21/36/432602136.db2.gz NBQFYXJHTWYSDL-GUYCJALGSA-N 1 0 301.386 3.088 10 0 DGAERO O=C(Cc1cccc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195090622 432602267 /nfs/dbraw/zinc/60/22/67/432602267.db2.gz HVRWNNKUEUAZQK-GOSISDBHSA-N 1 0 308.425 3.079 10 0 DGAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000177244679 432602662 /nfs/dbraw/zinc/60/26/62/432602662.db2.gz TTYZOIHEVRMBSV-JXFKEZNVSA-N 1 0 312.457 3.337 10 0 DGAERO CSCCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157465997 432621360 /nfs/dbraw/zinc/62/13/60/432621360.db2.gz GXHDDPDGDVRBHC-OAHLLOKOSA-N 1 0 312.523 3.243 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc2ccccc2o1 ZINC000177416054 432622121 /nfs/dbraw/zinc/62/21/21/432622121.db2.gz PTXNTRABCMJMNI-OAHLLOKOSA-N 1 0 315.417 3.059 10 0 DGAERO Cc1oc(-c2ccccc2)c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000186683425 432622721 /nfs/dbraw/zinc/62/27/21/432622721.db2.gz QKTCVNZZFDPKJC-QGZVFWFLSA-N 1 0 324.424 3.484 10 0 DGAERO Cc1cnc(CCN(C)[C@@H](C)C(=O)NCC2CCCCC2)s1 ZINC000157518186 432623507 /nfs/dbraw/zinc/62/35/07/432623507.db2.gz DUHSOYUXXSIKDF-AWEZNQCLSA-N 1 0 323.506 3.011 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1Cl ZINC000195444596 432623743 /nfs/dbraw/zinc/62/37/43/432623743.db2.gz UZLLJSQQTJAAKN-HNNXBMFYSA-N 1 0 318.852 3.141 10 0 DGAERO CC(C)(C)N1C[C@H](c2ccccc2Cl)C2(CC[NH2+]CC2)C1=O ZINC000216087702 432647749 /nfs/dbraw/zinc/64/77/49/432647749.db2.gz NCEUNCYPXRQQJZ-CQSZACIVSA-N 1 0 320.864 3.434 10 0 DGAERO CCN(CC)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000177424761 432624196 /nfs/dbraw/zinc/62/41/96/432624196.db2.gz PUASBMQVACQLMF-SFHVURJKSA-N 1 0 317.477 3.089 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000195619587 432630113 /nfs/dbraw/zinc/63/01/13/432630113.db2.gz JPMASEXDVUEKBZ-ZBFHGGJFSA-N 1 0 321.465 3.460 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(SC)c1 ZINC000177497692 432630715 /nfs/dbraw/zinc/63/07/15/432630715.db2.gz LFVXSKLUWSLFHU-LSDHHAIUSA-N 1 0 319.474 3.499 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)ccc1C ZINC000177503118 432630739 /nfs/dbraw/zinc/63/07/39/432630739.db2.gz WMBOYKFZNVPFOB-LSDHHAIUSA-N 1 0 305.397 3.225 10 0 DGAERO C[N@H+](CCCc1ccccc1Br)CC1(CO)CC1 ZINC000186771540 432630900 /nfs/dbraw/zinc/63/09/00/432630900.db2.gz GQLWMNAXNPVDMH-UHFFFAOYSA-N 1 0 312.251 3.086 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1F ZINC000177505311 432632094 /nfs/dbraw/zinc/63/20/94/432632094.db2.gz VRMNZVXDUFMKQY-UONOGXRCSA-N 1 0 305.397 3.225 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)c(F)c1 ZINC000177503991 432632393 /nfs/dbraw/zinc/63/23/93/432632393.db2.gz KXAFPPNGEGBODI-LSDHHAIUSA-N 1 0 305.397 3.225 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(SC)cc1 ZINC000177515981 432632534 /nfs/dbraw/zinc/63/25/34/432632534.db2.gz LZMGVWHHBVFRGW-HUUCEWRRSA-N 1 0 319.474 3.499 10 0 DGAERO CCC[C@@H](C)C[NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000157958784 432633775 /nfs/dbraw/zinc/63/37/75/432633775.db2.gz NZOLMJRCILSVTI-APWZRJJASA-N 1 0 320.477 3.094 10 0 DGAERO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(c3cccnn3)CC2)C1 ZINC000187112073 432646534 /nfs/dbraw/zinc/64/65/34/432646534.db2.gz KRQOWQVLLJHTAS-UYAOXDASSA-N 1 0 322.456 3.109 10 0 DGAERO Cn1cc([C@@H]([NH2+][C@@H]2CCCSC2)c2ccc(F)cc2)cn1 ZINC000186649823 432618274 /nfs/dbraw/zinc/61/82/74/432618274.db2.gz SXLURHKIDVTAMW-CVEARBPZSA-N 1 0 305.422 3.134 10 0 DGAERO CC[C@]1(CO)CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000187530636 432668703 /nfs/dbraw/zinc/66/87/03/432668703.db2.gz LXSSXBNILMAYDV-SFHVURJKSA-N 1 0 318.392 3.465 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cccnc1 ZINC000158561897 432649887 /nfs/dbraw/zinc/64/98/87/432649887.db2.gz BOXFTPHMXQWYPQ-GJYPPUQNSA-N 1 0 310.445 3.038 10 0 DGAERO CCC[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccccn1 ZINC000158602510 432651214 /nfs/dbraw/zinc/65/12/14/432651214.db2.gz AUDQSJQSEVDBHW-INIZCTEOSA-N 1 0 307.401 3.293 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000177701412 432652398 /nfs/dbraw/zinc/65/23/98/432652398.db2.gz NWUHUCKZWFVMCB-KBPBESRZSA-N 1 0 323.868 3.083 10 0 DGAERO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1(C)C ZINC000217857812 432655828 /nfs/dbraw/zinc/65/58/28/432655828.db2.gz QZMUWATYACPQOH-QWHCGFSZSA-N 1 0 316.214 3.491 10 0 DGAERO COc1ccc2oc([C@H](C)[NH2+]CC(=O)NC(C)(C)C)c(C)c2c1 ZINC000177765873 432659133 /nfs/dbraw/zinc/65/91/33/432659133.db2.gz BERIKUYOEDQLGC-LBPRGKRZSA-N 1 0 318.417 3.315 10 0 DGAERO Cc1nc(Cl)cc(NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000265163206 432669788 /nfs/dbraw/zinc/66/97/88/432669788.db2.gz FIUKMYJXULKCMA-UHFFFAOYSA-N 1 0 308.788 3.251 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C(C2CC2)C2CC2)cc1NC(C)=O ZINC000177778442 432660489 /nfs/dbraw/zinc/66/04/89/432660489.db2.gz QWKTUPNPVYWLHO-NSHDSACASA-N 1 0 302.418 3.493 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000187394000 432662440 /nfs/dbraw/zinc/66/24/40/432662440.db2.gz ZKMVKOPPGDULPP-INIZCTEOSA-N 1 0 317.477 3.090 10 0 DGAERO COc1ccccc1/C=C/C[NH2+]CCc1nn(C)c2ccccc12 ZINC000187393772 432662989 /nfs/dbraw/zinc/66/29/89/432662989.db2.gz ZBNNDABJZWAIHL-VQHVLOKHSA-N 1 0 321.424 3.427 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)C1 ZINC000187448623 432664137 /nfs/dbraw/zinc/66/41/37/432664137.db2.gz KFXUPMQZQHIKLC-MRXNPFEDSA-N 1 0 322.880 3.461 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000158966151 432664989 /nfs/dbraw/zinc/66/49/89/432664989.db2.gz CHEYDJWKWAHWPM-PBHICJAKSA-N 1 0 318.436 3.092 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000158979242 432665123 /nfs/dbraw/zinc/66/51/23/432665123.db2.gz NFKRHNBPVHNPAY-FPTDNZKUSA-N 1 0 317.454 3.326 10 0 DGAERO CCc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1F ZINC000159001272 432666507 /nfs/dbraw/zinc/66/65/07/432666507.db2.gz GJNCLMMWGSWHJT-UHFFFAOYSA-N 1 0 307.413 3.382 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](CCOc1ccccc1Cl)CC2 ZINC000220385534 432666542 /nfs/dbraw/zinc/66/65/42/432666542.db2.gz UOVOXYOKVJRFHB-YOEHRIQHSA-N 1 0 309.837 3.346 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000177827408 432667243 /nfs/dbraw/zinc/66/72/43/432667243.db2.gz CFYHGSFDAGSDBB-VXGBXAGGSA-N 1 0 322.405 3.036 10 0 DGAERO Cc1csc2nc(C)nc(N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c12 ZINC000274653048 432693583 /nfs/dbraw/zinc/69/35/83/432693583.db2.gz GTDCJLSLJQEMAD-AAEUAGOBSA-N 1 0 304.463 3.227 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187969266 432695066 /nfs/dbraw/zinc/69/50/66/432695066.db2.gz FPYRGMQWKVMEGI-SJCJKPOMSA-N 1 0 324.852 3.070 10 0 DGAERO COCC[C@@](C)(O)C[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000180554752 292659192 /nfs/dbraw/zinc/65/91/92/292659192.db2.gz UFPGTGGCKJSJLV-WOJBJXKFSA-N 1 0 313.441 3.462 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cc(F)cc3cccnc32)C1 ZINC000188025164 432699313 /nfs/dbraw/zinc/69/93/13/432699313.db2.gz LAMHPAFCFXMISS-FZKQIMNGSA-N 1 0 302.393 3.357 10 0 DGAERO CCn1cc([C@H](C)NC2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000178159368 432700591 /nfs/dbraw/zinc/70/05/91/432700591.db2.gz QGDCLHIWRBGHGX-HNNXBMFYSA-N 1 0 304.482 3.208 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@H]1c1ccsc1 ZINC000188146349 432707636 /nfs/dbraw/zinc/70/76/36/432707636.db2.gz JYVFWAJUMACDSP-KBPBESRZSA-N 1 0 309.381 3.234 10 0 DGAERO O=C(NC/C=C/c1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178232915 432709444 /nfs/dbraw/zinc/70/94/44/432709444.db2.gz KQQOMPIDZFHWFA-RUJXFNLJSA-N 1 0 312.457 3.471 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000227063384 432709491 /nfs/dbraw/zinc/70/94/91/432709491.db2.gz FMQRPTRHRHDXFN-NILFDRSVSA-N 1 0 310.235 3.187 10 0 DGAERO FCCC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000178257544 432712299 /nfs/dbraw/zinc/71/22/99/432712299.db2.gz SXRQGXKWNRQXCW-UHFFFAOYSA-N 1 0 304.331 3.183 10 0 DGAERO CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1nccs1 ZINC000178263293 432713221 /nfs/dbraw/zinc/71/32/21/432713221.db2.gz ZSAAQULXRHWXCF-UKRRQHHQSA-N 1 0 321.490 3.365 10 0 DGAERO Cc1cc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cc(C)c1O ZINC000227687635 432714076 /nfs/dbraw/zinc/71/40/76/432714076.db2.gz RAZKRAYRKKRDMR-ZDUSSCGKSA-N 1 0 308.422 3.012 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227848938 432716042 /nfs/dbraw/zinc/71/60/42/432716042.db2.gz UTMBWYJAIKRNAA-IMTBSYHQSA-N 1 0 310.644 3.431 10 0 DGAERO CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)cc1OC ZINC000188309853 432717889 /nfs/dbraw/zinc/71/78/89/432717889.db2.gz DUSIFNVSTNXBMH-KBXCAEBGSA-N 1 0 307.434 3.341 10 0 DGAERO COc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1Br ZINC000229883880 432722687 /nfs/dbraw/zinc/72/26/87/432722687.db2.gz RDZGTKQPICHSOC-VIFPVBQESA-N 1 0 310.195 3.032 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000223092171 432673908 /nfs/dbraw/zinc/67/39/08/432673908.db2.gz ROPKOPPAPJJEBH-QLFBSQMISA-N 1 0 310.235 3.330 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@@H]2CCCOC2)nnn1-c1ccc(Cl)cc1 ZINC000177931369 432675434 /nfs/dbraw/zinc/67/54/34/432675434.db2.gz HDNJEKJTIPFYIX-SMDDNHRTSA-N 1 0 320.824 3.059 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)ccc1F ZINC000177931672 432676211 /nfs/dbraw/zinc/67/62/11/432676211.db2.gz TZEJMARHJUGWBP-GXSJLCMTSA-N 1 0 302.187 3.418 10 0 DGAERO Cc1nccnc1[C@@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000187673337 432677112 /nfs/dbraw/zinc/67/71/12/432677112.db2.gz UNTGOUWMHDTSLY-MRXNPFEDSA-N 1 0 310.445 3.100 10 0 DGAERO COc1ccc([C@H](C)[NH2+]Cc2cc(C(N)=O)co2)c2ccccc12 ZINC000187712376 432677928 /nfs/dbraw/zinc/67/79/28/432677928.db2.gz YXPAEQOIPHUNPY-LBPRGKRZSA-N 1 0 324.380 3.391 10 0 DGAERO Cc1cc(C)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[nH]1 ZINC000159308149 432677998 /nfs/dbraw/zinc/67/79/98/432677998.db2.gz FVSLLYOYHOYUQB-UHFFFAOYSA-N 1 0 311.429 3.157 10 0 DGAERO CCOc1ccc(C2(C[NH2+]C[C@@H](C)COC)CCOCC2)cc1 ZINC000187714355 432680089 /nfs/dbraw/zinc/68/00/89/432680089.db2.gz PLXHJFCPTFFKAQ-MRXNPFEDSA-N 1 0 321.461 3.006 10 0 DGAERO CCN(Cc1nsc(N(C)C)n1)[C@@H](C)Cc1ccsc1 ZINC000187788881 432685779 /nfs/dbraw/zinc/68/57/79/432685779.db2.gz DNOPANPUQFHXHR-NSHDSACASA-N 1 0 310.492 3.119 10 0 DGAERO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187843557 432687720 /nfs/dbraw/zinc/68/77/20/432687720.db2.gz QTVFMYJSIKXCMX-DLBZAZTESA-N 1 0 309.425 3.321 10 0 DGAERO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(C)cc1 ZINC000178049195 432689564 /nfs/dbraw/zinc/68/95/64/432689564.db2.gz DPZPJXICHZIABA-KRWDZBQOSA-N 1 0 307.401 3.212 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187861515 432689836 /nfs/dbraw/zinc/68/98/36/432689836.db2.gz KGXHAERSBRGPLM-IUODEOHRSA-N 1 0 308.397 3.090 10 0 DGAERO CC(C)c1ccc(CCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000236641994 432752556 /nfs/dbraw/zinc/75/25/56/432752556.db2.gz FZMIFASRYFVIKO-ROUUACIJSA-N 1 0 302.462 3.376 10 0 DGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(CO)c(F)c1 ZINC000178566686 432753458 /nfs/dbraw/zinc/75/34/58/432753458.db2.gz ICPYUGSAQWHMOE-IBGZPJMESA-N 1 0 315.388 3.494 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@H](C)C(C)C)ccc1S(C)(=O)=O ZINC000178580500 432753886 /nfs/dbraw/zinc/75/38/86/432753886.db2.gz HMNDWFOAPXYHTQ-QWHCGFSZSA-N 1 0 313.463 3.041 10 0 DGAERO OCc1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cc1F ZINC000178566206 432754605 /nfs/dbraw/zinc/75/46/05/432754605.db2.gz FSMAJZRTQWUIOJ-SFHVURJKSA-N 1 0 317.429 3.438 10 0 DGAERO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178580608 432755758 /nfs/dbraw/zinc/75/57/58/432755758.db2.gz RMJNBUAQZAVWQW-NEPJUHHUSA-N 1 0 301.427 3.172 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(Cc2ccccc2F)CC1 ZINC000188480416 432727237 /nfs/dbraw/zinc/72/72/37/432727237.db2.gz ARLIROQRJZZPME-INIZCTEOSA-N 1 0 318.436 3.091 10 0 DGAERO C[C@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)o1 ZINC000275544345 432729431 /nfs/dbraw/zinc/72/94/31/432729431.db2.gz MXVXYNCQDKWJJF-GUSZCTEKSA-N 1 0 315.417 3.146 10 0 DGAERO Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc(C)c1Br ZINC000232036727 432734809 /nfs/dbraw/zinc/73/48/09/432734809.db2.gz PBYRAZMZFHZKNF-MNOVXSKESA-N 1 0 311.223 3.132 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)cc1F ZINC000178445001 432738277 /nfs/dbraw/zinc/73/82/77/432738277.db2.gz AZQXZSBQCKKCCK-MLGOLLRUSA-N 1 0 319.376 3.227 10 0 DGAERO CN(Cc1ccc(Cl)s1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234306256 432739699 /nfs/dbraw/zinc/73/96/99/432739699.db2.gz ACXHZRUMMZIVGF-GFCCVEGCSA-N 1 0 300.855 3.138 10 0 DGAERO CCCC1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000154208708 292673616 /nfs/dbraw/zinc/67/36/16/292673616.db2.gz ZZFLSEIUGXUOTL-MRXNPFEDSA-N 1 0 307.482 3.227 10 0 DGAERO C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1C ZINC000178472484 432741021 /nfs/dbraw/zinc/74/10/21/432741021.db2.gz QWECGFDUBADRBM-HZPDHXFCSA-N 1 0 315.461 3.222 10 0 DGAERO COc1ccc(CC[NH2+][C@@H](C)c2cn(C)nc2C)c(Cl)c1 ZINC000178473076 432741205 /nfs/dbraw/zinc/74/12/05/432741205.db2.gz SZDRYEJAXBLFFW-NSHDSACASA-N 1 0 307.825 3.284 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)ccc1F ZINC000245511136 432839056 /nfs/dbraw/zinc/83/90/56/432839056.db2.gz XPBBMNKHDWZJMG-LIXBPZJASA-N 1 0 301.361 3.143 10 0 DGAERO CS[C@H](C)CC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162314704 432820688 /nfs/dbraw/zinc/82/06/88/432820688.db2.gz UTHBTMOTWXVXLY-QAPCUYQASA-N 1 0 320.502 3.299 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C/C=C/c2ccc(F)cc2)[C@@H](C)C1 ZINC000245416552 432827930 /nfs/dbraw/zinc/82/79/30/432827930.db2.gz IJDFIOULZMYFBW-PWSDSBMBSA-N 1 0 318.436 3.418 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000245414559 432827937 /nfs/dbraw/zinc/82/79/37/432827937.db2.gz DNJJVNQOZYNYSP-ZWKOTPCHSA-N 1 0 315.461 3.263 10 0 DGAERO CN(C)C(=O)C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000162597413 432828144 /nfs/dbraw/zinc/82/81/44/432828144.db2.gz TWAVLULIFUAGRP-UHFFFAOYSA-N 1 0 323.440 3.049 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000245414558 432828485 /nfs/dbraw/zinc/82/84/85/432828485.db2.gz DNJJVNQOZYNYSP-QZTJIDSGSA-N 1 0 315.461 3.263 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000245426976 432829151 /nfs/dbraw/zinc/82/91/51/432829151.db2.gz GWUOHDKATSTUOU-YOEHRIQHSA-N 1 0 306.425 3.262 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(SC)c1 ZINC000245429981 432829672 /nfs/dbraw/zinc/82/96/72/432829672.db2.gz LFVXSKLUWSLFHU-CABCVRRESA-N 1 0 319.474 3.499 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(SC)c1 ZINC000245429982 432829677 /nfs/dbraw/zinc/82/96/77/432829677.db2.gz LFVXSKLUWSLFHU-GJZGRUSLSA-N 1 0 319.474 3.499 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2ccccc2)o1 ZINC000245424758 432829745 /nfs/dbraw/zinc/82/97/45/432829745.db2.gz KGPQDFNDRJNXLO-IRXDYDNUSA-N 1 0 311.429 3.400 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)ccc1OC ZINC000245435393 432830342 /nfs/dbraw/zinc/83/03/42/432830342.db2.gz SRTZBPBHPSHLAS-CABCVRRESA-N 1 0 317.433 3.094 10 0 DGAERO C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000245439336 432830885 /nfs/dbraw/zinc/83/08/85/432830885.db2.gz ZLTIQJMXAFRKIZ-UWVAXJGDSA-N 1 0 324.468 3.468 10 0 DGAERO CSc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000245445405 432832454 /nfs/dbraw/zinc/83/24/54/432832454.db2.gz KITZNZIOQBZRRO-CVEARBPZSA-N 1 0 318.486 3.496 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000245479261 432835797 /nfs/dbraw/zinc/83/57/97/432835797.db2.gz WHLAFNPDONZLIQ-IAGOWNOFSA-N 1 0 317.477 3.047 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000245499808 432837648 /nfs/dbraw/zinc/83/76/48/432837648.db2.gz YWTCULCGLKLSST-SUMWQHHRSA-N 1 0 317.433 3.083 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000178897271 432786587 /nfs/dbraw/zinc/78/65/87/432786587.db2.gz RZIRUMACJKVAPQ-LESCRADOSA-N 1 0 319.493 3.223 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000178952105 432790552 /nfs/dbraw/zinc/79/05/52/432790552.db2.gz IMJPCAKOXCURGX-MJGOQNOKSA-N 1 0 322.456 3.421 10 0 DGAERO CCc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1F ZINC000178974527 432792935 /nfs/dbraw/zinc/79/29/35/432792935.db2.gz JITHIALETQYCSX-UHFFFAOYSA-N 1 0 319.424 3.384 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCCCCc1ccc(F)cc1 ZINC000189494750 432793469 /nfs/dbraw/zinc/79/34/69/432793469.db2.gz OEACKWQZAKKVDU-KRWDZBQOSA-N 1 0 306.425 3.139 10 0 DGAERO Cc1ccc2cc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)ccc2n1 ZINC000189512499 432794629 /nfs/dbraw/zinc/79/46/29/432794629.db2.gz SRCQBAILJLIGHM-QGZVFWFLSA-N 1 0 321.428 3.047 10 0 DGAERO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC000189518979 432795423 /nfs/dbraw/zinc/79/54/23/432795423.db2.gz CWGPCDUTPCIXBL-KGLIPLIRSA-N 1 0 308.495 3.237 10 0 DGAERO C[C@@H]1CCC[C@H](OCCCCCC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000161786507 432798071 /nfs/dbraw/zinc/79/80/71/432798071.db2.gz SAWWZTUFOOQWAJ-SQNIBIBYSA-N 1 0 324.509 3.353 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccs1 ZINC000179035153 432798436 /nfs/dbraw/zinc/79/84/36/432798436.db2.gz WFBXTALFYCQOPT-UONOGXRCSA-N 1 0 309.479 3.229 10 0 DGAERO Cc1c2ccccc2oc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237800262 432800665 /nfs/dbraw/zinc/80/06/65/432800665.db2.gz KLMPTEDZZXFMDT-BPUTZDHNSA-N 1 0 312.413 3.278 10 0 DGAERO Cc1csc([C@H]2CCCN(C(=O)CCCCCC[NH3+])C2)n1 ZINC000237819089 432801127 /nfs/dbraw/zinc/80/11/27/432801127.db2.gz HUYCGNVQVGDLPP-AWEZNQCLSA-N 1 0 309.479 3.067 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000189571262 432801184 /nfs/dbraw/zinc/80/11/84/432801184.db2.gz QNIMXIAUTICYAT-UONOGXRCSA-N 1 0 313.401 3.158 10 0 DGAERO [NH3+][C@@H](CC(=O)NCc1ccccc1OC1CCC1)c1ccccc1 ZINC000237891802 432803104 /nfs/dbraw/zinc/80/31/04/432803104.db2.gz XPAMPPZHJBQXKN-SFHVURJKSA-N 1 0 324.424 3.324 10 0 DGAERO CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC(C)(C)O1)c1ccccc1 ZINC000189607566 432803432 /nfs/dbraw/zinc/80/34/32/432803432.db2.gz YEDOWBLJQHQTEY-IAGOWNOFSA-N 1 0 318.461 3.143 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000237917306 432804380 /nfs/dbraw/zinc/80/43/80/432804380.db2.gz IROLSHRIUQCVTC-XYJFISCASA-N 1 0 300.446 3.130 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCCn1ccnc1C ZINC000162955075 432838734 /nfs/dbraw/zinc/83/87/34/432838734.db2.gz RQGMMQKNQIZEFF-QGZVFWFLSA-N 1 0 315.465 3.159 10 0 DGAERO CCc1cccc(CN2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000189670857 432808460 /nfs/dbraw/zinc/80/84/60/432808460.db2.gz CSHSGLMOKYBHHE-HNNXBMFYSA-N 1 0 315.442 3.309 10 0 DGAERO Fc1ccccc1NC1CCN(CCC[NH+]2CCCC2)CC1 ZINC000162027265 432808466 /nfs/dbraw/zinc/80/84/66/432808466.db2.gz MTEZHOWBKITTSD-UHFFFAOYSA-N 1 0 305.441 3.188 10 0 DGAERO Fc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1Cl ZINC000162033139 432809178 /nfs/dbraw/zinc/80/91/78/432809178.db2.gz BVDGQFNQVBNQNI-CYBMUJFWSA-N 1 0 320.799 3.028 10 0 DGAERO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000189675636 432810958 /nfs/dbraw/zinc/81/09/58/432810958.db2.gz KLDQYUVOVVSNQD-QGZVFWFLSA-N 1 0 322.474 3.197 10 0 DGAERO COc1cc2c(c(C[NH2+]C[C@@H]3CCC(C)(C)O3)c1)O[C@H](C)C2 ZINC000189721019 432812820 /nfs/dbraw/zinc/81/28/20/432812820.db2.gz UAHKYCFGPIOORP-DOMZBBRYSA-N 1 0 305.418 3.066 10 0 DGAERO Cc1cc([C@H]2CN(CCC[NH+]3CCCCC3)CCO2)ccc1F ZINC000162159084 432815110 /nfs/dbraw/zinc/81/51/10/432815110.db2.gz YEHXTXWOOOINDO-LJQANCHMSA-N 1 0 320.452 3.383 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cc(-c3ccccc3)n[nH]1)CC2 ZINC000245760699 432861299 /nfs/dbraw/zinc/86/12/99/432861299.db2.gz PPUYAOONHMQEFX-QFBILLFUSA-N 1 0 311.429 3.204 10 0 DGAERO CCC[C@H](C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C)[NH+](C)C ZINC000245752852 432861480 /nfs/dbraw/zinc/86/14/80/432861480.db2.gz GZMBPUAHGDESIQ-FRFSOERESA-N 1 0 306.425 3.260 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1nnc(-c2ccccc2)o1 ZINC000245777387 432862895 /nfs/dbraw/zinc/86/28/95/432862895.db2.gz PYVMEFOKDZVRCD-XZDPQHSOSA-N 1 0 313.401 3.345 10 0 DGAERO CC1(C)[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H]2CCCO[C@H]21 ZINC000245829005 432864442 /nfs/dbraw/zinc/86/44/42/432864442.db2.gz BIHVXBXQAWSBQW-FSPWUOQZSA-N 1 0 313.445 3.289 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(F)c1 ZINC000245804022 432864474 /nfs/dbraw/zinc/86/44/74/432864474.db2.gz ZVMJFBKFPGRCLS-STQMWFEESA-N 1 0 310.800 3.178 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@H]2CCCO[C@H]21 ZINC000245853249 432864892 /nfs/dbraw/zinc/86/48/92/432864892.db2.gz GQERNUMODHIOHB-KBAYOESNSA-N 1 0 311.429 3.166 10 0 DGAERO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000245895073 432868294 /nfs/dbraw/zinc/86/82/94/432868294.db2.gz SGULIFACVSSKRX-GOEBONIOSA-N 1 0 308.853 3.265 10 0 DGAERO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000245940925 432871494 /nfs/dbraw/zinc/87/14/94/432871494.db2.gz UJSJVXFVDVEVNW-MAUKXSAKSA-N 1 0 313.445 3.468 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2c(C)nn(C)c2C)C12CCCC2 ZINC000245935784 432871701 /nfs/dbraw/zinc/87/17/01/432871701.db2.gz TYRYNROXWKKORT-FSPWUOQZSA-N 1 0 319.493 3.295 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C)c1F ZINC000245947110 432872862 /nfs/dbraw/zinc/87/28/62/432872862.db2.gz VVISLWLRKXLXDC-KBPBESRZSA-N 1 0 305.397 3.225 10 0 DGAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000245943153 432872907 /nfs/dbraw/zinc/87/29/07/432872907.db2.gz VGZBRAINQGFPLC-GDAAHCPNSA-N 1 0 314.473 3.306 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1OC ZINC000246005928 432874520 /nfs/dbraw/zinc/87/45/20/432874520.db2.gz HHBNBNOMOKMJBH-GJZGRUSLSA-N 1 0 317.433 3.094 10 0 DGAERO C[C@@H]1CCC[C@@H](CC[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)C1 ZINC000245523942 432840290 /nfs/dbraw/zinc/84/02/90/432840290.db2.gz NHWHIAPPZZTKOU-HSALFYBXSA-N 1 0 321.553 3.305 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000245561358 432845396 /nfs/dbraw/zinc/84/53/96/432845396.db2.gz KHISVYYJICAZPX-XHSDSOJGSA-N 1 0 311.466 3.103 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCC[C@@H]1C)CC2 ZINC000245583582 432847244 /nfs/dbraw/zinc/84/72/44/432847244.db2.gz AAMAGMJZCXEHGY-VVLHAWIVSA-N 1 0 307.482 3.222 10 0 DGAERO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)s1 ZINC000245589343 432848281 /nfs/dbraw/zinc/84/82/81/432848281.db2.gz GAVWDECFGIRHFG-OJDYBEQGSA-N 1 0 324.490 3.105 10 0 DGAERO CC(C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245628607 432851673 /nfs/dbraw/zinc/85/16/73/432851673.db2.gz HEMOSVQXVVAIJV-UAGQMJEPSA-N 1 0 303.450 3.166 10 0 DGAERO CSC[C@H](C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163423577 432852028 /nfs/dbraw/zinc/85/20/28/432852028.db2.gz WDEAJZNNPUVQEX-YJBOKZPZSA-N 1 0 320.502 3.156 10 0 DGAERO C[N@H+](Cc1nc2ccccc2s1)[C@H]1Cc2ccccc2[C@H]1O ZINC000245666776 432853887 /nfs/dbraw/zinc/85/38/87/432853887.db2.gz BNJSSRQVPXSRJT-MAUKXSAKSA-N 1 0 310.422 3.386 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC=CCC2)[C@H]1c1ccccc1 ZINC000245673528 432854198 /nfs/dbraw/zinc/85/41/98/432854198.db2.gz SPLIEMRYOCEJHX-RYQLBKOJSA-N 1 0 313.445 3.087 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(Cl)c1 ZINC000245679125 432855060 /nfs/dbraw/zinc/85/50/60/432855060.db2.gz GHMWPKNYEHHMLF-CVEARBPZSA-N 1 0 321.852 3.108 10 0 DGAERO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c(Cl)cc1F ZINC000163508115 432855132 /nfs/dbraw/zinc/85/51/32/432855132.db2.gz VHEDWFAWCMSSNB-NSHDSACASA-N 1 0 312.816 3.249 10 0 DGAERO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(Cl)c1OC ZINC000245711018 432858191 /nfs/dbraw/zinc/85/81/91/432858191.db2.gz GAUKMRSDKGDWJS-JSGCOSHPSA-N 1 0 324.852 3.026 10 0 DGAERO CCCCOc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000245733006 432859248 /nfs/dbraw/zinc/85/92/48/432859248.db2.gz KBUOSNFQNCYRRD-KRWDZBQOSA-N 1 0 318.461 3.154 10 0 DGAERO CCCOc1c(CN2CC[N@@H+]3CCC[C@H]3C2)cccc1OCC ZINC000245728722 432859455 /nfs/dbraw/zinc/85/94/55/432859455.db2.gz JICPKPIIVXIWNE-KRWDZBQOSA-N 1 0 318.461 3.154 10 0 DGAERO CN(C)c1ncccc1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000154792976 292690333 /nfs/dbraw/zinc/69/03/33/292690333.db2.gz MMBJGDIOIBPZGY-KRWDZBQOSA-N 1 0 313.470 3.268 10 0 DGAERO CC[C@@H]1CCN1Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000330277671 432902229 /nfs/dbraw/zinc/90/22/29/432902229.db2.gz OPBCHSZZUGXVJA-GHMZBOCLSA-N 1 0 316.474 3.383 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279663267 432988969 /nfs/dbraw/zinc/98/89/69/432988969.db2.gz DOTVHWHSYQJUMM-ILXRZTDVSA-N 1 0 319.449 3.378 10 0 DGAERO C[C@H]1C[C@@H](C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC[N@@H+]1C ZINC000279344384 432957207 /nfs/dbraw/zinc/95/72/07/432957207.db2.gz DTINCQZZLGEEMP-AAEUAGOBSA-N 1 0 313.401 3.374 10 0 DGAERO CC(C)c1ncsc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333260535 433044757 /nfs/dbraw/zinc/04/47/57/433044757.db2.gz DVIWIALMXJLVSC-UHFFFAOYSA-N 1 0 322.478 3.264 10 0 DGAERO c1c(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)nc2ncccn12 ZINC000298053017 433045248 /nfs/dbraw/zinc/04/52/48/433045248.db2.gz IYPSLIFWYGVWQW-DLBZAZTESA-N 1 0 306.413 3.230 10 0 DGAERO O=C(Nc1csc2ccccc12)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333123150 433035046 /nfs/dbraw/zinc/03/50/46/433035046.db2.gz GWEFYNPJHUVDTD-JHJVBQTASA-N 1 0 315.442 3.411 10 0 DGAERO Cc1cc(Cl)cnc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333254548 433043811 /nfs/dbraw/zinc/04/38/11/433043811.db2.gz CYODGAAJRDHYDH-UHFFFAOYSA-N 1 0 322.840 3.041 10 0 DGAERO CN(C)c1ncc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)n1C ZINC000419708934 433068008 /nfs/dbraw/zinc/06/80/08/433068008.db2.gz IOIHNBSNVJZJOF-AAEUAGOBSA-N 1 0 318.387 3.087 10 0 DGAERO CN(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cccc(F)c1 ZINC000245936588 289365379 /nfs/dbraw/zinc/36/53/79/289365379.db2.gz UBCMGPKEKLWBGC-BSDSXHPESA-N 1 0 320.452 3.222 10 0 DGAERO CC[C@@H]([NH2+][C@@H](C)Cc1c(OC)cc(OC)cc1OC)C1CC1 ZINC000453315301 433085083 /nfs/dbraw/zinc/08/50/83/433085083.db2.gz YAIFTFQTWZJAEB-BLLLJJGKSA-N 1 0 307.434 3.422 10 0 DGAERO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCCC23CCC3)cc1 ZINC000373106076 433091032 /nfs/dbraw/zinc/09/10/32/433091032.db2.gz FMCLNZIMPXDNMS-UHFFFAOYSA-N 1 0 307.459 3.177 10 0 DGAERO O=C(C[N@@H+]1CCCC12CCC2)Nc1ccc(N2CCCC2)cc1 ZINC000373096129 433092867 /nfs/dbraw/zinc/09/28/67/433092867.db2.gz WUYGQJUBBJQMBF-UHFFFAOYSA-N 1 0 313.445 3.244 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2O)c2ccccc2C1 ZINC000373120421 433096500 /nfs/dbraw/zinc/09/65/00/433096500.db2.gz GCSANBHNHGOWJN-LJQANCHMSA-N 1 0 324.424 3.018 10 0 DGAERO Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCn3c(C)ncc3C2)o1 ZINC000290632295 433121326 /nfs/dbraw/zinc/12/13/26/433121326.db2.gz YSIWJIVZGULGKE-HOCLYGCPSA-N 1 0 313.401 3.019 10 0 DGAERO COc1cc(C)cc(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000373219307 433135183 /nfs/dbraw/zinc/13/51/83/433135183.db2.gz JXYFIMUKZNEESB-OAHLLOKOSA-N 1 0 317.433 3.014 10 0 DGAERO COC[C@H]([NH2+]CCCc1ccc(OC)c(OC)c1)C1CCCC1 ZINC000446756957 433101177 /nfs/dbraw/zinc/10/11/77/433101177.db2.gz OQMRHGBJYKDHGA-KRWDZBQOSA-N 1 0 321.461 3.431 10 0 DGAERO c1ccc(CN2CCC[C@H]([NH2+]CCCC3CCOCC3)C2)cc1 ZINC000361432306 433170042 /nfs/dbraw/zinc/17/00/42/433170042.db2.gz LRAGHCBIILVLGK-FQEVSTJZSA-N 1 0 316.489 3.447 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000157797270 292753071 /nfs/dbraw/zinc/75/30/71/292753071.db2.gz RNSMSHKLCDXKMW-GOSISDBHSA-N 1 0 321.509 3.473 10 0 DGAERO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000447500976 433206306 /nfs/dbraw/zinc/20/63/06/433206306.db2.gz MXKNFPZTOYWRGM-BBWFWOEESA-N 1 0 324.509 3.208 10 0 DGAERO c1ccc(-c2ccc(CN3CC[NH+](C4CCCC4)CC3)cn2)nc1 ZINC000425383219 433216462 /nfs/dbraw/zinc/21/64/62/433216462.db2.gz KMCMYOOQXNPBMG-UHFFFAOYSA-N 1 0 322.456 3.204 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C(C)C)c3ccccc32)C1 ZINC000447583940 433236371 /nfs/dbraw/zinc/23/63/71/433236371.db2.gz DISKHSGUWCGAKB-JCGIZDLHSA-N 1 0 315.461 3.264 10 0 DGAERO CCC[C@@H](C)C[NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000157959083 292756343 /nfs/dbraw/zinc/75/63/43/292756343.db2.gz NZOLMJRCILSVTI-VQIMIIECSA-N 1 0 320.477 3.094 10 0 DGAERO O[C@@H]1[C@@H](C[NH2+][C@@H]2CCCc3sccc32)CCC12CCOCC2 ZINC000374749865 433271091 /nfs/dbraw/zinc/27/10/91/433271091.db2.gz JTIITASVNHGLQU-FRFSOERESA-N 1 0 321.486 3.283 10 0 DGAERO c1[nH]c(C[NH2+]CCc2cnc(C3CC3)nc2)nc1-c1ccccc1 ZINC000447821856 433290726 /nfs/dbraw/zinc/29/07/26/433290726.db2.gz NTMQRBXNYIHLRN-UHFFFAOYSA-N 1 0 319.412 3.076 10 0 DGAERO CSC1(C[NH2+]Cc2ccn(Cc3ccccc3)n2)CCC1 ZINC000291673542 433309167 /nfs/dbraw/zinc/30/91/67/433309167.db2.gz WOTYXAUEXVVMPQ-UHFFFAOYSA-N 1 0 301.459 3.307 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)c1cccc(F)c1 ZINC000158287968 292765427 /nfs/dbraw/zinc/76/54/27/292765427.db2.gz MGXWAKFGLOUPTN-MRXNPFEDSA-N 1 0 308.441 3.196 10 0 DGAERO c1cc(C[NH2+]C2(C3CCC3)CCC2)cc(CN2CCOCC2)c1 ZINC000420972219 433362835 /nfs/dbraw/zinc/36/28/35/433362835.db2.gz LMUASXZQJOOIFK-UHFFFAOYSA-N 1 0 314.473 3.331 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000361749510 433370990 /nfs/dbraw/zinc/37/09/90/433370990.db2.gz FHUXOXPEJNZODU-HUUCEWRRSA-N 1 0 312.413 3.017 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H]1COCCO1 ZINC000342043247 433428149 /nfs/dbraw/zinc/42/81/49/433428149.db2.gz KGOWEHNJVHRLIK-BLMSOEDDSA-N 1 0 315.335 3.114 10 0 DGAERO CCc1cc(NC2CC[NH+](C3CC3)CC2)nc(-c2ccccn2)n1 ZINC000301153514 433431934 /nfs/dbraw/zinc/43/19/34/433431934.db2.gz BUFFYSUOLBBSOS-UHFFFAOYSA-N 1 0 323.444 3.140 10 0 DGAERO c1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)n(-c2ccccc2)n1 ZINC000448338334 433388057 /nfs/dbraw/zinc/38/80/57/433388057.db2.gz AUXOSDJKCLMPGZ-LJQANCHMSA-N 1 0 311.429 3.263 10 0 DGAERO CCn1nc(C)c([C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c1C ZINC000158707510 292775582 /nfs/dbraw/zinc/77/55/82/292775582.db2.gz LVYVYBZKDBTZRL-LBPRGKRZSA-N 1 0 324.469 3.037 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000375273132 433406366 /nfs/dbraw/zinc/40/63/66/433406366.db2.gz XODZKDMGGLUXBJ-IBGZPJMESA-N 1 0 303.446 3.138 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000375304373 433424131 /nfs/dbraw/zinc/42/41/31/433424131.db2.gz SJYOWEIGTPBXOT-LJQANCHMSA-N 1 0 311.429 3.388 10 0 DGAERO c1cn2cc(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)nc2s1 ZINC000361886992 433438209 /nfs/dbraw/zinc/43/82/09/433438209.db2.gz BNRBJQJIIUWTQT-MELADBBJSA-N 1 0 305.447 3.081 10 0 DGAERO Cc1cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1F ZINC000375399294 433453075 /nfs/dbraw/zinc/45/30/75/433453075.db2.gz AOXWALQEGCNZGR-CQSZACIVSA-N 1 0 301.365 3.384 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000361924910 433455106 /nfs/dbraw/zinc/45/51/06/433455106.db2.gz NPLBHDJSPUBIKE-HNNXBMFYSA-N 1 0 322.412 3.169 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000090943023 290016615 /nfs/dbraw/zinc/01/66/15/290016615.db2.gz OODWPQWTLGNXCL-JBBXEZCESA-N 1 0 317.383 3.456 10 0 DGAERO CC(C)=CCC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000159079164 292783735 /nfs/dbraw/zinc/78/37/35/292783735.db2.gz OHHFUCRIOLADMZ-FUHWJXTLSA-N 1 0 302.462 3.410 10 0 DGAERO CN1C[C@H]([NH2+]C2c3ccccc3CCc3ccccc32)CCC1=O ZINC000180586264 290309120 /nfs/dbraw/zinc/30/91/20/290309120.db2.gz SCCCECQAAWOEJQ-QGZVFWFLSA-N 1 0 320.436 3.085 10 0 DGAERO c1csc(N2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)n1 ZINC000421369973 433516675 /nfs/dbraw/zinc/51/66/75/433516675.db2.gz CVGGFJFPLPDVCM-CYBMUJFWSA-N 1 0 323.531 3.235 10 0 DGAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1sc2ccccc2c1Cl ZINC000282196068 433529246 /nfs/dbraw/zinc/52/92/46/433529246.db2.gz CGDUUIXRWWDEPZ-KOLCDFICSA-N 1 0 308.834 3.311 10 0 DGAERO c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)[nH]nc1-c1ccccc1 ZINC000355202151 433530908 /nfs/dbraw/zinc/53/09/08/433530908.db2.gz BREBBALCLKHSDY-IAGOWNOFSA-N 1 0 311.429 3.325 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c2c(c1)OCCCO2 ZINC000355205780 433534548 /nfs/dbraw/zinc/53/45/48/433534548.db2.gz JUAXQYRHRKGLDY-DOTOQJQBSA-N 1 0 317.429 3.096 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc2c(c1)COC2 ZINC000362127693 433538954 /nfs/dbraw/zinc/53/89/54/433538954.db2.gz BOJURLPJVGJYPK-LIRRHRJNSA-N 1 0 322.408 3.173 10 0 DGAERO C([NH2+][C@H]1CCCC[C@@H]1[C@H]1CCOC1)c1nnc(C2CC2)s1 ZINC000414336353 433549469 /nfs/dbraw/zinc/54/94/69/433549469.db2.gz YZCJWXQPRODTBD-MJBXVCDLSA-N 1 0 307.463 3.100 10 0 DGAERO COCCN(Cc1noc(-c2ccccc2)n1)[C@@H]1CC[C@@H](C)C1 ZINC000362169229 433557824 /nfs/dbraw/zinc/55/78/24/433557824.db2.gz FSWJKBAWXFMNBM-GDBMZVCRSA-N 1 0 315.417 3.374 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)[nH]n1 ZINC000375787353 433562518 /nfs/dbraw/zinc/56/25/18/433562518.db2.gz OPDVZNYPDPOUGK-BLLLJJGKSA-N 1 0 301.438 3.283 10 0 DGAERO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)Cc1ccncc1 ZINC000414358337 433569691 /nfs/dbraw/zinc/56/96/91/433569691.db2.gz BTSAZSGYJPLHNN-AWEZNQCLSA-N 1 0 324.403 3.436 10 0 DGAERO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)C[C@@H]2CC=CCC2)c1 ZINC000362189219 433573962 /nfs/dbraw/zinc/57/39/62/433573962.db2.gz JFXNDERNVIQWNZ-QGZVFWFLSA-N 1 0 321.486 3.447 10 0 DGAERO BrC1=CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000282387383 433589662 /nfs/dbraw/zinc/58/96/62/433589662.db2.gz QYVDISDQKJSNPB-UHFFFAOYSA-N 1 0 322.250 3.166 10 0 DGAERO CCC[C@@H](C(=O)NCC1(c2ccc(F)cc2)CCC1)[NH+](C)C ZINC000161885388 292843485 /nfs/dbraw/zinc/84/34/85/292843485.db2.gz OYKYFMCDRXHMCS-INIZCTEOSA-N 1 0 306.425 3.094 10 0 DGAERO COC[C@@H](O)CC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000090950133 292847301 /nfs/dbraw/zinc/84/73/01/292847301.db2.gz FGYXWXRRBGUYIZ-DOTOQJQBSA-N 1 0 319.445 3.200 10 0 DGAERO C[C@H]([NH2+]CCNC(=O)c1ccccc1)C(C)(C)c1ccccc1 ZINC000162507473 292855190 /nfs/dbraw/zinc/85/51/90/292855190.db2.gz KPGFKQAKTLZLPG-INIZCTEOSA-N 1 0 310.441 3.372 10 0 DGAERO CC[C@@H](CSC)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000163868435 292871894 /nfs/dbraw/zinc/87/18/94/292871894.db2.gz IVHVBYWOILHITN-KBPBESRZSA-N 1 0 316.511 3.365 10 0 DGAERO COc1cc(Br)c(C[NH2+]CC[C@H](C)F)cc1OC ZINC000339486624 433617177 /nfs/dbraw/zinc/61/71/77/433617177.db2.gz TZYJEBBRNVHYKB-VIFPVBQESA-N 1 0 320.202 3.304 10 0 DGAERO COc1cc(Br)c(C[NH2+]CC[C@@H](C)F)cc1OC ZINC000339486620 433617961 /nfs/dbraw/zinc/61/79/61/433617961.db2.gz TZYJEBBRNVHYKB-SECBINFHSA-N 1 0 320.202 3.304 10 0 DGAERO c1c(C[NH2+]CCc2cnc(C3CC3)nc2)[nH]nc1-c1ccccc1 ZINC000339506790 433626002 /nfs/dbraw/zinc/62/60/02/433626002.db2.gz PCTHSMPCVJEOMA-UHFFFAOYSA-N 1 0 319.412 3.076 10 0 DGAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(-c2ccccc2F)s1 ZINC000449007825 433654294 /nfs/dbraw/zinc/65/42/94/433654294.db2.gz FOYMKEJQOIXMAU-FUNVUKJBSA-N 1 0 318.417 3.437 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000449022379 433673149 /nfs/dbraw/zinc/67/31/49/433673149.db2.gz IPKUSOASQNSGQW-HNNXBMFYSA-N 1 0 317.454 3.326 10 0 DGAERO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000376132292 433674815 /nfs/dbraw/zinc/67/48/15/433674815.db2.gz LUVLSCNKOQTTDU-JKSUJKDBSA-N 1 0 321.428 3.249 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cnc(C)s1)CC2 ZINC000339624612 433689734 /nfs/dbraw/zinc/68/97/34/433689734.db2.gz PMAVQZWMDWXGNB-UHFFFAOYSA-N 1 0 300.427 3.255 10 0 DGAERO c1ccc(COc2ccnc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000367013382 293013536 /nfs/dbraw/zinc/01/35/36/293013536.db2.gz NEJMJLAPGKBONH-DLBZAZTESA-N 1 0 324.428 3.094 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000367127343 293028524 /nfs/dbraw/zinc/02/85/24/293028524.db2.gz RXWJDBZJFKFRQZ-CGTJXYLNSA-N 1 0 303.446 3.213 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@@H](O)c1ccccc1)CC2 ZINC000367155298 293031630 /nfs/dbraw/zinc/03/16/30/293031630.db2.gz CISNUWQZLHNGCL-OAQYLSRUSA-N 1 0 323.436 3.414 10 0 DGAERO C[C@H](O)C[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000367196758 293036359 /nfs/dbraw/zinc/03/63/59/293036359.db2.gz UCHPGALEHBPEIQ-LSDHHAIUSA-N 1 0 321.465 3.143 10 0 DGAERO O[C@H](CC[NH+]1CCC(C2CCOCC2)CC1)c1ccccc1 ZINC000367227064 293041006 /nfs/dbraw/zinc/04/10/06/293041006.db2.gz YTSHAQJKYLEBAU-LJQANCHMSA-N 1 0 303.446 3.249 10 0 DGAERO c1cc(-c2nc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)cs2)cs1 ZINC000368221531 293106491 /nfs/dbraw/zinc/10/64/91/293106491.db2.gz IKELQOFKIMAWQN-LLVKDONJSA-N 1 0 316.455 3.242 10 0 DGAERO C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CCCCN1C1CC1 ZINC000370080448 293154066 /nfs/dbraw/zinc/15/40/66/293154066.db2.gz IKMBQAGDPUQZDJ-QXCFHYIPSA-N 1 0 306.494 3.188 10 0 DGAERO c1c2cccnc2oc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000449049817 433707287 /nfs/dbraw/zinc/70/72/87/433707287.db2.gz SFKTYIFNTGYDME-CRAIPNDOSA-N 1 0 311.429 3.277 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1CNC1CC([NH+]2CCCCC2)C1 ZINC000373488374 293281335 /nfs/dbraw/zinc/28/13/35/293281335.db2.gz ZHFSBFGJHFOTIO-UHFFFAOYSA-N 1 0 310.445 3.183 10 0 DGAERO OC[C@@H]1CCCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000374036263 293344758 /nfs/dbraw/zinc/34/47/58/293344758.db2.gz GTNMDHAQRJEJKW-LLVKDONJSA-N 1 0 316.214 3.183 10 0 DGAERO Brc1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cs1 ZINC000374387211 293393778 /nfs/dbraw/zinc/39/37/78/293393778.db2.gz AWZWZDWHMPXJPN-NWDGAFQWSA-N 1 0 316.264 3.369 10 0 DGAERO Brc1cccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374404674 293395637 /nfs/dbraw/zinc/39/56/37/293395637.db2.gz XKTYZVFYIPEPSX-KGLIPLIRSA-N 1 0 310.235 3.308 10 0 DGAERO c1c2cccnc2oc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000449064355 433719678 /nfs/dbraw/zinc/71/96/78/433719678.db2.gz PVAWQUGIXWEJTL-KRWDZBQOSA-N 1 0 307.397 3.192 10 0 DGAERO CC1=CCN(CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449241741 433733127 /nfs/dbraw/zinc/73/31/27/433733127.db2.gz CLJYNSZKSOZFTJ-AWEZNQCLSA-N 1 0 310.363 3.333 10 0 DGAERO c1cn(-c2ccc(C[N@H+]3CCOC[C@H]3CC3CCC3)cc2)cn1 ZINC000339769602 433771393 /nfs/dbraw/zinc/77/13/93/433771393.db2.gz PFYQAPKRLZZYQX-LJQANCHMSA-N 1 0 311.429 3.263 10 0 DGAERO CSc1ccc(NCc2ccc(C[NH+](C)C)c(F)c2)nn1 ZINC000301899544 433783454 /nfs/dbraw/zinc/78/34/54/433783454.db2.gz YDVXKUJKPTVPPL-UHFFFAOYSA-N 1 0 306.410 3.011 10 0 DGAERO Cc1nocc1C[NH2+]CCc1ccc(Br)s1 ZINC000293642864 433811714 /nfs/dbraw/zinc/81/17/14/433811714.db2.gz RUUXHWHVKIFGGA-UHFFFAOYSA-N 1 0 301.209 3.139 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1sc(C)nc1C ZINC000362679957 433820625 /nfs/dbraw/zinc/82/06/25/433820625.db2.gz OHDFXJQTNVKRDR-ZDUSSCGKSA-N 1 0 310.467 3.146 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC23CCC3)C1 ZINC000435617135 433877107 /nfs/dbraw/zinc/87/71/07/433877107.db2.gz MQVAKWOBKDLQAR-GASCZTMLSA-N 1 0 307.482 3.081 10 0 DGAERO c1ccc2c(c1)C[C@H]1C[N@H+](CC[C@@H]3CCCCO3)CCCN21 ZINC000351993317 433843949 /nfs/dbraw/zinc/84/39/49/433843949.db2.gz IDIXXPPSGFIGOS-ROUUACIJSA-N 1 0 300.446 3.083 10 0 DGAERO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000376078946 293610366 /nfs/dbraw/zinc/61/03/66/293610366.db2.gz GERANINOGKXPAN-SJORKVTESA-N 1 0 306.494 3.393 10 0 DGAERO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)C2CCCCC2)C1 ZINC000376086890 293611434 /nfs/dbraw/zinc/61/14/34/293611434.db2.gz WELPWFAPIHEUHT-SUMDDJOVSA-N 1 0 319.493 3.367 10 0 DGAERO CC[N@H+](CCC1CCN(Cc2ncc(C)cn2)CC1)CC1CC1 ZINC000357084844 433857473 /nfs/dbraw/zinc/85/74/73/433857473.db2.gz MTEXLRWTFDOIHF-UHFFFAOYSA-N 1 0 316.493 3.119 10 0 DGAERO C[NH+]1CCC(CC(=O)NC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000362795158 433862800 /nfs/dbraw/zinc/86/28/00/433862800.db2.gz PNAQBNPZLBZRKW-UHFFFAOYSA-N 1 0 306.837 3.177 10 0 DGAERO c1ccc2cc(OCCCN3CCC4(CC[NH2+]4)CC3)ccc2c1 ZINC000422637160 433935565 /nfs/dbraw/zinc/93/55/65/433935565.db2.gz ODCLHWMRCDOVJH-UHFFFAOYSA-N 1 0 310.441 3.437 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000377561693 433914642 /nfs/dbraw/zinc/91/46/42/433914642.db2.gz JANHEHOPBSTKDN-MDNBWPLSSA-N 1 0 318.848 3.345 10 0 DGAERO C[S@](=O)C1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCC1 ZINC000436304232 433934044 /nfs/dbraw/zinc/93/40/44/433934044.db2.gz XUMBDFPDGPAZRD-YHEJKZAPSA-N 1 0 321.486 3.045 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000377415018 433878859 /nfs/dbraw/zinc/87/88/59/433878859.db2.gz WYSWNCATUAWSNR-GUYCJALGSA-N 1 0 309.413 3.303 10 0 DGAERO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1ccc(Cl)c(F)c1 ZINC000457048900 433949268 /nfs/dbraw/zinc/94/92/68/433949268.db2.gz DXWXUJUPMFPDRL-UHFFFAOYSA-N 1 0 312.816 3.012 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1nccc2ccccc21 ZINC000363040671 433955019 /nfs/dbraw/zinc/95/50/19/433955019.db2.gz AMYZNNUGOFZBQD-SJORKVTESA-N 1 0 323.440 3.324 10 0 DGAERO CC1(C)CCC[N@@H+]1CCNC(=O)CC/C=C\c1ccccc1 ZINC000457051316 433955878 /nfs/dbraw/zinc/95/58/78/433955878.db2.gz HSNNBZZEMCCLLB-WDZFZDKYSA-N 1 0 300.446 3.471 10 0 DGAERO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c(Br)c1 ZINC000285457295 433956285 /nfs/dbraw/zinc/95/62/85/433956285.db2.gz MVGUXWWZRMSMLS-IINYFYTJSA-N 1 0 314.223 3.115 10 0 DGAERO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c(Br)c1 ZINC000285457292 433957623 /nfs/dbraw/zinc/95/76/23/433957623.db2.gz MVGUXWWZRMSMLS-HZMBPMFUSA-N 1 0 314.223 3.115 10 0 DGAERO CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000457059036 433958981 /nfs/dbraw/zinc/95/89/81/433958981.db2.gz WKOAPXVVFFHYKA-DZGCQCFKSA-N 1 0 322.399 3.059 10 0 DGAERO COc1ccc(C[NH2+]CCOCc2ccc(Cl)cc2)cn1 ZINC000436414308 433962951 /nfs/dbraw/zinc/96/29/51/433962951.db2.gz RWUYAAHRWWPFEG-UHFFFAOYSA-N 1 0 306.793 3.050 10 0 DGAERO CC(C)[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C[C@H](C)O ZINC000303974820 433976728 /nfs/dbraw/zinc/97/67/28/433976728.db2.gz BAGLIXUASCUZHN-JTQLQIEISA-N 1 0 319.232 3.023 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)Cc2csc3ccccc23)CC[N@@H+]1C ZINC000357383831 433983652 /nfs/dbraw/zinc/98/36/52/433983652.db2.gz FAPAYHMZAAVGNV-JSGCOSHPSA-N 1 0 302.443 3.043 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)nn1 ZINC000396575640 293841777 /nfs/dbraw/zinc/84/17/77/293841777.db2.gz ZZNYHCOQKHOVTA-OAHLLOKOSA-N 1 0 318.218 3.325 10 0 DGAERO C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400430712 293864179 /nfs/dbraw/zinc/86/41/79/293864179.db2.gz JWBLDMHYJPMHBA-DGCLKSJQSA-N 1 0 318.408 3.267 10 0 DGAERO C[C@H]([NH2+][C@H]1CSC1(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400361005 293864225 /nfs/dbraw/zinc/86/42/25/293864225.db2.gz QBIYJXXQHVWNAG-AVGNSLFASA-N 1 0 314.495 3.116 10 0 DGAERO CSCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400497567 293864896 /nfs/dbraw/zinc/86/48/96/293864896.db2.gz BHWJBZHDGFABMS-ZIAGYGMSSA-N 1 0 316.511 3.365 10 0 DGAERO c1csc(-c2nc(C[NH2+][C@H]3CCc4nc[nH]c4C3)cs2)c1 ZINC000377779981 433995454 /nfs/dbraw/zinc/99/54/54/433995454.db2.gz MXSQVAWNUQKOLQ-JTQLQIEISA-N 1 0 316.455 3.242 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NCc1cc(Cl)ccc1Br ZINC000414952703 293892599 /nfs/dbraw/zinc/89/25/99/293892599.db2.gz IRDYJQAJBRXDSJ-RNCFNFMXSA-N 1 0 317.658 3.190 10 0 DGAERO c1cc2c(ncnc2N2CCC[C@H]2c2ccc3c(c2)OCO3)[nH]1 ZINC000363471808 434067656 /nfs/dbraw/zinc/06/76/56/434067656.db2.gz RNGSJDFUMZHKQO-ZDUSSCGKSA-N 1 0 308.341 3.028 10 0 DGAERO c1ccc(OCCCCN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000357560149 434075894 /nfs/dbraw/zinc/07/58/94/434075894.db2.gz QZSHLUOWNZEACL-SFHVURJKSA-N 1 0 302.462 3.406 10 0 DGAERO COc1ccc(Br)c(C[NH2+]CCOC(C)(C)C)c1 ZINC000308715865 434090897 /nfs/dbraw/zinc/09/08/97/434090897.db2.gz BDGZPOHPPGXQIJ-UHFFFAOYSA-N 1 0 316.239 3.362 10 0 DGAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000309541749 434097114 /nfs/dbraw/zinc/09/71/14/434097114.db2.gz MEMIBJOEJHAMSJ-RDJZCZTQSA-N 1 0 300.446 3.203 10 0 DGAERO Cc1cccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309728730 434098473 /nfs/dbraw/zinc/09/84/73/434098473.db2.gz QUYAVQHXEYLCSU-PKOBYXMFSA-N 1 0 309.457 3.390 10 0 DGAERO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1c(F)cccc1Br ZINC000357612001 434099841 /nfs/dbraw/zinc/09/98/41/434099841.db2.gz UCMCZBMCMLUGGC-WDEREUQCSA-N 1 0 315.230 3.113 10 0 DGAERO CC(=O)Nc1cccc(C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000363446809 434057859 /nfs/dbraw/zinc/05/78/59/434057859.db2.gz PDZXMNUTUZPINI-UHFFFAOYSA-N 1 0 309.413 3.420 10 0 DGAERO C[C@H]1[C@@H](NC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000309844442 434103346 /nfs/dbraw/zinc/10/33/46/434103346.db2.gz XMCMPADWYFOUTC-YJBOKZPZSA-N 1 0 315.461 3.281 10 0 DGAERO CC1(C)COC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000313048946 434119234 /nfs/dbraw/zinc/11/92/34/434119234.db2.gz ZBTQLCHWORCDTE-UONOGXRCSA-N 1 0 310.235 3.451 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000313061365 434120467 /nfs/dbraw/zinc/12/04/67/434120467.db2.gz IELSOONIWLTZNC-LBPRGKRZSA-N 1 0 302.187 3.103 10 0 DGAERO CCOc1cccc(CC[NH2+][C@@H](CC)C2(C(=O)OC)CCC2)c1 ZINC000498799808 294070963 /nfs/dbraw/zinc/07/09/63/294070963.db2.gz JSTDEEOOVOXSLH-KRWDZBQOSA-N 1 0 319.445 3.339 10 0 DGAERO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccccc1Br ZINC000313304633 434125945 /nfs/dbraw/zinc/12/59/45/434125945.db2.gz RDVRTWJEEXEGPS-NSHDSACASA-N 1 0 308.223 3.076 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000506900881 294277763 /nfs/dbraw/zinc/27/77/63/294277763.db2.gz HFVGGVCJUGTSBE-JYJNAYRXSA-N 1 0 307.482 3.081 10 0 DGAERO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)c2ccc(C)cc2)C1 ZINC000507375438 294296062 /nfs/dbraw/zinc/29/60/62/294296062.db2.gz BSYNLLIVYMMDIO-DLBZAZTESA-N 1 0 317.477 3.130 10 0 DGAERO CCCC(CCC)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000510961362 294397357 /nfs/dbraw/zinc/39/73/57/294397357.db2.gz VWXLPFZCVYMJCF-KRWDZBQOSA-N 1 0 318.461 3.225 10 0 DGAERO CCCC[C@@H](CC)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511020946 294399000 /nfs/dbraw/zinc/39/90/00/294399000.db2.gz ZIILIELGGIVHAK-IAGOWNOFSA-N 1 0 318.461 3.225 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](CO)CC2CCCC2)c(OC)c1 ZINC000511038320 294399540 /nfs/dbraw/zinc/39/95/40/294399540.db2.gz PNMOULRHQHBPTJ-HIFRSBDPSA-N 1 0 307.434 3.296 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)n[nH]1 ZINC000363753704 434133560 /nfs/dbraw/zinc/13/35/60/434133560.db2.gz WLRLJWQLTJAERB-IBGZPJMESA-N 1 0 321.380 3.301 10 0 DGAERO C[C@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000363792690 434149778 /nfs/dbraw/zinc/14/97/78/434149778.db2.gz XHFRJYIZVUMXSK-BPQIPLTHSA-N 1 0 300.446 3.265 10 0 DGAERO O=C(C[N@@H+]1CCC2(C1)CCCCC2)N1CCc2ccccc2C1 ZINC000357730221 434153551 /nfs/dbraw/zinc/15/35/51/434153551.db2.gz NUJGOFWWWQJFRZ-UHFFFAOYSA-N 1 0 312.457 3.228 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363866673 434170246 /nfs/dbraw/zinc/17/02/46/434170246.db2.gz QMOSNAQCEAYTKP-AYBZRNKSSA-N 1 0 324.472 3.346 10 0 DGAERO Cc1c(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)oc2ccccc12 ZINC000357775534 434170999 /nfs/dbraw/zinc/17/09/99/434170999.db2.gz BEQZMTFDNPKHQL-ZDUSSCGKSA-N 1 0 317.433 3.269 10 0 DGAERO COc1ccc([C@H](C)C[N@@H+]2CCC23CCC(CO)CC3)cc1 ZINC000378447871 434185493 /nfs/dbraw/zinc/18/54/93/434185493.db2.gz IWSUDVSMBWLXDQ-MDCZIUGASA-N 1 0 303.446 3.426 10 0 DGAERO c1cc(-c2ccc(CN3CCC[C@@H]3C[NH+]3CCCCC3)o2)n[nH]1 ZINC000378560165 434220724 /nfs/dbraw/zinc/22/07/24/434220724.db2.gz MTKWFCLJVICATD-OAHLLOKOSA-N 1 0 314.433 3.120 10 0 DGAERO O=C(C[N@@H+]1CCC12CCC2)N1CCC(Cc2ccccc2)CC1 ZINC000357919092 434244929 /nfs/dbraw/zinc/24/49/29/434244929.db2.gz UBXLGSISLCBHCT-UHFFFAOYSA-N 1 0 312.457 3.096 10 0 DGAERO O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000437427636 434262615 /nfs/dbraw/zinc/26/26/15/434262615.db2.gz CESCOZGFRHLIQV-QRTARXTBSA-N 1 0 318.848 3.329 10 0 DGAERO Cc1cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)ccc1Br ZINC000380682113 434264229 /nfs/dbraw/zinc/26/42/29/434264229.db2.gz QTTPAJNTEDIWFH-KGLIPLIRSA-N 1 0 312.251 3.398 10 0 DGAERO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000380828373 434267176 /nfs/dbraw/zinc/26/71/76/434267176.db2.gz IOSNDZDCHZKCJO-YPMHNXCESA-N 1 0 317.260 3.365 10 0 DGAERO CCC[C@H]([NH2+]Cc1c(Br)cnn1C)C1CCC1 ZINC000324858135 434274423 /nfs/dbraw/zinc/27/44/23/434274423.db2.gz ZRTDOJSDLYVIES-LBPRGKRZSA-N 1 0 300.244 3.241 10 0 DGAERO c1cc(-c2ccc(CN3CCC[C@H]3C[NH+]3CCCCC3)o2)n[nH]1 ZINC000378560163 434223322 /nfs/dbraw/zinc/22/33/22/434223322.db2.gz MTKWFCLJVICATD-HNNXBMFYSA-N 1 0 314.433 3.120 10 0 DGAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000382679077 434281413 /nfs/dbraw/zinc/28/14/13/434281413.db2.gz JYCJFOQMXIZORC-OQIJWPOYSA-N 1 0 312.457 3.156 10 0 DGAERO CC[C@H]([NH2+]Cc1c(Br)cnn1C)C1CCCC1 ZINC000382786033 434282392 /nfs/dbraw/zinc/28/23/92/434282392.db2.gz KULJLRICHQTYNA-LBPRGKRZSA-N 1 0 300.244 3.241 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@H]1CCOC1)CCCC2 ZINC000358009353 434282864 /nfs/dbraw/zinc/28/28/64/434282864.db2.gz VNSUQMAUJRTCME-KDOFPFPSSA-N 1 0 301.430 3.405 10 0 DGAERO CCN1CC[C@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000328385998 434283314 /nfs/dbraw/zinc/28/33/14/434283314.db2.gz WQGMMMWMLJLMDP-WFASDCNBSA-N 1 0 311.267 3.064 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000383813205 434287983 /nfs/dbraw/zinc/28/79/83/434287983.db2.gz QAIMCAFWDYPKHZ-NGZCFLSTSA-N 1 0 316.264 3.391 10 0 DGAERO FC(F)(F)c1cn2c(n1)CC[C@H](C[NH2+]Cc1cccs1)C2 ZINC000328642168 434291884 /nfs/dbraw/zinc/29/18/84/434291884.db2.gz QXFHCKAHODCLBG-SNVBAGLBSA-N 1 0 315.364 3.316 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H](C)O1 ZINC000384587917 434295277 /nfs/dbraw/zinc/29/52/77/434295277.db2.gz LXXNFPRQBLDCGI-KKFJDGPESA-N 1 0 302.187 3.244 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000450662121 434323059 /nfs/dbraw/zinc/32/30/59/434323059.db2.gz HMMMIHWFRHEEQT-GTNSWQLSSA-N 1 0 318.442 3.109 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000423274488 434331899 /nfs/dbraw/zinc/33/18/99/434331899.db2.gz MATOSUMRFXJGIM-YOEHRIQHSA-N 1 0 324.424 3.219 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000366218808 434361713 /nfs/dbraw/zinc/36/17/13/434361713.db2.gz NEAOJYXUKPQJHV-VIBAHUMZSA-N 1 0 303.446 3.419 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000358174766 434367050 /nfs/dbraw/zinc/36/70/50/434367050.db2.gz ZGMNDDINERWPNH-UHFFFAOYSA-N 1 0 324.428 3.011 10 0 DGAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000295465157 434374536 /nfs/dbraw/zinc/37/45/36/434374536.db2.gz RCLKYMYBGJRTHQ-FUHWJXTLSA-N 1 0 302.462 3.198 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+]C(c1ccccc1C)c1ccccc1C ZINC000450745386 434381514 /nfs/dbraw/zinc/38/15/14/434381514.db2.gz DXWQINCTAFMNIS-HXUWFJFHSA-N 1 0 311.425 3.322 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+]C(c1ccccc1C)c1ccccc1C ZINC000450745385 434382099 /nfs/dbraw/zinc/38/20/99/434382099.db2.gz DXWQINCTAFMNIS-FQEVSTJZSA-N 1 0 311.425 3.322 10 0 DGAERO COC[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(F)cc1 ZINC000450681304 434334853 /nfs/dbraw/zinc/33/48/53/434334853.db2.gz MCXMHWUCTDNFRP-IBGZPJMESA-N 1 0 316.420 3.235 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[NH2+]CCN2CC=C(C)CC2)c1 ZINC000358139437 434345400 /nfs/dbraw/zinc/34/54/00/434345400.db2.gz NROHJIGTJQZLEL-UHFFFAOYSA-N 1 0 310.445 3.127 10 0 DGAERO CCN1CC[C@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000389222009 434347837 /nfs/dbraw/zinc/34/78/37/434347837.db2.gz FTRKEBZMCLDXDL-ONGXEEELSA-N 1 0 315.280 3.182 10 0 DGAERO CC1(C)[C@@H](O)CC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000389209930 434348957 /nfs/dbraw/zinc/34/89/57/434348957.db2.gz TZTHBUKCTUCXKP-ZDUSSCGKSA-N 1 0 304.217 3.217 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000358146487 434349604 /nfs/dbraw/zinc/34/96/04/434349604.db2.gz XDRUUBJJRQGUBQ-CQSZACIVSA-N 1 0 305.491 3.010 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccncc1Cl ZINC000389867549 434350173 /nfs/dbraw/zinc/35/01/73/434350173.db2.gz MPVZQUKXIJGAEK-RDTXWAMCSA-N 1 0 315.848 3.345 10 0 DGAERO CC(F)(F)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000390235102 434355946 /nfs/dbraw/zinc/35/59/46/434355946.db2.gz KBSVQKAHGRYXIQ-GFCCVEGCSA-N 1 0 307.768 3.105 10 0 DGAERO Cc1cc([C@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)ccc1F ZINC000358162211 434357726 /nfs/dbraw/zinc/35/77/26/434357726.db2.gz GKIBCMUAUHAGGC-HNNXBMFYSA-N 1 0 319.424 3.146 10 0 DGAERO CC(C)n1cncc1C[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000390600411 434359517 /nfs/dbraw/zinc/35/95/17/434359517.db2.gz WHNOIKOIHVSDDT-GOSISDBHSA-N 1 0 312.461 3.218 10 0 DGAERO FC(F)Oc1ccc(Cl)cc1C[NH2+]CC1=CCOCC1 ZINC000397801855 434444941 /nfs/dbraw/zinc/44/49/41/434444941.db2.gz WMMPEAAPYGCCJF-UHFFFAOYSA-N 1 0 303.736 3.378 10 0 DGAERO Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)n1 ZINC000393352037 434392525 /nfs/dbraw/zinc/39/25/25/434392525.db2.gz YIKGFELFFMGCHF-NWDGAFQWSA-N 1 0 312.255 3.241 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353749513 434393196 /nfs/dbraw/zinc/39/31/96/434393196.db2.gz LMFKLEKFJPJNJS-DOTOQJQBSA-N 1 0 322.474 3.387 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1coc(Br)c1 ZINC000393573846 434395823 /nfs/dbraw/zinc/39/58/23/434395823.db2.gz NDNJUNFYTPHILO-UHFFFAOYSA-N 1 0 323.190 3.404 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000394967222 434411547 /nfs/dbraw/zinc/41/15/47/434411547.db2.gz MCLXXPLGCRXFHM-WDEREUQCSA-N 1 0 302.187 3.245 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000366480349 434427360 /nfs/dbraw/zinc/42/73/60/434427360.db2.gz HDLYJRJCBQHYSO-FUHWJXTLSA-N 1 0 322.493 3.106 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366480347 434427376 /nfs/dbraw/zinc/42/73/76/434427376.db2.gz HDLYJRJCBQHYSO-AEFFLSMTSA-N 1 0 322.493 3.106 10 0 DGAERO Cc1nc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)cs1 ZINC000397453049 434437933 /nfs/dbraw/zinc/43/79/33/434437933.db2.gz WOQBIXMYPSOSIT-UHFFFAOYSA-N 1 0 313.467 3.235 10 0 DGAERO O[C@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)COc1cc(Cl)ccc1Cl ZINC000397790215 434441673 /nfs/dbraw/zinc/44/16/73/434441673.db2.gz SGVIYJYDXJQSPB-LYIQGSDWSA-N 1 0 316.228 3.121 10 0 DGAERO C[C@H]1C[C@H](CO)C[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000398743782 434465925 /nfs/dbraw/zinc/46/59/25/434465925.db2.gz NEHKYBVPISBOKW-RYUDHWBXSA-N 1 0 318.244 3.323 10 0 DGAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@@H]2C1 ZINC000398706489 434466542 /nfs/dbraw/zinc/46/65/42/434466542.db2.gz BGLNRPUSPWYCDH-KCQAQPDRSA-N 1 0 310.235 3.042 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCC[NH+](CC)CC ZINC000521570441 294878163 /nfs/dbraw/zinc/87/81/63/294878163.db2.gz JHTLQYFZTOEOFN-QGZVFWFLSA-N 1 0 320.477 3.425 10 0 DGAERO C[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400516224 434487024 /nfs/dbraw/zinc/48/70/24/434487024.db2.gz GKESHQRRVKCBAX-NWDGAFQWSA-N 1 0 306.397 3.267 10 0 DGAERO C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400705771 434491008 /nfs/dbraw/zinc/49/10/08/434491008.db2.gz CPUIODLRINQVPQ-MNOVXSKESA-N 1 0 310.360 3.174 10 0 DGAERO C[C@H](O)CC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000450940496 434494452 /nfs/dbraw/zinc/49/44/52/434494452.db2.gz OBQNJTDNNOSUDC-FZMZJTMJSA-N 1 0 305.315 3.347 10 0 DGAERO CC(C)[N@@H+]1CC[C@@H](N(C)c2ncnc3c4ccccc4oc32)C1 ZINC000450950420 434497762 /nfs/dbraw/zinc/49/77/62/434497762.db2.gz MQVURMQRHODQRT-CYBMUJFWSA-N 1 0 310.401 3.295 10 0 DGAERO C[C@H](O)CC[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000450946034 434497959 /nfs/dbraw/zinc/49/79/59/434497959.db2.gz XUFIHYINNSIBSM-AWEZNQCLSA-N 1 0 301.455 3.488 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000423648152 434503506 /nfs/dbraw/zinc/50/35/06/434503506.db2.gz RJFBRLDUQCCSNL-KWQFWETISA-N 1 0 319.257 3.034 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)NC2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000398056235 434452810 /nfs/dbraw/zinc/45/28/10/434452810.db2.gz DZBVFOMJFBXQES-QAPCUYQASA-N 1 0 315.461 3.281 10 0 DGAERO CC(=O)c1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000450961089 434506486 /nfs/dbraw/zinc/50/64/86/434506486.db2.gz OMWOFVNKRNSNNC-INIZCTEOSA-N 1 0 311.385 3.139 10 0 DGAERO C[NH+]1CCC2(CCCN(C(=O)c3ccoc3C3CC3)C2)CC1 ZINC000366850232 434523677 /nfs/dbraw/zinc/52/36/77/434523677.db2.gz KSUDDRWQMXIOFV-UHFFFAOYSA-N 1 0 302.418 3.105 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407248273 434528023 /nfs/dbraw/zinc/52/80/23/434528023.db2.gz CZYPGXHNKWWWEM-UONOGXRCSA-N 1 0 323.234 3.227 10 0 DGAERO COc1ccc([C@H]2CCCN2Cc2ccnc(C)n2)c(OC)c1 ZINC000366880017 434530043 /nfs/dbraw/zinc/53/00/43/434530043.db2.gz OYIGKSJPXMHVRC-QGZVFWFLSA-N 1 0 313.401 3.139 10 0 DGAERO CCn1cncc1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000417817814 434530996 /nfs/dbraw/zinc/53/09/96/434530996.db2.gz VLNNVXSJCVLLBS-LJQANCHMSA-N 1 0 313.445 3.165 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000360159790 434535038 /nfs/dbraw/zinc/53/50/38/434535038.db2.gz ASCIKDVECTYCBG-SFHVURJKSA-N 1 0 318.436 3.439 10 0 DGAERO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3C[C@H](O)C(C)(C)C)nc2c1 ZINC000451018569 434535272 /nfs/dbraw/zinc/53/52/72/434535272.db2.gz PTWQTKGOQLALDF-CVEARBPZSA-N 1 0 301.434 3.415 10 0 DGAERO Cc1nc([C@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cs1 ZINC000408099433 434542844 /nfs/dbraw/zinc/54/28/44/434542844.db2.gz LGVVPEWVYYVMJD-JTQLQIEISA-N 1 0 324.494 3.121 10 0 DGAERO O=C(NCCCC1CC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000524562926 294979172 /nfs/dbraw/zinc/97/91/72/294979172.db2.gz QZBQZWFYGFLNFW-SFHVURJKSA-N 1 0 315.461 3.313 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1Cl ZINC000408206615 434552122 /nfs/dbraw/zinc/55/21/22/434552122.db2.gz BWGCBLSOUCMKKK-QWRGUYRKSA-N 1 0 323.824 3.099 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CCCCCC2)C1 ZINC000459005282 434555236 /nfs/dbraw/zinc/55/52/36/434555236.db2.gz GECAYAKKTJJIQQ-IAGOWNOFSA-N 1 0 307.482 3.083 10 0 DGAERO Cc1oc2nc(C[N@@H+]3CCC[C@H]3C(C)(C)C)nc(N)c2c1C ZINC000408361559 434565736 /nfs/dbraw/zinc/56/57/36/434565736.db2.gz HOGPNPKHVBNEKP-LBPRGKRZSA-N 1 0 302.422 3.432 10 0 DGAERO Cc1ccc(-c2noc(C[N@H+]3CC[C@H](C)C[C@@H]3[C@@H](C)O)n2)cc1 ZINC000525957270 295045585 /nfs/dbraw/zinc/04/55/85/295045585.db2.gz IOSZTEMPRPXUMH-SQWLQELKSA-N 1 0 315.417 3.026 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccsc2Br)[C@H](C)O1 ZINC000527720654 295120766 /nfs/dbraw/zinc/12/07/66/295120766.db2.gz OZJNAOKJFSOZIV-YWVKMMECSA-N 1 0 304.253 3.414 10 0 DGAERO O=C(CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)Nc1ccccn1 ZINC000527348220 295093250 /nfs/dbraw/zinc/09/32/50/295093250.db2.gz LBPNTWLFINXGLY-SJORKVTESA-N 1 0 309.413 3.336 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000527463770 295097528 /nfs/dbraw/zinc/09/75/28/295097528.db2.gz XPAJVEYBUSKSEG-NVXWUHKLSA-N 1 0 321.440 3.055 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527807954 295134637 /nfs/dbraw/zinc/13/46/37/295134637.db2.gz OEYUJINRTWYXDL-FQEVSTJZSA-N 1 0 324.472 3.038 10 0 DGAERO CCn1nncc1C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000459388709 434577455 /nfs/dbraw/zinc/57/74/55/434577455.db2.gz PCLLTYFQOKZEIJ-KRWDZBQOSA-N 1 0 302.397 3.458 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccccc1COc1ccccc1 ZINC000237834989 295273456 /nfs/dbraw/zinc/27/34/56/295273456.db2.gz KPPWUNGVSUQOOE-DNVCBOLYSA-N 1 0 324.424 3.123 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC1(c2ccccc2)CCCCC1 ZINC000261768906 295315008 /nfs/dbraw/zinc/31/50/08/295315008.db2.gz ODHURRPFHLCUHA-DOTOQJQBSA-N 1 0 300.446 3.480 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000354045236 434592882 /nfs/dbraw/zinc/59/28/82/434592882.db2.gz SEEFBRBQRLBLHX-UHFFFAOYSA-N 1 0 315.442 3.208 10 0 DGAERO COC(=O)c1cc(C(C)(C)[NH2+]CCc2cccc(Cl)c2)no1 ZINC000459569664 434614181 /nfs/dbraw/zinc/61/41/81/434614181.db2.gz YWQBFQKYVLOUKX-UHFFFAOYSA-N 1 0 322.792 3.182 10 0 DGAERO COCC1(C)C[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000459618615 434632811 /nfs/dbraw/zinc/63/28/11/434632811.db2.gz CQBMETXTXHTUJK-UHFFFAOYSA-N 1 0 305.418 3.110 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000459614974 434633193 /nfs/dbraw/zinc/63/31/93/434633193.db2.gz YKVYVPSBHWECEQ-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)CC2 ZINC000371042287 434636505 /nfs/dbraw/zinc/63/65/05/434636505.db2.gz INPZIETZBSBVNF-OAQYLSRUSA-N 1 0 323.436 3.332 10 0 DGAERO Fc1ccc(CC2C[NH+](Cc3cnn4ccccc34)C2)cc1F ZINC000459635198 434643116 /nfs/dbraw/zinc/64/31/16/434643116.db2.gz XZUGEMOQAGDIRG-UHFFFAOYSA-N 1 0 313.351 3.287 10 0 DGAERO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1oc2ccccc2c1C ZINC000360783530 434693747 /nfs/dbraw/zinc/69/37/47/434693747.db2.gz XOFLNOPDVIYXOP-CYBMUJFWSA-N 1 0 317.433 3.271 10 0 DGAERO O[C@H](CC[NH2+]Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000349292341 434662332 /nfs/dbraw/zinc/66/23/32/434662332.db2.gz CGUMNNXPAXTEKJ-SNVBAGLBSA-N 1 0 302.123 3.396 10 0 DGAERO CCCc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000371362214 434678391 /nfs/dbraw/zinc/67/83/91/434678391.db2.gz YEGZJVLECWAOIV-UHFFFAOYSA-N 1 0 300.446 3.340 10 0 DGAERO c1ncc(CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)s1 ZINC000411225625 434747270 /nfs/dbraw/zinc/74/72/70/434747270.db2.gz NLOXXFIJUAZOSL-AWEZNQCLSA-N 1 0 302.399 3.251 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)C2CCC(C)(C)CC2)CC1 ZINC000460228083 434748536 /nfs/dbraw/zinc/74/85/36/434748536.db2.gz IHYHWPQJWOCGQJ-UHFFFAOYSA-N 1 0 307.482 3.249 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCc2nccs2)cc1 ZINC000360981893 434755082 /nfs/dbraw/zinc/75/50/82/434755082.db2.gz FSFWOXFTFZUHAJ-UHFFFAOYSA-N 1 0 318.442 3.431 10 0 DGAERO COc1cccc(C(C)(C)C[NH2+][C@H](C)C2(OC)CCOCC2)c1 ZINC000453164701 434820209 /nfs/dbraw/zinc/82/02/09/434820209.db2.gz FJMGUXUURRNIHW-OAHLLOKOSA-N 1 0 321.461 3.147 10 0 DGAERO CCCNc1ccc(C[NH2+][C@H](C)C2(OC)CCOCC2)cc1 ZINC000453216109 434830713 /nfs/dbraw/zinc/83/07/13/434830713.db2.gz QQQIENLEXWNIFL-OAHLLOKOSA-N 1 0 306.450 3.182 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@@H](C2CC2)C2CCC2)n1 ZINC000453231267 434834187 /nfs/dbraw/zinc/83/41/87/434834187.db2.gz VEKCPGUNLOLYPT-OAHLLOKOSA-N 1 0 308.447 3.031 10 0 DGAERO C[C@@H](CCCO)C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000453282779 434847861 /nfs/dbraw/zinc/84/78/61/434847861.db2.gz VAMSGWLXFJLCEW-GUYCJALGSA-N 1 0 321.852 3.161 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@@H](C)C2CCCCC2)CC1 ZINC000446207397 434853995 /nfs/dbraw/zinc/85/39/95/434853995.db2.gz SPMLNFBUYIKBHD-INIZCTEOSA-N 1 0 307.482 3.249 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNc2ccc(F)cn2)[C@H]1c1cccs1 ZINC000553078391 434877344 /nfs/dbraw/zinc/87/73/44/434877344.db2.gz HSKWYNKGPRUPTH-LRDDRELGSA-N 1 0 305.422 3.199 10 0 DGAERO CO[C@]1(C)CCC[N@H+](Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000573151446 434878387 /nfs/dbraw/zinc/87/83/87/434878387.db2.gz JXKIOMVEEZZJMT-GOSISDBHSA-N 1 0 315.417 3.436 10 0 DGAERO COC[C@@H]([NH2+]CCc1cccc(OC)n1)c1ccc(Cl)cc1 ZINC000491906360 434880097 /nfs/dbraw/zinc/88/00/97/434880097.db2.gz BASSMBQAKXVPEH-MRXNPFEDSA-N 1 0 320.820 3.263 10 0 DGAERO Brc1cnn(CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000521287679 434880416 /nfs/dbraw/zinc/88/04/16/434880416.db2.gz ZUKIXWILRIYETN-ZIAGYGMSSA-N 1 0 312.255 3.204 10 0 DGAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](C)CC1 ZINC000461713434 434884035 /nfs/dbraw/zinc/88/40/35/434884035.db2.gz DDERQJUYOBGUDD-IAGOWNOFSA-N 1 0 317.477 3.339 10 0 DGAERO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000461801272 434887987 /nfs/dbraw/zinc/88/79/87/434887987.db2.gz LRXNWIQEERUCLC-RWMBFGLXSA-N 1 0 323.403 3.089 10 0 DGAERO CC(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC000553546880 434895697 /nfs/dbraw/zinc/89/56/97/434895697.db2.gz RQAMBMWRCLCNKF-LJQANCHMSA-N 1 0 302.462 3.198 10 0 DGAERO c1ccc(OCC2CC2)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000573489476 434903247 /nfs/dbraw/zinc/90/32/47/434903247.db2.gz FKHVITBAEHHGCL-LJQANCHMSA-N 1 0 300.446 3.051 10 0 DGAERO c1nc2cc(C[NH2+]Cc3cnn(-c4ccccc4)c3)ccc2[nH]1 ZINC000520951524 434866399 /nfs/dbraw/zinc/86/63/99/434866399.db2.gz ARRLHHLYVQIRHM-UHFFFAOYSA-N 1 0 303.369 3.038 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000461217703 434873319 /nfs/dbraw/zinc/87/33/19/434873319.db2.gz NJSKQBJRUVRXOF-MRXNPFEDSA-N 1 0 302.462 3.337 10 0 DGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCCC2CC2)C1 ZINC000522973245 434936625 /nfs/dbraw/zinc/93/66/25/434936625.db2.gz ORJZMUNNQANTTI-CRAIPNDOSA-N 1 0 315.461 3.311 10 0 DGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCCC2CC2)C1 ZINC000522973246 434937394 /nfs/dbraw/zinc/93/73/94/434937394.db2.gz ORJZMUNNQANTTI-MAUKXSAKSA-N 1 0 315.461 3.311 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000523533820 434954457 /nfs/dbraw/zinc/95/44/57/434954457.db2.gz QPDPRMAADQPOPE-KRWDZBQOSA-N 1 0 317.477 3.339 10 0 DGAERO C[N@H+](CCc1cccc(Br)c1)C[C@@H](O)C(C)(C)C ZINC000463429358 434959433 /nfs/dbraw/zinc/95/94/33/434959433.db2.gz PCHSQDAZFHUXEU-CQSZACIVSA-N 1 0 314.267 3.330 10 0 DGAERO c1nc(CN2CC[C@@]3(C2)CCC[NH2+]C3)sc1-c1ccccc1 ZINC000573802284 434927007 /nfs/dbraw/zinc/92/70/07/434927007.db2.gz GYQVYHMPHMLUDU-SFHVURJKSA-N 1 0 313.470 3.386 10 0 DGAERO CO[C@@H](C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C(C)C ZINC000462783046 434928086 /nfs/dbraw/zinc/92/80/86/434928086.db2.gz HVZOQMLOEIJXEU-INIZCTEOSA-N 1 0 307.434 3.403 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1OC1CCCCC1 ZINC000524646974 434982117 /nfs/dbraw/zinc/98/21/17/434982117.db2.gz KRZCBSRYGLEPPM-HNNXBMFYSA-N 1 0 316.445 3.222 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC2(C)C)[C@@H]1c1cccs1 ZINC000531106645 435073010 /nfs/dbraw/zinc/07/30/10/435073010.db2.gz MYTLCTBHEQGBJG-DZGCQCFKSA-N 1 0 321.490 3.325 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000558036321 435074928 /nfs/dbraw/zinc/07/49/28/435074928.db2.gz OQXZORGPPFLZKH-UHFFFAOYSA-N 1 0 321.808 3.019 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000466407197 435076815 /nfs/dbraw/zinc/07/68/15/435076815.db2.gz AIDBTZDDWJHHLR-VBYALHQYSA-N 1 0 316.489 3.300 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000465844671 435047145 /nfs/dbraw/zinc/04/71/45/435047145.db2.gz SSTHHFRNYAKXMQ-HRCADAONSA-N 1 0 321.465 3.493 10 0 DGAERO C[C@@H](Cc1ccsc1)[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000557276009 435048845 /nfs/dbraw/zinc/04/88/45/435048845.db2.gz AECWZDJKOUTLDG-ZFWWWQNUSA-N 1 0 303.427 3.499 10 0 DGAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncnc2c3ccccc3oc21 ZINC000531559420 435100938 /nfs/dbraw/zinc/10/09/38/435100938.db2.gz OWAUJGDILKOHHO-FZMZJTMJSA-N 1 0 308.385 3.271 10 0 DGAERO c1ccc2c(c1)CC[C@]1(CC[N@@H+](CC[C@@H]3CCCCO3)C1)O2 ZINC000578700855 435104549 /nfs/dbraw/zinc/10/45/49/435104549.db2.gz JQWVKBFQFJAYSR-PKOBYXMFSA-N 1 0 301.430 3.415 10 0 DGAERO Cc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1OC(C)C ZINC000559024198 435119670 /nfs/dbraw/zinc/11/96/70/435119670.db2.gz NAUVULOSXNMJQC-UHFFFAOYSA-N 1 0 307.438 3.198 10 0 DGAERO CCOC(=O)C[N@H+](C[C@H](C)c1ccc(OC)cc1)C1CCC1 ZINC000468685599 435128562 /nfs/dbraw/zinc/12/85/62/435128562.db2.gz QLGUYFKJNLDYKO-AWEZNQCLSA-N 1 0 305.418 3.216 10 0 DGAERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000470941194 435136054 /nfs/dbraw/zinc/13/60/54/435136054.db2.gz UCUINIVSLMKKDL-AGIUHOORSA-N 1 0 320.399 3.296 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc(OC)c1 ZINC000475270279 435185641 /nfs/dbraw/zinc/18/56/41/435185641.db2.gz QCJQNLZJDVISCE-IINYFYTJSA-N 1 0 303.324 3.477 10 0 DGAERO Clc1cc(C[NH2+]CCOCC2CCC2)cc2c1OCCO2 ZINC000580022845 435198082 /nfs/dbraw/zinc/19/80/82/435198082.db2.gz YZXSQTBQLXOFPD-UHFFFAOYSA-N 1 0 311.809 3.018 10 0 DGAERO CC(C)[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000533048536 435206207 /nfs/dbraw/zinc/20/62/07/435206207.db2.gz KDHZITSUQOIKMW-UHFFFAOYSA-N 1 0 318.417 3.397 10 0 DGAERO Cc1nc(C(C)C)sc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000560325582 435161057 /nfs/dbraw/zinc/16/10/57/435161057.db2.gz LEZIRYYCVOIPGE-LBPRGKRZSA-N 1 0 321.490 3.131 10 0 DGAERO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCc2ccccc2C1 ZINC000533417979 435235331 /nfs/dbraw/zinc/23/53/31/435235331.db2.gz DNCDXGLUIZMPMK-SFHVURJKSA-N 1 0 309.409 3.447 10 0 DGAERO CC(C)n1nccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000583619502 435243875 /nfs/dbraw/zinc/24/38/75/435243875.db2.gz TVROORONARXZFH-KZNAEPCWSA-N 1 0 305.466 3.370 10 0 DGAERO C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000477849858 435281058 /nfs/dbraw/zinc/28/10/58/435281058.db2.gz BMGATEUWTZRQHM-UGSOOPFHSA-N 1 0 305.418 3.397 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000511253589 435317906 /nfs/dbraw/zinc/31/79/06/435317906.db2.gz OLFUXAYMMLNZKM-INIZCTEOSA-N 1 0 315.461 3.257 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000479044249 435318744 /nfs/dbraw/zinc/31/87/44/435318744.db2.gz SGGVRFQXYSSNQS-INIZCTEOSA-N 1 0 307.482 3.106 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4ccccc4OC3)C2)cc1 ZINC000511053130 435313497 /nfs/dbraw/zinc/31/34/97/435313497.db2.gz WTFFSWMKHZVQQP-VQTJNVASSA-N 1 0 322.452 3.244 10 0 DGAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000481125704 435410593 /nfs/dbraw/zinc/41/05/93/435410593.db2.gz LPNFGOGQLGLGKR-JSGCOSHPSA-N 1 0 318.417 3.158 10 0 DGAERO CC(C)(C)[N@@H+]1CCCN(C(=O)C2CCC(F)(F)CC2)CC1 ZINC000536137364 435372814 /nfs/dbraw/zinc/37/28/14/435372814.db2.gz VSOCQLMPCWYUER-UHFFFAOYSA-N 1 0 302.409 3.145 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC(=O)NCc1ccco1 ZINC000513019218 435374858 /nfs/dbraw/zinc/37/48/58/435374858.db2.gz AHIPKBIMLQOJCG-LCYFTJDESA-N 1 0 318.804 3.242 10 0 DGAERO COc1cc(C)c(C[NH2+]C[C@@](C)(O)C2CCCCC2)cc1OC ZINC000480454188 435380305 /nfs/dbraw/zinc/38/03/05/435380305.db2.gz OEUCPXSBCHXJMN-LJQANCHMSA-N 1 0 321.461 3.433 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2cc[nH]n2)oc1C ZINC000643926391 435385551 /nfs/dbraw/zinc/38/55/51/435385551.db2.gz DZDIYKFLYPYBOJ-RVSPLBMKSA-N 1 0 303.406 3.438 10 0 DGAERO C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC000644051609 435399653 /nfs/dbraw/zinc/39/96/53/435399653.db2.gz GIIXXYXOCRLCSE-PRHODGIISA-N 1 0 301.217 3.169 10 0 DGAERO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N(C)CCC[NH+](C)C ZINC000537213504 435429784 /nfs/dbraw/zinc/42/97/84/435429784.db2.gz BNHFKEBVMKCGTN-MRXNPFEDSA-N 1 0 319.493 3.475 10 0 DGAERO CCOC(=O)COc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000538728793 435519024 /nfs/dbraw/zinc/51/90/24/435519024.db2.gz YQQIEJAVNWGXSZ-IAGOWNOFSA-N 1 0 317.429 3.251 10 0 DGAERO COC[C@@H]([NH2+]CCOc1cccc(C)c1)c1ccc(F)cc1 ZINC000539379515 435548271 /nfs/dbraw/zinc/54/82/71/435548271.db2.gz FDTAQZOROLCVSF-GOSISDBHSA-N 1 0 303.377 3.490 10 0 DGAERO CC[C@@H]([NH2+]CCCC1CC1)c1ccccc1OCC(=O)N(C)C ZINC000540172328 435590481 /nfs/dbraw/zinc/59/04/81/435590481.db2.gz ZVGYFRADDSLLCA-QGZVFWFLSA-N 1 0 318.461 3.385 10 0 DGAERO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000540162663 435591067 /nfs/dbraw/zinc/59/10/67/435591067.db2.gz CHAQSQWHDKRNJW-KBPBESRZSA-N 1 0 302.409 3.335 10 0 DGAERO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000486796849 435615170 /nfs/dbraw/zinc/61/51/70/435615170.db2.gz VGNGFFMGVDLYED-UKRRQHHQSA-N 1 0 318.417 3.254 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(CC)cc2)C(C)C)C1 ZINC000540316384 435596326 /nfs/dbraw/zinc/59/63/26/435596326.db2.gz UADMCIAQMPHFEP-QZTJIDSGSA-N 1 0 317.477 3.340 10 0 DGAERO COC[C@@H]([NH2+]CCOc1ccccc1F)c1ccc(F)cc1 ZINC000540476545 435602000 /nfs/dbraw/zinc/60/20/00/435602000.db2.gz GIWDAEDMBOOUDK-MRXNPFEDSA-N 1 0 307.340 3.321 10 0 DGAERO C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)CCC[NH+](C)C ZINC000540514735 435606453 /nfs/dbraw/zinc/60/64/53/435606453.db2.gz CNLAADYEHYHMPH-LBPRGKRZSA-N 1 0 314.882 3.231 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000237605011 299999729 /nfs/dbraw/zinc/99/97/29/299999729.db2.gz RQZRAHVAAAJZPN-HHZNCOQUSA-N 1 0 304.478 3.097 10 0 DGAERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000548158082 435673717 /nfs/dbraw/zinc/67/37/17/435673717.db2.gz ARGKEYVOEYUNRL-HUUCEWRRSA-N 1 0 311.466 3.388 10 0 DGAERO CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000519176886 435673752 /nfs/dbraw/zinc/67/37/52/435673752.db2.gz MGWNEOLWCJSIJP-GOSISDBHSA-N 1 0 320.408 3.432 10 0 DGAERO CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCCSCC1 ZINC000520247644 435731887 /nfs/dbraw/zinc/73/18/87/435731887.db2.gz CJMYCMMYWDXNDL-UHFFFAOYSA-N 1 0 320.458 3.047 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000491345914 435732455 /nfs/dbraw/zinc/73/24/55/435732455.db2.gz JXEOWHDYIKEVAK-RTBURBONSA-N 1 0 310.445 3.385 10 0 DGAERO COCC1([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000548635444 435706861 /nfs/dbraw/zinc/70/68/61/435706861.db2.gz NXTOPIZGLYGUHZ-CYBMUJFWSA-N 1 0 300.324 3.246 10 0 DGAERO COc1cc(C)nc(C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000550548649 435802900 /nfs/dbraw/zinc/80/29/00/435802900.db2.gz WOTLGUAHBXEVJV-UHFFFAOYSA-N 1 0 304.434 3.037 10 0 DGAERO CC(C)(C)[C@H](O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000550714560 435808897 /nfs/dbraw/zinc/80/88/97/435808897.db2.gz YYCJKNAWVZQCFL-QGZVFWFLSA-N 1 0 324.896 3.255 10 0 DGAERO CC(=O)c1cccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c1O ZINC000520816760 435772513 /nfs/dbraw/zinc/77/25/13/435772513.db2.gz HEMHVJPBIPOVAM-UHFFFAOYSA-N 1 0 318.417 3.045 10 0 DGAERO c1csc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000520795555 435772820 /nfs/dbraw/zinc/77/28/20/435772820.db2.gz JBLDQRNGKXOHPI-PBHICJAKSA-N 1 0 324.453 3.297 10 0 DGAERO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551927562 435860323 /nfs/dbraw/zinc/86/03/23/435860323.db2.gz ADZSKVYYPCVLAS-FZMZJTMJSA-N 1 0 303.431 3.429 10 0 DGAERO Cc1nc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[nH]c1C ZINC000657432787 436197269 /nfs/dbraw/zinc/19/72/69/436197269.db2.gz KECJDRFUVBMVNP-CEXWTWQISA-N 1 0 324.472 3.027 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCSCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000657851171 436326600 /nfs/dbraw/zinc/32/66/00/436326600.db2.gz AZVIIIGCAUVQCZ-TZMCWYRMSA-N 1 0 313.488 3.026 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCSCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000657851168 436327158 /nfs/dbraw/zinc/32/71/58/436327158.db2.gz AZVIIIGCAUVQCZ-JSGCOSHPSA-N 1 0 313.488 3.026 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cncc(Br)c1 ZINC000657891902 436335335 /nfs/dbraw/zinc/33/53/35/436335335.db2.gz ZHQHBWYOXCBYBG-WDMOLILDSA-N 1 0 313.239 3.046 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1Cl ZINC000658245317 436409124 /nfs/dbraw/zinc/40/91/24/436409124.db2.gz RHPJYYRRNGAZJN-NXEZZACHSA-N 1 0 301.217 3.122 10 0 DGAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000658301109 436422955 /nfs/dbraw/zinc/42/29/55/436422955.db2.gz WNBRGCANWRGTKL-ZIAGYGMSSA-N 1 0 301.496 3.148 10 0 DGAERO Cc1cccc(C2(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)CCCC2)c1 ZINC000237932446 301981637 /nfs/dbraw/zinc/98/16/37/301981637.db2.gz DGLANIKKUQQOOK-RDJZCZTQSA-N 1 0 300.446 3.398 10 0 DGAERO Cc1ccccc1[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000180851603 302200173 /nfs/dbraw/zinc/20/01/73/302200173.db2.gz DHQSQTQCLLWPDH-FXAWDEMLSA-N 1 0 318.424 3.281 10 0 DGAERO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCCC23CCC3)c1C ZINC000444792634 533698427 /nfs/dbraw/zinc/69/84/27/533698427.db2.gz PZZGNGSGXVDHSI-QGZVFWFLSA-N 1 0 303.446 3.370 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000133402997 312666885 /nfs/dbraw/zinc/66/68/85/312666885.db2.gz ROMLXXMPSDOQJO-QGZVFWFLSA-N 1 0 316.489 3.446 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)cc1NC(C)=O ZINC000168701347 312695976 /nfs/dbraw/zinc/69/59/76/312695976.db2.gz HGVMCKQOKOOJAV-SMDDNHRTSA-N 1 0 308.447 3.200 10 0 DGAERO CC[NH+](CC)CCCCNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000172295209 312744952 /nfs/dbraw/zinc/74/49/52/312744952.db2.gz PYWMFPADSLPSDM-UHFFFAOYSA-N 1 0 319.424 3.467 10 0 DGAERO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C(C)C)c(OC)c1 ZINC000178579020 312790547 /nfs/dbraw/zinc/79/05/47/312790547.db2.gz ZZVZPAKXQLNCHK-KGLIPLIRSA-N 1 0 322.449 3.303 10 0 DGAERO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1ccncc1 ZINC000179745421 312815666 /nfs/dbraw/zinc/81/56/66/312815666.db2.gz JYXJIJMGJULPFP-MRXNPFEDSA-N 1 0 313.401 3.160 10 0 DGAERO CCOc1ccccc1[C@H](CC)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000179753105 312815793 /nfs/dbraw/zinc/81/57/93/312815793.db2.gz UBBUWIFKRHHWLS-ZBFHGGJFSA-N 1 0 309.450 3.302 10 0 DGAERO CCCCc1noc([C@@H](C)N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000377195352 313027541 /nfs/dbraw/zinc/02/75/41/313027541.db2.gz DQYWSBUGYVDRPM-CQSZACIVSA-N 1 0 306.454 3.033 10 0 DGAERO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000532484864 313553582 /nfs/dbraw/zinc/55/35/82/313553582.db2.gz BNCXBLUTTCAUFK-NEPJUHHUSA-N 1 0 317.260 3.365 10 0 DGAERO C[C@H]1C[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000533739850 313636863 /nfs/dbraw/zinc/63/68/63/313636863.db2.gz GZSRWGRVHMIUDO-VHSXEESVSA-N 1 0 311.216 3.320 10 0 DGAERO c1nc(C2CC2)sc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000535945890 313742822 /nfs/dbraw/zinc/74/28/22/313742822.db2.gz UXQHZEZMBISFOF-UHFFFAOYSA-N 1 0 300.431 3.020 10 0 DGAERO Cc1cc(O[C@H](C)C(=O)N(C)CCC[NH+](C)C)ccc1C(C)C ZINC000537213871 313801883 /nfs/dbraw/zinc/80/18/83/313801883.db2.gz YDEPMQPXJWNHGR-MRXNPFEDSA-N 1 0 320.477 3.296 10 0 DGAERO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(C)CCC[NH+](C)C ZINC000537213503 313802007 /nfs/dbraw/zinc/80/20/07/313802007.db2.gz BNHFKEBVMKCGTN-INIZCTEOSA-N 1 0 319.493 3.475 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000538314526 313856484 /nfs/dbraw/zinc/85/64/84/313856484.db2.gz KBKUKCYWEAKTBJ-UHFFFAOYSA-N 1 0 317.260 3.336 10 0 DGAERO Cc1cccc(-c2cncc(C(=O)N(C)CCC[NH+](C)C)c2)c1 ZINC000538315520 313856536 /nfs/dbraw/zinc/85/65/36/313856536.db2.gz JYGXBACTIJWRGX-UHFFFAOYSA-N 1 0 311.429 3.081 10 0 DGAERO CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C1(C)C ZINC000538394418 313860133 /nfs/dbraw/zinc/86/01/33/313860133.db2.gz ZESGBRDWRVYBOV-OKZBNKHCSA-N 1 0 305.462 3.336 10 0 DGAERO CCOC(=O)COc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000538728794 313880007 /nfs/dbraw/zinc/88/00/07/313880007.db2.gz YQQIEJAVNWGXSZ-IRXDYDNUSA-N 1 0 317.429 3.251 10 0 DGAERO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000540162961 313950395 /nfs/dbraw/zinc/95/03/95/313950395.db2.gz HKBMAOOTGZUHCQ-GDBMZVCRSA-N 1 0 324.415 3.291 10 0 DGAERO COC[C@H](O)C[NH2+]C1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC000540478567 313961728 /nfs/dbraw/zinc/96/17/28/313961728.db2.gz MMPDQHQDKHYQBE-QGZVFWFLSA-N 1 0 305.462 3.350 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000541493828 314018465 /nfs/dbraw/zinc/01/84/65/314018465.db2.gz XNDQSSISTNLDOG-SJORKVTESA-N 1 0 307.482 3.105 10 0 DGAERO COC(=O)[C@H](C1CC1)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000541986324 314051106 /nfs/dbraw/zinc/05/11/06/314051106.db2.gz MPCRAYINGVKFCO-KRWDZBQOSA-N 1 0 305.393 3.032 10 0 DGAERO c1ccc(N2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)nc1 ZINC000541986547 314051263 /nfs/dbraw/zinc/05/12/63/314051263.db2.gz LTZOWLXPSCUEEC-QGZVFWFLSA-N 1 0 307.441 3.009 10 0 DGAERO O=C(Nc1cccc2c1OCO2)c1cccc(C[NH+]2CCCC2)c1 ZINC000542061636 314055494 /nfs/dbraw/zinc/05/54/94/314055494.db2.gz XTFRRABKSWQISE-UHFFFAOYSA-N 1 0 324.380 3.263 10 0 DGAERO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000542254630 314065196 /nfs/dbraw/zinc/06/51/96/314065196.db2.gz QMBYDRAWYPGDAG-HOTGVXAUSA-N 1 0 316.445 3.161 10 0 DGAERO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000542254632 314065342 /nfs/dbraw/zinc/06/53/42/314065342.db2.gz QMBYDRAWYPGDAG-JKSUJKDBSA-N 1 0 316.445 3.161 10 0 DGAERO C[C@@H](CNC(=O)N(C)C[C@@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000542270308 314066481 /nfs/dbraw/zinc/06/64/81/314066481.db2.gz LBZNHNFGQXWTCY-DLBZAZTESA-N 1 0 307.482 3.105 10 0 DGAERO C[C@H](CNC(=O)N(C)C[C@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000542270312 314066549 /nfs/dbraw/zinc/06/65/49/314066549.db2.gz LBZNHNFGQXWTCY-SJORKVTESA-N 1 0 307.482 3.105 10 0 DGAERO COC(=O)c1ccc(-c2nc(C[N@@H+]3C[C@H](C)[C@H](C)C3)co2)cc1 ZINC000542928820 314106459 /nfs/dbraw/zinc/10/64/59/314106459.db2.gz VGTORIOKLMGGDV-BETUJISGSA-N 1 0 314.385 3.216 10 0 DGAERO COC(=O)c1ccc(-c2nc(C[NH+]3C[C@@H](C)[C@H](C)C3)co2)cc1 ZINC000542928822 314106765 /nfs/dbraw/zinc/10/67/65/314106765.db2.gz VGTORIOKLMGGDV-CHWSQXEVSA-N 1 0 314.385 3.216 10 0 DGAERO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@@H]1CC=CCC1 ZINC000544110674 314173852 /nfs/dbraw/zinc/17/38/52/314173852.db2.gz FIEAOFDFEMRJSO-FGTMMUONSA-N 1 0 304.478 3.456 10 0 DGAERO CCCC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)C1CCC1 ZINC000544411082 314191228 /nfs/dbraw/zinc/19/12/28/314191228.db2.gz OUIMVQDYOJKFIM-HNNXBMFYSA-N 1 0 318.417 3.302 10 0 DGAERO COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1C1CC1)CCC2 ZINC000546227571 314297258 /nfs/dbraw/zinc/29/72/58/314297258.db2.gz LJZQIRROKRPBLA-KZNAEPCWSA-N 1 0 317.477 3.465 10 0 DGAERO COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCCC[C@H]1C1CC1)CCC2 ZINC000546227696 314297266 /nfs/dbraw/zinc/29/72/66/314297266.db2.gz LJZQIRROKRPBLA-RCCFBDPRSA-N 1 0 317.477 3.465 10 0 DGAERO CCSc1cc(Cl)ccc1C(=O)N(C)CCC[NH+](C)C ZINC000547309178 314355156 /nfs/dbraw/zinc/35/51/56/314355156.db2.gz GHUGIJZSONDHRM-UHFFFAOYSA-N 1 0 314.882 3.476 10 0 DGAERO CC(=O)c1cc(Br)cc(F)c1OC[C@@H](C)[NH+](C)C ZINC000548148771 314426388 /nfs/dbraw/zinc/42/63/88/314426388.db2.gz RDVXFZSOKYYPOP-MRVPVSSYSA-N 1 0 318.186 3.120 10 0 DGAERO O=C1[C@H]([NH2+]CCc2cccc(Cl)c2)CCN1c1ccccc1 ZINC000553608733 314649763 /nfs/dbraw/zinc/64/97/63/314649763.db2.gz NBAIAWXSNQQFHL-QGZVFWFLSA-N 1 0 314.816 3.278 10 0 DGAERO COc1cccc2c1CCC[C@H]2[NH2+]C1CCC(NC(C)=O)CC1 ZINC000554403310 314679408 /nfs/dbraw/zinc/67/94/08/314679408.db2.gz PZDYDSRLZMUOLD-JTTJXQCZSA-N 1 0 316.445 3.110 10 0 DGAERO CC[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)C1CCOCC1 ZINC000560909235 314948340 /nfs/dbraw/zinc/94/83/40/314948340.db2.gz JKTAPGVOBWUSEB-JKSUJKDBSA-N 1 0 305.418 3.011 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cncc(Br)c1 ZINC000563550338 315123556 /nfs/dbraw/zinc/12/35/56/315123556.db2.gz PTAGDIFDXFRMDL-MISXGVKJSA-N 1 0 313.239 3.046 10 0 DGAERO CC(C)[C@@H]1CC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000563839897 315141136 /nfs/dbraw/zinc/14/11/36/315141136.db2.gz FOKFVPVVJSILPE-HIFRSBDPSA-N 1 0 301.352 3.339 10 0 DGAERO CO[C@@H](C)CC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000564340439 315170947 /nfs/dbraw/zinc/17/09/47/315170947.db2.gz LMRAGOXEFYHDIL-BLLLJJGKSA-N 1 0 307.825 3.178 10 0 DGAERO c1ccc([C@H]2CCCC[C@H]([NH2+]CCN3CCCOCC3)C2)cc1 ZINC000565390698 315257964 /nfs/dbraw/zinc/25/79/64/315257964.db2.gz NTYNAAXIDSBPSH-PMACEKPBSA-N 1 0 316.489 3.415 10 0 DGAERO c1sc(CN2CC[C@@]3(C2)CCC[NH2+]C3)nc1-c1ccccc1 ZINC000566230399 315324687 /nfs/dbraw/zinc/32/46/87/315324687.db2.gz NQYJBSRCNVKZCA-SFHVURJKSA-N 1 0 313.470 3.386 10 0 DGAERO c1cn(Cc2ccccc2)c(NCc2cnc(C3CC3)nc2)[nH+]1 ZINC000569329436 315573046 /nfs/dbraw/zinc/57/30/46/315573046.db2.gz YTWPYXXEBIGOHY-UHFFFAOYSA-N 1 0 305.385 3.211 10 0 DGAERO C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(Br)cn1 ZINC000573061464 315837068 /nfs/dbraw/zinc/83/70/68/315837068.db2.gz WXGMTRVBAKNSOV-VXGBXAGGSA-N 1 0 313.239 3.311 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000575052332 316028767 /nfs/dbraw/zinc/02/87/67/316028767.db2.gz QMDPLFNYGKRSKU-KOLCDFICSA-N 1 0 301.217 3.127 10 0 DGAERO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccc(Br)cc1F ZINC000576077661 316091585 /nfs/dbraw/zinc/09/15/85/316091585.db2.gz YRZAHKNWAKFEDJ-BFVZDQMLSA-N 1 0 315.230 3.189 10 0 DGAERO C[C@@H]([NH2+]CCOCC1CCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000576161442 316100768 /nfs/dbraw/zinc/10/07/68/316100768.db2.gz ZIBWBRAKEVMVRJ-CYBMUJFWSA-N 1 0 302.418 3.039 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cn2)[nH]n1 ZINC000576761623 316164958 /nfs/dbraw/zinc/16/49/58/316164958.db2.gz SUJRAOBMVVGWLQ-ONGXEEELSA-N 1 0 323.238 3.157 10 0 DGAERO Cc1cnn(C)c1C[NH2+]Cc1ccc(-c2csc(C)n2)cc1 ZINC000577131109 316206012 /nfs/dbraw/zinc/20/60/12/316206012.db2.gz CHPNVRNGFXJZDH-UHFFFAOYSA-N 1 0 312.442 3.450 10 0 DGAERO COC(=O)CC1([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CCCCC1 ZINC000577810756 316272642 /nfs/dbraw/zinc/27/26/42/316272642.db2.gz IKXMRNYYDWWDCR-UHFFFAOYSA-N 1 0 317.389 3.025 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC000179864409 323216207 /nfs/dbraw/zinc/21/62/07/323216207.db2.gz FBSGGYSVENPBDD-QAPCUYQASA-N 1 0 318.461 3.132 10 0 DGAERO CC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C(C)(C)c1ccccc1 ZINC000180006199 323219883 /nfs/dbraw/zinc/21/98/83/323219883.db2.gz FHJGETCONYCCSI-HOCLYGCPSA-N 1 0 311.491 3.013 10 0 DGAERO CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180170498 323223150 /nfs/dbraw/zinc/22/31/50/323223150.db2.gz MHCCGLVSMUYEPG-PKOBYXMFSA-N 1 0 324.424 3.261 10 0 DGAERO CCC[C@H](C)C[NH+]1CCN(CCOc2cccc(OC)c2)CC1 ZINC000180535793 323231996 /nfs/dbraw/zinc/23/19/96/323231996.db2.gz PKMMAPGYZJNSOA-KRWDZBQOSA-N 1 0 320.477 3.128 10 0 DGAERO CCCc1csc(NC(=O)NCC2CC[NH+](CCC)CC2)n1 ZINC000180655023 323234570 /nfs/dbraw/zinc/23/45/70/323234570.db2.gz SYMHTZAVNDYEBN-UHFFFAOYSA-N 1 0 324.494 3.339 10 0 DGAERO CCCc1csc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)n1 ZINC000180639353 323234898 /nfs/dbraw/zinc/23/48/98/323234898.db2.gz LCYMFKWLRPUMKI-KBPBESRZSA-N 1 0 322.478 3.186 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181013608 323244225 /nfs/dbraw/zinc/24/42/25/323244225.db2.gz AQGMTNLMSRLHQW-GDBMZVCRSA-N 1 0 320.481 3.107 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181171860 323247950 /nfs/dbraw/zinc/24/79/50/323247950.db2.gz FTMRUUGZQPZXSA-CHWSQXEVSA-N 1 0 317.408 3.157 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000181180401 323248289 /nfs/dbraw/zinc/24/82/89/323248289.db2.gz WBDWLYBCFXTLHE-INIZCTEOSA-N 1 0 320.481 3.109 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2c(C)nn(C)c2C)C1(CC)CC ZINC000181440381 323254320 /nfs/dbraw/zinc/25/43/20/323254320.db2.gz PEEGLIIJJOXMIK-DLBZAZTESA-N 1 0 307.482 3.153 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000181674365 323263407 /nfs/dbraw/zinc/26/34/07/323263407.db2.gz XVDRXMOOEGRAAN-MRXNPFEDSA-N 1 0 310.445 3.483 10 0 DGAERO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000181928835 323275305 /nfs/dbraw/zinc/27/53/05/323275305.db2.gz GIKDOZLQLXPVRC-HUUCEWRRSA-N 1 0 316.445 3.285 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)NCCC(C)(C)C)cc1F ZINC000182001202 323278998 /nfs/dbraw/zinc/27/89/98/323278998.db2.gz SGRXXKLBBMDOLK-LBPRGKRZSA-N 1 0 310.413 3.037 10 0 DGAERO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(-n2ccnn2)cc1 ZINC000182047551 323280965 /nfs/dbraw/zinc/28/09/65/323280965.db2.gz UMUGYAGZPNHPBR-HNNXBMFYSA-N 1 0 321.428 3.184 10 0 DGAERO CCNC(=O)c1ccc(C[NH2+]C[C@@H](C)Cc2ccccc2)cc1 ZINC000182053387 323281227 /nfs/dbraw/zinc/28/12/27/323281227.db2.gz IQTHBJPWMUVFPR-INIZCTEOSA-N 1 0 310.441 3.405 10 0 DGAERO C[C@@H](C[NH2+]CCCN(C)CC(F)(F)F)Cc1ccccc1 ZINC000182053648 323281810 /nfs/dbraw/zinc/28/18/10/323281810.db2.gz VJVINMMRGYADRP-CQSZACIVSA-N 1 0 302.384 3.339 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCCc2c(C)nn(C)c2C)C12CCCC2 ZINC000182109684 323283357 /nfs/dbraw/zinc/28/33/57/323283357.db2.gz JBNWXJPJPQZCQD-QZTJIDSGSA-N 1 0 319.493 3.297 10 0 DGAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182356811 323295407 /nfs/dbraw/zinc/29/54/07/323295407.db2.gz ROPRSRLRIAWNFE-NUEKZKHPSA-N 1 0 320.481 3.028 10 0 DGAERO CCOC(=O)CN(CCC(=O)c1ccc(F)cc1)C(C)(C)C ZINC000182492679 323301710 /nfs/dbraw/zinc/30/17/10/323301710.db2.gz BQTRGVYMUXEYEQ-UHFFFAOYSA-N 1 0 309.381 3.062 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)CCc1ccccc1 ZINC000182566470 323305103 /nfs/dbraw/zinc/30/51/03/323305103.db2.gz DHWCURWXKUJPMI-KRWDZBQOSA-N 1 0 318.486 3.390 10 0 DGAERO Cn1ccnc1CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000182576636 323305294 /nfs/dbraw/zinc/30/52/94/323305294.db2.gz NZWUEARSEISNNI-GFCCVEGCSA-N 1 0 305.250 3.092 10 0 DGAERO CCc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1CC ZINC000182727848 323309845 /nfs/dbraw/zinc/30/98/45/323309845.db2.gz UKOQQUHRDRZDRV-KRWDZBQOSA-N 1 0 301.434 3.123 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1CC ZINC000182766457 323311374 /nfs/dbraw/zinc/31/13/74/323311374.db2.gz ZNNUYDYWXAABPM-SFHVURJKSA-N 1 0 313.445 3.289 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000183054316 323322884 /nfs/dbraw/zinc/32/28/84/323322884.db2.gz VHGFOIAVFIKFHE-HZPDHXFCSA-N 1 0 302.466 3.204 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)c1 ZINC000183477197 323338865 /nfs/dbraw/zinc/33/88/65/323338865.db2.gz FTCNZAGOMQOTQH-SFHVURJKSA-N 1 0 308.425 3.392 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)s1 ZINC000183489779 323339962 /nfs/dbraw/zinc/33/99/62/323339962.db2.gz QRHUOGBAWDECEX-LLVKDONJSA-N 1 0 306.479 3.394 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000183492994 323340175 /nfs/dbraw/zinc/34/01/75/323340175.db2.gz CYBVJVXQUANVFH-SFHVURJKSA-N 1 0 313.445 3.473 10 0 DGAERO Fc1ccccc1[C@@H]([NH2+]CCCn1ccnn1)C1CCCC1 ZINC000184277250 323360888 /nfs/dbraw/zinc/36/08/88/323360888.db2.gz OQDKSSWJBFNVTE-KRWDZBQOSA-N 1 0 302.397 3.328 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C)cc1)c1nc(C)cs1 ZINC000184401196 323364681 /nfs/dbraw/zinc/36/46/81/323364681.db2.gz BBASBHATSYUUGT-GDBMZVCRSA-N 1 0 320.458 3.241 10 0 DGAERO CC[C@H](NCC(=O)N(C1CC1)C1CCCC1)c1nccs1 ZINC000185044836 323379450 /nfs/dbraw/zinc/37/94/50/323379450.db2.gz BNNFJHJXVVHCQF-AWEZNQCLSA-N 1 0 307.463 3.117 10 0 DGAERO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1)c1nccs1 ZINC000185113918 323381645 /nfs/dbraw/zinc/38/16/45/323381645.db2.gz DWASWQOFJQERJN-AWEZNQCLSA-N 1 0 319.430 3.221 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000185248745 323384787 /nfs/dbraw/zinc/38/47/87/323384787.db2.gz YQKJVRLWSFRLDQ-INIZCTEOSA-N 1 0 323.868 3.384 10 0 DGAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C/C=C/c1ccccc1 ZINC000185926215 323398978 /nfs/dbraw/zinc/39/89/78/323398978.db2.gz VBHLATUGVXJNOU-PFWMLDTASA-N 1 0 314.816 3.039 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000187660867 323418244 /nfs/dbraw/zinc/41/82/44/323418244.db2.gz UDHRPXQLSJHNFX-YOEHRIQHSA-N 1 0 310.869 3.349 10 0 DGAERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CC=C(C)C)CC1 ZINC000190361189 323442185 /nfs/dbraw/zinc/44/21/85/323442185.db2.gz TVKFIDZUTCCALS-UHFFFAOYSA-N 1 0 310.482 3.081 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@H]1O ZINC000380745847 323613030 /nfs/dbraw/zinc/61/30/30/323613030.db2.gz OFEXVOIZOAZNML-BYCMXARLSA-N 1 0 312.251 3.273 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384500208 323628744 /nfs/dbraw/zinc/62/87/44/323628744.db2.gz WUZZNSYCJOYBHQ-PWSUYJOCSA-N 1 0 300.855 3.138 10 0 DGAERO C[C@H](CCC(C)(C)C)[NH2+]Cc1c(Br)cnn1C ZINC000386327614 323637648 /nfs/dbraw/zinc/63/76/48/323637648.db2.gz ZNFICYAFZCBKOE-SNVBAGLBSA-N 1 0 302.260 3.487 10 0 DGAERO COC[C@@H]([NH2+]Cc1c(F)cccc1Br)C(C)C ZINC000394913695 323676590 /nfs/dbraw/zinc/67/65/90/323676590.db2.gz JHTNDELFIBZCDJ-CYBMUJFWSA-N 1 0 304.203 3.349 10 0 DGAERO c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000580736830 324033178 /nfs/dbraw/zinc/03/31/78/324033178.db2.gz HBZNDZNZRDCWEC-WCXIOVBPSA-N 1 0 301.430 3.348 10 0 DGAERO C[NH+]1CCC([C@]2(O)c3ccccc3C=Cc3cccnc32)CC1 ZINC000584617799 337373051 /nfs/dbraw/zinc/37/30/51/337373051.db2.gz RJPJVOYQEXVRSK-FQEVSTJZSA-N 1 0 306.409 3.143 10 0 DGAERO C[C@H]([C@H](C)[NH2+]Cc1ccccc1)n1cc(Br)cn1 ZINC000584619192 337373296 /nfs/dbraw/zinc/37/32/96/337373296.db2.gz GPAVNDAKDWQFEE-NWDGAFQWSA-N 1 0 308.223 3.385 10 0 DGAERO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](O)(C[NH3+])CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000584591697 337373512 /nfs/dbraw/zinc/37/35/12/337373512.db2.gz FLIKIVWNBYHPFB-QFHQRVFTSA-N 1 0 321.505 3.080 10 0 DGAERO O=C(NC1CCCC1)c1csc([C@H]2C[C@H]2[NH2+]C2CCC2)c1 ZINC000584635362 337374866 /nfs/dbraw/zinc/37/48/66/337374866.db2.gz VZSDNHFXEYBWDN-LSDHHAIUSA-N 1 0 304.459 3.419 10 0 DGAERO C[NH+]1CCC([C@@]2(O)c3ccccc3C=Cc3ncccc32)CC1 ZINC000584638176 337379534 /nfs/dbraw/zinc/37/95/34/337379534.db2.gz AGTFDADKQGAIOU-HXUWFJFHSA-N 1 0 306.409 3.143 10 0 DGAERO CC[NH+](CC)CCNc1c(Cl)cc(CO)c2ncccc21 ZINC000584640782 337379945 /nfs/dbraw/zinc/37/99/45/337379945.db2.gz WXIHEFODUHCTCX-UHFFFAOYSA-N 1 0 307.825 3.134 10 0 DGAERO COc1cc(C[NH2+][C@H]2CC[C@@H]2C)cc(Br)c1O ZINC000310158448 533909239 /nfs/dbraw/zinc/90/92/39/533909239.db2.gz HTMAKPHEKVQDGD-KWQFWETISA-N 1 0 300.196 3.051 10 0 DGAERO COc1cc(C[NH2+][C@H]2CC[C@H]2C)cc(Br)c1O ZINC000310158447 533908898 /nfs/dbraw/zinc/90/88/98/533908898.db2.gz HTMAKPHEKVQDGD-KCJUWKMLSA-N 1 0 300.196 3.051 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178462628 533973414 /nfs/dbraw/zinc/97/34/14/533973414.db2.gz UAYFHUKJXIYBDC-STQMWFEESA-N 1 0 310.463 3.287 10 0 DGAERO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)c(F)c2)cc1 ZINC000181347225 533988583 /nfs/dbraw/zinc/98/85/83/533988583.db2.gz UHIBYQXJYOMXDR-OAHLLOKOSA-N 1 0 314.404 3.410 10 0 DGAERO C[S@@](=O)C1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CCC1 ZINC000435751651 534190206 /nfs/dbraw/zinc/19/02/06/534190206.db2.gz TXPCJMMQSCITER-OAQYLSRUSA-N 1 0 320.483 3.201 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000176663294 534247549 /nfs/dbraw/zinc/24/75/49/534247549.db2.gz IIRJTEQJFIASBQ-WXFDERKXSA-N 1 0 300.446 3.339 10 0 DGAERO OCC1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000304608354 534354244 /nfs/dbraw/zinc/35/42/44/534354244.db2.gz NILUBMPUXTVNFN-UHFFFAOYSA-N 1 0 304.253 3.151 10 0 DGAERO FC(F)(F)CCC[NH2+]Cc1ncc(Br)s1 ZINC000308882910 534380649 /nfs/dbraw/zinc/38/06/49/534380649.db2.gz RDPINIJVPQATKO-UHFFFAOYSA-N 1 0 303.147 3.338 10 0 DGAERO CN(Cc1ccccc1Cl)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156702630 523362086 /nfs/dbraw/zinc/36/20/86/523362086.db2.gz BOGDYVCBHDQGKE-UHFFFAOYSA-N 1 0 300.789 3.215 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)c1F ZINC000158318811 523480063 /nfs/dbraw/zinc/48/00/63/523480063.db2.gz CGTBCGYNAOGEOZ-VXGBXAGGSA-N 1 0 310.800 3.178 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCOc3ccccc3C)[C@H]2C1 ZINC000158070541 523709401 /nfs/dbraw/zinc/70/94/01/523709401.db2.gz QGKPYGKASTVYEH-AOIWGVFYSA-N 1 0 319.445 3.032 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(OC(C)C)c3)[C@H]2C1 ZINC000158458717 523727818 /nfs/dbraw/zinc/72/78/18/523727818.db2.gz ZECSSDVNUJVOPC-NZSAHSFTSA-N 1 0 319.445 3.242 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000163307848 523833525 /nfs/dbraw/zinc/83/35/25/523833525.db2.gz SKBPLXPAQPZATM-RYUDHWBXSA-N 1 0 302.871 3.163 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+]CCN2CCCC[C@H]2C)cc1 ZINC000156611413 524052471 /nfs/dbraw/zinc/05/24/71/524052471.db2.gz FUGOPIZEFZNQFB-SJORKVTESA-N 1 0 320.477 3.237 10 0 DGAERO COc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)cc1OC ZINC000189239514 524072498 /nfs/dbraw/zinc/07/24/98/524072498.db2.gz IUDJEUGQZXQIBR-PBHICJAKSA-N 1 0 307.434 3.245 10 0 DGAERO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCO1 ZINC000328648983 534813284 /nfs/dbraw/zinc/81/32/84/534813284.db2.gz UVIPGKOXCNNBEM-LHHMISFZSA-N 1 0 303.450 3.199 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1OC(F)(F)F ZINC000154527283 525385957 /nfs/dbraw/zinc/38/59/57/525385957.db2.gz WLADQPCXVDTTRT-RYUDHWBXSA-N 1 0 302.340 3.330 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccco1 ZINC000157243802 525447935 /nfs/dbraw/zinc/44/79/35/525447935.db2.gz BCCUVJMQOIRXSA-KFWWJZLASA-N 1 0 315.417 3.139 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000163301868 525945476 /nfs/dbraw/zinc/94/54/76/525945476.db2.gz IKUSQRVVVXXFKV-UHFFFAOYSA-N 1 0 313.445 3.199 10 0 DGAERO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000156072685 526243805 /nfs/dbraw/zinc/24/38/05/526243805.db2.gz MUOONOBUYJMCCF-OAHLLOKOSA-N 1 0 321.852 3.134 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+](Cc3c(C)nn(C)c3C)C2)n1 ZINC000156986904 526421750 /nfs/dbraw/zinc/42/17/50/526421750.db2.gz QGCUHOSNYGFHNW-CQSZACIVSA-N 1 0 304.463 3.181 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444616523 527141623 /nfs/dbraw/zinc/14/16/23/527141623.db2.gz IXRJTQYIZIZDSY-OAHLLOKOSA-N 1 0 310.482 3.010 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC([C@H](C)[NH3+])CC2)cc1Cl ZINC000415446711 527302567 /nfs/dbraw/zinc/30/25/67/527302567.db2.gz KHUPMDMSLBEMCW-JTQLQIEISA-N 1 0 323.824 3.134 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@H](C)CCCC[NH3+])cc1Cl ZINC000415453042 527307356 /nfs/dbraw/zinc/30/73/56/527307356.db2.gz OXDSSHZHYGOPLQ-JTQLQIEISA-N 1 0 311.813 3.182 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000157545648 527583181 /nfs/dbraw/zinc/58/31/81/527583181.db2.gz AFHIUBFEEKNBCG-CQSZACIVSA-N 1 0 322.497 3.243 10 0 DGAERO CC1(C)SC[C@@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000309814637 527819588 /nfs/dbraw/zinc/81/95/88/527819588.db2.gz VAZDOOIBGCGVRG-NSHDSACASA-N 1 0 302.237 3.138 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)c2nc(-c3ccccc3)ns2)[C@@H](C)C1 ZINC000302309052 527837264 /nfs/dbraw/zinc/83/72/64/527837264.db2.gz RWSJTMWTNHRDPA-ZFWWWQNUSA-N 1 0 316.474 3.372 10 0 DGAERO CC1(C)[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)C[C@@H]21 ZINC000443624599 527848799 /nfs/dbraw/zinc/84/87/99/527848799.db2.gz IJNLDJKPGSHQOI-AEGPPILISA-N 1 0 313.363 3.197 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)Cc1c[nH]c2ccccc12 ZINC000443397623 528227446 /nfs/dbraw/zinc/22/74/46/528227446.db2.gz ZIZUQWCTVXPNBN-SFHVURJKSA-N 1 0 313.445 3.391 10 0 DGAERO CC1CC[NH+](CCSc2nnc(C(F)(F)F)s2)CC1 ZINC000188189291 528247445 /nfs/dbraw/zinc/24/74/45/528247445.db2.gz UQVMEADRAPVBQU-UHFFFAOYSA-N 1 0 311.398 3.381 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCC12CCC2)c1ccsc1 ZINC000435574648 528271736 /nfs/dbraw/zinc/27/17/36/528271736.db2.gz AXMLAMNPQKVZAQ-OAHLLOKOSA-N 1 0 321.490 3.469 10 0 DGAERO CC(C)Oc1nccnc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000302226346 528287238 /nfs/dbraw/zinc/28/72/38/528287238.db2.gz PLTMRQUYOOAAAJ-INIZCTEOSA-N 1 0 318.465 3.109 10 0 DGAERO CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000444787210 528428075 /nfs/dbraw/zinc/42/80/75/528428075.db2.gz QJEXGJQHJFKHRV-UHFFFAOYSA-N 1 0 316.445 3.062 10 0 DGAERO CCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175348114 528668162 /nfs/dbraw/zinc/66/81/62/528668162.db2.gz IXVVMGDXSRRLPO-UKRRQHHQSA-N 1 0 305.422 3.032 10 0 DGAERO CCCOc1cccc(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000162087309 528739285 /nfs/dbraw/zinc/73/92/85/528739285.db2.gz RAQMAJXQWLRERS-INIZCTEOSA-N 1 0 318.461 3.009 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000174343480 528992725 /nfs/dbraw/zinc/99/27/25/528992725.db2.gz FQDBDWDTLYZZAK-MLGOLLRUSA-N 1 0 310.388 3.059 10 0 DGAERO CC1(C)COCCN1CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436240388 529132807 /nfs/dbraw/zinc/13/28/07/529132807.db2.gz QRLMRYFLJNRQKH-QZTJIDSGSA-N 1 0 302.462 3.023 10 0 DGAERO CCCCc1noc([C@H](C)[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)n1 ZINC000451616054 535129764 /nfs/dbraw/zinc/12/97/64/535129764.db2.gz QUJJJNHBWSYOEG-OFQRWUPVSA-N 1 0 311.470 3.352 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000465441048 535449568 /nfs/dbraw/zinc/44/95/68/535449568.db2.gz RGYDNSQCMDZDMT-BFYDXBDKSA-N 1 0 309.498 3.232 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc(C)nc2C2CC2)CC1 ZINC000455804718 535450720 /nfs/dbraw/zinc/45/07/20/535450720.db2.gz CPOXIFRZOMNTBK-UHFFFAOYSA-N 1 0 315.461 3.119 10 0 DGAERO CN(CC[NH2+]C1CC(OCc2ccccc2)C1)C1CCCC1 ZINC000493891256 536387457 /nfs/dbraw/zinc/38/74/57/536387457.db2.gz LIKCETNRBCGSNU-UHFFFAOYSA-N 1 0 302.462 3.198 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)CN(Cc3ccccc3)C2)C1 ZINC000471824810 536706104 /nfs/dbraw/zinc/70/61/04/536706104.db2.gz UPGZMWXNUKBWGH-DSLXNQLJSA-N 1 0 302.462 3.054 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CC[C@H](OC)C2)cc1OCC(C)C ZINC000471820570 536898136 /nfs/dbraw/zinc/89/81/36/536898136.db2.gz NJDYHVIMFZATGE-CVEARBPZSA-N 1 0 307.434 3.387 10 0 DGAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000054075436 545699298 /nfs/dbraw/zinc/69/92/98/545699298.db2.gz CWHLBGQWIWSJDO-RNCFNFMXSA-N 1 0 301.217 3.265 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307821 545701018 /nfs/dbraw/zinc/70/10/18/545701018.db2.gz ZAARDRRXQJDURG-NSHDSACASA-N 1 0 315.244 3.342 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000073328072 545714037 /nfs/dbraw/zinc/71/40/37/545714037.db2.gz VTSTVPUERRPJBN-QFBILLFUSA-N 1 0 308.425 3.213 10 0 DGAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000079511230 545758431 /nfs/dbraw/zinc/75/84/31/545758431.db2.gz WASOYFYYSSABLG-YMTOWFKASA-N 1 0 301.217 3.313 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455343 545814509 /nfs/dbraw/zinc/81/45/09/545814509.db2.gz MRCFNDNQZBTCKC-CMPLNLGQSA-N 1 0 300.855 3.125 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457121 545815096 /nfs/dbraw/zinc/81/50/96/545815096.db2.gz QULOSCWMGMDQCN-SMDDNHRTSA-N 1 0 315.244 3.327 10 0 DGAERO C[C@H](CC(=O)N1CCC([NH+](C)C)CC1)Cc1ccc(Cl)cc1 ZINC000092878342 545851283 /nfs/dbraw/zinc/85/12/83/545851283.db2.gz SSSOPDBUXILHNS-AWEZNQCLSA-N 1 0 322.880 3.461 10 0 DGAERO c1cc([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n[nH]1 ZINC000121294902 545895168 /nfs/dbraw/zinc/89/51/68/545895168.db2.gz XJJZSNCXAJMVAU-HNNXBMFYSA-N 1 0 307.401 3.179 10 0 DGAERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)nc2ccccc12 ZINC000123800822 545909628 /nfs/dbraw/zinc/90/96/28/545909628.db2.gz WVJFHKMCVNJZNM-CABCVRRESA-N 1 0 311.429 3.098 10 0 DGAERO COc1ccc2cc(C[NH2+]CC[C@H](C)[S@@](C)=O)ccc2c1 ZINC000129503633 545943767 /nfs/dbraw/zinc/94/37/67/545943767.db2.gz YYWGRIPOULEFGH-ZSEKCTLFSA-N 1 0 305.443 3.095 10 0 DGAERO Cc1ccc(CC[N@@H+](Cc2cncnc2)C[C@@H]2CCCO2)cc1 ZINC000131078033 545954217 /nfs/dbraw/zinc/95/42/17/545954217.db2.gz SQJSZQGRMMXBQD-IBGZPJMESA-N 1 0 311.429 3.009 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1cccc2[nH]ccc21)c1ccccc1 ZINC000132493762 545963767 /nfs/dbraw/zinc/96/37/67/545963767.db2.gz ACLKWRSFQTYPAQ-GOSISDBHSA-N 1 0 307.397 3.201 10 0 DGAERO C[C@H](NC(=O)C[NH2+]C1CC1)c1c(Cl)ccc(F)c1Cl ZINC000154125112 546015325 /nfs/dbraw/zinc/01/53/25/546015325.db2.gz CLQURKZKQJUGJM-ZETCQYMHSA-N 1 0 305.180 3.062 10 0 DGAERO C[NH+](C)C1CCN(Cc2ncc(-c3ccccc3)s2)CC1 ZINC000156097454 546031929 /nfs/dbraw/zinc/03/19/29/546031929.db2.gz LLUWZMLBWYPFHM-UHFFFAOYSA-N 1 0 301.459 3.336 10 0 DGAERO CC(C)[N@H+](C[C@H](O)CN(C)Cc1ccccc1)C1CCCC1 ZINC000157626912 546041871 /nfs/dbraw/zinc/04/18/71/546041871.db2.gz ZFLXXENCGBIQLU-LJQANCHMSA-N 1 0 304.478 3.132 10 0 DGAERO CSc1ccc(OCC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000173528905 546104203 /nfs/dbraw/zinc/10/42/03/546104203.db2.gz OWJARAVQFZIGKT-CABCVRRESA-N 1 0 308.491 3.202 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000178332510 546128937 /nfs/dbraw/zinc/12/89/37/546128937.db2.gz HOSQZOPPUXNONJ-MRXNPFEDSA-N 1 0 321.428 3.108 10 0 DGAERO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cc1ccccc1 ZINC000178921356 546131794 /nfs/dbraw/zinc/13/17/94/546131794.db2.gz LRACTOKSBKWBPS-UHFFFAOYSA-N 1 0 310.441 3.256 10 0 DGAERO CNC(=O)[C@H]([NH2+]Cc1sc2ccccc2c1Cl)C(C)C ZINC000178950871 546132753 /nfs/dbraw/zinc/13/27/53/546132753.db2.gz OHDDKAXJFKLWJU-CQSZACIVSA-N 1 0 310.850 3.415 10 0 DGAERO C[NH+](C)C1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000179727636 546137949 /nfs/dbraw/zinc/13/79/49/546137949.db2.gz PBECPAGLZIEICX-UHFFFAOYSA-N 1 0 321.896 3.466 10 0 DGAERO CCOCCN1CC[N@H+](CC(C)(C)c2ccccc2)C[C@@H]1CC ZINC000180087718 546141504 /nfs/dbraw/zinc/14/15/04/546141504.db2.gz NDWPKKWXTCSKRF-IBGZPJMESA-N 1 0 318.505 3.397 10 0 DGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2CC)C12CCCC2 ZINC000180403852 546144817 /nfs/dbraw/zinc/14/48/17/546144817.db2.gz NNYPVYAGHFKZSH-IRXDYDNUSA-N 1 0 305.466 3.152 10 0 DGAERO COc1ccccc1N1CCC([NH2+][C@@H](C)c2c[nH]nc2C)CC1 ZINC000180336767 546144827 /nfs/dbraw/zinc/14/48/27/546144827.db2.gz BRBQWJHWTYWHKS-ZDUSSCGKSA-N 1 0 314.433 3.046 10 0 DGAERO Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000180803815 546149072 /nfs/dbraw/zinc/14/90/72/546149072.db2.gz XCJDLRIBQXCJLA-LLVKDONJSA-N 1 0 314.364 3.406 10 0 DGAERO c1cc2cnccc2c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000181538873 546158247 /nfs/dbraw/zinc/15/82/47/546158247.db2.gz CJBIESNDMAWTRQ-SJLPKXTDSA-N 1 0 314.454 3.379 10 0 DGAERO NC(=O)CC[N@H+](Cc1ccccc1)Cc1cccc2cnccc21 ZINC000183004321 546171136 /nfs/dbraw/zinc/17/11/36/546171136.db2.gz MPVVRHDPQBYIBM-UHFFFAOYSA-N 1 0 319.408 3.112 10 0 DGAERO C[C@H]([NH2+]Cc1csc(Cc2ccccc2)n1)[C@@H]1CCCO1 ZINC000183173657 546173147 /nfs/dbraw/zinc/17/31/47/546173147.db2.gz VAWJWKXDPIARHU-BBRMVZONSA-N 1 0 302.443 3.391 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCOCC1 ZINC000187742949 546201343 /nfs/dbraw/zinc/20/13/43/546201343.db2.gz GYAIOJGILCCAMM-MJBXVCDLSA-N 1 0 309.372 3.139 10 0 DGAERO CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]3Cn3ccnc3)ccc2O1 ZINC000188403704 546205260 /nfs/dbraw/zinc/20/52/60/546205260.db2.gz WMABVWUYQNQOLR-KRWDZBQOSA-N 1 0 311.429 3.261 10 0 DGAERO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cccc3cnccc32)c1 ZINC000189018053 546209231 /nfs/dbraw/zinc/20/92/31/546209231.db2.gz UIVBHQNNJFWHNV-IBGZPJMESA-N 1 0 306.409 3.236 10 0 DGAERO C[C@H]1C[C@@H](c2nc(-c3ccc(Br)cc3)no2)CC[NH2+]1 ZINC000235724072 546278411 /nfs/dbraw/zinc/27/84/11/546278411.db2.gz SAWGZABHNHMGEW-ONGXEEELSA-N 1 0 322.206 3.355 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000236541037 546279313 /nfs/dbraw/zinc/27/93/13/546279313.db2.gz LUOLFOWQBGWJNS-WDEREUQCSA-N 1 0 318.642 3.496 10 0 DGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2CC)C12CCCC2 ZINC000245856439 546300341 /nfs/dbraw/zinc/30/03/41/546300341.db2.gz NNYPVYAGHFKZSH-IAGOWNOFSA-N 1 0 305.466 3.152 10 0 DGAERO COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1F ZINC000249210862 546325318 /nfs/dbraw/zinc/32/53/18/546325318.db2.gz CSMIDWWXOPGWEM-VQIMIIECSA-N 1 0 314.404 3.369 10 0 DGAERO CCCOc1ccc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])cc1OCCC ZINC000261853832 546338974 /nfs/dbraw/zinc/33/89/74/546338974.db2.gz PCOOXSFLPAIOOM-ZIAGYGMSSA-N 1 0 322.449 3.179 10 0 DGAERO Brc1cccc2[nH]cc(CC[NH2+][C@H]3CCCOC3)c21 ZINC000289765980 546414335 /nfs/dbraw/zinc/41/43/35/546414335.db2.gz LXDNJGFLQFJFFL-LBPRGKRZSA-N 1 0 323.234 3.242 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCOCc1ccccc1 ZINC000309786168 546451361 /nfs/dbraw/zinc/45/13/61/546451361.db2.gz GLSHPQRZLGYPLZ-CEXWTWQISA-N 1 0 303.446 3.219 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000312555348 546453447 /nfs/dbraw/zinc/45/34/47/546453447.db2.gz XSRSFFALAMOOBE-YMTOWFKASA-N 1 0 316.232 3.442 10 0 DGAERO CN(C(=O)Nc1nc(C2CCC2)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000333353326 546505862 /nfs/dbraw/zinc/50/58/62/546505862.db2.gz RSESIRMPPSEEFU-GFCCVEGCSA-N 1 0 308.451 3.016 10 0 DGAERO CC(C)[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c2ccccc21 ZINC000333828398 546512642 /nfs/dbraw/zinc/51/26/42/546512642.db2.gz SHSGKSGNGKQPMN-MJSCVDMRSA-N 1 0 315.461 3.311 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)CCN1Cc1ccccc1 ZINC000379656826 546734796 /nfs/dbraw/zinc/73/47/96/546734796.db2.gz QPXQOSUUPRUHHR-QRQLOZEOSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000381072116 546737191 /nfs/dbraw/zinc/73/71/91/546737191.db2.gz PQSBYBLFHQJMGL-IRXDYDNUSA-N 1 0 312.457 3.433 10 0 DGAERO Cc1cnc(C)c(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000381078101 546737800 /nfs/dbraw/zinc/73/78/00/546737800.db2.gz RWHSMSQPTYMUTP-SFHVURJKSA-N 1 0 310.445 3.418 10 0 DGAERO Fc1cc(Br)ccc1CCC[NH2+]C1CSC1 ZINC000381496580 546741076 /nfs/dbraw/zinc/74/10/76/546741076.db2.gz BYWXBYDIQKNFFU-UHFFFAOYSA-N 1 0 304.228 3.226 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000395261938 546761726 /nfs/dbraw/zinc/76/17/26/546761726.db2.gz RGURFYRCZVJVNN-CABZTGNLSA-N 1 0 322.206 3.355 10 0 DGAERO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397555265 546761924 /nfs/dbraw/zinc/76/19/24/546761924.db2.gz KNUGASPTECWMPN-REPLKXPHSA-N 1 0 312.457 3.061 10 0 DGAERO CC1(C)C[C@@H]([NH2+]Cc2cccc(F)c2Br)CO1 ZINC000396529818 546762708 /nfs/dbraw/zinc/76/27/08/546762708.db2.gz YSQVYRKEDYIGMP-SNVBAGLBSA-N 1 0 302.187 3.245 10 0 DGAERO Cc1cncc(CC[NH2+]Cc2cc(F)ccc2Br)n1 ZINC000402766478 546765736 /nfs/dbraw/zinc/76/57/36/546765736.db2.gz GYKMJFJTZDYPAQ-UHFFFAOYSA-N 1 0 324.197 3.019 10 0 DGAERO c1cncc(CC2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)c1 ZINC000459478369 546892845 /nfs/dbraw/zinc/89/28/45/546892845.db2.gz IDDZLNUWCBCJII-UHFFFAOYSA-N 1 0 308.429 3.204 10 0 DGAERO O=C(C[NH2+][C@H](Cc1ccccc1)C1CCCCC1)NCC1CC1 ZINC000495421292 546937804 /nfs/dbraw/zinc/93/78/04/546937804.db2.gz PJMZFINWNBAUAJ-LJQANCHMSA-N 1 0 314.473 3.294 10 0 DGAERO OCC1([C@@H]([NH2+]Cc2cccc(F)c2)c2ccncc2)CCC1 ZINC000606444486 547040138 /nfs/dbraw/zinc/04/01/38/547040138.db2.gz WMRQXIITYBYKAI-KRWDZBQOSA-N 1 0 300.377 3.214 10 0 DGAERO C[C@H]1CCN(c2ccc(Cl)c(Br)c2)CC[NH2+]1 ZINC000675059517 548148813 /nfs/dbraw/zinc/14/88/13/548148813.db2.gz QUBBUYJZWKAGPI-VIFPVBQESA-N 1 0 303.631 3.291 10 0 DGAERO COc1ccc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000675055574 548148940 /nfs/dbraw/zinc/14/89/40/548148940.db2.gz VEWUHQISQSJIGL-DZGCQCFKSA-N 1 0 306.406 3.013 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(Br)cn1 ZINC000684553815 549657237 /nfs/dbraw/zinc/65/72/37/549657237.db2.gz VKTDXTYOSCKBHK-WDMOLILDSA-N 1 0 313.239 3.046 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712501111 563316157 /nfs/dbraw/zinc/31/61/57/563316157.db2.gz NOKBYQOHXQGHML-MRXNPFEDSA-N 1 0 308.447 3.120 10 0 DGAERO C[C@@H](C(=O)OCCOc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000741029567 574525362 /nfs/dbraw/zinc/52/53/62/574525362.db2.gz QAVXMLHQYQZUSY-AWEZNQCLSA-N 1 0 309.381 3.012 10 0 DGAERO C[C@@H]1CN(C(=O)c2c(Cl)cccc2Cl)C[C@@]1(C)C[NH3+] ZINC000311997921 574528559 /nfs/dbraw/zinc/52/85/59/574528559.db2.gz POMLGGHSKNTIEJ-YMTOWFKASA-N 1 0 301.217 3.050 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000724109102 563496534 /nfs/dbraw/zinc/49/65/34/563496534.db2.gz FCMPWKVAQVMSMH-SJCJKPOMSA-N 1 0 322.474 3.414 10 0 DGAERO CC(C)(C)OC(=O)NC1(C)CCC2(CC1)[NH2+]CCc1occc12 ZINC000725242551 563525726 /nfs/dbraw/zinc/52/57/26/563525726.db2.gz FJRRFGZGDQTQPX-UHFFFAOYSA-N 1 0 320.433 3.478 10 0 DGAERO CCCCCCOCC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000730769506 574535626 /nfs/dbraw/zinc/53/56/26/574535626.db2.gz MNHFYWBCZINDBO-UHFFFAOYSA-N 1 0 312.498 3.354 10 0 DGAERO Fc1c(Br)cccc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000725269888 563575752 /nfs/dbraw/zinc/57/57/52/563575752.db2.gz RHSUTMSIGCFIRV-AAEUAGOBSA-N 1 0 314.198 3.103 10 0 DGAERO Fc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1Br ZINC000725270289 563576240 /nfs/dbraw/zinc/57/62/40/563576240.db2.gz ZOIUIRGZWGOYLB-BXUZGUMPSA-N 1 0 314.198 3.103 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)C1 ZINC000730935256 574539326 /nfs/dbraw/zinc/53/93/26/574539326.db2.gz AJTJLUJPOVRAMZ-AWEZNQCLSA-N 1 0 313.445 3.363 10 0 DGAERO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000731676338 574556550 /nfs/dbraw/zinc/55/65/50/574556550.db2.gz MOYIFKGJQMRYNB-RBUKOAKNSA-N 1 0 306.409 3.377 10 0 DGAERO Cc1cc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)ccc1F ZINC000675052819 563856013 /nfs/dbraw/zinc/85/60/13/563856013.db2.gz FQPGXERFAQVCBI-HIFRSBDPSA-N 1 0 308.397 3.452 10 0 DGAERO COc1ccc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1 ZINC000675054457 563861690 /nfs/dbraw/zinc/86/16/90/563861690.db2.gz NQGMQUYOEZBJMW-UKRRQHHQSA-N 1 0 306.406 3.095 10 0 DGAERO Cc1ccc(F)c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675054467 563861716 /nfs/dbraw/zinc/86/17/16/563861716.db2.gz NQZAITDFPRHSFZ-SWLSCSKDSA-N 1 0 308.397 3.452 10 0 DGAERO CCCCCC[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000731866475 574561051 /nfs/dbraw/zinc/56/10/51/574561051.db2.gz JBEZGCKVUPYHAY-UHFFFAOYSA-N 1 0 318.465 3.132 10 0 DGAERO C/C(=C/C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(F)c1 ZINC000731985028 574564164 /nfs/dbraw/zinc/56/41/64/574564164.db2.gz NFLUPMPOJZOQOJ-LCYFTJDESA-N 1 0 322.343 3.448 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccc(F)c1 ZINC000732064848 574565782 /nfs/dbraw/zinc/56/57/82/574565782.db2.gz HEPPWCDJAWPZGJ-NKAIQICCSA-N 1 0 316.420 3.316 10 0 DGAERO C/C(=C/C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732058128 574565910 /nfs/dbraw/zinc/56/59/10/574565910.db2.gz WFIKHFVKGZCOJF-SZGZABIGSA-N 1 0 304.409 3.220 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1cccc(F)c1 ZINC000732280934 574570479 /nfs/dbraw/zinc/57/04/79/574570479.db2.gz JVTZRVBKEIYVJI-SHRNQRGKSA-N 1 0 304.409 3.218 10 0 DGAERO C[NH+](C)CC[C@H](NC(=S)NCc1ccccc1)C(C)(C)C ZINC000734766190 574674898 /nfs/dbraw/zinc/67/48/98/574674898.db2.gz SYEJLZGNLPFHTR-HNNXBMFYSA-N 1 0 307.507 3.017 10 0 DGAERO C[NH+]1CCC(CNC(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC000735580187 574706622 /nfs/dbraw/zinc/70/66/22/574706622.db2.gz LIVDVZMUWLLKOM-UHFFFAOYSA-N 1 0 321.509 3.376 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC2(C1)CCCCC2 ZINC000741863281 574973815 /nfs/dbraw/zinc/97/38/15/574973815.db2.gz IMASQVOXKVCOCE-OAHLLOKOSA-N 1 0 309.523 3.001 10 0 DGAERO Cc1cn2c([nH+]1)N[C@@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000236044478 575839389 /nfs/dbraw/zinc/83/93/89/575839389.db2.gz SHLMSQSJERUWKQ-ZIAGYGMSSA-N 1 0 320.437 3.023 10 0 DGAERO c1cnc(N2CCC[C@H]([NH2+]CCCC3CCCCC3)C2)nc1 ZINC000395153396 575948777 /nfs/dbraw/zinc/94/87/77/575948777.db2.gz PEWLNJHWLQTHOH-KRWDZBQOSA-N 1 0 302.466 3.396 10 0 DGAERO c1[nH]nc2cc(C[NH2+]CCN3CCCc4ccccc43)ccc12 ZINC000727467721 576126792 /nfs/dbraw/zinc/12/67/92/576126792.db2.gz BKAHMSUVMQYPPW-UHFFFAOYSA-N 1 0 306.413 3.105 10 0 DGAERO CCC[NH+](CCC)CN1C(=O)NC2(CCC(C(C)C)CC2)C1=O ZINC000727816757 576147056 /nfs/dbraw/zinc/14/70/56/576147056.db2.gz KKZALJZPWFGDQR-UHFFFAOYSA-N 1 0 323.481 3.203 10 0 DGAERO CC[C@@H](C)OCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000153336581 620551456 /nfs/dbraw/zinc/55/14/56/620551456.db2.gz QFJFNINOIPRFFA-MRXNPFEDSA-N 1 0 319.445 3.257 10 0 DGAERO CSC[C@@H](C)C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989927 621071343 /nfs/dbraw/zinc/07/13/43/621071343.db2.gz XLQJZOQDTXONRC-WBVHZDCISA-N 1 0 321.486 3.441 10 0 DGAERO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cscn1 ZINC000114990221 621071521 /nfs/dbraw/zinc/07/15/21/621071521.db2.gz QQGGVYZDDATAMS-OAHLLOKOSA-N 1 0 316.426 3.212 10 0 DGAERO CSC[C@H](C)C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989925 621071568 /nfs/dbraw/zinc/07/15/68/621071568.db2.gz XLQJZOQDTXONRC-RDJZCZTQSA-N 1 0 321.486 3.441 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)/C=C/c2cccs2)ccc1F ZINC000115415869 621111446 /nfs/dbraw/zinc/11/14/46/621111446.db2.gz WAPGXBJMCJWJEY-SOFGYWHQSA-N 1 0 318.417 3.278 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@@H](O)c2cc(F)ccc2F)cc1C ZINC000103144429 621265463 /nfs/dbraw/zinc/26/54/63/621265463.db2.gz OFZUJBSVQBURAP-QGZVFWFLSA-N 1 0 321.367 3.447 10 0 DGAERO S=C1OCCN1C[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000116870160 621300427 /nfs/dbraw/zinc/30/04/27/621300427.db2.gz HSJNXCLCAUZPFV-UHFFFAOYSA-N 1 0 324.877 3.169 10 0 DGAERO C[N@H+](CCCOC(=O)CCc1ccoc1)Cc1ccccc1 ZINC000129468319 625643983 /nfs/dbraw/zinc/64/39/83/625643983.db2.gz ICFGBSOSTIGYBW-UHFFFAOYSA-N 1 0 301.386 3.278 10 0 DGAERO C[C@@H](O)C1CC[NH+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000128611106 625049761 /nfs/dbraw/zinc/04/97/61/625049761.db2.gz YOGPDCMUOHZPMQ-GFCCVEGCSA-N 1 0 304.821 3.481 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000135301486 626922153 /nfs/dbraw/zinc/92/21/53/626922153.db2.gz POTPLRXIHJRAPU-UHFFFAOYSA-N 1 0 316.804 3.484 10 0 DGAERO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cnccc2C)cn1 ZINC000886093413 627101774 /nfs/dbraw/zinc/10/17/74/627101774.db2.gz LLTDCEJYYNBJCI-RVKKMQEKSA-N 1 0 314.433 3.035 10 0 DGAERO COc1cc(-c2nnc([C@H]3CCC[N@H+](C)[C@H]3C)o2)ccc1C ZINC000886097191 627101810 /nfs/dbraw/zinc/10/18/10/627101810.db2.gz ZYSPUOOMVJGAPL-JSGCOSHPSA-N 1 0 301.390 3.251 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000219013300 627134456 /nfs/dbraw/zinc/13/44/56/627134456.db2.gz HCBQXQGZPLFMRL-MFKMUULPSA-N 1 0 305.390 3.376 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000219013232 627134811 /nfs/dbraw/zinc/13/48/11/627134811.db2.gz HCBQXQGZPLFMRL-GWCFXTLKSA-N 1 0 305.390 3.376 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000220932848 627212153 /nfs/dbraw/zinc/21/21/53/627212153.db2.gz OLAWFRFIBNIAJZ-KGLIPLIRSA-N 1 0 323.437 3.281 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1Br ZINC000301041550 627286601 /nfs/dbraw/zinc/28/66/01/627286601.db2.gz WOSYMXSGPJHRQX-PRHODGIISA-N 1 0 304.253 3.334 10 0 DGAERO CCOC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000223970839 627319891 /nfs/dbraw/zinc/31/98/91/627319891.db2.gz YFCXVCUGDPNVHK-ILXRZTDVSA-N 1 0 314.470 3.179 10 0 DGAERO C[C@@H]([NH3+])CCc1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000104063011 630378125 /nfs/dbraw/zinc/37/81/25/630378125.db2.gz OQBIINOQMSDKJA-MRVPVSSYSA-N 1 0 300.189 3.247 10 0 DGAERO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)o1 ZINC000105433662 630710055 /nfs/dbraw/zinc/71/00/55/630710055.db2.gz PXFVQEHUIBHBOS-GXTWGEPZSA-N 1 0 308.422 3.407 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)/C=C(/C)Cc1ccccc1OC ZINC000106926811 631487812 /nfs/dbraw/zinc/48/78/12/631487812.db2.gz USSKRYQJOWMDKV-UGEDRFTOSA-N 1 0 318.461 3.031 10 0 DGAERO CC(C)C(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000110120717 632469189 /nfs/dbraw/zinc/46/91/89/632469189.db2.gz GBMFPPDIPUGPDY-ZDUSSCGKSA-N 1 0 311.372 3.376 10 0 DGAERO CCc1ccc([C@H](COC)[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)o1 ZINC000184817244 660188769 /nfs/dbraw/zinc/18/87/69/660188769.db2.gz DENCOOLLLOSOKK-ZWKOTPCHSA-N 1 0 317.429 3.470 10 0 DGAERO CCSCC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000185297290 660213892 /nfs/dbraw/zinc/21/38/92/660213892.db2.gz FMORIPXMTNKMJI-OLZOCXBDSA-N 1 0 302.484 3.023 10 0 DGAERO [NH2+]=C(NCc1ncc(-c2ccccc2)cn1)Nc1ccccc1 ZINC000185498606 660225491 /nfs/dbraw/zinc/22/54/91/660225491.db2.gz PVBZDDNDEPDEGL-UHFFFAOYSA-N 1 0 303.369 3.280 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1Br ZINC000227807597 659164302 /nfs/dbraw/zinc/16/43/02/659164302.db2.gz POMQVXHIUKJFOZ-ZJUUUORDSA-N 1 0 304.253 3.212 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccc(Cl)s1 ZINC000252388595 660458720 /nfs/dbraw/zinc/45/87/20/660458720.db2.gz FVXBUKUNHIPXSO-YFKTTZPYSA-N 1 0 312.866 3.499 10 0 DGAERO CC(C)C[C@@H]([NH3+])Cc1nc(CSc2ccc(F)cc2)no1 ZINC000132424195 660492649 /nfs/dbraw/zinc/49/26/49/660492649.db2.gz ADEGLAJQYBDCME-GFCCVEGCSA-N 1 0 309.410 3.417 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000700079128 660612156 /nfs/dbraw/zinc/61/21/56/660612156.db2.gz GJOOZEJRKWOSJC-QKPAOTATSA-N 1 0 320.477 3.412 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H](C)SC2)CCN1C(=O)OC(C)(C)C ZINC000700753324 660633017 /nfs/dbraw/zinc/63/30/17/660633017.db2.gz HWNHHTBTORFIPP-SYQHCUMBSA-N 1 0 314.495 3.258 10 0 DGAERO COc1ccccc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000700745424 660634409 /nfs/dbraw/zinc/63/44/09/660634409.db2.gz RLAPHOQKVWNRBR-DZGCQCFKSA-N 1 0 320.433 3.183 10 0 DGAERO CC(C)C[NH+]1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1 ZINC000172100274 660661172 /nfs/dbraw/zinc/66/11/72/660661172.db2.gz BOXYXAWLDNPOJL-BQYQJAHWSA-N 1 0 323.440 3.048 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000701735319 660682037 /nfs/dbraw/zinc/68/20/37/660682037.db2.gz RSXGXLCKLWVLFK-LALPHHSUSA-N 1 0 318.408 3.457 10 0 DGAERO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000701918396 660691566 /nfs/dbraw/zinc/69/15/66/660691566.db2.gz FEXNSSANNBPIAR-FRRDWIJNSA-N 1 0 302.484 3.116 10 0 DGAERO O[C@H](C[NH2+]CC[C@@H]1CC1(F)F)c1cccc(Br)c1 ZINC000701954741 660693369 /nfs/dbraw/zinc/69/33/69/660693369.db2.gz GMADNGZDOPAGRF-ZYHUDNBSSA-N 1 0 320.177 3.117 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000701956646 660693988 /nfs/dbraw/zinc/69/39/88/660693988.db2.gz SLXLDTKCPDGHIN-HUUCEWRRSA-N 1 0 324.371 3.032 10 0 DGAERO C[C@H](F)CC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000702620453 660731843 /nfs/dbraw/zinc/73/18/43/660731843.db2.gz TYMIGWCSYFPMKA-IHRRRGAJSA-N 1 0 302.434 3.408 10 0 DGAERO OCCCCCCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000173642285 660755683 /nfs/dbraw/zinc/75/56/83/660755683.db2.gz HBUCAYDXWAGYDJ-INIZCTEOSA-N 1 0 305.418 3.495 10 0 DGAERO Brc1cncc(C[NH2+]CCC2SCCS2)c1 ZINC000703345780 660777521 /nfs/dbraw/zinc/77/75/21/660777521.db2.gz APSIVNUIBYMFNG-UHFFFAOYSA-N 1 0 319.293 3.130 10 0 DGAERO Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000703509369 660780217 /nfs/dbraw/zinc/78/02/17/660780217.db2.gz ZFJQFZAFGFFBNF-HNNXBMFYSA-N 1 0 319.449 3.127 10 0 DGAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C2 ZINC000703595679 660784223 /nfs/dbraw/zinc/78/42/23/660784223.db2.gz ZKHAQABFRHVYCT-LKFCYVNXSA-N 1 0 314.216 3.067 10 0 DGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000704698061 660815146 /nfs/dbraw/zinc/81/51/46/660815146.db2.gz ULYLHIDOSGKLSF-WDEREUQCSA-N 1 0 308.834 3.425 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704840963 660822814 /nfs/dbraw/zinc/82/28/14/660822814.db2.gz MHHLDTJWRDAKCR-MRXNPFEDSA-N 1 0 301.459 3.164 10 0 DGAERO CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC000705990677 660841383 /nfs/dbraw/zinc/84/13/83/660841383.db2.gz ZVDPCVIRMQEYFD-ILXRZTDVSA-N 1 0 314.470 3.083 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]CC[C@@H]2CC2(F)F)CCCN1C(=O)OC(C)(C)C ZINC000706512991 660861757 /nfs/dbraw/zinc/86/17/57/660861757.db2.gz PJDYSWSHHVHHFD-UPJWGTAASA-N 1 0 318.408 3.409 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000706513983 660861888 /nfs/dbraw/zinc/86/18/88/660861888.db2.gz VTSLCYYPWIZLST-JHJVBQTASA-N 1 0 318.408 3.267 10 0 DGAERO CSC1CC([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000706816326 660873422 /nfs/dbraw/zinc/87/34/22/660873422.db2.gz ALNCSYDAWLOODC-KBHBFKLGSA-N 1 0 314.495 3.163 10 0 DGAERO COc1nsc(C[NH2+][C@H](C)C2(C)CC2)c1Br ZINC000706937726 660882237 /nfs/dbraw/zinc/88/22/37/660882237.db2.gz VQPXQEYNABLXQK-SSDOTTSWSA-N 1 0 305.241 3.192 10 0 DGAERO C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000707921717 660915603 /nfs/dbraw/zinc/91/56/03/660915603.db2.gz TXRIFQATNKNYLY-CLWVCHIJSA-N 1 0 308.466 3.410 10 0 DGAERO C[C@H]1CN(C(=O)c2sc3ccccc3c2Cl)C[C@H]1C[NH3+] ZINC000708872290 660923741 /nfs/dbraw/zinc/92/37/41/660923741.db2.gz WSVMTXHVWGZMPE-VHSXEESVSA-N 1 0 308.834 3.222 10 0 DGAERO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000709219581 660927937 /nfs/dbraw/zinc/92/79/37/660927937.db2.gz QNOCOKYFZJZJLN-CQSZACIVSA-N 1 0 309.251 3.084 10 0 DGAERO Fc1c(Br)cccc1C[NH2+]CCc1ccns1 ZINC000709895566 660930957 /nfs/dbraw/zinc/93/09/57/660930957.db2.gz CRWZNHFMTRUKKV-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO CC(C)[C@@H](CC[NH2+][C@@H](C)c1cn(C)cn1)NC(=O)OC(C)(C)C ZINC000709910638 660931333 /nfs/dbraw/zinc/93/13/33/660931333.db2.gz LHODJOWVVJUINP-UONOGXRCSA-N 1 0 324.469 3.010 10 0 DGAERO Fc1cc(C[NH2+]CCc2ccns2)ccc1Br ZINC000709985285 660931615 /nfs/dbraw/zinc/93/16/15/660931615.db2.gz SHHCXRJQXKHIDX-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO CN(CCCCCC[NH3+])C(=O)c1ccc(Br)cc1 ZINC000710749556 660934533 /nfs/dbraw/zinc/93/45/33/660934533.db2.gz IDYAPVUBILPRGS-UHFFFAOYSA-N 1 0 313.239 3.040 10 0 DGAERO CN(CCCCCC[NH3+])C(=O)c1cc(F)c(Cl)cc1F ZINC000710836529 660935844 /nfs/dbraw/zinc/93/58/44/660935844.db2.gz JXILTZNYKRRNCH-UHFFFAOYSA-N 1 0 304.768 3.209 10 0 DGAERO Cc1ccccc1C[C@@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710923082 660938897 /nfs/dbraw/zinc/93/88/97/660938897.db2.gz GQLNLWCYMWEDTM-OAHLLOKOSA-N 1 0 318.461 3.383 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1 ZINC000711455570 660954033 /nfs/dbraw/zinc/95/40/33/660954033.db2.gz IJQCOZYFEDIKQO-UHFFFAOYSA-N 1 0 308.397 3.219 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCSC(C)(C)C)C1 ZINC000711476202 660954206 /nfs/dbraw/zinc/95/42/06/660954206.db2.gz NBSOXXUVNVOHII-UHFFFAOYSA-N 1 0 316.511 3.411 10 0 DGAERO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000711358218 660948232 /nfs/dbraw/zinc/94/82/32/660948232.db2.gz FRTOZZCAIIUQHO-LLVKDONJSA-N 1 0 300.374 3.185 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCCC(C)(F)F)C1 ZINC000711410440 660950708 /nfs/dbraw/zinc/95/07/08/660950708.db2.gz MIONDQSRWZNNBZ-UHFFFAOYSA-N 1 0 306.397 3.315 10 0 DGAERO COc1cccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000711425778 660951640 /nfs/dbraw/zinc/95/16/40/660951640.db2.gz NQCISJYEHWGUPY-GASCZTMLSA-N 1 0 320.433 3.088 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCc2ccccc2)C1 ZINC000711447810 660953334 /nfs/dbraw/zinc/95/33/34/660953334.db2.gz LTBKMJIZXLQKPT-UHFFFAOYSA-N 1 0 304.434 3.122 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CS1 ZINC000711489034 660955194 /nfs/dbraw/zinc/95/51/94/660955194.db2.gz CWHFXFHGVAEJLY-NELGMTEASA-N 1 0 314.495 3.163 10 0 DGAERO Cn1ccc(C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1 ZINC000711628961 660959958 /nfs/dbraw/zinc/95/99/58/660959958.db2.gz YYJVIFYDWPJQLG-QAPCUYQASA-N 1 0 319.449 3.047 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3nccs3)CCC[C@@H]12 ZINC000711651671 660961475 /nfs/dbraw/zinc/96/14/75/660961475.db2.gz UQVZBVAAVCJHCT-MLGOLLRUSA-N 1 0 323.462 3.165 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cscn3)CCC[C@H]12 ZINC000711651488 660961517 /nfs/dbraw/zinc/96/15/17/660961517.db2.gz SQNFYHUPLZIQAI-BBRMVZONSA-N 1 0 323.462 3.165 10 0 DGAERO C[C@@]1(CNCc2nccn2C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000711726109 660962228 /nfs/dbraw/zinc/96/22/28/660962228.db2.gz ODBONCPXBDHOMR-FQEVSTJZSA-N 1 0 324.472 3.362 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)/C=C(\C)Cc1ccccc1OC ZINC000254977929 655551710 /nfs/dbraw/zinc/55/17/10/655551710.db2.gz USSKRYQJOWMDKV-MDJJKAFGSA-N 1 0 318.461 3.031 10 0 DGAERO C[C@H]([NH2+]CCS(=O)(=O)C1CCCCC1)c1cccs1 ZINC000235526858 655590888 /nfs/dbraw/zinc/59/08/88/655590888.db2.gz APADPUCAORPGJH-LBPRGKRZSA-N 1 0 301.477 3.146 10 0 DGAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000175851130 655661804 /nfs/dbraw/zinc/66/18/04/655661804.db2.gz AECSVKOTGQKSTH-CYBMUJFWSA-N 1 0 323.380 3.176 10 0 DGAERO Brc1cccc(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000069466375 655691138 /nfs/dbraw/zinc/69/11/38/655691138.db2.gz XONDVCYZNKVUHU-UHFFFAOYSA-N 1 0 324.266 3.156 10 0 DGAERO C(=C\c1ccccc1)\C[NH+]1CCN(c2ccc3cc[nH]c3n2)CC1 ZINC000096834593 655700198 /nfs/dbraw/zinc/70/01/98/655700198.db2.gz KRFIHFOQAVMUSS-DAXSKMNVSA-N 1 0 318.424 3.398 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc(Br)cn1)[C@@H]1CCCOC1 ZINC000724005953 655735332 /nfs/dbraw/zinc/73/53/32/655735332.db2.gz BFFRMRKCADPXOB-RISCZKNCSA-N 1 0 313.239 3.139 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccncc1Br)[C@@H]1CCCOC1 ZINC000724012818 655736261 /nfs/dbraw/zinc/73/62/61/655736261.db2.gz QCPINWMOPVWBHK-TZMCWYRMSA-N 1 0 313.239 3.139 10 0 DGAERO CC[C@H]([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCCOC1 ZINC000724013572 655736328 /nfs/dbraw/zinc/73/63/28/655736328.db2.gz XCOLLNISBUKZIC-BARDWOONSA-N 1 0 314.470 3.083 10 0 DGAERO CC[C@H]([NH2+]Cc1occc1Br)[C@H]1CCCOC1 ZINC000724015515 655736958 /nfs/dbraw/zinc/73/69/58/655736958.db2.gz VGBWMYHFDPUGBO-JQWIXIFHSA-N 1 0 302.212 3.337 10 0 DGAERO CC(C)(C)OCC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724094591 655741518 /nfs/dbraw/zinc/74/15/18/655741518.db2.gz ZZBXDILVFCOBIV-KGLIPLIRSA-N 1 0 314.470 3.085 10 0 DGAERO C[N@H+](CCc1cccs1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724114203 655743530 /nfs/dbraw/zinc/74/35/30/655743530.db2.gz MEJYMVGTXWXHHO-JTQLQIEISA-N 1 0 317.323 3.171 10 0 DGAERO C[N@H+](CCCOC(=O)/C=C\c1cccnc1)Cc1ccccc1 ZINC000255510175 655782052 /nfs/dbraw/zinc/78/20/52/655782052.db2.gz PXUIZVDZNJQZHV-KHPPLWFESA-N 1 0 310.397 3.160 10 0 DGAERO Clc1ccc(Cc2noc([C@@H]3CCC[NH2+]C3)n2)cc1Cl ZINC000050038017 655788264 /nfs/dbraw/zinc/78/82/64/655788264.db2.gz XHIHNHUFBMTKCI-SNVBAGLBSA-N 1 0 312.200 3.434 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)cc1Cl ZINC000724668773 655807094 /nfs/dbraw/zinc/80/70/94/655807094.db2.gz KYKDYMIAVZSQOD-NOBRSGAKSA-N 1 0 316.228 3.448 10 0 DGAERO C[C@H]([NH2+]Cc1cn(C)nc1Br)C1CCCCC1 ZINC000712468659 661188645 /nfs/dbraw/zinc/18/86/45/661188645.db2.gz BNVQQQPJZNKCTB-JTQLQIEISA-N 1 0 300.244 3.241 10 0 DGAERO Cn1cc(C[NH2+][C@H](C2CC2)C(C)(C)C)c(Br)n1 ZINC000712494725 661189054 /nfs/dbraw/zinc/18/90/54/661189054.db2.gz AWEPHWFAQYOBKI-LLVKDONJSA-N 1 0 300.244 3.097 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C)[nH]1 ZINC000724793065 655811999 /nfs/dbraw/zinc/81/19/99/655811999.db2.gz MIFSANKXNWEOPT-QGZVFWFLSA-N 1 0 324.469 3.056 10 0 DGAERO CO[C@H]1CCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713015841 661189664 /nfs/dbraw/zinc/18/96/64/661189664.db2.gz QDLYKXYOIZLZLO-QWRGUYRKSA-N 1 0 304.253 3.210 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713015842 661189782 /nfs/dbraw/zinc/18/97/82/661189782.db2.gz QDLYKXYOIZLZLO-WDEREUQCSA-N 1 0 304.253 3.210 10 0 DGAERO Cc1nc(C[NH2+]CCc2sccc2Br)[nH]c1C ZINC000713001735 661189892 /nfs/dbraw/zinc/18/98/92/661189892.db2.gz DOMJTTRTRDUBRX-UHFFFAOYSA-N 1 0 314.252 3.183 10 0 DGAERO Cc1nnsc1C[NH2+]CCc1sccc1Br ZINC000713115571 661190223 /nfs/dbraw/zinc/19/02/23/661190223.db2.gz FYIJXHNIHZYCQU-UHFFFAOYSA-N 1 0 318.265 3.003 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000724914995 655829203 /nfs/dbraw/zinc/82/92/03/655829203.db2.gz RMESOARKMCWJDF-PBNFFQIGSA-N 1 0 312.479 3.012 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000724917763 655829451 /nfs/dbraw/zinc/82/94/51/655829451.db2.gz MCGYFAGEYSOEHD-YHECAPGISA-N 1 0 316.626 3.106 10 0 DGAERO Brc1cnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)s1 ZINC000713626132 661192610 /nfs/dbraw/zinc/19/26/10/661192610.db2.gz VVJCCTCWDKZXGN-CBLAIPOGSA-N 1 0 319.293 3.422 10 0 DGAERO OCC[C@@H]([NH2+]Cc1ccc(Br)o1)C1CCCC1 ZINC000725084501 655854360 /nfs/dbraw/zinc/85/43/60/655854360.db2.gz GRXJJUYWCOFROJ-GFCCVEGCSA-N 1 0 302.212 3.073 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c(Br)n1 ZINC000713873847 661195244 /nfs/dbraw/zinc/19/52/44/661195244.db2.gz LIMAQMIORXPFAJ-CYBMUJFWSA-N 1 0 312.255 3.337 10 0 DGAERO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)C1 ZINC000714361081 661198624 /nfs/dbraw/zinc/19/86/24/661198624.db2.gz OTPTZGCSMLJAFI-XHSDSOJGSA-N 1 0 301.496 3.148 10 0 DGAERO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000714341978 661198706 /nfs/dbraw/zinc/19/87/06/661198706.db2.gz JLGFDUALXPTZAX-NSHDSACASA-N 1 0 322.257 3.050 10 0 DGAERO CC(C)C1CCC(C[NH2+]CC[C@H]2CCCS2(=O)=O)CC1 ZINC000714360472 661198815 /nfs/dbraw/zinc/19/88/15/661198815.db2.gz JVXRUCWZOBMDLY-UYSNPLJNSA-N 1 0 301.496 3.006 10 0 DGAERO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000714342946 661198952 /nfs/dbraw/zinc/19/89/52/661198952.db2.gz SFKZGWWLOUJMHO-ZDUSSCGKSA-N 1 0 322.257 3.050 10 0 DGAERO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000179346646 655889514 /nfs/dbraw/zinc/88/95/14/655889514.db2.gz ZEWABDIIOFYODI-CJNGLKHVSA-N 1 0 311.385 3.272 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000714622625 661200422 /nfs/dbraw/zinc/20/04/22/661200422.db2.gz AGOLJPLTHDYHQV-PGUXBMHVSA-N 1 0 310.235 3.451 10 0 DGAERO Brc1c[nH]c(C[NH2+]CCSc2ccccc2)n1 ZINC000310405512 655906778 /nfs/dbraw/zinc/90/67/78/655906778.db2.gz HXYHMEZNUPWDBB-UHFFFAOYSA-N 1 0 312.236 3.054 10 0 DGAERO [NH3+][C@@H]1C[C@@H](NCc2ncc(Br)s2)c2ccccc21 ZINC000714924111 661204928 /nfs/dbraw/zinc/20/49/28/661204928.db2.gz HEHAVRZHSIBTRQ-GHMZBOCLSA-N 1 0 324.247 3.140 10 0 DGAERO C[C@H](NC(=O)CCCCC[NH3+])c1ccccc1Br ZINC000037014521 661213791 /nfs/dbraw/zinc/21/37/91/661213791.db2.gz XVXDFHCCXMYTIH-NSHDSACASA-N 1 0 313.239 3.145 10 0 DGAERO C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(Cl)s1 ZINC000037020849 661213816 /nfs/dbraw/zinc/21/38/16/661213816.db2.gz SQEKCOQFLPHPHT-GWCFXTLKSA-N 1 0 320.845 3.293 10 0 DGAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000715099427 661208077 /nfs/dbraw/zinc/20/80/77/661208077.db2.gz WYVPLPCPPHLODY-MJVIPROJSA-N 1 0 313.228 3.252 10 0 DGAERO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@]1(C)CCCS1)C1CC1 ZINC000327906695 656008511 /nfs/dbraw/zinc/00/85/11/656008511.db2.gz PZNUGXVHXADNND-CJNGLKHVSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)CC1(C)OCCO1 ZINC000715910627 661215618 /nfs/dbraw/zinc/21/56/18/661215618.db2.gz OLUOEDSRLLULLA-ZLPCBKJTSA-N 1 0 319.445 3.113 10 0 DGAERO CCCn1cc([C@H](C)[NH2+][C@@H](C)CCOCc2ccccc2)nn1 ZINC000715922219 661215911 /nfs/dbraw/zinc/21/59/11/661215911.db2.gz OKMQHTUQKHVNQO-HOTGVXAUSA-N 1 0 316.449 3.334 10 0 DGAERO C[C@H](C[NH2+]C1CC(c2ccccc2F)C1)CC1(C)OCCO1 ZINC000715952015 661216408 /nfs/dbraw/zinc/21/64/08/661216408.db2.gz FOFNRHPBBHIBCO-NFOMZHRRSA-N 1 0 307.409 3.451 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C/C=C\CNC(=O)OC(C)(C)C)C12CCC2 ZINC000309696590 656041186 /nfs/dbraw/zinc/04/11/86/656041186.db2.gz SRWKUJOOKLEDDK-YOVCOIKASA-N 1 0 324.465 3.005 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccns1 ZINC000715974874 661217415 /nfs/dbraw/zinc/21/74/15/661217415.db2.gz GKHSAYMBGWMXMO-LZWOXQAQSA-N 1 0 301.459 3.457 10 0 DGAERO Cc1ccnc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000328164229 656055703 /nfs/dbraw/zinc/05/57/03/656055703.db2.gz ITPZHXGYUPUNIM-HOCLYGCPSA-N 1 0 319.449 3.125 10 0 DGAERO c1ccc(COC2CC([NH2+]C[C@@H]3CSCCS3)C2)cc1 ZINC000716240058 661220226 /nfs/dbraw/zinc/22/02/26/661220226.db2.gz CPGSTIMBLQYRAH-UYSNPLJNSA-N 1 0 309.500 3.172 10 0 DGAERO Cc1n[nH]c(C[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)c1C ZINC000716474505 661223499 /nfs/dbraw/zinc/22/34/99/661223499.db2.gz YYDXSUWHKDVENJ-LBPRGKRZSA-N 1 0 324.469 3.200 10 0 DGAERO Cc1n[nH]c(C[NH2+]Cc2csc(Br)c2)c1C ZINC000716456998 661224106 /nfs/dbraw/zinc/22/41/06/661224106.db2.gz SRYCNNKQXLUHBH-UHFFFAOYSA-N 1 0 300.225 3.140 10 0 DGAERO C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000716569280 661224587 /nfs/dbraw/zinc/22/45/87/661224587.db2.gz XSJHSVJXSFKDOM-JTQLQIEISA-N 1 0 315.244 3.040 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccc(F)cc1F)N(C)C(=O)OC(C)(C)C ZINC000310006292 656130149 /nfs/dbraw/zinc/13/01/49/656130149.db2.gz VPFUSTQLHVVICS-NSHDSACASA-N 1 0 314.376 3.310 10 0 DGAERO CCn1ccnc1CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716699229 661227597 /nfs/dbraw/zinc/22/75/97/661227597.db2.gz LQRVPIQIJXJPIR-FHWLQOOXSA-N 1 0 324.472 3.046 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1cccc(F)c1Br ZINC000716831225 661229344 /nfs/dbraw/zinc/22/93/44/661229344.db2.gz QQHKHUXLTFHQHC-GXSJLCMTSA-N 1 0 304.203 3.227 10 0 DGAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000188953937 656150527 /nfs/dbraw/zinc/15/05/27/656150527.db2.gz ZUQSYLLNCAIODG-INIZCTEOSA-N 1 0 311.381 3.380 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1c(F)cccc1Br ZINC000716842953 661229722 /nfs/dbraw/zinc/22/97/22/661229722.db2.gz IUDVDZIVTZLIJK-VHSXEESVSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(Br)cc1F ZINC000716886314 661230159 /nfs/dbraw/zinc/23/01/59/661230159.db2.gz PPOLGQICFOEVPB-CABZTGNLSA-N 1 0 304.203 3.227 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CC[C@H]2C[C@H]21)C1CN(C(=O)OC(C)(C)C)C1 ZINC000717013051 661237505 /nfs/dbraw/zinc/23/75/05/661237505.db2.gz HLDDJXLUKKUXMU-YXWQFLTLSA-N 1 0 308.466 3.268 10 0 DGAERO CN1c2ccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)cc2CCC1=O ZINC000187233494 661239744 /nfs/dbraw/zinc/23/97/44/661239744.db2.gz CNEVXGZVDKBCPX-RTBURBONSA-N 1 0 320.436 3.489 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717093630 661247440 /nfs/dbraw/zinc/24/74/40/661247440.db2.gz IKOAVMXRDPWVES-UPJWGTAASA-N 1 0 318.408 3.124 10 0 DGAERO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2F)CC[C@H]1C(F)(F)F ZINC000717152220 661255797 /nfs/dbraw/zinc/25/57/97/661255797.db2.gz JWJKUHYHAYVPOH-ZYHUDNBSSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@H]1CN(Cc2ccc(Cl)cc2F)CC[C@@H]1C(F)(F)F ZINC000717151667 661255818 /nfs/dbraw/zinc/25/58/18/661255818.db2.gz HXZPPJPKGFGAKT-JQWIXIFHSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@@H]1CN(Cc2cc(F)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000717157642 661255896 /nfs/dbraw/zinc/25/58/96/661255896.db2.gz YKCHENVYBZOEEB-CMPLNLGQSA-N 1 0 310.722 3.191 10 0 DGAERO CC1(C)CO[C@H](CC[NH2+]Cc2ccc(Br)cn2)C1 ZINC000717325290 661261977 /nfs/dbraw/zinc/26/19/77/661261977.db2.gz FBLUSZUQBKVJAM-CYBMUJFWSA-N 1 0 313.239 3.139 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNCc1cscc1Br ZINC000336677358 656501225 /nfs/dbraw/zinc/50/12/25/656501225.db2.gz BNFDXNPBVKTZTO-JTQLQIEISA-N 1 0 305.285 3.331 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccn1 ZINC000723832602 656501737 /nfs/dbraw/zinc/50/17/37/656501737.db2.gz OEQZSDFNTSHZET-QLFBSQMISA-N 1 0 319.449 3.235 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000723954244 656504724 /nfs/dbraw/zinc/50/47/24/656504724.db2.gz XROQVBUQOOUDND-AABGKKOBSA-N 1 0 316.489 3.446 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000724059860 656507384 /nfs/dbraw/zinc/50/73/84/656507384.db2.gz UPQLQRIGKPIBMI-JMSVASOKSA-N 1 0 318.408 3.315 10 0 DGAERO CC(C)O[C@@]1(C[NH2+]Cc2cc(F)cc(Cl)c2)CCOC1 ZINC000722355528 656507785 /nfs/dbraw/zinc/50/77/85/656507785.db2.gz FTKIQJFQMFHDCG-OAHLLOKOSA-N 1 0 301.789 3.153 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000187363710 661284949 /nfs/dbraw/zinc/28/49/49/661284949.db2.gz NMWMEXQCMLHMHH-WCQYABFASA-N 1 0 311.813 3.163 10 0 DGAERO C[C@H](C[NH3+])c1noc(-c2cccc(Br)c2Cl)n1 ZINC000228455636 656854280 /nfs/dbraw/zinc/85/42/80/656854280.db2.gz WVCIBLNYQVANJV-ZCFIWIBFSA-N 1 0 316.586 3.215 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC([C@H](C)[NH3+])CC3)c2c1C ZINC000261662861 656952026 /nfs/dbraw/zinc/95/20/26/656952026.db2.gz KRQNQQXTVRRPMG-JTQLQIEISA-N 1 0 304.463 3.180 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)Cn1nccc1-c1ccncc1 ZINC000067094490 656983672 /nfs/dbraw/zinc/98/36/72/656983672.db2.gz VNEMALPKXSMECH-UHFFFAOYSA-N 1 0 310.376 3.216 10 0 DGAERO CCN(C)[C@@H](C(=O)OCCC[C@H]1CCCO1)c1ccccc1 ZINC000248491021 657029142 /nfs/dbraw/zinc/02/91/42/657029142.db2.gz ILJQIITYNDSHQI-IAGOWNOFSA-N 1 0 305.418 3.182 10 0 DGAERO C/C(=C\c1ccccc1Cl)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178886573 657096726 /nfs/dbraw/zinc/09/67/26/657096726.db2.gz KYTWNJOESDOGJG-FQNOHDAGSA-N 1 0 304.821 3.050 10 0 DGAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261822001 657116217 /nfs/dbraw/zinc/11/62/17/657116217.db2.gz ARSMFEKALDIILY-RVKKMQEKSA-N 1 0 304.478 3.402 10 0 DGAERO C[C@@H](C[NH3+])c1noc(-c2ccc(Br)cc2Cl)n1 ZINC000054158929 657120897 /nfs/dbraw/zinc/12/08/97/657120897.db2.gz CEVSCRZJFMRDAE-LURJTMIESA-N 1 0 316.586 3.215 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000250215013 657455382 /nfs/dbraw/zinc/45/53/82/657455382.db2.gz SMWIMVZVIUVCHM-RTBURBONSA-N 1 0 311.425 3.436 10 0 DGAERO Cc1conc1C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000720359585 657474209 /nfs/dbraw/zinc/47/42/09/657474209.db2.gz XUIXWIASHANGLT-IAGOWNOFSA-N 1 0 300.402 3.457 10 0 DGAERO Cc1cc2c(nc(-c3ccccc3)nc2N2CC[NH2+]CC2)s1 ZINC000096204927 657512975 /nfs/dbraw/zinc/51/29/75/657512975.db2.gz ZYARVEPRHSJXSN-UHFFFAOYSA-N 1 0 310.426 3.076 10 0 DGAERO CC[C@@]1(CO)CCC[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000251794110 657535450 /nfs/dbraw/zinc/53/54/50/657535450.db2.gz LZFMSYHLCHTMGC-WBVHZDCISA-N 1 0 322.836 3.070 10 0 DGAERO CN(C/C=C\c1ccccc1)c1cc(C2CC[NH2+]CC2)ncn1 ZINC000096839714 657557339 /nfs/dbraw/zinc/55/73/39/657557339.db2.gz LVNODNWDKNWKLY-YVMONPNESA-N 1 0 308.429 3.093 10 0 DGAERO COCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC000304349924 657626938 /nfs/dbraw/zinc/62/69/38/657626938.db2.gz WYLSFJSFAAKIAY-CQSZACIVSA-N 1 0 322.449 3.178 10 0 DGAERO CSc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)cc1 ZINC000720408810 657696840 /nfs/dbraw/zinc/69/68/40/657696840.db2.gz DIZIBKFJESJITO-JKSUJKDBSA-N 1 0 308.516 3.078 10 0 DGAERO Brc1ccccc1-c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000054301578 657762494 /nfs/dbraw/zinc/76/24/94/657762494.db2.gz CMNVMTWBWNLNHO-SNVBAGLBSA-N 1 0 322.206 3.041 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)oc1C ZINC000188499107 657778020 /nfs/dbraw/zinc/77/80/20/657778020.db2.gz HQTAINWEAIGMRO-UONOGXRCSA-N 1 0 323.437 3.074 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc2ncccc12 ZINC000720485831 657795826 /nfs/dbraw/zinc/79/58/26/657795826.db2.gz BEZLLKDTLVPKLJ-UHFFFAOYSA-N 1 0 315.417 3.239 10 0 DGAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000262901589 658060100 /nfs/dbraw/zinc/06/01/00/658060100.db2.gz DQKMNCDPFQFNJI-LPHOPBHVSA-N 1 0 316.445 3.142 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@@H]1C(F)(F)F ZINC000720841938 658149685 /nfs/dbraw/zinc/14/96/85/658149685.db2.gz AUXQBSFDYICBMA-KOLCDFICSA-N 1 0 310.722 3.048 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)o1 ZINC000720850266 658150812 /nfs/dbraw/zinc/15/08/12/658150812.db2.gz PAXFRYRDBDDWQW-DLOVCJGASA-N 1 0 300.196 3.089 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000721874209 658316499 /nfs/dbraw/zinc/31/64/99/658316499.db2.gz ZEWIEYFMHMKHGZ-SNVBAGLBSA-N 1 0 303.233 3.168 10 0 DGAERO Cc1ccncc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721874310 658319189 /nfs/dbraw/zinc/31/91/89/658319189.db2.gz QNDQAOKAXMTMGX-HNNXBMFYSA-N 1 0 319.449 3.125 10 0 DGAERO Cc1ccccc1[C@@H]1CCC[N@@H+]1CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000054566161 658653821 /nfs/dbraw/zinc/65/38/21/658653821.db2.gz XGIWYBLHXYGBGW-KSZLIROESA-N 1 0 324.424 3.041 10 0 DGAERO CC1(C)[C@@H]([NH2+]Cc2csc(N)n2)C[C@@H]1OCc1ccccc1 ZINC000721335415 658726429 /nfs/dbraw/zinc/72/64/29/658726429.db2.gz HNLNKDNFLHUADX-GJZGRUSLSA-N 1 0 317.458 3.199 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cncs1 ZINC000721938835 658762910 /nfs/dbraw/zinc/76/29/10/658762910.db2.gz IYFATVZHHRQZLN-GRYCIOLGSA-N 1 0 311.451 3.049 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000721892947 658802784 /nfs/dbraw/zinc/80/27/84/658802784.db2.gz VYPRDPYKDAJVAU-DGCLKSJQSA-N 1 0 318.408 3.409 10 0 DGAERO C[C@H]1CCCN(Cc2cccc(F)c2Br)[C@@H]1C[NH3+] ZINC000157010660 658976647 /nfs/dbraw/zinc/97/66/47/658976647.db2.gz CODGCRWVRKDPCU-GXFFZTMASA-N 1 0 315.230 3.147 10 0 DGAERO Clc1ccc(C[NH2+]Cc2cnc3n2CCOC3)cc1Cl ZINC000722878276 659040541 /nfs/dbraw/zinc/04/05/41/659040541.db2.gz FEJUWVXBPALBAM-UHFFFAOYSA-N 1 0 312.200 3.010 10 0 DGAERO C[C@@H]1CN(c2cc(C(F)(F)F)cc(Cl)n2)C[C@@H]1[NH+](C)C ZINC000225825322 659084374 /nfs/dbraw/zinc/08/43/74/659084374.db2.gz UNWAFRSYGADRBI-SCZZXKLOSA-N 1 0 307.747 3.140 10 0 DGAERO CCCCCCOc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000157937500 659128848 /nfs/dbraw/zinc/12/88/48/659128848.db2.gz GONISUHGPVVGIW-INIZCTEOSA-N 1 0 304.434 3.209 10 0 DGAERO Cc1sc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1Br ZINC000227778475 659163802 /nfs/dbraw/zinc/16/38/02/659163802.db2.gz QTTOCVCRRWLXDZ-QPUJVOFHSA-N 1 0 304.253 3.476 10 0 DGAERO Cc1cccnc1C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000229095050 659236744 /nfs/dbraw/zinc/23/67/44/659236744.db2.gz AYMMNCKAJXBMAC-HUUCEWRRSA-N 1 0 319.449 3.173 10 0 DGAERO CC(C)Nc1ncnc2c1ncn2C[N@H+](C1CC1)C1CCCC1 ZINC000170789811 659236950 /nfs/dbraw/zinc/23/69/50/659236950.db2.gz BDSZJHVISMDSGF-UHFFFAOYSA-N 1 0 314.437 3.011 10 0 DGAERO OCCCCCCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000173642297 659395860 /nfs/dbraw/zinc/39/58/60/659395860.db2.gz HBUCAYDXWAGYDJ-MRXNPFEDSA-N 1 0 305.418 3.495 10 0 DGAERO Clc1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)s1 ZINC000312612164 659547864 /nfs/dbraw/zinc/54/78/64/659547864.db2.gz KNZBFWWINYZVTE-WDEREUQCSA-N 1 0 321.273 3.008 10 0 DGAERO Cc1cc(C)cc([C@@H](O)CN2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000174747504 659624025 /nfs/dbraw/zinc/62/40/25/659624025.db2.gz RSFQCSYYVYVZNR-IBGZPJMESA-N 1 0 318.505 3.391 10 0 DGAERO C[N@H+](CCNC(=O)Nc1cccnc1Cl)C1CCCCC1 ZINC000069070661 659974124 /nfs/dbraw/zinc/97/41/24/659974124.db2.gz ZPGBBBWHGYMQPN-UHFFFAOYSA-N 1 0 310.829 3.121 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353521755 659995575 /nfs/dbraw/zinc/99/55/75/659995575.db2.gz SLCLPJRTEHGBNW-AYOQOUSVSA-N 1 0 324.472 3.287 10 0 DGAERO C[C@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCCN1Cc1ccccc1 ZINC000353671907 660017346 /nfs/dbraw/zinc/01/73/46/660017346.db2.gz MJBREAJKXRTDDG-UYAOXDASSA-N 1 0 324.472 3.431 10 0 DGAERO FC(F)(F)c1ccc(C2CC[NH+](Cn3cnnc3)CC2)cc1 ZINC000182617349 660066756 /nfs/dbraw/zinc/06/67/56/660066756.db2.gz KJOXUHJKLQDWSI-UHFFFAOYSA-N 1 0 310.323 3.134 10 0 DGAERO Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1O ZINC000182653783 660069440 /nfs/dbraw/zinc/06/94/40/660069440.db2.gz TUXPGULGTODTSU-SFHVURJKSA-N 1 0 317.816 3.278 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@H](C)C[C@@H](O)c2ccco2)cc1 ZINC000182677955 660071227 /nfs/dbraw/zinc/07/12/27/660071227.db2.gz KDIBJONGGSRKQR-CKEIUWERSA-N 1 0 303.402 3.494 10 0 DGAERO COCCC1(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000183167947 660103468 /nfs/dbraw/zinc/10/34/68/660103468.db2.gz SFMSPYYKNZVNJX-QGZVFWFLSA-N 1 0 317.429 3.011 10 0 DGAERO Cc1cncc(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000183188650 660104176 /nfs/dbraw/zinc/10/41/76/660104176.db2.gz MDUXZGNVPXGBNW-SFHVURJKSA-N 1 0 310.397 3.211 10 0 DGAERO O=C(CC1CCOCC1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183189522 660104217 /nfs/dbraw/zinc/10/42/17/660104217.db2.gz IPWNQMBITUNHDW-SFHVURJKSA-N 1 0 317.429 3.011 10 0 DGAERO Cc1cccnc1/C=C/C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000183440345 660112203 /nfs/dbraw/zinc/11/22/03/660112203.db2.gz CNNVVTWPQSMPKW-JJDZQTOISA-N 1 0 315.461 3.030 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccc(F)c(Br)c1 ZINC000071302180 660114431 /nfs/dbraw/zinc/11/44/31/660114431.db2.gz ZUCLXQWQQMMLOS-OQPBUACISA-N 1 0 302.187 3.010 10 0 DGAERO CC[C@@H]1C[C@H](C(=O)OCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000183488748 660118004 /nfs/dbraw/zinc/11/80/04/660118004.db2.gz NSMBXJGZDKFKES-QZTJIDSGSA-N 1 0 319.445 3.257 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)CCCSC(C)(C)C)CC[N@@H+]1C ZINC000155991508 661856563 /nfs/dbraw/zinc/85/65/63/661856563.db2.gz OLUHBJIIFWYQHQ-UONOGXRCSA-N 1 0 300.512 3.239 10 0 DGAERO CC[N@H+](CCc1nccs1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000159436395 661888232 /nfs/dbraw/zinc/88/82/32/661888232.db2.gz ZJTVDHNMGABVEL-CQSZACIVSA-N 1 0 310.850 3.395 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)C[C@H](O)c1ccc(F)cc1 ZINC000159761828 661894978 /nfs/dbraw/zinc/89/49/78/661894978.db2.gz IYGWUNIJBFKOLO-HNNXBMFYSA-N 1 0 308.422 3.269 10 0 DGAERO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccccn2)cc1Cl ZINC000188164304 661919205 /nfs/dbraw/zinc/91/92/05/661919205.db2.gz SGQPYNAYCQTENO-UHFFFAOYSA-N 1 0 305.765 3.366 10 0 DGAERO O[C@H](C[N@H+](C[C@@H]1CCCO1)C1CCCC1)c1ccccc1F ZINC000075831378 661950708 /nfs/dbraw/zinc/95/07/08/661950708.db2.gz USQGTVFDOOTAKB-MAUKXSAKSA-N 1 0 307.409 3.283 10 0 DGAERO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)nc2ccccc12 ZINC000189252492 661970900 /nfs/dbraw/zinc/97/09/00/661970900.db2.gz WICYYSBQEXCRQT-CYBMUJFWSA-N 1 0 318.804 3.416 10 0 DGAERO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)CC3CC3)C2=O)c(C)c1 ZINC000190967344 662050330 /nfs/dbraw/zinc/05/03/30/662050330.db2.gz JJTGPRIEVRBHTI-RDJZCZTQSA-N 1 0 300.446 3.495 10 0 DGAERO CC1(C)C[N@H+](C[C@H](O)c2ccc(F)cc2)CC2(CCCC2)O1 ZINC000190980564 662050968 /nfs/dbraw/zinc/05/09/68/662050968.db2.gz CFNKEKGMBIECTQ-INIZCTEOSA-N 1 0 307.409 3.283 10 0 DGAERO C[C@]1(c2nc(Cc3ccccc3Br)no2)CCC[NH2+]1 ZINC000079485916 662111498 /nfs/dbraw/zinc/11/14/98/662111498.db2.gz VKHRIDQFCCECNS-CQSZACIVSA-N 1 0 322.206 3.022 10 0 DGAERO Cc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](C3CC3)CC1)[C@@H](C)C2 ZINC000192817256 662112079 /nfs/dbraw/zinc/11/20/79/662112079.db2.gz WHHLOUXWIWGMQN-LIRRHRJNSA-N 1 0 312.457 3.219 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccnn1C ZINC000192852974 662113050 /nfs/dbraw/zinc/11/30/50/662113050.db2.gz DRFQACBFGPBVOO-XPTSAGLGSA-N 1 0 314.216 3.111 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000193370246 662131795 /nfs/dbraw/zinc/13/17/95/662131795.db2.gz WMPPXRHFAPIAMP-KDOFPFPSSA-N 1 0 301.430 3.443 10 0 DGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000193522141 662137070 /nfs/dbraw/zinc/13/70/70/662137070.db2.gz YJAZPJIXWUHERY-MWLCHTKSSA-N 1 0 308.834 3.425 10 0 DGAERO Fc1cccc(F)c1CN1CCC[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194439171 662165630 /nfs/dbraw/zinc/16/56/30/662165630.db2.gz SFVDOVLXZCHJGB-CABCVRRESA-N 1 0 322.399 3.212 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3c(Cl)n2)C1 ZINC000194428965 662165724 /nfs/dbraw/zinc/16/57/24/662165724.db2.gz HELJXGBUAUBDIU-ZDUSSCGKSA-N 1 0 317.820 3.102 10 0 DGAERO O=C(/C=C/c1ccc(Cl)s1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195071789 662177673 /nfs/dbraw/zinc/17/76/73/662177673.db2.gz YMINEHLRGOUDFH-HOSRBBHYSA-N 1 0 310.850 3.111 10 0 DGAERO COc1ccc([C@H](C)[N@@H+]2CCC[C@H](CCC(N)=O)C2)cc1Cl ZINC000084647786 662202467 /nfs/dbraw/zinc/20/24/67/662202467.db2.gz SZYUPWRGJOWHAE-QWHCGFSZSA-N 1 0 324.852 3.387 10 0 DGAERO CCOCC(C)(C)[NH2+]Cc1nc(C)c(Br)s1 ZINC000719214329 662271640 /nfs/dbraw/zinc/27/16/40/662271640.db2.gz BEEFPVDKICXLIX-UHFFFAOYSA-N 1 0 307.257 3.119 10 0 DGAERO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(C(F)(F)F)s1 ZINC000718013026 662214492 /nfs/dbraw/zinc/21/44/92/662214492.db2.gz ISUVPWCDASOYBI-VIFPVBQESA-N 1 0 306.353 3.040 10 0 DGAERO [NH3+]C1CC(Cc2nc(Cc3c(Cl)cccc3Cl)no2)C1 ZINC000718032815 662214747 /nfs/dbraw/zinc/21/47/47/662214747.db2.gz NOIFUHWNEKSCNO-UHFFFAOYSA-N 1 0 312.200 3.247 10 0 DGAERO C[C@H](NC(=O)CC1CC([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000718090851 662221921 /nfs/dbraw/zinc/22/19/21/662221921.db2.gz IBHXPXLPUXOBBA-SILCLGDVSA-N 1 0 301.217 3.298 10 0 DGAERO CCc1cc(Br)ccc1NC(=O)CC1CC([NH3+])C1 ZINC000718134022 662231117 /nfs/dbraw/zinc/23/11/17/662231117.db2.gz PZZUWYWIBOITAP-UHFFFAOYSA-N 1 0 311.223 3.077 10 0 DGAERO Cc1cc(C)cc([C@@H](O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000245418751 662232777 /nfs/dbraw/zinc/23/27/77/662232777.db2.gz ANLKOCUUNRHHGL-AABGKKOBSA-N 1 0 316.489 3.284 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000245536932 662234879 /nfs/dbraw/zinc/23/48/79/662234879.db2.gz GDKIVYWTFVGCGA-FUHWJXTLSA-N 1 0 318.461 3.231 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000089431039 662243666 /nfs/dbraw/zinc/24/36/66/662243666.db2.gz YPRYYLWJMAENJW-VHSXEESVSA-N 1 0 322.206 3.342 10 0 DGAERO Clc1cc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)ccn1 ZINC000089952181 662250982 /nfs/dbraw/zinc/25/09/82/662250982.db2.gz CCVKGTHWLYPASE-KGLIPLIRSA-N 1 0 312.866 3.222 10 0 DGAERO CSCC1CCC([NH2+][C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000718494715 662257025 /nfs/dbraw/zinc/25/70/25/662257025.db2.gz UVZCGOBBZMGONQ-QDIHITRGSA-N 1 0 314.564 3.078 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]C/C=C\CNC(=O)OC(C)(C)C)CC1 ZINC000718734931 662261156 /nfs/dbraw/zinc/26/11/56/662261156.db2.gz MPBXOVSXVUFNAI-JBZXTQMFSA-N 1 0 312.454 3.005 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCCCCCC2)[C@@H](C)C1 ZINC000246490249 662261756 /nfs/dbraw/zinc/26/17/56/662261756.db2.gz RSEHUWKEEXAQBQ-DOTOQJQBSA-N 1 0 309.498 3.471 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1 ZINC000718843283 662263109 /nfs/dbraw/zinc/26/31/09/662263109.db2.gz RZUDXLQNLCUVIY-IPMKNSEASA-N 1 0 302.462 3.198 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1 ZINC000718843280 662263138 /nfs/dbraw/zinc/26/31/38/662263138.db2.gz RZUDXLQNLCUVIY-GUDVDZBRSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cccc(Cl)c1Cl ZINC000090468169 662264520 /nfs/dbraw/zinc/26/45/20/662264520.db2.gz KEXQPIKWKSPYRW-UWVGGRQHSA-N 1 0 322.257 3.221 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2CCCSC2)sc1Br ZINC000719239360 662272002 /nfs/dbraw/zinc/27/20/02/662272002.db2.gz AOOANCBGQMNQLG-VIFPVBQESA-N 1 0 321.309 3.447 10 0 DGAERO Cc1nc(C[NH2+]C[C@]23C[C@H]2CCC3)sc1Br ZINC000719241251 662272007 /nfs/dbraw/zinc/27/20/07/662272007.db2.gz PDVQZGXIGQSYTD-SKDRFNHKSA-N 1 0 301.253 3.494 10 0 DGAERO Cc1nc(C[NH2+]CCc2ccoc2)sc1Br ZINC000719275571 662272197 /nfs/dbraw/zinc/27/21/97/662272197.db2.gz VWXJVXOIADNQMR-UHFFFAOYSA-N 1 0 301.209 3.139 10 0 DGAERO Cc1nc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)sc1Br ZINC000719259583 662272223 /nfs/dbraw/zinc/27/22/23/662272223.db2.gz TZNGPLOIURXXDJ-PSASIEDQSA-N 1 0 319.268 3.261 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)sc1Br ZINC000719259589 662272256 /nfs/dbraw/zinc/27/22/56/662272256.db2.gz TZNGPLOIURXXDJ-WPRPVWTQSA-N 1 0 319.268 3.261 10 0 DGAERO Cc1nc(C[NH2+]CC[C@H]2CCSC2)sc1Br ZINC000719291760 662273349 /nfs/dbraw/zinc/27/33/49/662273349.db2.gz HAMCWWMAKOBHFE-VIFPVBQESA-N 1 0 321.309 3.447 10 0 DGAERO CSCC[C@H](C)[NH2+]Cc1nc(C)c(Br)s1 ZINC000719328805 662274602 /nfs/dbraw/zinc/27/46/02/662274602.db2.gz XAHMWRNOHCMOEK-ZETCQYMHSA-N 1 0 309.298 3.445 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1sccc1Br ZINC000719650439 662295488 /nfs/dbraw/zinc/29/54/88/662295488.db2.gz XNEQUIIVJCIOJO-NGZCFLSTSA-N 1 0 303.269 3.254 10 0 DGAERO O=C(CC[C@H]1CCCCO1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247174256 662302510 /nfs/dbraw/zinc/30/25/10/662302510.db2.gz RJCBEBPGMXXHEV-MSOLQXFVSA-N 1 0 317.429 3.153 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000720162975 662305845 /nfs/dbraw/zinc/30/58/45/662305845.db2.gz CGESSHTUVAQAEU-NXEZZACHSA-N 1 0 301.228 3.308 10 0 DGAERO C[C@H](CCc1ccco1)[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720231567 662306311 /nfs/dbraw/zinc/30/63/11/662306311.db2.gz SHOGELIMXXDVKG-SECBINFHSA-N 1 0 301.255 3.362 10 0 DGAERO Cc1cc(C)cc([C@@H](O)CN(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000247522033 662324788 /nfs/dbraw/zinc/32/47/88/662324788.db2.gz NMZZAZNRFBLSOU-MOPGFXCFSA-N 1 0 304.478 3.143 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2)[C@H]1c1ccccc1 ZINC000248076297 662333349 /nfs/dbraw/zinc/33/33/49/662333349.db2.gz RCNRFGHXDRTGOK-JEFIDEPBSA-N 1 0 306.409 3.261 10 0 DGAERO CC[C@H](C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000248266636 662338804 /nfs/dbraw/zinc/33/88/04/662338804.db2.gz YCQGARTUSIVJST-ROUUACIJSA-N 1 0 319.445 3.080 10 0 DGAERO CC(C)n1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000381050578 685154869 /nfs/dbraw/zinc/15/48/69/685154869.db2.gz GYBVNWUUEYLKFC-LPHOPBHVSA-N 1 0 312.461 3.217 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000381528494 685157217 /nfs/dbraw/zinc/15/72/17/685157217.db2.gz ZUCZSMACTHAHLV-QWRGUYRKSA-N 1 0 314.376 3.356 10 0 DGAERO CCSCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000381502520 685158073 /nfs/dbraw/zinc/15/80/73/685158073.db2.gz HMAPLFXDEWLZCN-CHWSQXEVSA-N 1 0 302.484 3.165 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+][C@H]1CCc2ccccc2C1 ZINC000381771492 685160226 /nfs/dbraw/zinc/16/02/26/685160226.db2.gz SJQLRBKQDNQQAH-TUYSUELWSA-N 1 0 316.445 3.214 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000382451063 685163359 /nfs/dbraw/zinc/16/33/59/685163359.db2.gz MTXCZYPGLAHDTE-MELADBBJSA-N 1 0 314.470 3.225 10 0 DGAERO CSC(C)(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000385225332 685173953 /nfs/dbraw/zinc/17/39/53/685173953.db2.gz MJDROSKUUXHRMU-NWDGAFQWSA-N 1 0 304.500 3.409 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390889326 685207164 /nfs/dbraw/zinc/20/71/64/685207164.db2.gz ZXNAVWACODZHOZ-OTWHNJEPSA-N 1 0 316.489 3.444 10 0 DGAERO Cc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccn1 ZINC000391169462 685209803 /nfs/dbraw/zinc/20/98/03/685209803.db2.gz GUKLZSMMROTFSE-BBRMVZONSA-N 1 0 319.449 3.125 10 0 DGAERO c1ccc(COCc2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)cc1 ZINC000395573486 685225634 /nfs/dbraw/zinc/22/56/34/685225634.db2.gz SVQSMHXORHGSRP-PMPSAXMXSA-N 1 0 313.401 3.380 10 0 DGAERO Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 ZINC000396615252 685227892 /nfs/dbraw/zinc/22/78/92/685227892.db2.gz GWXQOZVUOKOXFR-ZBFHGGJFSA-N 1 0 319.449 3.268 10 0 DGAERO CSc1ccc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000397759853 685231335 /nfs/dbraw/zinc/23/13/35/685231335.db2.gz URSNZSWOJCLFGS-UHFFFAOYSA-N 1 0 322.474 3.365 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CSc3ccccc32)C1 ZINC000397732743 685231709 /nfs/dbraw/zinc/23/17/09/685231709.db2.gz GJDOPHGCVIUMEM-AWEZNQCLSA-N 1 0 320.458 3.290 10 0 DGAERO Cc1ccnc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000328148469 1176638311 /nfs/dbraw/zinc/63/83/11/1176638311.db2.gz DQCZVUYMTAQTSR-UHFFFAOYSA-N 1 0 319.449 3.316 10 0 DGAERO c1cnc2ccc(C[NH2+]CCc3ccc4c(c3)OCCO4)cc2c1 ZINC000378891935 1176747394 /nfs/dbraw/zinc/74/73/94/1176747394.db2.gz LQFUILOODLMQOB-UHFFFAOYSA-N 1 0 320.392 3.338 10 0 DGAERO C[C@@H]1CN(Cc2cccc(F)c2N)CC[N@@H+]1Cc1ccccc1 ZINC000396354397 1176793815 /nfs/dbraw/zinc/79/38/15/1176793815.db2.gz BLWVZECIMPYMFN-OAHLLOKOSA-N 1 0 313.420 3.114 10 0 DGAERO CCCn1cncc1CNCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379631992 1176800360 /nfs/dbraw/zinc/80/03/60/1176800360.db2.gz MSAVWLXIPPZEFW-KRWDZBQOSA-N 1 0 314.477 3.293 10 0 DGAERO CCc1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc(Cl)n1 ZINC000228104831 1176805044 /nfs/dbraw/zinc/80/50/44/1176805044.db2.gz IIDKOFRUJYVTCQ-AWEZNQCLSA-N 1 0 311.857 3.004 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1cccc(Br)c1 ZINC000304286757 1176936493 /nfs/dbraw/zinc/93/64/93/1176936493.db2.gz IKOMZBZJJYXORO-UHFFFAOYSA-N 1 0 300.240 3.337 10 0 DGAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000398116455 1177016661 /nfs/dbraw/zinc/01/66/61/1177016661.db2.gz FXFBNWSGLCTMIG-UFYCRDLUSA-N 1 0 318.505 3.284 10 0 DGAERO CC(C)[C@H](C[NH2+]C1CC(C(C)C)C1)ONC(=O)OC(C)(C)C ZINC000398722161 1177028231 /nfs/dbraw/zinc/02/82/31/1177028231.db2.gz YYSCOKZXUWQXJB-NRXISQOPSA-N 1 0 314.470 3.492 10 0 DGAERO Brc1cscc1C[NH2+]CCC1CCOCC1 ZINC000309512353 1177100784 /nfs/dbraw/zinc/10/07/84/1177100784.db2.gz VGBOMTGOIARHLQ-UHFFFAOYSA-N 1 0 304.253 3.417 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H](C)O1 ZINC000384600185 1177107470 /nfs/dbraw/zinc/10/74/70/1177107470.db2.gz NONSCPRVVMTRQG-HZSPNIEDSA-N 1 0 314.470 3.178 10 0 DGAERO CC(C)(O)CC[NH2+]C1CC(c2ccccc2Br)C1 ZINC000385810931 1177214118 /nfs/dbraw/zinc/21/41/18/1177214118.db2.gz WTGHSPARXLSMCM-UHFFFAOYSA-N 1 0 312.251 3.446 10 0 DGAERO CN(CC[NH2+]Cc1cccc2cnccc21)Cc1ccccc1 ZINC000386881891 1177426778 /nfs/dbraw/zinc/42/67/78/1177426778.db2.gz MHJANPZIJVOYNT-UHFFFAOYSA-N 1 0 305.425 3.456 10 0 DGAERO CC(C)[C@H]1C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CCO1 ZINC000225591095 1177549078 /nfs/dbraw/zinc/54/90/78/1177549078.db2.gz SVCIDRIACWZHSB-LSDHHAIUSA-N 1 0 314.470 3.037 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000085357269 1177647061 /nfs/dbraw/zinc/64/70/61/1177647061.db2.gz TXZGBMYHAKRNFJ-JSGCOSHPSA-N 1 0 315.244 3.170 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cc(Br)ccc1F ZINC000085358601 1177648697 /nfs/dbraw/zinc/64/86/97/1177648697.db2.gz XBIVGYJFFMBNCC-KOLCDFICSA-N 1 0 315.186 3.044 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000085371544 1177713801 /nfs/dbraw/zinc/71/38/01/1177713801.db2.gz HBKJUANTHIOPLD-MWLCHTKSSA-N 1 0 318.751 3.397 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000085370644 1177714151 /nfs/dbraw/zinc/71/41/51/1177714151.db2.gz LBHHXDJNEWUERP-SKDRFNHKSA-N 1 0 304.287 3.301 10 0 DGAERO C[N@H+](CC1CCC(O)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388633886 1178075153 /nfs/dbraw/zinc/07/51/53/1178075153.db2.gz PKADAOHVXRBBLH-GPJFCIFZSA-N 1 0 316.489 3.134 10 0 DGAERO CC[C@@]1(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)CC[NH2+]C1 ZINC000062893446 1195269824 /nfs/dbraw/zinc/26/98/24/1195269824.db2.gz GESMIDHAWUZKLM-MRXNPFEDSA-N 1 0 310.825 3.455 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@@H](CCO)CSC)cc1Cl ZINC000077462155 1196598806 /nfs/dbraw/zinc/59/88/06/1196598806.db2.gz UFDALPMNLJULDW-ZDUSSCGKSA-N 1 0 315.866 3.108 10 0 DGAERO C=CCCCC(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000079605244 1196972743 /nfs/dbraw/zinc/97/27/43/1196972743.db2.gz QWWRWTVMJQVHJZ-SFHVURJKSA-N 1 0 300.446 3.166 10 0 DGAERO COc1cccc(C[NH2+]CCOCc2ccccc2)c1OC ZINC000080244391 1197054313 /nfs/dbraw/zinc/05/43/13/1197054313.db2.gz XOXAJSOUXOTOGI-UHFFFAOYSA-N 1 0 301.386 3.010 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289596 1197193372 /nfs/dbraw/zinc/19/33/72/1197193372.db2.gz ZBFBZGWYYDMTLK-APWZRJJASA-N 1 0 314.473 3.246 10 0 DGAERO CC(C)c1cc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)ncn1 ZINC000379680909 1197703203 /nfs/dbraw/zinc/70/32/03/1197703203.db2.gz OLRTYHOEXVKAHG-GOSISDBHSA-N 1 0 324.472 3.489 10 0 DGAERO Cc1nc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000379655793 1197703463 /nfs/dbraw/zinc/70/34/63/1197703463.db2.gz NBENNXULFMKXRI-LJQANCHMSA-N 1 0 320.440 3.150 10 0 DGAERO Cc1cc(C#N)cc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000379665668 1197703821 /nfs/dbraw/zinc/70/38/21/1197703821.db2.gz TXPOZGXDZZUSMA-LJQANCHMSA-N 1 0 320.440 3.150 10 0 DGAERO N#Cc1cc(F)c(NCC[N@H+]2CC=CCC2)cc1Br ZINC000392815113 1197717777 /nfs/dbraw/zinc/71/77/77/1197717777.db2.gz OVHYTKQLOIMXIH-UHFFFAOYSA-N 1 0 324.197 3.134 10 0 DGAERO CC[C@H]1CCC[C@H](C[NH2+]Cc2nn(C)cc2Br)C1 ZINC000394609281 1197722471 /nfs/dbraw/zinc/72/24/71/1197722471.db2.gz INYMCICICYUXTD-RYUDHWBXSA-N 1 0 314.271 3.489 10 0 DGAERO CC1(C)C[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CO1 ZINC000396921677 1197722888 /nfs/dbraw/zinc/72/28/88/1197722888.db2.gz JUGVLFYBASOHGM-ZWKOTPCHSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H]1CC[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)O1 ZINC000398089489 1197724170 /nfs/dbraw/zinc/72/41/70/1197724170.db2.gz OYDFBUPEOGZOME-ZIAGYGMSSA-N 1 0 314.470 3.179 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(SC(F)(F)F)cc1 ZINC000089742522 1198036712 /nfs/dbraw/zinc/03/67/12/1198036712.db2.gz DJSIQWDYJDFJGY-SECBINFHSA-N 1 0 304.337 3.237 10 0 DGAERO c1cn(-c2ccccc2)nc1C[NH2+]CCCCNc1ccccn1 ZINC000091059309 1198339445 /nfs/dbraw/zinc/33/94/45/1198339445.db2.gz MJBQTDORZCOBTK-UHFFFAOYSA-N 1 0 321.428 3.249 10 0 DGAERO Fc1cc(Br)cc(C[NH2+]CCN2CCCCC2)c1 ZINC000093982092 1198743402 /nfs/dbraw/zinc/74/34/02/1198743402.db2.gz DCUFRGHIBOBJMF-UHFFFAOYSA-N 1 0 315.230 3.164 10 0 DGAERO CCOc1cc(C[NH2+]CCCn2nc(C)cc2C)ccc1OC ZINC000098078565 1199191212 /nfs/dbraw/zinc/19/12/12/1199191212.db2.gz ADDQCCHGCSPEEI-UHFFFAOYSA-N 1 0 317.433 3.087 10 0 DGAERO c1cc2c(s1)CCN(CC[NH2+]Cc1cccc3cccnc31)C2 ZINC000098172544 1199204029 /nfs/dbraw/zinc/20/40/29/1199204029.db2.gz BTYMDDZGZBIVDI-UHFFFAOYSA-N 1 0 323.465 3.444 10 0 DGAERO CCSCCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401754871 1199417753 /nfs/dbraw/zinc/41/77/53/1199417753.db2.gz ZYXKKBWFHLBXLQ-ZIAGYGMSSA-N 1 0 316.511 3.365 10 0 DGAERO CC[C@](C)(C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)OC ZINC000401832911 1199421451 /nfs/dbraw/zinc/42/14/51/1199421451.db2.gz KFEDJBORIGMNOX-CKEIUWERSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403641222 1199513072 /nfs/dbraw/zinc/51/30/72/1199513072.db2.gz PUBKYMMMHLPMJN-OAWCYKKTSA-N 1 0 312.479 3.084 10 0 DGAERO CC(C)SCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404798915 1199585946 /nfs/dbraw/zinc/58/59/46/1199585946.db2.gz JVIOPQZYRLNYJZ-CHWSQXEVSA-N 1 0 316.511 3.409 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@H]2CSC2(C)C)C1(C)C ZINC000404827171 1199586874 /nfs/dbraw/zinc/58/68/74/1199586874.db2.gz VUUYZJIZXWRHOV-UTUOFQBUSA-N 1 0 314.495 3.162 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCC(F)F)C12CCC2 ZINC000405360552 1199598325 /nfs/dbraw/zinc/59/83/25/1199598325.db2.gz UAMAXHIPHIRSOT-WDEREUQCSA-N 1 0 304.381 3.067 10 0 DGAERO CC1(C)C[C@@H]1[NH2+]Cc1ccccc1I ZINC000306719901 1199696939 /nfs/dbraw/zinc/69/69/39/1199696939.db2.gz YRJDYFZVCODERG-NSHDSACASA-N 1 0 301.171 3.179 10 0 DGAERO CC(C)OCCCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309740069 1199709209 /nfs/dbraw/zinc/70/92/09/1199709209.db2.gz ROZCKPVBHPRIMB-LJQANCHMSA-N 1 0 304.478 3.446 10 0 DGAERO CSCCCCCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000312377405 1199751366 /nfs/dbraw/zinc/75/13/66/1199751366.db2.gz QPGKGEOJPCZVAD-UHFFFAOYSA-N 1 0 315.504 3.103 10 0 DGAERO Clc1cccc(Cl)c1C[NH2+]CCOC[C@H]1CCCO1 ZINC000115625091 1199756447 /nfs/dbraw/zinc/75/64/47/1199756447.db2.gz AKAFUAQZWUWJSZ-LLVKDONJSA-N 1 0 304.217 3.279 10 0 DGAERO c1ccc(CN2CCC[C@@H]([NH2+]CCOCC3CCCC3)C2)cc1 ZINC000313278281 1199760431 /nfs/dbraw/zinc/76/04/31/1199760431.db2.gz FPYCYSOLAJLEMQ-HXUWFJFHSA-N 1 0 316.489 3.447 10 0 DGAERO CC(C)OCCCC[NH2+]Cc1cc(O)ccc1Br ZINC000315266711 1199802981 /nfs/dbraw/zinc/80/29/81/1199802981.db2.gz RHZLGSFVESYUNQ-UHFFFAOYSA-N 1 0 316.239 3.450 10 0 DGAERO C=CC[NH2+]Cc1cc(Br)ccc1OCCOCC ZINC000119565112 1200086557 /nfs/dbraw/zinc/08/65/57/1200086557.db2.gz LCNXYDWIXPYJOY-UHFFFAOYSA-N 1 0 314.223 3.140 10 0 DGAERO Clc1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cn1 ZINC000123664042 1200284825 /nfs/dbraw/zinc/28/48/25/1200284825.db2.gz VDIGZUQVKKYVJI-ZIAGYGMSSA-N 1 0 312.866 3.222 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](CO)SC)cc1Cl ZINC000152489750 1202594574 /nfs/dbraw/zinc/59/45/74/1202594574.db2.gz GWIGPBFKCZXUBV-NHYWBVRUSA-N 1 0 315.866 3.107 10 0 DGAERO c1ccc(OC2CCCC2)c(C[NH2+]CCCO[C@@H]2CCOC2)c1 ZINC000153053328 1202595889 /nfs/dbraw/zinc/59/58/89/1202595889.db2.gz IXLPEBYJSRSTTL-GOSISDBHSA-N 1 0 319.445 3.293 10 0 DGAERO CC[C@H]1CN(CCOc2ccccc2C)CCN1CC(F)F ZINC000153393521 1202596211 /nfs/dbraw/zinc/59/62/11/1202596211.db2.gz XRDGWLULFMYMPJ-HNNXBMFYSA-N 1 0 312.404 3.035 10 0 DGAERO CC1(C)C[C@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000232883788 1202602167 /nfs/dbraw/zinc/60/21/67/1202602167.db2.gz CZTKZHKVNATUGM-NSHDSACASA-N 1 0 315.198 3.427 10 0 DGAERO COCCOCCCC[NH2+]Cc1sccc1Br ZINC000158146207 1202603425 /nfs/dbraw/zinc/60/34/25/1202603425.db2.gz NUTWERXRBHPJJG-UHFFFAOYSA-N 1 0 322.268 3.043 10 0 DGAERO C[C@@H]([NH2+]CCOC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000160268129 1202618407 /nfs/dbraw/zinc/61/84/07/1202618407.db2.gz FVKPTCLLOUETKK-SECBINFHSA-N 1 0 305.205 3.342 10 0 DGAERO c1sc(-c2ccccn2)nc1CNCCC[NH+]1CCCCC1 ZINC000236587526 1202613580 /nfs/dbraw/zinc/61/35/80/1202613580.db2.gz FXWNCKWXHRBWQJ-UHFFFAOYSA-N 1 0 316.474 3.171 10 0 DGAERO c1[nH]nc2cc(C[NH2+]Cc3ccc(OCC4CC4)nc3)ccc12 ZINC000236725691 1202622287 /nfs/dbraw/zinc/62/22/87/1202622287.db2.gz ZQVJCYSGDYCFJR-UHFFFAOYSA-N 1 0 308.385 3.037 10 0 DGAERO C[C@H](Cc1ccsc1)[N@H+](C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000246189814 1203716347 /nfs/dbraw/zinc/71/63/47/1203716347.db2.gz LKLAEWMMWWRIQJ-ZIAGYGMSSA-N 1 0 320.502 3.400 10 0 DGAERO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000166965295 1203810436 /nfs/dbraw/zinc/81/04/36/1203810436.db2.gz JWDKPVSXPXYOCT-GXSJLCMTSA-N 1 0 301.171 3.037 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000166965191 1203810453 /nfs/dbraw/zinc/81/04/53/1203810453.db2.gz JWDKPVSXPXYOCT-MWLCHTKSSA-N 1 0 301.171 3.037 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000255390123 1203843877 /nfs/dbraw/zinc/84/38/77/1203843877.db2.gz CQTNTLHWQZTTRK-AKMXKPQHSA-N 1 0 316.445 3.041 10 0 DGAERO C[C@@H](Cc1ccsc1)N(C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000176053047 1203923927 /nfs/dbraw/zinc/92/39/27/1203923927.db2.gz ICSNVFXIOZKGJQ-AWEZNQCLSA-N 1 0 323.506 3.195 10 0 DGAERO C[C@H](c1cccc(Br)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261559210 1204020605 /nfs/dbraw/zinc/02/06/05/1204020605.db2.gz DPLSNDVQXPFKMT-MRVWCRGKSA-N 1 0 309.251 3.051 10 0 DGAERO C[C@H](c1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261559209 1204020618 /nfs/dbraw/zinc/02/06/18/1204020618.db2.gz DPLSNDVQXPFKMT-KWCYVHTRSA-N 1 0 309.251 3.051 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000261680046 1204129078 /nfs/dbraw/zinc/12/90/78/1204129078.db2.gz HTSHELBMXTWLKK-NEPJUHHUSA-N 1 0 308.388 3.236 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000262516432 1204323424 /nfs/dbraw/zinc/32/34/24/1204323424.db2.gz NOYLKPVCQDBZRZ-NXEZZACHSA-N 1 0 318.314 3.092 10 0 DGAERO C[C@H](Cc1ccsc1)[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000181410339 1204336491 /nfs/dbraw/zinc/33/64/91/1204336491.db2.gz RFKIHADTESIZOO-GFCCVEGCSA-N 1 0 312.442 3.337 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCc2nccs2)cc1OC ZINC000065276521 1081929175 /nfs/dbraw/zinc/92/91/75/1081929175.db2.gz BUYMEBJMPKETCW-UHFFFAOYSA-N 1 0 304.415 3.049 10 0 DGAERO Cc1cccnc1/C=C\C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588456337 1082333379 /nfs/dbraw/zinc/33/33/79/1082333379.db2.gz NMOMGTZYJYTACI-LPADLIQXSA-N 1 0 322.408 3.221 10 0 DGAERO Cc1cccnc1/C=C\C(=O)OCCC[N@@H+](C)Cc1ccccc1 ZINC000588456673 1082334706 /nfs/dbraw/zinc/33/47/06/1082334706.db2.gz HGCAZJZGNYXEDX-QXMHVHEDSA-N 1 0 324.424 3.469 10 0 DGAERO Ic1cccc(C[NH2+]C[C@H]2C=CCC2)c1 ZINC000711677352 1085513277 /nfs/dbraw/zinc/51/32/77/1085513277.db2.gz APEDRZCLZYLZDO-NSHDSACASA-N 1 0 313.182 3.347 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2Br)[C@H]1C ZINC000712477726 1085731394 /nfs/dbraw/zinc/73/13/94/1085731394.db2.gz XJPSTWQINXXJMS-SCVCMEIPSA-N 1 0 300.244 3.097 10 0 DGAERO CCN1CC[C@@H]1C[NH2+]Cc1ccc(C)c(Br)c1C ZINC000712597215 1085761654 /nfs/dbraw/zinc/76/16/54/1085761654.db2.gz XARJJFWTVIZCHX-CQSZACIVSA-N 1 0 311.267 3.250 10 0 DGAERO CC(C)[C@H]1CCC[N@H+](Cc2cn(C)nc2Br)CC1 ZINC000713879338 1086640385 /nfs/dbraw/zinc/64/03/85/1086640385.db2.gz GUDZBHLMPLUTHF-LBPRGKRZSA-N 1 0 314.271 3.441 10 0 DGAERO CC(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)=C1CCCC1 ZINC000176569331 1087998235 /nfs/dbraw/zinc/99/82/35/1087998235.db2.gz RXICGNZNOSHOAB-SFHVURJKSA-N 1 0 300.446 3.166 10 0 DGAERO Cc1cccc(-c2noc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)n2)c1 ZINC000246821750 1090172516 /nfs/dbraw/zinc/17/25/16/1090172516.db2.gz SFZSOQNCJJBXAA-JKSUJKDBSA-N 1 0 313.401 3.046 10 0 DGAERO Cn1cccc1C[NH2+][C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711638634 1091328619 /nfs/dbraw/zinc/32/86/19/1091328619.db2.gz ICLZWKFMHPYDKN-CRAIPNDOSA-N 1 0 319.449 3.047 10 0 DGAERO Cc1cc(C)c(NC(=O)[C@H](C)N2CCc3ccccc32)c(C)n1 ZINC000179143528 1093769299 /nfs/dbraw/zinc/76/92/99/1093769299.db2.gz CKLFDYCAUGJOCS-HNNXBMFYSA-N 1 0 309.413 3.397 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400446063 1093895652 /nfs/dbraw/zinc/89/56/52/1093895652.db2.gz AUPQARDWEDCWIZ-OLZOCXBDSA-N 1 0 322.453 3.096 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCCCF)C[C@H]2C1 ZINC000400983885 1093930912 /nfs/dbraw/zinc/93/09/12/1093930912.db2.gz UBYNMVWKTHZBOF-SOUVJXGZSA-N 1 0 314.445 3.361 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCCOC2)C12CCCC2 ZINC000401531249 1093953349 /nfs/dbraw/zinc/95/33/49/1093953349.db2.gz QAUHUGFUJKQHFC-GJZGRUSLSA-N 1 0 324.465 3.077 10 0 DGAERO C[C@@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000401661411 1093963617 /nfs/dbraw/zinc/96/36/17/1093963617.db2.gz VDUDAYBHIFDMBW-ICSRJNTNSA-N 1 0 324.472 3.289 10 0 DGAERO Cc1noc(C)c1C[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401709163 1093966717 /nfs/dbraw/zinc/96/67/17/1093966717.db2.gz UOKMRFZXUGNUIK-FZMZJTMJSA-N 1 0 323.437 3.027 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401732785 1093968287 /nfs/dbraw/zinc/96/82/87/1093968287.db2.gz VXXPGVPIKAIQDT-DZGCQCFKSA-N 1 0 320.433 3.127 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401748487 1093970059 /nfs/dbraw/zinc/97/00/59/1093970059.db2.gz LVLYQMAFIOYUAX-DGCLKSJQSA-N 1 0 318.408 3.267 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403470885 1094129179 /nfs/dbraw/zinc/12/91/79/1094129179.db2.gz OPNNLMHKCRNEFG-HRCADAONSA-N 1 0 308.466 3.412 10 0 DGAERO c1coc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)N2CCCC2)c1 ZINC000403488848 1094131818 /nfs/dbraw/zinc/13/18/18/1094131818.db2.gz ACXXXFCTBNDXGY-WTXIUTQJSA-N 1 0 306.475 3.433 10 0 DGAERO CN(Cc1ccccc1C[NH2+]C1CSC1)C(=O)OC(C)(C)C ZINC000404514908 1094260894 /nfs/dbraw/zinc/26/08/94/1094260894.db2.gz IEWIOIAYDLVJJV-UHFFFAOYSA-N 1 0 322.474 3.259 10 0 DGAERO C[C@H]1CSC[C@@H]1[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404667430 1094264428 /nfs/dbraw/zinc/26/44/28/1094264428.db2.gz AYLYXSXPFWLUHD-STQMWFEESA-N 1 0 314.495 3.023 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+]C[C@H]2CCSC2)CC1 ZINC000404680331 1094265757 /nfs/dbraw/zinc/26/57/57/1094265757.db2.gz KBJADSFNOUHPOV-CYBMUJFWSA-N 1 0 314.495 3.024 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cccnc2)C12CCC2 ZINC000404764810 1094268318 /nfs/dbraw/zinc/26/83/18/1094268318.db2.gz VEWSMPPOUVZPJX-HUUCEWRRSA-N 1 0 317.433 3.007 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)C12CCC2 ZINC000405207934 1094308433 /nfs/dbraw/zinc/30/84/33/1094308433.db2.gz GXYNWZOCCDLAKP-WDEREUQCSA-N 1 0 322.371 3.364 10 0 DGAERO Cc1occc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000321066096 1096029254 /nfs/dbraw/zinc/02/92/54/1096029254.db2.gz MXIUTSCCUNWYIL-DZGCQCFKSA-N 1 0 308.422 3.371 10 0 DGAERO O[C@H]1CCC[C@@H]1[NH2+]C1CC(c2ccccc2Br)C1 ZINC000323655243 1097175697 /nfs/dbraw/zinc/17/56/97/1097175697.db2.gz JWTAJXUTTLSHPG-HBGGEXNNSA-N 1 0 310.235 3.198 10 0 DGAERO CCC[C@H](C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)OC ZINC000721846324 1098064728 /nfs/dbraw/zinc/06/47/28/1098064728.db2.gz INCFFABLNCHMKR-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1nc2cc(NC(=O)[C@H]([NH3+])CC3CCCCC3)ccc2o1 ZINC000262552914 1099064673 /nfs/dbraw/zinc/06/46/73/1099064673.db2.gz STPKVSPCXRPIQT-CQSZACIVSA-N 1 0 301.390 3.372 10 0 DGAERO c1cc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc2c1OCC2 ZINC000077328944 1100241559 /nfs/dbraw/zinc/24/15/59/1100241559.db2.gz HMDBRKYXGBPNKR-UHFFFAOYSA-N 1 0 323.440 3.297 10 0 DGAERO C[C@H]1C[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC(C)(C)C1 ZINC000722503227 1100296551 /nfs/dbraw/zinc/29/65/51/1100296551.db2.gz VFMPTDXHHRCZCR-MELADBBJSA-N 1 0 312.454 3.342 10 0 DGAERO CC(C)Oc1ccc(C[NH2+]CCCN(C)CC(F)(F)F)cc1 ZINC000097465581 1103362714 /nfs/dbraw/zinc/36/27/14/1103362714.db2.gz OVWJVWRVXMWAGS-UHFFFAOYSA-N 1 0 318.383 3.448 10 0 DGAERO OCC1(C[NH2+]C2CC(c3ccccc3Br)C2)CCC1 ZINC000717649995 1104370775 /nfs/dbraw/zinc/37/07/75/1104370775.db2.gz RAKNWSXBCZVARB-UHFFFAOYSA-N 1 0 324.262 3.447 10 0 DGAERO C[C@H]1[C@@H]([NH2+]Cc2cccc(Br)c2Cl)CCN1C ZINC000719599990 1104957273 /nfs/dbraw/zinc/95/72/73/1104957273.db2.gz KAYRWDKAOBJENA-CABZTGNLSA-N 1 0 317.658 3.285 10 0 DGAERO C[C@H]1[C@H]([NH2+]Cc2cccc(Br)c2Cl)CCN1C ZINC000719599998 1104957373 /nfs/dbraw/zinc/95/73/73/1104957373.db2.gz KAYRWDKAOBJENA-JOYOIKCWSA-N 1 0 317.658 3.285 10 0 DGAERO CCCCNC(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719880954 1105029115 /nfs/dbraw/zinc/02/91/15/1105029115.db2.gz XFGPKDNUTXRIQP-GOSISDBHSA-N 1 0 317.477 3.483 10 0 DGAERO Cc1cn(C)nc1C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000723937831 1106466344 /nfs/dbraw/zinc/46/63/44/1106466344.db2.gz GVAMKVARPNECLV-ROUUACIJSA-N 1 0 313.445 3.202 10 0 DGAERO CC[C@H]([NH2+]Cc1sncc1Br)[C@H]1CCCOC1 ZINC000723959156 1106492769 /nfs/dbraw/zinc/49/27/69/1106492769.db2.gz OJHGAKHEVMGIOC-ONGXEEELSA-N 1 0 319.268 3.200 10 0 DGAERO CCC1(C)CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724111678 1106627929 /nfs/dbraw/zinc/62/79/29/1106627929.db2.gz VZTDIVUTUMMEQN-NSHDSACASA-N 1 0 303.315 3.447 10 0 DGAERO CCCn1cncc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000381056316 1108089549 /nfs/dbraw/zinc/08/95/49/1108089549.db2.gz IROUAHUNCMVBEY-QFBILLFUSA-N 1 0 312.461 3.046 10 0 DGAERO C[C@@H](CNc1cc(C(C)(C)C)ncn1)[N@H+](C)Cc1ccccc1 ZINC000390697293 1108676832 /nfs/dbraw/zinc/67/68/32/1108676832.db2.gz HFPCLEMCILVXIZ-HNNXBMFYSA-N 1 0 312.461 3.128 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000701918628 1109001735 /nfs/dbraw/zinc/00/17/35/1109001735.db2.gz HLEFYAMEUFECFK-BSXFFOKHSA-N 1 0 308.466 3.412 10 0 DGAERO CSC[C@@](C)(O)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312602188 546452723 /nfs/dbraw/zinc/45/27/23/546452723.db2.gz NDHGMRYRNMCMBR-JTQLQIEISA-N 1 0 300.276 3.259 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000305898359 231081991 /nfs/dbraw/zinc/08/19/91/231081991.db2.gz UYNQTTSPQQZOSL-UFBFGSQYSA-N 1 0 320.177 3.242 10 0 DGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306349 185164357 /nfs/dbraw/zinc/16/43/57/185164357.db2.gz GKSSLNNKXSQZRR-IHRRRGAJSA-N 1 0 322.449 3.048 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000082319025 185175621 /nfs/dbraw/zinc/17/56/21/185175621.db2.gz SEAQTUJDNFHLCL-INIZCTEOSA-N 1 0 304.434 3.376 10 0 DGAERO Cc1cc(C)c([C@H](O)C2CC[NH2+]CC2)c(C)c1Br ZINC000083161603 185215068 /nfs/dbraw/zinc/21/50/68/185215068.db2.gz NGCNXOLBPCDSMU-OAHLLOKOSA-N 1 0 312.251 3.407 10 0 DGAERO CCOc1ccc(C(=O)[C@H]2CCC[NH2+]C2)cc1Br ZINC000083162919 185215212 /nfs/dbraw/zinc/21/52/12/185215212.db2.gz WXGMZNPSFCGRLB-NSHDSACASA-N 1 0 312.207 3.030 10 0 DGAERO CCc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)nc(C)n1 ZINC000302112818 529533733 /nfs/dbraw/zinc/53/37/33/529533733.db2.gz UZNZYSGYELOPRV-SFHVURJKSA-N 1 0 310.445 3.106 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)no1 ZINC000103150247 432005048 /nfs/dbraw/zinc/00/50/48/432005048.db2.gz OFZRPFORGLHXNY-CYBMUJFWSA-N 1 0 305.809 3.486 10 0 DGAERO NC(=O)CC[C@@H]1CCC[N@H+](Cc2nc3cccnc3s2)C1 ZINC000328899153 231380092 /nfs/dbraw/zinc/38/00/92/231380092.db2.gz XDYGYCYVIHQYNJ-NSHDSACASA-N 1 0 304.419 3.219 10 0 DGAERO CC[NH+](CC)CC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000081992598 192352022 /nfs/dbraw/zinc/35/20/22/192352022.db2.gz DYUXNCUVSMXLSJ-OAHLLOKOSA-N 1 0 311.429 3.268 10 0 DGAERO COCCC1(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000090536510 185301484 /nfs/dbraw/zinc/30/14/84/185301484.db2.gz PUWXNRMOGNTGHN-ZDUSSCGKSA-N 1 0 320.433 3.121 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000090666717 185308595 /nfs/dbraw/zinc/30/85/95/185308595.db2.gz WFDCOPJFKWVNPI-SNVBAGLBSA-N 1 0 313.323 3.298 10 0 DGAERO CC(C)[C@@H](CO)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000092393913 185315506 /nfs/dbraw/zinc/31/55/06/185315506.db2.gz INGCFMSEJIIDGJ-SWLSCSKDSA-N 1 0 301.377 3.216 10 0 DGAERO CN(C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(F)cc1 ZINC000245882955 282249577 /nfs/dbraw/zinc/24/95/77/282249577.db2.gz LCVVKNHUOXUCJM-BRSBDYLESA-N 1 0 320.452 3.222 10 0 DGAERO COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788434 185341489 /nfs/dbraw/zinc/34/14/89/185341489.db2.gz RVEMKINWNRQGRK-CQSZACIVSA-N 1 0 316.426 3.309 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3cnc4ccc(C)cn34)CC2)cn1 ZINC000092809418 185343023 /nfs/dbraw/zinc/34/30/23/185343023.db2.gz KOPOFEZNKONPTJ-UHFFFAOYSA-N 1 0 323.444 3.239 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+]CCCc2ccccn2)c1 ZINC000181494431 199306532 /nfs/dbraw/zinc/30/65/32/199306532.db2.gz UACJEUWGEPCZRQ-AWEZNQCLSA-N 1 0 300.402 3.382 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccccc1Br ZINC000181573047 199319791 /nfs/dbraw/zinc/31/97/91/199319791.db2.gz ONAFDBGAMCWPMJ-GHMZBOCLSA-N 1 0 312.207 3.053 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccccc1Br ZINC000181573066 199319797 /nfs/dbraw/zinc/31/97/97/199319797.db2.gz ONAFDBGAMCWPMJ-QWRGUYRKSA-N 1 0 312.207 3.053 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000129663404 432007923 /nfs/dbraw/zinc/00/79/23/432007923.db2.gz JPQCCWZGTXFNGW-UHFFFAOYSA-N 1 0 300.855 3.252 10 0 DGAERO CN1C[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)CCC1=O ZINC000180238709 529829784 /nfs/dbraw/zinc/82/97/84/529829784.db2.gz RJGUQQADAFMBNT-GOSISDBHSA-N 1 0 308.425 3.029 10 0 DGAERO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1nnc(C2CC2)n1C ZINC000181662243 199334751 /nfs/dbraw/zinc/33/47/51/199334751.db2.gz VKONUAGCWFLNDF-INIZCTEOSA-N 1 0 316.424 3.189 10 0 DGAERO C[N@H+](C[C@H](O)CC1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309804488 529959622 /nfs/dbraw/zinc/95/96/22/529959622.db2.gz TWNLMWPFONBCII-WOJBJXKFSA-N 1 0 316.489 3.134 10 0 DGAERO C[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)s2)CC1 ZINC000302172892 530053939 /nfs/dbraw/zinc/05/39/39/530053939.db2.gz VNLVFRALNNEGIC-UHFFFAOYSA-N 1 0 308.838 3.000 10 0 DGAERO Cc1nc(CN2CCC[C@@H]2C[NH+]2CCCCC2)nc2ccccc12 ZINC000107897100 185495162 /nfs/dbraw/zinc/49/51/62/185495162.db2.gz VVYWILODBMPBSN-QGZVFWFLSA-N 1 0 324.472 3.389 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227839231 201807584 /nfs/dbraw/zinc/80/75/84/201807584.db2.gz BZFADRPWWJXHEH-GMSGAONNSA-N 1 0 324.671 3.415 10 0 DGAERO CC(C)[NH+](CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000109079044 185549620 /nfs/dbraw/zinc/54/96/20/185549620.db2.gz VGVMGCIKPPTIDM-CABCVRRESA-N 1 0 324.415 3.303 10 0 DGAERO CC(C)CC[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)C(C)(C)C ZINC000130023951 432012773 /nfs/dbraw/zinc/01/27/73/432012773.db2.gz OFVQGJURZHGPIH-HOTGVXAUSA-N 1 0 311.514 3.430 10 0 DGAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ccc(Br)cc2)no1 ZINC000104068658 432013752 /nfs/dbraw/zinc/01/37/52/432013752.db2.gz PFNQQPYQOYTUGE-NSHDSACASA-N 1 0 310.195 3.025 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000235151609 201912892 /nfs/dbraw/zinc/91/28/92/201912892.db2.gz VPVRKEOHLBTINZ-QWRGUYRKSA-N 1 0 308.223 3.454 10 0 DGAERO CCC[N@H+](Cc1cncnc1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000130118146 432015148 /nfs/dbraw/zinc/01/51/48/432015148.db2.gz SHULOYGNHDTDTJ-IRXDYDNUSA-N 1 0 303.450 3.426 10 0 DGAERO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000105185753 432017670 /nfs/dbraw/zinc/01/76/70/432017670.db2.gz GOCJVUOCDKMIML-HOCLYGCPSA-N 1 0 321.852 3.063 10 0 DGAERO CC[C@H](c1ccccc1)[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000106071914 432020489 /nfs/dbraw/zinc/02/04/89/432020489.db2.gz UTBLWOJWGIEKSB-GOSISDBHSA-N 1 0 310.445 3.448 10 0 DGAERO C[C@@H]1CCCN(Cc2ccc(Br)cc2F)[C@@H]1C[NH3+] ZINC000070175591 190867765 /nfs/dbraw/zinc/86/77/65/190867765.db2.gz ASAMKTSKYKATQH-QMTHXVAHSA-N 1 0 315.230 3.147 10 0 DGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000037321052 545673128 /nfs/dbraw/zinc/67/31/28/545673128.db2.gz YVEYZNMICBARQI-NEPJUHHUSA-N 1 0 305.752 3.335 10 0 DGAERO C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170834658 197834259 /nfs/dbraw/zinc/83/42/59/197834259.db2.gz LFPRZUKUXAYBFX-NVXWUHKLSA-N 1 0 317.477 3.088 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(Cl)c(C)c1 ZINC000182022891 199375754 /nfs/dbraw/zinc/37/57/54/199375754.db2.gz RDCRTJLJMLVFTR-ZIAGYGMSSA-N 1 0 322.840 3.134 10 0 DGAERO Clc1ccc(C[NH2+][C@H]2CCCOC2)c(Br)c1 ZINC000149780887 186053035 /nfs/dbraw/zinc/05/30/35/186053035.db2.gz OYMQMUNNANDAGH-NSHDSACASA-N 1 0 304.615 3.371 10 0 DGAERO CC(C)Sc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152441852 186073389 /nfs/dbraw/zinc/07/33/89/186073389.db2.gz KAKKOLZLALXKFH-DZGCQCFKSA-N 1 0 306.475 3.459 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000173302187 186174488 /nfs/dbraw/zinc/17/44/88/186174488.db2.gz SFGATZNMTWRMJE-CZUORRHYSA-N 1 0 323.868 3.007 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(C2CC2)cs1 ZINC000173334347 186177747 /nfs/dbraw/zinc/17/77/47/186177747.db2.gz VDLNNXVLFGQBRM-CHWSQXEVSA-N 1 0 320.462 3.111 10 0 DGAERO CCC[C@H]([NH2+]CCCNC(=O)c1cccs1)c1cccnc1 ZINC000186031368 186233170 /nfs/dbraw/zinc/23/31/70/186233170.db2.gz BNJIVDWXJSEYST-HNNXBMFYSA-N 1 0 317.458 3.394 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000188051297 186249785 /nfs/dbraw/zinc/24/97/85/186249785.db2.gz PBUSPMUYDIDTLR-KGLIPLIRSA-N 1 0 322.399 3.011 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C(C)C ZINC000067041099 432026114 /nfs/dbraw/zinc/02/61/14/432026114.db2.gz XQSQRZRZYWBESD-HNNXBMFYSA-N 1 0 305.466 3.324 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000130498562 432026832 /nfs/dbraw/zinc/02/68/32/432026832.db2.gz TWSRAAXHWONTEH-FZMZJTMJSA-N 1 0 306.793 3.128 10 0 DGAERO C[C@H]([NH2+]CCCCC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000130499034 432026859 /nfs/dbraw/zinc/02/68/59/432026859.db2.gz PXWYNIRZSUMEIF-NSHDSACASA-N 1 0 323.380 3.473 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccccc1F)CC2 ZINC000171981220 198020321 /nfs/dbraw/zinc/02/03/21/198020321.db2.gz HDOGXIGXXTVUKC-CHWSQXEVSA-N 1 0 302.397 3.206 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)NCc1ccc(F)cc1 ZINC000172603800 198122548 /nfs/dbraw/zinc/12/25/48/198122548.db2.gz YTHVLCVCLOWLLO-RYUDHWBXSA-N 1 0 306.406 3.243 10 0 DGAERO CCOC[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3n2CC)C1 ZINC000072976425 191259986 /nfs/dbraw/zinc/25/99/86/191259986.db2.gz YPBIOFXUGWSOBA-AWEZNQCLSA-N 1 0 319.424 3.444 10 0 DGAERO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1Cl ZINC000173385986 198209120 /nfs/dbraw/zinc/20/91/20/198209120.db2.gz RQWZPIYTEKCHMW-UONOGXRCSA-N 1 0 319.836 3.057 10 0 DGAERO CC(C)c1nc(C2(NC[C@H](O)c3ccccc3)CCCC2)no1 ZINC000173702225 198242775 /nfs/dbraw/zinc/24/27/75/198242775.db2.gz QXXWSGZNQWYWJX-HNNXBMFYSA-N 1 0 315.417 3.286 10 0 DGAERO C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2nnc(C3CC3)n2C)C1 ZINC000173923250 198269105 /nfs/dbraw/zinc/26/91/05/198269105.db2.gz DQYHCTKWMZINFV-MLGOLLRUSA-N 1 0 314.408 3.415 10 0 DGAERO COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCc4ncnn4C3)ccc2c1 ZINC000174084787 198288726 /nfs/dbraw/zinc/28/87/26/198288726.db2.gz VPDDBABNILXFDW-CXAGYDPISA-N 1 0 322.412 3.106 10 0 DGAERO CCc1ccc(CCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174184800 198302281 /nfs/dbraw/zinc/30/22/81/198302281.db2.gz XBRCGHPRMXRZLH-YQQQUEKLSA-N 1 0 314.473 3.313 10 0 DGAERO CSc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000174223029 198307970 /nfs/dbraw/zinc/30/79/70/198307970.db2.gz DCNKHVZIYLSQES-GXTWGEPZSA-N 1 0 307.463 3.355 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000174393832 198329842 /nfs/dbraw/zinc/32/98/42/198329842.db2.gz YEHVDHIJIJQYKH-CMPLNLGQSA-N 1 0 313.804 3.426 10 0 DGAERO O=C(Cc1ccccc1Cl)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107527032 432033364 /nfs/dbraw/zinc/03/33/64/432033364.db2.gz LJWRESIOAGNSFF-MRXNPFEDSA-N 1 0 320.864 3.359 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000174522543 198346981 /nfs/dbraw/zinc/34/69/81/198346981.db2.gz IIZLQVBKHPNOKD-CXAGYDPISA-N 1 0 301.434 3.122 10 0 DGAERO Fc1ccc2c(c1)[C@@H]([NH+]1CCC(Nc3cccnn3)CC1)CC2 ZINC000177708789 283001045 /nfs/dbraw/zinc/00/10/45/283001045.db2.gz HHUZLKYYJGNHMB-KRWDZBQOSA-N 1 0 312.392 3.180 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC000107693339 432038210 /nfs/dbraw/zinc/03/82/10/432038210.db2.gz PUAPEEBQUMRHJW-OAHLLOKOSA-N 1 0 304.434 3.107 10 0 DGAERO Fc1cccc(CC[N@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)c1 ZINC000073804992 283013330 /nfs/dbraw/zinc/01/33/30/283013330.db2.gz ZVWHMHAVEZQFTO-HDICACEKSA-N 1 0 307.409 3.028 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000163667157 432039117 /nfs/dbraw/zinc/03/91/17/432039117.db2.gz YXPMTKRWJNCXOJ-GXTWGEPZSA-N 1 0 320.481 3.044 10 0 DGAERO CCN(C)C(=O)c1ccc(Oc2ccccc2C[NH+](C)C)nc1 ZINC000067833972 432042222 /nfs/dbraw/zinc/04/22/22/432042222.db2.gz WICJYFROLDEWCU-UHFFFAOYSA-N 1 0 313.401 3.027 10 0 DGAERO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000107824322 432042970 /nfs/dbraw/zinc/04/29/70/432042970.db2.gz IINNYDUKLKLXPR-SJLPKXTDSA-N 1 0 315.461 3.408 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cnc2ccc(F)cc2c1 ZINC000179122186 432043392 /nfs/dbraw/zinc/04/33/92/432043392.db2.gz AXWJXCCNCAIQDM-INIZCTEOSA-N 1 0 317.408 3.080 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000132192366 432045504 /nfs/dbraw/zinc/04/55/04/432045504.db2.gz UZRJAIUGQCGYGF-BBRMVZONSA-N 1 0 323.868 3.210 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000073562610 191327868 /nfs/dbraw/zinc/32/78/68/191327868.db2.gz MZPLXJWHXWQNLI-ROUUACIJSA-N 1 0 300.446 3.027 10 0 DGAERO CCc1nc(-c2ccc(F)cc2)nc(N2CCC([NH3+])CC2)c1C ZINC000073663238 191338656 /nfs/dbraw/zinc/33/86/56/191338656.db2.gz VXRGZGONYHBNCD-UHFFFAOYSA-N 1 0 314.408 3.081 10 0 DGAERO Clc1nc2c3ccccc3oc2c(NC[C@H]2CCC[NH2+]C2)n1 ZINC000073736297 191349614 /nfs/dbraw/zinc/34/96/14/191349614.db2.gz FYXJUHXRDHZFNK-JTQLQIEISA-N 1 0 316.792 3.441 10 0 DGAERO Clc1nc2c3ccccc3oc2c(NC2CC[NH2+]CC2)n1 ZINC000073736269 191349854 /nfs/dbraw/zinc/34/98/54/191349854.db2.gz MNHCANDZQRRPFC-UHFFFAOYSA-N 1 0 302.765 3.193 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(F)c(SC)c1 ZINC000164509598 432048613 /nfs/dbraw/zinc/04/86/13/432048613.db2.gz WBSYVZXWSADAHE-ZDUSSCGKSA-N 1 0 310.438 3.104 10 0 DGAERO C[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000068048194 432049918 /nfs/dbraw/zinc/04/99/18/432049918.db2.gz UKWXFHZRBOASHW-GOSISDBHSA-N 1 0 319.832 3.350 10 0 DGAERO Cc1nc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c(C)s1 ZINC000179255985 432051293 /nfs/dbraw/zinc/05/12/93/432051293.db2.gz BBBWYPPRJOGRIZ-OAHLLOKOSA-N 1 0 317.458 3.101 10 0 DGAERO CC(C)(CCC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000179247517 432051798 /nfs/dbraw/zinc/05/17/98/432051798.db2.gz PDIZICQHTQAKMZ-KRWDZBQOSA-N 1 0 300.446 3.051 10 0 DGAERO COc1ccc2oc(C[NH2+][C@H]3Cc4ccccc4[C@@H]3O)cc2c1 ZINC000179307261 432054071 /nfs/dbraw/zinc/05/40/71/432054071.db2.gz PUNJDWOVIJTNPN-HKUYNNGSSA-N 1 0 309.365 3.189 10 0 DGAERO CCCc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000080715560 192184134 /nfs/dbraw/zinc/18/41/34/192184134.db2.gz GVIXYGWPBQXWPE-AYHJJNSGSA-N 1 0 300.446 3.384 10 0 DGAERO Cc1ccccc1C(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080718687 192185454 /nfs/dbraw/zinc/18/54/54/192185454.db2.gz XQLQBSVTGUHOSO-ALOPSCKCSA-N 1 0 314.473 3.404 10 0 DGAERO CC[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000080717753 192186021 /nfs/dbraw/zinc/18/60/21/192186021.db2.gz JROAROUZHHVTNL-HQSKLWIPSA-N 1 0 300.446 3.312 10 0 DGAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3c(C)ccc(C)c31)CC2 ZINC000179425525 432057277 /nfs/dbraw/zinc/05/72/77/432057277.db2.gz GIFBCEDIMHAXHT-RDJZCZTQSA-N 1 0 310.445 3.185 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3c(C)ccc(C)c31)CC2 ZINC000179424968 432057586 /nfs/dbraw/zinc/05/75/86/432057586.db2.gz XKDNTVJVMRFYDB-WBVHZDCISA-N 1 0 324.472 3.439 10 0 DGAERO COC[C@@](C)(CCO)[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000133268305 432059227 /nfs/dbraw/zinc/05/92/27/432059227.db2.gz LFWNTHZZOGFWAZ-LJQANCHMSA-N 1 0 315.413 3.356 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)C1CCCC1 ZINC000184663779 199748160 /nfs/dbraw/zinc/74/81/60/199748160.db2.gz IBLAMYVCZQIYQM-UKRRQHHQSA-N 1 0 302.418 3.076 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccccn1 ZINC000179466384 432059357 /nfs/dbraw/zinc/05/93/57/432059357.db2.gz WKVXSPTYHHPSSF-MRXNPFEDSA-N 1 0 319.408 3.142 10 0 DGAERO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236927190 202075564 /nfs/dbraw/zinc/07/55/64/202075564.db2.gz QKWDZLLRTLVHKP-RYUDHWBXSA-N 1 0 315.244 3.469 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)s1 ZINC000166453189 432060671 /nfs/dbraw/zinc/06/06/71/432060671.db2.gz HAHOPADSGVHTFK-KBPBESRZSA-N 1 0 304.463 3.110 10 0 DGAERO CC[C@@H]1CCc2nc(NC(=O)c3ccc(C[NH3+])cc3)sc2C1 ZINC000236972174 202101107 /nfs/dbraw/zinc/10/11/07/202101107.db2.gz DNXZWTINVWQBDO-LLVKDONJSA-N 1 0 315.442 3.369 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)c(F)cc1Cl ZINC000133352717 432060741 /nfs/dbraw/zinc/06/07/41/432060741.db2.gz LSRMFDIRZMFBKL-LBPRGKRZSA-N 1 0 312.816 3.344 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CCc1c(C)noc1Cl ZINC000237038988 202132301 /nfs/dbraw/zinc/13/23/01/202132301.db2.gz QSGXNIJJYSSTQO-UHFFFAOYSA-N 1 0 321.808 3.317 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)cc(F)c1 ZINC000166568025 432061644 /nfs/dbraw/zinc/06/16/44/432061644.db2.gz XJFDGNVYKJJRGV-MLGOLLRUSA-N 1 0 320.387 3.018 10 0 DGAERO CCCOc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC ZINC000179548309 432061797 /nfs/dbraw/zinc/06/17/97/432061797.db2.gz BJLIPYRJCKEGMB-QGZVFWFLSA-N 1 0 318.461 3.154 10 0 DGAERO FC(F)Oc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000179550817 432061854 /nfs/dbraw/zinc/06/18/54/432061854.db2.gz HGJRPBMLAMJGGF-GFCCVEGCSA-N 1 0 316.779 3.221 10 0 DGAERO CCc1ccc(CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000237137985 202164760 /nfs/dbraw/zinc/16/47/60/202164760.db2.gz AFDUVSMMZJWTFR-IRXDYDNUSA-N 1 0 300.446 3.258 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c(C)c1 ZINC000166590000 432062064 /nfs/dbraw/zinc/06/20/64/432062064.db2.gz OCGOOIXDSVIVSV-SJORKVTESA-N 1 0 312.461 3.357 10 0 DGAERO Cc1c([C@@H](C)[NH2+][C@H]2CCCOC2)nnn1-c1ccc(Cl)cc1 ZINC000177931382 198790380 /nfs/dbraw/zinc/79/03/80/198790380.db2.gz HDNJEKJTIPFYIX-RISCZKNCSA-N 1 0 320.824 3.059 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c(C)c1 ZINC000166589753 432062028 /nfs/dbraw/zinc/06/20/28/432062028.db2.gz OCGOOIXDSVIVSV-IAGOWNOFSA-N 1 0 312.461 3.357 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237190528 202183703 /nfs/dbraw/zinc/18/37/03/202183703.db2.gz BCLCXKHCTGQQOV-KZWSWKJNSA-N 1 0 302.418 3.253 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000133403630 432063217 /nfs/dbraw/zinc/06/32/17/432063217.db2.gz WKRQRFKSBRFCJF-ZFWWWQNUSA-N 1 0 311.429 3.093 10 0 DGAERO CN(C(=O)CSc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237210672 202190663 /nfs/dbraw/zinc/19/06/63/202190663.db2.gz DTZWGXZCQYTNRU-PBWFPOADSA-N 1 0 324.877 3.174 10 0 DGAERO COCCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000179623532 432064543 /nfs/dbraw/zinc/06/45/43/432064543.db2.gz VDJJSIRYYLIJQP-AWEZNQCLSA-N 1 0 317.351 3.486 10 0 DGAERO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC[C@H]1c1nccs1 ZINC000167104523 432064130 /nfs/dbraw/zinc/06/41/30/432064130.db2.gz OWSBGCIJYISNBH-DKUMPPAJSA-N 1 0 319.474 3.117 10 0 DGAERO CCC[C@H](C)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000179675167 432067785 /nfs/dbraw/zinc/06/77/85/432067785.db2.gz XGBZKSDZWTZRKX-HNNXBMFYSA-N 1 0 306.425 3.410 10 0 DGAERO CN1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CCC1=O ZINC000091344108 283246293 /nfs/dbraw/zinc/24/62/93/283246293.db2.gz JLJJCWLIYFGXFK-AEFFLSMTSA-N 1 0 304.409 3.267 10 0 DGAERO C[NH2+][C@H]1CCCN(C(=O)[C@@H](Sc2ccccc2)C(C)C)C1 ZINC000133595290 432067938 /nfs/dbraw/zinc/06/79/38/432067938.db2.gz WCJWLIVXTZHVMX-HOCLYGCPSA-N 1 0 306.475 3.014 10 0 DGAERO COc1ccc2oc(CN3CCC[N@@H+](C4CC4)CC3)cc2c1 ZINC000179733905 432069703 /nfs/dbraw/zinc/06/97/03/432069703.db2.gz HJOQHVXJHZXYQB-UHFFFAOYSA-N 1 0 300.402 3.112 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cnc(-c3ccccc3)[nH]1)CC2 ZINC000179839754 432071713 /nfs/dbraw/zinc/07/17/13/432071713.db2.gz YWPVYZDGLOYENC-VQIMIIECSA-N 1 0 311.429 3.204 10 0 DGAERO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179466580 199040116 /nfs/dbraw/zinc/04/01/16/199040116.db2.gz KXKGYTTUUULLTJ-CQSZACIVSA-N 1 0 310.401 3.424 10 0 DGAERO O[C@@H](CN1CC[NH+](CC2CCCCCC2)CC1)c1ccccc1 ZINC000179503074 199046250 /nfs/dbraw/zinc/04/62/50/199046250.db2.gz NSMGBFDDMMYOAP-FQEVSTJZSA-N 1 0 316.489 3.308 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000134124879 432074091 /nfs/dbraw/zinc/07/40/91/432074091.db2.gz HYBMRONGKBGFPJ-KRWDZBQOSA-N 1 0 304.409 3.050 10 0 DGAERO C[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(Cl)cc1 ZINC000179923932 432074571 /nfs/dbraw/zinc/07/45/71/432074571.db2.gz CYOPRFOWIOYWBQ-RHSMWYFYSA-N 1 0 320.864 3.215 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)CCc2cccs2)[C@@H]1c1ccccc1 ZINC000180139712 199122126 /nfs/dbraw/zinc/12/21/26/199122126.db2.gz PXYNTXWQRPVWJQ-AEFFLSMTSA-N 1 0 314.454 3.242 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1F ZINC000180156626 199123779 /nfs/dbraw/zinc/12/37/79/199123779.db2.gz CTEFTKPYYNBXHJ-PBHICJAKSA-N 1 0 314.408 3.325 10 0 DGAERO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000180156356 199123875 /nfs/dbraw/zinc/12/38/75/199123875.db2.gz OXBNBOQULUSZLN-WBVHZDCISA-N 1 0 306.837 3.392 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Cl)sc1Cl ZINC000180488891 199165754 /nfs/dbraw/zinc/16/57/54/199165754.db2.gz PYRCDSMXZFMESB-DTWKUNHWSA-N 1 0 309.262 3.036 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Cl)sc1Cl ZINC000180488923 199165913 /nfs/dbraw/zinc/16/59/13/199165913.db2.gz PYRCDSMXZFMESB-IUCAKERBSA-N 1 0 309.262 3.036 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180501189 199168244 /nfs/dbraw/zinc/16/82/44/199168244.db2.gz VNZXVIJRLXMZNT-ZIAGYGMSSA-N 1 0 314.433 3.076 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)CC2 ZINC000180504740 199168448 /nfs/dbraw/zinc/16/84/48/199168448.db2.gz SITKIPPUYRPWGI-NEPJUHHUSA-N 1 0 320.387 3.345 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180510780 199169466 /nfs/dbraw/zinc/16/94/66/199169466.db2.gz PTSGLBSVCWZCBI-STQMWFEESA-N 1 0 304.463 3.437 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(-c2ccncc2)c1 ZINC000180597568 199182007 /nfs/dbraw/zinc/18/20/07/199182007.db2.gz GPLGQEQABYZEFQ-KDOFPFPSSA-N 1 0 319.412 3.006 10 0 DGAERO COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000180614781 199184947 /nfs/dbraw/zinc/18/49/47/199184947.db2.gz UJSJVXFVDVEVNW-QAPCUYQASA-N 1 0 313.445 3.468 10 0 DGAERO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000170645384 432075873 /nfs/dbraw/zinc/07/58/73/432075873.db2.gz NQQRQINCYOLRGL-OAHLLOKOSA-N 1 0 315.442 3.481 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@H]2CCc3ncnn3C2)c2ccccc2)cc1 ZINC000180852999 199219284 /nfs/dbraw/zinc/21/92/84/199219284.db2.gz TUMKUEJIFJYXKC-ICSRJNTNSA-N 1 0 318.424 3.281 10 0 DGAERO C[C@H](NC(=O)CCCCN1CCOCC1)c1cccc(Cl)c1 ZINC000170681895 432076952 /nfs/dbraw/zinc/07/69/52/432076952.db2.gz FOLWYQBXQQEHAK-AWEZNQCLSA-N 1 0 324.852 3.020 10 0 DGAERO COc1ccc(-c2cnc(C[N@H+](C)[C@@H](CO)C(C)(C)C)o2)cc1 ZINC000134415314 432077690 /nfs/dbraw/zinc/07/76/90/432077690.db2.gz XQGYGNNHRVKZNY-INIZCTEOSA-N 1 0 318.417 3.189 10 0 DGAERO C[C@@H](CCCc1ccccc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000180106389 432078502 /nfs/dbraw/zinc/07/85/02/432078502.db2.gz NVVNDLNFRUPYDZ-KRWDZBQOSA-N 1 0 314.473 3.342 10 0 DGAERO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)ccc1O ZINC000180091976 432078643 /nfs/dbraw/zinc/07/86/43/432078643.db2.gz LNSRUVKNWOBDFC-MRXNPFEDSA-N 1 0 300.402 3.467 10 0 DGAERO c1cn(-c2csc(CN3CC[NH2+]C[C@H]3c3ccccc3)c2)cn1 ZINC000415133343 237104594 /nfs/dbraw/zinc/10/45/94/237104594.db2.gz VBWLJQPRQIOVOK-SFHVURJKSA-N 1 0 324.453 3.080 10 0 DGAERO CC[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000170829199 432083577 /nfs/dbraw/zinc/08/35/77/432083577.db2.gz RZAZMCBLNLKNKK-LSDHHAIUSA-N 1 0 309.841 3.137 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000170836420 432083960 /nfs/dbraw/zinc/08/39/60/432083960.db2.gz CGXZHLGYBSSSJD-CQSZACIVSA-N 1 0 305.809 3.486 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000186964845 200040239 /nfs/dbraw/zinc/04/02/39/200040239.db2.gz MTLLSGUVJXNMPC-UHFFFAOYSA-N 1 0 324.472 3.400 10 0 DGAERO CC1CC[NH+](CCCCNC(=O)c2scnc2C2CC2)CC1 ZINC000089750054 192857464 /nfs/dbraw/zinc/85/74/64/192857464.db2.gz OWQTWPILGFJGRI-UHFFFAOYSA-N 1 0 321.490 3.262 10 0 DGAERO Cc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Cl ZINC000187055235 200054294 /nfs/dbraw/zinc/05/42/94/200054294.db2.gz GFOWBAOFYKOVEY-HIFRSBDPSA-N 1 0 323.868 3.273 10 0 DGAERO CN1c2ccc(C[NH2+][C@@H]3CCOc4ccccc43)cc2CCC1=O ZINC000187098018 200060809 /nfs/dbraw/zinc/06/08/09/200060809.db2.gz HCCHDHIPXLMTDT-QGZVFWFLSA-N 1 0 322.408 3.209 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc2ccccc2c1 ZINC000170862865 432084677 /nfs/dbraw/zinc/08/46/77/432084677.db2.gz SENWUFQFLNKGLP-KSSFIOAISA-N 1 0 311.429 3.246 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+]C[C@H](C)Cc1ccccc1)CC2 ZINC000187281097 200088720 /nfs/dbraw/zinc/08/87/20/200088720.db2.gz JJKVNZWKFRBJIW-WBVHZDCISA-N 1 0 312.461 3.185 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000170858540 432084790 /nfs/dbraw/zinc/08/47/90/432084790.db2.gz XBTPLBXJGNOPBP-NSHDSACASA-N 1 0 318.364 3.075 10 0 DGAERO CC(C)n1cc([C@@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)cn1 ZINC000180400277 432085035 /nfs/dbraw/zinc/08/50/35/432085035.db2.gz BLQPMIDUOORKJA-CJNGLKHVSA-N 1 0 312.417 3.241 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(Cl)c2)[C@H](C)C1 ZINC000187952649 200182030 /nfs/dbraw/zinc/18/20/30/200182030.db2.gz FHKXXAFIVCPZHS-ZYHUDNBSSA-N 1 0 300.855 3.204 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000187875690 200170336 /nfs/dbraw/zinc/17/03/36/200170336.db2.gz MSRDMVGNXREVPY-LLVKDONJSA-N 1 0 306.207 3.398 10 0 DGAERO CCOc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188084483 200191295 /nfs/dbraw/zinc/19/12/95/200191295.db2.gz HHSCNQKMUBHREL-WMZOPIPTSA-N 1 0 317.454 3.355 10 0 DGAERO CSC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000188232370 200212755 /nfs/dbraw/zinc/21/27/55/200212755.db2.gz JRPWFYARFDCWFL-CXAGYDPISA-N 1 0 302.443 3.123 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@@H]1C ZINC000188312227 200225741 /nfs/dbraw/zinc/22/57/41/200225741.db2.gz WVUNTJODEIYZFN-GUYCJALGSA-N 1 0 305.418 3.189 10 0 DGAERO Cc1ccccc1C1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCCCC1 ZINC000237692910 202329572 /nfs/dbraw/zinc/32/95/72/202329572.db2.gz COZAPMLLFNPDJE-SJORKVTESA-N 1 0 314.473 3.441 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000134803372 432086169 /nfs/dbraw/zinc/08/61/69/432086169.db2.gz DBLCHHYIIBAGBZ-STQMWFEESA-N 1 0 310.388 3.011 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC2CCCC2)cc1OC ZINC000188631527 200278324 /nfs/dbraw/zinc/27/83/24/200278324.db2.gz MOSVLFCFBPRKOK-CJNGLKHVSA-N 1 0 307.434 3.296 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCO[C@@H]1C)c1ccsc1 ZINC000188645135 200280645 /nfs/dbraw/zinc/28/06/45/200280645.db2.gz NFEKJBZQJWWZSI-FVQBIDKESA-N 1 0 324.490 3.062 10 0 DGAERO O=C(CCCOc1ccccc1Cl)NCC[C@H]1CCC[NH2+]C1 ZINC000237923963 202391299 /nfs/dbraw/zinc/39/12/99/202391299.db2.gz JWPFCMNBNOSHPI-CQSZACIVSA-N 1 0 324.852 3.005 10 0 DGAERO CCCCOc1ccc(C[N@H+](C)CC2(CO)CC2)cc1OC ZINC000188947893 200326297 /nfs/dbraw/zinc/32/62/97/200326297.db2.gz CDRQNOLOPUWBLW-UHFFFAOYSA-N 1 0 307.434 3.078 10 0 DGAERO CCOCCN1CC[N@@H+]([C@@H](C)CCc2ccccc2)C[C@@H]1CC ZINC000170940841 432087941 /nfs/dbraw/zinc/08/79/41/432087941.db2.gz TYLGNSPLRHUPDU-ICSRJNTNSA-N 1 0 318.505 3.440 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1COc1ccccc1 ZINC000238043123 202426927 /nfs/dbraw/zinc/42/69/27/202426927.db2.gz KPPWUNGVSUQOOE-HNAYVOBHSA-N 1 0 324.424 3.123 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1 ZINC000189038967 200339931 /nfs/dbraw/zinc/33/99/31/200339931.db2.gz BUMOHWDETPKOCX-KSSFIOAISA-N 1 0 312.388 3.277 10 0 DGAERO C[C@H](CCc1ccccc1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000170938470 432088037 /nfs/dbraw/zinc/08/80/37/432088037.db2.gz MMFNFHDKLLBOAK-QGZVFWFLSA-N 1 0 310.445 3.010 10 0 DGAERO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000170940044 432088410 /nfs/dbraw/zinc/08/84/10/432088410.db2.gz DVOXVMZWAJLINH-INIZCTEOSA-N 1 0 316.836 3.231 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cn1 ZINC000180523062 432089230 /nfs/dbraw/zinc/08/92/30/432089230.db2.gz ZZAGKMYWTZVZHT-KGLIPLIRSA-N 1 0 324.469 3.418 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1c3ccccc3C[C@@H]1C)CC2 ZINC000180535197 432089492 /nfs/dbraw/zinc/08/94/92/432089492.db2.gz YOZOBWZBVHOYBO-JCKWVBRZSA-N 1 0 310.445 3.239 10 0 DGAERO Clc1cccc(-c2cnc(CN3CC[N@@H+]4CCC[C@@H]4C3)o2)c1 ZINC000170958831 432089503 /nfs/dbraw/zinc/08/95/03/432089503.db2.gz JCCOBPMRMOGDCN-OAHLLOKOSA-N 1 0 317.820 3.275 10 0 DGAERO C[NH+]1CCC(CCNC(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000170980232 432091852 /nfs/dbraw/zinc/09/18/52/432091852.db2.gz KQPXWLIBVJKASI-SFHVURJKSA-N 1 0 314.473 3.345 10 0 DGAERO O=C(C[C@H]1CCCc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170980690 432091863 /nfs/dbraw/zinc/09/18/63/432091863.db2.gz PQSYLXPPCZHJPY-QZTJIDSGSA-N 1 0 312.457 3.193 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1noc(C2CCCCC2)n1 ZINC000246090944 432092511 /nfs/dbraw/zinc/09/25/11/432092511.db2.gz NRJJGPRFLKUUSP-HOTGVXAUSA-N 1 0 318.465 3.176 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000180612414 432092900 /nfs/dbraw/zinc/09/29/00/432092900.db2.gz POMYAPNIQBKHBG-UKRRQHHQSA-N 1 0 316.836 3.086 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000246091511 432093043 /nfs/dbraw/zinc/09/30/43/432093043.db2.gz VFADXAINHQECRX-NHYWBVRUSA-N 1 0 311.376 3.159 10 0 DGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000170986343 432093065 /nfs/dbraw/zinc/09/30/65/432093065.db2.gz XZVQHTCSBPYHBM-IRXDYDNUSA-N 1 0 318.461 3.245 10 0 DGAERO O=C(NCC[NH+]1CCCC1)c1ccccc1Cc1ccccc1 ZINC000052851485 283599389 /nfs/dbraw/zinc/59/93/89/283599389.db2.gz SFJHCEMGIDATFD-UHFFFAOYSA-N 1 0 308.425 3.103 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc3ccccc3o1)CC2 ZINC000180623219 432093454 /nfs/dbraw/zinc/09/34/54/432093454.db2.gz MHUCGYHSMHSLRO-GXTWGEPZSA-N 1 0 310.401 3.252 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1cc(F)ccc1F)CC2 ZINC000180615934 432093467 /nfs/dbraw/zinc/09/34/67/432093467.db2.gz IPWKRELIUXVLDN-IUODEOHRSA-N 1 0 320.387 3.174 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC(C)(C)c3ccccc31)CC2 ZINC000180616614 432094103 /nfs/dbraw/zinc/09/41/03/432094103.db2.gz YNBBMTABJYDMTC-BBRMVZONSA-N 1 0 310.445 3.168 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1ccnn1C ZINC000192248415 200841403 /nfs/dbraw/zinc/84/14/03/200841403.db2.gz INXROQDVKKTMDI-NEPJUHHUSA-N 1 0 322.250 3.464 10 0 DGAERO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccco2)N2CCOCC2)s1 ZINC000180658890 432094931 /nfs/dbraw/zinc/09/49/31/432094931.db2.gz GYCWKIQKDWWMGX-GJZGRUSLSA-N 1 0 320.458 3.374 10 0 DGAERO C[C@H]([NH3+])CCC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000193217208 201008080 /nfs/dbraw/zinc/00/80/80/201008080.db2.gz OJEYIYGQGKLEHW-ZDUSSCGKSA-N 1 0 308.853 3.395 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193612622 201085806 /nfs/dbraw/zinc/08/58/06/201085806.db2.gz BULDCFMHYXSHCQ-GXFFZTMASA-N 1 0 306.793 3.265 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000246116343 432096548 /nfs/dbraw/zinc/09/65/48/432096548.db2.gz KLDOKEIYUYTYAI-HZPDHXFCSA-N 1 0 320.502 3.249 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000193564074 201075372 /nfs/dbraw/zinc/07/53/72/201075372.db2.gz YKLSABZQQZZLEK-KXBFYZLASA-N 1 0 324.424 3.136 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1COc1ccccc1 ZINC000193612247 201085434 /nfs/dbraw/zinc/08/54/34/201085434.db2.gz VCUOPVLMXXSCJN-KXBFYZLASA-N 1 0 324.424 3.136 10 0 DGAERO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2cccnc2C)C1 ZINC000180720577 432096495 /nfs/dbraw/zinc/09/64/95/432096495.db2.gz CDFQFYDIGOOSON-OALUTQOASA-N 1 0 324.424 3.169 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000180691474 432097065 /nfs/dbraw/zinc/09/70/65/432097065.db2.gz FSNJUVUBGIATBT-CQSZACIVSA-N 1 0 307.438 3.198 10 0 DGAERO CC[C@@H]1C[N@H+](CC[C@@H](C)c2ccccc2)CCN1CCOC ZINC000193900488 201141865 /nfs/dbraw/zinc/14/18/65/201141865.db2.gz NFIXHMDUHIZIQR-IEBWSBKVSA-N 1 0 304.478 3.223 10 0 DGAERO CC[C@H](CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246108468 432097351 /nfs/dbraw/zinc/09/73/51/432097351.db2.gz IZNXEUWNINROQW-AEFFLSMTSA-N 1 0 300.446 3.267 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC000246117082 432097515 /nfs/dbraw/zinc/09/75/15/432097515.db2.gz IDRHSYYBQSLSMC-HJQPHTCJSA-N 1 0 307.482 3.126 10 0 DGAERO C=Cn1cc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cn1 ZINC000194344986 201207988 /nfs/dbraw/zinc/20/79/88/201207988.db2.gz KMEPXPCUYQVAET-UHFFFAOYSA-N 1 0 313.401 3.229 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc(-c2ccco2)s1 ZINC000194390706 201215953 /nfs/dbraw/zinc/21/59/53/201215953.db2.gz RQVPBCUMSPHRJE-CYBMUJFWSA-N 1 0 305.447 3.319 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC2(C3CC3)CC2)cc1NC(C)=O ZINC000090772929 192931749 /nfs/dbraw/zinc/93/17/49/192931749.db2.gz DIZJCOHLSCVLGJ-GFCCVEGCSA-N 1 0 302.418 3.494 10 0 DGAERO C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000195183917 201354926 /nfs/dbraw/zinc/35/49/26/201354926.db2.gz QWADDVDYVNSMES-KSSFIOAISA-N 1 0 319.449 3.379 10 0 DGAERO CCCCOC[C@H](O)C[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000195189524 201356381 /nfs/dbraw/zinc/35/63/81/201356381.db2.gz FAQWYKVPOYGNMV-LJQANCHMSA-N 1 0 320.477 3.049 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1Cl ZINC000195440254 201389676 /nfs/dbraw/zinc/38/96/76/201389676.db2.gz YHNQJBAHCJAJBK-AWEZNQCLSA-N 1 0 318.852 3.468 10 0 DGAERO Cc1ccc(S(=O)(=O)CCC[N@@H+]2C[C@@H](C)CC[C@H]2C)cc1 ZINC000246159115 432100169 /nfs/dbraw/zinc/10/01/69/432100169.db2.gz UIGSNQWJZBODAH-JKSUJKDBSA-N 1 0 309.475 3.279 10 0 DGAERO CCCCOc1ccccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171080322 432100235 /nfs/dbraw/zinc/10/02/35/432100235.db2.gz AEGCPHAAEBAPIG-CQSZACIVSA-N 1 0 305.422 3.033 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(COC)c2)[C@@H](C)C1 ZINC000245952609 202554586 /nfs/dbraw/zinc/55/45/86/202554586.db2.gz BJAZAFVXJVWHAX-WMLDXEAASA-N 1 0 319.449 3.027 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(C)(C)c3ccccc3)[C@H]2C1 ZINC000180779365 432100573 /nfs/dbraw/zinc/10/05/73/432100573.db2.gz RPSVJHADYMABRD-SQNIBIBYSA-N 1 0 303.446 3.233 10 0 DGAERO C[NH+](C)CCN(C(=O)N1CCc2ccccc21)C1CCCCC1 ZINC000445066294 239385545 /nfs/dbraw/zinc/38/55/45/239385545.db2.gz POUDPZIHAHVPMU-UHFFFAOYSA-N 1 0 315.461 3.365 10 0 DGAERO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070075593 283734772 /nfs/dbraw/zinc/73/47/72/283734772.db2.gz UKZLNUIMOFAVGQ-TUAOUCFPSA-N 1 0 302.340 3.328 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)C1CCCC1 ZINC000070306778 283737123 /nfs/dbraw/zinc/73/71/23/283737123.db2.gz GMTPRJXHDOJMHR-CJNGLKHVSA-N 1 0 311.853 3.386 10 0 DGAERO CC(C)CCOc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000171082078 432101303 /nfs/dbraw/zinc/10/13/03/432101303.db2.gz OPNKOFSVLPDSPB-MRXNPFEDSA-N 1 0 319.449 3.279 10 0 DGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@@H]1C ZINC000246978980 202634213 /nfs/dbraw/zinc/63/42/13/202634213.db2.gz JXVWTKRRIQONEQ-OPQQBVKSSA-N 1 0 311.223 3.164 10 0 DGAERO COCc1cc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)ccc1OC ZINC000247160868 202648296 /nfs/dbraw/zinc/64/82/96/202648296.db2.gz ZIEJDUHKEQPETI-YSVLISHTSA-N 1 0 307.434 3.043 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C1CCCC1)CC2 ZINC000246172379 432103514 /nfs/dbraw/zinc/10/35/14/432103514.db2.gz LHPMVAFVZPSXNN-OIISXLGYSA-N 1 0 307.482 3.222 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(F)cccc2Cl)C1 ZINC000246178584 432104323 /nfs/dbraw/zinc/10/43/23/432104323.db2.gz BZJCCEPGKXNFRL-SMDDNHRTSA-N 1 0 310.800 3.035 10 0 DGAERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)CCO1 ZINC000449128760 240028716 /nfs/dbraw/zinc/02/87/16/240028716.db2.gz ALZRMAWRQNDEDX-NUEKZKHPSA-N 1 0 307.434 3.182 10 0 DGAERO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)CCO1 ZINC000449128758 240028886 /nfs/dbraw/zinc/02/88/86/240028886.db2.gz ALZRMAWRQNDEDX-CWRNSKLLSA-N 1 0 307.434 3.182 10 0 DGAERO c1cc2c(s1)CCN(CC[NH2+]Cc1cc3cccnc3o1)C2 ZINC000449091686 240013198 /nfs/dbraw/zinc/01/31/98/240013198.db2.gz KDGPMSJPNLTYKJ-UHFFFAOYSA-N 1 0 313.426 3.037 10 0 DGAERO C[C@H](C[NH2+]C[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000449173105 240050387 /nfs/dbraw/zinc/05/03/87/240050387.db2.gz NAXRBJGZJYQJPF-CZUORRHYSA-N 1 0 305.368 3.434 10 0 DGAERO C[C@H](C[NH2+]CCCC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000449171309 240050526 /nfs/dbraw/zinc/05/05/26/240050526.db2.gz SXPGSIFGJSCQND-LLVKDONJSA-N 1 0 323.380 3.126 10 0 DGAERO OC[C@@H](C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000449178565 240053229 /nfs/dbraw/zinc/05/32/29/240053229.db2.gz XPICKKBLSYNWLR-UKRRQHHQSA-N 1 0 321.342 3.457 10 0 DGAERO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1cccc(-n2ccnc2)c1 ZINC000189915331 432104561 /nfs/dbraw/zinc/10/45/61/432104561.db2.gz CFWQAWJPMZRSIA-QGZVFWFLSA-N 1 0 312.461 3.255 10 0 DGAERO OCCC1([NH2+]Cc2cc(F)cc(Br)c2)CCCC1 ZINC000449316793 240127556 /nfs/dbraw/zinc/12/75/56/240127556.db2.gz PROHUKOVYJPPLW-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO c1cc(CCC[NH2+]CCCC2CCOCC2)cc2c1OCC2 ZINC000449354856 240152018 /nfs/dbraw/zinc/15/20/18/240152018.db2.gz SBFZSRJWRMXZIW-UHFFFAOYSA-N 1 0 303.446 3.351 10 0 DGAERO Brc1cnc(C[NH2+]CCCC2CCOCC2)s1 ZINC000449355092 240152636 /nfs/dbraw/zinc/15/26/36/240152636.db2.gz VNXFEYUQMIAKAN-UHFFFAOYSA-N 1 0 319.268 3.202 10 0 DGAERO Cc1nc(C[NH2+]C2CCSCC2)sc1Br ZINC000449400032 240176231 /nfs/dbraw/zinc/17/62/31/240176231.db2.gz GQACGULRNVBOCZ-UHFFFAOYSA-N 1 0 307.282 3.199 10 0 DGAERO c1ccc(COc2cccc(C[NH2+]CC3=CCOCC3)c2)nc1 ZINC000449401804 240176908 /nfs/dbraw/zinc/17/69/08/240176908.db2.gz IUFAAYATSVGKRB-UHFFFAOYSA-N 1 0 310.397 3.097 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c(OC)c1 ZINC000449469305 240224599 /nfs/dbraw/zinc/22/45/99/240224599.db2.gz SQRNTNKSKXTCKJ-DVOMOZLQSA-N 1 0 307.434 3.422 10 0 DGAERO Cn1cc(Br)c(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)n1 ZINC000449485653 240237696 /nfs/dbraw/zinc/23/76/96/240237696.db2.gz QYZKFUHKEAOYRD-DGCLKSJQSA-N 1 0 312.255 3.241 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCSC[C@@H]3C3CC3)c2)cn1 ZINC000449528739 240268441 /nfs/dbraw/zinc/26/84/41/240268441.db2.gz ROYLYTQHOKCKNL-OAHLLOKOSA-N 1 0 305.472 3.261 10 0 DGAERO COc1ccc2oc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)cc2c1 ZINC000246196685 432105849 /nfs/dbraw/zinc/10/58/49/432105849.db2.gz LPVUTJCCUKMZPY-WBVHZDCISA-N 1 0 319.426 3.148 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@]3(CC=CCC3)C2)C[N@@H+]1C1CC1 ZINC000246190702 432105568 /nfs/dbraw/zinc/10/55/68/432105568.db2.gz IFBMQYALFPWZMU-GPMSIDNRSA-N 1 0 317.477 3.144 10 0 DGAERO C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)o2)CN1Cc1ccccc1 ZINC000449707978 240377592 /nfs/dbraw/zinc/37/75/92/240377592.db2.gz TUZBHCALEONDHV-YOEHRIQHSA-N 1 0 311.429 3.305 10 0 DGAERO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccccc2CCc2ccccc2)C1 ZINC000449712321 240380094 /nfs/dbraw/zinc/38/00/94/240380094.db2.gz REXHJXMDVGDIAZ-PKOBYXMFSA-N 1 0 322.452 3.329 10 0 DGAERO CCC(O)(CC)C[NH2+]Cc1ccc(Br)cc1OC ZINC000180923181 432106223 /nfs/dbraw/zinc/10/62/23/432106223.db2.gz UWLJGTQURBYVTP-UHFFFAOYSA-N 1 0 316.239 3.098 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2nc3ccccc3n2C)c1 ZINC000091286912 193031287 /nfs/dbraw/zinc/03/12/87/193031287.db2.gz CWTTVUJXZWFUGW-CQSZACIVSA-N 1 0 309.413 3.475 10 0 DGAERO CCC[C@@](C)(CO)[NH2+]Cc1ccc(Br)cc1OC ZINC000180942350 432106418 /nfs/dbraw/zinc/10/64/18/432106418.db2.gz ZIKLBDWFPBZZIU-AWEZNQCLSA-N 1 0 316.239 3.098 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091318854 193038935 /nfs/dbraw/zinc/03/89/35/193038935.db2.gz UDTKFAJOUZBEBV-MOPGFXCFSA-N 1 0 302.462 3.147 10 0 DGAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000091373925 193047440 /nfs/dbraw/zinc/04/74/40/193047440.db2.gz LQIWYBGPAKCSBI-NHYWBVRUSA-N 1 0 315.866 3.204 10 0 DGAERO COC[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)C(C)C ZINC000091739294 193099961 /nfs/dbraw/zinc/09/99/61/193099961.db2.gz CVDXRTAHMCNRIW-MRXNPFEDSA-N 1 0 306.381 3.284 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCC12CCCC2)COCc1ccccc1F ZINC000451469294 241131490 /nfs/dbraw/zinc/13/14/90/241131490.db2.gz LXYJGCWYNAVAFW-WBVHZDCISA-N 1 0 307.409 3.016 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccc(C)s2)C(C)C)C1 ZINC000171164853 432109299 /nfs/dbraw/zinc/10/92/99/432109299.db2.gz MSZAEBMXTDOOMM-HNNXBMFYSA-N 1 0 323.506 3.461 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000451967944 241287261 /nfs/dbraw/zinc/28/72/61/241287261.db2.gz RVZMVNSFCZMQAE-SFHVURJKSA-N 1 0 321.486 3.301 10 0 DGAERO Cc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cccc1N(C)C ZINC000455071223 242102226 /nfs/dbraw/zinc/10/22/26/242102226.db2.gz JKQMOZRSKAMCTQ-UHFFFAOYSA-N 1 0 320.481 3.303 10 0 DGAERO CC(C)COCCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456261425 242392651 /nfs/dbraw/zinc/39/26/51/242392651.db2.gz FUVDMILEACLUIQ-KRWDZBQOSA-N 1 0 304.434 3.237 10 0 DGAERO CN(C(=O)c1cc2cc(Cl)ccc2o1)C1CC[NH+](C)CC1 ZINC000171224112 432114689 /nfs/dbraw/zinc/11/46/89/432114689.db2.gz UZPMUTWLYDCSSE-UHFFFAOYSA-N 1 0 306.793 3.252 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000246277993 432114856 /nfs/dbraw/zinc/11/48/56/432114856.db2.gz BHWOCWIZCDTHHZ-IINYFYTJSA-N 1 0 313.804 3.329 10 0 DGAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000092096562 193157534 /nfs/dbraw/zinc/15/75/34/193157534.db2.gz CHIANQFJAQSLFI-HNNXBMFYSA-N 1 0 318.417 3.265 10 0 DGAERO C[C@H]1C[C@H](CC[NH+]2CCC(N3CCCNC3=O)CC2)C[C@@H](C)C1 ZINC000246278525 432115198 /nfs/dbraw/zinc/11/51/98/432115198.db2.gz NIWOUCAWJIDQAS-FVQHAEBGSA-N 1 0 321.509 3.329 10 0 DGAERO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000190032157 432116162 /nfs/dbraw/zinc/11/61/62/432116162.db2.gz ULFUPHWFQPASRN-OKZBNKHCSA-N 1 0 323.502 3.218 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CCCCC2)cc1F ZINC000102699479 284023316 /nfs/dbraw/zinc/02/33/16/284023316.db2.gz QVOULYZMZKBNTB-CHWSQXEVSA-N 1 0 322.424 3.322 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C)cc1F ZINC000102698591 284023728 /nfs/dbraw/zinc/02/37/28/284023728.db2.gz JSAULEUXSJUKBM-CYBMUJFWSA-N 1 0 316.376 3.432 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCc3cccc(C)c3)[C@H]2C1 ZINC000181191926 432117169 /nfs/dbraw/zinc/11/71/69/432117169.db2.gz QSAFRUPXEJVFNM-QYZOEREBSA-N 1 0 303.446 3.196 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CCCCCC2)C[C@H]1C ZINC000459008392 243226916 /nfs/dbraw/zinc/22/69/16/243226916.db2.gz IDLWCEDAFHFBAX-WBVHZDCISA-N 1 0 309.498 3.471 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000459243421 243297957 /nfs/dbraw/zinc/29/79/57/243297957.db2.gz SPBSHPZHDIDSBH-IAGOWNOFSA-N 1 0 309.498 3.184 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459268672 243307028 /nfs/dbraw/zinc/30/70/28/243307028.db2.gz SLTRVNMESYMWCV-SFHVURJKSA-N 1 0 317.477 3.339 10 0 DGAERO CCn1nncc1C[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000459307926 243327825 /nfs/dbraw/zinc/32/78/25/243327825.db2.gz AILXKCXFQFPCHJ-UHFFFAOYSA-N 1 0 316.424 3.424 10 0 DGAERO COc1cccc(C2=CC[N@H+](CCn3cc(Cl)cn3)CC2)c1 ZINC000459329986 243337997 /nfs/dbraw/zinc/33/79/97/243337997.db2.gz SDSMLXVCIZEZLF-UHFFFAOYSA-N 1 0 317.820 3.334 10 0 DGAERO c1nc(C2CC2)ncc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000459357690 243348616 /nfs/dbraw/zinc/34/86/16/243348616.db2.gz DANWKXUHKSRSCR-QGZVFWFLSA-N 1 0 301.434 3.278 10 0 DGAERO CCn1nncc1CN1CC=C(c2ccccc2Cl)CC1 ZINC000459364490 243349680 /nfs/dbraw/zinc/34/96/80/243349680.db2.gz AYUNZIYNYQABIU-UHFFFAOYSA-N 1 0 302.809 3.241 10 0 DGAERO c1cc2c(c(NC3CCN(c4cc[nH+]cc4)CC3)c1)OCCC2 ZINC000459445341 243372456 /nfs/dbraw/zinc/37/24/56/243372456.db2.gz SIFZOHXIYOJDBK-UHFFFAOYSA-N 1 0 309.413 3.488 10 0 DGAERO O=C(Oc1cn(C2CC[NH2+]CC2)c2ccccc12)C(F)(F)F ZINC000256017089 202921891 /nfs/dbraw/zinc/92/18/91/202921891.db2.gz ZZNRJPZFOZHWQY-UHFFFAOYSA-N 1 0 312.291 3.034 10 0 DGAERO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C3CC3)cc1)C[C@@H](C)O2 ZINC000459498361 243390375 /nfs/dbraw/zinc/39/03/75/243390375.db2.gz BSJSODNJDNVQME-VCBZYWHSSA-N 1 0 301.430 3.332 10 0 DGAERO CCn1nncc1C[N@@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000459404760 243360583 /nfs/dbraw/zinc/36/05/83/243360583.db2.gz RIPQCPZMKGUTDE-KRWDZBQOSA-N 1 0 312.461 3.486 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@H](OCC4CC4)C3)C2)cc1 ZINC000459422650 243363401 /nfs/dbraw/zinc/36/34/01/243363401.db2.gz GDOKOZPAURZQPF-VQTJNVASSA-N 1 0 314.473 3.152 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000192046063 299392721 /nfs/dbraw/zinc/39/27/21/299392721.db2.gz SJVNDUOFJCYGNI-NILFDRSVSA-N 1 0 324.852 3.063 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[C@@H]2C)CC1 ZINC000466691939 243935211 /nfs/dbraw/zinc/93/52/11/243935211.db2.gz XLWPXZSGSCRBEK-RDJZCZTQSA-N 1 0 309.498 3.186 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113580012 284103227 /nfs/dbraw/zinc/10/32/27/284103227.db2.gz BDLWTKSQPMYTAN-RLFYNMQTSA-N 1 0 315.461 3.188 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(-c2ccccc2)cc1 ZINC000261626823 203083579 /nfs/dbraw/zinc/08/35/79/203083579.db2.gz COKOIDMSEYNCDK-ZMYBRWDISA-N 1 0 324.424 3.037 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(C)(C)c1cccs1 ZINC000114587135 284109933 /nfs/dbraw/zinc/10/99/33/284109933.db2.gz GQLCYPKZCUBAGY-ZDUSSCGKSA-N 1 0 311.495 3.055 10 0 DGAERO CC1(C)CCCC[C@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000468230637 244029322 /nfs/dbraw/zinc/02/93/22/244029322.db2.gz RCEKBFKFMMFACC-SFHVURJKSA-N 1 0 314.473 3.377 10 0 DGAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261746050 203108725 /nfs/dbraw/zinc/10/87/25/203108725.db2.gz NBLOAGOUDKJHOI-FUMNGEBKSA-N 1 0 320.436 3.052 10 0 DGAERO c1cc(OCC[NH+]2CCCCC2)ccc1OCC[C@H]1CCCO1 ZINC000468508982 244047191 /nfs/dbraw/zinc/04/71/91/244047191.db2.gz ZASIPWKYKCXOKL-QGZVFWFLSA-N 1 0 319.445 3.499 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000261884895 203143978 /nfs/dbraw/zinc/14/39/78/203143978.db2.gz ZMJPXZUUYHHXDV-ZWNOBZJWSA-N 1 0 307.825 3.228 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116432590 284121246 /nfs/dbraw/zinc/12/12/46/284121246.db2.gz KTNYDFSAHWMYLQ-JKSUJKDBSA-N 1 0 319.449 3.391 10 0 DGAERO COc1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000470946044 244195587 /nfs/dbraw/zinc/19/55/87/244195587.db2.gz OFPFAWBXWLMZHZ-RISCZKNCSA-N 1 0 303.324 3.347 10 0 DGAERO COc1cccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000470940321 244197756 /nfs/dbraw/zinc/19/77/56/244197756.db2.gz MQRFALNTMVKVBN-FZMZJTMJSA-N 1 0 303.324 3.347 10 0 DGAERO COc1ccccc1CC[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000093105204 193204055 /nfs/dbraw/zinc/20/40/55/193204055.db2.gz DLHHNZBHEKZANW-UHFFFAOYSA-N 1 0 324.428 3.029 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000246328929 432119861 /nfs/dbraw/zinc/11/98/61/432119861.db2.gz KEQMHDIVPPFERG-NEPJUHHUSA-N 1 0 314.882 3.448 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CC[C@@H](OC)C2)cc1OCC(C)C ZINC000471820573 244254655 /nfs/dbraw/zinc/25/46/55/244254655.db2.gz NJDYHVIMFZATGE-JKSUJKDBSA-N 1 0 307.434 3.387 10 0 DGAERO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC1(C)C ZINC000471589920 244220510 /nfs/dbraw/zinc/22/05/10/244220510.db2.gz IRYHCHIOMBGTJX-CJNGLKHVSA-N 1 0 314.429 3.230 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119027498 284132775 /nfs/dbraw/zinc/13/27/75/284132775.db2.gz ACOVPULPZJKDLZ-ZWKOTPCHSA-N 1 0 302.462 3.292 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NC3CCC(C)(C)CC3)CC[C@H]21 ZINC000119109969 284134663 /nfs/dbraw/zinc/13/46/63/284134663.db2.gz IAMMIHHBBGMELT-GOEBONIOSA-N 1 0 307.482 3.081 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119027307 284132622 /nfs/dbraw/zinc/13/26/22/284132622.db2.gz ACOVPULPZJKDLZ-QZTJIDSGSA-N 1 0 302.462 3.292 10 0 DGAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)O2 ZINC000474069353 244365760 /nfs/dbraw/zinc/36/57/60/244365760.db2.gz XGNNSRGBEVJAMY-XWTMOSNGSA-N 1 0 301.430 3.175 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000473649750 244343205 /nfs/dbraw/zinc/34/32/05/244343205.db2.gz FFKRLLZIHYHEGW-CGTJXYLNSA-N 1 0 318.436 3.452 10 0 DGAERO CCc1ccc([C@H]2CCCCN2C(=O)[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000262398477 203284198 /nfs/dbraw/zinc/28/41/98/203284198.db2.gz QTBGFUTYPNWXBF-OFQRWUPVSA-N 1 0 304.434 3.284 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)C(C)(C)C[NH+](C)C ZINC000119647843 284147660 /nfs/dbraw/zinc/14/76/60/284147660.db2.gz NOTWFSJWVFTXBV-QFBILLFUSA-N 1 0 321.509 3.495 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)C(C)(C)C[NH+](C)C ZINC000119647695 284147971 /nfs/dbraw/zinc/14/79/71/284147971.db2.gz NOTWFSJWVFTXBV-APWZRJJASA-N 1 0 321.509 3.495 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000119702953 284149204 /nfs/dbraw/zinc/14/92/04/284149204.db2.gz SFRMULWTHXFXBA-PBHICJAKSA-N 1 0 318.461 3.210 10 0 DGAERO CCCO[C@@H]1CCC[N@H+](Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000093317207 193230806 /nfs/dbraw/zinc/23/08/06/193230806.db2.gz FHZVCHIIMZPDSG-QGZVFWFLSA-N 1 0 316.449 3.127 10 0 DGAERO C[N@H+](CC1CCCCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120171017 284162467 /nfs/dbraw/zinc/16/24/67/284162467.db2.gz RWWYNFRHVGICNS-QGZVFWFLSA-N 1 0 302.466 3.348 10 0 DGAERO C[N@H+](CC1CCCCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120171170 284162690 /nfs/dbraw/zinc/16/26/90/284162690.db2.gz RWWYNFRHVGICNS-KRWDZBQOSA-N 1 0 302.466 3.348 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccco2)c(-c2cccnc2)n1 ZINC000093335131 193233528 /nfs/dbraw/zinc/23/35/28/193233528.db2.gz OLSPQEMGCCGRPH-INIZCTEOSA-N 1 0 308.385 3.412 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC000120337294 284166594 /nfs/dbraw/zinc/16/65/94/284166594.db2.gz UJKHJKSAYNVNTG-UHFFFAOYSA-N 1 0 302.466 3.348 10 0 DGAERO COCCCOC1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000093561373 193268528 /nfs/dbraw/zinc/26/85/28/193268528.db2.gz YHYIQUPXILOHAJ-UHFFFAOYSA-N 1 0 321.461 3.330 10 0 DGAERO COc1c(C)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000093597369 193272687 /nfs/dbraw/zinc/27/26/87/193272687.db2.gz MUIDPDYVVMDJRS-KRWDZBQOSA-N 1 0 302.462 3.230 10 0 DGAERO CCc1oc2ccccc2c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611817 193273517 /nfs/dbraw/zinc/27/35/17/193273517.db2.gz GZJNCZCCDCSEBV-HNNXBMFYSA-N 1 0 313.319 3.494 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000120463071 284170177 /nfs/dbraw/zinc/17/01/77/284170177.db2.gz SERJESAJMLMFFS-RTQWVHSKSA-N 1 0 301.478 3.382 10 0 DGAERO c1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](Oc3cccnc3)C1)CO2 ZINC000093691237 193290681 /nfs/dbraw/zinc/29/06/81/193290681.db2.gz MOIZLMWJRPANLS-SFHVURJKSA-N 1 0 308.381 3.011 10 0 DGAERO Cc1cc(F)cc(NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000120499558 284170849 /nfs/dbraw/zinc/17/08/49/284170849.db2.gz VUQUUBBEIABYQM-UHFFFAOYSA-N 1 0 316.376 3.327 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2ccc(N3CCCC3)nc2)s1 ZINC000093807204 193310055 /nfs/dbraw/zinc/31/00/55/193310055.db2.gz SSHQHXBWXUVJIX-UHFFFAOYSA-N 1 0 316.474 3.121 10 0 DGAERO COc1cc(C[N@H+](C)CCc2ncc(C)s2)cc(OC)c1 ZINC000093807219 193310495 /nfs/dbraw/zinc/31/04/95/193310495.db2.gz PZPMBGJOPJUFEK-UHFFFAOYSA-N 1 0 306.431 3.143 10 0 DGAERO COc1ccc2oc(C[N@H+](C)[C@@H]3CCN(C)[C@H](C)C3)cc2c1 ZINC000093645095 193281611 /nfs/dbraw/zinc/28/16/11/193281611.db2.gz QJFWBYFTEOOWHS-UKRRQHHQSA-N 1 0 302.418 3.356 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000190087145 432121079 /nfs/dbraw/zinc/12/10/79/432121079.db2.gz IJEYVSIITQJHGV-KRWDZBQOSA-N 1 0 321.440 3.186 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000120892777 284180705 /nfs/dbraw/zinc/18/07/05/284180705.db2.gz HWBMAMQLVIIVFO-CYBMUJFWSA-N 1 0 316.376 3.432 10 0 DGAERO CC[C@@H]([NH2+]CCc1ccccc1Br)[C@H]1CCOC1 ZINC000481710508 244774419 /nfs/dbraw/zinc/77/44/19/244774419.db2.gz COQXUCRISQOQBZ-DZGCQCFKSA-N 1 0 312.251 3.396 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000120973390 284184063 /nfs/dbraw/zinc/18/40/63/284184063.db2.gz ZALYUKQLPSMFJD-UONOGXRCSA-N 1 0 304.434 3.438 10 0 DGAERO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181319404 432121835 /nfs/dbraw/zinc/12/18/35/432121835.db2.gz PFVIPCNALNGUJW-OAHLLOKOSA-N 1 0 311.429 3.268 10 0 DGAERO CCn1nccc1C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000121812211 284206331 /nfs/dbraw/zinc/20/63/31/284206331.db2.gz HOXBDPZEMGBSDH-LJQANCHMSA-N 1 0 312.461 3.047 10 0 DGAERO CCc1oc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1C ZINC000122589010 284222068 /nfs/dbraw/zinc/22/20/68/284222068.db2.gz HNNORAOXTASPHJ-UHFFFAOYSA-N 1 0 318.392 3.151 10 0 DGAERO CC(C)CC1(CNC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000122383492 284218555 /nfs/dbraw/zinc/21/85/55/284218555.db2.gz KLLLFWCZTSOZEG-UHFFFAOYSA-N 1 0 309.498 3.232 10 0 DGAERO CS[C@H](C[NH2+]Cc1c(Br)cnn1C)C(C)(C)C ZINC000487579484 245078778 /nfs/dbraw/zinc/07/87/78/245078778.db2.gz ZEIVUEUVGCLHSF-LLVKDONJSA-N 1 0 320.300 3.050 10 0 DGAERO COc1cccc([C@@H]2[C@@H]([NH2+][C@H](C)C3CC3)CCN2C2CC2)c1 ZINC000181283264 432122964 /nfs/dbraw/zinc/12/29/64/432122964.db2.gz UKGSMZNMMKXASW-ZNZDAUKMSA-N 1 0 300.446 3.361 10 0 DGAERO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000488803126 245234470 /nfs/dbraw/zinc/23/44/70/245234470.db2.gz PCEAVIOTRDZDOE-WBVHZDCISA-N 1 0 321.424 3.204 10 0 DGAERO c1cc(C[NH+]2CCCC2)cc(-c2nc(C[C@@H]3CCCO3)no2)c1 ZINC000264627993 204039732 /nfs/dbraw/zinc/03/97/32/204039732.db2.gz SFAAYQMHQCDPSI-INIZCTEOSA-N 1 0 313.401 3.054 10 0 DGAERO c1sc(C2CCCCC2)nc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246365217 432123410 /nfs/dbraw/zinc/12/34/10/432123410.db2.gz NPMXREJIRWCQSS-INIZCTEOSA-N 1 0 305.491 3.471 10 0 DGAERO O=C(NCC1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000489533855 245319789 /nfs/dbraw/zinc/31/97/89/245319789.db2.gz AFQRPRQCCMGAMB-GOSISDBHSA-N 1 0 321.509 3.474 10 0 DGAERO CC[N@H+](CCNC(=O)Nc1cc(C)cc(OC)c1C)C(C)C ZINC000489697171 245336660 /nfs/dbraw/zinc/33/66/60/245336660.db2.gz ARULMTHVTVWQRF-UHFFFAOYSA-N 1 0 307.438 3.164 10 0 DGAERO C[C@H]1CCC[C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125258735 284272131 /nfs/dbraw/zinc/27/21/31/284272131.db2.gz LDQHIJIDAWAEGK-ORBLRFAASA-N 1 0 309.498 3.232 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(C(C)(C)C)cc1 ZINC000125536260 284278251 /nfs/dbraw/zinc/27/82/51/284278251.db2.gz QFGHNTRBPMJKIM-HNAYVOBHSA-N 1 0 305.462 3.424 10 0 DGAERO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nsc(N(C)C)n1 ZINC000126171539 284296500 /nfs/dbraw/zinc/29/65/00/284296500.db2.gz YIJJQRLLLXUVNO-WCQYABFASA-N 1 0 320.437 3.121 10 0 DGAERO CCc1oc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1C ZINC000126300118 284300223 /nfs/dbraw/zinc/30/02/23/284300223.db2.gz PBVLQWNKMAUXQU-UHFFFAOYSA-N 1 0 300.402 3.012 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000126651358 284312509 /nfs/dbraw/zinc/31/25/09/284312509.db2.gz QXGMHKQDRAEKNQ-LSDHHAIUSA-N 1 0 313.445 3.387 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000126651026 284312518 /nfs/dbraw/zinc/31/25/18/284312518.db2.gz QXGMHKQDRAEKNQ-GJZGRUSLSA-N 1 0 313.445 3.387 10 0 DGAERO CC(C)CC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000013724298 181883956 /nfs/dbraw/zinc/88/39/56/181883956.db2.gz SADTWMOHPKEYPL-UHFFFAOYSA-N 1 0 306.450 3.116 10 0 DGAERO Oc1ccc2c(c1)O[C@@H](C[NH2+]CCCOc1ccccc1)CC2 ZINC000013775927 181894469 /nfs/dbraw/zinc/89/44/69/181894469.db2.gz OSKPDOAXGBYHKG-GOSISDBHSA-N 1 0 313.397 3.145 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000246405133 432126661 /nfs/dbraw/zinc/12/66/61/432126661.db2.gz LYNCYRSHKZQWTN-JTDSTZFVSA-N 1 0 320.477 3.091 10 0 DGAERO C[NH+](C)CC(C)(C)CNCc1ccc(Br)c(F)c1 ZINC000127353688 284336675 /nfs/dbraw/zinc/33/66/75/284336675.db2.gz FTLBNZSHJKCFKU-UHFFFAOYSA-N 1 0 317.246 3.266 10 0 DGAERO CN(C)C(C)(C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127355545 284336703 /nfs/dbraw/zinc/33/67/03/284336703.db2.gz FOOUEFUJCHFDGD-UHFFFAOYSA-N 1 0 303.219 3.018 10 0 DGAERO Fc1cc(C[NH2+]CCc2ccccn2)ccc1Br ZINC000127354553 284336742 /nfs/dbraw/zinc/33/67/42/284336742.db2.gz CQAVEGVSTJPUMZ-UHFFFAOYSA-N 1 0 309.182 3.316 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNCc2ccc(Br)c(F)c2)C1 ZINC000127456446 284340408 /nfs/dbraw/zinc/34/04/08/284340408.db2.gz WYOHXLHFOGXWMC-LBPRGKRZSA-N 1 0 315.230 3.020 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246407322 432127395 /nfs/dbraw/zinc/12/73/95/432127395.db2.gz LTOBIUXAVPEHJW-GDBMZVCRSA-N 1 0 319.449 3.244 10 0 DGAERO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190159065 432128121 /nfs/dbraw/zinc/12/81/21/432128121.db2.gz ZWHYAANUAHDCMA-RYUDHWBXSA-N 1 0 308.388 3.152 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000246420822 432128217 /nfs/dbraw/zinc/12/82/17/432128217.db2.gz SDCFZBFTOHHSEK-DOTOQJQBSA-N 1 0 318.461 3.132 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1cccs1)CC2 ZINC000246419067 432128350 /nfs/dbraw/zinc/12/83/50/432128350.db2.gz SKNHVVGGQLERAJ-KFWWJZLASA-N 1 0 321.490 3.466 10 0 DGAERO Cc1ccc(CCC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000181441297 432129275 /nfs/dbraw/zinc/12/92/75/432129275.db2.gz BSNBWQPZJHNJEZ-HOTGVXAUSA-N 1 0 318.461 3.290 10 0 DGAERO CCc1oc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1C ZINC000128574005 284379807 /nfs/dbraw/zinc/37/98/07/284379807.db2.gz NRRVVYPYVURMFR-HNNXBMFYSA-N 1 0 318.392 3.322 10 0 DGAERO CC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@H](C)C(C)C ZINC000246565931 284387896 /nfs/dbraw/zinc/38/78/96/284387896.db2.gz DRLQCULYFMIMQD-CHWSQXEVSA-N 1 0 308.388 3.154 10 0 DGAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000019267795 182111748 /nfs/dbraw/zinc/11/17/48/182111748.db2.gz TZPXUMDWTQNOSJ-UWVGGRQHSA-N 1 0 303.269 3.385 10 0 DGAERO C[C@H]1CCCN([C@@H](C[NH3+])c2ccc(F)c(Br)c2)C1 ZINC000019255021 182111799 /nfs/dbraw/zinc/11/17/99/182111799.db2.gz HOFCHNDNVFOLKM-HZMBPMFUSA-N 1 0 315.230 3.320 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccccc1C(F)(F)F ZINC000128925316 284392017 /nfs/dbraw/zinc/39/20/17/284392017.db2.gz JMPMNDOOKKIBRW-GFCCVEGCSA-N 1 0 316.367 3.412 10 0 DGAERO Nc1ccc2[nH]cc(CN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000019369070 182119885 /nfs/dbraw/zinc/11/98/85/182119885.db2.gz FOXCFIPZINDAQU-UHFFFAOYSA-N 1 0 320.440 3.068 10 0 DGAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2cccc(Br)c2)C1 ZINC000019435616 182123007 /nfs/dbraw/zinc/12/30/07/182123007.db2.gz GZEHKEAJXBFAPH-JMSVASOKSA-N 1 0 311.267 3.427 10 0 DGAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(Br)s2)C1 ZINC000019399047 182121873 /nfs/dbraw/zinc/12/18/73/182121873.db2.gz YASYJBNSVSGFEF-AXFHLTTASA-N 1 0 317.296 3.488 10 0 DGAERO [NH3+][C@H](CC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000019482312 182125430 /nfs/dbraw/zinc/12/54/30/182125430.db2.gz AMJLSNAGQCXYHF-CYBMUJFWSA-N 1 0 319.202 3.478 10 0 DGAERO NC(=[NH2+])c1ccccc1COc1cccc(Br)c1 ZINC000019519214 182127538 /nfs/dbraw/zinc/12/75/38/182127538.db2.gz CCSAAEXJNJSFOR-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO [NH3+][C@@H](C(=O)Nc1ccccc1Br)c1ccccc1 ZINC000019474274 182124740 /nfs/dbraw/zinc/12/47/40/182124740.db2.gz PSQTWEOMHCINCQ-CYBMUJFWSA-N 1 0 305.175 3.088 10 0 DGAERO NC(=[NH2+])c1ccccc1COc1ccc(F)cc1Br ZINC000019485344 182125192 /nfs/dbraw/zinc/12/51/92/182125192.db2.gz GRVXAIQMGWJGHD-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1)c1ccc(F)cc1 ZINC000246429450 432130907 /nfs/dbraw/zinc/13/09/07/432130907.db2.gz CMDYKJPQBVFEAA-KZNAEPCWSA-N 1 0 307.409 3.283 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2O)cc(Cl)c1OC ZINC000135631127 432131383 /nfs/dbraw/zinc/13/13/83/432131383.db2.gz IFEGMTDQAXJVTN-KGLIPLIRSA-N 1 0 313.825 3.140 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccc(Br)cc1 ZINC000019946487 182168495 /nfs/dbraw/zinc/16/84/95/182168495.db2.gz NITWHDMVYNCARB-XHDPSFHLSA-N 1 0 309.251 3.194 10 0 DGAERO Cc1cc(Br)cc(C)c1NC(=O)[C@H]([NH3+])CC(C)C ZINC000020032996 182182113 /nfs/dbraw/zinc/18/21/13/182182113.db2.gz GPWKVLSDKWHTDE-GFCCVEGCSA-N 1 0 313.239 3.378 10 0 DGAERO CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2cccnc2N(C)C)C1 ZINC000171421971 432132187 /nfs/dbraw/zinc/13/21/87/432132187.db2.gz BRQDEVDYYJZINP-GOEBONIOSA-N 1 0 318.465 3.162 10 0 DGAERO Cc1ccc(Oc2ccc(C(N)=[NH2+])cn2)c(Br)c1 ZINC000020077910 182185491 /nfs/dbraw/zinc/18/54/91/182185491.db2.gz ZJLCQHNCPSLPDN-UHFFFAOYSA-N 1 0 306.163 3.229 10 0 DGAERO CCCCC1CCC(c2nnc3sc(CC[NH3+])nn32)CC1 ZINC000020391822 182213987 /nfs/dbraw/zinc/21/39/87/182213987.db2.gz AMESIZNVSVTEKW-UHFFFAOYSA-N 1 0 307.467 3.151 10 0 DGAERO CCOc1ccc(-c2csc3ncnc(NCC[NH3+])c23)cc1 ZINC000020322446 182206984 /nfs/dbraw/zinc/20/69/84/182206984.db2.gz CRVUHLMWZBGFMJ-UHFFFAOYSA-N 1 0 314.414 3.128 10 0 DGAERO CN(C)c1ncccc1CNC(=O)c1cccc(C(F)F)c1 ZINC000171436133 432133086 /nfs/dbraw/zinc/13/30/86/432133086.db2.gz KAKPUAKATLJUHB-UHFFFAOYSA-N 1 0 305.328 3.015 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000246450085 432132995 /nfs/dbraw/zinc/13/29/95/432132995.db2.gz PETWRNKRXWBNGB-JRPNMDOOSA-N 1 0 300.368 3.483 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CCCSC2)cc(Cl)c1OC ZINC000135702942 432133759 /nfs/dbraw/zinc/13/37/59/432133759.db2.gz OCPWTJYLQDYMLT-LLVKDONJSA-N 1 0 301.839 3.342 10 0 DGAERO Cc1nc(CC[NH2+]C2CC(OCc3ccccc3)C2)cs1 ZINC000493890262 246093182 /nfs/dbraw/zinc/09/31/82/246093182.db2.gz BXXSDRQBRAKXEV-UHFFFAOYSA-N 1 0 302.443 3.331 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000021514248 182277559 /nfs/dbraw/zinc/27/75/59/182277559.db2.gz WZMGAQGOPMTJNC-MRXNPFEDSA-N 1 0 300.789 3.301 10 0 DGAERO c1ccc(COC2CC([NH2+]Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000493953392 246100411 /nfs/dbraw/zinc/10/04/11/246100411.db2.gz SWTVPCDIKDMDBE-UHFFFAOYSA-N 1 0 311.381 3.253 10 0 DGAERO C[C@@H]1CN([C@@H](C[NH3+])c2c(Cl)cccc2Cl)C[C@@H](C)O1 ZINC000021812366 182291777 /nfs/dbraw/zinc/29/17/77/182291777.db2.gz XSMUCVZXXMUEQO-BREBYQMCSA-N 1 0 303.233 3.102 10 0 DGAERO CCCCC[NH+]1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000022029907 182305144 /nfs/dbraw/zinc/30/51/44/182305144.db2.gz LCIFSHKQJNPIBV-QGZVFWFLSA-N 1 0 310.869 3.181 10 0 DGAERO COCC(C)(C)C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000494375704 246140685 /nfs/dbraw/zinc/14/06/85/246140685.db2.gz QZDVDWGMVGPTBU-SFHVURJKSA-N 1 0 304.478 3.303 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000494722339 246185306 /nfs/dbraw/zinc/18/53/06/246185306.db2.gz CYMWCIJFGRDPRW-NVXWUHKLSA-N 1 0 302.462 3.343 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246470795 432134507 /nfs/dbraw/zinc/13/45/07/432134507.db2.gz PYWOESFWYWTLRE-TWMKSMIVSA-N 1 0 309.498 3.184 10 0 DGAERO COC[C@@H]([NH2+]CCN1CC=C(C)CC1)c1ccc(Cl)cc1 ZINC000494772875 246189665 /nfs/dbraw/zinc/18/96/65/246189665.db2.gz DDNXWKSDYKZOMK-QGZVFWFLSA-N 1 0 308.853 3.269 10 0 DGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000135184989 284464473 /nfs/dbraw/zinc/46/44/73/284464473.db2.gz GQEFZCIRBVGBOB-OLZOCXBDSA-N 1 0 318.642 3.496 10 0 DGAERO C[C@H]1CC(CC[NH+]2CCC(N3CCCNC3=O)CC2)C[C@H](C)C1 ZINC000135448000 284478003 /nfs/dbraw/zinc/47/80/03/284478003.db2.gz NIWOUCAWJIDQAS-HZPDHXFCSA-N 1 0 321.509 3.329 10 0 DGAERO CC1(C)[C@H]([NH2+]CCc2cccc(Br)c2)[C@@H]2CCO[C@@H]21 ZINC000136457860 284502970 /nfs/dbraw/zinc/50/29/70/284502970.db2.gz CATNIIPIUVEXPA-ZNMIVQPWSA-N 1 0 324.262 3.395 10 0 DGAERO Cc1cnn(CCCCC[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000246499652 432137987 /nfs/dbraw/zinc/13/79/87/432137987.db2.gz HKYXFLJCXTWBRH-MSOLQXFVSA-N 1 0 315.465 3.141 10 0 DGAERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)[NH+](C)C ZINC000138572480 284524861 /nfs/dbraw/zinc/52/48/61/284524861.db2.gz GURQXOAHCPMYPW-IINYFYTJSA-N 1 0 300.805 3.387 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000246491475 432138772 /nfs/dbraw/zinc/13/87/72/432138772.db2.gz DRLBNFNXPJYUDH-UOJCXKCYSA-N 1 0 302.418 3.253 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCSCC(C)C)[C@@H]2C1 ZINC000246506589 432139019 /nfs/dbraw/zinc/13/90/19/432139019.db2.gz KJGPCRXCWVKYCX-BZUAXINKSA-N 1 0 301.496 3.034 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)CC(C)C)[C@@H](C)C1 ZINC000246492375 432138833 /nfs/dbraw/zinc/13/88/33/432138833.db2.gz RUOAXGOPJKAVQE-HOTGVXAUSA-N 1 0 311.514 3.430 10 0 DGAERO CCOc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c(C)c1 ZINC000246512221 432139423 /nfs/dbraw/zinc/13/94/23/432139423.db2.gz SYJAWRSTJJNIFN-RHSMWYFYSA-N 1 0 319.449 3.244 10 0 DGAERO CC[N@@H+]1CC[C@H](NCc2nnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000246527265 432140223 /nfs/dbraw/zinc/14/02/23/432140223.db2.gz VBAFHNZBZZJDKX-ZFWWWQNUSA-N 1 0 316.474 3.025 10 0 DGAERO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1C[C@@H]1C1CC1 ZINC000246546131 432141394 /nfs/dbraw/zinc/14/13/94/432141394.db2.gz QOPIUHYLQYKHPM-NOSIKRSBSA-N 1 0 324.468 3.344 10 0 DGAERO Clc1ccc(SCC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171525345 432140851 /nfs/dbraw/zinc/14/08/51/432140851.db2.gz NUPCMFGZELJBBM-CQSZACIVSA-N 1 0 322.865 3.361 10 0 DGAERO CC(C)(C)OC(=O)CCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000181653905 432141959 /nfs/dbraw/zinc/14/19/59/432141959.db2.gz WPYMPMFWLSQDAY-UHFFFAOYSA-N 1 0 307.438 3.101 10 0 DGAERO Cc1cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c(C)s1 ZINC000171553710 432142866 /nfs/dbraw/zinc/14/28/66/432142866.db2.gz AUASKRLLRLXWGH-UHFFFAOYSA-N 1 0 316.474 3.256 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)s1 ZINC000037090183 182866679 /nfs/dbraw/zinc/86/66/79/182866679.db2.gz VSSQRKUSWAPOST-KBPBESRZSA-N 1 0 302.447 3.166 10 0 DGAERO COC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000171593757 432147748 /nfs/dbraw/zinc/14/77/48/432147748.db2.gz JUBBCYOHZSTQQW-HNNXBMFYSA-N 1 0 318.461 3.102 10 0 DGAERO CC[C@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)no1 ZINC000037606089 182913432 /nfs/dbraw/zinc/91/34/32/182913432.db2.gz FEASJMOPNYTKOR-VIFPVBQESA-N 1 0 310.195 3.387 10 0 DGAERO Brc1ccccc1C1CC([NH2+]Cc2cn[nH]c2)C1 ZINC000038006203 182960110 /nfs/dbraw/zinc/96/01/10/182960110.db2.gz OLSSEEGHLZQFQC-UHFFFAOYSA-N 1 0 306.207 3.208 10 0 DGAERO O[C@@H](CN1CCO[C@H](c2ccc(F)cc2)C1)C1CCCCC1 ZINC000190370502 432148673 /nfs/dbraw/zinc/14/86/73/432148673.db2.gz ZSTNGWFURCPLOT-ROUUACIJSA-N 1 0 307.409 3.140 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccc(Br)s1 ZINC000038001769 182957907 /nfs/dbraw/zinc/95/79/07/182957907.db2.gz SQRSDODTBMZIBT-GXSJLCMTSA-N 1 0 315.280 3.255 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)ccc1F ZINC000152647251 284633232 /nfs/dbraw/zinc/63/32/32/284633232.db2.gz AXPXCKXMGCCIFU-LBPRGKRZSA-N 1 0 317.360 3.456 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000040502123 183084470 /nfs/dbraw/zinc/08/44/70/183084470.db2.gz BBACODPVFGANGE-ZDUSSCGKSA-N 1 0 302.340 3.159 10 0 DGAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccc(F)cc1F ZINC000040687673 183117938 /nfs/dbraw/zinc/11/79/38/183117938.db2.gz LFEOMQUJVQMHMK-UHFFFAOYSA-N 1 0 314.299 3.219 10 0 DGAERO CC(=O)NCCNc1cc(C)[nH+]c2cc(C(F)(F)F)ccc12 ZINC000040570994 183103510 /nfs/dbraw/zinc/10/35/10/183103510.db2.gz PEMLNYCWKIRWGH-UHFFFAOYSA-N 1 0 311.307 3.110 10 0 DGAERO CC(C)(C)NNc1[nH+]cnc(Nc2ccccc2Cl)c1N ZINC000040781328 183133103 /nfs/dbraw/zinc/13/31/03/183133103.db2.gz DQDJDOIKEPHKGC-UHFFFAOYSA-N 1 0 306.801 3.171 10 0 DGAERO CC(C)(C)NNc1[nH+]cnc(Nc2ccc(Cl)cc2)c1N ZINC000040782178 183133984 /nfs/dbraw/zinc/13/39/84/183133984.db2.gz CDPZDBPVYNGQAD-UHFFFAOYSA-N 1 0 306.801 3.171 10 0 DGAERO [NH3+][C@H](CC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000040853438 183141702 /nfs/dbraw/zinc/14/17/02/183141702.db2.gz CASQRERAAVHVKB-MRXNPFEDSA-N 1 0 302.805 3.089 10 0 DGAERO [NH3+]CCN(Cc1cc(Br)ccc1F)C1CCCC1 ZINC000042428113 183269100 /nfs/dbraw/zinc/26/91/00/183269100.db2.gz QZYVEKYCABFFQZ-UHFFFAOYSA-N 1 0 315.230 3.292 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1Br ZINC000042338126 183256091 /nfs/dbraw/zinc/25/60/91/183256091.db2.gz PKZBSTJKMKFLQZ-GFCCVEGCSA-N 1 0 314.223 3.069 10 0 DGAERO CCN(CC[NH2+]C(C)C)Cc1ccc(F)c(Br)c1 ZINC000042387245 183262691 /nfs/dbraw/zinc/26/26/91/183262691.db2.gz UAAHNTBVCLYMKH-UHFFFAOYSA-N 1 0 317.246 3.408 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2ccccc2c1O ZINC000246622796 432150263 /nfs/dbraw/zinc/15/02/63/432150263.db2.gz TXSDGDKCFFBNNV-CVEARBPZSA-N 1 0 324.424 3.244 10 0 DGAERO CCOCCO[C@H](c1ccc(Br)cc1)[C@@H]([NH3+])CC ZINC000042957168 183322648 /nfs/dbraw/zinc/32/26/48/183322648.db2.gz NPDIJUNUODSFEV-UONOGXRCSA-N 1 0 316.239 3.281 10 0 DGAERO Cc1nn([C@H](C[NH3+])c2ccc(Br)cc2)c(C)c1C ZINC000042956109 183322836 /nfs/dbraw/zinc/32/28/36/183322836.db2.gz SONLUZFWDYMYKD-CQSZACIVSA-N 1 0 308.223 3.119 10 0 DGAERO C[C@@H]([NH3+])[C@H](OCC(F)(F)F)c1ccc(Br)cc1 ZINC000042956326 183322868 /nfs/dbraw/zinc/32/28/68/183322868.db2.gz VROQJRHHJBZMMR-XCBNKYQSSA-N 1 0 312.129 3.416 10 0 DGAERO CC[C@H]([NH3+])[C@@H](SCCC(=O)OC)c1cccc(Cl)c1 ZINC000043019524 183328318 /nfs/dbraw/zinc/32/83/18/183328318.db2.gz MUOMXCFOUCPYLA-JSGCOSHPSA-N 1 0 301.839 3.415 10 0 DGAERO CC(C)OCCO[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043023051 183330280 /nfs/dbraw/zinc/33/02/80/183330280.db2.gz CYGLEOBFWBNWOB-FZMZJTMJSA-N 1 0 316.239 3.279 10 0 DGAERO C[C@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000043022935 183330983 /nfs/dbraw/zinc/33/09/83/183330983.db2.gz RIXNVEHXRSYXMZ-BPNCWPANSA-N 1 0 314.223 3.033 10 0 DGAERO CC[C@H]([NH3+])[C@H](OCCCOC)c1cccc(Br)c1 ZINC000043023924 183331271 /nfs/dbraw/zinc/33/12/71/183331271.db2.gz CVCIJVIDDWDDSV-UONOGXRCSA-N 1 0 316.239 3.281 10 0 DGAERO Cc1cnc(S[C@H](C[NH3+])c2ccccc2Br)nc1 ZINC000043096529 183338134 /nfs/dbraw/zinc/33/81/34/183338134.db2.gz RISAICCEFRPYRT-GFCCVEGCSA-N 1 0 324.247 3.340 10 0 DGAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCCCC1 ZINC000043258732 183348447 /nfs/dbraw/zinc/34/84/47/183348447.db2.gz RQHRWNGGAKQEAL-SKDRFNHKSA-N 1 0 303.269 3.385 10 0 DGAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccs1 ZINC000043290332 183351368 /nfs/dbraw/zinc/35/13/68/183351368.db2.gz MRGMBDJBHGMHKM-CQSZACIVSA-N 1 0 321.490 3.327 10 0 DGAERO C[C@@H]([NH3+])[C@H](OCC(F)(F)F)c1ccccc1Br ZINC000043093989 183336571 /nfs/dbraw/zinc/33/65/71/183336571.db2.gz DWXXABGXRLJNQE-XCBNKYQSSA-N 1 0 312.129 3.416 10 0 DGAERO C[C@H](CN1CCCC1)[NH2+]Cc1sccc1Br ZINC000043675324 183378917 /nfs/dbraw/zinc/37/89/17/183378917.db2.gz WNNJBDYLFCBQEX-SNVBAGLBSA-N 1 0 303.269 3.085 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176636757 284727381 /nfs/dbraw/zinc/72/73/81/284727381.db2.gz ZJUBULJQMPGUBY-HZPDHXFCSA-N 1 0 323.868 3.354 10 0 DGAERO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000104710163 194028915 /nfs/dbraw/zinc/02/89/15/194028915.db2.gz WUKSJIVKCYRGLY-MRXNPFEDSA-N 1 0 320.477 3.203 10 0 DGAERO CSCc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000105034194 194065997 /nfs/dbraw/zinc/06/59/97/194065997.db2.gz RJCJRVYNBNAGDD-MRXNPFEDSA-N 1 0 319.474 3.252 10 0 DGAERO c1cnc2c(c1)cccc2C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805208 194133260 /nfs/dbraw/zinc/13/32/60/194133260.db2.gz JKHUEHWXFAPKHK-UHFFFAOYSA-N 1 0 319.412 3.101 10 0 DGAERO COc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)cc1F ZINC000105875559 194153827 /nfs/dbraw/zinc/15/38/27/194153827.db2.gz IDCMVZXDPFDCLS-UHFFFAOYSA-N 1 0 317.408 3.023 10 0 DGAERO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884397 194156714 /nfs/dbraw/zinc/15/67/14/194156714.db2.gz KGEBKLPIFKTQLJ-OLZOCXBDSA-N 1 0 306.360 3.030 10 0 DGAERO COc1c(C)cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1C ZINC000151410041 196676374 /nfs/dbraw/zinc/67/63/74/196676374.db2.gz MMKXSOHVGVZLES-WMZOPIPTSA-N 1 0 321.486 3.456 10 0 DGAERO CCOc1ccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1F ZINC000106290335 194194212 /nfs/dbraw/zinc/19/42/12/194194212.db2.gz WAGWBZIYTFKGGY-IHRRRGAJSA-N 1 0 322.424 3.102 10 0 DGAERO C[C@@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075023 194184029 /nfs/dbraw/zinc/18/40/29/194184029.db2.gz IAGVFJPTSFRTNU-WMLDXEAASA-N 1 0 314.408 3.278 10 0 DGAERO c1ncn(C[C@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)n1 ZINC000106175964 194188568 /nfs/dbraw/zinc/18/85/68/194188568.db2.gz YELCVTJTUCTGTM-INIZCTEOSA-N 1 0 306.413 3.344 10 0 DGAERO Cc1cccc(OCC[NH+]2CCC(Cc3nccn3C)CC2)c1 ZINC000106166131 194189787 /nfs/dbraw/zinc/18/97/87/194189787.db2.gz AAOOQZZORSVHDY-UHFFFAOYSA-N 1 0 313.445 3.062 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cccc(Cl)c1 ZINC000106424983 194211233 /nfs/dbraw/zinc/21/12/33/194211233.db2.gz JASSLLYXDRDRTB-KRWDZBQOSA-N 1 0 316.832 3.129 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000121526474 284796796 /nfs/dbraw/zinc/79/67/96/284796796.db2.gz SGLLLFIJUPXLLJ-ZIAGYGMSSA-N 1 0 307.438 3.245 10 0 DGAERO Cc1ccc(CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000107523393 194255810 /nfs/dbraw/zinc/25/58/10/194255810.db2.gz UVVVAWDZUGZQBR-SFHVURJKSA-N 1 0 300.446 3.014 10 0 DGAERO COc1cccc(C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C2CC2)c1 ZINC000245532307 284821350 /nfs/dbraw/zinc/82/13/50/284821350.db2.gz HFWDBNPYJGGZJX-NZSAHSFTSA-N 1 0 303.446 3.157 10 0 DGAERO Cc1cc(C)c(C[NH2+]C(C)C)c(-n2cc(Br)cn2)n1 ZINC000051493169 183828022 /nfs/dbraw/zinc/82/80/22/183828022.db2.gz DRVFIQTXSIVEKW-UHFFFAOYSA-N 1 0 323.238 3.145 10 0 DGAERO Clc1ccccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000109821412 194290382 /nfs/dbraw/zinc/29/03/82/194290382.db2.gz AVMYKEGHPKFBFR-MRXNPFEDSA-N 1 0 308.853 3.027 10 0 DGAERO C[NH2+][C@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000053203801 183892625 /nfs/dbraw/zinc/89/26/25/183892625.db2.gz MFGDINCZLUTOHL-NSHDSACASA-N 1 0 303.233 3.056 10 0 DGAERO CSCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000110386288 194327337 /nfs/dbraw/zinc/32/73/37/194327337.db2.gz PUKFQJABJVFVPJ-ALOPSCKCSA-N 1 0 318.486 3.051 10 0 DGAERO c1ccc(CC[N@@H+]2CC[C@H](CNc3ccnc(C4CC4)n3)C2)cc1 ZINC000110537928 194338267 /nfs/dbraw/zinc/33/82/67/194338267.db2.gz YRHLSYWDZUPDPK-QGZVFWFLSA-N 1 0 322.456 3.331 10 0 DGAERO COc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000110596554 194340945 /nfs/dbraw/zinc/34/09/45/194340945.db2.gz SSICYYTYDLGYKP-ALOPSCKCSA-N 1 0 324.428 3.093 10 0 DGAERO CCC[NH2+]C[C@]1(Cc2ccc(Br)s2)CCOC1 ZINC000054664488 183947570 /nfs/dbraw/zinc/94/75/70/183947570.db2.gz OQVYVIOSPCTTQS-CYBMUJFWSA-N 1 0 318.280 3.459 10 0 DGAERO CCC[NH2+]C[C@@]1(Cc2cc(Br)cs2)CCOC1 ZINC000054664671 183947671 /nfs/dbraw/zinc/94/76/71/183947671.db2.gz FLRSMNNXIKDZLN-ZDUSSCGKSA-N 1 0 318.280 3.459 10 0 DGAERO Cc1cc(C[C@@H](C)[NH3+])nc(-c2ccc(Br)cc2)n1 ZINC000054835454 183952619 /nfs/dbraw/zinc/95/26/19/183952619.db2.gz WLUNXHPBBCTBTR-SECBINFHSA-N 1 0 306.207 3.104 10 0 DGAERO COc1ccc([C@@H](C[NH3+])Nc2cccc(Cl)c2)cc1OC ZINC000057637701 184043661 /nfs/dbraw/zinc/04/36/61/184043661.db2.gz YSXLQRLWOKXONT-CQSZACIVSA-N 1 0 306.793 3.469 10 0 DGAERO C[C@H](c1cccs1)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000057977917 184063930 /nfs/dbraw/zinc/06/39/30/184063930.db2.gz YAIVUNDIDNUXPR-ZBFHGGJFSA-N 1 0 305.443 3.319 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(O)c(Br)c1)c1ccncc1 ZINC000057987323 184064635 /nfs/dbraw/zinc/06/46/35/184064635.db2.gz WALKJFKZZNEWEA-SNVBAGLBSA-N 1 0 307.191 3.401 10 0 DGAERO O=C(N[C@@H]1COc2ccccc21)c1cccc(C[NH+]2CCCC2)c1 ZINC000058970382 184132927 /nfs/dbraw/zinc/13/29/27/184132927.db2.gz MBDBVJCRAIPTKZ-GOSISDBHSA-N 1 0 322.408 3.146 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CCCCC2)C1 ZINC000059992128 184143221 /nfs/dbraw/zinc/14/32/21/184143221.db2.gz CZGKVYQVZMOKBT-GASCZTMLSA-N 1 0 309.498 3.375 10 0 DGAERO CC(C)C[NH2+][C@@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689766 184182915 /nfs/dbraw/zinc/18/29/15/184182915.db2.gz GQDVVRQXUQMVDL-ZDUSSCGKSA-N 1 0 304.203 3.041 10 0 DGAERO Fc1ccc(-c2cc(C[NH2+]C3CC3)[nH]n2)cc1Br ZINC000061690657 184183026 /nfs/dbraw/zinc/18/30/26/184183026.db2.gz SFBYBVCIGIAMAV-UHFFFAOYSA-N 1 0 310.170 3.230 10 0 DGAERO C[C@@H]([NH3+])c1ccc(OC[C@@H]2CCCCO2)c(Br)c1 ZINC000061698960 184183845 /nfs/dbraw/zinc/18/38/45/184183845.db2.gz ZYRNLGJREBXYMB-PWSUYJOCSA-N 1 0 314.223 3.417 10 0 DGAERO C[C@@H]([NH3+])c1ccc(-n2nnc3ccccc32)c(Br)c1 ZINC000061698374 184183870 /nfs/dbraw/zinc/18/38/70/184183870.db2.gz XAPCREPDLBDNCW-SECBINFHSA-N 1 0 317.190 3.203 10 0 DGAERO Brc1ccc(N2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000062033150 184202219 /nfs/dbraw/zinc/20/22/19/184202219.db2.gz JHEGHBSWABAEDP-UHFFFAOYSA-N 1 0 324.266 3.156 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@H]1c2cc(Cl)ccc2OC[C@@H]1O ZINC000062190916 184218597 /nfs/dbraw/zinc/21/85/97/184218597.db2.gz LAJRQADEONRGCZ-RDJZCZTQSA-N 1 0 303.789 3.266 10 0 DGAERO CC[NH2+][C@@H](Cc1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000062237841 184223994 /nfs/dbraw/zinc/22/39/94/184223994.db2.gz DTYVVDZCIWCOKH-HIFRSBDPSA-N 1 0 312.251 3.396 10 0 DGAERO CCN(CC)c1cc(Br)ccc1C[NH2+]CCOC ZINC000062734117 184251134 /nfs/dbraw/zinc/25/11/34/184251134.db2.gz LUPYYRBFEXCTDJ-UHFFFAOYSA-N 1 0 315.255 3.031 10 0 DGAERO CCO[C@@H](C[NH3+])CCn1cc(Br)c2ccccc21 ZINC000062741482 184252191 /nfs/dbraw/zinc/25/21/91/184252191.db2.gz NRBZCGOUZBHQAU-LLVKDONJSA-N 1 0 311.223 3.158 10 0 DGAERO [NH3+]Cc1c[nH]c(-c2ccc(Br)cc2C(F)(F)F)n1 ZINC000062820858 184254106 /nfs/dbraw/zinc/25/41/06/184254106.db2.gz YVGRDPSLYXHHOL-UHFFFAOYSA-N 1 0 320.112 3.317 10 0 DGAERO CSc1ccc(Cl)c(C(=O)NC[C@H]([NH3+])c2ccccc2)c1 ZINC000062837703 184255511 /nfs/dbraw/zinc/25/55/11/184255511.db2.gz JAAFHDQZUDJKCG-HNNXBMFYSA-N 1 0 320.845 3.492 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062855767 184256757 /nfs/dbraw/zinc/25/67/57/184256757.db2.gz OXSBTUDMNXQPKQ-AWEZNQCLSA-N 1 0 311.223 3.086 10 0 DGAERO Clc1cnc(NCCC[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000063197175 184278016 /nfs/dbraw/zinc/27/80/16/184278016.db2.gz RSXYTQMOIYMHDN-UHFFFAOYSA-N 1 0 311.216 3.375 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNc1nc(-c2cccc(C)c2)nnc1C ZINC000065195853 184314185 /nfs/dbraw/zinc/31/41/85/184314185.db2.gz ZJEMGVYOKSPCKR-INIZCTEOSA-N 1 0 311.433 3.052 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000069380472 184511181 /nfs/dbraw/zinc/51/11/81/184511181.db2.gz OGTVFWRRNFOSHV-LBPRGKRZSA-N 1 0 321.852 3.210 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000248585306 285007977 /nfs/dbraw/zinc/00/79/77/285007977.db2.gz PWKXRAZFSUPTCS-NLYLCNNHSA-N 1 0 307.482 3.126 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000248649946 285013834 /nfs/dbraw/zinc/01/38/34/285013834.db2.gz LSLGFWSBFVHEES-IAGOWNOFSA-N 1 0 323.502 3.278 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000248644328 285013406 /nfs/dbraw/zinc/01/34/06/285013406.db2.gz FCXRJDBHUVWRKV-NXHRZFHOSA-N 1 0 323.502 3.343 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(C)oc2ccccc21 ZINC000248642213 285013462 /nfs/dbraw/zinc/01/34/62/285013462.db2.gz YATNKBFGTJSVCQ-CABCVRRESA-N 1 0 312.413 3.440 10 0 DGAERO CN1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c2ccccc21 ZINC000245654690 207662839 /nfs/dbraw/zinc/66/28/39/207662839.db2.gz CURJKNIMFYOWPN-HYEGPXJVSA-N 1 0 314.473 3.403 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCOc1ccc(F)cc1Cl ZINC000248743227 285022253 /nfs/dbraw/zinc/02/22/53/285022253.db2.gz FAUXDYQKCSGXSH-PTEHBNRSSA-N 1 0 301.789 3.092 10 0 DGAERO Cc1cnn(C[C@@H]2C[N@H+](CC[C@H](C)c3ccccc3)CCO2)c1 ZINC000248878411 285034861 /nfs/dbraw/zinc/03/48/61/285034861.db2.gz KBECAKAICOIZRQ-HKUYNNGSSA-N 1 0 313.445 3.086 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)c(Br)c1 ZINC000119623993 195005630 /nfs/dbraw/zinc/00/56/30/195005630.db2.gz KKGLCTWZGQCOPA-APPDUMDISA-N 1 0 318.280 3.004 10 0 DGAERO CC(C)[N@H+](CC(=O)Nc1cccc(Cl)c1)C1CCOCC1 ZINC000119602968 195000188 /nfs/dbraw/zinc/00/01/88/195000188.db2.gz VTGSOJNBTOFXIE-UHFFFAOYSA-N 1 0 310.825 3.168 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000119668717 195013297 /nfs/dbraw/zinc/01/32/97/195013297.db2.gz CAMAEQXVWAHNTH-WDSOQIARSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248998178 285044580 /nfs/dbraw/zinc/04/45/80/285044580.db2.gz MKJOFAJIBBTMJH-NWGLXNPWSA-N 1 0 300.446 3.374 10 0 DGAERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)CC1 ZINC000249008688 285045286 /nfs/dbraw/zinc/04/52/86/285045286.db2.gz JIHJHHKZNKIWGP-DLBZAZTESA-N 1 0 322.493 3.223 10 0 DGAERO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)o1 ZINC000119939542 195066230 /nfs/dbraw/zinc/06/62/30/195066230.db2.gz AQHHEEKDWYNODK-CQSZACIVSA-N 1 0 316.376 3.105 10 0 DGAERO O[C@H](C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)C1CCCCC1 ZINC000249145074 285059863 /nfs/dbraw/zinc/05/98/63/285059863.db2.gz WSZSFJUSFNEETI-WOJBJXKFSA-N 1 0 315.457 3.102 10 0 DGAERO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1csc2ccccc12 ZINC000333120447 252936878 /nfs/dbraw/zinc/93/68/78/252936878.db2.gz GLXLZQJNDRXEJT-CQSZACIVSA-N 1 0 303.431 3.411 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249196335 285062387 /nfs/dbraw/zinc/06/23/87/285062387.db2.gz QYATVQVPXXYUDG-RHSMWYFYSA-N 1 0 316.424 3.102 10 0 DGAERO C[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000120135490 195102539 /nfs/dbraw/zinc/10/25/39/195102539.db2.gz MNWNIDCBPUWRSZ-CABCVRRESA-N 1 0 306.475 3.329 10 0 DGAERO Cc1cc(-c2ncccc2NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cs1 ZINC000333262169 252946094 /nfs/dbraw/zinc/94/60/94/252946094.db2.gz FBXXKESYHSWTJN-AAEUAGOBSA-N 1 0 316.430 3.072 10 0 DGAERO CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000249455022 285074967 /nfs/dbraw/zinc/07/49/67/285074967.db2.gz PGYCDCSBYOYBEW-IEBWSBKVSA-N 1 0 316.489 3.349 10 0 DGAERO CC[C@@H](C[N@H+](CC)C[C@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000249480677 285075523 /nfs/dbraw/zinc/07/55/23/285075523.db2.gz WVQGONNHLUSCKT-HOTGVXAUSA-N 1 0 311.491 3.183 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249543451 285080373 /nfs/dbraw/zinc/08/03/73/285080373.db2.gz FPYRGMQWKVMEGI-SJKOYZFVSA-N 1 0 324.852 3.070 10 0 DGAERO CC[C@@H]1CN(C[C@H](C)c2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC000249846729 285089931 /nfs/dbraw/zinc/08/99/31/285089931.db2.gz OMSKJZOTKIMPIM-MAUKXSAKSA-N 1 0 324.896 3.486 10 0 DGAERO COC[C@H](C)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000249852998 285089949 /nfs/dbraw/zinc/08/99/49/285089949.db2.gz PTXIQNNNPYCOCX-DFBGVHRSSA-N 1 0 317.351 3.096 10 0 DGAERO CNc1c(Cl)ncnc1N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000302591705 533044733 /nfs/dbraw/zinc/04/47/33/533044733.db2.gz WLZZHQVPOIBGCX-LBPRGKRZSA-N 1 0 319.840 3.104 10 0 DGAERO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](C)COC ZINC000253294424 285107464 /nfs/dbraw/zinc/10/74/64/285107464.db2.gz GZADMHWSIYAFGV-YOEHRIQHSA-N 1 0 301.434 3.476 10 0 DGAERO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](C)COC ZINC000253294422 285107474 /nfs/dbraw/zinc/10/74/74/285107474.db2.gz GZADMHWSIYAFGV-WMLDXEAASA-N 1 0 301.434 3.476 10 0 DGAERO CCN(Cc1nccn1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000338416805 253284909 /nfs/dbraw/zinc/28/49/09/253284909.db2.gz LCIPZGWXFNMUMY-SJLPKXTDSA-N 1 0 312.461 3.078 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cn2cc(C)ccc2n1 ZINC000159174264 197333063 /nfs/dbraw/zinc/33/30/63/197333063.db2.gz WBSGCTXSIJYBOX-UHFFFAOYSA-N 1 0 300.431 3.164 10 0 DGAERO COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccn3)C2)c1 ZINC000159165060 197332522 /nfs/dbraw/zinc/33/25/22/197332522.db2.gz BZUURBMQQPCBEM-JKSUJKDBSA-N 1 0 311.429 3.410 10 0 DGAERO c1ccc(C[NH+]2CCCC2)c(CNc2ccnc3cccnc32)c1 ZINC000338642203 253325137 /nfs/dbraw/zinc/32/51/37/253325137.db2.gz RYEJEKULVDIFBF-UHFFFAOYSA-N 1 0 318.424 3.260 10 0 DGAERO C[C@H](NC(=O)C/C=C\c1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000255229483 285139315 /nfs/dbraw/zinc/13/93/15/285139315.db2.gz ATOZEDOGZUCOBM-AFNCTOJWSA-N 1 0 306.425 3.322 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc2c(c1)OCCCO2 ZINC000158230615 197254930 /nfs/dbraw/zinc/25/49/30/197254930.db2.gz OYGHCZDMLDAHCP-BPUTZDHNSA-N 1 0 305.418 3.050 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000158135181 197246958 /nfs/dbraw/zinc/24/69/58/197246958.db2.gz WBWPGQCWPJRERD-STQMWFEESA-N 1 0 322.430 3.371 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000255491828 285157866 /nfs/dbraw/zinc/15/78/66/285157866.db2.gz UOJZVOXVPRKGQH-JBXOJTMHSA-N 1 0 310.445 3.409 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)C[S@@](C)=O ZINC000342141288 253933477 /nfs/dbraw/zinc/93/34/77/253933477.db2.gz OWWCHFAIYUIUKX-BTUNKJFTSA-N 1 0 319.392 3.465 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCCOCCO ZINC000342188499 253942651 /nfs/dbraw/zinc/94/26/51/253942651.db2.gz MXWVQBWWXHAAJX-JLHYYAGUSA-N 1 0 317.351 3.097 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCCn2nc(C)cc2C)ccc1F ZINC000152598304 533114534 /nfs/dbraw/zinc/11/45/34/533114534.db2.gz GLLXKEJDISLZNL-CQSZACIVSA-N 1 0 305.397 3.389 10 0 DGAERO Cc1cc(Cl)cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000157540183 197195732 /nfs/dbraw/zinc/19/57/32/197195732.db2.gz VGVBZLSEGVFVPX-MQVJKMGUSA-N 1 0 306.837 3.394 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C[C@H](C)O1 ZINC000343504072 254152716 /nfs/dbraw/zinc/15/27/16/254152716.db2.gz CWIGWFJFQGCXSQ-PIKOESSRSA-N 1 0 316.489 3.444 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C(C)=C\c2ccccc2)C[C@@H]1C ZINC000255673828 285173039 /nfs/dbraw/zinc/17/30/39/285173039.db2.gz MPMYVZHZRUJYEM-DNKLCNGGSA-N 1 0 302.462 3.133 10 0 DGAERO C[C@@H](CNC(=O)C/C=C\c1cccc(F)c1)[NH+]1CCC(C)CC1 ZINC000255844711 285181685 /nfs/dbraw/zinc/18/16/85/285181685.db2.gz YEYLNAFIROJDPT-LEXSJLIMSA-N 1 0 318.436 3.466 10 0 DGAERO c1csc(CCC[NH2+]Cc2cc(-n3ccnc3)cs2)n1 ZINC000344207065 254239106 /nfs/dbraw/zinc/23/91/06/254239106.db2.gz IDORSSBZTOKJOR-UHFFFAOYSA-N 1 0 304.444 3.113 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CC1CCSCC1 ZINC000344403546 254266809 /nfs/dbraw/zinc/26/68/09/254266809.db2.gz CWNMMKQUBSIBNW-UHFFFAOYSA-N 1 0 305.472 3.438 10 0 DGAERO CC(=O)N1CCC([NH2+][C@@H](C)CCc2ccc(Cl)s2)CC1 ZINC000344468380 254274459 /nfs/dbraw/zinc/27/44/59/254274459.db2.gz RUHAHIQNWGEXQH-NSHDSACASA-N 1 0 314.882 3.323 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C\SCc1ccco1 ZINC000255896226 285185934 /nfs/dbraw/zinc/18/59/34/285185934.db2.gz NOAXAPFTHDNOAM-IUCKJTJTSA-N 1 0 310.463 3.119 10 0 DGAERO CS[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000344961585 254319153 /nfs/dbraw/zinc/31/91/53/254319153.db2.gz WBMSFMMGTQWGEY-OCCSQVGLSA-N 1 0 313.850 3.485 10 0 DGAERO Cc1sc2nc(C)nc(N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2c1C ZINC000262473382 285195429 /nfs/dbraw/zinc/19/54/29/285195429.db2.gz JLWKOSKCULMFPO-PBWFPOADSA-N 1 0 316.474 3.336 10 0 DGAERO CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000156766446 197139203 /nfs/dbraw/zinc/13/92/03/197139203.db2.gz YMQBCTDOFINAMF-SJORKVTESA-N 1 0 320.481 3.150 10 0 DGAERO c1ccc2c(c1)ncnc2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269434581 285205184 /nfs/dbraw/zinc/20/51/84/285205184.db2.gz QLWSYWMFWFCAAD-KSSFIOAISA-N 1 0 308.429 3.083 10 0 DGAERO OCC[N@H+](Cc1nnc(-c2ccccc2)s1)C1CCCCC1 ZINC000155612791 197072139 /nfs/dbraw/zinc/07/21/39/197072139.db2.gz FHBXANAHOGCNDP-UHFFFAOYSA-N 1 0 317.458 3.332 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3F)CC[C@H]21 ZINC000154864403 197000017 /nfs/dbraw/zinc/00/00/17/197000017.db2.gz NDKZAHURFDZKOB-RHSMWYFYSA-N 1 0 318.436 3.046 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(F)cccc2F)[C@H](C)C1 ZINC000120388953 195156466 /nfs/dbraw/zinc/15/64/66/195156466.db2.gz UWNGYDRIWWGUNF-BXUZGUMPSA-N 1 0 311.376 3.159 10 0 DGAERO CCCCSCCC(=O)NCC1CC[NH+](CCC)CC1 ZINC000120390778 195157279 /nfs/dbraw/zinc/15/72/79/195157279.db2.gz HUCIOLPPROPJGV-UHFFFAOYSA-N 1 0 300.512 3.148 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2C)[C@H](C)C1 ZINC000120415950 195161581 /nfs/dbraw/zinc/16/15/81/195161581.db2.gz CGEYGUDCGGXWEI-CZUORRHYSA-N 1 0 307.413 3.328 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)n1 ZINC000120489265 195176411 /nfs/dbraw/zinc/17/64/11/195176411.db2.gz RMBNLYCENPRCED-CQSZACIVSA-N 1 0 320.387 3.085 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c(F)c1 ZINC000120496096 195177917 /nfs/dbraw/zinc/17/79/17/195177917.db2.gz ZJBQSNQAYJYRFL-VXGBXAGGSA-N 1 0 319.424 3.466 10 0 DGAERO COc1ccc(Cl)c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000120509436 195180714 /nfs/dbraw/zinc/18/07/14/195180714.db2.gz OFOBGVYBHCFELG-NWDGAFQWSA-N 1 0 323.824 3.049 10 0 DGAERO C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000120829379 195245339 /nfs/dbraw/zinc/24/53/39/195245339.db2.gz BLIKZLIOFFUADH-HZPDHXFCSA-N 1 0 315.461 3.365 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCc2cccs2)cc1F ZINC000120902763 195260378 /nfs/dbraw/zinc/26/03/78/195260378.db2.gz SMLNAAPMOJOKGG-ZFWWWQNUSA-N 1 0 323.433 3.424 10 0 DGAERO Cc1cccc(C2(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CCCCC2)c1 ZINC000152089458 196770348 /nfs/dbraw/zinc/77/03/48/196770348.db2.gz JIIGQVHOTOXCDY-FUHWJXTLSA-N 1 0 314.473 3.441 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000300414164 285319356 /nfs/dbraw/zinc/31/93/56/285319356.db2.gz IMORKCABUXHATB-NZVBXONLSA-N 1 0 310.235 3.187 10 0 DGAERO CCO[C@@H]1CC[N@H+](CC2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000248322762 257106751 /nfs/dbraw/zinc/10/67/51/257106751.db2.gz WWLLNIPHRNFIBD-RTBURBONSA-N 1 0 303.446 3.135 10 0 DGAERO c1cc([C@@H]2C[C@H]3CC[N@@H+](CC4CCCCC4)C[C@@H]3O2)ncn1 ZINC000248129893 257108212 /nfs/dbraw/zinc/10/82/12/257108212.db2.gz WTIRXSMGYWFHGR-NJAFHUGGSA-N 1 0 301.434 3.209 10 0 DGAERO CCc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](c4ccncn4)O[C@H]3C2)cc1 ZINC000253606080 257104226 /nfs/dbraw/zinc/10/42/26/257104226.db2.gz ISWLZMOGDVTAGW-HOJAQTOUSA-N 1 0 323.440 3.391 10 0 DGAERO O[C@H](C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)C1CCCCC1 ZINC000248962423 285348564 /nfs/dbraw/zinc/34/85/64/285348564.db2.gz PYRKUEPLMGROJM-ZWKOTPCHSA-N 1 0 307.434 3.202 10 0 DGAERO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000074314242 184971093 /nfs/dbraw/zinc/97/10/93/184971093.db2.gz LCVCJEGCRNVYRE-OAHLLOKOSA-N 1 0 315.442 3.179 10 0 DGAERO CC(C)COC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000126087259 195808643 /nfs/dbraw/zinc/80/86/43/195808643.db2.gz UMQQOJAUTYIZDN-UHFFFAOYSA-N 1 0 305.418 3.095 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1NC(C)=O ZINC000126217239 195821724 /nfs/dbraw/zinc/82/17/24/195821724.db2.gz KRGJZASIWTYSIY-STQMWFEESA-N 1 0 320.433 3.119 10 0 DGAERO Cc1cccc(-c2n[nH]cc2CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000127730860 195905259 /nfs/dbraw/zinc/90/52/59/195905259.db2.gz GJCYFIMKFUBADW-UHFFFAOYSA-N 1 0 324.472 3.445 10 0 DGAERO CCc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)oc1CC ZINC000127867110 195917306 /nfs/dbraw/zinc/91/73/06/195917306.db2.gz GMXLEFZMKMWVKI-OAHLLOKOSA-N 1 0 318.461 3.352 10 0 DGAERO Clc1cccc(Cl)c1OCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000128227535 195946225 /nfs/dbraw/zinc/94/62/25/195946225.db2.gz JQUPNSCPIQXHTF-NEPJUHHUSA-N 1 0 315.244 3.199 10 0 DGAERO CCOc1cc(C[N@H+](C)C[C@@H]2CCCO2)cc(Cl)c1OC ZINC000127977696 195926726 /nfs/dbraw/zinc/92/67/26/195926726.db2.gz BODQCXRSIFCFAH-ZDUSSCGKSA-N 1 0 313.825 3.358 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178462641 533495318 /nfs/dbraw/zinc/49/53/18/533495318.db2.gz UAYFHUKJXIYBDC-QWHCGFSZSA-N 1 0 310.463 3.287 10 0 DGAERO C[C@@H](CCNC(=O)N1CCC12CCC2)[N@H+](C)Cc1ccccc1 ZINC000435565172 533596239 /nfs/dbraw/zinc/59/62/39/533596239.db2.gz RIOJGHYPQJDARH-INIZCTEOSA-N 1 0 315.461 3.235 10 0 DGAERO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000315445051 285458367 /nfs/dbraw/zinc/45/83/67/285458367.db2.gz VUXDZNJNFOPETG-HIFRSBDPSA-N 1 0 314.458 3.174 10 0 DGAERO Cc1ncc([C@H](C)[NH2+]CCc2csc(N3CCCC3)n2)s1 ZINC000090417441 545826077 /nfs/dbraw/zinc/82/60/77/545826077.db2.gz LHKDOVQIOHTKNG-NSHDSACASA-N 1 0 322.503 3.402 10 0 DGAERO Cc1cc(Nc2ncc(Cl)s2)nc(CC2CC[NH2+]CC2)n1 ZINC000616575775 400176076 /nfs/dbraw/zinc/17/60/76/400176076.db2.gz MHXFFOXBPFLCAG-UHFFFAOYSA-N 1 0 323.853 3.181 10 0 DGAERO CCOC(=O)c1ccccc1[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616595109 400180146 /nfs/dbraw/zinc/18/01/46/400180146.db2.gz VKAIKZFDMBFPOH-IBGZPJMESA-N 1 0 324.424 3.316 10 0 DGAERO CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2[NH2+]CC2CCCCC2)nn1 ZINC000328606753 400182535 /nfs/dbraw/zinc/18/25/35/400182535.db2.gz SUGLYCOFTVNRPY-JKSUJKDBSA-N 1 0 320.481 3.159 10 0 DGAERO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328656005 400184220 /nfs/dbraw/zinc/18/42/20/400184220.db2.gz YXZWEESOOWUIFP-NJAFHUGGSA-N 1 0 320.456 3.114 10 0 DGAERO CNc1ccc([C@H]2CC[N@H+](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC000616611090 400184913 /nfs/dbraw/zinc/18/49/13/400184913.db2.gz AMBNKTWFAIFYAW-HNNXBMFYSA-N 1 0 319.449 3.042 10 0 DGAERO C[C@@H]1Cc2ccsc2[C@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000584883856 400121156 /nfs/dbraw/zinc/12/11/56/400121156.db2.gz SEERTPPSSYVTKR-BDJLRTHQSA-N 1 0 308.447 3.118 10 0 DGAERO CCCc1nnc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)s1 ZINC000091482371 400122642 /nfs/dbraw/zinc/12/26/42/400122642.db2.gz ZHFDQSKEUYFUGC-CQSZACIVSA-N 1 0 308.495 3.335 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1c1cccc(I)c1 ZINC000306214691 400123967 /nfs/dbraw/zinc/12/39/67/400123967.db2.gz NOXWJEZGHXBOJI-SKDRFNHKSA-N 1 0 301.171 3.004 10 0 DGAERO C[C@H]1Cc2c(Br)cc(Br)cc2C[NH2+]1 ZINC000306931732 400126861 /nfs/dbraw/zinc/12/68/61/400126861.db2.gz CSTIQUGAUOPNLC-LURJTMIESA-N 1 0 305.013 3.246 10 0 DGAERO [NH3+][C@@H]1CCc2cc(NC(=O)c3ccccc3Cl)ccc2C1 ZINC000313814193 400137873 /nfs/dbraw/zinc/13/78/73/400137873.db2.gz JDKKOFJSWNZDKR-CYBMUJFWSA-N 1 0 300.789 3.408 10 0 DGAERO Cc1ccccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443266 400169745 /nfs/dbraw/zinc/16/97/45/400169745.db2.gz LYMFRWNECZAGNM-UHFFFAOYSA-N 1 0 306.413 3.417 10 0 DGAERO CC(C)[N@@H+]1CCN[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616632418 400188382 /nfs/dbraw/zinc/18/83/82/400188382.db2.gz IPEDUISQJMPAHM-INIZCTEOSA-N 1 0 319.449 3.388 10 0 DGAERO O=C(NCCC[NH+]1CCCCC1)c1c[nH]c2cc(Cl)ccc12 ZINC000588924560 400245538 /nfs/dbraw/zinc/24/55/38/400245538.db2.gz ZMHVXJNXRNKQTN-UHFFFAOYSA-N 1 0 319.836 3.427 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3ccc4ccccc4n3)C2)cc1 ZINC000616632686 400189563 /nfs/dbraw/zinc/18/95/63/400189563.db2.gz UXIMYMJRRFSEAL-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO OCCc1ccc([C@H]2COCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000616648359 400192563 /nfs/dbraw/zinc/19/25/63/400192563.db2.gz UFSXEQMNLSCELJ-HXUWFJFHSA-N 1 0 311.425 3.185 10 0 DGAERO CC(C)c1nsc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)n1 ZINC000092675840 400193763 /nfs/dbraw/zinc/19/37/63/400193763.db2.gz SBLXLXZBUWDPQJ-OAHLLOKOSA-N 1 0 316.474 3.420 10 0 DGAERO CCOC(=O)c1ccc([C@H]2C[N@@H+](C(C)(C)C)CCCO2)cc1 ZINC000616652592 400194402 /nfs/dbraw/zinc/19/44/02/400194402.db2.gz HGNXZSFWCYDYBC-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO C[N@@H+]1CCOC[C@@H](c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000616659706 400194960 /nfs/dbraw/zinc/19/49/60/400194960.db2.gz DHGVWLJNONKWFU-AWEZNQCLSA-N 1 0 306.406 3.079 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1cnnc2ccccc21 ZINC000616669817 400197622 /nfs/dbraw/zinc/19/76/22/400197622.db2.gz WZANPCINVDTNFP-LJQANCHMSA-N 1 0 304.397 3.082 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccc3ccncc3c2)Nc2ccccc21 ZINC000616686167 400203999 /nfs/dbraw/zinc/20/39/99/400203999.db2.gz YBYIZUBRQPHILB-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO CCOC(=O)c1ccccc1[C@@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616686453 400204124 /nfs/dbraw/zinc/20/41/24/400204124.db2.gz KYICFUBUKIEZEV-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccc3cnccc3c2)Nc2ccccc21 ZINC000616691533 400206654 /nfs/dbraw/zinc/20/66/54/400206654.db2.gz DSVIPPXQBROZST-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccc2ncccc2c1 ZINC000616693320 400206894 /nfs/dbraw/zinc/20/68/94/400206894.db2.gz WZBZQQUBHFWFJK-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO CC(C)c1nccc(Nc2cnn(CC[NH+]3CCCCC3)c2)n1 ZINC000092978308 400218652 /nfs/dbraw/zinc/21/86/52/400218652.db2.gz SPAMGLHIYDXPDE-UHFFFAOYSA-N 1 0 314.437 3.026 10 0 DGAERO CCC[N@@H+]1CC[C@H](NCc2ccsc2Br)C1 ZINC000388540297 400267387 /nfs/dbraw/zinc/26/73/87/400267387.db2.gz VBURITKITHZTPI-NSHDSACASA-N 1 0 303.269 3.085 10 0 DGAERO CC(C)[N@@H+](C)C[C@H](C)NCc1ccsc1Br ZINC000388979374 400267703 /nfs/dbraw/zinc/26/77/03/400267703.db2.gz OEYBICFNNFWSFR-JTQLQIEISA-N 1 0 305.285 3.329 10 0 DGAERO Brc1sccc1C[NH2+]CCCOCC1CC1 ZINC000388902087 400268200 /nfs/dbraw/zinc/26/82/00/400268200.db2.gz VZJFILQBGUPDPA-UHFFFAOYSA-N 1 0 304.253 3.417 10 0 DGAERO CN(C(=O)OC(C)(C)C)[C@@H](C(=[NH2+])NO)c1cccc(Cl)c1 ZINC000409438642 400301046 /nfs/dbraw/zinc/30/10/46/400301046.db2.gz DJZIZWCJAOWVLX-LLVKDONJSA-N 1 0 313.785 3.204 10 0 DGAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccsc2)CC12CCCCC2 ZINC000409420176 400301744 /nfs/dbraw/zinc/30/17/44/400301744.db2.gz BBZUQCRFXBMRLG-INIZCTEOSA-N 1 0 320.502 3.261 10 0 DGAERO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc2c1CCC2 ZINC000033856424 400384045 /nfs/dbraw/zinc/38/40/45/400384045.db2.gz VJVMHTACMVGLOK-GOSISDBHSA-N 1 0 311.425 3.047 10 0 DGAERO C[C@H](CCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106424926 400326475 /nfs/dbraw/zinc/32/64/75/400326475.db2.gz DMZBPOHYQLAALR-YLJYHZDGSA-N 1 0 324.468 3.297 10 0 DGAERO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000108540429 400345751 /nfs/dbraw/zinc/34/57/51/400345751.db2.gz VHFZVEDXIISQGW-CHWSQXEVSA-N 1 0 309.841 3.042 10 0 DGAERO Cc1c2cc(I)ccc2oc1[C@H](C)[NH3+] ZINC000036928756 400392563 /nfs/dbraw/zinc/39/25/63/400392563.db2.gz BCMFGIDFQVZOMR-ZETCQYMHSA-N 1 0 301.127 3.366 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)c2ccncc2)C[C@H]1C ZINC000611218106 400360694 /nfs/dbraw/zinc/36/06/94/400360694.db2.gz NMYGAQGFPIFXOC-YQFWSFKMSA-N 1 0 304.434 3.143 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(C)(C)C ZINC000112429764 400372885 /nfs/dbraw/zinc/37/28/85/400372885.db2.gz CLAGYZMEKDVDAW-KGLIPLIRSA-N 1 0 307.438 3.150 10 0 DGAERO C[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C(C)(C)C ZINC000112432790 400373403 /nfs/dbraw/zinc/37/34/03/400373403.db2.gz KJHXGGGVAIBEIG-IUODEOHRSA-N 1 0 309.429 3.162 10 0 DGAERO Fc1cc(F)cc([C@@H]2C[NH2+]C[C@@H](COCc3ccncc3)C2)c1 ZINC000038410583 400396342 /nfs/dbraw/zinc/39/63/42/400396342.db2.gz SRLSFSNXOCKBFT-HOCLYGCPSA-N 1 0 318.367 3.270 10 0 DGAERO Cn1cc(-c2n[nH]c3cc(-c4ccc(C[NH3+])cc4)ccc32)cn1 ZINC000115878363 400402515 /nfs/dbraw/zinc/40/25/15/400402515.db2.gz YLIQLPPWKHTHIH-UHFFFAOYSA-N 1 0 303.369 3.089 10 0 DGAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000040855219 400403057 /nfs/dbraw/zinc/40/30/57/400403057.db2.gz GWADOGZDSXEZSF-UKRRQHHQSA-N 1 0 306.406 3.220 10 0 DGAERO OC[C@H]([NH2+]Cc1ccccc1)c1ccc(Br)s1 ZINC000041702960 400411950 /nfs/dbraw/zinc/41/19/50/400411950.db2.gz JEAHFUSBRNYNSR-NSHDSACASA-N 1 0 312.232 3.334 10 0 DGAERO O=C(C[C@H]1CN(Cc2ccccc2)CCC1=O)c1ccccc1 ZINC000118583012 400429239 /nfs/dbraw/zinc/42/92/39/400429239.db2.gz OAEABQHLSCMYQV-SFHVURJKSA-N 1 0 307.393 3.351 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000119429491 400436396 /nfs/dbraw/zinc/43/63/96/400436396.db2.gz WNCFZUPFQYDHIR-INIZCTEOSA-N 1 0 321.440 3.090 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000119976753 400441592 /nfs/dbraw/zinc/44/15/92/400441592.db2.gz JWPWCYQGPFEADV-HNNXBMFYSA-N 1 0 311.853 3.485 10 0 DGAERO C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1cccs1 ZINC000043038014 400450646 /nfs/dbraw/zinc/45/06/46/400450646.db2.gz AWIUEIPLHVOGAC-ZDUSSCGKSA-N 1 0 309.479 3.421 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(F)ccc3o2)[C@H](C)C1 ZINC000122375042 400460505 /nfs/dbraw/zinc/46/05/05/400460505.db2.gz MDKYFKLWIIQJAP-IUODEOHRSA-N 1 0 318.392 3.374 10 0 DGAERO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000121811581 400457147 /nfs/dbraw/zinc/45/71/47/400457147.db2.gz XWEAOCSBSGCITM-SFHVURJKSA-N 1 0 302.462 3.054 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)CCCSC)c1ccccc1 ZINC000128311589 400513675 /nfs/dbraw/zinc/51/36/75/400513675.db2.gz LTAKQXLNFWKSKX-INIZCTEOSA-N 1 0 308.491 3.329 10 0 DGAERO COCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000127823328 400506995 /nfs/dbraw/zinc/50/69/95/400506995.db2.gz JSCIYOWJCBMEEJ-SJORKVTESA-N 1 0 324.509 3.208 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(C)cc2)[C@H](C)C1 ZINC000122624902 400462427 /nfs/dbraw/zinc/46/24/27/400462427.db2.gz RKQRCTDMPXVJFQ-AEFFLSMTSA-N 1 0 302.462 3.116 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(C)cc2)[C@H](C)C1 ZINC000122625102 400463066 /nfs/dbraw/zinc/46/30/66/400463066.db2.gz RKQRCTDMPXVJFQ-SJLPKXTDSA-N 1 0 302.462 3.116 10 0 DGAERO Cc1cccc2c1CCN2C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000124829783 400479346 /nfs/dbraw/zinc/47/93/46/400479346.db2.gz GGONGWBAWOKZQB-OAHLLOKOSA-N 1 0 303.450 3.043 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000044388814 400490903 /nfs/dbraw/zinc/49/09/03/400490903.db2.gz GAEZXZCNESQXNZ-OAHLLOKOSA-N 1 0 318.436 3.238 10 0 DGAERO CC[C@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)c1nccs1 ZINC000130490277 400538577 /nfs/dbraw/zinc/53/85/77/400538577.db2.gz LZPXRZQUKMWKDB-LSDHHAIUSA-N 1 0 317.458 3.403 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2C)CC1 ZINC000045905569 400540296 /nfs/dbraw/zinc/54/02/96/400540296.db2.gz SIBWGLSEYQCYOK-UHFFFAOYSA-N 1 0 323.440 3.389 10 0 DGAERO CCCCN1Cc2cc(NCc3c[nH+]ccc3N)ccc2C1=O ZINC000143031934 400633355 /nfs/dbraw/zinc/63/33/55/400633355.db2.gz JLBMFCZEULAZMY-UHFFFAOYSA-N 1 0 310.401 3.032 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)NCCCC[NH+](C)C ZINC000592315698 400634109 /nfs/dbraw/zinc/63/41/09/400634109.db2.gz XWQGYSOQJULIAI-KRWDZBQOSA-N 1 0 320.477 3.425 10 0 DGAERO CCOC(=O)c1ncc(C[NH2+][C@@H]2CCC[C@@H]2SCC)s1 ZINC000602829465 400585786 /nfs/dbraw/zinc/58/57/86/400585786.db2.gz IYSPNYDGNLDNSB-NEPJUHHUSA-N 1 0 314.476 3.084 10 0 DGAERO Clc1cc(Cl)cc(NCC[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000139195295 400604581 /nfs/dbraw/zinc/60/45/81/400604581.db2.gz RHXNPRUEPKZKOR-OAHLLOKOSA-N 1 0 314.260 3.089 10 0 DGAERO COc1cccc(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1 ZINC000146934066 400651163 /nfs/dbraw/zinc/65/11/63/400651163.db2.gz NRJCAOCPBSXOGP-QGZVFWFLSA-N 1 0 313.397 3.142 10 0 DGAERO C[C@H]1C[NH2+]CCN1c1nc2ccc(C(F)(F)F)cc2s1 ZINC000145827977 400647362 /nfs/dbraw/zinc/64/73/62/400647362.db2.gz QNNNHQQYZKNESC-QMMMGPOBSA-N 1 0 301.337 3.113 10 0 DGAERO N#Cc1cccc(CO[C@@H]2C[NH2+]C[C@H](Cc3ccccc3)C2)c1 ZINC000149632615 400660538 /nfs/dbraw/zinc/66/05/38/400660538.db2.gz ZSPZMNSDGUCQOM-UXHICEINSA-N 1 0 306.409 3.296 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000151783112 400675653 /nfs/dbraw/zinc/67/56/53/400675653.db2.gz IPLNJFYRFRWCTD-ZYSHUDEJSA-N 1 0 314.473 3.372 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000157678263 400718845 /nfs/dbraw/zinc/71/88/45/400718845.db2.gz NTFNQQAQEVCBRZ-CQSZACIVSA-N 1 0 307.438 3.070 10 0 DGAERO O=C(Nc1ccc2nccn2c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000603882703 400728920 /nfs/dbraw/zinc/72/89/20/400728920.db2.gz VZMOLYSFYTXWOF-UHFFFAOYSA-N 1 0 320.396 3.182 10 0 DGAERO C[NH+](C)CC1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000603894310 400731340 /nfs/dbraw/zinc/73/13/40/400731340.db2.gz JIMPQKKWVPOQAN-UHFFFAOYSA-N 1 0 319.836 3.235 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1 ZINC000052556497 400738062 /nfs/dbraw/zinc/73/80/62/400738062.db2.gz KGCYEUMQCUEIIL-GOSISDBHSA-N 1 0 314.404 3.177 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161777939 400741382 /nfs/dbraw/zinc/74/13/82/400741382.db2.gz LJGSXAMALNWGHE-IIAWOOMASA-N 1 0 324.415 3.161 10 0 DGAERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000052659181 400743026 /nfs/dbraw/zinc/74/30/26/400743026.db2.gz QBTTVVAYOIGNLS-UONOGXRCSA-N 1 0 319.449 3.083 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000163302672 400747560 /nfs/dbraw/zinc/74/75/60/400747560.db2.gz LUBSFBIGDQMLNJ-GHMZBOCLSA-N 1 0 301.427 3.314 10 0 DGAERO C[N@H+](CC(=O)c1c[nH]c2ccccc12)C1Cc2ccccc2C1 ZINC000165933266 400753596 /nfs/dbraw/zinc/75/35/96/400753596.db2.gz YHQCHWSENFLCDV-UHFFFAOYSA-N 1 0 304.393 3.450 10 0 DGAERO C[NH2+][C@@H](c1ccccc1I)C1CCC1 ZINC000157311259 400716473 /nfs/dbraw/zinc/71/64/73/400716473.db2.gz PKHGLTVSWYLGCH-GFCCVEGCSA-N 1 0 301.171 3.352 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054305545 400817583 /nfs/dbraw/zinc/81/75/83/400817583.db2.gz CQBZTOHBSRNFNQ-NSHDSACASA-N 1 0 311.223 3.086 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000054307253 400817608 /nfs/dbraw/zinc/81/76/08/400817608.db2.gz WZLDYASKOXJGTP-BXUZGUMPSA-N 1 0 324.877 3.383 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307682 400817700 /nfs/dbraw/zinc/81/77/00/400817700.db2.gz AWSFIXFYLVFAMD-LLVKDONJSA-N 1 0 315.244 3.342 10 0 DGAERO CC[C@H](C)[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000169678755 400759010 /nfs/dbraw/zinc/75/90/10/400759010.db2.gz QNWHSHRWOQWYRB-XJKSGUPXSA-N 1 0 315.404 3.351 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC000170829159 400776914 /nfs/dbraw/zinc/77/69/14/400776914.db2.gz HZGBKIMZJJTNAE-DAWZGUTISA-N 1 0 315.461 3.058 10 0 DGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000605523071 400872825 /nfs/dbraw/zinc/87/28/25/400872825.db2.gz SBCLMXQAXGWVQI-ZDUSSCGKSA-N 1 0 319.836 3.426 10 0 DGAERO C[NH+](C)CCN(CC1CCCCC1)C(=O)NC1CCCCC1 ZINC000078802586 400826984 /nfs/dbraw/zinc/82/69/84/400826984.db2.gz PXCGBKXXIGTVLO-UHFFFAOYSA-N 1 0 309.498 3.473 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]C[C@H](O)CCC(C)C)c1ccccc1 ZINC000619511198 400858963 /nfs/dbraw/zinc/85/89/63/400858963.db2.gz YZHJRQIMGYAJSV-IAGOWNOFSA-N 1 0 321.461 3.314 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000606638883 400937016 /nfs/dbraw/zinc/93/70/16/400937016.db2.gz DXIVJNTZIKTSRK-SJORKVTESA-N 1 0 317.477 3.272 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000606646088 400938855 /nfs/dbraw/zinc/93/88/55/400938855.db2.gz PRSGRKUDEQZZPY-IAGOWNOFSA-N 1 0 317.477 3.130 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056863913 400954824 /nfs/dbraw/zinc/95/48/24/400954824.db2.gz WSEINKWLZXBKEV-WMLDXEAASA-N 1 0 321.440 3.403 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000056863915 400954850 /nfs/dbraw/zinc/95/48/50/400954850.db2.gz WSEINKWLZXBKEV-YOEHRIQHSA-N 1 0 321.440 3.403 10 0 DGAERO COc1ccc2oc(C[NH2+]CCN3CC=C(C)CC3)cc2c1 ZINC000358163108 285987342 /nfs/dbraw/zinc/98/73/42/285987342.db2.gz HYXMPAWUDJOACE-UHFFFAOYSA-N 1 0 300.402 3.183 10 0 DGAERO CCCC[N@H+](C)CCNC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000606687541 400947838 /nfs/dbraw/zinc/94/78/38/400947838.db2.gz JIZINPDUWHBZFE-MRXNPFEDSA-N 1 0 305.466 3.130 10 0 DGAERO CCC[C@H](C(=O)Nc1cc(F)c(SC)c(F)c1)[NH+](C)C ZINC000184345347 400903312 /nfs/dbraw/zinc/90/33/12/400903312.db2.gz BRZAEBBJNKAVBL-GFCCVEGCSA-N 1 0 302.390 3.356 10 0 DGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC/C=C\c1ccccc1 ZINC000606372871 400904526 /nfs/dbraw/zinc/90/45/26/400904526.db2.gz GFORHXCANKSRFN-SNMSSPIJSA-N 1 0 300.446 3.280 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000606712866 400953569 /nfs/dbraw/zinc/95/35/69/400953569.db2.gz YVFVJGKXGUISGA-AEFFLSMTSA-N 1 0 317.477 3.271 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000606500071 400922918 /nfs/dbraw/zinc/92/29/18/400922918.db2.gz ZEXMEVDCHOXYRU-KBAYOESNSA-N 1 0 315.461 3.025 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000606500712 400922960 /nfs/dbraw/zinc/92/29/60/400922960.db2.gz CQDMYOFXFHNDJB-JKSUJKDBSA-N 1 0 305.466 3.128 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000245398657 401008721 /nfs/dbraw/zinc/00/87/21/401008721.db2.gz UBPRTUGFVGMCOX-YNEHKIRRSA-N 1 0 323.403 3.137 10 0 DGAERO CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000080976498 401011598 /nfs/dbraw/zinc/01/15/98/401011598.db2.gz QCIQRWATVAIKQJ-OAHLLOKOSA-N 1 0 311.429 3.428 10 0 DGAERO [O-][N+]1=CC(c2ccc(-c3ccccc3)cc2)=[N+](O)[C@H]2CCCC[C@@H]21 ZINC000225404624 400956357 /nfs/dbraw/zinc/95/63/57/400956357.db2.gz GHHTWYOGPBJXAH-OALUTQOASA-N 1 0 322.408 3.342 10 0 DGAERO CCc1ccsc1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000227720632 400963655 /nfs/dbraw/zinc/96/36/55/400963655.db2.gz UQCPEIPIBRDDBO-OAHLLOKOSA-N 1 0 300.427 3.009 10 0 DGAERO C[C@H]1SCCN(Cc2ccncc2Br)[C@H]1C ZINC000625176398 401050103 /nfs/dbraw/zinc/05/01/03/401050103.db2.gz JAOKNZIHGSQQHI-VHSXEESVSA-N 1 0 301.253 3.170 10 0 DGAERO CC(C)[C@@H]1CN(Cc2ccncc2Br)CCS1 ZINC000625198169 401057508 /nfs/dbraw/zinc/05/75/08/401057508.db2.gz PMBLMRMZIIAUIS-ZDUSSCGKSA-N 1 0 315.280 3.418 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]CCN1CC=C(C)CC1)CCC2 ZINC000358216692 286000106 /nfs/dbraw/zinc/00/01/06/286000106.db2.gz ACNDOGHTSFKUNN-LJQANCHMSA-N 1 0 300.446 3.314 10 0 DGAERO CC[C@H](C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000246946337 401041433 /nfs/dbraw/zinc/04/14/33/401041433.db2.gz JBUHWVHEAWYTJM-RYQLBKOJSA-N 1 0 302.462 3.417 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247022317 401043010 /nfs/dbraw/zinc/04/30/10/401043010.db2.gz OQKHTCBVCZWXNP-DLBZAZTESA-N 1 0 317.477 3.337 10 0 DGAERO c1ccc([C@@H]2CCCC[C@H]2[NH2+]CCOC2CCOCC2)cc1 ZINC000625334576 401103449 /nfs/dbraw/zinc/10/34/49/401103449.db2.gz RWNGDIUIPNJQRM-RBUKOAKNSA-N 1 0 303.446 3.498 10 0 DGAERO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CCOC2CCOCC2)cc1 ZINC000625362467 401110709 /nfs/dbraw/zinc/11/07/09/401110709.db2.gz ZORUBHGCQKAANG-PKOBYXMFSA-N 1 0 303.446 3.183 10 0 DGAERO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262472838 401118078 /nfs/dbraw/zinc/11/80/78/401118078.db2.gz OUASMHXFKIAASV-QTUASDBPSA-N 1 0 312.457 3.312 10 0 DGAERO Cc1c2ccccc2oc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262462166 401118300 /nfs/dbraw/zinc/11/83/00/401118300.db2.gz KLMPTEDZZXFMDT-BMFZPTHFSA-N 1 0 312.413 3.278 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]CCN1CC=C(C)CC1)CCCO2 ZINC000358226719 286003707 /nfs/dbraw/zinc/00/37/07/286003707.db2.gz OKWSYBMWIUXHQO-GOSISDBHSA-N 1 0 316.445 3.151 10 0 DGAERO CCOC(C[C@@H](C[NH3+])c1ccc(Br)cc1)OCC ZINC000059570516 401092823 /nfs/dbraw/zinc/09/28/23/401092823.db2.gz BHIITUNFIILVJK-LBPRGKRZSA-N 1 0 316.239 3.281 10 0 DGAERO CN(C)C(=O)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000061761331 401163797 /nfs/dbraw/zinc/16/37/97/401163797.db2.gz XYWPKDWANIHSGT-UHFFFAOYSA-N 1 0 302.462 3.284 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000358236516 286007148 /nfs/dbraw/zinc/00/71/48/286007148.db2.gz YZNGECDJAAGKGN-QUCCMNQESA-N 1 0 314.473 3.396 10 0 DGAERO Cc1nc([C@@H](C)[NH2+]CC[C@H]2COc3ccccc3O2)cs1 ZINC000358280741 286019394 /nfs/dbraw/zinc/01/93/94/286019394.db2.gz BQUFAYDMCYIONT-YPMHNXCESA-N 1 0 304.415 3.332 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(-n2cncn2)cc1 ZINC000358287163 286020902 /nfs/dbraw/zinc/02/09/02/286020902.db2.gz ALICWRABSLQROT-JSGCOSHPSA-N 1 0 306.360 3.496 10 0 DGAERO CC[N@H+](CCC1CCN(c2nc(C)cnc2C)CC1)CC1CC1 ZINC000358298601 286024218 /nfs/dbraw/zinc/02/42/18/286024218.db2.gz GFWISLNOBYYICK-UHFFFAOYSA-N 1 0 316.493 3.432 10 0 DGAERO COc1cc(C[NH2+]CC[C@H]2CCCO2)c(SC)cc1OC ZINC000086506473 401179298 /nfs/dbraw/zinc/17/92/98/401179298.db2.gz FXDVRNAVUVBQAP-CYBMUJFWSA-N 1 0 311.447 3.084 10 0 DGAERO C[C@H](c1ccccc1F)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000616011449 401195756 /nfs/dbraw/zinc/19/57/56/401195756.db2.gz GVMGVCUAKVPXRW-CYBMUJFWSA-N 1 0 314.408 3.304 10 0 DGAERO O[C@H](C[NH2+][C@H]1CC=CCC1)COc1c(Cl)cccc1Cl ZINC000088748458 401208173 /nfs/dbraw/zinc/20/81/73/401208173.db2.gz CLBVVHPWPOPKIO-NWDGAFQWSA-N 1 0 316.228 3.431 10 0 DGAERO C[C@@H]1CC[C@@H](Nc2ncc(Cl)cc2Br)C[NH2+]1 ZINC000630093402 401182972 /nfs/dbraw/zinc/18/29/72/401182972.db2.gz NSJIGJGRUCANPE-VXNVDRBHSA-N 1 0 304.619 3.050 10 0 DGAERO Cc1oc(C2CCC2)nc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000065293610 401263264 /nfs/dbraw/zinc/26/32/64/401263264.db2.gz CWKILGJXADNVAI-UHFFFAOYSA-N 1 0 319.449 3.245 10 0 DGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000090250654 401264748 /nfs/dbraw/zinc/26/47/48/401264748.db2.gz OOCKDYXTIRCHQN-NEPJUHHUSA-N 1 0 318.642 3.496 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000625827909 401228562 /nfs/dbraw/zinc/22/85/62/401228562.db2.gz WNDWOFXJEKVJOM-SCZZXKLOSA-N 1 0 302.205 3.255 10 0 DGAERO C[C@@H](O)[C@@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000089931740 401244534 /nfs/dbraw/zinc/24/45/34/401244534.db2.gz ZDNIONZFWKTYHN-VXGBXAGGSA-N 1 0 318.244 3.465 10 0 DGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cccc(Cl)c1Cl)C2 ZINC000634749399 401343696 /nfs/dbraw/zinc/34/36/96/401343696.db2.gz RFHYXSMEGFIFOG-GASCZTMLSA-N 1 0 313.228 3.065 10 0 DGAERO c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CC(CC2CC2)C1 ZINC000621740473 401291452 /nfs/dbraw/zinc/29/14/52/401291452.db2.gz RPDYVUOHBVZYRV-LJQANCHMSA-N 1 0 301.430 3.476 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c2ccccc21 ZINC000621764809 401297568 /nfs/dbraw/zinc/29/75/68/401297568.db2.gz MORDSGKOAJONRC-ZOBUZTSGSA-N 1 0 316.445 3.420 10 0 DGAERO CC(=O)N1CC[C@@H](NCCC[N@@H+](C)CC(C)C)c2ccccc21 ZINC000621765277 401297951 /nfs/dbraw/zinc/29/79/51/401297951.db2.gz VRFYHGJOBPDGAO-GOSISDBHSA-N 1 0 317.477 3.052 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[C@H](C)O2)c2ccccc21 ZINC000621764967 401297974 /nfs/dbraw/zinc/29/79/74/401297974.db2.gz PLDPLMPZFLIFGV-LXZKKBNFSA-N 1 0 302.418 3.032 10 0 DGAERO Clc1ccc(C2(CNC3=[NH+]CCCN3)CCCCC2)cc1 ZINC000066246417 401298067 /nfs/dbraw/zinc/29/80/67/401298067.db2.gz SCOWFMJXFHEKMA-UHFFFAOYSA-N 1 0 305.853 3.481 10 0 DGAERO c1cc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)n(CC2CCC2)n1 ZINC000631174443 401416315 /nfs/dbraw/zinc/41/63/15/401416315.db2.gz MLRGIFFNTPDGCG-KRWDZBQOSA-N 1 0 316.493 3.180 10 0 DGAERO c1cc(C[NH2+]CCCc2nc3ccccc3[nH]2)n(CC2CCC2)n1 ZINC000631052312 401379085 /nfs/dbraw/zinc/37/90/85/401379085.db2.gz OJYGICRHOVYWSW-UHFFFAOYSA-N 1 0 323.444 3.282 10 0 DGAERO CCc1nc(CNCc2ccncc2Br)cs1 ZINC000631069749 401383228 /nfs/dbraw/zinc/38/32/28/401383228.db2.gz XCOBOGHNJIUZNF-UHFFFAOYSA-N 1 0 312.236 3.153 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(F)cc1Cl ZINC000634963559 401390057 /nfs/dbraw/zinc/39/00/57/401390057.db2.gz WTOBZTUMZYGMPN-JQWIXIFHSA-N 1 0 319.829 3.097 10 0 DGAERO C[C@H]1CN(Cc2cc(Br)c(Cl)s2)C[C@H]1C[NH3+] ZINC000634998377 401398665 /nfs/dbraw/zinc/39/86/65/401398665.db2.gz DYXWRSZALQJLQE-JGVFFNPUSA-N 1 0 323.687 3.191 10 0 DGAERO C[C@H](C[NH2+]Cc1ccncc1Br)c1ccccn1 ZINC000631173509 401415776 /nfs/dbraw/zinc/41/57/76/401415776.db2.gz YRWFLEICNRJCPE-LLVKDONJSA-N 1 0 306.207 3.132 10 0 DGAERO O[C@@H](CC[NH2+]Cc1cccc(OCc2ccccc2)c1)C(F)F ZINC000631220282 401429529 /nfs/dbraw/zinc/42/95/29/401429529.db2.gz VUUBRZNMYPWBIB-KRWDZBQOSA-N 1 0 321.367 3.371 10 0 DGAERO c1cnn(-c2cccc(C[NH2+]Cc3cccc4c3CCOC4)c2)c1 ZINC000631244656 401436172 /nfs/dbraw/zinc/43/61/72/401436172.db2.gz SMOBBPTWBPJLGU-UHFFFAOYSA-N 1 0 319.408 3.235 10 0 DGAERO c1cn(-c2csc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)c2)cn1 ZINC000631254151 401438656 /nfs/dbraw/zinc/43/86/56/401438656.db2.gz JVWBVRDRUWJXMD-IRXDYDNUSA-N 1 0 317.458 3.371 10 0 DGAERO c1cnn(-c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)cc2)c1 ZINC000631255282 401439072 /nfs/dbraw/zinc/43/90/72/401439072.db2.gz UAMURHFHVMXKJI-RTBURBONSA-N 1 0 311.429 3.310 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)o2)n[nH]1 ZINC000631256616 401439111 /nfs/dbraw/zinc/43/91/11/401439111.db2.gz VWRAUSSVZUECHU-IRXDYDNUSA-N 1 0 301.390 3.107 10 0 DGAERO C([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)c1nc2c(s1)CCCC2 ZINC000631256731 401439264 /nfs/dbraw/zinc/43/92/64/401439264.db2.gz WMWXKHSKRPUHDL-PBHICJAKSA-N 1 0 306.475 3.459 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccccc1Br ZINC000631696717 401538419 /nfs/dbraw/zinc/53/84/19/401538419.db2.gz SNBNGRSNFMBAJY-LDYMZIIASA-N 1 0 308.166 3.116 10 0 DGAERO COc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1Cl ZINC000358447902 286065636 /nfs/dbraw/zinc/06/56/36/286065636.db2.gz APZYHWSGNROKPD-UHFFFAOYSA-N 1 0 323.824 3.122 10 0 DGAERO c1cn2c(n1)[C@H](N[C@H]1CCCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000631679022 401532605 /nfs/dbraw/zinc/53/26/05/401532605.db2.gz HQPKAOZUFRAOKU-RBUKOAKNSA-N 1 0 324.472 3.362 10 0 DGAERO C[N@@H+]1CCCC[C@H](CNCc2ccsc2Br)C1 ZINC000623657167 401563848 /nfs/dbraw/zinc/56/38/48/401563848.db2.gz KSWSSSJCIAKNFV-LLVKDONJSA-N 1 0 317.296 3.332 10 0 DGAERO c1cc(-c2nc(CN3CCC[C@@H]4C[NH2+]CC[C@@H]43)cs2)cs1 ZINC000631888096 401564092 /nfs/dbraw/zinc/56/40/92/401564092.db2.gz UFKRSUHEEIPZKM-DOMZBBRYSA-N 1 0 319.499 3.446 10 0 DGAERO O[C@@H](CC[NH2+]Cc1ccsc1C(F)(F)F)C(F)(F)F ZINC000628278682 401566073 /nfs/dbraw/zinc/56/60/73/401566073.db2.gz BPTVHSLZZSOZCU-ZETCQYMHSA-N 1 0 307.259 3.170 10 0 DGAERO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)CO1 ZINC000623702069 401569837 /nfs/dbraw/zinc/56/98/37/401569837.db2.gz BLDQUHNTIKFEME-NXEZZACHSA-N 1 0 320.177 3.384 10 0 DGAERO C([NH2+]C[C@@H]1CCN1C1CCCC1)c1nc2c(s1)CCCC2 ZINC000623728703 401572667 /nfs/dbraw/zinc/57/26/67/401572667.db2.gz XRLWWWSSQMXKTN-AWEZNQCLSA-N 1 0 305.491 3.128 10 0 DGAERO c1cc(COc2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)ccn1 ZINC000623752718 401575867 /nfs/dbraw/zinc/57/58/67/401575867.db2.gz KCNNEYAXHMRERE-QUCCMNQESA-N 1 0 324.424 3.318 10 0 DGAERO c1nn[nH]c1C[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000628363395 401583244 /nfs/dbraw/zinc/58/32/44/401583244.db2.gz ILLVRKWCCJGXPE-GOSISDBHSA-N 1 0 306.413 3.138 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000623823848 401583481 /nfs/dbraw/zinc/58/34/81/401583481.db2.gz MYUXOEOWRVOMLR-WAAGHKOSSA-N 1 0 320.177 3.242 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCSCC2)cc(N2CCSCC2)n1 ZINC000631723649 401544717 /nfs/dbraw/zinc/54/47/17/401544717.db2.gz KAKRENNGYICCNW-OAHLLOKOSA-N 1 0 323.531 3.010 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)o1 ZINC000628226295 401553829 /nfs/dbraw/zinc/55/38/29/401553829.db2.gz IMIORAGIWILDJY-AWEZNQCLSA-N 1 0 305.809 3.313 10 0 DGAERO Cc1ncc(C[NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)o1 ZINC000628239799 401557945 /nfs/dbraw/zinc/55/79/45/401557945.db2.gz FRVPRUWZHQYLMM-GOSISDBHSA-N 1 0 301.434 3.229 10 0 DGAERO O=C(c1cc2sccc2s1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632875102 401634164 /nfs/dbraw/zinc/63/41/64/401634164.db2.gz JGGIAAJJQNRZOK-MNOVXSKESA-N 1 0 306.456 3.177 10 0 DGAERO CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1cn[nH]c1 ZINC000624241635 401643128 /nfs/dbraw/zinc/64/31/28/401643128.db2.gz PIXNBTZYHUZQPB-QIIPPGSGSA-N 1 0 314.433 3.186 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2cc(F)cc(Cl)c2)CC1 ZINC000358492533 286076806 /nfs/dbraw/zinc/07/68/06/286076806.db2.gz ASDZEUQRFPPKDT-UHFFFAOYSA-N 1 0 311.788 3.253 10 0 DGAERO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCCN2CCOCC2)o1 ZINC000358497109 286078078 /nfs/dbraw/zinc/07/80/78/286078078.db2.gz WMPFVVBVNIBGKW-WMZOPIPTSA-N 1 0 320.477 3.337 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000628545189 401614829 /nfs/dbraw/zinc/61/48/29/401614829.db2.gz CINOEFHJBCGSNV-CRAIPNDOSA-N 1 0 322.493 3.295 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCc3cccnc3CC1)C2 ZINC000624056653 401620220 /nfs/dbraw/zinc/62/02/20/401620220.db2.gz ITUIEJZZACIHLR-MOPGFXCFSA-N 1 0 308.425 3.060 10 0 DGAERO c1ccc(-c2ncc3c(n2)CC[C@@H]([NH2+]Cc2ccccn2)C3)cc1 ZINC000624477594 401664251 /nfs/dbraw/zinc/66/42/51/401664251.db2.gz VAGSSMXJEIQGDO-QGZVFWFLSA-N 1 0 316.408 3.186 10 0 DGAERO Cc1ccncc1C[NH2+]CCNc1cccc(Br)c1 ZINC000358667351 286119310 /nfs/dbraw/zinc/11/93/10/286119310.db2.gz ZVYTXSRTLGMQNR-UHFFFAOYSA-N 1 0 320.234 3.354 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCOCC1CC1 ZINC000358762637 286147130 /nfs/dbraw/zinc/14/71/30/286147130.db2.gz YVNZEJIEEAGZJW-GOSISDBHSA-N 1 0 311.429 3.266 10 0 DGAERO CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccccc1OC ZINC000358864883 286172412 /nfs/dbraw/zinc/17/24/12/286172412.db2.gz VMHIGMHNJJJZMJ-LBPRGKRZSA-N 1 0 320.462 3.016 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCc1cccnc1 ZINC000358910401 286184944 /nfs/dbraw/zinc/18/49/44/286184944.db2.gz CGQRTDIFNRAZPG-IBGZPJMESA-N 1 0 318.424 3.477 10 0 DGAERO COc1cc(F)ccc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186058644 286226921 /nfs/dbraw/zinc/22/69/21/286226921.db2.gz VXOUYZJCGXTLDB-ZDUSSCGKSA-N 1 0 323.412 3.220 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1c(F)cccc1SC ZINC000359093577 286235459 /nfs/dbraw/zinc/23/54/59/286235459.db2.gz JHCTVPSJNAITJF-AWEZNQCLSA-N 1 0 310.438 3.038 10 0 DGAERO Cn1ccc([C@H]([NH2+]CC(C)(C)CCCO)c2ccc(F)cc2)n1 ZINC000359232392 286265864 /nfs/dbraw/zinc/26/58/64/286265864.db2.gz JGDBZSJILGVARO-QGZVFWFLSA-N 1 0 319.424 3.037 10 0 DGAERO Cn1ccc([C@@H]([NH2+]CC[C@H]2CCCCO2)c2ccc(F)cc2)n1 ZINC000359242536 286267732 /nfs/dbraw/zinc/26/77/32/286267732.db2.gz QCOZKWBJQYFLDO-AEFFLSMTSA-N 1 0 317.408 3.197 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCCCCSC)C12CCOCC2 ZINC000186772946 286280492 /nfs/dbraw/zinc/28/04/92/286280492.db2.gz AVLKDBGCYOYARF-HUUCEWRRSA-N 1 0 301.496 3.084 10 0 DGAERO CO[C@]1(C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)CCOC1 ZINC000359400477 286300184 /nfs/dbraw/zinc/30/01/84/286300184.db2.gz RAQXYVZUBGERDV-HZMBPMFUSA-N 1 0 304.217 3.450 10 0 DGAERO Cc1ccc([C@H]([NH2+]C[C@]2(CCO)CCOC2)C2CCC2)cc1 ZINC000187306848 292260614 /nfs/dbraw/zinc/26/06/14/292260614.db2.gz JPYOJYIKIFSPSF-MOPGFXCFSA-N 1 0 303.446 3.215 10 0 DGAERO CC[C@](C)(OC)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000359556667 286335293 /nfs/dbraw/zinc/33/52/93/286335293.db2.gz FLHLEZIEHQLMKU-KMFMINBZSA-N 1 0 324.490 3.062 10 0 DGAERO c1ccc2c(c1)CC[C@@H](C[NH+]1CCC(O[C@H]3CCOC3)CC1)C2 ZINC000359614454 286347056 /nfs/dbraw/zinc/34/70/56/286347056.db2.gz YZJNLFOOLHHRDU-UZLBHIALSA-N 1 0 315.457 3.061 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000359685355 286360596 /nfs/dbraw/zinc/36/05/96/286360596.db2.gz KUGMCVVLCWANOZ-KRWDZBQOSA-N 1 0 322.452 3.208 10 0 DGAERO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000359844823 286384655 /nfs/dbraw/zinc/38/46/55/286384655.db2.gz UOYUZCHEMUDPGZ-LBPRGKRZSA-N 1 0 304.203 3.085 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C12CCOCC2 ZINC000186219289 286399537 /nfs/dbraw/zinc/39/95/37/286399537.db2.gz HXKAZJDTTRILIL-FGTMMUONSA-N 1 0 301.430 3.238 10 0 DGAERO C[C@@H](CCC1CCCC1)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360028372 286410737 /nfs/dbraw/zinc/41/07/37/286410737.db2.gz DXLNSBDCTIPQTN-INIZCTEOSA-N 1 0 317.477 3.367 10 0 DGAERO CCO[C@H](CC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2)C(C)C ZINC000249039246 286446368 /nfs/dbraw/zinc/44/63/68/286446368.db2.gz USWZDLMWSYVNJC-ZACQAIPSSA-N 1 0 313.482 3.001 10 0 DGAERO CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000360998792 286572912 /nfs/dbraw/zinc/57/29/12/286572912.db2.gz YWZDKFPFAPUSGV-FUHWJXTLSA-N 1 0 322.493 3.129 10 0 DGAERO c1cc(CCC[NH2+]CCc2cnc(C3CC3)nc2)cc2c1OCC2 ZINC000361024091 286579441 /nfs/dbraw/zinc/57/94/41/286579441.db2.gz SJAZDMFNBPVMSG-UHFFFAOYSA-N 1 0 323.440 3.054 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C3CC3)CC1)CCCO2 ZINC000119688541 292367165 /nfs/dbraw/zinc/36/71/65/292367165.db2.gz YPFFTYNTNLWSFK-GOSISDBHSA-N 1 0 300.446 3.425 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3cnn(C)c3)C1)[C@@H](C)C2 ZINC000180636924 292368774 /nfs/dbraw/zinc/36/87/74/292368774.db2.gz LTUFMCPDTQDYFB-XAUMDUMWSA-N 1 0 324.472 3.220 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184516931 292383616 /nfs/dbraw/zinc/38/36/16/292383616.db2.gz BAUQBPJFVFQDHW-UGSOOPFHSA-N 1 0 322.424 3.024 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000361839281 286732994 /nfs/dbraw/zinc/73/29/94/286732994.db2.gz HQHOXWQKULKMIV-UHFFFAOYSA-N 1 0 321.428 3.283 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)c1ccccc1)CCC2 ZINC000361965907 286751819 /nfs/dbraw/zinc/75/18/19/286751819.db2.gz JHUTYPRYDXTVQM-FXAWDEMLSA-N 1 0 311.425 3.438 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000362927513 286877303 /nfs/dbraw/zinc/87/73/03/286877303.db2.gz IKIOYCYSCWJNPO-CQSZACIVSA-N 1 0 311.376 3.448 10 0 DGAERO O=C(C1CC[NH+]([C@@H]2C=CCCC2)CC1)N1CCc2ccccc21 ZINC000171734834 164638149 /nfs/dbraw/zinc/63/81/49/164638149.db2.gz UYDVLGLXFOAZMV-GOSISDBHSA-N 1 0 310.441 3.396 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1Cl ZINC000174196370 164720296 /nfs/dbraw/zinc/72/02/96/164720296.db2.gz YCLGXVQFSBYIDU-KBPBESRZSA-N 1 0 318.852 3.393 10 0 DGAERO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCC1 ZINC000175765439 164766521 /nfs/dbraw/zinc/76/65/21/164766521.db2.gz PTGJQURIRXKVED-CQSZACIVSA-N 1 0 307.482 3.271 10 0 DGAERO COCc1cccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000179215919 164854293 /nfs/dbraw/zinc/85/42/93/164854293.db2.gz UBQIFMVASIVHJR-LJQANCHMSA-N 1 0 302.462 3.283 10 0 DGAERO CC(C)OCCC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000179644345 164863459 /nfs/dbraw/zinc/86/34/59/164863459.db2.gz GNWOPVIRVLIQIT-MRXNPFEDSA-N 1 0 308.441 3.319 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000179997456 164872586 /nfs/dbraw/zinc/87/25/86/164872586.db2.gz KHISVYYJICAZPX-OAGGEKHMSA-N 1 0 311.466 3.103 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc2c(c1)OCO2 ZINC000180398774 164881895 /nfs/dbraw/zinc/88/18/95/164881895.db2.gz KUXNRUWBHYXKJK-WFASDCNBSA-N 1 0 324.380 3.192 10 0 DGAERO CCc1cnccc1C(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000180554412 164888264 /nfs/dbraw/zinc/88/82/64/164888264.db2.gz YAMWBYHLRPNRBS-UHFFFAOYSA-N 1 0 305.466 3.084 10 0 DGAERO CC(C)[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(F)c(F)c1 ZINC000182122391 164929939 /nfs/dbraw/zinc/92/99/39/164929939.db2.gz CJUNPAMFMLIYSW-SJORKVTESA-N 1 0 313.388 3.041 10 0 DGAERO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc(Cl)cc1 ZINC000183471872 164952900 /nfs/dbraw/zinc/95/29/00/164952900.db2.gz SBBSYOSNFWZCAU-LLVKDONJSA-N 1 0 303.793 3.292 10 0 DGAERO C[NH+](C)C1CCN(C(=O)C2(Cc3cccc(F)c3)CCC2)CC1 ZINC000185570241 165008950 /nfs/dbraw/zinc/00/89/50/165008950.db2.gz AZVJQIZUXUUYHH-UHFFFAOYSA-N 1 0 318.436 3.091 10 0 DGAERO CC(C)(C)[NH+]1CCC(NCc2ncc(-c3ccccc3)cn2)CC1 ZINC000186062718 165026352 /nfs/dbraw/zinc/02/63/52/165026352.db2.gz YVAJRJKDLXJIBV-UHFFFAOYSA-N 1 0 324.472 3.496 10 0 DGAERO CCSc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000186152444 165029164 /nfs/dbraw/zinc/02/91/64/165029164.db2.gz TYRMACYOPDLYIU-INIZCTEOSA-N 1 0 316.474 3.302 10 0 DGAERO Cc1ccccc1NC(=O)CN1Cc2ccccc2C2(CC2)C1 ZINC000186176181 165031052 /nfs/dbraw/zinc/03/10/52/165031052.db2.gz DEXCSPVJRHNHIR-UHFFFAOYSA-N 1 0 306.409 3.481 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCc2ccco2)C12CCOCC2 ZINC000186209729 165034000 /nfs/dbraw/zinc/03/40/00/165034000.db2.gz OLGNZGYITZQMLO-USXIJHARSA-N 1 0 307.434 3.165 10 0 DGAERO c1cc(C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)n[nH]1 ZINC000186420411 165043539 /nfs/dbraw/zinc/04/35/39/165043539.db2.gz WMGKSTKNZPAXJW-UHFFFAOYSA-N 1 0 311.429 3.157 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCCSCC(C)C)C12CCOCC2 ZINC000186434329 165043796 /nfs/dbraw/zinc/04/37/96/165043796.db2.gz MVXLEQADRIHVGO-JKSUJKDBSA-N 1 0 315.523 3.330 10 0 DGAERO O=C(c1cc2ccccc2s1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186542977 165048626 /nfs/dbraw/zinc/04/86/26/165048626.db2.gz GEVICSXPJORRHO-CYBMUJFWSA-N 1 0 300.427 3.258 10 0 DGAERO O=C(c1cc(Cl)ccc1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186540696 165048642 /nfs/dbraw/zinc/04/86/42/165048642.db2.gz RTMQLEXVPRGFOY-LLVKDONJSA-N 1 0 313.228 3.350 10 0 DGAERO O=C(c1cc2cc(F)ccc2s1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186542608 165048900 /nfs/dbraw/zinc/04/89/00/165048900.db2.gz VMEROJZULZRABB-ZDUSSCGKSA-N 1 0 318.417 3.397 10 0 DGAERO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c(C)n1 ZINC000186582768 165050580 /nfs/dbraw/zinc/05/05/80/165050580.db2.gz BOJLWDXXVXQYOZ-MRXNPFEDSA-N 1 0 321.428 3.472 10 0 DGAERO CN(CC[N@H+](C)C1CC1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000186774208 165059206 /nfs/dbraw/zinc/05/92/06/165059206.db2.gz LJXFEPCQCZLTSO-INIZCTEOSA-N 1 0 300.446 3.049 10 0 DGAERO COc1cccc([C@@H](C)[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186806532 165061853 /nfs/dbraw/zinc/06/18/53/165061853.db2.gz VSNPOIGNJROPKX-CQSZACIVSA-N 1 0 307.459 3.354 10 0 DGAERO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)C1CCSCC1 ZINC000186976489 165069536 /nfs/dbraw/zinc/06/95/36/165069536.db2.gz DNUFATQONAIAFE-AWEZNQCLSA-N 1 0 301.459 3.494 10 0 DGAERO C[N@H+](CCCCc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000186964074 165069941 /nfs/dbraw/zinc/06/99/41/165069941.db2.gz BLQSPTXURAGOKD-LJQANCHMSA-N 1 0 324.472 3.400 10 0 DGAERO CC1(C)CC[C@H](C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)O1 ZINC000187011186 165073486 /nfs/dbraw/zinc/07/34/86/165073486.db2.gz QQJHDHOJASIPGU-QGZVFWFLSA-N 1 0 322.493 3.105 10 0 DGAERO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(C)nc3C)C2)n1 ZINC000187066335 165075677 /nfs/dbraw/zinc/07/56/77/165075677.db2.gz HDVORNBSDYPLIF-QGZVFWFLSA-N 1 0 310.445 3.336 10 0 DGAERO Cc1ccc(OC2CC[NH+](Cc3ccc(C)nc3C)CC2)nc1 ZINC000187400376 165089618 /nfs/dbraw/zinc/08/96/18/165089618.db2.gz PDSSWEQMIUKTQD-UHFFFAOYSA-N 1 0 311.429 3.445 10 0 DGAERO C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cnccn1 ZINC000187570874 165095322 /nfs/dbraw/zinc/09/53/22/165095322.db2.gz OASAJEXPHZNVMZ-QFBILLFUSA-N 1 0 310.445 3.182 10 0 DGAERO Cc1ccc2cccc(C(=O)NCc3ccc4c(c3)C[NH2+]C4)c2n1 ZINC000188691875 165132028 /nfs/dbraw/zinc/13/20/28/165132028.db2.gz CYDFPJNCBVNOGK-UHFFFAOYSA-N 1 0 317.392 3.076 10 0 DGAERO C/C(=C\c1ccccc1Cl)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188850276 165139642 /nfs/dbraw/zinc/13/96/42/165139642.db2.gz NLDCWQJGYKNMHU-OUKQBFOZSA-N 1 0 304.821 3.050 10 0 DGAERO CCC(CC)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188984490 165145114 /nfs/dbraw/zinc/14/51/14/165145114.db2.gz VFRXLKDFEPJNCK-PBHICJAKSA-N 1 0 324.415 3.353 10 0 DGAERO CC(C)c1n[nH]cc1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000189087192 165148851 /nfs/dbraw/zinc/14/88/51/165148851.db2.gz IVYFRDKSBYGPAZ-MRXNPFEDSA-N 1 0 320.481 3.019 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[C@H](Cc3ccccc3)C1)CC2 ZINC000189166355 165151785 /nfs/dbraw/zinc/15/17/85/165151785.db2.gz QKLJJJBLLYDPMQ-KZNAEPCWSA-N 1 0 324.472 3.156 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000189538315 165164132 /nfs/dbraw/zinc/16/41/32/165164132.db2.gz CBJTXISSSNSLIU-KDOFPFPSSA-N 1 0 315.461 3.092 10 0 DGAERO CC[C@@](C)(O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189814977 165178934 /nfs/dbraw/zinc/17/89/34/165178934.db2.gz WZKFVRZBYXUAHN-GOSISDBHSA-N 1 0 302.418 3.477 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cccc(CSC)c1 ZINC000189954134 165183855 /nfs/dbraw/zinc/18/38/55/165183855.db2.gz IAHQSJBZULJFDE-CQSZACIVSA-N 1 0 323.506 3.079 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc2ccn(C)c21 ZINC000190028711 165186391 /nfs/dbraw/zinc/18/63/91/165186391.db2.gz ZGBAEQSJJNPGOP-ZDUSSCGKSA-N 1 0 302.422 3.030 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)NCC[NH+]1CCCCCC1 ZINC000190160798 165191101 /nfs/dbraw/zinc/19/11/01/165191101.db2.gz IECMNNHMKHPYHZ-UHFFFAOYSA-N 1 0 321.490 3.010 10 0 DGAERO CC1CCN(C(=O)CN2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000190209731 165193201 /nfs/dbraw/zinc/19/32/01/165193201.db2.gz KXDYWMKJVHFFHE-ZDUSSCGKSA-N 1 0 320.399 3.155 10 0 DGAERO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H](O)C1CCCCC1 ZINC000190317473 165196748 /nfs/dbraw/zinc/19/67/48/165196748.db2.gz CRSIVYBUVRFCCX-LJQANCHMSA-N 1 0 313.445 3.245 10 0 DGAERO O[C@H](CC1CCCC1)CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000190370426 165201446 /nfs/dbraw/zinc/20/14/46/165201446.db2.gz HONUYUSHNUNHQX-MSOLQXFVSA-N 1 0 307.409 3.140 10 0 DGAERO CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)C1 ZINC000190421167 165201769 /nfs/dbraw/zinc/20/17/69/165201769.db2.gz HVOGGRLJMZWWPR-FXUDXRNXSA-N 1 0 307.438 3.356 10 0 DGAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+]CCC(C)C)C2)c1 ZINC000190782185 165215044 /nfs/dbraw/zinc/21/50/44/165215044.db2.gz LZXSTOCNCJTSMM-OAHLLOKOSA-N 1 0 306.450 3.166 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNCc1ccc(Br)o1 ZINC000190768345 165215385 /nfs/dbraw/zinc/21/53/85/165215385.db2.gz NYLYWARKQRLRCJ-LLVKDONJSA-N 1 0 301.228 3.006 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000191071330 165228728 /nfs/dbraw/zinc/22/87/28/165228728.db2.gz PKJXDXDLWAWJEK-KRWDZBQOSA-N 1 0 320.502 3.301 10 0 DGAERO O[C@@H](C[N@@H+](Cc1ccco1)C[C@H]1CCCO1)C1CCCCC1 ZINC000191314666 165241996 /nfs/dbraw/zinc/24/19/96/165241996.db2.gz PYRKUEPLMGROJM-MSOLQXFVSA-N 1 0 307.434 3.202 10 0 DGAERO Cc1cccc2c1OCC[C@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000191451164 165250668 /nfs/dbraw/zinc/25/06/68/165250668.db2.gz JIUZTGYPBQPNIT-QGZVFWFLSA-N 1 0 316.445 3.055 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000191538189 165257502 /nfs/dbraw/zinc/25/75/02/165257502.db2.gz NVSGPBYBVCFERQ-MRXNPFEDSA-N 1 0 315.461 3.095 10 0 DGAERO COc1cccc(-c2noc([C@@H](C)[NH2+][C@@H]3CCCSC3)n2)c1 ZINC000191563639 165258956 /nfs/dbraw/zinc/25/89/56/165258956.db2.gz AWLXZKJQSHWSNZ-DGCLKSJQSA-N 1 0 319.430 3.291 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000191582384 165259511 /nfs/dbraw/zinc/25/95/11/165259511.db2.gz UJIWSIAZMXERGV-SFHVURJKSA-N 1 0 315.461 3.190 10 0 DGAERO Cc1ccc2[nH]c([C@H]3CCCN(CC[NH2+]C(C)C)C3)nc2c1 ZINC000191602977 165260526 /nfs/dbraw/zinc/26/05/26/165260526.db2.gz FTGFIZHODPFRAF-HNNXBMFYSA-N 1 0 300.450 3.049 10 0 DGAERO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191659648 165262557 /nfs/dbraw/zinc/26/25/57/165262557.db2.gz ZMIBRKKYRYOEBS-CYBMUJFWSA-N 1 0 303.372 3.447 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000191621098 165262689 /nfs/dbraw/zinc/26/26/89/165262689.db2.gz PXJBVLNJXQLQIP-KBXCAEBGSA-N 1 0 315.461 3.188 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCO[C@@H]1C)c1ccccc1 ZINC000191685035 165264960 /nfs/dbraw/zinc/26/49/60/165264960.db2.gz HLPVIAVEAGRRRU-BPQIPLTHSA-N 1 0 318.461 3.001 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3cc(C)ccc3F)CC2)[nH]1 ZINC000191694493 165265032 /nfs/dbraw/zinc/26/50/32/165265032.db2.gz KSYJSDZXUNQJML-UHFFFAOYSA-N 1 0 302.397 3.194 10 0 DGAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+]CC=C(C)C)C2)c1 ZINC000192324776 165289139 /nfs/dbraw/zinc/28/91/39/165289139.db2.gz TVBNTBUVRDFCHH-OAHLLOKOSA-N 1 0 304.434 3.086 10 0 DGAERO Cc1csc2c1ncnc2N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000192628291 165300566 /nfs/dbraw/zinc/30/05/66/165300566.db2.gz OLLGYYWEIKFTMH-CQSZACIVSA-N 1 0 316.474 3.312 10 0 DGAERO COc1cccc(C[NH+]2CCC(Cc3nccn3C)CC2)c1F ZINC000192951282 165312365 /nfs/dbraw/zinc/31/23/65/165312365.db2.gz SRDWIQSIDPVONJ-UHFFFAOYSA-N 1 0 317.408 3.023 10 0 DGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193109142 165318770 /nfs/dbraw/zinc/31/87/70/165318770.db2.gz HCEMCRLRDKXPIO-GOEBONIOSA-N 1 0 312.394 3.151 10 0 DGAERO O=C1CCCN1CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000193482078 165327080 /nfs/dbraw/zinc/32/70/80/165327080.db2.gz HKSJYEGJYLGNFN-KRWDZBQOSA-N 1 0 306.837 3.393 10 0 DGAERO C=Cn1cc(CN2CCC[C@@H]2c2cc(OC)ccc2OC)cn1 ZINC000193634475 165329020 /nfs/dbraw/zinc/32/90/20/165329020.db2.gz DYXCBPZHEWHDJU-QGZVFWFLSA-N 1 0 313.401 3.338 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)N[C@H]2COc3ccccc32)c1 ZINC000194634052 165350297 /nfs/dbraw/zinc/35/02/97/165350297.db2.gz QJQAJKUFUJXNSL-INIZCTEOSA-N 1 0 311.385 3.003 10 0 DGAERO C[C@H](C[NH+]1CCC(c2nc(N(C)C)no2)CC1)c1ccccc1 ZINC000194752431 165354395 /nfs/dbraw/zinc/35/43/95/165354395.db2.gz JEHDQEWWOSJGRD-CQSZACIVSA-N 1 0 314.433 3.119 10 0 DGAERO Cc1oc(-c2cccs2)nc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000195339326 165366851 /nfs/dbraw/zinc/36/68/51/165366851.db2.gz KYJCVVHALDKCSD-UHFFFAOYSA-N 1 0 317.458 3.382 10 0 DGAERO CCn1cc(C2CC[NH+](CCOc3cccc(F)c3)CC2)cn1 ZINC000195501339 165371865 /nfs/dbraw/zinc/37/18/65/165371865.db2.gz WSWXAZHJJPRSLY-UHFFFAOYSA-N 1 0 317.408 3.301 10 0 DGAERO Cn1nccc1C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000195503890 165372009 /nfs/dbraw/zinc/37/20/09/165372009.db2.gz ARPAOGPLFXCOMH-UHFFFAOYSA-N 1 0 321.371 3.401 10 0 DGAERO COc1ccc(OCCC[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195505947 165372256 /nfs/dbraw/zinc/37/22/56/165372256.db2.gz RUVHXOMRLMWMKA-UHFFFAOYSA-N 1 0 315.417 3.067 10 0 DGAERO CCn1cc(C2CC[NH+](CCOc3ccc(F)cc3)CC2)cn1 ZINC000195500442 165372421 /nfs/dbraw/zinc/37/24/21/165372421.db2.gz BKGUUGNXYJKZPJ-UHFFFAOYSA-N 1 0 317.408 3.301 10 0 DGAERO OCC[N@H+](CCOc1c(Cl)cccc1Cl)C1CCC1 ZINC000221160458 165380213 /nfs/dbraw/zinc/38/02/13/165380213.db2.gz ZFYXYYKZLRYLHN-UHFFFAOYSA-N 1 0 304.217 3.219 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)c1ncc(Br)cc1Cl ZINC000232736113 165403108 /nfs/dbraw/zinc/40/31/08/165403108.db2.gz SLPHCCXADBFZGR-LLVKDONJSA-N 1 0 320.662 3.307 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2nccs2)[C@H]1c1cccs1 ZINC000365232620 287111823 /nfs/dbraw/zinc/11/18/23/287111823.db2.gz OUCTXOLXAUMYCN-YPMHNXCESA-N 1 0 321.471 3.018 10 0 DGAERO CCc1noc([C@H](C)N2CC[NH+](C[C@@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000245595808 165469448 /nfs/dbraw/zinc/46/94/48/165469448.db2.gz IMAAOKBYLQOBLV-OWCLPIDISA-N 1 0 320.481 3.137 10 0 DGAERO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245854839 165486462 /nfs/dbraw/zinc/48/64/62/165486462.db2.gz GWYGAOKDUGXUDQ-QFACEVIFSA-N 1 0 315.457 3.436 10 0 DGAERO CCc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1F ZINC000246856428 165544539 /nfs/dbraw/zinc/54/45/39/165544539.db2.gz SHIXWOADFFAWRX-IUODEOHRSA-N 1 0 305.397 3.089 10 0 DGAERO CC(C)Oc1ccccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247348175 165578952 /nfs/dbraw/zinc/57/89/52/165578952.db2.gz XXVBTAGZSWWZQA-NVXWUHKLSA-N 1 0 307.459 3.180 10 0 DGAERO C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)ns2)[C@@H](C[NH3+])C1 ZINC000261632381 165725902 /nfs/dbraw/zinc/72/59/02/165725902.db2.gz ACCQSKMHKRJWDC-TZMCWYRMSA-N 1 0 315.442 3.010 10 0 DGAERO Cc1c2cc(F)ccc2oc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261665441 165730943 /nfs/dbraw/zinc/73/09/43/165730943.db2.gz GNKDGGMXXSMEIO-PBWFPOADSA-N 1 0 316.376 3.235 10 0 DGAERO CC[C@@H](CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(C)cc1 ZINC000261762556 165746098 /nfs/dbraw/zinc/74/60/98/165746098.db2.gz FJFBNNQGLCDSNO-DOTOQJQBSA-N 1 0 302.462 3.465 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc2ccccc2c1 ZINC000261799632 165749564 /nfs/dbraw/zinc/74/95/64/165749564.db2.gz ITMWILDFWHUFAI-CCZBSFLLSA-N 1 0 308.425 3.476 10 0 DGAERO CCCOc1ccc([C@H](C)NC(=O)C[C@@H](C)[NH3+])cc1OCCC ZINC000261853826 165756722 /nfs/dbraw/zinc/75/67/22/165756722.db2.gz PCOOXSFLPAIOOM-KGLIPLIRSA-N 1 0 322.449 3.179 10 0 DGAERO CC1(C)CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000261977469 165773438 /nfs/dbraw/zinc/77/34/38/165773438.db2.gz LWJSYDVMXGTTPH-GFCCVEGCSA-N 1 0 318.314 3.044 10 0 DGAERO CCCN(Cc1sc(C)nc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000262093640 165786829 /nfs/dbraw/zinc/78/68/29/165786829.db2.gz HIIUATLXQBIARV-SNVBAGLBSA-N 1 0 307.385 3.044 10 0 DGAERO CC(C)c1ccc(SCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262164202 165790538 /nfs/dbraw/zinc/79/05/38/165790538.db2.gz YEPRUXVALDIZLB-MRXNPFEDSA-N 1 0 320.502 3.488 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000095089053 287141582 /nfs/dbraw/zinc/14/15/82/287141582.db2.gz HHFBCIXWGMQFIQ-KBPBESRZSA-N 1 0 307.438 3.407 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1 ZINC000262720950 165817240 /nfs/dbraw/zinc/81/72/40/165817240.db2.gz ZRJRLYROJHQMQZ-KRWDZBQOSA-N 1 0 300.406 3.150 10 0 DGAERO Cc1cnc(-c2cccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])c2)o1 ZINC000263194643 165842715 /nfs/dbraw/zinc/84/27/15/165842715.db2.gz IGSUOERLEMXNQG-MAUKXSAKSA-N 1 0 313.401 3.496 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000263209078 165844679 /nfs/dbraw/zinc/84/46/79/165844679.db2.gz KBGIBBRSORLUPG-ZIAGYGMSSA-N 1 0 320.399 3.251 10 0 DGAERO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCC2(C1)CCCCC2 ZINC000365794117 287172589 /nfs/dbraw/zinc/17/25/89/287172589.db2.gz SKFANLNCRGENRP-UHFFFAOYSA-N 1 0 319.493 3.227 10 0 DGAERO CCOC(=O)CCCCN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128916109 196004132 /nfs/dbraw/zinc/00/41/32/196004132.db2.gz DNGCURMBXMFWHY-QGZVFWFLSA-N 1 0 323.408 3.241 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000246647883 432152358 /nfs/dbraw/zinc/15/23/58/432152358.db2.gz JZXMKPDQMOQZIM-CKEIUWERSA-N 1 0 301.434 3.018 10 0 DGAERO Clc1cccc(-c2nc(CN3CC[N@@H+]4CCC[C@H]4C3)co2)c1 ZINC000246684957 432153074 /nfs/dbraw/zinc/15/30/74/432153074.db2.gz CPFYYFGLXPQKJZ-INIZCTEOSA-N 1 0 317.820 3.275 10 0 DGAERO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(Cl)cc1F ZINC000246637019 432150529 /nfs/dbraw/zinc/15/05/29/432150529.db2.gz WMEABIKXSLJMCP-ABAIWWIYSA-N 1 0 312.816 3.200 10 0 DGAERO O[C@@H](Cc1ccccc1)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614695 432151088 /nfs/dbraw/zinc/15/10/88/432151088.db2.gz AODPKMYVGYVHRC-INIZCTEOSA-N 1 0 306.409 3.130 10 0 DGAERO CCCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCc2ccccc2C1 ZINC000246729368 432159376 /nfs/dbraw/zinc/15/93/76/432159376.db2.gz YEICWHMURJJFDJ-QRVBRYPASA-N 1 0 314.473 3.300 10 0 DGAERO C[C@@H]1CN([C@H](C[NH2+]C[C@@H]2CC=CCC2)c2cccs2)CCO1 ZINC000246738470 432160898 /nfs/dbraw/zinc/16/08/98/432160898.db2.gz PGQATHMXJLUYNT-BRWVUGGUSA-N 1 0 320.502 3.456 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1c(F)cccc1F ZINC000136707227 432161441 /nfs/dbraw/zinc/16/14/41/432161441.db2.gz IISCFCYNJZEBFW-VXGBXAGGSA-N 1 0 309.360 3.055 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000171644011 432153581 /nfs/dbraw/zinc/15/35/81/432153581.db2.gz MARQIQIXQSZSNC-INIZCTEOSA-N 1 0 312.461 3.499 10 0 DGAERO COc1c(C[NH2+]C[C@H](Cc2ccccc2)C(C)C)c(C)nn1C ZINC000190410523 432153835 /nfs/dbraw/zinc/15/38/35/432153835.db2.gz BIQWEORGZYEFRO-KRWDZBQOSA-N 1 0 315.461 3.342 10 0 DGAERO C[C@H](C[N@H+](C)[C@H](C)c1ccc(Cl)cc1)CS(C)(=O)=O ZINC000246697682 432154754 /nfs/dbraw/zinc/15/47/54/432154754.db2.gz ZAXVRRXWDUEFQI-VXGBXAGGSA-N 1 0 303.855 3.014 10 0 DGAERO O=C(N[C@@H]1CCCc2sccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000136515208 432156029 /nfs/dbraw/zinc/15/60/29/432156029.db2.gz PTVMSBOQEMUAJY-UKRRQHHQSA-N 1 0 319.474 3.005 10 0 DGAERO CCOc1cc(C[N@H+](C)C[C@H](C)OC)ccc1OC(F)F ZINC000182053495 432156507 /nfs/dbraw/zinc/15/65/07/432156507.db2.gz XCRHHZQMCHDYFT-NSHDSACASA-N 1 0 303.349 3.153 10 0 DGAERO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1 ZINC000182093958 432158701 /nfs/dbraw/zinc/15/87/01/432158701.db2.gz AJGBFGGJPPAUKA-KDOFPFPSSA-N 1 0 306.450 3.483 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCc3ccc(C)cc3)[C@H]2C1 ZINC000182254275 432171226 /nfs/dbraw/zinc/17/12/26/432171226.db2.gz RFNVLKONWTWVBH-QYZOEREBSA-N 1 0 303.446 3.196 10 0 DGAERO CC(C)[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1 ZINC000182147732 432162436 /nfs/dbraw/zinc/16/24/36/432162436.db2.gz XJYZYEQUHUVJIZ-SJKOYZFVSA-N 1 0 308.372 3.015 10 0 DGAERO CCc1ccc(CNC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000171728213 432165123 /nfs/dbraw/zinc/16/51/23/432165123.db2.gz KEARJAXOBLMKGT-INIZCTEOSA-N 1 0 312.417 3.409 10 0 DGAERO Cc1cc2cc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2[nH]1 ZINC000246807427 432167227 /nfs/dbraw/zinc/16/72/27/432167227.db2.gz LDDRIBUDQBFGPL-XJKSGUPXSA-N 1 0 314.433 3.423 10 0 DGAERO c1ccc(COCCCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000182245425 432169939 /nfs/dbraw/zinc/16/99/39/432169939.db2.gz PBFPVTZCWRMJMJ-UHFFFAOYSA-N 1 0 302.462 3.154 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246832232 432170772 /nfs/dbraw/zinc/17/07/72/432170772.db2.gz DVAWSIDJVGHCCS-HLLBOEOZSA-N 1 0 303.450 3.084 10 0 DGAERO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246870216 432176720 /nfs/dbraw/zinc/17/67/20/432176720.db2.gz NYUBXWONVJXXPF-IIDMSEBBSA-N 1 0 318.436 3.090 10 0 DGAERO C[C@@H]1CC[C@H](CN2CCc3cccc(Br)c3C2)O1 ZINC000190582026 432173278 /nfs/dbraw/zinc/17/32/78/432173278.db2.gz RJRONTDDDYFJGO-DGCLKSJQSA-N 1 0 310.235 3.375 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CN(C)C)c2ccccc2)C12CCC2 ZINC000246866286 432174482 /nfs/dbraw/zinc/17/44/82/432174482.db2.gz KVAFJYMIBGSYEJ-FGTMMUONSA-N 1 0 302.462 3.227 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c(C)c1 ZINC000246862897 432175091 /nfs/dbraw/zinc/17/50/91/432175091.db2.gz FBHXFCQOQVIRBG-IRXDYDNUSA-N 1 0 315.413 3.473 10 0 DGAERO CCc1csc([C@H]2CCC[N@H+](Cc3cccc(OC)n3)C2)n1 ZINC000171826885 432175928 /nfs/dbraw/zinc/17/59/28/432175928.db2.gz XELHYZSCBLPDDM-ZDUSSCGKSA-N 1 0 317.458 3.489 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000246965103 432184671 /nfs/dbraw/zinc/18/46/71/432184671.db2.gz XPULXOSCSOMYPJ-RBUKOAKNSA-N 1 0 312.457 3.122 10 0 DGAERO Cc1ccccc1[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000171978852 432187732 /nfs/dbraw/zinc/18/77/32/432187732.db2.gz RASLOAHBIAOROS-AEFFLSMTSA-N 1 0 315.461 3.182 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)NCc1cccc(COC)c1 ZINC000150740720 432187966 /nfs/dbraw/zinc/18/79/66/432187966.db2.gz MMQUYCXSOKLMJQ-SFHVURJKSA-N 1 0 318.461 3.104 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1F ZINC000247012047 432189738 /nfs/dbraw/zinc/18/97/38/432189738.db2.gz HEAKTVTZPHVLMY-JKIFEVAISA-N 1 0 321.440 3.223 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)c1ccccc1 ZINC000247025824 432191708 /nfs/dbraw/zinc/19/17/08/432191708.db2.gz SZBLCXNBQLZFBB-ROUUACIJSA-N 1 0 314.473 3.440 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(Cl)cc1 ZINC000246942935 432182609 /nfs/dbraw/zinc/18/26/09/432182609.db2.gz AOLNYQLIKYCSLU-CVEARBPZSA-N 1 0 321.852 3.108 10 0 DGAERO Cc1ccc([C@H](C)N(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247083729 432199543 /nfs/dbraw/zinc/19/95/43/432199543.db2.gz JHEYPNUKGTZEHC-RYRKJORJSA-N 1 0 317.477 3.426 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)c1ccccc1 ZINC000247025809 432192669 /nfs/dbraw/zinc/19/26/69/432192669.db2.gz SZBLCXNBQLZFBB-MSOLQXFVSA-N 1 0 314.473 3.440 10 0 DGAERO CCc1sc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)cc1C ZINC000247043614 432195260 /nfs/dbraw/zinc/19/52/60/432195260.db2.gz VQIYGNXCVNBKAJ-ZIAGYGMSSA-N 1 0 306.475 3.318 10 0 DGAERO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1CCCC1 ZINC000172220895 432203150 /nfs/dbraw/zinc/20/31/50/432203150.db2.gz RNGBTVCHESOKJU-WMLDXEAASA-N 1 0 303.450 3.167 10 0 DGAERO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)COCc2ccco2)o1 ZINC000130939053 196123940 /nfs/dbraw/zinc/12/39/40/196123940.db2.gz ONGAVZLISFELDS-RDJZCZTQSA-N 1 0 319.401 3.286 10 0 DGAERO CCn1cc(C2CC[NH+](CCN(C)c3ccccc3)CC2)cn1 ZINC000131289979 196156878 /nfs/dbraw/zinc/15/68/78/196156878.db2.gz BUSKQYNIHWXQCV-UHFFFAOYSA-N 1 0 312.461 3.219 10 0 DGAERO CSc1ccc(C)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247243136 432215867 /nfs/dbraw/zinc/21/58/67/432215867.db2.gz NDWOWEYYMMQVLO-ZIAGYGMSSA-N 1 0 304.459 3.026 10 0 DGAERO Cc1ccc2cccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2n1 ZINC000247190101 432208822 /nfs/dbraw/zinc/20/88/22/432208822.db2.gz BKZGCXUSWYFVNV-HOCLYGCPSA-N 1 0 311.429 3.098 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc2ccccc2c1 ZINC000247236847 432215954 /nfs/dbraw/zinc/21/59/54/432215954.db2.gz MVZCIPIVFGJTDS-BEFAXECRSA-N 1 0 308.425 3.077 10 0 DGAERO C[C@H](SCc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247250743 432215963 /nfs/dbraw/zinc/21/59/63/432215963.db2.gz DQUZBJBMJLUNLO-ZOBUZTSGSA-N 1 0 320.502 3.249 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[C@H]1C ZINC000247182211 432209991 /nfs/dbraw/zinc/20/99/91/432209991.db2.gz ZFOXVJSKKCWKPI-BREBYQMCSA-N 1 0 311.223 3.164 10 0 DGAERO C[N@@H+]1CCN(C[C@@H](O)c2ccccc2Cl)C2(CCCCC2)C1 ZINC000247196864 432211256 /nfs/dbraw/zinc/21/12/56/432211256.db2.gz WWVAKEJWWOOHED-QGZVFWFLSA-N 1 0 322.880 3.324 10 0 DGAERO CC1([C@H]2CCC[N@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)OCCO1 ZINC000191017368 432213065 /nfs/dbraw/zinc/21/30/65/432213065.db2.gz YDBFIKNNEOFKFB-IRXDYDNUSA-N 1 0 323.477 3.343 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2cccc(C)c2C)C1 ZINC000247144962 432205370 /nfs/dbraw/zinc/20/53/70/432205370.db2.gz HZGFMNFTGYRNEF-HZPDHXFCSA-N 1 0 303.450 3.148 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000247137815 432205522 /nfs/dbraw/zinc/20/55/22/432205522.db2.gz HOPSARQOOPRADK-PVAVHDDUSA-N 1 0 315.461 3.243 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000172621491 432224951 /nfs/dbraw/zinc/22/49/51/432224951.db2.gz QUZFDIOFMOUACW-OAHLLOKOSA-N 1 0 323.440 3.326 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CCS1 ZINC000131413798 196167285 /nfs/dbraw/zinc/16/72/85/196167285.db2.gz OZTGNOQRHPRZRY-ZDUSSCGKSA-N 1 0 301.415 3.206 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(C)c2)[C@H](C)C1 ZINC000131427168 196167906 /nfs/dbraw/zinc/16/79/06/196167906.db2.gz BZWIVIHCTLRZEA-CZUORRHYSA-N 1 0 308.853 3.451 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOc1ccccc1C(F)(F)F ZINC000191151950 432227635 /nfs/dbraw/zinc/22/76/35/432227635.db2.gz ZSJMGOATURITRO-VXGBXAGGSA-N 1 0 317.351 3.318 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247402614 432228222 /nfs/dbraw/zinc/22/82/22/432228222.db2.gz XNPQYVZBWFKYGC-CABCVRRESA-N 1 0 317.433 3.094 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1nccc(C(F)(F)F)n1 ZINC000131470870 196171315 /nfs/dbraw/zinc/17/13/15/196171315.db2.gz MXMKASVYLUXBGF-LLVKDONJSA-N 1 0 302.344 3.028 10 0 DGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000247269465 432216625 /nfs/dbraw/zinc/21/66/25/432216625.db2.gz ZWDVPTXKRRVVBW-XUVXKRRUSA-N 1 0 309.409 3.321 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000131523949 196176835 /nfs/dbraw/zinc/17/68/35/196176835.db2.gz BUZNPMNEIYZYBM-CQSZACIVSA-N 1 0 321.490 3.068 10 0 DGAERO Cc1ccc2cc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1 ZINC000151130324 432221727 /nfs/dbraw/zinc/22/17/27/432221727.db2.gz GOJKAZJBNWQTMD-PBHICJAKSA-N 1 0 311.429 3.098 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1C ZINC000247316147 432222150 /nfs/dbraw/zinc/22/21/50/432222150.db2.gz MFFDTRXQLIVWFI-PXAZEXFGSA-N 1 0 313.445 3.243 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)SCc2ccccc2)C1 ZINC000247342387 432223725 /nfs/dbraw/zinc/22/37/25/432223725.db2.gz NQHJXINKHTWMGY-VYDXJSESSA-N 1 0 320.502 3.153 10 0 DGAERO c1cn(CC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000131949587 196212515 /nfs/dbraw/zinc/21/25/15/196212515.db2.gz CGGUFTBMBNGWCF-KRWDZBQOSA-N 1 0 321.428 3.153 10 0 DGAERO CSCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000132163760 196231454 /nfs/dbraw/zinc/23/14/54/196231454.db2.gz RSOVZURWSYRNTD-RDJZCZTQSA-N 1 0 320.502 3.251 10 0 DGAERO CCCCNC(=O)C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000132186064 196233371 /nfs/dbraw/zinc/23/33/71/196233371.db2.gz SNPMDXIADNINEU-KRWDZBQOSA-N 1 0 316.489 3.494 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000132690676 196275830 /nfs/dbraw/zinc/27/58/30/196275830.db2.gz SYUOBQJEMLTWKA-AWEZNQCLSA-N 1 0 310.463 3.364 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132717930 196278197 /nfs/dbraw/zinc/27/81/97/196278197.db2.gz UZVVVHRNRHBSRD-KGLIPLIRSA-N 1 0 323.868 3.001 10 0 DGAERO C[C@H](C[N@H+](Cc1ccc(F)cc1)C(C)(C)C)CS(C)(=O)=O ZINC000132814978 196285647 /nfs/dbraw/zinc/28/56/47/196285647.db2.gz INDMOXFUNMNJPO-CYBMUJFWSA-N 1 0 315.454 3.107 10 0 DGAERO CCc1onc(C)c1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000132935318 196298198 /nfs/dbraw/zinc/29/81/98/196298198.db2.gz YHCDLJORZZAMGA-CHWSQXEVSA-N 1 0 321.465 3.032 10 0 DGAERO C[C@@H](C[NH2+]Cc1cccnc1-n1ccnc1)Cc1ccccc1 ZINC000132972985 196301357 /nfs/dbraw/zinc/30/13/57/196301357.db2.gz AZDLPDNOGOJXQP-MRXNPFEDSA-N 1 0 306.413 3.236 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](O)COc1cc(C)cc(C)c1)c1nccs1 ZINC000134237603 196372856 /nfs/dbraw/zinc/37/28/56/196372856.db2.gz FUSOJSXSMIJEGI-GOEBONIOSA-N 1 0 320.458 3.241 10 0 DGAERO c1cnn(-c2ccc(C[NH2+][C@H]3CCOC4(CCCC4)C3)cc2)c1 ZINC000136693809 196547393 /nfs/dbraw/zinc/54/73/93/196547393.db2.gz UZUCFODCXKOBBF-KRWDZBQOSA-N 1 0 311.429 3.454 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)ccc1F ZINC000152571242 227073579 /nfs/dbraw/zinc/07/35/79/227073579.db2.gz IWDGJFFUVQPSRS-SWLSCSKDSA-N 1 0 306.381 3.381 10 0 DGAERO COCCCOC1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000175716117 228304282 /nfs/dbraw/zinc/30/42/82/228304282.db2.gz NHBALLHDBNYEGB-HNNXBMFYSA-N 1 0 307.434 3.274 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177184784 228326525 /nfs/dbraw/zinc/32/65/25/228326525.db2.gz RJXAGAGOWCBAKM-DOTOQJQBSA-N 1 0 300.446 3.059 10 0 DGAERO c1cc(-c2noc(CN3CCS[C@H]4CCCC[C@@H]43)n2)co1 ZINC000177210619 228327424 /nfs/dbraw/zinc/32/74/24/228327424.db2.gz QIKQYGCOPPWURD-STQMWFEESA-N 1 0 305.403 3.190 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)cc1F ZINC000183886900 228377533 /nfs/dbraw/zinc/37/75/33/228377533.db2.gz JFBGIEALIXZZHW-GFCCVEGCSA-N 1 0 301.365 3.086 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)NCCC2=CCCCC2)CC1 ZINC000178554966 228342869 /nfs/dbraw/zinc/34/28/69/228342869.db2.gz BUQYJAWMNBWYDE-UHFFFAOYSA-N 1 0 307.482 3.297 10 0 DGAERO C[C@@H](Cc1cccs1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178623005 228344123 /nfs/dbraw/zinc/34/41/23/228344123.db2.gz QYCMAAYSPBTIGO-NFOMZHRRSA-N 1 0 323.506 3.099 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cc(Br)ccc1F ZINC000178650935 228344653 /nfs/dbraw/zinc/34/46/53/228344653.db2.gz AMWUWICDUUWEHL-JQWIXIFHSA-N 1 0 315.230 3.333 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1F ZINC000181335646 228361890 /nfs/dbraw/zinc/36/18/90/228361890.db2.gz ZIKHNUWTSSSVHJ-VNHYZAJKSA-N 1 0 306.425 3.289 10 0 DGAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1(CCO)CC1 ZINC000188062541 228449182 /nfs/dbraw/zinc/44/91/82/228449182.db2.gz PLEZNANWDMHVNH-LBPRGKRZSA-N 1 0 317.458 3.327 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)CCc2cccc(F)c2F)CC1 ZINC000130531234 292636342 /nfs/dbraw/zinc/63/63/42/292636342.db2.gz BCMWYUGUTPYOFO-UHFFFAOYSA-N 1 0 324.415 3.134 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccnc(C2CC2)n1 ZINC000302157660 230131707 /nfs/dbraw/zinc/13/17/07/230131707.db2.gz FWSSCPYCRYTNJR-WMLDXEAASA-N 1 0 308.429 3.286 10 0 DGAERO Cc1noc(-c2cccnc2N[C@H](C)C[NH+]2CCCCCC2)n1 ZINC000302476447 230260504 /nfs/dbraw/zinc/26/05/04/230260504.db2.gz XKLGWEKSJQNAAQ-CYBMUJFWSA-N 1 0 315.421 3.116 10 0 DGAERO CC[NH+](CC)CC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000184334280 263609772 /nfs/dbraw/zinc/60/97/72/263609772.db2.gz QCOLTBZPEDZNFR-CYBMUJFWSA-N 1 0 324.293 3.026 10 0 DGAERO COc1ccccc1/C=C/C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000188969555 263706335 /nfs/dbraw/zinc/70/63/35/263706335.db2.gz IJIVIZXSSLLNAY-XZXOBPBMSA-N 1 0 311.425 3.210 10 0 DGAERO CSCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000195400418 263831004 /nfs/dbraw/zinc/83/10/04/263831004.db2.gz QYEZHNMDAVJXHS-INIZCTEOSA-N 1 0 306.475 3.001 10 0 DGAERO Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)no1 ZINC000347094341 264155437 /nfs/dbraw/zinc/15/54/37/264155437.db2.gz JNCRXWJJQIUZOY-JLYLLQBASA-N 1 0 311.429 3.268 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1CCCCO1 ZINC000347486533 264228440 /nfs/dbraw/zinc/22/84/40/264228440.db2.gz PGBCNTQRWBMGGZ-SFHVURJKSA-N 1 0 304.478 3.446 10 0 DGAERO c1ccc(COCCC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000347489551 264228578 /nfs/dbraw/zinc/22/85/78/264228578.db2.gz SFZODQFDDHKIIE-MOPGFXCFSA-N 1 0 303.446 3.342 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOCc1ccccc1 ZINC000347498443 264230589 /nfs/dbraw/zinc/23/05/89/264230589.db2.gz UYMPEYLAJWMEOI-RBUKOAKNSA-N 1 0 302.462 3.152 10 0 DGAERO c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000347499963 264230915 /nfs/dbraw/zinc/23/09/15/264230915.db2.gz VTIKMJOYLMSMKR-IRXDYDNUSA-N 1 0 313.445 3.460 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000348204695 264364403 /nfs/dbraw/zinc/36/44/03/264364403.db2.gz HUYQCNMYRHDBFS-SFHVURJKSA-N 1 0 314.473 3.483 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CSC2(C)C)c(Br)c1 ZINC000352868981 265208205 /nfs/dbraw/zinc/20/82/05/265208205.db2.gz VRZJEPNJQHDDJS-LBPRGKRZSA-N 1 0 316.264 3.441 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc2c1COC2 ZINC000353273650 265370314 /nfs/dbraw/zinc/37/03/14/265370314.db2.gz HONKDNLLMZEJNN-BHIYHBOVSA-N 1 0 301.430 3.402 10 0 DGAERO c1cn2cc(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)nc2s1 ZINC000353339578 265394944 /nfs/dbraw/zinc/39/49/44/265394944.db2.gz UGKQYFRQZCSMBI-VHDGCEQUSA-N 1 0 305.447 3.081 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC[N@@H+]1C ZINC000247440074 432230398 /nfs/dbraw/zinc/23/03/98/432230398.db2.gz PIMHNDGIUIYXJH-OEYIWLLWSA-N 1 0 322.399 3.009 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000247466778 432231475 /nfs/dbraw/zinc/23/14/75/432231475.db2.gz RNXBRAPDWCLDCQ-YUELXQCFSA-N 1 0 322.399 3.059 10 0 DGAERO Cc1c([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)cnn1C(C)(C)C ZINC000191196017 432232044 /nfs/dbraw/zinc/23/20/44/432232044.db2.gz UXTQAOMXHINMCR-SJCJKPOMSA-N 1 0 319.424 3.470 10 0 DGAERO c1c(C2CC2)nn2ccnc(NC3CC([NH+]4CCCCC4)C3)c12 ZINC000631256623 424832713 /nfs/dbraw/zinc/83/27/13/424832713.db2.gz GXDINFDFWPNCDL-UHFFFAOYSA-N 1 0 311.433 3.036 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191196194 432232288 /nfs/dbraw/zinc/23/22/88/432232288.db2.gz RLZVQESZIORCLD-DYVFJYSZSA-N 1 0 317.433 3.165 10 0 DGAERO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000355207616 266000493 /nfs/dbraw/zinc/00/04/93/266000493.db2.gz FSIVZXCZLQJXAV-KGLIPLIRSA-N 1 0 317.458 3.387 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)cc2)cn1 ZINC000355244097 266014572 /nfs/dbraw/zinc/01/45/72/266014572.db2.gz XWIMOGFRDOOXDQ-ROUUACIJSA-N 1 0 311.429 3.121 10 0 DGAERO c1c(C2CC2)nn2ccnc(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)c12 ZINC000631338520 424833673 /nfs/dbraw/zinc/83/36/73/424833673.db2.gz LRVBIBPVHPYTMB-GOEBONIOSA-N 1 0 311.433 3.036 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000356436283 266390786 /nfs/dbraw/zinc/39/07/86/266390786.db2.gz XZRJBHZWHDEFEV-JQVXPOPVSA-N 1 0 309.356 3.148 10 0 DGAERO C[C@H](C(=O)NC[C@H]1C[C@H]1c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247476659 432234485 /nfs/dbraw/zinc/23/44/85/432234485.db2.gz IIVMKHHMHNNZIL-SQDXWYPISA-N 1 0 300.446 3.168 10 0 DGAERO C[C@H](C(=O)NC[C@@H]1C[C@H]1c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247476636 432234506 /nfs/dbraw/zinc/23/45/06/432234506.db2.gz IIVMKHHMHNNZIL-DZXRDFMUSA-N 1 0 300.446 3.168 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000247490454 432235099 /nfs/dbraw/zinc/23/50/99/432235099.db2.gz UFVNXKRVZYCVEK-IVMMDQJWSA-N 1 0 322.399 3.059 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151271794 432235299 /nfs/dbraw/zinc/23/52/99/432235299.db2.gz IUWVPHGKAURIBR-HZPDHXFCSA-N 1 0 316.445 3.239 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000247515789 432237886 /nfs/dbraw/zinc/23/78/86/432237886.db2.gz MXKXNPCLUZUVSA-UONOGXRCSA-N 1 0 318.383 3.218 10 0 DGAERO Cc1cc(C)c([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000151341586 432238931 /nfs/dbraw/zinc/23/89/31/432238931.db2.gz JPHCUAOTOTYYSG-ROUUACIJSA-N 1 0 304.478 3.109 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1Cl ZINC000247533160 432239298 /nfs/dbraw/zinc/23/92/98/432239298.db2.gz XSYQCCPVZFEHCN-JQWIXIFHSA-N 1 0 313.228 3.302 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000247548221 432239571 /nfs/dbraw/zinc/23/95/71/432239571.db2.gz RXJMTKIUQZGKNN-CVEARBPZSA-N 1 0 319.449 3.247 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000247541785 432240023 /nfs/dbraw/zinc/24/00/23/432240023.db2.gz YMKIVKWHPFUWNN-YOEHRIQHSA-N 1 0 300.446 3.293 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC[N@@H+]1C ZINC000247565468 432242014 /nfs/dbraw/zinc/24/20/14/432242014.db2.gz ZYRDHLRQKYJJSX-AAVRWANBSA-N 1 0 322.399 3.009 10 0 DGAERO CCc1cnccc1C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000182929611 432243079 /nfs/dbraw/zinc/24/30/79/432243079.db2.gz NUNUKXLFVHBXRH-KRWDZBQOSA-N 1 0 321.424 3.269 10 0 DGAERO CC(C)[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000172921064 432245819 /nfs/dbraw/zinc/24/58/19/432245819.db2.gz KMNUQYHKUPUUPQ-GOSISDBHSA-N 1 0 300.446 3.123 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](O)COCC(C)C)CCCO2 ZINC000151437957 432245373 /nfs/dbraw/zinc/24/53/73/432245373.db2.gz RWLMXXSSKQHUSW-WMZOPIPTSA-N 1 0 321.461 3.140 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)cc1F ZINC000247694509 432247486 /nfs/dbraw/zinc/24/74/86/432247486.db2.gz WLMDJQLOUXQVNM-STQMWFEESA-N 1 0 309.360 3.055 10 0 DGAERO C[C@H](c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247708832 432247924 /nfs/dbraw/zinc/24/79/24/432247924.db2.gz ZQKRRYUTOVKRDW-QAPCUYQASA-N 1 0 306.425 3.073 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000247728355 432248521 /nfs/dbraw/zinc/24/85/21/432248521.db2.gz TZUVAWMEVMFJGL-QLFBSQMISA-N 1 0 322.399 3.059 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NCC1CC[NH+](C)CC1 ZINC000172970742 432249368 /nfs/dbraw/zinc/24/93/68/432249368.db2.gz IJQKSOCYYWMPDK-UHFFFAOYSA-N 1 0 321.490 3.181 10 0 DGAERO C[NH+]1CCC(CC(=O)NCc2csc3ccccc23)CC1 ZINC000362476460 271024936 /nfs/dbraw/zinc/02/49/36/271024936.db2.gz KEVXKQVAWLCMTN-UHFFFAOYSA-N 1 0 302.443 3.249 10 0 DGAERO O=C(c1cc(O)c2ccccc2c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000369099925 271240819 /nfs/dbraw/zinc/24/08/19/271240819.db2.gz LBHKIANHASTGHX-KRWDZBQOSA-N 1 0 324.424 3.246 10 0 DGAERO Cc1noc(C)c1CO[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC000369217461 271251675 /nfs/dbraw/zinc/25/16/75/271251675.db2.gz YZYCTCHLVPOUBQ-KRWDZBQOSA-N 1 0 322.449 3.089 10 0 DGAERO CCCCc1noc([C@H](C)[N@@H+]2CCCC3(CCOCC3)C2)n1 ZINC000369373949 271269788 /nfs/dbraw/zinc/26/97/88/271269788.db2.gz GOXLLGAWZKMZAP-AWEZNQCLSA-N 1 0 307.438 3.366 10 0 DGAERO CCC(CC)C[N@@H+]1CCC[C@H](N(C)Cc2noc(C)n2)CC1 ZINC000370225597 271345421 /nfs/dbraw/zinc/34/54/21/271345421.db2.gz WFXFCDZCGNYQIZ-INIZCTEOSA-N 1 0 308.470 3.101 10 0 DGAERO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2CC2CCC(C(C)(C)C)CC2)n1 ZINC000370435682 271359676 /nfs/dbraw/zinc/35/96/76/271359676.db2.gz BZUYIXDTCYKPGS-QDIHITRGSA-N 1 0 321.465 3.338 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cccnc1 ZINC000247880332 432251740 /nfs/dbraw/zinc/25/17/40/432251740.db2.gz BOXFTPHMXQWYPQ-TXPKVOOTSA-N 1 0 310.445 3.038 10 0 DGAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC000247944223 432253986 /nfs/dbraw/zinc/25/39/86/432253986.db2.gz GYHCYACKEKEKCU-VQIMIIECSA-N 1 0 301.478 3.462 10 0 DGAERO CC1(C)C[C@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000178194480 273589650 /nfs/dbraw/zinc/58/96/50/273589650.db2.gz CVLIVIVFTZUVRY-YJBOKZPZSA-N 1 0 322.456 3.458 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1nc3cc(F)ccc3o1)CC2 ZINC000247968930 432256773 /nfs/dbraw/zinc/25/67/73/432256773.db2.gz HBIIFUOJWMYJAO-YVEFUNNKSA-N 1 0 304.365 3.094 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(OC)ccc1Cl ZINC000064561067 273641483 /nfs/dbraw/zinc/64/14/83/273641483.db2.gz RGGKIGPNGOUBAC-LLVKDONJSA-N 1 0 313.829 3.200 10 0 DGAERO CCO[C@H](C[NH2+]Cc1cnc2nc(C)cc(C)n12)c1ccccc1 ZINC000194471251 273706185 /nfs/dbraw/zinc/70/61/85/273706185.db2.gz KUXXFOVFPIKSOX-GOSISDBHSA-N 1 0 324.428 3.214 10 0 DGAERO C[NH+](C)[C@@H]1CCN(c2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000124595892 273808535 /nfs/dbraw/zinc/80/85/35/273808535.db2.gz KLTVJPJQXVEYBE-GFCCVEGCSA-N 1 0 309.335 3.394 10 0 DGAERO Cc1cc(F)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247977739 432258060 /nfs/dbraw/zinc/25/80/60/432258060.db2.gz GSFSAQRCNCOEBB-ROUUACIJSA-N 1 0 312.388 3.309 10 0 DGAERO COc1c(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c(C)nn1C ZINC000245722136 274089805 /nfs/dbraw/zinc/08/98/05/274089805.db2.gz IBOUZUQAJBWFMF-WMLDXEAASA-N 1 0 313.445 3.363 10 0 DGAERO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)C1CCSCC1 ZINC000187006018 274244450 /nfs/dbraw/zinc/24/44/50/274244450.db2.gz LDAVHHFHLCICSV-CQSZACIVSA-N 1 0 305.491 3.172 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1F ZINC000192813625 274261639 /nfs/dbraw/zinc/26/16/39/274261639.db2.gz BGLGLWFRXNSPNX-OCCSQVGLSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)[C@@H](C[NH3+])C1 ZINC000262551259 274299518 /nfs/dbraw/zinc/29/95/18/274299518.db2.gz SLZVDOYQPYHODQ-MWLCHTKSSA-N 1 0 318.314 3.044 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000191693175 274379866 /nfs/dbraw/zinc/37/98/66/274379866.db2.gz KEMCQTSGZMAMRO-WKPIXPDZSA-N 1 0 310.235 3.451 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1 ZINC000105872228 274522839 /nfs/dbraw/zinc/52/28/39/274522839.db2.gz LQWZWPPHVGCMNQ-GXSJLCMTSA-N 1 0 311.216 3.251 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000151601185 432259245 /nfs/dbraw/zinc/25/92/45/432259245.db2.gz PFIPTKYPEMBPAQ-OKZBNKHCSA-N 1 0 300.446 3.076 10 0 DGAERO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000170946129 275006769 /nfs/dbraw/zinc/00/67/69/275006769.db2.gz PXBOKMSVMKRBBN-DLBZAZTESA-N 1 0 318.848 3.140 10 0 DGAERO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCc2c1cccc2Cl ZINC000237892983 275007017 /nfs/dbraw/zinc/00/70/17/275007017.db2.gz OMONVCUDSRPVBZ-UGFHNGPFSA-N 1 0 304.821 3.150 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CC1=CCOCC1 ZINC000453301125 275063305 /nfs/dbraw/zinc/06/33/05/275063305.db2.gz YHWCUDRAWRFTEV-GOSISDBHSA-N 1 0 309.413 3.186 10 0 DGAERO c1ccc(N2CC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000271942963 275067876 /nfs/dbraw/zinc/06/78/76/275067876.db2.gz PCGGLOWQLLCQED-AITUJVMLSA-N 1 0 312.457 3.203 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@H]3CCc4ccccc4OC3)C2)cc1 ZINC000493914637 275067939 /nfs/dbraw/zinc/06/79/39/275067939.db2.gz AUTPISRPTNZSQS-MJGOQNOKSA-N 1 0 322.452 3.496 10 0 DGAERO Brc1cccc2c1CC[C@@H]2[NH2+]Cc1cncnc1 ZINC000105491699 275374013 /nfs/dbraw/zinc/37/40/13/275374013.db2.gz HTVRMUQRJRHSMP-AWEZNQCLSA-N 1 0 304.191 3.016 10 0 DGAERO Brc1cccc2c1OCC[C@@H]2[NH2+]C[C@H]1CCCO1 ZINC000337368769 275375178 /nfs/dbraw/zinc/37/51/78/275375178.db2.gz NTGHGVOFLFFHJM-MFKMUULPSA-N 1 0 312.207 3.041 10 0 DGAERO CC[NH+]1CCC(CNc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000519127124 429448208 /nfs/dbraw/zinc/44/82/08/429448208.db2.gz QMGYTXJUQMCFFT-UHFFFAOYSA-N 1 0 300.406 3.189 10 0 DGAERO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCCC[C@@H]1C ZINC000444683290 276086314 /nfs/dbraw/zinc/08/63/14/276086314.db2.gz XSEZUCPUDYZPSR-DZGCQCFKSA-N 1 0 318.417 3.254 10 0 DGAERO CC1(C)CCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000171096177 276105626 /nfs/dbraw/zinc/10/56/26/276105626.db2.gz IYVSFTYDEUDRLW-AWEZNQCLSA-N 1 0 321.490 3.469 10 0 DGAERO CCN(Cc1nnc(C)o1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000069898696 276144686 /nfs/dbraw/zinc/14/46/86/276144686.db2.gz UDQZIDVERVSCML-WMLDXEAASA-N 1 0 314.433 3.035 10 0 DGAERO CC1(C)OCc2cc(CN3CCC[N@@H+](C4CC4)CC3)ccc2O1 ZINC000186319140 276157030 /nfs/dbraw/zinc/15/70/30/276157030.db2.gz CKWRRXDHKQLRJR-UHFFFAOYSA-N 1 0 316.445 3.002 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1sc(C)nc1C(F)(F)F ZINC000183594775 276169732 /nfs/dbraw/zinc/16/97/32/276169732.db2.gz QRDVZUGWTBCKJH-LLVKDONJSA-N 1 0 321.412 3.386 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC(C)(C)c3ccccc31)CC2 ZINC000180616569 276703594 /nfs/dbraw/zinc/70/35/94/276703594.db2.gz YNBBMTABJYDMTC-CZUORRHYSA-N 1 0 310.445 3.168 10 0 DGAERO CN(C)C(=O)C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000130300716 276749485 /nfs/dbraw/zinc/74/94/85/276749485.db2.gz PJXSQLRCNOMBDQ-KRWDZBQOSA-N 1 0 304.409 3.003 10 0 DGAERO C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1nc(C2CCCC2)no1 ZINC000429716120 276815703 /nfs/dbraw/zinc/81/57/03/276815703.db2.gz JVEDEIQHXPWJLM-NUEKZKHPSA-N 1 0 317.433 3.165 10 0 DGAERO C[N@@H+]1CCN(C(=O)c2cccc3ncccc32)C2(CCCCC2)C1 ZINC000176242046 277099259 /nfs/dbraw/zinc/09/92/59/277099259.db2.gz JAEBOYKWLNLCRN-UHFFFAOYSA-N 1 0 323.440 3.325 10 0 DGAERO CC(C)(C[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21)C(N)=O ZINC000183199835 277302918 /nfs/dbraw/zinc/30/29/18/277302918.db2.gz TWFQTRBTTDNFJW-OAHLLOKOSA-N 1 0 316.445 3.314 10 0 DGAERO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccsc1 ZINC000095883600 277363870 /nfs/dbraw/zinc/36/38/70/277363870.db2.gz DBXUSEYXIHEMLD-HZPDHXFCSA-N 1 0 301.411 3.137 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2ccccc2)c(OC)c1 ZINC000449465876 277386209 /nfs/dbraw/zinc/38/62/09/277386209.db2.gz CJHLUJBBPYDNMN-AWEZNQCLSA-N 1 0 315.413 3.433 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@H]2CSc3ccccc32)CCOCC1 ZINC000453213433 277474163 /nfs/dbraw/zinc/47/41/63/277474163.db2.gz CAAHFRILBIAXTK-KBPBESRZSA-N 1 0 307.459 3.050 10 0 DGAERO COc1cccc(F)c1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186231354 278015371 /nfs/dbraw/zinc/01/53/71/278015371.db2.gz JBARMDHEZMNKPP-CYBMUJFWSA-N 1 0 323.412 3.220 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCSC2)c2ccc(F)cc2C1 ZINC000184526551 278057306 /nfs/dbraw/zinc/05/73/06/278057306.db2.gz XRDLKBUCKWTZHT-RDJZCZTQSA-N 1 0 322.449 3.104 10 0 DGAERO CC1(C)CCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000077509768 278217370 /nfs/dbraw/zinc/21/73/70/278217370.db2.gz DVRHLTQRJJNJGW-AWEZNQCLSA-N 1 0 305.422 3.001 10 0 DGAERO C[C@H]([NH3+])CC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000261929257 278224877 /nfs/dbraw/zinc/22/48/77/278224877.db2.gz YRYJNBOWEWERBA-SUMWQHHRSA-N 1 0 310.397 3.031 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000154618995 278234035 /nfs/dbraw/zinc/23/40/35/278234035.db2.gz CELRXXMGJSNHLT-YESZJQIVSA-N 1 0 324.509 3.256 10 0 DGAERO C[C@@H](CSc1nnc(-c2cccc(Cl)c2)n1C)[NH+](C)C ZINC000479114230 278293981 /nfs/dbraw/zinc/29/39/81/278293981.db2.gz GRSCQUOBZLPSFU-JTQLQIEISA-N 1 0 310.854 3.178 10 0 DGAERO CC(C)(C)C1CCC(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000186927961 278300434 /nfs/dbraw/zinc/30/04/34/278300434.db2.gz IKDMZTWFTVDBLN-DSIITGHMSA-N 1 0 306.494 3.425 10 0 DGAERO CC(C)([NH3+])CN1CCC[C@@H]1c1ccc(Br)s1 ZINC000262044166 278627191 /nfs/dbraw/zinc/62/71/91/278627191.db2.gz YQHMNLOISYUONR-SECBINFHSA-N 1 0 303.269 3.385 10 0 DGAERO Cc1ccc2nc(C)c(C(=O)N3CC[C@@H](C)C[C@@H]3C[NH3+])cc2c1 ZINC000261659449 278899055 /nfs/dbraw/zinc/89/90/55/278899055.db2.gz BYUYGWSGEJPGCJ-CZUORRHYSA-N 1 0 311.429 3.051 10 0 DGAERO Cc1nc2cc(NC(=O)c3ccc(C[NH+](C)C)cc3)ccc2o1 ZINC000068263799 431117560 /nfs/dbraw/zinc/11/75/60/431117560.db2.gz MBSKQQDILQTEGE-UHFFFAOYSA-N 1 0 309.369 3.450 10 0 DGAERO CC(=O)CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000108363229 431135625 /nfs/dbraw/zinc/13/56/25/431135625.db2.gz XIBGAWMSGWVUBL-UHFFFAOYSA-N 1 0 303.381 3.059 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000245954702 279300976 /nfs/dbraw/zinc/30/09/76/279300976.db2.gz QIENNAUCUXVZFA-KFWWJZLASA-N 1 0 306.475 3.103 10 0 DGAERO C[C@H](CNC(=O)N[C@@H]1CCc2cc(Cl)ccc21)[N@H+](C)C1CC1 ZINC000105185760 279337132 /nfs/dbraw/zinc/33/71/32/279337132.db2.gz JIAVXJSZYHOZFU-BDJLRTHQSA-N 1 0 321.852 3.109 10 0 DGAERO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194087229 279371807 /nfs/dbraw/zinc/37/18/07/279371807.db2.gz PMRXHIXKVRBOIV-CNRIWFPOSA-N 1 0 307.459 3.107 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081773 431168656 /nfs/dbraw/zinc/16/86/56/431168656.db2.gz MPIVYNRGGPZOCO-LSDHHAIUSA-N 1 0 322.399 3.057 10 0 DGAERO c1ccc(C[N@@H+]2CCCN(c3ccnc(C4CC4)n3)CC2)cc1 ZINC000110124545 431182056 /nfs/dbraw/zinc/18/20/56/431182056.db2.gz PXJTXRALTIOFCR-UHFFFAOYSA-N 1 0 308.429 3.066 10 0 DGAERO C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000108820602 431157049 /nfs/dbraw/zinc/15/70/49/431157049.db2.gz VJVORXHURWSEJL-WOJBJXKFSA-N 1 0 322.452 3.496 10 0 DGAERO O=C(c1ccc2ccccc2c1O)N1CCC([NH+]2CCCC2)CC1 ZINC000108894929 431160828 /nfs/dbraw/zinc/16/08/28/431160828.db2.gz TYDSCNUCGMBYAE-UHFFFAOYSA-N 1 0 324.424 3.246 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccncc1 ZINC000156759777 279513192 /nfs/dbraw/zinc/51/31/92/279513192.db2.gz DSTAQCPKPJJUQC-GXTWGEPZSA-N 1 0 303.356 3.289 10 0 DGAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccccc1Br ZINC000070086850 431237556 /nfs/dbraw/zinc/23/75/56/431237556.db2.gz XGHRXFISQZXOMN-SNVBAGLBSA-N 1 0 313.239 3.144 10 0 DGAERO CC(C)([NH3+])c1cn(Cc2sc3ccccc3c2Cl)nn1 ZINC000070117903 431239770 /nfs/dbraw/zinc/23/97/70/431239770.db2.gz KLUXVFHAZAPGTJ-UHFFFAOYSA-N 1 0 306.822 3.388 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000112014563 431243636 /nfs/dbraw/zinc/24/36/36/431243636.db2.gz ALYZBZALMPFWFP-MJGOQNOKSA-N 1 0 314.473 3.342 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CCCC1 ZINC000070305125 431249532 /nfs/dbraw/zinc/24/95/32/431249532.db2.gz OFXWXFITUYBKGI-IAQYHMDHSA-N 1 0 311.422 3.213 10 0 DGAERO CCn1cc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cn1 ZINC000112098826 431250709 /nfs/dbraw/zinc/25/07/09/431250709.db2.gz JGXCNDMQYBGUOH-UHFFFAOYSA-N 1 0 314.364 3.029 10 0 DGAERO NC(=O)N1CCC([NH2+][C@H](c2ccccc2)C2CCCC2)CC1 ZINC000164532307 279565119 /nfs/dbraw/zinc/56/51/19/279565119.db2.gz PTTNLSHWXYVOSC-QGZVFWFLSA-N 1 0 301.434 3.051 10 0 DGAERO Cc1ccc(C)c([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c1 ZINC000071790574 431287289 /nfs/dbraw/zinc/28/72/89/431287289.db2.gz LCCDNSAFCFIDII-GDBMZVCRSA-N 1 0 304.434 3.355 10 0 DGAERO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC000071790533 431288052 /nfs/dbraw/zinc/28/80/52/431288052.db2.gz XNWGFNYVKSTZCX-JKSUJKDBSA-N 1 0 320.433 3.137 10 0 DGAERO Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000112697743 431299253 /nfs/dbraw/zinc/29/92/53/431299253.db2.gz GCDNUPIQXQUTNP-KRWDZBQOSA-N 1 0 314.433 3.001 10 0 DGAERO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C2CC2)CC1 ZINC000112339010 431266558 /nfs/dbraw/zinc/26/65/58/431266558.db2.gz DEANRPHGAHULQH-GFCCVEGCSA-N 1 0 309.251 3.290 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000112424007 431273056 /nfs/dbraw/zinc/27/30/56/431273056.db2.gz KQEXNKQYEBDZIM-ZIAGYGMSSA-N 1 0 307.438 3.246 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000113226339 431334403 /nfs/dbraw/zinc/33/44/03/431334403.db2.gz WBULMXDICDNMTQ-CMPLNLGQSA-N 1 0 313.228 3.302 10 0 DGAERO CC[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000113222422 431334998 /nfs/dbraw/zinc/33/49/98/431334998.db2.gz UKMGIOKHXNDHCR-JZXOWHBKSA-N 1 0 300.446 3.265 10 0 DGAERO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c2ccccc12 ZINC000113226432 431336873 /nfs/dbraw/zinc/33/68/73/431336873.db2.gz QAWKSFCTIIMDEA-HUUCEWRRSA-N 1 0 324.424 3.157 10 0 DGAERO C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718830 431347861 /nfs/dbraw/zinc/34/78/61/431347861.db2.gz BCEISUCHFASNSZ-HUUCEWRRSA-N 1 0 320.481 3.236 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000072823740 431350596 /nfs/dbraw/zinc/35/05/96/431350596.db2.gz PNJCJPVTLKIWDD-INIZCTEOSA-N 1 0 312.461 3.102 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000113518024 431351006 /nfs/dbraw/zinc/35/10/06/431351006.db2.gz GEWJQPDOAZUMJW-HKUYNNGSSA-N 1 0 305.462 3.216 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000007817051 431364976 /nfs/dbraw/zinc/36/49/76/431364976.db2.gz TXUKXSDCHICRNT-LJQANCHMSA-N 1 0 308.425 3.208 10 0 DGAERO COCc1ccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)o1 ZINC000113911332 431364841 /nfs/dbraw/zinc/36/48/41/431364841.db2.gz KLZCIWWZBUYHCS-UHFFFAOYSA-N 1 0 302.374 3.048 10 0 DGAERO COc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1C ZINC000007818315 431365283 /nfs/dbraw/zinc/36/52/83/431365283.db2.gz CSIPPSFMPQKDBT-QGZVFWFLSA-N 1 0 312.413 3.036 10 0 DGAERO CC[C@H](NC(=O)NCCC1CC[NH+](CC)CC1)c1nccs1 ZINC000074363954 431415074 /nfs/dbraw/zinc/41/50/74/431415074.db2.gz JXNDENQOIRQAFR-AWEZNQCLSA-N 1 0 324.494 3.015 10 0 DGAERO CN(C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CCC1 ZINC000073722099 431377626 /nfs/dbraw/zinc/37/76/26/431377626.db2.gz AOSIMFMDMCSJTL-UHFFFAOYSA-N 1 0 315.461 3.017 10 0 DGAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114516764 431394880 /nfs/dbraw/zinc/39/48/80/431394880.db2.gz VFCXOMMXUFFLKD-LJQANCHMSA-N 1 0 317.477 3.145 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075314002 431468070 /nfs/dbraw/zinc/46/80/70/431468070.db2.gz FGJCSCLLAKNOFO-XYTVBORESA-N 1 0 315.461 3.371 10 0 DGAERO C[C@H]1CN(CC[NH+]2CCCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000126827705 279857059 /nfs/dbraw/zinc/85/70/59/279857059.db2.gz IQUGJGKQHKVQBZ-MAUKXSAKSA-N 1 0 306.425 3.073 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000116006102 431480017 /nfs/dbraw/zinc/48/00/17/431480017.db2.gz ARYIMGLSEXLPSI-IAGOWNOFSA-N 1 0 300.446 3.185 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116541008 431518654 /nfs/dbraw/zinc/51/86/54/431518654.db2.gz BCNAQRJOYNQDHD-INIZCTEOSA-N 1 0 319.449 3.248 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000116762514 431524903 /nfs/dbraw/zinc/52/49/03/431524903.db2.gz YBYAIIDNMNRHJE-LBPRGKRZSA-N 1 0 305.397 3.076 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)NC[C@H](C)C[NH+]3CCCC3)cc21 ZINC000116730740 431525163 /nfs/dbraw/zinc/52/51/63/431525163.db2.gz CXWLDEDKSQCXTC-LBPRGKRZSA-N 1 0 317.408 3.077 10 0 DGAERO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116249138 431496538 /nfs/dbraw/zinc/49/65/38/431496538.db2.gz NGKLDFWXTRGLIT-LPHOPBHVSA-N 1 0 323.440 3.030 10 0 DGAERO COc1ccccc1-c1nnc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)o1 ZINC000076150309 431532401 /nfs/dbraw/zinc/53/24/01/431532401.db2.gz FWULPWOPWGUOPT-STQMWFEESA-N 1 0 301.390 3.366 10 0 DGAERO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116298777 431504375 /nfs/dbraw/zinc/50/43/75/431504375.db2.gz MOAKKYJFJYWLMB-NVXWUHKLSA-N 1 0 312.413 3.464 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@H]1c1ccco1 ZINC000116422118 431509769 /nfs/dbraw/zinc/50/97/69/431509769.db2.gz KQIJEDBTEVHYGT-OAHLLOKOSA-N 1 0 305.422 3.002 10 0 DGAERO CCc1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000117339490 431558407 /nfs/dbraw/zinc/55/84/07/431558407.db2.gz BBNCPYZDTCTDSX-UHFFFAOYSA-N 1 0 310.445 3.140 10 0 DGAERO CCc1nnc(C[N@@H+]2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)o1 ZINC000076390287 431546407 /nfs/dbraw/zinc/54/64/07/431546407.db2.gz MLTADZHGGJOIJD-GXTWGEPZSA-N 1 0 301.390 3.019 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000076425137 431550491 /nfs/dbraw/zinc/55/04/91/431550491.db2.gz UATUNBAQDKIVMU-YJBOKZPZSA-N 1 0 315.461 3.126 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ncccc3c2)[C@H](C)C1 ZINC000076484130 431552982 /nfs/dbraw/zinc/55/29/82/431552982.db2.gz RLUOJZGEJLIRBV-KDOFPFPSSA-N 1 0 311.429 3.037 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cccc(F)c2F)[C@H](C)C1 ZINC000076478190 431553490 /nfs/dbraw/zinc/55/34/90/431553490.db2.gz DTRMAVVJLXDMSI-CZUORRHYSA-N 1 0 324.415 3.086 10 0 DGAERO CCc1ccc(CCC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000076492189 431554221 /nfs/dbraw/zinc/55/42/21/431554221.db2.gz JVBVCCKCJQKBII-LPHOPBHVSA-N 1 0 316.489 3.370 10 0 DGAERO O=C1CCCN1CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000013727487 431566279 /nfs/dbraw/zinc/56/62/79/431566279.db2.gz GNLIRTPOSYXNDI-UHFFFAOYSA-N 1 0 301.217 3.096 10 0 DGAERO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nnc(C(C)C)n1C ZINC000172930054 280159568 /nfs/dbraw/zinc/15/95/68/280159568.db2.gz WJGDRTWBGSIFAH-INIZCTEOSA-N 1 0 300.450 3.392 10 0 DGAERO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nnnn1C(C)C ZINC000195120707 280218387 /nfs/dbraw/zinc/21/83/87/280218387.db2.gz DBBDBXZTQYYRRU-DLBZAZTESA-N 1 0 313.449 3.412 10 0 DGAERO Cc1c(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cnn1C ZINC000163314158 280227915 /nfs/dbraw/zinc/22/79/15/280227915.db2.gz HDNFNOJQMWSMIU-HNNXBMFYSA-N 1 0 303.381 3.260 10 0 DGAERO CC(C)[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(F)c(F)c1 ZINC000182161394 280325019 /nfs/dbraw/zinc/32/50/19/280325019.db2.gz BLWUSCCEDVRIIU-INIZCTEOSA-N 1 0 313.388 3.041 10 0 DGAERO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H]3CCCSC3)C2=O)c(C)c1 ZINC000189453622 280387965 /nfs/dbraw/zinc/38/79/65/280387965.db2.gz OENFKNBDRQOFLN-CVEARBPZSA-N 1 0 318.486 3.202 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262027965 280407853 /nfs/dbraw/zinc/40/78/53/280407853.db2.gz PCWFUGXBBNUHOQ-WCXIOVBPSA-N 1 0 324.509 3.050 10 0 DGAERO O[C@@H](COc1ccccc1)C[N@H+]1CC=C(c2cccs2)CC1 ZINC000117896693 431583537 /nfs/dbraw/zinc/58/35/37/431583537.db2.gz DZAWYZOQRFHSRG-MRXNPFEDSA-N 1 0 315.438 3.277 10 0 DGAERO CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCCC1(C)C ZINC000077382972 431589491 /nfs/dbraw/zinc/58/94/91/431589491.db2.gz AECOFSDVYBYVMB-UHFFFAOYSA-N 1 0 318.461 3.104 10 0 DGAERO CC(C)COC1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000077394508 431591650 /nfs/dbraw/zinc/59/16/50/431591650.db2.gz BKEYDVUWZTTZJJ-UHFFFAOYSA-N 1 0 322.493 3.130 10 0 DGAERO COc1ccc(-c2cnc(C[N@H+](CCCCO)C3CC3)o2)cc1 ZINC000118844392 431621008 /nfs/dbraw/zinc/62/10/08/431621008.db2.gz WWDYBMLPFXIXSI-UHFFFAOYSA-N 1 0 316.401 3.087 10 0 DGAERO CCc1nnc(C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)n1C ZINC000119056269 431639921 /nfs/dbraw/zinc/63/99/21/431639921.db2.gz QDNHGIRROSEKBH-SJORKVTESA-N 1 0 312.461 3.269 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)NC1CC1 ZINC000078518388 431678195 /nfs/dbraw/zinc/67/81/95/431678195.db2.gz IHRVIPRUJJQCAD-IUCAKERBSA-N 1 0 301.217 3.311 10 0 DGAERO CC[C@@H](c1ccncc1)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000119382844 431685805 /nfs/dbraw/zinc/68/58/05/431685805.db2.gz SBTQCAMJLWRDHS-MOPGFXCFSA-N 1 0 314.429 3.042 10 0 DGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000078691231 431697915 /nfs/dbraw/zinc/69/79/15/431697915.db2.gz XHFMYIOCXFTCFY-RWMBFGLXSA-N 1 0 310.413 3.178 10 0 DGAERO Cc1cc2cc(C[N@@H+]3CCC[C@H](n4cncn4)C3)oc2cc1C ZINC000119518448 431700466 /nfs/dbraw/zinc/70/04/66/431700466.db2.gz VCAIGCKGJLVVHX-INIZCTEOSA-N 1 0 310.401 3.478 10 0 DGAERO [NH3+][C@H](CC(=O)N1CCCC[C@H]1c1nccs1)c1ccccc1 ZINC000119623713 431712424 /nfs/dbraw/zinc/71/24/24/431712424.db2.gz GKUGGLTUYQTJRA-CABCVRRESA-N 1 0 315.442 3.287 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2csc([C@@H](C)OC)n2)[C@H](C)C1 ZINC000079461111 431725027 /nfs/dbraw/zinc/72/50/27/431725027.db2.gz JUTXZZBGCVKYLV-NFAWXSAZSA-N 1 0 311.495 3.013 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000174236746 280620137 /nfs/dbraw/zinc/62/01/37/280620137.db2.gz VPGUDWJTPJVVGH-IRXDYDNUSA-N 1 0 302.462 3.418 10 0 DGAERO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCOCC1)CCCO2 ZINC000178275900 280628314 /nfs/dbraw/zinc/62/83/14/280628314.db2.gz KTFVRRYNQUAXDA-KRWDZBQOSA-N 1 0 319.445 3.155 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000121121719 431748186 /nfs/dbraw/zinc/74/81/86/431748186.db2.gz QXFMOBYOAWINMK-AWEZNQCLSA-N 1 0 323.506 3.187 10 0 DGAERO CCCc1nc(CN(C)[C@H]2C[C@H](OCC)C23CCCC3)no1 ZINC000121241578 431758869 /nfs/dbraw/zinc/75/88/69/431758869.db2.gz MGCBYPDDKSCVAC-KBPBESRZSA-N 1 0 307.438 3.192 10 0 DGAERO CC(C)c1nnc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)n1C ZINC000121280382 431764126 /nfs/dbraw/zinc/76/41/26/431764126.db2.gz KKDWEHPSHFDPHX-HNNXBMFYSA-N 1 0 316.424 3.142 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000079253330 431718631 /nfs/dbraw/zinc/71/86/31/431718631.db2.gz DBDUXEPSCHTTMW-NVXWUHKLSA-N 1 0 303.450 3.263 10 0 DGAERO CCOc1c(F)cccc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000079318266 431722371 /nfs/dbraw/zinc/72/23/71/431722371.db2.gz IBUKIXUOKCUMAE-AWEZNQCLSA-N 1 0 322.424 3.219 10 0 DGAERO CCOc1c(F)cccc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000079318272 431723603 /nfs/dbraw/zinc/72/36/03/431723603.db2.gz IBUKIXUOKCUMAE-CQSZACIVSA-N 1 0 322.424 3.219 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000121470222 431788731 /nfs/dbraw/zinc/78/87/31/431788731.db2.gz BVNNIVLKCVTSAF-HNNXBMFYSA-N 1 0 324.415 3.230 10 0 DGAERO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000081643437 431797972 /nfs/dbraw/zinc/79/79/72/431797972.db2.gz LTZHKXPAAGCUTM-OAHLLOKOSA-N 1 0 312.413 3.284 10 0 DGAERO CCOC[C@@H]1CC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084112743 431816312 /nfs/dbraw/zinc/81/63/12/431816312.db2.gz XIPAOBUBRHXYBR-OAHLLOKOSA-N 1 0 322.474 3.319 10 0 DGAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000080518299 431770191 /nfs/dbraw/zinc/77/01/91/431770191.db2.gz WQIAUIPGYUZTDH-DTWKUNHWSA-N 1 0 306.631 3.209 10 0 DGAERO O[C@H](CN1CCO[C@H](c2ccco2)C1)c1ccccc1Cl ZINC000121357743 431775792 /nfs/dbraw/zinc/77/57/92/431775792.db2.gz SDIVQYSMBZOFHW-ZBFHGGJFSA-N 1 0 307.777 3.040 10 0 DGAERO COC(=O)c1oc([C@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)cc1C ZINC000122629273 431840535 /nfs/dbraw/zinc/84/05/35/431840535.db2.gz YCCGCGXYSJNKES-LBPRGKRZSA-N 1 0 317.389 3.038 10 0 DGAERO C[C@H](c1ccccc1Cl)N1CCN(Cc2ccon2)CC1 ZINC000122708767 431842506 /nfs/dbraw/zinc/84/25/06/431842506.db2.gz PCJBYJVTTUXRCC-CYBMUJFWSA-N 1 0 305.809 3.207 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)[C@@H](C)c1c(F)cccc1F ZINC000122707924 431842651 /nfs/dbraw/zinc/84/26/51/431842651.db2.gz QBVFIROEDVXEOQ-LBPRGKRZSA-N 1 0 321.371 3.237 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cnc2c(C)cccn12 ZINC000122786692 431844244 /nfs/dbraw/zinc/84/42/44/431844244.db2.gz BPTGTYWCXLBGDL-KRWDZBQOSA-N 1 0 323.444 3.330 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc3ccccc32)CC[N@@H+]1C ZINC000122912187 431849141 /nfs/dbraw/zinc/84/91/41/431849141.db2.gz VJHGFSNXXUOLET-QAPCUYQASA-N 1 0 310.441 3.323 10 0 DGAERO C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000122944896 431849798 /nfs/dbraw/zinc/84/97/98/431849798.db2.gz BCQJGBZJAZXHFS-JKIFEVAISA-N 1 0 306.425 3.260 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2cccc(F)c2)CC[N@@H+]1C ZINC000122949609 431850043 /nfs/dbraw/zinc/85/00/43/431850043.db2.gz JHJXLHNIMTZBIW-CZUORRHYSA-N 1 0 306.425 3.044 10 0 DGAERO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000037816093 431850512 /nfs/dbraw/zinc/85/05/12/431850512.db2.gz IOCDGHRVRDSQGY-CYBMUJFWSA-N 1 0 303.233 3.325 10 0 DGAERO [NH3+]C1CCC(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000037807622 431850543 /nfs/dbraw/zinc/85/05/43/431850543.db2.gz LZMWLOZHANCDOB-UHFFFAOYSA-N 1 0 306.837 3.349 10 0 DGAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccs2)c1 ZINC000037890098 431851646 /nfs/dbraw/zinc/85/16/46/431851646.db2.gz ZROQDAWLQKNSOH-GJZGRUSLSA-N 1 0 305.443 3.455 10 0 DGAERO CCc1ncc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000037924369 431851651 /nfs/dbraw/zinc/85/16/51/431851651.db2.gz PMJWDWJKJSUWSN-LLVKDONJSA-N 1 0 304.415 3.328 10 0 DGAERO COc1ccc(Cl)cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917700 431851683 /nfs/dbraw/zinc/85/16/83/431851683.db2.gz FYSGEGGJUPKGDQ-BBRMVZONSA-N 1 0 308.853 3.313 10 0 DGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000123101405 431854685 /nfs/dbraw/zinc/85/46/85/431854685.db2.gz AGEIDUIRUORZLZ-WMZOPIPTSA-N 1 0 314.477 3.499 10 0 DGAERO OC[C@@H]([NH2+]Cc1ccccc1)c1cccc(Br)c1 ZINC000038110979 431854955 /nfs/dbraw/zinc/85/49/55/431854955.db2.gz MLVMGWBQAFPLBD-OAHLLOKOSA-N 1 0 306.203 3.272 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)c1 ZINC000123112063 431855985 /nfs/dbraw/zinc/85/59/85/431855985.db2.gz QHJSEKKLSRNTPB-GOSISDBHSA-N 1 0 321.428 3.419 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123167804 431857484 /nfs/dbraw/zinc/85/74/84/431857484.db2.gz OPKWPIFQNPUWKP-SMDDNHRTSA-N 1 0 314.351 3.260 10 0 DGAERO C[NH+](C)CCN(Cc1ccco1)C(=O)NC1CCC(C)(C)CC1 ZINC000088588055 431859021 /nfs/dbraw/zinc/85/90/21/431859021.db2.gz YSPNSKFAIAYSCG-UHFFFAOYSA-N 1 0 321.465 3.322 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H]2C)cc1 ZINC000123270347 431859995 /nfs/dbraw/zinc/85/99/95/431859995.db2.gz GPLYLEVTYKGCNX-KGLIPLIRSA-N 1 0 312.417 3.436 10 0 DGAERO Cc1nn(C)c(C[NH2+][C@H]2CCC[C@H](C)C2)c1Br ZINC000089231809 431862132 /nfs/dbraw/zinc/86/21/32/431862132.db2.gz GCCFHIIZGSHODX-ONGXEEELSA-N 1 0 300.244 3.159 10 0 DGAERO CC(C)c1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123422902 431865065 /nfs/dbraw/zinc/86/50/65/431865065.db2.gz OLVVRFAVMLMHCU-MAUKXSAKSA-N 1 0 317.477 3.163 10 0 DGAERO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427264 431865864 /nfs/dbraw/zinc/86/58/64/431865864.db2.gz DTZOSDSFEDEBGP-JKSUJKDBSA-N 1 0 302.418 3.037 10 0 DGAERO COc1ccccc1/C(C)=C/C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123516160 431867118 /nfs/dbraw/zinc/86/71/18/431867118.db2.gz YIDUPJPGYIEKIR-KBYULJEUSA-N 1 0 316.445 3.040 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(Cl)s1 ZINC000123516932 431867201 /nfs/dbraw/zinc/86/72/01/431867201.db2.gz WHTQXEUDWAAQBA-NEPJUHHUSA-N 1 0 302.871 3.163 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000089518125 431868491 /nfs/dbraw/zinc/86/84/91/431868491.db2.gz JWGDPZKNLOSZPM-ZDUSSCGKSA-N 1 0 303.406 3.306 10 0 DGAERO Cc1noc(CC[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)n1 ZINC000089518753 431868606 /nfs/dbraw/zinc/86/86/06/431868606.db2.gz GMUXULDHNIYURS-CQSZACIVSA-N 1 0 321.808 3.386 10 0 DGAERO CC[C@H]([NH2+]CCc1nc(C)no1)c1ccc(Br)cc1 ZINC000089518602 431868612 /nfs/dbraw/zinc/86/86/12/431868612.db2.gz MFWKZHCSYJDLMW-ZDUSSCGKSA-N 1 0 324.222 3.424 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1N1CCCC1 ZINC000043456912 431868695 /nfs/dbraw/zinc/86/86/95/431868695.db2.gz GCCUJWIJZPBNLO-OAHLLOKOSA-N 1 0 318.465 3.139 10 0 DGAERO CCCOc1ccccc1NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000043452360 431868760 /nfs/dbraw/zinc/86/87/60/431868760.db2.gz GWXQQMNACRRJCP-AWEZNQCLSA-N 1 0 307.438 3.327 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2ccc(Br)s2)n1 ZINC000089517674 431868941 /nfs/dbraw/zinc/86/89/41/431868941.db2.gz OXYGTLANLGUXNO-SSDOTTSWSA-N 1 0 316.224 3.095 10 0 DGAERO Cc1nc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)sc1C ZINC000043549178 431869469 /nfs/dbraw/zinc/86/94/69/431869469.db2.gz OTWNVDJKNWOYQN-WDEREUQCSA-N 1 0 310.467 3.002 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH3+])c3cc(F)ccc32)CC1 ZINC000044136767 431871844 /nfs/dbraw/zinc/87/18/44/431871844.db2.gz XXOUZXJIMWGDGL-HNNXBMFYSA-N 1 0 320.408 3.498 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@H](c2cc(F)cc(F)c2)C1 ZINC000044136334 431872014 /nfs/dbraw/zinc/87/20/14/431872014.db2.gz SELFEUKUPAZDDY-KBPBESRZSA-N 1 0 312.360 3.017 10 0 DGAERO CSc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000035258729 431828120 /nfs/dbraw/zinc/82/81/20/431828120.db2.gz OSWWOVPUJOVKGN-UHFFFAOYSA-N 1 0 306.475 3.145 10 0 DGAERO O=S1(=O)CC[C@H]([NH2+]CC2CCCCC2)c2cc(F)ccc21 ZINC000035295753 431828375 /nfs/dbraw/zinc/82/83/75/431828375.db2.gz XIXIJUVNIOPXFV-HNNXBMFYSA-N 1 0 311.422 3.214 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000084768119 431833717 /nfs/dbraw/zinc/83/37/17/431833717.db2.gz WHWAMASRDCYMBV-DUMMIQTOSA-N 1 0 300.446 3.197 10 0 DGAERO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccsc1)C1CC1 ZINC000036031113 431833998 /nfs/dbraw/zinc/83/39/98/431833998.db2.gz SHUDCIZQRSRWQJ-KRWDZBQOSA-N 1 0 317.454 3.461 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2F)[C@H](C)C1 ZINC000122557687 431837652 /nfs/dbraw/zinc/83/76/52/431837652.db2.gz IIUQYVBRVHIELL-IAQYHMDHSA-N 1 0 312.816 3.281 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(C)c(C)cc3C)[C@H]2C1 ZINC000092095202 431907655 /nfs/dbraw/zinc/90/76/55/431907655.db2.gz SIUMLTIGDTUNDF-CEXWTWQISA-N 1 0 303.446 3.380 10 0 DGAERO Cc1cc(C)cc(NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000047296344 431907779 /nfs/dbraw/zinc/90/77/79/431907779.db2.gz HGMPWJGHZUBUMM-UHFFFAOYSA-N 1 0 312.413 3.496 10 0 DGAERO CCc1cc(N2CCC[C@H](Cn3cncn3)C2)c2ccccc2[nH+]1 ZINC000124938594 431909198 /nfs/dbraw/zinc/90/91/98/431909198.db2.gz MLKBDFGQEFATSL-HNNXBMFYSA-N 1 0 321.428 3.305 10 0 DGAERO CN1C(=O)C[C@@H]([NH2+]Cc2ccsc2)[C@H]1c1ccc(Cl)cc1 ZINC000092849310 431911530 /nfs/dbraw/zinc/91/15/30/431911530.db2.gz REBCDEPHWPUXGO-GDBMZVCRSA-N 1 0 320.845 3.463 10 0 DGAERO CC(C)(C)c1n[nH]cc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000092785765 431912022 /nfs/dbraw/zinc/91/20/22/431912022.db2.gz GOMDEPXIANSCDV-INIZCTEOSA-N 1 0 304.482 3.158 10 0 DGAERO C1=CC[C@H](C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)CC1 ZINC000092811866 431912323 /nfs/dbraw/zinc/91/23/23/431912323.db2.gz XEXQASUNAZPESX-JKSUJKDBSA-N 1 0 300.450 3.498 10 0 DGAERO CCOC(C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1)OCC ZINC000125136147 431914247 /nfs/dbraw/zinc/91/42/47/431914247.db2.gz NRSPFISFLHZHMI-MRXNPFEDSA-N 1 0 323.408 3.262 10 0 DGAERO CC(C)c1ccc([C@H](C)NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000047886946 431916510 /nfs/dbraw/zinc/91/65/10/431916510.db2.gz XDMWLOZPYULRBZ-AWEZNQCLSA-N 1 0 303.450 3.264 10 0 DGAERO CCCc1nc(CN2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000047972599 431917535 /nfs/dbraw/zinc/91/75/35/431917535.db2.gz TULVXRQJHSBKML-UHFFFAOYSA-N 1 0 307.507 3.403 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)NC1CCCC1 ZINC000047943431 431917900 /nfs/dbraw/zinc/91/79/00/431917900.db2.gz XRNURUQVJGQIHB-UWVGGRQHSA-N 1 0 300.855 3.499 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)C1CCOCC1 ZINC000125290604 431920322 /nfs/dbraw/zinc/92/03/22/431920322.db2.gz NGPLZNSSFQAKHF-OLZOCXBDSA-N 1 0 301.390 3.202 10 0 DGAERO Clc1ncc(COCCC[C@H]2CCC[NH2+]C2)c(Cl)n1 ZINC000095070236 431920568 /nfs/dbraw/zinc/92/05/68/431920568.db2.gz JXOLCXIZVLZTIM-SNVBAGLBSA-N 1 0 304.221 3.080 10 0 DGAERO CSc1nc(Cl)cc(OCCC[C@@H]2CCC[NH2+]C2)n1 ZINC000095071797 431920630 /nfs/dbraw/zinc/92/06/30/431920630.db2.gz OGCVSHNKCRIRGK-JTQLQIEISA-N 1 0 301.843 3.011 10 0 DGAERO Cc1cnn(CC[NH2+][C@H](C)c2ccccc2OC(F)(F)F)c1 ZINC000123848967 431875852 /nfs/dbraw/zinc/87/58/52/431875852.db2.gz AADRWHHBPNCYFB-GFCCVEGCSA-N 1 0 313.323 3.441 10 0 DGAERO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732101 431875906 /nfs/dbraw/zinc/87/59/06/431875906.db2.gz QCLMWCXOZUYVQM-QZTJIDSGSA-N 1 0 310.445 3.056 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)s1 ZINC000089733033 431876436 /nfs/dbraw/zinc/87/64/36/431876436.db2.gz MIGCBGJEDNNJDK-KBPBESRZSA-N 1 0 316.474 3.420 10 0 DGAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2scnc2C2CC2)C1 ZINC000089749460 431877087 /nfs/dbraw/zinc/87/70/87/431877087.db2.gz QZOHIIHEBOBKLX-CYBMUJFWSA-N 1 0 321.490 3.262 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2coc(-c3cccc(F)c3)n2)CC[N@@H+]1C ZINC000123995728 431880136 /nfs/dbraw/zinc/88/01/36/431880136.db2.gz YCAMOOADMDRDDW-GUYCJALGSA-N 1 0 317.408 3.395 10 0 DGAERO Cc1cnn(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000124099308 431882945 /nfs/dbraw/zinc/88/29/45/431882945.db2.gz OSXOBCTWYNIZMC-SFHVURJKSA-N 1 0 311.429 3.184 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)Cc1ccc(OC)c(F)c1 ZINC000124158048 431884684 /nfs/dbraw/zinc/88/46/84/431884684.db2.gz KTOIBSYOIHIWMQ-UHFFFAOYSA-N 1 0 316.376 3.125 10 0 DGAERO CCc1nc2c(s1)[C@H]([NH2+]CCc1c(C)nn(C)c1C)CCC2 ZINC000124211143 431885908 /nfs/dbraw/zinc/88/59/08/431885908.db2.gz XIRZAQAIXGCGJC-CQSZACIVSA-N 1 0 318.490 3.266 10 0 DGAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000124310067 431889712 /nfs/dbraw/zinc/88/97/12/431889712.db2.gz XLFQLSXMBRFGOM-ZDUSSCGKSA-N 1 0 303.450 3.178 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)CCCO2 ZINC000090178431 431890515 /nfs/dbraw/zinc/89/05/15/431890515.db2.gz RPPFZZBODSZADK-GOEBONIOSA-N 1 0 316.445 3.198 10 0 DGAERO CCC[C@H](C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)[NH+](C)C ZINC000124475804 431895395 /nfs/dbraw/zinc/89/53/95/431895395.db2.gz YPKKVNYENCQZOI-GXTWGEPZSA-N 1 0 322.453 3.025 10 0 DGAERO CCO[C@H](C)c1nc(CN(C)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC000124513485 431896699 /nfs/dbraw/zinc/89/66/99/431896699.db2.gz GYWNFRKRDYRZKS-HIFRSBDPSA-N 1 0 311.495 3.157 10 0 DGAERO CC(C)[C@H](Cc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124555114 431897428 /nfs/dbraw/zinc/89/74/28/431897428.db2.gz AIEHLSNISBNTQB-WDSOQIARSA-N 1 0 316.489 3.442 10 0 DGAERO Cc1ccc(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124615419 431898909 /nfs/dbraw/zinc/89/89/09/431898909.db2.gz KTXVSSWBBFWVMC-WBVHZDCISA-N 1 0 302.462 3.214 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccsc1 ZINC000090939142 431899166 /nfs/dbraw/zinc/89/91/66/431899166.db2.gz RWJNEMRDHSPOSS-STQMWFEESA-N 1 0 313.426 3.197 10 0 DGAERO Fc1ccc(C[N@@H+](Cc2ccncc2)C[C@H]2CCCO2)cc1 ZINC000055073375 431976444 /nfs/dbraw/zinc/97/64/44/431976444.db2.gz SNFCPCRQFGSAMY-GOSISDBHSA-N 1 0 300.377 3.402 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(Cl)sc1Cl ZINC000125603441 431930765 /nfs/dbraw/zinc/93/07/65/431930765.db2.gz HSMCVVWWQPSQMH-NOZJJQNGSA-N 1 0 324.273 3.495 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccccc1C(F)(F)F ZINC000125645528 431931876 /nfs/dbraw/zinc/93/18/76/431931876.db2.gz JYRLBPUOHYIZCJ-DOMZBBRYSA-N 1 0 317.351 3.145 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000089732084 280941818 /nfs/dbraw/zinc/94/18/18/280941818.db2.gz UAMOUXRPJATYPO-IAGOWNOFSA-N 1 0 310.445 3.413 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccccc1F ZINC000125670023 431932820 /nfs/dbraw/zinc/93/28/20/431932820.db2.gz FHIVGCDFQAAPRC-ZDUSSCGKSA-N 1 0 316.376 3.033 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2cnn(-c3cccc(Cl)c3)c2)C[N@@H+]1C ZINC000096009215 431934475 /nfs/dbraw/zinc/93/44/75/431934475.db2.gz LPMLJUZJXHZBSX-CXAGYDPISA-N 1 0 318.852 3.050 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(Cl)ccc1Cl ZINC000125801088 431935769 /nfs/dbraw/zinc/93/57/69/431935769.db2.gz LJSCXRLGXIAZKT-ABAIWWIYSA-N 1 0 318.244 3.433 10 0 DGAERO O=C(c1ccc2ccccc2n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073842 431936283 /nfs/dbraw/zinc/93/62/83/431936283.db2.gz IGUXTNPMAKYUAO-UHFFFAOYSA-N 1 0 323.440 3.183 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000049779536 431943616 /nfs/dbraw/zinc/94/36/16/431943616.db2.gz WLCZLIFWDIYSTI-OAHLLOKOSA-N 1 0 317.477 3.340 10 0 DGAERO c1[nH]c([C@@H]2CCC[N@@H+](Cc3cncnc3)C2)nc1-c1ccccc1 ZINC000126143353 431943870 /nfs/dbraw/zinc/94/38/70/431943870.db2.gz RXWAWCUFPHCVBC-QGZVFWFLSA-N 1 0 319.412 3.246 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc21 ZINC000126200891 431944688 /nfs/dbraw/zinc/94/46/88/431944688.db2.gz PSQYSSMDHSNVTJ-YVEFUNNKSA-N 1 0 317.408 3.028 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2ccccc2F)C1 ZINC000052593726 431956340 /nfs/dbraw/zinc/95/63/40/431956340.db2.gz IRMJAAKWUCAFOZ-UONOGXRCSA-N 1 0 307.413 3.012 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2ccc(C)cc2)C1 ZINC000052594112 431957543 /nfs/dbraw/zinc/95/75/43/431957543.db2.gz DWIFBCGBSYLBLU-DOTOQJQBSA-N 1 0 303.450 3.182 10 0 DGAERO OCCC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1Br ZINC000052762323 431958028 /nfs/dbraw/zinc/95/80/28/431958028.db2.gz CFAFMVBHQCOSPW-CYBMUJFWSA-N 1 0 316.214 3.325 10 0 DGAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3cc(Br)cs3)no2)C1 ZINC000097068427 431959326 /nfs/dbraw/zinc/95/93/26/431959326.db2.gz GXLCEZUFESGPTD-SVRRBLITSA-N 1 0 314.208 3.155 10 0 DGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[S@](C)=O ZINC000126888501 431959474 /nfs/dbraw/zinc/95/94/74/431959474.db2.gz OEHYYMWBRYCUDT-XAAFQQQXSA-N 1 0 310.488 3.147 10 0 DGAERO C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000097254927 431965787 /nfs/dbraw/zinc/96/57/87/431965787.db2.gz YGBXGXHXPUJKPP-UHFFFAOYSA-N 1 0 306.409 3.036 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000054322193 431969636 /nfs/dbraw/zinc/96/96/36/431969636.db2.gz ONRGCYGXHAZHEI-BRWVUGGUSA-N 1 0 324.509 3.016 10 0 DGAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCc2ccccc2)CC1 ZINC000101549577 431985320 /nfs/dbraw/zinc/98/53/20/431985320.db2.gz IGNNAFRJKHRPOX-MRXNPFEDSA-N 1 0 302.462 3.102 10 0 DGAERO CC(C)n1ncc2cc(CN(C)C[C@H]3CCCO3)c(Cl)nc21 ZINC000128001031 431985931 /nfs/dbraw/zinc/98/59/31/431985931.db2.gz UYSJCYKYESZICC-CQSZACIVSA-N 1 0 322.840 3.276 10 0 DGAERO COc1c(C)cc(C[N@H+](C)[C@H](C)C(=O)NC2CCCC2)cc1C ZINC000101566429 431986250 /nfs/dbraw/zinc/98/62/50/431986250.db2.gz QDKWHXGZQREFEN-OAHLLOKOSA-N 1 0 318.461 3.191 10 0 DGAERO CCCCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000101566210 431986304 /nfs/dbraw/zinc/98/63/04/431986304.db2.gz FGUFILWTOZGUQA-OAHLLOKOSA-N 1 0 306.450 3.049 10 0 DGAERO Cc1ccc2ncnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)c2c1 ZINC000488718148 281172913 /nfs/dbraw/zinc/17/29/13/281172913.db2.gz WLNBJCAWRLYDMJ-HNNXBMFYSA-N 1 0 310.445 3.249 10 0 DGAERO Cc1ccc([C@H](CNC(=O)N[C@H](C)C(C)C)[NH+]2CCCC2)o1 ZINC000101620657 431987384 /nfs/dbraw/zinc/98/73/84/431987384.db2.gz SIGNDQGZPASCMO-CABCVRRESA-N 1 0 307.438 3.069 10 0 DGAERO Cc1cccc2[nH]cc(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c21 ZINC000103432230 281264686 /nfs/dbraw/zinc/26/46/86/281264686.db2.gz YDFMREKXLBRWNA-MRXNPFEDSA-N 1 0 315.461 3.111 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3cc(C(N)=O)cs3)C2)c1 ZINC000183213467 432269583 /nfs/dbraw/zinc/26/95/83/432269583.db2.gz ICZFCTIRSXTMFK-AWEZNQCLSA-N 1 0 314.454 3.453 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@H]1c1ccccc1 ZINC000248137170 432269932 /nfs/dbraw/zinc/26/99/32/432269932.db2.gz XTNBXRYLQBNMKP-DLBZAZTESA-N 1 0 316.351 3.140 10 0 DGAERO COc1ccc([C@H](C)[NH2+]Cc2cccnc2N(C)C)cc1OC ZINC000173320080 432271785 /nfs/dbraw/zinc/27/17/85/432271785.db2.gz UIYGYFCCTQIIEL-ZDUSSCGKSA-N 1 0 315.417 3.016 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000183230055 432272139 /nfs/dbraw/zinc/27/21/39/432272139.db2.gz FHLJRDNDBDEIDX-XHDPSFHLSA-N 1 0 307.340 3.358 10 0 DGAERO Cc1cc(C)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248144824 432272677 /nfs/dbraw/zinc/27/26/77/432272677.db2.gz ZFSASMWEPREFSL-OALUTQOASA-N 1 0 308.425 3.479 10 0 DGAERO O=C(c1ccc[nH]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248155963 432272969 /nfs/dbraw/zinc/27/29/69/432272969.db2.gz RJZXFPRQHMSLNK-IEBWSBKVSA-N 1 0 323.440 3.141 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc4ccccc4c3)CC[C@H]21 ZINC000248173162 432274025 /nfs/dbraw/zinc/27/40/25/432274025.db2.gz VDNIRYAAORJIBV-RTBURBONSA-N 1 0 308.425 3.396 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000183266064 432276792 /nfs/dbraw/zinc/27/67/92/432276792.db2.gz LXAWRTHNQQKCNS-YOEHRIQHSA-N 1 0 302.397 3.075 10 0 DGAERO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C2CC[NH2+]CC2)o1 ZINC000236973069 281420614 /nfs/dbraw/zinc/42/06/14/281420614.db2.gz LSYVEDDXBDNNDW-CJNGLKHVSA-N 1 0 304.434 3.141 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](C(C)C)CC2)cc1F ZINC000152086158 432303531 /nfs/dbraw/zinc/30/35/31/432303531.db2.gz AROAQOWVHHSMCL-AWEZNQCLSA-N 1 0 321.440 3.367 10 0 DGAERO Cc1cc(Cl)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1C ZINC000248398987 432284296 /nfs/dbraw/zinc/28/42/96/432284296.db2.gz JHWOKTNFYBYCIH-CJNGLKHVSA-N 1 0 308.853 3.415 10 0 DGAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(O)c2)C1 ZINC000248404791 432285969 /nfs/dbraw/zinc/28/59/69/432285969.db2.gz AARMLRROPBXCEM-JKSUJKDBSA-N 1 0 316.445 3.119 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(O)c2)C1 ZINC000248404790 432287253 /nfs/dbraw/zinc/28/72/53/432287253.db2.gz AARMLRROPBXCEM-HZPDHXFCSA-N 1 0 316.445 3.119 10 0 DGAERO C[C@](O)(C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000191668720 432288256 /nfs/dbraw/zinc/28/82/56/432288256.db2.gz LNMMAEDRSMVRHH-IBGZPJMESA-N 1 0 313.445 3.498 10 0 DGAERO Cc1cccc([C@H](C)[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000173606846 432289854 /nfs/dbraw/zinc/28/98/54/432289854.db2.gz PALKMPGZXRIYJE-INIZCTEOSA-N 1 0 313.445 3.124 10 0 DGAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000183405577 432290616 /nfs/dbraw/zinc/29/06/16/432290616.db2.gz TVGAVCVHJCJROT-NHYWBVRUSA-N 1 0 319.417 3.075 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000183470509 432296544 /nfs/dbraw/zinc/29/65/44/432296544.db2.gz CIEDTRQNMQCOCH-UHFFFAOYSA-N 1 0 303.793 3.073 10 0 DGAERO CN(CCc1cccs1)Cc1nnc(-c2ccccc2)n1C ZINC000173756499 432298082 /nfs/dbraw/zinc/29/80/82/432298082.db2.gz YYEIAPKPSNUWDK-UHFFFAOYSA-N 1 0 312.442 3.218 10 0 DGAERO CC[C@H](CSC)[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000183521665 432300277 /nfs/dbraw/zinc/30/02/77/432300277.db2.gz PRGLZCYTOJZJMC-BXUZGUMPSA-N 1 0 310.463 3.446 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cnc(C)s2)[C@H]1Oc1ccccc1 ZINC000248551256 432300319 /nfs/dbraw/zinc/30/03/19/432300319.db2.gz INZYGQJIQDPRIP-GVDBMIGSSA-N 1 0 318.442 3.166 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)[C@@H]1COc2ccccc21 ZINC000248556542 432301790 /nfs/dbraw/zinc/30/17/90/432301790.db2.gz BNPVHYBIYLLTFQ-YLQAJVPDSA-N 1 0 301.361 3.013 10 0 DGAERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CCc1ccc(Cl)cc1 ZINC000128619048 431997592 /nfs/dbraw/zinc/99/75/92/431997592.db2.gz KQSAIIIULXHOOK-HNNXBMFYSA-N 1 0 302.805 3.238 10 0 DGAERO c1cnn([C@H]2CCCC[C@H]2[NH2+]Cc2nnc(-c3ccccc3)o2)c1 ZINC000128679276 431998463 /nfs/dbraw/zinc/99/84/63/431998463.db2.gz OYHRYOSATIUMJJ-CVEARBPZSA-N 1 0 323.400 3.207 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000060975734 432000936 /nfs/dbraw/zinc/00/09/36/432000936.db2.gz KEAHFOZYUODFNQ-HNNXBMFYSA-N 1 0 310.397 3.031 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc4ccccc43)CC[C@H]21 ZINC000247998725 432261479 /nfs/dbraw/zinc/26/14/79/432261479.db2.gz KDTCWYSLLLURPN-VQIMIIECSA-N 1 0 308.425 3.396 10 0 DGAERO C[C@@H]([NH2+]Cc1c(F)cccc1Br)[C@H]1CCCO1 ZINC000183146751 432262974 /nfs/dbraw/zinc/26/29/74/432262974.db2.gz DJVWNWJXHSMPFU-NOZJJQNGSA-N 1 0 302.187 3.245 10 0 DGAERO Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000248040570 432264351 /nfs/dbraw/zinc/26/43/51/432264351.db2.gz LWYDHPKAZLTTNC-WMZOPIPTSA-N 1 0 314.454 3.161 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(Cc3csc(-c4ccco4)n3)CC[C@H]21 ZINC000248062274 432265294 /nfs/dbraw/zinc/26/52/94/432265294.db2.gz LYXZAXWHVDQXFH-DZGCQCFKSA-N 1 0 317.458 3.319 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC2(CCCCC2)CC1 ZINC000183553842 432303087 /nfs/dbraw/zinc/30/30/87/432303087.db2.gz OCWSTJLSEDYHSR-UHFFFAOYSA-N 1 0 301.434 3.334 10 0 DGAERO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000183205303 432268165 /nfs/dbraw/zinc/26/81/65/432268165.db2.gz MZKOBMOXKPOWEW-DZGCQCFKSA-N 1 0 321.490 3.087 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)[C@H]1CCc2ccccc2NC1=O ZINC000191959964 432318141 /nfs/dbraw/zinc/31/81/41/432318141.db2.gz DRGRBSOVKMCMOL-SFHVURJKSA-N 1 0 312.388 3.254 10 0 DGAERO O=C(NCCC1=CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000152258391 432319113 /nfs/dbraw/zinc/31/91/13/432319113.db2.gz JKMVOZAVFLYELX-KRWDZBQOSA-N 1 0 305.466 3.147 10 0 DGAERO CCn1cc([C@@H]2C[N@@H+]([C@H](C)CCc3ccccc3)CCO2)cn1 ZINC000248823005 432320963 /nfs/dbraw/zinc/32/09/63/432320963.db2.gz WCKNGTYOXQKYBT-APWZRJJASA-N 1 0 313.445 3.298 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000174109996 432321074 /nfs/dbraw/zinc/32/10/74/432321074.db2.gz INMGIFPJQNJCPS-QZTJIDSGSA-N 1 0 306.494 3.441 10 0 DGAERO CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)C1 ZINC000248830044 432323064 /nfs/dbraw/zinc/32/30/64/432323064.db2.gz HVOGGRLJMZWWPR-UGUYLWEFSA-N 1 0 307.438 3.356 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000152330806 432325871 /nfs/dbraw/zinc/32/58/71/432325871.db2.gz UDLVYCCWWCWBBL-IEBWSBKVSA-N 1 0 316.489 3.425 10 0 DGAERO C[C@](O)(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(Cl)c1 ZINC000248895108 432327255 /nfs/dbraw/zinc/32/72/55/432327255.db2.gz TTYWRHDHQGUHCD-NCOADZHNSA-N 1 0 321.848 3.095 10 0 DGAERO CC1([C@H]2CCC[N@H+](C[C@H]3CCC4(CCCCC4)O3)C2)OCCO1 ZINC000248888332 432327664 /nfs/dbraw/zinc/32/76/64/432327664.db2.gz YDBFIKNNEOFKFB-DLBZAZTESA-N 1 0 323.477 3.343 10 0 DGAERO C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000248886788 432327775 /nfs/dbraw/zinc/32/77/75/432327775.db2.gz RCRGUPQKFNBZNI-XYPHTWIQSA-N 1 0 316.445 3.054 10 0 DGAERO CC(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248946938 432331197 /nfs/dbraw/zinc/33/11/97/432331197.db2.gz ZKJRXFFZYMNPSN-XYJFISCASA-N 1 0 317.477 3.090 10 0 DGAERO C[C@H](CCC1CC1)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000249057615 432336037 /nfs/dbraw/zinc/33/60/37/432336037.db2.gz XXDRLPQULXQGNC-MDZRGWNJSA-N 1 0 301.478 3.460 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(F)c(CSC)c2)C1 ZINC000174345579 432338506 /nfs/dbraw/zinc/33/85/06/432338506.db2.gz MBKCEHYQFHJLPZ-ZDUSSCGKSA-N 1 0 324.465 3.103 10 0 DGAERO COCCCCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192156174 432338488 /nfs/dbraw/zinc/33/84/88/432338488.db2.gz CARNFFRUKKHPBQ-NVXWUHKLSA-N 1 0 324.852 3.018 10 0 DGAERO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000249089980 432338604 /nfs/dbraw/zinc/33/86/04/432338604.db2.gz GJEAAUGAQQGUEQ-HYVNUMGLSA-N 1 0 318.848 3.187 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(F)c(CSC)c2)C1 ZINC000174344984 432339021 /nfs/dbraw/zinc/33/90/21/432339021.db2.gz KINHXSONXYRSAD-HNNXBMFYSA-N 1 0 324.465 3.245 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)CC2 ZINC000249123888 432339716 /nfs/dbraw/zinc/33/97/16/432339716.db2.gz QKLJJJBLLYDPMQ-OKZBNKHCSA-N 1 0 324.472 3.156 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000174370510 432340554 /nfs/dbraw/zinc/34/05/54/432340554.db2.gz SCNUVVNQYOAJDM-XUXIUFHCSA-N 1 0 322.424 3.273 10 0 DGAERO C[C@H]1CC(C(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@H](C)C1 ZINC000183977207 432341922 /nfs/dbraw/zinc/34/19/22/432341922.db2.gz QVPXWKKUAHPPFP-HZPDHXFCSA-N 1 0 306.494 3.393 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000249207972 432342156 /nfs/dbraw/zinc/34/21/56/432342156.db2.gz CBJTXISSSNSLIU-RDTXWAMCSA-N 1 0 315.461 3.092 10 0 DGAERO COc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1F ZINC000249203497 432342168 /nfs/dbraw/zinc/34/21/68/432342168.db2.gz AQXPPHLSDHPHHX-CVEARBPZSA-N 1 0 306.425 3.281 10 0 DGAERO CSCCN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000184004733 432344315 /nfs/dbraw/zinc/34/43/15/432344315.db2.gz KMQMPJWDMSCPNV-CYBMUJFWSA-N 1 0 305.365 3.442 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)o1 ZINC000174397395 432344381 /nfs/dbraw/zinc/34/43/81/432344381.db2.gz HNVVRYCXSZJLRE-OSAQELSMSA-N 1 0 307.438 3.082 10 0 DGAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000249301678 432344729 /nfs/dbraw/zinc/34/47/29/432344729.db2.gz CCXFQQPHXOZDOF-VQIMIIECSA-N 1 0 313.445 3.417 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)[C@H]2CCO[C@H]21 ZINC000249390987 432347206 /nfs/dbraw/zinc/34/72/06/432347206.db2.gz FXFBTYFMPCLIJH-KZNAEPCWSA-N 1 0 301.430 3.379 10 0 DGAERO C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1c1cccc(F)c1 ZINC000174444691 432347891 /nfs/dbraw/zinc/34/78/91/432347891.db2.gz NULWZFVDWUJIHE-SUMWQHHRSA-N 1 0 304.409 3.077 10 0 DGAERO CC1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)OCCCO1 ZINC000192252823 432350518 /nfs/dbraw/zinc/35/05/18/432350518.db2.gz BPIHPSFMLOCWAJ-UHFFFAOYSA-N 1 0 321.751 3.184 10 0 DGAERO OC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1ccsc1 ZINC000249554487 432350784 /nfs/dbraw/zinc/35/07/84/432350784.db2.gz JEUFGQLCEXWTHX-ZIAGYGMSSA-N 1 0 309.381 3.234 10 0 DGAERO Cc1ccc(CC[N@@H+]2C[C@@H](CO)[C@@H](c3ccsc3)C2)cc1 ZINC000249543441 432351850 /nfs/dbraw/zinc/35/18/50/432351850.db2.gz FPVPAZOULUCNLZ-ZWKOTPCHSA-N 1 0 301.455 3.307 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000174519733 432353534 /nfs/dbraw/zinc/35/35/34/432353534.db2.gz VZDSVUAXPBIZTC-FYXHJSOBSA-N 1 0 310.445 3.082 10 0 DGAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000249692071 432354029 /nfs/dbraw/zinc/35/40/29/432354029.db2.gz UYCIIPRBSCHKOI-MOPGFXCFSA-N 1 0 303.446 3.219 10 0 DGAERO CCC[C@H]1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCO1 ZINC000248608407 432305273 /nfs/dbraw/zinc/30/52/73/432305273.db2.gz VTGULLXXUYAKLH-BDXSIMOUSA-N 1 0 322.493 3.055 10 0 DGAERO Cc1c2ccccc2oc1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000183573139 432305513 /nfs/dbraw/zinc/30/55/13/432305513.db2.gz UEKPZYWSUCYRIR-UHFFFAOYSA-N 1 0 309.369 3.132 10 0 DGAERO Cc1csc([C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)C2CC2)n1 ZINC000248611998 432307491 /nfs/dbraw/zinc/30/74/91/432307491.db2.gz XUCUHUCLSXICMA-BZUAXINKSA-N 1 0 300.427 3.151 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)s1 ZINC000183607911 432308044 /nfs/dbraw/zinc/30/80/44/432308044.db2.gz TXXWCIAHQXCXLI-GHMZBOCLSA-N 1 0 320.380 3.471 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)s1 ZINC000183618102 432309461 /nfs/dbraw/zinc/30/94/61/432309461.db2.gz SIGLGJJPGFKLMU-PSASIEDQSA-N 1 0 308.369 3.206 10 0 DGAERO CNC(=O)Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)cs1 ZINC000191879918 432310088 /nfs/dbraw/zinc/31/00/88/432310088.db2.gz VZNJSBUBHCBRIR-UKRRQHHQSA-N 1 0 323.506 3.126 10 0 DGAERO CCc1csc([C@@H]2CCC[N@@H+]([C@H](C)c3cnccn3)C2)n1 ZINC000248639856 432310302 /nfs/dbraw/zinc/31/03/02/432310302.db2.gz XUEIJMCNSNNPQV-CHWSQXEVSA-N 1 0 302.447 3.436 10 0 DGAERO CCOC(=O)CCC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183688438 432315556 /nfs/dbraw/zinc/31/55/56/432315556.db2.gz WMQFSXBTAZQAGL-CQSZACIVSA-N 1 0 315.417 3.175 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)CC[C@@H]1C ZINC000251946189 432374132 /nfs/dbraw/zinc/37/41/32/432374132.db2.gz UZLUKEMFQRRDKI-HEHGZKQESA-N 1 0 322.474 3.092 10 0 DGAERO CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252446260 432376246 /nfs/dbraw/zinc/37/62/46/432376246.db2.gz QALPAMRLFKERFB-BMFZPTHFSA-N 1 0 306.837 3.219 10 0 DGAERO Cn1c2ccc(C[NH2+]Cc3cccc(F)c3)cc2sc1=O ZINC000192457461 432376998 /nfs/dbraw/zinc/37/69/98/432376998.db2.gz LXTYMFXQMBOZBH-UHFFFAOYSA-N 1 0 302.374 3.029 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)CCCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000153029497 432377863 /nfs/dbraw/zinc/37/78/63/432377863.db2.gz KNEVSWIGNISNLV-DZGCQCFKSA-N 1 0 324.415 3.229 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000174966093 432383318 /nfs/dbraw/zinc/38/33/18/432383318.db2.gz WJJYMZNRWGWEQN-BMGDILEWSA-N 1 0 318.436 3.090 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000192517741 432384143 /nfs/dbraw/zinc/38/41/43/432384143.db2.gz ZZDKVQDLNYPQOY-NZSAHSFTSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Br)cc1 ZINC000252675259 432386203 /nfs/dbraw/zinc/38/62/03/432386203.db2.gz YZHOKGCVSNOOBW-WFASDCNBSA-N 1 0 309.251 3.118 10 0 DGAERO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000252695917 432386253 /nfs/dbraw/zinc/38/62/53/432386253.db2.gz AYBXJOULACJGJG-PBHICJAKSA-N 1 0 316.424 3.187 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000192555021 432387597 /nfs/dbraw/zinc/38/75/97/432387597.db2.gz DSWOVUDYIJLYSQ-WBMJQRKESA-N 1 0 304.365 3.038 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)c1ccccc1 ZINC000174996236 432387631 /nfs/dbraw/zinc/38/76/31/432387631.db2.gz SZBLCXNBQLZFBB-ZWKOTPCHSA-N 1 0 314.473 3.440 10 0 DGAERO c1ccc2c(c1)C=C(CN1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CO2 ZINC000252802888 432388331 /nfs/dbraw/zinc/38/83/31/432388331.db2.gz VSLSTRYTGQUVFI-ICSRJNTNSA-N 1 0 324.468 3.411 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cn1 ZINC000253350611 432389621 /nfs/dbraw/zinc/38/96/21/432389621.db2.gz ARCSAXUQVMFRBT-ICSRJNTNSA-N 1 0 324.472 3.073 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2C)[C@H](C)C1 ZINC000192596434 432390341 /nfs/dbraw/zinc/39/03/41/432390341.db2.gz QYZITJVMTSFOCS-MLGOLLRUSA-N 1 0 308.853 3.451 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000192589122 432391256 /nfs/dbraw/zinc/39/12/56/432391256.db2.gz PSUVXWYRJJGEGG-HZMBPMFUSA-N 1 0 316.214 3.229 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000192599889 432392539 /nfs/dbraw/zinc/39/25/39/432392539.db2.gz FWMCHIOLXRZTDR-HNNXBMFYSA-N 1 0 313.438 3.254 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175061158 432393256 /nfs/dbraw/zinc/39/32/56/432393256.db2.gz QQBUGCOIYJSRKJ-CABCVRRESA-N 1 0 319.449 3.420 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCc3c2cccc3F)CC1 ZINC000184486030 432396579 /nfs/dbraw/zinc/39/65/79/432396579.db2.gz FCXPPDBWBXTIOH-UHFFFAOYSA-N 1 0 319.424 3.020 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000192681646 432400244 /nfs/dbraw/zinc/40/02/44/432400244.db2.gz IPGQVMGFWJMOCC-BBKFTCMMSA-N 1 0 322.452 3.379 10 0 DGAERO Fc1cccc(-c2cnc(CN3CCC[N@@H+](C4CC4)CC3)o2)c1 ZINC000175138205 432401362 /nfs/dbraw/zinc/40/13/62/432401362.db2.gz YBQYUQWNGFJANO-UHFFFAOYSA-N 1 0 315.392 3.151 10 0 DGAERO CC(C)C[C@H](C)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000184529883 432401749 /nfs/dbraw/zinc/40/17/49/432401749.db2.gz ODLDULALDYLRLR-SWLSCSKDSA-N 1 0 312.404 3.366 10 0 DGAERO CCc1csc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C2)n1 ZINC000175147555 432402508 /nfs/dbraw/zinc/40/25/08/432402508.db2.gz FODDDYBYMUBPQX-UONOGXRCSA-N 1 0 323.506 3.140 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nnc(-c2ccccc2)s1 ZINC000175167085 432405958 /nfs/dbraw/zinc/40/59/58/432405958.db2.gz WHLMOKCKXOUTMR-CQSZACIVSA-N 1 0 302.447 3.126 10 0 DGAERO CC(C)[C@H](SCc1ccccc1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000249771295 432357837 /nfs/dbraw/zinc/35/78/37/432357837.db2.gz BSIRPEPIUNHTFY-XIRDDKMYSA-N 1 0 320.502 3.059 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1ccccc1F ZINC000249877384 432360465 /nfs/dbraw/zinc/36/04/65/432360465.db2.gz MEOZGGBGVVZEOA-IUODEOHRSA-N 1 0 306.406 3.195 10 0 DGAERO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000249922081 432361413 /nfs/dbraw/zinc/36/14/13/432361413.db2.gz ZCCNTVVEUUUYOY-UONOGXRCSA-N 1 0 323.506 3.190 10 0 DGAERO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192367949 432365053 /nfs/dbraw/zinc/36/50/53/432365053.db2.gz MDNYYNUYAFDGKB-WMLDXEAASA-N 1 0 318.461 3.252 10 0 DGAERO Cc1ccc([C@@H]2CCCCN2C(=O)NC[C@@H](C)[N@H+](C)C2CC2)o1 ZINC000174734012 432366475 /nfs/dbraw/zinc/36/64/75/432366475.db2.gz VITRMMDJHKDVAV-CJNGLKHVSA-N 1 0 319.449 3.307 10 0 DGAERO CC(C)N(C(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1)C(C)C ZINC000152926415 432368813 /nfs/dbraw/zinc/36/88/13/432368813.db2.gz WVXZEOPUDFVDKB-KRWDZBQOSA-N 1 0 310.482 3.055 10 0 DGAERO C[C@H](C(=O)N1Cc2ccccc2C2(CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000251497293 432369789 /nfs/dbraw/zinc/36/97/89/432369789.db2.gz DQGFLAIJPAOVAL-OWCLPIDISA-N 1 0 312.457 3.322 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c2ccccc21 ZINC000251885688 432371641 /nfs/dbraw/zinc/37/16/41/432371641.db2.gz VZNQHLBWZBCBFP-VKJFTORMSA-N 1 0 315.461 3.218 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCSc1ccccc1 ZINC000261606307 432432152 /nfs/dbraw/zinc/43/21/52/432432152.db2.gz DPYABNHXHKYRLM-FLOBVVSRSA-N 1 0 318.486 3.191 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000153696701 432433637 /nfs/dbraw/zinc/43/36/37/432433637.db2.gz AOHMRPQKBVZMRL-YJBOKZPZSA-N 1 0 318.461 3.191 10 0 DGAERO C[NH+](C)C1CCN(C(=O)[C@@H](OC(C)(C)C)c2ccccc2)CC1 ZINC000153718382 432435976 /nfs/dbraw/zinc/43/59/76/432435976.db2.gz BMOLZJDWJJPWJJ-KRWDZBQOSA-N 1 0 318.461 3.095 10 0 DGAERO C[NH+](C)Cc1ccnc(NC(=O)c2c[nH]c3cc(F)ccc23)c1 ZINC000192965522 432436208 /nfs/dbraw/zinc/43/62/08/432436208.db2.gz YENRBWCQUXIICX-UHFFFAOYSA-N 1 0 312.348 3.016 10 0 DGAERO CC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)CC[C@@H]1c1ccccc1 ZINC000192987642 432437687 /nfs/dbraw/zinc/43/76/87/432437687.db2.gz JPQJWNFXGQUKSM-ZBFHGGJFSA-N 1 0 314.433 3.151 10 0 DGAERO C[C@H]1C[C@H](CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC(C)(C)C1 ZINC000261663979 432438961 /nfs/dbraw/zinc/43/89/61/432438961.db2.gz CHUJYMNRXAJWDO-VVLHAWIVSA-N 1 0 306.494 3.297 10 0 DGAERO CC(C)c1noc2ncc(-c3nc(C4([NH3+])CCCC4)no3)cc21 ZINC000261664536 432439025 /nfs/dbraw/zinc/43/90/25/432439025.db2.gz FWDOUFCUNXPZHV-UHFFFAOYSA-N 1 0 313.361 3.124 10 0 DGAERO Fc1cccc(OCc2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)c1 ZINC000261677285 432440513 /nfs/dbraw/zinc/44/05/13/432440513.db2.gz AAIHCNZWWPWXGB-GLQYFDAESA-N 1 0 317.364 3.381 10 0 DGAERO [NH3+]Cc1ccc(-c2noc(C[C@@H]3CCOc4ccccc43)n2)cc1 ZINC000261686268 432441261 /nfs/dbraw/zinc/44/12/61/432441261.db2.gz ARLAFBDHRAVLSR-HNNXBMFYSA-N 1 0 321.380 3.304 10 0 DGAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc(F)c(F)c1 ZINC000261727228 432443330 /nfs/dbraw/zinc/44/33/30/432443330.db2.gz LOGHGWDNFAALCN-KRWDZBQOSA-N 1 0 318.367 3.120 10 0 DGAERO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000175514429 432443760 /nfs/dbraw/zinc/44/37/60/432443760.db2.gz KVLFTTQONPDTPA-AEFFLSMTSA-N 1 0 315.461 3.265 10 0 DGAERO CC(C)[NH+](CCNC(=O)N1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000193071813 432445169 /nfs/dbraw/zinc/44/51/69/432445169.db2.gz IBFJIFVHMPZFDW-ZDUSSCGKSA-N 1 0 323.403 3.089 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000184930778 432445415 /nfs/dbraw/zinc/44/54/15/432445415.db2.gz ZPYULKQMNCJTNO-GJZGRUSLSA-N 1 0 315.461 3.128 10 0 DGAERO CCOc1ccc(C(C)=O)cc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261742444 432446385 /nfs/dbraw/zinc/44/63/85/432446385.db2.gz OEPAXZGRQFMXRJ-JWTNVVGKSA-N 1 0 316.445 3.003 10 0 DGAERO C[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1cccc(-n2ccnc2)c1 ZINC000193115844 432450764 /nfs/dbraw/zinc/45/07/64/432450764.db2.gz QHSNRUFDXJDSDT-MAUKXSAKSA-N 1 0 315.417 3.066 10 0 DGAERO Cn1cc(-c2cc(C[NH+]3CCC(c4ccccc4)CC3)on2)cn1 ZINC000184973943 432451459 /nfs/dbraw/zinc/45/14/59/432451459.db2.gz ZQRFOFNALSGKAS-UHFFFAOYSA-N 1 0 322.412 3.455 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2scnc2C2CCCC2)CC[N@@H+]1C ZINC000184976719 432452284 /nfs/dbraw/zinc/45/22/84/432452284.db2.gz IDHLPPFZUHFAME-TZMCWYRMSA-N 1 0 321.490 3.355 10 0 DGAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cc(F)cc(F)c1 ZINC000261826397 432452818 /nfs/dbraw/zinc/45/28/18/432452818.db2.gz YKKGMGCLVMCRAS-KRWDZBQOSA-N 1 0 318.367 3.120 10 0 DGAERO C[C@@H](c1ccccc1F)N(C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184984101 432453228 /nfs/dbraw/zinc/45/32/28/432453228.db2.gz MEHFUIXZBGUIBK-LBPRGKRZSA-N 1 0 314.364 3.407 10 0 DGAERO C[NH2+][C@@H](C)Cc1noc(-c2csc(-c3ccc(C)cc3)n2)n1 ZINC000261842730 432454691 /nfs/dbraw/zinc/45/46/91/432454691.db2.gz SDRIFLQYNCAIPL-NSHDSACASA-N 1 0 314.414 3.319 10 0 DGAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1F ZINC000261828973 432455123 /nfs/dbraw/zinc/45/51/23/432455123.db2.gz SSWNJSGILYRSPN-KRWDZBQOSA-N 1 0 318.367 3.120 10 0 DGAERO Cc1cnn(CC[NH2+][C@H]2CCc3ccc(Br)cc32)c1 ZINC000193164625 432455754 /nfs/dbraw/zinc/45/57/54/432455754.db2.gz FJVNGJZNOMGKLE-HNNXBMFYSA-N 1 0 320.234 3.231 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000261902403 432457577 /nfs/dbraw/zinc/45/75/77/432457577.db2.gz WKXZSUFLPYVOHK-TXEJJXNPSA-N 1 0 324.877 3.134 10 0 DGAERO C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(-c2cccnc2)cc1 ZINC000261885907 432458516 /nfs/dbraw/zinc/45/85/16/432458516.db2.gz SKEMSBCSQBJQKA-CVEARBPZSA-N 1 0 323.440 3.316 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(Cl)(Cl)Cl ZINC000184601858 432410949 /nfs/dbraw/zinc/41/09/49/432410949.db2.gz VLHRZEUUIZBMAC-LLVKDONJSA-N 1 0 310.656 3.416 10 0 DGAERO CO[C@H](C)c1nc(CN2CCC[C@H](n3cc(C)cn3)C2)cs1 ZINC000175204014 432411082 /nfs/dbraw/zinc/41/10/82/432411082.db2.gz FKJPYXGNZCGXLA-HIFRSBDPSA-N 1 0 320.462 3.193 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175229345 432413694 /nfs/dbraw/zinc/41/36/94/432413694.db2.gz DNTLJKLTQTTZCS-TZMCWYRMSA-N 1 0 323.412 3.171 10 0 DGAERO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)C2CCCC2)o1 ZINC000184641198 432416188 /nfs/dbraw/zinc/41/61/88/432416188.db2.gz FCJPSEOMGWREKK-LBPRGKRZSA-N 1 0 301.390 3.414 10 0 DGAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(C)s1 ZINC000192810293 432416715 /nfs/dbraw/zinc/41/67/15/432416715.db2.gz SRGMIMTXNUBKOJ-DZGCQCFKSA-N 1 0 316.474 3.475 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)CC2 ZINC000184657158 432417662 /nfs/dbraw/zinc/41/76/62/432417662.db2.gz ZNJUKCHUFNAYGS-WDEREUQCSA-N 1 0 322.815 3.299 10 0 DGAERO c1cnc(N2CCC[C@H]([NH2+][C@@H]3CCCc4ccccc43)C2)nc1 ZINC000192813121 432418300 /nfs/dbraw/zinc/41/83/00/432418300.db2.gz HJWRGRFPPZKNFV-FUHWJXTLSA-N 1 0 308.429 3.113 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(C)c1 ZINC000192814240 432418346 /nfs/dbraw/zinc/41/83/46/432418346.db2.gz KINNWJYMBZOCHJ-IAGOWNOFSA-N 1 0 310.445 3.413 10 0 DGAERO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCSC ZINC000175291924 432421249 /nfs/dbraw/zinc/42/12/49/432421249.db2.gz PRWWEFVQTPFFFU-QGZVFWFLSA-N 1 0 320.502 3.110 10 0 DGAERO CCc1cccc(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000153567570 432421675 /nfs/dbraw/zinc/42/16/75/432421675.db2.gz FPPVLXQUABRTEB-LJQANCHMSA-N 1 0 314.473 3.268 10 0 DGAERO O=C1[C@@H]([NH2+][C@H]2CCCc3occc32)CCCN1c1ccccc1 ZINC000192866519 432423576 /nfs/dbraw/zinc/42/35/76/432423576.db2.gz NUIVEMHBJOTMQN-IRXDYDNUSA-N 1 0 310.397 3.442 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(SC)c(OC)c1 ZINC000175334069 432424866 /nfs/dbraw/zinc/42/48/66/432424866.db2.gz SWHZZYBZDZTJNH-OAHLLOKOSA-N 1 0 308.491 3.333 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1C(C)C ZINC000175345443 432426349 /nfs/dbraw/zinc/42/63/49/432426349.db2.gz NMPCONNXUAMBTJ-INIZCTEOSA-N 1 0 317.477 3.165 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000175362979 432427854 /nfs/dbraw/zinc/42/78/54/432427854.db2.gz WBSCVWLGSKPXNO-MRXNPFEDSA-N 1 0 317.408 3.397 10 0 DGAERO COC[C@@](C)(CCO)[NH2+]Cc1sc2ccccc2c1Cl ZINC000175848429 432471259 /nfs/dbraw/zinc/47/12/59/432471259.db2.gz BHUBFEVAPKYWCP-OAHLLOKOSA-N 1 0 313.850 3.432 10 0 DGAERO CC[C@H](CC(=O)N1CCNC[C@@H]1c1ccccc1OC)C(C)C ZINC000262044819 432472087 /nfs/dbraw/zinc/47/20/87/432472087.db2.gz UITUNUMDJMNPTI-NVXWUHKLSA-N 1 0 318.461 3.240 10 0 DGAERO CCCn1cc(CNC(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000185159580 432473274 /nfs/dbraw/zinc/47/32/74/432473274.db2.gz XFXBOKMEXAKRPQ-UHFFFAOYSA-N 1 0 306.498 3.427 10 0 DGAERO CCC1(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCC1 ZINC000175879532 432474789 /nfs/dbraw/zinc/47/47/89/432474789.db2.gz XCVSILYNAQFZRB-CQSZACIVSA-N 1 0 305.422 3.048 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000262332573 432483293 /nfs/dbraw/zinc/48/32/93/432483293.db2.gz SPZVSLQQSRUINJ-KRWDZBQOSA-N 1 0 312.438 3.452 10 0 DGAERO Cc1nnc(CSCC[N@@H+](C)Cc2ccccc2)n1C1CC1 ZINC000193614998 432484035 /nfs/dbraw/zinc/48/40/35/432484035.db2.gz QZDHHKPGSASOFZ-UHFFFAOYSA-N 1 0 316.474 3.287 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1noc(C2CCCCC2)n1 ZINC000154234862 432484250 /nfs/dbraw/zinc/48/42/50/432484250.db2.gz CWXOEMXNTAQIAM-OAHLLOKOSA-N 1 0 306.454 3.033 10 0 DGAERO C[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC[C@H]1c1ccccc1 ZINC000262409215 432484589 /nfs/dbraw/zinc/48/45/89/432484589.db2.gz SHCUPWRMWOAJRV-UOVPBQLFSA-N 1 0 300.446 3.027 10 0 DGAERO Cc1cccc2c(NC[C@H](O)COCC(C)C)c(C)c[nH+]c12 ZINC000185276004 432485602 /nfs/dbraw/zinc/48/56/02/432485602.db2.gz LIJHPLNYGIYHOX-HNNXBMFYSA-N 1 0 302.418 3.297 10 0 DGAERO CSCc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000176010485 432486755 /nfs/dbraw/zinc/48/67/55/432486755.db2.gz XBJSJMXCYMPUGW-CJNGLKHVSA-N 1 0 321.490 3.496 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)NC1(CC)CCC1)c1ccco1 ZINC000176010734 432487350 /nfs/dbraw/zinc/48/73/50/432487350.db2.gz MIEOZHHGSIKLHQ-AWEZNQCLSA-N 1 0 307.438 3.294 10 0 DGAERO COCCOC1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000185310106 432488399 /nfs/dbraw/zinc/48/83/99/432488399.db2.gz ZWQDPGPBIFOQGS-UHFFFAOYSA-N 1 0 314.429 3.483 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2noc(C3CCCCC3)n2)CC[N@@H+]1C ZINC000154295120 432489741 /nfs/dbraw/zinc/48/97/41/432489741.db2.gz YLUOGLDIPXVMHW-HIFRSBDPSA-N 1 0 306.454 3.032 10 0 DGAERO C[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1cc2ccccc2o1 ZINC000262555259 432490992 /nfs/dbraw/zinc/49/09/92/432490992.db2.gz UBQLNUMGZQKDMR-LRDDRELGSA-N 1 0 300.402 3.388 10 0 DGAERO [NH3+][C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000262566363 432491791 /nfs/dbraw/zinc/49/17/91/432491791.db2.gz DGQMBOMTVKWZLS-BRWVUGGUSA-N 1 0 314.816 3.260 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H](CO)CC(C)C ZINC000185345055 432493028 /nfs/dbraw/zinc/49/30/28/432493028.db2.gz UEPGKJFZXGNYSN-KRWDZBQOSA-N 1 0 320.477 3.089 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000185367406 432495074 /nfs/dbraw/zinc/49/50/74/432495074.db2.gz LDMWXIAMAONDDC-HNNXBMFYSA-N 1 0 306.450 3.087 10 0 DGAERO CC1CC[NH+](CCCCNC(=O)NCCc2ccsc2)CC1 ZINC000193742369 432495197 /nfs/dbraw/zinc/49/51/97/432495197.db2.gz QSCXKBTUMHNUGE-UHFFFAOYSA-N 1 0 323.506 3.102 10 0 DGAERO [NH3+]C1(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CCCC1 ZINC000262659859 432496027 /nfs/dbraw/zinc/49/60/27/432496027.db2.gz WXPJNKNTLZZZHZ-UHFFFAOYSA-N 1 0 320.396 3.440 10 0 DGAERO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC([NH+](C)C)CC1 ZINC000176340540 432512849 /nfs/dbraw/zinc/51/28/49/432512849.db2.gz BASZFNWOUFQEMW-OAHLLOKOSA-N 1 0 324.852 3.050 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c(F)cccc1F ZINC000154447348 432499991 /nfs/dbraw/zinc/49/99/91/432499991.db2.gz KIRIYHGRQHIERB-GFCCVEGCSA-N 1 0 311.376 3.207 10 0 DGAERO C[C@H]1[NH2+]CCN(C(=O)c2cccc(OCc3ccccc3)c2)[C@H]1C ZINC000262734438 432500208 /nfs/dbraw/zinc/50/02/08/432500208.db2.gz CDMQGWIFAVPERG-CVEARBPZSA-N 1 0 324.424 3.088 10 0 DGAERO Cc1ccc(F)cc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000154502379 432503251 /nfs/dbraw/zinc/50/32/51/432503251.db2.gz BJFBXNCJJGQANV-OAHLLOKOSA-N 1 0 307.413 3.376 10 0 DGAERO CCCc1nc(C)c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000193875133 432505012 /nfs/dbraw/zinc/50/50/12/432505012.db2.gz AVJMVVKRHMIWPR-ZDUSSCGKSA-N 1 0 311.495 3.110 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(C)(C)CCCc1ccccc1 ZINC000262835018 432505781 /nfs/dbraw/zinc/50/57/81/432505781.db2.gz QTOCPTSMIGDOCD-NVXWUHKLSA-N 1 0 302.462 3.150 10 0 DGAERO CCCn1cc(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cn1 ZINC000261913428 432460470 /nfs/dbraw/zinc/46/04/70/432460470.db2.gz XWNWZNCWNKZZNZ-QGZVFWFLSA-N 1 0 318.852 3.093 10 0 DGAERO Fc1cccc(Cc2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)c1 ZINC000261928912 432461253 /nfs/dbraw/zinc/46/12/53/432461253.db2.gz JEHCKZVRVRHRRF-SNPRPXQTSA-N 1 0 301.365 3.393 10 0 DGAERO COc1ccc2c(c1)CCC[C@@H]2Cc1nc(C2([NH3+])CCC2)no1 ZINC000261953075 432464075 /nfs/dbraw/zinc/46/40/75/432464075.db2.gz OHHQGRSLUCCWFA-CYBMUJFWSA-N 1 0 313.401 3.079 10 0 DGAERO CCC[C@@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1cccnc1 ZINC000185096483 432465226 /nfs/dbraw/zinc/46/52/26/432465226.db2.gz OACHKVSRXUSOFM-IAGOWNOFSA-N 1 0 300.402 3.255 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)c1ccnn1C ZINC000193313997 432465669 /nfs/dbraw/zinc/46/56/69/432465669.db2.gz GUDKRZNNGWMSPI-QFBILLFUSA-N 1 0 312.461 3.125 10 0 DGAERO [NH3+][C@H]1CCCCCC[C@@H]1c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000261974155 432466083 /nfs/dbraw/zinc/46/60/83/432466083.db2.gz IOEXLPXKULKXJX-GJZGRUSLSA-N 1 0 313.401 3.437 10 0 DGAERO CCCCOC[C@H](O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000193364599 432468109 /nfs/dbraw/zinc/46/81/09/432468109.db2.gz IYOXSVYOINJCCP-GOSISDBHSA-N 1 0 307.409 3.092 10 0 DGAERO Cc1nc(C2CCCC2)sc1-c1nc(C2([NH3+])CCC2)no1 ZINC000261991278 432468503 /nfs/dbraw/zinc/46/85/03/432468503.db2.gz SJSLEUSVZARTPL-UHFFFAOYSA-N 1 0 304.419 3.497 10 0 DGAERO COc1ccc([C@H](C)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000175824804 432468608 /nfs/dbraw/zinc/46/86/08/432468608.db2.gz KTCYXXSTZUOXFQ-WBVHZDCISA-N 1 0 320.477 3.281 10 0 DGAERO CCCN(Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000262003108 432468634 /nfs/dbraw/zinc/46/86/34/432468634.db2.gz VJHVAPWDFWKLBI-MRXNPFEDSA-N 1 0 303.381 3.055 10 0 DGAERO Cc1cc(Br)cc2c1CN(C[C@]1(C)CC[NH2+]C1)CC2 ZINC000262029452 432469854 /nfs/dbraw/zinc/46/98/54/432469854.db2.gz NXTSOGYFIWXNTD-MRXNPFEDSA-N 1 0 323.278 3.115 10 0 DGAERO CC[C@H]([NH2+]CCC(=O)NC(C)C)c1nc(C(F)(F)F)cs1 ZINC000185964529 432550712 /nfs/dbraw/zinc/55/07/12/432550712.db2.gz VXFMKRPDLAUPKT-VIFPVBQESA-N 1 0 323.384 3.117 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000155419077 432554485 /nfs/dbraw/zinc/55/44/85/432554485.db2.gz QLGAEOFISWBQKW-SJLPKXTDSA-N 1 0 316.445 3.249 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000176837408 432557075 /nfs/dbraw/zinc/55/70/75/432557075.db2.gz IEJMXYKMCMWMGE-KEYYUXOJSA-N 1 0 321.440 3.257 10 0 DGAERO CC[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000155492123 432558166 /nfs/dbraw/zinc/55/81/66/432558166.db2.gz AYSABWCAJWPOCE-UONOGXRCSA-N 1 0 324.494 3.158 10 0 DGAERO COCc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186147296 432562040 /nfs/dbraw/zinc/56/20/40/432562040.db2.gz DLCJDCVCWWMTBR-HNNXBMFYSA-N 1 0 319.449 3.219 10 0 DGAERO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000176335039 432513398 /nfs/dbraw/zinc/51/33/98/432513398.db2.gz JHUXPZVJNDAXCW-OAHLLOKOSA-N 1 0 318.461 3.108 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2scnc2c1 ZINC000176335502 432513520 /nfs/dbraw/zinc/51/35/20/432513520.db2.gz RZKJZMYJIJOZII-ZDUSSCGKSA-N 1 0 318.446 3.244 10 0 DGAERO C=Cn1cc(C[NH+]2CCC(Nc3ccccc3F)CC2)cn1 ZINC000193994520 432515219 /nfs/dbraw/zinc/51/52/19/432515219.db2.gz HJAKWNGZSDRRPH-UHFFFAOYSA-N 1 0 300.381 3.199 10 0 DGAERO CN(Cc1nnc(C2CC2)n1C)Cc1ccc(C(F)(F)F)cc1 ZINC000154702710 432516733 /nfs/dbraw/zinc/51/67/33/432516733.db2.gz BGTFKRPIQRWORX-UHFFFAOYSA-N 1 0 324.350 3.343 10 0 DGAERO Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)Cc2ccccc2)o1 ZINC000194021274 432517600 /nfs/dbraw/zinc/51/76/00/432517600.db2.gz LTFIYYFBWLUFIG-HUUCEWRRSA-N 1 0 300.402 3.286 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000194638123 432564215 /nfs/dbraw/zinc/56/42/15/432564215.db2.gz NJQRIGALQUEUIW-AWEZNQCLSA-N 1 0 315.442 3.024 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000185656846 432520987 /nfs/dbraw/zinc/52/09/87/432520987.db2.gz WULHGOYIEFPRDB-OCCSQVGLSA-N 1 0 300.402 3.296 10 0 DGAERO C[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1ccc(F)cc1F ZINC000263123570 432521613 /nfs/dbraw/zinc/52/16/13/432521613.db2.gz BDBNIMMZNDESFP-HYSWKAIVSA-N 1 0 310.388 3.092 10 0 DGAERO Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])C2)n1 ZINC000263172324 432523938 /nfs/dbraw/zinc/52/39/38/432523938.db2.gz FWJWURLMNAVOMQ-CKEIUWERSA-N 1 0 321.490 3.065 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C(F)F)cc1 ZINC000185688506 432524021 /nfs/dbraw/zinc/52/40/21/432524021.db2.gz DYOTXCCUZFOSRQ-SWLSCSKDSA-N 1 0 323.387 3.002 10 0 DGAERO CCCn1cc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)cn1 ZINC000185686177 432524474 /nfs/dbraw/zinc/52/44/74/432524474.db2.gz KKUSOPJXRXVNQG-MAUKXSAKSA-N 1 0 300.450 3.074 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1cccc(Cl)c1Cl ZINC000194110664 432525223 /nfs/dbraw/zinc/52/52/23/432525223.db2.gz QEKAXLYYGPOMJC-NSHDSACASA-N 1 0 317.260 3.382 10 0 DGAERO Cc1cnc(-c2cccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])c2)o1 ZINC000263194647 432525476 /nfs/dbraw/zinc/52/54/76/432525476.db2.gz IGSUOERLEMXNQG-YJBOKZPZSA-N 1 0 313.401 3.496 10 0 DGAERO Cc1cnc(-c2cccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])c2)o1 ZINC000263194645 432525577 /nfs/dbraw/zinc/52/55/77/432525577.db2.gz IGSUOERLEMXNQG-QAPCUYQASA-N 1 0 313.401 3.496 10 0 DGAERO CSCc1cc(F)ccc1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263218845 432527574 /nfs/dbraw/zinc/52/75/74/432527574.db2.gz LMVJRVMUUDWTRU-RDJZCZTQSA-N 1 0 324.465 3.213 10 0 DGAERO COC(=O)c1cc(CN2CCC[C@@H](C(F)(F)F)C2)oc1C ZINC000194270397 432536922 /nfs/dbraw/zinc/53/69/22/432536922.db2.gz NIVIQLQJRURAPT-SNVBAGLBSA-N 1 0 305.296 3.149 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)C(C)C ZINC000185864450 432539468 /nfs/dbraw/zinc/53/94/68/432539468.db2.gz NPSBTRKXFFWISD-IRXDYDNUSA-N 1 0 323.477 3.028 10 0 DGAERO CC(C)C[C@H](CNC(=O)C/C=C/c1cccc(F)c1)[NH+](C)C ZINC000176655011 432540271 /nfs/dbraw/zinc/54/02/71/432540271.db2.gz SANCYDWNIYERRD-DBWMJRBXSA-N 1 0 306.425 3.322 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000194317527 432542087 /nfs/dbraw/zinc/54/20/87/432542087.db2.gz CZBAEQVEHVMSRY-ZDUSSCGKSA-N 1 0 315.339 3.311 10 0 DGAERO CN(C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1ccc(F)cc1 ZINC000194364050 432544818 /nfs/dbraw/zinc/54/48/18/432544818.db2.gz LDZQWUWAMSQCBI-KRWDZBQOSA-N 1 0 315.392 3.274 10 0 DGAERO C[C@H](CC1CCCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000194626750 432564924 /nfs/dbraw/zinc/56/49/24/432564924.db2.gz XIBNYSMXZDNHLS-BFYDXBDKSA-N 1 0 309.498 3.469 10 0 DGAERO CC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000156830849 432608570 /nfs/dbraw/zinc/60/85/70/432608570.db2.gz PLKUVRLRDYPWRV-QGZVFWFLSA-N 1 0 303.427 3.263 10 0 DGAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177296337 432609594 /nfs/dbraw/zinc/60/95/94/432609594.db2.gz AJXSVHGHVYDTEQ-UONOGXRCSA-N 1 0 309.417 3.326 10 0 DGAERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000177312618 432610112 /nfs/dbraw/zinc/61/01/12/432610112.db2.gz QHURESQFFXQNNN-UKRRQHHQSA-N 1 0 314.433 3.076 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)N(C)Cc2ccco2)cc1 ZINC000156913248 432610593 /nfs/dbraw/zinc/61/05/93/432610593.db2.gz LGUOOAUJSLSTMN-INIZCTEOSA-N 1 0 314.429 3.109 10 0 DGAERO C[C@@H]1C[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC000195167657 432610849 /nfs/dbraw/zinc/61/08/49/432610849.db2.gz NGGHBFWHZXDVHV-CJNGLKHVSA-N 1 0 314.495 3.071 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000156946282 432611647 /nfs/dbraw/zinc/61/16/47/432611647.db2.gz AFPLUQILCVHAOS-ROUUACIJSA-N 1 0 300.446 3.123 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(COc2ccccc2)cc1 ZINC000194716326 432571036 /nfs/dbraw/zinc/57/10/36/432571036.db2.gz PYUBEUYCHCKBFH-SFHVURJKSA-N 1 0 324.424 3.090 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2cccc3ccccc32)[C@@H](C)C1 ZINC000155757278 432571896 /nfs/dbraw/zinc/57/18/96/432571896.db2.gz CGMDIWLTIYJNSJ-KXBFYZLASA-N 1 0 310.441 3.227 10 0 DGAERO C[C@H](c1nc(C(C)(C)C)no1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194733410 432572074 /nfs/dbraw/zinc/57/20/74/432572074.db2.gz JJPBSBKWOLPWRK-CQSZACIVSA-N 1 0 320.481 3.236 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2ccccc2nc1C ZINC000176989112 432572679 /nfs/dbraw/zinc/57/26/79/432572679.db2.gz POCPZKSZFZCEFY-INIZCTEOSA-N 1 0 311.429 3.100 10 0 DGAERO CCc1noc(C)c1NC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000155767582 432573054 /nfs/dbraw/zinc/57/30/54/432573054.db2.gz BYZGIOGPFNQLKT-CQSZACIVSA-N 1 0 322.453 3.035 10 0 DGAERO CCc1noc(C)c1NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000155762135 432573694 /nfs/dbraw/zinc/57/36/94/432573694.db2.gz NPWLGAFUKBTDAW-XQQFMLRXSA-N 1 0 322.453 3.033 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](SC)c1ccccc1 ZINC000177024317 432575162 /nfs/dbraw/zinc/57/51/62/432575162.db2.gz ZGCXOPSBZJQSHT-JKSUJKDBSA-N 1 0 306.475 3.033 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1C(F)(F)F ZINC000177025713 432576777 /nfs/dbraw/zinc/57/67/77/432576777.db2.gz XSRZDBRBJQWOKB-GFCCVEGCSA-N 1 0 314.351 3.262 10 0 DGAERO CCC[C@H](C(=O)N1CCC[C@@H](c2nc(CC)cs2)C1)[NH+](C)C ZINC000155905181 432580259 /nfs/dbraw/zinc/58/02/59/432580259.db2.gz CORXLLYALBXQCK-UKRRQHHQSA-N 1 0 323.506 3.142 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Br)c2)CCN1C ZINC000177059313 432581894 /nfs/dbraw/zinc/58/18/94/432581894.db2.gz KJKRGAWHIKMKQI-DOMZBBRYSA-N 1 0 311.267 3.364 10 0 DGAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000155942377 432582275 /nfs/dbraw/zinc/58/22/75/432582275.db2.gz CUJXGPUSHKIXFO-GOEBONIOSA-N 1 0 302.466 3.250 10 0 DGAERO COc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1Cl ZINC000177096720 432585000 /nfs/dbraw/zinc/58/50/00/432585000.db2.gz WRIBGCMNXDELKD-DGCLKSJQSA-N 1 0 323.824 3.049 10 0 DGAERO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)Nc1ccccc1F ZINC000194924764 432587854 /nfs/dbraw/zinc/58/78/54/432587854.db2.gz BDHYKRJTGYZUCB-QGZVFWFLSA-N 1 0 308.397 3.045 10 0 DGAERO CC(C)[C@]1(C)C[C@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000186406757 432592829 /nfs/dbraw/zinc/59/28/29/432592829.db2.gz LNQGFFCUQRJCDZ-YJBOKZPZSA-N 1 0 306.425 3.186 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2ccoc2)n1 ZINC000177184574 432596226 /nfs/dbraw/zinc/59/62/26/432596226.db2.gz VXIXYZZGBVYGHF-JKSUJKDBSA-N 1 0 317.458 3.462 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000177207281 432596647 /nfs/dbraw/zinc/59/66/47/432596647.db2.gz LBEYZVXGBNPOMS-KDOFPFPSSA-N 1 0 311.429 3.140 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1-n1cccn1 ZINC000177211024 432599684 /nfs/dbraw/zinc/59/96/84/432599684.db2.gz WFWVWAVDCVYKLR-YOEHRIQHSA-N 1 0 321.428 3.334 10 0 DGAERO COc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c2ccccc12 ZINC000195082015 432599959 /nfs/dbraw/zinc/59/99/59/432599959.db2.gz CNDGTERQVZVRQX-HNNXBMFYSA-N 1 0 324.424 3.159 10 0 DGAERO CCc1ccc(CN(Cc2nnc(C3CC3)n2C)C2CC2)cc1 ZINC000195074954 432600319 /nfs/dbraw/zinc/60/03/19/432600319.db2.gz IDRKLJZNPWKUCE-UHFFFAOYSA-N 1 0 310.445 3.420 10 0 DGAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000177244725 432601768 /nfs/dbraw/zinc/60/17/68/432601768.db2.gz TTYZOIHEVRMBSV-OXQOHEQNSA-N 1 0 312.457 3.337 10 0 DGAERO Cc1oc(-c2ccccc2)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000186683444 432622292 /nfs/dbraw/zinc/62/22/92/432622292.db2.gz QKTCVNZZFDPKJC-KRWDZBQOSA-N 1 0 324.424 3.484 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(F)c(OC)cc1C ZINC000186724568 432625446 /nfs/dbraw/zinc/62/54/46/432625446.db2.gz ZZEADVUKRJHFNG-CYBMUJFWSA-N 1 0 323.412 3.091 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000177450955 432625494 /nfs/dbraw/zinc/62/54/94/432625494.db2.gz HEKMAKZHLNXKCA-MSOLQXFVSA-N 1 0 302.462 3.307 10 0 DGAERO CN(CC[N@H+](C)C1CC1)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000186764870 432628057 /nfs/dbraw/zinc/62/80/57/432628057.db2.gz IFEKCYVJFXIJQB-UHFFFAOYSA-N 1 0 320.399 3.298 10 0 DGAERO CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177475842 432628454 /nfs/dbraw/zinc/62/84/54/432628454.db2.gz JHBUQOLXHCNWOW-MSOLQXFVSA-N 1 0 317.477 3.133 10 0 DGAERO CC(C)[C@@H](SCC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000157718664 432628498 /nfs/dbraw/zinc/62/84/98/432628498.db2.gz VEWUUJBDFGFXDK-GDBMZVCRSA-N 1 0 308.491 3.183 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)ccc1F ZINC000177501334 432631178 /nfs/dbraw/zinc/63/11/78/432631178.db2.gz FVUZUOPFUDEANQ-QWHCGFSZSA-N 1 0 309.360 3.055 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)cc(F)c1 ZINC000177516924 432633445 /nfs/dbraw/zinc/63/34/45/432633445.db2.gz BOZHBUYTCYNAKE-HUUCEWRRSA-N 1 0 309.360 3.055 10 0 DGAERO CC(C)OCCN1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000157978852 432634908 /nfs/dbraw/zinc/63/49/08/432634908.db2.gz SOEYLVCWCGHVQV-IBGZPJMESA-N 1 0 302.462 3.153 10 0 DGAERO CCc1cccc(CC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000158180205 432640557 /nfs/dbraw/zinc/64/05/57/432640557.db2.gz IUUKKRHYKWTPKO-KRWDZBQOSA-N 1 0 316.489 3.420 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000158293628 432642060 /nfs/dbraw/zinc/64/20/60/432642060.db2.gz RUJFAPKMAOWZKD-INIZCTEOSA-N 1 0 308.441 3.196 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000158464418 432646087 /nfs/dbraw/zinc/64/60/87/432646087.db2.gz FMYBEHANNAHNAE-KRWDZBQOSA-N 1 0 319.445 3.379 10 0 DGAERO Cc1cccc([C@H](C)[NH2+]C[C@H](O)COCc2cccs2)c1 ZINC000157337593 432618622 /nfs/dbraw/zinc/61/86/22/432618622.db2.gz WWJFLMRQJZFXOQ-HOCLYGCPSA-N 1 0 305.443 3.285 10 0 DGAERO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CCC[NH+]1CCCC1 ZINC000153673866 288395072 /nfs/dbraw/zinc/39/50/72/288395072.db2.gz LMCJDFIJTYEBSL-AOIWGVFYSA-N 1 0 302.462 3.323 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H]3CCc4ccc(F)cc43)C2)no1 ZINC000177698780 432652150 /nfs/dbraw/zinc/65/21/50/432652150.db2.gz VMWCKJRJMNQQRN-SUMWQHHRSA-N 1 0 315.392 3.459 10 0 DGAERO [NH3+]C[C@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1 ZINC000217379979 432654296 /nfs/dbraw/zinc/65/42/96/432654296.db2.gz CXCZPHUOZMSYCT-JTQLQIEISA-N 1 0 309.282 3.363 10 0 DGAERO Cc1ccc(C[NH2+]C(C)(C)C(C)(C)O)cc1Br ZINC000218956060 432660996 /nfs/dbraw/zinc/66/09/96/432660996.db2.gz BQGQWSRUQCFLPN-UHFFFAOYSA-N 1 0 300.240 3.397 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccoc1 ZINC000178086201 432693884 /nfs/dbraw/zinc/69/38/84/432693884.db2.gz BNFRTWXSGSCQRT-KFWWJZLASA-N 1 0 315.417 3.139 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3cccs3)o2)C1 ZINC000187937252 432695621 /nfs/dbraw/zinc/69/56/21/432695621.db2.gz CMIMTHRQKOPGAS-MLGOLLRUSA-N 1 0 306.431 3.386 10 0 DGAERO C[C@@H](Nc1cc(N2CCOCC2)ncn1)c1cccc(Cl)c1 ZINC000265410936 432697515 /nfs/dbraw/zinc/69/75/15/432697515.db2.gz DXKNCGZYZXVRLH-GFCCVEGCSA-N 1 0 318.808 3.140 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)C2CCCC2)cc1 ZINC000188043604 432700519 /nfs/dbraw/zinc/70/05/19/432700519.db2.gz GPFRAUJQLYFUEC-HKUYNNGSSA-N 1 0 300.446 3.437 10 0 DGAERO OCCC1(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000188069295 432702255 /nfs/dbraw/zinc/70/22/55/432702255.db2.gz ZHOKWHKZJQKDRR-KRWDZBQOSA-N 1 0 300.377 3.062 10 0 DGAERO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1(CCO)CC1 ZINC000188062518 432702804 /nfs/dbraw/zinc/70/28/04/432702804.db2.gz PLEZNANWDMHVNH-GFCCVEGCSA-N 1 0 317.458 3.327 10 0 DGAERO Cc1ccc2ncnc(N3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC000265575919 432710770 /nfs/dbraw/zinc/71/07/70/432710770.db2.gz MJCSQWAZVLASEX-MRXNPFEDSA-N 1 0 310.445 3.393 10 0 DGAERO OCC[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000227568554 432711292 /nfs/dbraw/zinc/71/12/92/432711292.db2.gz OTSHGTPARQHCKU-LBPRGKRZSA-N 1 0 306.793 3.199 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cncc(F)c1 ZINC000228579112 432719226 /nfs/dbraw/zinc/71/92/26/432719226.db2.gz OMLPLVMQYGOCAR-CHWSQXEVSA-N 1 0 323.412 3.128 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC000178325142 432719835 /nfs/dbraw/zinc/71/98/35/432719835.db2.gz YGSUTHIOKVNZCA-HNNXBMFYSA-N 1 0 321.371 3.458 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1F ZINC000159128837 432671905 /nfs/dbraw/zinc/67/19/05/432671905.db2.gz ASGCXHXGUHELME-OAHLLOKOSA-N 1 0 307.413 3.336 10 0 DGAERO O=c1ccccn1Cc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000177929317 432674093 /nfs/dbraw/zinc/67/40/93/432674093.db2.gz RDZULDJBDDLJQC-UHFFFAOYSA-N 1 0 308.425 3.175 10 0 DGAERO CCC[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccn1 ZINC000159177358 432674365 /nfs/dbraw/zinc/67/43/65/432674365.db2.gz WBWFLNFRGHCAOD-APWZRJJASA-N 1 0 317.477 3.013 10 0 DGAERO OCCCC[C@@H](CO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000223474673 432676795 /nfs/dbraw/zinc/67/67/95/432676795.db2.gz OETCNGFPCQBILO-FQEVSTJZSA-N 1 0 313.441 3.212 10 0 DGAERO CC(C)[C@@H](CSc1ccccc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187711185 432678041 /nfs/dbraw/zinc/67/80/41/432678041.db2.gz VYEGZHPIJOCETE-MRXNPFEDSA-N 1 0 318.442 3.285 10 0 DGAERO Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cnc1Cl ZINC000177964856 432678695 /nfs/dbraw/zinc/67/86/95/432678695.db2.gz XQKJYBVRNVFPAF-AWEZNQCLSA-N 1 0 322.840 3.136 10 0 DGAERO CCc1ccc([C@H]([NH2+]Cc2cc(C(N)=O)co2)C(C)C)cc1 ZINC000187729470 432679435 /nfs/dbraw/zinc/67/94/35/432679435.db2.gz KKCQUDWIAAFBGN-QGZVFWFLSA-N 1 0 300.402 3.428 10 0 DGAERO O=C(NCC[NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000178020071 432684668 /nfs/dbraw/zinc/68/46/68/432684668.db2.gz FXGYDFIISCGBSA-IBGZPJMESA-N 1 0 308.425 3.027 10 0 DGAERO COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000187845066 432688363 /nfs/dbraw/zinc/68/83/63/432688363.db2.gz QDTSFBSHVGPLON-RHSMWYFYSA-N 1 0 307.434 3.320 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc2ccccc2o1 ZINC000178057642 432689496 /nfs/dbraw/zinc/68/94/96/432689496.db2.gz MBMNNJZDURTRCP-ZDUSSCGKSA-N 1 0 319.368 3.259 10 0 DGAERO O=C(Nc1ccc2ncsc2c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000225384351 432689970 /nfs/dbraw/zinc/68/99/70/432689970.db2.gz AQTULAYMLKHFQN-JKOKRWQUSA-N 1 0 301.415 3.156 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000178527974 432748405 /nfs/dbraw/zinc/74/84/05/432748405.db2.gz PRLXFVOQWQQFDZ-CZUORRHYSA-N 1 0 305.393 3.477 10 0 DGAERO CC(C)(C)c1ccc(CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000236585582 432749776 /nfs/dbraw/zinc/74/97/76/432749776.db2.gz HJLRHVOQHPBGQS-RDJZCZTQSA-N 1 0 302.462 3.160 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)[nH]c3ccc(Cl)cc32)C1 ZINC000178535698 432750590 /nfs/dbraw/zinc/75/05/90/432750590.db2.gz LJGOFGLTKCYIGT-CYBMUJFWSA-N 1 0 319.836 3.344 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@@H](C)C(C)C)ccc1S(C)(=O)=O ZINC000178580488 432753748 /nfs/dbraw/zinc/75/37/48/432753748.db2.gz HMNDWFOAPXYHTQ-OLZOCXBDSA-N 1 0 313.463 3.041 10 0 DGAERO COc1ccc(CC2CC[NH+](CCOCC(F)F)CC2)cc1 ZINC000188969576 432755870 /nfs/dbraw/zinc/75/58/70/432755870.db2.gz FKMOYNMIEMYLFB-UHFFFAOYSA-N 1 0 313.388 3.231 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000236688685 432756983 /nfs/dbraw/zinc/75/69/83/432756983.db2.gz AEVOGKJFXAWRIT-UHFFFAOYSA-N 1 0 311.429 3.130 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@H]1CCCc2ccccc21 ZINC000236830669 432767863 /nfs/dbraw/zinc/76/78/63/432767863.db2.gz AOBUOAWJDDUVDE-SJLPKXTDSA-N 1 0 302.462 3.328 10 0 DGAERO CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000189233465 432771621 /nfs/dbraw/zinc/77/16/21/432771621.db2.gz LZUCISBSHSNHLE-RISCZKNCSA-N 1 0 313.873 3.177 10 0 DGAERO FC(F)COCC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000189269142 432773732 /nfs/dbraw/zinc/77/37/32/432773732.db2.gz FTQDASBBYIXYGT-UHFFFAOYSA-N 1 0 324.415 3.043 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)CC[C@@H]1C ZINC000189306521 432778300 /nfs/dbraw/zinc/77/83/00/432778300.db2.gz ZKNNBDYDLBGQSN-IFXJQAMLSA-N 1 0 313.445 3.346 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC[NH+]1CCCCC1 ZINC000178409388 432731335 /nfs/dbraw/zinc/73/13/35/432731335.db2.gz MPDNKDSLJMKKGP-HNNXBMFYSA-N 1 0 306.498 3.473 10 0 DGAERO Cc1ccc(OCC[N@H+](C)CCOCC(F)(F)C(F)F)cc1 ZINC000188643280 432737480 /nfs/dbraw/zinc/73/74/80/432737480.db2.gz KFNKKOHKHOZYJL-UHFFFAOYSA-N 1 0 323.330 3.223 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccoc3)C2)c1 ZINC000178466215 432741111 /nfs/dbraw/zinc/74/11/11/432741111.db2.gz QVLIPZRQHQSTIA-HUUCEWRRSA-N 1 0 300.402 3.465 10 0 DGAERO O=C(NCC[NH2+][C@H]1CCSc2ccccc21)c1ccccc1 ZINC000162513968 432825807 /nfs/dbraw/zinc/82/58/07/432825807.db2.gz PTSAAHJOGQAPLX-INIZCTEOSA-N 1 0 312.438 3.243 10 0 DGAERO C[C@@H](CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1F ZINC000245387533 432825856 /nfs/dbraw/zinc/82/58/56/432825856.db2.gz YFQKMPBXGFDYHS-GJZGRUSLSA-N 1 0 304.409 3.016 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1c(C)cccc1C ZINC000245429536 432829863 /nfs/dbraw/zinc/82/98/63/432829863.db2.gz KOLXLBIBVKXGSI-HOTGVXAUSA-N 1 0 301.434 3.394 10 0 DGAERO COC[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)C(C)C ZINC000162668254 432831186 /nfs/dbraw/zinc/83/11/86/432831186.db2.gz NFIXLZVLHBKBJC-IBGZPJMESA-N 1 0 321.461 3.143 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[C@@H](C)c1ccccc1 ZINC000245464152 432834377 /nfs/dbraw/zinc/83/43/77/432834377.db2.gz HRKVNIAZKVFQOC-RYRKJORJSA-N 1 0 315.461 3.058 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000245469425 432835618 /nfs/dbraw/zinc/83/56/18/432835618.db2.gz LTXJSYKBNXTMNC-BBRMVZONSA-N 1 0 315.392 3.149 10 0 DGAERO CC(=O)c1c(F)cccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000266779658 432786220 /nfs/dbraw/zinc/78/62/20/432786220.db2.gz ZXDFTXXPGQVAPP-CABCVRRESA-N 1 0 304.409 3.480 10 0 DGAERO CCCCc1noc([C@@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000245499386 432838345 /nfs/dbraw/zinc/83/83/45/432838345.db2.gz YACJCFBVFORLLX-OAGGEKHMSA-N 1 0 320.481 3.420 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000161704657 432793118 /nfs/dbraw/zinc/79/31/18/432793118.db2.gz INYYLWZXCPGDJB-RRFJBIMHSA-N 1 0 306.475 3.151 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 ZINC000179015997 432797063 /nfs/dbraw/zinc/79/70/63/432797063.db2.gz SXWFAHDZABHTBF-IRXDYDNUSA-N 1 0 313.376 3.393 10 0 DGAERO CCN(CCc1nccs1)Cc1nc(-c2cccs2)no1 ZINC000179036789 432798546 /nfs/dbraw/zinc/79/85/46/432798546.db2.gz WFAMMXGEOCEMED-UHFFFAOYSA-N 1 0 320.443 3.319 10 0 DGAERO Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC000237811673 432800901 /nfs/dbraw/zinc/80/09/01/432800901.db2.gz ROXYBUUZEGHTLF-RTBURBONSA-N 1 0 308.425 3.406 10 0 DGAERO Cc1csc([C@@H]2CCCN(C(=O)CCCCCC[NH3+])C2)n1 ZINC000237818794 432801811 /nfs/dbraw/zinc/80/18/11/432801811.db2.gz HUYCGNVQVGDLPP-CQSZACIVSA-N 1 0 309.479 3.067 10 0 DGAERO [NH3+]Cc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000237963270 432805236 /nfs/dbraw/zinc/80/52/36/432805236.db2.gz KUSCSPTUDMNKOD-UHFFFAOYSA-N 1 0 314.816 3.260 10 0 DGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(c2ccccc2)CC1 ZINC000237972618 432807537 /nfs/dbraw/zinc/80/75/37/432807537.db2.gz LKGYMZFUIUKJMZ-FHWLQOOXSA-N 1 0 312.457 3.313 10 0 DGAERO CCC[C@@H](C(=O)Nc1nc(-c2cccc(O)c2)cs1)[NH+](C)C ZINC000162034925 432808710 /nfs/dbraw/zinc/80/87/10/432808710.db2.gz GUHNKNCTFVSYRD-AWEZNQCLSA-N 1 0 319.430 3.185 10 0 DGAERO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000159055801 288693735 /nfs/dbraw/zinc/69/37/35/288693735.db2.gz QSOZKVBFIWKJEX-CABCVRRESA-N 1 0 311.433 3.382 10 0 DGAERO [NH3+]CCCCNC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000238015740 432809821 /nfs/dbraw/zinc/80/98/21/432809821.db2.gz ICVYEBGRZQUFRE-UHFFFAOYSA-N 1 0 324.468 3.333 10 0 DGAERO O=C(NCc1cccc2ccccc21)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238027286 432810016 /nfs/dbraw/zinc/81/00/16/432810016.db2.gz DZMUAQAOQLKBNK-MNEFBYGVSA-N 1 0 308.425 3.377 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2c(F)cccc2F)[C@@H](C)C1 ZINC000245781372 432862820 /nfs/dbraw/zinc/86/28/20/432862820.db2.gz MFIVDYJPQUJGEK-XEZPLFJOSA-N 1 0 324.415 3.257 10 0 DGAERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000245804337 432864409 /nfs/dbraw/zinc/86/44/09/432864409.db2.gz YFLMRFCYZAMYJW-ZIAGYGMSSA-N 1 0 321.465 3.072 10 0 DGAERO Cc1ccc(C)c([C@@H]2C[N@H+](CCCn3ccnc3)[C@@H](C)CO2)c1 ZINC000245920423 432870747 /nfs/dbraw/zinc/87/07/47/432870747.db2.gz XOLUSWKWPIXWKQ-HKUYNNGSSA-N 1 0 313.445 3.352 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000245937699 432871642 /nfs/dbraw/zinc/87/16/42/432871642.db2.gz SCGDHYLQINVPAA-ITKAJJHTSA-N 1 0 322.452 3.494 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245970519 432873192 /nfs/dbraw/zinc/87/31/92/432873192.db2.gz FKORLIUCKXMUPY-YOEHRIQHSA-N 1 0 321.440 3.006 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)cc(F)c1 ZINC000245986004 432873781 /nfs/dbraw/zinc/87/37/81/432873781.db2.gz CBLXXVZUDJWSAF-CVEARBPZSA-N 1 0 305.397 3.225 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@H](Nc2ccccc2)C1)c1c(F)cccc1F ZINC000246024249 432874640 /nfs/dbraw/zinc/87/46/40/432874640.db2.gz QJQKQSLDEPHEMX-WMLDXEAASA-N 1 0 318.367 3.185 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000246057950 432875354 /nfs/dbraw/zinc/87/53/54/432875354.db2.gz DMAYVNWLRFFNKI-ZIAGYGMSSA-N 1 0 309.429 3.225 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@H](Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000246040537 432875358 /nfs/dbraw/zinc/87/53/58/432875358.db2.gz XXNNJBWSMLJAEL-ZWKOTPCHSA-N 1 0 300.377 3.046 10 0 DGAERO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245525831 432840364 /nfs/dbraw/zinc/84/03/64/432840364.db2.gz AHGOCDXXLSVWLI-DZGCQCFKSA-N 1 0 309.369 3.437 10 0 DGAERO Fc1ccc(-c2n[nH]cc2CN2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000245549457 432843804 /nfs/dbraw/zinc/84/38/04/432843804.db2.gz ZERKHTMGAFVRHY-IAGOWNOFSA-N 1 0 315.392 3.359 10 0 DGAERO COc1cccc([C@H]2[C@H](NC(=O)C=C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000245558192 432844615 /nfs/dbraw/zinc/84/46/15/432844615.db2.gz VMMCPSLZDAZUEJ-MJGOQNOKSA-N 1 0 314.429 3.055 10 0 DGAERO Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H](C)CO)c2cc1C(C)C ZINC000163170532 432844782 /nfs/dbraw/zinc/84/47/82/432844782.db2.gz TUMNIDNARFNJSQ-ZDUSSCGKSA-N 1 0 303.402 3.037 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(Cl)cc1Cl ZINC000245562964 432845197 /nfs/dbraw/zinc/84/51/97/432845197.db2.gz MPRJZNQLUZPPTC-PWSUYJOCSA-N 1 0 300.233 3.057 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2ccccc21 ZINC000245562449 432845272 /nfs/dbraw/zinc/84/52/72/432845272.db2.gz MABXHUZFFRGMPN-RVKKMQEKSA-N 1 0 317.429 3.137 10 0 DGAERO CCCn1cc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000245566051 432845922 /nfs/dbraw/zinc/84/59/22/432845922.db2.gz SFWUWNBETQTETJ-QZTJIDSGSA-N 1 0 318.509 3.380 10 0 DGAERO CCCc1cnc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)s1 ZINC000245604709 432848892 /nfs/dbraw/zinc/84/88/92/432848892.db2.gz HKUFEVAERPMDSR-CHWSQXEVSA-N 1 0 322.478 3.186 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245609390 432849689 /nfs/dbraw/zinc/84/96/89/432849689.db2.gz AQGMTNLMSRLHQW-HOCLYGCPSA-N 1 0 320.481 3.107 10 0 DGAERO CC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2OC)C(C)C)C1 ZINC000163305794 432850030 /nfs/dbraw/zinc/85/00/30/432850030.db2.gz KFFAMFTZHVYXPA-AEFFLSMTSA-N 1 0 304.478 3.194 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(OC)c2)[C@@H](C)C1 ZINC000245614012 432850791 /nfs/dbraw/zinc/85/07/91/432850791.db2.gz CKMWTTHDIWJNDM-SWLSCSKDSA-N 1 0 324.852 3.151 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](C)c1ccc(OC)cc1 ZINC000245643849 432852998 /nfs/dbraw/zinc/85/29/98/432852998.db2.gz FBSGGYSVENPBDD-MAUKXSAKSA-N 1 0 318.461 3.132 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245647846 432853359 /nfs/dbraw/zinc/85/33/59/432853359.db2.gz GESRPAKYNRPYLR-CJNGLKHVSA-N 1 0 320.481 3.011 10 0 DGAERO CSc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000163528105 432854936 /nfs/dbraw/zinc/85/49/36/432854936.db2.gz PLOYHWJVGIPQLG-AAEUAGOBSA-N 1 0 310.438 3.102 10 0 DGAERO COCCN1CC[N@@H+]([C@H](C)CCSc2ccccc2)C[C@@H]1C ZINC000245688929 432856137 /nfs/dbraw/zinc/85/61/37/432856137.db2.gz OGKPPGNAJZZGGW-SJORKVTESA-N 1 0 322.518 3.210 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Nc2cccc(Cl)c2)C1 ZINC000245705709 432858312 /nfs/dbraw/zinc/85/83/12/432858312.db2.gz XJOUDUREZCUCGE-WFASDCNBSA-N 1 0 307.825 3.288 10 0 DGAERO C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279712239 432990460 /nfs/dbraw/zinc/99/04/60/432990460.db2.gz LABGJVNTBNVPBS-HOCLYGCPSA-N 1 0 304.434 3.422 10 0 DGAERO C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279838989 432994592 /nfs/dbraw/zinc/99/45/92/432994592.db2.gz ZRVMCSXXAIYBTK-JSGCOSHPSA-N 1 0 310.463 3.483 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1Cl ZINC000341110481 432963510 /nfs/dbraw/zinc/96/35/10/432963510.db2.gz XDMKNSHGUDRIGL-JTQLQIEISA-N 1 0 311.813 3.004 10 0 DGAERO Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@H]1C1CCC1)CCC2 ZINC000332687061 433012226 /nfs/dbraw/zinc/01/22/26/433012226.db2.gz OAPIGAJGYANZGM-CVEARBPZSA-N 1 0 316.449 3.043 10 0 DGAERO Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@@H]1C1CCC1)CCC2 ZINC000332687062 433012732 /nfs/dbraw/zinc/01/27/32/433012732.db2.gz OAPIGAJGYANZGM-HZPDHXFCSA-N 1 0 316.449 3.043 10 0 DGAERO c1c(CN2CC[NH+](C3CCCC3)CC2)[nH]nc1-c1ccccc1 ZINC000349817517 433015874 /nfs/dbraw/zinc/01/58/74/433015874.db2.gz AUOCSWIGWAMDHD-UHFFFAOYSA-N 1 0 310.445 3.137 10 0 DGAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2ccccc2cc1O ZINC000333011442 433026863 /nfs/dbraw/zinc/02/68/63/433026863.db2.gz BFNLXAGNYNKNRT-UHFFFAOYSA-N 1 0 324.424 3.292 10 0 DGAERO O=C(Nc1scnc1C1CC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333139342 433035521 /nfs/dbraw/zinc/03/55/21/433035521.db2.gz KQOMMFTUQVSLDP-UHFFFAOYSA-N 1 0 320.462 3.018 10 0 DGAERO O=C(Nc1ccc2[nH]ccc2c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333178100 433038573 /nfs/dbraw/zinc/03/85/73/433038573.db2.gz RGCPAWLVSHNMQF-UHFFFAOYSA-N 1 0 312.417 3.165 10 0 DGAERO O=C(Nc1cccc2[nH]ccc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333194968 433039534 /nfs/dbraw/zinc/03/95/34/433039534.db2.gz VYSQVHMQQWDMLL-OAHLLOKOSA-N 1 0 312.417 3.164 10 0 DGAERO CCOc1ccc(NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1Cl ZINC000333338597 433050595 /nfs/dbraw/zinc/05/05/95/433050595.db2.gz XMSMEHOIKOMVSH-UHFFFAOYSA-N 1 0 323.824 3.099 10 0 DGAERO C[NH+](C)C1(CNC(=O)N2CCC3(C2)CCCCC3)CCCC1 ZINC000465400820 289047041 /nfs/dbraw/zinc/04/70/41/289047041.db2.gz IRLOUFQZBXTMHK-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)nc1 ZINC000341410989 433051243 /nfs/dbraw/zinc/05/12/43/433051243.db2.gz VTRIBYHTPFHVNY-IXDOHACOSA-N 1 0 303.450 3.069 10 0 DGAERO C[C@@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCO1 ZINC000457537256 289128630 /nfs/dbraw/zinc/12/86/30/289128630.db2.gz WEIONQZHZUJTSK-HKUYNNGSSA-N 1 0 322.493 3.060 10 0 DGAERO C[C@@]12CC[C@@H]3c4ccc(OCC[NH3+])cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000098095925 289228225 /nfs/dbraw/zinc/22/82/25/289228225.db2.gz CMRRRUCMFIWSCT-DOADOZAASA-N 1 0 313.441 3.449 10 0 DGAERO CC(=O)N(C)C1CC[NH+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000290488228 433067225 /nfs/dbraw/zinc/06/72/25/433067225.db2.gz RNMAFIXRBWSRTM-UHFFFAOYSA-N 1 0 316.489 3.469 10 0 DGAERO C[NH+](C)CCc1ccccc1NC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000446589191 433069317 /nfs/dbraw/zinc/06/93/17/433069317.db2.gz HRLNRALZJXGPKE-IRXDYDNUSA-N 1 0 315.461 3.445 10 0 DGAERO CCC[C@@H](C(=O)Nc1nc2ccccc2n1CCC)[NH+](C)C ZINC000156806186 292735707 /nfs/dbraw/zinc/73/57/07/292735707.db2.gz JBIRKLQHVDKBIJ-HNNXBMFYSA-N 1 0 302.422 3.115 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2CCC2(C)C)c(OC)c1 ZINC000453305566 433077498 /nfs/dbraw/zinc/07/74/98/433077498.db2.gz IZSIYZDZOHCVLO-SJCJKPOMSA-N 1 0 307.434 3.422 10 0 DGAERO Cc1nccc(CN(Cc2ccnc(OC(C)C)c2)C2CC2)n1 ZINC000361303606 433089175 /nfs/dbraw/zinc/08/91/75/433089175.db2.gz DHALLPSLMVACEH-UHFFFAOYSA-N 1 0 312.417 3.132 10 0 DGAERO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC12CCC2 ZINC000373099954 433092280 /nfs/dbraw/zinc/09/22/80/433092280.db2.gz PKOMKIJTDFSNEI-UHFFFAOYSA-N 1 0 302.418 3.432 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCCC23CCC3)C1 ZINC000373111573 433096459 /nfs/dbraw/zinc/09/64/59/433096459.db2.gz LTGPRTUGQBLAMV-IRXDYDNUSA-N 1 0 321.509 3.473 10 0 DGAERO Cc1ccc([C@H]2CCCN2C(=O)[C@H]2CCn3c(C)ncc3C2)o1 ZINC000290632294 433122978 /nfs/dbraw/zinc/12/29/78/433122978.db2.gz YSIWJIVZGULGKE-GOEBONIOSA-N 1 0 313.401 3.019 10 0 DGAERO C[C@H](NC(=O)Nc1cccc2c1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000333944725 433131002 /nfs/dbraw/zinc/13/10/02/433131002.db2.gz SGEIWRAHCMXGLZ-DZGCQCFKSA-N 1 0 301.434 3.075 10 0 DGAERO c1csc(N2CCC(Nc3cc4c(c[nH+]3)CCC4)CC2)n1 ZINC000354547228 433141940 /nfs/dbraw/zinc/14/19/40/433141940.db2.gz UZRSAQRCGQGUPD-UHFFFAOYSA-N 1 0 300.431 3.108 10 0 DGAERO CC[C@@H]1C[C@@H](C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)CCO1 ZINC000425369560 433208170 /nfs/dbraw/zinc/20/81/70/433208170.db2.gz MJYLEVPFKYLHPS-UONOGXRCSA-N 1 0 324.852 3.382 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)ccc2F)C[C@H]1C ZINC000447135957 433167053 /nfs/dbraw/zinc/16/70/53/433167053.db2.gz KKIAWZKNQALCBR-OLZOCXBDSA-N 1 0 323.412 3.171 10 0 DGAERO CC1(C)CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)O1 ZINC000336704836 433179064 /nfs/dbraw/zinc/17/90/64/433179064.db2.gz HKYJFJQSRCPKMU-ZWKOTPCHSA-N 1 0 302.462 3.198 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000361456010 433180319 /nfs/dbraw/zinc/18/03/19/433180319.db2.gz HFIIUECUOKBNCX-XGXHKWSGSA-N 1 0 302.462 3.197 10 0 DGAERO CC[N@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCOC1 ZINC000336684077 433182366 /nfs/dbraw/zinc/18/23/66/433182366.db2.gz FMZZUYRDDQKBJX-CYBMUJFWSA-N 1 0 302.187 3.199 10 0 DGAERO CS[C@@H]1CN(C(=O)[C@@H]2CCCCC2(C)C)C[C@H]1[NH+]1CCCC1 ZINC000447531867 433215743 /nfs/dbraw/zinc/21/57/43/433215743.db2.gz TYCGPWCITFWUER-ARFHVFGLSA-N 1 0 324.534 3.241 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)cn2)nc1 ZINC000425420216 433231628 /nfs/dbraw/zinc/23/16/28/433231628.db2.gz MEEWZHNNDITHBF-QZTJIDSGSA-N 1 0 323.440 3.392 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)cn2)nc1 ZINC000425420009 433231904 /nfs/dbraw/zinc/23/19/04/433231904.db2.gz LRNOGRKTWUVHIX-SFHVURJKSA-N 1 0 323.440 3.392 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000453635441 433256722 /nfs/dbraw/zinc/25/67/22/433256722.db2.gz UZJJRZBTIQQAPL-PVBRJXJSSA-N 1 0 311.372 3.442 10 0 DGAERO c1cc(C[NH2+]CCn2cnc3ccccc32)n(-c2ccccc2)n1 ZINC000447930888 433324257 /nfs/dbraw/zinc/32/42/57/433324257.db2.gz NDNQCSYPSUBTBK-UHFFFAOYSA-N 1 0 317.396 3.012 10 0 DGAERO c1c2ccccc2n2c1CN(c1cc(NC3CC3)ncn1)CC2 ZINC000413296368 433270602 /nfs/dbraw/zinc/27/06/02/433270602.db2.gz CVUZEIQJLAXATR-UHFFFAOYSA-N 1 0 305.385 3.026 10 0 DGAERO c1ccc2c(c1)OC1(CCCCC1)C[C@@H]2[NH2+]C[C@@H]1COCCO1 ZINC000338209479 433284170 /nfs/dbraw/zinc/28/41/70/433284170.db2.gz WMLDDFUICFAPSQ-WBVHZDCISA-N 1 0 317.429 3.218 10 0 DGAERO c1ccc2c(c1)OC1(CCCCC1)C[C@H]2[NH2+]C[C@H]1COCCO1 ZINC000338209475 433284195 /nfs/dbraw/zinc/28/41/95/433284195.db2.gz WMLDDFUICFAPSQ-DOTOQJQBSA-N 1 0 317.429 3.218 10 0 DGAERO COCC[N@H+](Cc1cc(OC)ccc1OC)[C@H]1CC[C@H](C)C1 ZINC000361639478 433307299 /nfs/dbraw/zinc/30/72/99/433307299.db2.gz OUDFCDQYOHPJQM-HOCLYGCPSA-N 1 0 307.434 3.341 10 0 DGAERO c1[nH+]cn2ccc(-c3noc([C@@H]4CC45CCSCC5)n3)cc12 ZINC000351117703 433378313 /nfs/dbraw/zinc/37/83/13/433378313.db2.gz PUOQJUVNKAUUJY-ZDUSSCGKSA-N 1 0 312.398 3.385 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(Cc4ccc5c(c4)CCC5)n3)cc12 ZINC000447959886 433331976 /nfs/dbraw/zinc/33/19/76/433331976.db2.gz UMSOYCRMSCCAFM-UHFFFAOYSA-N 1 0 316.364 3.464 10 0 DGAERO Clc1ccccc1O[C@H]1CCCN(Cc2ncccn2)C1 ZINC000361861181 433426242 /nfs/dbraw/zinc/42/62/42/433426242.db2.gz WTKXGPNQAORMCW-ZDUSSCGKSA-N 1 0 303.793 3.173 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[NH2+]C1(CCO)CCCCC1 ZINC000361865434 433430140 /nfs/dbraw/zinc/43/01/40/433430140.db2.gz NPIGKUUCHDGJRS-UHFFFAOYSA-N 1 0 313.445 3.356 10 0 DGAERO c1cc(C[NH+]2CCCCC2)cc(-c2nc(-c3ccncn3)no2)c1 ZINC000351215899 433419827 /nfs/dbraw/zinc/41/98/27/433419827.db2.gz GHTCVCCXALUIKS-UHFFFAOYSA-N 1 0 321.384 3.180 10 0 DGAERO c1cc2c(c(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)c1)OCO2 ZINC000361896995 433442833 /nfs/dbraw/zinc/44/28/33/433442833.db2.gz OJEDDUFKSWHPRT-CWRNSKLLSA-N 1 0 303.402 3.100 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000355105455 433463541 /nfs/dbraw/zinc/46/35/41/433463541.db2.gz HXAGBWQPZPSNSU-CZUORRHYSA-N 1 0 315.442 3.206 10 0 DGAERO C[N@H+](CCO)C1(CNc2nc3ccccc3s2)CCCCC1 ZINC000301275075 433480111 /nfs/dbraw/zinc/48/01/11/433480111.db2.gz KSSVKEMPADCGMF-UHFFFAOYSA-N 1 0 319.474 3.335 10 0 DGAERO Brc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000355127730 433481218 /nfs/dbraw/zinc/48/12/18/433481218.db2.gz BACSPSRCSVKRTJ-ZFWWWQNUSA-N 1 0 310.235 3.450 10 0 DGAERO c1csc(N2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)n1 ZINC000421369974 433515130 /nfs/dbraw/zinc/51/51/30/433515130.db2.gz CVGGFJFPLPDVCM-ZDUSSCGKSA-N 1 0 323.531 3.235 10 0 DGAERO Brc1cccc2c1OCC[C@H]2[NH2+]Cc1ccncc1 ZINC000282181758 433522707 /nfs/dbraw/zinc/52/27/07/433522707.db2.gz ZLRWBKGOSORVEE-CQSZACIVSA-N 1 0 319.202 3.458 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1scnc1C)CC2 ZINC000355198463 433526634 /nfs/dbraw/zinc/52/66/34/433526634.db2.gz NTPSSBHNBFDZSH-UHFFFAOYSA-N 1 0 300.427 3.255 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3CC4(C3)CCCCC4)[C@@H]2C1 ZINC000421351566 433492149 /nfs/dbraw/zinc/49/21/49/433492149.db2.gz CGIVWMSJCHJURZ-CGTJXYLNSA-N 1 0 304.478 3.336 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCc1nnc[nH]1 ZINC000342156270 433505204 /nfs/dbraw/zinc/50/52/04/433505204.db2.gz DPUBNXBVUQXSIG-XFFZJAGNSA-N 1 0 310.323 3.059 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCc1nc(C)n[nH]1 ZINC000342161160 433508426 /nfs/dbraw/zinc/50/84/26/433508426.db2.gz JALGNDBMRKNJJC-FLIBITNWSA-N 1 0 324.350 3.368 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000282307950 433561112 /nfs/dbraw/zinc/56/11/12/433561112.db2.gz DINPEBOCBRQDAY-ONERCXAPSA-N 1 0 310.235 3.451 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000339513277 433628465 /nfs/dbraw/zinc/62/84/65/433628465.db2.gz VOQZAIVUPPOBFT-UYAOXDASSA-N 1 0 318.424 3.220 10 0 DGAERO C[NH+](C)CCCCNC(=O)C1=C(c2ccccc2)CCCC1 ZINC000448974811 433637065 /nfs/dbraw/zinc/63/70/65/433637065.db2.gz MFHSWTSYZZXZNK-UHFFFAOYSA-N 1 0 300.446 3.472 10 0 DGAERO c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)s2)cc1 ZINC000362314246 433639496 /nfs/dbraw/zinc/63/94/96/433639496.db2.gz FKHSSIFCWZJFIQ-GJZGRUSLSA-N 1 0 315.442 3.206 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+]C[C@H]1CCCSC1 ZINC000342295802 433597632 /nfs/dbraw/zinc/59/76/32/433597632.db2.gz QQFZESDMUXOTAQ-GFCCVEGCSA-N 1 0 305.472 3.438 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cccc(Cl)c1Cl ZINC000282469742 433612922 /nfs/dbraw/zinc/61/29/22/433612922.db2.gz WFUZPWAMQUKOHB-SBMIAAHKSA-N 1 0 301.217 3.311 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000339501722 433621409 /nfs/dbraw/zinc/62/14/09/433621409.db2.gz ZXDPRQRVTVNUNO-UHFFFAOYSA-N 1 0 319.412 3.076 10 0 DGAERO Cc1ccncc1C[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000366337706 292937223 /nfs/dbraw/zinc/93/72/23/292937223.db2.gz LVIGMKBOUHDESY-MRXNPFEDSA-N 1 0 301.821 3.412 10 0 DGAERO CCn1nnc(C)c1C[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000449010343 433660168 /nfs/dbraw/zinc/66/01/68/433660168.db2.gz SKCVPKZTLIRHHD-UHFFFAOYSA-N 1 0 323.444 3.467 10 0 DGAERO Cc1cccc2c(N[C@H]3CCCN(c4cnn(C)c4)C3)cc[nH+]c12 ZINC000301676045 433670260 /nfs/dbraw/zinc/67/02/60/433670260.db2.gz QADBXBHNXBSJHK-HNNXBMFYSA-N 1 0 321.428 3.358 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000449019992 433672681 /nfs/dbraw/zinc/67/26/81/433672681.db2.gz UCNQLVHXJSCLKS-BLLLJJGKSA-N 1 0 310.388 3.059 10 0 DGAERO Cc1ccnc(C2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)n1 ZINC000366732895 292982586 /nfs/dbraw/zinc/98/25/86/292982586.db2.gz ALEGMOMVXAPPRS-UHFFFAOYSA-N 1 0 323.400 3.148 10 0 DGAERO COc1ccc(CCC[NH2+][C@@H]2CCC23CCOCC3)cc1OC ZINC000367049126 293015982 /nfs/dbraw/zinc/01/59/82/293015982.db2.gz CEHDIYCQZITZQD-GOSISDBHSA-N 1 0 319.445 3.185 10 0 DGAERO c1cc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCCOC4)cs2)co1 ZINC000367055276 293017468 /nfs/dbraw/zinc/01/74/68/293017468.db2.gz OVOWEFXRSSFQGG-INIZCTEOSA-N 1 0 304.415 3.406 10 0 DGAERO C[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000367196755 293036340 /nfs/dbraw/zinc/03/63/40/293036340.db2.gz UCHPGALEHBPEIQ-CABCVRRESA-N 1 0 321.465 3.143 10 0 DGAERO COc1ccc([C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)c2nccn2C)cc1 ZINC000367208524 293038688 /nfs/dbraw/zinc/03/86/88/293038688.db2.gz XCPBOGIGCZKHBJ-RANZSIQMSA-N 1 0 311.429 3.296 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000367358740 293060622 /nfs/dbraw/zinc/06/06/22/293060622.db2.gz OHQVGDXTIZWATK-GOSISDBHSA-N 1 0 310.445 3.137 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@H](O)c1ccccc1)CC2 ZINC000367383542 293065290 /nfs/dbraw/zinc/06/52/90/293065290.db2.gz CISNUWQZLHNGCL-NRFANRHFSA-N 1 0 323.436 3.414 10 0 DGAERO c1csc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCCOC4)co2)c1 ZINC000368499609 293128313 /nfs/dbraw/zinc/12/83/13/293128313.db2.gz RCKCYITZMCNBPK-INIZCTEOSA-N 1 0 304.415 3.406 10 0 DGAERO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000456523625 433708280 /nfs/dbraw/zinc/70/82/80/433708280.db2.gz FKULOFFFXUKLBU-DUVNUKRYSA-N 1 0 322.399 3.011 10 0 DGAERO c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000373708061 293308238 /nfs/dbraw/zinc/30/82/38/293308238.db2.gz NGAAAKMWJBAJCH-FGTMMUONSA-N 1 0 315.461 3.081 10 0 DGAERO Cn1ncnc1CCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000301773266 433716540 /nfs/dbraw/zinc/71/65/40/433716540.db2.gz FFCXZOGSSIFJRP-UHFFFAOYSA-N 1 0 321.306 3.037 10 0 DGAERO Fc1cnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC000301778412 433719862 /nfs/dbraw/zinc/71/98/62/433719862.db2.gz MFVAHVIYJHJPNV-MRXNPFEDSA-N 1 0 300.381 3.082 10 0 DGAERO c1csc(-c2cnc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)o2)c1 ZINC000362455785 433728924 /nfs/dbraw/zinc/72/89/24/433728924.db2.gz TYRYDWUYXCPADN-STQMWFEESA-N 1 0 304.415 3.404 10 0 DGAERO CC(C)C1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000374677258 293433523 /nfs/dbraw/zinc/43/35/23/293433523.db2.gz RELYDHYDHADSCY-IKJBURDNSA-N 1 0 309.494 3.359 10 0 DGAERO CC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000449432626 433743423 /nfs/dbraw/zinc/74/34/23/433743423.db2.gz ILDLHVNSOCHZRE-JSGCOSHPSA-N 1 0 306.372 3.098 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1nc2ccccc2[nH]1 ZINC000301850566 433757115 /nfs/dbraw/zinc/75/71/15/433757115.db2.gz AXMUERYISBEYSC-ZBFHGGJFSA-N 1 0 321.428 3.280 10 0 DGAERO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000449757731 433767743 /nfs/dbraw/zinc/76/77/43/433767743.db2.gz SXYZKFYNIHZJEZ-ZIAGYGMSSA-N 1 0 303.324 3.458 10 0 DGAERO Cc1cccc2c(N3CCC(Cn4ccnn4)CC3)cc[nH+]c12 ZINC000301785076 433723490 /nfs/dbraw/zinc/72/34/90/433723490.db2.gz VLLVQADYZWPVSD-UHFFFAOYSA-N 1 0 307.401 3.051 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)[C@@H]1CCC[C@H](C)C1 ZINC000449765375 433777488 /nfs/dbraw/zinc/77/74/88/433777488.db2.gz HZZXBRDPGFSQAS-OFQRWUPVSA-N 1 0 309.475 3.395 10 0 DGAERO COc1ccc(OC)c(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1 ZINC000375363403 293517273 /nfs/dbraw/zinc/51/72/73/293517273.db2.gz SRGQQRUVTJFWHU-UHFFFAOYSA-N 1 0 315.417 3.115 10 0 DGAERO CCC(CC)Oc1ccc(C(=O)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000449789311 433806001 /nfs/dbraw/zinc/80/60/01/433806001.db2.gz FXHDYUOYVUJHSD-OAHLLOKOSA-N 1 0 318.461 3.326 10 0 DGAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)C1 ZINC000356998147 433808724 /nfs/dbraw/zinc/80/87/24/433808724.db2.gz AGDDPBWNQXYDNZ-RYRKJORJSA-N 1 0 300.446 3.376 10 0 DGAERO Cc1cc(NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)cc[nH+]1 ZINC000302212341 433817711 /nfs/dbraw/zinc/81/77/11/433817711.db2.gz DUDRQYIICRCERY-GOEBONIOSA-N 1 0 317.458 3.325 10 0 DGAERO OCCOc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000436242142 433915394 /nfs/dbraw/zinc/91/53/94/433915394.db2.gz SULMTWIXOIQPSJ-MOPGFXCFSA-N 1 0 311.425 3.484 10 0 DGAERO Brc1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)nc1 ZINC000340106640 433924736 /nfs/dbraw/zinc/92/47/36/433924736.db2.gz RANVNQNJHAEROY-HNNXBMFYSA-N 1 0 318.218 3.480 10 0 DGAERO c1sc([C@H]2C[N@@H+]3CCC[C@H]3CO2)nc1[C@H]1Cc2ccccc21 ZINC000357252037 433926540 /nfs/dbraw/zinc/92/65/40/433926540.db2.gz FRTWECIDODTNRT-JLJPHGGASA-N 1 0 312.438 3.367 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000377415019 433878705 /nfs/dbraw/zinc/87/87/05/433878705.db2.gz WYSWNCATUAWSNR-SUMWQHHRSA-N 1 0 309.413 3.303 10 0 DGAERO CCC[C@H](OC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000449937701 433879788 /nfs/dbraw/zinc/87/97/88/433879788.db2.gz ZJLZXAYUWUCVCR-DZKIICNBSA-N 1 0 324.490 3.062 10 0 DGAERO O=c1[nH]c2ccccc2cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000377628021 433934617 /nfs/dbraw/zinc/93/46/17/433934617.db2.gz ARWYMWFIYPFJNP-UHFFFAOYSA-N 1 0 308.385 3.043 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377811183 293715098 /nfs/dbraw/zinc/71/50/98/293715098.db2.gz JXWISTIPZYLKAQ-ABDJAZHISA-N 1 0 316.420 3.077 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2SC)cc1OC(F)F ZINC000344956683 433887646 /nfs/dbraw/zinc/88/76/46/433887646.db2.gz QVNJKYMFJBFZRM-MFKMUULPSA-N 1 0 303.374 3.280 10 0 DGAERO c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](C[C@@H]4CCC=CO4)C3)n2)cc1 ZINC000377672005 433947956 /nfs/dbraw/zinc/94/79/56/433947956.db2.gz AKNBHDNORPYSBV-SJORKVTESA-N 1 0 324.428 3.344 10 0 DGAERO c1ccc([C@@H]([NH2+]Cc2nc3ccccc3[nH]2)[C@@H]2CCOC2)cc1 ZINC000357350941 433968148 /nfs/dbraw/zinc/96/81/48/433968148.db2.gz DSGZQVDQLPHWIW-DNVCBOLYSA-N 1 0 307.397 3.430 10 0 DGAERO Brc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415058272 433974807 /nfs/dbraw/zinc/97/48/07/433974807.db2.gz VHZIDBGEHUOBJZ-GOEBONIOSA-N 1 0 323.278 3.413 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000304544997 434015068 /nfs/dbraw/zinc/01/50/68/434015068.db2.gz DUQFFSCIUFTPFA-NXEZZACHSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)O1 ZINC000398059677 293852180 /nfs/dbraw/zinc/85/21/80/293852180.db2.gz FMXUCLWGMWBVBF-MWLCHTKSSA-N 1 0 302.187 3.245 10 0 DGAERO C[C@H]([NH2+]CCC(C)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400516226 293864859 /nfs/dbraw/zinc/86/48/59/293864859.db2.gz GKESHQRRVKCBAX-RYUDHWBXSA-N 1 0 306.397 3.267 10 0 DGAERO O=C(N[C@H]1CCCC(F)(F)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450155210 434000994 /nfs/dbraw/zinc/00/09/94/434000994.db2.gz GYQOQQKSUKJVED-DZGCQCFKSA-N 1 0 314.420 3.478 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCn2ccnc21 ZINC000294276795 434067892 /nfs/dbraw/zinc/06/78/92/434067892.db2.gz YFSZNGGKLQDHKI-BXUZGUMPSA-N 1 0 320.234 3.311 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000340356606 434081981 /nfs/dbraw/zinc/08/19/81/434081981.db2.gz QMPISCYQHQLHND-IEBWSBKVSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H](O)CC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000450296583 434089881 /nfs/dbraw/zinc/08/98/81/434089881.db2.gz FJVSSJOZSHPHIR-JTQLQIEISA-N 1 0 316.214 3.324 10 0 DGAERO CCOc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000451460851 293953973 /nfs/dbraw/zinc/95/39/73/293953973.db2.gz AGCHDRFWUAIMLO-QAPCUYQASA-N 1 0 319.445 3.137 10 0 DGAERO C[N@H+](CCCCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)C1CC1 ZINC000457210380 434053937 /nfs/dbraw/zinc/05/39/37/434053937.db2.gz VLYIZBBVYCUELB-GOEBONIOSA-N 1 0 322.399 3.059 10 0 DGAERO Cn1cncc1CC[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000459384033 293970028 /nfs/dbraw/zinc/97/00/28/293970028.db2.gz CAWNUVUIUCZUMD-KRWDZBQOSA-N 1 0 319.424 3.185 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000310050532 434109361 /nfs/dbraw/zinc/10/93/61/434109361.db2.gz VGLGGMWMTQKRCP-QWHCGFSZSA-N 1 0 318.642 3.496 10 0 DGAERO CN(Cc1cc(Br)cs1)[C@@H]1C[NH+]2CCC1CC2 ZINC000310424913 434110818 /nfs/dbraw/zinc/11/08/18/434110818.db2.gz LSVGMRYCYMSXPG-CYBMUJFWSA-N 1 0 315.280 3.037 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c(Br)c1 ZINC000310749239 434112210 /nfs/dbraw/zinc/11/22/10/434112210.db2.gz UKRCMZZUJLXXAS-OCCSQVGLSA-N 1 0 312.251 3.398 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c(Br)c1 ZINC000310749236 434112309 /nfs/dbraw/zinc/11/23/09/434112309.db2.gz UKRCMZZUJLXXAS-JSGCOSHPSA-N 1 0 312.251 3.398 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1cccc(F)c1 ZINC000378219058 434113842 /nfs/dbraw/zinc/11/38/42/434113842.db2.gz AEGMSPWRBMAEOZ-HSCUQBEKSA-N 1 0 316.420 3.220 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H]2C)c(Br)c1 ZINC000310854236 434114304 /nfs/dbraw/zinc/11/43/04/434114304.db2.gz DLXVTZVXCHKRIO-RNCFNFMXSA-N 1 0 312.207 3.124 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000313069976 434118575 /nfs/dbraw/zinc/11/85/75/434118575.db2.gz UCLILSQQAPCKBH-GFCCVEGCSA-N 1 0 302.187 3.103 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000313048940 434119269 /nfs/dbraw/zinc/11/92/69/434119269.db2.gz ZBTQLCHWORCDTE-KBPBESRZSA-N 1 0 310.235 3.451 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000313055280 434119356 /nfs/dbraw/zinc/11/93/56/434119356.db2.gz DGAUSNQFRKTTNG-LBPRGKRZSA-N 1 0 305.752 3.456 10 0 DGAERO CC(C)c1ccc(/C=C/CC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000457358349 434121021 /nfs/dbraw/zinc/12/10/21/434121021.db2.gz BYBJZLKECPULGF-RCFWFJCLSA-N 1 0 300.446 3.411 10 0 DGAERO CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000457358338 434121369 /nfs/dbraw/zinc/12/13/69/434121369.db2.gz BYBJZLKECPULGF-IVZVJUQRSA-N 1 0 300.446 3.411 10 0 DGAERO CCc1ccc(C(=O)N2CCC(C[NH+](CC)CC)CC2)c(O)c1 ZINC000436826118 434125698 /nfs/dbraw/zinc/12/56/98/434125698.db2.gz NZBJQLCFVLJDSC-UHFFFAOYSA-N 1 0 318.461 3.149 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000506294504 294268363 /nfs/dbraw/zinc/26/83/63/294268363.db2.gz JQYKZUAXFUBVDO-INIZCTEOSA-N 1 0 317.429 3.393 10 0 DGAERO CC[N@H+](CCc1ccccc1)Cc1ccc(-n2cncn2)cc1 ZINC000507118472 294283103 /nfs/dbraw/zinc/28/31/03/294283103.db2.gz YKSBCMCCXXFEMT-UHFFFAOYSA-N 1 0 306.413 3.332 10 0 DGAERO C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508115566 294317401 /nfs/dbraw/zinc/31/74/01/294317401.db2.gz CEELUNATXASIJI-SQNIBIBYSA-N 1 0 321.509 3.473 10 0 DGAERO COc1cc(OC)c(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)c(OC)c1 ZINC000510671547 294389465 /nfs/dbraw/zinc/38/94/65/294389465.db2.gz QCIWSWPFUFLGDY-WBVHZDCISA-N 1 0 319.445 3.423 10 0 DGAERO c1ccc(-c2ccc(NCC[NH2+][C@H]3CC[C@H]3C3CCC3)nn2)cc1 ZINC000510702996 294390168 /nfs/dbraw/zinc/39/01/68/294390168.db2.gz NUWXZWLRNCRCQU-HKUYNNGSSA-N 1 0 322.456 3.146 10 0 DGAERO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCCF ZINC000510781979 294392559 /nfs/dbraw/zinc/39/25/59/294392559.db2.gz QCMHZZKQZUOSNZ-SFHVURJKSA-N 1 0 307.409 3.377 10 0 DGAERO CCCC(CCC)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000510961363 294397077 /nfs/dbraw/zinc/39/70/77/294397077.db2.gz VWXLPFZCVYMJCF-QGZVFWFLSA-N 1 0 318.461 3.225 10 0 DGAERO CC(C)CC[C@@H](C)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000510949721 294397259 /nfs/dbraw/zinc/39/72/59/294397259.db2.gz WPUTTZIGPHQLHX-SJORKVTESA-N 1 0 318.461 3.081 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](CO)CC2CCCC2)c1 ZINC000511038323 294399652 /nfs/dbraw/zinc/39/96/52/294399652.db2.gz PPOUCEHDACFYNI-DZGCQCFKSA-N 1 0 307.434 3.296 10 0 DGAERO Cc1ccc(Br)cc1C[NH2+]C(C)(C)C(C)(C)O ZINC000313702883 434132846 /nfs/dbraw/zinc/13/28/46/434132846.db2.gz MXEIBRCOKYNDJY-UHFFFAOYSA-N 1 0 300.240 3.397 10 0 DGAERO c1coc(-c2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013951 434153899 /nfs/dbraw/zinc/15/38/99/434153899.db2.gz GCOUNPUQZPKSLR-DZGCQCFKSA-N 1 0 317.458 3.367 10 0 DGAERO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000295045867 434161910 /nfs/dbraw/zinc/16/19/10/434161910.db2.gz XBOQKWDXTHBYAH-KRWDZBQOSA-N 1 0 324.428 3.195 10 0 DGAERO c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000378419819 434175542 /nfs/dbraw/zinc/17/55/42/434175542.db2.gz FZHYXQMUTSDWRX-APWZRJJASA-N 1 0 313.397 3.374 10 0 DGAERO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000357785242 434176309 /nfs/dbraw/zinc/17/63/09/434176309.db2.gz XHHIXUSXUFUCJI-QGZVFWFLSA-N 1 0 300.446 3.472 10 0 DGAERO CCC[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccccn1 ZINC000357835222 434205718 /nfs/dbraw/zinc/20/57/18/434205718.db2.gz OSMRCSRWCFESFJ-AEFFLSMTSA-N 1 0 302.393 3.255 10 0 DGAERO c1cc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)nc(C2CC2)n1 ZINC000347141825 434262240 /nfs/dbraw/zinc/26/22/40/434262240.db2.gz HKVKQBKPZNXTKV-KRWDZBQOSA-N 1 0 314.477 3.811 10 0 DGAERO C[C@@H](NC(=O)c1cc(Cl)sc1Cl)C1=CC[N@H+](C)CC1 ZINC000357949794 434262937 /nfs/dbraw/zinc/26/29/37/434262937.db2.gz VESRANFPGZBETN-MRVPVSSYSA-N 1 0 319.257 3.435 10 0 DGAERO Clc1cnccc1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000380891722 434267371 /nfs/dbraw/zinc/26/73/71/434267371.db2.gz CZTXOHKRVDPETO-KRWDZBQOSA-N 1 0 315.848 3.489 10 0 DGAERO CC1(C)C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCN1Cc1ccccc1 ZINC000382640748 434279635 /nfs/dbraw/zinc/27/96/35/434279635.db2.gz DDLAEURDTOXDHD-MOPGFXCFSA-N 1 0 316.489 3.134 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000295273989 434283593 /nfs/dbraw/zinc/28/35/93/434283593.db2.gz SFGGBAQDHMRWAE-LLVKDONJSA-N 1 0 317.216 3.089 10 0 DGAERO C[C@@H](CN[C@@H]1CCc2sc(Br)cc21)C[NH+](C)C ZINC000383457574 434288089 /nfs/dbraw/zinc/28/80/89/434288089.db2.gz IJATTWBLVMWPLH-GXSJLCMTSA-N 1 0 317.296 3.285 10 0 DGAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000384247711 434292589 /nfs/dbraw/zinc/29/25/89/434292589.db2.gz KWXIOMLJBIHSQJ-MFKMUULPSA-N 1 0 315.244 3.340 10 0 DGAERO Nc1ccc(N[C@H]2CCC[N@H+](Cc3ccsc3)CC2)cn1 ZINC000328648085 434293302 /nfs/dbraw/zinc/29/33/02/434293302.db2.gz UKPKSCBQQPCWES-AWEZNQCLSA-N 1 0 302.447 3.192 10 0 DGAERO C[C@H](C[NH+]1CCC(C(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000437594233 434294622 /nfs/dbraw/zinc/29/46/22/434294622.db2.gz PNPYAOPOYFNODQ-OAHLLOKOSA-N 1 0 318.436 3.264 10 0 DGAERO c1ccc(OC2CC2)c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000450622072 434295284 /nfs/dbraw/zinc/29/52/84/434295284.db2.gz NNKADRHFZNVHHF-INIZCTEOSA-N 1 0 301.430 3.476 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]1C ZINC000385631877 434300532 /nfs/dbraw/zinc/30/05/32/434300532.db2.gz KPMIFMUOEZBOIX-KBVBSXBZSA-N 1 0 312.207 3.312 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1N ZINC000386265023 434306580 /nfs/dbraw/zinc/30/65/80/434306580.db2.gz LDSHTASAGMVSML-TVQRCGJNSA-N 1 0 303.233 3.168 10 0 DGAERO c1ccc([C@@H]2CCCC[C@H]([NH2+]CCN3CCOCC3)C2)cc1 ZINC000517106405 294656219 /nfs/dbraw/zinc/65/62/19/294656219.db2.gz YHLXDAHKXPEDOT-MOPGFXCFSA-N 1 0 302.462 3.025 10 0 DGAERO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437759490 434329857 /nfs/dbraw/zinc/32/98/57/434329857.db2.gz BVAGAFSVBHUSAM-XNRPHZJLSA-N 1 0 323.868 3.225 10 0 DGAERO C[C@H]1CCC[C@H](CC[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)C1 ZINC000329127596 434361034 /nfs/dbraw/zinc/36/10/34/434361034.db2.gz NBBZYTOTIQSDCY-ABFRBSLYSA-N 1 0 318.465 3.187 10 0 DGAERO CC(=O)c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)s1 ZINC000340813820 434368770 /nfs/dbraw/zinc/36/87/70/434368770.db2.gz DUMWBDJEPUIDGK-KGLIPLIRSA-N 1 0 320.458 3.038 10 0 DGAERO OCC[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000437955395 434372331 /nfs/dbraw/zinc/37/23/31/434372331.db2.gz QAJXCBJAOOIGCX-FHWLQOOXSA-N 1 0 303.446 3.090 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1F ZINC000358197303 434378069 /nfs/dbraw/zinc/37/80/69/434378069.db2.gz VZXCFSGYDRERGW-OAHLLOKOSA-N 1 0 319.424 3.146 10 0 DGAERO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2nn(C)cc2Br)C1 ZINC000393350964 434388420 /nfs/dbraw/zinc/38/84/20/434388420.db2.gz SSIHERXZTSYDOJ-CMPLNLGQSA-N 1 0 312.255 3.265 10 0 DGAERO CCN1CC[C@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000389112504 434342468 /nfs/dbraw/zinc/34/24/68/434342468.db2.gz AQFVBHIYSVAJFR-SIWZUTFBSA-N 1 0 323.278 3.379 10 0 DGAERO CCN1CC[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000389287455 434348462 /nfs/dbraw/zinc/34/84/62/434348462.db2.gz WLFGFTIZPBRZGV-NSHDSACASA-N 1 0 317.658 3.286 10 0 DGAERO CC(C)n1cncc1C[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000389938847 434351739 /nfs/dbraw/zinc/35/17/39/434351739.db2.gz OTRGLQPSBVMQRD-MRXNPFEDSA-N 1 0 301.434 3.407 10 0 DGAERO CC1(C)C[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C(C)(C)O1 ZINC000389900551 434352952 /nfs/dbraw/zinc/35/29/52/434352952.db2.gz BNYSKIZXVRUDOE-KRWDZBQOSA-N 1 0 313.445 3.367 10 0 DGAERO CC[C@@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccccc1 ZINC000358161242 434358535 /nfs/dbraw/zinc/35/85/35/434358535.db2.gz FDBRQAMSNDYBLO-QGZVFWFLSA-N 1 0 301.434 3.089 10 0 DGAERO CCn1cncc1C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000397936854 434446479 /nfs/dbraw/zinc/44/64/79/434446479.db2.gz XCQKEILIDWHQKW-LJQANCHMSA-N 1 0 312.461 3.047 10 0 DGAERO CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CO1 ZINC000397951837 434446723 /nfs/dbraw/zinc/44/67/23/434446723.db2.gz PQHJMUBEPODQEK-IEBWSBKVSA-N 1 0 302.462 3.198 10 0 DGAERO c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353749134 434394746 /nfs/dbraw/zinc/39/47/46/434394746.db2.gz KOLIGUAUYJGMCO-LJQANCHMSA-N 1 0 315.461 3.074 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@@H](C)O1 ZINC000395212024 434412846 /nfs/dbraw/zinc/41/28/46/434412846.db2.gz JLYQWEWSRLXVEL-JRKPZEMJSA-N 1 0 302.187 3.244 10 0 DGAERO Brc1cccc2c1C[N@H+](CC[C@H]1CCOC1)CC2 ZINC000438118948 434414485 /nfs/dbraw/zinc/41/44/85/434414485.db2.gz RLNPFPMXEPIGHI-LBPRGKRZSA-N 1 0 310.235 3.234 10 0 DGAERO CC1(C)C[C@H](O)CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000395347774 434416085 /nfs/dbraw/zinc/41/60/85/434416085.db2.gz HMOJHJANKUFIKV-CQSZACIVSA-N 1 0 312.251 3.432 10 0 DGAERO C[C@@H](O)CC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000450824940 434423067 /nfs/dbraw/zinc/42/30/67/434423067.db2.gz VECQQMJKPNLZDP-GFCCVEGCSA-N 1 0 312.251 3.432 10 0 DGAERO c1c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)nnn1CC1CC1 ZINC000450818612 434424038 /nfs/dbraw/zinc/42/40/38/434424038.db2.gz IKRMBHRRJKBDMA-IEBWSBKVSA-N 1 0 310.445 3.189 10 0 DGAERO CC(C)C[C@@H]1C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000457990587 434431455 /nfs/dbraw/zinc/43/14/55/434431455.db2.gz LZMBALHTRAMYPS-QZTJIDSGSA-N 1 0 300.446 3.447 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000397629189 434441319 /nfs/dbraw/zinc/44/13/19/434441319.db2.gz NPIXZLVSGUQNKY-YTQUADARSA-N 1 0 316.489 3.302 10 0 DGAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)s3)C[C@@H]2C1 ZINC000398784030 434464261 /nfs/dbraw/zinc/46/42/61/434464261.db2.gz OAQAJDDLWTYAKB-GARJFASQSA-N 1 0 316.264 3.103 10 0 DGAERO C[C@H]1C[C@@H](CO)C[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000398743780 434464420 /nfs/dbraw/zinc/46/44/20/434464420.db2.gz NEHKYBVPISBOKW-NWDGAFQWSA-N 1 0 318.244 3.323 10 0 DGAERO COC(=O)c1ccc(-c2nc(C[N@H+](C)CC(C)C)co2)cc1 ZINC000359989753 434465327 /nfs/dbraw/zinc/46/53/27/434465327.db2.gz AVHVBBYJILEESU-UHFFFAOYSA-N 1 0 302.374 3.216 10 0 DGAERO CC1(C)C[N@H+](CCc2ccc(Cl)cc2)C[C@]2(CCOC2)O1 ZINC000450900054 434470734 /nfs/dbraw/zinc/47/07/34/434470734.db2.gz UBBFNWIWJUUOPA-KRWDZBQOSA-N 1 0 309.837 3.152 10 0 DGAERO C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1ccc(Cl)cc1Cl ZINC000399122442 434473325 /nfs/dbraw/zinc/47/33/25/434473325.db2.gz IKHOHKOZJHQEJC-AMIZOPFISA-N 1 0 301.217 3.298 10 0 DGAERO CC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000450961090 434505196 /nfs/dbraw/zinc/50/51/96/434505196.db2.gz OMWOFVNKRNSNNC-MRXNPFEDSA-N 1 0 311.385 3.139 10 0 DGAERO CCOCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400448152 434486526 /nfs/dbraw/zinc/48/65/26/434486526.db2.gz OAJPCWSYTHMAKD-LSDHHAIUSA-N 1 0 314.470 3.038 10 0 DGAERO C[C@@H]([NH2+]C(C1CC1)C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400533043 434486833 /nfs/dbraw/zinc/48/68/33/434486833.db2.gz SEXLKPNZYZOENG-DOMZBBRYSA-N 1 0 308.466 3.410 10 0 DGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cccc(Cl)c1Cl ZINC000401655926 434497785 /nfs/dbraw/zinc/49/77/85/434497785.db2.gz JMMSHNSPGVLXNZ-GFCCVEGCSA-N 1 0 313.228 3.398 10 0 DGAERO Cc1cc(F)cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000329681741 434456792 /nfs/dbraw/zinc/45/67/92/434456792.db2.gz SCFGZPWGHZGTKT-PBHICJAKSA-N 1 0 317.364 3.110 10 0 DGAERO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(F)c(Cl)cc1Cl ZINC000404194278 434508192 /nfs/dbraw/zinc/50/81/92/434508192.db2.gz OOHSLPZRTIYZIW-YMTOWFKASA-N 1 0 322.207 3.325 10 0 DGAERO O[C@]1(CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCOC1 ZINC000404203981 434509281 /nfs/dbraw/zinc/50/92/81/434509281.db2.gz SOLGRDNAEXKHLX-DZGCQCFKSA-N 1 0 313.850 3.008 10 0 DGAERO CC(C)c1nc([C@@H]2CCC[N@H+](C[C@H]3CCO[C@H](C)C3)C2)no1 ZINC000408144815 434545173 /nfs/dbraw/zinc/54/51/73/434545173.db2.gz NRLNYQQFPHYVMA-QLFBSQMISA-N 1 0 307.438 3.188 10 0 DGAERO C[C@H]1CC[N@H+](CCNC(=O)c2cc(Cl)sc2Cl)C1 ZINC000525291612 295010594 /nfs/dbraw/zinc/01/05/94/295010594.db2.gz LFOSHZUVJQLOAU-QMMMGPOBSA-N 1 0 307.246 3.127 10 0 DGAERO CC[C@@H](Cc1ccccc1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000525677637 295025462 /nfs/dbraw/zinc/02/54/62/295025462.db2.gz HGIUMCYUFGXXAP-IBGZPJMESA-N 1 0 316.489 3.494 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@@H]1CCCCS1)CC2 ZINC000526014266 295050961 /nfs/dbraw/zinc/05/09/61/295050961.db2.gz OTHALTIVTXKYNZ-STQMWFEESA-N 1 0 321.490 3.040 10 0 DGAERO c1cc(-c2n[nH]cc2C[NH+]2CCC(c3c[nH]cn3)CC2)cs1 ZINC000526124473 295060257 /nfs/dbraw/zinc/06/02/57/295060257.db2.gz OLWIUOVEPGSSID-UHFFFAOYSA-N 1 0 313.430 3.241 10 0 DGAERO NC(=O)N1CCC([NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000168480619 295061434 /nfs/dbraw/zinc/06/14/34/295061434.db2.gz VVOWPMCPSJHMJG-KRWDZBQOSA-N 1 0 319.424 3.190 10 0 DGAERO Cc1ccc(F)c(NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000526962894 295065502 /nfs/dbraw/zinc/06/55/02/295065502.db2.gz RULJDZHWVHXVKP-MRXNPFEDSA-N 1 0 307.413 3.376 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2Br)C1 ZINC000527720226 295120826 /nfs/dbraw/zinc/12/08/26/295120826.db2.gz IDNFMYHDNGOZOZ-KOLCDFICSA-N 1 0 304.253 3.151 10 0 DGAERO CO[C@H](C[NH2+]Cc1ccc(Br)c(F)c1F)C1CC1 ZINC000527711569 295118656 /nfs/dbraw/zinc/11/86/56/295118656.db2.gz KJXXRPOIKUIKPF-LLVKDONJSA-N 1 0 320.177 3.242 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@H]2C)CN1Cc1ccccc1 ZINC000527804506 295133704 /nfs/dbraw/zinc/13/37/04/295133704.db2.gz QKAXMAQGIPNGPA-MVCWPVRBSA-N 1 0 302.462 3.051 10 0 DGAERO c1ccc(-c2ncc(C[NH2+]C[C@@H]3CCN3C3CCCC3)cn2)cc1 ZINC000527805768 295133757 /nfs/dbraw/zinc/13/37/57/295133757.db2.gz HXKCCTRKWWMYJG-IBGZPJMESA-N 1 0 322.456 3.250 10 0 DGAERO Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000408443663 434576920 /nfs/dbraw/zinc/57/69/20/434576920.db2.gz OPDSSRLLZLNZQQ-ZFWWWQNUSA-N 1 0 314.433 3.423 10 0 DGAERO CCn1nncc1CN[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000459386690 434576974 /nfs/dbraw/zinc/57/69/74/434576974.db2.gz LZKXGLDUHUIZTM-GFCCVEGCSA-N 1 0 318.396 3.077 10 0 DGAERO COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000248822315 295249291 /nfs/dbraw/zinc/24/92/91/295249291.db2.gz FYUAUGDMEIUSBT-IAGOWNOFSA-N 1 0 315.413 3.318 10 0 DGAERO CC[C@]1(CO)CCC[N@@H+]1Cc1c(F)cccc1Br ZINC000439293761 434588616 /nfs/dbraw/zinc/58/86/16/434588616.db2.gz DUTJLXCZRMZUPZ-CQSZACIVSA-N 1 0 316.214 3.325 10 0 DGAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261753790 295298070 /nfs/dbraw/zinc/29/80/70/295298070.db2.gz UDMNBINTPDZXQC-FDYHWXHSSA-N 1 0 306.372 3.131 10 0 DGAERO COc1cccc2c(N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)ccnc12 ZINC000249647652 295332998 /nfs/dbraw/zinc/33/29/98/295332998.db2.gz XXQANSQQFSCPCR-HOCLYGCPSA-N 1 0 311.429 3.164 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)NCC[NH2+]C(C)(C)C ZINC000439490256 434616006 /nfs/dbraw/zinc/61/60/06/434616006.db2.gz AUSXLRBDHDOLCR-INIZCTEOSA-N 1 0 320.477 3.472 10 0 DGAERO Cc1ccccc1CCC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000440323364 434694124 /nfs/dbraw/zinc/69/41/24/434694124.db2.gz HFBWTGQZQCMICR-HXUWFJFHSA-N 1 0 322.452 3.491 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(I)cc1 ZINC000424326788 434695503 /nfs/dbraw/zinc/69/55/03/434695503.db2.gz PCBDHGBBQOFDDQ-BXKDBHETSA-N 1 0 313.182 3.494 10 0 DGAERO c1csc([C@H](Cc2ccncc2)[NH2+]CC[C@@H]2CCOC2)c1 ZINC000424282552 434675245 /nfs/dbraw/zinc/67/52/45/434675245.db2.gz QJTZLVSUYMCOPG-CVEARBPZSA-N 1 0 302.443 3.443 10 0 DGAERO CCO[C@@H](C)c1nc(C[NH2+]C2(CCO)CCCCC2)cs1 ZINC000440902839 434752417 /nfs/dbraw/zinc/75/24/17/434752417.db2.gz IKJLATJWGNZUQI-ZDUSSCGKSA-N 1 0 312.479 3.416 10 0 DGAERO Brc1cccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459798480 434723183 /nfs/dbraw/zinc/72/31/83/434723183.db2.gz VBTZCUSYTQOFLO-AAEUAGOBSA-N 1 0 314.248 3.018 10 0 DGAERO CC(C)[NH2+]C1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411369893 434768980 /nfs/dbraw/zinc/76/89/80/434768980.db2.gz YYMUPWZPICXCJB-UHFFFAOYSA-N 1 0 317.408 3.443 10 0 DGAERO COc1ccc(Br)cc1SC[C@@H](C)[NH+](C)C ZINC000460451702 434757671 /nfs/dbraw/zinc/75/76/71/434757671.db2.gz CGKIRXBRFREXQX-SECBINFHSA-N 1 0 304.253 3.500 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2c(c1)COC(C)(C)O2 ZINC000248690664 297101064 /nfs/dbraw/zinc/10/10/64/297101064.db2.gz AVDBYHFEKHIVMK-PBHICJAKSA-N 1 0 316.445 3.000 10 0 DGAERO c1ccc2sc(N3CCC([NH2+][C@@H]4CCCOC4)CC3)nc2c1 ZINC000371971753 434777452 /nfs/dbraw/zinc/77/74/52/434777452.db2.gz AGJOUBGVLWZHHX-CQSZACIVSA-N 1 0 317.458 3.034 10 0 DGAERO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000453052274 434784301 /nfs/dbraw/zinc/78/43/01/434784301.db2.gz CMJKDJHBQLKBIW-OAHLLOKOSA-N 1 0 312.413 3.354 10 0 DGAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC(C)(C)C1 ZINC000248622173 297326780 /nfs/dbraw/zinc/32/67/80/297326780.db2.gz YFQSJDCENONGHG-WCXIOVBPSA-N 1 0 306.494 3.392 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@@H](Nc2ccccc2)C(C)C)CCOCC1 ZINC000453105580 434802409 /nfs/dbraw/zinc/80/24/09/434802409.db2.gz XCZXLCXBVLMOLS-FUHWJXTLSA-N 1 0 320.477 3.297 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453104482 434802904 /nfs/dbraw/zinc/80/29/04/434802904.db2.gz UENOBBSDHPLOOV-FYQPLNBISA-N 1 0 314.473 3.198 10 0 DGAERO O=C(C[N@@H+]1CCCC12CCC2)N1CCc2[nH]c3ccccc3c2C1 ZINC000444777202 434791131 /nfs/dbraw/zinc/79/11/31/434791131.db2.gz FEWRATBCOPGNTJ-UHFFFAOYSA-N 1 0 323.440 3.071 10 0 DGAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)c1nc(C)cs1)CO2 ZINC000453081543 434795147 /nfs/dbraw/zinc/79/51/47/434795147.db2.gz APDRVHCWTUKZTE-AAEUAGOBSA-N 1 0 304.415 3.114 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(Br)c1Cl)[C@H](C)CO ZINC000411527943 434796514 /nfs/dbraw/zinc/79/65/14/434796514.db2.gz GKLUICCOURUDHL-RKDXNWHRSA-N 1 0 306.631 3.209 10 0 DGAERO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)C2(OC)CCOCC2)cc1 ZINC000453176730 434821569 /nfs/dbraw/zinc/82/15/69/434821569.db2.gz MWAFESYWZYTIEW-HZPDHXFCSA-N 1 0 321.461 3.048 10 0 DGAERO CCn1ccnc1[C@@H](C)[NH2+]CCOCc1ccc(Cl)cc1 ZINC000453172292 434821581 /nfs/dbraw/zinc/82/15/81/434821581.db2.gz MQJLRNJEGHJJST-CYBMUJFWSA-N 1 0 307.825 3.424 10 0 DGAERO c1ccc(OCCOCC[NH2+][C@H](c2cccnc2)C2CC2)cc1 ZINC000445808840 434827962 /nfs/dbraw/zinc/82/79/62/434827962.db2.gz CPTUQAWPHIURKJ-IBGZPJMESA-N 1 0 312.413 3.218 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccsc1 ZINC000453209473 434829425 /nfs/dbraw/zinc/82/94/25/434829425.db2.gz ILJXDJAJGNEQHG-VNQPRFMTSA-N 1 0 309.475 3.357 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2c(F)cccc2SC)CCOCC1 ZINC000453221669 434832830 /nfs/dbraw/zinc/83/28/30/434832830.db2.gz YFAIMGNMNXOOHG-LBPRGKRZSA-N 1 0 313.438 3.221 10 0 DGAERO COC[C@@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000372597528 434842659 /nfs/dbraw/zinc/84/26/59/434842659.db2.gz ZYWNSCDXJXLMBR-HUBLWGQQSA-N 1 0 318.244 3.226 10 0 DGAERO CCCCN(Cc1ccccc1F)C(=O)NCC[N@H+](C)C1CC1 ZINC000491892762 434876808 /nfs/dbraw/zinc/87/68/08/434876808.db2.gz SEILYJKNEFLYQP-UHFFFAOYSA-N 1 0 321.440 3.232 10 0 DGAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](C)CC1 ZINC000461713433 434883890 /nfs/dbraw/zinc/88/38/90/434883890.db2.gz DDERQJUYOBGUDD-DLBZAZTESA-N 1 0 317.477 3.339 10 0 DGAERO C=Cc1ccc(CCNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000462565174 434919501 /nfs/dbraw/zinc/91/95/01/434919501.db2.gz KRTULXGEKKIJSY-GOSISDBHSA-N 1 0 300.446 3.253 10 0 DGAERO CC(C)c1ccc(/C=C\CC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000492111701 434916833 /nfs/dbraw/zinc/91/68/33/434916833.db2.gz VQGWAKTYQURKMS-CHYADLBTSA-N 1 0 300.446 3.281 10 0 DGAERO CC[N@H+](CCC1CCN(C(=O)N[C@@H](C)C2CC2)CC1)CC1CC1 ZINC000552775240 434870553 /nfs/dbraw/zinc/87/05/53/434870553.db2.gz AKJHPYJEVBTYCV-HNNXBMFYSA-N 1 0 321.509 3.329 10 0 DGAERO CC[C@@H](Nc1ccccc1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000461213335 434873176 /nfs/dbraw/zinc/87/31/76/434873176.db2.gz CXEXKNGOTGHNLV-GOSISDBHSA-N 1 0 317.477 3.115 10 0 DGAERO O=C(NCCCC1CC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000522906154 434935860 /nfs/dbraw/zinc/93/58/60/434935860.db2.gz HGIFDXVAIVNVGR-GOSISDBHSA-N 1 0 315.461 3.140 10 0 DGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCCC2CC2)C1 ZINC000522973248 434937683 /nfs/dbraw/zinc/93/76/83/434937683.db2.gz ORJZMUNNQANTTI-YJBOKZPZSA-N 1 0 315.461 3.311 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c4ccc(C)cc34)[C@H]2C1 ZINC000554690455 434943374 /nfs/dbraw/zinc/94/33/74/434943374.db2.gz WTJINWCCJHSLJA-VDZJLULYSA-N 1 0 323.440 3.024 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000523471519 434950617 /nfs/dbraw/zinc/95/06/17/434950617.db2.gz OTZXWHSFVFVHQL-KRWDZBQOSA-N 1 0 317.477 3.274 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462784651 434927359 /nfs/dbraw/zinc/92/73/59/434927359.db2.gz FTNDJHYRSGUWQF-HNNXBMFYSA-N 1 0 320.477 3.462 10 0 DGAERO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462787537 434928558 /nfs/dbraw/zinc/92/85/58/434928558.db2.gz KWUOIGQTDXZHKE-XJKSGUPXSA-N 1 0 307.434 3.139 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462794359 434928976 /nfs/dbraw/zinc/92/89/76/434928976.db2.gz XNBKTPGLRHAAMP-INIZCTEOSA-N 1 0 307.434 3.283 10 0 DGAERO CN(C)C(C)(C)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462801520 434930189 /nfs/dbraw/zinc/93/01/89/434930189.db2.gz JRFPSJLJLXQSPL-UHFFFAOYSA-N 1 0 306.450 3.072 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000462811499 434930667 /nfs/dbraw/zinc/93/06/67/434930667.db2.gz XAYKHNBFTQXWSD-DLBZAZTESA-N 1 0 307.434 3.386 10 0 DGAERO c1ccc(-c2ncc(C[N@@H+]3CCC[C@]4(CCOC4)C3)cn2)cc1 ZINC000573891813 434933398 /nfs/dbraw/zinc/93/33/98/434933398.db2.gz LXDNAHSZFQQGHW-IBGZPJMESA-N 1 0 309.413 3.146 10 0 DGAERO CC[C@@H]([NH2+]Cc1snc(OC)c1Br)C(C)C ZINC000638425434 435029176 /nfs/dbraw/zinc/02/91/76/435029176.db2.gz GDJUVYLFOQZVPA-MRVPVSSYSA-N 1 0 307.257 3.438 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cc3ccccc3n2C)CC1 ZINC000524672297 434984950 /nfs/dbraw/zinc/98/49/50/434984950.db2.gz QGKMPRVWHKNWFC-UHFFFAOYSA-N 1 0 313.445 3.030 10 0 DGAERO c1cc(-c2nc(CN3CC[C@@]4(C3)CCC[NH2+]C4)cs2)cs1 ZINC000574572289 434988619 /nfs/dbraw/zinc/98/86/19/434988619.db2.gz NACGYIWEXRIOAA-INIZCTEOSA-N 1 0 319.499 3.447 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000466081660 435058900 /nfs/dbraw/zinc/05/89/00/435058900.db2.gz FCACUTSTYNOFTH-ROUUACIJSA-N 1 0 321.509 3.376 10 0 DGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1snc(OC)c1Br ZINC000638698243 435072390 /nfs/dbraw/zinc/07/23/90/435072390.db2.gz PAVMBHJDBNTBRI-SFYZADRCSA-N 1 0 305.241 3.192 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 ZINC000578341425 435078063 /nfs/dbraw/zinc/07/80/63/435078063.db2.gz MKNPUFUPVYGALZ-TWMKSMIVSA-N 1 0 320.864 3.495 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC2(C1)CCCCC2 ZINC000465551418 435034405 /nfs/dbraw/zinc/03/44/05/435034405.db2.gz USDXEZYVGJGFAI-MRXNPFEDSA-N 1 0 307.482 3.227 10 0 DGAERO CC[C@H]1CCCC[C@@H]1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000465667286 435037411 /nfs/dbraw/zinc/03/74/11/435037411.db2.gz WOFRONXYTPMIFP-IRXDYDNUSA-N 1 0 309.498 3.376 10 0 DGAERO CCC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000638477476 435040268 /nfs/dbraw/zinc/04/02/68/435040268.db2.gz UUMCLZQDDZPAGA-VIFPVBQESA-N 1 0 323.593 3.308 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@H](C)C2CCCCC2)CC1 ZINC000465994522 435055798 /nfs/dbraw/zinc/05/57/98/435055798.db2.gz NKRZPTWRNUFFIB-OAHLLOKOSA-N 1 0 309.498 3.376 10 0 DGAERO c1[nH]nc2c1CC[C@H]([NH2+]Cc1csc(-c3ccccc3)n1)C2 ZINC000531566751 435103655 /nfs/dbraw/zinc/10/36/55/435103655.db2.gz YSQKFWWBCJROEL-AWEZNQCLSA-N 1 0 310.426 3.180 10 0 DGAERO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000531954694 435128281 /nfs/dbraw/zinc/12/82/81/435128281.db2.gz JOVDJJWUYLMPFN-NOZJJQNGSA-N 1 0 317.658 3.142 10 0 DGAERO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn(C)nc1C(C)(C)C ZINC000475277950 435188459 /nfs/dbraw/zinc/18/84/59/435188459.db2.gz ZTAOSAPPPLZQGM-JQWIXIFHSA-N 1 0 303.372 3.490 10 0 DGAERO Cc1ccc(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000532802840 435193577 /nfs/dbraw/zinc/19/35/77/435193577.db2.gz CGFXQBBMSONQJT-KRWDZBQOSA-N 1 0 318.461 3.245 10 0 DGAERO O=C(C[N@@H+]1CCC2(C1)CCCCC2)NCc1ccc(F)cc1 ZINC000532974008 435202495 /nfs/dbraw/zinc/20/24/95/435202495.db2.gz JYKGMYQLZXVZGM-UHFFFAOYSA-N 1 0 304.409 3.098 10 0 DGAERO Cc1cc(C)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c(C)c1 ZINC000475627676 435206487 /nfs/dbraw/zinc/20/64/87/435206487.db2.gz UGZKLYDTPORZEA-IBGZPJMESA-N 1 0 303.446 3.382 10 0 DGAERO CC(C)C(C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1)C(C)C ZINC000560258807 435157659 /nfs/dbraw/zinc/15/76/59/435157659.db2.gz TUCRGKJYWBIYQY-GOSISDBHSA-N 1 0 302.462 3.478 10 0 DGAERO C[C@H]1C[N@H+](C)C[C@@H]1NCc1cc(Cl)ccc1Br ZINC000561526103 435221570 /nfs/dbraw/zinc/22/15/70/435221570.db2.gz LTLBENSQKYQVMT-ZANVPECISA-N 1 0 317.658 3.142 10 0 DGAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000183920433 298317680 /nfs/dbraw/zinc/31/76/80/298317680.db2.gz SBZAEGOSNZYWKR-UWWQBHOKSA-N 1 0 318.461 3.142 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478233861 435293932 /nfs/dbraw/zinc/29/39/32/435293932.db2.gz OMOYQKCQFJVUMU-CGTJXYLNSA-N 1 0 318.436 3.452 10 0 DGAERO C([C@H]1CCCCO1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000567301311 435305601 /nfs/dbraw/zinc/30/56/01/435305601.db2.gz WPBDMIGRADJLJN-HUUCEWRRSA-N 1 0 305.422 3.433 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000511253591 435318593 /nfs/dbraw/zinc/31/85/93/435318593.db2.gz OLFUXAYMMLNZKM-MRXNPFEDSA-N 1 0 315.461 3.257 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000479044250 435318734 /nfs/dbraw/zinc/31/87/34/435318734.db2.gz SGGVRFQXYSSNQS-MRXNPFEDSA-N 1 0 307.482 3.106 10 0 DGAERO CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccc(C)cc1 ZINC000479117691 435321070 /nfs/dbraw/zinc/32/10/70/435321070.db2.gz CDHWIQOSLQKGAJ-ZDUSSCGKSA-N 1 0 304.463 3.316 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000535583602 435338476 /nfs/dbraw/zinc/33/84/76/435338476.db2.gz UCRGTBOFDSHPFS-FQEVSTJZSA-N 1 0 314.473 3.332 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000481125705 435411924 /nfs/dbraw/zinc/41/19/24/435411924.db2.gz LPNFGOGQLGLGKR-OCCSQVGLSA-N 1 0 318.417 3.158 10 0 DGAERO Cc1ccc2[nH]c(C(F)(F)Br)c(CC[NH3+])c2c1 ZINC000536959557 435422095 /nfs/dbraw/zinc/42/20/95/435422095.db2.gz KIPGQSJJUGREBI-UHFFFAOYSA-N 1 0 303.150 3.422 10 0 DGAERO CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cc(F)cc(Cl)c2)C1 ZINC000643772496 435368381 /nfs/dbraw/zinc/36/83/81/435368381.db2.gz DEERZCXPWZZIRC-KGLIPLIRSA-N 1 0 309.772 3.164 10 0 DGAERO c1ccc(Oc2cccnc2)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567990261 435377419 /nfs/dbraw/zinc/37/74/19/435377419.db2.gz NWAHJHIFHPLDRT-HXUWFJFHSA-N 1 0 323.440 3.449 10 0 DGAERO CC(C)C[C@H](C)C[C@H](C)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480712979 435394042 /nfs/dbraw/zinc/39/40/42/435394042.db2.gz VPCOWDMGGQMKPU-IRXDYDNUSA-N 1 0 319.493 3.469 10 0 DGAERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@@H](C)Cc1ccccc1 ZINC000485985401 298660970 /nfs/dbraw/zinc/66/09/70/298660970.db2.gz PESXFCTXIPJVAS-ZJPYXAASSA-N 1 0 316.489 3.348 10 0 DGAERO c1nc2cc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)ccc2[nH]1 ZINC000537865315 435469506 /nfs/dbraw/zinc/46/95/06/435469506.db2.gz XTHGFLOOWMTFAQ-VQIMIIECSA-N 1 0 307.397 3.430 10 0 DGAERO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CC[C@H](C)OCc1ccccc1 ZINC000515267263 435472798 /nfs/dbraw/zinc/47/27/98/435472798.db2.gz QDKWLSLWDRMPRD-WMZOPIPTSA-N 1 0 319.445 3.398 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000537215399 435433403 /nfs/dbraw/zinc/43/34/03/435433403.db2.gz DTUHQVPJYNQNNA-MOPGFXCFSA-N 1 0 310.441 3.353 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C1(CC)CC ZINC000537293173 435435039 /nfs/dbraw/zinc/43/50/39/435435039.db2.gz XMRVJXYKTWOTQW-RCCFBDPRSA-N 1 0 305.462 3.336 10 0 DGAERO CC[N@H+](CCC1CCN(C(=O)NC[C@H]2C[C@@H]2C)CC1)CC1CC1 ZINC000538913832 435531897 /nfs/dbraw/zinc/53/18/97/435531897.db2.gz LMMLXPATTWWZJD-MAUKXSAKSA-N 1 0 321.509 3.186 10 0 DGAERO C[C@@H](CCO)[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1 ZINC000538961070 435531966 /nfs/dbraw/zinc/53/19/66/435531966.db2.gz ZIBUJUAPOZRVIU-INIZCTEOSA-N 1 0 317.404 3.478 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000482985408 435490414 /nfs/dbraw/zinc/49/04/14/435490414.db2.gz DFTYRVKIYGDHDR-KSZLIROESA-N 1 0 316.489 3.349 10 0 DGAERO CC(C)Cc1ccc(CCC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000539417763 435553197 /nfs/dbraw/zinc/55/31/97/435553197.db2.gz VTSSXICHWDJBFS-UHFFFAOYSA-N 1 0 304.478 3.228 10 0 DGAERO c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000540153050 435590658 /nfs/dbraw/zinc/59/06/58/435590658.db2.gz CTKGSHUBSIZTJJ-YDZRNGNQSA-N 1 0 301.430 3.250 10 0 DGAERO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000540162967 435591104 /nfs/dbraw/zinc/59/11/04/435591104.db2.gz HKBMAOOTGZUHCQ-GOEBONIOSA-N 1 0 324.415 3.291 10 0 DGAERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1(C)C ZINC000484287614 435541968 /nfs/dbraw/zinc/54/19/68/435541968.db2.gz GUGGBYAXDINZOV-XGXHKWSGSA-N 1 0 316.489 3.300 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500183 435546144 /nfs/dbraw/zinc/54/61/44/435546144.db2.gz HOOWNPQGTCMDDM-LEAZDLGRSA-N 1 0 316.489 3.038 10 0 DGAERO CCCC[N@@H+]1CCCC[C@H]1CNCc1cc(OC)ccc1OC ZINC000518274487 435632916 /nfs/dbraw/zinc/63/29/16/435632916.db2.gz LAXQEVMKMMTVMQ-KRWDZBQOSA-N 1 0 320.477 3.448 10 0 DGAERO C(c1nc(C2CCCC2)no1)N1CCC[C@]2(CCCOC2)C1 ZINC000570578175 435632929 /nfs/dbraw/zinc/63/29/29/435632929.db2.gz UHCXHRMFCMQAJG-KRWDZBQOSA-N 1 0 305.422 3.120 10 0 DGAERO COC[C@H]([NH2+]CCc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000540476807 435603780 /nfs/dbraw/zinc/60/37/80/435603780.db2.gz SHFFEXSTURTINS-SFHVURJKSA-N 1 0 303.377 3.354 10 0 DGAERO c1nc2cc(C[NH2+]CCc3ccc4ccccc4n3)ccc2[nH]1 ZINC000518785188 435655425 /nfs/dbraw/zinc/65/54/25/435655425.db2.gz QCVFIUQSTQQBMZ-UHFFFAOYSA-N 1 0 302.381 3.443 10 0 DGAERO CCCn1c(C[NH2+]CCOCC2CCC2)nc2ccccc21 ZINC000570988152 435668181 /nfs/dbraw/zinc/66/81/81/435668181.db2.gz QAWXTGZAFQGOCN-UHFFFAOYSA-N 1 0 301.434 3.353 10 0 DGAERO CC(C)[C@@H]1C[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)CS1 ZINC000488412282 435637715 /nfs/dbraw/zinc/63/77/15/435637715.db2.gz LIMNRRIWSMKJEB-VBQJREDUSA-N 1 0 307.459 3.336 10 0 DGAERO CCCC[C@H](C(=O)OC)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059028 435701185 /nfs/dbraw/zinc/70/11/85/435701185.db2.gz QSAXFSPHELAQQM-QZTJIDSGSA-N 1 0 324.509 3.306 10 0 DGAERO C[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1ccc(S(C)(=O)=O)cc1 ZINC000655701022 435737556 /nfs/dbraw/zinc/73/75/56/435737556.db2.gz OWJQTYKNUOMXHI-MBNYWOFBSA-N 1 0 313.488 3.025 10 0 DGAERO CC[N@H+](CCN1CCCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000519796640 435708764 /nfs/dbraw/zinc/70/87/64/435708764.db2.gz XCHTWAYZMRVRTD-KRWDZBQOSA-N 1 0 304.478 3.434 10 0 DGAERO c1ccc([C@H]([NH2+][C@@H]2CCC23CCOCC3)[C@H]2CCOC2)cc1 ZINC000548858108 435722685 /nfs/dbraw/zinc/72/26/85/435722685.db2.gz HDRBSVFUHDZHEO-KSZLIROESA-N 1 0 301.430 3.313 10 0 DGAERO c1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)nc2c1CCC2 ZINC000572249931 435801333 /nfs/dbraw/zinc/80/13/33/435801333.db2.gz RRWYVLISXWLJSQ-GOSISDBHSA-N 1 0 300.446 3.494 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000333550212 300674976 /nfs/dbraw/zinc/67/49/76/300674976.db2.gz KDJNJEXPBXIERP-RANZSIQMSA-N 1 0 315.461 3.092 10 0 DGAERO Brc1cccnc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656608855 435983490 /nfs/dbraw/zinc/98/34/90/435983490.db2.gz NRKKXQVPOYPQOP-ZDUSSCGKSA-N 1 0 324.266 3.060 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCSCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000657851166 436327138 /nfs/dbraw/zinc/32/71/38/436327138.db2.gz AZVIIIGCAUVQCZ-GXTWGEPZSA-N 1 0 313.488 3.026 10 0 DGAERO CCC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000662857569 436395505 /nfs/dbraw/zinc/39/55/05/436395505.db2.gz AAJHOQJKRGBGKQ-JTQLQIEISA-N 1 0 319.630 3.477 10 0 DGAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663010352 436405554 /nfs/dbraw/zinc/40/55/54/436405554.db2.gz SZKJSKICPWJDLS-SECBINFHSA-N 1 0 310.703 3.305 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000658246398 436409569 /nfs/dbraw/zinc/40/95/69/436409569.db2.gz YXRAOSUGZWWDLN-VHSXEESVSA-N 1 0 301.217 3.122 10 0 DGAERO CC(C)[C@H]([NH3+])CCNc1ncc(Br)cc1Cl ZINC000663275391 436432264 /nfs/dbraw/zinc/43/22/64/436432264.db2.gz HJBRGDYPPHLUKA-SNVBAGLBSA-N 1 0 306.635 3.283 10 0 DGAERO CC(C)[C@H]([NH3+])CCNc1ncc(Cl)cc1Br ZINC000663276052 436432549 /nfs/dbraw/zinc/43/25/49/436432549.db2.gz JRSFHTONNFJPIL-SNVBAGLBSA-N 1 0 306.635 3.283 10 0 DGAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2ccnn2C)oc1C ZINC000658270314 436415085 /nfs/dbraw/zinc/41/50/85/436415085.db2.gz SJZGDQMVMFZLHY-QIIPPGSGSA-N 1 0 317.433 3.448 10 0 DGAERO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000163761293 302125071 /nfs/dbraw/zinc/12/50/71/302125071.db2.gz DHEVKJRCRSTHBX-QGZVFWFLSA-N 1 0 303.450 3.215 10 0 DGAERO Cc1ccccc1[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000112218559 302132085 /nfs/dbraw/zinc/13/20/85/302132085.db2.gz PQBWRVFNXLQWHI-WBVHZDCISA-N 1 0 303.450 3.038 10 0 DGAERO NC(=O)N1CCC([NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000168480515 303262877 /nfs/dbraw/zinc/26/28/77/303262877.db2.gz VVOWPMCPSJHMJG-QGZVFWFLSA-N 1 0 319.424 3.190 10 0 DGAERO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c(Cl)cc1F ZINC000133889171 312678365 /nfs/dbraw/zinc/67/83/65/312678365.db2.gz UBWJKQJABTZLHQ-UHFFFAOYSA-N 1 0 321.783 3.496 10 0 DGAERO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170858625 312703747 /nfs/dbraw/zinc/70/37/47/312703747.db2.gz JOLRYZMRYGRUTJ-LBPRGKRZSA-N 1 0 306.793 3.171 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cnc(-c2ccco2)s1 ZINC000171533472 312723404 /nfs/dbraw/zinc/72/34/04/312723404.db2.gz WYFFUSSPTTVKLI-LBPRGKRZSA-N 1 0 321.446 3.109 10 0 DGAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC(C)(C)C)c1 ZINC000172017943 312739397 /nfs/dbraw/zinc/73/93/97/312739397.db2.gz AUIOZMXTYMCCDN-UHFFFAOYSA-N 1 0 305.466 3.114 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC2(CC2)c2ccccc21 ZINC000172475509 312749218 /nfs/dbraw/zinc/74/92/18/312749218.db2.gz DNMARCLVMLQTJV-HNNXBMFYSA-N 1 0 315.461 3.224 10 0 DGAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H](C)C(C)C)c1 ZINC000178578474 312790840 /nfs/dbraw/zinc/79/08/40/312790840.db2.gz VOBYJUMNHTZULM-KBPBESRZSA-N 1 0 322.449 3.303 10 0 DGAERO O[C@H](C[N@@H+]1CCS[C@@H](c2ccccc2)C1)CC(F)(F)F ZINC000376954033 313002258 /nfs/dbraw/zinc/00/22/58/313002258.db2.gz IKYATKUWYKDAKR-QWHCGFSZSA-N 1 0 305.365 3.090 10 0 DGAERO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000377221711 313029743 /nfs/dbraw/zinc/02/97/43/313029743.db2.gz KCJRHKQVLWLGSL-IRXDYDNUSA-N 1 0 319.836 3.334 10 0 DGAERO C[C@H]1CC(F)(F)CCN1Cc1ccc(Br)cn1 ZINC000528763710 313076289 /nfs/dbraw/zinc/07/62/89/313076289.db2.gz BBSMJGHCACEYGF-VIFPVBQESA-N 1 0 305.166 3.464 10 0 DGAERO CN(Cc1ccsc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000529524259 313216127 /nfs/dbraw/zinc/21/61/27/313216127.db2.gz PVNODSVWQLSNMQ-LLVKDONJSA-N 1 0 317.296 3.284 10 0 DGAERO CCOC[C@@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000529533488 313219644 /nfs/dbraw/zinc/21/96/44/313219644.db2.gz WYZKGRQPHNJQHQ-SNVBAGLBSA-N 1 0 304.253 3.369 10 0 DGAERO c1ccc(COc2ccccc2CN[C@@H]2CC[NH2+]C23CCC3)nc1 ZINC000530176184 313333896 /nfs/dbraw/zinc/33/38/96/313333896.db2.gz CKCIDPVNGOZAEH-LJQANCHMSA-N 1 0 323.440 3.035 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000530365774 313361982 /nfs/dbraw/zinc/36/19/82/313361982.db2.gz PVVWPZLNUQTEJU-WCQYABFASA-N 1 0 312.816 3.388 10 0 DGAERO CC(C)C[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531677769 313479748 /nfs/dbraw/zinc/47/97/48/313479748.db2.gz VYQWQVMZMRFXBT-HOTGVXAUSA-N 1 0 309.523 3.061 10 0 DGAERO c1cc(OC[C@H]2CCCOC2)ccc1OCC[NH+]1CCCCC1 ZINC000532708360 313571504 /nfs/dbraw/zinc/57/15/04/313571504.db2.gz SYDKQWSNVPNTNE-KRWDZBQOSA-N 1 0 319.445 3.357 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)C1 ZINC000539216699 313903410 /nfs/dbraw/zinc/90/34/10/313903410.db2.gz GWXHNIBJJNOPEK-JKSUJKDBSA-N 1 0 323.868 3.431 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCCc2ccc(OC)c(OC)c2)C1(C)C ZINC000539499568 313915870 /nfs/dbraw/zinc/91/58/70/313915870.db2.gz HRTHEOVBAZDJSC-QZTJIDSGSA-N 1 0 321.461 3.430 10 0 DGAERO COC[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000540162567 313950303 /nfs/dbraw/zinc/95/03/03/313950303.db2.gz ALWQFYVBGGDCKT-SHARSMKWSA-N 1 0 317.351 3.200 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1ccccc1CCC(F)(F)F ZINC000540515753 313963675 /nfs/dbraw/zinc/96/36/75/313963675.db2.gz FQMHCPIQCGJPDS-UHFFFAOYSA-N 1 0 316.367 3.205 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000541442524 314014884 /nfs/dbraw/zinc/01/48/84/314014884.db2.gz MWWFIBUJCZKEDF-MRXNPFEDSA-N 1 0 307.482 3.249 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(Cl)c(F)c1 ZINC000541571893 314024149 /nfs/dbraw/zinc/02/41/49/314024149.db2.gz VXJKFPOANYQDML-JQWIXIFHSA-N 1 0 319.829 3.097 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(Cl)c(F)c1 ZINC000541571892 314024235 /nfs/dbraw/zinc/02/42/35/314024235.db2.gz VXJKFPOANYQDML-CMPLNLGQSA-N 1 0 319.829 3.097 10 0 DGAERO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000541696408 314032428 /nfs/dbraw/zinc/03/24/28/314032428.db2.gz DSYJYYRUJZVCPQ-QAPCUYQASA-N 1 0 302.462 3.062 10 0 DGAERO Cc1cc([C@H](NC(=O)N(C)CCC[NH+](C)C)C2CC2)ccc1F ZINC000542760356 314094673 /nfs/dbraw/zinc/09/46/73/314094673.db2.gz KKONLYSLRLUKPO-QGZVFWFLSA-N 1 0 321.440 3.178 10 0 DGAERO Cc1ccc(-c2noc(C[NH2+][C@@H](CO)C3CCCCC3)n2)cc1 ZINC000542913208 314106095 /nfs/dbraw/zinc/10/60/95/314106095.db2.gz HPQUMXPRRPLATP-INIZCTEOSA-N 1 0 315.417 3.076 10 0 DGAERO CC1CC[NH+](CCCCNC(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000543198943 314120433 /nfs/dbraw/zinc/12/04/33/314120433.db2.gz POPPESNYRGLFIJ-GOSISDBHSA-N 1 0 321.509 3.496 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000543208175 314121678 /nfs/dbraw/zinc/12/16/78/314121678.db2.gz KHCYLCRZTYTPBM-ZBFHGGJFSA-N 1 0 321.490 3.349 10 0 DGAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000543299860 314126370 /nfs/dbraw/zinc/12/63/70/314126370.db2.gz DUKXSSKRKKPMEI-XMTFNYHQSA-N 1 0 321.509 3.351 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000543591169 314143448 /nfs/dbraw/zinc/14/34/48/314143448.db2.gz FIAWWZRULKGCQM-CIRFHOKZSA-N 1 0 321.486 3.326 10 0 DGAERO OCCC1([NH2+]Cc2cc(Cl)cc3c2OCC3)CCCCC1 ZINC000543992336 314166939 /nfs/dbraw/zinc/16/69/39/314166939.db2.gz CQOVOTAGFPNQEN-UHFFFAOYSA-N 1 0 309.837 3.450 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC000544276952 314183136 /nfs/dbraw/zinc/18/31/36/314183136.db2.gz KILGMEAFYNHWSA-UHFFFAOYSA-N 1 0 300.402 3.408 10 0 DGAERO c1cnn(CCCCC[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000544547519 314197843 /nfs/dbraw/zinc/19/78/43/314197843.db2.gz RIKPBSLKKPTCDS-GOSISDBHSA-N 1 0 305.466 3.335 10 0 DGAERO CC[C@H](CCO)C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000544568261 314199468 /nfs/dbraw/zinc/19/94/68/314199468.db2.gz DJLURVHKKKLXIO-DYVFJYSZSA-N 1 0 321.852 3.161 10 0 DGAERO C[C@@H](c1noc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1)C1CC1 ZINC000545107407 314226466 /nfs/dbraw/zinc/22/64/66/314226466.db2.gz VLQZRDNPSHKPGB-CJNGLKHVSA-N 1 0 312.417 3.358 10 0 DGAERO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000545950355 314278263 /nfs/dbraw/zinc/27/82/63/314278263.db2.gz YEZKOAFREHZOTB-DOTOQJQBSA-N 1 0 317.429 3.457 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2cccc3c2CCCC3)CC1 ZINC000547277197 314352918 /nfs/dbraw/zinc/35/29/18/314352918.db2.gz AYBCEGFPIOXXKC-UHFFFAOYSA-N 1 0 313.445 3.339 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000563261354 315096666 /nfs/dbraw/zinc/09/66/66/315096666.db2.gz GNBHCUNIJKDTSY-JEMSNHSXSA-N 1 0 318.848 3.344 10 0 DGAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000563439602 315116035 /nfs/dbraw/zinc/11/60/35/315116035.db2.gz GRMLREVWKZZOFI-SOUVJXGZSA-N 1 0 301.496 3.291 10 0 DGAERO c1c[nH]c([C@H]([NH2+]C[C@@H]2CC23CCSCC3)c2cccnc2)n1 ZINC000565768911 315286058 /nfs/dbraw/zinc/28/60/58/315286058.db2.gz VFHDXNRWLJKASJ-LSDHHAIUSA-N 1 0 314.458 3.017 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC23CC3)cc1 ZINC000566216110 315322476 /nfs/dbraw/zinc/32/24/76/315322476.db2.gz OIKLMEZAYNZOJY-RBUKOAKNSA-N 1 0 314.473 3.342 10 0 DGAERO Clc1ccc(CNCCC[NH+]2CCC2)c(Br)c1 ZINC000566474457 315350683 /nfs/dbraw/zinc/35/06/83/315350683.db2.gz QDYGRDSYLIUEPD-UHFFFAOYSA-N 1 0 317.658 3.288 10 0 DGAERO Cc1c[nH+]ccc1N1CCC(C(=O)N2CC(C(C)(C)C)C2)CC1 ZINC000571380192 315715897 /nfs/dbraw/zinc/71/58/97/315715897.db2.gz ZIUZRKONSWSXEU-UHFFFAOYSA-N 1 0 315.461 3.111 10 0 DGAERO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cncc(Br)c1 ZINC000573266911 315852883 /nfs/dbraw/zinc/85/28/83/315852883.db2.gz SVIRJIZYDKZDLZ-HNNXBMFYSA-N 1 0 318.218 3.203 10 0 DGAERO Cn1cc(C[N@H+](C)CC2Cc3ccccc3C2)c(C(F)(F)F)n1 ZINC000577817937 316273204 /nfs/dbraw/zinc/27/32/04/316273204.db2.gz KEBLAQNATGPTOO-UHFFFAOYSA-N 1 0 323.362 3.286 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cccc(C)c2F)CC1 ZINC000179931493 323217713 /nfs/dbraw/zinc/21/77/13/323217713.db2.gz QZCPNIPGRYGWGO-UHFFFAOYSA-N 1 0 307.413 3.378 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000179996003 323219379 /nfs/dbraw/zinc/21/93/79/323219379.db2.gz JMUFOMUNEHERCQ-HNNXBMFYSA-N 1 0 322.497 3.259 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C(C)(C)C ZINC000180091571 323220827 /nfs/dbraw/zinc/22/08/27/323220827.db2.gz BRYGQLOVVYLVDL-CZUORRHYSA-N 1 0 311.491 3.353 10 0 DGAERO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000180171670 323223278 /nfs/dbraw/zinc/22/32/78/323223278.db2.gz CLTMQEFHPYXOEX-BZZMCLGOSA-N 1 0 300.446 3.374 10 0 DGAERO Cc1ccc([C@@H](C[NH2+][C@H](C)C(C)(C)C)N2CCOCC2)s1 ZINC000180655958 323234846 /nfs/dbraw/zinc/23/48/46/323234846.db2.gz NASNBMABGIIDJY-HUUCEWRRSA-N 1 0 310.507 3.454 10 0 DGAERO Cc1cccc([C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C(C)(C)C)c1 ZINC000180797877 323238831 /nfs/dbraw/zinc/23/88/31/323238831.db2.gz RDPDHVMCSLPHHI-HOCLYGCPSA-N 1 0 311.491 3.353 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)CCc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000181013949 323244104 /nfs/dbraw/zinc/24/41/04/323244104.db2.gz POZITPALFAXXSA-PBHICJAKSA-N 1 0 313.445 3.042 10 0 DGAERO CCn1c2ccccc2nc1NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000181168828 323248393 /nfs/dbraw/zinc/24/83/93/323248393.db2.gz SDFSNJYALHVGNL-KBPBESRZSA-N 1 0 314.433 3.292 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181257374 323250133 /nfs/dbraw/zinc/25/01/33/323250133.db2.gz CKBRMRIAKUCYTL-ZDUSSCGKSA-N 1 0 305.397 3.013 10 0 DGAERO CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C1(C)C ZINC000181566169 323259130 /nfs/dbraw/zinc/25/91/30/323259130.db2.gz WRGFRQPXZLGWBB-IAGOWNOFSA-N 1 0 309.425 3.247 10 0 DGAERO CC(C)COC[C@H](O)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000181600241 323260885 /nfs/dbraw/zinc/26/08/85/323260885.db2.gz WLIIMSRNEKCALD-PBHICJAKSA-N 1 0 315.404 3.285 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C)CCCCCC2)CC[N@@H+]1C ZINC000181720303 323265991 /nfs/dbraw/zinc/26/59/91/323265991.db2.gz ZENBGLTZGWZEMZ-CVEARBPZSA-N 1 0 309.498 3.471 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2nccn2CC(C)C)C12CCCC2 ZINC000181810224 323269964 /nfs/dbraw/zinc/26/99/64/323269964.db2.gz XCEVXXGHJMVYLZ-HOTGVXAUSA-N 1 0 305.466 3.367 10 0 DGAERO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000181928872 323275263 /nfs/dbraw/zinc/27/52/63/323275263.db2.gz GIKDOZLQLXPVRC-CABCVRRESA-N 1 0 316.445 3.285 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)CC(C)C)cc1F ZINC000182008530 323279936 /nfs/dbraw/zinc/27/99/36/323279936.db2.gz PLEICTWMYKQVRZ-UONOGXRCSA-N 1 0 324.440 3.378 10 0 DGAERO Cc1cccc(OCC[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000182027518 323280561 /nfs/dbraw/zinc/28/05/61/323280561.db2.gz NOSWWXALEWJLMT-INIZCTEOSA-N 1 0 322.412 3.305 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000182047452 323281245 /nfs/dbraw/zinc/28/12/45/323281245.db2.gz FNLUZIADTFJBES-PXAZEXFGSA-N 1 0 301.434 3.476 10 0 DGAERO C[C@H](C[NH2+]CCC(=O)N1CCCCCC1)Cc1ccccc1 ZINC000182075372 323282939 /nfs/dbraw/zinc/28/29/39/323282939.db2.gz PTZIIPCKICGALF-KRWDZBQOSA-N 1 0 302.462 3.248 10 0 DGAERO CC[N@@H+]1CCC[C@H](Nc2nnc(Cc3ccc(F)cc3)s2)C1 ZINC000182271646 323290035 /nfs/dbraw/zinc/29/00/35/323290035.db2.gz WRASVYCVSFIEAF-AWEZNQCLSA-N 1 0 320.437 3.164 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ncc(Cl)cc1Cl ZINC000182386965 323296537 /nfs/dbraw/zinc/29/65/37/323296537.db2.gz VMSJIMHGTFMCBF-LBPRGKRZSA-N 1 0 302.249 3.305 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1Cl ZINC000182528056 323304034 /nfs/dbraw/zinc/30/40/34/323304034.db2.gz JIAWBPVFJJJQNE-UHFFFAOYSA-N 1 0 323.824 3.150 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cccc(Cl)c1 ZINC000182598841 323305844 /nfs/dbraw/zinc/30/58/44/323305844.db2.gz OJFRTOQWGWCWDW-SMDDNHRTSA-N 1 0 303.855 3.061 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000182869044 323314059 /nfs/dbraw/zinc/31/40/59/323314059.db2.gz MSBMSGHBIWUKHW-SNVBAGLBSA-N 1 0 317.767 3.224 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)c1 ZINC000183472466 323338903 /nfs/dbraw/zinc/33/89/03/323338903.db2.gz TZQPIFLFPBEKAO-QGZVFWFLSA-N 1 0 300.446 3.105 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)c1 ZINC000183477179 323339053 /nfs/dbraw/zinc/33/90/53/323339053.db2.gz FTCNZAGOMQOTQH-GOSISDBHSA-N 1 0 308.425 3.392 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)cc1 ZINC000183487070 323339887 /nfs/dbraw/zinc/33/98/87/323339887.db2.gz PDSKUJHVMJLGKV-ZDUSSCGKSA-N 1 0 301.434 3.329 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000183655954 323344547 /nfs/dbraw/zinc/34/45/47/323344547.db2.gz HSZMMCFZNACHIR-MRXNPFEDSA-N 1 0 308.441 3.287 10 0 DGAERO CC(C)[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1ccccc1Cl ZINC000183700822 323345451 /nfs/dbraw/zinc/34/54/51/323345451.db2.gz UQGLVTODLQHQHT-DOMZBBRYSA-N 1 0 317.882 3.307 10 0 DGAERO CNC(=O)C(C)(C)C[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000183843626 323348999 /nfs/dbraw/zinc/34/89/99/323348999.db2.gz JQSPRONHUQFENR-UHFFFAOYSA-N 1 0 322.452 3.236 10 0 DGAERO OC[C@@H]([NH2+]CCc1ccccc1)c1cccc(Br)c1 ZINC000183898586 323350321 /nfs/dbraw/zinc/35/03/21/323350321.db2.gz JRGOWEOCTPVUQG-MRXNPFEDSA-N 1 0 320.230 3.315 10 0 DGAERO Fc1ccc([C@H]([NH2+]CCCn2ccnn2)C2CCCC2)cc1 ZINC000184264521 323360070 /nfs/dbraw/zinc/36/00/70/323360070.db2.gz HQBSHYHQAKQKET-QGZVFWFLSA-N 1 0 302.397 3.328 10 0 DGAERO COc1ccccc1[C@@H]([NH2+]CCCn1ccnn1)C1CCCC1 ZINC000184270436 323360791 /nfs/dbraw/zinc/36/07/91/323360791.db2.gz BFXZSRYLNHHODG-SFHVURJKSA-N 1 0 314.433 3.198 10 0 DGAERO Fc1ccccc1[C@H]([NH2+]CCCn1ccnn1)C1CCCC1 ZINC000184277233 323361090 /nfs/dbraw/zinc/36/10/90/323361090.db2.gz OQDKSSWJBFNVTE-QGZVFWFLSA-N 1 0 302.397 3.328 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cc2ccccc2s1 ZINC000184364236 323362775 /nfs/dbraw/zinc/36/27/75/323362775.db2.gz URLUYHWGCXOCFM-NWDGAFQWSA-N 1 0 311.472 3.233 10 0 DGAERO Cc1cc(C)n2c(C[NH2+][C@@H]3CCCO[C@@H]3CC(C)C)cnc2n1 ZINC000185194016 323383560 /nfs/dbraw/zinc/38/35/60/323383560.db2.gz RPAYABLMGOMNJR-IAGOWNOFSA-N 1 0 316.449 3.029 10 0 DGAERO Cc1cccc2c(NCC3CCS(=O)(=O)CC3)c(C)c[nH+]c12 ZINC000185362285 323388098 /nfs/dbraw/zinc/38/80/98/323388098.db2.gz YWYZQOKMSZDKOX-UHFFFAOYSA-N 1 0 318.442 3.088 10 0 DGAERO CC[C@@H](NCc1cc(-c2cnn(C)c2C)no1)c1nccs1 ZINC000185435904 323389442 /nfs/dbraw/zinc/38/94/42/323389442.db2.gz AOISEVXXNBTMNW-CYBMUJFWSA-N 1 0 317.418 3.081 10 0 DGAERO C[C@]1(C(N)=O)CCCCN1Cc1ccc(Cl)cc1Cl ZINC000185908761 323398834 /nfs/dbraw/zinc/39/88/34/323398834.db2.gz PTQWUWNHXZTMAQ-CQSZACIVSA-N 1 0 301.217 3.223 10 0 DGAERO CCC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cccnc1 ZINC000186227536 323402747 /nfs/dbraw/zinc/40/27/47/323402747.db2.gz WQPRQKGAUQUITH-SFHVURJKSA-N 1 0 300.450 3.496 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000187615448 323416475 /nfs/dbraw/zinc/41/64/75/323416475.db2.gz CXDHIECCVCYEGH-CVEARBPZSA-N 1 0 310.507 3.393 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000187615481 323416757 /nfs/dbraw/zinc/41/67/57/323416757.db2.gz CXDHIECCVCYEGH-HOTGVXAUSA-N 1 0 310.507 3.393 10 0 DGAERO COC[C@@H](C)C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000188031727 323420939 /nfs/dbraw/zinc/42/09/39/323420939.db2.gz LVJZWPQHRIJTJT-LBPRGKRZSA-N 1 0 312.251 3.353 10 0 DGAERO COC[C@@H](C)C[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000188219252 323423919 /nfs/dbraw/zinc/42/39/19/323423919.db2.gz XCXIYMFBIFMQOF-NSHDSACASA-N 1 0 306.233 3.382 10 0 DGAERO Cc1cccc(CC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)c1 ZINC000192529072 323454096 /nfs/dbraw/zinc/45/40/96/323454096.db2.gz LKCBWIIGGLKQCX-UHFFFAOYSA-N 1 0 312.438 3.241 10 0 DGAERO O=C(C[NH2+][C@@H]1CCc2ccccc21)N1CCCc2ccccc21 ZINC000193252378 323463259 /nfs/dbraw/zinc/46/32/59/323463259.db2.gz BZVJKPFGPXKNGP-GOSISDBHSA-N 1 0 306.409 3.243 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000194941571 323483387 /nfs/dbraw/zinc/48/33/87/323483387.db2.gz KTCNSASNRRTIIS-DOTOQJQBSA-N 1 0 309.498 3.329 10 0 DGAERO CO[C@H]([C@H](C)[NH2+]Cc1ccc(Br)c(F)c1)C1CC1 ZINC000388233833 323650085 /nfs/dbraw/zinc/65/00/85/323650085.db2.gz NOUHAQQICNRABV-LKFCYVNXSA-N 1 0 316.214 3.491 10 0 DGAERO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000388333305 323651709 /nfs/dbraw/zinc/65/17/09/323651709.db2.gz SQLSHBOYHDODOS-YMTOWFKASA-N 1 0 301.217 3.050 10 0 DGAERO FC(F)Oc1cc(C[NH2+]C2CCC3(CCCO3)CC2)ccn1 ZINC000580225017 323974362 /nfs/dbraw/zinc/97/43/62/323974362.db2.gz RCWDUJPBARCXRR-UHFFFAOYSA-N 1 0 312.360 3.264 10 0 DGAERO C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(Br)cn1 ZINC000580264434 323976888 /nfs/dbraw/zinc/97/68/88/323976888.db2.gz SUNQSSRQQNWTGY-LLVKDONJSA-N 1 0 321.218 3.443 10 0 DGAERO c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000581835567 324158742 /nfs/dbraw/zinc/15/87/42/324158742.db2.gz DQEJFQPZAPKRHC-YWVIFJGQSA-N 1 0 314.410 3.427 10 0 DGAERO Cc1cc(CC[NH2+]Cc2cn(C)nc2C2CCCCC2)on1 ZINC000582436498 324229960 /nfs/dbraw/zinc/22/99/60/324229960.db2.gz UTHUJGDGOVHRCY-UHFFFAOYSA-N 1 0 302.422 3.097 10 0 DGAERO C[C@@]1(C(=O)NCc2cccc(Cl)c2Cl)CCCC[NH2+]1 ZINC000583084962 324311651 /nfs/dbraw/zinc/31/16/51/324311651.db2.gz JUOUUGYNXTVWJG-AWEZNQCLSA-N 1 0 301.217 3.142 10 0 DGAERO Cc1[nH+]c2c(Cl)cccc2c(N2CCC[C@@H](C(N)=O)C2)c1C ZINC000583354337 324342744 /nfs/dbraw/zinc/34/27/44/324342744.db2.gz KZEIRRORPVRCBP-GFCCVEGCSA-N 1 0 317.820 3.207 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CCOCC2CCC2)CCN1Cc1ccccc1 ZINC000583726899 324389361 /nfs/dbraw/zinc/38/93/61/324389361.db2.gz IKFYIZBSAJZKMP-FXAWDEMLSA-N 1 0 316.489 3.446 10 0 DGAERO O=C(N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)OCc1ccccc1 ZINC000584600990 337370785 /nfs/dbraw/zinc/37/07/85/337370785.db2.gz FRBAWMOAZMMZNK-QZTJIDSGSA-N 1 0 310.397 3.406 10 0 DGAERO C[NH2+]Cc1cc(OC)c(OC)cc1[C@H](O)c1ccc(Cl)cc1 ZINC000584595958 337374061 /nfs/dbraw/zinc/37/40/61/337374061.db2.gz CWMIARPWDHGIGN-QGZVFWFLSA-N 1 0 321.804 3.158 10 0 DGAERO CC(C)[N@@H+]1CC[C@@H]([C@@](C(N)=O)(c2ccccc2)C2CCCC2)C1 ZINC000584633799 337377598 /nfs/dbraw/zinc/37/75/98/337377598.db2.gz MTJMHBZMNZKIRT-UYAOXDASSA-N 1 0 314.473 3.330 10 0 DGAERO CC1(C)[NH2+]C(C)(C)c2cc(I)ccc21 ZINC000584638582 337379679 /nfs/dbraw/zinc/37/96/79/337379679.db2.gz GYMGVZXHSSODGR-UHFFFAOYSA-N 1 0 301.171 3.365 10 0 DGAERO C[NH+](C)CCCNCc1cccc(Br)c1Cl ZINC000163603200 1176026118 /nfs/dbraw/zinc/02/61/18/1176026118.db2.gz NWPIEQPNMAWTQK-UHFFFAOYSA-N 1 0 305.647 3.144 10 0 DGAERO Fc1c(Br)cccc1C[NH2+]CCc1cccnc1 ZINC000394907858 1176754886 /nfs/dbraw/zinc/75/48/86/1176754886.db2.gz LDNYJCMZTZRDRF-UHFFFAOYSA-N 1 0 309.182 3.316 10 0 DGAERO COc1cccc([C@@H]2[C@@H](Nc3cc(C)ncn3)CC[N@@H+]2C2CC2)c1 ZINC000302018745 533760694 /nfs/dbraw/zinc/76/06/94/533760694.db2.gz CWMRXGJZTYVFLB-PKOBYXMFSA-N 1 0 324.428 3.184 10 0 DGAERO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)C2CCCC2)C2CC2)o1 ZINC000184641528 533837422 /nfs/dbraw/zinc/83/74/22/533837422.db2.gz YTZHLLMPVCBQSA-CQSZACIVSA-N 1 0 304.434 3.247 10 0 DGAERO C[C@H](CC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)[S@@](C)=O ZINC000158122583 533941190 /nfs/dbraw/zinc/94/11/90/533941190.db2.gz APQCYJZNNAYJDS-YBYGRFCBSA-N 1 0 311.344 3.091 10 0 DGAERO C[C@H]1C[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443611073 533941971 /nfs/dbraw/zinc/94/19/71/533941971.db2.gz UBAHWGPOJVTZAA-SCRDCRAPSA-N 1 0 301.352 3.197 10 0 DGAERO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCCC1)c1ccccc1 ZINC000172171149 534018963 /nfs/dbraw/zinc/01/89/63/534018963.db2.gz SEWBHWWFSJLJLJ-JYJNAYRXSA-N 1 0 302.462 3.463 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2CCc3nc(C(F)(F)F)cn3C2)o1 ZINC000328628235 534068805 /nfs/dbraw/zinc/06/88/05/534068805.db2.gz HAOIKEYORBFLDL-LLVKDONJSA-N 1 0 313.323 3.156 10 0 DGAERO OCCOc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000436242146 534371638 /nfs/dbraw/zinc/37/16/38/534371638.db2.gz SULMTWIXOIQPSJ-RBUKOAKNSA-N 1 0 311.425 3.484 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000152321169 534394220 /nfs/dbraw/zinc/39/42/20/534394220.db2.gz QBUQXKPKHVIUKG-RISCZKNCSA-N 1 0 316.214 3.229 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000152344107 534396022 /nfs/dbraw/zinc/39/60/22/534396022.db2.gz YZJSSJDNDIMATH-BXUZGUMPSA-N 1 0 316.214 3.229 10 0 DGAERO O[C@H](CNC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000180209965 534429070 /nfs/dbraw/zinc/42/90/70/534429070.db2.gz BFCYYHFWWJSUQC-HXUWFJFHSA-N 1 0 324.468 3.212 10 0 DGAERO CC(C)c1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)n1 ZINC000070456267 519833545 /nfs/dbraw/zinc/83/35/45/519833545.db2.gz RAECMFZYFDVRQZ-CQSZACIVSA-N 1 0 311.433 3.074 10 0 DGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157926136 520217534 /nfs/dbraw/zinc/21/75/34/520217534.db2.gz YUCRNHSUGALLAI-ZFWWWQNUSA-N 1 0 322.497 3.292 10 0 DGAERO NC(=O)c1c[nH+]ccc1N[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000302210304 534511368 /nfs/dbraw/zinc/51/13/68/534511368.db2.gz GIJAMPUKGJNKAU-XPTSAGLGSA-N 1 0 322.195 3.455 10 0 DGAERO CCC[C@@H]([NH2+]C[C@H]1CCCN1CCOC)c1ccc(OC)cc1 ZINC000163292289 520776244 /nfs/dbraw/zinc/77/62/44/520776244.db2.gz IFDMFNKUTWIQNS-IEBWSBKVSA-N 1 0 320.477 3.237 10 0 DGAERO CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(n2cncn2)CC1 ZINC000154511508 522934302 /nfs/dbraw/zinc/93/43/02/522934302.db2.gz FXTHYMZCVJTACL-MRXNPFEDSA-N 1 0 306.360 3.345 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCSCC(C)C)[C@H]2C1 ZINC000158220827 523709940 /nfs/dbraw/zinc/70/99/40/523709940.db2.gz KJGPCRXCWVKYCX-PMPSAXMXSA-N 1 0 301.496 3.034 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc4cccnc43)[C@@H]2C1 ZINC000158171445 523711718 /nfs/dbraw/zinc/71/17/18/523711718.db2.gz DSLSPGNXMZCRPD-KURKYZTESA-N 1 0 312.413 3.003 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCOc3ccccc3C)[C@H]2C1 ZINC000158070690 523725372 /nfs/dbraw/zinc/72/53/72/523725372.db2.gz QGKPYGKASTVYEH-ZIFCJYIRSA-N 1 0 319.445 3.032 10 0 DGAERO CCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccccc2F)n1 ZINC000070455999 523822063 /nfs/dbraw/zinc/82/20/63/523822063.db2.gz YVLQIUDKFSAZTO-UHFFFAOYSA-N 1 0 314.408 3.257 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000163318280 523830195 /nfs/dbraw/zinc/83/01/95/523830195.db2.gz AKFBHLHABQHOOK-TZMCWYRMSA-N 1 0 314.832 3.241 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccnc(C2CC2)n1 ZINC000156843089 525007179 /nfs/dbraw/zinc/00/71/79/525007179.db2.gz GUYAKTZYMAOKHZ-MRXNPFEDSA-N 1 0 322.456 3.455 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(OC(C)(C)C)cc1 ZINC000157235948 525403235 /nfs/dbraw/zinc/40/32/35/525403235.db2.gz LAYHFFCZWBNBGD-HNAYVOBHSA-N 1 0 321.461 3.304 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@H+](C1CC(OC(C)C)C1)CC2 ZINC000459376291 534881558 /nfs/dbraw/zinc/88/15/58/534881558.db2.gz NTLAIYPFIYVGLJ-UHFFFAOYSA-N 1 0 301.430 3.246 10 0 DGAERO Brc1cccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054580 526645716 /nfs/dbraw/zinc/64/57/16/526645716.db2.gz QABOXMFKDUUDGE-GDBMZVCRSA-N 1 0 323.278 3.413 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000154875950 527141814 /nfs/dbraw/zinc/14/18/14/527141814.db2.gz OLMUMIHQVRIDOG-JKSUJKDBSA-N 1 0 324.509 3.399 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000415439048 527307380 /nfs/dbraw/zinc/30/73/80/527307380.db2.gz CDDITWBRGRIOMM-GFCCVEGCSA-N 1 0 311.813 3.038 10 0 DGAERO C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1nc(C2CCCC2)no1 ZINC000429716108 527491161 /nfs/dbraw/zinc/49/11/61/527491161.db2.gz JVEDEIQHXPWJLM-BMFZPTHFSA-N 1 0 317.433 3.165 10 0 DGAERO CC1(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000174995969 527949522 /nfs/dbraw/zinc/94/95/22/527949522.db2.gz MLYFYWRBGLULOW-QGZVFWFLSA-N 1 0 321.509 3.474 10 0 DGAERO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC23CCC3)c1 ZINC000435576558 528193980 /nfs/dbraw/zinc/19/39/80/528193980.db2.gz BNTPWMGSIXAMNN-UHFFFAOYSA-N 1 0 315.461 3.366 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175274017 528250007 /nfs/dbraw/zinc/25/00/07/528250007.db2.gz BJQZMYKYEGUSEE-HUUCEWRRSA-N 1 0 319.449 3.340 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc([C@H](C)OC)c2)C1 ZINC000175962333 528253636 /nfs/dbraw/zinc/25/36/36/528253636.db2.gz WOBCRPYJAWNJNA-WMLDXEAASA-N 1 0 319.449 3.342 10 0 DGAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000195236663 528625937 /nfs/dbraw/zinc/62/59/37/528625937.db2.gz FOGHIZPVVCHDHZ-QRVBRYPASA-N 1 0 305.462 3.165 10 0 DGAERO CCOc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175348130 528668750 /nfs/dbraw/zinc/66/87/50/528668750.db2.gz IXVVMGDXSRRLPO-HIFRSBDPSA-N 1 0 305.422 3.032 10 0 DGAERO CC(C)Cc1nsc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000302262196 528686559 /nfs/dbraw/zinc/68/65/59/528686559.db2.gz DDJNQSZWBABHLM-KGLIPLIRSA-N 1 0 308.495 3.188 10 0 DGAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175297180 528968452 /nfs/dbraw/zinc/96/84/52/528968452.db2.gz UJRRQMGUGUYVOZ-SOLBZPMBSA-N 1 0 317.477 3.383 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCCc1ccc(C)s1 ZINC000176075392 529064357 /nfs/dbraw/zinc/06/43/57/529064357.db2.gz NZFFRNRCRNNNFO-OAHLLOKOSA-N 1 0 308.491 3.322 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000176339930 529192068 /nfs/dbraw/zinc/19/20/68/529192068.db2.gz GTAQQDLYXGXJOX-AWEZNQCLSA-N 1 0 304.434 3.030 10 0 DGAERO CC[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443617385 529220447 /nfs/dbraw/zinc/22/04/47/529220447.db2.gz WLFPHNQTEOQJNJ-UONOGXRCSA-N 1 0 301.352 3.483 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(-c2ccccc2)ns1 ZINC000302329067 529306308 /nfs/dbraw/zinc/30/63/08/529306308.db2.gz YYOGWJOTCKMUCH-GJZGRUSLSA-N 1 0 314.458 3.268 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451913065 535065948 /nfs/dbraw/zinc/06/59/48/535065948.db2.gz PYEIQOPIEIVJRR-ZFWWWQNUSA-N 1 0 320.260 3.198 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000465745992 535448642 /nfs/dbraw/zinc/44/86/42/535448642.db2.gz FESNOASUMRAGEW-NVXWUHKLSA-N 1 0 309.498 3.234 10 0 DGAERO CCC[C@H](C)[N@H+](C)CC(=O)NCCc1cccc2cccnc21 ZINC000493658161 535630343 /nfs/dbraw/zinc/63/03/43/535630343.db2.gz NUYUQEJQKQOBLH-HNNXBMFYSA-N 1 0 313.445 3.014 10 0 DGAERO CO[C@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000449393304 536640038 /nfs/dbraw/zinc/64/00/38/536640038.db2.gz MDZVTZVDJACRGE-INIZCTEOSA-N 1 0 311.385 3.017 10 0 DGAERO COc1ccc(C)cc1C1(C[NH2+]C[C@@H]2C[C@@H]2C)CCOCC1 ZINC000488402733 536796437 /nfs/dbraw/zinc/79/64/37/536796437.db2.gz CEOGTCOAUPGRTC-HOTGVXAUSA-N 1 0 303.446 3.297 10 0 DGAERO COc1cccc2c1CC[N@H+](CCCC(=O)OC(C)(C)C)CC2 ZINC000489537189 536942661 /nfs/dbraw/zinc/94/26/61/536942661.db2.gz UFDYUHUBSTVBFJ-UHFFFAOYSA-N 1 0 319.445 3.218 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)c2ccsc2)cc2c1OCCO2 ZINC000061361709 545704103 /nfs/dbraw/zinc/70/41/03/545704103.db2.gz LZVFNUZKJIKUFG-NSHDSACASA-N 1 0 305.399 3.379 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000076372023 545736774 /nfs/dbraw/zinc/73/67/74/545736774.db2.gz BSGZSYQFJCPCTN-INIZCTEOSA-N 1 0 310.397 3.031 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1Cl ZINC000085357463 545795837 /nfs/dbraw/zinc/79/58/37/545795837.db2.gz MAVVXCUEWFDMHD-DYLAAIIWSA-N 1 0 301.217 3.298 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089448914 545815265 /nfs/dbraw/zinc/81/52/65/545815265.db2.gz DQVSHIPLWBNFJF-JQWIXIFHSA-N 1 0 311.223 3.071 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000089459929 545814610 /nfs/dbraw/zinc/81/46/10/545814610.db2.gz HJXQFLUDFKNOOW-WCBMZHEXSA-N 1 0 318.751 3.255 10 0 DGAERO CCCOc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000089454937 545814728 /nfs/dbraw/zinc/81/47/28/545814728.db2.gz KWASFUYTTUEYGI-AAEUAGOBSA-N 1 0 310.825 3.442 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000089462422 545815212 /nfs/dbraw/zinc/81/52/12/545815212.db2.gz WHFIAMJAMCTXQR-PWSUYJOCSA-N 1 0 311.223 3.071 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1scnc1C1CC1)c1ccccc1 ZINC000089605776 545816757 /nfs/dbraw/zinc/81/67/57/545816757.db2.gz YUSWUBWONZZSFG-CQSZACIVSA-N 1 0 315.442 3.053 10 0 DGAERO COC1(C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CCOCC1 ZINC000090651267 545830197 /nfs/dbraw/zinc/83/01/97/545830197.db2.gz PREWODRGPXBBLY-KRWDZBQOSA-N 1 0 319.445 3.302 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000093585649 545858177 /nfs/dbraw/zinc/85/81/77/545858177.db2.gz WLSBIPLZFZPVCB-IPKGOGJASA-N 1 0 301.430 3.335 10 0 DGAERO CC(C)CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000119070134 545875472 /nfs/dbraw/zinc/87/54/72/545875472.db2.gz SOEMLNBSFNMILR-UHFFFAOYSA-N 1 0 309.498 3.327 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)NC(=O)NCC[NH+](C)C)cc1 ZINC000133572082 545968693 /nfs/dbraw/zinc/96/86/93/545968693.db2.gz NFQRZCUBPQHOHT-HNNXBMFYSA-N 1 0 321.465 3.033 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000133621702 545968948 /nfs/dbraw/zinc/96/89/48/545968948.db2.gz WYDAMWJBERTAMM-SJLPKXTDSA-N 1 0 316.489 3.447 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000136350004 545981435 /nfs/dbraw/zinc/98/14/35/545981435.db2.gz QDUQRGWCNWAXRK-QWHCGFSZSA-N 1 0 312.866 3.367 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCc2occc21 ZINC000151686744 545995550 /nfs/dbraw/zinc/99/55/50/545995550.db2.gz FZDKZDZUCUDEJK-GDBMZVCRSA-N 1 0 319.449 3.077 10 0 DGAERO C[NH+](C)C1CCN(CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000156098148 546031701 /nfs/dbraw/zinc/03/17/01/546031701.db2.gz CNUXLZJIOZRXPZ-UHFFFAOYSA-N 1 0 316.367 3.154 10 0 DGAERO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000165904570 546092509 /nfs/dbraw/zinc/09/25/09/546092509.db2.gz STWAYSRCCSKWQZ-JTQLQIEISA-N 1 0 323.234 3.246 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1CCc3ccc(F)cc31)CC2 ZINC000175005132 546110515 /nfs/dbraw/zinc/11/05/15/546110515.db2.gz NOYBSGZTGGAXQH-HOCLYGCPSA-N 1 0 314.408 3.133 10 0 DGAERO FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177100478 546119872 /nfs/dbraw/zinc/11/98/72/546119872.db2.gz CMQCNYADWDRUEB-CQSZACIVSA-N 1 0 307.344 3.149 10 0 DGAERO NC(=O)[C@H]1CCC[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000180238857 546143792 /nfs/dbraw/zinc/14/37/92/546143792.db2.gz IKJBUZPJKGKDNX-OALUTQOASA-N 1 0 322.452 3.452 10 0 DGAERO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000180327481 546144717 /nfs/dbraw/zinc/14/47/17/546144717.db2.gz VXOTZFDSIQMGJC-CRAIPNDOSA-N 1 0 312.461 3.423 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccc(F)c(Cl)c1 ZINC000180721615 546147813 /nfs/dbraw/zinc/14/78/13/546147813.db2.gz IUEYPGVZURRPDZ-MRVPVSSYSA-N 1 0 313.785 3.225 10 0 DGAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000180731246 546149170 /nfs/dbraw/zinc/14/91/70/546149170.db2.gz GYVHMPVVKCJHIR-GHMZBOCLSA-N 1 0 300.805 3.290 10 0 DGAERO Cc1cccn2cc(C[NH2+]Cc3cccc4cnccc43)nc12 ZINC000181531661 546157617 /nfs/dbraw/zinc/15/76/17/546157617.db2.gz NMJYZXKCUBUEIU-UHFFFAOYSA-N 1 0 302.381 3.481 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(Cl)cn2)o1 ZINC000182684679 546166980 /nfs/dbraw/zinc/16/69/80/546166980.db2.gz KRGOCGXXLTWVJZ-UHFFFAOYSA-N 1 0 302.765 3.316 10 0 DGAERO C[NH+](C)C1CCN(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC1 ZINC000184659295 546183720 /nfs/dbraw/zinc/18/37/20/546183720.db2.gz HTOHGZUOMYGVKK-GFCCVEGCSA-N 1 0 323.403 3.089 10 0 DGAERO C[C@H](NCc1noc2c1CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666788 546189249 /nfs/dbraw/zinc/18/92/49/546189249.db2.gz OZVKBKKLGWLDAJ-LSDHHAIUSA-N 1 0 317.477 3.296 10 0 DGAERO C[C@@H]([NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccs1 ZINC000185872040 546190148 /nfs/dbraw/zinc/19/01/48/546190148.db2.gz KXVBNTYMGVBIMH-ZWNOBZJWSA-N 1 0 308.834 3.149 10 0 DGAERO CCC1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000185898396 546191454 /nfs/dbraw/zinc/19/14/54/546191454.db2.gz ARLKVVGMFKEVBH-MOQPWLNLSA-N 1 0 308.853 3.295 10 0 DGAERO Cc1ccc2cc(C[N@@H+]3CCC[C@@H]3Cn3ccnc3)ccc2n1 ZINC000188417881 546204720 /nfs/dbraw/zinc/20/47/20/546204720.db2.gz IRFGQMFOXMKAFK-GOSISDBHSA-N 1 0 306.413 3.404 10 0 DGAERO COc1cccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c1F ZINC000192713026 546236956 /nfs/dbraw/zinc/23/69/56/546236956.db2.gz WFICHLWKDPSOMJ-UHFFFAOYSA-N 1 0 303.377 3.489 10 0 DGAERO COc1cccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1F ZINC000192947449 546238859 /nfs/dbraw/zinc/23/88/59/546238859.db2.gz FDBKUAVSYWRNSV-MRXNPFEDSA-N 1 0 306.425 3.285 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(C)c1C)c1ccccc1 ZINC000195033264 546251189 /nfs/dbraw/zinc/25/11/89/546251189.db2.gz KFYDERKGXWQMQF-SFHVURJKSA-N 1 0 313.445 3.146 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(C)c1C)c1ccsc1 ZINC000195107017 546252051 /nfs/dbraw/zinc/25/20/51/546252051.db2.gz KYNWYQZQZWTBEW-INIZCTEOSA-N 1 0 319.474 3.208 10 0 DGAERO Cc1c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccn1C ZINC000195262493 546253933 /nfs/dbraw/zinc/25/39/33/546253933.db2.gz NOLICQYUWHAWDM-DOTOQJQBSA-N 1 0 317.477 3.060 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000223042332 546266523 /nfs/dbraw/zinc/26/65/23/546266523.db2.gz FXXQDGIVHIZHBA-FIXISWKDSA-N 1 0 310.235 3.330 10 0 DGAERO Cc1ccc(C[NH2+]CC2CCC(O)CC2)c(Br)c1 ZINC000227620004 546268630 /nfs/dbraw/zinc/26/86/30/546268630.db2.gz PXHNXWLHGLEGGS-UHFFFAOYSA-N 1 0 312.251 3.398 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000227421012 546268938 /nfs/dbraw/zinc/26/89/38/546268938.db2.gz INMLRRJEXDLHIR-WDEREUQCSA-N 1 0 311.223 3.071 10 0 DGAERO COCc1cccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000230653462 546274938 /nfs/dbraw/zinc/27/49/38/546274938.db2.gz MYKRGXHXBTVENS-UHFFFAOYSA-N 1 0 322.449 3.226 10 0 DGAERO Clc1cc(Br)cnc1NC[C@@H]1CCCC[NH2+]1 ZINC000236052059 546279303 /nfs/dbraw/zinc/27/93/03/546279303.db2.gz LUMSQHQIOBBFTR-VIFPVBQESA-N 1 0 304.619 3.052 10 0 DGAERO Cc1csc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1Cl ZINC000236025865 546279370 /nfs/dbraw/zinc/27/93/70/546279370.db2.gz GAEKSHUBNGLQGU-VXGBXAGGSA-N 1 0 312.866 3.314 10 0 DGAERO Cc1nc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)sc1C ZINC000248857146 546321759 /nfs/dbraw/zinc/32/17/59/546321759.db2.gz OTWNVDJKNWOYQN-GHMZBOCLSA-N 1 0 310.467 3.002 10 0 DGAERO Clc1ccc(N2CC[C@H]([NH2+][C@H]3CCCOC3)C2)c(Cl)c1 ZINC000249091870 546324528 /nfs/dbraw/zinc/32/45/28/546324528.db2.gz OBNZIOBHOHXRKD-STQMWFEESA-N 1 0 315.244 3.341 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000250039536 546328258 /nfs/dbraw/zinc/32/82/58/546328258.db2.gz WVBJIDLCJMKSOZ-SUHUHFCYSA-N 1 0 324.877 3.368 10 0 DGAERO COc1ccc(Cl)cc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413825 546330624 /nfs/dbraw/zinc/33/06/24/546330624.db2.gz FYSGEGGJUPKGDQ-XJKSGUPXSA-N 1 0 308.853 3.313 10 0 DGAERO c1ccc2sc(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000252458218 546331642 /nfs/dbraw/zinc/33/16/42/546331642.db2.gz RXKXEWIJZBKTGO-ZIAGYGMSSA-N 1 0 301.459 3.260 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000252698467 546331859 /nfs/dbraw/zinc/33/18/59/546331859.db2.gz NFDXJMQFDOAOQQ-YPMHNXCESA-N 1 0 317.260 3.365 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1OC ZINC000255302513 546334840 /nfs/dbraw/zinc/33/48/40/546334840.db2.gz YRDAYZZGFDVIHR-NLZINVLXSA-N 1 0 316.445 3.041 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cc2ccccc2s1 ZINC000261775303 546338397 /nfs/dbraw/zinc/33/83/97/546338397.db2.gz OTFKECUYWMJUQZ-IACUBPJLSA-N 1 0 302.443 3.454 10 0 DGAERO Cc1ccc(CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C2CC2)cc1C ZINC000261843393 546339419 /nfs/dbraw/zinc/33/94/19/546339419.db2.gz VCDCDJVMNRDIFM-SJLPKXTDSA-N 1 0 300.446 3.169 10 0 DGAERO C[C@H]1C[C@H](NCc2cscc2Br)CC[N@@H+]1C ZINC000304578258 546440622 /nfs/dbraw/zinc/44/06/22/546440622.db2.gz NRANEIGPAHVBPG-GXSJLCMTSA-N 1 0 303.269 3.083 10 0 DGAERO OCCCSCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312596911 546453327 /nfs/dbraw/zinc/45/33/27/546453327.db2.gz GZXNXAILLYACSI-UHFFFAOYSA-N 1 0 300.276 3.260 10 0 DGAERO C[C@@H]1CCCC[C@H]1OCc1noc(CC2CC[NH+](C)CC2)n1 ZINC000329762272 546491967 /nfs/dbraw/zinc/49/19/67/546491967.db2.gz SLZQKOXDSYDQRP-UKRRQHHQSA-N 1 0 307.438 3.049 10 0 DGAERO C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCCC3)[C@H](C[NH3+])C1 ZINC000333387737 546506218 /nfs/dbraw/zinc/50/62/18/546506218.db2.gz WYPMYLQOGBMBPK-DYVFJYSZSA-N 1 0 301.434 3.157 10 0 DGAERO CC(C)[C@H]1C[C@@H](NC(=O)N2CCC(C[NH3+])CC2)c2ccccc21 ZINC000333845088 546512391 /nfs/dbraw/zinc/51/23/91/546512391.db2.gz VZERDDDOJCRYBN-QZTJIDSGSA-N 1 0 315.461 3.251 10 0 DGAERO CC(C)c1ccoc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350390582 546617394 /nfs/dbraw/zinc/61/73/94/546617394.db2.gz MSSLDHVPSRNNEZ-GUYCJALGSA-N 1 0 317.389 3.379 10 0 DGAERO CCCN1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000389291217 546751820 /nfs/dbraw/zinc/75/18/20/546751820.db2.gz XPQIGNMHFKOJHN-GFCCVEGCSA-N 1 0 315.230 3.162 10 0 DGAERO CC[C@@H](Cc1ccccc1Br)[NH2+]C1CSC1 ZINC000390591356 546754238 /nfs/dbraw/zinc/75/42/38/546754238.db2.gz ZLDWWPTZWBOITE-NSHDSACASA-N 1 0 300.265 3.475 10 0 DGAERO CC1(C)C[C@H]([NH2+]Cc2c(F)ccc(Br)c2F)CO1 ZINC000396530999 546762685 /nfs/dbraw/zinc/76/26/85/546762685.db2.gz KOXIZTXJGFDSKB-QMMMGPOBSA-N 1 0 320.177 3.384 10 0 DGAERO O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000408107770 546768817 /nfs/dbraw/zinc/76/88/17/546768817.db2.gz YTIWARIRBBFRGY-QGZVFWFLSA-N 1 0 324.428 3.384 10 0 DGAERO COC[C@](C)(O)C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000531966589 546979128 /nfs/dbraw/zinc/97/91/28/546979128.db2.gz ZRBMITSSSAJOKV-RBUKOAKNSA-N 1 0 305.462 3.165 10 0 DGAERO c1ccc2sc([C@@H]3CCC[N@@H+](Cc4cncnc4)C3)nc2c1 ZINC000534333114 546984610 /nfs/dbraw/zinc/98/46/10/546984610.db2.gz MWKBZKCYAWQFGY-CQSZACIVSA-N 1 0 310.426 3.466 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000588619516 547027027 /nfs/dbraw/zinc/02/70/27/547027027.db2.gz XIRXCNCABGDLED-AGWAZZAUSA-N 1 0 321.424 3.270 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cc(F)ccc1F ZINC000675055735 548148872 /nfs/dbraw/zinc/14/88/72/548148872.db2.gz XDJXATFFYGNJLC-FZMZJTMJSA-N 1 0 312.360 3.364 10 0 DGAERO C[C@@H]1CCN(c2ccc(Br)c(Cl)c2)CC[NH2+]1 ZINC000675059253 548149062 /nfs/dbraw/zinc/14/90/62/548149062.db2.gz MKEOZBJTZHSIET-SECBINFHSA-N 1 0 303.631 3.291 10 0 DGAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1[nH]nc2ccccc21 ZINC000678941251 548797571 /nfs/dbraw/zinc/79/75/71/548797571.db2.gz MOKXYPRSRJKEBF-HNNXBMFYSA-N 1 0 308.429 3.173 10 0 DGAERO COc1ccc([C@]23CC[N@H+](C)[C@H]2c2cccnc2CC3)cc1OC ZINC000000901003 560179779 /nfs/dbraw/zinc/17/97/79/560179779.db2.gz VDUITLSRHOBYKB-PMACEKPBSA-N 1 0 324.424 3.360 10 0 in-vitro DGAERO CC(C)(C)OC(=O)N1CC[C@H]([C@@]2(C)[NH2+]CCc3ccsc32)C1 ZINC000712515575 563320035 /nfs/dbraw/zinc/32/00/35/563320035.db2.gz NOHISLPIJGMNJN-SUMWQHHRSA-N 1 0 322.474 3.366 10 0 DGAERO C[C@@H]1CCN(Cc2csc(Br)c2)[C@H](C[NH3+])C1 ZINC000261533958 574527565 /nfs/dbraw/zinc/52/75/65/574527565.db2.gz MBIOHFLWSCBAIL-KOLCDFICSA-N 1 0 303.269 3.070 10 0 DGAERO CCCCCCOCC(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000730741675 574535087 /nfs/dbraw/zinc/53/50/87/574535087.db2.gz RIRJDZMXTZIXBL-SFHVURJKSA-N 1 0 318.461 3.099 10 0 DGAERO C/C(=C\C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000730785854 574535902 /nfs/dbraw/zinc/53/59/02/574535902.db2.gz KPYAXVUKTNZGLL-UZKYQCOPSA-N 1 0 300.446 3.469 10 0 DGAERO Cc1ccc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c(F)c1 ZINC000675054164 563861909 /nfs/dbraw/zinc/86/19/09/563861909.db2.gz MFRUMPVIIXJDMT-SWLSCSKDSA-N 1 0 308.397 3.452 10 0 DGAERO CCC[NH+]1CCC(NC(=O)/C=C(\C)c2cccc(F)c2)CC1 ZINC000732052764 574565662 /nfs/dbraw/zinc/56/56/62/574565662.db2.gz QNQRBBSQMURCNB-WYMLVPIESA-N 1 0 304.409 3.220 10 0 DGAERO C/C(=C\C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1cccc(F)c1 ZINC000732306491 574571348 /nfs/dbraw/zinc/57/13/48/574571348.db2.gz XTPSZZQPUKTUIE-IDKBZEPQSA-N 1 0 306.425 3.322 10 0 DGAERO CC(C)c1ccc2cc(C(=O)NCCCC[NH+](C)C)[nH]c2c1 ZINC000733162471 574600004 /nfs/dbraw/zinc/60/00/04/574600004.db2.gz YRESSOMCYZEAMB-UHFFFAOYSA-N 1 0 301.434 3.363 10 0 DGAERO C/C(=C\C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000734447923 574661354 /nfs/dbraw/zinc/66/13/54/574661354.db2.gz ZPHPYNANWQAIEE-IPJDOKCGSA-N 1 0 304.409 3.029 10 0 DGAERO C/C(=C/C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000734447924 574661699 /nfs/dbraw/zinc/66/16/99/574661699.db2.gz ZPHPYNANWQAIEE-LTBFUDJGSA-N 1 0 304.409 3.029 10 0 DGAERO CC[S@](=O)CC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000735084460 574688216 /nfs/dbraw/zinc/68/82/16/574688216.db2.gz JDESZZKZCGFWTK-NRFANRHFSA-N 1 0 309.406 3.252 10 0 DGAERO CC[S@@](=O)CC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000735084774 574688319 /nfs/dbraw/zinc/68/83/19/574688319.db2.gz SZANSZSWFKNEQY-HXUWFJFHSA-N 1 0 311.834 3.458 10 0 DGAERO C[N@H+](CCNC(=O)NC(C1CCCC1)C1CCCC1)C1CC1 ZINC000735581141 574706673 /nfs/dbraw/zinc/70/66/73/574706673.db2.gz MVQOVAGLYINPMK-UHFFFAOYSA-N 1 0 307.482 3.129 10 0 DGAERO C[N@@H+]1CCCN(C(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC000735583953 574707297 /nfs/dbraw/zinc/70/72/97/574707297.db2.gz MDQQEDKHOMVPMV-UHFFFAOYSA-N 1 0 307.482 3.083 10 0 DGAERO S=C(NCc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737459423 574845141 /nfs/dbraw/zinc/84/51/41/574845141.db2.gz WUCINKGPNDQABE-QGZVFWFLSA-N 1 0 317.502 3.011 10 0 DGAERO S=C(NCc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737459422 574845312 /nfs/dbraw/zinc/84/53/12/574845312.db2.gz WUCINKGPNDQABE-KRWDZBQOSA-N 1 0 317.502 3.011 10 0 DGAERO Cc1ncc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)s1 ZINC000742386727 574995283 /nfs/dbraw/zinc/99/52/83/574995283.db2.gz ADKLHYGWCXBJQZ-MRXNPFEDSA-N 1 0 312.442 3.259 10 0 DGAERO C[C@@H](Cn1cccn1)[NH2+]Cc1cc2ccccc2nc1Cl ZINC000729931259 575266828 /nfs/dbraw/zinc/26/68/28/575266828.db2.gz NWIVEDYGGHELOU-LBPRGKRZSA-N 1 0 300.793 3.263 10 0 DGAERO Cc1cn2c([nH+]1)NCC[C@@H]2[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000236045292 575839431 /nfs/dbraw/zinc/83/94/31/575839431.db2.gz AXGKVERTLDCJIB-ZIAGYGMSSA-N 1 0 320.437 3.195 10 0 DGAERO c1cc2c(ccnc2NC2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000725787012 575913753 /nfs/dbraw/zinc/91/37/53/575913753.db2.gz CESPYZNXGJZMFK-CQSZACIVSA-N 1 0 317.458 3.352 10 0 DGAERO c1ccc2nc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2c1 ZINC000725788495 575914049 /nfs/dbraw/zinc/91/40/49/575914049.db2.gz YRSFCWMUEBLELK-KRWDZBQOSA-N 1 0 311.429 3.290 10 0 DGAERO C[C@@]1(C[NH2+]Cc2nccs2)CCCN1Cc1ccccc1 ZINC000397879717 575958773 /nfs/dbraw/zinc/95/87/73/575958773.db2.gz MAMIHSXKEUCNNN-KRWDZBQOSA-N 1 0 301.459 3.287 10 0 DGAERO Cc1cc(C[NH2+][C@](C)(CO)C(C)C)ccc1Br ZINC000398493337 575963567 /nfs/dbraw/zinc/96/35/67/575963567.db2.gz DGTHDIHNXMJQDR-CQSZACIVSA-N 1 0 300.240 3.254 10 0 DGAERO C/C(=C/C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000728535387 576186608 /nfs/dbraw/zinc/18/66/08/576186608.db2.gz XUCSBKJWKNHSSU-NOCRFKNCSA-N 1 0 304.478 3.457 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@@H](C)COc2ccccc2)c1 ZINC000728783025 576201793 /nfs/dbraw/zinc/20/17/93/576201793.db2.gz XQUVFQSDPIKSKC-AWEZNQCLSA-N 1 0 301.386 3.261 10 0 DGAERO CC[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc2c(c1)CCO2 ZINC000154759279 620716382 /nfs/dbraw/zinc/71/63/82/620716382.db2.gz KFCLKVRTSSTZBL-KRWDZBQOSA-N 1 0 311.429 3.323 10 0 DGAERO CC(C)(C)OC(=O)N(CCC1CCC1)c1ccc(C[NH3+])nc1 ZINC000757133055 617643654 /nfs/dbraw/zinc/64/36/54/617643654.db2.gz FOVZZLZHNRVPTC-UHFFFAOYSA-N 1 0 305.422 3.472 10 0 DGAERO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cc(F)ccc2F)C1 ZINC000300684308 617674266 /nfs/dbraw/zinc/67/42/66/617674266.db2.gz ZKBKQWSPXNBKJW-JMSVASOKSA-N 1 0 301.402 3.262 10 0 DGAERO C[C@H](C[NH3+])c1noc(-c2ccc(Br)c(Cl)c2)n1 ZINC000149013336 620022412 /nfs/dbraw/zinc/02/24/12/620022412.db2.gz IYTULILYTBVXNQ-ZCFIWIBFSA-N 1 0 316.586 3.215 10 0 DGAERO c1ncc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)s1 ZINC000135980096 620583858 /nfs/dbraw/zinc/58/38/58/620583858.db2.gz WCZRQZGPRPWZJX-INIZCTEOSA-N 1 0 301.459 3.287 10 0 DGAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccnc2ccccc12 ZINC000153909756 620621860 /nfs/dbraw/zinc/62/18/60/620621860.db2.gz WEGGDXTWUKKGGS-CSHXORCISA-N 1 0 323.440 3.047 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000113230910 620887966 /nfs/dbraw/zinc/88/79/66/620887966.db2.gz KHMUNZVIKJICFU-OKZVOGLASA-N 1 0 304.821 3.048 10 0 DGAERO CSC[C@H](C)C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989921 621071309 /nfs/dbraw/zinc/07/13/09/621071309.db2.gz XLQJZOQDTXONRC-DOTOQJQBSA-N 1 0 321.486 3.441 10 0 DGAERO CS[C@@H](C)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000103336549 621342140 /nfs/dbraw/zinc/34/21/40/621342140.db2.gz XTLAHEYXYOHKMJ-AWEZNQCLSA-N 1 0 307.459 3.193 10 0 DGAERO CC1CC[NH+](CCNC(=O)/C=C/c2ccnc3ccccc23)CC1 ZINC000117756276 621445341 /nfs/dbraw/zinc/44/53/41/621445341.db2.gz HOXMZANDPVIYHQ-VOTSOKGWSA-N 1 0 323.440 3.096 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)/C=C/c1ccnc(Cl)c1 ZINC000120784753 622011455 /nfs/dbraw/zinc/01/14/55/622011455.db2.gz YBHNZHAEFWJHRG-BQYQJAHWSA-N 1 0 323.868 3.329 10 0 DGAERO C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1Cl ZINC000123566183 622596261 /nfs/dbraw/zinc/59/62/61/622596261.db2.gz RNAVNTTUJRGXCZ-OQPBUACISA-N 1 0 301.217 3.298 10 0 DGAERO C[N@H+](CCCOC(=O)CC[C@H]1CCCCO1)Cc1ccccc1 ZINC000129505478 625663778 /nfs/dbraw/zinc/66/37/78/625663778.db2.gz LDCXZJKJQZVYND-GOSISDBHSA-N 1 0 319.445 3.401 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc2ccccc21 ZINC000126782635 624086356 /nfs/dbraw/zinc/08/63/56/624086356.db2.gz QARDVXAQZVFIGZ-UKRRQHHQSA-N 1 0 303.427 3.068 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1Cl ZINC000126809931 624112614 /nfs/dbraw/zinc/11/26/14/624112614.db2.gz CALYSLHQHAHVEW-MWLCHTKSSA-N 1 0 322.257 3.221 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCCCCCC2)[C@H](C)C1 ZINC000127785417 624562813 /nfs/dbraw/zinc/56/28/13/624562813.db2.gz RSEHUWKEEXAQBQ-NVXWUHKLSA-N 1 0 309.498 3.471 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccccc1OC ZINC000130506646 625863962 /nfs/dbraw/zinc/86/39/62/625863962.db2.gz DNDGPLFKXKPRPC-CJNGLKHVSA-N 1 0 301.386 3.088 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000130537452 625868778 /nfs/dbraw/zinc/86/87/78/625868778.db2.gz RXIOSWCIAGVUCZ-IAGOWNOFSA-N 1 0 301.361 3.145 10 0 DGAERO S=C1OCCN1C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000130811837 625907534 /nfs/dbraw/zinc/90/75/34/625907534.db2.gz QRJMJTKKIPAOFT-MRXNPFEDSA-N 1 0 304.459 3.048 10 0 DGAERO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)nc2ccccc12 ZINC000130950668 625921693 /nfs/dbraw/zinc/92/16/93/625921693.db2.gz DJAWWKNXWCMGQU-KGLIPLIRSA-N 1 0 317.820 3.022 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCCSC(C)(C)C ZINC000133093685 626765898 /nfs/dbraw/zinc/76/58/98/626765898.db2.gz QXEKMQCCIBJREG-CQSZACIVSA-N 1 0 302.528 3.391 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)nc1 ZINC000134366326 626874828 /nfs/dbraw/zinc/87/48/28/626874828.db2.gz VSSPSYUIERFBOQ-GOEBONIOSA-N 1 0 319.449 3.173 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCCSC1)c1ccc(C(F)(F)F)cc1 ZINC000136371842 627062316 /nfs/dbraw/zinc/06/23/16/627062316.db2.gz MEZKCQXTMQMJBT-OLZOCXBDSA-N 1 0 305.365 3.224 10 0 DGAERO CCN(CCC[NH2+]CCc1ccccc1)C(=O)OC(C)(C)C ZINC000221106624 627214187 /nfs/dbraw/zinc/21/41/87/627214187.db2.gz IWJTVMAFLDORIE-UHFFFAOYSA-N 1 0 306.450 3.466 10 0 DGAERO CC(C)(C)OC(=O)N[C@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC000221259196 627217377 /nfs/dbraw/zinc/21/73/77/627217377.db2.gz KDFGGSHWKPVMJN-MRXNPFEDSA-N 1 0 304.434 3.122 10 0 DGAERO CC[N@H+](CCNC(=O)c1ccc2nc(Cl)ccc2c1)C1CC1 ZINC000101957552 629862325 /nfs/dbraw/zinc/86/23/25/629862325.db2.gz RXSBWRWPWIYYTA-UHFFFAOYSA-N 1 0 317.820 3.102 10 0 DGAERO COc1ccccc1CC[N@H+](C)C[C@H](O)c1cc(F)ccc1F ZINC000104708938 630509701 /nfs/dbraw/zinc/50/97/01/630509701.db2.gz HLEKHHLOTRCDSQ-KRWDZBQOSA-N 1 0 321.367 3.181 10 0 DGAERO COc1ccc(C)cc1C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000105433684 630710138 /nfs/dbraw/zinc/71/01/38/630710138.db2.gz YFCICGKRQHODJK-UHFFFAOYSA-N 1 0 308.422 3.008 10 0 DGAERO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000185202957 660206938 /nfs/dbraw/zinc/20/69/38/660206938.db2.gz JHXIGELSRQHZDF-LBPRGKRZSA-N 1 0 318.804 3.126 10 0 DGAERO S=C(NC1CCCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000131996652 660478383 /nfs/dbraw/zinc/47/83/83/660478383.db2.gz OJVGDNCGYMVKGW-UHFFFAOYSA-N 1 0 309.523 3.001 10 0 DGAERO C[C@@H]1CN(C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000245619409 662237218 /nfs/dbraw/zinc/23/72/18/662237218.db2.gz DSNSVMKGGFYMFR-GPCCPHFNSA-N 1 0 304.217 3.136 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1ccc2c(c1)OCO2 ZINC000132935739 660603611 /nfs/dbraw/zinc/60/36/11/660603611.db2.gz JYEIHWSJTDVWMT-BMIGLBTASA-N 1 0 321.323 3.078 10 0 DGAERO CC/C=C(/C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2c(C)noc2C)C1 ZINC000229610888 660608939 /nfs/dbraw/zinc/60/89/39/660608939.db2.gz VLWWAHXZRGNZKV-GIXCSOPHSA-N 1 0 320.437 3.091 10 0 DGAERO C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(F)F ZINC000700236714 660616262 /nfs/dbraw/zinc/61/62/62/660616262.db2.gz NWMWXZNUKRJJLQ-VXGBXAGGSA-N 1 0 306.397 3.267 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]CC(C)(C)COC)CCN1C(=O)OC(C)(C)C ZINC000700601299 660630530 /nfs/dbraw/zinc/63/05/30/660630530.db2.gz SJQXUYCACAAHFH-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]C[C@@]2(C)CCCS2)CCN1C(=O)OC(C)(C)C ZINC000700756211 660632987 /nfs/dbraw/zinc/63/29/87/660632987.db2.gz FPYPOOMABVPSGF-DVOMOZLQSA-N 1 0 314.495 3.260 10 0 DGAERO C[C@@H](OCc1ccccc1)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000700899246 660644425 /nfs/dbraw/zinc/64/44/25/660644425.db2.gz YCVFBNPVCCSTSX-OAHLLOKOSA-N 1 0 324.424 3.030 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000700990556 660647701 /nfs/dbraw/zinc/64/77/01/660647701.db2.gz STVPXXAUQPUING-WDEREUQCSA-N 1 0 320.177 3.384 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000701934612 660692322 /nfs/dbraw/zinc/69/23/22/660692322.db2.gz HXJCBGIJWXZPQC-NEPJUHHUSA-N 1 0 304.381 3.021 10 0 DGAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@H]1CC1(F)F ZINC000701936518 660692927 /nfs/dbraw/zinc/69/29/27/660692927.db2.gz SQFFYVVZKUXWTD-OLZOCXBDSA-N 1 0 320.424 3.418 10 0 DGAERO C[C@@H]([NH2+]CCc1ccoc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000703029778 660755309 /nfs/dbraw/zinc/75/53/09/660755309.db2.gz YUWGQTOINWXJMA-GDBMZVCRSA-N 1 0 322.449 3.447 10 0 DGAERO COc1cncc(C[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000703386008 660778734 /nfs/dbraw/zinc/77/87/34/660778734.db2.gz IIKOOBHIKKDGDB-UHFFFAOYSA-N 1 0 302.321 3.460 10 0 DGAERO CC1(O)CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000703535012 660782137 /nfs/dbraw/zinc/78/21/37/660782137.db2.gz DYNJMEWUARUXEI-UHFFFAOYSA-N 1 0 316.214 3.371 10 0 DGAERO CC1(C)CCCC[C@H]1[NH2+]CCS(=O)(=O)C1CCCCC1 ZINC000704181610 660804833 /nfs/dbraw/zinc/80/48/33/660804833.db2.gz RCBODSIADMHJTO-OAHLLOKOSA-N 1 0 301.496 3.292 10 0 DGAERO C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(F)F ZINC000704202440 660805503 /nfs/dbraw/zinc/80/55/03/660805503.db2.gz ZUDJKBSYSFDHRC-RHYQMDGZSA-N 1 0 304.381 3.018 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]C2CCSCC2)CCN1C(=O)OC(C)(C)C ZINC000704621572 660813951 /nfs/dbraw/zinc/81/39/51/660813951.db2.gz MQXXVGLFIJZZDE-UONOGXRCSA-N 1 0 314.495 3.260 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC[C@H]1CCSC1 ZINC000704796019 660818750 /nfs/dbraw/zinc/81/87/50/660818750.db2.gz HLELKDBEIGHYRO-LBPRGKRZSA-N 1 0 302.484 3.023 10 0 DGAERO CC(C)CCC[NH2+]C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000705594578 660837473 /nfs/dbraw/zinc/83/74/73/660837473.db2.gz GUBYIPQKTJZXTK-UHFFFAOYSA-N 1 0 314.470 3.086 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000706560467 660865804 /nfs/dbraw/zinc/86/58/04/660865804.db2.gz PPKXELIESAJDJW-MELADBBJSA-N 1 0 314.495 3.260 10 0 DGAERO C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000707921720 660915623 /nfs/dbraw/zinc/91/56/23/660915623.db2.gz TXRIFQATNKNYLY-SDADXPQNSA-N 1 0 308.466 3.410 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccncc2)CCCCC1 ZINC000707850276 660917466 /nfs/dbraw/zinc/91/74/66/660917466.db2.gz ASCGPSFWOXJYOD-UHFFFAOYSA-N 1 0 319.449 3.399 10 0 DGAERO CCC[C@H]1CCC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000708389277 660920845 /nfs/dbraw/zinc/92/08/45/660920845.db2.gz QETCEXADXFFJJF-NSHDSACASA-N 1 0 300.244 3.195 10 0 DGAERO CC1(C)C[NH2+]CC[C@H](NC(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000710466556 660932480 /nfs/dbraw/zinc/93/24/80/660932480.db2.gz ADSNKEAWBQRJBM-QZPNVGJNSA-N 1 0 312.866 3.309 10 0 DGAERO C[C@H](c1cccc(Cl)c1)N1CCc2sc(C[NH3+])nc2C1 ZINC000710240410 660932808 /nfs/dbraw/zinc/93/28/08/660932808.db2.gz QIDYCAOREIRYCA-SNVBAGLBSA-N 1 0 307.850 3.375 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1)N1CCc2sc(C[NH3+])nc2C1 ZINC000710240885 660932832 /nfs/dbraw/zinc/93/28/32/660932832.db2.gz RNLRPUCNXVGBKF-JTQLQIEISA-N 1 0 307.850 3.375 10 0 DGAERO CN(CCCCCC[NH3+])C(=O)c1cccc(Br)c1 ZINC000710751089 660934654 /nfs/dbraw/zinc/93/46/54/660934654.db2.gz RJQGCOGZERZQCY-UHFFFAOYSA-N 1 0 313.239 3.040 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000710936506 660938634 /nfs/dbraw/zinc/93/86/34/660938634.db2.gz IHPLEFQMLDVGFD-ZDUSSCGKSA-N 1 0 318.408 3.268 10 0 DGAERO C[NH+](C)Cc1ccc(NCC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000710959653 660938890 /nfs/dbraw/zinc/93/88/90/660938890.db2.gz CNUCVEZZRLHZBG-UHFFFAOYSA-N 1 0 319.449 3.027 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000711404445 660950030 /nfs/dbraw/zinc/95/00/30/660950030.db2.gz GXHQQZMBZPYZOG-RWMBFGLXSA-N 1 0 318.408 3.457 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000711436340 660951967 /nfs/dbraw/zinc/95/19/67/660951967.db2.gz AWBBSXATQYAYFY-MOENNCHZSA-N 1 0 304.381 3.067 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@H]2COc3ccccc32)C1 ZINC000711437049 660952435 /nfs/dbraw/zinc/95/24/35/660952435.db2.gz DSBNDOVFXCCMDG-PIMMBPRGSA-N 1 0 318.417 3.013 10 0 DGAERO Cc1cscc1C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711439422 660952441 /nfs/dbraw/zinc/95/24/41/660952441.db2.gz OZAYWCWNQKJBBI-UHFFFAOYSA-N 1 0 310.463 3.449 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@H]2CCCCS2)C1 ZINC000711441007 660953068 /nfs/dbraw/zinc/95/30/68/660953068.db2.gz FRKUFGFISQHWRY-JXQTWKCFSA-N 1 0 314.495 3.165 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@@H](C3CCC3)[C@H]3CCOC3)C2)cc1 ZINC000711830941 660963720 /nfs/dbraw/zinc/96/37/20/660963720.db2.gz FTGRYJGUZRIAOS-UFYCRDLUSA-N 1 0 314.473 3.056 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)C2)cc1 ZINC000711830933 660963744 /nfs/dbraw/zinc/96/37/44/660963744.db2.gz FTGRYJGUZRIAOS-AABGKKOBSA-N 1 0 314.473 3.056 10 0 DGAERO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000711844209 660964147 /nfs/dbraw/zinc/96/41/47/660964147.db2.gz XYOGZCYFVKZFTI-OAHLLOKOSA-N 1 0 301.496 3.148 10 0 DGAERO Brc1cncc(C[NH2+]C[C@H]2CCC3(CCC3)O2)c1 ZINC000711500953 660955498 /nfs/dbraw/zinc/95/54/98/660955498.db2.gz AXGVLFZBMIPRHF-CYBMUJFWSA-N 1 0 311.223 3.035 10 0 DGAERO Cn1cccc1C[NH2+][C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711621250 660959804 /nfs/dbraw/zinc/95/98/04/660959804.db2.gz ICLZWKFMHPYDKN-QAPCUYQASA-N 1 0 319.449 3.047 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cccnc3)CCC[C@@H]12 ZINC000711637614 660959874 /nfs/dbraw/zinc/95/98/74/660959874.db2.gz BARHSYPVNWXZMF-QAPCUYQASA-N 1 0 317.433 3.103 10 0 DGAERO COC1CC([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000234698532 655543464 /nfs/dbraw/zinc/54/34/64/655543464.db2.gz VGSMEDSCSAMZRV-UHFFFAOYSA-N 1 0 310.644 3.431 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000255002838 655557338 /nfs/dbraw/zinc/55/73/38/655557338.db2.gz XUWRUHFGQRTQJB-IDPHKLQDSA-N 1 0 304.409 3.218 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000036954892 655585237 /nfs/dbraw/zinc/58/52/37/655585237.db2.gz JTVYRNVCFMLRRM-NWDGAFQWSA-N 1 0 324.471 3.116 10 0 DGAERO FC(F)(F)[C@H]1CC[C@H](C[NH2+]Cc2csc(C3CC3)n2)O1 ZINC000721429309 655587373 /nfs/dbraw/zinc/58/73/73/655587373.db2.gz YBDLJVQXFXOCJO-GHMZBOCLSA-N 1 0 306.353 3.220 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1OC ZINC000049949028 655627300 /nfs/dbraw/zinc/62/73/00/655627300.db2.gz VKDVYESSHZRXMT-OCCSQVGLSA-N 1 0 314.223 3.115 10 0 DGAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000050373503 655656349 /nfs/dbraw/zinc/65/63/49/655656349.db2.gz CEEOEDHPPONNLV-OLZOCXBDSA-N 1 0 302.187 3.245 10 0 DGAERO COc1ccccc1C[N@H+](C)C[C@@H](O)c1cc(F)ccc1F ZINC000051114223 655700775 /nfs/dbraw/zinc/70/07/75/655700775.db2.gz NOIYABFVBWENHC-MRXNPFEDSA-N 1 0 307.340 3.139 10 0 DGAERO Cc1nc(C)c(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000723602328 655704798 /nfs/dbraw/zinc/70/47/98/655704798.db2.gz IXEZHPKBYPOYJH-LJQANCHMSA-N 1 0 313.445 3.293 10 0 DGAERO CSc1ccc([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)cc1 ZINC000723847298 655724224 /nfs/dbraw/zinc/72/42/24/655724224.db2.gz FIANJFCPMKHSOZ-GFCCVEGCSA-N 1 0 315.504 3.130 10 0 DGAERO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(F)c(Cl)c1 ZINC000723847811 655724529 /nfs/dbraw/zinc/72/45/29/655724529.db2.gz NGOLSEXZZSBIAU-JTQLQIEISA-N 1 0 321.845 3.201 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000255396688 655729778 /nfs/dbraw/zinc/72/97/78/655729778.db2.gz CCIRSFGJTSDEHN-ADVGAGMGSA-N 1 0 304.409 3.077 10 0 DGAERO C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000261973851 655735586 /nfs/dbraw/zinc/73/55/86/655735586.db2.gz QLJCRDOBLVEULK-MNOVXSKESA-N 1 0 315.339 3.215 10 0 DGAERO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724055843 655739406 /nfs/dbraw/zinc/73/94/06/655739406.db2.gz BLVNATNROJUSAH-BBBLOLIVSA-N 1 0 321.355 3.199 10 0 DGAERO C[C@H](CNC(=O)/C=C\C(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC000255416384 655741163 /nfs/dbraw/zinc/74/11/63/655741163.db2.gz RSTSRWFWOUWXQW-DMTLFAOVSA-N 1 0 306.475 3.213 10 0 DGAERO CS[C@@H]1CCCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724111168 655742451 /nfs/dbraw/zinc/74/24/51/655742451.db2.gz USWVFUZICZKTPD-ZJUUUORDSA-N 1 0 321.355 3.153 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)/C(C)=C/c2ccc(F)cc2)CC1 ZINC000176308264 655747411 /nfs/dbraw/zinc/74/74/11/655747411.db2.gz GIUBOTSJAVJMSH-FYWRMAATSA-N 1 0 318.436 3.467 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)s1 ZINC000724342757 655756110 /nfs/dbraw/zinc/75/61/10/655756110.db2.gz DFPDPBKVJZOEMD-UBJLHIIHSA-N 1 0 319.879 3.160 10 0 DGAERO CSCCCC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000235030160 655774197 /nfs/dbraw/zinc/77/41/97/655774197.db2.gz UCUMZOMKLRDGCO-CYBMUJFWSA-N 1 0 302.484 3.119 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 ZINC000121868238 655792300 /nfs/dbraw/zinc/79/23/00/655792300.db2.gz AJOSWDKQRUKJGT-IKGGRYGDSA-N 1 0 306.494 3.438 10 0 DGAERO CC1(C)CC(NC(=O)NC/C=C\c2ccccc2)CC(C)(C)[NH2+]1 ZINC000255544189 655793596 /nfs/dbraw/zinc/79/35/96/655793596.db2.gz WRJRGTDXWIIHCZ-FLIBITNWSA-N 1 0 315.461 3.308 10 0 DGAERO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000712574849 661189341 /nfs/dbraw/zinc/18/93/41/661189341.db2.gz XIPYYCGYTPETNQ-MWLCHTKSSA-N 1 0 303.269 3.255 10 0 DGAERO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000235165127 655813413 /nfs/dbraw/zinc/81/34/13/655813413.db2.gz ZKBKQWSPXNBKJW-LALPHHSUSA-N 1 0 301.402 3.262 10 0 DGAERO Clc1sccc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000712640892 661189604 /nfs/dbraw/zinc/18/96/04/661189604.db2.gz GUFFLBCWHLMCIV-LBPRGKRZSA-N 1 0 301.839 3.077 10 0 DGAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCc1ccc(Cl)s1 ZINC000713010016 661189757 /nfs/dbraw/zinc/18/97/57/661189757.db2.gz RLYIKWHEXOXJAJ-GFCCVEGCSA-N 1 0 302.871 3.070 10 0 DGAERO C[C@@H]1OC[C@@H]([NH2+]CCc2sccc2Br)[C@@H]1C ZINC000713015304 661189832 /nfs/dbraw/zinc/18/98/32/661189832.db2.gz ZKWLJXYRUWJPLE-WCABBAIRSA-N 1 0 304.253 3.066 10 0 DGAERO C[C@H]([NH2+]CCc1sccc1Br)c1cn(C)cn1 ZINC000713012102 661189858 /nfs/dbraw/zinc/18/98/58/661189858.db2.gz GUFKEUSIHWHFAC-VIFPVBQESA-N 1 0 314.252 3.137 10 0 DGAERO CC[C@H]1COC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713045252 661189909 /nfs/dbraw/zinc/18/99/09/661189909.db2.gz LZKRIGPALCVRGV-ONGXEEELSA-N 1 0 304.253 3.068 10 0 DGAERO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000724874323 655822530 /nfs/dbraw/zinc/82/25/30/655822530.db2.gz CDHWVNGGNQSVLQ-OPRDCNLKSA-N 1 0 309.353 3.221 10 0 DGAERO C=C/C=C/CC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000713491385 661190991 /nfs/dbraw/zinc/19/09/91/661190991.db2.gz PMGMFLBUDVKFHX-SNAWJCMRSA-N 1 0 312.207 3.385 10 0 DGAERO C=C/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000713499742 661191147 /nfs/dbraw/zinc/19/11/47/661191147.db2.gz UHJFCCBACSYFSL-SMAZGNSSSA-N 1 0 306.450 3.496 10 0 DGAERO C=C/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000713499740 661191150 /nfs/dbraw/zinc/19/11/50/661191150.db2.gz UHJFCCBACSYFSL-AYPXVLHGSA-N 1 0 306.450 3.496 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000724917599 655829272 /nfs/dbraw/zinc/82/92/72/655829272.db2.gz JDHGBZJPXNTVPA-YHECAPGISA-N 1 0 316.626 3.106 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000724975187 655841411 /nfs/dbraw/zinc/84/14/11/655841411.db2.gz MDUVQLHNCPMAIT-PKZXDQLHSA-N 1 0 322.246 3.198 10 0 DGAERO C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000721570968 655851341 /nfs/dbraw/zinc/85/13/41/655851341.db2.gz PERRJNVHTLQMRN-HZSPNIEDSA-N 1 0 314.470 3.083 10 0 DGAERO N[C@H](Cc1nc(Cc2ccc(Cl)cc2Cl)no1)C(F)F ZINC000725080634 655854363 /nfs/dbraw/zinc/85/43/63/655854363.db2.gz WERAKVMESPMCRI-SECBINFHSA-N 1 0 322.142 3.102 10 0 DGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cn(C)nc1Br ZINC000713860515 661195056 /nfs/dbraw/zinc/19/50/56/661195056.db2.gz QDEAXOPLKKGDJM-PWSUYJOCSA-N 1 0 300.244 3.193 10 0 DGAERO COCC1CC([NH2+]Cc2cc(Br)c(C)s2)C1 ZINC000713930586 661195187 /nfs/dbraw/zinc/19/51/87/661195187.db2.gz LFLVJEPXBRMPQP-UHFFFAOYSA-N 1 0 304.253 3.334 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000309690161 655876226 /nfs/dbraw/zinc/87/62/26/655876226.db2.gz CRXHQUZBJDGDHI-WDEREUQCSA-N 1 0 314.376 3.356 10 0 DGAERO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000714250587 661198357 /nfs/dbraw/zinc/19/83/57/661198357.db2.gz PJFIKDORXVSGSQ-FBIMIBRVSA-N 1 0 322.257 3.220 10 0 DGAERO CC1(C)CC([NH2+]CC[C@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC000714360114 661198906 /nfs/dbraw/zinc/19/89/06/661198906.db2.gz HBGAIINMRDJMTH-CQSZACIVSA-N 1 0 301.496 3.148 10 0 DGAERO CCOC(C[NH2+][C@H](C)c1cccc(Br)c1)OCC ZINC000091948668 655887698 /nfs/dbraw/zinc/88/76/98/655887698.db2.gz BUGXKNVGDNGPKP-LLVKDONJSA-N 1 0 316.239 3.499 10 0 DGAERO C[C@H](C[NH2+]Cc1ccc(F)cc1F)N(C)C(=O)OC(C)(C)C ZINC000310006285 655889618 /nfs/dbraw/zinc/88/96/18/655889618.db2.gz VPFUSTQLHVVICS-LLVKDONJSA-N 1 0 314.376 3.310 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c(C)s2)C1 ZINC000714443061 661200814 /nfs/dbraw/zinc/20/08/14/661200814.db2.gz LFLVJEPXBRMPQP-AOOOYVTPSA-N 1 0 304.253 3.334 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000714476041 661201252 /nfs/dbraw/zinc/20/12/52/661201252.db2.gz BROQJXKACRFADT-LYRGGWFBSA-N 1 0 324.262 3.321 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000714484611 661201460 /nfs/dbraw/zinc/20/14/60/661201460.db2.gz NYGOOEIZXKKYTA-DTORHVGOSA-N 1 0 320.177 3.242 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000714702818 661202144 /nfs/dbraw/zinc/20/21/44/661202144.db2.gz ZTASDEITRGTCRW-OTCDBFHCSA-N 1 0 302.187 3.103 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000714701951 661202562 /nfs/dbraw/zinc/20/25/62/661202562.db2.gz UGOWMYMLEQJEHD-OTCDBFHCSA-N 1 0 302.187 3.103 10 0 DGAERO CCC1([NH3+])CCN(c2ncc(Br)cc2Cl)CC1 ZINC000714751896 661202710 /nfs/dbraw/zinc/20/27/10/661202710.db2.gz JNAOINDOGWXKTD-UHFFFAOYSA-N 1 0 318.646 3.205 10 0 DGAERO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccn1C ZINC000177359079 655922570 /nfs/dbraw/zinc/92/25/70/655922570.db2.gz BGWMOLDVHQBFHA-QGZVFWFLSA-N 1 0 309.454 3.054 10 0 DGAERO CCC1([NH3+])CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000714753908 661203482 /nfs/dbraw/zinc/20/34/82/661203482.db2.gz JYAJQPOSGRTAQI-UHFFFAOYSA-N 1 0 315.230 3.292 10 0 DGAERO CCC1([NH3+])CCN(Cc2ccc(Br)cc2F)CC1 ZINC000714753825 661203496 /nfs/dbraw/zinc/20/34/96/661203496.db2.gz ICEHSXCIMWUSTK-UHFFFAOYSA-N 1 0 315.230 3.292 10 0 DGAERO COc1csc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000177625171 655935773 /nfs/dbraw/zinc/93/57/73/655935773.db2.gz LPLWPKLRSZGGSN-AWEZNQCLSA-N 1 0 317.410 3.188 10 0 DGAERO Cc1ccc(C)c(Oc2ccc(CNC(=[NH2+])NC3CC3)cn2)c1 ZINC000066243204 655938900 /nfs/dbraw/zinc/93/89/00/655938900.db2.gz MRYIMKWQTYHCEW-UHFFFAOYSA-N 1 0 310.401 3.057 10 0 DGAERO C[N@H+]1CC=C(C2CCN(C(=O)/C=C\c3ccccc3)CC2)CC1 ZINC000096742788 655944556 /nfs/dbraw/zinc/94/45/56/655944556.db2.gz KLVKYCVUDUGRJC-FPLPWBNLSA-N 1 0 310.441 3.200 10 0 DGAERO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc4c(c3)CCO4)cn21 ZINC000178058704 655953635 /nfs/dbraw/zinc/95/36/35/655953635.db2.gz DIHFNHPSLQKWRC-CQSZACIVSA-N 1 0 307.397 3.428 10 0 DGAERO CC(C)OCCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000066542947 655954219 /nfs/dbraw/zinc/95/42/19/655954219.db2.gz AVVZXILOYYSSKF-UHFFFAOYSA-N 1 0 319.445 3.257 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000715170331 661209119 /nfs/dbraw/zinc/20/91/19/661209119.db2.gz PNEYWUUWRNCURH-YGOYTEALSA-N 1 0 301.217 3.108 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)ccc1OC ZINC000181284328 655977615 /nfs/dbraw/zinc/97/76/15/655977615.db2.gz YAYLDILKCYSZML-VKJFTORMSA-N 1 0 320.477 3.221 10 0 DGAERO C[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CS1 ZINC000715131298 661209803 /nfs/dbraw/zinc/20/98/03/661209803.db2.gz CWHFXFHGVAEJLY-FQUUOJAGSA-N 1 0 314.495 3.163 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000311714794 656011693 /nfs/dbraw/zinc/01/16/93/656011693.db2.gz WRTGYTVPGSPFOJ-KBPBESRZSA-N 1 0 323.437 3.217 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccc(S(C)(=O)=O)cc1 ZINC000715623767 661213331 /nfs/dbraw/zinc/21/33/31/661213331.db2.gz RCXCSFLCOTVZHS-TZMCWYRMSA-N 1 0 313.488 3.026 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC[C@H]2CCCS2)C1 ZINC000715633675 661213346 /nfs/dbraw/zinc/21/33/46/661213346.db2.gz FFNKSTUSPGCJBW-JXQTWKCFSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@@H](NC(=O)CCCCC[NH3+])c1ccccc1Br ZINC000037014522 661213506 /nfs/dbraw/zinc/21/35/06/661213506.db2.gz XVXDFHCCXMYTIH-LLVKDONJSA-N 1 0 313.239 3.145 10 0 DGAERO Brc1cnc(C[NH2+]CC[C@H]2CCCS2)s1 ZINC000715885433 661215527 /nfs/dbraw/zinc/21/55/27/661215527.db2.gz XWXYQEXYTKDVRE-MRVPVSSYSA-N 1 0 307.282 3.281 10 0 DGAERO FC(F)(F)[C@@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CCO1 ZINC000716079321 661217119 /nfs/dbraw/zinc/21/71/19/661217119.db2.gz GOXVAUVXGYIOPC-XETPVMHDSA-N 1 0 309.397 3.360 10 0 DGAERO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccns1 ZINC000715992971 661217809 /nfs/dbraw/zinc/21/78/09/661217809.db2.gz HMWYVSZUMWFTGY-CQSZACIVSA-N 1 0 301.459 3.458 10 0 DGAERO Cc1ccnc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000328182227 656055740 /nfs/dbraw/zinc/05/57/40/656055740.db2.gz NPVYQHAWSNNRJI-GDBMZVCRSA-N 1 0 319.449 3.173 10 0 DGAERO C[C@H](C[NH2+]Cc1cc(F)ccc1F)N(C)C(=O)OC(C)(C)C ZINC000309862675 656089818 /nfs/dbraw/zinc/08/98/18/656089818.db2.gz JPAGUQAHXOCMCV-LLVKDONJSA-N 1 0 314.376 3.310 10 0 DGAERO CSC1(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC000309874215 656092426 /nfs/dbraw/zinc/09/24/26/656092426.db2.gz UEZDLQFXPCAZOL-ZDUSSCGKSA-N 1 0 314.495 3.119 10 0 DGAERO Cc1cccnc1/C=C/C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000183440380 656112980 /nfs/dbraw/zinc/11/29/80/656112980.db2.gz CNNVVTWPQSMPKW-PMYSDTAASA-N 1 0 315.461 3.030 10 0 DGAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185287749 656125271 /nfs/dbraw/zinc/12/52/71/656125271.db2.gz ISJOPZQALWBIHN-ZDUSSCGKSA-N 1 0 313.829 3.314 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(F)ccc1Br ZINC000716884531 661230119 /nfs/dbraw/zinc/23/01/19/661230119.db2.gz IUOHDTJNHMTENE-BXKDBHETSA-N 1 0 304.203 3.227 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[C@H]2CCC3(CCC3)O2)C1 ZINC000716857306 661230158 /nfs/dbraw/zinc/23/01/58/661230158.db2.gz JETGBNMETBRXFJ-LSDHHAIUSA-N 1 0 324.465 3.077 10 0 DGAERO [NH3+][C@@H]1CN(C[C@H]2CCCCC2(F)F)CC[C@H]1C(F)(F)F ZINC000717125901 661250615 /nfs/dbraw/zinc/25/06/15/661250615.db2.gz JNGHMKCDZDVEFG-GMTAPVOTSA-N 1 0 300.315 3.023 10 0 DGAERO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2F)CC[C@@H]1C(F)(F)F ZINC000717152210 661255785 /nfs/dbraw/zinc/25/57/85/661255785.db2.gz JWJKUHYHAYVPOH-CMPLNLGQSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@@H]1CN(Cc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000717155223 661256028 /nfs/dbraw/zinc/25/60/28/661256028.db2.gz SACLIQXTFIVDSA-JOYOIKCWSA-N 1 0 310.722 3.191 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000125615108 656377764 /nfs/dbraw/zinc/37/77/64/656377764.db2.gz GHRJSYSWDSBMLT-CQSZACIVSA-N 1 0 318.808 3.159 10 0 DGAERO C[C@@H]1CCCN(C(=O)c2cscc2C(F)F)[C@H]1CC[NH3+] ZINC000717222076 661257443 /nfs/dbraw/zinc/25/74/43/661257443.db2.gz AVRVXKAFVOBAHX-SKDRFNHKSA-N 1 0 302.390 3.275 10 0 DGAERO Brc1ccoc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722316304 656422133 /nfs/dbraw/zinc/42/21/33/656422133.db2.gz PKOXBCNCIUYKIC-PWSUYJOCSA-N 1 0 300.196 3.089 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723630285 656496914 /nfs/dbraw/zinc/49/69/14/656496914.db2.gz YGYWLEJUCNYBPK-NXWXRZEISA-N 1 0 303.446 3.387 10 0 DGAERO C[C@@H](Cc1cccs1)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724059900 656507376 /nfs/dbraw/zinc/50/73/76/656507376.db2.gz RURAFTYRWVTZPV-WCBMZHEXSA-N 1 0 317.323 3.217 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000724109505 656509915 /nfs/dbraw/zinc/50/99/15/656509915.db2.gz MTAZPTCUQOWQAN-SECBINFHSA-N 1 0 303.296 3.095 10 0 DGAERO CC(C)CC(CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724312661 656513553 /nfs/dbraw/zinc/51/35/53/656513553.db2.gz GNLLSEHXJKUKTP-MQVJKMGUSA-N 1 0 301.496 3.145 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1)c1cc(Cl)ccc1Cl ZINC000724597940 656522247 /nfs/dbraw/zinc/52/22/47/656522247.db2.gz FCJQWMGGKSNEMM-OUCVZQCGSA-N 1 0 316.228 3.448 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(Cl)cn1 ZINC000722398585 656659651 /nfs/dbraw/zinc/65/96/51/656659651.db2.gz NSZZCMKWGUFIKH-PEXQALLHSA-N 1 0 308.731 3.496 10 0 DGAERO [NH3+][C@H]1CC[C@H](c2nc(Cc3cccc(Br)c3)no2)C1 ZINC000097067877 656941304 /nfs/dbraw/zinc/94/13/04/656941304.db2.gz HOOWGXGIMRDTNS-JQWIXIFHSA-N 1 0 322.206 3.018 10 0 DGAERO Fc1ccc(SCc2noc(C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000097329189 656943594 /nfs/dbraw/zinc/94/35/94/656943594.db2.gz SNFKYMLDDFQLCR-LLVKDONJSA-N 1 0 307.394 3.043 10 0 DGAERO COc1ccccc1CC[N@H+](C)Cn1nccc1-c1ccncc1 ZINC000067095081 656983992 /nfs/dbraw/zinc/98/39/92/656983992.db2.gz ADVFTVKCLUUMNU-UHFFFAOYSA-N 1 0 322.412 3.086 10 0 DGAERO CCN(C)[C@H](C(=O)OCCC[C@H]1CCCO1)c1ccccc1 ZINC000248491024 657029573 /nfs/dbraw/zinc/02/95/73/657029573.db2.gz ILJQIITYNDSHQI-SJORKVTESA-N 1 0 305.418 3.182 10 0 DGAERO Fc1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c(Cl)c1 ZINC000261796927 657104247 /nfs/dbraw/zinc/10/42/47/657104247.db2.gz QNHSNEIEIROXNL-INIZCTEOSA-N 1 0 305.784 3.021 10 0 DGAERO C[C@H](C[NH3+])c1noc(-c2cc(Br)ccc2Cl)n1 ZINC000054158920 657121115 /nfs/dbraw/zinc/12/11/15/657121115.db2.gz GTYTXAGKYIOXRX-ZCFIWIBFSA-N 1 0 316.586 3.215 10 0 DGAERO COc1ccc(OC)c([C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000261849577 657137060 /nfs/dbraw/zinc/13/70/60/657137060.db2.gz JGAVDKYMFOLYOU-UYHISHBKSA-N 1 0 312.413 3.499 10 0 DGAERO C[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)N(C)C(=O)OC(C)(C)C ZINC000304238967 657306858 /nfs/dbraw/zinc/30/68/58/657306858.db2.gz CRHAPSPSGXEFIY-WMLDXEAASA-N 1 0 318.461 3.389 10 0 DGAERO Fc1ccc(Br)cc1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000340456581 657360040 /nfs/dbraw/zinc/36/00/40/657360040.db2.gz IMMGMZYMSNWJQS-ZDUSSCGKSA-N 1 0 324.197 3.479 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000249873216 657435602 /nfs/dbraw/zinc/43/56/02/657435602.db2.gz GMLJTVRFCOOCOQ-CORIIIEPSA-N 1 0 322.453 3.157 10 0 DGAERO CCc1cc2c(nc(-c3ccccc3)nc2N2CC[NH2+]CC2)s1 ZINC000096205050 657512940 /nfs/dbraw/zinc/51/29/40/657512940.db2.gz JUGUNYWPFIKTBY-UHFFFAOYSA-N 1 0 324.453 3.330 10 0 DGAERO CO[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1C ZINC000251700224 657529714 /nfs/dbraw/zinc/52/97/14/657529714.db2.gz JYDGVASBEGTJRE-WKPIXPDZSA-N 1 0 318.244 3.384 10 0 DGAERO C/C(=C/c1ccco1)C[NH+]1CCC2(CC1)CCNC(=O)CC2 ZINC000096809846 657555011 /nfs/dbraw/zinc/55/50/11/657555011.db2.gz YDJRECTVELLKAN-SQFISAMPSA-N 1 0 302.418 3.065 10 0 DGAERO CC(C)/C=C\C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000096865172 657560236 /nfs/dbraw/zinc/56/02/36/657560236.db2.gz JFDODUREGBFZDD-RXQFDZFGSA-N 1 0 300.446 3.022 10 0 DGAERO Fc1ccc(SCc2noc(C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000097329188 657631738 /nfs/dbraw/zinc/63/17/38/657631738.db2.gz SNFKYMLDDFQLCR-NSHDSACASA-N 1 0 307.394 3.043 10 0 DGAERO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000720410114 657696746 /nfs/dbraw/zinc/69/67/46/657696746.db2.gz IVKSYRSIKGCVOY-FRRDWIJNSA-N 1 0 310.429 3.277 10 0 DGAERO COC(=O)[C@@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000722109641 657726419 /nfs/dbraw/zinc/72/64/19/657726419.db2.gz MXEFEKCUBQNZNT-IINYFYTJSA-N 1 0 316.228 3.277 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CSC(C)(C)C)C1 ZINC000163262100 657749956 /nfs/dbraw/zinc/74/99/56/657749956.db2.gz IPBKGQJZCWHQAA-CQSZACIVSA-N 1 0 300.512 3.002 10 0 DGAERO CSC1CCC(C[NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000720566072 657931080 /nfs/dbraw/zinc/93/10/80/657931080.db2.gz GEYLGMWMCVXBJX-NXYGQSRBSA-N 1 0 323.502 3.076 10 0 DGAERO C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000098144325 657941301 /nfs/dbraw/zinc/94/13/01/657941301.db2.gz MOFNEYWCRMGXIT-AWEZNQCLSA-N 1 0 316.445 3.381 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000721849369 658135150 /nfs/dbraw/zinc/13/51/50/658135150.db2.gz PALLAKOTLJEPKT-HZSPNIEDSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc(Cl)c(Cl)c1 ZINC000721022450 658398543 /nfs/dbraw/zinc/39/85/43/658398543.db2.gz ODPFVLULWINJPR-ZMZKGCHWSA-N 1 0 313.228 3.026 10 0 DGAERO C[C@@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc(Cl)c(Cl)c1 ZINC000721022445 658398970 /nfs/dbraw/zinc/39/89/70/658398970.db2.gz ODPFVLULWINJPR-GJTWSCIVSA-N 1 0 313.228 3.026 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721852352 658754963 /nfs/dbraw/zinc/75/49/63/658754963.db2.gz KQEIQOABEDEVMR-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000721898814 658760512 /nfs/dbraw/zinc/76/05/12/658760512.db2.gz OHWWISCOKGVLSK-OTWHNJEPSA-N 1 0 304.478 3.158 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000721987333 658764577 /nfs/dbraw/zinc/76/45/77/658764577.db2.gz WJMBPVAZSZVMPO-LLVKDONJSA-N 1 0 316.214 3.181 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccc2ccccc2n1 ZINC000129576269 658923183 /nfs/dbraw/zinc/92/31/83/658923183.db2.gz BMHYQIZYCKLSLQ-PCUGXKRQSA-N 1 0 323.440 3.239 10 0 DGAERO C[C@H]1OCCN(Cc2ccc(SC(=O)N(C)C)cc2)[C@H]1C ZINC000156506906 658925392 /nfs/dbraw/zinc/92/53/92/658925392.db2.gz GDQXKUXVCCGERK-QWHCGFSZSA-N 1 0 308.447 3.070 10 0 DGAERO O=C(NCC[NH+]1CCCC1)c1ccccc1Cc1cccs1 ZINC000222795006 658946493 /nfs/dbraw/zinc/94/64/93/658946493.db2.gz VFUMUZBQXFZENI-UHFFFAOYSA-N 1 0 314.454 3.165 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cn1ccc(-c3ccccc3)n1)CC2 ZINC000164960620 658959540 /nfs/dbraw/zinc/95/95/40/658959540.db2.gz WOKLHAXMWWOIQI-IEBWSBKVSA-N 1 0 311.429 3.135 10 0 DGAERO C[C@@H]1CCCN(Cc2cccc(F)c2Br)[C@@H]1C[NH3+] ZINC000157010508 658976328 /nfs/dbraw/zinc/97/63/28/658976328.db2.gz CODGCRWVRKDPCU-ZWNOBZJWSA-N 1 0 315.230 3.147 10 0 DGAERO C[C@@H](NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000722595344 658978986 /nfs/dbraw/zinc/97/89/86/658978986.db2.gz JDUUVFMCKCIVRK-CKYFFXLPSA-N 1 0 315.244 3.416 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000224902735 659035044 /nfs/dbraw/zinc/03/50/44/659035044.db2.gz VPGDVZDVAXHVPY-HSBZDZAISA-N 1 0 320.433 3.402 10 0 DGAERO CC(C)(C)C(=O)CC[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000323874024 659153742 /nfs/dbraw/zinc/15/37/42/659153742.db2.gz BBPIYWYLKDGQDR-UHFFFAOYSA-N 1 0 302.462 3.200 10 0 DGAERO C[NH+](C)C[C@@H](NCc1occc1Br)c1ccccc1 ZINC000227364977 659153802 /nfs/dbraw/zinc/15/38/02/659153802.db2.gz CXALCBIUYDYMDA-CQSZACIVSA-N 1 0 323.234 3.435 10 0 DGAERO CN(CC[NH2+]Cc1cncc2ccccc21)C(=O)OC(C)(C)C ZINC000227596833 659158568 /nfs/dbraw/zinc/15/85/68/659158568.db2.gz VVQBYINIXASPFF-UHFFFAOYSA-N 1 0 315.417 3.191 10 0 DGAERO CCOc1ccccc1C[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000227758508 659163142 /nfs/dbraw/zinc/16/31/42/659163142.db2.gz NRPIXCTYDBCPSE-CMDGGOBGSA-N 1 0 320.433 3.256 10 0 DGAERO Cc1sc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1Br ZINC000227839260 659165923 /nfs/dbraw/zinc/16/59/23/659165923.db2.gz GRSRDWNKGZQOST-CABZTGNLSA-N 1 0 304.253 3.070 10 0 DGAERO C[C@@H](O)CCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000228035473 659170789 /nfs/dbraw/zinc/17/07/89/659170789.db2.gz BGXURUPYDZRMAF-MFKMUULPSA-N 1 0 314.223 3.023 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@@H]2OC)c1 ZINC000087788085 659320038 /nfs/dbraw/zinc/32/00/38/659320038.db2.gz HAGDLHNWRKKYPE-KBPBESRZSA-N 1 0 314.223 3.115 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)nc1 ZINC000230943748 659359614 /nfs/dbraw/zinc/35/96/14/659359614.db2.gz AMIOGQVYHBWNPS-GOEBONIOSA-N 1 0 319.449 3.268 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)C(C)(C)C ZINC000173393107 659384283 /nfs/dbraw/zinc/38/42/83/659384283.db2.gz WRFBDFSAJPFITD-SNVBAGLBSA-N 1 0 305.390 3.207 10 0 DGAERO CC(C)[C@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)CCS1 ZINC000174338698 659428203 /nfs/dbraw/zinc/42/82/03/659428203.db2.gz WQGVCNHFVKFXJY-LSDHHAIUSA-N 1 0 301.402 3.072 10 0 DGAERO Cc1cc(C)cc([C@H](O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000174665043 659472728 /nfs/dbraw/zinc/47/27/28/659472728.db2.gz PPUFHFYIMFIMHU-QGZVFWFLSA-N 1 0 313.397 3.198 10 0 DGAERO O[C@@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CCCC12CCC2 ZINC000444782501 659886744 /nfs/dbraw/zinc/88/67/44/659886744.db2.gz CRPVWQQJYPLXSV-MJGOQNOKSA-N 1 0 315.457 3.460 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)ccc1OC ZINC000181284347 659991914 /nfs/dbraw/zinc/99/19/14/659991914.db2.gz YAYLDILKCYSZML-MPGHIAIKSA-N 1 0 320.477 3.221 10 0 DGAERO CS[C@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295155 659992615 /nfs/dbraw/zinc/99/26/15/659992615.db2.gz UAMJYKAEWSQGJT-CXAGYDPISA-N 1 0 319.470 3.044 10 0 DGAERO c1[nH]nc2c1[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000353590207 660004935 /nfs/dbraw/zinc/00/49/35/660004935.db2.gz IRVIFHNJTQHMMI-NVXWUHKLSA-N 1 0 302.466 3.174 10 0 DGAERO Cc1cc([C@@](C)(O)C[NH2+]Cc2cccc3cnccc32)c(C)o1 ZINC000181532907 660005215 /nfs/dbraw/zinc/00/52/15/660005215.db2.gz KOZLWXKMTWVUEB-IBGZPJMESA-N 1 0 310.397 3.442 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069683419 660015064 /nfs/dbraw/zinc/01/50/64/660015064.db2.gz SMWIMVZVIUVCHM-OALUTQOASA-N 1 0 311.425 3.436 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1cccc(Br)c1 ZINC000182580350 660063501 /nfs/dbraw/zinc/06/35/01/660063501.db2.gz VXAQLZPLCLFJHU-GHMZBOCLSA-N 1 0 312.207 3.053 10 0 DGAERO CSCCCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183179508 660103292 /nfs/dbraw/zinc/10/32/92/660103292.db2.gz FWUMHBJHZFHIOJ-INIZCTEOSA-N 1 0 307.459 3.337 10 0 DGAERO CCCCOC(=O)CC[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183168607 660103847 /nfs/dbraw/zinc/10/38/47/660103847.db2.gz CJFXDZNIFGDVIV-OAHLLOKOSA-N 1 0 315.417 3.256 10 0 DGAERO C=CCCO[C@@H](C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183186372 660104048 /nfs/dbraw/zinc/10/40/48/660104048.db2.gz VJLRZOCERRAKHR-FUHWJXTLSA-N 1 0 317.429 3.175 10 0 DGAERO CC(C)OCCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183191556 660104136 /nfs/dbraw/zinc/10/41/36/660104136.db2.gz FZQPWOPLVKRHPJ-KRWDZBQOSA-N 1 0 305.418 3.009 10 0 DGAERO CC(C)(C)OCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183199425 660104595 /nfs/dbraw/zinc/10/45/95/660104595.db2.gz HEVYASJEQPQABB-INIZCTEOSA-N 1 0 305.418 3.009 10 0 DGAERO [NH3+]Cc1ccccc1C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000071700238 660140125 /nfs/dbraw/zinc/14/01/25/660140125.db2.gz GTXWVUHANIZNIX-UHFFFAOYSA-N 1 0 316.430 3.297 10 0 DGAERO Cn1nccc1CC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000184009987 660152291 /nfs/dbraw/zinc/15/22/91/660152291.db2.gz XDWDZMDQTCQWTP-UHFFFAOYSA-N 1 0 317.436 3.440 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000184466175 660169488 /nfs/dbraw/zinc/16/94/88/660169488.db2.gz VVLGHVBJPJHKBL-UONOGXRCSA-N 1 0 308.422 3.496 10 0 DGAERO C[C@H]1CC(=O)CC[C@H]1C(=O)OCCC[N@H+](C)Cc1ccccc1 ZINC000184567615 660172906 /nfs/dbraw/zinc/17/29/06/660172906.db2.gz FOPYSWUUDOTKHB-MAUKXSAKSA-N 1 0 317.429 3.057 10 0 DGAERO COC[C@@H]([NH2+]C[C@H](O)c1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184696354 660181793 /nfs/dbraw/zinc/18/17/93/660181793.db2.gz YIXQXYRCSZSTCZ-SJORKVTESA-N 1 0 303.402 3.216 10 0 DGAERO COCc1cc([C@H](C)[NH2+]CCN2CCCC[C@H]2C)ccc1OC ZINC000156631090 661863981 /nfs/dbraw/zinc/86/39/81/661863981.db2.gz VEFLGJUYUXFAAR-CVEARBPZSA-N 1 0 320.477 3.367 10 0 DGAERO CC[N@H+](CCc1nccs1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000159381196 661886967 /nfs/dbraw/zinc/88/69/67/661886967.db2.gz GDNCLNKNQVTZRP-MRXNPFEDSA-N 1 0 304.459 3.358 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)c1ccccc1F ZINC000159811742 661895925 /nfs/dbraw/zinc/89/59/25/661895925.db2.gz XPXKGIHYCOGZIL-OAHLLOKOSA-N 1 0 308.422 3.269 10 0 DGAERO Cc1ccc(OCC[N@@H+](C)C[C@H](O)c2ccccc2F)cc1 ZINC000075608890 661938590 /nfs/dbraw/zinc/93/85/90/661938590.db2.gz LLEKHIIAGDOIHZ-SFHVURJKSA-N 1 0 303.377 3.178 10 0 DGAERO Cc1cc(C)cc([C@@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000075752660 661946021 /nfs/dbraw/zinc/94/60/21/661946021.db2.gz FJFVVQGRKROBFJ-FQEVSTJZSA-N 1 0 316.489 3.287 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccc(F)nc1)C1CC1 ZINC000189087069 661962114 /nfs/dbraw/zinc/96/21/14/661962114.db2.gz FZYFMPCSIVDTCG-QGZVFWFLSA-N 1 0 323.412 3.004 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000076007860 661962641 /nfs/dbraw/zinc/96/26/41/661962641.db2.gz HGWOGXYAWLZAIF-OAHLLOKOSA-N 1 0 308.397 3.315 10 0 DGAERO COc1cc(Br)ccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000189560423 661981826 /nfs/dbraw/zinc/98/18/26/661981826.db2.gz ZSXQYWUJJFTTBG-CYBMUJFWSA-N 1 0 312.207 3.240 10 0 DGAERO C([C@H]1CCCO1)[N@H+](CC1CCC2(CC1)OCCO2)C1CCCC1 ZINC000190251641 662024915 /nfs/dbraw/zinc/02/49/15/662024915.db2.gz MPFUWRBVQUHYTB-GOSISDBHSA-N 1 0 323.477 3.343 10 0 DGAERO O=C(c1ccc(F)cc1)C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000192473137 662099417 /nfs/dbraw/zinc/09/94/17/662099417.db2.gz PSYSQQNWMJRIPR-UHFFFAOYSA-N 1 0 319.420 3.416 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1F ZINC000192703154 662108606 /nfs/dbraw/zinc/10/86/06/662108606.db2.gz JVALSDUIIUADBX-ZDUSSCGKSA-N 1 0 304.409 3.186 10 0 DGAERO CCCCC[C@@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193031944 662121323 /nfs/dbraw/zinc/12/13/23/662121323.db2.gz GLPPHBSSFYDAGC-MRXNPFEDSA-N 1 0 309.498 3.473 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000193522165 662136850 /nfs/dbraw/zinc/13/68/50/662136850.db2.gz YJAZPJIXWUHERY-GXSJLCMTSA-N 1 0 308.834 3.425 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1cccnc1=S ZINC000194655605 662170889 /nfs/dbraw/zinc/17/08/89/662170889.db2.gz BLAQAZKSWKVVEX-OAHLLOKOSA-N 1 0 315.442 3.286 10 0 DGAERO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(C(F)(F)F)s1 ZINC000717905754 662197193 /nfs/dbraw/zinc/19/71/93/662197193.db2.gz QOBBOAXLDOGILL-SECBINFHSA-N 1 0 303.353 3.394 10 0 DGAERO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717934515 662207026 /nfs/dbraw/zinc/20/70/26/662207026.db2.gz FCNMNHHZXAEJSZ-BDAKNGLRSA-N 1 0 308.369 3.284 10 0 DGAERO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(C(F)(F)F)s1 ZINC000717985046 662213238 /nfs/dbraw/zinc/21/32/38/662213238.db2.gz OJDVOYSNZASQNG-RNFRBKRXSA-N 1 0 303.296 3.434 10 0 DGAERO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(C(F)(F)F)s2)n1 ZINC000717966166 662213460 /nfs/dbraw/zinc/21/34/60/662213460.db2.gz BZTUUYQYNJKKIM-SSDOTTSWSA-N 1 0 304.341 3.087 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000089431262 662243741 /nfs/dbraw/zinc/24/37/41/662243741.db2.gz RZJCUKMDZQKUSZ-ZYHUDNBSSA-N 1 0 309.772 3.295 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000089431037 662243752 /nfs/dbraw/zinc/24/37/52/662243752.db2.gz YPRYYLWJMAENJW-ZJUUUORDSA-N 1 0 322.206 3.342 10 0 DGAERO COc1cc[nH+]c(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000089806442 662248457 /nfs/dbraw/zinc/24/84/57/662248457.db2.gz BXYNHJIICKLYEC-ZDUSSCGKSA-N 1 0 321.421 3.149 10 0 DGAERO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cccc(Cl)c1Cl ZINC000718425693 662255101 /nfs/dbraw/zinc/25/51/01/662255101.db2.gz JTQDLVOVIKIIKI-XNWIYYODSA-N 1 0 301.217 3.298 10 0 DGAERO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)sc1Cl ZINC000718556128 662257926 /nfs/dbraw/zinc/25/79/26/662257926.db2.gz YRQOIXNHXQBYCA-KKMMWDRVSA-N 1 0 307.246 3.360 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000718731148 662260994 /nfs/dbraw/zinc/26/09/94/662260994.db2.gz FGNFNRKOIICSTO-UONOGXRCSA-N 1 0 314.470 3.227 10 0 DGAERO CC[C@H](C[NH2+][C@H]1CCC[C@@H](OC)CC1)NC(=O)OC(C)(C)C ZINC000718738085 662261059 /nfs/dbraw/zinc/26/10/59/662261059.db2.gz WUBBEVCSMAUBBE-QLFBSQMISA-N 1 0 314.470 3.227 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]C/C=C\CNC(=O)OC(C)(C)C)CC1 ZINC000718734934 662261101 /nfs/dbraw/zinc/26/11/01/662261101.db2.gz MPBXOVSXVUFNAI-RWCKICOTSA-N 1 0 312.454 3.005 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000718771775 662261633 /nfs/dbraw/zinc/26/16/33/662261633.db2.gz AVEIVXBOTGMOLE-YTQUADARSA-N 1 0 304.478 3.444 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000718804238 662262017 /nfs/dbraw/zinc/26/20/17/662262017.db2.gz ZDLREQOJAYGVSD-RBUKOAKNSA-N 1 0 313.445 3.369 10 0 DGAERO CO[C@]1(C[NH2+]Cc2ccc(CSC(F)F)o2)CCSC1 ZINC000719205413 662271505 /nfs/dbraw/zinc/27/15/05/662271505.db2.gz UGLGKHDLLQNYPD-ZDUSSCGKSA-N 1 0 323.430 3.347 10 0 DGAERO CCC(CC)(CO)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719221001 662271573 /nfs/dbraw/zinc/27/15/73/662271573.db2.gz JYTHDGDUZCZHDH-UHFFFAOYSA-N 1 0 321.284 3.102 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2CCC(C)(C)O2)sc1Br ZINC000719241914 662271861 /nfs/dbraw/zinc/27/18/61/662271861.db2.gz VFPIDAHYJMJYIL-VIFPVBQESA-N 1 0 319.268 3.261 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)sc1Br ZINC000719312266 662273176 /nfs/dbraw/zinc/27/31/76/662273176.db2.gz ZIQVJNMRXXTBCU-LPEHRKFASA-N 1 0 301.253 3.492 10 0 DGAERO CO[C@]1(C[NH2+]Cc2csc(C(C)(C)C)n2)CCSC1 ZINC000719301710 662273559 /nfs/dbraw/zinc/27/35/59/662273559.db2.gz KLKMKOUSMVGEGO-AWEZNQCLSA-N 1 0 300.493 3.052 10 0 DGAERO CO[C@]1(C[NH2+]Cc2cnc(C(C)(C)C)s2)CCSC1 ZINC000719300170 662273788 /nfs/dbraw/zinc/27/37/88/662273788.db2.gz DMCQOIOVVBBXKP-AWEZNQCLSA-N 1 0 300.493 3.052 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1Cc1cccc(Cl)c1Br ZINC000719424885 662284312 /nfs/dbraw/zinc/28/43/12/662284312.db2.gz BPAJJXYRZGBFOA-KWQFWETISA-N 1 0 303.631 3.024 10 0 DGAERO Cc1ccc(C[NH2+]CCc2cncn2C)c(C)c1Br ZINC000719623278 662294145 /nfs/dbraw/zinc/29/41/45/662294145.db2.gz YUSSBSQPYJYDNL-UHFFFAOYSA-N 1 0 322.250 3.132 10 0 DGAERO CC1CCC(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000092040622 662326494 /nfs/dbraw/zinc/32/64/94/662326494.db2.gz PWZADBHHMROMDG-GQGLESIBSA-N 1 0 307.434 3.230 10 0 DGAERO C[C@@H]1OCCC[C@H]1C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248848818 662360505 /nfs/dbraw/zinc/36/05/05/662360505.db2.gz ANOKHGHJYXGGDM-RYQLBKOJSA-N 1 0 317.429 3.009 10 0 DGAERO Fc1cccc(F)c1CN1CCC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000249035376 662363368 /nfs/dbraw/zinc/36/33/68/662363368.db2.gz SFVDOVLXZCHJGB-LSDHHAIUSA-N 1 0 322.399 3.212 10 0 DGAERO O[C@@H](C[NH2+]C1(C2CC2)CCC1)c1cccc(Br)c1 ZINC000717836924 685276093 /nfs/dbraw/zinc/27/60/93/685276093.db2.gz VKUSCNBJBFHHOH-AWEZNQCLSA-N 1 0 310.235 3.405 10 0 DGAERO CCOc1ccccc1C[N@H+](C)C[C@H](O)c1ccccc1F ZINC000134025835 685069367 /nfs/dbraw/zinc/06/93/67/685069367.db2.gz RYQWOHSHFPPURQ-KRWDZBQOSA-N 1 0 303.377 3.390 10 0 DGAERO COC1CC([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000381225194 685156011 /nfs/dbraw/zinc/15/60/11/685156011.db2.gz IERBDMICOVXQRD-KTOWXAHTSA-N 1 0 302.237 3.265 10 0 DGAERO C[C@@H]([NH2+]Cc1nc(Br)c[nH]1)[C@H]1CC2CCC1CC2 ZINC000381594801 685159136 /nfs/dbraw/zinc/15/91/36/685159136.db2.gz FEYHGTDFUDFWOA-HBIQZDMRSA-N 1 0 312.255 3.477 10 0 DGAERO Cc1cccc(C)c1C[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381721522 685158982 /nfs/dbraw/zinc/15/89/82/685158982.db2.gz AJGUETGZQRRZBI-SREVYHEPSA-N 1 0 304.434 3.474 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCc2cccnc21)[C@H](C)NC(=O)OC(C)(C)C ZINC000381761521 685159563 /nfs/dbraw/zinc/15/95/63/685159563.db2.gz ORKJROXULILZPO-IPYPFGDCSA-N 1 0 319.449 3.350 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000381761524 685159863 /nfs/dbraw/zinc/15/98/63/685159863.db2.gz ORKJROXULILZPO-KCQAQPDRSA-N 1 0 319.449 3.350 10 0 DGAERO Cc1nc(C)c(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000381837435 685160002 /nfs/dbraw/zinc/16/00/02/685160002.db2.gz AWCOMTPAYPLSPT-AWEZNQCLSA-N 1 0 323.437 3.028 10 0 DGAERO CC[C@H](C[NH2+]C[C@]1(C)CCCS1)NC(=O)OC(C)(C)C ZINC000382014941 685161476 /nfs/dbraw/zinc/16/14/76/685161476.db2.gz NXPLHNAYMDPORM-DOMZBBRYSA-N 1 0 302.484 3.165 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000381957923 685161775 /nfs/dbraw/zinc/16/17/75/685161775.db2.gz GAVZHVXGGJURNS-MELADBBJSA-N 1 0 314.495 3.023 10 0 DGAERO Cc1cccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1F ZINC000384513521 685171362 /nfs/dbraw/zinc/17/13/62/685171362.db2.gz UTBMKEBFVTVYER-AATRIKPKSA-N 1 0 308.397 3.305 10 0 DGAERO CN1CCC[NH+]=C1NCc1ccccc1OCc1ccccc1 ZINC000386396521 685178179 /nfs/dbraw/zinc/17/81/79/685178179.db2.gz GIUBDSBCIVJMIX-UHFFFAOYSA-N 1 0 309.413 3.047 10 0 DGAERO [NH3+][C@H](CC(=O)Nc1ccccc1OCc1ccccc1)C1CC1 ZINC000390698528 685203953 /nfs/dbraw/zinc/20/39/53/685203953.db2.gz BMKWYPUGHJNWHF-MRXNPFEDSA-N 1 0 310.397 3.332 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000394610253 685222620 /nfs/dbraw/zinc/22/26/20/685222620.db2.gz MGQXSWHQHCZQAU-RWMBFGLXSA-N 1 0 314.470 3.224 10 0 DGAERO c1ccc(COCc2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)cc1 ZINC000395573485 685225520 /nfs/dbraw/zinc/22/55/20/685225520.db2.gz SVQSMHXORHGSRP-OAGGEKHMSA-N 1 0 313.401 3.380 10 0 DGAERO Cc1cnccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000395378647 685225644 /nfs/dbraw/zinc/22/56/44/685225644.db2.gz QJCCVUDDMHGBHV-ZBFHGGJFSA-N 1 0 319.449 3.173 10 0 DGAERO Cc1cc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000397021531 685228726 /nfs/dbraw/zinc/22/87/26/685228726.db2.gz BYLVQZPQOIZTTA-MRXNPFEDSA-N 1 0 319.449 3.188 10 0 DGAERO C[C@H](CCc1ccco1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000397606035 685230543 /nfs/dbraw/zinc/23/05/43/685230543.db2.gz AEKNFSNUKVITRS-CYBMUJFWSA-N 1 0 308.422 3.057 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000397783418 685232382 /nfs/dbraw/zinc/23/23/82/685232382.db2.gz PNYFTFSOPLOYGE-UHFFFAOYSA-N 1 0 310.825 3.297 10 0 DGAERO C[C@]1(C[NH2+]C[C@@H](O)c2ccccc2)CCCN1Cc1ccccc1 ZINC000398007025 685233849 /nfs/dbraw/zinc/23/38/49/685233849.db2.gz YKWXPIKDHURPLB-NHCUHLMSSA-N 1 0 324.468 3.364 10 0 DGAERO Cc1ccoc1C[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399028163 1176230496 /nfs/dbraw/zinc/23/04/96/1176230496.db2.gz KLMWQPIAEKRUAK-ZIAGYGMSSA-N 1 0 308.422 3.466 10 0 DGAERO CC(C)CCOCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389811637 1176254944 /nfs/dbraw/zinc/25/49/44/1176254944.db2.gz GEUDIQLNSTUFMN-HKUYNNGSSA-N 1 0 304.478 3.159 10 0 DGAERO CCOc1ccc(NC(=O)c2csc([C@@H](C)N)n2)c(C)c1 ZINC000090949253 1176258764 /nfs/dbraw/zinc/25/87/64/1176258764.db2.gz XPGYAXKSFXUOSD-SNVBAGLBSA-N 1 0 305.403 3.122 10 0 DGAERO C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC[C@@H]1CCOC1 ZINC000390788014 1176430973 /nfs/dbraw/zinc/43/09/73/1176430973.db2.gz ZZBDJFYTGJPEQZ-LSDHHAIUSA-N 1 0 314.470 3.086 10 0 DGAERO CC[C@@H]1CCC[C@@H](C[NH2+]CCn2cc(Br)cn2)C1 ZINC000394517780 1176751604 /nfs/dbraw/zinc/75/16/04/1176751604.db2.gz IECGLBGDZTVFJO-CHWSQXEVSA-N 1 0 314.271 3.452 10 0 DGAERO CC[C@H]1CCC[C@@H](C[NH2+]Cc2nn(C)cc2Br)C1 ZINC000394609269 1176751776 /nfs/dbraw/zinc/75/17/76/1176751776.db2.gz INYMCICICYUXTD-NWDGAFQWSA-N 1 0 314.271 3.489 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1ccc(F)cc1F ZINC000397836165 1176780040 /nfs/dbraw/zinc/78/00/40/1176780040.db2.gz HGJVGAVPZBNBTH-UHFFFAOYSA-N 1 0 314.376 3.359 10 0 DGAERO Cc1nccn1CC[NH2+]Cc1ccc(Br)cc1C ZINC000395143546 1176785401 /nfs/dbraw/zinc/78/54/01/1176785401.db2.gz ARUWCZXHWUNYNS-UHFFFAOYSA-N 1 0 308.223 3.052 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1ccc(C)c(Br)c1 ZINC000398474466 1176792018 /nfs/dbraw/zinc/79/20/18/1176792018.db2.gz SCNNOHIZZZTXHA-ZDUSSCGKSA-N 1 0 300.240 3.398 10 0 DGAERO Cc1ccc(O)c(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000379656779 1176804427 /nfs/dbraw/zinc/80/44/27/1176804427.db2.gz QMLNGVTZMXGPKB-MRXNPFEDSA-N 1 0 313.445 3.096 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1ccc(Br)cc1F ZINC000398501426 1177021460 /nfs/dbraw/zinc/02/14/60/1177021460.db2.gz JJLGQAXEBAECRQ-GFCCVEGCSA-N 1 0 304.203 3.229 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1 ZINC000381997694 1177026308 /nfs/dbraw/zinc/02/63/08/1177026308.db2.gz QHWPZTCSXJXAMR-LSDHHAIUSA-N 1 0 319.449 3.173 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1cc(F)ccc1Br ZINC000398536092 1177026520 /nfs/dbraw/zinc/02/65/20/1177026520.db2.gz ZFRUFTMULMGFFS-GFCCVEGCSA-N 1 0 304.203 3.229 10 0 DGAERO CCC[C@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)OC ZINC000382161329 1177027457 /nfs/dbraw/zinc/02/74/57/1177027457.db2.gz SVBDLDDMVMISKE-UONOGXRCSA-N 1 0 302.459 3.085 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2c(F)ccc(Br)c2F)[C@H](C)O1 ZINC000385087244 1177154118 /nfs/dbraw/zinc/15/41/18/1177154118.db2.gz FUQPCGOXVMYYEF-LWINAJNOSA-N 1 0 320.177 3.383 10 0 DGAERO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC23CCC(CC2)C3)C1 ZINC000333722466 1177363333 /nfs/dbraw/zinc/36/33/33/1177363333.db2.gz RSBAJYIELAOHTH-CSLYMUCUSA-N 1 0 316.449 3.128 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085367854 1177712791 /nfs/dbraw/zinc/71/27/91/1177712791.db2.gz JPWIAHBCQOEYJF-OCCSQVGLSA-N 1 0 315.244 3.469 10 0 DGAERO CCCn1cncc1C[NH2+]C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC000387522343 1177895270 /nfs/dbraw/zinc/89/52/70/1177895270.db2.gz KNNNLRJSKPNFHM-CQSZACIVSA-N 1 0 324.469 3.028 10 0 DGAERO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000067504780 1195639551 /nfs/dbraw/zinc/63/95/51/1195639551.db2.gz XKOYCKGQHBIZQK-GFCCVEGCSA-N 1 0 316.405 3.324 10 0 DGAERO c1cc(-c2nc(C[NH2+]CCOC[C@@H]3CCOC3)cs2)cs1 ZINC000068993640 1195762850 /nfs/dbraw/zinc/76/28/50/1195762850.db2.gz SYFUOOANCHGYEY-GFCCVEGCSA-N 1 0 324.471 3.014 10 0 DGAERO COc1cc(C[NH2+]CCCCNc2ccccn2)cc(OC)c1 ZINC000078847531 1196802560 /nfs/dbraw/zinc/80/25/60/1196802560.db2.gz XMGQPGWRNHIMMO-UHFFFAOYSA-N 1 0 315.417 3.081 10 0 DGAERO COc1ccc(C[NH2+]CCCCNc2ccccn2)cc1OC ZINC000078847708 1196804312 /nfs/dbraw/zinc/80/43/12/1196804312.db2.gz RYCWEMFFPCEQPL-UHFFFAOYSA-N 1 0 315.417 3.081 10 0 DGAERO C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccc(Br)cc1 ZINC000392919625 1197717892 /nfs/dbraw/zinc/71/78/92/1197717892.db2.gz WPFJICXZFUYHNM-JTQLQIEISA-N 1 0 307.191 3.401 10 0 DGAERO CCc1cc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc(C)n1 ZINC000379681928 1197703219 /nfs/dbraw/zinc/70/32/19/1197703219.db2.gz UWLSCQOQFCEZIN-LJQANCHMSA-N 1 0 324.472 3.236 10 0 DGAERO CCC[C@H](C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1)OC ZINC000379639174 1197703424 /nfs/dbraw/zinc/70/34/24/1197703424.db2.gz AOFTXFOHKKKDCR-RBUKOAKNSA-N 1 0 304.478 3.446 10 0 DGAERO CC(C)(C)SCC[NH2+]Cc1ccc(Br)cn1 ZINC000381173813 1197705264 /nfs/dbraw/zinc/70/52/64/1197705264.db2.gz UTBTZUAZTGSFNY-UHFFFAOYSA-N 1 0 303.269 3.465 10 0 DGAERO C[N@H+](CCNc1cccc(C#N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000386652863 1197707673 /nfs/dbraw/zinc/70/76/73/1197707673.db2.gz BYIBGALYJRLCMO-UHFFFAOYSA-N 1 0 310.357 3.010 10 0 DGAERO Ic1ccccc1C[NH2+]CCC1CC1 ZINC000389362832 1197709876 /nfs/dbraw/zinc/70/98/76/1197709876.db2.gz SZEZITHDGQOAPG-UHFFFAOYSA-N 1 0 301.171 3.181 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)C1CC1 ZINC000091344412 1198379574 /nfs/dbraw/zinc/37/95/74/1198379574.db2.gz DTWRWDFSILWHBY-DNVCBOLYSA-N 1 0 302.462 3.004 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC000300218344 1199349336 /nfs/dbraw/zinc/34/93/36/1199349336.db2.gz SFXPLKOJIHPHRD-LEOABGAYSA-N 1 0 308.466 3.410 10 0 DGAERO Cc1ccnc(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000401660881 1199413547 /nfs/dbraw/zinc/41/35/47/1199413547.db2.gz DIVHHFAGFXIKAC-ZBFHGGJFSA-N 1 0 319.449 3.125 10 0 DGAERO CC[C@](C)(C[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)OC ZINC000401832914 1199420805 /nfs/dbraw/zinc/42/08/05/1199420805.db2.gz KFEDJBORIGMNOX-GRDNDAEWSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(C(F)(F)F)cc1Cl ZINC000301295445 1199428115 /nfs/dbraw/zinc/42/81/15/1199428115.db2.gz RXTSQTFQAWHWPO-KOLCDFICSA-N 1 0 319.758 3.427 10 0 DGAERO CCSCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404743649 1199580895 /nfs/dbraw/zinc/58/08/95/1199580895.db2.gz QSEAXSRYPHUTMS-NEPJUHHUSA-N 1 0 302.484 3.021 10 0 DGAERO CCCCOCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404946696 1199588744 /nfs/dbraw/zinc/58/87/44/1199588744.db2.gz OAHZQEHFOGDEFL-ZIAGYGMSSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccco2)C12CCC2 ZINC000405227076 1199595160 /nfs/dbraw/zinc/59/51/60/1199595160.db2.gz OZIDIGMMEMEIGN-GJZGRUSLSA-N 1 0 320.433 3.248 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C12CCC2 ZINC000405238969 1199595817 /nfs/dbraw/zinc/59/58/17/1199595817.db2.gz GOKHVDDXEVNVOW-XLWJZTARSA-N 1 0 306.450 3.210 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000306737810 1199696729 /nfs/dbraw/zinc/69/67/29/1199696729.db2.gz RRENYFJZKZPAAD-RXVVDRJESA-N 1 0 324.468 3.313 10 0 DGAERO CC(C)OCCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000309990098 1199712621 /nfs/dbraw/zinc/71/26/21/1199712621.db2.gz ZJOJRLBEBWZECR-UHFFFAOYSA-N 1 0 302.459 3.085 10 0 DGAERO Cc1nccn1CC[NH2+]Cc1ccc(C)c(Br)c1 ZINC000310640737 1199723158 /nfs/dbraw/zinc/72/31/58/1199723158.db2.gz SUXVWUJTRXEIAJ-UHFFFAOYSA-N 1 0 308.223 3.052 10 0 DGAERO C[C@H](C[NH2+]CCn1cc(Br)cn1)C1CCCCC1 ZINC000311192953 1199736168 /nfs/dbraw/zinc/73/61/68/1199736168.db2.gz DISQCAPDADYBEY-GFCCVEGCSA-N 1 0 314.271 3.452 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(CO)c2)cn1 ZINC000121362516 1200210191 /nfs/dbraw/zinc/21/01/91/1200210191.db2.gz KQENEHVRHDHRKU-HNNXBMFYSA-N 1 0 313.445 3.271 10 0 DGAERO COc1cccc([C@H](C[NH2+]CCCC(F)(F)F)N(C)C)c1 ZINC000130164014 1200852197 /nfs/dbraw/zinc/85/21/97/1200852197.db2.gz WMTYROMOUKXJMF-AWEZNQCLSA-N 1 0 304.356 3.230 10 0 DGAERO Cc1nc(CC[NH2+]Cc2cc(Cl)cc3c2OCC3)cs1 ZINC000228555584 1201075767 /nfs/dbraw/zinc/07/57/67/1201075767.db2.gz SCXJGUFKNBWPSS-UHFFFAOYSA-N 1 0 308.834 3.372 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000133975911 1201197457 /nfs/dbraw/zinc/19/74/57/1201197457.db2.gz AMKSIEBFWZDUIS-CYBMUJFWSA-N 1 0 315.369 3.154 10 0 DGAERO C[C@@H]([NH2+]Cc1c(Cl)cccc1S(C)(=O)=O)C1CCC1 ZINC000137704398 1202147291 /nfs/dbraw/zinc/14/72/91/1202147291.db2.gz NZTLFJVALWQANA-SNVBAGLBSA-N 1 0 301.839 3.022 10 0 DGAERO C[C@H](CNc1cccc(Br)n1)C[NH+]1CCCCC1 ZINC000229273950 1202517146 /nfs/dbraw/zinc/51/71/46/1202517146.db2.gz RBBFKXQMQRKXEP-GFCCVEGCSA-N 1 0 312.255 3.378 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CCCn1cccn1 ZINC000151368684 1202592235 /nfs/dbraw/zinc/59/22/35/1202592235.db2.gz OQBZEUMRNALMGT-UHFFFAOYSA-N 1 0 308.223 3.134 10 0 DGAERO Clc1cccc(C[NH2+]CCCO[C@@H]2CCOC2)c1Cl ZINC000152962120 1202595697 /nfs/dbraw/zinc/59/56/97/1202595697.db2.gz VLUNVGOPGFLVSR-GFCCVEGCSA-N 1 0 304.217 3.279 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000236750982 1202623194 /nfs/dbraw/zinc/62/31/94/1202623194.db2.gz OALPQCGHPCYGKW-UHFFFAOYSA-N 1 0 319.408 3.344 10 0 DGAERO c1nc(N2CCOCC2)sc1C[NH2+]CCCC1CCCC1 ZINC000236762153 1202624057 /nfs/dbraw/zinc/62/40/57/1202624057.db2.gz PVQKYBBRNGNYDY-UHFFFAOYSA-N 1 0 309.479 3.040 10 0 DGAERO CC(=O)CCCCCCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000163742950 1203588855 /nfs/dbraw/zinc/58/88/55/1203588855.db2.gz MHYGOWSWNKLESA-SFHVURJKSA-N 1 0 322.493 3.297 10 0 DGAERO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)Cc1ccsc1)c1ccccc1 ZINC000246127695 1203711454 /nfs/dbraw/zinc/71/14/54/1203711454.db2.gz DVRBWRMXJDXFTK-HUUCEWRRSA-N 1 0 316.470 3.488 10 0 DGAERO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000246880389 1203760658 /nfs/dbraw/zinc/76/06/58/1203760658.db2.gz WTDAKUSFCDMTDG-JHJVBQTASA-N 1 0 309.841 3.430 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000255067584 1203836525 /nfs/dbraw/zinc/83/65/25/1203836525.db2.gz CDWQFSUMJDDBKO-KGAUPUERSA-N 1 0 316.445 3.089 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000255390886 1203843888 /nfs/dbraw/zinc/84/38/88/1203843888.db2.gz RVUPUYGQNCMSTP-HNTBBJOVSA-N 1 0 324.424 3.462 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)N(C)[C@H](C)Cc2ccsc2)CC1 ZINC000175879651 1203922096 /nfs/dbraw/zinc/92/20/96/1203922096.db2.gz SLZMQFPITPZQKE-CQSZACIVSA-N 1 0 323.506 3.193 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000175968850 1203922361 /nfs/dbraw/zinc/92/23/61/1203922361.db2.gz CDWQFSUMJDDBKO-MDJJKAFGSA-N 1 0 316.445 3.089 10 0 DGAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000261608661 1204029333 /nfs/dbraw/zinc/02/93/33/1204029333.db2.gz AIQMCJBZJRLIJK-LSDHHAIUSA-N 1 0 316.445 3.207 10 0 DGAERO Nc1cccc(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1 ZINC000261737383 1204230161 /nfs/dbraw/zinc/23/01/61/1204230161.db2.gz UARXDQHPXXUJJT-UHFFFAOYSA-N 1 0 324.350 3.390 10 0 DGAERO Cc1ccccc1[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262488758 1204322494 /nfs/dbraw/zinc/32/24/94/1204322494.db2.gz HKTMUILJWNESNH-FUHIMQAGSA-N 1 0 312.457 3.091 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC000262584432 1204327830 /nfs/dbraw/zinc/32/78/30/1204327830.db2.gz ZNEVYZZWSUFKLP-SJORKVTESA-N 1 0 300.446 3.001 10 0 DGAERO O=C(Nc1cccc(Cl)n1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000183852717 1204348696 /nfs/dbraw/zinc/34/86/96/1204348696.db2.gz NZVFSYLKHIAPMT-CYBMUJFWSA-N 1 0 322.840 3.121 10 0 DGAERO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cs1 ZINC000116879026 1199815384 /nfs/dbraw/zinc/81/53/84/1199815384.db2.gz JHIDLDLDSLVTNI-SKDRFNHKSA-N 1 0 304.253 3.246 10 0 DGAERO CC[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)C1CCC1 ZINC000705891307 1081796937 /nfs/dbraw/zinc/79/69/37/1081796937.db2.gz XWMNIOYVRRLCQA-OAHLLOKOSA-N 1 0 314.470 3.038 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\c1ccc(C)cc1 ZINC000588400961 1082142305 /nfs/dbraw/zinc/14/23/05/1082142305.db2.gz XEIHMJCGPSHORY-BLTVVPKDSA-N 1 0 312.457 3.484 10 0 DGAERO Cc1ccc(-c2noc(CC[C@H](C)[NH3+])n2)cc1Br ZINC000235475045 1082192249 /nfs/dbraw/zinc/19/22/49/1082192249.db2.gz GVCNHSOPNQFVNG-VIFPVBQESA-N 1 0 310.195 3.087 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)CCN1Cc1ccccc1 ZINC000708393224 1082768071 /nfs/dbraw/zinc/76/80/71/1082768071.db2.gz RQCSSIGCDDMZBK-NEWSRXKRSA-N 1 0 316.489 3.444 10 0 DGAERO CC(C)OCCCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711456244 1085454763 /nfs/dbraw/zinc/45/47/63/1085454763.db2.gz NNBRBAWBTKJXCK-GASCZTMLSA-N 1 0 314.470 3.085 10 0 DGAERO Cc1n[nH]c(C)c1C[NH2+]CCc1sccc1Br ZINC000713105370 1085956896 /nfs/dbraw/zinc/95/68/96/1085956896.db2.gz QCIZJMMCYFUZKB-UHFFFAOYSA-N 1 0 314.252 3.183 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCCOC(F)(F)F ZINC000713400115 1086215174 /nfs/dbraw/zinc/21/51/74/1086215174.db2.gz NFOWSZFTZHWJQI-UHFFFAOYSA-N 1 0 318.383 3.413 10 0 DGAERO C[C@H](C[N@H+](C)Cc1cn(C)nc1Br)C(C)(C)C ZINC000713833341 1086607019 /nfs/dbraw/zinc/60/70/19/1086607019.db2.gz AVXWDQLRKCGXPI-SNVBAGLBSA-N 1 0 302.260 3.297 10 0 DGAERO CC(C)OC[C@H](O)C[NH2+][C@H](C)c1nc2ccccc2n1C(C)C ZINC000132494025 1087991294 /nfs/dbraw/zinc/99/12/94/1087991294.db2.gz IZQWJOBSSNNXSY-HUUCEWRRSA-N 1 0 319.449 3.054 10 0 DGAERO C[C@@H](C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000176584466 1088034897 /nfs/dbraw/zinc/03/48/97/1088034897.db2.gz BVFITLOCWBSCNZ-WBVHZDCISA-N 1 0 301.430 3.488 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000085365930 1091351880 /nfs/dbraw/zinc/35/18/80/1091351880.db2.gz FMNJUJKGXQAKJV-KBPBESRZSA-N 1 0 301.415 3.266 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000304281882 1093882450 /nfs/dbraw/zinc/88/24/50/1093882450.db2.gz HKCXCXGKZDMYCB-UHFFFAOYSA-N 1 0 318.230 3.477 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000401688545 1093965292 /nfs/dbraw/zinc/96/52/92/1093965292.db2.gz YXGIHJNYXIZMTE-OFQRWUPVSA-N 1 0 319.449 3.378 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCc2ccco2)CN(C(=O)OC(C)(C)C)C1 ZINC000401727756 1093968448 /nfs/dbraw/zinc/96/84/48/1093968448.db2.gz MTHHKFHJIBZMBW-KGLIPLIRSA-N 1 0 308.422 3.057 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H](C)NC(=O)OC(C)(C)C ZINC000403560628 1094142995 /nfs/dbraw/zinc/14/29/95/1094142995.db2.gz KYPHVSZMJIGAIF-YJBUHQLJSA-N 1 0 314.495 3.304 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2ccns2)CCN1C(=O)OC(C)(C)C ZINC000404460250 1094258674 /nfs/dbraw/zinc/25/86/74/1094258674.db2.gz SRAZBDKSGSYVRN-VXGBXAGGSA-N 1 0 311.451 3.021 10 0 DGAERO Cc1cnccc1C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404573342 1094261476 /nfs/dbraw/zinc/26/14/76/1094261476.db2.gz LOLRAXXJEVCRBH-UHFFFAOYSA-N 1 0 319.449 3.175 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000311648897 1094964054 /nfs/dbraw/zinc/96/40/54/1094964054.db2.gz BPZDFLGKRSTQNJ-RLLQIKCJSA-N 1 0 316.489 3.446 10 0 DGAERO COc1cccc2c1CC[C@H]([NH2+][C@H](c1nc(C)no1)C(C)C)C2 ZINC000192442577 1095051047 /nfs/dbraw/zinc/05/10/47/1095051047.db2.gz SFJNYMXYWPEIJQ-YOEHRIQHSA-N 1 0 315.417 3.231 10 0 DGAERO C[C@@H](F)CC[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720776406 1095778083 /nfs/dbraw/zinc/77/80/83/1095778083.db2.gz WBHGPDDDJDSGMT-ZBFHGGJFSA-N 1 0 308.397 3.125 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720866890 1096072147 /nfs/dbraw/zinc/07/21/47/1096072147.db2.gz TVOKQYZWRZOYDM-QYZOEREBSA-N 1 0 316.489 3.444 10 0 DGAERO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000234757895 1096265045 /nfs/dbraw/zinc/26/50/45/1096265045.db2.gz MGDWDNGYLLFYAG-ILXRZTDVSA-N 1 0 314.470 3.085 10 0 DGAERO O[C@H]1C[C@H](C[NH2+]C2CC(c3ccccc3Br)C2)C1 ZINC000720993850 1096336780 /nfs/dbraw/zinc/33/67/80/1096336780.db2.gz GWSCZCGWZIVOGS-RGEVVGMBSA-N 1 0 310.235 3.056 10 0 DGAERO CCO[C@@H]1CCC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)C1 ZINC000721193624 1096821226 /nfs/dbraw/zinc/82/12/26/1096821226.db2.gz JSIRKSKFRSVBKK-HUUCEWRRSA-N 1 0 314.470 3.181 10 0 DGAERO C#CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C1CCCCC1 ZINC000065960780 1097902928 /nfs/dbraw/zinc/90/29/28/1097902928.db2.gz HCYLCWHQGIIMAR-UHFFFAOYSA-N 1 0 318.848 3.224 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000721904720 1098155746 /nfs/dbraw/zinc/15/57/46/1098155746.db2.gz QPOSVKFJRMHSEG-HNNXBMFYSA-N 1 0 304.434 3.422 10 0 DGAERO CC1(C)C[C@@]1(C)C[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000717102720 1103823193 /nfs/dbraw/zinc/82/31/93/1103823193.db2.gz YPQZDHOSUCUECM-SFHVURJKSA-N 1 0 302.418 3.033 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000724056593 1106600193 /nfs/dbraw/zinc/60/01/93/1106600193.db2.gz FKEBILKLZXUHON-APPZFPTMSA-N 1 0 318.311 3.051 10 0 DGAERO CC(C)[C@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724096022 1106621955 /nfs/dbraw/zinc/62/19/55/1106621955.db2.gz FUFQBOUTQHOTCG-WDEREUQCSA-N 1 0 303.315 3.303 10 0 DGAERO CC(C)[C@@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724096019 1106622013 /nfs/dbraw/zinc/62/20/13/1106622013.db2.gz FUFQBOUTQHOTCG-GHMZBOCLSA-N 1 0 303.315 3.303 10 0 DGAERO CCC1(C)CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724111672 1106627910 /nfs/dbraw/zinc/62/79/10/1106627910.db2.gz VZTDIVUTUMMEQN-LLVKDONJSA-N 1 0 303.315 3.447 10 0 DGAERO N#Cc1ccnnc1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000384012421 1108233502 /nfs/dbraw/zinc/23/35/02/1108233502.db2.gz QARBCXIFFJOZNA-QGZVFWFLSA-N 1 0 321.428 3.062 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000392863224 1108934332 /nfs/dbraw/zinc/93/43/32/1108934332.db2.gz QNNAAUCVUVQXGL-CABCVRRESA-N 1 0 324.262 3.464 10 0 DGAERO C[C@@H]1CN(CCC[NH+]2CCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000163144566 197613232 /nfs/dbraw/zinc/61/32/32/197613232.db2.gz HYSQJYFWLXXNKP-CRAIPNDOSA-N 1 0 306.425 3.073 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181294635 199277817 /nfs/dbraw/zinc/27/78/17/199277817.db2.gz LAPKTUISLAOHIH-INIZCTEOSA-N 1 0 323.440 3.412 10 0 DGAERO CC[NH2+]Cc1sc(-c2ccc(OC)c(OC)c2)nc1CC ZINC000082424572 185180756 /nfs/dbraw/zinc/18/07/56/185180756.db2.gz BXBAIXDKUIFRRR-UHFFFAOYSA-N 1 0 306.431 3.499 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([C@H](C[NH3+])c2ccccc2)CC1 ZINC000082319027 185175822 /nfs/dbraw/zinc/17/58/22/185175822.db2.gz SEAQTUJDNFHLCL-MRXNPFEDSA-N 1 0 304.434 3.376 10 0 DGAERO [NH3+]CCc1csc(-c2cc(Br)ccc2F)n1 ZINC000083256320 185221515 /nfs/dbraw/zinc/22/15/15/185221515.db2.gz WTQNMWWPMKDKOM-UHFFFAOYSA-N 1 0 301.184 3.213 10 0 DGAERO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181303920 199279160 /nfs/dbraw/zinc/27/91/60/199279160.db2.gz NTTSIUBYTBVRGO-HNNXBMFYSA-N 1 0 311.429 3.268 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](CCc3ccncc3)C2)c1 ZINC000083403308 185222102 /nfs/dbraw/zinc/22/21/02/185222102.db2.gz GVRYAASYYSCEGS-MRXNPFEDSA-N 1 0 312.413 3.131 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000088785564 185265769 /nfs/dbraw/zinc/26/57/69/185265769.db2.gz WAPXFRVAHAVHQY-GDBMZVCRSA-N 1 0 319.424 3.075 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCCOC2CCOCC2)ccc1F ZINC000090082776 185281078 /nfs/dbraw/zinc/28/10/78/185281078.db2.gz VMWWSFDANQJLFE-ZDUSSCGKSA-N 1 0 311.397 3.071 10 0 DGAERO COc1cc([C@H](C)[NH2+]CC2(SC)CCOCC2)ccc1F ZINC000090112522 185282711 /nfs/dbraw/zinc/28/27/11/185282711.db2.gz XBVHOQCEBRJOBM-LBPRGKRZSA-N 1 0 313.438 3.397 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)s1 ZINC000090419463 185295311 /nfs/dbraw/zinc/29/53/11/185295311.db2.gz DUXJORVZBMMGJC-DOMZBBRYSA-N 1 0 321.490 3.283 10 0 DGAERO COCCC[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000092537477 185324452 /nfs/dbraw/zinc/32/44/52/185324452.db2.gz HPQTUELAMQOYOO-UHFFFAOYSA-N 1 0 300.402 3.129 10 0 DGAERO CC(=O)N(C)C1CC[NH+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000092538619 185325029 /nfs/dbraw/zinc/32/50/29/185325029.db2.gz HSBWTIFLNWSTIZ-UHFFFAOYSA-N 1 0 308.491 3.488 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1sccc1Br ZINC000092664892 185332377 /nfs/dbraw/zinc/33/23/77/185332377.db2.gz KEDKJNZZAWZUQL-LLVKDONJSA-N 1 0 317.296 3.427 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(Br)cs1 ZINC000092664895 185332665 /nfs/dbraw/zinc/33/26/65/185332665.db2.gz IPTCWDAJFRYSMS-GFCCVEGCSA-N 1 0 317.296 3.427 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccccc1Br ZINC000092664859 185332704 /nfs/dbraw/zinc/33/27/04/185332704.db2.gz VQLWOCKLWIXQAF-CQSZACIVSA-N 1 0 311.267 3.365 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(Br)cs1 ZINC000092664899 185332740 /nfs/dbraw/zinc/33/27/40/185332740.db2.gz IPTCWDAJFRYSMS-LBPRGKRZSA-N 1 0 317.296 3.427 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103297555 432006485 /nfs/dbraw/zinc/00/64/85/432006485.db2.gz MVXKVMNSPPNLDG-DLBZAZTESA-N 1 0 309.498 3.184 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cccnc1 ZINC000092767551 185339174 /nfs/dbraw/zinc/33/91/74/185339174.db2.gz YKGCEQOGQKODEI-TZMCWYRMSA-N 1 0 302.809 3.060 10 0 DGAERO c1csc(Cn2cccc2CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000092756200 185338092 /nfs/dbraw/zinc/33/80/92/185338092.db2.gz VKQRXGRVAMPYGF-QGZVFWFLSA-N 1 0 315.486 3.268 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)ccc1Cl ZINC000092757592 185338487 /nfs/dbraw/zinc/33/84/87/185338487.db2.gz KPOAOSVKFGEJDD-ZYHUDNBSSA-N 1 0 311.788 3.180 10 0 DGAERO CCOc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)ccc1OC ZINC000092810804 185342719 /nfs/dbraw/zinc/34/27/19/185342719.db2.gz ZFIZHGGKLPYCPF-UHFFFAOYSA-N 1 0 315.417 3.197 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)cn1 ZINC000092809314 185342977 /nfs/dbraw/zinc/34/29/77/185342977.db2.gz ITEMVCKKBBYADP-UHFFFAOYSA-N 1 0 315.465 3.303 10 0 DGAERO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccncc1 ZINC000181394208 199289973 /nfs/dbraw/zinc/28/99/73/199289973.db2.gz LMTJBIXRRGJTGW-NHYWBVRUSA-N 1 0 321.218 3.228 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(C)c1nccs1)c1cccc(Cl)c1 ZINC000181418345 199293515 /nfs/dbraw/zinc/29/35/15/199293515.db2.gz FIGLSPNWYFXMES-SNVBAGLBSA-N 1 0 309.822 3.110 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181588794 199322984 /nfs/dbraw/zinc/32/29/84/199322984.db2.gz PVCMGSMISJHECY-CYBMUJFWSA-N 1 0 322.424 3.180 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C/C=C/c2cccc(F)c2)C1 ZINC000157280853 529799105 /nfs/dbraw/zinc/79/91/05/529799105.db2.gz RPGHNZGOJRKOHX-AWHHDIADSA-N 1 0 316.420 3.172 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000181616368 199327687 /nfs/dbraw/zinc/32/76/87/199327687.db2.gz HLGDTBOBKRSJMV-PBHICJAKSA-N 1 0 302.418 3.284 10 0 DGAERO COC[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000103381318 432007875 /nfs/dbraw/zinc/00/78/75/432007875.db2.gz LTVPESMWGZMMRD-CABCVRRESA-N 1 0 304.434 3.140 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCCO1 ZINC000183110266 199538661 /nfs/dbraw/zinc/53/86/61/199538661.db2.gz DKELPFDQRMHHKN-WFASDCNBSA-N 1 0 308.447 3.117 10 0 DGAERO C[N@H+](C[C@@H](O)CC1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309804483 529941894 /nfs/dbraw/zinc/94/18/94/529941894.db2.gz TWNLMWPFONBCII-PMACEKPBSA-N 1 0 316.489 3.134 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103295927 185445115 /nfs/dbraw/zinc/44/51/15/185445115.db2.gz KSXUSMFKEJUPBZ-HNNXBMFYSA-N 1 0 303.450 3.087 10 0 DGAERO Cc1nn(-c2ccc([C@@H](C)[NH3+])cc2F)c(C)c1Br ZINC000050593455 190680450 /nfs/dbraw/zinc/68/04/50/190680450.db2.gz AXFDBXUAADCRCF-SSDOTTSWSA-N 1 0 312.186 3.410 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@@H](C)Cc1ccccc1OC ZINC000107345703 185477212 /nfs/dbraw/zinc/47/72/12/185477212.db2.gz QMNZDSBWDOOOAQ-HOTGVXAUSA-N 1 0 320.477 3.110 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc2cc(Cl)ccc2o1 ZINC000181936975 199365107 /nfs/dbraw/zinc/36/51/07/199365107.db2.gz GJEBJYNNNYEJJV-ZWNOBZJWSA-N 1 0 316.792 3.343 10 0 DGAERO CC[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CCc3sccc3C2)C1 ZINC000068593841 190776905 /nfs/dbraw/zinc/77/69/05/190776905.db2.gz NQCJLZMRLGFFGP-UKRRQHHQSA-N 1 0 306.475 3.191 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000183315851 199572926 /nfs/dbraw/zinc/57/29/26/199572926.db2.gz XIMGDPFAFJQLCU-RYGJVYDSSA-N 1 0 310.441 3.275 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451311113 535066160 /nfs/dbraw/zinc/06/61/60/535066160.db2.gz SECGWVREZPIVPW-KBPBESRZSA-N 1 0 319.367 3.126 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000130366255 432022012 /nfs/dbraw/zinc/02/20/12/432022012.db2.gz CDBYPTOUOKEMKG-ROUUACIJSA-N 1 0 302.462 3.273 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)CCN1Cc1ccccc1 ZINC000287063813 219293872 /nfs/dbraw/zinc/29/38/72/219293872.db2.gz NPLZGCCILINNPF-VBSBHUPXSA-N 1 0 316.489 3.323 10 0 DGAERO CCCN(Cc1nc(-c2ccco2)no1)C[C@@H]1CCCCO1 ZINC000106866666 432023494 /nfs/dbraw/zinc/02/34/94/432023494.db2.gz QJYIYRQKUBSTMD-ZDUSSCGKSA-N 1 0 305.378 3.111 10 0 DGAERO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)sc2cccc(F)c12 ZINC000170857764 197838878 /nfs/dbraw/zinc/83/88/78/197838878.db2.gz JASRDWDRSIUVED-NSHDSACASA-N 1 0 306.406 3.125 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000149222189 186048443 /nfs/dbraw/zinc/04/84/43/186048443.db2.gz QSGQTOHLUTYYGP-ZQIUZPCESA-N 1 0 307.459 3.401 10 0 DGAERO CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1nccs1 ZINC000130424844 432024612 /nfs/dbraw/zinc/02/46/12/432024612.db2.gz PZLGNLJQIRUPMI-KGLIPLIRSA-N 1 0 309.479 3.221 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1sccc1OC(F)F ZINC000152569205 186085760 /nfs/dbraw/zinc/08/57/60/186085760.db2.gz PJWYIKTUJKARDO-SNVBAGLBSA-N 1 0 320.405 3.056 10 0 DGAERO CCOc1cccc2cc([C@H](C)[NH2+]CCc3nc(C)no3)oc21 ZINC000181927170 186219767 /nfs/dbraw/zinc/21/97/67/186219767.db2.gz FKVYFSVCPSCASJ-NSHDSACASA-N 1 0 315.373 3.416 10 0 DGAERO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000183866996 186225568 /nfs/dbraw/zinc/22/55/68/186225568.db2.gz ASUWCSOJNLQKPC-GOEBONIOSA-N 1 0 309.413 3.166 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2csc(-c3ccoc3)n2)C1 ZINC000187988574 186239645 /nfs/dbraw/zinc/23/96/45/186239645.db2.gz PWZYUFXFJZGVFH-WBMJQRKESA-N 1 0 306.431 3.386 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000106912585 432025613 /nfs/dbraw/zinc/02/56/13/432025613.db2.gz WGRHKKPRVYFOJE-WOJBJXKFSA-N 1 0 322.452 3.175 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(-c2ccncc2)cc1 ZINC000237459266 186292781 /nfs/dbraw/zinc/29/27/81/186292781.db2.gz QNSMUASLCNIMNT-MORSLUCNSA-N 1 0 309.413 3.053 10 0 DGAERO CC(C)[N@@H+](Cc1cc(F)ccc1Br)C[C@@H](C)O ZINC000107043427 432026533 /nfs/dbraw/zinc/02/65/33/432026533.db2.gz WIXQKHQJHXJUEZ-SNVBAGLBSA-N 1 0 304.203 3.179 10 0 DGAERO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000172170660 198051418 /nfs/dbraw/zinc/05/14/18/198051418.db2.gz OGGOGVZQQQKXEE-QWHCGFSZSA-N 1 0 320.433 3.199 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c2ccccc2n1 ZINC000172418581 198095186 /nfs/dbraw/zinc/09/51/86/198095186.db2.gz NRRDXVNPTYQUAZ-INIZCTEOSA-N 1 0 321.428 3.047 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)o1 ZINC000172520855 198108951 /nfs/dbraw/zinc/10/89/51/198108951.db2.gz BLWSJJORXZAVKX-OAHLLOKOSA-N 1 0 319.449 3.309 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C(F)F)c2)[C@H](C)C1 ZINC000172608259 198122771 /nfs/dbraw/zinc/12/27/71/198122771.db2.gz WBLSFABNWPHNIY-IUODEOHRSA-N 1 0 310.388 3.427 10 0 DGAERO CCC[C@@H](C(=O)N[C@H](C)c1c(F)cccc1Cl)[NH+](C)C ZINC000130646060 432028009 /nfs/dbraw/zinc/02/80/09/432028009.db2.gz MSAUSNVTUHOJAQ-MFKMUULPSA-N 1 0 300.805 3.387 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)CSC(C)(C)C)c1ccco1 ZINC000072564204 191195646 /nfs/dbraw/zinc/19/56/46/191195646.db2.gz NRKYINMFCJCQRT-CYBMUJFWSA-N 1 0 312.479 3.310 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1cccs1 ZINC000172871744 198161338 /nfs/dbraw/zinc/16/13/38/198161338.db2.gz AQOHYMANBONVAH-NEPJUHHUSA-N 1 0 308.472 3.208 10 0 DGAERO Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000067442717 432030643 /nfs/dbraw/zinc/03/06/43/432030643.db2.gz QEVFDCPSAREPRO-UHFFFAOYSA-N 1 0 306.413 3.417 10 0 DGAERO Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000173398349 198210456 /nfs/dbraw/zinc/21/04/56/198210456.db2.gz JVAOWXSRVGUXCK-QGZVFWFLSA-N 1 0 312.417 3.274 10 0 DGAERO C[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1 ZINC000182056875 199379842 /nfs/dbraw/zinc/37/98/42/199379842.db2.gz KKNPPSKRGXCQKW-HNNXBMFYSA-N 1 0 317.454 3.059 10 0 DGAERO Cc1cccc([C@@H](C)[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000173671122 198238808 /nfs/dbraw/zinc/23/88/08/198238808.db2.gz RCUIRPONOVVNMC-SJLPKXTDSA-N 1 0 310.445 3.447 10 0 DGAERO Cc1cccc([C@@H](C)[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000173672528 198238988 /nfs/dbraw/zinc/23/89/88/198238988.db2.gz RBJSPOLWEYLKKR-MRXNPFEDSA-N 1 0 310.445 3.447 10 0 DGAERO CC[NH+](CC)CCS[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000174030263 198283505 /nfs/dbraw/zinc/28/35/05/198283505.db2.gz OODBIBYFDINZHW-HUUCEWRRSA-N 1 0 308.491 3.327 10 0 DGAERO C[NH2+]C/C=C(\c1ccc(Br)cc1)c1cccnc1 ZINC000001846247 180898358 /nfs/dbraw/zinc/89/83/58/180898358.db2.gz AZFZKANGXPSDEA-OVCLIPMQSA-N 1 0 303.203 3.495 10 0 in-vitro DGAERO CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174175533 198301452 /nfs/dbraw/zinc/30/14/52/198301452.db2.gz LCGACYYJSYCAFB-HIFRSBDPSA-N 1 0 305.422 3.032 10 0 DGAERO Cc1ccccc1SCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174245135 198309639 /nfs/dbraw/zinc/30/96/39/198309639.db2.gz IZVHCSGGFSEMOX-MQVJKMGUSA-N 1 0 318.486 3.219 10 0 DGAERO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000174184531 198302828 /nfs/dbraw/zinc/30/28/28/198302828.db2.gz MGUNBQDXZNONAZ-SJORKVTESA-N 1 0 301.434 3.474 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000174326148 198319930 /nfs/dbraw/zinc/31/99/30/198319930.db2.gz QAAFNXXZWDQCAV-UWVGGRQHSA-N 1 0 315.339 3.050 10 0 DGAERO CCS[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000107526112 432033284 /nfs/dbraw/zinc/03/32/84/432033284.db2.gz LLMMHEPQGRWLMJ-JKSUJKDBSA-N 1 0 312.523 3.241 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc2[nH]ccc2c1 ZINC000107564686 432033584 /nfs/dbraw/zinc/03/35/84/432033584.db2.gz ABZJLAOHDXDBLA-GOSISDBHSA-N 1 0 321.424 3.071 10 0 DGAERO CCCCS[C@H](C)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107529477 432033627 /nfs/dbraw/zinc/03/36/27/432033627.db2.gz QAOXRAFAEYFXCK-HZPDHXFCSA-N 1 0 312.523 3.385 10 0 DGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000236767862 202000123 /nfs/dbraw/zinc/00/01/23/202000123.db2.gz PGZFUFMKMFSYRF-PKOBYXMFSA-N 1 0 302.462 3.112 10 0 DGAERO CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236785743 202008043 /nfs/dbraw/zinc/00/80/43/202008043.db2.gz HGWMYHZOCYVHNZ-TVLITYMTSA-N 1 0 322.493 3.090 10 0 DGAERO O=C1CC[C@H]2[C@H]3Cc4cccc(O)c4[C@@]2(CC[N@@H+]3CC2CC2)C1 ZINC000004213629 181085283 /nfs/dbraw/zinc/08/52/83/181085283.db2.gz ORMBBVGVPWUEMQ-QKLQHJQFSA-N 1 0 311.425 3.040 10 0 in-man DGAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2ccoc21 ZINC000725242763 563525533 /nfs/dbraw/zinc/52/55/33/563525533.db2.gz RSYJSELJPBBFJA-CXAGYDPISA-N 1 0 308.422 3.190 10 0 DGAERO CC[C@H](CSC)[N@H+](C)Cc1cncc(Br)c1 ZINC000163668323 432038898 /nfs/dbraw/zinc/03/88/98/432038898.db2.gz OVNINMAUVNRXHF-GFCCVEGCSA-N 1 0 303.269 3.418 10 0 DGAERO Fc1cccc(N2CCCC2)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245575400 283016075 /nfs/dbraw/zinc/01/60/75/283016075.db2.gz ZZIQUOJSZGYXOY-INIZCTEOSA-N 1 0 317.452 3.096 10 0 DGAERO CCC[NH2+]CCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000236805376 202019259 /nfs/dbraw/zinc/01/92/59/202019259.db2.gz CUVCZWQSNVYGSP-NEPJUHHUSA-N 1 0 315.244 3.213 10 0 DGAERO Cc1nc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(C)s1 ZINC000179114599 432042879 /nfs/dbraw/zinc/04/28/79/432042879.db2.gz AMYNIUWMSVZOFI-AWEZNQCLSA-N 1 0 309.479 3.000 10 0 DGAERO CC[C@H](CSC)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000163868727 432042608 /nfs/dbraw/zinc/04/26/08/432042608.db2.gz IVHVBYWOILHITN-ZIAGYGMSSA-N 1 0 316.511 3.365 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000131953820 432043101 /nfs/dbraw/zinc/04/31/01/432043101.db2.gz WUZJWNOBJXLWGV-NXHRZFHOSA-N 1 0 321.509 3.471 10 0 DGAERO CC(C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000236811882 202022165 /nfs/dbraw/zinc/02/21/65/202022165.db2.gz IAXRPOUFGLRFSX-HNNXBMFYSA-N 1 0 304.390 3.040 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000073562615 191327628 /nfs/dbraw/zinc/32/76/28/191327628.db2.gz MZPLXJWHXWQNLI-MSOLQXFVSA-N 1 0 300.446 3.027 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccc(Cl)cc2)C1 ZINC000132192172 432046012 /nfs/dbraw/zinc/04/60/12/432046012.db2.gz UZRJAIUGQCGYGF-CJNGLKHVSA-N 1 0 323.868 3.210 10 0 DGAERO CCc1nc(-c2cccc(F)c2)nc(N2CCC([NH3+])CC2)c1C ZINC000073663121 191339139 /nfs/dbraw/zinc/33/91/39/191339139.db2.gz VACHLZVBNSPMSN-UHFFFAOYSA-N 1 0 314.408 3.081 10 0 DGAERO c1[nH]c2c(ncnc2NC[C@@H]2CCC[NH2+]C2)c1-c1ccccc1 ZINC000073737712 191351160 /nfs/dbraw/zinc/35/11/60/191351160.db2.gz ZJTYHYRILDGXAW-CYBMUJFWSA-N 1 0 307.401 3.036 10 0 DGAERO Cc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(Cl)cc1F ZINC000132281650 432047722 /nfs/dbraw/zinc/04/77/22/432047722.db2.gz NSQCJUHQYZIOHE-NSHDSACASA-N 1 0 314.832 3.494 10 0 DGAERO CN(C(=O)CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000179185281 432048938 /nfs/dbraw/zinc/04/89/38/432048938.db2.gz QVWYIVWFNMTIGP-ZDUSSCGKSA-N 1 0 314.351 3.314 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(C)c1 ZINC000132528163 432050659 /nfs/dbraw/zinc/05/06/59/432050659.db2.gz KVCIFPMUDKZKDW-LSDHHAIUSA-N 1 0 306.837 3.347 10 0 DGAERO Cc1nc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)s1 ZINC000179201304 432050023 /nfs/dbraw/zinc/05/00/23/432050023.db2.gz HPPBMBIPYXCJPA-BZNIZROVSA-N 1 0 309.479 3.000 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000164708220 432051458 /nfs/dbraw/zinc/05/14/58/432051458.db2.gz AVTFKRJOACOROF-DYVFJYSZSA-N 1 0 301.434 3.026 10 0 DGAERO CCCn1cc(CN2CCC[N@H+](Cc3cccs3)CC2)cn1 ZINC000179328783 432053607 /nfs/dbraw/zinc/05/36/07/432053607.db2.gz QOINAXAMSGLLKJ-UHFFFAOYSA-N 1 0 318.490 3.063 10 0 DGAERO Cc1ccc(C(C)(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000080715735 192184176 /nfs/dbraw/zinc/18/41/76/192184176.db2.gz RNOAPSIRXFOMDV-AYHJJNSGSA-N 1 0 314.473 3.404 10 0 DGAERO COc1cc(Cl)ccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080717895 192186046 /nfs/dbraw/zinc/18/60/46/192186046.db2.gz NIQBCXHYLCKVJA-AGUYFDCRSA-N 1 0 322.836 3.094 10 0 DGAERO CCCN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000236824701 202028335 /nfs/dbraw/zinc/02/83/35/202028335.db2.gz NJKRZQSIJLUTHJ-IRXDYDNUSA-N 1 0 320.864 3.434 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CCCO1 ZINC000179394448 432056894 /nfs/dbraw/zinc/05/68/94/432056894.db2.gz BZTIJSVNSBTLDY-AWEZNQCLSA-N 1 0 300.377 3.499 10 0 DGAERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3c(C)ccc(C)c31)CC2 ZINC000179425511 432057380 /nfs/dbraw/zinc/05/73/80/432057380.db2.gz GIFBCEDIMHAXHT-NVXWUHKLSA-N 1 0 310.445 3.185 10 0 DGAERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000165896578 432057501 /nfs/dbraw/zinc/05/75/01/432057501.db2.gz NZMHQLWQHXPUFI-MNOVXSKESA-N 1 0 323.234 3.104 10 0 DGAERO COc1cc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)ccc1F ZINC000179406995 432057616 /nfs/dbraw/zinc/05/76/16/432057616.db2.gz JZEXTHREJQOYPG-NSHDSACASA-N 1 0 307.340 3.317 10 0 DGAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000165896333 432057822 /nfs/dbraw/zinc/05/78/22/432057822.db2.gz NZMHQLWQHXPUFI-WDEREUQCSA-N 1 0 323.234 3.104 10 0 DGAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(Cl)c1Cl ZINC000165903805 432057913 /nfs/dbraw/zinc/05/79/13/432057913.db2.gz GANXFXMDJNAQFE-VIFPVBQESA-N 1 0 316.232 3.187 10 0 DGAERO CCN(CC)[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)c1ccco1 ZINC000236900984 202061606 /nfs/dbraw/zinc/06/16/06/202061606.db2.gz DDOHVZHLOFQKFK-QGZVFWFLSA-N 1 0 312.417 3.329 10 0 DGAERO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236927164 202075729 /nfs/dbraw/zinc/07/57/29/202075729.db2.gz QKWDZLLRTLVHKP-NWDGAFQWSA-N 1 0 315.244 3.469 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000236958323 202093824 /nfs/dbraw/zinc/09/38/24/202093824.db2.gz GUJNSZUXNGVTPV-FZKQIMNGSA-N 1 0 313.445 3.247 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CCC(=O)c1ccccc1 ZINC000237029796 202128157 /nfs/dbraw/zinc/12/81/57/202128157.db2.gz DJUVZEYQVYXPKX-UHFFFAOYSA-N 1 0 310.397 3.398 10 0 DGAERO CN(C(=O)c1cccc(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000237112974 202156820 /nfs/dbraw/zinc/15/68/20/202156820.db2.gz MGRNQJXDXQSOIX-UHFFFAOYSA-N 1 0 324.424 3.090 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 ZINC000237146574 202167847 /nfs/dbraw/zinc/16/78/47/202167847.db2.gz OGWPORUWMBOKIB-UHFFFAOYSA-N 1 0 324.424 3.090 10 0 DGAERO COc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1Cc1ccccc1 ZINC000237169198 202173898 /nfs/dbraw/zinc/17/38/98/202173898.db2.gz WJSVKHNOSRZPCT-RDJZCZTQSA-N 1 0 324.424 3.352 10 0 DGAERO COCCOc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179620048 432064615 /nfs/dbraw/zinc/06/46/15/432064615.db2.gz JDOQTFQTSSUQHJ-AWEZNQCLSA-N 1 0 317.351 3.486 10 0 DGAERO CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237214842 202191231 /nfs/dbraw/zinc/19/12/31/202191231.db2.gz LKKZFPXWERUHMZ-COXVUDFISA-N 1 0 312.413 3.312 10 0 DGAERO CN(C(=O)CCSc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237204491 202188724 /nfs/dbraw/zinc/18/87/24/202188724.db2.gz OVKYENVWMBRKOF-YIONKMFJSA-N 1 0 322.449 3.049 10 0 DGAERO C[NH2+]CCN(C)C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000237265691 202209531 /nfs/dbraw/zinc/20/95/31/202209531.db2.gz RAAPCGPXXRWAMA-UHFFFAOYSA-N 1 0 324.468 3.156 10 0 DGAERO O=C(CNC1(c2cccc(F)c2)CC1)Nc1cc(F)cc(F)c1 ZINC000179683667 432067231 /nfs/dbraw/zinc/06/72/31/432067231.db2.gz DSQYHWKVZZHQHV-UHFFFAOYSA-N 1 0 320.314 3.321 10 0 DGAERO CC(C)n1cccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179706086 432068229 /nfs/dbraw/zinc/06/82/29/432068229.db2.gz RZPHWQJFHXPAIF-SJLPKXTDSA-N 1 0 311.429 3.244 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1ccc2[nH]ccc2c1 ZINC000179812199 432070748 /nfs/dbraw/zinc/07/07/48/432070748.db2.gz CJJXITNUXAVZGR-HNNXBMFYSA-N 1 0 313.445 3.091 10 0 DGAERO Cc1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1Cl ZINC000169066574 432070974 /nfs/dbraw/zinc/07/09/74/432070974.db2.gz IZINVEVKYBCWPC-UHFFFAOYSA-N 1 0 306.837 3.349 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000133803715 432071064 /nfs/dbraw/zinc/07/10/64/432071064.db2.gz QRPTZJDTFISITB-HZPDHXFCSA-N 1 0 319.449 3.104 10 0 DGAERO c1cc([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)n[nH]1 ZINC000179854290 432072821 /nfs/dbraw/zinc/07/28/21/432072821.db2.gz KGVWDWLUVWXBRU-HNNXBMFYSA-N 1 0 307.401 3.179 10 0 DGAERO CCC[C@@H](C(=O)N1CC=C(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000179286653 199010329 /nfs/dbraw/zinc/01/03/29/199010329.db2.gz BEVACRIMQGBFFS-KRWDZBQOSA-N 1 0 304.409 3.172 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccccc1N(C)C ZINC000179400594 199029158 /nfs/dbraw/zinc/02/91/58/199029158.db2.gz RRZRYITXPNETRW-HNNXBMFYSA-N 1 0 321.428 3.184 10 0 DGAERO C[NH+](C)[C@H](CNc1ncc(C(F)(F)F)s1)c1ccco1 ZINC000276741452 213079446 /nfs/dbraw/zinc/07/94/46/213079446.db2.gz GNDUTYJVRAPWBG-MRVPVSSYSA-N 1 0 305.325 3.470 10 0 DGAERO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCOC1 ZINC000179454873 199038073 /nfs/dbraw/zinc/03/80/73/199038073.db2.gz YTQDBQSPFQOAAN-GXTWGEPZSA-N 1 0 304.365 3.038 10 0 DGAERO Cn1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000179772069 199079494 /nfs/dbraw/zinc/07/94/94/199079494.db2.gz AECJEDOUJUHRND-ROUUACIJSA-N 1 0 311.429 3.231 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(F)F)c1 ZINC000179818603 199084668 /nfs/dbraw/zinc/08/46/68/199084668.db2.gz BQRDPGYGOYHSDI-SMDDNHRTSA-N 1 0 309.360 3.325 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2c[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000179883941 199092033 /nfs/dbraw/zinc/09/20/33/199092033.db2.gz GSVWPSCOQUIMJC-QAPCUYQASA-N 1 0 312.461 3.239 10 0 DGAERO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000180156322 199124385 /nfs/dbraw/zinc/12/43/85/199124385.db2.gz OXBNBOQULUSZLN-NVXWUHKLSA-N 1 0 306.837 3.392 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cnn2ccccc12)c1ccccc1 ZINC000180241374 199135385 /nfs/dbraw/zinc/13/53/85/199135385.db2.gz JABIISAVDVVWJP-AZUAARDMSA-N 1 0 321.424 3.422 10 0 DGAERO C[N@H+](CCCCO)Cc1ccc(Br)cc1Cl ZINC000276667412 213033672 /nfs/dbraw/zinc/03/36/72/213033672.db2.gz OPYGKWMGQROJRZ-UHFFFAOYSA-N 1 0 306.631 3.307 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237288052 202218755 /nfs/dbraw/zinc/21/87/55/202218755.db2.gz OHNQBZVFXWLHQU-OLZOCXBDSA-N 1 0 322.424 3.037 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000180527719 199171401 /nfs/dbraw/zinc/17/14/01/199171401.db2.gz XABSWMJDLUWMIV-HIFRSBDPSA-N 1 0 314.433 3.076 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cn(C)nc1C(C)(C)C ZINC000180539852 199173237 /nfs/dbraw/zinc/17/32/37/199173237.db2.gz SZZXQTFLLKOFGU-UHFFFAOYSA-N 1 0 306.479 3.239 10 0 DGAERO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000180729763 199202473 /nfs/dbraw/zinc/20/24/73/199202473.db2.gz PWGCNQPZGOLZOA-LLVKDONJSA-N 1 0 321.845 3.343 10 0 DGAERO COc1ccc(-c2cnc(C[N@H+](C)[C@H](CO)C(C)(C)C)o2)cc1 ZINC000134415292 432077514 /nfs/dbraw/zinc/07/75/14/432077514.db2.gz XQGYGNNHRVKZNY-MRXNPFEDSA-N 1 0 318.417 3.189 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(F)cc2C)C12CCOCC2 ZINC000186379662 199951014 /nfs/dbraw/zinc/95/10/14/199951014.db2.gz KDVWBWRDPHHEPU-ZWKOTPCHSA-N 1 0 321.436 3.240 10 0 DGAERO O=C(c1nccc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812268 432082287 /nfs/dbraw/zinc/08/22/87/432082287.db2.gz BVCRYDGBXBSSHY-UHFFFAOYSA-N 1 0 323.440 3.183 10 0 DGAERO O=C(c1ccc2cc[nH]c2c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812425 432082378 /nfs/dbraw/zinc/08/23/78/432082378.db2.gz ZDSCOMDIDCSLCA-UHFFFAOYSA-N 1 0 311.429 3.116 10 0 DGAERO CCc1onc(C)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000089415691 192784294 /nfs/dbraw/zinc/78/42/94/192784294.db2.gz ZYQBFJJRNGOWBM-KGLIPLIRSA-N 1 0 320.437 3.024 10 0 DGAERO c1c(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032279 237020501 /nfs/dbraw/zinc/02/05/01/237020501.db2.gz AAQABOPCYMNSHJ-VQIMIIECSA-N 1 0 310.445 3.041 10 0 DGAERO CC[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1F ZINC000180307186 432083738 /nfs/dbraw/zinc/08/37/38/432083738.db2.gz YGJBLAUNNZLUCI-KRWDZBQOSA-N 1 0 300.377 3.296 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000186790230 200011459 /nfs/dbraw/zinc/01/14/59/200011459.db2.gz MFPVPJZKLOIROI-SWLSCSKDSA-N 1 0 308.853 3.023 10 0 DGAERO COc1ccc(C[C@H](C)C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1F ZINC000186830610 200018108 /nfs/dbraw/zinc/01/81/08/200018108.db2.gz BWOFJENXPNYWSY-UXLLHSPISA-N 1 0 322.468 3.427 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000186756438 200005288 /nfs/dbraw/zinc/00/52/88/200005288.db2.gz ZWHDZVVXBDZNQZ-ZBFHGGJFSA-N 1 0 318.486 3.206 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)s1 ZINC000089732860 192852906 /nfs/dbraw/zinc/85/29/06/192852906.db2.gz RJGGBEWAJMJHTD-KGLIPLIRSA-N 1 0 302.447 3.166 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]CCCN1CCCC1=O)CCS2 ZINC000186938956 200034767 /nfs/dbraw/zinc/03/47/67/200034767.db2.gz BRFICBQIXSHVOO-MRXNPFEDSA-N 1 0 318.486 3.442 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000186861086 200023154 /nfs/dbraw/zinc/02/31/54/200023154.db2.gz LLZONPCJBUMMIB-CQSZACIVSA-N 1 0 300.368 3.045 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC000187188526 200074677 /nfs/dbraw/zinc/07/46/77/200074677.db2.gz QGWRXCZSDTXQTG-FHWLQOOXSA-N 1 0 310.445 3.425 10 0 DGAERO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccco3)CCN2C2CC2)c1 ZINC000180379368 432084941 /nfs/dbraw/zinc/08/49/41/432084941.db2.gz VBDMJDIDPJNVBL-RTBURBONSA-N 1 0 312.413 3.356 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccnn1C)CCCS2 ZINC000187757635 200153262 /nfs/dbraw/zinc/15/32/62/200153262.db2.gz KRDQAWXFGHQHLK-OAHLLOKOSA-N 1 0 303.431 3.146 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)s1 ZINC000180401387 432085155 /nfs/dbraw/zinc/08/51/55/432085155.db2.gz RUGVLVMTECNZCG-MFKMUULPSA-N 1 0 301.415 3.228 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cc(-c3cccs3)on2)C1 ZINC000187938587 200179855 /nfs/dbraw/zinc/17/98/55/200179855.db2.gz WGDOPPNITDJERD-MLGOLLRUSA-N 1 0 306.431 3.386 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cc(-c3cccs3)on2)C1 ZINC000187938670 200179868 /nfs/dbraw/zinc/17/98/68/200179868.db2.gz WGDOPPNITDJERD-LRDDRELGSA-N 1 0 306.431 3.386 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)o2)[C@H](C)C1 ZINC000188075091 200189379 /nfs/dbraw/zinc/18/93/79/200189379.db2.gz ZHIFUHUIYRJCMR-YPMHNXCESA-N 1 0 315.255 3.204 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000188095758 200192813 /nfs/dbraw/zinc/19/28/13/200192813.db2.gz IMRWHOVTYWHNJA-ABAIWWIYSA-N 1 0 304.825 3.468 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1C ZINC000188326567 200228183 /nfs/dbraw/zinc/22/81/83/200228183.db2.gz ZVQAZIHCUQINJT-LRDDRELGSA-N 1 0 303.381 3.073 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)Cc1ccccc1F)CC2 ZINC000188342671 200230838 /nfs/dbraw/zinc/23/08/38/200230838.db2.gz CQIDVHUHOPNJLU-UKRRQHHQSA-N 1 0 316.424 3.076 10 0 DGAERO Cc1ccccc1SCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188666543 200283888 /nfs/dbraw/zinc/28/38/88/200283888.db2.gz CGUJCUADZCYERD-UHFFFAOYSA-N 1 0 312.438 3.007 10 0 DGAERO Cn1cccc1C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000237880516 202377911 /nfs/dbraw/zinc/37/79/11/202377911.db2.gz SPUSGCJNPOJEQZ-UHFFFAOYSA-N 1 0 300.402 3.270 10 0 DGAERO C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)CC1(CO)CC1 ZINC000188952865 200326808 /nfs/dbraw/zinc/32/68/08/200326808.db2.gz VHBXBRYYHPDKLY-UHFFFAOYSA-N 1 0 305.752 3.146 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccsc1 ZINC000189041922 200339829 /nfs/dbraw/zinc/33/98/29/200339829.db2.gz CXWOTOVYDXROHJ-BLLLJJGKSA-N 1 0 318.417 3.339 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)CC2 ZINC000189301693 200378304 /nfs/dbraw/zinc/37/83/04/200378304.db2.gz IWTZBVQGEBZRHV-ZDUSSCGKSA-N 1 0 322.815 3.299 10 0 DGAERO CN(C)C(=O)C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000189566794 200423323 /nfs/dbraw/zinc/42/33/23/200423323.db2.gz PKHSZARXLUJEDM-UHFFFAOYSA-N 1 0 318.461 3.036 10 0 DGAERO COC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000170962704 432088890 /nfs/dbraw/zinc/08/88/90/432088890.db2.gz NLHSJRYEGCTPAI-AWEZNQCLSA-N 1 0 304.434 3.425 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)CC2 ZINC000180534122 432089331 /nfs/dbraw/zinc/08/93/31/432089331.db2.gz UESZSGWDMWJTRP-WMZOPIPTSA-N 1 0 310.445 3.457 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1c(F)cccc1F ZINC000134938041 432090323 /nfs/dbraw/zinc/09/03/23/432090323.db2.gz LXEXMBZHGGDFGT-ZIAGYGMSSA-N 1 0 324.415 3.305 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000246074029 432090687 /nfs/dbraw/zinc/09/06/87/432090687.db2.gz FTMRUUGZQPZXSA-STQMWFEESA-N 1 0 317.408 3.157 10 0 DGAERO c1csc([C@@H]([NH2+][C@H]2CCc3ncnn3C2)C2CCCC2)c1 ZINC000180579982 432090757 /nfs/dbraw/zinc/09/07/57/432090757.db2.gz QQDSRCPYYNUKQF-BBRMVZONSA-N 1 0 302.447 3.176 10 0 DGAERO c1ccc(CSCC[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000430759888 238085768 /nfs/dbraw/zinc/08/57/68/238085768.db2.gz ZQEVOOYFDRBJKS-UHFFFAOYSA-N 1 0 313.470 3.420 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C)c2C)[C@@H](C)C1 ZINC000246072449 432091730 /nfs/dbraw/zinc/09/17/30/432091730.db2.gz SHRRUJPTXWWMBK-YOEHRIQHSA-N 1 0 303.450 3.497 10 0 DGAERO Cc1cc(Cl)c(C(=O)N2CCN3CCCC[C@H]3C2)cc1C ZINC000180596916 432091815 /nfs/dbraw/zinc/09/18/15/432091815.db2.gz SAEYMXJTMBLZIN-AWEZNQCLSA-N 1 0 306.837 3.267 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000246074017 432091977 /nfs/dbraw/zinc/09/19/77/432091977.db2.gz FTMRUUGZQPZXSA-OLZOCXBDSA-N 1 0 317.408 3.157 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(F)cccc2F)[C@@H](C)C1 ZINC000246088362 432092712 /nfs/dbraw/zinc/09/27/12/432092712.db2.gz UWNGYDRIWWGUNF-SMDDNHRTSA-N 1 0 311.376 3.159 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3coc4ccccc34)[C@H]2C1 ZINC000246083046 432092767 /nfs/dbraw/zinc/09/27/67/432092767.db2.gz IASSYSOZXYGVMX-UWWQBHOKSA-N 1 0 301.386 3.201 10 0 DGAERO O=C(C[N+]1=C2SCCN2C[C@H]1c1ccccc1)c1ccccc1 ZINC000006116293 181313317 /nfs/dbraw/zinc/31/33/17/181313317.db2.gz OLQCVOAQCJAAMJ-KRWDZBQOSA-N 1 0 323.441 3.042 10 0 DGAERO OCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CCc2ccccc21 ZINC000435123284 238275939 /nfs/dbraw/zinc/27/59/39/238275939.db2.gz GEFQQRHRFJKCCF-GOSISDBHSA-N 1 0 323.396 3.152 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3ccccc3n1)CC2 ZINC000180617864 432093312 /nfs/dbraw/zinc/09/33/12/432093312.db2.gz RUKGORWGMVCVTO-UKRRQHHQSA-N 1 0 321.428 3.054 10 0 DGAERO CC(C)COC1CC[NH+]([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000054322334 283612709 /nfs/dbraw/zinc/61/27/09/283612709.db2.gz XCMZQTACOCTFDC-INIZCTEOSA-N 1 0 324.509 3.208 10 0 DGAERO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc3ccccc32)CCS1 ZINC000246101055 432094424 /nfs/dbraw/zinc/09/44/24/432094424.db2.gz HZDLHVVGOGTFJV-GOEBONIOSA-N 1 0 317.454 3.017 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)o1 ZINC000180647140 432094758 /nfs/dbraw/zinc/09/47/58/432094758.db2.gz CNCWHFLXBWYHBM-STQMWFEESA-N 1 0 302.422 3.223 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)C[C@@H]1C ZINC000134999193 432095272 /nfs/dbraw/zinc/09/52/72/432095272.db2.gz PWMASGPCPVIDQA-LISAXSMJSA-N 1 0 313.482 3.131 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)CC2 ZINC000180650468 432095411 /nfs/dbraw/zinc/09/54/11/432095411.db2.gz HHMUCMOBFSARED-ABAIWWIYSA-N 1 0 320.387 3.345 10 0 DGAERO COC(=O)C1(C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000192752059 200935282 /nfs/dbraw/zinc/93/52/82/200935282.db2.gz VKKWPQHNJJMCSI-NEPJUHHUSA-N 1 0 318.442 3.331 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180645759 432095802 /nfs/dbraw/zinc/09/58/02/432095802.db2.gz NDZGOUVUDZLNNC-OLZOCXBDSA-N 1 0 304.463 3.437 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000193193565 201006317 /nfs/dbraw/zinc/00/63/17/201006317.db2.gz FKKUTBHGNDMYIE-ACJLOTCBSA-N 1 0 300.377 3.159 10 0 DGAERO COc1ccc([C@@H]2CCCCCN2C(=O)CC[C@@H](C)[NH3+])cc1 ZINC000193183110 201003693 /nfs/dbraw/zinc/00/36/93/201003693.db2.gz VIAGOVDJKFQWDQ-PBHICJAKSA-N 1 0 304.434 3.266 10 0 DGAERO CCOc1ccc(-c2csc(NC(=O)CC[C@H](C)[NH3+])n2)cc1 ZINC000193191145 201004668 /nfs/dbraw/zinc/00/46/68/201004668.db2.gz JFSAHWRRJWHQOE-NSHDSACASA-N 1 0 319.430 3.275 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)NC(=O)CC[C@H](C)[NH3+])cc1 ZINC000193228931 201009804 /nfs/dbraw/zinc/00/98/04/201009804.db2.gz RVWUJNPMDFVJCP-LSDHHAIUSA-N 1 0 306.450 3.416 10 0 DGAERO CCC[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1C)[NH+](C)C ZINC000189837101 432096131 /nfs/dbraw/zinc/09/61/31/432096131.db2.gz IJLDSRCZBJATKN-CQSZACIVSA-N 1 0 316.367 3.360 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cc(C)ccc2C)o1 ZINC000193601377 201084654 /nfs/dbraw/zinc/08/46/54/201084654.db2.gz XMBSXRXUTCGBLI-HZPDHXFCSA-N 1 0 303.402 3.295 10 0 DGAERO CC[N@@H+]1CC[C@H](Nc2ccc3c(c2)CCCC(=O)N3)[C@@H](C)C1 ZINC000246121110 432097176 /nfs/dbraw/zinc/09/71/76/432097176.db2.gz PTCHMXQPIBWJRB-BBRMVZONSA-N 1 0 301.434 3.104 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+]CC[C@@H](C)c1ccccc1)CC2 ZINC000194338486 201205675 /nfs/dbraw/zinc/20/56/75/201205675.db2.gz MAFXACSYNAAAMX-NVXWUHKLSA-N 1 0 312.461 3.500 10 0 DGAERO Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CC(=O)N(C)CC2CC2)cc1 ZINC000441337054 239036688 /nfs/dbraw/zinc/03/66/88/239036688.db2.gz CJQOXRFVEQCTHH-MOPGFXCFSA-N 1 0 314.473 3.431 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)nc1C ZINC000194565984 201253476 /nfs/dbraw/zinc/25/34/76/201253476.db2.gz MOQKKHXMXADLBO-QWHCGFSZSA-N 1 0 322.840 3.134 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000171075426 432099510 /nfs/dbraw/zinc/09/95/10/432099510.db2.gz QPAWYCZMNIBZES-HNNXBMFYSA-N 1 0 317.433 3.176 10 0 DGAERO CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@]1(CCO)CCOC1 ZINC000180776090 432100039 /nfs/dbraw/zinc/10/00/39/432100039.db2.gz IMALZCIPESKWRU-MSOLQXFVSA-N 1 0 323.502 3.182 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000195520247 201398531 /nfs/dbraw/zinc/39/85/31/201398531.db2.gz IQBXZSUMBPJQHU-KRWDZBQOSA-N 1 0 321.428 3.226 10 0 DGAERO Cc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1C(F)(F)F ZINC000171073972 432100194 /nfs/dbraw/zinc/10/01/94/432100194.db2.gz ACDHIDFUVMVDFK-LBPRGKRZSA-N 1 0 315.339 3.182 10 0 DGAERO CC[C@H](C)CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189883081 432100355 /nfs/dbraw/zinc/10/03/55/432100355.db2.gz DBNPIMOYFDBUSS-UXEPBGEESA-N 1 0 310.388 3.262 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)N1CCCC12CCC2)c1ccsc1 ZINC000444848609 239363567 /nfs/dbraw/zinc/36/35/67/239363567.db2.gz LGWNQXAJJIPHAP-CQSZACIVSA-N 1 0 307.463 3.079 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCCC23CCC3)C1 ZINC000444849264 239364266 /nfs/dbraw/zinc/36/42/66/239364266.db2.gz OGVWWXZKWXKEHJ-HZPDHXFCSA-N 1 0 307.482 3.083 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000171078629 432100566 /nfs/dbraw/zinc/10/05/66/432100566.db2.gz CRHPPEWPQZIXQL-CQSZACIVSA-N 1 0 317.433 3.176 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000246258406 202576571 /nfs/dbraw/zinc/57/65/71/202576571.db2.gz KPQROIDXCYSKTO-BMFZPTHFSA-N 1 0 306.837 3.425 10 0 DGAERO c1csc([C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CCO2)c1 ZINC000268528996 432101440 /nfs/dbraw/zinc/10/14/40/432101440.db2.gz YKGZHUDNGXSNRU-KRWDZBQOSA-N 1 0 315.438 3.299 10 0 DGAERO Cn1cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000246166425 432101634 /nfs/dbraw/zinc/10/16/34/432101634.db2.gz DZXBGIXVRPODSR-RTBURBONSA-N 1 0 313.445 3.288 10 0 DGAERO CSc1ccc(Cl)cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171082163 432101901 /nfs/dbraw/zinc/10/19/01/432101901.db2.gz JXDPZVBZCGRBGR-LLVKDONJSA-N 1 0 313.854 3.230 10 0 DGAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1sccc1C ZINC000275505302 212379551 /nfs/dbraw/zinc/37/95/51/212379551.db2.gz JYNJHPMRXSVVAD-XJKSGUPXSA-N 1 0 305.447 3.140 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000275498109 212373539 /nfs/dbraw/zinc/37/35/39/212373539.db2.gz JJVWTJCTSZGDAE-XHWIFQCKSA-N 1 0 311.429 3.191 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000073952873 283785918 /nfs/dbraw/zinc/78/59/18/283785918.db2.gz QSKMKRXADZMVDS-UHFFFAOYSA-N 1 0 321.509 3.474 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC/C=C/c2ccccc2)CC1 ZINC000074202616 283792096 /nfs/dbraw/zinc/79/20/96/283792096.db2.gz ZNRJDJLVGNBMKH-RMKNXTFCSA-N 1 0 315.461 3.121 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000449077879 240006911 /nfs/dbraw/zinc/00/69/11/240006911.db2.gz ZOWVDUZQVNPWHI-INIZCTEOSA-N 1 0 321.467 3.393 10 0 DGAERO C[C@H](C[NH2+]C[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000449172904 240050437 /nfs/dbraw/zinc/05/04/37/240050437.db2.gz NAXRBJGZJYQJPF-CJNGLKHVSA-N 1 0 305.368 3.434 10 0 DGAERO OCCC1([NH2+]Cc2cccc(Br)c2F)CCCC1 ZINC000449314520 240126716 /nfs/dbraw/zinc/12/67/16/240126716.db2.gz CUJAMPFNIDRNIL-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO C[C@@H](C[N@H+](C)C[C@H]1CC=CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239394 240086668 /nfs/dbraw/zinc/08/66/68/240086668.db2.gz JJCNEROKIYDDMC-HOTGVXAUSA-N 1 0 321.486 3.482 10 0 DGAERO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(C)cs1 ZINC000246183070 432104709 /nfs/dbraw/zinc/10/47/09/432104709.db2.gz LWUJJUKOHSGZMW-MJBXVCDLSA-N 1 0 324.494 3.027 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1cccs1 ZINC000171111150 432104729 /nfs/dbraw/zinc/10/47/29/432104729.db2.gz BHPQUQWXTCXQTK-QWHCGFSZSA-N 1 0 300.427 3.377 10 0 DGAERO CCC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)C1CCCC1 ZINC000449260833 240096416 /nfs/dbraw/zinc/09/64/16/240096416.db2.gz YTCANBNDPJKOLV-GOSISDBHSA-N 1 0 317.477 3.367 10 0 DGAERO c1cc(-c2n[nH]cc2C[NH2+]CCCC2CCOCC2)cs1 ZINC000449354832 240151857 /nfs/dbraw/zinc/15/18/57/240151857.db2.gz RWAKVJCGKGJESH-UHFFFAOYSA-N 1 0 305.447 3.435 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CSC[C@H]2C)sc1Br ZINC000449403201 240179702 /nfs/dbraw/zinc/17/97/02/240179702.db2.gz VHEBXKCRILRCNP-HTRCEHHLSA-N 1 0 307.282 3.055 10 0 DGAERO CCN(CC)[C@H](C[NH2+]Cc1cncnc1)c1ccccc1Cl ZINC000171126689 432104918 /nfs/dbraw/zinc/10/49/18/432104918.db2.gz KXVVOWIHAMUVRI-QGZVFWFLSA-N 1 0 318.852 3.303 10 0 DGAERO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2ccsc2)c(OC)c1 ZINC000449466768 240224525 /nfs/dbraw/zinc/22/45/25/240224525.db2.gz ILWDZOUVUHFUCS-GFCCVEGCSA-N 1 0 321.442 3.495 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c(OC)c1 ZINC000449467952 240226428 /nfs/dbraw/zinc/22/64/28/240226428.db2.gz NQXUHWWQVCGRNX-IHRRRGAJSA-N 1 0 307.434 3.422 10 0 DGAERO COc1ccc(OC)c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000449471982 240229255 /nfs/dbraw/zinc/22/92/55/240229255.db2.gz DSDIKTKNMUQAOY-CQSZACIVSA-N 1 0 305.418 3.143 10 0 DGAERO CO[C@@](C)(C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000449482310 240234687 /nfs/dbraw/zinc/23/46/87/240234687.db2.gz BKGVXHQCMTTWKQ-SFHVURJKSA-N 1 0 311.385 3.321 10 0 DGAERO CCO[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000449490549 240240945 /nfs/dbraw/zinc/24/09/45/240240945.db2.gz CHFQAGXGFINPJA-CXAGYDPISA-N 1 0 300.402 3.187 10 0 DGAERO C[C@@H]([N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1)C1(C)CC1 ZINC000246193520 432105244 /nfs/dbraw/zinc/10/52/44/432105244.db2.gz VXLOUHHBRZCDNS-CZUORRHYSA-N 1 0 311.853 3.338 10 0 DGAERO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)C(C)C ZINC000449509530 240256057 /nfs/dbraw/zinc/25/60/57/240256057.db2.gz JEBLTNNHSFHGMA-RHSMWYFYSA-N 1 0 305.422 3.048 10 0 DGAERO Fc1ccc(CC2([NH2+]Cc3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000449565229 240294353 /nfs/dbraw/zinc/29/43/53/240294353.db2.gz ILHFPNFQEHKBCR-UHFFFAOYSA-N 1 0 322.387 3.271 10 0 DGAERO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NCC(F)(F)F ZINC000171127781 432105672 /nfs/dbraw/zinc/10/56/72/432105672.db2.gz UHMKHAWPLIIJCA-CYBMUJFWSA-N 1 0 320.742 3.059 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000449695464 240374672 /nfs/dbraw/zinc/37/46/72/240374672.db2.gz FDBBSFYDPMLLLK-KSSFIOAISA-N 1 0 311.429 3.162 10 0 DGAERO c1nc(C2CC2)oc1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000449699143 240376005 /nfs/dbraw/zinc/37/60/05/240376005.db2.gz PZGBAKWFZGXPNO-KRWDZBQOSA-N 1 0 311.429 3.306 10 0 DGAERO CCC(CC)(CO)[NH2+]Cc1ccc(Br)cc1OC ZINC000180941844 432106112 /nfs/dbraw/zinc/10/61/12/432106112.db2.gz TVAFHEAQJVQACH-UHFFFAOYSA-N 1 0 316.239 3.098 10 0 DGAERO C[C@H]([NH2+]CCCCC(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000091320298 193037748 /nfs/dbraw/zinc/03/77/48/193037748.db2.gz ABVXMTQHRVIUHJ-ZDUSSCGKSA-N 1 0 312.479 3.201 10 0 DGAERO CC(C)[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000091374843 193047682 /nfs/dbraw/zinc/04/76/82/193047682.db2.gz ZMPONICRQHWZOO-PKOBYXMFSA-N 1 0 310.445 3.432 10 0 DGAERO C[C@@H]([NH2+]CC(C)(C)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091404495 193052589 /nfs/dbraw/zinc/05/25/89/193052589.db2.gz XLCXUJLXQZVNCM-CYBMUJFWSA-N 1 0 324.490 3.201 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(F)c(Cl)cc1Cl ZINC000091666979 193088472 /nfs/dbraw/zinc/08/84/72/193088472.db2.gz QNNWFXJDDNBSDV-UWVGGRQHSA-N 1 0 321.223 3.114 10 0 DGAERO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cnccn1 ZINC000091739247 193100509 /nfs/dbraw/zinc/10/05/09/193100509.db2.gz AOFJFQHDSNXEMQ-GFCCVEGCSA-N 1 0 312.348 3.164 10 0 DGAERO c1ccc(OC2CC2)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000450605285 240785690 /nfs/dbraw/zinc/78/56/90/240785690.db2.gz ZDHIINHAFAYCRC-DOTOQJQBSA-N 1 0 301.430 3.476 10 0 DGAERO CCOc1ccc(C2=CC[N@H+](CCC(=O)NC(C)C)CC2)cc1 ZINC000091813449 193111132 /nfs/dbraw/zinc/11/11/32/193111132.db2.gz KTIJRKDJFHUSCP-UHFFFAOYSA-N 1 0 316.445 3.089 10 0 DGAERO C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1n1ccnc1 ZINC000091961206 193133265 /nfs/dbraw/zinc/13/32/65/193133265.db2.gz HWWRGSNFNQNUMK-KXBFYZLASA-N 1 0 321.428 3.356 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000091985219 193135787 /nfs/dbraw/zinc/13/57/87/193135787.db2.gz JHCALPSTJNJVHG-CYBMUJFWSA-N 1 0 316.376 3.129 10 0 DGAERO Cc1csc2c1ncnc2N1CCC([NH+]2CCCC2)CC1 ZINC000189974359 432108488 /nfs/dbraw/zinc/10/84/88/432108488.db2.gz QPACMMWJNJNYDF-UHFFFAOYSA-N 1 0 302.447 3.064 10 0 DGAERO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1noc(-c2ccccc2)n1)C(C)C ZINC000451612355 241187651 /nfs/dbraw/zinc/18/76/51/241187651.db2.gz MINMXTDVPGUOLV-RDJZCZTQSA-N 1 0 317.433 3.115 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCC12CCCC2)COc1ccccc1Cl ZINC000451465340 241132511 /nfs/dbraw/zinc/13/25/11/241132511.db2.gz GMKPZDKNBWCYFT-XJKSGUPXSA-N 1 0 309.837 3.392 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000451895896 241268566 /nfs/dbraw/zinc/26/85/66/241268566.db2.gz FQMONGOIXODRFV-IBGZPJMESA-N 1 0 303.446 3.138 10 0 DGAERO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)[C@@H]1C=CCCC1 ZINC000246221328 432108953 /nfs/dbraw/zinc/10/89/53/432108953.db2.gz DNHVJCUFYITLBL-HZPDHXFCSA-N 1 0 306.475 3.162 10 0 DGAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000275330877 212274151 /nfs/dbraw/zinc/27/41/51/212274151.db2.gz QKGQPKQXVPSMJB-NVXWUHKLSA-N 1 0 316.449 3.163 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](Cc2ccccc2)C(C)C)C1 ZINC000246227713 432109113 /nfs/dbraw/zinc/10/91/13/432109113.db2.gz RVUFNLMVYMGRHO-ZWKOTPCHSA-N 1 0 302.462 3.102 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000171177853 432109733 /nfs/dbraw/zinc/10/97/33/432109733.db2.gz BTHWFJTYXYOTBK-HUUCEWRRSA-N 1 0 319.449 3.390 10 0 DGAERO Cc1ccc(-c2nc(C[NH2+]CC3(CCO)CC3)cs2)cc1 ZINC000189994143 432109781 /nfs/dbraw/zinc/10/97/81/432109781.db2.gz VWACOHOCNHKCAJ-UHFFFAOYSA-N 1 0 302.443 3.371 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000249094085 202785632 /nfs/dbraw/zinc/78/56/32/202785632.db2.gz FEUPGKSCSUSYKD-KFWWJZLASA-N 1 0 301.352 3.301 10 0 DGAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000453363217 241742735 /nfs/dbraw/zinc/74/27/35/241742735.db2.gz KZPWSUWQYWBFEY-QXCFHYIPSA-N 1 0 303.446 3.295 10 0 DGAERO O=C(N[C@@H]1CCC12CCCC2)NC1CC[NH+](C2CCC2)CC1 ZINC000454853709 242047582 /nfs/dbraw/zinc/04/75/82/242047582.db2.gz GBFZZXHPHPNOEF-MRXNPFEDSA-N 1 0 305.466 3.025 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2nc(C)ccc2c1 ZINC000246246623 432112095 /nfs/dbraw/zinc/11/20/95/432112095.db2.gz DUJLCVIBBIUHBK-MSOLQXFVSA-N 1 0 323.440 3.242 10 0 DGAERO CCC(=O)c1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246253997 432112203 /nfs/dbraw/zinc/11/22/03/432112203.db2.gz JLXSMZCQQFHPJI-CJNGLKHVSA-N 1 0 317.433 3.130 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3ccccc3c2O)C1 ZINC000246255185 432112407 /nfs/dbraw/zinc/11/24/07/432112407.db2.gz KGQNYBHJPIOJFX-YJBOKZPZSA-N 1 0 324.424 3.102 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCCCC1 ZINC000181062171 432112629 /nfs/dbraw/zinc/11/26/29/432112629.db2.gz VPDJQEOATPDALW-INIZCTEOSA-N 1 0 303.450 3.093 10 0 DGAERO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000262361240 296101652 /nfs/dbraw/zinc/10/16/52/296101652.db2.gz IPCAOYSYTFHMRQ-KTUDNPGNSA-N 1 0 304.478 3.096 10 0 DGAERO CC(C)c1ccc(/C=C\CC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000456159688 242363697 /nfs/dbraw/zinc/36/36/97/242363697.db2.gz FVQIZORSTWTIHM-WFRZBGSESA-N 1 0 312.457 3.376 10 0 DGAERO c1[nH]c([C@H]2CCC[N@@H+](C[C@H]3CCCO3)C2)nc1-c1ccccc1 ZINC000246285521 432114349 /nfs/dbraw/zinc/11/43/49/432114349.db2.gz AIFWDMCNLYRDQE-DLBZAZTESA-N 1 0 311.429 3.435 10 0 DGAERO C/C(=C\c1ccccc1)C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000092079492 193155457 /nfs/dbraw/zinc/15/54/57/193155457.db2.gz JQRFJSGCLQOLJF-UMADGWCESA-N 1 0 314.473 3.275 10 0 DGAERO CCCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1 ZINC000092096808 193156611 /nfs/dbraw/zinc/15/66/11/193156611.db2.gz JLBPFXMOQYXMDQ-NZSAHSFTSA-N 1 0 319.445 3.244 10 0 DGAERO Cn1cc(C[N@H+](C)CCc2ccc(F)cc2)c(-c2cccnc2)n1 ZINC000092150139 193168313 /nfs/dbraw/zinc/16/83/13/193168313.db2.gz XBEMSGJTGKXBAL-UHFFFAOYSA-N 1 0 324.403 3.296 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)C1CCCCC1 ZINC000090938760 283996113 /nfs/dbraw/zinc/99/61/13/283996113.db2.gz HIEFAEVQSGASMQ-GJZGRUSLSA-N 1 0 313.445 3.343 10 0 DGAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000263275958 291406212 /nfs/dbraw/zinc/40/62/12/291406212.db2.gz SVKQWLYAHWPNLK-COMQUAJESA-N 1 0 320.399 3.379 10 0 DGAERO Cc1cc(C)c(C(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000090690792 283995089 /nfs/dbraw/zinc/99/50/89/283995089.db2.gz RLNYOPBLIFYMES-UHFFFAOYSA-N 1 0 302.462 3.462 10 0 DGAERO CCOC(=O)c1ccc(C[N@H+](C)CCc2ccc(F)cc2)o1 ZINC000092162166 193169180 /nfs/dbraw/zinc/16/91/80/193169180.db2.gz TXCYHOLCJQKXCQ-UHFFFAOYSA-N 1 0 305.349 3.270 10 0 DGAERO CCC[C@@H](C(=O)Nc1cccc(Br)c1C)[NH+](C)C ZINC000094091601 284016050 /nfs/dbraw/zinc/01/60/50/284016050.db2.gz IXEWQJWDHWWEEF-ZDUSSCGKSA-N 1 0 313.239 3.426 10 0 DGAERO CC(C)Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccco2)cc1 ZINC000102685516 284023107 /nfs/dbraw/zinc/02/31/07/284023107.db2.gz PQHWKGBUUXFMMK-HNNXBMFYSA-N 1 0 314.429 3.445 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1F ZINC000102699262 284023410 /nfs/dbraw/zinc/02/34/10/284023410.db2.gz CPJVEYAERWRWCU-HEHGZKQESA-N 1 0 322.424 3.180 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@H]2CCCC[C@@H]2C)cc1F ZINC000102699257 284023760 /nfs/dbraw/zinc/02/37/60/284023760.db2.gz CPJVEYAERWRWCU-XEZPLFJOSA-N 1 0 322.424 3.180 10 0 DGAERO C[C@@H]([NH2+]CC(C)(C)O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000103168589 296116949 /nfs/dbraw/zinc/11/69/49/296116949.db2.gz NDQBYUACYLXOFL-CQSZACIVSA-N 1 0 312.413 3.360 10 0 DGAERO O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261704025 284034032 /nfs/dbraw/zinc/03/40/32/284034032.db2.gz OMUSLZISZIBPMX-ITGHMWBKSA-N 1 0 318.383 3.144 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000458414867 243052885 /nfs/dbraw/zinc/05/28/85/243052885.db2.gz LJVKLRONTBOWNJ-FUHWJXTLSA-N 1 0 317.477 3.223 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1Cl ZINC000250900396 202824398 /nfs/dbraw/zinc/82/43/98/202824398.db2.gz NBZLNUCNORFXGX-RKLWJJNISA-N 1 0 306.837 3.438 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000459048024 243235974 /nfs/dbraw/zinc/23/59/74/243235974.db2.gz XDKOZNONAXJGIC-IPYPFGDCSA-N 1 0 307.438 3.021 10 0 DGAERO [NH3+][C@@H]1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000255189940 202908625 /nfs/dbraw/zinc/90/86/25/202908625.db2.gz TWRFESRTRMUIEG-KGLIPLIRSA-N 1 0 322.408 3.405 10 0 DGAERO CCn1nncc1C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000459334632 243338039 /nfs/dbraw/zinc/33/80/39/243338039.db2.gz GJYGGNXXKUGURY-UHFFFAOYSA-N 1 0 312.339 3.342 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CC[C@@H](C4CCOCC4)C3)C2)cc1 ZINC000459370089 243351693 /nfs/dbraw/zinc/35/16/93/243351693.db2.gz HEHISRTUJDRURT-UXHICEINSA-N 1 0 314.473 3.009 10 0 DGAERO c1ccc(N2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459466829 243380016 /nfs/dbraw/zinc/38/00/16/243380016.db2.gz KEZBXWYCDLJVFB-UHFFFAOYSA-N 1 0 308.429 3.113 10 0 DGAERO CCC1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000246309296 432117905 /nfs/dbraw/zinc/11/79/05/432117905.db2.gz BAVGZOAERHVGQV-RDHHWEPZSA-N 1 0 309.498 3.327 10 0 DGAERO c1ccc(OC2CCC2)c(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000459415391 243362575 /nfs/dbraw/zinc/36/25/75/243362575.db2.gz RYACVQOXHRXGTH-UHFFFAOYSA-N 1 0 300.446 3.334 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000112001844 284083710 /nfs/dbraw/zinc/08/37/10/284083710.db2.gz MYFHUORSWZSAMV-YLJYHZDGSA-N 1 0 322.452 3.381 10 0 DGAERO C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C(C)(C)C ZINC000112443493 284090922 /nfs/dbraw/zinc/09/09/22/284090922.db2.gz XPOGLGUKZRDJIM-IUODEOHRSA-N 1 0 309.429 3.162 10 0 DGAERO CCCOc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246318881 432118419 /nfs/dbraw/zinc/11/84/19/432118419.db2.gz AJNKGOCXYANASR-CABCVRRESA-N 1 0 317.433 3.176 10 0 DGAERO Cc1cc(C[NH+]2CCC([C@@H](C)O)CC2)c(OC(F)F)cc1C ZINC000092970791 193190155 /nfs/dbraw/zinc/19/01/55/193190155.db2.gz AVEKIFBHAAXJSU-CYBMUJFWSA-N 1 0 313.388 3.498 10 0 DGAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1Cl ZINC000113579487 284103150 /nfs/dbraw/zinc/10/31/50/284103150.db2.gz CLNSCBISSHOCQR-HZSPNIEDSA-N 1 0 321.852 3.279 10 0 DGAERO O=C(N[C@@H]1CCc2cc(Cl)ccc21)C1CC[NH+](C2CC2)CC1 ZINC000195378493 284104559 /nfs/dbraw/zinc/10/45/59/284104559.db2.gz DWGXENAVGHPQNH-QGZVFWFLSA-N 1 0 318.848 3.318 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)c1cccs1 ZINC000115343635 284113338 /nfs/dbraw/zinc/11/33/38/284113338.db2.gz XPVIFYGVKJWWCE-ZIAGYGMSSA-N 1 0 308.491 3.262 10 0 DGAERO COC(=O)[C@@H](C1CC1)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469450233 244106815 /nfs/dbraw/zinc/10/68/15/244106815.db2.gz MKHDGHBRDUPKOI-QGZVFWFLSA-N 1 0 323.383 3.171 10 0 DGAERO CCCCC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000117874728 284126243 /nfs/dbraw/zinc/12/62/43/284126243.db2.gz QMXSSTOBSJSNAL-UHFFFAOYSA-N 1 0 300.446 3.478 10 0 DGAERO C[C@H]1CCC[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119014418 284132433 /nfs/dbraw/zinc/13/24/33/284132433.db2.gz RKEADPDWBBPKDW-OTBWCIGPSA-N 1 0 309.498 3.327 10 0 DGAERO CC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@H]1c1ccccc1 ZINC000472234960 244291437 /nfs/dbraw/zinc/29/14/37/244291437.db2.gz ZIMAFSOMSYHDIW-IEBWSBKVSA-N 1 0 314.473 3.371 10 0 DGAERO CC1(C)CCC(C[N@@H+]2CCCN(c3cccnn3)CC2)CC1 ZINC000093150433 193208560 /nfs/dbraw/zinc/20/85/60/193208560.db2.gz FMDIWCNKHHEGOU-UHFFFAOYSA-N 1 0 302.466 3.205 10 0 DGAERO CCCc1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000119374994 284141396 /nfs/dbraw/zinc/14/13/96/284141396.db2.gz XKUGIVJQGWPSGC-YOEHRIQHSA-N 1 0 303.450 3.489 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000474265655 244382489 /nfs/dbraw/zinc/38/24/89/244382489.db2.gz LDBYBJRFSCZICW-ZWKOTPCHSA-N 1 0 302.462 3.417 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000474333592 244389430 /nfs/dbraw/zinc/38/94/30/244389430.db2.gz UQQMCRAXBQSADR-GBESFXJTSA-N 1 0 314.473 3.388 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N(CC2CC2)CC2CCC2)CC1 ZINC000474455815 244401747 /nfs/dbraw/zinc/40/17/47/244401747.db2.gz KNMYCDHNDHRWEM-UHFFFAOYSA-N 1 0 321.509 3.330 10 0 DGAERO O=C(N[C@H]1CCCC(F)(F)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000488971282 284168871 /nfs/dbraw/zinc/16/88/71/284168871.db2.gz DWSKTJDTKRAZPR-KBPBESRZSA-N 1 0 314.420 3.335 10 0 DGAERO CC[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)C1(C(=O)OC)CCC1 ZINC000477850795 244592932 /nfs/dbraw/zinc/59/29/32/244592932.db2.gz DAESYNZPQMZFGK-DOTOQJQBSA-N 1 0 311.466 3.029 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1Cc1c(C)nn(CCC(=O)OC)c1C ZINC000093530182 193264535 /nfs/dbraw/zinc/26/45/35/193264535.db2.gz MGEANQUADYDWBC-MRXNPFEDSA-N 1 0 321.465 3.218 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000093585211 193269814 /nfs/dbraw/zinc/26/98/14/193269814.db2.gz XNEVKIVEOGQEIB-CRAIPNDOSA-N 1 0 315.417 3.105 10 0 DGAERO CCCn1nc(C)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1C ZINC000093585084 193269842 /nfs/dbraw/zinc/26/98/42/193269842.db2.gz HNXFPEPRNCWFKZ-AEFFLSMTSA-N 1 0 305.466 3.037 10 0 DGAERO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000093611782 193273820 /nfs/dbraw/zinc/27/38/20/193273820.db2.gz FGTAHDXRHVIXQF-MRXNPFEDSA-N 1 0 322.330 3.248 10 0 DGAERO Cc1ccc2ncc(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)n2c1 ZINC000093637045 193279166 /nfs/dbraw/zinc/27/91/66/193279166.db2.gz IFXMHWLWLMZWKG-SJORKVTESA-N 1 0 312.461 3.090 10 0 DGAERO CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000093691541 193291072 /nfs/dbraw/zinc/29/10/72/193291072.db2.gz FFUIEEFRTFWXFO-CQSZACIVSA-N 1 0 317.458 3.489 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccc(OC)cc1OC ZINC000093764391 193300997 /nfs/dbraw/zinc/30/09/97/193300997.db2.gz GGPUABVMMMOTMT-UHFFFAOYSA-N 1 0 306.431 3.225 10 0 DGAERO CN(CC1CC[NH2+]CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000094043105 193340985 /nfs/dbraw/zinc/34/09/85/193340985.db2.gz RYYQMVXYZFYUKF-UHFFFAOYSA-N 1 0 307.747 3.190 10 0 DGAERO CCc1oc(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1C ZINC000120999517 284184410 /nfs/dbraw/zinc/18/44/10/284184410.db2.gz BIHGRAZWUNHUOP-UHFFFAOYSA-N 1 0 304.434 3.241 10 0 DGAERO CC(C)C1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000121283236 284193158 /nfs/dbraw/zinc/19/31/58/284193158.db2.gz AKJARCAEZOKSBB-ZGRYLRDCSA-N 1 0 309.498 3.325 10 0 DGAERO CC[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1nccs1 ZINC000121199770 284190913 /nfs/dbraw/zinc/19/09/13/284190913.db2.gz BOYARLVZQDZSMW-AWEZNQCLSA-N 1 0 318.446 3.478 10 0 DGAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCc2ccccc2F)CC1 ZINC000121358034 284195239 /nfs/dbraw/zinc/19/52/39/284195239.db2.gz FCCLWEKXYXUOKQ-HNNXBMFYSA-N 1 0 320.452 3.241 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N([C@H](C)C(C)C)C2CC2)CC1 ZINC000121942526 284209457 /nfs/dbraw/zinc/20/94/57/284209457.db2.gz DMHQYXDDDNDUIZ-OAHLLOKOSA-N 1 0 309.498 3.327 10 0 DGAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2c(Br)cnn2C)C1 ZINC000487280824 245043780 /nfs/dbraw/zinc/04/37/80/245043780.db2.gz QXLLUODOADYGSV-VXGBXAGGSA-N 1 0 314.271 3.487 10 0 DGAERO Cc1cccc(C)c1CC[NH2+]Cc1c(Br)cnn1C ZINC000487294754 245044637 /nfs/dbraw/zinc/04/46/37/245044637.db2.gz KXCIOMVBPYDCEF-UHFFFAOYSA-N 1 0 322.250 3.132 10 0 DGAERO CC(C)OCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181307462 432122849 /nfs/dbraw/zinc/12/28/49/432122849.db2.gz LUIJYIVGQGHPAI-INIZCTEOSA-N 1 0 314.433 3.076 10 0 DGAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000186399534 284232220 /nfs/dbraw/zinc/23/22/20/284232220.db2.gz GIFGAJGZOGODTQ-ORHYLEIMSA-N 1 0 307.356 3.383 10 0 DGAERO CCCOc1ccc(OCC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000123705864 284244080 /nfs/dbraw/zinc/24/40/80/284244080.db2.gz VQAJIJPSXINJIZ-IAGOWNOFSA-N 1 0 320.477 3.269 10 0 DGAERO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124228102 284255127 /nfs/dbraw/zinc/25/51/27/284255127.db2.gz DWQOPOQTPDXUAW-ZIAGYGMSSA-N 1 0 315.461 3.370 10 0 DGAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000124313504 284256519 /nfs/dbraw/zinc/25/65/19/284256519.db2.gz YOPUCKDRFQTQDF-DTWKUNHWSA-N 1 0 306.631 3.209 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccccc1F ZINC000124601071 284261945 /nfs/dbraw/zinc/26/19/45/284261945.db2.gz YQUWNFFTKSJZIH-AWEZNQCLSA-N 1 0 306.425 3.094 10 0 DGAERO CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246377039 432124799 /nfs/dbraw/zinc/12/47/99/432124799.db2.gz QNAFNDWFRLPAKL-WCXIOVBPSA-N 1 0 309.498 3.325 10 0 DGAERO COc1ccccc1OCCN1CCO[C@H](c2ccsc2)C1 ZINC000126160272 284296098 /nfs/dbraw/zinc/29/60/98/284296098.db2.gz DAAHTCRILYTAPW-KRWDZBQOSA-N 1 0 319.426 3.209 10 0 DGAERO Cc1ncsc1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246381601 432125512 /nfs/dbraw/zinc/12/55/12/432125512.db2.gz ADVKTKICNMPYCC-UONOGXRCSA-N 1 0 306.431 3.175 10 0 DGAERO C[C@H]1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H](C)O1 ZINC000127062157 284326028 /nfs/dbraw/zinc/32/60/28/284326028.db2.gz RTJYNQJPUXELGG-STQMWFEESA-N 1 0 305.809 3.135 10 0 DGAERO C[C@H]([NH2+]CC1CC(O)C1)c1cc(Br)ccc1F ZINC000127268589 284332773 /nfs/dbraw/zinc/33/27/73/284332773.db2.gz ZPZCHKDTNDHCFC-SILCLGDVSA-N 1 0 302.187 3.010 10 0 DGAERO CCCC[C@H](COC)[NH2+]Cc1ccccc1-n1ccc(C)n1 ZINC000127594653 284345208 /nfs/dbraw/zinc/34/52/08/284345208.db2.gz YHOZDOLFCJEMRX-QGZVFWFLSA-N 1 0 301.434 3.476 10 0 DGAERO c1ncc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)s1 ZINC000282767865 217237278 /nfs/dbraw/zinc/23/72/78/217237278.db2.gz PIFSFOIFRKNZHY-ZDUSSCGKSA-N 1 0 302.447 3.056 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000128506718 284377727 /nfs/dbraw/zinc/37/77/27/284377727.db2.gz KWBDVLCTSBYAGE-PBHICJAKSA-N 1 0 302.418 3.097 10 0 DGAERO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C)o3)C2)ncn1 ZINC000246434228 432130092 /nfs/dbraw/zinc/13/00/92/432130092.db2.gz OCSFSKABRQIXEM-GDBMZVCRSA-N 1 0 314.433 3.260 10 0 DGAERO CCCCN(C)[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019273740 182111648 /nfs/dbraw/zinc/11/16/48/182111648.db2.gz ZVTGVGYQEFRFLA-CYBMUJFWSA-N 1 0 303.219 3.320 10 0 DGAERO O=C(Nc1ccc(Br)cc1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019438103 182123097 /nfs/dbraw/zinc/12/30/97/182123097.db2.gz OMKQBOQWCBPOHV-DDTOSNHZSA-N 1 0 323.234 3.308 10 0 DGAERO O=C(Nc1ccccc1Br)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019502638 182126491 /nfs/dbraw/zinc/12/64/91/182126491.db2.gz IJYBYHRBIVOKBM-OSMZGAPFSA-N 1 0 323.234 3.308 10 0 DGAERO [NH3+][C@@H](c1ccc(Br)cc1)[C@H]1Cc2ccccc2O1 ZINC000019477149 182124306 /nfs/dbraw/zinc/12/43/06/182124306.db2.gz PPZFKDBYDCHVPD-CABCVRRESA-N 1 0 304.187 3.453 10 0 DGAERO NC(=[NH2+])c1ccccc1OCc1ccc(F)cc1Br ZINC000019482115 182124984 /nfs/dbraw/zinc/12/49/84/182124984.db2.gz LCGOWVDFYOJXBK-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246432270 432130754 /nfs/dbraw/zinc/13/07/54/432130754.db2.gz VMKJZGBHEBXUIG-SJLPKXTDSA-N 1 0 302.393 3.174 10 0 DGAERO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190209501 432131004 /nfs/dbraw/zinc/13/10/04/432131004.db2.gz YXRICPZZBLOSOI-OLZOCXBDSA-N 1 0 320.399 3.298 10 0 DGAERO [NH3+][C@@H](c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000019841529 182155587 /nfs/dbraw/zinc/15/55/87/182155587.db2.gz FDESXXJAPMRMHT-HNNXBMFYSA-N 1 0 320.186 3.268 10 0 DGAERO [NH3+][C@@H](c1cccs1)c1ccccc1I ZINC000019842309 182155661 /nfs/dbraw/zinc/15/56/61/182155661.db2.gz WHWIYPVMHBOMKO-LLVKDONJSA-N 1 0 315.179 3.401 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000129455982 284410413 /nfs/dbraw/zinc/41/04/13/284410413.db2.gz JHEBDMGFKXMNAX-UHFFFAOYSA-N 1 0 318.392 3.422 10 0 DGAERO O=C(C[NH2+]CCc1ccc(F)cc1)Nc1ccccc1Cl ZINC000020010088 182177214 /nfs/dbraw/zinc/17/72/14/182177214.db2.gz XBKGMSFTAZMGLY-UHFFFAOYSA-N 1 0 306.768 3.250 10 0 DGAERO C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000129662573 284419104 /nfs/dbraw/zinc/41/91/04/284419104.db2.gz NCFKPJBUQJAMTK-HNNXBMFYSA-N 1 0 316.445 3.284 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129632825 284417992 /nfs/dbraw/zinc/41/79/92/284417992.db2.gz DRKREJWKCVYDRV-YVZJPGBNSA-N 1 0 314.473 3.335 10 0 DGAERO C[C@@H](Cc1cccc(F)c1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129733498 284421854 /nfs/dbraw/zinc/42/18/54/284421854.db2.gz IRNIEXBZRLAQJV-SYJJWHGVSA-N 1 0 320.452 3.241 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246443913 432132291 /nfs/dbraw/zinc/13/22/91/432132291.db2.gz ODTJLBSVVHLNKH-DOMZBBRYSA-N 1 0 323.412 3.075 10 0 DGAERO CCCC[N@H+](C)CC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000020564720 182233240 /nfs/dbraw/zinc/23/32/40/182233240.db2.gz YBCFEJDBBXEQCE-UHFFFAOYSA-N 1 0 304.221 3.246 10 0 DGAERO O=C(Nc1nccc2sccc21)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000128927655 284435867 /nfs/dbraw/zinc/43/58/67/284435867.db2.gz IPEZJIMFPMQUED-CQSZACIVSA-N 1 0 301.415 3.109 10 0 DGAERO C[C@H]1CC[C@@H](CC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000130246790 284437309 /nfs/dbraw/zinc/43/73/09/284437309.db2.gz GBZMAICARCECCX-UONOGXRCSA-N 1 0 306.425 3.330 10 0 DGAERO CCC[C@@H](C)[N@H+](C)CC(=O)NCCc1cccc2cccnc21 ZINC000493658163 246035289 /nfs/dbraw/zinc/03/52/89/246035289.db2.gz NUYUQEJQKQOBLH-OAHLLOKOSA-N 1 0 313.445 3.014 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000130366665 284440273 /nfs/dbraw/zinc/44/02/73/284440273.db2.gz CDBYPTOUOKEMKG-ZWKOTPCHSA-N 1 0 302.462 3.273 10 0 DGAERO CC(C)COCCC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000494035737 246106392 /nfs/dbraw/zinc/10/63/92/246106392.db2.gz AVZQORGZRQMCOT-UHFFFAOYSA-N 1 0 312.498 3.162 10 0 DGAERO CCC[C@@H](C(=O)N(C)C[C@H](C)Cc1ccc(OC)cc1)[NH+](C)C ZINC000134845385 284452729 /nfs/dbraw/zinc/45/27/29/284452729.db2.gz VSAYUKVPIFWINM-QAPCUYQASA-N 1 0 320.477 3.063 10 0 DGAERO [NH3+]C[C@H](c1cc(Br)ccc1F)N1CCCCC1 ZINC000022217841 182313547 /nfs/dbraw/zinc/31/35/47/182313547.db2.gz DCTNDCQIISSSPU-CYBMUJFWSA-N 1 0 301.203 3.074 10 0 DGAERO c1ccc(COC2CC([NH2+]C[C@H]3CCCCN3C3CC3)C2)cc1 ZINC000494476239 246153345 /nfs/dbraw/zinc/15/33/45/246153345.db2.gz NRHVLRWHHAFDSA-SKINQDTJSA-N 1 0 314.473 3.341 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[C@@H](C)c3ccccc31)CC2 ZINC000246456931 432134527 /nfs/dbraw/zinc/13/45/27/432134527.db2.gz PNZLALHQCVMZGL-CKEIUWERSA-N 1 0 310.445 3.384 10 0 DGAERO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)c1ccco1 ZINC000246465361 432135190 /nfs/dbraw/zinc/13/51/90/432135190.db2.gz QCHMGJLEWDFANI-RBSFLKMASA-N 1 0 320.458 3.454 10 0 DGAERO Cc1cccc([C@H](C)CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246486357 432137077 /nfs/dbraw/zinc/13/70/77/432137077.db2.gz VZZZXVPOLVFCES-RYRKJORJSA-N 1 0 317.477 3.223 10 0 DGAERO CC(C)C[C@@H](C)OCCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000150867791 284539316 /nfs/dbraw/zinc/53/93/16/284539316.db2.gz XDIBBCZEGJXRQH-MSOLQXFVSA-N 1 0 324.509 3.305 10 0 DGAERO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036098366 182799531 /nfs/dbraw/zinc/79/95/31/182799531.db2.gz NSRNREZDFVWBEJ-RDJZCZTQSA-N 1 0 309.450 3.082 10 0 DGAERO CC[C@@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000171535820 432142454 /nfs/dbraw/zinc/14/24/54/432142454.db2.gz OIMRQLNBMFHNDU-INIZCTEOSA-N 1 0 300.446 3.267 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000190317827 432143055 /nfs/dbraw/zinc/14/30/55/432143055.db2.gz SNSZDRMLUOXZJU-AWEZNQCLSA-N 1 0 305.418 3.279 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000246578080 432145249 /nfs/dbraw/zinc/14/52/49/432145249.db2.gz IAQIYUWBJZOHEP-WFASDCNBSA-N 1 0 310.800 3.035 10 0 DGAERO CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nnc3n2CCCC3)C1(C)C ZINC000181835272 432146943 /nfs/dbraw/zinc/14/69/43/432146943.db2.gz HVOUPUWXKCSAAT-SOUVJXGZSA-N 1 0 320.481 3.105 10 0 DGAERO Cc1cc(Br)cc(C)c1NC(=O)CC[NH2+]C(C)C ZINC000037618261 182914218 /nfs/dbraw/zinc/91/42/18/182914218.db2.gz ILUGVMFRAYFGTB-UHFFFAOYSA-N 1 0 313.239 3.393 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(Br)c1 ZINC000038012554 182963152 /nfs/dbraw/zinc/96/31/52/182963152.db2.gz SQNXXOJXOJORDU-SNVBAGLBSA-N 1 0 313.239 3.014 10 0 DGAERO FC(F)Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000038044837 182979299 /nfs/dbraw/zinc/97/92/99/182979299.db2.gz PBZUZNWCQIQLLO-SNVBAGLBSA-N 1 0 305.752 3.458 10 0 DGAERO Cc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)c(C)c1 ZINC000040173987 183043330 /nfs/dbraw/zinc/04/33/30/183043330.db2.gz XHOZUBAIEDFZAH-MRXNPFEDSA-N 1 0 307.397 3.293 10 0 DGAERO CCCCc1ccc(Nc2nc[nH+]c(NN(C)C)c2N)cc1 ZINC000040680066 183117071 /nfs/dbraw/zinc/11/70/71/183117071.db2.gz QUAFFQXLFUOACH-UHFFFAOYSA-N 1 0 300.410 3.034 10 0 DGAERO Cc1ccc(Nc2nc[nH+]c(NNC(C)(C)C)c2N)cc1C ZINC000040702977 183120094 /nfs/dbraw/zinc/12/00/94/183120094.db2.gz MGBYLXBMVPZGPJ-UHFFFAOYSA-N 1 0 300.410 3.134 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccc(Cl)cc1 ZINC000040852305 183141917 /nfs/dbraw/zinc/14/19/17/183141917.db2.gz HZXCIEGBAQHGMB-MZGVZZPPSA-N 1 0 306.837 3.438 10 0 DGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000181881606 432149618 /nfs/dbraw/zinc/14/96/18/432149618.db2.gz IZRKQNDLRNQESW-ZNMIVQPWSA-N 1 0 320.481 3.105 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)CCSc1ccccc1F ZINC000041915711 183225211 /nfs/dbraw/zinc/22/52/11/183225211.db2.gz PPKMWFJNVIFWAP-CYBMUJFWSA-N 1 0 312.454 3.154 10 0 DGAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000042167678 183238459 /nfs/dbraw/zinc/23/84/59/183238459.db2.gz BFFFILHSEGQBTN-GWCFXTLKSA-N 1 0 300.324 3.025 10 0 DGAERO CC[N@H+](Cc1cc(Br)ccc1OC)[C@@H](C)COC ZINC000042252233 183247481 /nfs/dbraw/zinc/24/74/81/183247481.db2.gz JOQJTAPUUHTQAB-NSHDSACASA-N 1 0 316.239 3.315 10 0 DGAERO CC[N@H+](Cc1ccc(OC)c(Br)c1)[C@H](C)COC ZINC000042252172 183247560 /nfs/dbraw/zinc/24/75/60/183247560.db2.gz NLSVRJNTZWJIFC-LLVKDONJSA-N 1 0 316.239 3.315 10 0 DGAERO COCC[N@H+](C)CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000181943621 432150002 /nfs/dbraw/zinc/15/00/02/432150002.db2.gz FKPOHXKBDDBCKF-QGZVFWFLSA-N 1 0 314.420 3.220 10 0 DGAERO O=C(N[C@H](c1ccccc1)C1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171602387 432150199 /nfs/dbraw/zinc/15/01/99/432150199.db2.gz KYTKKONJVIVMKZ-QZTJIDSGSA-N 1 0 313.445 3.017 10 0 DGAERO CN(Cc1cc(Br)cs1)[C@H](C[NH3+])c1ccco1 ZINC000042398983 183264215 /nfs/dbraw/zinc/26/42/15/183264215.db2.gz QFMPGOXAQIXSMI-LLVKDONJSA-N 1 0 315.236 3.235 10 0 DGAERO NC(=S)CC[N@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000042546738 183282813 /nfs/dbraw/zinc/28/28/13/183282813.db2.gz XJIFYKSMQMGUDC-UHFFFAOYSA-N 1 0 313.264 3.090 10 0 DGAERO NC(=S)CC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000042546487 183283464 /nfs/dbraw/zinc/28/34/64/183283464.db2.gz KWKXPXSRRXVGRG-UHFFFAOYSA-N 1 0 313.264 3.090 10 0 DGAERO CC(C)CN([C@H](C[NH3+])c1ccc(Br)o1)C1CC1 ZINC000042555947 183284761 /nfs/dbraw/zinc/28/47/61/183284761.db2.gz BIMOPGIEMFKDIZ-LLVKDONJSA-N 1 0 301.228 3.162 10 0 DGAERO Nc1[nH+]c2cc(Br)ccc2n1CCc1ccco1 ZINC000042591913 183288820 /nfs/dbraw/zinc/28/88/20/183288820.db2.gz DXMBCYHNBKPJER-UHFFFAOYSA-N 1 0 306.163 3.217 10 0 DGAERO CCN([C@@H](C[NH3+])c1cccc(Cl)c1Cl)[C@@H](C)COC ZINC000042743434 183304961 /nfs/dbraw/zinc/30/49/61/183304961.db2.gz ADZDOIGYVXFOFE-GWCFXTLKSA-N 1 0 305.249 3.350 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)cc1)n1cc(Br)cn1 ZINC000042915947 183318479 /nfs/dbraw/zinc/31/84/79/183318479.db2.gz MDOYNWXRYWSHAN-UONOGXRCSA-N 1 0 308.223 3.281 10 0 DGAERO CCOCCO[C@@H](c1ccc(Br)cc1)[C@@H]([NH3+])CC ZINC000042957174 183322806 /nfs/dbraw/zinc/32/28/06/183322806.db2.gz NPDIJUNUODSFEV-KBPBESRZSA-N 1 0 316.239 3.281 10 0 DGAERO CC(C)OCCO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042957387 183323081 /nfs/dbraw/zinc/32/30/81/183323081.db2.gz AAXMZOTZECUTLY-BXUZGUMPSA-N 1 0 316.239 3.279 10 0 DGAERO C[C@H]([NH3+])[C@H](Sc1ncccn1)c1ccc(Br)cc1 ZINC000042959151 183323569 /nfs/dbraw/zinc/32/35/69/183323569.db2.gz MKIQKGQDKXMSQB-CABZTGNLSA-N 1 0 324.247 3.420 10 0 DGAERO CC[C@H]([NH3+])[C@@H](OCCCOC)c1ccc(Br)cc1 ZINC000042958365 183323652 /nfs/dbraw/zinc/32/36/52/183323652.db2.gz WVDYELAQVUKHJH-KBPBESRZSA-N 1 0 316.239 3.281 10 0 DGAERO Cc1cc(C)n([C@H](c2cccc(Br)c2)[C@@H](C)[NH3+])n1 ZINC000043022075 183329496 /nfs/dbraw/zinc/32/94/96/183329496.db2.gz NDNFCYKFMOVCEK-RISCZKNCSA-N 1 0 308.223 3.199 10 0 DGAERO C[C@H]([NH3+])[C@@H](OCC(F)(F)F)c1cccc(Br)c1 ZINC000043022340 183330613 /nfs/dbraw/zinc/33/06/13/183330613.db2.gz RWTOCRRBIUUSSV-OIBJUYFYSA-N 1 0 312.129 3.416 10 0 DGAERO [NH3+]C[C@H](Sc1ncccn1)c1cccc(Br)c1 ZINC000043024631 183331459 /nfs/dbraw/zinc/33/14/59/183331459.db2.gz UNMRYFZCWDMLHY-NSHDSACASA-N 1 0 310.220 3.031 10 0 DGAERO C[C@@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccccc1Br ZINC000043093993 183336748 /nfs/dbraw/zinc/33/67/48/183336748.db2.gz DWXXABGXRLJNQE-GMSGAONNSA-N 1 0 312.129 3.416 10 0 DGAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)n1cc(Cl)cn1 ZINC000043093806 183336384 /nfs/dbraw/zinc/33/63/84/183336384.db2.gz GTHUKFKDTRSQSB-UFBFGSQYSA-N 1 0 314.614 3.236 10 0 DGAERO C[C@H](c1ccc(Br)s1)N1CCCC[C@@H]1C[NH3+] ZINC000044540485 183420966 /nfs/dbraw/zinc/42/09/66/183420966.db2.gz NSXPTXBDYSVYIR-NXEZZACHSA-N 1 0 303.269 3.385 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)ccc1F ZINC000153586266 284679635 /nfs/dbraw/zinc/67/96/35/284679635.db2.gz WLALBZIUCJBWPL-STQMWFEESA-N 1 0 305.397 3.326 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)ccc1F ZINC000153770875 284690798 /nfs/dbraw/zinc/69/07/98/284690798.db2.gz GJDIFZDZFXYWAT-CYBMUJFWSA-N 1 0 322.424 3.134 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000102686967 193917158 /nfs/dbraw/zinc/91/71/58/193917158.db2.gz PFRZCCNFOZMHBA-JTQLQIEISA-N 1 0 301.217 3.266 10 0 DGAERO COc1cc(C[NH2+][C@H]2CCC2(C)C)cc(Br)c1O ZINC000284499146 218053333 /nfs/dbraw/zinc/05/33/33/218053333.db2.gz VOQLOMUXKMRJHG-LBPRGKRZSA-N 1 0 314.223 3.442 10 0 DGAERO COc1ccccc1CC[N@H+](C)CCOc1ccccc1OC ZINC000104711523 194030104 /nfs/dbraw/zinc/03/01/04/194030104.db2.gz LJWLAMDQZWWMFK-UHFFFAOYSA-N 1 0 315.413 3.257 10 0 DGAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(C)cc1 ZINC000105084027 194070183 /nfs/dbraw/zinc/07/01/83/194070183.db2.gz BPCHJOXUVQCPTJ-MSOLQXFVSA-N 1 0 315.461 3.326 10 0 DGAERO CCCOc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104980386 194061461 /nfs/dbraw/zinc/06/14/61/194061461.db2.gz GWRYHYDUZKGTEK-OAHLLOKOSA-N 1 0 317.433 3.177 10 0 DGAERO FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105883746 194157539 /nfs/dbraw/zinc/15/75/39/194157539.db2.gz AKRACBRGLANCCH-CQSZACIVSA-N 1 0 324.350 3.209 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000105897938 194162564 /nfs/dbraw/zinc/16/25/64/194162564.db2.gz GDXMALAYTHHGQQ-KRWDZBQOSA-N 1 0 315.465 3.149 10 0 DGAERO C[C@H](CCn1cccn1)[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000187522077 284764181 /nfs/dbraw/zinc/76/41/81/284764181.db2.gz PICOYQNVLXGLAW-CQSZACIVSA-N 1 0 309.417 3.136 10 0 DGAERO Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000106171736 194189486 /nfs/dbraw/zinc/18/94/86/194189486.db2.gz JGHVHYLWYKMZSR-CYBMUJFWSA-N 1 0 322.815 3.025 10 0 DGAERO Clc1cccc(OCCC[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000106217964 194190725 /nfs/dbraw/zinc/19/07/25/194190725.db2.gz ODRLYEVOAPNOKD-HNNXBMFYSA-N 1 0 320.824 3.038 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](CCOc3cccc(F)c3)C2)c1 ZINC000106221166 194191367 /nfs/dbraw/zinc/19/13/67/194191367.db2.gz HEZDFFNQGYBHDC-INIZCTEOSA-N 1 0 303.381 3.047 10 0 DGAERO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000190913018 284778401 /nfs/dbraw/zinc/77/84/01/284778401.db2.gz HMMXIMBTSBJJKP-MNOVXSKESA-N 1 0 302.187 3.245 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(C2CC2)cc1 ZINC000190980505 284804475 /nfs/dbraw/zinc/80/44/75/284804475.db2.gz MPBPLJLCQCOFEU-CQSZACIVSA-N 1 0 303.450 3.094 10 0 DGAERO O=C(N1CCCC[C@H]([NH+]2CCCC2)C1)C1(c2ccccc2)CC1 ZINC000107523705 194255813 /nfs/dbraw/zinc/25/58/13/194255813.db2.gz PEVONQQFPZNPPT-SFHVURJKSA-N 1 0 312.457 3.195 10 0 DGAERO Cc1ccc(F)c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107522833 194255911 /nfs/dbraw/zinc/25/59/11/194255911.db2.gz VTZPKHGRUAZDTB-HNNXBMFYSA-N 1 0 304.409 3.225 10 0 DGAERO c1ccc(CSCCC[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285347041 218390457 /nfs/dbraw/zinc/39/04/57/218390457.db2.gz PFQNSXUETPKCGI-GOSISDBHSA-N 1 0 321.486 3.191 10 0 DGAERO CC[C@@H](C)COc1c(Br)cc(C[NH3+])cc1OC ZINC000050423962 183785935 /nfs/dbraw/zinc/78/59/35/183785935.db2.gz GTUHJDZCRCOPBS-SECBINFHSA-N 1 0 302.212 3.341 10 0 DGAERO CC[C@H]([NH2+]Cc1ncc(I)s1)C(C)C ZINC000285410572 218422448 /nfs/dbraw/zinc/42/24/48/218422448.db2.gz IWIVSGPMRBLETQ-QMMMGPOBSA-N 1 0 324.231 3.272 10 0 DGAERO Brc1ccc(C2CC([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000109544843 194272727 /nfs/dbraw/zinc/27/27/27/194272727.db2.gz IPWICGUHEKLOTQ-HNFVBEJKSA-N 1 0 310.235 3.464 10 0 DGAERO CCC[NH2+][C@@H](CCc1ccccc1Br)COC ZINC000051696333 183834683 /nfs/dbraw/zinc/83/46/83/183834683.db2.gz WIKZTTBYYNSVBF-ZDUSSCGKSA-N 1 0 300.240 3.396 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000247466758 296312496 /nfs/dbraw/zinc/31/24/96/296312496.db2.gz RNXBRAPDWCLDCQ-SNPRPXQTSA-N 1 0 322.399 3.059 10 0 DGAERO CC[NH+](CC)[C@@H](CNc1ccnc(C2CC2)n1)c1ccco1 ZINC000110319325 194321544 /nfs/dbraw/zinc/32/15/44/194321544.db2.gz VSGLUOIMHZTDKL-AWEZNQCLSA-N 1 0 300.406 3.442 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)C1(C)C ZINC000245852003 284847285 /nfs/dbraw/zinc/84/72/85/284847285.db2.gz GMUQXQGHEFQPBD-NWANDNLSSA-N 1 0 323.868 3.107 10 0 DGAERO Brc1cccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000268861321 207029959 /nfs/dbraw/zinc/02/99/59/207029959.db2.gz SCJHVZSWUGWSTQ-ZDUSSCGKSA-N 1 0 306.207 3.339 10 0 DGAERO C[NH2+][C@@H](Cc1cc(Br)cs1)Cc1ccncc1 ZINC000060709268 184154437 /nfs/dbraw/zinc/15/44/37/184154437.db2.gz CPOVWNOZAXSRHH-GFCCVEGCSA-N 1 0 311.248 3.279 10 0 DGAERO C[NH2+][C@@H](Cc1ccc(Br)s1)Cc1ccncc1 ZINC000060709091 184154463 /nfs/dbraw/zinc/15/44/63/184154463.db2.gz AFEIXXMPZAVRSR-LLVKDONJSA-N 1 0 311.248 3.279 10 0 DGAERO O=C(CSc1ccccc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605578 184177613 /nfs/dbraw/zinc/17/76/13/184177613.db2.gz CLVYVYPQKCDCII-UHFFFAOYSA-N 1 0 324.877 3.129 10 0 DGAERO COc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1Cl ZINC000061610682 184177940 /nfs/dbraw/zinc/17/79/40/184177940.db2.gz ZNNRYOVRQSJUQR-CYBMUJFWSA-N 1 0 304.777 3.030 10 0 DGAERO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1ccccc1Cl ZINC000061612693 184178767 /nfs/dbraw/zinc/17/87/67/184178767.db2.gz QWGHHTDKSUTWIP-DOMZBBRYSA-N 1 0 302.805 3.260 10 0 DGAERO NC(=[NH2+])c1ncccc1CSc1ccc(Br)cc1 ZINC000061658996 184181075 /nfs/dbraw/zinc/18/10/75/184181075.db2.gz SXVRFTRFGWHIKK-UHFFFAOYSA-N 1 0 322.231 3.420 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@@H]1c2cc(Cl)ccc2OC[C@@H]1O ZINC000062190913 184218351 /nfs/dbraw/zinc/21/83/51/184218351.db2.gz LAJRQADEONRGCZ-DOTOQJQBSA-N 1 0 303.789 3.266 10 0 DGAERO C[NH2+][C@H](c1ccc(OC)c(Br)c1)[C@@H]1CCCOC1 ZINC000062230969 184224165 /nfs/dbraw/zinc/22/41/65/184224165.db2.gz BIUBSUQVFRFGOZ-BXUZGUMPSA-N 1 0 314.223 3.145 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000062347876 184231399 /nfs/dbraw/zinc/23/13/99/184231399.db2.gz XOVYDPKMYIPDFJ-LBPRGKRZSA-N 1 0 321.852 3.210 10 0 DGAERO Cc1nn(-c2cc(Cl)ccc2C[NH3+])c(C)c1Br ZINC000062787095 184253203 /nfs/dbraw/zinc/25/32/03/184253203.db2.gz SKEVVWAVECCRHI-UHFFFAOYSA-N 1 0 314.614 3.364 10 0 DGAERO [NH3+][C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000062837969 184255747 /nfs/dbraw/zinc/25/57/47/184255747.db2.gz JCKRFMOIBORSSE-CQSZACIVSA-N 1 0 309.196 3.423 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062855766 184256556 /nfs/dbraw/zinc/25/65/56/184256556.db2.gz OXSBTUDMNXQPKQ-CQSZACIVSA-N 1 0 311.223 3.086 10 0 DGAERO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1COc1cccnc1 ZINC000065375499 184331054 /nfs/dbraw/zinc/33/10/54/184331054.db2.gz YUEVEPHLBRGHBV-UHFFFAOYSA-N 1 0 309.373 3.068 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246996484 284935361 /nfs/dbraw/zinc/93/53/61/284935361.db2.gz MVVCOPFXYJXQEY-SNRMKQJTSA-N 1 0 314.473 3.324 10 0 DGAERO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000066187236 184396108 /nfs/dbraw/zinc/39/61/08/184396108.db2.gz IJWSFWPQNFSSKQ-KGLIPLIRSA-N 1 0 307.463 3.079 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@@H]1c1ccco1)C[NH+]1CCCCC1 ZINC000116534834 194754247 /nfs/dbraw/zinc/75/42/47/194754247.db2.gz NRFYUXKMHSHWJU-HZPDHXFCSA-N 1 0 319.449 3.248 10 0 DGAERO CC(C)c1ccc([C@H](C)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000248467974 285000364 /nfs/dbraw/zinc/00/03/64/285000364.db2.gz TYHZDYNFZOBHDF-QFBILLFUSA-N 1 0 313.445 3.469 10 0 DGAERO CC[N@@H+]1CCC[C@@H](N[C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248487379 285001440 /nfs/dbraw/zinc/00/14/40/285001440.db2.gz LTALOXJVFUALGP-IEBWSBKVSA-N 1 0 313.420 3.384 10 0 DGAERO Brc1cccc2c(C[NH2+][C@H]3CCCOC3)ccnc12 ZINC000449127604 532970065 /nfs/dbraw/zinc/97/00/65/532970065.db2.gz WQXKYHRLJOMAHG-LBPRGKRZSA-N 1 0 321.218 3.266 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000084743018 252596299 /nfs/dbraw/zinc/59/62/99/252596299.db2.gz HNORTQWERRZCGV-LXXRFIIISA-N 1 0 300.446 3.389 10 0 DGAERO CCC[C@@H]1C[N@H+](C[C@H](C)Cc2ccccc2)CCN1CCOC ZINC000248563580 285006233 /nfs/dbraw/zinc/00/62/33/285006233.db2.gz KCPJZDXPHPOMHO-UYAOXDASSA-N 1 0 318.505 3.298 10 0 DGAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248606828 285010196 /nfs/dbraw/zinc/01/01/96/285010196.db2.gz WKBANRQKMPZPLB-JHJVBQTASA-N 1 0 320.399 3.202 10 0 DGAERO COc1ccc(Cl)c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000192007713 207635334 /nfs/dbraw/zinc/63/53/34/207635334.db2.gz XWMXKTVEYOGWMU-UHFFFAOYSA-N 1 0 319.836 3.457 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000249240469 207674169 /nfs/dbraw/zinc/67/41/69/207674169.db2.gz CRRCDXWRIQNXTG-VBHSOAQHSA-N 1 0 317.408 3.395 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1ccnn1C ZINC000248754013 285023474 /nfs/dbraw/zinc/02/34/74/285023474.db2.gz CLWZZHIVMDQZCV-MJEQTWJJSA-N 1 0 318.852 3.170 10 0 DGAERO COc1ncccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000248740087 285021808 /nfs/dbraw/zinc/02/18/08/285021808.db2.gz QAYQZFPZROKCRN-QZTJIDSGSA-N 1 0 312.413 3.178 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248744967 285022312 /nfs/dbraw/zinc/02/23/12/285022312.db2.gz FIGFHVOKGRAUEI-BJWYYQGGSA-N 1 0 318.461 3.256 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)C(C)(C)C[NH+](C)C ZINC000119622290 195003611 /nfs/dbraw/zinc/00/36/11/195003611.db2.gz CUIXOTPNUHQBDM-KGLIPLIRSA-N 1 0 307.438 3.102 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)c(Br)c1 ZINC000119623859 195005281 /nfs/dbraw/zinc/00/52/81/195005281.db2.gz KKGLCTWZGQCOPA-PIGZYNQJSA-N 1 0 318.280 3.004 10 0 DGAERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000248852054 285031996 /nfs/dbraw/zinc/03/19/96/285031996.db2.gz QENCIZUZCUHNST-KKUMJFAQSA-N 1 0 309.356 3.398 10 0 DGAERO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000248852059 285032207 /nfs/dbraw/zinc/03/22/07/285032207.db2.gz QENCIZUZCUHNST-ZNMIVQPWSA-N 1 0 309.356 3.398 10 0 DGAERO CC(C)[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C1CCOCC1 ZINC000119633136 195006390 /nfs/dbraw/zinc/00/63/90/195006390.db2.gz WWKTZNFPQXWZBF-AEFFLSMTSA-N 1 0 322.493 3.057 10 0 DGAERO CC1(C)CN(C(=O)c2ccc(OC3CCC3)cc2Cl)CC[NH2+]1 ZINC000119639326 195007478 /nfs/dbraw/zinc/00/74/78/195007478.db2.gz APQNCLMUTKRLRW-UHFFFAOYSA-N 1 0 322.836 3.095 10 0 DGAERO Cc1cccc(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)c1C ZINC000119640107 195007663 /nfs/dbraw/zinc/00/76/63/195007663.db2.gz MDFZSHCSLAIMDQ-UHFFFAOYSA-N 1 0 304.434 3.131 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@H]3C(C)=CCC[C@@H]3C)CCO2)n1 ZINC000249104246 285056183 /nfs/dbraw/zinc/05/61/83/285056183.db2.gz QDLJSRPEXJIJEV-SNRMKQJTSA-N 1 0 317.477 3.193 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)C1CCCCC1 ZINC000249129921 285058470 /nfs/dbraw/zinc/05/84/70/285058470.db2.gz UTESXASUQDXRIH-UYAOXDASSA-N 1 0 317.473 3.466 10 0 DGAERO Cc1cc(C)cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107528068 291840087 /nfs/dbraw/zinc/84/00/87/291840087.db2.gz NWRWSISBTOPAFE-SFHVURJKSA-N 1 0 300.446 3.394 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249127428 285058065 /nfs/dbraw/zinc/05/80/65/285058065.db2.gz VEAYIKQHJBNRKH-BZSNNMDCSA-N 1 0 314.477 3.370 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000249207457 285063664 /nfs/dbraw/zinc/06/36/64/285063664.db2.gz WROOJCYTWZNSBD-WMEZAQDKSA-N 1 0 300.446 3.131 10 0 DGAERO CCc1ncsc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333192612 252941009 /nfs/dbraw/zinc/94/10/09/252941009.db2.gz SMZNXHOQBUVVCF-TZMCWYRMSA-N 1 0 322.478 3.092 10 0 DGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249176854 285061530 /nfs/dbraw/zinc/06/15/30/285061530.db2.gz FSBXXRAOKIIFHE-GFIVTLFCSA-N 1 0 300.446 3.083 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c(F)cccc2N2CCCC2)CC[C@@H]1C ZINC000249182469 285062171 /nfs/dbraw/zinc/06/21/71/285062171.db2.gz NLFIVNTXCFHNOJ-KBXCAEBGSA-N 1 0 306.425 3.283 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)CC[C@H]1C ZINC000249266266 285065247 /nfs/dbraw/zinc/06/52/47/285065247.db2.gz ZNGUVNJPBRMAQR-KUHUBIRLSA-N 1 0 313.445 3.346 10 0 DGAERO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c(C)c1 ZINC000249527503 285079266 /nfs/dbraw/zinc/07/92/66/285079266.db2.gz AHSVKHWAADPOJC-YJYMSZOUSA-N 1 0 318.461 3.033 10 0 DGAERO c1cn(-c2csc(C[NH2+][C@H]3CCCC34CCOCC4)c2)cn1 ZINC000337305142 253082946 /nfs/dbraw/zinc/08/29/46/253082946.db2.gz RDPIHKZZPUIWAL-INIZCTEOSA-N 1 0 317.458 3.373 10 0 DGAERO C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCCC[C@H]1O ZINC000249746579 285086892 /nfs/dbraw/zinc/08/68/92/285086892.db2.gz NXMAUXABVGLRNF-ZWNOBZJWSA-N 1 0 318.280 3.494 10 0 DGAERO COc1ccccc1C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)C(C)C ZINC000249771370 285088103 /nfs/dbraw/zinc/08/81/03/285088103.db2.gz BSVKSULJNNBGSU-SZMVWBNQSA-N 1 0 305.462 3.403 10 0 DGAERO COC[C@H](C)C[NH2+][C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000249777324 285088600 /nfs/dbraw/zinc/08/86/00/285088600.db2.gz KNTNYVWKVKMXCY-GPMSIDNRSA-N 1 0 321.461 3.184 10 0 DGAERO COC[C@H](C)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000249852995 285089943 /nfs/dbraw/zinc/08/99/43/285089943.db2.gz PTXIQNNNPYCOCX-BYCMXARLSA-N 1 0 317.351 3.096 10 0 DGAERO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@H](C)Cn1cncn1 ZINC000337348857 253093610 /nfs/dbraw/zinc/09/36/10/253093610.db2.gz ZMZPBDFWYUMYTL-FFXRNRBCSA-N 1 0 324.350 3.379 10 0 DGAERO CO[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1C ZINC000251615885 285097255 /nfs/dbraw/zinc/09/72/55/285097255.db2.gz GJIACFTVVHJUHE-IUODEOHRSA-N 1 0 310.825 3.025 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@H]1C ZINC000251848108 285098891 /nfs/dbraw/zinc/09/88/91/285098891.db2.gz NHKVHCGPVPWVPF-IUODEOHRSA-N 1 0 317.351 3.485 10 0 DGAERO COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)ccc2o1 ZINC000251777194 285098121 /nfs/dbraw/zinc/09/81/21/285098121.db2.gz LFQYKYHJWURSRN-YVEFUNNKSA-N 1 0 317.385 3.076 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)CC[C@H]1C ZINC000252061615 285102005 /nfs/dbraw/zinc/10/20/05/285102005.db2.gz ZZICIEUDMQYSFV-IUODEOHRSA-N 1 0 317.351 3.485 10 0 DGAERO CC[C@@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000338238121 253248476 /nfs/dbraw/zinc/24/84/76/253248476.db2.gz YXCCWJWTTXLTAH-NVXWUHKLSA-N 1 0 303.450 3.139 10 0 DGAERO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1C ZINC000120204756 195118042 /nfs/dbraw/zinc/11/80/42/195118042.db2.gz KPXGDSCCULVEAU-SFHVURJKSA-N 1 0 310.445 3.194 10 0 DGAERO c1csc(C[NH+]2CCN(c3ccnc4cccnc43)CC2)c1 ZINC000338637041 253324122 /nfs/dbraw/zinc/32/41/22/253324122.db2.gz MNBYQOSSYZQITB-UHFFFAOYSA-N 1 0 310.426 3.014 10 0 DGAERO C[C@@H](CSC(C)(C)C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000159111805 197328068 /nfs/dbraw/zinc/32/80/68/197328068.db2.gz DGHIUVXGQDXHSK-HOCLYGCPSA-N 1 0 322.518 3.196 10 0 DGAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000159103339 197327451 /nfs/dbraw/zinc/32/74/51/197327451.db2.gz REIDMTIATZUXJP-HOCLYGCPSA-N 1 0 316.470 3.407 10 0 DGAERO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120223294 195122033 /nfs/dbraw/zinc/12/20/33/195122033.db2.gz CQANCESDRPFNIM-DQSGYLJSSA-N 1 0 322.456 3.481 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)NC/C=C\c1ccccc1)c1ccccc1 ZINC000255025587 285121343 /nfs/dbraw/zinc/12/13/43/285121343.db2.gz SJHVWABRUJHJQN-UZRURVBFSA-N 1 0 323.440 3.302 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C/C=C\c2cccc(F)c2)CC1 ZINC000255226425 285138835 /nfs/dbraw/zinc/13/88/35/285138835.db2.gz KECJOAKXGFNVFU-XQRVVYSFSA-N 1 0 318.436 3.466 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C/C=C\c1ccc(C)cc1 ZINC000255502037 285159726 /nfs/dbraw/zinc/15/97/26/285159726.db2.gz WMDVPOLDOXDVMJ-YEODSOHDSA-N 1 0 300.446 3.341 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000255522896 285161323 /nfs/dbraw/zinc/16/13/23/285161323.db2.gz DVKQSICQTWEEDQ-GOVFWEMJSA-N 1 0 300.446 3.197 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)ccc1F ZINC000179394688 533114651 /nfs/dbraw/zinc/11/46/51/533114651.db2.gz XHRBJVHKDWQHBW-HIFRSBDPSA-N 1 0 311.397 3.071 10 0 DGAERO COc1ccccc1/C=C/C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120306165 195140113 /nfs/dbraw/zinc/14/01/13/195140113.db2.gz GEXHHHKCOKSEIV-FNORWQNLSA-N 1 0 324.428 3.075 10 0 DGAERO Cc1cnc(CC[N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)s1 ZINC000157684755 197208089 /nfs/dbraw/zinc/20/80/89/197208089.db2.gz XPPAUTXHRKUZNA-CQSZACIVSA-N 1 0 310.850 3.313 10 0 DGAERO C[NH+]1CCC(CCNC(=O)C/C=C\c2cccc(F)c2)CC1 ZINC000255626544 285169483 /nfs/dbraw/zinc/16/94/83/285169483.db2.gz PPCHYQXRZIACKL-HYXAFXHYSA-N 1 0 304.409 3.077 10 0 DGAERO c1ccc(C2(C[N@H+](C[C@H]3CCCO3)C[C@@H]3CCCO3)CC2)cc1 ZINC000343061438 254092670 /nfs/dbraw/zinc/09/26/70/254092670.db2.gz ACUKVPDJUQAWHW-KDURUIRLSA-N 1 0 315.457 3.378 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@H]2COc3ccccc3C2)ccc1F ZINC000153343352 533123037 /nfs/dbraw/zinc/12/30/37/533123037.db2.gz UQEWMLDMUGSWFY-IUODEOHRSA-N 1 0 301.361 3.489 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000120317701 195142646 /nfs/dbraw/zinc/14/26/46/195142646.db2.gz MLNACTUXVATYEO-CJNGLKHVSA-N 1 0 323.868 3.212 10 0 DGAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C/C=C\c1cccc(F)c1 ZINC000255843614 285181353 /nfs/dbraw/zinc/18/13/53/285181353.db2.gz MDVVFJFNAMRDIG-WVRJYTFGSA-N 1 0 304.409 3.028 10 0 DGAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(OC(C)(C)C)cc1 ZINC000157247204 197173534 /nfs/dbraw/zinc/17/35/34/197173534.db2.gz CLWVLVLESKOOPB-ZFWWWQNUSA-N 1 0 314.433 3.121 10 0 DGAERO c1[nH]nc2c1cccc2C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000344969567 254319709 /nfs/dbraw/zinc/31/97/09/254319709.db2.gz VTTJUXLXTWRDKY-OAHLLOKOSA-N 1 0 317.458 3.097 10 0 DGAERO C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000261381093 285190702 /nfs/dbraw/zinc/19/07/02/285190702.db2.gz DOZKZBZFCYSWHQ-WMZOPIPTSA-N 1 0 315.461 3.093 10 0 DGAERO COC(=O)[C@@]12CCC[C@H]1CN(c1cc[nH+]c3c(C)cccc13)C2 ZINC000302211224 533153131 /nfs/dbraw/zinc/15/31/31/533153131.db2.gz YQGWEHJGWUYZKY-IFXJQAMLSA-N 1 0 310.397 3.323 10 0 DGAERO C[NH+](C)C1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000120348780 195148668 /nfs/dbraw/zinc/14/86/68/195148668.db2.gz DVSQDZHNESXQLE-UHFFFAOYSA-N 1 0 307.488 3.398 10 0 DGAERO Cc1cccc2[nH]cc(CC[NH2+]C3CCC4(CC3)OCCO4)c21 ZINC000155626738 197072568 /nfs/dbraw/zinc/07/25/68/197072568.db2.gz FQKAIROFKAMYPF-UHFFFAOYSA-N 1 0 314.429 3.294 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000155419949 197053095 /nfs/dbraw/zinc/05/30/95/197053095.db2.gz ATTQZPSHEPLLLM-OTYXRUKQSA-N 1 0 316.779 3.077 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@@H](OC)C(C)(C)C)cc1NC(C)=O ZINC000154969919 197008928 /nfs/dbraw/zinc/00/89/28/197008928.db2.gz ACKOUJGMGCZAKU-YVEFUNNKSA-N 1 0 322.449 3.365 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000177023875 285237683 /nfs/dbraw/zinc/23/76/83/285237683.db2.gz KZWRLIHQZBUIAP-RBSFLKMASA-N 1 0 322.399 3.011 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000176993244 285237977 /nfs/dbraw/zinc/23/79/77/285237977.db2.gz ZCLYTKKWSZHKCL-HZSPNIEDSA-N 1 0 322.399 3.011 10 0 DGAERO OCC1(CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000453326260 285246839 /nfs/dbraw/zinc/24/68/39/285246839.db2.gz AEXSEGBVYPIKGN-ZDUSSCGKSA-N 1 0 314.351 3.230 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000120584723 195194523 /nfs/dbraw/zinc/19/45/23/195194523.db2.gz HVUAIFMKYFYGOR-QWHCGFSZSA-N 1 0 301.434 3.327 10 0 DGAERO CCc1noc([C@H](C)N2CC[NH+](CCCC3CCCC3)CC2)n1 ZINC000120503881 195178977 /nfs/dbraw/zinc/17/89/77/195178977.db2.gz DCLYXWGXLGIIRT-HNNXBMFYSA-N 1 0 320.481 3.281 10 0 DGAERO O[C@@H](C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)C1CCCCC1 ZINC000191314647 285300379 /nfs/dbraw/zinc/30/03/79/285300379.db2.gz PYRKUEPLMGROJM-ROUUACIJSA-N 1 0 307.434 3.202 10 0 DGAERO c1cncc(-c2cccc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)c2)c1 ZINC000289677391 221148066 /nfs/dbraw/zinc/14/80/66/221148066.db2.gz ZMCUGDAIXRTJGB-HXUWFJFHSA-N 1 0 324.424 3.130 10 0 DGAERO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)o1 ZINC000252139724 257106488 /nfs/dbraw/zinc/10/64/88/257106488.db2.gz GINCXPHHCIKKKH-MOPGFXCFSA-N 1 0 311.429 3.086 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000351538904 257236181 /nfs/dbraw/zinc/23/61/81/257236181.db2.gz AALLDRQMSBCQAN-UHFFFAOYSA-N 1 0 313.445 3.343 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NCc1cccs1 ZINC000121049655 195287737 /nfs/dbraw/zinc/28/77/37/195287737.db2.gz VWJHMWDELVAQRX-UONOGXRCSA-N 1 0 302.443 3.412 10 0 DGAERO COC(=O)[C@H](C)CN(Cc1nc(C)c(C)o1)Cc1ccccc1 ZINC000121108680 195294182 /nfs/dbraw/zinc/29/41/82/195294182.db2.gz NEDNLYMLGFJWGV-CYBMUJFWSA-N 1 0 316.401 3.103 10 0 DGAERO Cn1ccnc1CC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000121805592 195351881 /nfs/dbraw/zinc/35/18/81/195351881.db2.gz SYHXIZPCMHMRCX-UHFFFAOYSA-N 1 0 308.429 3.356 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@@H](C)c1cccs1 ZINC000121629899 195319906 /nfs/dbraw/zinc/31/99/06/195319906.db2.gz VETKBBFGZKQANN-KBPBESRZSA-N 1 0 311.495 3.427 10 0 DGAERO COc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C(F)(F)F ZINC000121970820 195382976 /nfs/dbraw/zinc/38/29/76/195382976.db2.gz CNAFNVMOSSFCEP-JSGCOSHPSA-N 1 0 305.340 3.295 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Cc2cccc3ccccc32)CC[N@@H+]1C ZINC000122911963 195519609 /nfs/dbraw/zinc/51/96/09/195519609.db2.gz VJHGFSNXXUOLET-MAUKXSAKSA-N 1 0 310.441 3.323 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccccc1C(F)(F)F ZINC000125645771 195772193 /nfs/dbraw/zinc/77/21/93/195772193.db2.gz JYRLBPUOHYIZCJ-SWLSCSKDSA-N 1 0 317.351 3.145 10 0 DGAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(F)c(Br)c1 ZINC000157521800 533356314 /nfs/dbraw/zinc/35/63/14/533356314.db2.gz UTOHGGBEUQNUNH-SNVBAGLBSA-N 1 0 316.214 3.401 10 0 DGAERO C[C@@H](C1CC1)N(C(=O)NC1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000178976400 533365610 /nfs/dbraw/zinc/36/56/10/533365610.db2.gz OIXFCRCRCKGEQU-HLIUYOAVSA-N 1 0 307.482 3.079 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000245613722 285409545 /nfs/dbraw/zinc/40/95/45/285409545.db2.gz UJZJPRNGGHYUFZ-IXDOHACOSA-N 1 0 308.853 3.100 10 0 DGAERO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000172168377 533400827 /nfs/dbraw/zinc/40/08/27/533400827.db2.gz ASUSMLBSSSCUHJ-UONOGXRCSA-N 1 0 304.434 3.499 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(OC(F)(F)F)cc1 ZINC000154645766 533418694 /nfs/dbraw/zinc/41/86/94/533418694.db2.gz QIZRSYILQHWCLE-YPMHNXCESA-N 1 0 302.340 3.330 10 0 DGAERO COC(=O)[C@]12CCC[C@@H]1CN(c1cc(C)[nH+]c3ccccc31)C2 ZINC000302157205 533639114 /nfs/dbraw/zinc/63/91/14/533639114.db2.gz IZOJSGNOXPDYGU-KUHUBIRLSA-N 1 0 310.397 3.323 10 0 DGAERO c1ccc2c(c1)COC[C@@H]2[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000417369597 285512543 /nfs/dbraw/zinc/51/25/43/285512543.db2.gz SJKNHZVFPRTWMH-MGTHKWJCSA-N 1 0 301.430 3.443 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089455202 545815268 /nfs/dbraw/zinc/81/52/68/545815268.db2.gz PVGWKNOMSWMADP-ZYHUDNBSSA-N 1 0 315.244 3.327 10 0 DGAERO [NH3+]CC1(Oc2ccc(Br)cc2Br)CC1 ZINC000300810865 400100218 /nfs/dbraw/zinc/10/02/18/400100218.db2.gz YDZLCUVZILWWJU-UHFFFAOYSA-N 1 0 321.012 3.082 10 0 DGAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC(C2CCCC2)CC1 ZINC000608502741 400082682 /nfs/dbraw/zinc/08/26/82/400082682.db2.gz RAQYKSYAGFOHLB-HXUWFJFHSA-N 1 0 317.473 3.466 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCn2ccccc2=O)o1 ZINC000608510807 400082805 /nfs/dbraw/zinc/08/28/05/400082805.db2.gz ULPKOPSFABXOKL-HOCLYGCPSA-N 1 0 300.402 3.223 10 0 DGAERO COc1ccc([C@](O)(c2ccc(C)cc2)[C@@H](C)C[NH+](C)C)cc1 ZINC000003642375 400083360 /nfs/dbraw/zinc/08/33/60/400083360.db2.gz WLPOSYYUWKQTOG-OXJNMPFZSA-N 1 0 313.441 3.437 10 0 DGAERO COc1ccc([C@@](O)(c2ccccc2C)[C@@H](C)C[NH+](C)C)cc1 ZINC000003642383 400084276 /nfs/dbraw/zinc/08/42/76/400084276.db2.gz XRTXNXNZOIVSSI-OXJNMPFZSA-N 1 0 313.441 3.437 10 0 DGAERO COc1cccc2c1OC1(CCC([NH3+])CC1)[C@@H]1CCCO[C@@H]21 ZINC000616578517 400176812 /nfs/dbraw/zinc/17/68/12/400176812.db2.gz MEYAWRNTQQOPJK-HUVBOYBFSA-N 1 0 303.402 3.195 10 0 DGAERO CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCC[NH2+]1 ZINC000616575874 400177113 /nfs/dbraw/zinc/17/71/13/400177113.db2.gz MVFOKLZYQZMERP-NRFANRHFSA-N 1 0 322.452 3.497 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cccc2cnccc21 ZINC000616585466 400178017 /nfs/dbraw/zinc/17/80/17/400178017.db2.gz QVHGQLKZBOCDSV-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO C[NH+](C)[C@@H]1CCN(CCNC(=O)OC(C)(C)C)c2ccccc21 ZINC000616588893 400179123 /nfs/dbraw/zinc/17/91/23/400179123.db2.gz YZYAECCKTAITNR-OAHLLOKOSA-N 1 0 319.449 3.024 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1ccc2nnccc2c1 ZINC000616593581 400180068 /nfs/dbraw/zinc/18/00/68/400180068.db2.gz DWRVZPPSJWCGMO-IBGZPJMESA-N 1 0 304.397 3.082 10 0 DGAERO CC(C)(C)OC(=O)Nc1cccc([C@H]2CCC[N@@H+]2CCO)c1 ZINC000616608504 400183045 /nfs/dbraw/zinc/18/30/45/400183045.db2.gz UOTYWAMPJSANBR-OAHLLOKOSA-N 1 0 306.406 3.163 10 0 DGAERO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328635970 400183571 /nfs/dbraw/zinc/18/35/71/400183571.db2.gz NVGXMKPZFCKPHA-IEZWGBDMSA-N 1 0 313.445 3.278 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2ccc3ccccc3n2)cc1 ZINC000616635099 400189196 /nfs/dbraw/zinc/18/91/96/400189196.db2.gz AFGQDPGRDILQER-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CCN(CC)C(=O)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000092592901 400184485 /nfs/dbraw/zinc/18/44/85/400184485.db2.gz QLFZHWALGAMCGG-MOPGFXCFSA-N 1 0 314.473 3.371 10 0 DGAERO C[C@H]1Cc2ccsc2[C@@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000584883859 400120660 /nfs/dbraw/zinc/12/06/60/400120660.db2.gz SEERTPPSSYVTKR-ZBEGNZNMSA-N 1 0 308.447 3.118 10 0 DGAERO C1CC1c1nnc(N2CCC[C@H]([NH+]3CCCCCC3)C2)s1 ZINC000091482240 400122871 /nfs/dbraw/zinc/12/28/71/400122871.db2.gz ZWLKMGMJOXKVCA-AWEZNQCLSA-N 1 0 306.479 3.260 10 0 DGAERO CC(C)c1noc(-c2ccnc(NC[C@H](C3CC3)[NH+](C)C)c2)n1 ZINC000091481405 400123094 /nfs/dbraw/zinc/12/30/94/400123094.db2.gz YJZGQXJTGGTXDK-CQSZACIVSA-N 1 0 315.421 3.007 10 0 DGAERO CC(C)(C)OC(=O)Nc1cccc([C@H]2CCCN(CC[NH3+])C2)c1 ZINC000616619917 400185934 /nfs/dbraw/zinc/18/59/34/400185934.db2.gz CQQSHMQRWGLJKO-HNNXBMFYSA-N 1 0 319.449 3.172 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616620647 400186053 /nfs/dbraw/zinc/18/60/53/400186053.db2.gz MGPSBUSEEJMRHV-OAHLLOKOSA-N 1 0 319.449 3.172 10 0 DGAERO CCOC(=O)c1cccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000616633283 400189350 /nfs/dbraw/zinc/18/93/50/400189350.db2.gz OMHRSTMCCHYVAD-LJQANCHMSA-N 1 0 324.424 3.010 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc(C2CC[NH+](CCO)CC2)cc1 ZINC000616620008 400186894 /nfs/dbraw/zinc/18/68/94/400186894.db2.gz UDHOTYZUBUSFLZ-UHFFFAOYSA-N 1 0 320.433 3.205 10 0 DGAERO CC(C)[N@@H+]1CCN[C@@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616632351 400187501 /nfs/dbraw/zinc/18/75/01/400187501.db2.gz NXUQXLVPEDZIDJ-MRXNPFEDSA-N 1 0 319.449 3.388 10 0 DGAERO CCOC(=O)c1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616635759 400189381 /nfs/dbraw/zinc/18/93/81/400189381.db2.gz MAPODLNDARPLHR-IBGZPJMESA-N 1 0 324.424 3.010 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](C(F)(F)F)C1 ZINC000616627118 400187832 /nfs/dbraw/zinc/18/78/32/400187832.db2.gz HDUFUMUIUKGBFW-NSHDSACASA-N 1 0 310.360 3.176 10 0 DGAERO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC(C)(C)C)cc1 ZINC000015372230 400164474 /nfs/dbraw/zinc/16/44/74/400164474.db2.gz AQWKBNUPHUEQQP-MRXNPFEDSA-N 1 0 304.434 3.137 10 0 DGAERO Cn1cc(CCC[NH2+]Cc2ccccc2OC(F)(F)F)cn1 ZINC000588688338 400223430 /nfs/dbraw/zinc/22/34/30/400223430.db2.gz SGKWMMWXWZOOEX-UHFFFAOYSA-N 1 0 313.323 3.041 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc3ccccc3c2)C1 ZINC000379292371 400256169 /nfs/dbraw/zinc/25/61/69/400256169.db2.gz VVZQNZWOUUSPCC-HUUCEWRRSA-N 1 0 322.330 3.334 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc3ccccc3c2)C1 ZINC000379292370 400256194 /nfs/dbraw/zinc/25/61/94/400256194.db2.gz VVZQNZWOUUSPCC-GJZGRUSLSA-N 1 0 322.330 3.334 10 0 DGAERO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CCOCC(C)C)[NH+](C)C ZINC000357856913 285898316 /nfs/dbraw/zinc/89/83/16/285898316.db2.gz TZIJHFSDUBCPIN-APWZRJJASA-N 1 0 320.477 3.165 10 0 DGAERO c1ccc(C[NH2+][C@@H]2CCCN(c3nc(C4CC4)ns3)C2)cc1 ZINC000092675802 400193730 /nfs/dbraw/zinc/19/37/30/400193730.db2.gz IYOPKAPDORGRBG-OAHLLOKOSA-N 1 0 314.458 3.174 10 0 DGAERO CC(C)c1nsc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)n1 ZINC000092675838 400193780 /nfs/dbraw/zinc/19/37/80/400193780.db2.gz SBLXLXZBUWDPQJ-HNNXBMFYSA-N 1 0 316.474 3.420 10 0 DGAERO Cc1ccc2ncnc(N(CC[NH+](C)C)Cc3ccco3)c2c1 ZINC000092682103 400194827 /nfs/dbraw/zinc/19/48/27/400194827.db2.gz FOUGHWGNRFDHIG-UHFFFAOYSA-N 1 0 310.401 3.099 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc2cccnc21 ZINC000616679431 400200272 /nfs/dbraw/zinc/20/02/72/400200272.db2.gz VPUIEXCUUUHWGA-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc2ncccc21 ZINC000616678433 400200646 /nfs/dbraw/zinc/20/06/46/400200646.db2.gz IBBTUQTYNXKDSW-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1cccc2ccncc21 ZINC000616678527 400200662 /nfs/dbraw/zinc/20/06/62/400200662.db2.gz IXBIHMHUOFSZRN-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccc2ccncc2c1 ZINC000616679035 400200679 /nfs/dbraw/zinc/20/06/79/400200679.db2.gz BJRJAPOPORNXNW-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc2cnccc21 ZINC000616678406 400200689 /nfs/dbraw/zinc/20/06/89/400200689.db2.gz HPFIQWJGYJIEKU-HXUWFJFHSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1C[C@H](c2cccc3cccnc32)Nc2ccccc21 ZINC000616685724 400203965 /nfs/dbraw/zinc/20/39/65/400203965.db2.gz UMOJAJFRXITJQV-QGZVFWFLSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@@H](c2ccc3ccccc3n2)Nc2ccccc21 ZINC000616691504 400205723 /nfs/dbraw/zinc/20/57/23/400205723.db2.gz CCHUVGPUBQXXFZ-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cccc2ncccc21 ZINC000616691693 400206722 /nfs/dbraw/zinc/20/67/22/400206722.db2.gz JJACXKXUMMIGBS-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO O=C(Cc1csc2ccccc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589140768 400264656 /nfs/dbraw/zinc/26/46/56/400264656.db2.gz DWJLZLLTNXGROS-OAHLLOKOSA-N 1 0 314.454 3.141 10 0 DGAERO Cc1cnc(CCN2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000401029807 400289905 /nfs/dbraw/zinc/28/99/05/400289905.db2.gz DFFKXDBRXZJCCK-UHFFFAOYSA-N 1 0 309.457 3.059 10 0 DGAERO COC1([C@H](C)[NH2+]CC(C)(C)c2ccc(C)cc2)CCOCC1 ZINC000453097000 292145159 /nfs/dbraw/zinc/14/51/59/292145159.db2.gz SREIHDVKUXIQRG-INIZCTEOSA-N 1 0 305.462 3.446 10 0 DGAERO CC[N@@H+]1CCC[C@@H](Nc2nc(-c3ccncc3)nc(C)c2C)C1 ZINC000113247004 400379226 /nfs/dbraw/zinc/37/92/26/400379226.db2.gz LOGYELASQVZJQI-MRXNPFEDSA-N 1 0 311.433 3.052 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cnccc1C)c1ccccc1 ZINC000611405662 400394640 /nfs/dbraw/zinc/39/46/40/400394640.db2.gz HHUXRFLNDLXWFI-QGZVFWFLSA-N 1 0 312.413 3.420 10 0 DGAERO CC(C)C[C@H]([NH3+])CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000034464654 400385731 /nfs/dbraw/zinc/38/57/31/400385731.db2.gz MXXMSOXVSGWYRR-VDZJLULYSA-N 1 0 304.478 3.365 10 0 DGAERO CC(C)COCCC(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000601958244 400386791 /nfs/dbraw/zinc/38/67/91/400386791.db2.gz SUVHPNHILMCZFL-UHFFFAOYSA-N 1 0 318.461 3.177 10 0 DGAERO Cc1ccc2nc(CSCC(=O)N[C@H](C)C(C)(C)C)cn2c1 ZINC000114690679 400388776 /nfs/dbraw/zinc/38/87/76/400388776.db2.gz DOOFSOLXVVCREW-CYBMUJFWSA-N 1 0 319.474 3.427 10 0 DGAERO Cc1cccc2c1CCN2C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106912436 400332025 /nfs/dbraw/zinc/33/20/25/400332025.db2.gz KMKYOXUKPSWFFR-LJQANCHMSA-N 1 0 308.425 3.057 10 0 DGAERO COC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000113034198 400378141 /nfs/dbraw/zinc/37/81/41/400378141.db2.gz BVCJSDGVJGPPLY-HXUWFJFHSA-N 1 0 310.441 3.019 10 0 DGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000041069386 400402863 /nfs/dbraw/zinc/40/28/63/400402863.db2.gz DFSHRDGVUQWRFC-ZIAGYGMSSA-N 1 0 316.214 3.371 10 0 DGAERO CC[C@H](C)[C@H](C(=O)N1CCN(C2CC2)CC1)c1ccccc1 ZINC000116737581 400411858 /nfs/dbraw/zinc/41/18/58/400411858.db2.gz SOVJBXBRKALOPG-YJBOKZPZSA-N 1 0 300.446 3.123 10 0 DGAERO CC(C)CO[C@@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590717394 400421578 /nfs/dbraw/zinc/42/15/78/400421578.db2.gz HAHUVPJFXRYNPX-ROUUACIJSA-N 1 0 324.509 3.162 10 0 DGAERO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000117762226 400421601 /nfs/dbraw/zinc/42/16/01/400421601.db2.gz GVDOIXJRUVUTKL-HNNXBMFYSA-N 1 0 316.445 3.080 10 0 DGAERO CC(C)(C)CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000121301601 400454062 /nfs/dbraw/zinc/45/40/62/400454062.db2.gz LRWCLVRXYXOMJO-UHFFFAOYSA-N 1 0 309.498 3.330 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000043722434 400477092 /nfs/dbraw/zinc/47/70/92/400477092.db2.gz QEAHBHFKDLATOQ-OAHLLOKOSA-N 1 0 319.449 3.166 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1cccc(Cl)c1 ZINC000126201682 400490830 /nfs/dbraw/zinc/49/08/30/400490830.db2.gz UADDMOOFSSKSSR-NSHDSACASA-N 1 0 306.837 3.295 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000044388817 400490871 /nfs/dbraw/zinc/49/08/71/400490871.db2.gz GAEZXZCNESQXNZ-HNNXBMFYSA-N 1 0 318.436 3.238 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)CSC(C)(C)C)c1cccc(F)c1 ZINC000074198318 400496421 /nfs/dbraw/zinc/49/64/21/400496421.db2.gz HNCYZQWSLCHITO-CQSZACIVSA-N 1 0 312.454 3.076 10 0 DGAERO CCc1ccc([C@H](CNC(=O)CCCSC)[NH+](C)C)cc1 ZINC000134521256 400578073 /nfs/dbraw/zinc/57/80/73/400578073.db2.gz GNMQELWRZPRUFJ-INIZCTEOSA-N 1 0 308.491 3.111 10 0 DGAERO CCC(CC)[N@H+](C[C@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000591470097 400530848 /nfs/dbraw/zinc/53/08/48/400530848.db2.gz AJAXULHGOLWXLW-LJQANCHMSA-N 1 0 304.478 3.132 10 0 DGAERO C[C@H]1C[C@H](c2ncc(Br)cc2Br)C[NH2+]1 ZINC000130125384 400534707 /nfs/dbraw/zinc/53/47/07/400534707.db2.gz CLMJVHAXIXFOSM-BQBZGAKWSA-N 1 0 320.028 3.072 10 0 DGAERO COc1ccc2c(c1)O[C@@H](C[NH2+]Cc1ccc(F)cc1)CC2 ZINC000137687983 400596695 /nfs/dbraw/zinc/59/66/95/400596695.db2.gz JFRQEVPTDLISJI-QGZVFWFLSA-N 1 0 301.361 3.318 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000148827230 400657395 /nfs/dbraw/zinc/65/73/95/400657395.db2.gz POJQCEIJSJPWMX-QFBILLFUSA-N 1 0 316.445 3.423 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000613238125 400680261 /nfs/dbraw/zinc/68/02/61/400680261.db2.gz YLPQEWPMDRQOLZ-WOVMCDHWSA-N 1 0 319.445 3.283 10 0 DGAERO CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)c1nccs1 ZINC000159121586 400729060 /nfs/dbraw/zinc/72/90/60/400729060.db2.gz VVBWERQSVBKKSB-UONOGXRCSA-N 1 0 324.494 3.014 10 0 DGAERO C[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1cccs1 ZINC000156732451 400713065 /nfs/dbraw/zinc/71/30/65/400713065.db2.gz ZMLODIQCRXNKPB-GDBMZVCRSA-N 1 0 316.470 3.141 10 0 DGAERO C[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1cccs1 ZINC000156732312 400713311 /nfs/dbraw/zinc/71/33/11/400713311.db2.gz ZMLODIQCRXNKPB-GOEBONIOSA-N 1 0 316.470 3.141 10 0 DGAERO CC[C@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1nccs1 ZINC000157214552 400716316 /nfs/dbraw/zinc/71/63/16/400716316.db2.gz LGSYEYLHAREFBV-KBPBESRZSA-N 1 0 324.494 3.015 10 0 DGAERO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000078606921 400813615 /nfs/dbraw/zinc/81/36/15/400813615.db2.gz BHNHFXOSFDDADT-UONOGXRCSA-N 1 0 320.433 3.213 10 0 DGAERO CC[NH+](CC)CCOCC(O)(c1ccccc1)c1ccccc1 ZINC000169342356 400757846 /nfs/dbraw/zinc/75/78/46/400757846.db2.gz TYEDOEIJJCYNEZ-UHFFFAOYSA-N 1 0 313.441 3.281 10 0 DGAERO COC(C)(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000171596824 400802460 /nfs/dbraw/zinc/80/24/60/400802460.db2.gz RXHYTGALQNJLKE-QGZVFWFLSA-N 1 0 318.461 3.001 10 0 DGAERO CC(C)[C@H](CNC(=O)NCCCC1CC1)[NH+]1CCC(C)CC1 ZINC000605598420 400878847 /nfs/dbraw/zinc/87/88/47/400878847.db2.gz MQSOCJXLLXFFTC-KRWDZBQOSA-N 1 0 309.498 3.232 10 0 DGAERO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C2(CO)CC2)cc1 ZINC000180053260 400881657 /nfs/dbraw/zinc/88/16/57/400881657.db2.gz KIHLUDMGJAXRMP-INIZCTEOSA-N 1 0 303.446 3.467 10 0 DGAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1cccc(Br)c1 ZINC000054686291 400835218 /nfs/dbraw/zinc/83/52/18/400835218.db2.gz QTSUNQZDVPZLSE-LSDHHAIUSA-N 1 0 306.203 3.053 10 0 DGAERO CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000619510963 400859372 /nfs/dbraw/zinc/85/93/72/400859372.db2.gz JAIWDKGYQPRURI-CVEARBPZSA-N 1 0 313.482 3.227 10 0 DGAERO Cc1cc(C)c(NC(=O)NCCNc2cc[nH+]cc2)c(Cl)c1 ZINC000605406106 400860271 /nfs/dbraw/zinc/86/02/71/400860271.db2.gz BHXUXEHWLVKJAN-UHFFFAOYSA-N 1 0 318.808 3.007 10 0 DGAERO Cc1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000175775351 400868775 /nfs/dbraw/zinc/86/87/75/400868775.db2.gz HPZBRVCUHMIBBY-UHFFFAOYSA-N 1 0 315.442 3.236 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCC(CC[NH+](C)C)CC2)o1 ZINC000056799006 400947820 /nfs/dbraw/zinc/94/78/20/400947820.db2.gz CTWGXFCWGLVQHZ-AWEZNQCLSA-N 1 0 307.438 3.022 10 0 DGAERO CC(C)(C)c1ccc(C[NH+]2CCC(C(=O)NC3CC3)CC2)cc1 ZINC000055914282 400901929 /nfs/dbraw/zinc/90/19/29/400901929.db2.gz BEBWEDJLSCQIQQ-UHFFFAOYSA-N 1 0 314.473 3.475 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000079982279 400911044 /nfs/dbraw/zinc/91/10/44/400911044.db2.gz YODBUNPPRCFJBJ-AWEZNQCLSA-N 1 0 321.440 3.230 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000358154856 285984946 /nfs/dbraw/zinc/98/49/46/285984946.db2.gz FDLRXVYFDXQRBM-UHFFFAOYSA-N 1 0 316.493 3.209 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000606500710 400922582 /nfs/dbraw/zinc/92/25/82/400922582.db2.gz CQDMYOFXFHNDJB-HOTGVXAUSA-N 1 0 305.466 3.128 10 0 DGAERO CC[NH+](CC)CCCNC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000606619192 400934045 /nfs/dbraw/zinc/93/40/45/400934045.db2.gz OWCKLGHBYXDKED-MRXNPFEDSA-N 1 0 305.466 3.130 10 0 DGAERO CN(CCCC[NH+](C)C)C(=O)c1cc(Cl)sc1Cl ZINC000607035358 401002563 /nfs/dbraw/zinc/00/25/63/401002563.db2.gz MJFAMZXMSZMSOX-UHFFFAOYSA-N 1 0 309.262 3.469 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4sccc4s3)C[C@@H]21 ZINC000230069860 400967936 /nfs/dbraw/zinc/96/79/36/400967936.db2.gz GPICWAIDOQCOPX-OUAUKWLOSA-N 1 0 306.456 3.162 10 0 DGAERO C[NH2+]CCOCCN(C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000629570758 400980366 /nfs/dbraw/zinc/98/03/66/400980366.db2.gz CKYILUOBNHUORR-NSHDSACASA-N 1 0 305.249 3.222 10 0 DGAERO C[C@H]1SCCN(Cc2ccncc2Br)[C@@H]1C ZINC000625176363 401050117 /nfs/dbraw/zinc/05/01/17/401050117.db2.gz JAOKNZIHGSQQHI-NXEZZACHSA-N 1 0 301.253 3.170 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000247382821 401053180 /nfs/dbraw/zinc/05/31/80/401053180.db2.gz LPAABCGQCHRXRT-GBESFXJTSA-N 1 0 314.473 3.466 10 0 DGAERO Cc1ccc(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000247404039 401053287 /nfs/dbraw/zinc/05/32/87/401053287.db2.gz MUUOJQZKMBCIRD-WMZOPIPTSA-N 1 0 302.462 3.177 10 0 DGAERO O[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000248560727 401072158 /nfs/dbraw/zinc/07/21/58/401072158.db2.gz JIVRYICZRCMIOB-CABCVRRESA-N 1 0 301.352 3.254 10 0 DGAERO c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CCOC2CCOCC2)cc1 ZINC000625362465 401111349 /nfs/dbraw/zinc/11/13/49/401111349.db2.gz ZORUBHGCQKAANG-MJGOQNOKSA-N 1 0 303.446 3.183 10 0 DGAERO CC[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(C)(C)c1ccccc1 ZINC000262249233 401115698 /nfs/dbraw/zinc/11/56/98/401115698.db2.gz CXVPIQMRMJDPCW-PVAVHDDUSA-N 1 0 302.462 3.377 10 0 DGAERO CC1=CCN(CC[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000358225523 286003332 /nfs/dbraw/zinc/00/33/32/286003332.db2.gz LAGFRGQRTSXGOK-GOSISDBHSA-N 1 0 324.472 3.234 10 0 DGAERO COC[C@@H](C)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000249958925 401090319 /nfs/dbraw/zinc/09/03/19/401090319.db2.gz WCBKZQZCRYDRMZ-UONOGXRCSA-N 1 0 308.491 3.484 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000607924410 401150637 /nfs/dbraw/zinc/15/06/37/401150637.db2.gz FKVCWZXZUXNWLR-GOSISDBHSA-N 1 0 314.473 3.345 10 0 DGAERO c1cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)n(-c2ccccc2)n1 ZINC000448346581 296603634 /nfs/dbraw/zinc/60/36/34/296603634.db2.gz ZFSVQFYBARNYME-IBGZPJMESA-N 1 0 324.472 3.323 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1cncc(F)c1 ZINC000358293237 286022531 /nfs/dbraw/zinc/02/25/31/286022531.db2.gz XWCOHIFXAQWXIE-DOMZBBRYSA-N 1 0 302.349 3.101 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)C2)cc1 ZINC000630074818 401177972 /nfs/dbraw/zinc/17/79/72/401177972.db2.gz SOTLWTSICACMAP-LSTHTHJFSA-N 1 0 314.473 3.450 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2c2ccccc2)C1 ZINC000062652557 401176886 /nfs/dbraw/zinc/17/68/86/401176886.db2.gz NEXHPGKNBXLESD-IRXDYDNUSA-N 1 0 301.434 3.017 10 0 DGAERO FC1(F)C[C@H]1CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000621379059 401192991 /nfs/dbraw/zinc/19/29/91/401192991.db2.gz LDBBHMVTLVBUMM-SNVBAGLBSA-N 1 0 303.736 3.246 10 0 DGAERO C[C@H](CO)C[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000608498418 401263704 /nfs/dbraw/zinc/26/37/04/401263704.db2.gz PCQOHDDIBDRNFG-VIFPVBQESA-N 1 0 306.631 3.163 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[N@@H+](C[C@H]1CCCO1)C1CCCC1)O2 ZINC000608498714 401263845 /nfs/dbraw/zinc/26/38/45/401263845.db2.gz HORQZGZUIRSDEM-SJORKVTESA-N 1 0 317.429 3.250 10 0 DGAERO C[C@H](CO)C[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000608498584 401264085 /nfs/dbraw/zinc/26/40/85/401264085.db2.gz WDSIIABWBIJQAV-VIFPVBQESA-N 1 0 306.631 3.163 10 0 DGAERO C[C@@H](CO)C[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000608498583 401264239 /nfs/dbraw/zinc/26/42/39/401264239.db2.gz WDSIIABWBIJQAV-SECBINFHSA-N 1 0 306.631 3.163 10 0 DGAERO O=C(C[NH2+]CCc1ccccc1)c1ccc(Br)cc1 ZINC000090549321 401268970 /nfs/dbraw/zinc/26/89/70/401268970.db2.gz XKQZYPXSIBSBCB-UHFFFAOYSA-N 1 0 318.214 3.464 10 0 DGAERO C[C@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000625827911 401228609 /nfs/dbraw/zinc/22/86/09/401228609.db2.gz WNDWOFXJEKVJOM-WCBMZHEXSA-N 1 0 302.205 3.255 10 0 DGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000625827575 401228843 /nfs/dbraw/zinc/22/88/43/401228843.db2.gz UQTVJFCACMWTFU-NWDGAFQWSA-N 1 0 302.205 3.255 10 0 DGAERO c1cc(-c2cn([C@@H]3CC[N@@H+](Cc4ccccc4)C3)nn2)cs1 ZINC000630591323 401293152 /nfs/dbraw/zinc/29/31/52/401293152.db2.gz CYKIJBSQPPMJLC-MRXNPFEDSA-N 1 0 310.426 3.454 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)c2ccccc21 ZINC000621753320 401295209 /nfs/dbraw/zinc/29/52/09/401295209.db2.gz MDZRKUGHSJEXSN-PKOBYXMFSA-N 1 0 318.461 3.261 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c2ccccc21 ZINC000621764806 401297829 /nfs/dbraw/zinc/29/78/29/401297829.db2.gz MORDSGKOAJONRC-BFYDXBDKSA-N 1 0 316.445 3.420 10 0 DGAERO c1cc(CNC2CC[NH+](C3CCCC3)CC2)n(CC2CCC2)n1 ZINC000631083224 401387822 /nfs/dbraw/zinc/38/78/22/401387822.db2.gz KORGPHHTTCTRBK-UHFFFAOYSA-N 1 0 316.493 3.180 10 0 DGAERO O=S1(=O)CCC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000634957152 401389100 /nfs/dbraw/zinc/38/91/00/401389100.db2.gz DPRSIODJZVTRBI-NSHDSACASA-N 1 0 322.257 3.050 10 0 DGAERO c1ccc(-c2noc([C@@H]3CCCCN3CC34CC(C3)C[NH2+]4)n2)cc1 ZINC000634994294 401397841 /nfs/dbraw/zinc/39/78/41/401397841.db2.gz YCTCPENDMXAJKV-RCDNUKIMSA-N 1 0 324.428 3.016 10 0 DGAERO C[C@@H]1CN(Cc2cc(Br)c(Cl)s2)C[C@@H]1C[NH3+] ZINC000634998378 401398746 /nfs/dbraw/zinc/39/87/46/401398746.db2.gz DYXWRSZALQJLQE-SFYZADRCSA-N 1 0 323.687 3.191 10 0 DGAERO c1ccc2c(c1)OCC[C@@H]2C[NH2+]Cc1cccc2c1CCOC2 ZINC000631244219 401435440 /nfs/dbraw/zinc/43/54/40/401435440.db2.gz NYSVECZKIMXONC-MRXNPFEDSA-N 1 0 309.409 3.415 10 0 DGAERO c1cc(N2CCCC2)ncc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000631255382 401439108 /nfs/dbraw/zinc/43/91/08/401439108.db2.gz PWCJSCBEUNLZDI-IEBWSBKVSA-N 1 0 315.461 3.119 10 0 DGAERO c1cnn(-c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)cc2)c1 ZINC000631255280 401439225 /nfs/dbraw/zinc/43/92/25/401439225.db2.gz UAMURHFHVMXKJI-RBUKOAKNSA-N 1 0 311.429 3.310 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623377852 401504089 /nfs/dbraw/zinc/50/40/89/401504089.db2.gz MMUFWCWLFAFZOH-MRVPVSSYSA-N 1 0 308.166 3.099 10 0 DGAERO Brc1cc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)cs1 ZINC000631887254 401563704 /nfs/dbraw/zinc/56/37/04/401563704.db2.gz MQFDOUUVQOJIEN-RYUDHWBXSA-N 1 0 315.280 3.085 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccsc1Br ZINC000623724546 401572089 /nfs/dbraw/zinc/57/20/89/401572089.db2.gz JITPIDJZHAHQOA-PKIKSRDPSA-N 1 0 304.253 3.412 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000623744200 401575132 /nfs/dbraw/zinc/57/51/32/401575132.db2.gz QVSKEZSJRYJQNK-SSZFMOIBSA-N 1 0 300.446 3.328 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1Br ZINC000623754801 401576445 /nfs/dbraw/zinc/57/64/45/401576445.db2.gz SOCZIEYZOHZPGJ-ZFWWWQNUSA-N 1 0 310.235 3.415 10 0 DGAERO c1nc2c(s1)CCC[C@@H]2[NH2+]CCc1cnc(C2CC2)nc1 ZINC000623925159 401600637 /nfs/dbraw/zinc/60/06/37/401600637.db2.gz ZCHUFFPTMTXTDV-ZDUSSCGKSA-N 1 0 300.431 3.020 10 0 DGAERO c1nn2c(c1NC1CC[NH+](CCc3ccccc3)CC1)CCCC2 ZINC000631713356 401542700 /nfs/dbraw/zinc/54/27/00/401542700.db2.gz NQKVZGTUMFTXCW-UHFFFAOYSA-N 1 0 324.472 3.338 10 0 DGAERO c1ccc(OCCCC[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000628454002 401598593 /nfs/dbraw/zinc/59/85/93/401598593.db2.gz GXWFAJIVQGRSLY-SFHVURJKSA-N 1 0 302.462 3.452 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+]C[C@H]1CCOc3ccccc31)C2 ZINC000623602271 401553947 /nfs/dbraw/zinc/55/39/47/401553947.db2.gz JFENOJCBZHXYCM-AEFFLSMTSA-N 1 0 309.409 3.284 10 0 DGAERO c1ccc2c(c1)C=C(C[NH2+]C[C@@H]1Cc3ccccc3CO1)CO2 ZINC000623602613 401554235 /nfs/dbraw/zinc/55/42/35/401554235.db2.gz XUWKWSJCQDYGJO-IBGZPJMESA-N 1 0 307.393 3.194 10 0 DGAERO Brc1cccc(C2(C[NH2+]Cc3cn[nH]c3)CCC2)c1 ZINC000624214941 401639996 /nfs/dbraw/zinc/63/99/96/401639996.db2.gz KUZIIIOCZDNYAX-UHFFFAOYSA-N 1 0 320.234 3.384 10 0 DGAERO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cncc(Br)c1 ZINC000624224215 401641003 /nfs/dbraw/zinc/64/10/03/401641003.db2.gz QASYIJCANOPUEU-HERUPUMHSA-N 1 0 311.223 3.062 10 0 DGAERO CSc1ccc(C)c(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358485993 286074750 /nfs/dbraw/zinc/07/47/50/286074750.db2.gz JPCTYEVXVAYBGX-UHFFFAOYSA-N 1 0 319.474 3.490 10 0 DGAERO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncc(Br)cc2F)C1 ZINC000624385557 401657231 /nfs/dbraw/zinc/65/72/31/401657231.db2.gz GUAGDQHVHQVQQU-SNVBAGLBSA-N 1 0 316.218 3.268 10 0 DGAERO c1coc(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c1 ZINC000624477134 401664111 /nfs/dbraw/zinc/66/41/11/401664111.db2.gz HBONZDHTIQRVRC-MRXNPFEDSA-N 1 0 305.381 3.384 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(Cc2cccs2)C2CC2)CC1 ZINC000358669952 286120330 /nfs/dbraw/zinc/12/03/30/286120330.db2.gz SFOADXLBTUOYKG-UHFFFAOYSA-N 1 0 319.474 3.074 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@H]1CCN(C2CC2)C1 ZINC000358758773 286145465 /nfs/dbraw/zinc/14/54/65/286145465.db2.gz YTOOAJZBLOKRKQ-HNAYVOBHSA-N 1 0 322.456 3.076 10 0 DGAERO C[C@@H](Cc1nnc(SC[C@H](C)[NH+](C)C)o1)c1ccccc1 ZINC000358861150 286171630 /nfs/dbraw/zinc/17/16/30/286171630.db2.gz MOSIKXYGHDRYNN-STQMWFEESA-N 1 0 305.447 3.458 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000358991248 286208349 /nfs/dbraw/zinc/20/83/49/286208349.db2.gz XPKNYMULAMWDJA-ZWKOTPCHSA-N 1 0 324.509 3.066 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000358991245 286208356 /nfs/dbraw/zinc/20/83/56/286208356.db2.gz XPKNYMULAMWDJA-QZTJIDSGSA-N 1 0 324.509 3.066 10 0 DGAERO COc1cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc(OC)c1 ZINC000092785663 286218739 /nfs/dbraw/zinc/21/87/39/286218739.db2.gz AGGLKVVPJQBRFW-KRWDZBQOSA-N 1 0 318.461 3.154 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000359264221 286271535 /nfs/dbraw/zinc/27/15/35/286271535.db2.gz ANQWIIJCZNFKRR-UHFFFAOYSA-N 1 0 313.445 3.015 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CCSCC2)C12CCOCC2 ZINC000187564244 286287669 /nfs/dbraw/zinc/28/76/69/286287669.db2.gz BCWMTFAUHSNRNU-NUEKZKHPSA-N 1 0 313.507 3.082 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCSCC)C12CCOCC2 ZINC000186366472 286287959 /nfs/dbraw/zinc/28/79/59/286287959.db2.gz QTOKETSECINHJJ-RRFJBIMHSA-N 1 0 301.496 3.082 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C12CCOCC2 ZINC000186208876 286288242 /nfs/dbraw/zinc/28/82/42/286288242.db2.gz NSBMTZSWGZSDJW-IAOVAPTHSA-N 1 0 307.409 3.451 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nc(CC)nc32)C1(CC)CC ZINC000245866875 286293305 /nfs/dbraw/zinc/29/33/05/286293305.db2.gz IUGUABIVCNRFSI-RRFJBIMHSA-N 1 0 320.481 3.249 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)NCc1ccc2cc[nH]c2n1 ZINC000359427800 286306189 /nfs/dbraw/zinc/30/61/89/286306189.db2.gz PRCSAJVZADYPQS-UHFFFAOYSA-N 1 0 316.449 3.081 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000359580180 286340666 /nfs/dbraw/zinc/34/06/66/286340666.db2.gz UYGWMHVFNMOPTD-HIFRSBDPSA-N 1 0 324.852 3.098 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)Nc1cn(C)nc1C(C)C ZINC000361369929 286662717 /nfs/dbraw/zinc/66/27/17/286662717.db2.gz OCTYGQUMTRRVJH-UHFFFAOYSA-N 1 0 308.470 3.384 10 0 DGAERO c1cc(C[NH2+]CCCC2CCOCC2)c2c(c1)OCCCO2 ZINC000361427386 286671721 /nfs/dbraw/zinc/67/17/21/286671721.db2.gz UEGDQDAEYSDABG-UHFFFAOYSA-N 1 0 305.418 3.144 10 0 DGAERO CCS[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000247350830 286711104 /nfs/dbraw/zinc/71/11/04/286711104.db2.gz PBOGQOKKUKSFAS-RBSFLKMASA-N 1 0 315.527 3.080 10 0 DGAERO COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000362131231 286772062 /nfs/dbraw/zinc/77/20/62/286772062.db2.gz WGYSCWPZLGLKSN-ZWKOTPCHSA-N 1 0 322.408 3.078 10 0 DGAERO CCN(C(=O)CC1CC[NH+](C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000362573250 286831232 /nfs/dbraw/zinc/83/12/32/286831232.db2.gz QIIPPZGUAFPABR-CQSZACIVSA-N 1 0 306.425 3.467 10 0 DGAERO c1n[nH]cc1C1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000363148879 286898666 /nfs/dbraw/zinc/89/86/66/286898666.db2.gz RTWWARNEXRBPCQ-UHFFFAOYSA-N 1 0 310.445 3.042 10 0 DGAERO O[C@@H](CCc1ccccc1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000363778544 286957260 /nfs/dbraw/zinc/95/72/60/286957260.db2.gz NIYVUQHGYYGKHA-FQEVSTJZSA-N 1 0 317.473 3.119 10 0 DGAERO CC(=O)N1CC[N@H+](Cc2ccc(C)nc2C)CC12CCCCC2 ZINC000364360372 287018114 /nfs/dbraw/zinc/01/81/14/287018114.db2.gz VSOCHGYLXDBIFF-UHFFFAOYSA-N 1 0 315.461 3.065 10 0 DGAERO CCOCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000364438818 287026689 /nfs/dbraw/zinc/02/66/89/287026689.db2.gz BVWJGPCPHATPLR-IEBWSBKVSA-N 1 0 304.478 3.303 10 0 DGAERO CN(C(=O)CSc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000364641633 287047874 /nfs/dbraw/zinc/04/78/74/287047874.db2.gz NRHJARNUOJZZPK-GFCCVEGCSA-N 1 0 312.866 3.033 10 0 DGAERO CCn1cc([C@H](C)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)cn1 ZINC000167489615 164607494 /nfs/dbraw/zinc/60/74/94/164607494.db2.gz VBYASWFSXXDRBI-JSGCOSHPSA-N 1 0 320.387 3.111 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](C)c1ccccc1F ZINC000174989155 164745340 /nfs/dbraw/zinc/74/53/40/164745340.db2.gz KMSFBHMGQZSTSX-BZUAXINKSA-N 1 0 318.436 3.405 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(CC(C)C)n1 ZINC000175046128 164745820 /nfs/dbraw/zinc/74/58/20/164745820.db2.gz OOPPOJKUJXZNNI-ZIAGYGMSSA-N 1 0 321.490 3.040 10 0 DGAERO CCC1(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCC1 ZINC000175932569 164770177 /nfs/dbraw/zinc/77/01/77/164770177.db2.gz IRRNBAFWRMLVSS-UHFFFAOYSA-N 1 0 315.461 3.414 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)CC1 ZINC000179138259 164853122 /nfs/dbraw/zinc/85/31/22/164853122.db2.gz WGGJFKLTYOGSKP-IBGZPJMESA-N 1 0 324.424 3.017 10 0 DGAERO CC(C)[C@@H](CSc1ccccc1)[NH2+]CCCN1CCCC1=O ZINC000180007533 164872526 /nfs/dbraw/zinc/87/25/26/164872526.db2.gz JAWFIRZEQLPMHZ-QGZVFWFLSA-N 1 0 320.502 3.405 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc2c(c1)OCO2 ZINC000180398795 164881919 /nfs/dbraw/zinc/88/19/19/164881919.db2.gz KUXNRUWBHYXKJK-DOMZBBRYSA-N 1 0 324.380 3.192 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc2c(c1)OCO2 ZINC000180398739 164882540 /nfs/dbraw/zinc/88/25/40/164882540.db2.gz KUXNRUWBHYXKJK-SWLSCSKDSA-N 1 0 324.380 3.192 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000180618673 164889673 /nfs/dbraw/zinc/88/96/73/164889673.db2.gz DDDAGKIZSAKSGQ-KDOFPFPSSA-N 1 0 324.472 3.385 10 0 DGAERO COCc1ccsc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000180865235 164896603 /nfs/dbraw/zinc/89/66/03/164896603.db2.gz VZZYWNFKZPTTIV-SUMWQHHRSA-N 1 0 324.490 3.135 10 0 DGAERO Cc1cc(C)c(C(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)n1 ZINC000181922531 164924913 /nfs/dbraw/zinc/92/49/13/164924913.db2.gz UZHQTFDDZNRWSC-UHFFFAOYSA-N 1 0 321.852 3.052 10 0 DGAERO CC[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000183016708 164946124 /nfs/dbraw/zinc/94/61/24/164946124.db2.gz QHKUKMWYJDIZKA-RLFYNMQTSA-N 1 0 318.461 3.383 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000185332797 165000941 /nfs/dbraw/zinc/00/09/41/165000941.db2.gz KIXVAJITOXMLBO-OAHLLOKOSA-N 1 0 306.381 3.320 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)[C@@H]1COc2ccccc21 ZINC000185588611 165008978 /nfs/dbraw/zinc/00/89/78/165008978.db2.gz BNPVHYBIYLLTFQ-NUTKFTJISA-N 1 0 301.361 3.013 10 0 DGAERO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000185824867 165017603 /nfs/dbraw/zinc/01/76/03/165017603.db2.gz NDXONHSAJLBCFL-YATRRXNKSA-N 1 0 300.377 3.304 10 0 DGAERO C[C@]1(C(N)=O)CCCCN1Cc1ccc(Cl)c2cccnc12 ZINC000185885004 165019987 /nfs/dbraw/zinc/01/99/87/165019987.db2.gz MRKJBJOERZMRIZ-QGZVFWFLSA-N 1 0 317.820 3.118 10 0 DGAERO C[C@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1cc2ccccc2o1 ZINC000186504850 165046403 /nfs/dbraw/zinc/04/64/03/165046403.db2.gz HCJQHEKNESNNPF-DZGCQCFKSA-N 1 0 312.413 3.279 10 0 DGAERO O=C(CCc1ccc(Cl)s1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186511156 165046674 /nfs/dbraw/zinc/04/66/74/165046674.db2.gz KTUYNUGMWGHZPO-LLVKDONJSA-N 1 0 312.866 3.077 10 0 DGAERO C[C@@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1cc2ccccc2o1 ZINC000186504864 165046944 /nfs/dbraw/zinc/04/69/44/165046944.db2.gz HCJQHEKNESNNPF-UKRRQHHQSA-N 1 0 312.413 3.279 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)c2ncc(C)s2)C12CCOCC2 ZINC000186504265 165046963 /nfs/dbraw/zinc/04/69/63/165046963.db2.gz VDMCHVIYIUPEDV-VHDGCEQUSA-N 1 0 324.490 3.119 10 0 DGAERO CSc1ccc(C)c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186555069 165050606 /nfs/dbraw/zinc/05/06/06/165050606.db2.gz KTNDRAVREMMWJB-ZDUSSCGKSA-N 1 0 304.459 3.074 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186551897 165050640 /nfs/dbraw/zinc/05/06/40/165050640.db2.gz OXAAHAGLCLOZIR-LLVKDONJSA-N 1 0 324.877 3.419 10 0 DGAERO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)nc2C)C1 ZINC000186763058 165060147 /nfs/dbraw/zinc/06/01/47/165060147.db2.gz NKSAGQWKFFBBJS-QAPCUYQASA-N 1 0 317.477 3.215 10 0 DGAERO CC1(C)CC[C@@H](C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)O1 ZINC000187011202 165072703 /nfs/dbraw/zinc/07/27/03/165072703.db2.gz QQJHDHOJASIPGU-KRWDZBQOSA-N 1 0 322.493 3.105 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(Cl)cc1F ZINC000187041500 165073528 /nfs/dbraw/zinc/07/35/28/165073528.db2.gz LIKCSVNABKHBGW-LLVKDONJSA-N 1 0 315.820 3.009 10 0 DGAERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000187181770 165081415 /nfs/dbraw/zinc/08/14/15/165081415.db2.gz YFRVJMRWBZPOQU-FZKQIMNGSA-N 1 0 323.383 3.165 10 0 DGAERO Cc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C)n1 ZINC000187249802 165083156 /nfs/dbraw/zinc/08/31/56/165083156.db2.gz KUWYBJISIFRFFN-MAUKXSAKSA-N 1 0 311.429 3.120 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C)n1 ZINC000187300541 165084702 /nfs/dbraw/zinc/08/47/02/165084702.db2.gz VIQZATBYAAPPSC-INIZCTEOSA-N 1 0 311.433 3.004 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCSCC1)c1ccc(-n2ccnn2)cc1 ZINC000187401224 165089632 /nfs/dbraw/zinc/08/96/32/165089632.db2.gz BAQFFOHXIGEHIF-KBPBESRZSA-N 1 0 316.474 3.450 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)c1cnn(C)c1 ZINC000187702853 165100557 /nfs/dbraw/zinc/10/05/57/165100557.db2.gz WKDFFPDJSZCOHX-QFBILLFUSA-N 1 0 312.461 3.125 10 0 DGAERO C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)c1cnn(C)c1 ZINC000187702815 165101418 /nfs/dbraw/zinc/10/14/18/165101418.db2.gz WKDFFPDJSZCOHX-LPHOPBHVSA-N 1 0 312.461 3.125 10 0 DGAERO CCc1noc(C2CCC([NH2+]C[C@H]3CCC(C)(C)O3)CC2)n1 ZINC000187843452 165103183 /nfs/dbraw/zinc/10/31/83/165103183.db2.gz VJXKDQKESUBINO-JXQTWKCFSA-N 1 0 307.438 3.205 10 0 DGAERO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000188089419 165113698 /nfs/dbraw/zinc/11/36/98/165113698.db2.gz AASILAOGDQNTDN-STQMWFEESA-N 1 0 302.397 3.035 10 0 DGAERO C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccc2ccccc2c1 ZINC000188658141 165132609 /nfs/dbraw/zinc/13/26/09/165132609.db2.gz BCFNJFPZCSBSQC-OAHLLOKOSA-N 1 0 308.425 3.250 10 0 DGAERO C/C(=C\C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1 ZINC000188659720 165132693 /nfs/dbraw/zinc/13/26/93/165132693.db2.gz FVTWJRHCEKOZNG-MDWZMJQESA-N 1 0 310.372 3.149 10 0 DGAERO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000188731669 165134392 /nfs/dbraw/zinc/13/43/92/165134392.db2.gz NYYKRBVYELZWBC-SJORKVTESA-N 1 0 307.459 3.009 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(F)c(F)cc1Cl ZINC000188751737 165136536 /nfs/dbraw/zinc/13/65/36/165136536.db2.gz PNKLAECLWBUMNQ-UHFFFAOYSA-N 1 0 322.742 3.151 10 0 DGAERO CC(C)NC(=O)CCN1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189485569 165164029 /nfs/dbraw/zinc/16/40/29/165164029.db2.gz DYHRHADCFZXIRK-XJKSGUPXSA-N 1 0 324.852 3.017 10 0 DGAERO C[C@H](NC(=O)NCc1ccc(C2CC2)cc1)C(C)(C)C[NH+](C)C ZINC000189510914 165164610 /nfs/dbraw/zinc/16/46/10/165164610.db2.gz GBRJHABYDJWFCD-AWEZNQCLSA-N 1 0 317.477 3.340 10 0 DGAERO CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1csc(C)n1 ZINC000189783322 165176460 /nfs/dbraw/zinc/17/64/60/165176460.db2.gz XUIKUNGRXRXSAK-GOEBONIOSA-N 1 0 321.490 3.380 10 0 DGAERO CC(C)(C)n1cc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000189948979 165183104 /nfs/dbraw/zinc/18/31/04/165183104.db2.gz XHDQYSOSOJTNEA-WDEREUQCSA-N 1 0 304.360 3.244 10 0 DGAERO CC(C)[NH2+]CCN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000189932425 165183121 /nfs/dbraw/zinc/18/31/21/165183121.db2.gz ZDWCKLWTRGGOAZ-OAHLLOKOSA-N 1 0 316.367 3.077 10 0 DGAERO Cc1csc2c1ncnc2NC[C@@H](c1ccco1)[NH+](C)C ZINC000189966811 165184303 /nfs/dbraw/zinc/18/43/03/165184303.db2.gz FHXGEDVEBLZXPP-NSHDSACASA-N 1 0 302.403 3.308 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000190183294 165191930 /nfs/dbraw/zinc/19/19/30/165191930.db2.gz KVJREVDMWKZGIL-GFCCVEGCSA-N 1 0 321.490 3.008 10 0 DGAERO COc1ccnc(CN2CC=C(c3cccs3)CC2)c1OC ZINC000190580649 165208338 /nfs/dbraw/zinc/20/83/38/165208338.db2.gz MWDDNMQNMOWLRD-UHFFFAOYSA-N 1 0 316.426 3.450 10 0 DGAERO CCc1nnc(C2CC[NH+]([C@H](C)c3ccccc3F)CC2)[nH]1 ZINC000190685118 165210902 /nfs/dbraw/zinc/21/09/02/165210902.db2.gz GPUMOJPKVGDKBD-GFCCVEGCSA-N 1 0 302.397 3.447 10 0 DGAERO CCc1nnc(C2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)[nH]1 ZINC000190706491 165212282 /nfs/dbraw/zinc/21/22/82/165212282.db2.gz GVTHXLOBSOGSHE-INIZCTEOSA-N 1 0 314.408 3.373 10 0 DGAERO COc1ccc(CC[NH2+]Cc2cccc(OC)n2)c(Cl)c1 ZINC000191325843 165244325 /nfs/dbraw/zinc/24/43/25/165244325.db2.gz ZRZTZJLBNAKLPW-UHFFFAOYSA-N 1 0 306.793 3.085 10 0 DGAERO CCN(C)c1ccc(C[N@H+](C)CCc2ccccc2OC)cn1 ZINC000191327947 165244734 /nfs/dbraw/zinc/24/47/34/165244734.db2.gz QXUXUFQSOYFSAF-UHFFFAOYSA-N 1 0 313.445 3.221 10 0 DGAERO Cc1cnn([C@H]2CCCN(Cc3ccc(Br)o3)C2)c1 ZINC000191344224 165244774 /nfs/dbraw/zinc/24/47/74/165244774.db2.gz JWRMMXIRGALLRV-LBPRGKRZSA-N 1 0 324.222 3.384 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cn1 ZINC000191482786 165252285 /nfs/dbraw/zinc/25/22/85/165252285.db2.gz RXUNJEWFPHYKLY-PBHICJAKSA-N 1 0 311.429 3.192 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cn1 ZINC000191493320 165254659 /nfs/dbraw/zinc/25/46/59/165254659.db2.gz ARCSAXUQVMFRBT-AZUAARDMSA-N 1 0 324.472 3.073 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191596412 165260659 /nfs/dbraw/zinc/26/06/59/165260659.db2.gz UXKUUMHSTDBGJR-GOSISDBHSA-N 1 0 315.461 3.190 10 0 DGAERO O=C1CCCN1CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000193482067 165327424 /nfs/dbraw/zinc/32/74/24/165327424.db2.gz HKSJYEGJYLGNFN-QGZVFWFLSA-N 1 0 306.837 3.393 10 0 DGAERO CC(C)[NH2+]CCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000193463829 165327514 /nfs/dbraw/zinc/32/75/14/165327514.db2.gz IHSGTFJEAVVDTI-CQSZACIVSA-N 1 0 307.507 3.199 10 0 DGAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000194766122 165355366 /nfs/dbraw/zinc/35/53/66/165355366.db2.gz MBWIVTXUBHCOIF-IBGZPJMESA-N 1 0 314.473 3.200 10 0 DGAERO COc1cc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)ccc1O ZINC000195004103 165359734 /nfs/dbraw/zinc/35/97/34/165359734.db2.gz NHZZXLWPMJQSAF-LPHOPBHVSA-N 1 0 313.397 3.268 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C2)n1 ZINC000195333494 165365367 /nfs/dbraw/zinc/36/53/67/165365367.db2.gz OCWTZZVFNDHWEP-HNNXBMFYSA-N 1 0 323.506 3.276 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)n1 ZINC000195324443 165365922 /nfs/dbraw/zinc/36/59/22/165365922.db2.gz BOMOKMAXSUUKMI-DLBZAZTESA-N 1 0 316.470 3.235 10 0 DGAERO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000195350953 165367750 /nfs/dbraw/zinc/36/77/50/165367750.db2.gz IZYRHKGCJDDSIJ-OAHLLOKOSA-N 1 0 316.426 3.309 10 0 DGAERO CC(C)OCCN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195399238 165369461 /nfs/dbraw/zinc/36/94/61/165369461.db2.gz DYPBZEKMNDKYGK-CYBMUJFWSA-N 1 0 312.479 3.239 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](Cc3cn4ccccc4n3)C2)n1 ZINC000195441237 165370534 /nfs/dbraw/zinc/37/05/34/165370534.db2.gz AAVRADJMSLCQLC-CQSZACIVSA-N 1 0 312.442 3.479 10 0 DGAERO Cc1ncc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000195439266 165370592 /nfs/dbraw/zinc/37/05/92/165370592.db2.gz QZLZJQZIUSFSMC-UHFFFAOYSA-N 1 0 301.415 3.300 10 0 DGAERO Cn1nccc1C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000195503479 165371611 /nfs/dbraw/zinc/37/16/11/165371611.db2.gz KKRBTNFJRQBDNW-UHFFFAOYSA-N 1 0 319.836 3.332 10 0 DGAERO COc1ccc(Cl)cc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502469 165372132 /nfs/dbraw/zinc/37/21/32/165372132.db2.gz BOKUKRHZXXFKEB-UHFFFAOYSA-N 1 0 319.836 3.462 10 0 DGAERO CCOc1ccc(OCC[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195505349 165372154 /nfs/dbraw/zinc/37/21/54/165372154.db2.gz GPZVWOFGZCSGOB-UHFFFAOYSA-N 1 0 315.417 3.067 10 0 DGAERO CC[N@H+](CCNc1ncc(Cl)cc1Br)C1CC1 ZINC000218969296 165378058 /nfs/dbraw/zinc/37/80/58/165378058.db2.gz SOELPKZNYJMICM-UHFFFAOYSA-N 1 0 318.646 3.394 10 0 DGAERO Fc1cc(Br)cc(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000220612158 165379806 /nfs/dbraw/zinc/37/98/06/165379806.db2.gz VITSFJZLUMTZJF-SNVBAGLBSA-N 1 0 302.187 3.104 10 0 DGAERO COc1cc(C[NH2+]CC2(C)CCC2)cc(Br)c1O ZINC000226787921 165385800 /nfs/dbraw/zinc/38/58/00/165385800.db2.gz GCOMJQPAPBBBHN-UHFFFAOYSA-N 1 0 314.223 3.443 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000228593531 165390718 /nfs/dbraw/zinc/39/07/18/165390718.db2.gz AAWKPINYYSEBOP-AEGPPILISA-N 1 0 313.438 3.141 10 0 DGAERO Fc1ccc(Br)c(F)c1C[NH2+]CC[C@@H]1CCOC1 ZINC000230312423 165394724 /nfs/dbraw/zinc/39/47/24/165394724.db2.gz YNBJOQOERMQEPJ-SECBINFHSA-N 1 0 320.177 3.244 10 0 DGAERO C[C@@H]([NH2+]Cc1c(F)ccc(Br)c1F)[C@@H]1CCCO1 ZINC000230306719 165395095 /nfs/dbraw/zinc/39/50/95/165395095.db2.gz IVSWFRWGKALXJL-PELKAZGASA-N 1 0 320.177 3.384 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000245896650 165489775 /nfs/dbraw/zinc/48/97/75/165489775.db2.gz RFTZLPIGIUZSHU-ULQDDVLXSA-N 1 0 300.450 3.027 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246045853 165499028 /nfs/dbraw/zinc/49/90/28/165499028.db2.gz UAGQZLGCMXQAHN-VHDGCEQUSA-N 1 0 322.399 3.059 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCCN2CC[NH+]2CCCCC2)c1 ZINC000248244648 165612804 /nfs/dbraw/zinc/61/28/04/165612804.db2.gz LDACBNHZJNOYAK-SFHVURJKSA-N 1 0 318.461 3.327 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccsc1Cl ZINC000249008952 165662628 /nfs/dbraw/zinc/66/26/28/165662628.db2.gz WOMYTEGSNXKTCP-MNOVXSKESA-N 1 0 313.854 3.492 10 0 DGAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000261608660 165721802 /nfs/dbraw/zinc/72/18/02/165721802.db2.gz AIQMCJBZJRLIJK-HUUCEWRRSA-N 1 0 316.445 3.207 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261678302 165732302 /nfs/dbraw/zinc/73/23/02/165732302.db2.gz CJAUXCAZXMWYOT-BBRMVZONSA-N 1 0 304.434 3.063 10 0 DGAERO C[NH2+][C@@H](C)Cc1noc(-c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000261804273 165750243 /nfs/dbraw/zinc/75/02/43/165750243.db2.gz PJZSSWKMUQLQJI-LBPRGKRZSA-N 1 0 305.381 3.458 10 0 DGAERO CC(C)[C@H](Sc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261811865 165751894 /nfs/dbraw/zinc/75/18/94/165751894.db2.gz HMMSLTODTPAVBD-CVEARBPZSA-N 1 0 320.502 3.389 10 0 DGAERO CC[C@@H](OC1CCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261812127 165752153 /nfs/dbraw/zinc/75/21/53/165752153.db2.gz WYJRQQHEBKPMFC-MRXNPFEDSA-N 1 0 320.408 3.148 10 0 DGAERO C[NH2+][C@H](C)Cc1noc(-c2cccc(-c3cscn3)c2)n1 ZINC000261907355 165763294 /nfs/dbraw/zinc/76/32/94/165763294.db2.gz ZFLUKNADFIOWTF-SNVBAGLBSA-N 1 0 300.387 3.011 10 0 DGAERO C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000262064860 165783534 /nfs/dbraw/zinc/78/35/34/165783534.db2.gz IWNFGHJJBILACJ-YUMQZZPRSA-N 1 0 319.207 3.165 10 0 DGAERO Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)ccc1Cl ZINC000262088182 165785195 /nfs/dbraw/zinc/78/51/95/165785195.db2.gz UEKBLTCGJMBRJF-SWLSCSKDSA-N 1 0 324.852 3.002 10 0 DGAERO C[NH2+]CCC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000262124254 165788899 /nfs/dbraw/zinc/78/88/99/165788899.db2.gz WBJAYTDWRQIOEG-IRXDYDNUSA-N 1 0 320.864 3.292 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(-c2ccncc2)cc1 ZINC000262256790 165794809 /nfs/dbraw/zinc/79/48/09/165794809.db2.gz FLMAORKFLRQHIV-JVPBZIDWSA-N 1 0 323.440 3.443 10 0 DGAERO C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262299312 165796575 /nfs/dbraw/zinc/79/65/75/165796575.db2.gz ADLPYYHJMONYTF-GUTXKFCHSA-N 1 0 300.402 3.340 10 0 DGAERO CC(C)Sc1ccc([C@H](C)NC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000262312188 165796797 /nfs/dbraw/zinc/79/67/97/165796797.db2.gz BWCDAQFCGCZUIC-OLZOCXBDSA-N 1 0 306.475 3.220 10 0 DGAERO Cc1cc2sc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)nc2c(C)c1 ZINC000262341383 165798883 /nfs/dbraw/zinc/79/88/83/165798883.db2.gz GGPXAOPZINGOSU-RYUDHWBXSA-N 1 0 303.431 3.240 10 0 DGAERO CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262359895 165799262 /nfs/dbraw/zinc/79/92/62/165799262.db2.gz WHLZAZKCAGESJC-LSGALXMHSA-N 1 0 318.383 3.097 10 0 DGAERO CC(C)(CCc1ccccc1)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000262518026 165807850 /nfs/dbraw/zinc/80/78/50/165807850.db2.gz NSLKTGZPPSICSR-IRXDYDNUSA-N 1 0 302.462 3.422 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)C1 ZINC000262647500 165814333 /nfs/dbraw/zinc/81/43/33/165814333.db2.gz SYQPLPGFNQDFAL-KGLIPLIRSA-N 1 0 311.385 3.285 10 0 DGAERO Cc1cccc(C2(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CCCCC2)c1 ZINC000262848658 165821837 /nfs/dbraw/zinc/82/18/37/165821837.db2.gz SCJWZOZDDSNZCT-FUHWJXTLSA-N 1 0 314.473 3.311 10 0 DGAERO c1cc(-c2ccc(CN3CCCC[C@@H]([NH+]4CCCC4)C3)o2)n[nH]1 ZINC000366028118 287202017 /nfs/dbraw/zinc/20/20/17/287202017.db2.gz UAGAJWLOADXNMK-OAHLLOKOSA-N 1 0 314.433 3.120 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)c1c(F)cccc1F ZINC000123272110 287222718 /nfs/dbraw/zinc/22/27/18/287222718.db2.gz UFVORTINKYSUQV-BFHYXJOUSA-N 1 0 322.399 3.154 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(C)nc2scc(C)c21 ZINC000126403480 287225481 /nfs/dbraw/zinc/22/54/81/287225481.db2.gz FMTDKGHHRQQTDD-ZIAGYGMSSA-N 1 0 316.474 3.371 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC)cc1C ZINC000129013425 196012199 /nfs/dbraw/zinc/01/21/99/196012199.db2.gz AJSONCYHCVAQAT-HUUCEWRRSA-N 1 0 317.433 3.094 10 0 DGAERO c1ncn([C@H]2CCC[N@@H+](CCOc3cccc4ccccc43)C2)n1 ZINC000171620469 432152716 /nfs/dbraw/zinc/15/27/16/432152716.db2.gz PACRWHCVLZSGCJ-KRWDZBQOSA-N 1 0 322.412 3.147 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc2cc(Cl)ccc2o1 ZINC000181928808 432151039 /nfs/dbraw/zinc/15/10/39/432151039.db2.gz RNDKHKCIJPUEPT-RISCZKNCSA-N 1 0 308.809 3.067 10 0 DGAERO CC(C)[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1 ZINC000182147772 432161823 /nfs/dbraw/zinc/16/18/23/432161823.db2.gz XJYZYEQUHUVJIZ-YVEFUNNKSA-N 1 0 308.372 3.015 10 0 DGAERO COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000182176879 432161915 /nfs/dbraw/zinc/16/19/15/432161915.db2.gz DSIKUZIMZPDZCM-HNNXBMFYSA-N 1 0 315.369 3.282 10 0 DGAERO COc1ccc([C@H]([NH2+]CCCn2ccnn2)c2ccccc2)cc1 ZINC000181981345 432153656 /nfs/dbraw/zinc/15/36/56/432153656.db2.gz WOWNTDQNZBQOLJ-LJQANCHMSA-N 1 0 322.412 3.056 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000246672546 432154252 /nfs/dbraw/zinc/15/42/52/432154252.db2.gz YSMNWXYRKCOWMZ-XOUIXPDISA-N 1 0 316.489 3.288 10 0 DGAERO CCc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1C ZINC000182008097 432154711 /nfs/dbraw/zinc/15/47/11/432154711.db2.gz JOOPDXYHTGXSJQ-KRWDZBQOSA-N 1 0 301.434 3.259 10 0 DGAERO C[C@@H]1C[N@H+](C[C@H](O)CC2CCCC2)C[C@H](c2ccccc2)O1 ZINC000190431913 432154785 /nfs/dbraw/zinc/15/47/85/432154785.db2.gz RZPJDOCSZSJTPC-ATZDWAIDSA-N 1 0 303.446 3.390 10 0 DGAERO CC[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccs1 ZINC000171653345 432156077 /nfs/dbraw/zinc/15/60/77/432156077.db2.gz UZVUYYKQBSBSDE-HUUCEWRRSA-N 1 0 321.490 3.469 10 0 DGAERO O=C(CC1CCC(C(F)(F)F)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182061833 432157459 /nfs/dbraw/zinc/15/74/59/432157459.db2.gz JKRVDWUOALVFBX-JXQTWKCFSA-N 1 0 318.383 3.052 10 0 DGAERO Cc1nc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c(C)s1 ZINC000182089586 432159153 /nfs/dbraw/zinc/15/91/53/432159153.db2.gz MSIVPXPLFXOIST-LBPRGKRZSA-N 1 0 317.458 3.010 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(Cc2ccccc2F)CC1 ZINC000190571298 432171552 /nfs/dbraw/zinc/17/15/52/432171552.db2.gz ANGIYYCOBVTPMU-OAHLLOKOSA-N 1 0 318.436 3.139 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3ccccc3s2)C1 ZINC000246854478 432171626 /nfs/dbraw/zinc/17/16/26/432171626.db2.gz UCQFKSWZCJJFDG-GJZGRUSLSA-N 1 0 314.454 3.458 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000246849575 432171674 /nfs/dbraw/zinc/17/16/74/432171674.db2.gz CFWHTGCMHBFJPM-HOTGVXAUSA-N 1 0 311.429 3.175 10 0 DGAERO C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246757134 432162805 /nfs/dbraw/zinc/16/28/05/432162805.db2.gz HNLRQTGFEMQEMS-RVKKMQEKSA-N 1 0 320.452 3.336 10 0 DGAERO C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C(C)(C)C[NH+](C)C ZINC000246790154 432165004 /nfs/dbraw/zinc/16/50/04/432165004.db2.gz JIRHLDDHTFBZAO-UBHSHLNASA-N 1 0 324.415 3.161 10 0 DGAERO COc1ccc([C@H]2CC[N@H+](C[C@H](O)CC3CCCC3)C2)cc1 ZINC000190495117 432165406 /nfs/dbraw/zinc/16/54/06/432165406.db2.gz UPRSACZSYBMGCY-ZWKOTPCHSA-N 1 0 303.446 3.426 10 0 DGAERO CC1(C)Cc2cc(C[NH2+]Cc3ccc(CO)c(F)c3)ccc2O1 ZINC000171762801 432169497 /nfs/dbraw/zinc/16/94/97/432169497.db2.gz MZKPRDLLGFDSLA-UHFFFAOYSA-N 1 0 315.388 3.321 10 0 DGAERO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@H](O)CC1CCCC1 ZINC000190625389 432176778 /nfs/dbraw/zinc/17/67/78/432176778.db2.gz TUMFVCAUOKVJSH-SRVWHDFXSA-N 1 0 323.502 3.358 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000246888477 432178116 /nfs/dbraw/zinc/17/81/16/432178116.db2.gz DNTJOHJTFYUCKF-RDJZCZTQSA-N 1 0 308.853 3.028 10 0 DGAERO CCC[C@H](C(=O)N[C@H](C)c1ccc(F)c(Cl)c1)[NH+](C)C ZINC000138572708 432181871 /nfs/dbraw/zinc/18/18/71/432181871.db2.gz GURQXOAHCPMYPW-QMTHXVAHSA-N 1 0 300.805 3.387 10 0 DGAERO O=C(N[C@@H](c1ccccc1)C1CCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907309 432182140 /nfs/dbraw/zinc/18/21/40/432182140.db2.gz OXYAPISTHSNIFU-MSOLQXFVSA-N 1 0 313.445 3.017 10 0 DGAERO O[C@@H](C[N@@H+]1CC[C@H](COCc2ccccc2)C1)C1CCCCC1 ZINC000190604281 432174374 /nfs/dbraw/zinc/17/43/74/432174374.db2.gz UTESXASUQDXRIH-ICSRJNTNSA-N 1 0 317.473 3.466 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000246965090 432184250 /nfs/dbraw/zinc/18/42/50/432184250.db2.gz XPULXOSCSOMYPJ-OALUTQOASA-N 1 0 312.457 3.122 10 0 DGAERO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000246957469 432184757 /nfs/dbraw/zinc/18/47/57/432184757.db2.gz IQVQAROQAWYRGB-UHOSZYNNSA-N 1 0 311.429 3.307 10 0 DGAERO CC(C)C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000139393677 432185195 /nfs/dbraw/zinc/18/51/95/432185195.db2.gz RTPNDMKEERIIJI-IRXDYDNUSA-N 1 0 303.450 3.167 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2csc([C@H](C)OC)n2)[C@@H](C)C1 ZINC000246985221 432187838 /nfs/dbraw/zinc/18/78/38/432187838.db2.gz JUTXZZBGCVKYLV-YDHLFZDLSA-N 1 0 311.495 3.013 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)NCc1cccc(COC)c1 ZINC000150740708 432188615 /nfs/dbraw/zinc/18/86/15/432188615.db2.gz MMQUYCXSOKLMJQ-GOSISDBHSA-N 1 0 318.461 3.104 10 0 DGAERO Clc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246934193 432182561 /nfs/dbraw/zinc/18/25/61/432182561.db2.gz YZFVCOIXPLVQED-CXAGYDPISA-N 1 0 316.836 3.331 10 0 DGAERO CS[C@@H]1CCCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000246935749 432182837 /nfs/dbraw/zinc/18/28/37/432182837.db2.gz TYDJKDKYRGRJLK-IUODEOHRSA-N 1 0 301.402 3.216 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000172168769 432199748 /nfs/dbraw/zinc/19/97/48/432199748.db2.gz NWDMTYWCCWXYIQ-OLZOCXBDSA-N 1 0 302.418 3.385 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc2c(c1)OCCCO2 ZINC000247026226 432192873 /nfs/dbraw/zinc/19/28/73/432192873.db2.gz OYGHCZDMLDAHCP-NUEKZKHPSA-N 1 0 305.418 3.050 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(-c2ccccc2)s1 ZINC000172082322 432194931 /nfs/dbraw/zinc/19/49/31/432194931.db2.gz XNJIJUUFBZOLRM-GOEBONIOSA-N 1 0 313.470 3.479 10 0 DGAERO Cc1cccc(OCC[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000150848326 432197065 /nfs/dbraw/zinc/19/70/65/432197065.db2.gz QVUXYDGJLGJJDK-INIZCTEOSA-N 1 0 322.412 3.305 10 0 DGAERO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCCC1 ZINC000172178433 432202180 /nfs/dbraw/zinc/20/21/80/432202180.db2.gz ZMGQKMQUJRLEJY-HOCLYGCPSA-N 1 0 319.449 3.294 10 0 DGAERO C[C@@H](c1cccc(F)c1)N1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000190930640 432202144 /nfs/dbraw/zinc/20/21/44/432202144.db2.gz KJBBAZPQGKNARC-RVKKMQEKSA-N 1 0 306.425 3.072 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000190913004 432200767 /nfs/dbraw/zinc/20/07/67/432200767.db2.gz HMMXIMBTSBJJKP-GHMZBOCLSA-N 1 0 302.187 3.245 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC(C)(C)C)C1 ZINC000172224359 432203093 /nfs/dbraw/zinc/20/30/93/432203093.db2.gz JOABNKBJSNFOHT-CVEARBPZSA-N 1 0 309.498 3.329 10 0 DGAERO CCSc1cccc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000172213870 432203271 /nfs/dbraw/zinc/20/32/71/432203271.db2.gz IXFBLEJVLPDEOU-CQSZACIVSA-N 1 0 307.463 3.404 10 0 DGAERO CCCn1cc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000131089674 196138348 /nfs/dbraw/zinc/13/83/48/196138348.db2.gz JABQCDYLWMNLRI-GOSISDBHSA-N 1 0 318.509 3.381 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)c1ccccc1Cl ZINC000247153873 432206931 /nfs/dbraw/zinc/20/69/31/432206931.db2.gz KDYBLAFMJZUNKY-KGLIPLIRSA-N 1 0 320.864 3.313 10 0 DGAERO CC(C)c1csc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)n1 ZINC000172337432 432208468 /nfs/dbraw/zinc/20/84/68/432208468.db2.gz WLLDUQDTSHZGEK-CYBMUJFWSA-N 1 0 310.467 3.070 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)C(C)C ZINC000247216832 432212762 /nfs/dbraw/zinc/21/27/62/432212762.db2.gz XILDGKQVEOMFAY-ZOBUZTSGSA-N 1 0 305.466 3.219 10 0 DGAERO O[C@H](CC1CCCC1)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000190951229 432204506 /nfs/dbraw/zinc/20/45/06/432204506.db2.gz GQLMJKWMSJVKJU-QUCCMNQESA-N 1 0 315.457 3.102 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCc2ccc(Cl)cc2)C1 ZINC000172253460 432205712 /nfs/dbraw/zinc/20/57/12/432205712.db2.gz OCNDZNCQIYIHDN-MRXNPFEDSA-N 1 0 323.868 3.008 10 0 DGAERO Cc1cccc(CSCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247356547 432224993 /nfs/dbraw/zinc/22/49/93/432224993.db2.gz JYHHFXMIWIWZIG-DOTOQJQBSA-N 1 0 320.502 3.169 10 0 DGAERO CCc1ccc(CCC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000247353958 432225506 /nfs/dbraw/zinc/22/55/06/432225506.db2.gz JVBVCCKCJQKBII-APWZRJJASA-N 1 0 316.489 3.370 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccccc2F)[C@H](C)C1 ZINC000247370962 432225752 /nfs/dbraw/zinc/22/57/52/432225752.db2.gz KTZHZQFGAZZBHJ-RKVPGOIHSA-N 1 0 320.452 3.193 10 0 DGAERO CC(C)c1csc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000172683166 432228579 /nfs/dbraw/zinc/22/85/79/432228579.db2.gz GXNZIRDWCMRCFE-CYBMUJFWSA-N 1 0 322.478 3.216 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(cccc3F)[nH]2)[C@@H](C)C1 ZINC000247405239 432227753 /nfs/dbraw/zinc/22/77/53/432227753.db2.gz MVXFEKKTNDRBFZ-SJCJKPOMSA-N 1 0 317.408 3.109 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000247400506 432227955 /nfs/dbraw/zinc/22/79/55/432227955.db2.gz PJBIKNSMHFJFAJ-ZTFGCOKTSA-N 1 0 313.445 3.016 10 0 DGAERO CC(C)[C@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247276449 432218491 /nfs/dbraw/zinc/21/84/91/432218491.db2.gz RQUASPGHMJIIKJ-SOLBZPMBSA-N 1 0 317.477 3.090 10 0 DGAERO C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](n2cncn2)C1 ZINC000172582543 432220961 /nfs/dbraw/zinc/22/09/61/432220961.db2.gz DKYDYWRNCLCLNK-HOCLYGCPSA-N 1 0 323.400 3.331 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C(C)C)s2)[C@H](C)C1 ZINC000151128450 432221608 /nfs/dbraw/zinc/22/16/08/432221608.db2.gz OAZNMOQAFYZNRW-CHWSQXEVSA-N 1 0 309.479 3.069 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC000247316313 432221707 /nfs/dbraw/zinc/22/17/07/432221707.db2.gz MFUGUYPCDDSTQW-DOTOQJQBSA-N 1 0 302.462 3.100 10 0 DGAERO CCOc1cc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1C ZINC000247307380 432222327 /nfs/dbraw/zinc/22/23/27/432222327.db2.gz HGAMSVLUEZNJCQ-RDJZCZTQSA-N 1 0 318.461 3.196 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](Cc3ccc(CO)cc3)C2)n1 ZINC000182726436 432222760 /nfs/dbraw/zinc/22/27/60/432222760.db2.gz MDMOTSSFHVOZAN-MRXNPFEDSA-N 1 0 302.443 3.323 10 0 DGAERO Cc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1F ZINC000151142620 432223401 /nfs/dbraw/zinc/22/34/01/432223401.db2.gz GWDZCISWMARMLS-MNOVXSKESA-N 1 0 310.800 3.143 10 0 DGAERO Cc1ccc2cccc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2n1 ZINC000132690276 196276147 /nfs/dbraw/zinc/27/61/47/196276147.db2.gz KWJPWVNPSVIWFP-UHFFFAOYSA-N 1 0 323.440 3.244 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000132706735 196277543 /nfs/dbraw/zinc/27/75/43/196277543.db2.gz BTFSGTTVJOMRBE-QGZVFWFLSA-N 1 0 314.473 3.342 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000132777152 196282706 /nfs/dbraw/zinc/28/27/06/196282706.db2.gz MAYONDPHQOYGHT-RDJZCZTQSA-N 1 0 305.418 3.182 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000132792777 196284573 /nfs/dbraw/zinc/28/45/73/196284573.db2.gz ZGFISZZSHMEBPG-OAHLLOKOSA-N 1 0 319.401 3.286 10 0 DGAERO CN1C[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)CCC1=O ZINC000132997271 196303205 /nfs/dbraw/zinc/30/32/05/196303205.db2.gz AYCOWJKREXIQIY-RTBURBONSA-N 1 0 308.425 3.181 10 0 DGAERO CC(C)c1ncc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000133012940 196304826 /nfs/dbraw/zinc/30/48/26/196304826.db2.gz FJRDXORJIDIMOT-AWEZNQCLSA-N 1 0 321.490 3.357 10 0 DGAERO COc1ccc2cc([C@@H](C)[NH2+][C@H]3CCC(=O)N(C)C3)ccc2c1 ZINC000133026965 196306065 /nfs/dbraw/zinc/30/60/65/196306065.db2.gz AIFSRHVRNRJXCA-DYVFJYSZSA-N 1 0 312.413 3.120 10 0 DGAERO CCOC(=O)CCCC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000133132954 196314223 /nfs/dbraw/zinc/31/42/23/196314223.db2.gz VVMMZJQRJCNOLU-UHFFFAOYSA-N 1 0 323.408 3.402 10 0 DGAERO CC[C@@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)CCO1 ZINC000261908883 287282822 /nfs/dbraw/zinc/28/28/22/287282822.db2.gz XHUQIVIKXOFFDZ-BMGDILEWSA-N 1 0 322.880 3.492 10 0 DGAERO FC(F)(F)c1cnc(N2CC[C@H]([NH2+]CC3CC3)C2)c(Cl)c1 ZINC000151199889 196647433 /nfs/dbraw/zinc/64/74/33/196647433.db2.gz VLSHQANCVCTETH-NSHDSACASA-N 1 0 319.758 3.332 10 0 DGAERO C[C@@H]1CCC[C@@H](C)C1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246180604 287375409 /nfs/dbraw/zinc/37/54/09/287375409.db2.gz KEAMYGZFCGNMLD-YZDRTPDPSA-N 1 0 307.482 3.126 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCCC4(CCOCC4)C3)C2)cc1 ZINC000298000755 227762966 /nfs/dbraw/zinc/76/29/66/227762966.db2.gz ZLYIPYYPHXUJDH-IBGZPJMESA-N 1 0 314.473 3.154 10 0 DGAERO Cc1ccc(OCCC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1C ZINC000177275942 228328881 /nfs/dbraw/zinc/32/88/81/228328881.db2.gz KOOKRCVVLBCTIX-HNNXBMFYSA-N 1 0 317.351 3.071 10 0 DGAERO O=C1NCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCCCC1 ZINC000179066045 228349291 /nfs/dbraw/zinc/34/92/91/228349291.db2.gz SKBFCWDRAYVVEO-OAHLLOKOSA-N 1 0 306.837 3.020 10 0 DGAERO c1ncn([C@@H]2CCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)n1 ZINC000179466382 228351408 /nfs/dbraw/zinc/35/14/08/228351408.db2.gz MBOAVOXDCAEBOV-LJQANCHMSA-N 1 0 319.412 3.177 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccs2)cc1F ZINC000181355699 228361171 /nfs/dbraw/zinc/36/11/71/228361171.db2.gz XMYWLGNBCOEOGL-GFCCVEGCSA-N 1 0 306.406 3.163 10 0 DGAERO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)C1CCCC1 ZINC000184658382 228385090 /nfs/dbraw/zinc/38/50/90/228385090.db2.gz FRXQPIYALZJGAG-HNNXBMFYSA-N 1 0 300.446 3.346 10 0 DGAERO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(CCO)CC2)cc1Cl ZINC000188072550 228449016 /nfs/dbraw/zinc/44/90/16/228449016.db2.gz DWRJJTVVSCYBOC-ZDUSSCGKSA-N 1 0 324.852 3.118 10 0 DGAERO Cc1nc(C)c(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)s1 ZINC000299746576 229389060 /nfs/dbraw/zinc/38/90/60/229389060.db2.gz YEVZXWQKAGMZEC-CQSZACIVSA-N 1 0 316.474 3.282 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000185156830 263628142 /nfs/dbraw/zinc/62/81/42/263628142.db2.gz CJBSSXDGGPHOPR-HUUCEWRRSA-N 1 0 324.415 3.147 10 0 DGAERO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185280277 263632855 /nfs/dbraw/zinc/63/28/55/263632855.db2.gz WELIDDUCSTXDNS-RHSMWYFYSA-N 1 0 323.456 3.362 10 0 DGAERO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000188942307 263705870 /nfs/dbraw/zinc/70/58/70/263705870.db2.gz KUIBTFGFJBJBSP-LJQANCHMSA-N 1 0 321.424 3.078 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189269090 263713686 /nfs/dbraw/zinc/71/36/86/263713686.db2.gz QKFCRPXTJVIHLG-IBGZPJMESA-N 1 0 314.473 3.330 10 0 DGAERO Cn1c(C[NH2+]C[C@@H]2CCC(C)(C)O2)nc2cc(Cl)ccc21 ZINC000189718737 263725625 /nfs/dbraw/zinc/72/56/25/263725625.db2.gz CLJIJHPJDYIUTG-LBPRGKRZSA-N 1 0 307.825 3.274 10 0 DGAERO C(C[NH+]1CCCCC1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347299476 264192395 /nfs/dbraw/zinc/19/23/95/264192395.db2.gz HWGUALHYNUJTLW-INIZCTEOSA-N 1 0 318.465 3.350 10 0 DGAERO C[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000347331296 264198228 /nfs/dbraw/zinc/19/82/28/264198228.db2.gz GKKSHTZUHSJROY-ZAWLATJESA-N 1 0 302.462 3.054 10 0 DGAERO CC(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC000347457701 264224233 /nfs/dbraw/zinc/22/42/33/264224233.db2.gz QARNOYLYFVTWTG-QGZVFWFLSA-N 1 0 308.853 3.419 10 0 DGAERO c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000347499965 264230974 /nfs/dbraw/zinc/23/09/74/264230974.db2.gz VTIKMJOYLMSMKR-SJORKVTESA-N 1 0 313.445 3.460 10 0 DGAERO C[N@H+](Cc1cscc1Br)C1CCC(O)CC1 ZINC000348216890 264366533 /nfs/dbraw/zinc/36/65/33/264366533.db2.gz UUHLDNWMVZCKAM-UHFFFAOYSA-N 1 0 304.253 3.246 10 0 DGAERO c1cc(C2CCC2)ccc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000352376992 265024071 /nfs/dbraw/zinc/02/40/71/265024071.db2.gz VQQAVALOKDTELY-LJQANCHMSA-N 1 0 301.430 3.336 10 0 DGAERO c1cc(N2CCC(C[NH+]3CCCCC3)CC2)nc(C2CC2)n1 ZINC000352962277 265247476 /nfs/dbraw/zinc/24/74/76/265247476.db2.gz UYSBHEOPKAZSBP-UHFFFAOYSA-N 1 0 300.450 3.056 10 0 DGAERO c1cn2cc(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)nc2s1 ZINC000353339577 265395064 /nfs/dbraw/zinc/39/50/64/265395064.db2.gz UGKQYFRQZCSMBI-NWANDNLSSA-N 1 0 305.447 3.081 10 0 DGAERO COc1ccc(-c2noc([C@H](C)[NH+]3[C@H](C)CC[C@H]3C)n2)cn1 ZINC000191170567 432229993 /nfs/dbraw/zinc/22/99/93/432229993.db2.gz OTQARRIDXPSZKF-UTUOFQBUSA-N 1 0 302.378 3.074 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)c1ccccc1 ZINC000247468143 432231369 /nfs/dbraw/zinc/23/13/69/432231369.db2.gz RKSVKHSDZGZQQB-RDJZCZTQSA-N 1 0 300.446 3.049 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ncccc3c2)[C@@H](C)C1 ZINC000247466321 432231983 /nfs/dbraw/zinc/23/19/83/432231983.db2.gz RLUOJZGEJLIRBV-KSSFIOAISA-N 1 0 311.429 3.037 10 0 DGAERO c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)c2)c1 ZINC000355209989 266000738 /nfs/dbraw/zinc/00/07/38/266000738.db2.gz SBYDGRKJIXOESG-QZTJIDSGSA-N 1 0 311.429 3.121 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)cn1 ZINC000355244099 266014343 /nfs/dbraw/zinc/01/43/43/266014343.db2.gz XWIMOGFRDOOXDQ-ZWKOTPCHSA-N 1 0 311.429 3.121 10 0 DGAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000356259155 266334751 /nfs/dbraw/zinc/33/47/51/266334751.db2.gz ABXUUHTZWRAMLQ-YTQUADARSA-N 1 0 301.430 3.382 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCc2ccccc2)[C@@H](C)C1 ZINC000247461046 432232708 /nfs/dbraw/zinc/23/27/08/432232708.db2.gz RAIZDBNTGIPXHI-WMZOPIPTSA-N 1 0 302.462 3.198 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2F)[C@@H](C)C1 ZINC000247463384 432232715 /nfs/dbraw/zinc/23/27/15/432232715.db2.gz REUYGUNKJLFMRK-VBQJREDUSA-N 1 0 306.425 3.118 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC(C)(C)c2ccccc2)C1 ZINC000247470168 432232829 /nfs/dbraw/zinc/23/28/29/432232829.db2.gz VEDHKOVDDRCNOO-DOTOQJQBSA-N 1 0 302.462 3.199 10 0 DGAERO Cc1ccc(C)c([C@H]2C[N@H+](CC3CCOCC3)[C@@H](C)CO2)c1 ZINC000247484973 432233300 /nfs/dbraw/zinc/23/33/00/432233300.db2.gz KLUPGRDMKVEBNY-QFBILLFUSA-N 1 0 303.446 3.492 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)cc21 ZINC000151281778 432234533 /nfs/dbraw/zinc/23/45/33/432234533.db2.gz VRROPQOJHALZLW-QGZVFWFLSA-N 1 0 317.408 3.028 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000247476961 432234229 /nfs/dbraw/zinc/23/42/29/432234229.db2.gz SHHSNGKDNYIZSE-CJNGLKHVSA-N 1 0 318.848 3.067 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(Cl)c1 ZINC000247487831 432236511 /nfs/dbraw/zinc/23/65/11/432236511.db2.gz KRGHKFWBTWWWJN-CABCVRRESA-N 1 0 307.825 3.431 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000247499518 432236685 /nfs/dbraw/zinc/23/66/85/432236685.db2.gz XMSHJBPXKLKSTJ-GXFFZTMASA-N 1 0 315.244 3.452 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC000247503896 432235662 /nfs/dbraw/zinc/23/56/62/432235662.db2.gz XRXDXPOIDJKEQK-NQMMUZQISA-N 1 0 307.482 3.126 10 0 DGAERO C[C@@H]1CCc2c(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)csc2C1 ZINC000247513274 432237179 /nfs/dbraw/zinc/23/71/79/432237179.db2.gz WBBYUESRIRUOGX-MCIONIFRSA-N 1 0 318.486 3.182 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000247511878 432237718 /nfs/dbraw/zinc/23/77/18/432237718.db2.gz VXQLWZDTIRDXOA-HZMBPMFUSA-N 1 0 313.228 3.302 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2nc(C)ccc2c1 ZINC000151352692 432239018 /nfs/dbraw/zinc/23/90/18/432239018.db2.gz DUJLCVIBBIUHBK-ZWKOTPCHSA-N 1 0 323.440 3.242 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccc2s1 ZINC000247540053 432239829 /nfs/dbraw/zinc/23/98/29/432239829.db2.gz YIAULTURXAXDDU-JSGCOSHPSA-N 1 0 300.427 3.210 10 0 DGAERO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000247545239 432240420 /nfs/dbraw/zinc/24/04/20/432240420.db2.gz RKVRHBXQAYITJL-AEFFLSMTSA-N 1 0 315.413 3.473 10 0 DGAERO COc1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151376315 432241492 /nfs/dbraw/zinc/24/14/92/432241492.db2.gz VRLAMMMOCGMVGO-QIMDTJCCSA-N 1 0 319.470 3.353 10 0 DGAERO CC[C@H]1CCCCN1C(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000247567570 432241013 /nfs/dbraw/zinc/24/10/13/432241013.db2.gz RKDBOZWRSBRPFE-FUHWJXTLSA-N 1 0 322.493 3.201 10 0 DGAERO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@@H](O)COC(C)(C)C)cc1 ZINC000247556140 432241258 /nfs/dbraw/zinc/24/12/58/432241258.db2.gz UBNYIRUMPGLAGE-IAGOWNOFSA-N 1 0 323.502 3.261 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000247567580 432241933 /nfs/dbraw/zinc/24/19/33/432241933.db2.gz RKDBOZWRSBRPFE-SJLPKXTDSA-N 1 0 322.493 3.201 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000191266686 432242137 /nfs/dbraw/zinc/24/21/37/432242137.db2.gz CXGFMIZKWSNAKQ-VXGBXAGGSA-N 1 0 304.365 3.214 10 0 DGAERO CCCCS[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247552163 432242157 /nfs/dbraw/zinc/24/21/57/432242157.db2.gz YWGGVRBOPKUMFO-KFWWJZLASA-N 1 0 300.512 3.097 10 0 DGAERO Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000191265783 432242208 /nfs/dbraw/zinc/24/22/08/432242208.db2.gz FIWPDUJCRWTCPR-AGUYFDCRSA-N 1 0 306.837 3.394 10 0 DGAERO Cc1ccc2c(C[NH+]3[C@H](C)CC(O)C[C@H]3C)cc(=O)oc2c1C ZINC000191272120 432242786 /nfs/dbraw/zinc/24/27/86/432242786.db2.gz SLRFINSUCKUEBJ-CHWSQXEVSA-N 1 0 315.413 3.144 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000182924282 432243612 /nfs/dbraw/zinc/24/36/12/432243612.db2.gz BMTQVMDEFRXBBL-RDJZCZTQSA-N 1 0 316.424 3.151 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(C2CC2)cs1 ZINC000247686618 432246700 /nfs/dbraw/zinc/24/67/00/432246700.db2.gz VDLNNXVLFGQBRM-OLZOCXBDSA-N 1 0 320.462 3.111 10 0 DGAERO C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000151474620 432249080 /nfs/dbraw/zinc/24/90/80/432249080.db2.gz QFHXGQBOTVJIPB-ZFWWWQNUSA-N 1 0 302.443 3.271 10 0 DGAERO O[C@H](CC1CCCC1)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000191319708 432249633 /nfs/dbraw/zinc/24/96/33/432249633.db2.gz XNDZGQLHCUAPNW-LJQANCHMSA-N 1 0 308.510 3.126 10 0 DGAERO Cn1cc(CN2CCC[N@@H+](C3CC3)CC2)c(C2CCCCC2)n1 ZINC000183025738 432250593 /nfs/dbraw/zinc/25/05/93/432250593.db2.gz HTKDQKVZVCGZHW-UHFFFAOYSA-N 1 0 316.493 3.138 10 0 DGAERO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCCC(=O)OC(C)(C)C ZINC000370712661 271384839 /nfs/dbraw/zinc/38/48/39/271384839.db2.gz XMAUBVFVMPRMGM-HNNXBMFYSA-N 1 0 307.438 3.069 10 0 DGAERO Cc1ccnc(C2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)n1 ZINC000371822250 271477564 /nfs/dbraw/zinc/47/75/64/271477564.db2.gz INLVSROQFQNBQM-UHFFFAOYSA-N 1 0 319.449 3.086 10 0 DGAERO O=C(/C=C/c1c(Cl)cccc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000372424347 271532547 /nfs/dbraw/zinc/53/25/47/271532547.db2.gz DABUBMRCCKPUBF-XUIVZRPNSA-N 1 0 313.228 3.265 10 0 DGAERO COC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000372597531 271548721 /nfs/dbraw/zinc/54/87/21/271548721.db2.gz ZYWNSCDXJXLMBR-ZOWXZIJZSA-N 1 0 318.244 3.226 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(F)cc3Cl)CC[C@H]21 ZINC000247968056 432255872 /nfs/dbraw/zinc/25/58/72/432255872.db2.gz HALKGDQYCVGSBF-IAQYHMDHSA-N 1 0 310.800 3.035 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2CCC(C)(C)CC2)C1 ZINC000183072948 432256759 /nfs/dbraw/zinc/25/67/59/432256759.db2.gz PTZDMQPXQOUXHF-HOCLYGCPSA-N 1 0 307.482 3.081 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1N(C)C ZINC000247966497 432257675 /nfs/dbraw/zinc/25/76/75/432257675.db2.gz GWOQKRSIBVKYAK-ASTDHERZSA-N 1 0 306.425 3.356 10 0 DGAERO CO[C@@H](C)[C@H](C)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000467365451 274056992 /nfs/dbraw/zinc/05/69/92/274056992.db2.gz JHKCXZDRFJUVHA-PGUXBMHVSA-N 1 0 312.251 3.319 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(-n2cncn2)cc1 ZINC000178278864 274263053 /nfs/dbraw/zinc/26/30/53/274263053.db2.gz QKCMGJPUULOPQQ-KDOFPFPSSA-N 1 0 320.396 3.442 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000282508318 274525128 /nfs/dbraw/zinc/52/51/28/274525128.db2.gz XFYFBUVCHIXXSS-RWEMILLDSA-N 1 0 301.217 3.311 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193612575 274668801 /nfs/dbraw/zinc/66/88/01/274668801.db2.gz BULDCFMHYXSHCQ-ZWNOBZJWSA-N 1 0 306.793 3.265 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cnn1C(C)(C)C ZINC000191378948 432259108 /nfs/dbraw/zinc/25/91/08/432259108.db2.gz ZNRWLYANQIIRNQ-GRDNDAEWSA-N 1 0 306.498 3.326 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(CCSc3ccccc3F)CC[C@H]21 ZINC000247975769 432259805 /nfs/dbraw/zinc/25/98/05/432259805.db2.gz HUEMPQCEHJLWSJ-GOEBONIOSA-N 1 0 308.466 3.334 10 0 DGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCc2c(Cl)cccc2C1 ZINC000246753367 275006831 /nfs/dbraw/zinc/00/68/31/275006831.db2.gz PTWIFYGJVALLAM-VUCTXSBTSA-N 1 0 318.848 3.145 10 0 DGAERO Fc1ccc2oc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000151626403 432260435 /nfs/dbraw/zinc/26/04/35/432260435.db2.gz SFCZXRJYVCDIIT-OAHLLOKOSA-N 1 0 317.408 3.417 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000121047636 275478018 /nfs/dbraw/zinc/47/80/18/275478018.db2.gz NEIWUGCOEWQJLY-HTWSVDAQSA-N 1 0 304.409 3.240 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3cc(F)ccc31)CC2 ZINC000180651956 275763026 /nfs/dbraw/zinc/76/30/26/275763026.db2.gz VSUPLPSJHTZVOX-ZBFHGGJFSA-N 1 0 314.408 3.133 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000079114915 276325246 /nfs/dbraw/zinc/32/52/46/276325246.db2.gz ZLJIIRZHKDMMKJ-OLZOCXBDSA-N 1 0 323.403 3.139 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CC)cc2)C12CCOCC2 ZINC000186296683 276362630 /nfs/dbraw/zinc/36/26/30/276362630.db2.gz HQUZKTSSGUFDDS-MSOLQXFVSA-N 1 0 303.446 3.313 10 0 DGAERO c1cc2c(nc(C3CC3)nc2NCC2CC[NH+](C3CC3)CC2)[nH]1 ZINC000631250298 429980307 /nfs/dbraw/zinc/98/03/07/429980307.db2.gz PHJBUNXNLSFLMD-UHFFFAOYSA-N 1 0 311.433 3.122 10 0 DGAERO C[N@@H+]1CCC[C@H](CN[C@H]2CCn3ccnc32)[C@@H]1c1cccs1 ZINC000453111528 277074127 /nfs/dbraw/zinc/07/41/27/277074127.db2.gz BZVGYPHXBFKSEL-IJEWVQPXSA-N 1 0 316.474 3.062 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000248447021 277083813 /nfs/dbraw/zinc/08/38/13/277083813.db2.gz NEKVVHLFJSHSAK-KSHAWTQOSA-N 1 0 302.418 3.109 10 0 DGAERO CC(C)(C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(F)F ZINC000472032659 277122155 /nfs/dbraw/zinc/12/21/55/277122155.db2.gz SZDOUXOXBHEBKA-CQSZACIVSA-N 1 0 316.436 3.392 10 0 DGAERO C[NH2+]CC1CCN(c2nc(C)nc3sc(C)c(C)c32)CC1 ZINC000261598792 277265398 /nfs/dbraw/zinc/26/53/98/277265398.db2.gz AXOVJUHMAGSYMH-UHFFFAOYSA-N 1 0 304.463 3.052 10 0 DGAERO C[NH2+]C[C@H]1CCCN(c2nc(C)nc3sc(C)c(C)c32)C1 ZINC000261615151 277283445 /nfs/dbraw/zinc/28/34/45/277283445.db2.gz FQMINIXTELYCEE-CYBMUJFWSA-N 1 0 304.463 3.052 10 0 DGAERO COC1([C@@H](C)[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)CCOCC1 ZINC000453268571 277472917 /nfs/dbraw/zinc/47/29/17/277472917.db2.gz KPGKZMYJWRTRAF-IIAWOOMASA-N 1 0 305.418 3.072 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@@H]2CSc3ccccc32)CCOCC1 ZINC000453213437 277473959 /nfs/dbraw/zinc/47/39/59/277473959.db2.gz CAAHFRILBIAXTK-UONOGXRCSA-N 1 0 307.459 3.050 10 0 DGAERO CC(C)[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1F ZINC000182131586 277919748 /nfs/dbraw/zinc/91/97/48/277919748.db2.gz RUWLPXNXDQNAIG-LRDDRELGSA-N 1 0 322.815 3.372 10 0 DGAERO C[C@H](CC(=O)N1CCCC[C@H]1c1nccs1)C1CC[NH2+]CC1 ZINC000167106298 278162365 /nfs/dbraw/zinc/16/23/65/278162365.db2.gz ODNGYWDPZRNLLY-HIFRSBDPSA-N 1 0 321.490 3.223 10 0 DGAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000183920396 278163946 /nfs/dbraw/zinc/16/39/46/278163946.db2.gz SBZAEGOSNZYWKR-QGPMSJSTSA-N 1 0 318.461 3.142 10 0 DGAERO C[C@H](CC1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000194611824 278166573 /nfs/dbraw/zinc/16/65/73/278166573.db2.gz LXRRONPPPSJHEZ-WBVHZDCISA-N 1 0 305.466 3.001 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000129021013 278241242 /nfs/dbraw/zinc/24/12/42/278241242.db2.gz PPMMTLPVWNEZDZ-LZWOXQAQSA-N 1 0 307.482 3.079 10 0 DGAERO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)C1CCCC1 ZINC000172194722 278243760 /nfs/dbraw/zinc/24/37/60/278243760.db2.gz ZRUDAFUNXGZBHT-JSGCOSHPSA-N 1 0 309.479 3.229 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191744442 278298309 /nfs/dbraw/zinc/29/83/09/278298309.db2.gz DAXXNBQLVOXXNJ-MAUKXSAKSA-N 1 0 315.486 3.389 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)C1CCCC1 ZINC000184622280 278337676 /nfs/dbraw/zinc/33/76/76/278337676.db2.gz SADQLJJKEFTMCL-GFCCVEGCSA-N 1 0 317.458 3.427 10 0 DGAERO CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128962133 278372366 /nfs/dbraw/zinc/37/23/66/278372366.db2.gz BZUUJWDNKHQVLY-CVEARBPZSA-N 1 0 321.465 3.468 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC000091302971 278409876 /nfs/dbraw/zinc/40/98/76/278409876.db2.gz SETAUMLKYBEKDM-QFBILLFUSA-N 1 0 316.445 3.175 10 0 DGAERO C[C@@H]1CCCN(c2ncc(Br)cc2Cl)[C@@H]1C[NH3+] ZINC000235327470 278485960 /nfs/dbraw/zinc/48/59/60/278485960.db2.gz GGDNOLDROYSGEV-LDYMZIIASA-N 1 0 318.646 3.061 10 0 DGAERO CC(C)(O)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178068212 278648952 /nfs/dbraw/zinc/64/89/52/278648952.db2.gz GVJZNYPNLVZFCC-GFCCVEGCSA-N 1 0 314.223 3.023 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000282307954 278852336 /nfs/dbraw/zinc/85/23/36/278852336.db2.gz DINPEBOCBRQDAY-WKPIXPDZSA-N 1 0 310.235 3.451 10 0 DGAERO C[C@@]1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1(Cl)Cl ZINC000177408802 279153219 /nfs/dbraw/zinc/15/32/19/279153219.db2.gz RCNNHYLYPXYDHK-AWEZNQCLSA-N 1 0 319.276 3.094 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1cc(C)sc1C ZINC000049132309 279158823 /nfs/dbraw/zinc/15/88/23/279158823.db2.gz APUVPIGGKIURIW-YPMHNXCESA-N 1 0 311.495 3.455 10 0 DGAERO Cc1sc2nc(C)nc(N3CC[C@@H](C)C[C@H]3C[NH3+])c2c1C ZINC000261736421 279286067 /nfs/dbraw/zinc/28/60/67/279286067.db2.gz RSKYBKJVESVIOA-RNCFNFMXSA-N 1 0 304.463 3.180 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)C/C=C/c1ccc(F)cc1 ZINC000081539024 279301307 /nfs/dbraw/zinc/30/13/07/279301307.db2.gz QQWFOVGWBFDNQU-LLYBFZRZSA-N 1 0 304.409 3.220 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCO[C@H](C)C2)o1 ZINC000109075243 431169168 /nfs/dbraw/zinc/16/91/68/431169168.db2.gz WHMGEFFXNYGODU-GDBMZVCRSA-N 1 0 320.458 3.201 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000109168378 431172185 /nfs/dbraw/zinc/17/21/85/431172185.db2.gz VGYXKPHPGQTECL-GDBMZVCRSA-N 1 0 321.465 3.071 10 0 DGAERO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109124618 431172712 /nfs/dbraw/zinc/17/27/12/431172712.db2.gz ZDWVXXNKVQKDCI-LSDHHAIUSA-N 1 0 324.415 3.115 10 0 DGAERO CC[NH+](CC)CCNC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000109161433 431173192 /nfs/dbraw/zinc/17/31/92/431173192.db2.gz BHESVAILOHWWMS-UHFFFAOYSA-N 1 0 321.318 3.308 10 0 DGAERO C[C@H](Cn1cccn1)[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000069389875 431184748 /nfs/dbraw/zinc/18/47/48/431184748.db2.gz XOBDYYBTLAHONS-SNVBAGLBSA-N 1 0 324.215 3.016 10 0 DGAERO CC[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119135143 288134290 /nfs/dbraw/zinc/13/42/90/288134290.db2.gz OUQISQBSEGWFQP-VYDXJSESSA-N 1 0 310.482 3.055 10 0 DGAERO c1coc(C[NH2+]Cc2cccc(COC3CCOCC3)c2)c1 ZINC000111409846 431220399 /nfs/dbraw/zinc/22/03/99/431220399.db2.gz HKFXLEMFBXKWQL-UHFFFAOYSA-N 1 0 301.386 3.265 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000111647974 431230702 /nfs/dbraw/zinc/23/07/02/431230702.db2.gz DWDNEUWIOPNPBF-XUVXKRRUSA-N 1 0 322.452 3.079 10 0 DGAERO C[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)[C@@H]1C[NH3+] ZINC000070178559 431247085 /nfs/dbraw/zinc/24/70/85/431247085.db2.gz WHAIRQYXUGYGMH-LDYMZIIASA-N 1 0 307.747 3.317 10 0 DGAERO Cc1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c1C ZINC000071790602 431286117 /nfs/dbraw/zinc/28/61/17/431286117.db2.gz OGMAOOMLKCWPRL-HZPDHXFCSA-N 1 0 304.434 3.355 10 0 DGAERO Cc1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1C ZINC000071790600 431287809 /nfs/dbraw/zinc/28/78/09/431287809.db2.gz OGMAOOMLKCWPRL-CVEARBPZSA-N 1 0 304.434 3.355 10 0 DGAERO Cc1ccc(O)c(C[NH2+]Cc2ccccc2Br)n1 ZINC000112716911 431299870 /nfs/dbraw/zinc/29/98/70/431299870.db2.gz MRTKIRXLHUYWHG-UHFFFAOYSA-N 1 0 307.191 3.148 10 0 DGAERO CCOc1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)ccc1C ZINC000113185311 431332900 /nfs/dbraw/zinc/33/29/00/431332900.db2.gz QECCGICSYDOWAB-UHFFFAOYSA-N 1 0 318.461 3.340 10 0 DGAERO Cc1c2cccc(C)c2oc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113222353 431333648 /nfs/dbraw/zinc/33/36/48/431333648.db2.gz DQCBNVKTXBMFIR-ZFWWWQNUSA-N 1 0 312.413 3.358 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)c1ccccc1 ZINC000113222666 431335523 /nfs/dbraw/zinc/33/55/23/431335523.db2.gz RKSVKHSDZGZQQB-NVXWUHKLSA-N 1 0 300.446 3.049 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000113232091 431336181 /nfs/dbraw/zinc/33/61/81/431336181.db2.gz GWVFIGCVMDKUCE-BXUZGUMPSA-N 1 0 318.804 3.395 10 0 DGAERO CSc1ccc(C)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113230259 431336653 /nfs/dbraw/zinc/33/66/53/431336653.db2.gz NDWOWEYYMMQVLO-UONOGXRCSA-N 1 0 304.459 3.026 10 0 DGAERO CC(C)N(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000073458297 431372078 /nfs/dbraw/zinc/37/20/78/431372078.db2.gz UEXKMPMGIMBQCD-ZIAGYGMSSA-N 1 0 320.433 3.100 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000007817782 431363482 /nfs/dbraw/zinc/36/34/82/431363482.db2.gz LIFMTXXPWNXQKA-GOSISDBHSA-N 1 0 307.397 3.201 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000007816662 431364625 /nfs/dbraw/zinc/36/46/25/431364625.db2.gz NFNQYURKCPANRG-QGZVFWFLSA-N 1 0 316.832 3.302 10 0 DGAERO Cc1noc([C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000074351272 431414403 /nfs/dbraw/zinc/41/44/03/431414403.db2.gz PQNQNOCYEXOBKO-HNNXBMFYSA-N 1 0 308.385 3.306 10 0 DGAERO CC(C)c1ccc([C@H](C[NH3+])S(=O)(=O)c2cccs2)cc1 ZINC000008038034 431376655 /nfs/dbraw/zinc/37/66/55/431376655.db2.gz VAFVQEVMVBPDGU-AWEZNQCLSA-N 1 0 309.456 3.345 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC(C(C)C)CC2)CC1 ZINC000073953173 431392783 /nfs/dbraw/zinc/39/27/83/431392783.db2.gz JAFBZTQZFIGUNS-UHFFFAOYSA-N 1 0 309.498 3.186 10 0 DGAERO O=C(C[NH2+]C1(c2ccccc2)CCCCC1)N1CCCCC1 ZINC000440940448 279780770 /nfs/dbraw/zinc/78/07/70/279780770.db2.gz YBYBLQNCODHHPP-UHFFFAOYSA-N 1 0 300.446 3.448 10 0 DGAERO CC[C@H]1CCCCCN1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000074734266 431437553 /nfs/dbraw/zinc/43/75/53/431437553.db2.gz YLDZQFNQIQRHME-KRWDZBQOSA-N 1 0 309.498 3.473 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)NC2CCCCCC2)ccc1F ZINC000115695691 431471445 /nfs/dbraw/zinc/47/14/45/431471445.db2.gz CCJPYWDBUHZIEE-UHFFFAOYSA-N 1 0 321.440 3.409 10 0 DGAERO CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)[C@H](C)c1cccnc1 ZINC000115801970 431472181 /nfs/dbraw/zinc/47/21/81/431472181.db2.gz IQMWUUGXJQQMFV-NVXWUHKLSA-N 1 0 320.481 3.150 10 0 DGAERO C[C@@H]1C[C@H](C)CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000115844970 431476786 /nfs/dbraw/zinc/47/67/86/431476786.db2.gz GFHPALWUPPSVKV-OKILXGFUSA-N 1 0 321.440 3.075 10 0 DGAERO CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H](C)C(C)C ZINC000115844918 431476794 /nfs/dbraw/zinc/47/67/94/431476794.db2.gz ABAPOVXYQIFVBP-CQSZACIVSA-N 1 0 323.456 3.463 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(C)c2C)C1 ZINC000115807119 431476840 /nfs/dbraw/zinc/47/68/40/431476840.db2.gz HZGFMNFTGYRNEF-JKSUJKDBSA-N 1 0 303.450 3.148 10 0 DGAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1 ZINC000011754620 431482076 /nfs/dbraw/zinc/48/20/76/431482076.db2.gz WZMUWVOOTVBTDO-HNNXBMFYSA-N 1 0 313.788 3.330 10 0 DGAERO Cc1cc(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)nc(C2CC2)n1 ZINC000116260634 431498430 /nfs/dbraw/zinc/49/84/30/431498430.db2.gz SDKHYECVCJVWGB-OAHLLOKOSA-N 1 0 323.444 3.304 10 0 DGAERO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000075901271 431504131 /nfs/dbraw/zinc/50/41/31/431504131.db2.gz OKOWVKMIOJSDKF-KEYYUXOJSA-N 1 0 309.425 3.385 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000075885837 431504510 /nfs/dbraw/zinc/50/45/10/431504510.db2.gz SBLTXOOGUHTZSL-QGZVFWFLSA-N 1 0 312.461 3.454 10 0 DGAERO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116295435 431504772 /nfs/dbraw/zinc/50/47/72/431504772.db2.gz ZVCCMAMKOTZOSU-INIZCTEOSA-N 1 0 324.380 3.103 10 0 DGAERO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116404517 431509837 /nfs/dbraw/zinc/50/98/37/431509837.db2.gz FCGVWLYDEUAAMV-DOTOQJQBSA-N 1 0 301.386 3.165 10 0 DGAERO CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012474953 431510402 /nfs/dbraw/zinc/51/04/02/431510402.db2.gz IFUWRLJCEAGZIX-GOSISDBHSA-N 1 0 322.399 3.188 10 0 DGAERO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nnc(C2CC2)n1C ZINC000076809674 431561950 /nfs/dbraw/zinc/56/19/50/431561950.db2.gz WTWPFOLTFCIPOU-IUODEOHRSA-N 1 0 314.408 3.210 10 0 DGAERO CCCn1cc(C[NH2+]Cc2cccc(Br)c2)cn1 ZINC000116915424 431536760 /nfs/dbraw/zinc/53/67/60/431536760.db2.gz PMLGWJVUECVNKE-UHFFFAOYSA-N 1 0 308.223 3.345 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(CC(C)C)n2)[C@H](C)C1 ZINC000076491485 431551707 /nfs/dbraw/zinc/55/17/07/431551707.db2.gz AQGDNBALYPERQJ-HIFRSBDPSA-N 1 0 323.506 3.144 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2SC)[C@H](C)C1 ZINC000076487536 431552172 /nfs/dbraw/zinc/55/21/72/431552172.db2.gz MWUAFCZVMZNNTJ-VXGBXAGGSA-N 1 0 312.504 3.272 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C(/C)c2ccc(F)cc2)[C@H](C)C1 ZINC000076486163 431552682 /nfs/dbraw/zinc/55/26/82/431552682.db2.gz XXCZLQXRGYLSAA-CQGBEHSFSA-N 1 0 318.436 3.418 10 0 DGAERO CC(C)[C@H](C)N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000086425252 280201345 /nfs/dbraw/zinc/20/13/45/280201345.db2.gz WWJXCMFXKVXPJA-YTTRVJOFSA-N 1 0 307.482 3.220 10 0 DGAERO Cc1c(F)cccc1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000073392347 280239275 /nfs/dbraw/zinc/23/92/75/280239275.db2.gz QVBTWQZGRXVFOC-UHFFFAOYSA-N 1 0 316.376 3.327 10 0 DGAERO C[NH+](C)CCCNC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000117742224 431577702 /nfs/dbraw/zinc/57/77/02/431577702.db2.gz UFXPCSFLCQYOQW-UHFFFAOYSA-N 1 0 304.434 3.080 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)N1CCCC1(C)C)c1cccc(F)c1 ZINC000077511434 431602317 /nfs/dbraw/zinc/60/23/17/431602317.db2.gz CMRWQLIWEBBYEG-HNNXBMFYSA-N 1 0 307.413 3.012 10 0 DGAERO O=C(CC[N@H+]1CC=C(c2cccs2)CC1)NC1CCCC1 ZINC000117893136 431582422 /nfs/dbraw/zinc/58/24/22/431582422.db2.gz UULVXDOCFJBSGI-UHFFFAOYSA-N 1 0 304.459 3.286 10 0 DGAERO CCOCCN1CC[N@H+](CCSc2ccccc2)C[C@H]1CC ZINC000117880114 431583677 /nfs/dbraw/zinc/58/36/77/431583677.db2.gz ACXXLQUHTIZBNF-QGZVFWFLSA-N 1 0 322.518 3.211 10 0 DGAERO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1)C1CCOCC1 ZINC000077323633 431584845 /nfs/dbraw/zinc/58/48/45/431584845.db2.gz TZGYGECRKDXXBT-UHFFFAOYSA-N 1 0 310.825 3.168 10 0 DGAERO Cc1ccc(-c2nnc([C@H](C)N3CCC([NH+](C)C)CC3)o2)cc1 ZINC000118000467 431585768 /nfs/dbraw/zinc/58/57/68/431585768.db2.gz DGCHTHSNUZSBGC-AWEZNQCLSA-N 1 0 314.433 3.132 10 0 DGAERO C[C@H](CNC(=O)N1CC=C(c2cccs2)CC1)[N@H+](C)C1CC1 ZINC000118072144 431587278 /nfs/dbraw/zinc/58/72/78/431587278.db2.gz YUBDQBDKTCZCOM-CYBMUJFWSA-N 1 0 319.474 3.030 10 0 DGAERO O[C@@H]1[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)CCC12CCOCC2 ZINC000453221874 280434760 /nfs/dbraw/zinc/43/47/60/280434760.db2.gz RVXQBKVHIDJNQS-KZNAEPCWSA-N 1 0 307.478 3.113 10 0 DGAERO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cnc1Cl ZINC000119161961 431654458 /nfs/dbraw/zinc/65/44/58/431654458.db2.gz UGHWMGGTLYQMFN-QXMXGUDHSA-N 1 0 322.840 3.180 10 0 DGAERO C[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1cccs1 ZINC000118951504 431626993 /nfs/dbraw/zinc/62/69/93/431626993.db2.gz DWVFXGVHWCMXPK-LBPRGKRZSA-N 1 0 320.433 3.369 10 0 DGAERO CC(C)(C[NH2+]C1CCN(C(N)=O)CC1)Cc1cccc(Cl)c1 ZINC000118956572 431627741 /nfs/dbraw/zinc/62/77/41/431627741.db2.gz GNSKIIHDDVFXDL-UHFFFAOYSA-N 1 0 323.868 3.041 10 0 DGAERO CSCCCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000119270280 431668352 /nfs/dbraw/zinc/66/83/52/431668352.db2.gz DOFVHHSMQJFHBO-UHFFFAOYSA-N 1 0 306.475 3.407 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1cc2ccccc2o1 ZINC000119277940 431671654 /nfs/dbraw/zinc/67/16/54/431671654.db2.gz YFQHQKRDHCFCHS-AWEZNQCLSA-N 1 0 317.433 3.005 10 0 DGAERO COc1cc(C[NH2+][C@H]2CCCc3occc32)cc2c1OCCO2 ZINC000119377710 431684968 /nfs/dbraw/zinc/68/49/68/431684968.db2.gz JZZMFWZOSCNPMS-AWEZNQCLSA-N 1 0 315.369 3.227 10 0 DGAERO CCC[C@@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccccn1 ZINC000027522046 431688402 /nfs/dbraw/zinc/68/84/02/431688402.db2.gz KGOLCFJHJOGRJG-SFHVURJKSA-N 1 0 305.466 3.114 10 0 DGAERO COCC[NH+](Cc1cccc(OC)c1)Cc1cccc(OC)c1 ZINC000078604640 431688453 /nfs/dbraw/zinc/68/84/53/431688453.db2.gz OTDOOAFFQWABPG-UHFFFAOYSA-N 1 0 315.413 3.352 10 0 DGAERO O=C(c1cccc(Oc2ccccc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932826 431697314 /nfs/dbraw/zinc/69/73/14/431697314.db2.gz KHNJQQNHWXWFPV-QGZVFWFLSA-N 1 0 322.408 3.399 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(Cc1ccccc1)C1CC1 ZINC000079495389 431726439 /nfs/dbraw/zinc/72/64/39/431726439.db2.gz SAMAIIRNIOLDBN-KRWDZBQOSA-N 1 0 317.477 3.337 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(Cc1cccs1)C1CC1 ZINC000079495640 431726491 /nfs/dbraw/zinc/72/64/91/431726491.db2.gz HAZQBYMMTYJKHT-AWEZNQCLSA-N 1 0 323.506 3.398 10 0 DGAERO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)sc1C ZINC000029954546 431732194 /nfs/dbraw/zinc/73/21/94/431732194.db2.gz AWFZSMUZCCFCCH-OAHLLOKOSA-N 1 0 302.443 3.398 10 0 DGAERO CNC(=O)c1ccc(C[N@H+](C)C/C=C/c2ccccc2OC)cc1 ZINC000121164166 431748532 /nfs/dbraw/zinc/74/85/32/431748532.db2.gz FMARCSFGIDDJKO-SOFGYWHQSA-N 1 0 324.424 3.200 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000079949683 431754480 /nfs/dbraw/zinc/75/44/80/431754480.db2.gz DUHNXLZHZDDDML-KBXCAEBGSA-N 1 0 316.445 3.089 10 0 DGAERO CC1CCC(C[N@H+](C)C2CCN(CCn3cccn3)CC2)CC1 ZINC000121240267 431760370 /nfs/dbraw/zinc/76/03/70/431760370.db2.gz GHCPVZXHVOSDAA-UHFFFAOYSA-N 1 0 318.509 3.106 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(C(=O)CCc2ccc(C)cc2)C1 ZINC000081335226 431788313 /nfs/dbraw/zinc/78/83/13/431788313.db2.gz HILXAIGHJIPUSF-GOSISDBHSA-N 1 0 302.462 3.118 10 0 DGAERO CC(=O)Nc1ccccc1C[N@H+](C)CCOc1ccc(C)cc1 ZINC000121508185 431795657 /nfs/dbraw/zinc/79/56/57/431795657.db2.gz CWWASTZVCXIWGC-UHFFFAOYSA-N 1 0 312.413 3.464 10 0 DGAERO Cc1cc2cc(C(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)oc2cc1C ZINC000261871210 280691360 /nfs/dbraw/zinc/69/13/60/280691360.db2.gz ODQIMNMUWJYWOH-MRXNPFEDSA-N 1 0 300.402 3.249 10 0 DGAERO C[N@@H+](Cc1ccsc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121747433 431805578 /nfs/dbraw/zinc/80/55/78/431805578.db2.gz JFTPMNANHBSCBX-HNNXBMFYSA-N 1 0 322.499 3.315 10 0 DGAERO CCOCc1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000122007198 431807471 /nfs/dbraw/zinc/80/74/71/431807471.db2.gz FRAYNWBQURXTQF-YOEHRIQHSA-N 1 0 319.449 3.073 10 0 DGAERO CCSc1ccc(OC)c(C(=O)NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000033506011 431814556 /nfs/dbraw/zinc/81/45/56/431814556.db2.gz CAIGFLNGTILGDB-CYBMUJFWSA-N 1 0 322.474 3.021 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095380 431783830 /nfs/dbraw/zinc/78/38/30/431783830.db2.gz DGNHZVJTDIORNS-HIFRSBDPSA-N 1 0 303.475 3.458 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095966 431783997 /nfs/dbraw/zinc/78/39/97/431783997.db2.gz NOVWRILMTWODKX-HIFRSBDPSA-N 1 0 312.404 3.450 10 0 DGAERO O[C@@]1(C(F)(F)F)CCN(Cc2csc(C3CCCC3)n2)C1 ZINC000081085142 431784215 /nfs/dbraw/zinc/78/42/15/431784215.db2.gz TXPWMHCGMRYSQQ-ZDUSSCGKSA-N 1 0 320.380 3.300 10 0 DGAERO C[NH+]1CCC(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000081235457 431785635 /nfs/dbraw/zinc/78/56/35/431785635.db2.gz DDWDXXLPYPOFGB-INIZCTEOSA-N 1 0 306.837 3.249 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCc2cccs2)[C@H](C)C1 ZINC000122638190 431840408 /nfs/dbraw/zinc/84/04/08/431840408.db2.gz UQOYHFCPTCIDMH-ZBFHGGJFSA-N 1 0 308.491 3.260 10 0 DGAERO CCC[C@H]([NH3+])C(=O)Nc1ccccc1SCC(F)(F)F ZINC000037020352 431843350 /nfs/dbraw/zinc/84/33/50/431843350.db2.gz BTVRYWCXSHPAMX-VIFPVBQESA-N 1 0 306.353 3.407 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)s1 ZINC000037090182 431844009 /nfs/dbraw/zinc/84/40/09/431844009.db2.gz VSSQRKUSWAPOST-KGLIPLIRSA-N 1 0 302.447 3.166 10 0 DGAERO CCn1cc([C@@H](C)[NH2+]CCc2ccc(OC)cc2Cl)cn1 ZINC000122894979 431847513 /nfs/dbraw/zinc/84/75/13/431847513.db2.gz IONOONXHVPVFTP-GFCCVEGCSA-N 1 0 307.825 3.458 10 0 DGAERO [NH3+]C1CCC(c2nc(-c3cccc(Br)c3)no2)CC1 ZINC000037562322 431847822 /nfs/dbraw/zinc/84/78/22/431847822.db2.gz QJVQQBXKDOPVIL-UHFFFAOYSA-N 1 0 322.206 3.484 10 0 DGAERO CC[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1[NH3+] ZINC000122936254 431848791 /nfs/dbraw/zinc/84/87/91/431848791.db2.gz HTRFRLOCTKUCRX-KWQFWETISA-N 1 0 307.747 3.317 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000037626284 431849167 /nfs/dbraw/zinc/84/91/67/431849167.db2.gz CAMLWXSHIGFUAI-UHFFFAOYSA-N 1 0 315.186 3.044 10 0 DGAERO C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1F ZINC000123002457 431851547 /nfs/dbraw/zinc/85/15/47/431851547.db2.gz XUWDQONJBZJMOQ-KFWWJZLASA-N 1 0 306.425 3.260 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000044380788 431873394 /nfs/dbraw/zinc/87/33/94/431873394.db2.gz HLODPTXYJPTKMD-HNNXBMFYSA-N 1 0 321.367 3.145 10 0 DGAERO Clc1cc(C[NH2+]CC[C@H]2CCCO2)cc2c1OCCCO2 ZINC000037988847 431852923 /nfs/dbraw/zinc/85/29/23/431852923.db2.gz XTPFDWCIHNXGGI-CYBMUJFWSA-N 1 0 311.809 3.160 10 0 DGAERO Cc1cccc(OCCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123398153 431863705 /nfs/dbraw/zinc/86/37/05/431863705.db2.gz OKZFDGLBAAQBEI-IAGOWNOFSA-N 1 0 318.461 3.095 10 0 DGAERO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1SC ZINC000123407990 431863814 /nfs/dbraw/zinc/86/38/14/431863814.db2.gz QGNMXGKKNVINDN-HIFRSBDPSA-N 1 0 308.491 3.332 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000123406959 431863941 /nfs/dbraw/zinc/86/39/41/431863941.db2.gz LVMJPSYTXQLWIH-SFHVURJKSA-N 1 0 312.461 3.301 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000123414701 431864212 /nfs/dbraw/zinc/86/42/12/431864212.db2.gz YZYPXHGKTCCXOJ-QGZVFWFLSA-N 1 0 316.424 3.132 10 0 DGAERO Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123402821 431864412 /nfs/dbraw/zinc/86/44/12/431864412.db2.gz MMEYBCFRKNHPJZ-TZMCWYRMSA-N 1 0 300.402 3.296 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000123434616 431865031 /nfs/dbraw/zinc/86/50/31/431865031.db2.gz TXDPDFSAFSORLR-OLZOCXBDSA-N 1 0 316.367 3.077 10 0 DGAERO C[C@@H](CNC(=O)CCCc1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000123436860 431865120 /nfs/dbraw/zinc/86/51/20/431865120.db2.gz RNSMGNOFZLNSGP-AWEZNQCLSA-N 1 0 324.415 3.136 10 0 DGAERO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C(C)C)c1 ZINC000043066954 431867173 /nfs/dbraw/zinc/86/71/73/431867173.db2.gz GAMNGCVTWNRLAU-HNNXBMFYSA-N 1 0 305.466 3.372 10 0 DGAERO Cc1noc(CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)n1 ZINC000089518246 431869269 /nfs/dbraw/zinc/86/92/69/431869269.db2.gz GCJXTBKXGZKEGJ-CYBMUJFWSA-N 1 0 307.781 3.077 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000123602623 431869331 /nfs/dbraw/zinc/86/93/31/431869331.db2.gz DIBTYGKONUVWQN-OCCSQVGLSA-N 1 0 316.367 3.500 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3ccccc3)CCC2)CC[N@@H+]1C ZINC000123607532 431870075 /nfs/dbraw/zinc/87/00/75/431870075.db2.gz UEKFKPOEOBILKB-WBVHZDCISA-N 1 0 300.446 3.049 10 0 DGAERO CCn1c2ccc(F)cc2nc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123665372 431871382 /nfs/dbraw/zinc/87/13/82/431871382.db2.gz DZHWBTXODHPWSG-UKRRQHHQSA-N 1 0 318.440 3.110 10 0 DGAERO CCn1c2ccc(F)cc2nc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123665533 431871535 /nfs/dbraw/zinc/87/15/35/431871535.db2.gz DZHWBTXODHPWSG-HIFRSBDPSA-N 1 0 318.440 3.110 10 0 DGAERO OC1([C@@H](CN2CC[NH2+]CC2)c2cccc(Cl)c2)CCCCC1 ZINC000034525608 431819076 /nfs/dbraw/zinc/81/90/76/431819076.db2.gz PZQVDLYPNAADGQ-KRWDZBQOSA-N 1 0 322.880 3.024 10 0 in-vitro DGAERO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C(N)=O)c1)CCCO2 ZINC000122253318 431823054 /nfs/dbraw/zinc/82/30/54/431823054.db2.gz NBWLFVCAYXWFNT-QGZVFWFLSA-N 1 0 310.397 3.097 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c(F)cc2Cl)CC[N@@H+]1C ZINC000123705948 431872631 /nfs/dbraw/zinc/87/26/31/431872631.db2.gz JQIDWCQLDIJQOO-UWVGGRQHSA-N 1 0 316.779 3.173 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)C2CC2)cc(Br)c1O ZINC000035136525 431826389 /nfs/dbraw/zinc/82/63/89/431826389.db2.gz UGMPQAORFMHWRG-QMMMGPOBSA-N 1 0 300.196 3.051 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000122308306 431826469 /nfs/dbraw/zinc/82/64/69/431826469.db2.gz MJKLQMCSDFWHOG-IAQYHMDHSA-N 1 0 312.816 3.281 10 0 DGAERO CC[C@@H]1CN(Cc2ccc(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000122358494 431829622 /nfs/dbraw/zinc/82/96/22/431829622.db2.gz VUMLQGKFBCNGCM-RISCZKNCSA-N 1 0 315.230 3.147 10 0 DGAERO Cc1cc(CCCC(=O)N2CCC([NH+](C)C)CC2)c(C)s1 ZINC000084600708 431830039 /nfs/dbraw/zinc/83/00/39/431830039.db2.gz GCYLVXGQSNWFRO-UHFFFAOYSA-N 1 0 308.491 3.240 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1 ZINC000084768120 431832898 /nfs/dbraw/zinc/83/28/98/431832898.db2.gz WHWAMASRDCYMBV-QWNKOJSDSA-N 1 0 300.446 3.197 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000084747539 431833805 /nfs/dbraw/zinc/83/38/05/431833805.db2.gz SWYQVBMGKQWNJV-UHFFFAOYSA-N 1 0 310.397 3.303 10 0 DGAERO Cc1ccc(C[N@H+](C[C@@H](O)COCc2ccco2)C2CC2)cc1 ZINC000036101868 431834870 /nfs/dbraw/zinc/83/48/70/431834870.db2.gz HSNUFPMZKQKRNM-GOSISDBHSA-N 1 0 315.413 3.130 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000092708452 431910993 /nfs/dbraw/zinc/91/09/93/431910993.db2.gz LJSRJVMXWYEBMA-IYICPGQYSA-N 1 0 300.446 3.471 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+]3CCc4ccccc4[C@@H]3C)cnc2n1 ZINC000093149467 431912858 /nfs/dbraw/zinc/91/28/58/431912858.db2.gz AMHFUHSFCQZMCJ-HNNXBMFYSA-N 1 0 306.413 3.465 10 0 DGAERO CCS[C@H]1CCCC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093361790 431914426 /nfs/dbraw/zinc/91/44/26/431914426.db2.gz NPRKYNXZEHIKLR-INIZCTEOSA-N 1 0 318.490 3.454 10 0 DGAERO CC(C)c1ccc([C@@H](C)NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000047886944 431915961 /nfs/dbraw/zinc/91/59/61/431915961.db2.gz XDMWLOZPYULRBZ-CQSZACIVSA-N 1 0 303.450 3.264 10 0 DGAERO c1coc(-c2cc(CN3CCC(C[NH+]4CCCC4)CC3)no2)c1 ZINC000047969332 431917115 /nfs/dbraw/zinc/91/71/15/431917115.db2.gz UDONWCLKQXGTGP-UHFFFAOYSA-N 1 0 315.417 3.242 10 0 DGAERO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000093660909 431917517 /nfs/dbraw/zinc/91/75/17/431917517.db2.gz XENIKLNIWWRLBG-INIZCTEOSA-N 1 0 301.434 3.190 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(Cl)s1 ZINC000047943439 431917706 /nfs/dbraw/zinc/91/77/06/431917706.db2.gz SJGIAMGPXLGILD-NSHDSACASA-N 1 0 300.855 3.455 10 0 DGAERO CSc1nc(Cl)cc(OCCC[C@H]2CCCC[NH2+]2)n1 ZINC000095071796 431920204 /nfs/dbraw/zinc/92/02/04/431920204.db2.gz NGSCIYLQUNXHDW-SNVBAGLBSA-N 1 0 301.843 3.153 10 0 DGAERO CCOc1nc2ccccc2nc1OCCC[C@H]1CCCC[NH2+]1 ZINC000095069743 431920244 /nfs/dbraw/zinc/92/02/44/431920244.db2.gz VHJGTJFRUJCGNY-CQSZACIVSA-N 1 0 315.417 3.330 10 0 DGAERO CCCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000125290095 431920670 /nfs/dbraw/zinc/92/06/70/431920670.db2.gz IQIBRQRKKOQFIU-GDBMZVCRSA-N 1 0 319.449 3.422 10 0 DGAERO C[C@@H](c1ccc[nH]1)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000095088991 431921147 /nfs/dbraw/zinc/92/11/47/431921147.db2.gz TUJHZMJCQVBMOU-ZDUSSCGKSA-N 1 0 307.438 3.407 10 0 DGAERO CC1(I)CC[NH+](Cc2ccccc2)CC1 ZINC000095089635 431922178 /nfs/dbraw/zinc/92/21/78/431922178.db2.gz YCHTVVVSBURWRN-UHFFFAOYSA-N 1 0 315.198 3.476 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(-n3cccc3)c2)CC[N@@H+]1C ZINC000123881116 431876653 /nfs/dbraw/zinc/87/66/53/431876653.db2.gz WNDLOOFJJZQTOT-WBVHZDCISA-N 1 0 311.429 3.032 10 0 DGAERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1scnc1C1CC1 ZINC000089777640 431878692 /nfs/dbraw/zinc/87/86/92/431878692.db2.gz ADFUSNPZAYCZEH-JHJVBQTASA-N 1 0 321.490 3.117 10 0 DGAERO CCOc1ccc([C@H](C)[NH2+]CCn2cc(C)cn2)cc1OCC ZINC000124069253 431881887 /nfs/dbraw/zinc/88/18/87/431881887.db2.gz QNAJNOIQJLZZJH-HNNXBMFYSA-N 1 0 317.433 3.340 10 0 DGAERO C1C[C@@H](c2nc(C3CCCCC3)no2)[N@@H+](C2CCOCC2)C1 ZINC000125449737 431925507 /nfs/dbraw/zinc/92/55/07/431925507.db2.gz VACLQRVINWCIFI-HNNXBMFYSA-N 1 0 305.422 3.433 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000045409620 431885573 /nfs/dbraw/zinc/88/55/73/431885573.db2.gz GAJVZNZVDUSPIP-FHLIZLRMSA-N 1 0 321.509 3.373 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000124188561 431885706 /nfs/dbraw/zinc/88/57/06/431885706.db2.gz XMVTUSFVBSCJMU-INIZCTEOSA-N 1 0 301.434 3.476 10 0 DGAERO COc1ccc(C)cc1[C@H](C)[NH2+]CCc1c(C)nn(C)c1C ZINC000124199947 431886129 /nfs/dbraw/zinc/88/61/29/431886129.db2.gz AEHNCKKOEXDRMS-ZDUSSCGKSA-N 1 0 301.434 3.247 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000124220722 431886154 /nfs/dbraw/zinc/88/61/54/431886154.db2.gz CGRQLVOQHMGIGL-WILYLXEWSA-N 1 0 313.397 3.013 10 0 DGAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000089934968 431886787 /nfs/dbraw/zinc/88/67/87/431886787.db2.gz XHFHSLJHRZYNMS-CVEARBPZSA-N 1 0 309.837 3.487 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000089937131 431886894 /nfs/dbraw/zinc/88/68/94/431886894.db2.gz MCLCLRSVIANFBI-ZDUSSCGKSA-N 1 0 310.488 3.398 10 0 DGAERO CC[NH+](CC)CCNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045544931 431887268 /nfs/dbraw/zinc/88/72/68/431887268.db2.gz PPLKXGLXKAPFRR-ZDUSSCGKSA-N 1 0 311.857 3.384 10 0 DGAERO COc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1F ZINC000090396209 431891246 /nfs/dbraw/zinc/89/12/46/431891246.db2.gz FKDNQTASAZDULK-CYBMUJFWSA-N 1 0 322.424 3.075 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H](C)c1ccco1 ZINC000124356069 431891758 /nfs/dbraw/zinc/89/17/58/431891758.db2.gz DKZZODOLIYCXQG-HUUCEWRRSA-N 1 0 307.438 3.102 10 0 DGAERO CC[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000125455638 431925753 /nfs/dbraw/zinc/92/57/53/431925753.db2.gz YCGYBWVUSXXVKB-MAUKXSAKSA-N 1 0 316.445 3.091 10 0 DGAERO CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000090801032 431894991 /nfs/dbraw/zinc/89/49/91/431894991.db2.gz QNSHTDIJSJHYJN-ZDUSSCGKSA-N 1 0 322.449 3.103 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000090916495 431897933 /nfs/dbraw/zinc/89/79/33/431897933.db2.gz UJZJPRNGGHYUFZ-ULQDDVLXSA-N 1 0 308.853 3.100 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000090943029 431898422 /nfs/dbraw/zinc/89/84/22/431898422.db2.gz GQQHOMPDMAUAIR-JBBXEZCESA-N 1 0 317.383 3.456 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)c(F)cc1Cl ZINC000046859291 431902223 /nfs/dbraw/zinc/90/22/23/431902223.db2.gz CRORWGDTKSIAEK-SNVBAGLBSA-N 1 0 316.779 3.222 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1nc2ccc(Cl)cc2n1C ZINC000091284686 431903724 /nfs/dbraw/zinc/90/37/24/431903724.db2.gz AFXDXNLDLKVQAW-PGUXBMHVSA-N 1 0 307.825 3.445 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000124774850 431903983 /nfs/dbraw/zinc/90/39/83/431903983.db2.gz AAXQOOLLEJNARD-KXBFYZLASA-N 1 0 310.441 3.323 10 0 DGAERO O=C(c1cccc(Cl)c1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000124828349 431906020 /nfs/dbraw/zinc/90/60/20/431906020.db2.gz SHEOYGAKYAQBQA-RISCZKNCSA-N 1 0 310.800 3.083 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC000054805242 431973273 /nfs/dbraw/zinc/97/32/73/431973273.db2.gz RCGZJYRVWQTOGR-DZGCQCFKSA-N 1 0 321.465 3.459 10 0 DGAERO NC(=O)c1ccc(C[N@H+]2CC=C(c3ccccc3F)CC2)cc1 ZINC000127696987 431978028 /nfs/dbraw/zinc/97/80/28/431978028.db2.gz FAMGNVWENRELOO-UHFFFAOYSA-N 1 0 310.372 3.214 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(Cl)c2)[C@H](C)C1 ZINC000127784492 431980967 /nfs/dbraw/zinc/98/09/67/431980967.db2.gz AIEBBWPKRKDCQR-CZUORRHYSA-N 1 0 323.868 3.212 10 0 DGAERO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000098123313 431979695 /nfs/dbraw/zinc/97/96/95/431979695.db2.gz ZAFXFSIVVGTDAL-GHMZBOCLSA-N 1 0 300.805 3.435 10 0 DGAERO Cc1cc2cc([C@H](C)[NH2+]C[C@@]3(CCO)CCOC3)oc2cc1C ZINC000125516517 431928459 /nfs/dbraw/zinc/92/84/59/431928459.db2.gz CCRXTAJNTFBMLK-HNAYVOBHSA-N 1 0 317.429 3.489 10 0 DGAERO CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000125735563 431934685 /nfs/dbraw/zinc/93/46/85/431934685.db2.gz QVACDXORSQQAIH-RTBURBONSA-N 1 0 305.462 3.023 10 0 DGAERO Cc1ccccc1[C@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000125777695 431934845 /nfs/dbraw/zinc/93/48/45/431934845.db2.gz QQQBNASSRGADLQ-INIZCTEOSA-N 1 0 313.445 3.124 10 0 DGAERO CSc1ccccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073134 431936071 /nfs/dbraw/zinc/93/60/71/431936071.db2.gz QGKROWNEOUAGEI-UHFFFAOYSA-N 1 0 318.486 3.357 10 0 DGAERO Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000049073684 431936266 /nfs/dbraw/zinc/93/62/66/431936266.db2.gz ZHXOEFBGNWOXLT-UHFFFAOYSA-N 1 0 304.409 3.082 10 0 DGAERO CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccccc1OC(F)F ZINC000125816200 431936408 /nfs/dbraw/zinc/93/64/08/431936408.db2.gz WALJLKOVFMCLRY-GFCCVEGCSA-N 1 0 314.376 3.243 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000052075743 431955021 /nfs/dbraw/zinc/95/50/21/431955021.db2.gz FZBJAFPQSDOESK-MRXNPFEDSA-N 1 0 311.853 3.480 10 0 DGAERO CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000052593803 431956578 /nfs/dbraw/zinc/95/65/78/431956578.db2.gz DOKZDKKBGYWPDE-INIZCTEOSA-N 1 0 323.868 3.356 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccccc2Cl)C1 ZINC000052499074 431956698 /nfs/dbraw/zinc/95/66/98/431956698.db2.gz ZHBVEERVUKAMDF-STQMWFEESA-N 1 0 309.841 3.185 10 0 DGAERO CCOc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000052554718 431956889 /nfs/dbraw/zinc/95/68/89/431956889.db2.gz UQEGZHLCFHSVRY-GOSISDBHSA-N 1 0 312.413 3.118 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000052594474 431957523 /nfs/dbraw/zinc/95/75/23/431957523.db2.gz NEXHPGKNBXLESD-DLBZAZTESA-N 1 0 301.434 3.017 10 0 DGAERO OCCC[C@H]1CCC[N@@H+]1Cc1cc(Br)cs1 ZINC000052762549 431958209 /nfs/dbraw/zinc/95/82/09/431958209.db2.gz CUNOELWLQVTKLA-LLVKDONJSA-N 1 0 304.253 3.248 10 0 DGAERO Cc1cc(NCC2(O)CCSCC2)c2cc(F)ccc2[nH+]1 ZINC000126821786 431958476 /nfs/dbraw/zinc/95/84/76/431958476.db2.gz RTIBTKPLVWWGKL-UHFFFAOYSA-N 1 0 306.406 3.352 10 0 DGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1Br ZINC000052762324 431958577 /nfs/dbraw/zinc/95/85/77/431958577.db2.gz CFAFMVBHQCOSPW-ZDUSSCGKSA-N 1 0 316.214 3.325 10 0 DGAERO [NH3+][C@H]1CC[C@H](c2nc(-c3cccc(Br)c3)no2)C1 ZINC000097067743 431959604 /nfs/dbraw/zinc/95/96/04/431959604.db2.gz PYEDKQHZGADAOV-ONGXEEELSA-N 1 0 308.179 3.094 10 0 DGAERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000126942141 431961072 /nfs/dbraw/zinc/96/10/72/431961072.db2.gz MOAHFWXKCJAPLU-BDAKNGLRSA-N 1 0 306.631 3.209 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000127263051 431968366 /nfs/dbraw/zinc/96/83/66/431968366.db2.gz YFNCTZLVUKYOBZ-SWLSCSKDSA-N 1 0 321.852 3.107 10 0 DGAERO CC(C)Cc1ncc(CN2CCC([NH+]3CCCC3)CC2)s1 ZINC000127782703 431980747 /nfs/dbraw/zinc/98/07/47/431980747.db2.gz JCYHXYWFYIFZLV-UHFFFAOYSA-N 1 0 307.507 3.402 10 0 DGAERO CC(C)CC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000097477865 431970033 /nfs/dbraw/zinc/97/00/33/431970033.db2.gz QLWKJDXXFURHIL-ZDUSSCGKSA-N 1 0 320.399 3.298 10 0 DGAERO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000097466679 431970060 /nfs/dbraw/zinc/97/00/60/431970060.db2.gz WEBUPLSRMUYVOO-BETUJISGSA-N 1 0 308.388 3.011 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1 ZINC000055375010 431981054 /nfs/dbraw/zinc/98/10/54/431981054.db2.gz MDRLSXGSWPWBSE-STQMWFEESA-N 1 0 312.369 3.093 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc21 ZINC000127809436 431981872 /nfs/dbraw/zinc/98/18/72/431981872.db2.gz JIVFLQVKSZCWHJ-OCCSQVGLSA-N 1 0 317.408 3.170 10 0 DGAERO CCc1csc([C@H]2CCC[N@@H+](Cc3ccnn3CC)C2)n1 ZINC000127900902 431983636 /nfs/dbraw/zinc/98/36/36/431983636.db2.gz KCBHWRZVQQLHFX-ZDUSSCGKSA-N 1 0 304.463 3.302 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2nc1C ZINC000175005236 281191264 /nfs/dbraw/zinc/19/12/64/281191264.db2.gz VWSKPRYWQRBVPH-DLBZAZTESA-N 1 0 323.440 3.242 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)cn1 ZINC000128113151 431987766 /nfs/dbraw/zinc/98/77/66/431987766.db2.gz MDHVNRHSVVIELU-UHFFFAOYSA-N 1 0 309.417 3.159 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000128117907 431988042 /nfs/dbraw/zinc/98/80/42/431988042.db2.gz MFICPMUPIZSULE-RHSMWYFYSA-N 1 0 321.440 3.006 10 0 DGAERO Cc1cccc(F)c1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000184453383 281222051 /nfs/dbraw/zinc/22/20/51/281222051.db2.gz WGQYFYURPVFNIF-AWEZNQCLSA-N 1 0 305.397 3.226 10 0 DGAERO Cc1cccc2c1CC(C)(C)[N@H+](C[C@@H](O)CC(F)(F)F)C2 ZINC000451266703 281269489 /nfs/dbraw/zinc/26/94/89/281269489.db2.gz ZOUCAKJONZQJJO-ZDUSSCGKSA-N 1 0 301.352 3.445 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000101996190 431990937 /nfs/dbraw/zinc/99/09/37/431990937.db2.gz ZMTFJUDSLBICLW-NSHDSACASA-N 1 0 315.820 3.180 10 0 DGAERO CC[C@H](C)Oc1ccc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000056752839 431989229 /nfs/dbraw/zinc/98/92/29/431989229.db2.gz RZWNQRGYKASCBT-GOEBONIOSA-N 1 0 319.449 3.470 10 0 DGAERO CCNC(=O)C(C)(C)C[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000183222530 432270238 /nfs/dbraw/zinc/27/02/38/432270238.db2.gz PJQJVESVODGXDC-INIZCTEOSA-N 1 0 320.477 3.014 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1Cl ZINC000173330171 432271300 /nfs/dbraw/zinc/27/13/00/432271300.db2.gz UWSMQAMVMQGGPV-HUUCEWRRSA-N 1 0 321.852 3.108 10 0 DGAERO CCCCS[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248147433 432272286 /nfs/dbraw/zinc/27/22/86/432272286.db2.gz ZWNDRFWKHLNMJP-OIISXLGYSA-N 1 0 320.502 3.470 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000173394557 432276095 /nfs/dbraw/zinc/27/60/95/432276095.db2.gz SLOGMQISDUSNLR-CABCVRRESA-N 1 0 308.441 3.241 10 0 DGAERO CCc1nccn1[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000151810087 432278243 /nfs/dbraw/zinc/27/82/43/432278243.db2.gz WKQUGDDTZYYWJJ-HNNXBMFYSA-N 1 0 304.438 3.125 10 0 DGAERO Nc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)ccn1 ZINC000191590571 432280634 /nfs/dbraw/zinc/28/06/34/432280634.db2.gz AUBVSUYHIBKFGG-MRXNPFEDSA-N 1 0 313.376 3.040 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C)[C@H]2C)cc1 ZINC000248339767 432280736 /nfs/dbraw/zinc/28/07/36/432280736.db2.gz IIKFNSFHDFUFNA-RKVPGOIHSA-N 1 0 316.445 3.089 10 0 DGAERO Cc1ccc(-c2cc(CN3CC[N@@H+]4CCCC[C@H]4C3)on2)cc1 ZINC000248356899 432281402 /nfs/dbraw/zinc/28/14/02/432281402.db2.gz OWNSSCOKOXZQSX-KRWDZBQOSA-N 1 0 311.429 3.320 10 0 DGAERO Cc1cc(C)cc(OCCC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000248372095 432281566 /nfs/dbraw/zinc/28/15/66/432281566.db2.gz ZMKJDDGGJKOYLG-ROUUACIJSA-N 1 0 304.478 3.487 10 0 DGAERO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248369284 432282364 /nfs/dbraw/zinc/28/23/64/432282364.db2.gz WBXIFKJDELNINC-JQNCJPFGSA-N 1 0 324.468 3.344 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)ccc1F ZINC000191613314 432282757 /nfs/dbraw/zinc/28/27/57/432282757.db2.gz HGTZWWWPTKBCDC-RHSMWYFYSA-N 1 0 317.404 3.397 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]1)N(Cc1ccccc1)C1CCCCC1 ZINC000151880868 432285032 /nfs/dbraw/zinc/28/50/32/432285032.db2.gz WVFMJTAWVLWASV-QGZVFWFLSA-N 1 0 300.446 3.490 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)CCCc1ccc(F)c(F)c1 ZINC000151885824 432285130 /nfs/dbraw/zinc/28/51/30/432285130.db2.gz JTDBXGSRKPQOCU-UHFFFAOYSA-N 1 0 312.404 3.086 10 0 DGAERO COC[C@@H]([NH2+]CCCc1ccccn1)c1ccc(F)c(F)c1 ZINC000183361045 432286928 /nfs/dbraw/zinc/28/69/28/432286928.db2.gz ZURSLFHGCQYRPT-QGZVFWFLSA-N 1 0 306.356 3.270 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000248419388 432288197 /nfs/dbraw/zinc/28/81/97/432288197.db2.gz UYPOURQMNLZJBJ-MSOLQXFVSA-N 1 0 310.445 3.135 10 0 DGAERO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000248450802 432292304 /nfs/dbraw/zinc/29/23/04/432292304.db2.gz IUCMLTDYMBHWQD-IKGGRYGDSA-N 1 0 302.466 3.251 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](C[C@H]2CCOC2)C2CC2)s1 ZINC000183569186 432303733 /nfs/dbraw/zinc/30/37/33/432303733.db2.gz NBGBUJIDQXGMOB-SNVBAGLBSA-N 1 0 320.380 3.471 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)c1 ZINC000248454245 432294845 /nfs/dbraw/zinc/29/48/45/432294845.db2.gz KEZDQKBOKZPOOJ-PKOBYXMFSA-N 1 0 308.425 3.319 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000183469923 432295950 /nfs/dbraw/zinc/29/59/50/432295950.db2.gz PBKWWUAVVKJQRN-UHFFFAOYSA-N 1 0 303.793 3.073 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000183485479 432297213 /nfs/dbraw/zinc/29/72/13/432297213.db2.gz BTACWSLGDSUESN-UHFFFAOYSA-N 1 0 323.318 3.096 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000183554124 432303873 /nfs/dbraw/zinc/30/38/73/432303873.db2.gz JOKMAPDVROQMKF-UHFFFAOYSA-N 1 0 321.783 3.212 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CC1(O)CCCC1 ZINC000152044677 432299237 /nfs/dbraw/zinc/29/92/37/432299237.db2.gz MKXLTHNXHBYROV-ZDUSSCGKSA-N 1 0 301.390 3.035 10 0 DGAERO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000248546888 432299298 /nfs/dbraw/zinc/29/92/98/432299298.db2.gz FWVSOJKNDNVPFW-AEFFLSMTSA-N 1 0 311.429 3.347 10 0 DGAERO CC[C@@]1(C)CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000173775396 432299704 /nfs/dbraw/zinc/29/97/04/432299704.db2.gz CANSEIMXHXAYKF-ZFWWWQNUSA-N 1 0 320.399 3.299 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)[C@H]1Oc1ccccc1 ZINC000248553131 432299911 /nfs/dbraw/zinc/29/99/11/432299911.db2.gz JIJGSHSWVAJZCQ-XLNGHYISSA-N 1 0 307.459 3.097 10 0 DGAERO Cc1csc([C@@H]([NH2+]C[C@](C)(O)c2ccccc2)C2CC2)n1 ZINC000183542297 432302046 /nfs/dbraw/zinc/30/20/46/432302046.db2.gz WMFSCHPQQSHXFE-RDJZCZTQSA-N 1 0 302.443 3.400 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000128555354 431996277 /nfs/dbraw/zinc/99/62/77/431996277.db2.gz BARPRYUERRJSDP-ZDUSSCGKSA-N 1 0 304.463 3.065 10 0 DGAERO CC(C)CCn1cccc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128558837 431996602 /nfs/dbraw/zinc/99/66/02/431996602.db2.gz OYAKIBSVXUTBSZ-MRXNPFEDSA-N 1 0 300.450 3.257 10 0 DGAERO C[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000102687666 431996867 /nfs/dbraw/zinc/99/68/67/431996867.db2.gz ZZOFCZRCJIOXNS-LBPRGKRZSA-N 1 0 304.340 3.278 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000102688226 431997450 /nfs/dbraw/zinc/99/74/50/431997450.db2.gz HKZJRLJPRHCGJU-LLVKDONJSA-N 1 0 322.330 3.071 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nccn2-c2ccccc2)[C@H](C)C1 ZINC000191396971 432261157 /nfs/dbraw/zinc/26/11/57/432261157.db2.gz UMKHXVLAYJUOBE-AEFFLSMTSA-N 1 0 312.461 3.034 10 0 DGAERO C[C@@H]([NH2+]Cc1c(F)cccc1Br)[C@@H]1CCCO1 ZINC000183146718 432263610 /nfs/dbraw/zinc/26/36/10/432263610.db2.gz DJVWNWJXHSMPFU-RNCFNFMXSA-N 1 0 302.187 3.245 10 0 DGAERO Cc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000248041913 432264559 /nfs/dbraw/zinc/26/45/59/432264559.db2.gz MEZWRRDLKKLXDB-CTNGQTDRSA-N 1 0 322.452 3.489 10 0 DGAERO CCCCC[C@H](C)CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000173252684 432267047 /nfs/dbraw/zinc/26/70/47/432267047.db2.gz JMLNYWJZDWXPER-DLBZAZTESA-N 1 0 324.509 3.305 10 0 DGAERO CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248081102 432267105 /nfs/dbraw/zinc/26/71/05/432267105.db2.gz RVAYDFGJXPYQHK-HOTGVXAUSA-N 1 0 303.450 3.310 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H]1CCCc2sccc21 ZINC000248780142 432317526 /nfs/dbraw/zinc/31/75/26/432317526.db2.gz ZVEXKBDCHYEGOP-ZFWWWQNUSA-N 1 0 321.490 3.251 10 0 DGAERO c1cc(OCC2CC2)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000248819726 432319720 /nfs/dbraw/zinc/31/97/20/432319720.db2.gz FHEGOGVUPUOBEI-QZTJIDSGSA-N 1 0 319.470 3.182 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCc2cc3ccccc3o2)CC[N@@H+]1C ZINC000174077319 432320474 /nfs/dbraw/zinc/32/04/74/432320474.db2.gz GNWXUIKYLBEPDV-DZGCQCFKSA-N 1 0 315.417 3.057 10 0 DGAERO COC(=O)c1sccc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191970788 432320785 /nfs/dbraw/zinc/32/07/85/432320785.db2.gz DEODAWLJSSBUIU-CABCVRRESA-N 1 0 317.410 3.155 10 0 DGAERO C[C@H](C(=O)N1CCC(c2ccncc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000248841904 432322152 /nfs/dbraw/zinc/32/21/52/432322152.db2.gz QEASXZNOIVOEPO-BZUAXINKSA-N 1 0 315.461 3.049 10 0 DGAERO O=C1O[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC12CCC2 ZINC000248826593 432322619 /nfs/dbraw/zinc/32/26/19/432322619.db2.gz HCCUEDJFAKSWRE-HZPDHXFCSA-N 1 0 303.377 3.448 10 0 DGAERO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000248855092 432324056 /nfs/dbraw/zinc/32/40/56/432324056.db2.gz MQHAIHITLYHVBP-FZCLSBEQSA-N 1 0 318.461 3.190 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000248872634 432326197 /nfs/dbraw/zinc/32/61/97/432326197.db2.gz BHDKASOODHDUND-ZIAGYGMSSA-N 1 0 321.465 3.032 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248908864 432328945 /nfs/dbraw/zinc/32/89/45/432328945.db2.gz VCCWPVOITNRGMU-JBBXEZCESA-N 1 0 302.418 3.253 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](C[C@H]3CC[C@H](C)O3)C2)c1 ZINC000248958173 432330961 /nfs/dbraw/zinc/33/09/61/432330961.db2.gz OXMXKSPJUBMPPX-SQWLQELKSA-N 1 0 305.418 3.061 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000248969922 432331413 /nfs/dbraw/zinc/33/14/13/432331413.db2.gz RYTODXZOHHOMCX-IRXDYDNUSA-N 1 0 305.466 3.115 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)Oc2ccccc2)C12CCOCC2 ZINC000248970952 432331496 /nfs/dbraw/zinc/33/14/96/432331496.db2.gz GQPZOFBJCBDFLK-CGTJXYLNSA-N 1 0 319.445 3.018 10 0 DGAERO CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000174233095 432331666 /nfs/dbraw/zinc/33/16/66/432331666.db2.gz MKAATHQJRCDABH-ZWKOTPCHSA-N 1 0 317.477 3.133 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000249737461 432355366 /nfs/dbraw/zinc/35/53/66/432355366.db2.gz WMXHANKLCBKDEW-IRXDYDNUSA-N 1 0 309.425 3.009 10 0 DGAERO CCO[C@@H]1C[C@H](Nc2cc(C)nc(C3CC3)n2)C12CCOCC2 ZINC000184105866 432355353 /nfs/dbraw/zinc/35/53/53/432355353.db2.gz YBPBIJHCZLVXTR-LSDHHAIUSA-N 1 0 317.433 3.049 10 0 DGAERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000249057606 432335713 /nfs/dbraw/zinc/33/57/13/432335713.db2.gz XXDRLPQULXQGNC-FRQCXROJSA-N 1 0 301.478 3.460 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(O)c2)C12CCOCC2 ZINC000249061596 432336225 /nfs/dbraw/zinc/33/62/25/432336225.db2.gz YOUBMGXJCYEZAR-KBRIMQKVSA-N 1 0 305.418 3.017 10 0 DGAERO FC(F)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000183946606 432338091 /nfs/dbraw/zinc/33/80/91/432338091.db2.gz HUXXLKHIMZKVPD-AWEZNQCLSA-N 1 0 306.360 3.128 10 0 DGAERO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@@H](O)CC1CCCC1 ZINC000249122851 432339388 /nfs/dbraw/zinc/33/93/88/432339388.db2.gz TUMFVCAUOKVJSH-UVQUFPMPSA-N 1 0 323.502 3.358 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC[C@H]1C ZINC000249133327 432339521 /nfs/dbraw/zinc/33/95/21/432339521.db2.gz DIJUMHWJTPJOFC-IAQYHMDHSA-N 1 0 321.371 3.212 10 0 DGAERO CC(C)CSCCC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152556397 432339993 /nfs/dbraw/zinc/33/99/93/432339993.db2.gz PHPMIJHOVRCHMJ-INIZCTEOSA-N 1 0 322.522 3.157 10 0 DGAERO CSCCCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000174370277 432340017 /nfs/dbraw/zinc/34/00/17/432340017.db2.gz AEAZZEZDASEIQB-UHFFFAOYSA-N 1 0 319.474 3.285 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCCN2CCCCCC2=O)ccc1F ZINC000152589770 432340820 /nfs/dbraw/zinc/34/08/20/432340820.db2.gz BIDRHHMNOKCVIY-CQSZACIVSA-N 1 0 322.424 3.278 10 0 DGAERO CCc1csc([C@@H]2CCC[N@H+](C[C@@H](O)CC(F)(F)F)C2)n1 ZINC000249283718 432342787 /nfs/dbraw/zinc/34/27/87/432342787.db2.gz LHVOIESHEOJCEE-PWSUYJOCSA-N 1 0 322.396 3.198 10 0 DGAERO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3nccnc3C)C2)cc1 ZINC000249215547 432343036 /nfs/dbraw/zinc/34/30/36/432343036.db2.gz ZUMNUMSJZVTUEE-IAGOWNOFSA-N 1 0 310.445 3.413 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000249215525 432343562 /nfs/dbraw/zinc/34/35/62/432343562.db2.gz ZSUUZNYZQCKRJS-UWWQBHOKSA-N 1 0 310.445 3.099 10 0 DGAERO COC[C@H](C)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184019535 432345778 /nfs/dbraw/zinc/34/57/78/432345778.db2.gz RLAHFJXYIBFIQF-FZMZJTMJSA-N 1 0 303.324 3.114 10 0 DGAERO OCCCCCN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000184010648 432346080 /nfs/dbraw/zinc/34/60/80/432346080.db2.gz NPLLLPBNJCJXNJ-OAHLLOKOSA-N 1 0 317.351 3.241 10 0 DGAERO COc1cc(C)c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000249474348 432347937 /nfs/dbraw/zinc/34/79/37/432347937.db2.gz VGABQSZBTNLNBN-QWHCGFSZSA-N 1 0 323.412 3.089 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC1=CCCOC1 ZINC000249442509 432349353 /nfs/dbraw/zinc/34/93/53/432349353.db2.gz MNCQZUJSJGWHOQ-BBWFWOEESA-N 1 0 321.461 3.308 10 0 DGAERO COc1ccc(C[NH2+]CC2(C)OCCCO2)c2ccccc12 ZINC000192251037 432350174 /nfs/dbraw/zinc/35/01/74/432350174.db2.gz AWURKAALNICHNP-UHFFFAOYSA-N 1 0 301.386 3.091 10 0 DGAERO CCCOc1c(C[NH2+]CC2(C)OCCCO2)cccc1OCC ZINC000192253277 432350343 /nfs/dbraw/zinc/35/03/43/432350343.db2.gz DMXWIEJDHQUBRY-UHFFFAOYSA-N 1 0 323.433 3.117 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)ccc1F ZINC000152734741 432352493 /nfs/dbraw/zinc/35/24/93/432352493.db2.gz XTMLVWIGOLGZTI-LLVKDONJSA-N 1 0 305.397 3.078 10 0 DGAERO CC(C)COC1CC[NH+]([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000249686192 432353655 /nfs/dbraw/zinc/35/36/55/432353655.db2.gz ONRGCYGXHAZHEI-BBWFWOEESA-N 1 0 324.509 3.016 10 0 DGAERO CC1CC[NH+]([C@@H](CNCc2cocn2)c2cccs2)CC1 ZINC000192280044 432354447 /nfs/dbraw/zinc/35/44/47/432354447.db2.gz MLPHPGOHIHKBMA-HNNXBMFYSA-N 1 0 305.447 3.299 10 0 DGAERO CC[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)c1ccccc1 ZINC000173911820 432306049 /nfs/dbraw/zinc/30/60/49/432306049.db2.gz XDXYOVKBZZMAKQ-DLBZAZTESA-N 1 0 317.477 3.088 10 0 DGAERO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H]2Cc3ccccc3[C@H]2O)o1 ZINC000248613949 432306037 /nfs/dbraw/zinc/30/60/37/432306037.db2.gz JKTCZRFTJKYEOH-JENIJYKNSA-N 1 0 313.397 3.221 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(Cc2sc(C)nc2C(F)(F)F)C1 ZINC000183592628 432306429 /nfs/dbraw/zinc/30/64/29/432306429.db2.gz SEFDPFOBKRMHQS-LLVKDONJSA-N 1 0 321.412 3.386 10 0 DGAERO CCc1cc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)ccc1C ZINC000183608734 432308782 /nfs/dbraw/zinc/30/87/82/432308782.db2.gz HSMISQXMRPHIIF-GOSISDBHSA-N 1 0 318.461 3.289 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)nc2)C12CCOCC2 ZINC000248638090 432310068 /nfs/dbraw/zinc/31/00/68/432310068.db2.gz LVSIAMXIMUAHBE-VHDGCEQUSA-N 1 0 324.852 3.360 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)C2CCOCC2)s1 ZINC000183644402 432313264 /nfs/dbraw/zinc/31/32/64/432313264.db2.gz NAXHTYJPGBIEHH-QMMMGPOBSA-N 1 0 308.369 3.375 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248736792 432314242 /nfs/dbraw/zinc/31/42/42/432314242.db2.gz DROPRQPMNOSHAT-XOKHGSTOSA-N 1 0 311.372 3.200 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184258807 432372822 /nfs/dbraw/zinc/37/28/22/432372822.db2.gz LRONCRZZLMIMDG-GJZGRUSLSA-N 1 0 307.401 3.383 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC000152976174 432373846 /nfs/dbraw/zinc/37/38/46/432373846.db2.gz GJFWLPAGGOSXTG-HUUCEWRRSA-N 1 0 307.438 3.069 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC000152976276 432374308 /nfs/dbraw/zinc/37/43/08/432374308.db2.gz GJFWLPAGGOSXTG-LSDHHAIUSA-N 1 0 307.438 3.069 10 0 DGAERO CC1CC([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000184279125 432375130 /nfs/dbraw/zinc/37/51/30/432375130.db2.gz FJBDENOFMAKVOR-UHFFFAOYSA-N 1 0 313.367 3.457 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000184311276 432377873 /nfs/dbraw/zinc/37/78/73/432377873.db2.gz FGSMZXBBNYHROW-IAGOWNOFSA-N 1 0 318.486 3.466 10 0 DGAERO Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)nc(-c2ccncc2)n1 ZINC000174921179 432381154 /nfs/dbraw/zinc/38/11/54/432381154.db2.gz GXSJHEJAJMYJJL-JKSUJKDBSA-N 1 0 311.433 3.132 10 0 DGAERO Cc1nnc([C@@H](N[C@@H](C)c2cncc(C)c2)c2ccccc2)[nH]1 ZINC000184339897 432381268 /nfs/dbraw/zinc/38/12/68/432381268.db2.gz MLRBLZQYWDJZOM-GUYCJALGSA-N 1 0 307.401 3.257 10 0 DGAERO c1coc(-c2nc(CN3CC[N@@H+]4CCCC[C@H]4C3)cs2)c1 ZINC000252648853 432384655 /nfs/dbraw/zinc/38/46/55/432384655.db2.gz NKBBYKPWBOTTPA-AWEZNQCLSA-N 1 0 303.431 3.073 10 0 DGAERO CC(C)CCOc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000174981159 432384668 /nfs/dbraw/zinc/38/46/68/432384668.db2.gz ZGQFTBNIFGXQJC-INIZCTEOSA-N 1 0 319.449 3.279 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2ccc(C)nc21 ZINC000174983318 432385470 /nfs/dbraw/zinc/38/54/70/432385470.db2.gz FREAHXWDYWDIAM-IAGOWNOFSA-N 1 0 323.440 3.242 10 0 DGAERO Fc1ccc(-n2ccc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)n2)cc1 ZINC000153118931 432385508 /nfs/dbraw/zinc/38/55/08/432385508.db2.gz OKYHUCRXSOWFDS-KDOFPFPSSA-N 1 0 315.392 3.012 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc(C(C)(C)C)s1 ZINC000174972430 432385569 /nfs/dbraw/zinc/38/55/69/432385569.db2.gz ABBNWGLMBAFFKJ-QWHCGFSZSA-N 1 0 321.490 3.139 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](C)c1ccccc1 ZINC000174994058 432386942 /nfs/dbraw/zinc/38/69/42/432386942.db2.gz AMNJQXXRQIPQOM-KBAYOESNSA-N 1 0 300.446 3.265 10 0 DGAERO CSCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000192565895 432388202 /nfs/dbraw/zinc/38/82/02/432388202.db2.gz OHXJAXOCYBAJST-HNNXBMFYSA-N 1 0 320.502 3.430 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000153166287 432389544 /nfs/dbraw/zinc/38/95/44/432389544.db2.gz MWDLPEFCCKIIPB-GOEBONIOSA-N 1 0 316.445 3.360 10 0 DGAERO Cc1noc([C@@H]2CCCN(CCC(Cl)(Cl)Cl)C2)n1 ZINC000184469022 432395043 /nfs/dbraw/zinc/39/50/43/432395043.db2.gz JAMCMODZHORKMW-SECBINFHSA-N 1 0 312.628 3.318 10 0 DGAERO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1OC ZINC000192670839 432398034 /nfs/dbraw/zinc/39/80/34/432398034.db2.gz JDMFNPGNFDLMNF-OLZOCXBDSA-N 1 0 303.406 3.158 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253545426 432399443 /nfs/dbraw/zinc/39/94/43/432399443.db2.gz SCNUVVNQYOAJDM-RFQIPJPRSA-N 1 0 322.424 3.273 10 0 DGAERO CC/C=C/CC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000184526497 432402025 /nfs/dbraw/zinc/40/20/25/432402025.db2.gz BORLBMWKPXCGOV-DWTRPJMMSA-N 1 0 308.491 3.410 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192712140 432404086 /nfs/dbraw/zinc/40/40/86/432404086.db2.gz OEFXUNBGXKJWKL-QZTJIDSGSA-N 1 0 312.413 3.265 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C/C=C\c1cccc(F)c1 ZINC000255000561 432406364 /nfs/dbraw/zinc/40/63/64/432406364.db2.gz YJMRHWGTWXYYQT-GTBONMDNSA-N 1 0 304.409 3.220 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000249856716 432360274 /nfs/dbraw/zinc/36/02/74/432360274.db2.gz QGWRXCZSDTXQTG-OTWHNJEPSA-N 1 0 310.445 3.425 10 0 DGAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1ccc(F)cc1 ZINC000249855829 432360306 /nfs/dbraw/zinc/36/03/06/432360306.db2.gz DBVPUJQSAAENMU-HIFRSBDPSA-N 1 0 306.406 3.195 10 0 DGAERO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000250044856 432361770 /nfs/dbraw/zinc/36/17/70/432361770.db2.gz HPJVKQGRQABGAB-JKSUJKDBSA-N 1 0 321.461 3.049 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)N1CCC(C)CC1 ZINC000192358464 432364887 /nfs/dbraw/zinc/36/48/87/432364887.db2.gz YXFMEQZPQQDMOQ-WMLDXEAASA-N 1 0 316.445 3.006 10 0 DGAERO c1nc2ccccn2c1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192377040 432366811 /nfs/dbraw/zinc/36/68/11/432366811.db2.gz PEAAPFYWWBCZMJ-LPHOPBHVSA-N 1 0 307.397 3.202 10 0 DGAERO O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250909326 432367928 /nfs/dbraw/zinc/36/79/28/432367928.db2.gz WQISGZCLLOKVAJ-GLQYFDAESA-N 1 0 310.800 3.016 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000174746679 432368225 /nfs/dbraw/zinc/36/82/25/432368225.db2.gz UKJCKORSRSPFQV-SJORKVTESA-N 1 0 317.477 3.337 10 0 DGAERO NC(=O)[C@H]([NH2+]CCC1=CCCC1)c1ccc(Br)cc1 ZINC000152935757 432368251 /nfs/dbraw/zinc/36/82/51/432368251.db2.gz VTBHGANXFAJPKV-CQSZACIVSA-N 1 0 323.234 3.066 10 0 DGAERO CSCc1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000184783293 432431755 /nfs/dbraw/zinc/43/17/55/432431755.db2.gz PKTFZEQDVIMBSC-CJNGLKHVSA-N 1 0 321.490 3.400 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC[C@@H](C)[C@H]3C[NH3+])c2c1C ZINC000261606554 432432255 /nfs/dbraw/zinc/43/22/55/432432255.db2.gz CYSLBKALPFWLMR-NOZJJQNGSA-N 1 0 304.463 3.180 10 0 DGAERO Cc1cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)ccc1Cl ZINC000261605976 432433270 /nfs/dbraw/zinc/43/32/70/432433270.db2.gz BCWJFJZUCVLMIZ-QGZVFWFLSA-N 1 0 301.821 3.190 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C1(Cc2ccccc2)CC1 ZINC000261616795 432434221 /nfs/dbraw/zinc/43/42/21/432434221.db2.gz GZBOLSANYUQFRY-OQSMONGASA-N 1 0 312.457 3.032 10 0 DGAERO C[NH+](C)C1CCN(C(=O)CCC(C)(C)c2ccccc2)CC1 ZINC000153719456 432435427 /nfs/dbraw/zinc/43/54/27/432435427.db2.gz QGDDFABQPCEDNU-UHFFFAOYSA-N 1 0 302.462 3.297 10 0 DGAERO CC(C)Oc1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261623716 432435461 /nfs/dbraw/zinc/43/54/61/432435461.db2.gz DFZJJUWDQDLSEJ-IBGZPJMESA-N 1 0 311.429 3.015 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000184855747 432439182 /nfs/dbraw/zinc/43/91/82/432439182.db2.gz MFNSQQARZRVMTO-QZTJIDSGSA-N 1 0 300.446 3.191 10 0 DGAERO FC(F)(F)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261657278 432439436 /nfs/dbraw/zinc/43/94/36/432439436.db2.gz BVVVVKRZZPCQSO-GFCCVEGCSA-N 1 0 304.381 3.255 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCc1ccc(Cl)cc1 ZINC000261673037 432440154 /nfs/dbraw/zinc/44/01/54/432440154.db2.gz BYYAAEMLAHPTDJ-BDQJQXKSSA-N 1 0 320.864 3.295 10 0 DGAERO CC[C@@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)CCO1 ZINC000261702910 432441940 /nfs/dbraw/zinc/44/19/40/432441940.db2.gz LRQNOPJURHIDNR-HDMKZQKVSA-N 1 0 322.880 3.492 10 0 DGAERO [NH3+]C1(c2noc([C@H]3C[C@H]3c3ccc(F)c(F)c3)n2)CCCC1 ZINC000261694662 432442262 /nfs/dbraw/zinc/44/22/62/432442262.db2.gz HRKQHVQVFPGYTA-QWRGUYRKSA-N 1 0 305.328 3.347 10 0 DGAERO OCc1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)cc1F ZINC000193038000 432442605 /nfs/dbraw/zinc/44/26/05/432442605.db2.gz AIZFQQXNXACXSD-UHFFFAOYSA-N 1 0 318.373 3.324 10 0 DGAERO COc1c(C)cc(C[N@H+](C)CCO[C@@H]2CCCCO2)cc1C ZINC000193048107 432443853 /nfs/dbraw/zinc/44/38/53/432443853.db2.gz RMVLBKMIDBCCHL-QGZVFWFLSA-N 1 0 307.434 3.287 10 0 DGAERO CC(C)C[C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000184913459 432443983 /nfs/dbraw/zinc/44/39/83/432443983.db2.gz RFYZZBKPVOJIMG-OAHLLOKOSA-N 1 0 318.461 3.264 10 0 DGAERO C[C@H]1CN(C(=O)NCCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000175514488 432444217 /nfs/dbraw/zinc/44/42/17/432444217.db2.gz KVLFTTQONPDTPA-FUHWJXTLSA-N 1 0 315.461 3.265 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cccc(N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000261746287 432446846 /nfs/dbraw/zinc/44/68/46/432446846.db2.gz VLXDLIYFDBSQMD-ACJLOTCBSA-N 1 0 300.377 3.370 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000153840051 432448927 /nfs/dbraw/zinc/44/89/27/432448927.db2.gz UWAFWVIXJWSWKL-QGZVFWFLSA-N 1 0 316.445 3.109 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC000184961033 432449498 /nfs/dbraw/zinc/44/94/98/432449498.db2.gz KFIPQUAFJKRJJU-HOTGVXAUSA-N 1 0 315.461 3.059 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H]3c3cccs3)on2)cn1 ZINC000184971807 432450281 /nfs/dbraw/zinc/45/02/81/432450281.db2.gz HZWAKUZZNDWSQL-OAHLLOKOSA-N 1 0 314.414 3.474 10 0 DGAERO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2C[C@H]2C(C)C)cc1 ZINC000184964023 432450423 /nfs/dbraw/zinc/45/04/23/432450423.db2.gz PJFNSPSYWHVSLV-ROUUACIJSA-N 1 0 302.462 3.437 10 0 DGAERO CCC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccnc1 ZINC000184989246 432453305 /nfs/dbraw/zinc/45/33/05/432453305.db2.gz KPPCSUGSICBTDP-QGZVFWFLSA-N 1 0 307.401 3.293 10 0 DGAERO O=C(NCCC1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175617395 432454073 /nfs/dbraw/zinc/45/40/73/432454073.db2.gz RBJBXXGGWXUDLM-UHFFFAOYSA-N 1 0 307.482 3.273 10 0 DGAERO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OCCC(C)C)cc2)C1 ZINC000153900986 432454334 /nfs/dbraw/zinc/45/43/34/432454334.db2.gz XOPBDOFQYLFPNS-SFHVURJKSA-N 1 0 318.461 3.212 10 0 DGAERO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185021148 432457533 /nfs/dbraw/zinc/45/75/33/432457533.db2.gz ZHTOYOVTQKXWNM-RDTXWAMCSA-N 1 0 322.412 3.453 10 0 DGAERO COC(=O)C1(C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000192752041 432409101 /nfs/dbraw/zinc/40/91/01/432409101.db2.gz VKKWPQHNJJMCSI-NWDGAFQWSA-N 1 0 318.442 3.331 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000255614546 432413000 /nfs/dbraw/zinc/41/30/00/432413000.db2.gz RCAQCCSTDQYBMS-DSLFPGPSSA-N 1 0 304.409 3.028 10 0 DGAERO c1cc([C@@H]2CCCN2CCC[NH+]2CCCC2)cc2c1OCO2 ZINC000153480704 432413917 /nfs/dbraw/zinc/41/39/17/432413917.db2.gz SZPITWVXWUQGFG-INIZCTEOSA-N 1 0 302.418 3.038 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184651661 432415891 /nfs/dbraw/zinc/41/58/91/432415891.db2.gz WPECJFVTJPZFLT-LLVKDONJSA-N 1 0 310.825 3.455 10 0 DGAERO COc1ccccc1[C@@H](NC(=O)CC[C@H](C)[NH3+])c1ccccc1 ZINC000193246810 432458722 /nfs/dbraw/zinc/45/87/22/432458722.db2.gz XEBZCSDRXHEOJU-LIRRHRJNSA-N 1 0 312.413 3.028 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000153531020 432416196 /nfs/dbraw/zinc/41/61/96/432416196.db2.gz AGIBBRDATWYWBP-ZFWWWQNUSA-N 1 0 324.490 3.253 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1Cl ZINC000192812632 432418010 /nfs/dbraw/zinc/41/80/10/432418010.db2.gz WNBRWVQFXFCQJD-UONOGXRCSA-N 1 0 316.836 3.450 10 0 DGAERO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000192855107 432422750 /nfs/dbraw/zinc/42/27/50/432422750.db2.gz VGWOEHFYEAPSQH-AWEZNQCLSA-N 1 0 310.397 3.487 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000175363002 432427335 /nfs/dbraw/zinc/42/73/35/432427335.db2.gz WBSCVWLGSKPXNO-INIZCTEOSA-N 1 0 317.408 3.397 10 0 DGAERO CCC1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000193425463 432472878 /nfs/dbraw/zinc/47/28/78/432472878.db2.gz ILNAXMLREFHZNT-UHFFFAOYSA-N 1 0 321.509 3.473 10 0 DGAERO C[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000175893338 432475696 /nfs/dbraw/zinc/47/56/96/432475696.db2.gz ZPTSQIQWHZINED-NWDGAFQWSA-N 1 0 312.866 3.202 10 0 DGAERO CCc1c(C)[nH+]c2ccccc2c1N[C@H]1CCc2ncnn2C1 ZINC000272282050 432475803 /nfs/dbraw/zinc/47/58/03/432475803.db2.gz YITANEQBSMPOJC-ZDUSSCGKSA-N 1 0 307.401 3.124 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)ccc1F ZINC000154145315 432476310 /nfs/dbraw/zinc/47/63/10/432476310.db2.gz VRBFIZYJOMMYBI-BBRMVZONSA-N 1 0 303.377 3.261 10 0 DGAERO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000185200673 432476372 /nfs/dbraw/zinc/47/63/72/432476372.db2.gz BEVSZNRIEYMXGL-ROUUACIJSA-N 1 0 314.429 3.211 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccncc3)C2)c1 ZINC000154153537 432477274 /nfs/dbraw/zinc/47/72/74/432477274.db2.gz JZIRDCGBLFRNFE-HZPDHXFCSA-N 1 0 311.429 3.267 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000185208393 432478208 /nfs/dbraw/zinc/47/82/08/432478208.db2.gz BWXXWVIWNWXMRO-RCCFBDPRSA-N 1 0 306.494 3.249 10 0 DGAERO CCOCc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175928228 432478543 /nfs/dbraw/zinc/47/85/43/432478543.db2.gz WZXXIXJWJQEZFE-RHSMWYFYSA-N 1 0 319.449 3.170 10 0 DGAERO C[C@@H]1CCC[C@@H](CC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000262238346 432478915 /nfs/dbraw/zinc/47/89/15/432478915.db2.gz OUCFUXXZLXHJRA-RWQQGDIJSA-N 1 0 314.473 3.404 10 0 DGAERO CN(C)[C@H](C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccco1 ZINC000175976862 432481869 /nfs/dbraw/zinc/48/18/69/432481869.db2.gz DCDHERZSAMQCOL-MRXNPFEDSA-N 1 0 310.401 3.062 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccccc1CN1CCSCC1 ZINC000185243075 432482658 /nfs/dbraw/zinc/48/26/58/432482658.db2.gz PHOZQITZPYXAFU-HZPDHXFCSA-N 1 0 318.486 3.466 10 0 DGAERO CCCCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154227465 432482838 /nfs/dbraw/zinc/48/28/38/432482838.db2.gz YKPVMFFQTMSEMT-RDJZCZTQSA-N 1 0 310.482 3.105 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000185250964 432483288 /nfs/dbraw/zinc/48/32/88/432483288.db2.gz PJKYLVPAXUKSLJ-DLBZAZTESA-N 1 0 307.482 3.151 10 0 DGAERO CCc1onc(C)c1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262404028 432484106 /nfs/dbraw/zinc/48/41/06/432484106.db2.gz PWODIPYQYAYRKQ-INIZCTEOSA-N 1 0 323.396 3.128 10 0 DGAERO CC(=O)NC[C@@H]1CCCN(c2c(C)c[nH+]c3c(C)cccc32)C1 ZINC000185281985 432485611 /nfs/dbraw/zinc/48/56/11/432485611.db2.gz JCQGEOCIFKPYCQ-INIZCTEOSA-N 1 0 311.429 3.204 10 0 DGAERO CC[C@@H]1CCCC[C@H]1OCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000185281104 432486259 /nfs/dbraw/zinc/48/62/59/432486259.db2.gz QIJLEAMZYLVXCI-GPQLOAJWSA-N 1 0 324.509 3.208 10 0 DGAERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c(Cl)c1 ZINC000262421196 432486596 /nfs/dbraw/zinc/48/65/96/432486596.db2.gz DYZAXXBUHDBFTA-FABXCBLPSA-N 1 0 322.836 3.119 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000185316377 432488999 /nfs/dbraw/zinc/48/89/99/432488999.db2.gz FADNCAOVKSEZRQ-MRXNPFEDSA-N 1 0 317.433 3.008 10 0 DGAERO C[C@H]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC2)c2ccccc21 ZINC000185595178 432512652 /nfs/dbraw/zinc/51/26/52/432512652.db2.gz YONTYQUPATWFPA-KBXCAEBGSA-N 1 0 315.461 3.361 10 0 DGAERO CCC1(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCC1 ZINC000176082180 432491554 /nfs/dbraw/zinc/49/15/54/432491554.db2.gz GLPJZYAFICELCA-UHFFFAOYSA-N 1 0 307.413 3.019 10 0 DGAERO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262595039 432492313 /nfs/dbraw/zinc/49/23/13/432492313.db2.gz IZLCBSMYFSGILE-SJORKVTESA-N 1 0 318.461 3.096 10 0 DGAERO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000262594190 432493218 /nfs/dbraw/zinc/49/32/18/432493218.db2.gz WUSPQLBOGMQARX-RKVPGOIHSA-N 1 0 300.446 3.150 10 0 DGAERO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@H](CO)CC(C)C ZINC000185353071 432493988 /nfs/dbraw/zinc/49/39/88/432493988.db2.gz SJRSKMPRHNFSNW-KRWDZBQOSA-N 1 0 307.434 3.127 10 0 DGAERO Cc1ccc(-c2cc(C[N@@H+](C)[C@@H](CO)CC(C)C)on2)cc1 ZINC000185352850 432494100 /nfs/dbraw/zinc/49/41/00/432494100.db2.gz QOWGLCPSNYBKBT-MRXNPFEDSA-N 1 0 302.418 3.489 10 0 DGAERO Cc1ccc(C[C@H]2CCCN2Cc2nsc(N(C)C)n2)cc1 ZINC000154378536 432494869 /nfs/dbraw/zinc/49/48/69/432494869.db2.gz FUWJMLXQMUFKNX-OAHLLOKOSA-N 1 0 316.474 3.120 10 0 DGAERO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)CCCCCC[NH3+])cc1 ZINC000262633804 432496519 /nfs/dbraw/zinc/49/65/19/432496519.db2.gz OFMQGGCVLQCNSV-HKUYNNGSSA-N 1 0 318.461 3.241 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCc1ccsc1 ZINC000193757573 432497003 /nfs/dbraw/zinc/49/70/03/432497003.db2.gz LVAWZEDZXIGKHV-OAHLLOKOSA-N 1 0 323.506 3.244 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000262723487 432499103 /nfs/dbraw/zinc/49/91/03/432499103.db2.gz GLBWRVIDUVRXST-DOMZBBRYSA-N 1 0 308.853 3.023 10 0 DGAERO C[C@@H]1[NH2+]CCN(C(=O)c2cccc(OCc3ccccc3)c2)[C@H]1C ZINC000262734440 432499221 /nfs/dbraw/zinc/49/92/21/432499221.db2.gz CDMQGWIFAVPERG-HOTGVXAUSA-N 1 0 324.424 3.088 10 0 DGAERO CC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1nc(C)cs1 ZINC000176335794 432512990 /nfs/dbraw/zinc/51/29/90/432512990.db2.gz MSWILUZKUXYXRO-KBPBESRZSA-N 1 0 324.494 3.028 10 0 DGAERO C=Cn1cc(C[NH+]2CCC(Cc3ccc(OC)cc3)CC2)cn1 ZINC000193836761 432503131 /nfs/dbraw/zinc/50/31/31/432503131.db2.gz QBILHLGYJASVIU-UHFFFAOYSA-N 1 0 311.429 3.447 10 0 DGAERO Cc1cccc(C2(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CCCCC2)c1 ZINC000262848664 432505793 /nfs/dbraw/zinc/50/57/93/432505793.db2.gz SCJWZOZDDSNZCT-WMZOPIPTSA-N 1 0 314.473 3.311 10 0 DGAERO CC(C)c1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c2ccccc2n1 ZINC000262911969 432507553 /nfs/dbraw/zinc/50/75/53/432507553.db2.gz YPSGXDGCAQIZPK-CZUORRHYSA-N 1 0 311.429 3.086 10 0 DGAERO COc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1 ZINC000185537940 432509334 /nfs/dbraw/zinc/50/93/34/432509334.db2.gz BWGHWIMGHHPABI-CQSZACIVSA-N 1 0 305.422 3.081 10 0 DGAERO CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CCCC1 ZINC000261938385 432461738 /nfs/dbraw/zinc/46/17/38/432461738.db2.gz MMSVLHORGSEXLU-RCCFBDPRSA-N 1 0 308.510 3.340 10 0 DGAERO CC[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1cccs1 ZINC000185060414 432462203 /nfs/dbraw/zinc/46/22/03/432462203.db2.gz WPAUCEQBYLQTHV-CYBMUJFWSA-N 1 0 302.403 3.378 10 0 DGAERO C[C@H]1CCCC[C@H]1OCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261946404 432463461 /nfs/dbraw/zinc/46/34/61/432463461.db2.gz FIOZAMDBNDLBSM-SWLSCSKDSA-N 1 0 301.390 3.291 10 0 DGAERO Fc1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261971939 432465326 /nfs/dbraw/zinc/46/53/26/432465326.db2.gz QLPIPKLLAQINFE-MRXNPFEDSA-N 1 0 305.784 3.021 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)c1ccnn1C ZINC000193314011 432465739 /nfs/dbraw/zinc/46/57/39/432465739.db2.gz GUDKRZNNGWMSPI-VQIMIIECSA-N 1 0 312.461 3.125 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C(C)(C)C[NH+](C)C ZINC000175805473 432466294 /nfs/dbraw/zinc/46/62/94/432466294.db2.gz JIRHLDDHTFBZAO-IACUBPJLSA-N 1 0 324.415 3.161 10 0 DGAERO CC[C@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000193335242 432467101 /nfs/dbraw/zinc/46/71/01/432467101.db2.gz FHEZYWGOINAGJS-PMACEKPBSA-N 1 0 324.468 3.469 10 0 DGAERO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000261989819 432467643 /nfs/dbraw/zinc/46/76/43/432467643.db2.gz SYILJWUYBDNJPJ-NSHDSACASA-N 1 0 315.339 3.169 10 0 DGAERO CN(c1ccccc1)c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cn1 ZINC000261991231 432467725 /nfs/dbraw/zinc/46/77/25/432467725.db2.gz SJEWLOIDBQNKFH-LJQANCHMSA-N 1 0 322.456 3.176 10 0 DGAERO COc1cccc(F)c1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000186174509 432565119 /nfs/dbraw/zinc/56/51/19/432565119.db2.gz PIXPVCVETOZWQR-UHFFFAOYSA-N 1 0 323.412 3.219 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000155412944 432554179 /nfs/dbraw/zinc/55/41/79/432554179.db2.gz QMQRJCNYKFVNRW-RISCZKNCSA-N 1 0 314.351 3.164 10 0 DGAERO C[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000176815228 432554885 /nfs/dbraw/zinc/55/48/85/432554885.db2.gz ZYKVRTXYRHSMBG-UONOGXRCSA-N 1 0 321.440 3.217 10 0 DGAERO Cc1ccc(CCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC000155528923 432559594 /nfs/dbraw/zinc/55/95/94/432559594.db2.gz HVAGOVRCAFZJQD-WMZOPIPTSA-N 1 0 302.462 3.081 10 0 DGAERO CC[C@H](Oc1ccccc1C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000176869936 432561293 /nfs/dbraw/zinc/56/12/93/432561293.db2.gz RONCXVVEEQSDPT-ZACQAIPSSA-N 1 0 318.461 3.094 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)cc2c1C ZINC000155585527 432561885 /nfs/dbraw/zinc/56/18/85/432561885.db2.gz GWRQUPKZRQUBKI-KPZWWZAWSA-N 1 0 313.445 3.243 10 0 DGAERO CN(CC[NH+](C)C)C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000176378308 432517168 /nfs/dbraw/zinc/51/71/68/432517168.db2.gz GPWGVMQVAYUELH-UHFFFAOYSA-N 1 0 304.434 3.032 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](C[C@@H]3CCC=CO3)C2)c1 ZINC000194045246 432518497 /nfs/dbraw/zinc/51/84/97/432518497.db2.gz CMYGJTPSWYRUGE-HOCLYGCPSA-N 1 0 303.402 3.186 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000185655746 432519805 /nfs/dbraw/zinc/51/98/05/432519805.db2.gz KUAQRMOFCPGXPF-WFASDCNBSA-N 1 0 300.402 3.153 10 0 DGAERO C[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1ccc(F)cc1F ZINC000263123576 432520683 /nfs/dbraw/zinc/52/06/83/432520683.db2.gz BDBNIMMZNDESFP-ZLENFMNRSA-N 1 0 310.388 3.092 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C12CCOCC2 ZINC000185654383 432520742 /nfs/dbraw/zinc/52/07/42/432520742.db2.gz JUGRQIAEKKGWDA-ROUUACIJSA-N 1 0 303.446 3.367 10 0 DGAERO C[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1ccc(F)cc1F ZINC000263123572 432521601 /nfs/dbraw/zinc/52/16/01/432521601.db2.gz BDBNIMMZNDESFP-JDSLSITLSA-N 1 0 310.388 3.092 10 0 DGAERO Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)nc(C(C)C)n1 ZINC000154919109 432529373 /nfs/dbraw/zinc/52/93/73/432529373.db2.gz KXTBIGZWDADESX-HNNXBMFYSA-N 1 0 302.466 3.362 10 0 DGAERO C[N@H+](CCNC(=O)C/C=C/c1cccc(F)c1)C1CCCC1 ZINC000176505423 432529704 /nfs/dbraw/zinc/52/97/04/432529704.db2.gz WVIUFNRERGXCLK-FNORWQNLSA-N 1 0 304.409 3.220 10 0 DGAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000263275957 432530153 /nfs/dbraw/zinc/53/01/53/432530153.db2.gz SVKQWLYAHWPNLK-BHPKHCPMSA-N 1 0 320.399 3.379 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000154961668 432531673 /nfs/dbraw/zinc/53/16/73/432531673.db2.gz SGLNPDRDVIVXSM-UWVGGRQHSA-N 1 0 307.385 3.076 10 0 DGAERO CC(C)(CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C1CCCCC1 ZINC000154964792 432531762 /nfs/dbraw/zinc/53/17/62/432531762.db2.gz VIFJGHRONNBFHD-KRWDZBQOSA-N 1 0 319.493 3.249 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000185781478 432532182 /nfs/dbraw/zinc/53/21/82/432532182.db2.gz RNGMLSAIGUFGES-KBPBESRZSA-N 1 0 300.402 3.344 10 0 DGAERO CCC[C@H](C(=O)NCCc1c[nH]c2c1cccc2CC)[NH+](C)C ZINC000155047403 432535378 /nfs/dbraw/zinc/53/53/78/432535378.db2.gz PSRRQMPCLQUPNW-QGZVFWFLSA-N 1 0 315.461 3.119 10 0 DGAERO CCCN1Cc2cccc(NC(=O)[C@H]3CCOC[C@@H]3C)c2C1 ZINC000194271640 432536770 /nfs/dbraw/zinc/53/67/70/432536770.db2.gz IHFIXIRAOUYUDL-ZFWWWQNUSA-N 1 0 302.418 3.023 10 0 DGAERO O=C(NCCC[NH+]1CCCCC1)Nc1ccc2cc[nH]c2c1 ZINC000194299035 432539644 /nfs/dbraw/zinc/53/96/44/432539644.db2.gz IKTMFODSSAHLIJ-UHFFFAOYSA-N 1 0 300.406 3.165 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCc1ccc2ccccc2c1 ZINC000155135664 432540260 /nfs/dbraw/zinc/54/02/60/432540260.db2.gz XBCJULDZGSMITJ-IYBDPMFKSA-N 1 0 310.441 3.323 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000185893950 432543497 /nfs/dbraw/zinc/54/34/97/432543497.db2.gz HALNOIUDQDHZER-QZTJIDSGSA-N 1 0 315.461 3.059 10 0 DGAERO C[C@@H](CC[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000194384330 432546793 /nfs/dbraw/zinc/54/67/93/432546793.db2.gz MDFOFVCYEFXPKY-FXAWDEMLSA-N 1 0 324.468 3.469 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1)CS(C)(=O)=O ZINC000185949637 432547195 /nfs/dbraw/zinc/54/71/95/432547195.db2.gz KQMVESMFSXJHOG-HOTGVXAUSA-N 1 0 323.502 3.157 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccncc1 ZINC000156760057 432607000 /nfs/dbraw/zinc/60/70/00/432607000.db2.gz DSTAQCPKPJJUQC-JSGCOSHPSA-N 1 0 303.356 3.289 10 0 DGAERO CC[NH+](CC)CCCCNc1cc(C)nc(-c2cccnc2)n1 ZINC000195163722 432609763 /nfs/dbraw/zinc/60/97/63/432609763.db2.gz GPVXCZQRQQPHER-UHFFFAOYSA-N 1 0 313.449 3.381 10 0 DGAERO CC[C@H](C[N@H+](CC)C[C@@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000186598057 432612126 /nfs/dbraw/zinc/61/21/26/432612126.db2.gz WVQGONNHLUSCKT-HZPDHXFCSA-N 1 0 311.491 3.183 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000177376499 432616770 /nfs/dbraw/zinc/61/67/70/432616770.db2.gz JKYONCJGUWRQTQ-STQMWFEESA-N 1 0 301.434 3.327 10 0 DGAERO OCCC1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000186175516 432565463 /nfs/dbraw/zinc/56/54/63/432565463.db2.gz ADCPNQTYYIGWJO-UHFFFAOYSA-N 1 0 321.314 3.019 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2OC)C12CCOCC2 ZINC000186209125 432569050 /nfs/dbraw/zinc/56/90/50/432569050.db2.gz QAPIHYVTPCINEK-BMGDILEWSA-N 1 0 319.445 3.320 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCOC[C@@H]1C ZINC000194727905 432571707 /nfs/dbraw/zinc/57/17/07/432571707.db2.gz PKAZQHPRBFHSOJ-RDJZCZTQSA-N 1 0 316.445 3.202 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000176992543 432571848 /nfs/dbraw/zinc/57/18/48/432571848.db2.gz LGMMSVZJURYYHO-MRXNPFEDSA-N 1 0 306.425 3.046 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Cc1ccccc1 ZINC000194732295 432571934 /nfs/dbraw/zinc/57/19/34/432571934.db2.gz SIXHRUVAXVMNHR-SFHVURJKSA-N 1 0 308.425 3.101 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000186248015 432572637 /nfs/dbraw/zinc/57/26/37/432572637.db2.gz CDODVABRSBANIP-NWDGAFQWSA-N 1 0 320.462 3.137 10 0 DGAERO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000186247929 432572808 /nfs/dbraw/zinc/57/28/08/432572808.db2.gz UGWVWSMXGLAPJL-HRCADAONSA-N 1 0 317.477 3.364 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(-n2cccc2)c1 ZINC000177008897 432573840 /nfs/dbraw/zinc/57/38/40/432573840.db2.gz KATABDKRJULMIV-SFHVURJKSA-N 1 0 311.429 3.034 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2)C12CCOCC2 ZINC000186261544 432574379 /nfs/dbraw/zinc/57/43/79/432574379.db2.gz SDOBQCUJYONGLW-BMGDILEWSA-N 1 0 319.445 3.320 10 0 DGAERO CCOc1ccccc1C[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186266693 432575591 /nfs/dbraw/zinc/57/55/91/432575591.db2.gz OSVXSSXDKVUJCL-ZWKOTPCHSA-N 1 0 319.445 3.149 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)C12CCOCC2 ZINC000186267888 432576010 /nfs/dbraw/zinc/57/60/10/432576010.db2.gz NPPIONUWAXYCCO-QZTJIDSGSA-N 1 0 315.413 3.497 10 0 DGAERO CN(C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000186271735 432576447 /nfs/dbraw/zinc/57/64/47/432576447.db2.gz HIMBQFGEFGWCMK-GOSISDBHSA-N 1 0 315.461 3.091 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)C12CCOCC2 ZINC000186276620 432576668 /nfs/dbraw/zinc/57/66/68/432576668.db2.gz HKEMQBJMUYQIIF-HOTGVXAUSA-N 1 0 311.372 3.029 10 0 DGAERO CC(C)c1csc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000177028218 432577177 /nfs/dbraw/zinc/57/71/77/432577177.db2.gz ISTRHMRJGZMAAF-RYUDHWBXSA-N 1 0 310.467 3.117 10 0 DGAERO COCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1csc(C(C)C)n1 ZINC000186314109 432580590 /nfs/dbraw/zinc/58/05/90/432580590.db2.gz HNMJILWCFMMRMR-KGLIPLIRSA-N 1 0 311.495 3.028 10 0 DGAERO COCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1csc(C(C)C)n1 ZINC000186314166 432581525 /nfs/dbraw/zinc/58/15/25/432581525.db2.gz HNMJILWCFMMRMR-UONOGXRCSA-N 1 0 311.495 3.028 10 0 DGAERO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(Cl)c1 ZINC000177087270 432584774 /nfs/dbraw/zinc/58/47/74/432584774.db2.gz OSCKWPVGDGESSK-STQMWFEESA-N 1 0 307.825 3.349 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177136279 432588845 /nfs/dbraw/zinc/58/88/45/432588845.db2.gz XNPQYVZBWFKYGC-LSDHHAIUSA-N 1 0 317.433 3.094 10 0 DGAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCOC[C@@H]2C)cc1 ZINC000194948527 432589297 /nfs/dbraw/zinc/58/92/97/432589297.db2.gz NVKVDTLGOPNSPD-WMLDXEAASA-N 1 0 304.434 3.140 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000177128967 432589576 /nfs/dbraw/zinc/58/95/76/432589576.db2.gz MLFRRMUGKZQTDY-GDBMZVCRSA-N 1 0 317.433 3.174 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCCSCC(C)C)C12CCOCC2 ZINC000186434378 432593955 /nfs/dbraw/zinc/59/39/55/432593955.db2.gz MVXLEQADRIHVGO-CVEARBPZSA-N 1 0 315.523 3.330 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2c(C)cccc2C)C12CCOCC2 ZINC000186422072 432594678 /nfs/dbraw/zinc/59/46/78/432594678.db2.gz ZVDMXUFCWPTCEA-RTBURBONSA-N 1 0 317.473 3.410 10 0 DGAERO CC(C)c1nnc(CN(C)Cc2ccc(OC(F)F)cc2)n1C ZINC000195016795 432594800 /nfs/dbraw/zinc/59/48/00/432594800.db2.gz HHGJUHPWUUQTPB-UHFFFAOYSA-N 1 0 324.375 3.172 10 0 DGAERO CSC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156505178 432597997 /nfs/dbraw/zinc/59/79/97/432597997.db2.gz NOUSLCGDIPBKPM-MELADBBJSA-N 1 0 316.511 3.363 10 0 DGAERO COCCCCC[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000177418996 432622113 /nfs/dbraw/zinc/62/21/13/432622113.db2.gz PARWJBDZZVNPNL-OAHLLOKOSA-N 1 0 307.434 3.310 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000177419237 432622255 /nfs/dbraw/zinc/62/22/55/432622255.db2.gz FPKSXZIIGUUFSW-WMZOPIPTSA-N 1 0 317.477 3.052 10 0 DGAERO CC(C)COC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000195484069 432625421 /nfs/dbraw/zinc/62/54/21/432625421.db2.gz UTLJAMBMCIDKIM-UHFFFAOYSA-N 1 0 318.461 3.025 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000186717872 432626109 /nfs/dbraw/zinc/62/61/09/432626109.db2.gz WRPZTGITIOOPDI-KDOFPFPSSA-N 1 0 310.397 3.207 10 0 DGAERO Cc1ccc(Cl)cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000212102615 432640499 /nfs/dbraw/zinc/64/04/99/432640499.db2.gz CESCDVJNEHGMOZ-XJKSGUPXSA-N 1 0 306.837 3.253 10 0 DGAERO Cc1ccc(Cl)cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000212102484 432640573 /nfs/dbraw/zinc/64/05/73/432640573.db2.gz CESCDVJNEHGMOZ-BBRMVZONSA-N 1 0 306.837 3.253 10 0 DGAERO COc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000158275363 432642325 /nfs/dbraw/zinc/64/23/25/432642325.db2.gz VOZRLRGSZUCNHY-CQSZACIVSA-N 1 0 323.412 3.076 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccccc2OCc2ccccc2)C1 ZINC000215204682 432642540 /nfs/dbraw/zinc/64/25/40/432642540.db2.gz NGOJQPWLTFPHFY-CVEARBPZSA-N 1 0 310.397 3.332 10 0 DGAERO CCc1ccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1F ZINC000159043802 432668887 /nfs/dbraw/zinc/66/88/87/432668887.db2.gz WXKUZYNNTSZROY-CQSZACIVSA-N 1 0 321.440 3.488 10 0 DGAERO Cn1ncc(Cl)c1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000187166966 432649436 /nfs/dbraw/zinc/64/94/36/432649436.db2.gz OLCOBJFRIAOGGH-CYBMUJFWSA-N 1 0 319.792 3.139 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccc(F)cc1 ZINC000158608069 432651607 /nfs/dbraw/zinc/65/16/07/432651607.db2.gz IBCQVQPMINFQLA-JQFCIGGWSA-N 1 0 318.436 3.140 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000177706955 432652140 /nfs/dbraw/zinc/65/21/40/432652140.db2.gz IMUNWEKWEXOYIM-GOEBONIOSA-N 1 0 314.433 3.214 10 0 DGAERO Cc1ccc(C(=O)CCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000158698751 432654800 /nfs/dbraw/zinc/65/48/00/432654800.db2.gz DSGHGLDBPPAHNG-UHFFFAOYSA-N 1 0 300.446 3.128 10 0 DGAERO [NH3+]C[C@H](CC1(C(F)(F)F)CC1)c1cnc(C(F)(F)F)nc1 ZINC000217375424 432655106 /nfs/dbraw/zinc/65/51/06/432655106.db2.gz SSQKDFHCWXWFST-ZETCQYMHSA-N 1 0 313.245 3.270 10 0 DGAERO Cc1ccc([C@H]([NH2+]C[C@@]2(CCO)CCOC2)C2CCC2)cc1 ZINC000187306887 432655586 /nfs/dbraw/zinc/65/55/86/432655586.db2.gz JPYOJYIKIFSPSF-RTBURBONSA-N 1 0 303.446 3.215 10 0 DGAERO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217850310 432656681 /nfs/dbraw/zinc/65/66/81/432656681.db2.gz BORPBPZEONEBBK-NSHDSACASA-N 1 0 318.230 3.475 10 0 DGAERO CCn1c2ccccc2c2cc(CNC(=O)[C@@H](C)C[NH3+])ccc21 ZINC000218439968 432658558 /nfs/dbraw/zinc/65/85/58/432658558.db2.gz BUAVGOQRCPGQOM-ZDUSSCGKSA-N 1 0 309.413 3.025 10 0 DGAERO COCc1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000158820750 432659556 /nfs/dbraw/zinc/65/95/56/432659556.db2.gz ITQMDRSMGSMFPT-UHFFFAOYSA-N 1 0 319.449 3.075 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158872720 432661387 /nfs/dbraw/zinc/66/13/87/432661387.db2.gz LAMQKYKRRZKMPA-UAGQMJEPSA-N 1 0 320.502 3.402 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(C)c(OC(F)F)c1)[NH+](C)C ZINC000159039803 432665761 /nfs/dbraw/zinc/66/57/61/432665761.db2.gz QDRSPOQYYVVEAB-LBPRGKRZSA-N 1 0 300.349 3.265 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](CCOc1cccc(Cl)c1)CC2 ZINC000220383084 432666627 /nfs/dbraw/zinc/66/66/27/432666627.db2.gz AFIVOMRZHRKFAI-YOEHRIQHSA-N 1 0 309.837 3.346 10 0 DGAERO CC[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc(F)c1 ZINC000187880476 432692046 /nfs/dbraw/zinc/69/20/46/432692046.db2.gz QEMJSYWKOKWKAY-KRWDZBQOSA-N 1 0 300.377 3.296 10 0 DGAERO COC[C@@H]([NH2+]CCc1ccc2ccccc2c1)C1CCOCC1 ZINC000187880800 432692188 /nfs/dbraw/zinc/69/21/88/432692188.db2.gz LCRSWBBOJCBVGF-HXUWFJFHSA-N 1 0 313.441 3.414 10 0 DGAERO COCCC[C@@H](C)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000178104849 432694238 /nfs/dbraw/zinc/69/42/38/432694238.db2.gz OAAHUZXSBZNUGF-MRXNPFEDSA-N 1 0 321.461 3.287 10 0 DGAERO COC[C@H]([NH2+]CCc1c[nH]c2cccc(C)c12)C1CCOCC1 ZINC000187948457 432694991 /nfs/dbraw/zinc/69/49/91/432694991.db2.gz NJQQFKDSCCYZJY-SFHVURJKSA-N 1 0 316.445 3.050 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2csc(Br)c2)C1 ZINC000187939685 432695769 /nfs/dbraw/zinc/69/57/69/432695769.db2.gz PZHWXUAMZZDPQL-ZWNOBZJWSA-N 1 0 318.280 3.494 10 0 DGAERO CCO[C@H](C)c1nc(CN(C)[C@]2(CO)CC[C@H](C)C2)cs1 ZINC000188018698 432698475 /nfs/dbraw/zinc/69/84/75/432698475.db2.gz VBPSGFPIBOQQJZ-WOSRLPQWSA-N 1 0 312.479 3.224 10 0 DGAERO COCCC[C@H](C)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188003290 432698764 /nfs/dbraw/zinc/69/87/64/432698764.db2.gz HYSVCVSIOQFKOD-AWEZNQCLSA-N 1 0 310.869 3.103 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cc(F)cc3cccnc32)C1 ZINC000188025186 432700529 /nfs/dbraw/zinc/70/05/29/432700529.db2.gz LAMHPAFCFXMISS-SCLBCKFNSA-N 1 0 302.393 3.357 10 0 DGAERO C[C@@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)[C@@H]1CO ZINC000227195393 432710204 /nfs/dbraw/zinc/71/02/04/432710204.db2.gz PDZDQKBCVQLZAG-ZWNOBZJWSA-N 1 0 304.217 3.075 10 0 DGAERO CC[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1nccs1 ZINC000178263309 432712790 /nfs/dbraw/zinc/71/27/90/432712790.db2.gz ZSAAQULXRHWXCF-ZFWWWQNUSA-N 1 0 321.490 3.365 10 0 DGAERO COC[C@H](C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl)OC ZINC000227713458 432713963 /nfs/dbraw/zinc/71/39/63/432713963.db2.gz GUIUGYWPXYNTGM-BDAKNGLRSA-N 1 0 310.196 3.445 10 0 DGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1sccc1Cl ZINC000227721094 432715039 /nfs/dbraw/zinc/71/50/39/432715039.db2.gz FQXRORBRKMHLJS-ZDUSSCGKSA-N 1 0 306.818 3.100 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOc1ccccc1Cl ZINC000178292338 432716432 /nfs/dbraw/zinc/71/64/32/432716432.db2.gz KCTQXOPHWXMYNW-OAHLLOKOSA-N 1 0 319.836 3.388 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOc1cc(C)ccc1C ZINC000178292411 432716817 /nfs/dbraw/zinc/71/68/17/432716817.db2.gz DKSXGDWYQNYUQH-GOSISDBHSA-N 1 0 313.445 3.352 10 0 DGAERO Cc1ccc([C@@H]2CN(Cc3cc4ccccc4[nH]c3=O)CCO2)o1 ZINC000159116826 432670718 /nfs/dbraw/zinc/67/07/18/432670718.db2.gz PWNIRFDMJFMOEF-SFHVURJKSA-N 1 0 324.380 3.415 10 0 DGAERO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000177934520 432675823 /nfs/dbraw/zinc/67/58/23/432675823.db2.gz SXRGYNQLFUCJAY-FZMZJTMJSA-N 1 0 301.308 3.341 10 0 DGAERO CC(C)[C@H](CCc1ccccc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187709267 432678746 /nfs/dbraw/zinc/67/87/46/432678746.db2.gz VZZBJYBDAWMKEY-KRWDZBQOSA-N 1 0 300.402 3.126 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(C)cc2Br)C1 ZINC000159293868 432678830 /nfs/dbraw/zinc/67/88/30/432678830.db2.gz JDPFUUJNQLRBOH-CQSZACIVSA-N 1 0 311.267 3.331 10 0 DGAERO c1ccc(OCCN2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000274547390 432680371 /nfs/dbraw/zinc/68/03/71/432680371.db2.gz WGTWIJKTYHDCMM-NHCUHLMSSA-N 1 0 322.452 3.239 10 0 DGAERO O=C(NCC[NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000178023462 432684847 /nfs/dbraw/zinc/68/48/47/432684847.db2.gz WACULAJKJVOZNV-QGZVFWFLSA-N 1 0 314.816 3.347 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CCNC(=O)c1ccccc1)CCCO2 ZINC000178022271 432685197 /nfs/dbraw/zinc/68/51/97/432685197.db2.gz RVMWXHGEWQPZPK-GOSISDBHSA-N 1 0 324.424 3.228 10 0 DGAERO CC1(C)C[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000178041105 432688415 /nfs/dbraw/zinc/68/84/15/432688415.db2.gz RGOXQEVIYAMINI-GOSISDBHSA-N 1 0 322.456 3.458 10 0 DGAERO CCCOc1cc(F)ccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000178049782 432689112 /nfs/dbraw/zinc/68/91/12/432689112.db2.gz SNJPASGJPQFICK-UHFFFAOYSA-N 1 0 323.412 3.172 10 0 DGAERO CCCc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178052006 432689623 /nfs/dbraw/zinc/68/96/23/432689623.db2.gz YZBZPYSAPGMIQM-HNNXBMFYSA-N 1 0 321.428 3.466 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc21 ZINC000178054846 432689731 /nfs/dbraw/zinc/68/97/31/432689731.db2.gz LTIJLUJZZULRIG-KDOFPFPSSA-N 1 0 319.412 3.391 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000187907838 432691726 /nfs/dbraw/zinc/69/17/26/432691726.db2.gz AMAIRZFMNGPTKU-YVEFUNNKSA-N 1 0 321.852 3.210 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1cccc(OC)c1OC1CCCC1 ZINC000187883891 432691885 /nfs/dbraw/zinc/69/18/85/432691885.db2.gz YSLDEKGRDHYBDZ-CQSZACIVSA-N 1 0 307.434 3.389 10 0 DGAERO O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(c2ccncc2Cl)C1 ZINC000178559827 432753048 /nfs/dbraw/zinc/75/30/48/432753048.db2.gz WZEWILJQNGQIHY-BMIGLBTASA-N 1 0 310.731 3.326 10 0 DGAERO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178580630 432755687 /nfs/dbraw/zinc/75/56/87/432755687.db2.gz RMJNBUAQZAVWQW-VXGBXAGGSA-N 1 0 301.427 3.172 10 0 DGAERO CCCC[N@H+](C)CC1CCN(C(=O)c2nc(C)sc2C)CC1 ZINC000178599771 432757030 /nfs/dbraw/zinc/75/70/30/432757030.db2.gz DGASTZILMZWIMK-UHFFFAOYSA-N 1 0 323.506 3.344 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+][C@H](CO)Cc2ccc(C)cc2)cc1 ZINC000188984776 432757291 /nfs/dbraw/zinc/75/72/91/432757291.db2.gz QRHCMKMADKSROR-LPHOPBHVSA-N 1 0 313.441 3.300 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000275943333 432761488 /nfs/dbraw/zinc/76/14/88/432761488.db2.gz ZIEANYBPSCKDGS-AYBZRNKSSA-N 1 0 324.472 3.346 10 0 DGAERO COC[C@@](C)(CCO)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000189076810 432761470 /nfs/dbraw/zinc/76/14/70/432761470.db2.gz VIADVGSVDZIRAJ-NKELODKYSA-N 1 0 305.462 3.338 10 0 DGAERO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236742375 432762805 /nfs/dbraw/zinc/76/28/05/432762805.db2.gz LKXDPLXFBAIBSX-WBVHZDCISA-N 1 0 306.425 3.472 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000178731705 432771741 /nfs/dbraw/zinc/77/17/41/432771741.db2.gz WBPKXENJCPGLPZ-MRXNPFEDSA-N 1 0 323.868 3.309 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CC[C@@H]1C ZINC000189352031 432781382 /nfs/dbraw/zinc/78/13/82/432781382.db2.gz JBXUXOZGGJGROS-OFQRWUPVSA-N 1 0 315.417 3.463 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]([NH2+]CC[C@H]1CCOC1)C2 ZINC000230410383 432728068 /nfs/dbraw/zinc/72/80/68/432728068.db2.gz FTNNBKKLFFNJTA-BLLLJJGKSA-N 1 0 324.262 3.323 10 0 DGAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)o1 ZINC000275546105 432728359 /nfs/dbraw/zinc/72/83/59/432728359.db2.gz MXVXYNCQDKWJJF-UTXMOHQDSA-N 1 0 315.417 3.146 10 0 DGAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC000275584430 432731573 /nfs/dbraw/zinc/73/15/73/432731573.db2.gz PIGKIPPNSKEVGN-KBXCAEBGSA-N 1 0 311.385 3.034 10 0 DGAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc(C)c1Br ZINC000232036721 432734946 /nfs/dbraw/zinc/73/49/46/432734946.db2.gz PBYRAZMZFHZKNF-GHMZBOCLSA-N 1 0 311.223 3.132 10 0 DGAERO Brc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)o1 ZINC000275616693 432734901 /nfs/dbraw/zinc/73/49/01/432734901.db2.gz NTDZIDZGDAOIMI-GFCCVEGCSA-N 1 0 321.218 3.411 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccccc1OC)CC2 ZINC000178445033 432738142 /nfs/dbraw/zinc/73/81/42/432738142.db2.gz RLHGBXKJQJWJKH-QZTJIDSGSA-N 1 0 313.397 3.014 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)cc1F ZINC000178444991 432738527 /nfs/dbraw/zinc/73/85/27/432738527.db2.gz AZQXZSBQCKKCCK-BLLLJJGKSA-N 1 0 319.376 3.227 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000178446470 432739030 /nfs/dbraw/zinc/73/90/30/432739030.db2.gz YJFZJIHNATZIJD-BZNIZROVSA-N 1 0 307.340 3.358 10 0 DGAERO CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000234305800 432739569 /nfs/dbraw/zinc/73/95/69/432739569.db2.gz ACXHZRUMMZIVGF-LBPRGKRZSA-N 1 0 300.855 3.138 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccoc3)C2)c1 ZINC000178466207 432741095 /nfs/dbraw/zinc/74/10/95/432741095.db2.gz QVLIPZRQHQSTIA-LSDHHAIUSA-N 1 0 300.402 3.465 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000188763906 432744261 /nfs/dbraw/zinc/74/42/61/432744261.db2.gz GVKFUTZCPKRFAC-STQMWFEESA-N 1 0 314.385 3.273 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)nc1Cl ZINC000235649334 432745159 /nfs/dbraw/zinc/74/51/59/432745159.db2.gz UAYUDVXWAKUWAU-CMPLNLGQSA-N 1 0 300.233 3.057 10 0 DGAERO Fc1cccc(C[NH2+]CC[C@@H]2CCOC2)c1Br ZINC000236185974 432746026 /nfs/dbraw/zinc/74/60/26/432746026.db2.gz WMVRUKZKJTXRPL-SNVBAGLBSA-N 1 0 302.187 3.104 10 0 DGAERO Cc1nc([C@H]2CCCN2CC(=O)N(C)c2ccccc2)cs1 ZINC000189769244 432817740 /nfs/dbraw/zinc/81/77/40/432817740.db2.gz KFXOSOHBILCVOQ-MRXNPFEDSA-N 1 0 315.442 3.251 10 0 DGAERO CC[C@H]1CCCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000243493985 432820035 /nfs/dbraw/zinc/82/00/35/432820035.db2.gz NRMUPBXKXINRTD-SFHVURJKSA-N 1 0 300.446 3.226 10 0 DGAERO CCN(C(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000243699134 432820114 /nfs/dbraw/zinc/82/01/14/432820114.db2.gz PLOTYQKSBPCVDX-UHFFFAOYSA-N 1 0 308.425 3.488 10 0 DGAERO CCOc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245513327 432839345 /nfs/dbraw/zinc/83/93/45/432839345.db2.gz ADAQPIJZNQQLNP-GXTWGEPZSA-N 1 0 324.852 3.293 10 0 DGAERO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000245402948 432826331 /nfs/dbraw/zinc/82/63/31/432826331.db2.gz KAJBUHRESLYSAI-LSTHTHJFSA-N 1 0 311.425 3.052 10 0 DGAERO Cc1csc(=O)n1CC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000245410244 432827628 /nfs/dbraw/zinc/82/76/28/432827628.db2.gz QBQNUWWLGDTEHK-LRDDRELGSA-N 1 0 320.433 3.440 10 0 DGAERO C[C@@H]([NH2+]CC1(O)CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000162588278 432828794 /nfs/dbraw/zinc/82/87/94/432828794.db2.gz IIDLEYBRQYPJPR-SECBINFHSA-N 1 0 322.207 3.325 10 0 DGAERO CC(=O)c1csc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000245430486 432829216 /nfs/dbraw/zinc/82/92/16/432829216.db2.gz AEJQJUUTUPOHHR-CABCVRRESA-N 1 0 320.458 3.038 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000245429820 432829232 /nfs/dbraw/zinc/82/92/32/432829232.db2.gz YZPVWASQXCFPOT-WMZOPIPTSA-N 1 0 317.477 3.224 10 0 DGAERO CCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)cc1 ZINC000245422699 432829328 /nfs/dbraw/zinc/82/93/28/432829328.db2.gz AEHQTXJHQISRFQ-HOTGVXAUSA-N 1 0 317.433 3.176 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)ccc1F ZINC000245438313 432830277 /nfs/dbraw/zinc/83/02/77/432830277.db2.gz XVZSTAUFUPGUSV-KBPBESRZSA-N 1 0 305.397 3.225 10 0 DGAERO C[C@H](CCOc1ccccc1)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000245432184 432830286 /nfs/dbraw/zinc/83/02/86/432830286.db2.gz BDESFNGGPALLAJ-IAGOWNOFSA-N 1 0 318.461 3.082 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000245438839 432830536 /nfs/dbraw/zinc/83/05/36/432830536.db2.gz YOPZQXDWKIYGPW-WMLDXEAASA-N 1 0 319.449 3.342 10 0 DGAERO COc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000245440235 432831736 /nfs/dbraw/zinc/83/17/36/432831736.db2.gz GJCLUNBZGOUUFL-CVEARBPZSA-N 1 0 317.433 3.174 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C1CCC1 ZINC000267339428 432832466 /nfs/dbraw/zinc/83/24/66/432832466.db2.gz GQDYEZVEGSFKTO-YJBOKZPZSA-N 1 0 315.461 3.091 10 0 DGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)c2cccnc2)C1 ZINC000245459808 432832941 /nfs/dbraw/zinc/83/29/41/432832941.db2.gz LSRMYHUDOCQMLL-HZPDHXFCSA-N 1 0 317.477 3.202 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000277280224 432833005 /nfs/dbraw/zinc/83/30/05/432833005.db2.gz BCURPDCWGNGWMP-TVQRCGJNSA-N 1 0 302.187 3.103 10 0 DGAERO CC(C)COC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000245473380 432835120 /nfs/dbraw/zinc/83/51/20/432835120.db2.gz PXLRKQTUHKDZPN-QGTPRVQTSA-N 1 0 309.425 3.242 10 0 DGAERO CC[C@H](C)C[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245498192 432837534 /nfs/dbraw/zinc/83/75/34/432837534.db2.gz VPNJQQUTHCYTBF-NXOAAHMSSA-N 1 0 309.498 3.468 10 0 DGAERO Cc1ccccc1SCC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000161601513 432787911 /nfs/dbraw/zinc/78/79/11/432787911.db2.gz HXVNHANCLSQBQE-INIZCTEOSA-N 1 0 320.502 3.181 10 0 DGAERO CC[C@](C)(O)C[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000161709420 432793289 /nfs/dbraw/zinc/79/32/89/432793289.db2.gz FINWFFBWXIYIEF-IBGZPJMESA-N 1 0 314.429 3.427 10 0 DGAERO CC[N@H+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000178981488 432793614 /nfs/dbraw/zinc/79/36/14/432793614.db2.gz KCOAVJIHWKXQKK-QGZVFWFLSA-N 1 0 306.837 3.392 10 0 DGAERO Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000237664805 432795386 /nfs/dbraw/zinc/79/53/86/432795386.db2.gz ZANJQOUBASKCKW-UONOGXRCSA-N 1 0 304.459 3.110 10 0 DGAERO COc1cnccc1[C@H](C)NCc1cnn(-c2ccccc2)c1 ZINC000189545211 432797577 /nfs/dbraw/zinc/79/75/77/432797577.db2.gz LQNQIFGVDJHVMK-AWEZNQCLSA-N 1 0 308.385 3.127 10 0 DGAERO C[C@@H]1CCC[C@@H](OCCCCCC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000161786713 432799075 /nfs/dbraw/zinc/79/90/75/432799075.db2.gz SAWWZTUFOOQWAJ-FGTMMUONSA-N 1 0 324.509 3.353 10 0 DGAERO COC[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc(C)o1 ZINC000161906185 432802815 /nfs/dbraw/zinc/80/28/15/432802815.db2.gz CYKKBNUWZWGVSQ-QGZVFWFLSA-N 1 0 320.408 3.136 10 0 DGAERO COC[C@@H](C)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000189605876 432803143 /nfs/dbraw/zinc/80/31/43/432803143.db2.gz MJNIQKASBMXQOT-HNNXBMFYSA-N 1 0 310.869 3.130 10 0 DGAERO Cc1ccc([C@@H]2CCCN2C(=O)CCC2CC[NH2+]CC2)s1 ZINC000237901477 432804748 /nfs/dbraw/zinc/80/47/48/432804748.db2.gz GURAXWPTXXTRCV-HNNXBMFYSA-N 1 0 306.475 3.500 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)NCc1ccc(-c2cccnc2)cc1 ZINC000237961073 432805828 /nfs/dbraw/zinc/80/58/28/432805828.db2.gz OOTXVODWVPHKTF-UHFFFAOYSA-N 1 0 323.440 3.145 10 0 DGAERO Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000237982948 432807368 /nfs/dbraw/zinc/80/73/68/432807368.db2.gz ZANJQOUBASKCKW-KBPBESRZSA-N 1 0 304.459 3.110 10 0 DGAERO CC[C@]1(CO)CCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000189658351 432807713 /nfs/dbraw/zinc/80/77/13/432807713.db2.gz PUBSYKBJNPRSQA-QGZVFWFLSA-N 1 0 304.365 3.218 10 0 DGAERO O=C(NCC1(c2ccccc2)CCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238006184 432808285 /nfs/dbraw/zinc/80/82/85/432808285.db2.gz GFUCHJXPEHOEMA-SZMVWBNQSA-N 1 0 312.457 3.145 10 0 DGAERO Cc1cc(Cl)ccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000162064641 432810049 /nfs/dbraw/zinc/81/00/49/432810049.db2.gz QAOOPVRAYGLDTI-UHFFFAOYSA-N 1 0 306.837 3.349 10 0 DGAERO [NH3+]Cc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000238058745 432810749 /nfs/dbraw/zinc/81/07/49/432810749.db2.gz RZPVOHLHWHUURM-IBGZPJMESA-N 1 0 306.409 3.437 10 0 DGAERO COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000189713421 432813342 /nfs/dbraw/zinc/81/33/42/432813342.db2.gz VOIAEZHOLLIAET-ZDUSSCGKSA-N 1 0 315.360 3.344 10 0 DGAERO O=C(C[C@H]1CCC[N@H+]1CCOCC(F)F)c1ccc(F)cc1 ZINC000189731012 432814204 /nfs/dbraw/zinc/81/42/04/432814204.db2.gz GMHVNYWYDSBGQR-CQSZACIVSA-N 1 0 315.335 3.145 10 0 DGAERO COc1cc2c(c(C[NH2+]C[C@H]3CCC(C)(C)O3)c1)O[C@@H](C)C2 ZINC000189721076 432814458 /nfs/dbraw/zinc/81/44/58/432814458.db2.gz UAHKYCFGPIOORP-SWLSCSKDSA-N 1 0 305.418 3.066 10 0 DGAERO CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000189731423 432815192 /nfs/dbraw/zinc/81/51/92/432815192.db2.gz NNOJAHPMJYXGHA-NRXISQOPSA-N 1 0 311.466 3.434 10 0 DGAERO CC(=O)c1cccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000240660007 432815470 /nfs/dbraw/zinc/81/54/70/432815470.db2.gz AHVDWGYMSVZTEB-UHFFFAOYSA-N 1 0 322.408 3.276 10 0 DGAERO Cc1ccc2cccc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)c2n1 ZINC000245753053 432861167 /nfs/dbraw/zinc/86/11/67/432861167.db2.gz HHWKGWGBACNTQB-ZBFHGGJFSA-N 1 0 324.428 3.244 10 0 DGAERO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1OC ZINC000245811994 432863738 /nfs/dbraw/zinc/86/37/38/432863738.db2.gz ZNSDHLMSSNBLBR-SJORKVTESA-N 1 0 318.461 3.151 10 0 DGAERO C[C@H](CCCc1ccccc1)C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000245849302 432865099 /nfs/dbraw/zinc/86/50/99/432865099.db2.gz MAFILONMYQTUSJ-IKGGRYGDSA-N 1 0 302.462 3.196 10 0 DGAERO COc1ccccc1[C@@H](C)CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000245834628 432865163 /nfs/dbraw/zinc/86/51/63/432865163.db2.gz BPYCXBQWXONRTQ-JKSUJKDBSA-N 1 0 318.461 3.179 10 0 DGAERO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCC[NH+]1CCCC1 ZINC000245866843 432866338 /nfs/dbraw/zinc/86/63/38/432866338.db2.gz LMCJDFIJTYEBSL-LMMKCTJWSA-N 1 0 302.462 3.323 10 0 DGAERO COc1ccc(OC)c(CC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245916866 432868662 /nfs/dbraw/zinc/86/86/62/432868662.db2.gz QFGXUMNSTGUDQO-CGTJXYLNSA-N 1 0 319.445 3.040 10 0 DGAERO CC[C@@H](C)[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000245919295 432869699 /nfs/dbraw/zinc/86/96/99/432869699.db2.gz SQPGYHWYPNAMQL-GHMZBOCLSA-N 1 0 306.233 3.463 10 0 DGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000245921782 432869709 /nfs/dbraw/zinc/86/97/09/432869709.db2.gz RBAIIEPKJQNQIK-BPUTZDHNSA-N 1 0 320.481 3.028 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000245928937 432870181 /nfs/dbraw/zinc/87/01/81/432870181.db2.gz INYYLWZXCPGDJB-RBSFLKMASA-N 1 0 306.475 3.151 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000245956001 432872686 /nfs/dbraw/zinc/87/26/86/432872686.db2.gz XIMGDPFAFJQLCU-YSSFQJQWSA-N 1 0 310.441 3.275 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000245968414 432873316 /nfs/dbraw/zinc/87/33/16/432873316.db2.gz ZAKYOWHQADGILW-VZJWBNGJSA-N 1 0 322.452 3.494 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC000245991978 432873840 /nfs/dbraw/zinc/87/38/40/432873840.db2.gz ILZVITAHBIGCHL-XJKSGUPXSA-N 1 0 307.413 3.328 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000246028989 432874789 /nfs/dbraw/zinc/87/47/89/432874789.db2.gz NJJBGMADEZQJLG-RDJZCZTQSA-N 1 0 303.450 3.497 10 0 DGAERO Cc1cccnc1CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245534823 432840025 /nfs/dbraw/zinc/84/00/25/432840025.db2.gz KFIWUWXIYBWRGX-MSOLQXFVSA-N 1 0 301.478 3.476 10 0 DGAERO Cc1ccc(-c2ccc(C[N@H+]3C[C@H](C(N)=O)CC[C@H]3C)o2)cc1 ZINC000245537234 432840143 /nfs/dbraw/zinc/84/01/43/432840143.db2.gz IPZOJMGUBULNRF-GDBMZVCRSA-N 1 0 312.413 3.341 10 0 DGAERO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ncccc2C)C1 ZINC000245536389 432840239 /nfs/dbraw/zinc/84/02/39/432840239.db2.gz LDVVDDZSFSXXKW-ZWKOTPCHSA-N 1 0 324.424 3.169 10 0 DGAERO CCc1csc([C@H]2CCCN(CCC[NH+]3CCCC3)C2)n1 ZINC000163008826 432841339 /nfs/dbraw/zinc/84/13/39/432841339.db2.gz QDWKUBBQZPFZNT-HNNXBMFYSA-N 1 0 307.507 3.371 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)C1 ZINC000245539939 432841405 /nfs/dbraw/zinc/84/14/05/432841405.db2.gz JXVXCIBVAZGTEJ-IRXDYDNUSA-N 1 0 318.461 3.143 10 0 DGAERO CCCOc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000245566851 432845707 /nfs/dbraw/zinc/84/57/07/432845707.db2.gz TYUJSVDHWJRBSW-PBHICJAKSA-N 1 0 319.449 3.326 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245570151 432846506 /nfs/dbraw/zinc/84/65/06/432846506.db2.gz BAWSYSKWEIAMGA-HKUYNNGSSA-N 1 0 316.489 3.343 10 0 DGAERO CCC[C@H](C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1)c1ccccc1 ZINC000245609179 432848856 /nfs/dbraw/zinc/84/88/56/432848856.db2.gz AMYJKWFMWFZBIG-SXLOBPIMSA-N 1 0 316.489 3.223 10 0 DGAERO CCC[C@H](C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000245609176 432848896 /nfs/dbraw/zinc/84/88/96/432848896.db2.gz AMYJKWFMWFZBIG-RLLQIKCJSA-N 1 0 316.489 3.223 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000245600300 432849161 /nfs/dbraw/zinc/84/91/61/432849161.db2.gz OODWPQWTLGNXCL-RZAIGCCYSA-N 1 0 317.383 3.456 10 0 DGAERO Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000245656011 432853476 /nfs/dbraw/zinc/85/34/76/432853476.db2.gz OEFVLBSZCZFEHH-MOPGFXCFSA-N 1 0 323.440 3.240 10 0 DGAERO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000154775767 292690292 /nfs/dbraw/zinc/69/02/92/292690292.db2.gz KUKVSCCPTYSITG-HUUCEWRRSA-N 1 0 313.445 3.438 10 0 DGAERO c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000296983224 432945776 /nfs/dbraw/zinc/94/57/76/432945776.db2.gz VINHEMHBHKVKNZ-QGZVFWFLSA-N 1 0 311.429 3.123 10 0 DGAERO c1cn(Cc2ccccc2)nc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000296983220 432946019 /nfs/dbraw/zinc/94/60/19/432946019.db2.gz VINHEMHBHKVKNZ-KRWDZBQOSA-N 1 0 311.429 3.123 10 0 DGAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000278884342 432913190 /nfs/dbraw/zinc/91/31/90/432913190.db2.gz YBWZQRHKRYWPML-OKYOBFRVSA-N 1 0 314.473 3.054 10 0 DGAERO COCC[C@H](COC)[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000311817627 292695832 /nfs/dbraw/zinc/69/58/32/292695832.db2.gz MQSOXPRIYKHXNL-LOWVWBTDSA-N 1 0 301.477 3.315 10 0 DGAERO CCC[C@@H](C(=O)NCCc1c[nH]c2c1cccc2CC)[NH+](C)C ZINC000155047299 292697785 /nfs/dbraw/zinc/69/77/85/292697785.db2.gz PSRRQMPCLQUPNW-KRWDZBQOSA-N 1 0 315.461 3.119 10 0 DGAERO C(=Cc1ccccc1)CNCc1nc(COc2ccccc2)n[nH]1 ZINC000349630242 432984314 /nfs/dbraw/zinc/98/43/14/432984314.db2.gz LZXGJWKZMZSBML-YFHOEESVSA-N 1 0 320.396 3.187 10 0 DGAERO CCC[C@@H](C(=O)NCCOc1ccccc1C(C)C)[NH+](C)C ZINC000155338241 292705082 /nfs/dbraw/zinc/70/50/82/292705082.db2.gz UHCFFDZTKJNVJT-INIZCTEOSA-N 1 0 306.450 3.035 10 0 DGAERO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)CCO1 ZINC000341253090 433005487 /nfs/dbraw/zinc/00/54/87/433005487.db2.gz JHPVVEQGMPWDBL-MJGOQNOKSA-N 1 0 313.445 3.225 10 0 DGAERO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)CCO1 ZINC000341253088 433006047 /nfs/dbraw/zinc/00/60/47/433006047.db2.gz JHPVVEQGMPWDBL-HKUYNNGSSA-N 1 0 313.445 3.225 10 0 DGAERO C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CCCCN1C1CC1 ZINC000341387742 433045268 /nfs/dbraw/zinc/04/52/68/433045268.db2.gz YTKBYIPMZMKPSL-ZMMAXQRCSA-N 1 0 306.494 3.188 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CCCC4)C[C@H]21 ZINC000333280925 433045436 /nfs/dbraw/zinc/04/54/36/433045436.db2.gz HORRPXLOVJQJMF-KBAYOESNSA-N 1 0 313.445 3.157 10 0 DGAERO Cc1ccnc(C)c1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333272827 433045710 /nfs/dbraw/zinc/04/57/10/433045710.db2.gz GIZBOMGSLWXZDF-JKSUJKDBSA-N 1 0 316.449 3.084 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000155502833 292708470 /nfs/dbraw/zinc/70/84/70/292708470.db2.gz NDOKLDILZBLQPF-ZIAGYGMSSA-N 1 0 304.434 3.029 10 0 DGAERO Cc1cc(Cl)cnc1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333292050 433046992 /nfs/dbraw/zinc/04/69/92/433046992.db2.gz JJHLBWDZQOOBLG-CQSZACIVSA-N 1 0 322.840 3.039 10 0 DGAERO CC(=O)CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000372954070 433066443 /nfs/dbraw/zinc/06/64/43/433066443.db2.gz WABATXCOGXGJHM-UHFFFAOYSA-N 1 0 304.365 3.324 10 0 DGAERO C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCC2)[C@H](c2ccco2)C1 ZINC000446618464 433074709 /nfs/dbraw/zinc/07/47/09/433074709.db2.gz VUFSNTQLLVWQOC-GJZGRUSLSA-N 1 0 319.449 3.247 10 0 DGAERO CO[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000373054518 433080011 /nfs/dbraw/zinc/08/00/11/433080011.db2.gz HPBMZYXTFYRAAQ-IYWMVGAKSA-N 1 0 316.489 3.443 10 0 DGAERO C[C@H]1CC(C[NH2+]Cc2ccc(Br)o2)C[C@H](C)O1 ZINC000341491743 433091355 /nfs/dbraw/zinc/09/13/55/433091355.db2.gz UWZYQPUEUZSFRO-UWVGGRQHSA-N 1 0 302.212 3.335 10 0 DGAERO O=C(C[N@@H+]1CCCC12CCC2)Nc1ccc(OC(F)F)cc1 ZINC000373096492 433093268 /nfs/dbraw/zinc/09/32/68/433093268.db2.gz DHGUGRLSLFMEAX-UHFFFAOYSA-N 1 0 310.344 3.245 10 0 DGAERO Cc1cc(O)ccc1-c1noc(C2C[NH+](C3CCCCC3)C2)n1 ZINC000333739653 433097192 /nfs/dbraw/zinc/09/71/92/433097192.db2.gz XJWLFIWCNDZATE-UHFFFAOYSA-N 1 0 313.401 3.483 10 0 DGAERO CCc1ncc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000453372520 433128559 /nfs/dbraw/zinc/12/85/59/433128559.db2.gz IQTVNMOJHQADTE-YOEHRIQHSA-N 1 0 300.402 3.495 10 0 DGAERO c1ccc(COc2ccccc2C[N@@H+]2CCOCC3(CC3)C2)nc1 ZINC000341561680 433135056 /nfs/dbraw/zinc/13/50/56/433135056.db2.gz JGZLXMPMUGZMKY-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO c1cc2c(cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1)OCCO2 ZINC000341580189 433147191 /nfs/dbraw/zinc/14/71/91/433147191.db2.gz DAQIZKLJDATMOW-QGZVFWFLSA-N 1 0 317.429 3.381 10 0 DGAERO CC[C@@H]([NH2+][C@H](CC)c1cccc(Br)c1)C(=O)NC ZINC000453415818 433170383 /nfs/dbraw/zinc/17/03/83/433170383.db2.gz UCOWEBRUSCGEEX-CHWSQXEVSA-N 1 0 313.239 3.014 10 0 DGAERO CCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)cn1 ZINC000336713849 433185935 /nfs/dbraw/zinc/18/59/35/433185935.db2.gz NURPQLNRIBTTMR-QFBILLFUSA-N 1 0 312.461 3.046 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2OC)CC1 ZINC000157742177 292751824 /nfs/dbraw/zinc/75/18/24/292751824.db2.gz QOVQZORALXJRQX-UHFFFAOYSA-N 1 0 323.412 3.078 10 0 DGAERO c1[nH]nc2cc(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)ccc12 ZINC000374472328 433199904 /nfs/dbraw/zinc/19/99/04/433199904.db2.gz PRGUWNKDUUEGIH-MJGOQNOKSA-N 1 0 307.397 3.430 10 0 DGAERO c1[nH]nc2cc(C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)ccc12 ZINC000374472329 433200646 /nfs/dbraw/zinc/20/06/46/433200646.db2.gz PRGUWNKDUUEGIH-PKOBYXMFSA-N 1 0 307.397 3.430 10 0 DGAERO c1ccc([C@H]([NH2+]Cc2cccc3c2OCO3)[C@@H]2CCOC2)cc1 ZINC000374486430 433203335 /nfs/dbraw/zinc/20/33/35/433203335.db2.gz HDOASKPMHUFMKD-AEFFLSMTSA-N 1 0 311.381 3.283 10 0 DGAERO c1nc(N2CCOCC2)sc1C[NH2+]CC1(C2CCC2)CCC1 ZINC000453580766 433214646 /nfs/dbraw/zinc/21/46/46/433214646.db2.gz LKJLHLYWERUONV-UHFFFAOYSA-N 1 0 321.490 3.040 10 0 DGAERO c1cn(-c2csc(C[NH2+]CCOCC3CCCC3)c2)cn1 ZINC000453579919 433214735 /nfs/dbraw/zinc/21/47/35/433214735.db2.gz FHRZBQAMVGAYPP-UHFFFAOYSA-N 1 0 305.447 3.230 10 0 DGAERO CC1(C)C[N@H+](CCSCc2ccccc2)C[C@]2(CCOC2)O1 ZINC000361528219 433224921 /nfs/dbraw/zinc/22/49/21/433224921.db2.gz VKIMSGAGBJUOOO-SFHVURJKSA-N 1 0 321.486 3.190 10 0 DGAERO CC1(C)C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@]2(CCOC2)O1 ZINC000361530557 433225208 /nfs/dbraw/zinc/22/52/08/433225208.db2.gz YZQIIDNUYARDMZ-WMZOPIPTSA-N 1 0 305.393 3.083 10 0 DGAERO CC(C)[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)C1(CO)CCCC1 ZINC000453614367 433241052 /nfs/dbraw/zinc/24/10/52/433241052.db2.gz MGGBDQLYDJBAFA-KRWDZBQOSA-N 1 0 317.433 3.337 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1CN1CCOC[C@@H]1CC1CCC1 ZINC000354730573 433241630 /nfs/dbraw/zinc/24/16/30/433241630.db2.gz NJOXYCWGWIZBHQ-HOCLYGCPSA-N 1 0 322.474 3.386 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)cn2)nc1 ZINC000425442876 433246808 /nfs/dbraw/zinc/24/68/08/433246808.db2.gz KGNIWNKBDZDYNL-RBUKOAKNSA-N 1 0 309.413 3.287 10 0 DGAERO c1cnn(CC[NH2+][C@H](COCc2ccccc2)c2ccccc2)c1 ZINC000341852977 433314305 /nfs/dbraw/zinc/31/43/05/433314305.db2.gz LLCMJPHTCAYGTR-HXUWFJFHSA-N 1 0 321.424 3.431 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000281318305 433283926 /nfs/dbraw/zinc/28/39/26/433283926.db2.gz ZQIYHFILDCLGIS-KDOFPFPSSA-N 1 0 304.409 3.125 10 0 DGAERO CC1(C)SC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000338475570 433298711 /nfs/dbraw/zinc/29/87/11/433298711.db2.gz AABPCLGHVXIGIL-CYBMUJFWSA-N 1 0 313.850 3.485 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(-c4ccnc(C5CC5)c4)n3)cc12 ZINC000351076441 433364918 /nfs/dbraw/zinc/36/49/18/433364918.db2.gz HWELATRLYZEKKO-UHFFFAOYSA-N 1 0 303.325 3.324 10 0 DGAERO OC[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000375009620 433333001 /nfs/dbraw/zinc/33/30/01/433333001.db2.gz YHNQLIPTZNQGDG-HXUWFJFHSA-N 1 0 321.424 3.089 10 0 DGAERO COc1ccc(F)c(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000447985954 433337948 /nfs/dbraw/zinc/33/79/48/433337948.db2.gz AAHRMQPFHJGUMP-OAHLLOKOSA-N 1 0 323.412 3.076 10 0 DGAERO Cc1nn(C)c(CN(C)C[C@@H]2CC=CCC2)c1Br ZINC000448334782 433385252 /nfs/dbraw/zinc/38/52/52/433385252.db2.gz KPQZGEGXDIIYQP-GFCCVEGCSA-N 1 0 312.255 3.279 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(F)cc1Br ZINC000300412029 433394608 /nfs/dbraw/zinc/39/46/08/433394608.db2.gz REVDHSRZFRETPC-PKFCDNJMSA-N 1 0 316.214 3.400 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448433828 433407696 /nfs/dbraw/zinc/40/76/96/433407696.db2.gz OCSDUNKGLOSZBR-FUHWJXTLSA-N 1 0 324.509 3.256 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000158575031 292771899 /nfs/dbraw/zinc/77/18/99/292771899.db2.gz DMGYVRKEZXTZJT-UHFFFAOYSA-N 1 0 321.440 3.232 10 0 DGAERO c1cc2c(ncnc2N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000301123624 433425124 /nfs/dbraw/zinc/42/51/24/433425124.db2.gz YSTDSPGPPAYSAP-UHFFFAOYSA-N 1 0 302.447 3.004 10 0 DGAERO CCOc1cccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375400568 433451589 /nfs/dbraw/zinc/45/15/89/433451589.db2.gz FWNFUEJEFFTPEY-HNNXBMFYSA-N 1 0 313.401 3.335 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1F ZINC000375406872 433453254 /nfs/dbraw/zinc/45/32/54/433453254.db2.gz VKXLWSBAHRSMMK-ZDUSSCGKSA-N 1 0 317.364 3.084 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCC[S@@](C)=O ZINC000342097391 433464801 /nfs/dbraw/zinc/46/48/01/433464801.db2.gz HDQSBRFYJKSATE-VZOQVYJPSA-N 1 0 319.392 3.467 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)c2ccccc2F)C1 ZINC000164156214 290240879 /nfs/dbraw/zinc/24/08/79/290240879.db2.gz XWIBFJMQXUBEMZ-PBHICJAKSA-N 1 0 318.436 3.046 10 0 DGAERO CN1C[C@@H]([NH2+]C2c3ccccc3CCc3ccccc32)CCC1=O ZINC000180586282 290278083 /nfs/dbraw/zinc/27/80/83/290278083.db2.gz SCCCECQAAWOEJQ-KRWDZBQOSA-N 1 0 320.436 3.085 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000421389286 433531492 /nfs/dbraw/zinc/53/14/92/433531492.db2.gz LTYNVUMFZWZZIQ-GOSISDBHSA-N 1 0 310.445 3.339 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNc1nc(-c2ccccc2)ns1 ZINC000301388586 433534682 /nfs/dbraw/zinc/53/46/82/433534682.db2.gz YOHWJSLVPCVMTP-CYBMUJFWSA-N 1 0 302.447 3.491 10 0 DGAERO Brc1cccc2c1CCN2C1CC[NH+](C2CC2)CC1 ZINC000421391406 433537650 /nfs/dbraw/zinc/53/76/50/433537650.db2.gz UFMUKBAOAZPWTR-UHFFFAOYSA-N 1 0 321.262 3.438 10 0 DGAERO C[NH+]1CCC([C@@H]2CCN(C(=O)NCC3CCCCCC3)C2)CC1 ZINC000455372124 433539338 /nfs/dbraw/zinc/53/93/38/433539338.db2.gz PVHAYFJXNJGROS-GOSISDBHSA-N 1 0 321.509 3.330 10 0 DGAERO Cc1nc(-c2ccncc2)nc(N[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000301299122 433492842 /nfs/dbraw/zinc/49/28/42/433492842.db2.gz WRKIJHNPNNTNJA-INIZCTEOSA-N 1 0 311.433 3.050 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)CN1CCOCC[C@H]1C ZINC000362042299 433502306 /nfs/dbraw/zinc/50/23/06/433502306.db2.gz BBRAIXWQCOSGPQ-OAHLLOKOSA-N 1 0 304.434 3.168 10 0 DGAERO c1nc(CN2Cc3ccccc3C3(CC3)C2)n(-c2ccccc2)n1 ZINC000375612570 433508293 /nfs/dbraw/zinc/50/82/93/433508293.db2.gz NMYXUQHPPHPFKC-UHFFFAOYSA-N 1 0 316.408 3.315 10 0 DGAERO C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ncc[nH]1 ZINC000375839905 433588655 /nfs/dbraw/zinc/58/86/55/433588655.db2.gz NVHSLNUFJGGQIH-GUTXKFCHSA-N 1 0 304.463 3.205 10 0 DGAERO COC[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccccc1 ZINC000161522465 292837001 /nfs/dbraw/zinc/83/70/01/292837001.db2.gz JSCAWBYTSLDKND-LJQANCHMSA-N 1 0 316.420 3.235 10 0 DGAERO c1cc(C[NH+]2CCC(c3ccncn3)CC2)n(-c2ccccc2)n1 ZINC000414471619 433632669 /nfs/dbraw/zinc/63/26/69/433632669.db2.gz PSKKMZCQGGNBDO-UHFFFAOYSA-N 1 0 319.412 3.042 10 0 DGAERO CCC[C@@H](C(=O)NCC[C@H](C)c1ccc(OC)cc1)[NH+](C)C ZINC000162281036 292850999 /nfs/dbraw/zinc/85/09/99/292850999.db2.gz NRLZTMIFHJNMBI-YOEHRIQHSA-N 1 0 306.450 3.035 10 0 DGAERO Cc1sccc1CC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000362242432 433594569 /nfs/dbraw/zinc/59/45/69/433594569.db2.gz HHVRFSMPNGTLIT-UHFFFAOYSA-N 1 0 308.491 3.178 10 0 DGAERO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)Nc1ncccn1 ZINC000301547002 433606994 /nfs/dbraw/zinc/60/69/94/433606994.db2.gz FGXFVJMLRXXGOH-KRWDZBQOSA-N 1 0 310.445 3.362 10 0 DGAERO c1c(C[NH2+]Cc2ccc3ncccc3c2)[nH]nc1-c1cccnc1 ZINC000376108513 433667184 /nfs/dbraw/zinc/66/71/84/433667184.db2.gz BTNOZUAHUFMCCL-UHFFFAOYSA-N 1 0 315.380 3.310 10 0 DGAERO CC1CC[NH+](C[C@@H]2CCCN(Cc3ncc(C4CC4)o3)C2)CC1 ZINC000366890599 293000574 /nfs/dbraw/zinc/00/05/74/293000574.db2.gz ZSYBNXWNQBVIAT-INIZCTEOSA-N 1 0 317.477 3.496 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000367125063 293028110 /nfs/dbraw/zinc/02/81/10/293028110.db2.gz CGUMMUDDUSILAS-SQWLQELKSA-N 1 0 309.475 3.275 10 0 DGAERO c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000367294431 293049448 /nfs/dbraw/zinc/04/94/48/293049448.db2.gz KZXFMXNPGKPTCQ-KYHPRHEASA-N 1 0 301.430 3.348 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@H](Sc3nnc(C4CC4)[nH]3)C2)cc1 ZINC000283213283 433693627 /nfs/dbraw/zinc/69/36/27/433693627.db2.gz ZILSZCLCQKKIMW-AWEZNQCLSA-N 1 0 300.431 3.049 10 0 DGAERO c1ccc([C@@H]2CC[C@H](C[NH2+]Cc3cccc4c3OCO4)O2)cc1 ZINC000342450683 433702357 /nfs/dbraw/zinc/70/23/57/433702357.db2.gz PIINGOMYRYCPPN-SJORKVTESA-N 1 0 311.381 3.425 10 0 DGAERO NC(=O)c1ccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000369704843 293136696 /nfs/dbraw/zinc/13/66/96/293136696.db2.gz SBUAAZTXEKVUJD-JCNLHEQBSA-N 1 0 314.816 3.475 10 0 DGAERO CCCNC(=O)CNc1cc(C)[nH+]c2ccc(OC(F)F)cc12 ZINC000301742581 433702778 /nfs/dbraw/zinc/70/27/78/433702778.db2.gz VJHMLAMCXQYVKD-UHFFFAOYSA-N 1 0 323.343 3.083 10 0 DGAERO Cc1nccc(CN2CC[C@H](Oc3ccccc3Cl)C2)n1 ZINC000370673353 293184579 /nfs/dbraw/zinc/18/45/79/293184579.db2.gz MIRTYYLDJGHRAA-AWEZNQCLSA-N 1 0 303.793 3.092 10 0 DGAERO c1c2cccnc2oc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000449049818 433707028 /nfs/dbraw/zinc/70/70/28/433707028.db2.gz SFKTYIFNTGYDME-MAUKXSAKSA-N 1 0 311.429 3.277 10 0 DGAERO Cn1cc(C(=O)N2CCC[C@H]2c2ncc[nH]2)c2cc(F)ccc21 ZINC000373822495 293319731 /nfs/dbraw/zinc/31/97/31/293319731.db2.gz IZMOHJSIEAHOIE-HNNXBMFYSA-N 1 0 312.348 3.018 10 0 DGAERO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000374160444 293359608 /nfs/dbraw/zinc/35/96/08/293359608.db2.gz MSQBIPBINLBPPC-INIZCTEOSA-N 1 0 321.465 3.459 10 0 DGAERO Clc1cccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1Cl ZINC000374290011 293378091 /nfs/dbraw/zinc/37/80/91/293378091.db2.gz XTLBPUJNIGSUIG-SWLSCSKDSA-N 1 0 316.228 3.421 10 0 DGAERO O=C(C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)NC1CCCCC1 ZINC000374305355 293381450 /nfs/dbraw/zinc/38/14/50/293381450.db2.gz IVTOXINLWKVAST-QAPCUYQASA-N 1 0 315.461 3.146 10 0 DGAERO O=C(C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)NC1CCCCC1 ZINC000374305354 293381570 /nfs/dbraw/zinc/38/15/70/293381570.db2.gz IVTOXINLWKVAST-MAUKXSAKSA-N 1 0 315.461 3.146 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H](O)c1ccccc1)CC2 ZINC000374330601 293384869 /nfs/dbraw/zinc/38/48/69/293384869.db2.gz OMPWBEJMKBGSLI-FQEVSTJZSA-N 1 0 309.409 3.023 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc(Br)cn1 ZINC000301780211 433718840 /nfs/dbraw/zinc/71/88/40/433718840.db2.gz RDOKKSDLSFBZOX-CYBMUJFWSA-N 1 0 312.255 3.376 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000376491473 433753473 /nfs/dbraw/zinc/75/34/73/433753473.db2.gz LQILLTCPEXMDAB-HOTGVXAUSA-N 1 0 324.465 3.077 10 0 DGAERO CC(C)c1cc(N2CC[N@@H+]3CCCC[C@H]3C2)nc(C(C)C)n1 ZINC000301840324 433755440 /nfs/dbraw/zinc/75/54/40/433755440.db2.gz AMIRJYLLARZMCW-HNNXBMFYSA-N 1 0 302.466 3.398 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000090226857 293512854 /nfs/dbraw/zinc/51/28/54/293512854.db2.gz YAHUFEDXWLMWNB-IRXDYDNUSA-N 1 0 316.424 3.417 10 0 DGAERO C[NH+]1CCC(CC(=O)NCc2ccc(-c3ccccc3)o2)CC1 ZINC000362642852 433803885 /nfs/dbraw/zinc/80/38/85/433803885.db2.gz KOXZDVAUUVIDSK-UHFFFAOYSA-N 1 0 312.413 3.295 10 0 DGAERO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)nc(C)n1 ZINC000302112816 433814409 /nfs/dbraw/zinc/81/44/09/433814409.db2.gz UZNZYSGYELOPRV-GOSISDBHSA-N 1 0 310.445 3.106 10 0 DGAERO C[NH+]1CCC(CC(=O)N[C@]2(C)CCCc3ccccc32)CC1 ZINC000362683462 433819243 /nfs/dbraw/zinc/81/92/43/433819243.db2.gz KWYLCTATTFXVJC-LJQANCHMSA-N 1 0 300.446 3.086 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1sc(C)nc1C ZINC000362679956 433819556 /nfs/dbraw/zinc/81/95/56/433819556.db2.gz OHDFXJQTNVKRDR-CYBMUJFWSA-N 1 0 310.467 3.146 10 0 DGAERO CC(C)CC[NH+]1CCN(c2ncc(C(F)(F)F)s2)CC1 ZINC000302766570 433855576 /nfs/dbraw/zinc/85/55/76/433855576.db2.gz LUNZZELNWFLLIX-UHFFFAOYSA-N 1 0 307.385 3.330 10 0 DGAERO CC1(C)COCCN1CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436240392 433913076 /nfs/dbraw/zinc/91/30/76/433913076.db2.gz QRLMRYFLJNRQKH-ZWKOTPCHSA-N 1 0 302.462 3.023 10 0 DGAERO c1cc2cc(C[NH+]3CCC(c4nnc5n4CCC5)CC3)ccc2o1 ZINC000377624901 433933482 /nfs/dbraw/zinc/93/34/82/433933482.db2.gz LWAFFXGCRVMLCI-UHFFFAOYSA-N 1 0 322.412 3.350 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000352044215 433881825 /nfs/dbraw/zinc/88/18/25/433881825.db2.gz GJOBKQPLTLMXLY-UHFFFAOYSA-N 1 0 321.486 3.444 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)C2(C)CCC2)[C@@H]1c1cccs1 ZINC000362863782 433889938 /nfs/dbraw/zinc/88/99/38/433889938.db2.gz LWWZAKVEBLJEMY-DZGCQCFKSA-N 1 0 306.475 3.437 10 0 DGAERO c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](C[C@H]4CCC=CO4)C3)n2)cc1 ZINC000377671999 433949272 /nfs/dbraw/zinc/94/92/72/433949272.db2.gz AKNBHDNORPYSBV-IAGOWNOFSA-N 1 0 324.428 3.344 10 0 DGAERO CC(C)(C[NH+]1CCCC1)NC(=O)CC/C=C/c1ccccc1 ZINC000457049655 433953119 /nfs/dbraw/zinc/95/31/19/433953119.db2.gz KORMWZIHEZYBOL-WUXMJOGZSA-N 1 0 300.446 3.471 10 0 DGAERO CC(C)Cn1cc(C(=O)N2CC[NH2+]C(C)(C)C2)c2ccccc21 ZINC000357341712 433962787 /nfs/dbraw/zinc/96/27/87/433962787.db2.gz HWDSBTPYRGTRIJ-UHFFFAOYSA-N 1 0 313.445 3.121 10 0 DGAERO c1ccc([C@H]([NH2+]Cc2nc3ccccc3[nH]2)[C@@H]2CCOC2)cc1 ZINC000357350940 433968549 /nfs/dbraw/zinc/96/85/49/433968549.db2.gz DSGZQVDQLPHWIW-BEFAXECRSA-N 1 0 307.397 3.430 10 0 DGAERO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](C)O ZINC000303983259 433974633 /nfs/dbraw/zinc/97/46/33/433974633.db2.gz GYVPRKGPGVQQHJ-JTQLQIEISA-N 1 0 319.232 3.023 10 0 DGAERO CC(C)[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](C)O ZINC000303997184 433976219 /nfs/dbraw/zinc/97/62/19/433976219.db2.gz PMZZGWWNCYHGKB-JTQLQIEISA-N 1 0 319.232 3.023 10 0 DGAERO CC(C)[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](C)O ZINC000303997185 433977635 /nfs/dbraw/zinc/97/76/35/433977635.db2.gz PMZZGWWNCYHGKB-SNVBAGLBSA-N 1 0 319.232 3.023 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000394853705 293835419 /nfs/dbraw/zinc/83/54/19/293835419.db2.gz VDVCLWMPTQSLJP-GFCCVEGCSA-N 1 0 302.187 3.245 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)CC2 ZINC000377798362 433997907 /nfs/dbraw/zinc/99/79/07/433997907.db2.gz HOADOSIIUVVINM-DNVCBOLYSA-N 1 0 304.397 3.041 10 0 DGAERO CC(=O)[C@](C)(O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000450319578 434100419 /nfs/dbraw/zinc/10/04/19/434100419.db2.gz QZIYJEOXTBOJBD-HXUWFJFHSA-N 1 0 311.425 3.359 10 0 DGAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000309811777 434104059 /nfs/dbraw/zinc/10/40/59/434104059.db2.gz MXXXEBYWXJBHHF-ZBFHGGJFSA-N 1 0 310.397 3.202 10 0 DGAERO C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCC[C@H](O)C1 ZINC000310158568 434108444 /nfs/dbraw/zinc/10/84/44/434108444.db2.gz QRMKEVCXABCWHV-PWSUYJOCSA-N 1 0 318.280 3.494 10 0 DGAERO c1c(CN2CC[C@H]([NH+]3CCCCC3)C2)[nH]nc1-c1ccccc1 ZINC000353404696 434110875 /nfs/dbraw/zinc/11/08/75/434110875.db2.gz PJSVGDSJYHTSHG-SFHVURJKSA-N 1 0 310.445 3.137 10 0 DGAERO C[N@@H+](Cc1ccccc1Br)C[C@H]1CCC[C@@H](O)C1 ZINC000311136990 434112542 /nfs/dbraw/zinc/11/25/42/434112542.db2.gz SFQJDJNXVMKFJL-GXTWGEPZSA-N 1 0 312.251 3.432 10 0 DGAERO c1c(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)nnn1CC1CC1 ZINC000450343470 434113391 /nfs/dbraw/zinc/11/33/91/434113391.db2.gz XWIYODHLUXWMTM-IBGZPJMESA-N 1 0 310.445 3.285 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000313025628 434117390 /nfs/dbraw/zinc/11/73/90/434117390.db2.gz HQNAEYKDXHIIOX-NSHDSACASA-N 1 0 302.187 3.103 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC[C@H]([C@@H](C)[NH3+])C3)c2c1C ZINC000261680960 294080496 /nfs/dbraw/zinc/08/04/96/294080496.db2.gz MKKAYJSNFWWTIL-MFKMUULPSA-N 1 0 304.463 3.180 10 0 DGAERO C[N@H+](CCOc1cccc(Cl)c1)Cc1cnn2ccccc12 ZINC000506162686 294263601 /nfs/dbraw/zinc/26/36/01/294263601.db2.gz DAGFWZIGMWFQOU-UHFFFAOYSA-N 1 0 315.804 3.499 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CNC(=O)NC1(c2ccccc2)CCCCC1 ZINC000506947833 294278702 /nfs/dbraw/zinc/27/87/02/294278702.db2.gz FDHZKOGOCOZAKG-QGZVFWFLSA-N 1 0 315.461 3.239 10 0 DGAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H]2CCC[C@H](C3CC3)C2)cn1 ZINC000328642991 294288347 /nfs/dbraw/zinc/28/83/47/294288347.db2.gz RGGPBVPAZGTQHJ-SCNOPHJPSA-N 1 0 316.449 3.139 10 0 DGAERO CC1(C)C[C@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000507466338 294299662 /nfs/dbraw/zinc/29/96/62/294299662.db2.gz HZWBZVSCYNQLGC-LSDHHAIUSA-N 1 0 322.399 3.059 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1OC ZINC000510701109 294390065 /nfs/dbraw/zinc/39/00/65/294390065.db2.gz GJUDFBLAJIBSJI-GOEBONIOSA-N 1 0 303.402 3.150 10 0 DGAERO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510930016 294396627 /nfs/dbraw/zinc/39/66/27/294396627.db2.gz FPIRBRYPDQANHY-SUMWQHHRSA-N 1 0 322.424 3.074 10 0 DGAERO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510981933 294398595 /nfs/dbraw/zinc/39/85/95/294398595.db2.gz SRKHKALMRNUALV-RBUKOAKNSA-N 1 0 323.452 3.304 10 0 DGAERO c1ccc(N2CC[C@H]([NH2+][C@H]3CCc4ccccc4OC3)C2)cc1 ZINC000511018476 294399209 /nfs/dbraw/zinc/39/92/09/294399209.db2.gz QFLGJMPIUVVKTJ-ROUUACIJSA-N 1 0 308.425 3.249 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)o2)n[nH]1 ZINC000363753707 434135137 /nfs/dbraw/zinc/13/51/37/434135137.db2.gz WLRLJWQLTJAERB-LJQANCHMSA-N 1 0 321.380 3.301 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCCC4(CCOCC4)C3)o2)n[nH]1 ZINC000378329307 434143200 /nfs/dbraw/zinc/14/32/00/434143200.db2.gz CPJUETUMGSQJBC-UHFFFAOYSA-N 1 0 301.390 3.062 10 0 DGAERO c1nc(C2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)c[nH]1 ZINC000378340073 434145019 /nfs/dbraw/zinc/14/50/19/434145019.db2.gz GBNLSZDQBLODFH-HNNXBMFYSA-N 1 0 318.446 3.097 10 0 DGAERO c1coc(-c2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013952 434153046 /nfs/dbraw/zinc/15/30/46/434153046.db2.gz GCOUNPUQZPKSLR-HIFRSBDPSA-N 1 0 317.458 3.367 10 0 DGAERO c1cn(C2CCCC2)nc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422991914 434154856 /nfs/dbraw/zinc/15/48/56/434154856.db2.gz QLGDHXQXJGSGCY-KZNAEPCWSA-N 1 0 302.466 3.009 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000378351598 434156650 /nfs/dbraw/zinc/15/66/50/434156650.db2.gz WUKZNCUZWPAPQQ-PFONDFGASA-N 1 0 316.420 3.316 10 0 DGAERO C[C@@H](CCO)CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000295061589 434174721 /nfs/dbraw/zinc/17/47/21/434174721.db2.gz GOLZLEDILBZEPJ-SNVBAGLBSA-N 1 0 304.203 3.086 10 0 DGAERO Cc1nnc(C[N@@H+]2CCC[C@@]3(C2)CCCCc2ccccc23)n1C ZINC000363948243 434190164 /nfs/dbraw/zinc/19/01/64/434190164.db2.gz JJBOLEYGYJYYIF-HXUWFJFHSA-N 1 0 324.472 3.384 10 0 DGAERO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000286385808 434255127 /nfs/dbraw/zinc/25/51/27/434255127.db2.gz ZIKUAIIZBUQWIB-SOUVJXGZSA-N 1 0 301.402 3.262 10 0 DGAERO c1ccc(C[N@@H+]2CCC[C@H](Nc3ccnc4cccnc43)C2)cc1 ZINC000379159966 434255460 /nfs/dbraw/zinc/25/54/60/434255460.db2.gz JNBWAWSRZOUHLJ-KRWDZBQOSA-N 1 0 318.424 3.128 10 0 DGAERO CC(C)n1cncc1C[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000379615164 434257698 /nfs/dbraw/zinc/25/76/98/434257698.db2.gz AGJZZPKMVJYJEF-UHFFFAOYSA-N 1 0 314.477 3.464 10 0 DGAERO CN(C)C(C)(C)C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000379872012 434262747 /nfs/dbraw/zinc/26/27/47/434262747.db2.gz QAEIKRBWPSKQDG-JTQLQIEISA-N 1 0 317.296 3.428 10 0 DGAERO c1ccc([C@H]2CC[C@@H]([NH2+]CCCNCc3cccnc3)C2)cc1 ZINC000423188979 434269901 /nfs/dbraw/zinc/26/99/01/434269901.db2.gz OEHWEROYOHHTFG-VQTJNVASSA-N 1 0 309.457 3.487 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000437219348 434232640 /nfs/dbraw/zinc/23/26/40/434232640.db2.gz NXXDQLZHCKVDRO-XHSDSOJGSA-N 1 0 306.837 3.187 10 0 DGAERO C[C@H]([NH2+]Cc1c(Br)cnn1C)C1CCCCC1 ZINC000383935505 434286560 /nfs/dbraw/zinc/28/65/60/434286560.db2.gz GEFDEVVUSHLSPU-JTQLQIEISA-N 1 0 300.244 3.241 10 0 DGAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000384297446 434292604 /nfs/dbraw/zinc/29/26/04/434292604.db2.gz XSYOMUXXKUKOPM-PWSUYJOCSA-N 1 0 315.244 3.340 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384276053 434292720 /nfs/dbraw/zinc/29/27/20/434292720.db2.gz TUELPLBRMRGODZ-PWSUYJOCSA-N 1 0 311.223 3.084 10 0 DGAERO CCC[C@@H]([NH2+]Cc1ccc(OCCO)cc1)c1ccccn1 ZINC000358028109 434295139 /nfs/dbraw/zinc/29/51/39/434295139.db2.gz SNWPIHQYDGXYOL-QGZVFWFLSA-N 1 0 300.402 3.084 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@@H](C)O1 ZINC000384964226 434295557 /nfs/dbraw/zinc/29/55/57/434295557.db2.gz XCSAPBBYNJTKDH-JRKPZEMJSA-N 1 0 302.187 3.244 10 0 DGAERO C[C@@H]1CN(Cc2ccc(Br)cc2F)C[C@@]1(C)C[NH3+] ZINC000385591495 434298158 /nfs/dbraw/zinc/29/81/58/434298158.db2.gz IQFLQZMXCGAKOJ-QMTHXVAHSA-N 1 0 315.230 3.005 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Br)s1 ZINC000385809949 434303535 /nfs/dbraw/zinc/30/35/35/434303535.db2.gz QBKXQMSSZAHJAE-GXSJLCMTSA-N 1 0 304.253 3.103 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(F)c1Br ZINC000386241446 434307824 /nfs/dbraw/zinc/30/78/24/434307824.db2.gz HXGFMUWJPLPWCJ-YPMHNXCESA-N 1 0 316.214 3.181 10 0 DGAERO CCC(CC)(CO)C[NH2+]Cc1ccsc1Br ZINC000388540118 434334360 /nfs/dbraw/zinc/33/43/60/434334360.db2.gz UPUDGOWSQKAAHS-UHFFFAOYSA-N 1 0 306.269 3.399 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000450658580 434319716 /nfs/dbraw/zinc/31/97/16/434319716.db2.gz DKZAXWNVNOLUJV-WPPNPWJKSA-N 1 0 308.180 3.123 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000450662122 434324531 /nfs/dbraw/zinc/32/45/31/434324531.db2.gz HMMMIHWFRHEEQT-PIGZYNQJSA-N 1 0 318.442 3.109 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000450728670 434369113 /nfs/dbraw/zinc/36/91/13/434369113.db2.gz PKJQCWQSEWRSEO-JRPNMDOOSA-N 1 0 317.351 3.127 10 0 DGAERO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccsc1Br ZINC000388874285 434340831 /nfs/dbraw/zinc/34/08/31/434340831.db2.gz DDOCZUIOONDTCJ-BXKDBHETSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000389076294 434340912 /nfs/dbraw/zinc/34/09/12/434340912.db2.gz ZABKLOHHFPVWOR-XWIASGKRSA-N 1 0 304.217 3.121 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000389225511 434348252 /nfs/dbraw/zinc/34/82/52/434348252.db2.gz GXGFXVUISBCZRR-ZYHUDNBSSA-N 1 0 315.230 3.333 10 0 DGAERO CCN1CC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000389236175 434348630 /nfs/dbraw/zinc/34/86/30/434348630.db2.gz JTOHXJXKSGDQHM-ZFWWWQNUSA-N 1 0 309.251 3.120 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000358146484 434348831 /nfs/dbraw/zinc/34/88/31/434348831.db2.gz XDRUUBJJRQGUBQ-AWEZNQCLSA-N 1 0 305.491 3.010 10 0 DGAERO CC(C)n1cncc1C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389787261 434350701 /nfs/dbraw/zinc/35/07/01/434350701.db2.gz MUIFYCVNXQMABE-LPHOPBHVSA-N 1 0 312.461 3.074 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]CC1=CCOCC1)CC2 ZINC000397904993 434445312 /nfs/dbraw/zinc/44/53/12/434445312.db2.gz ZHGYUFAXOBXTQO-HNNXBMFYSA-N 1 0 308.219 3.373 10 0 DGAERO CC[N@@H+]1CCC[C@H](NCc2cccc(F)c2Br)C1 ZINC000394480364 434402648 /nfs/dbraw/zinc/40/26/48/434402648.db2.gz PNENGMDBIMPPLO-LBPRGKRZSA-N 1 0 315.230 3.162 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cs1 ZINC000438105254 434410262 /nfs/dbraw/zinc/41/02/62/434410262.db2.gz ZQHYCXHDRDNLFP-IUODEOHRSA-N 1 0 303.431 3.139 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1csc(Br)c1 ZINC000395192316 434413129 /nfs/dbraw/zinc/41/31/29/434413129.db2.gz IYMAOFKESAANLW-GHMZBOCLSA-N 1 0 304.253 3.103 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000395253222 434414079 /nfs/dbraw/zinc/41/40/79/434414079.db2.gz ZGTWOLDIDXMSTI-SWLSCSKDSA-N 1 0 312.251 3.398 10 0 DGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccnc(C)n2)C12CCCCC2 ZINC000366425963 434415741 /nfs/dbraw/zinc/41/57/41/434415741.db2.gz DLQQDKAZIGJSKU-IRXDYDNUSA-N 1 0 303.450 3.345 10 0 DGAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1Cl)C1CC1 ZINC000450800711 434416095 /nfs/dbraw/zinc/41/60/95/434416095.db2.gz ZIYJMVKVTYAGJF-INIZCTEOSA-N 1 0 306.837 3.315 10 0 DGAERO [NH3+]CC1(CCNc2ncc(Cl)cc2Br)CC1 ZINC000395851118 434417494 /nfs/dbraw/zinc/41/74/94/434417494.db2.gz FLZOKGPEPGSQFO-UHFFFAOYSA-N 1 0 304.619 3.038 10 0 DGAERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]C[C@@H]1CCSC1 ZINC000397462112 434437112 /nfs/dbraw/zinc/43/71/12/434437112.db2.gz TZNIJRZBIVSVJN-LBPRGKRZSA-N 1 0 302.484 3.023 10 0 DGAERO Fc1cc(Br)ccc1C[NH2+]CCOCC1CCC1 ZINC000520974964 294851938 /nfs/dbraw/zinc/85/19/38/294851938.db2.gz MHZGTZQZLFLVHU-UHFFFAOYSA-N 1 0 316.214 3.495 10 0 DGAERO Cc1cc[nH]c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000366635858 434472355 /nfs/dbraw/zinc/47/23/55/434472355.db2.gz RHRNQBLZFJJQCJ-CZUORRHYSA-N 1 0 317.458 3.198 10 0 DGAERO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1Br ZINC000399075645 434475526 /nfs/dbraw/zinc/47/55/26/434475526.db2.gz MOJYFKPIAQXNQS-RRFJBIMHSA-N 1 0 324.262 3.350 10 0 DGAERO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000450908448 434479256 /nfs/dbraw/zinc/47/92/56/434479256.db2.gz RTOFGZURHKIFAH-AYOQOUSVSA-N 1 0 313.445 3.112 10 0 DGAERO CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000458112844 434487071 /nfs/dbraw/zinc/48/70/71/434487071.db2.gz QPZOZKBBWVZMNW-PKOBYXMFSA-N 1 0 300.446 3.447 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCS1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400736252 434492154 /nfs/dbraw/zinc/49/21/54/434492154.db2.gz RTUCPFLCGCRJNO-BFHYXJOUSA-N 1 0 314.495 3.117 10 0 DGAERO CCCCNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398126302 434457714 /nfs/dbraw/zinc/45/77/14/434457714.db2.gz YYYPLIBFDPOEFJ-SFHVURJKSA-N 1 0 303.450 3.140 10 0 DGAERO O[C@]1(CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCOC1 ZINC000404203987 434509067 /nfs/dbraw/zinc/50/90/67/434509067.db2.gz SOLGRDNAEXKHLX-UKRRQHHQSA-N 1 0 313.850 3.008 10 0 DGAERO Brc1ccc(OCC[NH2+]Cc2ccns2)cc1 ZINC000404286266 434511417 /nfs/dbraw/zinc/51/14/17/434511417.db2.gz SEYFHHMMINFGOW-UHFFFAOYSA-N 1 0 313.220 3.074 10 0 DGAERO c1c(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3CCC[C@@H]32)nnn1CC1CC1 ZINC000450979120 434511912 /nfs/dbraw/zinc/51/19/12/434511912.db2.gz HMGWGXYQIGDNBB-UFYCRDLUSA-N 1 0 322.456 3.456 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407250672 434530123 /nfs/dbraw/zinc/53/01/23/434530123.db2.gz FCDOAMFTRWNHOH-KGLIPLIRSA-N 1 0 323.234 3.227 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000451040098 434544137 /nfs/dbraw/zinc/54/41/37/434544137.db2.gz FOCHLLNNEGQLQA-GJZGRUSLSA-N 1 0 316.228 3.374 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCCC2CC2)C1 ZINC000524564030 294979217 /nfs/dbraw/zinc/97/92/17/294979217.db2.gz VIFLMYLOSPWQRD-HZPDHXFCSA-N 1 0 309.498 3.234 10 0 DGAERO c1ccc(OC2CC2)c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000451067294 434550498 /nfs/dbraw/zinc/55/04/98/434550498.db2.gz ZBROMYIBNPDTJH-KRWDZBQOSA-N 1 0 301.430 3.476 10 0 DGAERO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(Cl)sc2Cl)C1 ZINC000525291611 295010662 /nfs/dbraw/zinc/01/06/62/295010662.db2.gz LFOSHZUVJQLOAU-MRVPVSSYSA-N 1 0 307.246 3.127 10 0 DGAERO Cc1ccc(-c2noc(C[N@H+]3CC[C@H](C)C[C@H]3[C@@H](C)O)n2)cc1 ZINC000525957268 295045449 /nfs/dbraw/zinc/04/54/49/295045449.db2.gz IOSZTEMPRPXUMH-LZWOXQAQSA-N 1 0 315.417 3.026 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000526000990 295049839 /nfs/dbraw/zinc/04/98/39/295049839.db2.gz BZMYKCCLMIHAFU-DOTOQJQBSA-N 1 0 321.440 3.055 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000526000993 295050098 /nfs/dbraw/zinc/05/00/98/295050098.db2.gz BZMYKCCLMIHAFU-WBVHZDCISA-N 1 0 321.440 3.055 10 0 DGAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000526117038 295059198 /nfs/dbraw/zinc/05/91/98/295059198.db2.gz PWFBDVFMVRDFQQ-XLAORIBOSA-N 1 0 321.486 3.268 10 0 DGAERO Cc1ccncc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000527522021 295100645 /nfs/dbraw/zinc/10/06/45/295100645.db2.gz AGVKFLFFDLPQFN-QGZVFWFLSA-N 1 0 303.837 3.436 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527658718 295111474 /nfs/dbraw/zinc/11/14/74/295111474.db2.gz JIJLEQHGNXXPMP-SNVBAGLBSA-N 1 0 322.193 3.224 10 0 DGAERO C[NH+](C)[C@H]1CCC[C@@H](NCc2ccsc2Br)C1 ZINC000527670395 295113128 /nfs/dbraw/zinc/11/31/28/295113128.db2.gz OBRHWMMLZSZTQL-NEPJUHHUSA-N 1 0 317.296 3.473 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCN2C2CCCCC2)n(-c2ccccc2)n1 ZINC000527751380 295125349 /nfs/dbraw/zinc/12/53/49/295125349.db2.gz HACAFBZPUVRXED-LJQANCHMSA-N 1 0 324.472 3.369 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]C[C@@H]3CCN3C3CCCCC3)cc2)c1 ZINC000527750851 295125513 /nfs/dbraw/zinc/12/55/13/295125513.db2.gz GCXRXHYDDXLLAS-FQEVSTJZSA-N 1 0 324.472 3.369 10 0 DGAERO COc1ccc(C[C@H](C)C[NH2+][C@H](C)C2(OC)CCOCC2)cc1 ZINC000453176731 295139980 /nfs/dbraw/zinc/13/99/80/295139980.db2.gz MWAFESYWZYTIEW-JKSUJKDBSA-N 1 0 321.461 3.048 10 0 DGAERO C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CCN1C1CCCC1 ZINC000528002781 295164606 /nfs/dbraw/zinc/16/46/06/295164606.db2.gz QXVCNDNPMIJRKR-LULLPPNCSA-N 1 0 306.494 3.188 10 0 DGAERO Brc1ccc([C@@H]([NH2+]CC2COC2)c2ccco2)cc1 ZINC000528027587 295168697 /nfs/dbraw/zinc/16/86/97/295168697.db2.gz UUGRMPYSCFJDPK-OAHLLOKOSA-N 1 0 322.202 3.368 10 0 DGAERO c1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2COC2)CCC3)cc1 ZINC000528026678 295168851 /nfs/dbraw/zinc/16/88/51/295168851.db2.gz QBQPGFMCASWDPW-CQSZACIVSA-N 1 0 300.427 3.424 10 0 DGAERO C[N@@H+](Cc1ccc(Br)c(F)c1F)C[C@H]1CCOC1 ZINC000528400417 295209284 /nfs/dbraw/zinc/20/92/84/295209284.db2.gz XNTPBLFECSNOIE-SECBINFHSA-N 1 0 320.177 3.196 10 0 DGAERO CCn1nncc1C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000459388711 434575448 /nfs/dbraw/zinc/57/54/48/434575448.db2.gz PCLLTYFQOKZEIJ-QGZVFWFLSA-N 1 0 302.397 3.458 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000452320587 434589889 /nfs/dbraw/zinc/58/98/89/434589889.db2.gz VLWRZYISVQUOLH-INIZCTEOSA-N 1 0 324.827 3.238 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCc3cccc(Cl)c3)[C@@H]2C1 ZINC000459571490 434613627 /nfs/dbraw/zinc/61/36/27/434613627.db2.gz RHPWPHYUAYKWTE-JQHSSLGASA-N 1 0 320.864 3.119 10 0 DGAERO COCCC1(C)C[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000459633649 434641323 /nfs/dbraw/zinc/64/13/23/434641323.db2.gz QGXLVOJYQJBOFA-UHFFFAOYSA-N 1 0 317.351 3.486 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459546512 434603921 /nfs/dbraw/zinc/60/39/21/434603921.db2.gz RBELPNUWTRPXHW-IAGOWNOFSA-N 1 0 305.462 3.277 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](C)OC)[C@H]1Sc1ccccc1 ZINC000459560024 434607569 /nfs/dbraw/zinc/60/75/69/434607569.db2.gz JGIGVQRMHPICJB-MAURAIGZSA-N 1 0 309.475 3.338 10 0 DGAERO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000371414601 434697176 /nfs/dbraw/zinc/69/71/76/434697176.db2.gz JTUHIIYJJHAAMZ-MRXNPFEDSA-N 1 0 309.417 3.213 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000371239192 434660401 /nfs/dbraw/zinc/66/04/01/434660401.db2.gz YZDZBMCQFKLYIO-MHIBTWIVSA-N 1 0 316.420 3.220 10 0 DGAERO CCC1CCC(N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000460223173 434748923 /nfs/dbraw/zinc/74/89/23/434748923.db2.gz BGOSCWCNWVOCNH-UHFFFAOYSA-N 1 0 307.482 3.249 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(Cc2cccs2)C(C)C)CC1 ZINC000460233602 434749939 /nfs/dbraw/zinc/74/99/39/434749939.db2.gz VDZFWNCHOLLIOF-UHFFFAOYSA-N 1 0 321.490 3.320 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000460230313 434750453 /nfs/dbraw/zinc/75/04/53/434750453.db2.gz PZNYXRQDGLSNDZ-IKGGRYGDSA-N 1 0 305.466 3.001 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCc3c2cccc3Cl)CC1 ZINC000460233551 434750531 /nfs/dbraw/zinc/75/05/31/434750531.db2.gz VWCSILCKBOCHQV-UHFFFAOYSA-N 1 0 319.836 3.064 10 0 DGAERO c1csc([C@@H](Cc2ccncc2)[NH2+]CC2=CCOCC2)c1 ZINC000424342022 434706146 /nfs/dbraw/zinc/70/61/46/434706146.db2.gz CBAJYCHHDXYZMF-MRXNPFEDSA-N 1 0 300.427 3.363 10 0 DGAERO O=C(C[NH2+]C1(c2ccccc2)CCCCC1)NC1CCCC1 ZINC000440916293 434754890 /nfs/dbraw/zinc/75/48/90/434754890.db2.gz RSRYSUVTLXSNIU-UHFFFAOYSA-N 1 0 300.446 3.494 10 0 DGAERO Cc1sc(NC(=O)C[NH2+]C2(CCO)CCCCC2)c(C)c1C ZINC000440909843 434755308 /nfs/dbraw/zinc/75/53/08/434755308.db2.gz PDOGCUSWAROWIY-UHFFFAOYSA-N 1 0 324.490 3.287 10 0 DGAERO c1cn(C2CCCC2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441280668 434762473 /nfs/dbraw/zinc/76/24/73/434762473.db2.gz SOCHICUSVQUOHS-CVEARBPZSA-N 1 0 303.450 3.247 10 0 DGAERO COC1([C@@H](C)[NH2+]CC2(c3ccccc3C)CC2)CCOCC1 ZINC000453089623 434797550 /nfs/dbraw/zinc/79/75/50/434797550.db2.gz KESMEELCKRNEBR-MRXNPFEDSA-N 1 0 303.446 3.200 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2Cc3ccccc3[C@H]2C)C1 ZINC000361131262 434805355 /nfs/dbraw/zinc/80/53/55/434805355.db2.gz IMDMWQYWHACQHO-CKEIUWERSA-N 1 0 301.434 3.002 10 0 DGAERO COCc1cccc(C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000372248233 434817675 /nfs/dbraw/zinc/81/76/75/434817675.db2.gz GDQIIMXQTIGBHC-UHFFFAOYSA-N 1 0 303.446 3.472 10 0 DGAERO COc1c2ccccc2oc1C[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453223510 434833061 /nfs/dbraw/zinc/83/30/61/434833061.db2.gz WEXJBLGWUWBHHS-CYBMUJFWSA-N 1 0 319.401 3.115 10 0 DGAERO C[C@H](CCCO)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000453282775 434848043 /nfs/dbraw/zinc/84/80/43/434848043.db2.gz VAMSGWLXFJLCEW-CXAGYDPISA-N 1 0 321.852 3.161 10 0 DGAERO CC(C)c1nn(C)cc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000573162994 434878197 /nfs/dbraw/zinc/87/81/97/434878197.db2.gz BFTVFGQQDCPMJC-UHFFFAOYSA-N 1 0 306.454 3.137 10 0 DGAERO c1ccc(COC2CC([NH2+]CCCNc3ccccn3)C2)cc1 ZINC000491914344 434881073 /nfs/dbraw/zinc/88/10/73/434881073.db2.gz OJVXXTTVFUUFEH-UHFFFAOYSA-N 1 0 311.429 3.221 10 0 DGAERO CCC(CC)(CNC(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000573290590 434886543 /nfs/dbraw/zinc/88/65/43/434886543.db2.gz FXWHROVUGWMPHG-UHFFFAOYSA-N 1 0 319.493 3.338 10 0 DGAERO c1ccc2c(c1)CC[C@@H](Nc1cc(N3CCCCC3)ncn1)C2 ZINC000521060836 434868711 /nfs/dbraw/zinc/86/87/11/434868711.db2.gz LZCQKIUPDUQVIY-QGZVFWFLSA-N 1 0 308.429 3.436 10 0 DGAERO O=C(NCCCC1CC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000522906155 434935175 /nfs/dbraw/zinc/93/51/75/434935175.db2.gz HGIFDXVAIVNVGR-SFHVURJKSA-N 1 0 315.461 3.140 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000523451915 434950459 /nfs/dbraw/zinc/95/04/59/434950459.db2.gz WZFDASMGRUPBNP-SJLPKXTDSA-N 1 0 317.477 3.080 10 0 DGAERO CC[C@@](C)(CCO)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462786657 434927738 /nfs/dbraw/zinc/92/77/38/434927738.db2.gz ZUQDACDQJDAELX-SFHVURJKSA-N 1 0 307.434 3.283 10 0 DGAERO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462799506 434930158 /nfs/dbraw/zinc/93/01/58/434930158.db2.gz ULYVXCPYHOUZIN-KBPBESRZSA-N 1 0 307.434 3.139 10 0 DGAERO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H](O)C(C)(C)C ZINC000573867937 434931664 /nfs/dbraw/zinc/93/16/64/434931664.db2.gz VYSYHLINPYEUNU-CYBMUJFWSA-N 1 0 305.340 3.424 10 0 DGAERO CCC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)CC(C)(C)O ZINC000556940444 435039413 /nfs/dbraw/zinc/03/94/13/435039413.db2.gz WUHNGUDMNSLXMB-UHFFFAOYSA-N 1 0 303.406 3.028 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC2(C1)CCCCC2 ZINC000465760540 435043246 /nfs/dbraw/zinc/04/32/46/435043246.db2.gz ROOGNFRMIQTSNO-DLBZAZTESA-N 1 0 321.509 3.473 10 0 DGAERO CC(=O)N1CCC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000474106155 435146439 /nfs/dbraw/zinc/14/64/39/435146439.db2.gz SGJKBCXWLBLQNP-LJQANCHMSA-N 1 0 302.462 3.371 10 0 DGAERO Cn1cc(C[NH2+]CCOCC2CCC2)c(-c2cccs2)n1 ZINC000558649019 435103487 /nfs/dbraw/zinc/10/34/87/435103487.db2.gz AYWRBQVBDJRUSQ-UHFFFAOYSA-N 1 0 305.447 3.055 10 0 DGAERO Cc1noc(C)c1C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531614792 435106201 /nfs/dbraw/zinc/10/62/01/435106201.db2.gz CTIMXFCHPBLDLE-CQSZACIVSA-N 1 0 308.422 3.235 10 0 DGAERO Cc1ncc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)s1 ZINC000531870051 435124096 /nfs/dbraw/zinc/12/40/96/435124096.db2.gz TWIDJJGWHRYBDS-CYBMUJFWSA-N 1 0 310.463 3.395 10 0 DGAERO c1ccc2nc(N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)ccc2c1 ZINC000531911761 435127857 /nfs/dbraw/zinc/12/78/57/435127857.db2.gz GDAVYLTULOBTFR-ZWKOTPCHSA-N 1 0 311.429 3.290 10 0 DGAERO CC[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000468943142 435129470 /nfs/dbraw/zinc/12/94/70/435129470.db2.gz IWZWABCWNXCGJF-YUELXQCFSA-N 1 0 300.368 3.437 10 0 DGAERO CC(C)N(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C)C1CCCC1 ZINC000470930511 435136441 /nfs/dbraw/zinc/13/64/41/435136441.db2.gz IXGGXLMFSCRTSB-JSGCOSHPSA-N 1 0 320.399 3.439 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(OC)c1 ZINC000475287695 435188169 /nfs/dbraw/zinc/18/81/69/435188169.db2.gz OOGLZQZWJXQNLK-MFKMUULPSA-N 1 0 303.324 3.477 10 0 DGAERO Cc1ccc(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000532802841 435192821 /nfs/dbraw/zinc/19/28/21/435192821.db2.gz CGFXQBBMSONQJT-QGZVFWFLSA-N 1 0 318.461 3.245 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 ZINC000474661505 435156332 /nfs/dbraw/zinc/15/63/32/435156332.db2.gz YBQRBPWPZZKNPC-KBXCAEBGSA-N 1 0 318.417 3.397 10 0 DGAERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000532379061 435161851 /nfs/dbraw/zinc/16/18/51/435161851.db2.gz SXAQCQXTCMPKDR-MRXNPFEDSA-N 1 0 304.434 3.068 10 0 DGAERO c1c[nH]c(C2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)n1 ZINC000533484226 435239525 /nfs/dbraw/zinc/23/95/25/435239525.db2.gz SEKLTDKEZBSIPK-UHFFFAOYSA-N 1 0 319.412 3.246 10 0 DGAERO COc1nc2ccccc2cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000535083937 435318699 /nfs/dbraw/zinc/31/86/99/435318699.db2.gz QCRRXSLJOADZMC-UHFFFAOYSA-N 1 0 322.412 3.346 10 0 DGAERO c1ccc(-c2nnc([C@H]3CCC[N@H+]3C[C@H]3CCCOC3)[nH]2)cc1 ZINC000535764840 435347132 /nfs/dbraw/zinc/34/71/32/435347132.db2.gz JQOQRXYEPZZIFX-GDBMZVCRSA-N 1 0 312.417 3.035 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](O)COCC(C)C ZINC000513014680 435373979 /nfs/dbraw/zinc/37/39/79/435373979.db2.gz LQTLCESPXILLSX-QHIITQONSA-N 1 0 311.853 3.366 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H](C)CN1CCCC1=O ZINC000512995983 435375180 /nfs/dbraw/zinc/37/51/80/435375180.db2.gz ATNFRXPNXJQDAW-UELRPHRMSA-N 1 0 306.837 3.344 10 0 DGAERO C[C@](O)(C[NH2+]Cc1cnc2ccc(Cl)cn12)C1CCCCC1 ZINC000480480935 435380286 /nfs/dbraw/zinc/38/02/86/435380286.db2.gz WWGDTXRNKPVKAN-KRWDZBQOSA-N 1 0 321.852 3.409 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC000644051608 435399772 /nfs/dbraw/zinc/39/97/72/435399772.db2.gz GIIXXYXOCRLCSE-PELKAZGASA-N 1 0 301.217 3.169 10 0 DGAERO O[C@@H](C[NH2+]CCCc1c(Cl)cccc1Cl)C(F)(F)F ZINC000482215903 435457226 /nfs/dbraw/zinc/45/72/26/435457226.db2.gz XVVNEGRFEBNOMW-NSHDSACASA-N 1 0 316.150 3.439 10 0 DGAERO OC1(Cc2ccc(F)cc2)CC[NH+](CCc2ccccc2)CC1 ZINC000481581876 435435295 /nfs/dbraw/zinc/43/52/95/435435295.db2.gz PLYDEWZZTYWMAF-UHFFFAOYSA-N 1 0 313.416 3.438 10 0 DGAERO CC(C)(C)[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000483236626 435504063 /nfs/dbraw/zinc/50/40/63/435504063.db2.gz VBFOLLIFNDEBFC-ROUUACIJSA-N 1 0 305.462 3.322 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CCc1ccc(Cl)cc1Cl ZINC000538315405 435492942 /nfs/dbraw/zinc/49/29/42/435492942.db2.gz GDGZMPSOGITRSW-UHFFFAOYSA-N 1 0 317.260 3.336 10 0 DGAERO C[C@@H]([NH2+]CCCC1CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000539071698 435537131 /nfs/dbraw/zinc/53/71/31/435537131.db2.gz SXTNHHAXDJYIJR-VQIMIIECSA-N 1 0 302.462 3.228 10 0 DGAERO Cc1nc(-c2ccccc2)sc1C(=O)N(C)CCC[NH+](C)C ZINC000539417716 435552269 /nfs/dbraw/zinc/55/22/69/435552269.db2.gz UHNIIQDMELATTR-UHFFFAOYSA-N 1 0 317.458 3.142 10 0 DGAERO COc1cccc(C[C@H]([NH2+]CCN2CC=C(C)CC2)C2CC2)c1 ZINC000569980836 435578458 /nfs/dbraw/zinc/57/84/58/435578458.db2.gz UUGVMPLGXXULSU-FQEVSTJZSA-N 1 0 314.473 3.258 10 0 DGAERO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1C[C@@H]1C ZINC000540118612 435589371 /nfs/dbraw/zinc/58/93/71/435589371.db2.gz PIRRWDHDBWUIMM-GZBFAFLISA-N 1 0 308.853 3.323 10 0 DGAERO C/C=C\COc1ccc(CC[C@H](C)[NH2+]Cc2ccn(C)n2)cc1 ZINC000539063517 435538632 /nfs/dbraw/zinc/53/86/32/435538632.db2.gz JAYFLYKVRGSJOS-AWFCHZOYSA-N 1 0 313.445 3.486 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2cc(C)ccc2OC)n1 ZINC000484279451 435541347 /nfs/dbraw/zinc/54/13/47/435541347.db2.gz VUSQRTOBLUMVIB-CQSZACIVSA-N 1 0 300.402 3.301 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000540702456 435614965 /nfs/dbraw/zinc/61/49/65/435614965.db2.gz UFSWTEPLNDSJRQ-QFBILLFUSA-N 1 0 313.441 3.474 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000486241699 435592950 /nfs/dbraw/zinc/59/29/50/435592950.db2.gz CXAQHOGZQMRFAJ-IRXDYDNUSA-N 1 0 316.489 3.492 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000540516298 435606587 /nfs/dbraw/zinc/60/65/87/435606587.db2.gz BRGNZBYLFASJPV-UHFFFAOYSA-N 1 0 322.758 3.383 10 0 DGAERO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CC[C@H]3C3CCC3)n2)c1 ZINC000570698543 435643023 /nfs/dbraw/zinc/64/30/23/435643023.db2.gz JERRKZRGQPHKJE-AEGPPILISA-N 1 0 311.433 3.404 10 0 DGAERO c1ccc(CCN2CCC([NH2+]CCOCC3CCC3)CC2)cc1 ZINC000570769096 435647885 /nfs/dbraw/zinc/64/78/85/435647885.db2.gz IEGUQPGOKFHKAQ-UHFFFAOYSA-N 1 0 316.489 3.100 10 0 DGAERO COC[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000548064650 435664739 /nfs/dbraw/zinc/66/47/39/435664739.db2.gz UOSYZHPAWIPKDE-GOSISDBHSA-N 1 0 318.461 3.145 10 0 DGAERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000548158080 435672632 /nfs/dbraw/zinc/67/26/32/435672632.db2.gz ARGKEYVOEYUNRL-CABCVRRESA-N 1 0 311.466 3.388 10 0 DGAERO CN1CC[NH+](Cc2ccc(N[C@@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000548884932 435724212 /nfs/dbraw/zinc/72/42/12/435724212.db2.gz HGJHBHXXOJGDRW-WOJBJXKFSA-N 1 0 313.489 3.425 10 0 DGAERO CN1CC[NH+](Cc2ccc(N[C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000548884929 435725722 /nfs/dbraw/zinc/72/57/22/435725722.db2.gz HGJHBHXXOJGDRW-PMACEKPBSA-N 1 0 313.489 3.425 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000491382104 435739988 /nfs/dbraw/zinc/73/99/88/435739988.db2.gz AMVLHSPSJICPCA-FGTMMUONSA-N 1 0 310.445 3.385 10 0 DGAERO CC[C@@H](O)C[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187225 435749331 /nfs/dbraw/zinc/74/93/31/435749331.db2.gz JLXIYZGPOZOOKD-KGLIPLIRSA-N 1 0 305.315 3.347 10 0 DGAERO c1csc(-c2noc(CCC[N@@H+]3CC[C@@H](C4CC4)C3)n2)c1 ZINC000491107917 435706133 /nfs/dbraw/zinc/70/61/33/435706133.db2.gz FFGVKYFJLRVMJJ-CYBMUJFWSA-N 1 0 303.431 3.463 10 0 DGAERO c1cc2c(cc1CN1CCO[C@@H](C3CCCCC3)C1)C[NH2+]CC2 ZINC000571453260 435708093 /nfs/dbraw/zinc/70/80/93/435708093.db2.gz PJFBHLWRHKCEEJ-HXUWFJFHSA-N 1 0 314.473 3.113 10 0 DGAERO Clc1ccc(COCC[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000548793068 435719792 /nfs/dbraw/zinc/71/97/92/435719792.db2.gz VSHYCAOBEDQNEM-MRXNPFEDSA-N 1 0 309.837 3.405 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H]3CC(C)=C[C@H](C)C3)[C@H]2C1 ZINC000572269941 435804914 /nfs/dbraw/zinc/80/49/14/435804914.db2.gz YPOKRYDPKIECIJ-CTXVOCDESA-N 1 0 304.478 3.215 10 0 DGAERO C[C@H]1OCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000190556475 300587617 /nfs/dbraw/zinc/58/76/17/300587617.db2.gz FQRCIISCHSJOEF-IAGOWNOFSA-N 1 0 322.493 3.107 10 0 DGAERO CC(C)Cc1cccc([C@@H](C)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000552411610 435902097 /nfs/dbraw/zinc/90/20/97/435902097.db2.gz JMNALWQUKBJOSH-MRXNPFEDSA-N 1 0 304.478 3.399 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Cl)cc(Cl)c1 ZINC000552576518 435906350 /nfs/dbraw/zinc/90/63/50/435906350.db2.gz ZUAWHEOPQSBRLC-DTWKUNHWSA-N 1 0 310.246 3.077 10 0 DGAERO Brc1ccc(N2CCC([C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656609881 435983397 /nfs/dbraw/zinc/98/33/97/435983397.db2.gz YVEBLXUYQXYSDW-ZDUSSCGKSA-N 1 0 324.266 3.060 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)CC(C)(C)C1 ZINC000657545203 436242133 /nfs/dbraw/zinc/24/21/33/436242133.db2.gz AGALEUBHNQFVRK-KGLIPLIRSA-N 1 0 301.496 3.006 10 0 DGAERO C[C@@H](NC(=O)c1cccc2c1C[NH2+]C2)c1ccc(Cl)s1 ZINC000662383416 436341814 /nfs/dbraw/zinc/34/18/14/436341814.db2.gz IZUUNCPKIVKVQR-SECBINFHSA-N 1 0 306.818 3.496 10 0 DGAERO Cc1csc([C@H]2CCCCN2C(=O)C[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000261668405 302444826 /nfs/dbraw/zinc/44/48/26/302444826.db2.gz FVKZJEFQBKKIHS-BFHYXJOUSA-N 1 0 307.463 3.023 10 0 DGAERO [NH3+]CC1(N(Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000095835417 303370777 /nfs/dbraw/zinc/37/07/77/303370777.db2.gz RLBXSRVAOYGADJ-UHFFFAOYSA-N 1 0 310.441 3.197 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3N[C@@H]1CCC[NH2+]C1)CCCC2 ZINC000423192891 304850449 /nfs/dbraw/zinc/85/04/49/304850449.db2.gz QCJCKZDDZJAQND-AEFFLSMTSA-N 1 0 300.446 3.121 10 0 DGAERO COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)cc1O ZINC000178620816 312791197 /nfs/dbraw/zinc/79/11/97/312791197.db2.gz JIWKCNAQHFJWQQ-UHFFFAOYSA-N 1 0 309.369 3.081 10 0 DGAERO CC(C)N(CCc1nccs1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000178923792 312793660 /nfs/dbraw/zinc/79/36/60/312793660.db2.gz VAJCVWZKAFPXOW-UHFFFAOYSA-N 1 0 323.506 3.043 10 0 DGAERO OC[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(Br)c1 ZINC000178947426 312794028 /nfs/dbraw/zinc/79/40/28/312794028.db2.gz XGTSAIVQWRKANS-WFASDCNBSA-N 1 0 310.235 3.428 10 0 DGAERO OC[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(Br)c1 ZINC000178947441 312794307 /nfs/dbraw/zinc/79/43/07/312794307.db2.gz XGTSAIVQWRKANS-IUODEOHRSA-N 1 0 310.235 3.428 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179567614 312809716 /nfs/dbraw/zinc/80/97/16/312809716.db2.gz PSPPLVARFWZDMA-UHFFFAOYSA-N 1 0 316.376 3.298 10 0 DGAERO Clc1cccc(Cl)c1OCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299921550 312819814 /nfs/dbraw/zinc/81/98/14/312819814.db2.gz MMBMFFQCNPBBES-SMDDNHRTSA-N 1 0 315.244 3.056 10 0 DGAERO COc1cc2c(cc1F)[nH+]ccc2N1CC[C@]2(C1)CCCOC2 ZINC000376473273 312953621 /nfs/dbraw/zinc/95/36/21/312953621.db2.gz HICWLQHKRPAHNS-SFHVURJKSA-N 1 0 316.376 3.389 10 0 DGAERO c1ccc([C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C2CCC2)nc1 ZINC000528658358 313053384 /nfs/dbraw/zinc/05/33/84/313053384.db2.gz MNFWWDGNPCRJJY-SFHVURJKSA-N 1 0 316.445 3.446 10 0 DGAERO c1cc(CN[C@@H]2CC[NH2+]C23CCC3)cc(OC2CCCC2)c1 ZINC000530176852 313334095 /nfs/dbraw/zinc/33/40/95/313334095.db2.gz DKWGPUUQTVXGGI-GOSISDBHSA-N 1 0 300.446 3.382 10 0 DGAERO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(Br)c(F)c1F ZINC000530223625 313342495 /nfs/dbraw/zinc/34/24/95/313342495.db2.gz OCPUFLOLAMVAAG-WPRPVWTQSA-N 1 0 319.193 3.039 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ncccc1F ZINC000530529639 313381222 /nfs/dbraw/zinc/38/12/22/313381222.db2.gz ZOYIOLIFFYXJSR-CRAIPNDOSA-N 1 0 313.420 3.221 10 0 DGAERO Cc1nn(C)c(C)c1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000537511683 313816650 /nfs/dbraw/zinc/81/66/50/313816650.db2.gz QWPSWQRVJQODND-DYVFJYSZSA-N 1 0 304.482 3.492 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000538315401 313856317 /nfs/dbraw/zinc/85/63/17/313856317.db2.gz HRWSKAAAWJGZTN-RTBURBONSA-N 1 0 310.441 3.353 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000538317015 313856543 /nfs/dbraw/zinc/85/65/43/313856543.db2.gz WIHLEJNSNHDOAI-UHFFFAOYSA-N 1 0 316.367 3.205 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CSc1ccc2ccccc2c1 ZINC000538316096 313856702 /nfs/dbraw/zinc/85/67/02/313856702.db2.gz QFMJJBRLTQBCPD-UHFFFAOYSA-N 1 0 316.470 3.342 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000540156160 313949668 /nfs/dbraw/zinc/94/96/68/313949668.db2.gz FPILHLBIMRUMOR-CRAIPNDOSA-N 1 0 317.477 3.340 10 0 DGAERO O=S1(=O)CCc2cc(C[NH2+][C@H]3CCCC[C@H]3C3CC3)ccc21 ZINC000540953829 313989245 /nfs/dbraw/zinc/98/92/45/313989245.db2.gz FCUUXGISWFPRIC-IRXDYDNUSA-N 1 0 319.470 3.075 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H]2CC=CCC2)c(C)c1 ZINC000541320239 314007704 /nfs/dbraw/zinc/00/77/04/314007704.db2.gz IFAWIWHCFNFEMH-MSOLQXFVSA-N 1 0 303.446 3.331 10 0 DGAERO CCCC[N@H+](C)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC000541423580 314014196 /nfs/dbraw/zinc/01/41/96/314014196.db2.gz UKOBLLJYFVCFCY-UHFFFAOYSA-N 1 0 300.402 3.408 10 0 DGAERO Cc1ccc([C@@H](NC(=O)N(C)CCC[NH+](C)C)C2CC2)cc1 ZINC000541786378 314038813 /nfs/dbraw/zinc/03/88/13/314038813.db2.gz NRENWGIUCKXVIP-QGZVFWFLSA-N 1 0 303.450 3.039 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000542318934 314068845 /nfs/dbraw/zinc/06/88/45/314068845.db2.gz BOWAPLQTKDBXTC-NXEZZACHSA-N 1 0 311.216 3.320 10 0 DGAERO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)C[C@H]2CC=CCC2)cc1 ZINC000542484824 314079400 /nfs/dbraw/zinc/07/94/00/314079400.db2.gz WKSCSOYNYFWLIY-CVEARBPZSA-N 1 0 317.429 3.415 10 0 DGAERO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000543351688 314128528 /nfs/dbraw/zinc/12/85/28/314128528.db2.gz YKFVGCXPZDRYPP-ZWKOTPCHSA-N 1 0 321.509 3.496 10 0 DGAERO CC[C@H]([NH2+]Cc1nc(-c2ccc(C)cc2)no1)[C@@H]1CCCO1 ZINC000543495558 314139412 /nfs/dbraw/zinc/13/94/12/314139412.db2.gz ZVEWJUBWJMYJNS-GJZGRUSLSA-N 1 0 301.390 3.092 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000544136256 314175477 /nfs/dbraw/zinc/17/54/77/314175477.db2.gz IKAOSJBDRXYRIF-HNNXBMFYSA-N 1 0 309.498 3.186 10 0 DGAERO CC[NH+](CC)CCN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000544580466 314200894 /nfs/dbraw/zinc/20/08/94/314200894.db2.gz WFWRKRPDXJQPOK-QGZVFWFLSA-N 1 0 320.868 3.094 10 0 DGAERO Cc1ccccc1[C@H](NC(=O)N(C)CCC[NH+](C)C)C1CC1 ZINC000544656331 314204294 /nfs/dbraw/zinc/20/42/94/314204294.db2.gz XIEIACJXFSZSOH-QGZVFWFLSA-N 1 0 303.450 3.039 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)NCc1c(Cl)cccc1Cl ZINC000544661617 314204952 /nfs/dbraw/zinc/20/49/52/314204952.db2.gz RWIUFGHJBQNOMP-UHFFFAOYSA-N 1 0 318.248 3.087 10 0 DGAERO C[C@]1(CO)CCC[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000544759485 314209712 /nfs/dbraw/zinc/20/97/12/314209712.db2.gz HHYVUSIIYMTGOB-CQSZACIVSA-N 1 0 304.217 3.219 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000545874768 314271941 /nfs/dbraw/zinc/27/19/41/314271941.db2.gz NXSSCKJXQUEZCH-UHFFFAOYSA-N 1 0 307.825 3.422 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000546567069 314311370 /nfs/dbraw/zinc/31/13/70/314311370.db2.gz VCRFIZCVYDMJOU-IRXDYDNUSA-N 1 0 315.461 3.130 10 0 DGAERO COCCC(C)(C)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000546932671 314336996 /nfs/dbraw/zinc/33/69/96/314336996.db2.gz YMICOJPLGFZJKO-QGZVFWFLSA-N 1 0 319.424 3.301 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000547273264 314352136 /nfs/dbraw/zinc/35/21/36/314352136.db2.gz ZSDNFWSCWVWPCH-UHFFFAOYSA-N 1 0 305.466 3.004 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CC(=O)NC2CCCCC2)C1(CC)CC ZINC000553439270 314644065 /nfs/dbraw/zinc/64/40/65/314644065.db2.gz VHSIALNNCZTUIY-HOTGVXAUSA-N 1 0 310.482 3.009 10 0 DGAERO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871294 315058786 /nfs/dbraw/zinc/05/87/86/315058786.db2.gz IBSDAJDZZNDLQC-JXFKEZNVSA-N 1 0 310.441 3.305 10 0 DGAERO Fc1ccc(Br)cc1C[NH2+]CCOCC1CCC1 ZINC000564647563 315188848 /nfs/dbraw/zinc/18/88/48/315188848.db2.gz LLUSYSGJMNBJMZ-UHFFFAOYSA-N 1 0 316.214 3.495 10 0 DGAERO c1ccc([C@H]2CCCC[C@@H]([NH2+]CCN3CCCOCC3)C2)cc1 ZINC000565390719 315257970 /nfs/dbraw/zinc/25/79/70/315257970.db2.gz NTYNAAXIDSBPSH-VQTJNVASSA-N 1 0 316.489 3.415 10 0 DGAERO c1nc([C@H](NC2CC([NH+]3CCCCC3)C2)C2CCCCC2)n[nH]1 ZINC000565398529 315258365 /nfs/dbraw/zinc/25/83/65/315258365.db2.gz NIDPDHQIQXSYJC-OFLPRAFFSA-N 1 0 317.481 3.033 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CCCCO3)CC23CC3)cc1 ZINC000566216108 315322562 /nfs/dbraw/zinc/32/25/62/315322562.db2.gz OIKLMEZAYNZOJY-MOPGFXCFSA-N 1 0 314.473 3.342 10 0 DGAERO c1ccc(CN2CCCO[C@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000566501200 315354053 /nfs/dbraw/zinc/35/40/53/315354053.db2.gz PHUQKPHVJRYBRW-MOPGFXCFSA-N 1 0 314.473 3.200 10 0 DGAERO CCCCc1oc2ccccc2c1C[N@H+](C)CCNC(C)=O ZINC000575768902 316061255 /nfs/dbraw/zinc/06/12/55/316061255.db2.gz VPHVNAXNEOWYPZ-UHFFFAOYSA-N 1 0 302.418 3.343 10 0 DGAERO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCOCC2CCC2)c1 ZINC000575965440 316079650 /nfs/dbraw/zinc/07/96/50/316079650.db2.gz SKZZBEZUDHSHOU-HNNXBMFYSA-N 1 0 304.434 3.118 10 0 DGAERO CC(=O)c1cc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])ccc1C ZINC000576291977 316115433 /nfs/dbraw/zinc/11/54/33/316115433.db2.gz YHZKZJJPDDAQTN-DOTOQJQBSA-N 1 0 302.418 3.434 10 0 DGAERO C[C@@H]1C[N@H+](C/C=C/c2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000180227144 323224667 /nfs/dbraw/zinc/22/46/67/323224667.db2.gz YRPIRTBEEXNABQ-LDRXLRCLSA-N 1 0 320.864 3.006 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(-c2cccs2)on1 ZINC000180828738 323239364 /nfs/dbraw/zinc/23/93/64/323239364.db2.gz CNYVFGYULHYFKK-LSDHHAIUSA-N 1 0 317.458 3.462 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181219876 323249650 /nfs/dbraw/zinc/24/96/50/323249650.db2.gz NBEAUKACXIOJDY-AWEZNQCLSA-N 1 0 317.408 3.301 10 0 DGAERO CCC[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc(F)cc1F ZINC000181675210 323264108 /nfs/dbraw/zinc/26/41/08/323264108.db2.gz WZSXKUOGQNWEOL-XHDPSFHLSA-N 1 0 319.417 3.076 10 0 DGAERO CCC1(CC)[C@H]([NH2+][C@@H](C)Cc2c(C)nn(C)c2C)C[C@@H]1OC ZINC000181819802 323270818 /nfs/dbraw/zinc/27/08/18/323270818.db2.gz IKUSTFYNAALZBM-VUCTXSBTSA-N 1 0 307.482 3.151 10 0 DGAERO Cc1[nH+]c2ccccc2c(N2CC[C@](O)(C(F)(F)F)C2)c1C ZINC000181919098 323274519 /nfs/dbraw/zinc/27/45/19/323274519.db2.gz CPNQFLKLSVWFFQ-OAHLLOKOSA-N 1 0 310.319 3.355 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CC(C)C)C2CC2)cc1F ZINC000182008459 323279895 /nfs/dbraw/zinc/27/98/95/323279895.db2.gz XZHZNSHSSZHFEK-CYBMUJFWSA-N 1 0 322.424 3.132 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C)Cc1ccccc1 ZINC000182058131 323282116 /nfs/dbraw/zinc/28/21/16/323282116.db2.gz HCTIDZDNBXFLFI-BBWFWOEESA-N 1 0 302.462 3.244 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182245541 323288468 /nfs/dbraw/zinc/28/84/68/323288468.db2.gz HKPLRSUFXBXSEP-HZPDHXFCSA-N 1 0 310.482 3.153 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@@H](C)Cn2ccnc2C)cc1 ZINC000182461914 323299471 /nfs/dbraw/zinc/29/94/71/323299471.db2.gz LDIBKYLMGJESAF-CABCVRRESA-N 1 0 301.434 3.230 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000182495389 323301811 /nfs/dbraw/zinc/30/18/11/323301811.db2.gz MZQVUFODXTVAGA-LBPRGKRZSA-N 1 0 323.824 3.006 10 0 DGAERO Cc1ccc(CCC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000183109929 323326070 /nfs/dbraw/zinc/32/60/70/323326070.db2.gz MZOJVBAZIRVWKX-KRWDZBQOSA-N 1 0 302.462 3.308 10 0 DGAERO C[NH+](C)C[C@H]1CCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000183114543 323326171 /nfs/dbraw/zinc/32/61/71/323326171.db2.gz UDTCPEHMTJDCMO-ROKHWSDSSA-N 1 0 320.399 3.155 10 0 DGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC000183133780 323326790 /nfs/dbraw/zinc/32/67/90/323326790.db2.gz WUNBPJXAXDFOOQ-GOSISDBHSA-N 1 0 312.413 3.199 10 0 DGAERO CN(C(=O)CC1CCC(C(F)(F)F)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000183138733 323327581 /nfs/dbraw/zinc/32/75/81/323327581.db2.gz DOKHMDBGQAMYKM-JXQTWKCFSA-N 1 0 320.399 3.298 10 0 DGAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCCSC2)[C@@H]1c1ccc(Cl)cc1 ZINC000183635196 323344087 /nfs/dbraw/zinc/34/40/87/323344087.db2.gz JXXTWEOCXAPEST-YCPHGPKFSA-N 1 0 324.877 3.097 10 0 DGAERO CC(C)[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1ccccc1Cl ZINC000183700843 323345273 /nfs/dbraw/zinc/34/52/73/323345273.db2.gz UQGLVTODLQHQHT-IUODEOHRSA-N 1 0 317.882 3.307 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000185324243 323387353 /nfs/dbraw/zinc/38/73/53/323387353.db2.gz QXSWVIACPMKPDE-AWEZNQCLSA-N 1 0 319.367 3.467 10 0 DGAERO COC[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1Br ZINC000188125033 323422097 /nfs/dbraw/zinc/42/20/97/323422097.db2.gz MWCGLDDYLOPGFI-RYUDHWBXSA-N 1 0 300.240 3.252 10 0 DGAERO COC[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000188148927 323422296 /nfs/dbraw/zinc/42/22/96/323422296.db2.gz VAMIQAWYISJRRK-QWRGUYRKSA-N 1 0 318.230 3.391 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000188157530 323423993 /nfs/dbraw/zinc/42/39/93/323423993.db2.gz ORPYJQCDWQFNQY-GFCCVEGCSA-N 1 0 305.340 3.138 10 0 DGAERO COC[C@H](C)C[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000188570235 323427852 /nfs/dbraw/zinc/42/78/52/323427852.db2.gz YHDRRCBNPTWLJG-OLZOCXBDSA-N 1 0 316.367 3.156 10 0 DGAERO c1[nH+]cn2ccc(-c3noc([C@@H]4COc5ccccc5C4)n3)cc12 ZINC000351089811 323542810 /nfs/dbraw/zinc/54/28/10/323542810.db2.gz OPZPDTIHYAGBSQ-AWEZNQCLSA-N 1 0 318.336 3.103 10 0 DGAERO CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)O[C@H](C)C2 ZINC000384543442 323628750 /nfs/dbraw/zinc/62/87/50/323628750.db2.gz FGVVCLIVJYGYLE-OQMKEHIESA-N 1 0 305.418 3.064 10 0 DGAERO COC[C@H]([NH2+]Cc1c(F)cccc1Br)C(C)C ZINC000394913696 323676650 /nfs/dbraw/zinc/67/66/50/323676650.db2.gz JHTNDELFIBZCDJ-ZDUSSCGKSA-N 1 0 304.203 3.349 10 0 DGAERO c1ccc2c(c1)CC[C@H](C[N@@H+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC000584487625 337349691 /nfs/dbraw/zinc/34/96/91/337349691.db2.gz MBOSBZIJNHUKLX-OXJNMPFZSA-N 1 0 308.425 3.340 10 0 DGAERO [NH3+][C@@H]1CCc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C1 ZINC000584626236 337376049 /nfs/dbraw/zinc/37/60/49/337376049.db2.gz VLVYKDADOVQHLC-OAHLLOKOSA-N 1 0 300.789 3.408 10 0 DGAERO CCOC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000584633678 337377647 /nfs/dbraw/zinc/37/76/47/337377647.db2.gz FYANYRMHEAYEFA-HXUWFJFHSA-N 1 0 309.409 3.393 10 0 DGAERO FC(F)(F)c1nccc(Nc2ccc(C=C3C[NH2+]C3)cc2)n1 ZINC000584637447 337379486 /nfs/dbraw/zinc/37/94/86/337379486.db2.gz YHIGKDMFVPQVHM-UHFFFAOYSA-N 1 0 306.291 3.226 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](CNc2ncc(Br)cc2Cl)C1 ZINC000227674683 1176506269 /nfs/dbraw/zinc/50/62/69/1176506269.db2.gz CFVGKTKTFRKSCT-PSASIEDQSA-N 1 0 318.646 3.427 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)s1 ZINC000177930502 501000264 /nfs/dbraw/zinc/00/02/64/501000264.db2.gz ZLUODJXLOQFTOI-GXSJLCMTSA-N 1 0 306.479 3.392 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000148325700 533776441 /nfs/dbraw/zinc/77/64/41/533776441.db2.gz KYSSMISDTDOSNO-LXZKKBNFSA-N 1 0 307.459 3.401 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000176005078 533893975 /nfs/dbraw/zinc/89/39/75/533893975.db2.gz XCLHCRGRHHSWRK-GDBMZVCRSA-N 1 0 318.461 3.419 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2(C)C)CCN1Cc1ccccc1 ZINC000294678405 533961977 /nfs/dbraw/zinc/96/19/77/533961977.db2.gz IAAQYAKIMFBRNJ-KBAYOESNSA-N 1 0 302.462 3.197 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000309840732 533991684 /nfs/dbraw/zinc/99/16/84/533991684.db2.gz CZLKHAVPTFREGZ-KPXOXKRLSA-N 1 0 301.253 3.389 10 0 DGAERO Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc[nH+]1 ZINC000302350307 533997083 /nfs/dbraw/zinc/99/70/83/533997083.db2.gz YFONOJGBDBUQEK-GASCZTMLSA-N 1 0 312.417 3.011 10 0 DGAERO COc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccncc1OC ZINC000188785614 534102514 /nfs/dbraw/zinc/10/25/14/534102514.db2.gz JMQGPEFCXHZULI-ZIAGYGMSSA-N 1 0 300.402 3.381 10 0 DGAERO C[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000174322746 534121202 /nfs/dbraw/zinc/12/12/02/534121202.db2.gz LFOFHXVLCWLJCR-QLJPJBMISA-N 1 0 322.330 3.024 10 0 DGAERO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328733287 534152584 /nfs/dbraw/zinc/15/25/84/534152584.db2.gz JMYYKCUZKXRRAN-WOOFSFRISA-N 1 0 319.449 3.270 10 0 DGAERO CC(C)=C(F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000154369018 519391005 /nfs/dbraw/zinc/39/10/05/519391005.db2.gz NORPTEKQJQEBMK-HOCLYGCPSA-N 1 0 304.409 3.419 10 0 DGAERO CC(C)c1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2cccnc2)n1 ZINC000070456290 519833506 /nfs/dbraw/zinc/83/35/06/519833506.db2.gz ROCQAQLBASHCEA-AWEZNQCLSA-N 1 0 311.433 3.074 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([C@@H](C)OC)c2)C1 ZINC000103291954 519863758 /nfs/dbraw/zinc/86/37/58/519863758.db2.gz IFIVOEFGXZHIQR-HUUCEWRRSA-N 1 0 319.449 3.247 10 0 DGAERO Oc1ccccc1CC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443965166 534456753 /nfs/dbraw/zinc/45/67/53/534456753.db2.gz MEKKJULUDXPULL-UHFFFAOYSA-N 1 0 302.321 3.200 10 0 DGAERO c1ccc([C@H]([NH2+]CCN2CCc3ccccc32)[C@H]2CCOC2)cc1 ZINC000428324507 534501039 /nfs/dbraw/zinc/50/10/39/534501039.db2.gz LBSATBFDJLQBPC-FPOVZHCZSA-N 1 0 322.452 3.417 10 0 DGAERO CC[NH+](CC)CCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000157639748 520661996 /nfs/dbraw/zinc/66/19/96/520661996.db2.gz BZLRRHFMYZJKEC-HNNXBMFYSA-N 1 0 301.434 3.349 10 0 DGAERO CC[NH+](CC)CCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000157639887 520663479 /nfs/dbraw/zinc/66/34/79/520663479.db2.gz BZLRRHFMYZJKEC-OAHLLOKOSA-N 1 0 301.434 3.349 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2F)[C@H](C)C1 ZINC000156312942 521718714 /nfs/dbraw/zinc/71/87/14/521718714.db2.gz XUTVXEIBYHIPGQ-RISCZKNCSA-N 1 0 312.816 3.281 10 0 DGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCOCc2ccccc2)c1C ZINC000156976590 523658799 /nfs/dbraw/zinc/65/87/99/523658799.db2.gz KCQPZQYPKAZKHZ-CQSZACIVSA-N 1 0 301.434 3.387 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000163406063 523830019 /nfs/dbraw/zinc/83/00/19/523830019.db2.gz BFTXYZOZJXBYLM-SJLPKXTDSA-N 1 0 320.477 3.235 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000163317840 523834143 /nfs/dbraw/zinc/83/41/43/523834143.db2.gz AKFBHLHABQHOOK-JSGCOSHPSA-N 1 0 314.832 3.241 10 0 DGAERO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000156106815 524139990 /nfs/dbraw/zinc/13/99/90/524139990.db2.gz YLFXUCPYRLYMLN-MAUKXSAKSA-N 1 0 324.424 3.390 10 0 DGAERO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000158972514 524269092 /nfs/dbraw/zinc/26/90/92/524269092.db2.gz ASUMALDKGLCSNK-HZPDHXFCSA-N 1 0 309.417 3.198 10 0 DGAERO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CCO1 ZINC000328648980 534815120 /nfs/dbraw/zinc/81/51/20/534815120.db2.gz UVIPGKOXCNNBEM-CUSZFKRNSA-N 1 0 303.450 3.199 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000156202498 525304222 /nfs/dbraw/zinc/30/42/22/525304222.db2.gz PFIPGPWKFRWHES-UPJWGTAASA-N 1 0 310.388 3.405 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)s1 ZINC000157183402 525509879 /nfs/dbraw/zinc/50/98/79/525509879.db2.gz AXAPFBYNFTVSHC-DETPVDSQSA-N 1 0 323.506 3.454 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000157595986 525904783 /nfs/dbraw/zinc/90/47/83/525904783.db2.gz DVAWSIDJVGHCCS-ZOBUZTSGSA-N 1 0 303.450 3.084 10 0 DGAERO CO[C@@H](C[NH2+]Cc1sc(C)cc1Br)C1CC1 ZINC000453593633 536510181 /nfs/dbraw/zinc/51/01/81/536510181.db2.gz JYCGSHKBJZPODM-NSHDSACASA-N 1 0 304.253 3.334 10 0 DGAERO [NH3+]CC1(NC(=O)c2cccc(OCc3ccccc3)c2)CCCC1 ZINC000237791358 527165274 /nfs/dbraw/zinc/16/52/74/527165274.db2.gz KCRAIYHLDRYYLP-UHFFFAOYSA-N 1 0 324.424 3.267 10 0 DGAERO CC(=O)c1cccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000295804630 527355383 /nfs/dbraw/zinc/35/53/83/527355383.db2.gz WHCGCORUHVERHZ-UHFFFAOYSA-N 1 0 301.430 3.406 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000433007543 527400918 /nfs/dbraw/zinc/40/09/18/527400918.db2.gz VKDRRSRCOCRABS-GJVKMHQDSA-N 1 0 314.429 3.385 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441206637 527402681 /nfs/dbraw/zinc/40/26/81/527402681.db2.gz XGZXDTFECQOSHO-SJORKVTESA-N 1 0 317.429 3.017 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000302579044 527616530 /nfs/dbraw/zinc/61/65/30/527616530.db2.gz DPINDZUAIKNQLI-GXFFZTMASA-N 1 0 316.214 3.229 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000328460464 527811416 /nfs/dbraw/zinc/81/14/16/527811416.db2.gz UHXAPAYBNRDCRP-GFCCVEGCSA-N 1 0 302.187 3.245 10 0 DGAERO CC1(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCC1 ZINC000177347078 527957689 /nfs/dbraw/zinc/95/76/89/527957689.db2.gz NHYVKECEBUGKIG-HNNXBMFYSA-N 1 0 319.449 3.296 10 0 DGAERO CC1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000177354933 527958162 /nfs/dbraw/zinc/95/81/62/527958162.db2.gz YVDUUPOAXZTDPE-AWEZNQCLSA-N 1 0 321.490 3.374 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCCCC2)cc1 ZINC000178022361 528161569 /nfs/dbraw/zinc/16/15/69/528161569.db2.gz CORFDBKOLNWJSE-MRXNPFEDSA-N 1 0 318.461 3.385 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434575855 528220784 /nfs/dbraw/zinc/22/07/84/528220784.db2.gz PIBVDSIWLKPHQX-CGTJXYLNSA-N 1 0 300.446 3.265 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000435138984 528223544 /nfs/dbraw/zinc/22/35/44/528223544.db2.gz LYTWQXKGJUKRBH-RVKKMQEKSA-N 1 0 318.436 3.452 10 0 DGAERO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC3(C)CCC3)C2)CC1 ZINC000175003577 528254023 /nfs/dbraw/zinc/25/40/23/528254023.db2.gz VRNSINDLBREOMZ-QGZVFWFLSA-N 1 0 321.509 3.330 10 0 DGAERO CC(C)Oc1nccnc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000302228766 528288528 /nfs/dbraw/zinc/28/85/28/528288528.db2.gz QZZDQAAUHJPFCP-UHFFFAOYSA-N 1 0 318.465 3.330 10 0 DGAERO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434988211 528622147 /nfs/dbraw/zinc/62/21/47/528622147.db2.gz YXCMPPMCZUHZFT-KRWDZBQOSA-N 1 0 303.406 3.043 10 0 DGAERO CCOCC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(CC)o1 ZINC000444651045 528870245 /nfs/dbraw/zinc/87/02/45/528870245.db2.gz FIZSUTOQJFSENQ-ZOBUZTSGSA-N 1 0 309.450 3.403 10 0 DGAERO CCSCC[C@H](C)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000132300305 529195351 /nfs/dbraw/zinc/19/53/51/529195351.db2.gz GKWWJPPEASVXGM-FUHWJXTLSA-N 1 0 306.519 3.425 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000449578485 534954096 /nfs/dbraw/zinc/95/40/96/534954096.db2.gz MXGFSSSLORCSTM-SJORKVTESA-N 1 0 319.445 3.283 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451311114 535066256 /nfs/dbraw/zinc/06/62/56/535066256.db2.gz SECGWVREZPIVPW-KGLIPLIRSA-N 1 0 319.367 3.126 10 0 DGAERO CC(C)[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)C(F)(F)F ZINC000468430789 535094312 /nfs/dbraw/zinc/09/43/12/535094312.db2.gz SPOPPELCEROBFD-LBPRGKRZSA-N 1 0 323.403 3.137 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NCC2(CC)CCCC2)CC1 ZINC000472625313 535447874 /nfs/dbraw/zinc/44/78/74/535447874.db2.gz ACNSTJRRAPNPGA-UHFFFAOYSA-N 1 0 309.498 3.378 10 0 DGAERO CCn1nnc(C)c1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000449081590 535918436 /nfs/dbraw/zinc/91/84/36/535918436.db2.gz GNEFLTWOMWKMJV-SNVBAGLBSA-N 1 0 310.348 3.059 10 0 DGAERO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)C2(OC)CCOCC2)cc1 ZINC000453176726 536496600 /nfs/dbraw/zinc/49/66/00/536496600.db2.gz MWAFESYWZYTIEW-CVEARBPZSA-N 1 0 321.461 3.048 10 0 DGAERO COC1(C[NH2+]Cc2nc(C)c(Br)s2)CCCC1 ZINC000449399953 536682000 /nfs/dbraw/zinc/68/20/00/536682000.db2.gz FYOKCBLMHXRKPB-UHFFFAOYSA-N 1 0 319.268 3.263 10 0 DGAERO COC1([C@@H](C)[NH2+]CC(C)(C)Cc2ccccc2)CCOCC1 ZINC000453145033 536706592 /nfs/dbraw/zinc/70/65/92/536706592.db2.gz NCVBNEQKHLPVLM-MRXNPFEDSA-N 1 0 305.462 3.429 10 0 DGAERO Cc1ccc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000029788218 545665660 /nfs/dbraw/zinc/66/56/60/545665660.db2.gz JELNOJLWAFTCHA-UHFFFAOYSA-N 1 0 302.462 3.353 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(F)c(Br)c1 ZINC000040673080 545676900 /nfs/dbraw/zinc/67/69/00/545676900.db2.gz HJTXQHLSVIPXQO-ZYHUDNBSSA-N 1 0 315.230 3.333 10 0 DGAERO Cc1cccc(CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000053759761 545697863 /nfs/dbraw/zinc/69/78/63/545697863.db2.gz WBVKRTJUCGEPTN-IBGZPJMESA-N 1 0 310.441 3.347 10 0 DGAERO Brc1ccc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000054301375 545698497 /nfs/dbraw/zinc/69/84/97/545698497.db2.gz HHRXWZILJFWTGY-SNVBAGLBSA-N 1 0 322.206 3.041 10 0 DGAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000079515160 545758156 /nfs/dbraw/zinc/75/81/56/545758156.db2.gz JMZWVSVTFIQWCE-QMTHXVAHSA-N 1 0 300.324 3.025 10 0 DGAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000079519520 545758398 /nfs/dbraw/zinc/75/83/98/545758398.db2.gz REGDKTPRUIVTDO-LKFCYVNXSA-N 1 0 301.217 3.313 10 0 DGAERO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000086595742 545802498 /nfs/dbraw/zinc/80/24/98/545802498.db2.gz ILZIBFYRQLAMHN-ZBFHGGJFSA-N 1 0 308.853 3.313 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455275 545815036 /nfs/dbraw/zinc/81/50/36/545815036.db2.gz FOWIVJMAVJBUCA-NEPJUHHUSA-N 1 0 315.244 3.327 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000089449908 545815077 /nfs/dbraw/zinc/81/50/77/545815077.db2.gz LXJRVINRINMVHP-AAEUAGOBSA-N 1 0 315.244 3.027 10 0 DGAERO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000089746508 545819355 /nfs/dbraw/zinc/81/93/55/545819355.db2.gz CPBZUHDMRUMATD-UWVGGRQHSA-N 1 0 301.217 3.170 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000091338335 545835001 /nfs/dbraw/zinc/83/50/01/545835001.db2.gz YYUMMXRRPZUZRH-UONOGXRCSA-N 1 0 312.251 3.433 10 0 DGAERO C[C@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)N1CCOCC1 ZINC000093371647 545855973 /nfs/dbraw/zinc/85/59/73/545855973.db2.gz GYQHITLMKYOAJQ-RHSMWYFYSA-N 1 0 308.491 3.290 10 0 DGAERO [NH3+][C@H]1CC[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000097067802 545864128 /nfs/dbraw/zinc/86/41/28/545864128.db2.gz IZJCOHNGKCHZBV-ONGXEEELSA-N 1 0 308.179 3.094 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000097067804 545864655 /nfs/dbraw/zinc/86/46/55/545864655.db2.gz IZJCOHNGKCHZBV-MWLCHTKSSA-N 1 0 308.179 3.094 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000119466332 545878442 /nfs/dbraw/zinc/87/84/42/545878442.db2.gz BNMDSGXHMNONFF-XFXZXTDPSA-N 1 0 315.866 3.156 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000126834818 545925132 /nfs/dbraw/zinc/92/51/32/545925132.db2.gz OYXOXPSVZLXRHH-CRAIPNDOSA-N 1 0 302.462 3.151 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(C)cc2F)[C@H](C)C1 ZINC000132040805 545961015 /nfs/dbraw/zinc/96/10/15/545961015.db2.gz LGRPLTDBTDUTSH-MLGOLLRUSA-N 1 0 310.388 3.076 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1cccc2[nH]ccc21)c1ccccc1 ZINC000132493553 545963745 /nfs/dbraw/zinc/96/37/45/545963745.db2.gz ACLKWRSFQTYPAQ-SFHVURJKSA-N 1 0 307.397 3.201 10 0 DGAERO Cc1cc(F)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000133007585 545966313 /nfs/dbraw/zinc/96/63/13/545966313.db2.gz OINBKFLGLWZZOP-UHFFFAOYSA-N 1 0 322.399 3.221 10 0 DGAERO CN1CCC[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137076678 545983261 /nfs/dbraw/zinc/98/32/61/545983261.db2.gz HGYKRTUILRAZFJ-NSHDSACASA-N 1 0 317.658 3.286 10 0 DGAERO Clc1ccccc1OCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152332810 546002400 /nfs/dbraw/zinc/00/24/00/546002400.db2.gz CYKUBWIFBMTVCM-OAHLLOKOSA-N 1 0 318.804 3.267 10 0 DGAERO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000154314024 546017156 /nfs/dbraw/zinc/01/71/56/546017156.db2.gz RCSLNUQZJHIYLX-AWEZNQCLSA-N 1 0 324.428 3.072 10 0 DGAERO CC[C@@H](C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1)[NH+](C)C ZINC000156735012 546035913 /nfs/dbraw/zinc/03/59/13/546035913.db2.gz BYQLRKPYHGIKEL-PBHICJAKSA-N 1 0 306.450 3.239 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000163834497 546084329 /nfs/dbraw/zinc/08/43/29/546084329.db2.gz ULEQAWFJICKLEA-UXHICEINSA-N 1 0 312.457 3.137 10 0 DGAERO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000165904697 546092825 /nfs/dbraw/zinc/09/28/25/546092825.db2.gz STWAYSRCCSKWQZ-SNVBAGLBSA-N 1 0 323.234 3.246 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)cc1F ZINC000176274022 546115757 /nfs/dbraw/zinc/11/57/57/546115757.db2.gz BELDHNAFHFNMQW-GJZGRUSLSA-N 1 0 314.404 3.490 10 0 DGAERO COc1ccccc1N1CCC([NH2+][C@H](C)c2c[nH]nc2C)CC1 ZINC000180336746 546144809 /nfs/dbraw/zinc/14/48/09/546144809.db2.gz BRBQWJHWTYWHKS-CYBMUJFWSA-N 1 0 314.433 3.046 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000181036615 546151141 /nfs/dbraw/zinc/15/11/41/546151141.db2.gz YXZVYBDVWPQNCM-PZDALLCQSA-N 1 0 320.387 3.092 10 0 DGAERO CCCCNC(=O)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000181394381 546157157 /nfs/dbraw/zinc/15/71/57/546157157.db2.gz DCVDKVPPDRGZSV-HNNXBMFYSA-N 1 0 306.450 3.288 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1cccs1 ZINC000182560948 546165910 /nfs/dbraw/zinc/16/59/10/546165910.db2.gz HHJBCTUHSAFIGN-SOUVJXGZSA-N 1 0 324.490 3.110 10 0 DGAERO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)C1 ZINC000182933502 546169408 /nfs/dbraw/zinc/16/94/08/546169408.db2.gz RYXVNUDUTAPAAS-IAGOWNOFSA-N 1 0 320.481 3.102 10 0 DGAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000183005438 546170167 /nfs/dbraw/zinc/17/01/67/546170167.db2.gz YQXWEJFQIUQRMP-JTQLQIEISA-N 1 0 309.884 3.265 10 0 DGAERO COc1ccc(-c2cnc(C[NH2+][C@@H](C)[C@@H]3CCCO3)o2)cc1 ZINC000183122805 546171893 /nfs/dbraw/zinc/17/18/93/546171893.db2.gz MSFYZYOJJYOHGJ-WFASDCNBSA-N 1 0 302.374 3.007 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183192045 546173262 /nfs/dbraw/zinc/17/32/62/546173262.db2.gz NRSRTGDABZGFGT-CVEARBPZSA-N 1 0 304.434 3.179 10 0 DGAERO C[N@H+](CCCc1ccc(C(F)(F)F)cc1)CC1(CO)CC1 ZINC000186822121 546197715 /nfs/dbraw/zinc/19/77/15/546197715.db2.gz ZBTPYKOVMZACSG-UHFFFAOYSA-N 1 0 301.352 3.342 10 0 DGAERO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2C)cnn1C ZINC000192180842 546229005 /nfs/dbraw/zinc/22/90/05/546229005.db2.gz VHYKYFMEMOUSOR-AWEZNQCLSA-N 1 0 309.417 3.073 10 0 DGAERO c1coc(-c2ncc(C[N@H+]3CCC[C@H]3Cn3ccnc3)s2)c1 ZINC000194482394 546248083 /nfs/dbraw/zinc/24/80/83/546248083.db2.gz JJWGNPJVJQTEGZ-ZDUSSCGKSA-N 1 0 314.414 3.264 10 0 DGAERO Cc1c(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)ccn1C ZINC000195225166 546253423 /nfs/dbraw/zinc/25/34/23/546253423.db2.gz QDEMPGPDMCGNIT-CQSZACIVSA-N 1 0 313.445 3.193 10 0 DGAERO Cc1c(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)ccn1C ZINC000195254103 546253901 /nfs/dbraw/zinc/25/39/01/546253901.db2.gz OPIACLWNGHEQAV-UHFFFAOYSA-N 1 0 313.445 3.104 10 0 DGAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2CC)C12CCCC2 ZINC000245856430 546300282 /nfs/dbraw/zinc/30/02/82/546300282.db2.gz NNYPVYAGHFKZSH-DLBZAZTESA-N 1 0 305.466 3.152 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc([S@](C)=O)cc1 ZINC000247092871 546308585 /nfs/dbraw/zinc/30/85/85/546308585.db2.gz OCSOHZDTHALDKS-KJVVTGMDSA-N 1 0 320.502 3.090 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1OC ZINC000255302514 546335186 /nfs/dbraw/zinc/33/51/86/546335186.db2.gz YRDAYZZGFDVIHR-SDMNGIDPSA-N 1 0 316.445 3.041 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000261773357 546338552 /nfs/dbraw/zinc/33/85/52/546338552.db2.gz OPWMEIPMXUGEKR-FJIDUMEYSA-N 1 0 300.446 3.347 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(OCc2ccccc2)cc1 ZINC000301375681 546435876 /nfs/dbraw/zinc/43/58/76/546435876.db2.gz DKNSTJVYTXRKNI-YJBOKZPZSA-N 1 0 324.424 3.195 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2cscc2Br)C1 ZINC000304608964 546440926 /nfs/dbraw/zinc/44/09/26/546440926.db2.gz NJQNZKLGIUYWSW-GXSJLCMTSA-N 1 0 304.253 3.151 10 0 DGAERO Cc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c(C)c1 ZINC000329642921 546489295 /nfs/dbraw/zinc/48/92/95/546489295.db2.gz AGJAIMSYDQIIJR-MAUKXSAKSA-N 1 0 313.401 3.279 10 0 DGAERO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccsc1Br ZINC000381491736 546740849 /nfs/dbraw/zinc/74/08/49/546740849.db2.gz YDTNJJKNYNHMJR-UWVGGRQHSA-N 1 0 304.253 3.415 10 0 DGAERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000383516954 546742397 /nfs/dbraw/zinc/74/23/97/546742397.db2.gz HQDZYXJYZSUIKV-VAMGGRTRSA-N 1 0 320.436 3.327 10 0 DGAERO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@@H+]1CCOCc1ccccc1 ZINC000390777980 546755473 /nfs/dbraw/zinc/75/54/73/546755473.db2.gz OTCRVOMJILFPCJ-IPMKNSEASA-N 1 0 303.446 3.219 10 0 DGAERO C[C@H]1[NH2+]CCC[C@@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000395261943 546761482 /nfs/dbraw/zinc/76/14/82/546761482.db2.gz RGURFYRCZVJVNN-SKDRFNHKSA-N 1 0 322.206 3.355 10 0 DGAERO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC1([NH3+])CC1 ZINC000398156738 546763092 /nfs/dbraw/zinc/76/30/92/546763092.db2.gz GRBWHYPTZUZUDJ-VIFPVBQESA-N 1 0 301.217 3.394 10 0 DGAERO Clc1ccc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)cc1Cl ZINC000404627103 546767452 /nfs/dbraw/zinc/76/74/52/546767452.db2.gz SCWHSKWJOYWEKA-NSHDSACASA-N 1 0 311.216 3.100 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)nc2C)C12CCOCC2 ZINC000681139507 549167147 /nfs/dbraw/zinc/16/71/47/549167147.db2.gz WBUALCFBTWKHGA-CGTJXYLNSA-N 1 0 318.461 3.323 10 0 DGAERO Brc1cccc(-c2cnnn2[C@H]2CCC[NH2+]CC2)c1 ZINC000725266173 549811894 /nfs/dbraw/zinc/81/18/94/549811894.db2.gz UCFLPKQEHBYLIN-ZDUSSCGKSA-N 1 0 321.222 3.022 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712501108 563316414 /nfs/dbraw/zinc/31/64/14/563316414.db2.gz NOKBYQOHXQGHML-INIZCTEOSA-N 1 0 308.447 3.120 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712513955 563318886 /nfs/dbraw/zinc/31/88/86/563318886.db2.gz AUOHRYXTKJEIKV-YVEFUNNKSA-N 1 0 322.474 3.366 10 0 DGAERO C[C@H](C(=O)Nc1ccc2c(c1)CCCN2C)[NH+]1[C@H](C)CC[C@H]1C ZINC000731838223 574560072 /nfs/dbraw/zinc/56/00/72/574560072.db2.gz VZSPZHOWSSPVCT-RBSFLKMASA-N 1 0 315.461 3.269 10 0 DGAERO CN1CC[C@H]([NH3+])C[C@@H]1c1ccc(Br)c(Cl)c1 ZINC000675053126 563856385 /nfs/dbraw/zinc/85/63/85/563856385.db2.gz GFWOGRRHCBQUOE-JOYOIKCWSA-N 1 0 303.631 3.197 10 0 DGAERO C/C(=C\C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Cl ZINC000732034675 574565151 /nfs/dbraw/zinc/56/51/51/574565151.db2.gz GBJDHSABBNAPPK-FQNOHDAGSA-N 1 0 318.848 3.438 10 0 DGAERO C/C(=C\C(=O)NCC[NH+](C(C)C)C(C)C)c1cccc(F)c1 ZINC000732052380 574565608 /nfs/dbraw/zinc/56/56/08/574565608.db2.gz LLRRWIOXIJFJTL-RVDMUPIBSA-N 1 0 306.425 3.464 10 0 DGAERO C/C(=C/C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000732085665 574566217 /nfs/dbraw/zinc/56/62/17/574566217.db2.gz NHVQSUUZRMUREF-NZHZHZHDSA-N 1 0 316.420 3.316 10 0 DGAERO CCN(Cc1ncc(C(C)C)o1)C[C@@H]1COc2ccccc2O1 ZINC000733303748 574612514 /nfs/dbraw/zinc/61/25/14/574612514.db2.gz FPDOOBJWMALFGL-CQSZACIVSA-N 1 0 316.401 3.460 10 0 DGAERO C[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C)[NH+]1CCCCCC1 ZINC000733925589 574645082 /nfs/dbraw/zinc/64/50/82/574645082.db2.gz OIBVYRJTDLTJIY-HNNXBMFYSA-N 1 0 315.461 3.272 10 0 DGAERO CC(=O)c1ccc(NC(=S)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000741493327 574959692 /nfs/dbraw/zinc/95/96/92/574959692.db2.gz SFHVIWUMIQEQHP-WBMJQRKESA-N 1 0 319.474 3.001 10 0 DGAERO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)[NH2+]CCc1sccc12 ZINC000709175998 575943987 /nfs/dbraw/zinc/94/39/87/575943987.db2.gz IIYRFJDMFCQBDL-PXAZEXFGSA-N 1 0 322.474 3.366 10 0 DGAERO OCC1([NH2+]Cc2c(F)cccc2Br)CCCCC1 ZINC000394949072 575947198 /nfs/dbraw/zinc/94/71/98/575947198.db2.gz YXJYJMOHGAGXPS-UHFFFAOYSA-N 1 0 316.214 3.373 10 0 DGAERO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](C)CC2)C1 ZINC000728199072 576168618 /nfs/dbraw/zinc/16/86/18/576168618.db2.gz RZEZTNAYLYWXFP-NVXWUHKLSA-N 1 0 300.446 3.390 10 0 DGAERO CC[C@@H](C)NC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728446546 576183163 /nfs/dbraw/zinc/18/31/63/576183163.db2.gz UQNOPASTPKRYIB-CVEARBPZSA-N 1 0 311.539 3.247 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000111256592 620689472 /nfs/dbraw/zinc/68/94/72/620689472.db2.gz QYMHBBPBXFDSGL-PSASIEDQSA-N 1 0 312.200 3.290 10 0 DGAERO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)C(F)(F)F ZINC000154764197 620716296 /nfs/dbraw/zinc/71/62/96/620716296.db2.gz WLGIVJHICVGEKE-UHFFFAOYSA-N 1 0 318.339 3.093 10 0 DGAERO Cc1cc(C[C@H]([NH3+])[C@@H](C)NC(=O)OC(C)(C)C)ccc1Cl ZINC000757147279 617653657 /nfs/dbraw/zinc/65/36/57/617653657.db2.gz SZTIPXWTPDFKDG-RISCZKNCSA-N 1 0 312.841 3.431 10 0 DGAERO Cc1cc(C[NH2+]CC(=O)NCc2ccccc2)ccc1Cl ZINC000757153983 617658269 /nfs/dbraw/zinc/65/82/69/617658269.db2.gz SYJPCTSFACCMOK-UHFFFAOYSA-N 1 0 302.805 3.054 10 0 DGAERO C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000151358431 618474243 /nfs/dbraw/zinc/47/42/43/618474243.db2.gz OESUCEMQVZYOEQ-CPFSXVBKSA-N 1 0 323.170 3.011 10 0 DGAERO C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000150718254 620383942 /nfs/dbraw/zinc/38/39/42/620383942.db2.gz SZWYCEYLTCBKSD-KUHUBIRLSA-N 1 0 312.388 3.232 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)Cn1ccc(C(F)(F)F)n1 ZINC000151548057 620458828 /nfs/dbraw/zinc/45/88/28/620458828.db2.gz XSVYYLLYCLYWRD-UHFFFAOYSA-N 1 0 318.368 3.269 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)ccc1F ZINC000153113506 620533693 /nfs/dbraw/zinc/53/36/93/620533693.db2.gz ORQPJCKKZXFICR-MLGOLLRUSA-N 1 0 319.376 3.227 10 0 DGAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154371569 621046966 /nfs/dbraw/zinc/04/69/66/621046966.db2.gz HJAOPPLHYNAYKI-AWEZNQCLSA-N 1 0 311.491 3.460 10 0 DGAERO CS[C@H](C)C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000103336566 621342242 /nfs/dbraw/zinc/34/22/42/621342242.db2.gz RGFLTDJOPHGFAP-CQSZACIVSA-N 1 0 323.458 3.208 10 0 DGAERO CCCCO[C@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117093114 621351617 /nfs/dbraw/zinc/35/16/17/621351617.db2.gz SVWYCHYTEIFFQP-NVXWUHKLSA-N 1 0 305.418 3.009 10 0 DGAERO O=C(Cc1cccs1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117094901 621351815 /nfs/dbraw/zinc/35/18/15/621351815.db2.gz LSEZTUGOJVBSPC-OAHLLOKOSA-N 1 0 301.411 3.108 10 0 DGAERO COc1ccccc1CC[N@H+](C)Cn1cnc(-c2ccccc2)n1 ZINC000117863781 621461328 /nfs/dbraw/zinc/46/13/28/621461328.db2.gz JLCOAPOEEGHKNT-UHFFFAOYSA-N 1 0 322.412 3.086 10 0 DGAERO COc1cc(C[NH2+]CCC2CCC2)cc(Br)c1O ZINC000123011662 622446021 /nfs/dbraw/zinc/44/60/21/622446021.db2.gz CHWVDGQENMRXIW-UHFFFAOYSA-N 1 0 314.223 3.443 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)ccc1OC ZINC000123115882 622465126 /nfs/dbraw/zinc/46/51/26/622465126.db2.gz XLJGURDWNSJBRJ-MAUKXSAKSA-N 1 0 322.493 3.469 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)/C=C\c1cccc(F)c1)c1ccccc1 ZINC000208863278 622583133 /nfs/dbraw/zinc/58/31/33/622583133.db2.gz SFFVAHQWHMEAEO-YUIUBULTSA-N 1 0 312.388 3.258 10 0 DGAERO C[N@@H+](Cc1cc(Cl)nc2ccccc12)C[C@@H]1CCC[C@@H]1O ZINC000129426902 625625841 /nfs/dbraw/zinc/62/58/41/625625841.db2.gz NBEDORJMRYSLOK-LRDDRELGSA-N 1 0 304.821 3.481 10 0 DGAERO COCC[N@@H+](Cc1ccc(C)o1)C[C@H](O)c1ccccc1Cl ZINC000125432686 623452364 /nfs/dbraw/zinc/45/23/64/623452364.db2.gz LOHKRZLVMQADNW-KRWDZBQOSA-N 1 0 323.820 3.423 10 0 DGAERO COCc1cc([C@@H](C)[NH2+]Cc2cccc(C)n2)ccc1OC ZINC000125522344 623478620 /nfs/dbraw/zinc/47/86/20/623478620.db2.gz JXQKYFDLKIUCFS-CQSZACIVSA-N 1 0 300.402 3.396 10 0 DGAERO O=C(Cc1ccoc1)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000125870540 623579302 /nfs/dbraw/zinc/57/93/02/623579302.db2.gz KNOZYHVKCFGDSE-GOSISDBHSA-N 1 0 313.397 3.278 10 0 DGAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127427197 624392299 /nfs/dbraw/zinc/39/22/99/624392299.db2.gz ABJUOVTZYOVDJB-STQMWFEESA-N 1 0 302.187 3.245 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCSC(C)(C)C ZINC000130768836 625901790 /nfs/dbraw/zinc/90/17/90/625901790.db2.gz GWNNJARRALNFQS-CQSZACIVSA-N 1 0 300.512 3.289 10 0 DGAERO CC(C)c1ccc(NC(=O)CN(C)CCOCC2CC2)cc1 ZINC000130870897 625912842 /nfs/dbraw/zinc/91/28/42/625912842.db2.gz IIFSTBONVGLRMC-UHFFFAOYSA-N 1 0 304.434 3.107 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000132411704 626718311 /nfs/dbraw/zinc/71/83/11/626718311.db2.gz MQDVJWKNMSNYHX-OUKQBFOZSA-N 1 0 306.837 3.296 10 0 DGAERO CC[NH2+]Cc1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2 ZINC000757135272 626750965 /nfs/dbraw/zinc/75/09/65/626750965.db2.gz FLXLMYHLPSZEER-UHFFFAOYSA-N 1 0 324.424 3.491 10 0 DGAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000757183799 626753146 /nfs/dbraw/zinc/75/31/46/626753146.db2.gz HASAHPDCLUJBHP-OLZOCXBDSA-N 1 0 315.335 3.350 10 0 DGAERO COc1ccc(CC[N@@H+]2CCC[C@H](c3nnc(C)o3)[C@@H]2C)cc1 ZINC000886078310 627100042 /nfs/dbraw/zinc/10/00/42/627100042.db2.gz UUKLURLVBPWAFV-GUYCJALGSA-N 1 0 315.417 3.197 10 0 DGAERO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cnccc2C)cn1 ZINC000886093412 627101750 /nfs/dbraw/zinc/10/17/50/627101750.db2.gz LLTDCEJYYNBJCI-RLFYNMQTSA-N 1 0 314.433 3.035 10 0 DGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000220932907 627212309 /nfs/dbraw/zinc/21/23/09/627212309.db2.gz OLAWFRFIBNIAJZ-KBPBESRZSA-N 1 0 323.437 3.281 10 0 DGAERO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000221613875 627221456 /nfs/dbraw/zinc/22/14/56/627221456.db2.gz NKNMPZJBOMYJOM-NWDGAFQWSA-N 1 0 322.371 3.316 10 0 DGAERO CCOc1cccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000222081366 627234203 /nfs/dbraw/zinc/23/42/03/627234203.db2.gz JSGUVZTUCDIDMF-CQSZACIVSA-N 1 0 322.449 3.478 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000300800028 627281841 /nfs/dbraw/zinc/28/18/41/627281841.db2.gz AGTODIXCXLELNO-KBPBESRZSA-N 1 0 314.470 3.179 10 0 DGAERO CCCCCCNC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000121561141 631080038 /nfs/dbraw/zinc/08/00/38/631080038.db2.gz NIPNWSAFMXLVST-ZDUSSCGKSA-N 1 0 310.413 3.181 10 0 DGAERO C[C@H]([NH3+])CCc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000109520301 632221931 /nfs/dbraw/zinc/22/19/31/632221931.db2.gz LKMQMGOSCYBXIK-QMMMGPOBSA-N 1 0 300.189 3.247 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000185348186 660217195 /nfs/dbraw/zinc/21/71/95/660217195.db2.gz IVNIYEMJJPAIBX-HNNXBMFYSA-N 1 0 324.490 3.299 10 0 DGAERO c1csc([C@H]2C[C@H]([NH2+][C@@H]3CCCc4n[nH]cc43)CCO2)c1 ZINC000453418149 660489860 /nfs/dbraw/zinc/48/98/60/660489860.db2.gz IZKXSRMIAYGSSQ-UXIGCNINSA-N 1 0 303.431 3.359 10 0 DGAERO C/C(=C/C(=O)OCCOCCCc1cccc(C)n1)C1CC1 ZINC000126773520 660570117 /nfs/dbraw/zinc/57/01/17/660570117.db2.gz BNTDGGUJSYXLRC-YPKPFQOOSA-N 1 0 303.402 3.239 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1ccc2c(c1)OCO2 ZINC000132935942 660603658 /nfs/dbraw/zinc/60/36/58/660603658.db2.gz JYEIHWSJTDVWMT-ZUZCIYMTSA-N 1 0 321.323 3.078 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(F)F ZINC000700236698 660616260 /nfs/dbraw/zinc/61/62/60/660616260.db2.gz NWMWXZNUKRJJLQ-NWDGAFQWSA-N 1 0 306.397 3.267 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]Cc2ccc(O)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000700751924 660633110 /nfs/dbraw/zinc/63/31/10/660633110.db2.gz MJMBGTGWYWSOBA-RISCZKNCSA-N 1 0 324.396 3.019 10 0 DGAERO CCOC1CCC([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000701122031 660656592 /nfs/dbraw/zinc/65/65/92/660656592.db2.gz HDRYNUVVNNCFSF-HESLUPGFSA-N 1 0 314.470 3.225 10 0 DGAERO C[C@@H](CC[NH2+][C@H]1CC[C@H](C)SC1)NC(=O)OC(C)(C)C ZINC000701557938 660672353 /nfs/dbraw/zinc/67/23/53/660672353.db2.gz FVMCDFLCOMFQAS-AVGNSLFASA-N 1 0 302.484 3.163 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000701995697 660696574 /nfs/dbraw/zinc/69/65/74/660696574.db2.gz YTLAGEUXEKIWQI-RFQIPJPRSA-N 1 0 314.495 3.163 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000701992219 660696607 /nfs/dbraw/zinc/69/66/07/660696607.db2.gz GQLVBRXEYJWWCG-ZOBORPQBSA-N 1 0 314.495 3.306 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988300 660752194 /nfs/dbraw/zinc/75/21/94/660752194.db2.gz MFEDBZHZOQSAHF-OTBHMBEGSA-N 1 0 316.489 3.180 10 0 DGAERO CC(C)[C@@H](CC[NH2+][C@@H]1CCCSC1)NC(=O)OC(C)(C)C ZINC000703107944 660762812 /nfs/dbraw/zinc/76/28/12/660762812.db2.gz MMIVABKYFIDCOT-ZIAGYGMSSA-N 1 0 316.511 3.411 10 0 DGAERO Cc1cc(Br)c(Cl)cc1NC(=O)C1CC([NH3+])C1 ZINC000703617276 660785243 /nfs/dbraw/zinc/78/52/43/660785243.db2.gz RFYDZSFZJGAQOA-UHFFFAOYSA-N 1 0 317.614 3.087 10 0 DGAERO C[C@@H]1C[C@@H](Nc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000705922939 660839130 /nfs/dbraw/zinc/83/91/30/660839130.db2.gz KXFQYMUYINIWNC-KOLCDFICSA-N 1 0 324.222 3.485 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000705960204 660843484 /nfs/dbraw/zinc/84/34/84/660843484.db2.gz PWCGBIRRUKMBJA-QLFBSQMISA-N 1 0 314.470 3.179 10 0 DGAERO CS[C@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707917100 660915519 /nfs/dbraw/zinc/91/55/19/660915519.db2.gz MHMFETSDWCIMQH-RFGFWPKPSA-N 1 0 314.495 3.116 10 0 DGAERO CSC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707920986 660915636 /nfs/dbraw/zinc/91/56/36/660915636.db2.gz ZLMHADCCKVOCNY-XUXIUFHCSA-N 1 0 314.495 3.116 10 0 DGAERO Cc1conc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000708293412 660919895 /nfs/dbraw/zinc/91/98/95/660919895.db2.gz STZRDGOLMAHYQY-ZIAGYGMSSA-N 1 0 323.437 3.108 10 0 DGAERO CC[C@H](C[NH2+][C@H]1CCCSCC1)NC(=O)OC(C)(C)C ZINC000709562650 660929592 /nfs/dbraw/zinc/92/95/92/660929592.db2.gz QSAQWZONCGEPKD-OLZOCXBDSA-N 1 0 302.484 3.165 10 0 DGAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ncc(C(F)(F)F)cc1Cl)C2 ZINC000709783744 660930412 /nfs/dbraw/zinc/93/04/12/660930412.db2.gz MWXIOHWONXZPBS-HGNGGELXSA-N 1 0 305.731 3.070 10 0 DGAERO Fc1cccc(Br)c1C[NH2+]CCc1ccns1 ZINC000709915330 660931467 /nfs/dbraw/zinc/93/14/67/660931467.db2.gz KFRFTTKKGNXQOL-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO COC1(OC)CC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000710961717 660938770 /nfs/dbraw/zinc/93/87/70/660938770.db2.gz QCARQUJVJBMEDN-ZWNOBZJWSA-N 1 0 314.223 3.251 10 0 DGAERO C[C@H](CCc1ccco1)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711478227 660954069 /nfs/dbraw/zinc/95/40/69/660954069.db2.gz WBTZNIJPUKHCTH-WLYUNCDWSA-N 1 0 322.449 3.494 10 0 DGAERO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000711354431 660948276 /nfs/dbraw/zinc/94/82/76/660948276.db2.gz BGHMKYKUMULRAY-MRXNPFEDSA-N 1 0 324.424 3.450 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711364962 660949019 /nfs/dbraw/zinc/94/90/19/660949019.db2.gz CDMKRNLXJPRBPW-LLVKDONJSA-N 1 0 315.244 3.197 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000711393595 660949277 /nfs/dbraw/zinc/94/92/77/660949277.db2.gz SXAJNDDZXKCROH-CWRNSKLLSA-N 1 0 316.445 3.219 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711405868 660950608 /nfs/dbraw/zinc/95/06/08/660950608.db2.gz DNLNGQYSEVGHJX-CABCVRRESA-N 1 0 324.465 3.077 10 0 DGAERO Cc1ccc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)cc1 ZINC000711446731 660953248 /nfs/dbraw/zinc/95/32/48/660953248.db2.gz GGGVJHHQGFXUFC-UHFFFAOYSA-N 1 0 304.434 3.388 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCc2cccc(F)c2)C1 ZINC000711472495 660953591 /nfs/dbraw/zinc/95/35/91/660953591.db2.gz CEMBWOVNBVZPDK-UHFFFAOYSA-N 1 0 322.424 3.261 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000711201192 660941592 /nfs/dbraw/zinc/94/15/92/660941592.db2.gz KINRQRVNTBZQBN-ILXRZTDVSA-N 1 0 324.465 3.076 10 0 DGAERO COc1ccccc1C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711458685 660953956 /nfs/dbraw/zinc/95/39/56/660953956.db2.gz KGAFNCLHTWULRA-UHFFFAOYSA-N 1 0 320.433 3.088 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCc2ccccc2F)C1 ZINC000711474625 660954005 /nfs/dbraw/zinc/95/40/05/660954005.db2.gz GUNRNCIOJVGRIX-UHFFFAOYSA-N 1 0 322.424 3.261 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1nccn1C1CC1 ZINC000711795154 660963162 /nfs/dbraw/zinc/96/31/62/660963162.db2.gz NPKYDCWSBWYART-FUHWJXTLSA-N 1 0 324.472 3.076 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1nccn1C1CC1 ZINC000711795150 660963457 /nfs/dbraw/zinc/96/34/57/660963457.db2.gz NPKYDCWSBWYART-AEFFLSMTSA-N 1 0 324.472 3.076 10 0 DGAERO Brc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)o1 ZINC000711833183 660963911 /nfs/dbraw/zinc/96/39/11/660963911.db2.gz MEPWQQDICIHTHV-RISCZKNCSA-N 1 0 314.223 3.337 10 0 DGAERO C[C@H]1CC[C@H]([NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CS1 ZINC000711489032 660955242 /nfs/dbraw/zinc/95/52/42/660955242.db2.gz CWHFXFHGVAEJLY-AHPWVWPOSA-N 1 0 314.495 3.163 10 0 DGAERO COc1cc(C[NH2+]C[C@H]2C=CCC2)cc(Br)c1O ZINC000711707047 660962048 /nfs/dbraw/zinc/96/20/48/660962048.db2.gz BSDSOCUBHJRXJP-JTQLQIEISA-N 1 0 312.207 3.219 10 0 DGAERO C[C@@H](NCc1nccn1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711747250 660962207 /nfs/dbraw/zinc/96/22/07/660962207.db2.gz RNRDYWCUZQZEMJ-AEFFLSMTSA-N 1 0 324.472 3.218 10 0 DGAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000049948767 655627048 /nfs/dbraw/zinc/62/70/48/655627048.db2.gz RWPFGLCTCNSQPQ-OLZOCXBDSA-N 1 0 302.187 3.245 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000050373504 655656432 /nfs/dbraw/zinc/65/64/32/655656432.db2.gz JDOMORNZJAGBFH-QWHCGFSZSA-N 1 0 302.187 3.245 10 0 DGAERO Cc1cccc([C@H](C)C(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000261687277 655664577 /nfs/dbraw/zinc/66/45/77/655664577.db2.gz IBJRDMDITAWSHN-KRWDZBQOSA-N 1 0 310.441 3.129 10 0 DGAERO C/C(=C/C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000255278696 655680819 /nfs/dbraw/zinc/68/08/19/655680819.db2.gz GAKRHDOJTAGBGM-ICFOKQHNSA-N 1 0 312.457 3.424 10 0 DGAERO Cc1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cnc1Cl ZINC000160898315 655695684 /nfs/dbraw/zinc/69/56/84/655695684.db2.gz ZNZNNSXNJBLVMN-UHFFFAOYSA-N 1 0 324.856 3.285 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000040502802 655698952 /nfs/dbraw/zinc/69/89/52/655698952.db2.gz FERQNLYXZSAZIO-LLVKDONJSA-N 1 0 304.406 3.309 10 0 DGAERO CC(C)C[NH+]1CCN(C(=O)/C=C\c2ccnc3ccccc23)CC1 ZINC000255356304 655705409 /nfs/dbraw/zinc/70/54/09/655705409.db2.gz BOXYXAWLDNPOJL-FPLPWBNLSA-N 1 0 323.440 3.048 10 0 DGAERO CC(C)(C[NH2+]Cc1csc2ccccc12)CS(C)(=O)=O ZINC000723848239 655724254 /nfs/dbraw/zinc/72/42/54/655724254.db2.gz SXGLPWVTEUIDHF-UHFFFAOYSA-N 1 0 311.472 3.062 10 0 DGAERO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1csc(Cl)c1 ZINC000723879145 655727785 /nfs/dbraw/zinc/72/77/85/655727785.db2.gz LMGJKFCSZSTFJQ-VIFPVBQESA-N 1 0 309.884 3.123 10 0 DGAERO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)CS(C)(=O)=O ZINC000723883398 655728483 /nfs/dbraw/zinc/72/84/83/655728483.db2.gz PMFYCZFAOGAZCZ-UONOGXRCSA-N 1 0 303.512 3.252 10 0 DGAERO CC[C@@H]([NH2+]Cc1cccc(Br)n1)[C@H]1CCCOC1 ZINC000724012906 655736240 /nfs/dbraw/zinc/73/62/40/655736240.db2.gz UOZGZGWEJJEVRN-WCQYABFASA-N 1 0 313.239 3.139 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccc(Br)o1)[C@@H]1CCCOC1 ZINC000724015331 655736721 /nfs/dbraw/zinc/73/67/21/655736721.db2.gz TWZRPQALLUHACO-ZYHUDNBSSA-N 1 0 302.212 3.337 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000724025152 655737394 /nfs/dbraw/zinc/73/73/94/655737394.db2.gz DKTYEXBGWKOYIP-UONOGXRCSA-N 1 0 323.437 3.074 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000724070869 655739948 /nfs/dbraw/zinc/73/99/48/655739948.db2.gz FPPKZLCVPIRLSE-UPJWGTAASA-N 1 0 318.408 3.315 10 0 DGAERO C[C@](O)(C[NH2+]C1CCC2(CC2)CC1)C(F)(F)C(F)(F)F ZINC000724082354 655741098 /nfs/dbraw/zinc/74/10/98/655741098.db2.gz FPYAGYVFUGNKDU-JTQLQIEISA-N 1 0 301.299 3.247 10 0 DGAERO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1ccsc1 ZINC000724105340 655742079 /nfs/dbraw/zinc/74/20/79/655742079.db2.gz AVGFZBIDQSBHHQ-APPZFPTMSA-N 1 0 303.296 3.347 10 0 DGAERO C[C@@](O)(C[NH2+]Cc1ccc(Cl)s1)C(F)(F)C(F)(F)F ZINC000724114288 655743543 /nfs/dbraw/zinc/74/35/43/655743543.db2.gz MUVVPVGBYKQWDK-MRVPVSSYSA-N 1 0 323.714 3.440 10 0 DGAERO C[C@@H](CC[NH2+]Cc1cn(C)nc1Br)c1ccccc1 ZINC000712408364 661188124 /nfs/dbraw/zinc/18/81/24/661188124.db2.gz YXNRTMFKPWYJAA-LBPRGKRZSA-N 1 0 322.250 3.466 10 0 DGAERO C[C@H](CCC(C)(C)C)[NH2+]Cc1cn(C)nc1Br ZINC000712396209 661188167 /nfs/dbraw/zinc/18/81/67/661188167.db2.gz FGPPIULWBMYPPW-SNVBAGLBSA-N 1 0 302.260 3.487 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C1CN(C(=O)OC(C)(C)C)C1 ZINC000712437398 661188505 /nfs/dbraw/zinc/18/85/05/661188505.db2.gz GTILANQKODOFRF-DARAHFNDSA-N 1 0 308.466 3.410 10 0 DGAERO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cn(C)nc1Br ZINC000712468789 661188625 /nfs/dbraw/zinc/18/86/25/661188625.db2.gz CRXQENCZKKWHDY-MNOVXSKESA-N 1 0 300.244 3.099 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2Br)[C@@H](C)C1 ZINC000712470536 661188694 /nfs/dbraw/zinc/18/86/94/661188694.db2.gz LWOIPVWCWIJQLX-JFGNBEQYSA-N 1 0 300.244 3.097 10 0 DGAERO CCCC1(C[NH2+]Cc2cn(C)nc2Br)CCC1 ZINC000712483616 661189017 /nfs/dbraw/zinc/18/90/17/661189017.db2.gz ZTWNWSPMAVCTJD-UHFFFAOYSA-N 1 0 300.244 3.243 10 0 DGAERO CCC(F)(F)C(C)(C)C[NH2+]Cc1cn(C)nc1Br ZINC000712483393 661189131 /nfs/dbraw/zinc/18/91/31/661189131.db2.gz WTNFCCLIJLFKKE-UHFFFAOYSA-N 1 0 324.213 3.344 10 0 DGAERO CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000712571575 661189483 /nfs/dbraw/zinc/18/94/83/661189483.db2.gz JMCTYOARHFNMGV-UWVGGRQHSA-N 1 0 303.269 3.255 10 0 DGAERO C[N@@H+]1CCN(c2nc(Cl)nc3sccc32)CCC1(C)C ZINC000712607436 661189520 /nfs/dbraw/zinc/18/95/20/661189520.db2.gz IJXDICGVDXQMBR-UHFFFAOYSA-N 1 0 310.854 3.265 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713015153 661189825 /nfs/dbraw/zinc/18/98/25/661189825.db2.gz OLEGUWMHZSEQPO-NSHDSACASA-N 1 0 304.253 3.068 10 0 DGAERO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000713109080 661190181 /nfs/dbraw/zinc/19/01/81/661190181.db2.gz BGIGNDPNATYHBR-KBPBESRZSA-N 1 0 301.496 3.006 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713094599 661190324 /nfs/dbraw/zinc/19/03/24/661190324.db2.gz SKOLZCPZVJCIHN-NSHDSACASA-N 1 0 304.253 3.210 10 0 DGAERO Brc1ccsc1CC[NH2+]Cc1cscn1 ZINC000713077883 661190327 /nfs/dbraw/zinc/19/03/27/661190327.db2.gz FJERXHZSZLIBRI-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO C[C@H]([NH2+]CCc1sccc1Br)[C@@H]1CCOC1 ZINC000713094574 661190331 /nfs/dbraw/zinc/19/03/31/661190331.db2.gz SCHFLOZHXIGZBN-VHSXEESVSA-N 1 0 304.253 3.068 10 0 DGAERO C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccc(Cl)c(Cl)c1 ZINC000713364637 661191248 /nfs/dbraw/zinc/19/12/48/661191248.db2.gz KLAIVYJAZRPJSG-APKCBFJXSA-N 1 0 313.228 3.298 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000724967613 655840975 /nfs/dbraw/zinc/84/09/75/655840975.db2.gz WXVQBBMAXMNISS-HKMPYMFOSA-N 1 0 322.655 3.167 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000724977344 655841743 /nfs/dbraw/zinc/84/17/43/655841743.db2.gz WHMLNFRONQHBPE-KZWUZYHLSA-N 1 0 322.246 3.198 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2cccc(Cl)c2Br)C1 ZINC000725002267 655845646 /nfs/dbraw/zinc/84/56/46/655845646.db2.gz SUNXBXOTVHJDKN-QDYJBQRPSA-N 1 0 316.626 3.106 10 0 DGAERO CN(CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C(=O)OC(C)(C)C ZINC000721571995 655852486 /nfs/dbraw/zinc/85/24/86/655852486.db2.gz SFQWPJXIXXEVPF-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1Cc1cn(C)nc1Br ZINC000713862771 661195158 /nfs/dbraw/zinc/19/51/58/661195158.db2.gz ZVWHUNHVBYPMQS-GFCCVEGCSA-N 1 0 300.244 3.337 10 0 DGAERO CC[C@H]1CCC[N@H+](Cc2cn(C)nc2Br)CC1 ZINC000713858169 661195247 /nfs/dbraw/zinc/19/52/47/661195247.db2.gz DTHMMFRZSJMGKI-NSHDSACASA-N 1 0 300.244 3.195 10 0 DGAERO CN(CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000721590963 655861064 /nfs/dbraw/zinc/86/10/64/655861064.db2.gz ZHGCUVCGDVPRJS-ZWKOTPCHSA-N 1 0 304.478 3.302 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)s1 ZINC000714377396 661199100 /nfs/dbraw/zinc/19/91/00/661199100.db2.gz VZPZCUPHWCBWOQ-ZJUUUORDSA-N 1 0 307.868 3.019 10 0 DGAERO CCOC1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179314602 655888480 /nfs/dbraw/zinc/88/84/80/655888480.db2.gz KCSCDXFKWMJWTB-INIZCTEOSA-N 1 0 322.836 3.334 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)c(F)c1 ZINC000714365390 661199415 /nfs/dbraw/zinc/19/94/15/661199415.db2.gz LNSZGINXOZZUPE-JQWIXIFHSA-N 1 0 319.829 3.097 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)s1 ZINC000714364144 661199417 /nfs/dbraw/zinc/19/94/17/661199417.db2.gz GQUFFTKFKCMFDA-CYBMUJFWSA-N 1 0 315.504 3.103 10 0 DGAERO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000179346661 655889694 /nfs/dbraw/zinc/88/96/94/655889694.db2.gz ZEWABDIIOFYODI-CZUORRHYSA-N 1 0 311.385 3.272 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000714479514 661201260 /nfs/dbraw/zinc/20/12/60/661201260.db2.gz XMXXZBUHDYQEQP-JGZJWPJOSA-N 1 0 302.187 3.103 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)/C=C\c1cccs1)c1ccccc1 ZINC000255846081 655911664 /nfs/dbraw/zinc/91/16/64/655911664.db2.gz PNGNXESWNRMTRN-BLIJAFNYSA-N 1 0 300.427 3.180 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000714729402 661202725 /nfs/dbraw/zinc/20/27/25/661202725.db2.gz FXQNZZHPBVVNLW-MGCOHNPYSA-N 1 0 302.187 3.103 10 0 DGAERO C[N@H+](CCCOC(=O)CCc1cscn1)Cc1ccccc1 ZINC000177195519 655916824 /nfs/dbraw/zinc/91/68/24/655916824.db2.gz CSRJPFDXAJOJNK-UHFFFAOYSA-N 1 0 318.442 3.141 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\Sc2ccccc2)C1 ZINC000255888028 655950229 /nfs/dbraw/zinc/95/02/29/655950229.db2.gz RVZBCSRFVDSRSC-WGCVJFFOSA-N 1 0 304.459 3.137 10 0 DGAERO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1cncnc1)c1cccs1 ZINC000180508523 655966425 /nfs/dbraw/zinc/96/64/25/655966425.db2.gz LTVACBJPLXWCBT-CVEARBPZSA-N 1 0 317.458 3.406 10 0 DGAERO [NH3+]C1CC(CNC(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000715153600 661209025 /nfs/dbraw/zinc/20/90/25/661209025.db2.gz WGGOBVMEHFJWQK-UHFFFAOYSA-N 1 0 312.866 3.066 10 0 DGAERO [NH3+]C[C@@H]1[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)C1(F)F ZINC000715135119 661209752 /nfs/dbraw/zinc/20/97/52/661209752.db2.gz AYHBQRPGUXGENP-HZPDHXFCSA-N 1 0 316.351 3.060 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000327878257 656007658 /nfs/dbraw/zinc/00/76/58/656007658.db2.gz LGIKVGSFLZMLCL-CZUORRHYSA-N 1 0 314.495 3.119 10 0 DGAERO CCCn1cc([C@@H](C)[NH2+]C2CC(OCc3ccccc3)C2)nn1 ZINC000715851754 661214888 /nfs/dbraw/zinc/21/48/88/661214888.db2.gz DWXYFBHHJSYHFK-ODIFPOPNSA-N 1 0 314.433 3.087 10 0 DGAERO C[C@@H](C[NH2+]Cc1cccc2cnccc21)CC1(C)OCCO1 ZINC000715923026 661215881 /nfs/dbraw/zinc/21/58/81/661215881.db2.gz UOYIRDHQIYJZOK-CQSZACIVSA-N 1 0 300.402 3.114 10 0 DGAERO C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccns1 ZINC000716034635 661216585 /nfs/dbraw/zinc/21/65/85/661216585.db2.gz RQICOGCEYRZHAN-SDDRHHMPSA-N 1 0 311.451 3.097 10 0 DGAERO Cc1ccnc(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000328182230 656055933 /nfs/dbraw/zinc/05/59/33/656055933.db2.gz NPVYQHAWSNNRJI-ZBFHGGJFSA-N 1 0 319.449 3.173 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)ccc1F ZINC000309945542 656110455 /nfs/dbraw/zinc/11/04/55/656110455.db2.gz KDQUHIWTSNRRLS-CYBMUJFWSA-N 1 0 310.413 3.479 10 0 DGAERO O=C(CC[C@@H]1CCOC1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183205585 656111303 /nfs/dbraw/zinc/11/13/03/656111303.db2.gz BTWWEUYKADRHOQ-MSOLQXFVSA-N 1 0 317.429 3.011 10 0 DGAERO C[C@@H](OCC1CC1)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183186315 656111341 /nfs/dbraw/zinc/11/13/41/656111341.db2.gz OEZMNURBIVMFQX-CRAIPNDOSA-N 1 0 317.429 3.009 10 0 DGAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000716790421 661229184 /nfs/dbraw/zinc/22/91/84/661229184.db2.gz PORNMNZVBJOTCG-JECWYVHBSA-N 1 0 305.180 3.047 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000189129017 656152450 /nfs/dbraw/zinc/15/24/50/656152450.db2.gz NZLBLSYSLIVKIO-KGLIPLIRSA-N 1 0 323.412 3.004 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+]CC[C@@H]2CCC3(CCC3)O2)C1 ZINC000716857652 661230135 /nfs/dbraw/zinc/23/01/35/661230135.db2.gz MOEWVSJRRKEAGP-NRXISQOPSA-N 1 0 324.465 3.124 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cncc(Br)c1 ZINC000716885006 661230176 /nfs/dbraw/zinc/23/01/76/661230176.db2.gz JYDSPIDBJBJCER-GIPNMCIBSA-N 1 0 301.228 3.044 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000312580924 656155625 /nfs/dbraw/zinc/15/56/25/656155625.db2.gz KNQWWAAKEJGGCB-WDEREUQCSA-N 1 0 305.390 3.376 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000716886264 661230187 /nfs/dbraw/zinc/23/01/87/661230187.db2.gz OVWRCFFMSSCYFW-MWLCHTKSSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(Br)ccc1OC ZINC000716946316 661234734 /nfs/dbraw/zinc/23/47/34/661234734.db2.gz QRIZGJQAQZAMQF-GWCFXTLKSA-N 1 0 316.239 3.097 10 0 DGAERO CCc1ccc(CN2CC[NH+](C[C@H]3CCC=CO3)CC2)s1 ZINC000193869539 656195565 /nfs/dbraw/zinc/19/55/65/656195565.db2.gz KCXCNPUUPGSXFJ-OAHLLOKOSA-N 1 0 306.475 3.121 10 0 DGAERO COc1cc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)ccc1C ZINC000194288164 656199633 /nfs/dbraw/zinc/19/96/33/656199633.db2.gz MELFQRDSLYRQLH-UHFFFAOYSA-N 1 0 322.449 3.397 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC000195174817 656210084 /nfs/dbraw/zinc/21/00/84/656210084.db2.gz HHWUFOLSJUUUHM-IYOUNJFTSA-N 1 0 308.466 3.221 10 0 DGAERO COC(=O)c1cc(CNCc2ccsc2Cl)n(C)c1C ZINC000312762091 656210154 /nfs/dbraw/zinc/21/01/54/656210154.db2.gz VVZGRBGAQWSUIJ-UHFFFAOYSA-N 1 0 312.822 3.125 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21)C1CN(C(=O)OC(C)(C)C)C1 ZINC000717013049 661237512 /nfs/dbraw/zinc/23/75/12/661237512.db2.gz HLDDJXLUKKUXMU-TTZDDIAXSA-N 1 0 308.466 3.268 10 0 DGAERO C[C@H](CNC(=O)CSC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025940431 656218764 /nfs/dbraw/zinc/21/87/64/656218764.db2.gz MRXDSCRQQXAIJJ-CQSZACIVSA-N 1 0 320.502 3.081 10 0 DGAERO C[C@@H](C1CC1)[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000074766839 656309135 /nfs/dbraw/zinc/30/91/35/656309135.db2.gz KWBNESKJVDUAOB-KMYSJOAASA-N 1 0 316.489 3.146 10 0 DGAERO CC(C)C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717143156 661255333 /nfs/dbraw/zinc/25/53/33/661255333.db2.gz IBXZDOONCGHORR-LBPRGKRZSA-N 1 0 306.397 3.124 10 0 DGAERO CSc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000717153014 661255782 /nfs/dbraw/zinc/25/57/82/661255782.db2.gz SDVJLLAXLUDNEZ-STQMWFEESA-N 1 0 304.381 3.120 10 0 DGAERO [NH3+][C@@H]1CN(Cc2cc(F)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000717149652 661255802 /nfs/dbraw/zinc/25/58/02/661255802.db2.gz LEQNGELRYBVQGJ-NWDGAFQWSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@@H]1CN(Cc2c(F)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000717156133 661256060 /nfs/dbraw/zinc/25/60/60/661256060.db2.gz UKHLGSGIGGUBBL-BXKDBHETSA-N 1 0 310.722 3.191 10 0 DGAERO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1O ZINC000245869950 656393439 /nfs/dbraw/zinc/39/34/39/656393439.db2.gz RFEGZYMZHKSSNQ-YOEHRIQHSA-N 1 0 309.837 3.481 10 0 DGAERO CC1(C)CO[C@H](CC[NH2+]Cc2cncc(Br)c2)C1 ZINC000717325132 661261971 /nfs/dbraw/zinc/26/19/71/661261971.db2.gz CMEBBPODRVBJOI-CYBMUJFWSA-N 1 0 313.239 3.139 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(Cl)n1)c1ccc(-n2cncn2)cc1 ZINC000181883415 656480799 /nfs/dbraw/zinc/48/07/99/656480799.db2.gz KZUBCZQCFHAPFE-GFCCVEGCSA-N 1 0 313.792 3.167 10 0 DGAERO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723645939 656498268 /nfs/dbraw/zinc/49/82/68/656498268.db2.gz ZDMHDMBVAQGKIG-VBSBHUPXSA-N 1 0 316.489 3.302 10 0 DGAERO CSc1cc(Br)ccc1C[NH2+][C@H](C)[C@@H](C)O ZINC000336688153 656500455 /nfs/dbraw/zinc/50/04/55/656500455.db2.gz JOACBIMZKGUQDN-RKDXNWHRSA-N 1 0 304.253 3.030 10 0 DGAERO CC[C@@H]([NH2+]Cc1ncc(Br)s1)[C@H]1CCCOC1 ZINC000723957624 656504749 /nfs/dbraw/zinc/50/47/49/656504749.db2.gz DEOOABPKDQUESN-VHSXEESVSA-N 1 0 319.268 3.200 10 0 DGAERO Cn1cc(C[NH2+][C@H](C2CC2)C2CCCC2)c(Br)n1 ZINC000723964933 656505580 /nfs/dbraw/zinc/50/55/80/656505580.db2.gz MFTUYVNCIFKILW-ZDUSSCGKSA-N 1 0 312.255 3.241 10 0 DGAERO CC(C)O[C@]1(C[NH2+]Cc2cccc(Cl)c2F)CCOC1 ZINC000722356874 656509701 /nfs/dbraw/zinc/50/97/01/656509701.db2.gz LKNNZAXTTKWKGQ-HNNXBMFYSA-N 1 0 301.789 3.153 10 0 DGAERO CC(C)O[C@]1(C[NH2+]Cc2ccc(Cl)cc2F)CCOC1 ZINC000722358985 656517455 /nfs/dbraw/zinc/51/74/55/656517455.db2.gz YLLGQDWGXKCFDF-HNNXBMFYSA-N 1 0 301.789 3.153 10 0 DGAERO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc3c(c2)CCO3)n1 ZINC000178514810 656561788 /nfs/dbraw/zinc/56/17/88/656561788.db2.gz PDVZFMACOPZKHD-CYBMUJFWSA-N 1 0 315.417 3.411 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(Cl)nc1Cl ZINC000233504808 656938178 /nfs/dbraw/zinc/93/81/78/656938178.db2.gz LNFNIIHXURYRQY-GFCCVEGCSA-N 1 0 302.249 3.305 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(CSc2ccc(F)cc2)no1 ZINC000097329197 656943850 /nfs/dbraw/zinc/94/38/50/656943850.db2.gz IJVCXXMWKULQNT-MFKMUULPSA-N 1 0 307.394 3.343 10 0 DGAERO OC[C@]1(c2ccccc2)CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261660104 656949978 /nfs/dbraw/zinc/94/99/78/656949978.db2.gz FPOLCVBPTBQNQY-NRFANRHFSA-N 1 0 322.452 3.181 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1c[nH]cc1-c1ccccc1 ZINC000261669718 656958812 /nfs/dbraw/zinc/95/88/12/656958812.db2.gz PBSZNUVMYKXZSE-JOUKPKRSSA-N 1 0 323.440 3.318 10 0 DGAERO COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C)oc1ccccc12 ZINC000261806751 657109003 /nfs/dbraw/zinc/10/90/03/657109003.db2.gz WINYUWOKQRDPKJ-BXUZGUMPSA-N 1 0 324.380 3.389 10 0 DGAERO C[C@@H](c1ccccc1Cl)N1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261889436 657164139 /nfs/dbraw/zinc/16/41/39/657164139.db2.gz SOBBPLLGZPIJCD-YJBOKZPZSA-N 1 0 321.896 3.018 10 0 DGAERO CN(Cc1csc(Br)c1)c1cc[nH+]cc1CO ZINC000126452488 657190092 /nfs/dbraw/zinc/19/00/92/657190092.db2.gz ZFIXZFNHBLXZEA-UHFFFAOYSA-N 1 0 313.220 3.034 10 0 DGAERO CC[C@](C)(O)C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000249421208 657406782 /nfs/dbraw/zinc/40/67/82/657406782.db2.gz XCQAMNKDJLDEPB-PBHICJAKSA-N 1 0 316.486 3.019 10 0 DGAERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000249991187 657442815 /nfs/dbraw/zinc/44/28/15/657442815.db2.gz ZWIOXIVMSKKXIQ-BBRMVZONSA-N 1 0 324.808 3.375 10 0 DGAERO Cc1nc(Cc2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)cs1 ZINC000250903292 657496376 /nfs/dbraw/zinc/49/63/76/657496376.db2.gz PXXIMZNDLJAOHH-UHTWSYAYSA-N 1 0 304.419 3.019 10 0 DGAERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000303081279 657515248 /nfs/dbraw/zinc/51/52/48/657515248.db2.gz UZCWCFCBMOCYIJ-OAHLLOKOSA-N 1 0 315.413 3.363 10 0 DGAERO C/C=C\CC(=O)NC[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000096845233 657559285 /nfs/dbraw/zinc/55/92/85/657559285.db2.gz BYTBKSPNSXHAPX-RXYHWBRQSA-N 1 0 323.440 3.139 10 0 DGAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3ccccc3Br)no2)C1 ZINC000097068059 657591623 /nfs/dbraw/zinc/59/16/23/657591623.db2.gz ZGXUBNZRFOYWGU-BDAKNGLRSA-N 1 0 308.179 3.094 10 0 DGAERO CC(C)(C)[C@@H]([NH3+])Cc1nc(CSc2ccc(F)cc2)no1 ZINC000097331204 657633381 /nfs/dbraw/zinc/63/33/81/657633381.db2.gz PZEWJKNPWJSTNF-LBPRGKRZSA-N 1 0 309.410 3.417 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000262531361 657711029 /nfs/dbraw/zinc/71/10/29/657711029.db2.gz PRISUWKHIPEJFJ-CYBMUJFWSA-N 1 0 314.351 3.100 10 0 DGAERO CO[C@H]1C[C@@H](C[N@H+](C)Cc2cc(Br)cs2)C1 ZINC000721841118 658003118 /nfs/dbraw/zinc/00/31/18/658003118.db2.gz PLTIGRDAIYQEQJ-JGZJWPJOSA-N 1 0 304.253 3.367 10 0 DGAERO CC[C@H]([NH2+]Cc1cn(C)nc1Br)[C@H]1CC1(C)C ZINC000720660595 658056700 /nfs/dbraw/zinc/05/67/00/658056700.db2.gz IWACKEOZISLSIN-MNOVXSKESA-N 1 0 300.244 3.097 10 0 DGAERO CC1(C)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1[NH3+] ZINC000720774462 658118469 /nfs/dbraw/zinc/11/84/69/658118469.db2.gz LZOQOVXLFQSZJY-LLVKDONJSA-N 1 0 302.205 3.194 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000721849372 658134776 /nfs/dbraw/zinc/13/47/76/658134776.db2.gz PALLAKOTLJEPKT-MGPQQGTHSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H](c1ccc(F)c(Cl)c1)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720854475 658150030 /nfs/dbraw/zinc/15/00/30/658150030.db2.gz IKIGAMNVGHMLCB-JWKOBGCHSA-N 1 0 310.722 3.362 10 0 DGAERO Cc1ccc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000720878187 658154781 /nfs/dbraw/zinc/15/47/81/658154781.db2.gz QIGFSFMVHBVYSZ-RYUDHWBXSA-N 1 0 306.759 3.217 10 0 DGAERO Cc1ccc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl ZINC000720878170 658155127 /nfs/dbraw/zinc/15/51/27/658155127.db2.gz QIGFSFMVHBVYSZ-NEPJUHHUSA-N 1 0 306.759 3.217 10 0 DGAERO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N(Cc1ccccc1)c1ccccc1 ZINC000720958748 658254405 /nfs/dbraw/zinc/25/44/05/658254405.db2.gz NPSNCTNHGMZYIV-CEXWTWQISA-N 1 0 306.409 3.075 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000721867460 658291183 /nfs/dbraw/zinc/29/11/83/658291183.db2.gz DVAZLVLHTNQBER-LLVKDONJSA-N 1 0 316.214 3.181 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cn1 ZINC000721874502 658321337 /nfs/dbraw/zinc/32/13/37/658321337.db2.gz RNKLMCSUCZCDCY-HNNXBMFYSA-N 1 0 319.449 3.125 10 0 DGAERO CCO[C@@H]1CCC[C@@H]([NH2+]C/C=C/CNC(=O)OC(C)(C)C)C1 ZINC000721193619 658645652 /nfs/dbraw/zinc/64/56/52/658645652.db2.gz JHUUCTNGIVSUOT-WLBISTCBSA-N 1 0 312.454 3.005 10 0 DGAERO CCO[C@@H]1CCC[C@@H]([NH2+]C/C=C\CNC(=O)OC(C)(C)C)C1 ZINC000721193620 658645981 /nfs/dbraw/zinc/64/59/81/658645981.db2.gz JHUUCTNGIVSUOT-YOVCOIKASA-N 1 0 312.454 3.005 10 0 DGAERO Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721897930 658760458 /nfs/dbraw/zinc/76/04/58/658760458.db2.gz KAXFSONCHDEVQT-AWEZNQCLSA-N 1 0 323.437 3.027 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2ccccc2Cl)C1 ZINC000164609438 658938985 /nfs/dbraw/zinc/93/89/85/658938985.db2.gz RKKHLHOFTIXRFI-PJZFAXFVSA-N 1 0 318.848 3.296 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCCSC1)c1cccc(C(F)(F)F)c1 ZINC000167461682 659090341 /nfs/dbraw/zinc/09/03/41/659090341.db2.gz VXXLVQHQIXWOOD-CHWSQXEVSA-N 1 0 305.365 3.224 10 0 DGAERO c1cc2c(s1)CCC[C@H]2c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000168459310 659143161 /nfs/dbraw/zinc/14/31/61/659143161.db2.gz GUASCMAPPULLIR-DGCLKSJQSA-N 1 0 303.431 3.141 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(C)(C)O ZINC000227586684 659158740 /nfs/dbraw/zinc/15/87/40/659158740.db2.gz XBMUHERKKUFEQH-GFCCVEGCSA-N 1 0 308.422 3.283 10 0 DGAERO Cc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c(C)c1 ZINC000227753121 659162252 /nfs/dbraw/zinc/16/22/52/659162252.db2.gz SPJKAZRFSHPZKY-VOTSOKGWSA-N 1 0 304.434 3.474 10 0 DGAERO CCc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])s1 ZINC000227721617 659162584 /nfs/dbraw/zinc/16/25/84/659162584.db2.gz VEAJCINIHZVNOC-HNNXBMFYSA-N 1 0 300.427 3.009 10 0 DGAERO CCc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)s1 ZINC000227755683 659163292 /nfs/dbraw/zinc/16/32/92/659163292.db2.gz LKZFYRPNLJDXSJ-VOTSOKGWSA-N 1 0 310.463 3.481 10 0 DGAERO C[C@H](O)CCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000228035485 659170526 /nfs/dbraw/zinc/17/05/26/659170526.db2.gz BGXURUPYDZRMAF-GWCFXTLKSA-N 1 0 314.223 3.023 10 0 DGAERO C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CSCCS1 ZINC000229597470 659271901 /nfs/dbraw/zinc/27/19/01/659271901.db2.gz IDIYTBWDYUCHEP-ZIAGYGMSSA-N 1 0 301.521 3.307 10 0 DGAERO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1cccc(Br)c1 ZINC000230204555 659317734 /nfs/dbraw/zinc/31/77/34/659317734.db2.gz GOZNAUKIMGUCQS-GWCFXTLKSA-N 1 0 314.223 3.251 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)Nc2cn(C)nc2C)cc1)C(C)C ZINC000172751427 659352450 /nfs/dbraw/zinc/35/24/50/659352450.db2.gz QPBGFYSZEKJIHE-UHFFFAOYSA-N 1 0 314.433 3.211 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(CNC(=[NH2+])NC2CCCC2)cc1 ZINC000172839615 659358675 /nfs/dbraw/zinc/35/86/75/659358675.db2.gz XELRGIDAMUYYSR-UHFFFAOYSA-N 1 0 317.433 3.198 10 0 DGAERO C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H]1CCCO1 ZINC000230969711 659361738 /nfs/dbraw/zinc/36/17/38/659361738.db2.gz JQCQQNAKQHHXGR-UONOGXRCSA-N 1 0 314.470 3.179 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cn1cc[nH]c1=S ZINC000173330479 659379877 /nfs/dbraw/zinc/37/98/77/659379877.db2.gz XPIMLGWYQMDFMW-AWEZNQCLSA-N 1 0 303.431 3.219 10 0 DGAERO Cc1cccc([C@H]2CCCC[N@@H+]2CN2CCOC2=S)c1C ZINC000173426759 659385616 /nfs/dbraw/zinc/38/56/16/659385616.db2.gz INRBJGTWJQKUBZ-MRXNPFEDSA-N 1 0 304.459 3.405 10 0 DGAERO CC(C)(C)[NH2+]CCNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000174239418 659421382 /nfs/dbraw/zinc/42/13/82/659421382.db2.gz RIVXMHNFQHPYCW-UHFFFAOYSA-N 1 0 305.809 3.006 10 0 DGAERO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1=COCCC1 ZINC000174314085 659429097 /nfs/dbraw/zinc/42/90/97/659429097.db2.gz FUEATGINCIYRMY-KRWDZBQOSA-N 1 0 315.413 3.136 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000089629655 659823982 /nfs/dbraw/zinc/82/39/82/659823982.db2.gz AKYZGIWXDJLFAT-QLFBSQMISA-N 1 0 303.512 3.250 10 0 DGAERO O[C@@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCCC12CCC2 ZINC000444782500 659886536 /nfs/dbraw/zinc/88/65/36/659886536.db2.gz CRPVWQQJYPLXSV-IEBWSBKVSA-N 1 0 315.457 3.460 10 0 DGAERO CCCCCCOc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170862115 659942103 /nfs/dbraw/zinc/94/21/03/659942103.db2.gz CGUHHYVRSHWWQL-KRWDZBQOSA-N 1 0 318.461 3.422 10 0 DGAERO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000180388987 659961155 /nfs/dbraw/zinc/96/11/55/659961155.db2.gz HEIZMQFKCSRJJP-CJNGLKHVSA-N 1 0 320.433 3.127 10 0 DGAERO CC(C)[C@H](CSc1ccccc1)[NH2+]CCCN1CCOC1=O ZINC000180421324 659962172 /nfs/dbraw/zinc/96/21/72/659962172.db2.gz HXXTWULITKQJKO-INIZCTEOSA-N 1 0 322.474 3.235 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000353458957 659984482 /nfs/dbraw/zinc/98/44/82/659984482.db2.gz FKTYNNBPCJROEW-WMZOPIPTSA-N 1 0 310.445 3.041 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000353458955 659984578 /nfs/dbraw/zinc/98/45/78/659984578.db2.gz FKTYNNBPCJROEW-FUHWJXTLSA-N 1 0 310.445 3.041 10 0 DGAERO CS[C@H](C)C(=O)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295194 659992410 /nfs/dbraw/zinc/99/24/10/659992410.db2.gz UAMJYKAEWSQGJT-DYVFJYSZSA-N 1 0 319.470 3.044 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353521752 659995531 /nfs/dbraw/zinc/99/55/31/659995531.db2.gz SLCLPJRTEHGBNW-ATZDWAIDSA-N 1 0 324.472 3.287 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)CCN1Cc1ccccc1 ZINC000353533403 659995907 /nfs/dbraw/zinc/99/59/07/659995907.db2.gz RTVURHWKKUUXAN-SUMDDJOVSA-N 1 0 324.472 3.430 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000181386648 659997503 /nfs/dbraw/zinc/99/75/03/659997503.db2.gz TYGXYRYUHYGMNX-SMDDNHRTSA-N 1 0 306.793 3.128 10 0 DGAERO CC(C)(C)OCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000182127759 660034556 /nfs/dbraw/zinc/03/45/56/660034556.db2.gz UFZDCXGYVUTSAF-QGZVFWFLSA-N 1 0 319.445 3.257 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1c(C)noc1C ZINC000182404842 660051388 /nfs/dbraw/zinc/05/13/88/660051388.db2.gz UPOCXWJKTYOHRS-HUUCEWRRSA-N 1 0 310.344 3.344 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1c(C)noc1C ZINC000182404808 660051505 /nfs/dbraw/zinc/05/15/05/660051505.db2.gz UPOCXWJKTYOHRS-CABCVRRESA-N 1 0 310.344 3.344 10 0 DGAERO O=C(O[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000183184475 660104037 /nfs/dbraw/zinc/10/40/37/660104037.db2.gz MLTQNUOAPNTFSG-QGZVFWFLSA-N 1 0 314.360 3.042 10 0 DGAERO CSC[C@H](C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183201537 660104414 /nfs/dbraw/zinc/10/44/14/660104414.db2.gz QVDWBYCHMLZVMI-GOEBONIOSA-N 1 0 307.459 3.193 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1C ZINC000183236740 660105920 /nfs/dbraw/zinc/10/59/20/660105920.db2.gz SOYCXJUGOXKVFN-KRWDZBQOSA-N 1 0 319.445 3.287 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183247838 660106511 /nfs/dbraw/zinc/10/65/11/660106511.db2.gz PMACXJZOXOTCAK-ZGRWHYIRSA-N 1 0 317.429 3.183 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000183481208 660118593 /nfs/dbraw/zinc/11/85/93/660118593.db2.gz YDEXUBJDXOUBPM-LLVKDONJSA-N 1 0 306.841 3.369 10 0 DGAERO COc1ccc2c(C[NH2+][C@@H](C)C3CCCC3)cc(=O)oc2c1 ZINC000184631400 660177795 /nfs/dbraw/zinc/17/77/95/660177795.db2.gz ULVINVFNIMDSPP-LBPRGKRZSA-N 1 0 301.386 3.470 10 0 DGAERO COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)CCC(C)C)c1O ZINC000184708940 660182368 /nfs/dbraw/zinc/18/23/68/660182368.db2.gz CGOUEBVUZREQKE-INIZCTEOSA-N 1 0 315.841 3.331 10 0 DGAERO CN1CCC[C@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000040672785 661832298 /nfs/dbraw/zinc/83/22/98/661832298.db2.gz UFDQNJFLRAVVPH-SIWZUTFBSA-N 1 0 323.278 3.379 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)CCCSC(C)(C)C)CC[N@@H+]1C ZINC000155991733 661856351 /nfs/dbraw/zinc/85/63/51/661856351.db2.gz OLUHBJIIFWYQHQ-KBPBESRZSA-N 1 0 300.512 3.239 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000187754832 661902949 /nfs/dbraw/zinc/90/29/49/661902949.db2.gz DDSKLLZRESRDKO-KKUMJFAQSA-N 1 0 314.470 3.179 10 0 DGAERO COCc1cc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)ccc1OC ZINC000187845538 661905590 /nfs/dbraw/zinc/90/55/90/661905590.db2.gz SPLGWTYWBWWOTJ-CZUORRHYSA-N 1 0 307.434 3.450 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000187933914 661908526 /nfs/dbraw/zinc/90/85/26/661908526.db2.gz ZVICADVTMMDJMV-ABAIWWIYSA-N 1 0 312.797 3.231 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187987433 661910943 /nfs/dbraw/zinc/91/09/43/661910943.db2.gz DHECCSOLDUDBDO-WYMLVPIESA-N 1 0 304.409 3.172 10 0 DGAERO CCC[N@H+](CC1CCC2(CC1)OCCO2)C[C@H]1CCCCO1 ZINC000190294336 662026856 /nfs/dbraw/zinc/02/68/56/662026856.db2.gz JWZBWRJMVOOQPH-QGZVFWFLSA-N 1 0 311.466 3.201 10 0 DGAERO O=C1OCC[C@H]1CC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191244686 662057570 /nfs/dbraw/zinc/05/75/70/662057570.db2.gz ZCKUFPRBNDVOAN-CQSZACIVSA-N 1 0 315.335 3.394 10 0 DGAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)C12CCCC2 ZINC000192109807 662087932 /nfs/dbraw/zinc/08/79/32/662087932.db2.gz KHOFYHBNRZEGIH-HRCADAONSA-N 1 0 321.461 3.142 10 0 DGAERO COC(OC)[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000079628645 662115982 /nfs/dbraw/zinc/11/59/82/662115982.db2.gz RYSXZVVASNLYMI-QMMMGPOBSA-N 1 0 309.740 3.038 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000192951521 662116850 /nfs/dbraw/zinc/11/68/50/662116850.db2.gz OIXVJZVSTYKPFX-ZIAGYGMSSA-N 1 0 322.449 3.302 10 0 DGAERO OC1(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)CCCCC1 ZINC000193152131 662124283 /nfs/dbraw/zinc/12/42/83/662124283.db2.gz NVPJWUBIIYSURU-UHFFFAOYSA-N 1 0 323.864 3.319 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)o1 ZINC000193849525 662151396 /nfs/dbraw/zinc/15/13/96/662151396.db2.gz CZXUFTYNKRHDOF-ZDUSSCGKSA-N 1 0 307.438 3.211 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)nc2C)[C@H](C)C1 ZINC000194583149 662169201 /nfs/dbraw/zinc/16/92/01/662169201.db2.gz XQXGKTUXPAJEFU-RISCZKNCSA-N 1 0 324.856 3.237 10 0 DGAERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000195252450 662181777 /nfs/dbraw/zinc/18/17/77/662181777.db2.gz UHVNOYCKAWVBBB-AWEZNQCLSA-N 1 0 311.571 3.083 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(C(F)(F)F)s1 ZINC000717924128 662205732 /nfs/dbraw/zinc/20/57/32/662205732.db2.gz SMFZWPSGHGZUNZ-BDAKNGLRSA-N 1 0 306.353 3.038 10 0 DGAERO Cc1coc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000718031561 662214635 /nfs/dbraw/zinc/21/46/35/662214635.db2.gz RQAHWBXWUGIWQF-AWEZNQCLSA-N 1 0 308.422 3.467 10 0 DGAERO Cc1nc(C[NH2+][C@H](CO)CC(C)(C)C)sc1Br ZINC000719259580 662272226 /nfs/dbraw/zinc/27/22/26/662272226.db2.gz TXWJUAMEUPMBLJ-VIFPVBQESA-N 1 0 321.284 3.101 10 0 DGAERO C[C@@H](NC(=O)CC1CC([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000718090849 662222066 /nfs/dbraw/zinc/22/20/66/662222066.db2.gz IBHXPXLPUXOBBA-FKTRJACZSA-N 1 0 301.217 3.298 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1CC([NH3+])C1 ZINC000718090190 662222069 /nfs/dbraw/zinc/22/20/69/662222069.db2.gz AVKGDLNXGLCASY-UHFFFAOYSA-N 1 0 301.217 3.079 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccccc1SC(F)(F)F ZINC000089741846 662247365 /nfs/dbraw/zinc/24/73/65/662247365.db2.gz KIYSPBGGOSKJAY-SECBINFHSA-N 1 0 304.337 3.237 10 0 DGAERO Clc1sccc1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000718412084 662254616 /nfs/dbraw/zinc/25/46/16/662254616.db2.gz PUQYZTDWLUBQQE-RYUDHWBXSA-N 1 0 302.896 3.071 10 0 DGAERO COCC(C)(C)CC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000718705274 662260393 /nfs/dbraw/zinc/26/03/93/662260393.db2.gz AKNPLXQRGDDVHJ-UHFFFAOYSA-N 1 0 301.434 3.084 10 0 DGAERO COCC(C)(C)CC[NH2+]Cc1ncc(Br)s1 ZINC000718738723 662260889 /nfs/dbraw/zinc/26/08/89/662260889.db2.gz DPDIQOXISUUTNB-UHFFFAOYSA-N 1 0 307.257 3.058 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC000718731174 662260891 /nfs/dbraw/zinc/26/08/91/662260891.db2.gz FTDZDLXJVLJPQV-QLFBSQMISA-N 1 0 314.470 3.179 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000718738577 662261092 /nfs/dbraw/zinc/26/10/92/662261092.db2.gz ZBNQMJCQKBERJB-LSDHHAIUSA-N 1 0 314.470 3.181 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000718771768 662261332 /nfs/dbraw/zinc/26/13/32/662261332.db2.gz AVEIVXBOTGMOLE-BHIYHBOVSA-N 1 0 304.478 3.444 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000718804239 662262080 /nfs/dbraw/zinc/26/20/80/662262080.db2.gz ZDLREQOJAYGVSD-RTBURBONSA-N 1 0 313.445 3.369 10 0 DGAERO CC[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(Cl)s1 ZINC000090467035 662264546 /nfs/dbraw/zinc/26/45/46/662264546.db2.gz XAOQFUCXQIBGTM-NXEZZACHSA-N 1 0 307.868 3.019 10 0 DGAERO CC[NH+](CC)C[C@@H](C)NCc1nc(C)c(Br)s1 ZINC000719221494 662271528 /nfs/dbraw/zinc/27/15/28/662271528.db2.gz VLDWSDHFUMAAAF-SECBINFHSA-N 1 0 320.300 3.034 10 0 DGAERO CCCCOCCNCc1nc(C)c(Br)s1 ZINC000719280233 662272633 /nfs/dbraw/zinc/27/26/33/662272633.db2.gz UCVCIWFWMKPPEQ-UHFFFAOYSA-N 1 0 307.257 3.120 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)sc1Br ZINC000719285724 662272975 /nfs/dbraw/zinc/27/29/75/662272975.db2.gz CAMMGGJGBLBPBR-CNABLZDZSA-N 1 0 319.268 3.116 10 0 DGAERO Cc1nc(C[NH2+]CC2(C)CCOCC2)sc1Br ZINC000719326933 662274082 /nfs/dbraw/zinc/27/40/82/662274082.db2.gz KMIWZRSZANXCQN-UHFFFAOYSA-N 1 0 319.268 3.120 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cn1cc(-c3ccccc3)cn1)CC2 ZINC000246871958 662288467 /nfs/dbraw/zinc/28/84/67/662288467.db2.gz DNBJNYZUUUKHGQ-RBUKOAKNSA-N 1 0 311.429 3.135 10 0 DGAERO CCCCOC(=O)CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247543100 662325163 /nfs/dbraw/zinc/32/51/63/662325163.db2.gz PHCSJGWNZIJLKP-ZWKOTPCHSA-N 1 0 319.445 3.308 10 0 DGAERO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247702159 662327281 /nfs/dbraw/zinc/32/72/81/662327281.db2.gz YCPWCUBWOMDCHV-DJIMGWMZSA-N 1 0 319.445 3.305 10 0 DGAERO CC[C@@H](C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000248266638 662338782 /nfs/dbraw/zinc/33/87/82/662338782.db2.gz YCQGARTUSIVJST-ZWKOTPCHSA-N 1 0 319.445 3.080 10 0 DGAERO CC[C@@H]1C[C@@H](C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000248556990 662353585 /nfs/dbraw/zinc/35/35/85/662353585.db2.gz LTBQFZKLACABAQ-KSZLIROESA-N 1 0 317.429 3.009 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3C=CCCC3)C[C@H]12 ZINC000248617790 662355261 /nfs/dbraw/zinc/35/52/61/662355261.db2.gz SCFSNJISBSUGFI-LVQVYYBASA-N 1 0 306.450 3.330 10 0 DGAERO Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000228636100 685119013 /nfs/dbraw/zinc/11/90/13/685119013.db2.gz DPDCLDOBBPLFOV-AATRIKPKSA-N 1 0 308.397 3.305 10 0 DGAERO CC[S@](=O)CC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000381416879 685157927 /nfs/dbraw/zinc/15/79/27/685157927.db2.gz WIFDFAMTRGDOIS-FVMDXXJSSA-N 1 0 324.309 3.238 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CCO1 ZINC000379627909 685149533 /nfs/dbraw/zinc/14/95/33/685149533.db2.gz NBOJPAKEADLIFO-NZSAHSFTSA-N 1 0 302.462 3.198 10 0 DGAERO COc1ccc(C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000381771375 685160128 /nfs/dbraw/zinc/16/01/28/685160128.db2.gz PXMKJRPDVLBYPD-UONOGXRCSA-N 1 0 322.449 3.395 10 0 DGAERO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000381948016 685160868 /nfs/dbraw/zinc/16/08/68/685160868.db2.gz AMLVZSSGMYPZBZ-HZSPNIEDSA-N 1 0 314.495 3.117 10 0 DGAERO c1ccc(CN2CCO[C@@H](C[NH2+][C@@H]3CC4CCC3CC4)C2)cc1 ZINC000382051222 685161332 /nfs/dbraw/zinc/16/13/32/685161332.db2.gz WKBJLDKIQPCMNH-DXBWTPJFSA-N 1 0 314.473 3.056 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)C1CC1 ZINC000382041077 685161611 /nfs/dbraw/zinc/16/16/11/685161611.db2.gz UJPIYYXWZURPQE-GMEATFMZSA-N 1 0 308.466 3.458 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000382035275 685161803 /nfs/dbraw/zinc/16/18/03/685161803.db2.gz GCZCWQCJHQDMBV-LZWOXQAQSA-N 1 0 319.449 3.426 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000389823190 685197678 /nfs/dbraw/zinc/19/76/78/685197678.db2.gz MHDNPLWUZIMIFS-OWYFMNJBSA-N 1 0 308.466 3.410 10 0 DGAERO CCC[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390105401 685198694 /nfs/dbraw/zinc/19/86/94/685198694.db2.gz IUKPQAYCMUKAMT-CABCVRRESA-N 1 0 314.470 3.038 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@H]1C ZINC000390053047 685199192 /nfs/dbraw/zinc/19/91/92/685199192.db2.gz GZDRGFJRJBSBIS-CBBWQLFWSA-N 1 0 308.466 3.410 10 0 DGAERO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000397859687 685233195 /nfs/dbraw/zinc/23/31/95/685233195.db2.gz WXBKRGJQQMDXLI-UKRRQHHQSA-N 1 0 308.466 3.435 10 0 DGAERO CC(C)[C@H](C[NH2+][C@H](C)CC1CC1)ONC(=O)OC(C)(C)C ZINC000398864616 1176051999 /nfs/dbraw/zinc/05/19/99/1176051999.db2.gz MNXHJSWKXOTQOK-OCCSQVGLSA-N 1 0 300.443 3.246 10 0 DGAERO COc1ccc(C[NH2+]CCOCc2ccccc2)c(OC)c1 ZINC000080244580 1176242220 /nfs/dbraw/zinc/24/22/20/1176242220.db2.gz YQJCYKUCJVFYGH-UHFFFAOYSA-N 1 0 301.386 3.010 10 0 DGAERO CC(C)CCOCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389811641 1176255130 /nfs/dbraw/zinc/25/51/30/1176255130.db2.gz GEUDIQLNSTUFMN-PKOBYXMFSA-N 1 0 304.478 3.159 10 0 DGAERO Cc1csc(CC[NH2+]Cc2ncc(Br)s2)n1 ZINC000390477173 1176281604 /nfs/dbraw/zinc/28/16/04/1176281604.db2.gz LFMWNVIBUCUOJU-UHFFFAOYSA-N 1 0 318.265 3.003 10 0 DGAERO C=CCOc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)cc1Cl ZINC000133353487 1176528265 /nfs/dbraw/zinc/52/82/65/1176528265.db2.gz NGBVGDNLVXBSMJ-FKIZINRSSA-N 1 0 315.866 3.152 10 0 DGAERO Cc1n[nH]c(CC[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)n1 ZINC000392348639 1176581566 /nfs/dbraw/zinc/58/15/66/1176581566.db2.gz HYNPJDQACQDFDD-UHFFFAOYSA-N 1 0 319.623 3.406 10 0 DGAERO Cc1csc(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000379623639 1176800037 /nfs/dbraw/zinc/80/00/37/1176800037.db2.gz IKYFPGSENPCFFC-OAHLLOKOSA-N 1 0 303.475 3.452 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)[C@H](C)O1 ZINC000379632418 1176801285 /nfs/dbraw/zinc/80/12/85/1176801285.db2.gz SLIWBSKZABOXBV-NEPXVJNWSA-N 1 0 302.462 3.197 10 0 DGAERO C[C@H](O)CCC[NH2+]C1CC(c2ccccc2Br)C1 ZINC000227589936 1176956762 /nfs/dbraw/zinc/95/67/62/1176956762.db2.gz UTYMQXYIRLAUAH-HIFPTAJRSA-N 1 0 312.251 3.446 10 0 DGAERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000398352428 1177018223 /nfs/dbraw/zinc/01/82/23/1177018223.db2.gz UASPAQRCUQGTGH-MNZLEMJZSA-N 1 0 323.396 3.446 10 0 DGAERO O=[N+]([O-])c1sccc1N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398406546 1177019167 /nfs/dbraw/zinc/01/91/67/1177019167.db2.gz QIRALHLTFRMXPJ-NHAGDIPZSA-N 1 0 315.398 3.199 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1ccc(Br)c(C)c1 ZINC000398465209 1177019614 /nfs/dbraw/zinc/01/96/14/1177019614.db2.gz LNTLTXPYAPODML-ZDUSSCGKSA-N 1 0 300.240 3.398 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1cc(Br)ccc1F ZINC000398467929 1177019740 /nfs/dbraw/zinc/01/97/40/1177019740.db2.gz NQDLJVHHJKKTKN-GFCCVEGCSA-N 1 0 304.203 3.229 10 0 DGAERO Clc1cccc(Cl)c1C[NH2+]CCCO[C@H]1CCOC1 ZINC000152942746 1177214904 /nfs/dbraw/zinc/21/49/04/1177214904.db2.gz MMFVOTAWBYSMGX-NSHDSACASA-N 1 0 304.217 3.279 10 0 DGAERO Cc1c(C[NH2+]CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000380915709 1177334334 /nfs/dbraw/zinc/33/43/34/1177334334.db2.gz RUKIKFGFNXGBLG-UHFFFAOYSA-N 1 0 300.358 3.210 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000085356177 1177644745 /nfs/dbraw/zinc/64/47/45/1177644745.db2.gz BMIIEWWBHBCOIL-VXGBXAGGSA-N 1 0 302.296 3.041 10 0 DGAERO COc1cccc(CC[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000060999025 1195168818 /nfs/dbraw/zinc/16/88/18/1195168818.db2.gz XMXRSDZXRVQXER-UHFFFAOYSA-N 1 0 321.424 3.272 10 0 DGAERO Fc1ccc(CC[NH2+]CCc2nnc(-c3ccccc3)o2)cc1 ZINC000062653150 1195260901 /nfs/dbraw/zinc/26/09/01/1195260901.db2.gz VVPUGGAHZGZPRG-UHFFFAOYSA-N 1 0 311.360 3.251 10 0 DGAERO Cc1nn(C)c(Cl)c1C[NH2+]CCCCOCc1ccccc1 ZINC000065275894 1195398843 /nfs/dbraw/zinc/39/88/43/1195398843.db2.gz GAOKMCYEZXVRHY-UHFFFAOYSA-N 1 0 321.852 3.469 10 0 DGAERO CN(CC[NH2+]Cc1ccc(-n2cccn2)cc1)Cc1ccccc1 ZINC000067221932 1195607845 /nfs/dbraw/zinc/60/78/45/1195607845.db2.gz HYBXMSRITRONHI-UHFFFAOYSA-N 1 0 320.440 3.094 10 0 DGAERO FC(F)(F)COCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000070167222 1195851269 /nfs/dbraw/zinc/85/12/69/1195851269.db2.gz QAYWJVCGAZGXMH-UHFFFAOYSA-N 1 0 317.229 3.254 10 0 DGAERO c1ccc(CC[NH2+]Cc2cccc(OCc3ccccn3)c2)nc1 ZINC000078876304 1196808116 /nfs/dbraw/zinc/80/81/16/1196808116.db2.gz JNPZSOKBAWOJOV-UHFFFAOYSA-N 1 0 319.408 3.388 10 0 DGAERO C[C@@H](CCNCc1cnn2ccccc12)[N@H+](C)Cc1ccccc1 ZINC000080234663 1197050983 /nfs/dbraw/zinc/05/09/83/1197050983.db2.gz IRDAGIOIHASBCD-KRWDZBQOSA-N 1 0 322.456 3.335 10 0 DGAERO C[C@@H](Cc1ccsc1)N(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000081477438 1197223950 /nfs/dbraw/zinc/22/39/50/1197223950.db2.gz KISMVRHMNCDUBO-HNNXBMFYSA-N 1 0 323.506 3.052 10 0 DGAERO CC(C)OCCCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000378961127 1197702029 /nfs/dbraw/zinc/70/20/29/1197702029.db2.gz XHDWKVSKBYHQPB-UHFFFAOYSA-N 1 0 301.434 3.226 10 0 DGAERO CC(C)n1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000381770624 1197705099 /nfs/dbraw/zinc/70/50/99/1197705099.db2.gz ROUWPKBWJADWRS-UHFFFAOYSA-N 1 0 312.461 3.218 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCOc1ccccc1 ZINC000389860530 1197711300 /nfs/dbraw/zinc/71/13/00/1197711300.db2.gz GRFYEWRNNYMFLE-FXAWDEMLSA-N 1 0 310.441 3.176 10 0 DGAERO CC(C)(C)c1cc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ncn1 ZINC000390698287 1197713737 /nfs/dbraw/zinc/71/37/37/1197713737.db2.gz ITMDHSXGGWOZQB-QGZVFWFLSA-N 1 0 324.472 3.273 10 0 DGAERO Cc1ccnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000392836997 1197718489 /nfs/dbraw/zinc/71/84/89/1197718489.db2.gz KPIHAIJXRJYVKY-LSDHHAIUSA-N 1 0 319.449 3.316 10 0 DGAERO CCc1cnc(CNCCC[N@H+](C)Cc2ccccc2)s1 ZINC000394918594 1197721725 /nfs/dbraw/zinc/72/17/25/1197721725.db2.gz QZMVEBQWOYQDGQ-UHFFFAOYSA-N 1 0 303.475 3.317 10 0 DGAERO CC(C)[C@H](C[NH2+]CCC(C)(C)C)ONC(=O)OC(C)(C)C ZINC000398723602 1197724223 /nfs/dbraw/zinc/72/42/23/1197724223.db2.gz ZKVYUXMRMVTVHQ-ZDUSSCGKSA-N 1 0 302.459 3.493 10 0 DGAERO Fc1cc(Br)cc(C[NH2+]CCc2ccncc2)c1 ZINC000093981811 1198743445 /nfs/dbraw/zinc/74/34/45/1198743445.db2.gz GYYXJPMBJBTPLQ-UHFFFAOYSA-N 1 0 309.182 3.316 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(C(F)(F)F)cc1Cl ZINC000301295447 1199428166 /nfs/dbraw/zinc/42/81/66/1199428166.db2.gz RXTSQTFQAWHWPO-ONGXEEELSA-N 1 0 319.758 3.427 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)(C)C ZINC000401972364 1199428291 /nfs/dbraw/zinc/42/82/91/1199428291.db2.gz OETXVFPPMVXRGO-GDBMZVCRSA-N 1 0 304.434 3.422 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CN(C(=O)OC(C)(C)C)C1 ZINC000403384119 1199491590 /nfs/dbraw/zinc/49/15/90/1199491590.db2.gz GBELWIVUGYLJFR-QCODTGAPSA-N 1 0 308.466 3.410 10 0 DGAERO c1sc(-c2ccccn2)nc1C[NH2+]CCOc1ccccc1 ZINC000124204693 1199521071 /nfs/dbraw/zinc/52/10/71/1199521071.db2.gz YGUPOFVSBQKZBM-UHFFFAOYSA-N 1 0 311.410 3.374 10 0 DGAERO CCCn1cncc1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000303211470 1199588009 /nfs/dbraw/zinc/58/80/09/1199588009.db2.gz WWMRYPISMUPCFM-SFHVURJKSA-N 1 0 312.461 3.047 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1cc(Br)ccc1F ZINC000304260798 1199639152 /nfs/dbraw/zinc/63/91/52/1199639152.db2.gz BSOFPSDISYZART-UHFFFAOYSA-N 1 0 318.230 3.477 10 0 DGAERO Brc1sccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000388756824 1199640233 /nfs/dbraw/zinc/64/02/33/1199640233.db2.gz RRQVHDBFZISLHS-SECBINFHSA-N 1 0 324.334 3.449 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1ccccc1Br ZINC000304289012 1199642051 /nfs/dbraw/zinc/64/20/51/1199642051.db2.gz JBCWTCQVVHAYEU-UHFFFAOYSA-N 1 0 300.240 3.337 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1ccc(Br)cc1 ZINC000304282910 1199642198 /nfs/dbraw/zinc/64/21/98/1199642198.db2.gz HSXPOUKXIDFTRG-UHFFFAOYSA-N 1 0 300.240 3.337 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(I)cc1 ZINC000307186235 1199700078 /nfs/dbraw/zinc/70/00/78/1199700078.db2.gz LLNABGZIZOSLJD-SKDRFNHKSA-N 1 0 301.171 3.179 10 0 DGAERO c1[nH]nc2cc(C[NH2+][C@@H]3CCCN(c4ccccc4)C3)ccc12 ZINC000115621636 1199756574 /nfs/dbraw/zinc/75/65/74/1199756574.db2.gz SXXRGAHHAUGKQB-QGZVFWFLSA-N 1 0 306.413 3.322 10 0 DGAERO c1cc(-c2nc(C[NH2+]CCOC[C@H]3CCCO3)cs2)cs1 ZINC000115625401 1199756867 /nfs/dbraw/zinc/75/68/67/1199756867.db2.gz BJMRPFDCJNQSBN-CQSZACIVSA-N 1 0 324.471 3.157 10 0 DGAERO C=CCCOCC[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000120830912 1200172989 /nfs/dbraw/zinc/17/29/89/1200172989.db2.gz YFLFTLYNQAMNBG-UHFFFAOYSA-N 1 0 319.836 3.423 10 0 DGAERO c1nc(CC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cs1 ZINC000130259360 1200909251 /nfs/dbraw/zinc/90/92/51/1200909251.db2.gz JCCFXGYQPHTDJJ-QGZVFWFLSA-N 1 0 318.442 3.033 10 0 DGAERO c1cc(N2CCCC2)ncc1C[NH2+]CCCOC1CCCC1 ZINC000131790299 1201159590 /nfs/dbraw/zinc/15/95/90/1201159590.db2.gz RRJZVADCRHYELT-UHFFFAOYSA-N 1 0 303.450 3.121 10 0 DGAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCc1cc2ccccc2[nH]1 ZINC000135934761 1201207300 /nfs/dbraw/zinc/20/73/00/1201207300.db2.gz VJQSBHPBROWNEV-UHFFFAOYSA-N 1 0 317.396 3.285 10 0 DGAERO CCCCCOCC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193419478 1201271688 /nfs/dbraw/zinc/27/16/88/1201271688.db2.gz PCQHSYLGHFDPRQ-SFHVURJKSA-N 1 0 314.429 3.163 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CCc1cccnc1 ZINC000151373954 1202592366 /nfs/dbraw/zinc/59/23/66/1202592366.db2.gz JAJANPVGGJFUEM-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO CCc1cc2c(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)cc(=O)oc2cc1O ZINC000152716988 1202595071 /nfs/dbraw/zinc/59/50/71/1202595071.db2.gz GHAXQSNYXVUVEF-OKILXGFUSA-N 1 0 313.397 3.293 10 0 DGAERO Clc1cccc(C[NH2+]CCCO[C@H]2CCOC2)c1Cl ZINC000152962229 1202595695 /nfs/dbraw/zinc/59/56/95/1202595695.db2.gz VLUNVGOPGFLVSR-LBPRGKRZSA-N 1 0 304.217 3.279 10 0 DGAERO CC1CC[NH+](CCN2CCC(Oc3ccccc3)CC2)CC1 ZINC000153488584 1202596509 /nfs/dbraw/zinc/59/65/09/1202596509.db2.gz VDYJTQSQPORSCZ-UHFFFAOYSA-N 1 0 302.462 3.262 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000155040152 1202598411 /nfs/dbraw/zinc/59/84/11/1202598411.db2.gz PRYDQJBKJCSXAL-UHFFFAOYSA-N 1 0 310.482 3.154 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000231359333 1202599223 /nfs/dbraw/zinc/59/92/23/1202599223.db2.gz OLKNZQHELNTKOB-HNNXBMFYSA-N 1 0 319.449 3.127 10 0 DGAERO C=CCN1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000236643162 1202616323 /nfs/dbraw/zinc/61/63/23/1202616323.db2.gz WWUBQUJEEAIAMZ-UHFFFAOYSA-N 1 0 315.280 3.251 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186776355 1202958731 /nfs/dbraw/zinc/95/87/31/1202958731.db2.gz FRESYHWUMQDKBE-TVQRCGJNSA-N 1 0 306.793 3.122 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C)c(Br)c1 ZINC000164029548 1203612256 /nfs/dbraw/zinc/61/22/56/1203612256.db2.gz XRWDHNXCJBFRSY-CQSZACIVSA-N 1 0 311.267 3.331 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC000246218246 1203720139 /nfs/dbraw/zinc/72/01/39/1203720139.db2.gz OQRBVFHUKCYLKL-ZBFHGGJFSA-N 1 0 323.506 3.195 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000255753521 1203853947 /nfs/dbraw/zinc/85/39/47/1203853947.db2.gz FYXKQNNXQYAZLT-KTWGLELUSA-N 1 0 316.445 3.040 10 0 DGAERO CCCCOc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1OC ZINC000171765674 1203854704 /nfs/dbraw/zinc/85/47/04/1203854704.db2.gz SDXJNVUMWZUTAU-MRXNPFEDSA-N 1 0 318.461 3.200 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000176869828 1203943198 /nfs/dbraw/zinc/94/31/98/1203943198.db2.gz FYXKQNNXQYAZLT-DVINNUGASA-N 1 0 316.445 3.040 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000262516445 1204323431 /nfs/dbraw/zinc/32/34/31/1204323431.db2.gz NOYLKPVCQDBZRZ-VHSXEESVSA-N 1 0 318.314 3.092 10 0 DGAERO CSc1ccc(OCCN[C@H](c2nc(C)no2)C(C)C)cc1 ZINC000179853097 1204323596 /nfs/dbraw/zinc/32/35/96/1204323596.db2.gz FSXZBCICPADOBD-HNNXBMFYSA-N 1 0 321.446 3.466 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000262571179 1204326257 /nfs/dbraw/zinc/32/62/57/1204326257.db2.gz XLVCRWJLKRYZTJ-PWSUYJOCSA-N 1 0 315.339 3.344 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C)c(Br)c1 ZINC000164029448 1203612227 /nfs/dbraw/zinc/61/22/27/1203612227.db2.gz XRWDHNXCJBFRSY-AWEZNQCLSA-N 1 0 311.267 3.331 10 0 DGAERO CC1([NH2+]Cc2cccc(I)c2)CC=CC1 ZINC000705426604 1081663453 /nfs/dbraw/zinc/66/34/53/1081663453.db2.gz RYSABUIVSLICEO-UHFFFAOYSA-N 1 0 313.182 3.490 10 0 DGAERO c1[nH]nc2c1cccc2C[NH2+]CCCOCCc1ccccc1 ZINC000084016183 1081709835 /nfs/dbraw/zinc/70/98/35/1081709835.db2.gz SJTGOUSRCZTDOG-UHFFFAOYSA-N 1 0 309.413 3.302 10 0 DGAERO CCC[C@@H]([NH2+]Cc1nn(C)cc1Br)[C@H]1CC1(C)C ZINC000397655779 1081963193 /nfs/dbraw/zinc/96/31/93/1081963193.db2.gz BRPGLXGLCHBFMN-ZYHUDNBSSA-N 1 0 314.271 3.487 10 0 DGAERO CCC[C@H]([NH2+]Cc1nn(C)cc1Br)[C@H]1CC1(C)C ZINC000397655778 1081963209 /nfs/dbraw/zinc/96/32/09/1081963209.db2.gz BRPGLXGLCHBFMN-PWSUYJOCSA-N 1 0 314.271 3.487 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@H](O)C2CCCCC2)cc1OC ZINC000069170815 1081968691 /nfs/dbraw/zinc/96/86/91/1081968691.db2.gz PTPSUHCTNLHFAK-KRWDZBQOSA-N 1 0 319.445 3.291 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCCC2(F)F)C1 ZINC000398148582 1082099700 /nfs/dbraw/zinc/09/97/00/1082099700.db2.gz OTSPYEUGWXOPEE-STQMWFEESA-N 1 0 318.408 3.411 10 0 DGAERO Cc1csc(CC[NH2+]Cc2cnn(Cc3ccccc3)c2)n1 ZINC000075780405 1082099820 /nfs/dbraw/zinc/09/98/20/1082099820.db2.gz JJLSZMAUTOWVIT-UHFFFAOYSA-N 1 0 312.442 3.029 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1ccc(F)cc1Br ZINC000398508080 1082161495 /nfs/dbraw/zinc/16/14/95/1082161495.db2.gz NICCOLKLGZISDE-LBPRGKRZSA-N 1 0 304.203 3.229 10 0 DGAERO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)ONC(=O)OC(C)(C)C ZINC000398684045 1082193682 /nfs/dbraw/zinc/19/36/82/1082193682.db2.gz LPBYGMWDHCFJGA-BARDWOONSA-N 1 0 312.454 3.246 10 0 DGAERO CC(C)[C@@H](C[NH2+][C@H](C)C1CCC1)ONC(=O)OC(C)(C)C ZINC000398836455 1082222060 /nfs/dbraw/zinc/22/20/60/1082222060.db2.gz NIWDOADAOZFXGF-TZMCWYRMSA-N 1 0 300.443 3.246 10 0 DGAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\C(C)(C)C)[C@H](C)C1 ZINC000588498026 1082493524 /nfs/dbraw/zinc/49/35/24/1082493524.db2.gz YKYMIRREICJLFB-AMCSTGOPSA-N 1 0 324.509 3.232 10 0 DGAERO O=C(/C=C\c1cccs1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000255126505 1082649951 /nfs/dbraw/zinc/64/99/51/1082649951.db2.gz APYZUTGHGHQGEL-LZNQSLFOSA-N 1 0 304.459 3.142 10 0 DGAERO O=C(/C=C\c1cccs1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000255126506 1082649966 /nfs/dbraw/zinc/64/99/66/1082649966.db2.gz APYZUTGHGHQGEL-ZPIQOJFGSA-N 1 0 304.459 3.142 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)CCN1Cc1ccccc1 ZINC000708393225 1082767918 /nfs/dbraw/zinc/76/79/18/1082767918.db2.gz RQCSSIGCDDMZBK-NZSAHSFTSA-N 1 0 316.489 3.444 10 0 DGAERO CCN1CC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000712602457 1085764105 /nfs/dbraw/zinc/76/41/05/1085764105.db2.gz AXVRGPIZCGBUSQ-GFCCVEGCSA-N 1 0 317.658 3.286 10 0 DGAERO CCC1([NH3+])CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000714763343 1087427723 /nfs/dbraw/zinc/42/77/23/1087427723.db2.gz BJHXZEHNSBLSHE-UHFFFAOYSA-N 1 0 312.866 3.162 10 0 DGAERO Cc1c2ccccc2sc1[C@@H](C)[NH2+]CC1(O)CCOCC1 ZINC000162601102 1090860696 /nfs/dbraw/zinc/86/06/96/1090860696.db2.gz VVYBNXHGPOOKHC-CYBMUJFWSA-N 1 0 305.443 3.402 10 0 DGAERO O=C(NCC1CC1)C1([NH2+]CCSc2ccccc2)CCCC1 ZINC000085937646 1091783666 /nfs/dbraw/zinc/78/36/66/1091783666.db2.gz BCDNCATYQFOJES-UHFFFAOYSA-N 1 0 318.486 3.207 10 0 DGAERO CN1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000167105609 1093260599 /nfs/dbraw/zinc/26/05/99/1093260599.db2.gz PKCIAYVJBJLWHT-ZDUSSCGKSA-N 1 0 304.331 3.418 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000175943590 1093592514 /nfs/dbraw/zinc/59/25/14/1093592514.db2.gz JVBDDKNUHWDYHG-LSDHHAIUSA-N 1 0 323.506 3.195 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1ccc(Br)cc1F ZINC000304275398 1093880340 /nfs/dbraw/zinc/88/03/40/1093880340.db2.gz FVDIYLVCAVPQLP-UHFFFAOYSA-N 1 0 318.230 3.477 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000401688542 1093965023 /nfs/dbraw/zinc/96/50/23/1093965023.db2.gz YXGIHJNYXIZMTE-IJEWVQPXSA-N 1 0 319.449 3.378 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401750898 1093970043 /nfs/dbraw/zinc/97/00/43/1093970043.db2.gz XTRYLJSSKPLYEK-HZSPNIEDSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401748492 1093970261 /nfs/dbraw/zinc/97/02/61/1093970261.db2.gz LVLYQMAFIOYUAX-YPMHNXCESA-N 1 0 318.408 3.267 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401791935 1093972372 /nfs/dbraw/zinc/97/23/72/1093972372.db2.gz WYVNCNRQFNJNCC-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO CCOC(C)(C)C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401832090 1093974259 /nfs/dbraw/zinc/97/42/59/1093974259.db2.gz JYIQQVGYHONAMM-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000403776523 1094180902 /nfs/dbraw/zinc/18/09/02/1094180902.db2.gz ZYSJEDAOTRIVCM-OOKSDGMUSA-N 1 0 302.487 3.277 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000404652109 1094263952 /nfs/dbraw/zinc/26/39/52/1094263952.db2.gz RLLDMRGGONVKRS-UHFFFAOYSA-N 1 0 308.466 3.460 10 0 DGAERO Cc1ccncc1C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404742961 1094267276 /nfs/dbraw/zinc/26/72/76/1094267276.db2.gz CJTFYCOWLCTMNC-UHFFFAOYSA-N 1 0 319.449 3.175 10 0 DGAERO C[C@@H]([NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)c1ccccn1 ZINC000404772330 1094268211 /nfs/dbraw/zinc/26/82/11/1094268211.db2.gz XHYZUKMNCDUQRW-CQSZACIVSA-N 1 0 319.449 3.427 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C12CCC2 ZINC000405207933 1094308816 /nfs/dbraw/zinc/30/88/16/1094308816.db2.gz GXYNWZOCCDLAKP-QWRGUYRKSA-N 1 0 322.371 3.364 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC000309883932 1094834509 /nfs/dbraw/zinc/83/45/09/1094834509.db2.gz YCJNOFNORBOLKC-GOEBONIOSA-N 1 0 319.449 3.173 10 0 DGAERO C[C@H](F)CC[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720776405 1095776950 /nfs/dbraw/zinc/77/69/50/1095776950.db2.gz WBHGPDDDJDSGMT-HOCLYGCPSA-N 1 0 308.397 3.125 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720866423 1096071602 /nfs/dbraw/zinc/07/16/02/1096071602.db2.gz TVOKQYZWRZOYDM-CEXWTWQISA-N 1 0 316.489 3.444 10 0 DGAERO CCC[NH2+][C@@H](C)CCNC(=O)c1cc(F)c(Cl)cc1F ZINC000722019695 1098390865 /nfs/dbraw/zinc/39/08/65/1098390865.db2.gz KYDKBFYDANSLMP-VIFPVBQESA-N 1 0 304.768 3.126 10 0 DGAERO CC(C)[NH2+]C[C@H](C)N(C)C(=O)c1cc(F)c(Cl)cc1F ZINC000722036914 1098434403 /nfs/dbraw/zinc/43/44/03/1098434403.db2.gz MYXZBBYHCJZNEG-VIFPVBQESA-N 1 0 304.768 3.077 10 0 DGAERO Cc1coc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1 ZINC000718121951 1104521971 /nfs/dbraw/zinc/52/19/71/1104521971.db2.gz JBGIMANODYHAPP-AWEZNQCLSA-N 1 0 308.422 3.466 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]C2CC(c3ccccc3Br)C2)CCN1C ZINC000719571062 1104951361 /nfs/dbraw/zinc/95/13/61/1104951361.db2.gz QYMXATRFAKZQGB-OCLKLICZSA-N 1 0 323.278 3.377 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000724056599 1106601409 /nfs/dbraw/zinc/60/14/09/1106601409.db2.gz FKEBILKLZXUHON-VXNVDRBHSA-N 1 0 318.311 3.051 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000382035280 1108126228 /nfs/dbraw/zinc/12/62/28/1108126228.db2.gz GCZCWQCJHQDMBV-OFQRWUPVSA-N 1 0 319.449 3.426 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2CCOC2(C)C)cc1Br ZINC000382211969 1108136214 /nfs/dbraw/zinc/13/62/14/1108136214.db2.gz LGIZBQZTUQJKRC-LLVKDONJSA-N 1 0 304.253 3.476 10 0 DGAERO CC1CCN(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000383170580 1108180657 /nfs/dbraw/zinc/18/06/57/1108180657.db2.gz YCZNRNWKHJSNBI-QGZVFWFLSA-N 1 0 315.461 3.045 10 0 DGAERO CC/C=C/C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000384698803 1108305209 /nfs/dbraw/zinc/30/52/09/1108305209.db2.gz ACIJKFCWNSKZCE-ONEGZZNKSA-N 1 0 312.207 3.276 10 0 DGAERO CC/C=C\C[NH2+]Cc1cccc(I)c1 ZINC000384745611 1108309633 /nfs/dbraw/zinc/30/96/33/1108309633.db2.gz MWXGCTNDSHAIIX-ARJAWSKDSA-N 1 0 301.171 3.347 10 0 DGAERO [NH3+]CC1(CCNC(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 ZINC000700938471 1108879154 /nfs/dbraw/zinc/87/91/54/1108879154.db2.gz NFXRPWWFQQLRMZ-OWOJBTEDSA-N 1 0 313.228 3.252 10 0 DGAERO Cc1nc2ccccc2nc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195513316 282081774 /nfs/dbraw/zinc/08/17/74/282081774.db2.gz KHCMWAJXGQXDFR-UHFFFAOYSA-N 1 0 321.428 3.051 10 0 DGAERO CC[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc(C)cc1 ZINC000061795799 432002055 /nfs/dbraw/zinc/00/20/55/432002055.db2.gz QTGLTATVHWKHGB-SFHVURJKSA-N 1 0 315.461 3.326 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)[C@H](C)C1 ZINC000129271072 432003613 /nfs/dbraw/zinc/00/36/13/432003613.db2.gz PVPIFYJXIMMJIU-SIRPWMCASA-N 1 0 309.498 3.183 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc(C2CCCC2)nc1C ZINC000079337845 185165615 /nfs/dbraw/zinc/16/56/15/185165615.db2.gz GCVQNTAMVPRPTA-AWEZNQCLSA-N 1 0 321.490 3.323 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Cl)c1 ZINC000173333024 529405913 /nfs/dbraw/zinc/40/59/13/529405913.db2.gz KRGHKFWBTWWWJN-HUUCEWRRSA-N 1 0 307.825 3.431 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000082340835 185176573 /nfs/dbraw/zinc/17/65/73/185176573.db2.gz FYSXPJDDFFLUNI-UHFFFAOYSA-N 1 0 301.217 3.160 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)N(C)CC1CC1 ZINC000441338449 529424152 /nfs/dbraw/zinc/42/41/52/529424152.db2.gz WUWWXILJFFPLMV-GOSISDBHSA-N 1 0 302.462 3.116 10 0 DGAERO Cc1cc(C)c([C@H](O)[C@@H]2CCC[NH2+]C2)c(C)c1Br ZINC000083161605 185215180 /nfs/dbraw/zinc/21/51/80/185215180.db2.gz UWVZTXOKGGTLOW-IUODEOHRSA-N 1 0 312.251 3.407 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)CCOCC2CC2)cc1 ZINC000088599361 185259383 /nfs/dbraw/zinc/25/93/83/185259383.db2.gz QBXYAIOCQJDUSS-UHFFFAOYSA-N 1 0 322.474 3.319 10 0 DGAERO COc1cc(C[NH2+][C@H]2CC=CCC2)cc(Br)c1O ZINC000088747908 185263947 /nfs/dbraw/zinc/26/39/47/185263947.db2.gz JUZCPLDXVQTWAS-NSHDSACASA-N 1 0 312.207 3.362 10 0 DGAERO CC[N@@H+]1CC[C@@H](NCc2ccccc2OC2CCC2)[C@H](C)C1 ZINC000090027363 185279031 /nfs/dbraw/zinc/27/90/31/185279031.db2.gz CQCWQEQKUONZQF-CRAIPNDOSA-N 1 0 302.462 3.438 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(OC)c1F ZINC000090370372 185293055 /nfs/dbraw/zinc/29/30/55/185293055.db2.gz JVIJJFXYWMVDKP-ZDUSSCGKSA-N 1 0 310.413 3.075 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(OC(F)F)c1 ZINC000090515743 185299970 /nfs/dbraw/zinc/29/99/70/185299970.db2.gz PGTZPWQRGRJQJD-SULUTDIPSA-N 1 0 305.390 3.096 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(Br)cc1 ZINC000090515763 185299982 /nfs/dbraw/zinc/29/99/82/185299982.db2.gz LGXYZVKEIGJVQE-PSVSLLHZSA-N 1 0 318.280 3.257 10 0 DGAERO Cc1cc(C)n(CC2CC[NH+](Cc3cn4ccccc4n3)CC2)n1 ZINC000090474296 185298296 /nfs/dbraw/zinc/29/82/96/185298296.db2.gz CENXJJVKIANAAS-UHFFFAOYSA-N 1 0 323.444 3.060 10 0 DGAERO C[C@H](CO)[C@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000166905478 197701445 /nfs/dbraw/zinc/70/14/45/197701445.db2.gz JGDKCEJYKCVRDW-VQJJSBSSSA-N 1 0 312.251 3.302 10 0 DGAERO Cc1cccn2c(CN3CCCC[C@@H]([NH+]4CCCC4)C3)cnc12 ZINC000092785733 185341084 /nfs/dbraw/zinc/34/10/84/185341084.db2.gz BRUOVXGLTVASOO-QGZVFWFLSA-N 1 0 312.461 3.093 10 0 DGAERO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788492 185341279 /nfs/dbraw/zinc/34/12/79/185341279.db2.gz RIBGXLOEVGYMJY-LLVKDONJSA-N 1 0 324.881 3.472 10 0 DGAERO C[C@H]1CCC[C@@H](C[NH+]2CCC(N(C)c3cccnn3)CC2)C1 ZINC000092796276 185342091 /nfs/dbraw/zinc/34/20/91/185342091.db2.gz ZYSVFBSOFFDFSZ-JKSUJKDBSA-N 1 0 302.466 3.204 10 0 DGAERO c1cc(C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)n[nH]1 ZINC000092811047 185342703 /nfs/dbraw/zinc/34/27/03/185342703.db2.gz UNXOKEFMHNQRKG-UHFFFAOYSA-N 1 0 307.401 3.179 10 0 DGAERO C[N@H+](CCC(=O)OCc1ccccc1)Cc1ccc(Cl)nc1 ZINC000181470944 199301556 /nfs/dbraw/zinc/30/15/56/199301556.db2.gz ZJVLMIURZVCWTO-UHFFFAOYSA-N 1 0 318.804 3.300 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2cccc(Cl)c2F)CC1 ZINC000129650858 432007837 /nfs/dbraw/zinc/00/78/37/432007837.db2.gz KHRHWEVSVGEXTO-UHFFFAOYSA-N 1 0 312.816 3.329 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000262244645 293204065 /nfs/dbraw/zinc/20/40/65/293204065.db2.gz WLASILAHWOADCI-PSASIEDQSA-N 1 0 307.385 3.172 10 0 DGAERO CCCCN(CC[NH3+])Cc1ccc(F)cc1Br ZINC000042691004 190671543 /nfs/dbraw/zinc/67/15/43/190671543.db2.gz GGQRUYVWAHMJRD-UHFFFAOYSA-N 1 0 303.219 3.149 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103297556 185445256 /nfs/dbraw/zinc/44/52/56/185445256.db2.gz MVXKVMNSPPNLDG-SJORKVTESA-N 1 0 309.498 3.184 10 0 DGAERO C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000103505619 432011080 /nfs/dbraw/zinc/01/10/80/432011080.db2.gz QSTDJDWQBRYQQJ-ZDUSSCGKSA-N 1 0 323.868 3.384 10 0 DGAERO C[C@H]([NH2+]Cc1cnc(Cl)s1)c1ccc2c(c1)OCCO2 ZINC000181758101 199348218 /nfs/dbraw/zinc/34/82/18/199348218.db2.gz NQWQXJSTEUWOHI-VIFPVBQESA-N 1 0 310.806 3.419 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081769 185550194 /nfs/dbraw/zinc/55/01/94/185550194.db2.gz MPIVYNRGGPZOCO-HUUCEWRRSA-N 1 0 322.399 3.057 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCCC2(C)C)[C@H](C)C1 ZINC000130095279 432014788 /nfs/dbraw/zinc/01/47/88/432014788.db2.gz HAWXOMRTOOJAAW-OWCLPIDISA-N 1 0 309.498 3.327 10 0 DGAERO COc1cccc(CCC[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000119249047 185714024 /nfs/dbraw/zinc/71/40/24/185714024.db2.gz NYJSKJLVFAXANF-UHFFFAOYSA-N 1 0 313.445 3.237 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286891067 219212648 /nfs/dbraw/zinc/21/26/48/219212648.db2.gz BWOCVDYCHNARDE-CRXRLTJJSA-N 1 0 316.420 3.314 10 0 DGAERO CSC[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000066767534 432020953 /nfs/dbraw/zinc/02/09/53/432020953.db2.gz DAORRMUCAGMEQV-NVXWUHKLSA-N 1 0 320.502 3.156 10 0 DGAERO O=C(Nc1cccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1)C1CC1 ZINC000261655513 304007139 /nfs/dbraw/zinc/00/71/39/304007139.db2.gz FTLJKKNVHGAKMY-OKZBNKHCSA-N 1 0 313.445 3.368 10 0 DGAERO CN1C(=O)C[C@H]([NH2+]C2CCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090968696 282644816 /nfs/dbraw/zinc/64/48/16/282644816.db2.gz DRVPBZZEVBOZAK-HOCLYGCPSA-N 1 0 324.877 3.097 10 0 DGAERO CNC(=O)c1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000066861488 432023315 /nfs/dbraw/zinc/02/33/15/432023315.db2.gz TULNEKAFRGNCPG-UHFFFAOYSA-N 1 0 306.409 3.336 10 0 DGAERO CCCN(Cc1nc(-c2ccoc2)no1)C[C@H]1CCCCO1 ZINC000106867386 432023353 /nfs/dbraw/zinc/02/33/53/432023353.db2.gz DKZMCDSHKFPEKF-CQSZACIVSA-N 1 0 305.378 3.111 10 0 DGAERO Cc1ccc(-c2ccsc2C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170857813 197838230 /nfs/dbraw/zinc/83/82/30/197838230.db2.gz XAMVHNVDBJUMJQ-HNNXBMFYSA-N 1 0 314.454 3.500 10 0 DGAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000071700262 191009237 /nfs/dbraw/zinc/00/92/37/191009237.db2.gz JVPRAACNMRQJSM-UHFFFAOYSA-N 1 0 317.392 3.383 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)c(C)s1 ZINC000140587362 186027767 /nfs/dbraw/zinc/02/77/67/186027767.db2.gz JJEOKHZBMRXVDA-CYBMUJFWSA-N 1 0 321.490 3.306 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)sc1Cl ZINC000152413134 186069740 /nfs/dbraw/zinc/06/97/40/186069740.db2.gz WSTKBWZVVJEYEX-HTQZYQBOSA-N 1 0 307.246 3.326 10 0 DGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(SC(F)F)cc1 ZINC000155696443 186104462 /nfs/dbraw/zinc/10/44/62/186104462.db2.gz XRYMFLKABXBYCD-QWRGUYRKSA-N 1 0 314.401 3.166 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1F ZINC000173331909 186177275 /nfs/dbraw/zinc/17/72/75/186177275.db2.gz WLMDJQLOUXQVNM-QWHCGFSZSA-N 1 0 309.360 3.055 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(C2CC2)cs1 ZINC000173334361 186177797 /nfs/dbraw/zinc/17/77/97/186177797.db2.gz VDLNNXVLFGQBRM-QWHCGFSZSA-N 1 0 320.462 3.111 10 0 DGAERO C[C@H](CCNC(=O)N(C)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000175643417 186184019 /nfs/dbraw/zinc/18/40/19/186184019.db2.gz PQPAVERQSSGVJQ-OAHLLOKOSA-N 1 0 303.450 3.091 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000182031366 199377129 /nfs/dbraw/zinc/37/71/29/199377129.db2.gz PBWQSTXNAOFXPR-HNNXBMFYSA-N 1 0 314.395 3.435 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+]CCN2CCCC[C@H]2C)cc1 ZINC000181949322 186221360 /nfs/dbraw/zinc/22/13/60/186221360.db2.gz KMABTACNHIWSOR-CABCVRRESA-N 1 0 303.450 3.170 10 0 DGAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000191827831 186260154 /nfs/dbraw/zinc/26/01/54/186260154.db2.gz RMHYMDXPAFWQJS-IGCXYCKISA-N 1 0 317.433 3.046 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000191831496 186260436 /nfs/dbraw/zinc/26/04/36/186260436.db2.gz DTFZFMCBIAGNBV-KSSFIOAISA-N 1 0 322.880 3.319 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194282106 186277067 /nfs/dbraw/zinc/27/70/67/186277067.db2.gz IBWUMNJMSDHLGG-CYBMUJFWSA-N 1 0 300.406 3.164 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[C@@H](C)c1ccccc1 ZINC000237472633 186294444 /nfs/dbraw/zinc/29/44/44/186294444.db2.gz ZBPUSIRYZCMTJG-SRIISGBFSA-N 1 0 300.446 3.216 10 0 DGAERO Cc1ccc(C[C@@H](C)N(C)C(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000237507782 186299013 /nfs/dbraw/zinc/29/90/13/186299013.db2.gz SFXOFFULTNPUNZ-APWZRJJASA-N 1 0 310.441 3.475 10 0 DGAERO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237507297 186299097 /nfs/dbraw/zinc/29/90/97/186299097.db2.gz UWOITUFMQZSTAF-UBDQQSCGSA-N 1 0 300.446 3.045 10 0 DGAERO O=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171541160 197937989 /nfs/dbraw/zinc/93/79/89/197937989.db2.gz COGXXTQYROUKFS-INIZCTEOSA-N 1 0 312.417 3.260 10 0 DGAERO CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182035597 199377591 /nfs/dbraw/zinc/37/75/91/199377591.db2.gz MIUJZWMJMLNPOV-PKOBYXMFSA-N 1 0 316.489 3.494 10 0 DGAERO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1F ZINC000130541703 432027135 /nfs/dbraw/zinc/02/71/35/432027135.db2.gz PMBGYLFJEAJNJL-WLYUNCDWSA-N 1 0 306.425 3.166 10 0 DGAERO CCC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171898312 198004528 /nfs/dbraw/zinc/00/45/28/198004528.db2.gz ONIXHMFMSBNYHI-SJORKVTESA-N 1 0 301.434 3.017 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000182044828 199378257 /nfs/dbraw/zinc/37/82/57/199378257.db2.gz HLXQIDYWYVXHFF-LSDHHAIUSA-N 1 0 314.395 3.434 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)CC2 ZINC000171981150 198020290 /nfs/dbraw/zinc/02/02/90/198020290.db2.gz MOSTXPKVPBVFPF-WCQYABFASA-N 1 0 320.387 3.345 10 0 DGAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCCC2)cc1OC ZINC000172168728 198050875 /nfs/dbraw/zinc/05/08/75/198050875.db2.gz FUIKPPWABWBWFW-OLZOCXBDSA-N 1 0 320.433 3.199 10 0 DGAERO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000172170061 198051470 /nfs/dbraw/zinc/05/14/70/198051470.db2.gz BMBLZLGBUXYHAT-OLZOCXBDSA-N 1 0 317.433 3.140 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000172169794 198052028 /nfs/dbraw/zinc/05/20/28/198052028.db2.gz VAOQWFKDZNIYLO-STQMWFEESA-N 1 0 302.418 3.385 10 0 DGAERO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000172603794 198122638 /nfs/dbraw/zinc/12/26/38/198122638.db2.gz ZJUOYXMFNSUFFO-CHWSQXEVSA-N 1 0 318.442 3.112 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)CSC(C)(C)C)c1ccco1 ZINC000072564201 191195327 /nfs/dbraw/zinc/19/53/27/191195327.db2.gz NRKYINMFCJCQRT-ZDUSSCGKSA-N 1 0 312.479 3.310 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)NCCc1cccs1 ZINC000172871749 198161295 /nfs/dbraw/zinc/16/12/95/198161295.db2.gz AQOHYMANBONVAH-NWDGAFQWSA-N 1 0 308.472 3.208 10 0 DGAERO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1nnc(C(C)C)n1C ZINC000172930058 198169022 /nfs/dbraw/zinc/16/90/22/198169022.db2.gz WJGDRTWBGSIFAH-MRXNPFEDSA-N 1 0 300.450 3.392 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1Cc2ccccc2O1 ZINC000072843970 191238420 /nfs/dbraw/zinc/23/84/20/191238420.db2.gz HMSUYXKFDHNEQQ-IBGZPJMESA-N 1 0 322.408 3.225 10 0 DGAERO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343688 295849104 /nfs/dbraw/zinc/84/91/04/295849104.db2.gz PVTVNYSVNOCKCP-STQMWFEESA-N 1 0 312.479 3.199 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N[C@H]1COc2ccccc21 ZINC000107350077 432030921 /nfs/dbraw/zinc/03/09/21/432030921.db2.gz RPSBJZSKYCNWBD-INIZCTEOSA-N 1 0 304.434 3.139 10 0 DGAERO CSc1ccc(OCC[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000173653580 198236593 /nfs/dbraw/zinc/23/65/93/198236593.db2.gz WNJOSHOKGIIFLI-AWEZNQCLSA-N 1 0 317.458 3.010 10 0 DGAERO CCCCN(C)c1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000107384175 432032021 /nfs/dbraw/zinc/03/20/21/432032021.db2.gz MQIGHWWUPFWGPU-QGZVFWFLSA-N 1 0 318.465 3.091 10 0 DGAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000067529141 432032209 /nfs/dbraw/zinc/03/22/09/432032209.db2.gz UMGHCCSZATZRAH-KRWDZBQOSA-N 1 0 324.428 3.258 10 0 DGAERO CC(C)OCCN1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182067408 199382153 /nfs/dbraw/zinc/38/21/53/199382153.db2.gz ZNFHJCUFUKWLOW-SFHVURJKSA-N 1 0 318.505 3.344 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174175523 198301769 /nfs/dbraw/zinc/30/17/69/198301769.db2.gz LCGACYYJSYCAFB-UKRRQHHQSA-N 1 0 305.422 3.032 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174141140 198296503 /nfs/dbraw/zinc/29/65/03/198296503.db2.gz YQMDEYZIPMNHJL-VYDXJSESSA-N 1 0 303.450 3.180 10 0 DGAERO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000174246248 198310216 /nfs/dbraw/zinc/31/02/16/198310216.db2.gz RWXCCXBYVMDLKA-MRXNPFEDSA-N 1 0 323.440 3.462 10 0 DGAERO O=C(c1cccc2ncccc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174556346 198351464 /nfs/dbraw/zinc/35/14/64/198351464.db2.gz LPHDMSHWRYJJHE-INIZCTEOSA-N 1 0 323.440 3.183 10 0 DGAERO Clc1ccc(-c2cccc(N3CC[NH2+]CC3)n2)cc1Cl ZINC000067674991 432034272 /nfs/dbraw/zinc/03/42/72/432034272.db2.gz PMEDKQVTDCGIRE-UHFFFAOYSA-N 1 0 308.212 3.465 10 0 DGAERO O=C(NCc1ccc(Cl)cn1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000182169884 199396998 /nfs/dbraw/zinc/39/69/98/199396998.db2.gz WAGNRGPVVWGDCY-ZDUSSCGKSA-N 1 0 321.852 3.006 10 0 DGAERO CCC(=O)N(c1cccc(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000003628567 181043057 /nfs/dbraw/zinc/04/30/57/181043057.db2.gz CIBNDPPABYOVEO-SFHVURJKSA-N 1 0 324.424 3.410 10 0 DGAERO COc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000107697528 432037493 /nfs/dbraw/zinc/03/74/93/432037493.db2.gz AYINPGLVWLHXBJ-INIZCTEOSA-N 1 0 306.425 3.285 10 0 DGAERO Cn1c2ccccc2nc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107697495 432038086 /nfs/dbraw/zinc/03/80/86/432038086.db2.gz QLWVTVAMMFEUQD-MRXNPFEDSA-N 1 0 312.461 3.024 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000131438956 432038555 /nfs/dbraw/zinc/03/85/55/432038555.db2.gz MCDARJPWVJQGAH-HUUCEWRRSA-N 1 0 324.509 3.255 10 0 DGAERO C[C@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@H]1C ZINC000176815256 198625520 /nfs/dbraw/zinc/62/55/20/198625520.db2.gz ZYKVRTXYRHSMBG-KBPBESRZSA-N 1 0 321.440 3.217 10 0 DGAERO COc1cccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107723687 432039775 /nfs/dbraw/zinc/03/97/75/432039775.db2.gz OWLNKACJZMNIPI-INIZCTEOSA-N 1 0 317.433 3.177 10 0 DGAERO COC[C@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000131905142 432040709 /nfs/dbraw/zinc/04/07/09/432040709.db2.gz FCXGAJKISFLLRW-GFCCVEGCSA-N 1 0 313.463 3.140 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179102738 432041456 /nfs/dbraw/zinc/04/14/56/432041456.db2.gz YTSKDPLAEULBBL-GFCCVEGCSA-N 1 0 309.841 3.033 10 0 DGAERO CCOc1cc(C[N@H+](C)C[C@H](C)COC)ccc1OC(F)F ZINC000131916379 432042082 /nfs/dbraw/zinc/04/20/82/432042082.db2.gz SMDWZMHPQZVFKB-LBPRGKRZSA-N 1 0 317.376 3.401 10 0 DGAERO CCCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000236816008 202023492 /nfs/dbraw/zinc/02/34/92/202023492.db2.gz NJKRZQSIJLUTHJ-DLBZAZTESA-N 1 0 320.864 3.434 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)CCCc1ccc(F)c(F)c1 ZINC000236819160 202025214 /nfs/dbraw/zinc/02/52/14/202025214.db2.gz FTMHQROUJUZFKY-MRXNPFEDSA-N 1 0 312.404 3.119 10 0 DGAERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)cc1F ZINC000132175128 432045494 /nfs/dbraw/zinc/04/54/94/432045494.db2.gz ZGLCNENAJAJUAX-NEPJUHHUSA-N 1 0 312.816 3.342 10 0 DGAERO CCC(CC)c1cc(CNC(=O)NC[C@@H](C)[NH+](CC)CC)on1 ZINC000073654622 191336434 /nfs/dbraw/zinc/33/64/34/191336434.db2.gz SNOJZECXXKPRLE-CYBMUJFWSA-N 1 0 324.469 3.108 10 0 DGAERO C[C@H]1Cc2ccccc2N1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792364 191361200 /nfs/dbraw/zinc/36/12/00/191361200.db2.gz BPLGFTKJIRLKAV-LNRIEFBSSA-N 1 0 313.445 3.163 10 0 DGAERO Clc1nc2c3ccccc3[nH]c2c(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000073736427 191349511 /nfs/dbraw/zinc/34/95/11/191349511.db2.gz MRGVUMHPWZWBRX-SNVBAGLBSA-N 1 0 315.808 3.176 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000132169415 432046790 /nfs/dbraw/zinc/04/67/90/432046790.db2.gz NETVQZCDGVGCHL-BBRMVZONSA-N 1 0 323.868 3.210 10 0 DGAERO Cc1nc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)sc1C ZINC000179168661 432047464 /nfs/dbraw/zinc/04/74/64/432047464.db2.gz HKUKXRFTZIXFBH-CYBMUJFWSA-N 1 0 310.467 3.002 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(C(C)C)n2)[C@H](C)C1 ZINC000076491305 191653898 /nfs/dbraw/zinc/65/38/98/191653898.db2.gz ACQQXNJDINSIDO-OCCSQVGLSA-N 1 0 309.479 3.069 10 0 DGAERO CC[C@@H]1CCC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000077856611 191785990 /nfs/dbraw/zinc/78/59/90/191785990.db2.gz WNHYUNHVQMZVEL-CVEARBPZSA-N 1 0 307.482 3.225 10 0 DGAERO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCCCC1 ZINC000068047991 432049512 /nfs/dbraw/zinc/04/95/12/432049512.db2.gz NLBUPGLWQGHSSI-LLVKDONJSA-N 1 0 304.217 3.219 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)Nc1nc(C(=O)OC)c(C)s1 ZINC000164618998 432049914 /nfs/dbraw/zinc/04/99/14/432049914.db2.gz NCVHMWISYHCQPM-LLVKDONJSA-N 1 0 313.467 3.161 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)Nc1nc(C(=O)OC)c(C)s1 ZINC000164619112 432050405 /nfs/dbraw/zinc/05/04/05/432050405.db2.gz NCVHMWISYHCQPM-NSHDSACASA-N 1 0 313.467 3.161 10 0 DGAERO c1ncn([C@@H]2CCC[N@@H+](CCCSCc3ccccc3)C2)n1 ZINC000179211836 432050835 /nfs/dbraw/zinc/05/08/35/432050835.db2.gz WJZARMJVBFPYTD-QGZVFWFLSA-N 1 0 316.474 3.239 10 0 DGAERO Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179264745 432051989 /nfs/dbraw/zinc/05/19/89/432051989.db2.gz SQSIYTYLYXBAAC-RBUKOAKNSA-N 1 0 323.440 3.240 10 0 DGAERO C[C@H](Cc1ccccc1F)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080715832 192184069 /nfs/dbraw/zinc/18/40/69/192184069.db2.gz IMTKXGGVMJTSJH-HZTRTUMWSA-N 1 0 318.436 3.136 10 0 DGAERO C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC000080716386 192184869 /nfs/dbraw/zinc/18/48/69/192184869.db2.gz UEHYVVVFTWERMP-HNSVSWJLSA-N 1 0 318.436 3.451 10 0 DGAERO CC(C)COC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccco1 ZINC000184203118 199686952 /nfs/dbraw/zinc/68/69/52/199686952.db2.gz OGJSJNHGXDNPHS-PKOBYXMFSA-N 1 0 317.429 3.491 10 0 DGAERO C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000237557936 299240528 /nfs/dbraw/zinc/24/05/28/299240528.db2.gz RVADJIWWPCHSOS-NHYWBVRUSA-N 1 0 314.351 3.415 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc3ncccc32)C1 ZINC000081332993 192252553 /nfs/dbraw/zinc/25/25/53/192252553.db2.gz NJPLESCCIGUVGH-HNNXBMFYSA-N 1 0 311.429 3.039 10 0 DGAERO CCO[C@@H]1C[C@@H](N(C)C(=O)CCCCCC[NH3+])C12CCCC2 ZINC000236847352 202035821 /nfs/dbraw/zinc/03/58/21/202035821.db2.gz FGQKNXLPVNOSTK-HZPDHXFCSA-N 1 0 310.482 3.092 10 0 DGAERO CC(C)CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000179462885 432059329 /nfs/dbraw/zinc/05/93/29/432059329.db2.gz NPTQEGKDAXAQBW-ZWKOTPCHSA-N 1 0 315.461 3.262 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000236912523 202067447 /nfs/dbraw/zinc/06/74/47/202067447.db2.gz QIBADZNCDIGBIQ-JOYOIKCWSA-N 1 0 322.459 3.001 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1 ZINC000236904330 202062480 /nfs/dbraw/zinc/06/24/80/202062480.db2.gz LUXGWVRXEWNIOG-BLLLJJGKSA-N 1 0 300.406 3.005 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000236924249 202074247 /nfs/dbraw/zinc/07/42/47/202074247.db2.gz UPAJGUFRTBSARE-BLLLJJGKSA-N 1 0 318.417 3.430 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2CCCCCC2)[C@@H]1c1ccccc1 ZINC000179483221 432060562 /nfs/dbraw/zinc/06/05/62/432060562.db2.gz QLVVIDHKHPQXHU-IRXDYDNUSA-N 1 0 301.434 3.017 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000237008442 202120739 /nfs/dbraw/zinc/12/07/39/202120739.db2.gz ZOJNLWDIRHTQPL-NOZJJQNGSA-N 1 0 318.339 3.248 10 0 DGAERO CCc1csc([C@H]2CCCN(C(=O)CCCCCC[NH3+])C2)n1 ZINC000237018847 202124402 /nfs/dbraw/zinc/12/44/02/202124402.db2.gz PXSVJMKHBUSPIG-AWEZNQCLSA-N 1 0 323.506 3.321 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1C ZINC000166528076 432061068 /nfs/dbraw/zinc/06/10/68/432061068.db2.gz XQSOZBIRYBJOQV-WMZOPIPTSA-N 1 0 312.461 3.357 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)CC1 ZINC000237082415 202147122 /nfs/dbraw/zinc/14/71/22/202147122.db2.gz PIXYFLCHEAYOCM-HNNXBMFYSA-N 1 0 318.461 3.096 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113885333 283208899 /nfs/dbraw/zinc/20/88/99/283208899.db2.gz NLKUZCGGJIIUFF-KRWDZBQOSA-N 1 0 320.481 3.366 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3cnn(C)c3)C1)CCC2 ZINC000166704255 432061541 /nfs/dbraw/zinc/06/15/41/432061541.db2.gz ATWAHYKINTWMFI-YLJYHZDGSA-N 1 0 324.472 3.365 10 0 DGAERO C[C@@H]([NH2+]C1CC(c2cccc(Br)c2)C1)[C@H](C)CO ZINC000166905277 432062852 /nfs/dbraw/zinc/06/28/52/432062852.db2.gz JGDKCEJYKCVRDW-HVYTVYHTSA-N 1 0 312.251 3.302 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000179601365 432065097 /nfs/dbraw/zinc/06/50/97/432065097.db2.gz RCEMAFBXVUIQIY-ZBFHGGJFSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@H]1C[C@@H](Nc2nn3cc(C(C)(C)C)nc3s2)C[N@@H+]1C1CC1 ZINC000133516576 432065221 /nfs/dbraw/zinc/06/52/21/432065221.db2.gz VDIPVLKODRWUMR-WDEREUQCSA-N 1 0 319.478 3.125 10 0 DGAERO Cn1cc(C[N@H+](C)Cc2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000179646972 432065308 /nfs/dbraw/zinc/06/53/08/432065308.db2.gz WRADFGPIQDBCPE-UHFFFAOYSA-N 1 0 310.376 3.253 10 0 DGAERO C[C@H]1C[C@H](Nc2nn3cc(C(C)(C)C)nc3s2)C[N@@H+]1C1CC1 ZINC000133516100 432065385 /nfs/dbraw/zinc/06/53/85/432065385.db2.gz VDIPVLKODRWUMR-QWRGUYRKSA-N 1 0 319.478 3.125 10 0 DGAERO COc1ccc([C@H](C)NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000237244081 202203408 /nfs/dbraw/zinc/20/34/08/202203408.db2.gz FXNMWNCQUXRDPP-KCQAQPDRSA-N 1 0 322.424 3.037 10 0 DGAERO Cn1cc(CN2CCC([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000179670158 432066282 /nfs/dbraw/zinc/06/62/82/432066282.db2.gz HMBNUULXOQXPOX-UHFFFAOYSA-N 1 0 324.472 3.147 10 0 DGAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](Sc2ccccc2)C(C)C)C1 ZINC000133595662 432068346 /nfs/dbraw/zinc/06/83/46/432068346.db2.gz WCJWLIVXTZHVMX-ZBFHGGJFSA-N 1 0 306.475 3.014 10 0 DGAERO CC(C)[N@H+](C)CC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000179746292 432068971 /nfs/dbraw/zinc/06/89/71/432068971.db2.gz AFVSCKCTKXRFIB-AWEZNQCLSA-N 1 0 310.825 3.010 10 0 DGAERO Fc1cccc(N2CCCC2)c1CN1CCC[N@@H+](C2CC2)CC1 ZINC000179733485 432069194 /nfs/dbraw/zinc/06/91/94/432069194.db2.gz CAFXUQGWHVMPRF-UHFFFAOYSA-N 1 0 317.452 3.096 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cnc(-c3ccccc3)[nH]1)CC2 ZINC000179839768 432072147 /nfs/dbraw/zinc/07/21/47/432072147.db2.gz YWPVYZDGLOYENC-APWZRJJASA-N 1 0 311.429 3.204 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)c1ccc(C)cc1 ZINC000487790779 535364625 /nfs/dbraw/zinc/36/46/25/535364625.db2.gz LLVWAEOIHRYGPH-KRWDZBQOSA-N 1 0 302.462 3.263 10 0 DGAERO O=C1NCC[C@H]1[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000178991632 198965677 /nfs/dbraw/zinc/96/56/77/198965677.db2.gz YVYWKGITMUWVNA-IAGOWNOFSA-N 1 0 314.816 3.102 10 0 DGAERO CC1CCC(C[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000179505295 199047681 /nfs/dbraw/zinc/04/76/81/199047681.db2.gz GJZDUKVPZMAMGM-AFMYVXGZSA-N 1 0 316.489 3.164 10 0 DGAERO Cc1cc(C)n2c(C[N@H+]3Cc4ccccc4C[C@H]3C)cnc2n1 ZINC000179910304 432074185 /nfs/dbraw/zinc/07/41/85/432074185.db2.gz TUDXKQSMZIYDSA-CQSZACIVSA-N 1 0 306.413 3.293 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000179879455 199090363 /nfs/dbraw/zinc/09/03/63/199090363.db2.gz WXESDLBRGMZPQH-CYBMUJFWSA-N 1 0 322.815 3.470 10 0 DGAERO O=C(NCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccco1 ZINC000179988702 199103271 /nfs/dbraw/zinc/10/32/71/199103271.db2.gz JLLOHKNBPGLIRK-MRXNPFEDSA-N 1 0 318.804 3.404 10 0 DGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000179962131 199099970 /nfs/dbraw/zinc/09/99/70/199099970.db2.gz SSJRGZHEJKDRAH-INIZCTEOSA-N 1 0 315.413 3.126 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000170631973 432074431 /nfs/dbraw/zinc/07/44/31/432074431.db2.gz UPBXDDPCZRMNGP-UHFFFAOYSA-N 1 0 322.368 3.051 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C)c1F ZINC000179979201 199102490 /nfs/dbraw/zinc/10/24/90/199102490.db2.gz VVISLWLRKXLXDC-ZIAGYGMSSA-N 1 0 305.397 3.225 10 0 DGAERO Cc1ccc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180096032 199116704 /nfs/dbraw/zinc/11/67/04/199116704.db2.gz VZZFNGVMFPOHIU-RBUKOAKNSA-N 1 0 308.425 3.479 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H]1c1ccccc1 ZINC000180171155 199125775 /nfs/dbraw/zinc/12/57/75/199125775.db2.gz HWJAJBNUUQEWQB-MOPGFXCFSA-N 1 0 319.408 3.343 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc3cc[nH]c32)[C@@H]1c1ccccc1 ZINC000180172101 199125965 /nfs/dbraw/zinc/12/59/65/199125965.db2.gz ZUVLFTTWBXAEQL-MJGOQNOKSA-N 1 0 319.408 3.343 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1ccccc1 ZINC000180185613 199127333 /nfs/dbraw/zinc/12/73/33/199127333.db2.gz OVOZNQCHLRYNOO-MJGOQNOKSA-N 1 0 319.408 3.343 10 0 DGAERO CNC(=O)Cc1nc(C[N@@H+]2CCCCC[C@@H]2CC(C)C)cs1 ZINC000177653895 283340356 /nfs/dbraw/zinc/34/03/56/283340356.db2.gz QVJGULGDDCFRCX-OAHLLOKOSA-N 1 0 323.506 3.222 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2c(C3CC3)nc3sccn23)CC[N@@H+]1C ZINC000180423089 199157462 /nfs/dbraw/zinc/15/74/62/199157462.db2.gz SXSVARFTDXMOAN-TZMCWYRMSA-N 1 0 318.490 3.188 10 0 DGAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCn1ccnc1 ZINC000237318674 202229400 /nfs/dbraw/zinc/22/94/00/202229400.db2.gz NLYYVYDFZDKZSI-ZDUSSCGKSA-N 1 0 309.360 3.095 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)CC2 ZINC000180520901 199170807 /nfs/dbraw/zinc/17/08/07/199170807.db2.gz BYAWMDDCBTYZTQ-WCQYABFASA-N 1 0 319.840 3.116 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000180527663 199171397 /nfs/dbraw/zinc/17/13/97/199171397.db2.gz XABSWMJDLUWMIV-DZGCQCFKSA-N 1 0 314.433 3.076 10 0 DGAERO COc1c(C)cc(C[N@H+](C)CCC(=O)NC2CCCC2)cc1C ZINC000170652305 432075522 /nfs/dbraw/zinc/07/55/22/432075522.db2.gz VSIUKFBRWVOTDZ-UHFFFAOYSA-N 1 0 318.461 3.193 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)c2ccccc12 ZINC000180590154 199180861 /nfs/dbraw/zinc/18/08/61/199180861.db2.gz JNNRZURSHVUAPA-KGLIPLIRSA-N 1 0 322.412 3.106 10 0 DGAERO Cc1cc(C)c(CC(=O)N2CCC([NH+]3CCCC3)CC2)c(C)c1 ZINC000180012361 432076304 /nfs/dbraw/zinc/07/63/04/432076304.db2.gz JGWKBGKKEMHUAT-UHFFFAOYSA-N 1 0 314.473 3.241 10 0 DGAERO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccco2)N2CCOCC2)s1 ZINC000180658908 199192546 /nfs/dbraw/zinc/19/25/46/199192546.db2.gz GYCWKIQKDWWMGX-HUUCEWRRSA-N 1 0 320.458 3.374 10 0 DGAERO Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180124467 432079236 /nfs/dbraw/zinc/07/92/36/432079236.db2.gz BGEABUAPFJJGPI-AZUAARDMSA-N 1 0 308.425 3.099 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)ccc1O ZINC000180144097 432079528 /nfs/dbraw/zinc/07/95/28/432079528.db2.gz JKZFYZIJXNDUHV-MRXNPFEDSA-N 1 0 312.413 3.159 10 0 DGAERO CC(C)CCOC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000170777059 432080569 /nfs/dbraw/zinc/08/05/69/432080569.db2.gz IZIFKVNBMHAFDU-LJQANCHMSA-N 1 0 305.462 3.421 10 0 DGAERO CS[C@@H]1CCCC[N@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000134599774 432080592 /nfs/dbraw/zinc/08/05/92/432080592.db2.gz MFQAOFFPCWCCNH-OAHLLOKOSA-N 1 0 316.474 3.200 10 0 DGAERO c1c(CN2CC[NH2+]C[C@@H]2c2ccccc2)[nH]nc1-c1ccccc1 ZINC000415131514 237102173 /nfs/dbraw/zinc/10/21/73/237102173.db2.gz SNGWXSAHORNBHF-HXUWFJFHSA-N 1 0 318.424 3.223 10 0 DGAERO CSCCCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000134668767 432083852 /nfs/dbraw/zinc/08/38/52/432083852.db2.gz HJQKVECBNRCYDF-OKILXGFUSA-N 1 0 300.512 3.002 10 0 DGAERO Cc1ccc([C@@H]([NH2+]CCCN2CCCC2=O)C2CCC2)cc1 ZINC000186938997 200034268 /nfs/dbraw/zinc/03/42/68/200034268.db2.gz GBRNFKBAWPHBEH-IBGZPJMESA-N 1 0 300.446 3.438 10 0 DGAERO Cc1ccc2nc(C3CC3)cc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)c2c1 ZINC000186858810 200023254 /nfs/dbraw/zinc/02/32/54/200023254.db2.gz ICCCVHKBRGQAOA-ORAYPTAESA-N 1 0 323.440 3.148 10 0 DGAERO Cc1noc(CC[NH2+][C@H]2CCSc3cc(C)c(C)cc32)n1 ZINC000187321539 200094641 /nfs/dbraw/zinc/09/46/41/200094641.db2.gz ZCEPSODIGTYFNV-AWEZNQCLSA-N 1 0 303.431 3.364 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000187810452 200159589 /nfs/dbraw/zinc/15/95/89/200159589.db2.gz ZSNOHEWDCZTXRJ-GUYCJALGSA-N 1 0 303.377 3.089 10 0 DGAERO CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000187816543 200160930 /nfs/dbraw/zinc/16/09/30/200160930.db2.gz UWYLHCIVLNBKGV-JSGCOSHPSA-N 1 0 324.852 3.213 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)ccc1Cl ZINC000180411401 432085078 /nfs/dbraw/zinc/08/50/78/432085078.db2.gz ZUGUUFSUFAGAAG-OAHLLOKOSA-N 1 0 304.825 3.152 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000187702949 200146608 /nfs/dbraw/zinc/14/66/08/200146608.db2.gz RVVLHDOBSAMFNM-MJGOQNOKSA-N 1 0 300.446 3.099 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2coc(-c3ccccc3)n2)C1 ZINC000187948534 200181215 /nfs/dbraw/zinc/18/12/15/200181215.db2.gz SMUWCVUWJRNLFD-KSSFIOAISA-N 1 0 300.402 3.325 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2coc(-c3ccccc3)n2)C1 ZINC000187948506 200181298 /nfs/dbraw/zinc/18/12/98/200181298.db2.gz SMUWCVUWJRNLFD-KDOFPFPSSA-N 1 0 300.402 3.325 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(-c2ccncc2)cc1 ZINC000237530181 202272876 /nfs/dbraw/zinc/27/28/76/202272876.db2.gz QNSMUASLCNIMNT-DOPJRALCSA-N 1 0 309.413 3.053 10 0 DGAERO C[C@H](NC(=O)C1([NH3+])CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000237550752 202278772 /nfs/dbraw/zinc/27/87/72/202278772.db2.gz HIODMMKTDFORHP-AWEZNQCLSA-N 1 0 309.413 3.197 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1c1ccsc1 ZINC000188094144 200193442 /nfs/dbraw/zinc/19/34/42/200193442.db2.gz YZRVHBWOAMLHHX-OALUTQOASA-N 1 0 313.466 3.445 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+]CC[C@H]1c2ccccc2NC1=O ZINC000180382338 432085295 /nfs/dbraw/zinc/08/52/95/432085295.db2.gz RSCXLMCRLMWTLS-BBRMVZONSA-N 1 0 310.397 3.472 10 0 DGAERO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000237634532 202312688 /nfs/dbraw/zinc/31/26/88/202312688.db2.gz GPXLJGZBXJZANH-CJNGLKHVSA-N 1 0 320.502 3.256 10 0 DGAERO CCC[C@H](C(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1)[NH+](C)C ZINC000134845372 432086769 /nfs/dbraw/zinc/08/67/69/432086769.db2.gz VSAYUKVPIFWINM-MAUKXSAKSA-N 1 0 320.477 3.063 10 0 DGAERO Cc1nnc([C@H](C)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)o1 ZINC000134829046 432086826 /nfs/dbraw/zinc/08/68/26/432086826.db2.gz ZIUAUKWYASVPFS-XHDPSFHLSA-N 1 0 317.364 3.316 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)CC2CCCC2)c1 ZINC000188631298 200278003 /nfs/dbraw/zinc/27/80/03/200278003.db2.gz IUTYJKXLBLJZIK-UGSOOPFHSA-N 1 0 304.434 3.237 10 0 DGAERO C[C@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1cc2ccccc2o1 ZINC000188725830 200293908 /nfs/dbraw/zinc/29/39/08/200293908.db2.gz OOYAUISQFDJQIP-ZDUSSCGKSA-N 1 0 320.392 3.456 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CCCC1 ZINC000189036392 200339494 /nfs/dbraw/zinc/33/94/94/200339494.db2.gz ZHSYJYTXISGMEE-SUMWQHHRSA-N 1 0 304.409 3.095 10 0 DGAERO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)C1CCCC1 ZINC000189198861 200362687 /nfs/dbraw/zinc/36/26/87/200362687.db2.gz JDGJDMFZFVPLKA-OAHLLOKOSA-N 1 0 300.446 3.130 10 0 DGAERO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C)s1 ZINC000170939997 432088058 /nfs/dbraw/zinc/08/80/58/432088058.db2.gz IKYYNDLEPWRMQA-MRXNPFEDSA-N 1 0 316.474 3.256 10 0 DGAERO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000170940041 432088402 /nfs/dbraw/zinc/08/84/02/432088402.db2.gz DVOXVMZWAJLINH-MRXNPFEDSA-N 1 0 316.836 3.231 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)CSC(C)(C)C)CC2 ZINC000180503349 432088439 /nfs/dbraw/zinc/08/84/39/432088439.db2.gz HFMTVSNUYSIPHR-CHWSQXEVSA-N 1 0 310.511 3.226 10 0 DGAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261753792 283554666 /nfs/dbraw/zinc/55/46/66/283554666.db2.gz UDMNBINTPDZXQC-FVCCEPFGSA-N 1 0 306.372 3.131 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2F)[C@@H](C)C1 ZINC000246059758 432090211 /nfs/dbraw/zinc/09/02/11/432090211.db2.gz RAQBXJLJGISNCB-NHYWBVRUSA-N 1 0 311.376 3.159 10 0 DGAERO c1c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)[nH]nc1-c1ccccc1 ZINC000430152302 238069284 /nfs/dbraw/zinc/06/92/84/238069284.db2.gz WIHJKGAVBGQWFM-QGZVFWFLSA-N 1 0 311.429 3.325 10 0 DGAERO C[C@H](CNC(=O)C[C@H]1CCCc2ccccc21)[N@H+](C)C1CC1 ZINC000170981093 432091492 /nfs/dbraw/zinc/09/14/92/432091492.db2.gz HGWWHUABIMMZMF-GDBMZVCRSA-N 1 0 300.446 3.096 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3ccccc3n1)CC2 ZINC000180617880 432093223 /nfs/dbraw/zinc/09/32/23/432093223.db2.gz RUKGORWGMVCVTO-HIFRSBDPSA-N 1 0 321.428 3.054 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CC(C)(C)Cc3occc31)CC2 ZINC000180627559 432093273 /nfs/dbraw/zinc/09/32/73/432093273.db2.gz GYYGVPIDGWTOHQ-OCCSQVGLSA-N 1 0 314.433 3.052 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc3ccccc3o1)CC2 ZINC000180623256 432093799 /nfs/dbraw/zinc/09/37/99/432093799.db2.gz MHUCGYHSMHSLRO-TZMCWYRMSA-N 1 0 310.401 3.252 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc[nH]1 ZINC000095089191 299317794 /nfs/dbraw/zinc/31/77/94/299317794.db2.gz SMYYTWKKJXETNC-UONOGXRCSA-N 1 0 307.438 3.455 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)cn2)cn1 ZINC000246100679 432094192 /nfs/dbraw/zinc/09/41/92/432094192.db2.gz IJXCSXKIMRBGOH-CVEARBPZSA-N 1 0 314.458 3.127 10 0 DGAERO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1)c1ccccc1 ZINC000246101311 432094264 /nfs/dbraw/zinc/09/42/64/432094264.db2.gz JRAKBYQNDZCROM-JQHSSLGASA-N 1 0 318.461 3.143 10 0 DGAERO Clc1ccc(C2(C[NH2+]Cc3cocn3)CCOCC2)cc1 ZINC000192295393 200848058 /nfs/dbraw/zinc/84/80/58/200848058.db2.gz WAXFELPMBGMEIK-UHFFFAOYSA-N 1 0 306.793 3.166 10 0 DGAERO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ncccc2C)C1 ZINC000180655514 432094842 /nfs/dbraw/zinc/09/48/42/432094842.db2.gz LDVVDDZSFSXXKW-MSOLQXFVSA-N 1 0 324.424 3.169 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(F)cc1Cl ZINC000134991503 432094824 /nfs/dbraw/zinc/09/48/24/432094824.db2.gz MHWQYFOYVIXHNG-GFCCVEGCSA-N 1 0 312.816 3.012 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ncc(C(C)C)s2)[C@H](C)C1 ZINC000192391255 200866557 /nfs/dbraw/zinc/86/65/57/200866557.db2.gz SHVAOPXRVLKTGY-OLZOCXBDSA-N 1 0 324.494 3.461 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1C ZINC000192812812 200946627 /nfs/dbraw/zinc/94/66/27/200946627.db2.gz BIESKZKHAGVNTB-WMZOPIPTSA-N 1 0 310.445 3.413 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000193193595 201006368 /nfs/dbraw/zinc/00/63/68/201006368.db2.gz FKKUTBHGNDMYIE-FZKQIMNGSA-N 1 0 300.377 3.159 10 0 DGAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193147744 201000059 /nfs/dbraw/zinc/00/00/59/201000059.db2.gz NGZSTVFLYOZETR-OCCSQVGLSA-N 1 0 305.447 3.221 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000193216864 201008923 /nfs/dbraw/zinc/00/89/23/201008923.db2.gz QSUKCECXHZLMLF-CQSZACIVSA-N 1 0 306.425 3.271 10 0 DGAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000193367545 201039772 /nfs/dbraw/zinc/03/97/72/201039772.db2.gz NWFMTUXOSWIIKP-KBPBESRZSA-N 1 0 322.474 3.467 10 0 DGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+]CCSCc1ccccc1 ZINC000193913898 201143857 /nfs/dbraw/zinc/14/38/57/201143857.db2.gz XAVWESNABABUPM-HNNXBMFYSA-N 1 0 316.474 3.198 10 0 DGAERO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCc1ccc(F)cc1 ZINC000193985782 201157367 /nfs/dbraw/zinc/15/73/67/201157367.db2.gz PSZPYFZFVFYPPP-GOSISDBHSA-N 1 0 314.404 3.130 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(COC(C)C)cc1 ZINC000194407977 201221530 /nfs/dbraw/zinc/22/15/30/201221530.db2.gz PUEQFHZZUMTIEQ-OAHLLOKOSA-N 1 0 321.465 3.463 10 0 DGAERO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(=O)N(C)CC2CC2)cc1 ZINC000441337055 239035105 /nfs/dbraw/zinc/03/51/05/239035105.db2.gz CJQOXRFVEQCTHH-OALUTQOASA-N 1 0 314.473 3.431 10 0 DGAERO COC[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000246126282 432098905 /nfs/dbraw/zinc/09/89/05/432098905.db2.gz LTVPESMWGZMMRD-LSDHHAIUSA-N 1 0 304.434 3.140 10 0 DGAERO CCCCOc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000171080399 432099585 /nfs/dbraw/zinc/09/95/85/432099585.db2.gz KBBWZGCPFRJQJR-OAHLLOKOSA-N 1 0 319.449 3.342 10 0 DGAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000195289976 201372987 /nfs/dbraw/zinc/37/29/87/201372987.db2.gz QFADPRVSQPZVFW-NRFANRHFSA-N 1 0 323.484 3.468 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000195520246 201398506 /nfs/dbraw/zinc/39/85/06/201398506.db2.gz IQBXZSUMBPJQHU-QGZVFWFLSA-N 1 0 321.428 3.226 10 0 DGAERO CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000180776147 432100906 /nfs/dbraw/zinc/10/09/06/432100906.db2.gz IMALZCIPESKWRU-ZWKOTPCHSA-N 1 0 323.502 3.182 10 0 DGAERO CCCOc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000246469757 202592305 /nfs/dbraw/zinc/59/23/05/202592305.db2.gz CRFAXUMPQFSDCC-JQHSSLGASA-N 1 0 316.445 3.012 10 0 DGAERO CCOC[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000246146907 432101181 /nfs/dbraw/zinc/10/11/81/432101181.db2.gz GYWVMDCLPLYWKR-ZIAGYGMSSA-N 1 0 301.390 3.156 10 0 DGAERO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189900824 432101754 /nfs/dbraw/zinc/10/17/54/432101754.db2.gz IDEYJIBZURGBOJ-OXJNMPFZSA-N 1 0 321.424 3.431 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2cccc(F)c2C)CC1 ZINC000072605142 283753344 /nfs/dbraw/zinc/75/33/44/283753344.db2.gz SMAYVCALVNQAJB-UHFFFAOYSA-N 1 0 307.413 3.378 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247224670 202655964 /nfs/dbraw/zinc/65/59/64/202655964.db2.gz NHVGDFXTIHZOGK-ZACQAIPSSA-N 1 0 300.446 3.184 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000247502470 202678107 /nfs/dbraw/zinc/67/81/07/202678107.db2.gz VEHIOWMZXYLPDJ-DOMZBBRYSA-N 1 0 311.429 3.093 10 0 DGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000275488795 212366481 /nfs/dbraw/zinc/36/64/81/212366481.db2.gz IWTNRULVQZCRJX-WMZOPIPTSA-N 1 0 324.428 3.394 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000074178780 283791055 /nfs/dbraw/zinc/79/10/55/283791055.db2.gz FZAFDVNPITXMEV-CYBMUJFWSA-N 1 0 324.415 3.305 10 0 DGAERO COc1cc(C)ccc1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000449031711 239979009 /nfs/dbraw/zinc/97/90/09/239979009.db2.gz VWEIQFLDPRCISG-ZFWWWQNUSA-N 1 0 317.351 3.281 10 0 DGAERO CC[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)CCO1 ZINC000449128761 240029109 /nfs/dbraw/zinc/02/91/09/240029109.db2.gz ALZRMAWRQNDEDX-VNQPRFMTSA-N 1 0 307.434 3.182 10 0 DGAERO c1nc(CCc2ccccc2)sc1C[NH2+][C@H]1CCCOC1 ZINC000449127009 240029286 /nfs/dbraw/zinc/02/92/86/240029286.db2.gz VKYRZLKRSFXBKC-HNNXBMFYSA-N 1 0 302.443 3.197 10 0 DGAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc3ccccc3o2)cn1 ZINC000275423643 212324175 /nfs/dbraw/zinc/32/41/75/212324175.db2.gz DUBRBXSANJOHGD-FUHWJXTLSA-N 1 0 311.385 3.176 10 0 DGAERO c1ccc([C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@H]2CCOC2)cc1 ZINC000449201874 240065954 /nfs/dbraw/zinc/06/59/54/240065954.db2.gz HPNQURZDXOIILR-KSZLIROESA-N 1 0 301.430 3.456 10 0 DGAERO COCc1ccsc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000180901171 432104811 /nfs/dbraw/zinc/10/48/11/432104811.db2.gz CGFCFJUUZRJJEP-ZDUSSCGKSA-N 1 0 324.490 3.135 10 0 DGAERO COc1cc(C)ccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000449315938 240128160 /nfs/dbraw/zinc/12/81/60/240128160.db2.gz KOXKUNRGISYCEB-HNNXBMFYSA-N 1 0 313.401 3.254 10 0 DGAERO COc1cc(C)ccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000449315939 240128382 /nfs/dbraw/zinc/12/83/82/240128382.db2.gz KOXKUNRGISYCEB-OAHLLOKOSA-N 1 0 313.401 3.254 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCN1CCCO ZINC000449384227 240167723 /nfs/dbraw/zinc/16/77/23/240167723.db2.gz AKBWEQQDPFVTMC-XOVFHRFOSA-N 1 0 322.880 3.180 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCCN1CCO ZINC000449391880 240169949 /nfs/dbraw/zinc/16/99/49/240169949.db2.gz ITLXEEYCCFJZKK-NKAIQICCSA-N 1 0 322.880 3.180 10 0 DGAERO C[C@H]([NH2+]CCN1CCC(C)CC1)c1cccc(-n2ccnc2)c1 ZINC000189915311 432105034 /nfs/dbraw/zinc/10/50/34/432105034.db2.gz CFWQAWJPMZRSIA-KRWDZBQOSA-N 1 0 312.461 3.255 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c(OC)c1 ZINC000449467957 240223829 /nfs/dbraw/zinc/22/38/29/240223829.db2.gz NQXUHWWQVCGRNX-MELADBBJSA-N 1 0 307.434 3.422 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2CCC[C@H]2C)c(OC)c1 ZINC000449469307 240224214 /nfs/dbraw/zinc/22/42/14/240224214.db2.gz SQRNTNKSKXTCKJ-WWGRRREGSA-N 1 0 307.434 3.422 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)o2)n[nH]1 ZINC000449481782 240233793 /nfs/dbraw/zinc/23/37/93/240233793.db2.gz VRSBDBXUWLQSJZ-ZDUSSCGKSA-N 1 0 301.390 3.109 10 0 DGAERO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000246188687 432105130 /nfs/dbraw/zinc/10/51/30/432105130.db2.gz CWEUAFICNZGTJN-MZGVZZPPSA-N 1 0 324.852 3.050 10 0 DGAERO CCc1ccccc1CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000189940214 432105483 /nfs/dbraw/zinc/10/54/83/432105483.db2.gz XFTZYJAVWGIPFT-LJQANCHMSA-N 1 0 310.441 3.211 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)[C@H](C)O ZINC000449542393 240275001 /nfs/dbraw/zinc/27/50/01/240275001.db2.gz MKDJLSKJZMJXLC-NVBFEUDRSA-N 1 0 312.251 3.055 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000449695461 240374525 /nfs/dbraw/zinc/37/45/25/240374525.db2.gz FDBBSFYDPMLLLK-KBXCAEBGSA-N 1 0 311.429 3.162 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)o2)CN1Cc1ccccc1 ZINC000449707976 240377773 /nfs/dbraw/zinc/37/77/73/240377773.db2.gz TUZBHCALEONDHV-RHSMWYFYSA-N 1 0 311.429 3.305 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)N2CCCC2(C)C)[NH+](C)C)cc1 ZINC000077521284 283851827 /nfs/dbraw/zinc/85/18/27/283851827.db2.gz NLOPHQTVEQSYPK-MRXNPFEDSA-N 1 0 303.450 3.182 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091318850 193038966 /nfs/dbraw/zinc/03/89/66/193038966.db2.gz UDTKFAJOUZBEBV-OALUTQOASA-N 1 0 302.462 3.147 10 0 DGAERO Cc1cc(CN2CCC[C@H](C)[C@@H]2C[NH3+])ccc1Br ZINC000091472137 193061556 /nfs/dbraw/zinc/06/15/56/193061556.db2.gz VYMGOPXRMIPBCS-NHYWBVRUSA-N 1 0 311.267 3.317 10 0 DGAERO Cc1cc(CN2CCCC[C@@H]2CC[NH3+])ccc1Br ZINC000091472120 193061570 /nfs/dbraw/zinc/06/15/70/193061570.db2.gz LWFVLDBCPCCVEI-CQSZACIVSA-N 1 0 311.267 3.461 10 0 DGAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)c2ccccc21 ZINC000180927764 432106918 /nfs/dbraw/zinc/10/69/18/432106918.db2.gz IHKGWERWIJITGL-CRAIPNDOSA-N 1 0 322.456 3.458 10 0 DGAERO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cnn(C)c1 ZINC000091739752 193100353 /nfs/dbraw/zinc/10/03/53/193100353.db2.gz KJXUPBIMYCRLDG-GFCCVEGCSA-N 1 0 314.364 3.108 10 0 DGAERO C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1cccnc1 ZINC000091788413 193108834 /nfs/dbraw/zinc/10/88/34/193108834.db2.gz ABJPSDIQGUKJJS-MRXNPFEDSA-N 1 0 323.440 3.462 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246211862 432107410 /nfs/dbraw/zinc/10/74/10/432107410.db2.gz KHRTYNRVFXHIFA-DZKIICNBSA-N 1 0 321.440 3.319 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000135234616 432107690 /nfs/dbraw/zinc/10/76/90/432107690.db2.gz AMEIOWLBNMMBJH-MFKMUULPSA-N 1 0 318.642 3.353 10 0 DGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000079306306 283878053 /nfs/dbraw/zinc/87/80/53/283878053.db2.gz QGDAKZVZGYLFRE-ZIAGYGMSSA-N 1 0 322.449 3.049 10 0 DGAERO COc1cc(Br)ccc1C[NH2+]C[C@@]1(C)CCCO1 ZINC000180956781 432108224 /nfs/dbraw/zinc/10/82/24/432108224.db2.gz QWDHZNPPKAQJKA-CQSZACIVSA-N 1 0 314.223 3.116 10 0 DGAERO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000268596846 432108273 /nfs/dbraw/zinc/10/82/73/432108273.db2.gz TWGXRSHGFJBKQG-KRWDZBQOSA-N 1 0 324.424 3.047 10 0 DGAERO C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@@H]1CCCO1 ZINC000171145161 432108578 /nfs/dbraw/zinc/10/85/78/432108578.db2.gz UGUXFRSXTPWPDE-IBGZPJMESA-N 1 0 312.413 3.271 10 0 DGAERO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)C(C)C ZINC000451602697 241187151 /nfs/dbraw/zinc/18/71/51/241187151.db2.gz VQWNJVQKIBGEAD-QZTJIDSGSA-N 1 0 307.482 3.377 10 0 DGAERO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1noc(-c2ccccc2)n1)C(C)C ZINC000451612356 241188716 /nfs/dbraw/zinc/18/87/16/241188716.db2.gz MINMXTDVPGUOLV-WBVHZDCISA-N 1 0 317.433 3.115 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000171178400 432109158 /nfs/dbraw/zinc/10/91/58/432109158.db2.gz NMFNHAUGELVYBI-CQSZACIVSA-N 1 0 319.449 3.388 10 0 DGAERO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000080518312 283898950 /nfs/dbraw/zinc/89/89/50/283898950.db2.gz WQIAUIPGYUZTDH-BDAKNGLRSA-N 1 0 306.631 3.209 10 0 DGAERO C[C@H](CCc1cccc(F)c1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246215940 432109237 /nfs/dbraw/zinc/10/92/37/432109237.db2.gz PRRMHPREJNYTDH-QAPCUYQASA-N 1 0 318.436 3.091 10 0 DGAERO O=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261806011 283921887 /nfs/dbraw/zinc/92/18/87/283921887.db2.gz ZEYYESINLLLTKW-DQRRXLOISA-N 1 0 318.383 3.144 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000455100706 242109709 /nfs/dbraw/zinc/10/97/09/242109709.db2.gz XZBJKTSETUXGCZ-PHIMTYICSA-N 1 0 323.824 3.099 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H]1CCCc1ccccc1)CS(C)(=O)=O ZINC000135366401 432114950 /nfs/dbraw/zinc/11/49/50/432114950.db2.gz FSJXKIMBMRAECA-AEFFLSMTSA-N 1 0 323.502 3.154 10 0 DGAERO CC(C)n1nnnc1C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000135365648 432115599 /nfs/dbraw/zinc/11/55/99/432115599.db2.gz WOSRCOWURPMSTH-QGZVFWFLSA-N 1 0 313.449 3.241 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccc2ccccc2c1 ZINC000102686737 284023468 /nfs/dbraw/zinc/02/34/68/284023468.db2.gz ZLYDLMMBFQNIMM-CQSZACIVSA-N 1 0 308.381 3.400 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2)cc1F ZINC000102698687 284023600 /nfs/dbraw/zinc/02/36/00/284023600.db2.gz VJZQUYPGZNYOHC-CYBMUJFWSA-N 1 0 316.376 3.432 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000458424344 243056792 /nfs/dbraw/zinc/05/67/92/243056792.db2.gz RXHZBGRLJYAXPL-SJORKVTESA-N 1 0 317.477 3.130 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000246294455 432117338 /nfs/dbraw/zinc/11/73/38/432117338.db2.gz NNEXQMQJLNKFSG-DJLDLDEBSA-N 1 0 319.207 3.437 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccc(Cl)cc1 ZINC000250894218 202823460 /nfs/dbraw/zinc/82/34/60/202823460.db2.gz HZXCIEGBAQHGMB-YUDUHTQSSA-N 1 0 306.837 3.438 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459057720 243239226 /nfs/dbraw/zinc/23/92/26/243239226.db2.gz LNAFUXARRNPJNE-AYHJJNSGSA-N 1 0 315.461 3.232 10 0 DGAERO Cc1cc(C)cc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000107394349 284054446 /nfs/dbraw/zinc/05/44/46/284054446.db2.gz AEMWALJQWIDYAO-SJLPKXTDSA-N 1 0 315.461 3.244 10 0 DGAERO CCc1ccc(O)c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107779125 284057188 /nfs/dbraw/zinc/05/71/88/284057188.db2.gz YYXXDYYTLQIDGM-MRXNPFEDSA-N 1 0 316.445 3.045 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000459240965 243297145 /nfs/dbraw/zinc/29/71/45/243297145.db2.gz FZYWZMXDTSWLRN-SJLPKXTDSA-N 1 0 309.498 3.184 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000135415191 432117818 /nfs/dbraw/zinc/11/78/18/432117818.db2.gz IEUIKDGHKFKMNH-GDBMZVCRSA-N 1 0 306.837 3.253 10 0 DGAERO O[C@H](C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000246309582 432117826 /nfs/dbraw/zinc/11/78/26/432117826.db2.gz DBLUJYVIXKMWJA-JKSUJKDBSA-N 1 0 305.809 3.324 10 0 DGAERO c1cc(C2CC2)ccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000459353358 243345911 /nfs/dbraw/zinc/34/59/11/243345911.db2.gz ROHZAULQBOPYBI-UHFFFAOYSA-N 1 0 314.473 3.108 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CC[C@H](C4CCOCC4)C3)C2)cc1 ZINC000459370088 243351047 /nfs/dbraw/zinc/35/10/47/243351047.db2.gz HEHISRTUJDRURT-PMACEKPBSA-N 1 0 314.473 3.009 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH+]3CCC(OCC4CC4)CC3)C2)cc1 ZINC000459369300 243351209 /nfs/dbraw/zinc/35/12/09/243351209.db2.gz WQRPAHOZEPSIAE-LJQANCHMSA-N 1 0 314.473 3.152 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[NH+]2CCSCC2)CC1 ZINC000255187362 202906615 /nfs/dbraw/zinc/90/66/15/202906615.db2.gz CZROUSUBZVCDPJ-HDJSIYSDSA-N 1 0 314.495 3.119 10 0 DGAERO CC[C@H](C)CN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000111807050 284082398 /nfs/dbraw/zinc/08/23/98/284082398.db2.gz WUTRDIGGCIHVOL-INIZCTEOSA-N 1 0 317.477 3.470 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)Cc1ccccc1 ZINC000112043492 284084319 /nfs/dbraw/zinc/08/43/19/284084319.db2.gz ISWIPTQLHJGOFG-IAGOWNOFSA-N 1 0 304.478 3.492 10 0 DGAERO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccsc1C(=O)OC ZINC000194938591 284084598 /nfs/dbraw/zinc/08/45/98/284084598.db2.gz VSISTBHUOYXPBN-MRXNPFEDSA-N 1 0 311.447 3.316 10 0 DGAERO CCCCC[N@H+](CCO)Cc1coc(-c2ccc(F)cc2)n1 ZINC000112411334 284090130 /nfs/dbraw/zinc/09/01/30/284090130.db2.gz USBQCBTVSFVGDN-UHFFFAOYSA-N 1 0 306.381 3.465 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)N1CCCC(C)(C)C1)c1ccccc1 ZINC000112739831 284095486 /nfs/dbraw/zinc/09/54/86/284095486.db2.gz NTDVHKJTPSWJAZ-MRXNPFEDSA-N 1 0 303.450 3.121 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113580008 284103055 /nfs/dbraw/zinc/10/30/55/284103055.db2.gz BDLWTKSQPMYTAN-MPGHIAIKSA-N 1 0 315.461 3.188 10 0 DGAERO Cn1cc(Br)cc1C[N@H+](C)CCc1ccccc1 ZINC000468067955 244020958 /nfs/dbraw/zinc/02/09/58/244020958.db2.gz GZRFQJGHNVGRGO-UHFFFAOYSA-N 1 0 307.235 3.462 10 0 DGAERO CSc1ccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000171271935 432119122 /nfs/dbraw/zinc/11/91/22/432119122.db2.gz YILMYFXPVFJODR-MCIONIFRSA-N 1 0 306.475 3.286 10 0 DGAERO O=C1CCCN1CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000007385524 181460445 /nfs/dbraw/zinc/46/04/45/181460445.db2.gz QIKWGTNVJGYPQQ-UHFFFAOYSA-N 1 0 306.409 3.359 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)n1 ZINC000468999765 244078519 /nfs/dbraw/zinc/07/85/19/244078519.db2.gz QFVXCNDUIMRXPQ-ZIAGYGMSSA-N 1 0 322.474 3.421 10 0 DGAERO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321798 284120940 /nfs/dbraw/zinc/12/09/40/284120940.db2.gz GHFINCSVUWHNDG-HIFRSBDPSA-N 1 0 323.400 3.021 10 0 DGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000469981686 244136265 /nfs/dbraw/zinc/13/62/65/244136265.db2.gz LGHOAGNJRBKXQH-MWDXBVQZSA-N 1 0 306.494 3.439 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2sc(C)nc2CC(C)C)C1 ZINC000135437448 432119712 /nfs/dbraw/zinc/11/97/12/432119712.db2.gz MAVPMYRUACYSOD-ZDUSSCGKSA-N 1 0 324.494 3.256 10 0 DGAERO CCCc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000470173395 244153921 /nfs/dbraw/zinc/15/39/21/244153921.db2.gz KYYMKABQRAXFMA-GOSISDBHSA-N 1 0 300.446 3.386 10 0 DGAERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000470939269 244195818 /nfs/dbraw/zinc/19/58/18/244195818.db2.gz DFVHPVFTZHDIMQ-BPLDGKMQSA-N 1 0 301.352 3.253 10 0 DGAERO COC(=O)c1ccccc1CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470942425 244197035 /nfs/dbraw/zinc/19/70/35/244197035.db2.gz ALWGXGWTXIFJBP-RISCZKNCSA-N 1 0 315.335 3.288 10 0 DGAERO CCC[N@@H+](Cc1ccccc1OCCOC)C[C@H]1CCCCO1 ZINC000093132465 193204930 /nfs/dbraw/zinc/20/49/30/193204930.db2.gz ROHBDASHEFVDAA-GOSISDBHSA-N 1 0 321.461 3.493 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000471826263 244255499 /nfs/dbraw/zinc/25/54/99/244255499.db2.gz XQDILMGKNOCVNN-ZWKOTPCHSA-N 1 0 312.413 3.318 10 0 DGAERO C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)c2ccccc21 ZINC000118995341 284131539 /nfs/dbraw/zinc/13/15/39/284131539.db2.gz OAKOEFNKHICUSP-QQFBHYJXSA-N 1 0 315.461 3.440 10 0 DGAERO CCC[N@@H+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CCCCO1 ZINC000093132476 193205670 /nfs/dbraw/zinc/20/56/70/193205670.db2.gz SIFZHEQUIABOJG-KRWDZBQOSA-N 1 0 314.433 3.253 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000262157805 203214163 /nfs/dbraw/zinc/21/41/63/203214163.db2.gz UBNPNHAGNLZFKS-DZGCQCFKSA-N 1 0 316.367 3.184 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000246325720 432120270 /nfs/dbraw/zinc/12/02/70/432120270.db2.gz CPEBCPVYBGDWCP-QZWWFDLISA-N 1 0 309.498 3.184 10 0 DGAERO CSCC[C@@H](C)[N@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000093193643 193213782 /nfs/dbraw/zinc/21/37/82/193213782.db2.gz HCHXKFYWSLEQLH-SECBINFHSA-N 1 0 324.519 3.464 10 0 DGAERO CCOCc1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246322673 432120412 /nfs/dbraw/zinc/12/04/12/432120412.db2.gz FRAYNWBQURXTQF-PBHICJAKSA-N 1 0 319.449 3.073 10 0 DGAERO CC1(C)CCCC[C@@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000119788000 284151985 /nfs/dbraw/zinc/15/19/85/284151985.db2.gz IRQLCVBQTCRQJK-STQMWFEESA-N 1 0 320.399 3.346 10 0 DGAERO CC[C@@H]([NH2+]C[C@H]1CCCN1CCOC)c1cc(C)ccc1OC ZINC000093404825 193245884 /nfs/dbraw/zinc/24/58/84/193245884.db2.gz ZLBACMTYPAFJDM-SJLPKXTDSA-N 1 0 320.477 3.155 10 0 DGAERO CCCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000093437559 193251430 /nfs/dbraw/zinc/25/14/30/193251430.db2.gz RZYSJCXYKZUOHL-RDJZCZTQSA-N 1 0 318.461 3.153 10 0 DGAERO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000093611783 193274581 /nfs/dbraw/zinc/27/45/81/193274581.db2.gz FGTAHDXRHVIXQF-INIZCTEOSA-N 1 0 322.330 3.248 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000120463232 284170238 /nfs/dbraw/zinc/17/02/38/284170238.db2.gz SERJESAJMLMFFS-IPAJBWBYSA-N 1 0 301.478 3.382 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cccc(OCCOC)c1 ZINC000093764461 193301555 /nfs/dbraw/zinc/30/15/55/193301555.db2.gz GVOYTOIMBOGPLH-UHFFFAOYSA-N 1 0 320.458 3.233 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccc(OC)c(OC)c1 ZINC000093764621 193301562 /nfs/dbraw/zinc/30/15/62/193301562.db2.gz APRQACOULACQEO-UHFFFAOYSA-N 1 0 306.431 3.225 10 0 DGAERO COc1ccc(C[N@H+](CCc2nccs2)C(C)C)cc1O ZINC000093764191 193301813 /nfs/dbraw/zinc/30/18/13/193301813.db2.gz PNWZJZYCUJFZMA-UHFFFAOYSA-N 1 0 306.431 3.310 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CCN1C ZINC000093644375 193281448 /nfs/dbraw/zinc/28/14/48/193281448.db2.gz UHOACUQWNWMOFW-UKRRQHHQSA-N 1 0 316.424 3.130 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120628032 284173760 /nfs/dbraw/zinc/17/37/60/284173760.db2.gz LTOBIUXAVPEHJW-HOCLYGCPSA-N 1 0 319.449 3.244 10 0 DGAERO OCCC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000093939063 193330494 /nfs/dbraw/zinc/33/04/94/193330494.db2.gz BDZCKGUALCPFMT-CQSZACIVSA-N 1 0 316.214 3.325 10 0 DGAERO Fc1ccc(F)c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000094372897 193366753 /nfs/dbraw/zinc/36/67/53/193366753.db2.gz FRLFOXZYXSAPTQ-AWEZNQCLSA-N 1 0 313.413 3.499 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000094365595 193366941 /nfs/dbraw/zinc/36/69/41/193366941.db2.gz MKZOWIOUMMIYNA-HNNXBMFYSA-N 1 0 307.459 3.230 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000120973230 284184057 /nfs/dbraw/zinc/18/40/57/284184057.db2.gz ZALYUKQLPSMFJD-ZIAGYGMSSA-N 1 0 304.434 3.438 10 0 DGAERO CC(C)c1nc2c(n1C)CCN(C(=O)NCCCC(C)(C)C)C2 ZINC000121290160 284193082 /nfs/dbraw/zinc/19/30/82/284193082.db2.gz MWUVGKYHVXOQLW-UHFFFAOYSA-N 1 0 320.481 3.438 10 0 DGAERO Cc1ccc(CN(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000121664267 284202959 /nfs/dbraw/zinc/20/29/59/284202959.db2.gz UIMQYXVOTVHCQT-KRWDZBQOSA-N 1 0 305.466 3.113 10 0 DGAERO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H](C)CS(C)(=O)=O)c1 ZINC000246346156 432121925 /nfs/dbraw/zinc/12/19/25/432121925.db2.gz IOKCGCRXIAGOFK-YOEHRIQHSA-N 1 0 309.475 3.121 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C)c(F)cc2Cl)C1 ZINC000487321595 245050141 /nfs/dbraw/zinc/05/01/41/245050141.db2.gz DLBXRMYZSYUZJI-NSHDSACASA-N 1 0 313.804 3.251 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000123533640 284240374 /nfs/dbraw/zinc/24/03/74/284240374.db2.gz PQPJQPBTFKGFTK-NEPJUHHUSA-N 1 0 317.260 3.365 10 0 DGAERO COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)cs1 ZINC000488733331 245224384 /nfs/dbraw/zinc/22/43/84/245224384.db2.gz OVSPBXCFBLRZLQ-OLZOCXBDSA-N 1 0 318.442 3.021 10 0 DGAERO c1ccc2c(c1)CC[C@H](C[NH+]1CCC(Oc3cnccn3)CC1)C2 ZINC000488803446 245235250 /nfs/dbraw/zinc/23/52/50/245235250.db2.gz JBGVLONXQHYQGO-INIZCTEOSA-N 1 0 323.440 3.125 10 0 DGAERO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000124314229 284256793 /nfs/dbraw/zinc/25/67/93/284256793.db2.gz YOPUCKDRFQTQDF-BDAKNGLRSA-N 1 0 306.631 3.209 10 0 DGAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000124313987 284256853 /nfs/dbraw/zinc/25/68/53/284256853.db2.gz YOPUCKDRFQTQDF-IUCAKERBSA-N 1 0 306.631 3.209 10 0 DGAERO COC[C@H](C)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000124332621 284257336 /nfs/dbraw/zinc/25/73/36/284257336.db2.gz BBYRNGKQBJJVRY-AOIWGVFYSA-N 1 0 304.478 3.254 10 0 DGAERO C[C@H]1CCC[C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125258342 284271961 /nfs/dbraw/zinc/27/19/61/284271961.db2.gz LDQHIJIDAWAEGK-SOEBMCCKSA-N 1 0 309.498 3.232 10 0 DGAERO COc1ccccc1OCCN1CCO[C@@H](c2ccsc2)C1 ZINC000126160497 284296063 /nfs/dbraw/zinc/29/60/63/284296063.db2.gz DAAHTCRILYTAPW-QGZVFWFLSA-N 1 0 319.426 3.209 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246374261 432125310 /nfs/dbraw/zinc/12/53/10/432125310.db2.gz JPTCZVRAUHYTPK-BQFCYCMXSA-N 1 0 310.445 3.227 10 0 DGAERO COc1ccc2oc(C[NH2+][C@H]3CN(C(C)C)C[C@H]3C)cc2c1 ZINC000126634160 284311942 /nfs/dbraw/zinc/31/19/42/284311942.db2.gz HRKHMAVILPLOQF-DYVFJYSZSA-N 1 0 302.418 3.260 10 0 DGAERO COc1cc(C[NH2+][C@H]2CSC2(C)C)c(SC)cc1OC ZINC000282618566 217128733 /nfs/dbraw/zinc/12/87/33/217128733.db2.gz FIVVEPUXCMAZEP-AWEZNQCLSA-N 1 0 313.488 3.409 10 0 DGAERO Cc1cccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000127239879 284332017 /nfs/dbraw/zinc/33/20/17/284332017.db2.gz ZPRILYYHAFXYRK-MRXNPFEDSA-N 1 0 313.445 3.181 10 0 DGAERO O=C(N[C@H](c1ccccc1)C1CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246409465 432127091 /nfs/dbraw/zinc/12/70/91/432127091.db2.gz KYTKKONJVIVMKZ-ZWKOTPCHSA-N 1 0 313.445 3.017 10 0 DGAERO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246399024 432127695 /nfs/dbraw/zinc/12/76/95/432127695.db2.gz RKANPPHQPGBKHI-LZLYRXPVSA-N 1 0 317.477 3.304 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c(Cl)c1OC ZINC000135604103 432128126 /nfs/dbraw/zinc/12/81/26/432128126.db2.gz ARCGEDGLCSNGKK-CHWSQXEVSA-N 1 0 313.825 3.140 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2O)c(Cl)c1OC ZINC000135604077 432128452 /nfs/dbraw/zinc/12/84/52/432128452.db2.gz ARCGEDGLCSNGKK-STQMWFEESA-N 1 0 313.825 3.140 10 0 DGAERO C[NH+](C)CC1CCC(Nc2cnc3cc(F)c(F)cc3n2)CC1 ZINC000128099390 284363342 /nfs/dbraw/zinc/36/33/42/284363342.db2.gz BXYBKFJEUUGYMV-UHFFFAOYSA-N 1 0 320.387 3.440 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000128178111 284365969 /nfs/dbraw/zinc/36/59/69/284365969.db2.gz XUFFEDYAIHBWKT-XMTFNYHQSA-N 1 0 300.446 3.300 10 0 DGAERO Cc1cccc([C@@H]2CCCN2Cc2nnc(C3CCC3)n2C)n1 ZINC000181431703 432128944 /nfs/dbraw/zinc/12/89/44/432128944.db2.gz OJEVMHYWMXXMNH-INIZCTEOSA-N 1 0 311.433 3.123 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC[C@H]1C(C)(C)C)CC2 ZINC000246425598 432129011 /nfs/dbraw/zinc/12/90/11/432129011.db2.gz NMRISANALWZZRH-KFWWJZLASA-N 1 0 304.482 3.350 10 0 DGAERO C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000128477465 284376889 /nfs/dbraw/zinc/37/68/89/284376889.db2.gz NFWOVUFGMQESQH-ROUUACIJSA-N 1 0 309.542 3.209 10 0 DGAERO CC(C)N1CCC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)C1=O ZINC000190175215 432130260 /nfs/dbraw/zinc/13/02/60/432130260.db2.gz PIUYYHQGIGOQEX-STQMWFEESA-N 1 0 320.399 3.296 10 0 DGAERO Fc1cccc(CC[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)c1 ZINC000019114045 182104946 /nfs/dbraw/zinc/10/49/46/182104946.db2.gz YXKHBRLBFYNQKJ-LJQANCHMSA-N 1 0 314.404 3.444 10 0 DGAERO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc2ccccc2n1 ZINC000135646639 432130102 /nfs/dbraw/zinc/13/01/02/432130102.db2.gz LMEASDLRSDGNAW-GOSISDBHSA-N 1 0 306.413 3.478 10 0 DGAERO COc1ccc(CCCC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000128949613 284392621 /nfs/dbraw/zinc/39/26/21/284392621.db2.gz JMTQQFZVWLZMOM-QGZVFWFLSA-N 1 0 320.477 3.110 10 0 DGAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccc(Br)s2)C1 ZINC000019399045 182121884 /nfs/dbraw/zinc/12/18/84/182121884.db2.gz YASYJBNSVSGFEF-MXWKQRLJSA-N 1 0 317.296 3.488 10 0 DGAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccccc2Br)C1 ZINC000019426346 182122397 /nfs/dbraw/zinc/12/23/97/182122397.db2.gz LBCKPSBQMZEUOA-ZOWXZIJZSA-N 1 0 311.267 3.427 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)c2cc(C)n(C3CC3)c2C)CC1 ZINC000129140718 284399161 /nfs/dbraw/zinc/39/91/61/284399161.db2.gz NCUYTDOHFGSYEI-UHFFFAOYSA-N 1 0 317.477 3.292 10 0 DGAERO O=C(Nc1cccc(Br)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019488990 182124965 /nfs/dbraw/zinc/12/49/65/182124965.db2.gz GKWPAVOWAHSHFX-SWHYSGLUSA-N 1 0 323.234 3.308 10 0 DGAERO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000019838486 182155895 /nfs/dbraw/zinc/15/58/95/182155895.db2.gz YOAIPFQAIMMPBG-GOSISDBHSA-N 1 0 313.420 3.317 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C2(Cc3ccccc3)CC2)CC1 ZINC000129776853 284422337 /nfs/dbraw/zinc/42/23/37/284422337.db2.gz NNGYNGYRVJPSRL-UHFFFAOYSA-N 1 0 314.473 3.246 10 0 DGAERO COc1ccc([C@H](C[NH3+])N(C)Cc2ccc(Cl)cc2)cc1 ZINC000020225865 182198601 /nfs/dbraw/zinc/19/86/01/182198601.db2.gz OVWHMZFTJFZZQN-KRWDZBQOSA-N 1 0 304.821 3.480 10 0 DGAERO COc1cccc(CN(C)[C@@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000020226018 182198751 /nfs/dbraw/zinc/19/87/51/182198751.db2.gz FMNKRSHVQLQBNT-KRWDZBQOSA-N 1 0 304.821 3.480 10 0 DGAERO COc1ccc([C@H](C[NH3+])N(C)Cc2ccccc2Cl)cc1 ZINC000020225861 182198781 /nfs/dbraw/zinc/19/87/81/182198781.db2.gz YPYXOIGSUJQNKW-KRWDZBQOSA-N 1 0 304.821 3.480 10 0 DGAERO COc1cc(C[NH2+][C@H](C)C(C)C)cc(Br)c1O ZINC000020305397 182205229 /nfs/dbraw/zinc/20/52/29/182205229.db2.gz NDIDOAYEEIHQAN-SECBINFHSA-N 1 0 302.212 3.297 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)CCCOc2ccccc2)CC1 ZINC000129941420 284427729 /nfs/dbraw/zinc/42/77/29/284427729.db2.gz XROIAKXNWYZVRW-UHFFFAOYSA-N 1 0 318.461 3.082 10 0 DGAERO CCCC[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933656 182255188 /nfs/dbraw/zinc/25/51/88/182255188.db2.gz DTLFTIGKQNORFT-UHFFFAOYSA-N 1 0 302.212 3.356 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000134916527 284455102 /nfs/dbraw/zinc/45/51/02/284455102.db2.gz JVHOYFMVYYBKEM-KBPBESRZSA-N 1 0 322.497 3.244 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000246462895 432134852 /nfs/dbraw/zinc/13/48/52/432134852.db2.gz PXTZHMFLHBVSMY-ATZDWAIDSA-N 1 0 322.468 3.092 10 0 DGAERO Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000136048119 284494112 /nfs/dbraw/zinc/49/41/12/284494112.db2.gz MUEGNPMIWKBPQB-CQSZACIVSA-N 1 0 309.417 3.008 10 0 DGAERO C[C@]1(C(=O)NCCc2ccc(Cl)cc2Cl)CCCC[NH2+]1 ZINC000136134628 284495094 /nfs/dbraw/zinc/49/50/94/284495094.db2.gz ABSXQDZIPQPABH-OAHLLOKOSA-N 1 0 315.244 3.184 10 0 DGAERO CC[N@H+](C)[C@H](C(=O)NCCc1ccsc1)c1ccccc1 ZINC000171477145 432136894 /nfs/dbraw/zinc/13/68/94/432136894.db2.gz SGGVYKGFUWBILU-INIZCTEOSA-N 1 0 302.443 3.100 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246508707 432137800 /nfs/dbraw/zinc/13/78/00/432137800.db2.gz WYGVNDMPDCNIPN-XYJFISCASA-N 1 0 317.477 3.489 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000246503244 432138047 /nfs/dbraw/zinc/13/80/47/432138047.db2.gz SQNVSAIKAZYRMM-GOEBONIOSA-N 1 0 309.498 3.327 10 0 DGAERO Cc1csc(=O)n1CC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000246499759 432138611 /nfs/dbraw/zinc/13/86/11/432138611.db2.gz PWRYJZWWHCKGEO-ZBFHGGJFSA-N 1 0 302.443 3.096 10 0 DGAERO Cc1cnn(CCCCC[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000246499671 432138685 /nfs/dbraw/zinc/13/86/85/432138685.db2.gz HKYXFLJCXTWBRH-ROUUACIJSA-N 1 0 315.465 3.141 10 0 DGAERO CC[NH+](CC)CCSc1ccc(C(=O)N2CCCCC2)cn1 ZINC000033115259 182693429 /nfs/dbraw/zinc/69/34/29/182693429.db2.gz ISXTYXZHLJEEGQ-UHFFFAOYSA-N 1 0 321.490 3.142 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCC2CCCC2)[C@@H](C)C1 ZINC000246519275 432140426 /nfs/dbraw/zinc/14/04/26/432140426.db2.gz UQEGPAXUVAHLTC-DOTOQJQBSA-N 1 0 309.498 3.329 10 0 DGAERO CSc1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246539526 432142377 /nfs/dbraw/zinc/14/23/77/432142377.db2.gz VKADZFSSNWXAQY-IUODEOHRSA-N 1 0 307.463 3.259 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)ccc2F)C1 ZINC000246561915 432143032 /nfs/dbraw/zinc/14/30/32/432143032.db2.gz HHRJVFCIPIKWGM-NHYWBVRUSA-N 1 0 310.800 3.035 10 0 DGAERO O[C@@H](C[NH2+]C1CC1)COc1c(Cl)cc(Cl)cc1Cl ZINC000036951225 182854672 /nfs/dbraw/zinc/85/46/72/182854672.db2.gz WDGKPPFSKAFIGJ-VIFPVBQESA-N 1 0 310.608 3.139 10 0 DGAERO CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000246556367 432143492 /nfs/dbraw/zinc/14/34/92/432143492.db2.gz ZMLCZWLFHKELQU-DLBZAZTESA-N 1 0 320.864 3.386 10 0 DGAERO O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@H]1c1nccs1 ZINC000283885223 296241405 /nfs/dbraw/zinc/24/14/05/296241405.db2.gz IBZMLIMRRXKIGR-AWEZNQCLSA-N 1 0 312.398 3.158 10 0 DGAERO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cc2ccccc2s1 ZINC000171547857 432143951 /nfs/dbraw/zinc/14/39/51/432143951.db2.gz VEXCORYNIAYUEN-JSGCOSHPSA-N 1 0 317.458 3.356 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)C1(C)C ZINC000181766179 432144399 /nfs/dbraw/zinc/14/43/99/432144399.db2.gz PIGPBTDYVJXFLL-SJORKVTESA-N 1 0 317.477 3.152 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C(C)C)CC2)cc1F ZINC000152086076 284599883 /nfs/dbraw/zinc/59/98/83/284599883.db2.gz AROAQOWVHHSMCL-CQSZACIVSA-N 1 0 321.440 3.367 10 0 DGAERO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+]2CCC1CC2 ZINC000038781431 183009454 /nfs/dbraw/zinc/00/94/54/183009454.db2.gz WTSKNUGIAJZTMU-UHFFFAOYSA-N 1 0 306.409 3.274 10 0 DGAERO CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@@]2(C)CC[NH2+][C@@H]12 ZINC000038820508 183010117 /nfs/dbraw/zinc/01/01/17/183010117.db2.gz ITTCFQIHBIBVEN-PKOBYXMFSA-N 1 0 323.396 3.324 10 0 DGAERO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1 ZINC000040173917 183043173 /nfs/dbraw/zinc/04/31/73/183043173.db2.gz WZMUWVOOTVBTDO-OAHLLOKOSA-N 1 0 313.788 3.330 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000040502126 183084437 /nfs/dbraw/zinc/08/44/37/183084437.db2.gz LURLLLTXRDAFRA-CYBMUJFWSA-N 1 0 302.340 3.159 10 0 DGAERO O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171605723 432149534 /nfs/dbraw/zinc/14/95/34/432149534.db2.gz JPNJTMOKMOERTA-LSTHTHJFSA-N 1 0 320.436 3.250 10 0 DGAERO CN(Cc1csc(-c2ccco2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746962 183128636 /nfs/dbraw/zinc/12/86/36/183128636.db2.gz BRFIAEFRBWIWFU-ONXXMXGDSA-N 1 0 303.431 3.118 10 0 DGAERO Cc1ccc(Nc2nc[nH+]c(NNC(C)(C)C)c2N)c(C)c1 ZINC000040755495 183129770 /nfs/dbraw/zinc/12/97/70/183129770.db2.gz CFJQWMIYPOUDBQ-UHFFFAOYSA-N 1 0 300.410 3.134 10 0 DGAERO CC[N@H+](Cc1cc(Br)ccc1OC)[C@H](C)COC ZINC000042252237 183247610 /nfs/dbraw/zinc/24/76/10/183247610.db2.gz JOQJTAPUUHTQAB-LLVKDONJSA-N 1 0 316.239 3.315 10 0 DGAERO CCOc1ccc(C(C)=O)cc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246638715 432150174 /nfs/dbraw/zinc/15/01/74/432150174.db2.gz IDRLHGRRYKCAII-KBXCAEBGSA-N 1 0 318.461 3.202 10 0 DGAERO CC(C)N(CCC(N)=[NH2+])Cc1ccc(F)c(Br)c1 ZINC000042529813 183281092 /nfs/dbraw/zinc/28/10/92/183281092.db2.gz HSUBFECHCGAHHB-UHFFFAOYSA-N 1 0 316.218 3.125 10 0 DGAERO Cc1ccc2cc(C(=O)NC3CCC(C[NH+](C)C)CC3)[nH]c2c1 ZINC000153396993 284669938 /nfs/dbraw/zinc/66/99/38/284669938.db2.gz MUGSCSDQSGDMBJ-UHFFFAOYSA-N 1 0 313.445 3.327 10 0 DGAERO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000042846448 183314171 /nfs/dbraw/zinc/31/41/71/183314171.db2.gz LKBYFLQTTDUGTA-INIZCTEOSA-N 1 0 315.461 3.265 10 0 DGAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)n1cc(Br)cn1 ZINC000042947571 183320980 /nfs/dbraw/zinc/32/09/80/183320980.db2.gz AFTUSIVLRPMFML-PELKAZGASA-N 1 0 314.614 3.236 10 0 DGAERO CC(C)c1nccn1[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955981 183322670 /nfs/dbraw/zinc/32/26/70/183322670.db2.gz UQZROVVYDQKNHX-CYBMUJFWSA-N 1 0 308.223 3.317 10 0 DGAERO CC(C)OCCO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042957390 183323037 /nfs/dbraw/zinc/32/30/37/183323037.db2.gz AAXMZOTZECUTLY-RISCZKNCSA-N 1 0 316.239 3.279 10 0 DGAERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)n1cc(Br)cn1 ZINC000043016828 183327338 /nfs/dbraw/zinc/32/73/38/183327338.db2.gz DPEGYFTZEQSELS-UFBFGSQYSA-N 1 0 314.614 3.236 10 0 DGAERO CCCCOCCO[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043023472 183330344 /nfs/dbraw/zinc/33/03/44/183330344.db2.gz BMMRBUDHGJTJLS-AWEZNQCLSA-N 1 0 316.239 3.282 10 0 DGAERO C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccs1 ZINC000043289398 183351640 /nfs/dbraw/zinc/35/16/40/183351640.db2.gz IHRIKGKEGYOMSV-CYBMUJFWSA-N 1 0 307.463 3.079 10 0 DGAERO CC(C)[N@H+](CCC(N)=S)Cc1cc(Br)cs1 ZINC000043687171 183380208 /nfs/dbraw/zinc/38/02/08/183380208.db2.gz USHRRAUOILDCDC-UHFFFAOYSA-N 1 0 321.309 3.397 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCCCC[NH+]2CCC(C)CC2)o1 ZINC000043722689 183383363 /nfs/dbraw/zinc/38/33/63/183383363.db2.gz XLCFGRQZNBUDIJ-INIZCTEOSA-N 1 0 321.465 3.460 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](c2cc(F)cc(F)c2)C1 ZINC000044136342 183396548 /nfs/dbraw/zinc/39/65/48/183396548.db2.gz SELFEUKUPAZDDY-ZIAGYGMSSA-N 1 0 312.360 3.017 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284402130 218012031 /nfs/dbraw/zinc/01/20/31/218012031.db2.gz PUSKSAUZZRQCTN-OAHLLOKOSA-N 1 0 313.445 3.469 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CCC2(C)C)cc(Br)c1O ZINC000284499141 218052470 /nfs/dbraw/zinc/05/24/70/218052470.db2.gz VOQLOMUXKMRJHG-GFCCVEGCSA-N 1 0 314.223 3.442 10 0 DGAERO O=C(Nc1cccc(C(F)F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105030887 194065313 /nfs/dbraw/zinc/06/53/13/194065313.db2.gz YTBBQUUAWAHEPJ-CQSZACIVSA-N 1 0 309.360 3.326 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105032800 194066041 /nfs/dbraw/zinc/06/60/41/194066041.db2.gz KGLBGMQTLRMFFB-RHSMWYFYSA-N 1 0 317.433 3.096 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC000105087096 194071932 /nfs/dbraw/zinc/07/19/32/194071932.db2.gz NPZKMJFPIDXAAY-HUUCEWRRSA-N 1 0 307.438 3.069 10 0 DGAERO C[C@@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC000185439966 284757803 /nfs/dbraw/zinc/75/78/03/284757803.db2.gz UZHXHQWBCKDEPY-MLGOLLRUSA-N 1 0 305.809 3.183 10 0 DGAERO CC[C@H](c1ccccc1)[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864859 194149495 /nfs/dbraw/zinc/14/94/95/194149495.db2.gz AIPZLCSBFICLOB-WMLDXEAASA-N 1 0 314.433 3.208 10 0 DGAERO CCn1cnnc1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000105928937 194173404 /nfs/dbraw/zinc/17/34/04/194173404.db2.gz VFAQDZDAQCNWQZ-UHFFFAOYSA-N 1 0 304.825 3.331 10 0 DGAERO CC(C)Cc1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000106068905 194183626 /nfs/dbraw/zinc/18/36/26/194183626.db2.gz NLQYIXUKDZOXFF-UHFFFAOYSA-N 1 0 324.472 3.387 10 0 DGAERO Cc1nc(CN2CCC[N@H+](Cc3cccc(F)c3)CC2)cs1 ZINC000106146157 194187001 /nfs/dbraw/zinc/18/70/01/194187001.db2.gz SVJFTRQTBPGXMO-UHFFFAOYSA-N 1 0 319.449 3.299 10 0 DGAERO Cc1cnn(C[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3C)CCO2)c1 ZINC000106194093 194190039 /nfs/dbraw/zinc/19/00/39/194190039.db2.gz CBGVPMVBXLZJPH-SFHVURJKSA-N 1 0 313.445 3.018 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](CCOc3ccccc3F)C2)c1 ZINC000106224724 194191471 /nfs/dbraw/zinc/19/14/71/194191471.db2.gz UCTTVMZOMSLSNW-HNNXBMFYSA-N 1 0 303.381 3.047 10 0 DGAERO CC[NH2+][C@H](CCOC)Cc1ccc(OC)c(Br)c1 ZINC000049600021 183746958 /nfs/dbraw/zinc/74/69/58/183746958.db2.gz KMYFZQDYRJCGMI-GFCCVEGCSA-N 1 0 316.239 3.015 10 0 DGAERO OCCC1([NH2+]Cc2sccc2Br)CCCC1 ZINC000285353041 218394121 /nfs/dbraw/zinc/39/41/21/218394121.db2.gz BAUFEXBOTIGNSW-UHFFFAOYSA-N 1 0 304.253 3.295 10 0 DGAERO CC(C)[NH2+]C[C@H](c1ccccc1)n1cc(Br)cn1 ZINC000052577622 183865295 /nfs/dbraw/zinc/86/52/95/183865295.db2.gz SEKDWMODTRLOBA-CQSZACIVSA-N 1 0 308.223 3.233 10 0 DGAERO C[C@@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000052882722 183878730 /nfs/dbraw/zinc/87/87/30/183878730.db2.gz OPPZBCGPZQPMGC-PXAZEXFGSA-N 1 0 302.805 3.391 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)C1(C)C ZINC000245851997 284847024 /nfs/dbraw/zinc/84/70/24/284847024.db2.gz GMUQXQGHEFQPBD-AEGPPILISA-N 1 0 323.868 3.107 10 0 DGAERO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC000110596413 194341823 /nfs/dbraw/zinc/34/18/23/194341823.db2.gz FCCNYUOWAOZISG-AYHJJNSGSA-N 1 0 308.429 3.393 10 0 DGAERO Cc1nc(CC(C)C)sc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000110695205 194350611 /nfs/dbraw/zinc/35/06/11/194350611.db2.gz YOKVIJYBMVEHOR-ZDUSSCGKSA-N 1 0 323.506 3.254 10 0 DGAERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000110791836 194359483 /nfs/dbraw/zinc/35/94/83/194359483.db2.gz FAYCYHHWHOUWDZ-JTQLQIEISA-N 1 0 301.217 3.113 10 0 DGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246009058 284861333 /nfs/dbraw/zinc/86/13/33/284861333.db2.gz HHWFEJGZRNZSLP-SOUVJXGZSA-N 1 0 322.399 3.011 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)c(Br)c1 ZINC000055368163 183982442 /nfs/dbraw/zinc/98/24/42/183982442.db2.gz MUTVCFCSMNOOMK-AWEZNQCLSA-N 1 0 319.202 3.396 10 0 DGAERO Cc1ccc(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000057030361 184025416 /nfs/dbraw/zinc/02/54/16/184025416.db2.gz QTJYZJOCWQZQES-HNNXBMFYSA-N 1 0 318.442 3.145 10 0 DGAERO [NH3+][C@H](Cc1ccncc1)Cc1cc(Br)ccc1F ZINC000060708697 184154492 /nfs/dbraw/zinc/15/44/92/184154492.db2.gz FIAATHJCAKTFRS-CYBMUJFWSA-N 1 0 309.182 3.096 10 0 DGAERO c1ccc2c(c1)cccc2OCCN1CCC[N@@H+](C2CC2)CC1 ZINC000061040709 184160265 /nfs/dbraw/zinc/16/02/65/184160265.db2.gz KTASHPCNGNMILS-UHFFFAOYSA-N 1 0 310.441 3.389 10 0 DGAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000061270188 184167303 /nfs/dbraw/zinc/16/73/03/184167303.db2.gz LKTRUAMRMKLWAW-QWRGUYRKSA-N 1 0 313.239 3.014 10 0 DGAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000061295719 184167999 /nfs/dbraw/zinc/16/79/99/184167999.db2.gz ORKNXHCNZVUFAC-UHFFFAOYSA-N 1 0 303.233 3.340 10 0 DGAERO Cc1ccc(C)c(SCC(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061605886 184177532 /nfs/dbraw/zinc/17/75/32/184177532.db2.gz DOWNNGXJOJHLCQ-UHFFFAOYSA-N 1 0 318.486 3.092 10 0 DGAERO CC[NH2+][C@H](C)c1ccc(OCCOC)c(Br)c1 ZINC000061698998 184183733 /nfs/dbraw/zinc/18/37/33/184183733.db2.gz VTDNYNLTXGEGJS-SNVBAGLBSA-N 1 0 302.212 3.145 10 0 DGAERO CC(C)OCCOc1ccc([C@@H](C)[NH3+])cc1Br ZINC000061698907 184183972 /nfs/dbraw/zinc/18/39/72/184183972.db2.gz PAWNBSWHCZHULY-SNVBAGLBSA-N 1 0 302.212 3.273 10 0 DGAERO C[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1Cl ZINC000061795403 184187767 /nfs/dbraw/zinc/18/77/67/184187767.db2.gz NMABSJWGHFJVDZ-ZDUSSCGKSA-N 1 0 321.852 3.281 10 0 DGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112373789 194467137 /nfs/dbraw/zinc/46/71/37/194467137.db2.gz RUGVRDLIHBJQAS-SKDRFNHKSA-N 1 0 306.207 3.337 10 0 DGAERO COc1ccc(Cl)cc1CN1CC[NH2+]Cc2ccccc21 ZINC000062818810 184253873 /nfs/dbraw/zinc/25/38/73/184253873.db2.gz PDHAFTAERGGFDW-UHFFFAOYSA-N 1 0 302.805 3.458 10 0 DGAERO C[NH2+]Cc1ccc(OCCc2ccncc2)c(Br)c1 ZINC000062700826 184247833 /nfs/dbraw/zinc/24/78/33/184247833.db2.gz FHUNBCAMYYNGKX-UHFFFAOYSA-N 1 0 321.218 3.185 10 0 DGAERO Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000063022322 184267209 /nfs/dbraw/zinc/26/72/09/184267209.db2.gz OVTFKXGVGGVMDH-GOEBONIOSA-N 1 0 306.837 3.253 10 0 DGAERO C[NH2+]CC1CCN(Cc2c(Cl)cc(C)nc2Cl)CC1 ZINC000063165827 184275000 /nfs/dbraw/zinc/27/50/00/184275000.db2.gz BFUGHMNARLBACU-UHFFFAOYSA-N 1 0 302.249 3.128 10 0 DGAERO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000066187234 184396037 /nfs/dbraw/zinc/39/60/37/184396037.db2.gz IJWSFWPQNFSSKQ-KBPBESRZSA-N 1 0 307.463 3.079 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000069135397 184500057 /nfs/dbraw/zinc/50/00/57/184500057.db2.gz BPLGIGIERGFBBR-KOLCDFICSA-N 1 0 322.257 3.221 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)CS(C)(=O)=O ZINC000248543593 285004264 /nfs/dbraw/zinc/00/42/64/285004264.db2.gz DBSVJSIXGGAZRM-BPQIPLTHSA-N 1 0 323.502 3.058 10 0 DGAERO Brc1ccn2cc(C[N@@H+]3CC[C@H]3C3CC3)nc2c1 ZINC000449424311 532974577 /nfs/dbraw/zinc/97/45/77/532974577.db2.gz DMGUTFAKVQZKHF-ZDUSSCGKSA-N 1 0 306.207 3.081 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000248651384 285014510 /nfs/dbraw/zinc/01/45/10/285014510.db2.gz MXYDLCKAXBMBNO-QGPMSJSTSA-N 1 0 309.425 3.181 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2cc[nH]c2c1 ZINC000248654665 285015190 /nfs/dbraw/zinc/01/51/90/285015190.db2.gz PQSXVVXLTAKIMW-KBPBESRZSA-N 1 0 314.433 3.410 10 0 DGAERO Cc1cccc2c(NC[C@H](O)C3CCOCC3)c(C)c[nH+]c12 ZINC000274200786 207686163 /nfs/dbraw/zinc/68/61/63/207686163.db2.gz UBUATUNIFBLQQR-INIZCTEOSA-N 1 0 300.402 3.051 10 0 DGAERO CCS(=O)(=O)C1CC[NH+](CC[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000248738227 285021537 /nfs/dbraw/zinc/02/15/37/285021537.db2.gz CLYDBOSEDHTIMW-ZSHCYNCHSA-N 1 0 315.523 3.348 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc2c(c1)OCCCO2 ZINC000248157931 207671729 /nfs/dbraw/zinc/67/17/29/207671729.db2.gz RRCJBCXGQBMUDO-WPPQDWHVSA-N 1 0 317.429 3.312 10 0 DGAERO CC1(C)CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000175446728 252692202 /nfs/dbraw/zinc/69/22/02/252692202.db2.gz DMRFRJSCRZSVNU-UHFFFAOYSA-N 1 0 321.509 3.473 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000248755299 285023565 /nfs/dbraw/zinc/02/35/65/285023565.db2.gz HGMYYXUXYMOBAF-CLLJXQQHSA-N 1 0 304.365 3.214 10 0 DGAERO CCc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1F ZINC000178974736 252740750 /nfs/dbraw/zinc/74/07/50/252740750.db2.gz TZWRGMLDKISOQX-INIZCTEOSA-N 1 0 319.424 3.480 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000248851291 285032018 /nfs/dbraw/zinc/03/20/18/285032018.db2.gz UBSHUYZLUIESJW-DRXBFXEBSA-N 1 0 304.365 3.214 10 0 DGAERO Cc1ccc(C)c(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)c1 ZINC000119665358 195013747 /nfs/dbraw/zinc/01/37/47/195013747.db2.gz BWODAGNFISBKPE-UHFFFAOYSA-N 1 0 304.434 3.131 10 0 DGAERO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@H](C)C1 ZINC000248989912 285043494 /nfs/dbraw/zinc/04/34/94/285043494.db2.gz GYEOLGABCOVVRO-HZPDHXFCSA-N 1 0 323.502 3.235 10 0 DGAERO COc1ccc([C@@H]([NH2+]C[C@H](O)COC(C)(C)C)C(C)C)cc1 ZINC000119847200 195047264 /nfs/dbraw/zinc/04/72/64/195047264.db2.gz JMMVJIONOFMQPH-RDJZCZTQSA-N 1 0 309.450 3.158 10 0 DGAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000249107356 285056120 /nfs/dbraw/zinc/05/61/20/285056120.db2.gz VOBYHHWPTPOIOE-RCCFBDPRSA-N 1 0 305.462 3.163 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCc1cccs1)c1cccc(Cl)c1 ZINC000120038588 195084885 /nfs/dbraw/zinc/08/48/85/195084885.db2.gz HSWTVAAGLCXJTE-LLVKDONJSA-N 1 0 308.834 3.369 10 0 DGAERO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC000438997345 533022300 /nfs/dbraw/zinc/02/23/00/533022300.db2.gz GQYUBSXWNQHTNS-SNVBAGLBSA-N 1 0 319.430 3.269 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1cccc(Cl)c1 ZINC000249200135 285063226 /nfs/dbraw/zinc/06/32/26/285063226.db2.gz SQADMSHMKVHKNG-HUUCEWRRSA-N 1 0 318.852 3.447 10 0 DGAERO Cc1cc(Cl)cnc1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333292047 252947723 /nfs/dbraw/zinc/94/77/23/252947723.db2.gz JJHLBWDZQOOBLG-AWEZNQCLSA-N 1 0 322.840 3.039 10 0 DGAERO Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000333358625 252950001 /nfs/dbraw/zinc/95/00/01/252950001.db2.gz SLUPWMXOGDUSHO-AWEZNQCLSA-N 1 0 300.406 3.082 10 0 DGAERO CC(C)c1ncsc1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333353950 252950023 /nfs/dbraw/zinc/95/00/23/252950023.db2.gz RTWOXKFILNEDKY-ZDUSSCGKSA-N 1 0 322.478 3.262 10 0 DGAERO CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000333813360 252972997 /nfs/dbraw/zinc/97/29/97/252972997.db2.gz PXVUWQJVTDBLII-DAYGRLMNSA-N 1 0 315.461 3.046 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(CCO)CC1 ZINC000336783845 253001130 /nfs/dbraw/zinc/00/11/30/253001130.db2.gz GZCZLAYLUDTTAK-LBPRGKRZSA-N 1 0 312.251 3.132 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000336793899 253002296 /nfs/dbraw/zinc/00/22/96/253002296.db2.gz YVZNVAZZYGCBBB-SKDRFNHKSA-N 1 0 312.207 3.108 10 0 DGAERO CC(C)[N@@H+](Cc1ccc(F)c(Br)c1)C[C@@H](C)O ZINC000337136987 253052263 /nfs/dbraw/zinc/05/22/63/253052263.db2.gz NQMPLKFQCXSRAO-SNVBAGLBSA-N 1 0 304.203 3.179 10 0 DGAERO Cc1c(C[NH2+]CCC2=CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000120153013 195107054 /nfs/dbraw/zinc/10/70/54/195107054.db2.gz BAIOXBMOKLGRAW-UHFFFAOYSA-N 1 0 311.429 3.074 10 0 DGAERO CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249604621 285082874 /nfs/dbraw/zinc/08/28/74/285082874.db2.gz ZHVPEJBTWWTDIC-FZKQIMNGSA-N 1 0 319.424 3.178 10 0 DGAERO C[C@H](C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000249845628 285089956 /nfs/dbraw/zinc/08/99/56/285089956.db2.gz OKQVCEISFCSIQQ-MFKMUULPSA-N 1 0 307.743 3.443 10 0 DGAERO CC(C)OC1CC([NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000249971690 285091692 /nfs/dbraw/zinc/09/16/92/285091692.db2.gz KOQLVSQFYFANQQ-PCHAPFSGSA-N 1 0 324.415 3.256 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)ccc1OC(F)F ZINC000251870164 285099517 /nfs/dbraw/zinc/09/95/17/285099517.db2.gz OXQXBMZWVGVTKK-IAQYHMDHSA-N 1 0 315.360 3.153 10 0 DGAERO C[N@H+](Cc1coc2ccccc12)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120186086 195113892 /nfs/dbraw/zinc/11/38/92/195113892.db2.gz PUYLYMNGBABVTI-MRXNPFEDSA-N 1 0 322.412 3.324 10 0 DGAERO COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](C)[C@H](OC)C3)ccc2o1 ZINC000251777192 285098312 /nfs/dbraw/zinc/09/83/12/285098312.db2.gz LFQYKYHJWURSRN-SJKOYZFVSA-N 1 0 317.385 3.076 10 0 DGAERO CC[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000338238123 253248354 /nfs/dbraw/zinc/24/83/54/253248354.db2.gz YXCCWJWTTXLTAH-WBVHZDCISA-N 1 0 303.450 3.139 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H](C)c1ccccc1 ZINC000253548002 285110393 /nfs/dbraw/zinc/11/03/93/285110393.db2.gz AMNJQXXRQIPQOM-CGTJXYLNSA-N 1 0 300.446 3.265 10 0 DGAERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(F)c1 ZINC000159175394 197332728 /nfs/dbraw/zinc/33/27/28/197332728.db2.gz FORKHFOFLMRKIS-RDTXWAMCSA-N 1 0 314.404 3.176 10 0 DGAERO COc1cccc([C@H](C)[NH+]2CCC(N3CCCCC3=O)CC2)c1 ZINC000120208333 195119362 /nfs/dbraw/zinc/11/93/62/195119362.db2.gz JWGGHHSYVIVJDN-HNNXBMFYSA-N 1 0 316.445 3.233 10 0 DGAERO c1cnc2c(c1)nccc2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000338645969 253325950 /nfs/dbraw/zinc/32/59/50/253325950.db2.gz WOKMBAQZAZGMGE-UHFFFAOYSA-N 1 0 318.424 3.260 10 0 DGAERO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120222583 195121723 /nfs/dbraw/zinc/12/17/23/195121723.db2.gz QNEWOFAAEGMJRZ-QGZVFWFLSA-N 1 0 314.408 3.025 10 0 DGAERO c1ccc(OCC2CC2)c(C[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000339502412 253479484 /nfs/dbraw/zinc/47/94/84/253479484.db2.gz ADBLKRJJIYIMST-UHFFFAOYSA-N 1 0 323.440 3.475 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)cc2)n1 ZINC000339515105 253480675 /nfs/dbraw/zinc/48/06/75/253480675.db2.gz OEPYMMASLGWLLL-PKOBYXMFSA-N 1 0 304.397 3.161 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000158415941 197270322 /nfs/dbraw/zinc/27/03/22/197270322.db2.gz IRBYPMRZRBVELK-AWEZNQCLSA-N 1 0 316.405 3.084 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C=C\c2ccc(Cl)cc2)C[C@H]1C ZINC000255486257 285157992 /nfs/dbraw/zinc/15/79/92/285157992.db2.gz NMNWKITWJSQHAS-YIEVGGLXSA-N 1 0 322.880 3.396 10 0 DGAERO CC(C)(C)[NH+]1CCC(NC(=O)NC/C=C\c2ccccc2)CC1 ZINC000255498269 285158947 /nfs/dbraw/zinc/15/89/47/285158947.db2.gz UQAAZCWLTHJFDN-YFHOEESVSA-N 1 0 315.461 3.262 10 0 DGAERO C[C@@H](CCn1cccn1)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000157923413 197227825 /nfs/dbraw/zinc/22/78/25/197227825.db2.gz DZIWNPVXZJOXFV-HOTGVXAUSA-N 1 0 309.417 3.198 10 0 DGAERO Cc1nc2cc(NC(=O)N3CCC([NH2+]C(C)C)CC3)ccc2o1 ZINC000157909902 197226671 /nfs/dbraw/zinc/22/66/71/197226671.db2.gz UTLHQFZNCRGCQX-UHFFFAOYSA-N 1 0 316.405 3.131 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C=C\c2ccc(F)cc2)C[C@@H]1CC ZINC000255554626 285163776 /nfs/dbraw/zinc/16/37/76/285163776.db2.gz LUAGCHNGRIDWBX-VOFKWLDRSA-N 1 0 320.452 3.272 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)c2)cn1 ZINC000342822224 254059972 /nfs/dbraw/zinc/05/99/72/254059972.db2.gz KIPKKYHOSFGPDV-HOTGVXAUSA-N 1 0 303.431 3.077 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2cn3cc(C)ccc3n2)s1 ZINC000157510811 197192841 /nfs/dbraw/zinc/19/28/41/197192841.db2.gz MOLBKTMLJWSCMH-UHFFFAOYSA-N 1 0 300.431 3.082 10 0 DGAERO Cc1cnc(CCN(C)Cc2nc3ccccc3n2C)s1 ZINC000157541942 197195043 /nfs/dbraw/zinc/19/50/43/197195043.db2.gz JOQCCBVLLCICIK-UHFFFAOYSA-N 1 0 300.431 3.013 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2cnc(C(C)(C)C)s2)C1 ZINC000255695761 285174895 /nfs/dbraw/zinc/17/48/95/285174895.db2.gz MJKUKHKSHQPQHU-LJTDUEICSA-N 1 0 321.490 3.054 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000157154285 197166856 /nfs/dbraw/zinc/16/68/56/197166856.db2.gz VABMRJPEUCOKRT-JOHXTKAHSA-N 1 0 316.420 3.172 10 0 DGAERO c1sc(COc2ccccc2)nc1C[NH2+]CC[C@H]1CCOC1 ZINC000344268140 254248117 /nfs/dbraw/zinc/24/81/17/254248117.db2.gz LKLDPEGYMMPZBZ-AWEZNQCLSA-N 1 0 318.442 3.238 10 0 DGAERO c1sc(COc2ccccc2)nc1C[NH2+]CC[C@@H]1CCOC1 ZINC000344268141 254248144 /nfs/dbraw/zinc/24/81/44/254248144.db2.gz LKLDPEGYMMPZBZ-CQSZACIVSA-N 1 0 318.442 3.238 10 0 DGAERO c1ccc(OCc2ccncc2)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000344279181 254249788 /nfs/dbraw/zinc/24/97/88/254249788.db2.gz VONIEUHHSSMVCB-KRWDZBQOSA-N 1 0 312.413 3.177 10 0 DGAERO O=C(N[C@@H]1CCc2cc(Cl)ccc21)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262411272 285194844 /nfs/dbraw/zinc/19/48/44/285194844.db2.gz DRVWPUJUYSZGEF-ZFVVBOAOSA-N 1 0 318.848 3.364 10 0 DGAERO CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262532251 285195612 /nfs/dbraw/zinc/19/56/12/285195612.db2.gz NZTBAPKLANPYDA-MHORFTMASA-N 1 0 300.446 3.045 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000155554852 197066405 /nfs/dbraw/zinc/06/64/05/197066405.db2.gz XMSHJBPXKLKSTJ-MFKMUULPSA-N 1 0 315.244 3.452 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nnc(-c2ccccc2)s1 ZINC000155300283 197041722 /nfs/dbraw/zinc/04/17/22/197041722.db2.gz JCCRSAODJOIXPZ-OAHLLOKOSA-N 1 0 316.474 3.121 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000155216646 197032891 /nfs/dbraw/zinc/03/28/91/197032891.db2.gz FEEBQFGFSCSEIT-LSDHHAIUSA-N 1 0 324.415 3.277 10 0 DGAERO NC(=O)N1CCC([NH2+]CC2(c3cccs3)CCCCC2)CC1 ZINC000155182088 197029306 /nfs/dbraw/zinc/02/93/06/197029306.db2.gz HHKKQFOAJCIRSG-UHFFFAOYSA-N 1 0 321.490 3.083 10 0 DGAERO CCn1c(C[N@H+](C)CCC2CCOCC2)nc2cc(F)ccc21 ZINC000120584063 195194642 /nfs/dbraw/zinc/19/46/42/195194642.db2.gz QWYYLLYZUJDIQO-UHFFFAOYSA-N 1 0 319.424 3.444 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c(F)c1 ZINC000120495784 195178036 /nfs/dbraw/zinc/17/80/36/195178036.db2.gz ZJBQSNQAYJYRFL-NEPJUHHUSA-N 1 0 319.424 3.466 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1F ZINC000120554888 195188931 /nfs/dbraw/zinc/18/89/31/195188931.db2.gz BMHCDJQQODGXOX-RYUDHWBXSA-N 1 0 319.424 3.466 10 0 DGAERO COc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1F ZINC000120557333 195189488 /nfs/dbraw/zinc/18/94/88/195189488.db2.gz IHBSHWNCKCBLPV-MQYQWHSLSA-N 1 0 322.424 3.273 10 0 DGAERO CCC1(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCCC1 ZINC000120601877 195199632 /nfs/dbraw/zinc/19/96/32/195199632.db2.gz GGBZAOKTCWGEID-UHFFFAOYSA-N 1 0 306.425 3.474 10 0 DGAERO Cc1nc2ccccc2nc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301347693 285272922 /nfs/dbraw/zinc/27/29/22/285272922.db2.gz HVXMUVRCEDQPDO-UHFFFAOYSA-N 1 0 310.445 3.250 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)cc2C)[C@H](C)C1 ZINC000120688035 195217052 /nfs/dbraw/zinc/21/70/52/195217052.db2.gz FCMOZXCZNKNSQK-PBHICJAKSA-N 1 0 319.449 3.198 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](CC[C@@H]3CCOC3=O)C2)n1 ZINC000120724145 195224163 /nfs/dbraw/zinc/22/41/63/195224163.db2.gz DIGTVMDNBDMOJY-ZIAGYGMSSA-N 1 0 322.474 3.399 10 0 DGAERO Cc1cccnc1CC[NH2+]Cc1ccccc1Br ZINC000294932781 224320643 /nfs/dbraw/zinc/32/06/43/224320643.db2.gz GKBOMGOIMCGQNU-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO O[C@@H]1CC[C@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000249083440 285326450 /nfs/dbraw/zinc/32/64/50/285326450.db2.gz MWUVXXVEEYRBLE-XCRHUMRWSA-N 1 0 301.430 3.140 10 0 DGAERO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](c4ccnc(C)n4)O[C@H]3C2)cc1 ZINC000248131919 257108562 /nfs/dbraw/zinc/10/85/62/257108562.db2.gz YYMDUOIGRXZJHW-HOJAQTOUSA-N 1 0 323.440 3.446 10 0 DGAERO Cc1ccc(CN2CCO[C@@H]3C[N@H+](CC4CCCCC4)C[C@@H]32)o1 ZINC000248061878 257110896 /nfs/dbraw/zinc/11/08/96/257110896.db2.gz DEYNHGGMZCKUOP-RBUKOAKNSA-N 1 0 318.461 3.053 10 0 DGAERO Cc1ccsc1C[N@H+]1CC[C@@H]2O[C@H](c3nc(C)no3)CC[C@@H]21 ZINC000248038963 257110941 /nfs/dbraw/zinc/11/09/41/257110941.db2.gz RYWNQALFUFKYBL-IHRRRGAJSA-N 1 0 319.430 3.243 10 0 DGAERO Cc1nccc([C@@H]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3O2)n1 ZINC000247975933 257113225 /nfs/dbraw/zinc/11/32/25/257113225.db2.gz UXUXWXYVQMCOGI-NEWSRXKRSA-N 1 0 309.413 3.137 10 0 DGAERO CO[C@H]1CC[N@H+](Cc2cc(C)on2)C[C@H]1Cc1ccccc1 ZINC000247905017 257115314 /nfs/dbraw/zinc/11/53/14/257115314.db2.gz JSYRYJPDHROWCR-AEFFLSMTSA-N 1 0 300.402 3.063 10 0 DGAERO CO[C@@H]1CC[N@H+](Cc2cc(C)on2)C[C@H]1Cc1ccccc1 ZINC000247905019 257115344 /nfs/dbraw/zinc/11/53/44/257115344.db2.gz JSYRYJPDHROWCR-SJLPKXTDSA-N 1 0 300.402 3.063 10 0 DGAERO c1coc(C[N@H+]2CC[C@@H](OCC3CC3)[C@H]2Cc2ccncc2)c1 ZINC000247850293 257116251 /nfs/dbraw/zinc/11/62/51/257116251.db2.gz RDCOTLOJEVQQKJ-RTBURBONSA-N 1 0 312.413 3.287 10 0 DGAERO Fc1ccc(C[NH2+]CCCOC(F)(F)C(F)(F)F)cc1 ZINC000096308420 257133748 /nfs/dbraw/zinc/13/37/48/257133748.db2.gz BMTUYCXYYMITAD-UHFFFAOYSA-N 1 0 301.230 3.477 10 0 DGAERO Cc1noc([C@@H]2CC[C@@H]3[C@H](CC[N@@H+]3Cc3ccc(F)cc3)O2)n1 ZINC000503716555 257209930 /nfs/dbraw/zinc/20/99/30/257209930.db2.gz HFTOFNUXXXQSAF-PMPSAXMXSA-N 1 0 317.364 3.012 10 0 DGAERO CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000237015667 257239748 /nfs/dbraw/zinc/23/97/48/257239748.db2.gz WSXDVNRRBRHNPB-MLOHMYSRSA-N 1 0 316.445 3.215 10 0 DGAERO Cc1cccnc1CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000295016207 224380758 /nfs/dbraw/zinc/38/07/58/224380758.db2.gz MPWJZWQMZYQWLY-FXAWDEMLSA-N 1 0 309.457 3.043 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](CC)CCc1nccs1 ZINC000121019223 195280378 /nfs/dbraw/zinc/28/03/78/195280378.db2.gz QLDXKWHGYXLICL-LSDHHAIUSA-N 1 0 323.506 3.187 10 0 DGAERO CCCC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(OC)cc1 ZINC000121935369 195377917 /nfs/dbraw/zinc/37/79/17/195377917.db2.gz YLGSMWYIADOYSP-KGLIPLIRSA-N 1 0 305.340 3.439 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000121652957 195324093 /nfs/dbraw/zinc/32/40/93/195324093.db2.gz YUZYIZUYSOXKIN-LSDHHAIUSA-N 1 0 321.465 3.491 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(F)cc3C)C2)n1 ZINC000121974827 195384455 /nfs/dbraw/zinc/38/44/55/195384455.db2.gz BKXITCYONLBYFC-INIZCTEOSA-N 1 0 316.424 3.255 10 0 DGAERO CC[NH2+]Cc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000123500605 195589100 /nfs/dbraw/zinc/58/91/00/195589100.db2.gz FYZFHEDQBPJASL-ACJLOTCBSA-N 1 0 310.397 3.299 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125191712 195720919 /nfs/dbraw/zinc/72/09/19/195720919.db2.gz HJADUFQONMKWFJ-UHFFFAOYSA-N 1 0 320.481 3.018 10 0 DGAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000157454639 533357235 /nfs/dbraw/zinc/35/72/35/533357235.db2.gz SMPHIIIPTPWMSV-LLVKDONJSA-N 1 0 303.324 3.398 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCc3n[nH]cc3C1)CCCO2 ZINC000090454347 292008223 /nfs/dbraw/zinc/00/82/23/292008223.db2.gz MWPPPULYPODDNZ-QAPCUYQASA-N 1 0 311.429 3.387 10 0 DGAERO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CCCC1 ZINC000357022222 285608476 /nfs/dbraw/zinc/60/84/76/285608476.db2.gz UKWRQJVMDZXBRD-DZGCQCFKSA-N 1 0 322.399 3.059 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000091548043 545835944 /nfs/dbraw/zinc/83/59/44/545835944.db2.gz MFKAKZAJDFJXQZ-VHSXEESVSA-N 1 0 318.364 3.407 10 0 DGAERO COc1ccccc1[C@H](C)N[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000006589796 400093686 /nfs/dbraw/zinc/09/36/86/400093686.db2.gz ZHABTSUWTLEGKA-STQMWFEESA-N 1 0 323.396 3.344 10 0 DGAERO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000007540717 400106452 /nfs/dbraw/zinc/10/64/52/400106452.db2.gz SVONJUZPFZHIDF-ZDUSSCGKSA-N 1 0 318.367 3.240 10 0 DGAERO Brc1ccc(CSCC2CC[NH2+]CC2)nc1 ZINC000584838291 400113650 /nfs/dbraw/zinc/11/36/50/400113650.db2.gz QQMPJDDIQCAIKV-UHFFFAOYSA-N 1 0 301.253 3.077 10 0 DGAERO Nc1c[nH+]ccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003634193 400083409 /nfs/dbraw/zinc/08/34/09/400083409.db2.gz KBWWNIUCIOYWAE-UHFFFAOYSA-N 1 0 322.334 3.009 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2cccnc2)C1 ZINC000616631208 400188436 /nfs/dbraw/zinc/18/84/36/400188436.db2.gz ZDZPYEXYRGLWOI-MRXNPFEDSA-N 1 0 319.449 3.176 10 0 DGAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000323633193 400176976 /nfs/dbraw/zinc/17/69/76/400176976.db2.gz QNYLGZCZIDSDHB-KANFNMMFSA-N 1 0 312.457 3.013 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cnc2ccccc2c1 ZINC000616584658 400177528 /nfs/dbraw/zinc/17/75/28/400177528.db2.gz LEITYOGSYUGVGP-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO CCOC(=O)c1ccc([C@H]2CCN(CC[NH3+])c3ccccc32)cc1 ZINC000616590202 400179374 /nfs/dbraw/zinc/17/93/74/400179374.db2.gz XOLHCVKKAXJCSW-QGZVFWFLSA-N 1 0 324.424 3.164 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CC[N@H+](C)CCO2)c1 ZINC000616595594 400180296 /nfs/dbraw/zinc/18/02/96/400180296.db2.gz XAFJVLZTSPNCFU-MRXNPFEDSA-N 1 0 320.433 3.451 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cncc2ccccc21 ZINC000616601069 400181697 /nfs/dbraw/zinc/18/16/97/400181697.db2.gz FICBAGVPEOTYHD-MRXNPFEDSA-N 1 0 313.401 3.116 10 0 DGAERO CNc1ccccc1[C@H]1CCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616608234 400182899 /nfs/dbraw/zinc/18/28/99/400182899.db2.gz NMBAZGJNOGDLKA-MRXNPFEDSA-N 1 0 319.449 3.390 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCCN2CC[NH3+])c1 ZINC000616608200 400183950 /nfs/dbraw/zinc/18/39/50/400183950.db2.gz NXEYQHFWXOYALW-INIZCTEOSA-N 1 0 319.449 3.154 10 0 DGAERO CNc1cccc([C@@H]2CCC[N@@H+]2CCNC(=O)OC(C)(C)C)c1 ZINC000616610630 400185093 /nfs/dbraw/zinc/18/50/93/400185093.db2.gz WMWSSVIWVNAGRL-INIZCTEOSA-N 1 0 319.449 3.390 10 0 DGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000091480055 400122478 /nfs/dbraw/zinc/12/24/78/400122478.db2.gz AVMFBAKIRRWUKW-LLVKDONJSA-N 1 0 300.324 3.342 10 0 DGAERO C[C@H]1C[NH2+]CC[C@@H]1c1cccc(I)c1 ZINC000306214689 400123746 /nfs/dbraw/zinc/12/37/46/400123746.db2.gz NOXWJEZGHXBOJI-CABZTGNLSA-N 1 0 301.171 3.004 10 0 DGAERO C[C@@H]1CS[C@@H](c2cccc(I)c2)[NH2+]1 ZINC000306651489 400125301 /nfs/dbraw/zinc/12/53/01/400125301.db2.gz SLYPUXZZJUPEAC-XCBNKYQSSA-N 1 0 305.184 3.015 10 0 DGAERO CCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000306826514 400127718 /nfs/dbraw/zinc/12/77/18/400127718.db2.gz ZMONHJUHANEODL-LBPRGKRZSA-N 1 0 301.171 3.278 10 0 DGAERO CCOC1CC(C[NH2+][C@@H](c2ccccc2)C(C)(C)C(=O)OC)C1 ZINC000586768972 400151350 /nfs/dbraw/zinc/15/13/50/400151350.db2.gz HRYFCOUSWLLCJI-PREGVCBESA-N 1 0 319.445 3.332 10 0 DGAERO CC(C)Oc1ccc(F)cc1NC(=O)NCC[NH+]1CCCCC1 ZINC000067296119 400159318 /nfs/dbraw/zinc/15/93/18/400159318.db2.gz UCSJZRDWKRQIAN-UHFFFAOYSA-N 1 0 323.412 3.220 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3ccc4ncccc4c3)C2)cc1 ZINC000616631976 400188042 /nfs/dbraw/zinc/18/80/42/400188042.db2.gz KMMSMDSYBVUWQC-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CCO)cc1 ZINC000616632141 400188362 /nfs/dbraw/zinc/18/83/62/400188362.db2.gz HUSDEGGBQJNYJS-MRXNPFEDSA-N 1 0 320.433 3.187 10 0 DGAERO CCc1nnc([C@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000601067094 400219882 /nfs/dbraw/zinc/21/98/82/400219882.db2.gz INNRWXZYDHLWNE-HOTGVXAUSA-N 1 0 320.481 3.281 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000588927661 400247150 /nfs/dbraw/zinc/24/71/50/400247150.db2.gz PEHBCGBAHCVYMJ-GFCCVEGCSA-N 1 0 319.836 3.281 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccc2ccncc2c1 ZINC000616636355 400189527 /nfs/dbraw/zinc/18/95/27/400189527.db2.gz KBMSYUSVVMGUPD-MRXNPFEDSA-N 1 0 313.401 3.116 10 0 DGAERO CCN1CC[NH2+]C[C@H]1c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC000616637861 400190780 /nfs/dbraw/zinc/19/07/80/400190780.db2.gz RJSOGXUUNICYKZ-INIZCTEOSA-N 1 0 319.449 3.024 10 0 DGAERO c1ccc(CN2CCOC[C@@H]2c2ccc3nnccc3c2)cc1 ZINC000616640580 400191433 /nfs/dbraw/zinc/19/14/33/400191433.db2.gz YDAXCCNIDDYXKP-LJQANCHMSA-N 1 0 305.381 3.203 10 0 DGAERO CC(C)N1CC[NH2+]C[C@H]1c1ccccc1NC(=O)OC(C)(C)C ZINC000616637952 400191627 /nfs/dbraw/zinc/19/16/27/400191627.db2.gz SIADFDBQVNBBLG-INIZCTEOSA-N 1 0 319.449 3.388 10 0 DGAERO OCCc1cccc([C@H]2COCCC[N@@H+]2Cc2ccccc2)c1 ZINC000616647695 400192900 /nfs/dbraw/zinc/19/29/00/400192900.db2.gz PCDOCWDUOMJTRD-HXUWFJFHSA-N 1 0 311.425 3.185 10 0 DGAERO OCCc1ccc([C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000616650752 400193189 /nfs/dbraw/zinc/19/31/89/400193189.db2.gz GDDPHZKDVHMYCQ-HXUWFJFHSA-N 1 0 311.425 3.185 10 0 DGAERO CC[N@@H+]1CCOC[C@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616661969 400194942 /nfs/dbraw/zinc/19/49/42/400194942.db2.gz WWYSBMXQSONCGI-CQSZACIVSA-N 1 0 320.433 3.469 10 0 DGAERO OCCc1cccc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)c1 ZINC000616662125 400195003 /nfs/dbraw/zinc/19/50/03/400195003.db2.gz AVAGXLNAVMNOJQ-HXUWFJFHSA-N 1 0 311.425 3.185 10 0 DGAERO c1ccc(C[N@@H+]2CCOC[C@@H](c3ccc4nnccc4c3)C2)cc1 ZINC000616660926 400195040 /nfs/dbraw/zinc/19/50/40/400195040.db2.gz RLSHHIAEAGTLMQ-IBGZPJMESA-N 1 0 319.408 3.246 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCOCC[NH2+]2)c1 ZINC000616660616 400195437 /nfs/dbraw/zinc/19/54/37/400195437.db2.gz VAEPQMLXCBLQAH-OAHLLOKOSA-N 1 0 306.406 3.109 10 0 DGAERO CC(=O)Nc1cccc([C@@H]2COCC[N@H+](Cc3ccccc3)C2)c1 ZINC000616661667 400196000 /nfs/dbraw/zinc/19/60/00/400196000.db2.gz XANHDLYEHQAPCE-IBGZPJMESA-N 1 0 324.424 3.261 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1cc2ccccc2nn1 ZINC000616669677 400197958 /nfs/dbraw/zinc/19/79/58/400197958.db2.gz USXXKEFGRDYHOX-LJQANCHMSA-N 1 0 304.397 3.082 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1ccc2ccccc2n1 ZINC000616678368 400200104 /nfs/dbraw/zinc/20/01/04/400200104.db2.gz GWMRSFBAXATZDA-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]CCOC1CCC1)c1ccccc1 ZINC000588204614 400201931 /nfs/dbraw/zinc/20/19/31/400201931.db2.gz DZIXIGKTJDNDEU-MRXNPFEDSA-N 1 0 305.418 3.086 10 0 DGAERO Cc1ccc(OCC[N@H+](C)CCCCCn2cccn2)cc1 ZINC000068456759 400263456 /nfs/dbraw/zinc/26/34/56/400263456.db2.gz HDQWYZOGBZQJMZ-UHFFFAOYSA-N 1 0 301.434 3.373 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616998427 400264715 /nfs/dbraw/zinc/26/47/15/400264715.db2.gz NTIUCWOEKGILMM-ZBFHGGJFSA-N 1 0 310.482 3.009 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000389416126 400269138 /nfs/dbraw/zinc/26/91/38/400269138.db2.gz MLIHJLLHEQTOIB-GIPNMCIBSA-N 1 0 304.217 3.121 10 0 DGAERO COC(=O)CCCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000610797526 400308428 /nfs/dbraw/zinc/30/84/28/400308428.db2.gz YBSJMDXHBCFVCX-LLVKDONJSA-N 1 0 314.223 3.443 10 0 DGAERO C[C@@H](CCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106424923 400326276 /nfs/dbraw/zinc/32/62/76/400326276.db2.gz DMZBPOHYQLAALR-FXAWDEMLSA-N 1 0 324.468 3.297 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc([S@@](C)=O)cc1 ZINC000610831179 400312196 /nfs/dbraw/zinc/31/21/96/400312196.db2.gz ICPAHZASZVQICE-ZMOMAAQPSA-N 1 0 302.443 3.273 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccncc1 ZINC000610831178 400312336 /nfs/dbraw/zinc/31/23/36/400312336.db2.gz ICPAHZASZVQICE-YPENRWOSSA-N 1 0 302.443 3.273 10 0 DGAERO Cc1ccc([C@H]([NH2+]C[C@@H]2CN(C)CCO2)c2ccccc2)cc1 ZINC000106388094 400326380 /nfs/dbraw/zinc/32/63/80/400326380.db2.gz QXKUEQWFHUEKKS-WOJBJXKFSA-N 1 0 310.441 3.005 10 0 DGAERO c1csc(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)n1 ZINC000589648723 400319170 /nfs/dbraw/zinc/31/91/70/400319170.db2.gz MLGQEBQVEUNTMX-HNNXBMFYSA-N 1 0 322.437 3.247 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000113267328 400379373 /nfs/dbraw/zinc/37/93/73/400379373.db2.gz GPHROWHXICOFLT-AAEUAGOBSA-N 1 0 317.260 3.365 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000611405457 400394623 /nfs/dbraw/zinc/39/46/23/400394623.db2.gz DZYKDNHMEAVSAZ-GFCCVEGCSA-N 1 0 303.324 3.469 10 0 DGAERO C[C@@H](OCCCNC(=O)C[NH2+][C@H](C)C(C)(C)C)c1ccccc1 ZINC000114474368 400387412 /nfs/dbraw/zinc/38/74/12/400387412.db2.gz JZUKLXVYZWOCMG-HZPDHXFCSA-N 1 0 320.477 3.295 10 0 DGAERO CC(C)CC[C@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107824770 400338177 /nfs/dbraw/zinc/33/81/77/400338177.db2.gz RXMGGOVUIXSSNU-DLBZAZTESA-N 1 0 309.498 3.471 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000112040667 400370668 /nfs/dbraw/zinc/37/06/68/400370668.db2.gz XNDNQYYNKATOHQ-QGZVFWFLSA-N 1 0 302.462 3.103 10 0 DGAERO c1nc2c(c(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n1)CCC2 ZINC000590770657 400431415 /nfs/dbraw/zinc/43/14/15/400431415.db2.gz DKSWOGJNMOXXRN-MRXNPFEDSA-N 1 0 314.477 3.058 10 0 DGAERO C[C@@H](O)CN1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C[C@@H]1C ZINC000119143864 400433860 /nfs/dbraw/zinc/43/38/60/400433860.db2.gz UEXTWGFSMHNSHG-KNXWPPODSA-N 1 0 310.526 3.226 10 0 DGAERO O=C(C[C@@H]1CN(Cc2ccccc2)CCC1=O)c1ccccc1 ZINC000118583009 400429286 /nfs/dbraw/zinc/42/92/86/400429286.db2.gz OAEABQHLSCMYQV-GOSISDBHSA-N 1 0 307.393 3.351 10 0 DGAERO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000073619583 400460206 /nfs/dbraw/zinc/46/02/06/400460206.db2.gz LHDDLDBHLYANAZ-HOTGVXAUSA-N 1 0 320.477 3.392 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ncccn2)cc1 ZINC000073387228 400447357 /nfs/dbraw/zinc/44/73/57/400447357.db2.gz LGSPMVLHNBHDEA-UONOGXRCSA-N 1 0 312.417 3.278 10 0 DGAERO C[NH+](C)C[C@H]1CN(CCCc2cccc3ccccc32)CCO1 ZINC000124658526 400477205 /nfs/dbraw/zinc/47/72/05/400477205.db2.gz XSANXAMRYYZHOU-IBGZPJMESA-N 1 0 312.457 3.035 10 0 DGAERO O[C@@H](C[NH2+]Cc1ccoc1)COc1c(Cl)cccc1Cl ZINC000126061198 400488230 /nfs/dbraw/zinc/48/82/30/400488230.db2.gz NSJNOIVGZGIFCQ-NSHDSACASA-N 1 0 316.184 3.116 10 0 DGAERO CC1(C)C[C@@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000044369297 400490087 /nfs/dbraw/zinc/49/00/87/400490087.db2.gz NTDPQKVMIVWERY-CABZTGNLSA-N 1 0 304.217 3.121 10 0 DGAERO CC1(C)C[C@@H]1[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000044369307 400490160 /nfs/dbraw/zinc/49/01/60/400490160.db2.gz NTDPQKVMIVWERY-SKDRFNHKSA-N 1 0 304.217 3.121 10 0 DGAERO C[NH+](C)C1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000130232627 400535973 /nfs/dbraw/zinc/53/59/73/400535973.db2.gz RCRBKUZOIXMKTJ-UHFFFAOYSA-N 1 0 317.260 3.398 10 0 DGAERO CCc1cnc(CC[NH2+][C@H](COC)Cc2ccccc2)s1 ZINC000130287805 400536294 /nfs/dbraw/zinc/53/62/94/400536294.db2.gz OWTBZFMUVOUVBK-HNNXBMFYSA-N 1 0 304.459 3.095 10 0 DGAERO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000357996480 285938648 /nfs/dbraw/zinc/93/86/48/285938648.db2.gz RWCPCYZFMPZDSJ-GOSISDBHSA-N 1 0 301.434 3.082 10 0 DGAERO C[NH2+]Cc1cccc2cc(S(=O)(=O)c3ccccc3)ccc21 ZINC000139943595 400613606 /nfs/dbraw/zinc/61/36/06/400613606.db2.gz JQHBVRWRGGABCE-UHFFFAOYSA-N 1 0 311.406 3.392 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)NCC[N@H+](C)C(C)C ZINC000592311394 400633908 /nfs/dbraw/zinc/63/39/08/400633908.db2.gz HJSLMPSMUUOQSK-KRWDZBQOSA-N 1 0 320.477 3.424 10 0 DGAERO CCCN(Cc1ccc(C)cc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612963904 400634534 /nfs/dbraw/zinc/63/45/34/400634534.db2.gz MMFBIMMFORNIBC-KRWDZBQOSA-N 1 0 315.461 3.059 10 0 DGAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000137196827 400594336 /nfs/dbraw/zinc/59/43/36/400594336.db2.gz ZMZLNHZMWFCZBI-SNVBAGLBSA-N 1 0 306.587 3.056 10 0 DGAERO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC2CCOCC2)CC1 ZINC000602869617 400594988 /nfs/dbraw/zinc/59/49/88/400594988.db2.gz RPLUEESMILOIKV-MRXNPFEDSA-N 1 0 314.473 3.329 10 0 DGAERO [NH3+]C1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 ZINC000147725649 400652561 /nfs/dbraw/zinc/65/25/61/400652561.db2.gz XCROTBMOUYYYIP-UHFFFAOYSA-N 1 0 303.189 3.053 10 0 DGAERO C[NH+](C)CCOc1ccc([C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000145172936 400645481 /nfs/dbraw/zinc/64/54/81/400645481.db2.gz WSJPKDUOVDFDCB-KRWDZBQOSA-N 1 0 305.805 3.362 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000153831320 400689458 /nfs/dbraw/zinc/68/94/58/400689458.db2.gz LPAABCGQCHRXRT-QYZOEREBSA-N 1 0 314.473 3.466 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCCC[C@@H]2c2ccco2)C1 ZINC000152429405 400679517 /nfs/dbraw/zinc/67/95/17/400679517.db2.gz PRXKYHZGTGVQPU-HZPDHXFCSA-N 1 0 319.449 3.391 10 0 DGAERO CN(Cc1ccc(Cl)nc1Cl)C[C@H](O)CC(F)(F)F ZINC000166572349 400754412 /nfs/dbraw/zinc/75/44/12/400754412.db2.gz YCGXAIHQKIOCGQ-MRVPVSSYSA-N 1 0 317.138 3.134 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)NCCCCSC)c1 ZINC000077575486 400728906 /nfs/dbraw/zinc/72/89/06/400728906.db2.gz ZYMFHFNRJBOFRG-UHFFFAOYSA-N 1 0 323.506 3.081 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161778205 400741211 /nfs/dbraw/zinc/74/12/11/400741211.db2.gz LJGSXAMALNWGHE-FMKPAKJESA-N 1 0 324.415 3.161 10 0 DGAERO C[C@@H]1C[C@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604176043 400752648 /nfs/dbraw/zinc/75/26/48/400752648.db2.gz TUEIVWJQHLVPRA-NJAFHUGGSA-N 1 0 315.461 3.169 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000156280502 400709556 /nfs/dbraw/zinc/70/95/56/400709556.db2.gz KAMHBVOIGRJKMM-OLZOCXBDSA-N 1 0 311.495 3.017 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000170814091 400775507 /nfs/dbraw/zinc/77/55/07/400775507.db2.gz ZWQRCXHDAOOIOP-YJBOKZPZSA-N 1 0 315.461 3.270 10 0 DGAERO CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170865765 400778096 /nfs/dbraw/zinc/77/80/96/400778096.db2.gz CGVJHURRMRUAKN-KRWDZBQOSA-N 1 0 323.440 3.231 10 0 DGAERO C[NH+](C)CC(C)(C)CNC(=O)C[C@H]1CCCc2ccccc21 ZINC000170976529 400779401 /nfs/dbraw/zinc/77/94/01/400779401.db2.gz DOMDGMKDXMLZGZ-MRXNPFEDSA-N 1 0 302.462 3.201 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516385 400872211 /nfs/dbraw/zinc/87/22/11/400872211.db2.gz XDVXBHCQHNQYNV-CQSZACIVSA-N 1 0 301.217 3.094 10 0 DGAERO C[C@@]1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC[NH2+]1 ZINC000079519943 400872306 /nfs/dbraw/zinc/87/23/06/400872306.db2.gz NPLXXDZIFCOWQT-ZDUSSCGKSA-N 1 0 304.724 3.022 10 0 DGAERO C[NH+](C)CCCCNC(=O)c1cccc(Oc2nccs2)c1 ZINC000605663196 400882301 /nfs/dbraw/zinc/88/23/01/400882301.db2.gz BPRGIERKNQQCHS-UHFFFAOYSA-N 1 0 319.430 3.007 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(cnn2C(C)C)c1 ZINC000604993418 400824868 /nfs/dbraw/zinc/82/48/68/400824868.db2.gz FFKHDUILNQSVQV-QGZVFWFLSA-N 1 0 314.433 3.430 10 0 DGAERO Cc1ccc(NC(=O)Cc2ccccc2)c(OCC[NH+](C)C)c1 ZINC000172528787 400831617 /nfs/dbraw/zinc/83/16/17/400831617.db2.gz BZJKULYEDNWQQU-UHFFFAOYSA-N 1 0 312.413 3.117 10 0 DGAERO O=C(NCCC1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172545525 400833282 /nfs/dbraw/zinc/83/32/82/400833282.db2.gz MNUVELHIJBNMQQ-UHFFFAOYSA-N 1 0 307.482 3.227 10 0 DGAERO C[C@@H](C1CC1)N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078953659 400835569 /nfs/dbraw/zinc/83/55/69/400835569.db2.gz IRCWXIXPQFQATI-HNNXBMFYSA-N 1 0 315.461 3.222 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000605141138 400842292 /nfs/dbraw/zinc/84/22/92/400842292.db2.gz IIKFXRZYCQQPRN-IAGOWNOFSA-N 1 0 318.486 3.178 10 0 DGAERO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H](C)c2ccncc2)c1 ZINC000619509170 400857813 /nfs/dbraw/zinc/85/78/13/400857813.db2.gz UEPOILPSFUGZFR-LBPRGKRZSA-N 1 0 318.804 3.415 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]C[C@@H](O)CCC(C)C)c1ccccc1 ZINC000619511197 400859021 /nfs/dbraw/zinc/85/90/21/400859021.db2.gz YZHJRQIMGYAJSV-DLBZAZTESA-N 1 0 321.461 3.314 10 0 DGAERO CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000619510964 400859033 /nfs/dbraw/zinc/85/90/33/400859033.db2.gz JAIWDKGYQPRURI-HOTGVXAUSA-N 1 0 313.482 3.227 10 0 DGAERO CCCC[N@H+](C)CCNC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000606687540 400947616 /nfs/dbraw/zinc/94/76/16/400947616.db2.gz JIZINPDUWHBZFE-INIZCTEOSA-N 1 0 305.466 3.130 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000079788277 400896590 /nfs/dbraw/zinc/89/65/90/400896590.db2.gz OWSZHDRCMMHBTH-ZBFHGGJFSA-N 1 0 303.450 3.087 10 0 DGAERO CC[C@@](C)(COc1ncccc1Cl)[NH2+]C[C@H](C)COC ZINC000188159501 400907381 /nfs/dbraw/zinc/90/73/81/400907381.db2.gz JKQSVMRGQMTWON-WFASDCNBSA-N 1 0 300.830 3.155 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCCc2occc21 ZINC000193059670 400916610 /nfs/dbraw/zinc/91/66/10/400916610.db2.gz OYDQWDMQNBKCBJ-SUMWQHHRSA-N 1 0 323.396 3.045 10 0 DGAERO CC[N@H+](CCNC(=O)NC[C@@H](C)c1ccc(C)cc1)C(C)C ZINC000606500671 400922901 /nfs/dbraw/zinc/92/29/01/400922901.db2.gz AROYPPDONKVGHU-MRXNPFEDSA-N 1 0 305.466 3.128 10 0 DGAERO CC[N@H+](CCNC(=O)NC[C@H](C)c1ccc(C)cc1)C(C)C ZINC000606500670 400923277 /nfs/dbraw/zinc/92/32/77/400923277.db2.gz AROYPPDONKVGHU-INIZCTEOSA-N 1 0 305.466 3.128 10 0 DGAERO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000232307307 400972157 /nfs/dbraw/zinc/97/21/57/400972157.db2.gz FKQWXOZNIIMASJ-KWQFWETISA-N 1 0 302.205 3.337 10 0 DGAERO CCc1sc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1C ZINC000247310485 401051282 /nfs/dbraw/zinc/05/12/82/401051282.db2.gz HLDDNZSHHZLQHQ-KGLIPLIRSA-N 1 0 308.491 3.421 10 0 DGAERO c1cncc([C@@H]([NH2+]CCOC[C@@H]2CCCO2)C2CCCCC2)c1 ZINC000607357962 401051325 /nfs/dbraw/zinc/05/13/25/401051325.db2.gz MLGBSHODRQIZTI-OALUTQOASA-N 1 0 318.461 3.488 10 0 DGAERO CO[C@H](C)CN(Cc1ccncc1Br)C(C)C ZINC000625184371 401052696 /nfs/dbraw/zinc/05/26/96/401052696.db2.gz QUICXXXCPXOGHZ-LLVKDONJSA-N 1 0 301.228 3.089 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H](C)Cc2ccc(C)cc2)C1 ZINC000247431933 401054314 /nfs/dbraw/zinc/05/43/14/401054314.db2.gz WLQBZNQIXHQQDY-SJLPKXTDSA-N 1 0 317.477 3.052 10 0 DGAERO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1cccnc1 ZINC000058543975 401058284 /nfs/dbraw/zinc/05/82/84/401058284.db2.gz JEOHKKFGOWNJAA-WMZOPIPTSA-N 1 0 322.412 3.230 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C[C@H](C)O1 ZINC000248650014 401073968 /nfs/dbraw/zinc/07/39/68/401073968.db2.gz WDRPTGPJJIDTSY-YWVIFJGQSA-N 1 0 304.409 3.406 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1c(C)cccc1OC ZINC000248844313 401078472 /nfs/dbraw/zinc/07/84/72/401078472.db2.gz SLBHTVWLHPETEZ-GJZGRUSLSA-N 1 0 317.433 3.094 10 0 DGAERO CCO[C@H](CC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000607539852 401080477 /nfs/dbraw/zinc/08/04/77/401080477.db2.gz UHLPLIOTPNZZHI-SQWLQELKSA-N 1 0 324.490 3.062 10 0 DGAERO c1ccc(CCc2noc(Cc3cccc4c3CC[NH2+]C4)n2)cc1 ZINC000629679262 401034621 /nfs/dbraw/zinc/03/46/21/401034621.db2.gz XUTFOJJNGVMTSJ-UHFFFAOYSA-N 1 0 319.408 3.091 10 0 DGAERO CCn1c(C[NH2+]CCc2nc(C)cs2)nc2ccccc21 ZINC000058062546 401041296 /nfs/dbraw/zinc/04/12/96/401041296.db2.gz UKCQXXJGJRWFBR-UHFFFAOYSA-N 1 0 300.431 3.153 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cc(Cl)ccc23)CC[N@@H+]1C ZINC000607689689 401103897 /nfs/dbraw/zinc/10/38/97/401103897.db2.gz ITRVLVORJZGVPC-JQWIXIFHSA-N 1 0 305.809 3.034 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Cl)ccc1OC ZINC000358233304 286005838 /nfs/dbraw/zinc/00/58/38/286005838.db2.gz OCOGKPUALDYQAH-PWSUYJOCSA-N 1 0 311.731 3.313 10 0 DGAERO CCOCCC[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000607727837 401111418 /nfs/dbraw/zinc/11/14/18/401111418.db2.gz RHVVUKWOVRPHKX-INIZCTEOSA-N 1 0 302.462 3.329 10 0 DGAERO COCCCN(C(=O)[C@H]1CCCCC1(C)C)C1CC[NH+](C)CC1 ZINC000358221189 286001475 /nfs/dbraw/zinc/00/14/75/286001475.db2.gz IBPJMRPGJVIOMG-QGZVFWFLSA-N 1 0 324.509 3.162 10 0 DGAERO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)sc2C1 ZINC000262629062 401119075 /nfs/dbraw/zinc/11/90/75/401119075.db2.gz VDBYZCAGSMZOFI-UTUOFQBUSA-N 1 0 307.463 3.114 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]CCN1CC=C(C)CC1)CCCO2 ZINC000358226721 286003699 /nfs/dbraw/zinc/00/36/99/286003699.db2.gz OKWSYBMWIUXHQO-SFHVURJKSA-N 1 0 316.445 3.151 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000358242444 286008997 /nfs/dbraw/zinc/00/89/97/286008997.db2.gz UCHJCCIVMQBSAE-HNNXBMFYSA-N 1 0 305.441 3.194 10 0 DGAERO Brc1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)s1 ZINC000353384449 685136029 /nfs/dbraw/zinc/13/60/29/685136029.db2.gz HZGDXXFCXRLHJR-SNVBAGLBSA-N 1 0 312.236 3.401 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCCS2)n(CCc2ccccc2)n1 ZINC000621340956 401174118 /nfs/dbraw/zinc/17/41/18/401174118.db2.gz WYPDTCGEMBEAGT-QGZVFWFLSA-N 1 0 301.459 3.111 10 0 DGAERO FC1(F)CCC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000358322834 286031602 /nfs/dbraw/zinc/03/16/02/286031602.db2.gz UHRJMERSSQPUJC-GFCCVEGCSA-N 1 0 301.406 3.279 10 0 DGAERO c1ccc(-c2noc(CC[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)n2)cc1 ZINC000625771995 401210659 /nfs/dbraw/zinc/21/06/59/401210659.db2.gz AFYBCGIIBXNQFN-CABCVRRESA-N 1 0 315.442 3.249 10 0 DGAERO Cn1ccnc1C[C@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000608076350 401180571 /nfs/dbraw/zinc/18/05/71/401180571.db2.gz ZJYNEBLOOQTDIR-SFHVURJKSA-N 1 0 307.397 3.199 10 0 DGAERO c1cc(C[NH2+]CCC[C@H]2CCOC2)n(CCc2ccccc2)n1 ZINC000621360012 401183838 /nfs/dbraw/zinc/18/38/38/401183838.db2.gz BTAHYKGOZILFNM-SFHVURJKSA-N 1 0 313.445 3.032 10 0 DGAERO c1cc(C[N@@H+]2CCCSCC2)n(CCc2ccccc2)n1 ZINC000621721379 401284356 /nfs/dbraw/zinc/28/43/56/401284356.db2.gz MQCVAMFLRWMZKB-UHFFFAOYSA-N 1 0 301.459 3.065 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCCO2)c2ccccc21 ZINC000621759545 401296317 /nfs/dbraw/zinc/29/63/17/401296317.db2.gz ZNLYJARBBCSXOO-QANKJYHBSA-N 1 0 302.418 3.032 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]CCCc2ccccn2)c2ccccc21 ZINC000621756960 401296554 /nfs/dbraw/zinc/29/65/54/401296554.db2.gz XPOFIXBJDGZURU-GOSISDBHSA-N 1 0 309.413 3.102 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)O2)c2ccccc21 ZINC000621764966 401297777 /nfs/dbraw/zinc/29/77/77/401297777.db2.gz PLDPLMPZFLIFGV-KMFMINBZSA-N 1 0 302.418 3.032 10 0 DGAERO C[NH+](C)CCCCNC(=O)c1ccccc1COC(C)(C)C ZINC000358396447 286050408 /nfs/dbraw/zinc/05/04/08/286050408.db2.gz DJHZNTUTGHKUBJ-UHFFFAOYSA-N 1 0 306.450 3.073 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1c(F)cccc1Cl ZINC000634967436 401391277 /nfs/dbraw/zinc/39/12/77/401391277.db2.gz OMGYNTWWHDSIQP-GHMZBOCLSA-N 1 0 319.829 3.097 10 0 DGAERO c1ccc([C@H]([NH2+]Cc2ccc3nccnc3c2)[C@H]2CCOC2)cc1 ZINC000634974702 401392704 /nfs/dbraw/zinc/39/27/04/401392704.db2.gz IOUUSIBZOCRVOA-PXNSSMCTSA-N 1 0 319.408 3.497 10 0 DGAERO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634976097 401393521 /nfs/dbraw/zinc/39/35/21/401393521.db2.gz NPTJTNWDLGFXAI-BZUAXINKSA-N 1 0 301.496 3.148 10 0 DGAERO O[C@@H](CC[NH2+]Cc1cc(Cl)ccc1OC(F)F)C(F)F ZINC000631217613 401428810 /nfs/dbraw/zinc/42/88/10/401428810.db2.gz WEFFHLWBEFZZSB-VIFPVBQESA-N 1 0 315.694 3.047 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1cscn1 ZINC000631220845 401429966 /nfs/dbraw/zinc/42/99/66/401429966.db2.gz BKKUPZBDBBYEFU-RDBSUJKOSA-N 1 0 321.243 3.334 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000631223228 401430135 /nfs/dbraw/zinc/43/01/35/401430135.db2.gz ZDUBWBYOKVAIIV-FLCCKXIQSA-N 1 0 324.287 3.430 10 0 DGAERO c1cnc2c(c1)CC[C@H]([NH2+]Cc1cccc3c1CCOC3)CC2 ZINC000631243847 401435631 /nfs/dbraw/zinc/43/56/31/401435631.db2.gz REAVIQXHFVNZGI-SFHVURJKSA-N 1 0 308.425 3.192 10 0 DGAERO c1cn(-c2ccc(C[NH2+]Cc3cccc4c3CCOC4)cc2)cn1 ZINC000631246092 401436217 /nfs/dbraw/zinc/43/62/17/401436217.db2.gz XXAKNSWXDLCPMA-UHFFFAOYSA-N 1 0 319.408 3.235 10 0 DGAERO Brc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)o1 ZINC000631252736 401438604 /nfs/dbraw/zinc/43/86/04/401438604.db2.gz CECBGTCNWXKWGV-JSGCOSHPSA-N 1 0 314.223 3.479 10 0 DGAERO C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CC12CCSCC2 ZINC000631640164 401521650 /nfs/dbraw/zinc/52/16/50/401521650.db2.gz XCEPSCCDDJOEMZ-VGWMRTNUSA-N 1 0 307.503 3.457 10 0 DGAERO c1[nH]nc2cccc(C[NH2+][C@@H]3CCOC4(CCSCC4)C3)c12 ZINC000623466740 401524788 /nfs/dbraw/zinc/52/47/88/401524788.db2.gz KICXOOKKXCVCIR-CQSZACIVSA-N 1 0 317.458 3.097 10 0 DGAERO c1ccc(CN2CCCCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000631681024 401533103 /nfs/dbraw/zinc/53/31/03/401533103.db2.gz UIOMKTKDLLUPBE-IBGZPJMESA-N 1 0 302.462 3.200 10 0 DGAERO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cccc(Br)c1 ZINC000631694614 401537839 /nfs/dbraw/zinc/53/78/39/401537839.db2.gz CSTNVJRJIXWHMH-KCJUWKMLSA-N 1 0 308.166 3.116 10 0 DGAERO c1cc(-c2nc(CN3CCC[C@@H]4C[NH2+]CC[C@H]43)cs2)cs1 ZINC000631888100 401563798 /nfs/dbraw/zinc/56/37/98/401563798.db2.gz UFKRSUHEEIPZKM-IUODEOHRSA-N 1 0 319.499 3.446 10 0 DGAERO c1csc(-c2nc(CN3CCC[C@@H]4C[NH2+]CC[C@H]43)cs2)c1 ZINC000631889267 401564745 /nfs/dbraw/zinc/56/47/45/401564745.db2.gz GVCUCADVFHSCHO-TZMCWYRMSA-N 1 0 319.499 3.446 10 0 DGAERO O[C@@H](CC[NH2+]Cc1csc(C(F)(F)F)c1)C(F)(F)F ZINC000628278821 401566394 /nfs/dbraw/zinc/56/63/94/401566394.db2.gz IWEFVEFUOGMLOI-ZETCQYMHSA-N 1 0 307.259 3.170 10 0 DGAERO CCc1cccc(C)c1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358468818 286070405 /nfs/dbraw/zinc/07/04/05/286070405.db2.gz MLQDTUMFBGOZMR-UHFFFAOYSA-N 1 0 301.434 3.331 10 0 DGAERO O=C1[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CCN1C1CCC1 ZINC000623840071 401586164 /nfs/dbraw/zinc/58/61/64/401586164.db2.gz MNOXRMSOBWQNFW-AWEZNQCLSA-N 1 0 313.228 3.236 10 0 DGAERO O[C@H](CC[NH2+][C@H]1CCc2ccc(Br)cc21)C(F)F ZINC000631702711 401540443 /nfs/dbraw/zinc/54/04/43/401540443.db2.gz RUGYFKHEIDAVPH-NWDGAFQWSA-N 1 0 320.177 3.042 10 0 DGAERO FC(F)(F)c1cc(C[NH2+]CCO[C@H]2CC2(F)F)cs1 ZINC000623564512 401547680 /nfs/dbraw/zinc/54/76/80/401547680.db2.gz GPHIXLBOIMSDNX-QMMMGPOBSA-N 1 0 301.280 3.281 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]3CCOC3)C1)C2 ZINC000623602441 401554215 /nfs/dbraw/zinc/55/42/15/401554215.db2.gz PTVZZZIDKAPJIV-XLNTUCKNSA-N 1 0 315.457 3.313 10 0 DGAERO c1ncn2c1c(NC[C@@H]1CCOC3(CCC3)C1)nc1ccccc12 ZINC000624252976 401644019 /nfs/dbraw/zinc/64/40/19/401644019.db2.gz QLENXIVCFULRBR-CQSZACIVSA-N 1 0 322.412 3.066 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C2 ZINC000624056109 401619740 /nfs/dbraw/zinc/61/97/40/401619740.db2.gz XWJVSOHUHKOIAV-VNTMZGSJSA-N 1 0 315.457 3.313 10 0 DGAERO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261714843 292214871 /nfs/dbraw/zinc/21/48/71/292214871.db2.gz JNSSPWZXNDMOEU-FCGDIQPGSA-N 1 0 314.473 3.465 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccccc2)C[C@@H]1C ZINC000358788193 286154335 /nfs/dbraw/zinc/15/43/35/286154335.db2.gz MUBNNDINZDJITK-RYRKJORJSA-N 1 0 302.462 3.196 10 0 DGAERO C[C@H](CSc1nnc(CCCc2ccccc2)o1)[NH+](C)C ZINC000358790257 286155052 /nfs/dbraw/zinc/15/50/52/286155052.db2.gz KAJQSONAZUDVKT-CYBMUJFWSA-N 1 0 305.447 3.287 10 0 DGAERO C[C@@H](CSc1nc(C2CC2)nn1-c1ccccc1)[NH+](C)C ZINC000358869427 286173570 /nfs/dbraw/zinc/17/35/70/286173570.db2.gz XPXBNOYVISMADV-LBPRGKRZSA-N 1 0 302.447 3.187 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000359016432 286216108 /nfs/dbraw/zinc/21/61/08/286216108.db2.gz HAEHOFAAYMWOGB-DNVCBOLYSA-N 1 0 318.436 3.433 10 0 DGAERO Cc1ccc([C@H]2CCCCN2C(=O)NC[C@H](C)[N@H+](C)C2CC2)o1 ZINC000174734048 292263786 /nfs/dbraw/zinc/26/37/86/292263786.db2.gz VITRMMDJHKDVAV-XJKSGUPXSA-N 1 0 319.449 3.307 10 0 DGAERO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1ccsc1C)c1ccco1 ZINC000359535862 286329545 /nfs/dbraw/zinc/32/95/45/286329545.db2.gz DAHWDHVNCIKIRA-IUODEOHRSA-N 1 0 320.458 3.438 10 0 DGAERO c1ccc2c(c1)CC[C@@H](C[NH+]1CCN(Cc3ccncc3)CC1)C2 ZINC000359586175 286342048 /nfs/dbraw/zinc/34/20/48/286342048.db2.gz CYKHFOZVXAQKIU-LJQANCHMSA-N 1 0 321.468 3.004 10 0 DGAERO c1cc(OCC2CC2)ccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000359672073 286358235 /nfs/dbraw/zinc/35/82/35/286358235.db2.gz JFMATYPATXROJG-UHFFFAOYSA-N 1 0 323.440 3.475 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@@H](COC)c2ccc(F)cc2)cn1 ZINC000359737201 286370949 /nfs/dbraw/zinc/37/09/49/286370949.db2.gz CRDNMXYNIKNSTP-KRWDZBQOSA-N 1 0 317.408 3.154 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000249100769 304387130 /nfs/dbraw/zinc/38/71/30/304387130.db2.gz JRGYFNBTPRKJRU-DAXOMENPSA-N 1 0 318.848 3.187 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000249091318 297140586 /nfs/dbraw/zinc/14/05/86/297140586.db2.gz KNGXJYBBSKIZSC-ZFVVBOAOSA-N 1 0 308.853 3.100 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3cccnn3)C1)[C@H](C)C2 ZINC000180903228 292368803 /nfs/dbraw/zinc/36/88/03/292368803.db2.gz DSSSNGDPPRMFBV-WRWLIDTKSA-N 1 0 322.456 3.277 10 0 DGAERO CCc1nc(C)c([C@H](C)[NH2+]CCc2cccc(OC)n2)s1 ZINC000361925592 286745567 /nfs/dbraw/zinc/74/55/67/286745567.db2.gz IMUIRKRBQWKYPG-NSHDSACASA-N 1 0 305.447 3.311 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@@H]1SC ZINC000362313368 286799573 /nfs/dbraw/zinc/79/95/73/286799573.db2.gz SVXPHIPICZGINL-CFVMTHIKSA-N 1 0 315.866 3.347 10 0 DGAERO Cc1cccc(CN(Cc2cccc(C)n2)C[C@@]2(C)CC[NH2+]C2)n1 ZINC000262130452 292445889 /nfs/dbraw/zinc/44/58/89/292445889.db2.gz YCMQSTQJXSFHLU-FQEVSTJZSA-N 1 0 324.472 3.095 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000469233248 287011739 /nfs/dbraw/zinc/01/17/39/287011739.db2.gz UTXVUDZONKQKFI-OLZOCXBDSA-N 1 0 323.403 3.137 10 0 DGAERO CCCN(CC1CC1)C(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000364768496 287059771 /nfs/dbraw/zinc/05/97/71/287059771.db2.gz IZNKVGQCBKCIGJ-CQSZACIVSA-N 1 0 303.450 3.287 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1 ZINC000174198255 164720440 /nfs/dbraw/zinc/72/04/40/164720440.db2.gz OKLIWSKEIQJXRF-AEFFLSMTSA-N 1 0 316.424 3.269 10 0 DGAERO O[C@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)CC(F)(F)F ZINC000364913159 287074995 /nfs/dbraw/zinc/07/49/95/287074995.db2.gz FANAJPZEIWWBKP-GJZGRUSLSA-N 1 0 317.351 3.057 10 0 DGAERO O[C@@H](C[NH+]1CCC(c2cccc(F)c2F)CC1)CC(F)(F)F ZINC000364952039 287079208 /nfs/dbraw/zinc/07/92/08/287079208.db2.gz APOPPIZBCBYTSB-LLVKDONJSA-N 1 0 323.305 3.458 10 0 DGAERO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000177087426 164798368 /nfs/dbraw/zinc/79/83/68/164798368.db2.gz QXSPPLQEEFAEEG-GJZGRUSLSA-N 1 0 303.450 3.015 10 0 DGAERO C[NH2+]C1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1 ZINC000179138910 164853439 /nfs/dbraw/zinc/85/34/39/164853439.db2.gz JLJSCZZEDQTKCE-UHFFFAOYSA-N 1 0 300.446 3.171 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000185354548 165002017 /nfs/dbraw/zinc/00/20/17/165002017.db2.gz UNYZJEXXACZOMQ-AWEZNQCLSA-N 1 0 323.824 3.229 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NCCC1CC[NH+](C)CC1 ZINC000185375725 165003294 /nfs/dbraw/zinc/00/32/94/165003294.db2.gz PLFSKVAWOUVSRM-UHFFFAOYSA-N 1 0 300.402 3.203 10 0 DGAERO Cc1ccc(-c2cncc(C(=O)N[C@H]3CCCC[C@H]3[NH3+])c2)cc1 ZINC000185498319 165005997 /nfs/dbraw/zinc/00/59/97/165005997.db2.gz CIJURSUIGPFDLS-MSOLQXFVSA-N 1 0 309.413 3.057 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000185787417 165016298 /nfs/dbraw/zinc/01/62/98/165016298.db2.gz URDAUSSEHOHCII-WBAXXEDZSA-N 1 0 315.461 3.015 10 0 DGAERO CC(C)[NH+]1CCC(NCc2ncc(-c3ccccc3)cn2)CC1 ZINC000186048995 165026307 /nfs/dbraw/zinc/02/63/07/165026307.db2.gz YIKGYBJXYKWGBO-UHFFFAOYSA-N 1 0 310.445 3.106 10 0 DGAERO CCCC[N@H+](C)CC1CCN(C(=O)c2c(C)noc2CC)CC1 ZINC000186235911 165033936 /nfs/dbraw/zinc/03/39/36/165033936.db2.gz NFTPCBAKYXOORV-UHFFFAOYSA-N 1 0 321.465 3.130 10 0 DGAERO CCN(C(=O)CCCSC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186310022 165037184 /nfs/dbraw/zinc/03/71/84/165037184.db2.gz IKSYVUIZHSMWTO-QGZVFWFLSA-N 1 0 320.502 3.253 10 0 DGAERO C[C@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1ccc(Cl)s1 ZINC000186537090 165048724 /nfs/dbraw/zinc/04/87/24/165048724.db2.gz GTLKCNRXHYNOPO-QWRGUYRKSA-N 1 0 312.866 3.248 10 0 DGAERO CCSCc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000186524476 165048727 /nfs/dbraw/zinc/04/87/27/165048727.db2.gz TYVRJHBOHHXLHT-INIZCTEOSA-N 1 0 318.486 3.296 10 0 DGAERO C[C@@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1ccc(Cl)s1 ZINC000186537141 165048753 /nfs/dbraw/zinc/04/87/53/165048753.db2.gz GTLKCNRXHYNOPO-GHMZBOCLSA-N 1 0 312.866 3.248 10 0 DGAERO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)c1ccc(F)cc1F ZINC000186913357 165065938 /nfs/dbraw/zinc/06/59/38/165065938.db2.gz JPIZBTBKMIXIFV-UHFFFAOYSA-N 1 0 319.355 3.140 10 0 DGAERO CCCc1cccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000187217819 165080440 /nfs/dbraw/zinc/08/04/40/165080440.db2.gz MPSGCPOYLCBMHE-SFHVURJKSA-N 1 0 310.445 3.188 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc2c1OCC2 ZINC000365053483 287091523 /nfs/dbraw/zinc/09/15/23/287091523.db2.gz KIFNPCCNHOBFHT-IPMKNSEASA-N 1 0 315.457 3.349 10 0 DGAERO c1ccc(COCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000365053910 287091584 /nfs/dbraw/zinc/09/15/84/287091584.db2.gz LAAUOVMQGFVWFF-GBESFXJTSA-N 1 0 303.446 3.388 10 0 DGAERO CCCc1cccc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)c1 ZINC000187358353 165087390 /nfs/dbraw/zinc/08/73/90/165087390.db2.gz SGNNADVDQSACQN-IBGZPJMESA-N 1 0 323.440 3.319 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C1CCSCC1 ZINC000187370213 165089271 /nfs/dbraw/zinc/08/92/71/165089271.db2.gz NXXPPPXPQSPGHP-KGLIPLIRSA-N 1 0 316.474 3.450 10 0 DGAERO C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1nccn1C ZINC000187701956 165100539 /nfs/dbraw/zinc/10/05/39/165100539.db2.gz WEVVGGGNZLMBQJ-QFBILLFUSA-N 1 0 312.461 3.125 10 0 DGAERO Cc1nccnc1[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000188103119 165113551 /nfs/dbraw/zinc/11/35/51/165113551.db2.gz YTEZYZVOLNXQOA-OAHLLOKOSA-N 1 0 302.466 3.233 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)CC2 ZINC000188184546 165115152 /nfs/dbraw/zinc/11/51/52/165115152.db2.gz CEGJIVUGJFHUFV-ZFWWWQNUSA-N 1 0 316.424 3.076 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCOCC(F)F)c1 ZINC000188679534 165131914 /nfs/dbraw/zinc/13/19/14/165131914.db2.gz DERQPSMKRGXOJG-CQSZACIVSA-N 1 0 315.360 3.122 10 0 DGAERO O=C(Cc1ccc2ccccc2c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188677839 165132359 /nfs/dbraw/zinc/13/23/59/165132359.db2.gz HTMOZJXMFKNJMB-UHFFFAOYSA-N 1 0 316.404 3.302 10 0 DGAERO CC(C)Oc1ccc(CN2CCCC[C@]2(C)C(N)=O)cc1Cl ZINC000188884439 165141368 /nfs/dbraw/zinc/14/13/68/165141368.db2.gz ZKKPKJUACJEAQO-QGZVFWFLSA-N 1 0 324.852 3.357 10 0 DGAERO COc1cc(Br)ccc1C[NH2+]Cc1ccncc1 ZINC000189188958 165152261 /nfs/dbraw/zinc/15/22/61/165152261.db2.gz HBQRWCIUZXKZRV-UHFFFAOYSA-N 1 0 307.191 3.143 10 0 DGAERO CN(C)c1noc(C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000189536530 165164519 /nfs/dbraw/zinc/16/45/19/165164519.db2.gz HTSCTQQDSYMWHQ-UHFFFAOYSA-N 1 0 320.824 3.169 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000189562040 165166961 /nfs/dbraw/zinc/16/69/61/165166961.db2.gz UYEBEVWMBCJADS-RDJZCZTQSA-N 1 0 316.445 3.344 10 0 DGAERO COCCC1(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)CCCCC1 ZINC000189755301 165175996 /nfs/dbraw/zinc/17/59/96/165175996.db2.gz BBMNQWMJSXXWGY-UHFFFAOYSA-N 1 0 324.509 3.164 10 0 DGAERO CC(C)(C)n1cc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000189948999 165182296 /nfs/dbraw/zinc/18/22/96/165182296.db2.gz XHDQYSOSOJTNEA-GHMZBOCLSA-N 1 0 304.360 3.244 10 0 DGAERO CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)C1 ZINC000190153022 165191244 /nfs/dbraw/zinc/19/12/44/165191244.db2.gz HVOGGRLJMZWWPR-QKPAOTATSA-N 1 0 307.438 3.356 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000190231742 165193291 /nfs/dbraw/zinc/19/32/91/165193291.db2.gz LMNFEIOGTPBZQY-UHFFFAOYSA-N 1 0 323.506 3.064 10 0 DGAERO C[C@@H]1OCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000190556493 165207616 /nfs/dbraw/zinc/20/76/16/165207616.db2.gz FQRCIISCHSJOEF-DLBZAZTESA-N 1 0 322.493 3.107 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1cccc(-n2ccnc2)c1 ZINC000191078121 165228706 /nfs/dbraw/zinc/22/87/06/165228706.db2.gz STACRJUOXXLBQZ-DNVCBOLYSA-N 1 0 313.445 3.464 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000191066746 165229008 /nfs/dbraw/zinc/22/90/08/165229008.db2.gz OFGLVCMSRITILX-UFYCRDLUSA-N 1 0 319.537 3.081 10 0 DGAERO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000191060837 165229395 /nfs/dbraw/zinc/22/93/95/165229395.db2.gz KUNCHQVPKIYJDX-AWEZNQCLSA-N 1 0 315.454 3.390 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000191078278 165229679 /nfs/dbraw/zinc/22/96/79/165229679.db2.gz WRWAOCZZVMFHSV-HNAYVOBHSA-N 1 0 313.445 3.464 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000191061958 165229852 /nfs/dbraw/zinc/22/98/52/165229852.db2.gz RCFXDWDAQNKCIE-FUHWJXTLSA-N 1 0 317.477 3.047 10 0 DGAERO COc1cc(C)c(C[N@H+](C)C[C@@H](O)C2CCCCC2)cc1OC ZINC000191235620 165237249 /nfs/dbraw/zinc/23/72/49/165237249.db2.gz LYGYHDSXOKTFRJ-QGZVFWFLSA-N 1 0 321.461 3.385 10 0 DGAERO COc1cc(C)c(C[N@H+](C)C[C@@H](O)CC2CCCC2)cc1OC ZINC000191235574 165237633 /nfs/dbraw/zinc/23/76/33/165237633.db2.gz JDWXPXMYFJMBCQ-KRWDZBQOSA-N 1 0 321.461 3.385 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@H](C)COCc2ccccc2)cn1 ZINC000191227727 165238145 /nfs/dbraw/zinc/23/81/45/165238145.db2.gz AOXDJUQIDIYXNR-MRXNPFEDSA-N 1 0 313.445 3.233 10 0 DGAERO COC(=O)[C@@H](C)N(Cc1cnc(CC(C)C)s1)C1CCC1 ZINC000191642726 165262613 /nfs/dbraw/zinc/26/26/13/165262613.db2.gz STQMXNMIMJCWQO-GFCCVEGCSA-N 1 0 310.463 3.258 10 0 DGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191620861 165263040 /nfs/dbraw/zinc/26/30/40/165263040.db2.gz XABQASFYCMLSMJ-INIZCTEOSA-N 1 0 315.461 3.047 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3cccc4cccnc43)CC2)[nH]1 ZINC000191684856 165264827 /nfs/dbraw/zinc/26/48/27/165264827.db2.gz ALXNVHGXVOFTTF-UHFFFAOYSA-N 1 0 321.428 3.295 10 0 DGAERO CCOC(=O)c1ccc[n+](C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000191698236 165265228 /nfs/dbraw/zinc/26/52/28/165265228.db2.gz AHWVTQSKSVHUHX-MRXNPFEDSA-N 1 0 304.410 3.033 10 0 DGAERO CCn1cc([C@@H]2CN(Cc3ccc(Cl)c(C)c3)CCO2)cn1 ZINC000191705937 165266730 /nfs/dbraw/zinc/26/67/30/165266730.db2.gz HZWKPOFLKOBTEC-KRWDZBQOSA-N 1 0 319.836 3.438 10 0 DGAERO COc1cccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1F ZINC000192704198 165302678 /nfs/dbraw/zinc/30/26/78/165302678.db2.gz FICIUWYPDQNMHO-WFASDCNBSA-N 1 0 301.361 3.489 10 0 DGAERO CN(C(=O)c1ccccc1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000192773342 165306005 /nfs/dbraw/zinc/30/60/05/165306005.db2.gz ZSGQDTZMXXKIRH-UHFFFAOYSA-N 1 0 322.452 3.444 10 0 DGAERO O=C(CSc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192768517 165306699 /nfs/dbraw/zinc/30/66/99/165306699.db2.gz NHOVARARRYDTFF-UHFFFAOYSA-N 1 0 318.486 3.113 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1F ZINC000192813607 165307258 /nfs/dbraw/zinc/30/72/58/165307258.db2.gz BGLGLWFRXNSPNX-JSGCOSHPSA-N 1 0 318.371 3.074 10 0 DGAERO COc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1F ZINC000192976381 165314748 /nfs/dbraw/zinc/31/47/48/165314748.db2.gz VZLBVZYHESOYES-GJZGRUSLSA-N 1 0 321.417 3.104 10 0 DGAERO CCC(CC)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000193014312 165314774 /nfs/dbraw/zinc/31/47/74/165314774.db2.gz BLNMVKGDNXRQJQ-UHFFFAOYSA-N 1 0 307.438 3.074 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)s1 ZINC000193112342 165318456 /nfs/dbraw/zinc/31/84/56/165318456.db2.gz VBGUIFSPJOKWSP-QWRGUYRKSA-N 1 0 300.855 3.311 10 0 DGAERO COCc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000193413211 165323634 /nfs/dbraw/zinc/32/36/34/165323634.db2.gz QAQKLOLWJHTJPX-UHFFFAOYSA-N 1 0 311.429 3.305 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193818771 165332537 /nfs/dbraw/zinc/33/25/37/165332537.db2.gz XHJISWNLIIUVAL-SJLPKXTDSA-N 1 0 302.462 3.307 10 0 DGAERO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194087257 165337590 /nfs/dbraw/zinc/33/75/90/165337590.db2.gz PMRXHIXKVRBOIV-GLKFPVFTSA-N 1 0 307.459 3.107 10 0 DGAERO C=Cn1cc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cn1 ZINC000194295661 165343194 /nfs/dbraw/zinc/34/31/94/165343194.db2.gz QQQDUEDWPJTMOA-UHFFFAOYSA-N 1 0 312.348 3.110 10 0 DGAERO C[C@@H](CC[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 ZINC000194491507 165346737 /nfs/dbraw/zinc/34/67/37/165346737.db2.gz DNEFDBHPKLVTEX-FUHWJXTLSA-N 1 0 312.461 3.172 10 0 DGAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N[C@@H](C)c1ccccc1 ZINC000194516803 165348064 /nfs/dbraw/zinc/34/80/64/165348064.db2.gz YDXRPQCNMLQLQU-GJZGRUSLSA-N 1 0 323.440 3.310 10 0 DGAERO CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194518812 165348267 /nfs/dbraw/zinc/34/82/67/165348267.db2.gz SNQHNNZVBMSILM-KSSFIOAISA-N 1 0 315.461 3.224 10 0 DGAERO CC(C)c1noc([C@@H](C)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000194733826 165354309 /nfs/dbraw/zinc/35/43/09/165354309.db2.gz BELQWCVMNYGGBZ-CQSZACIVSA-N 1 0 306.454 3.062 10 0 DGAERO Cc1nccn1C[C@H]1CCCN1C(=O)NCC(C(C)C)C(C)C ZINC000194914192 165358232 /nfs/dbraw/zinc/35/82/32/165358232.db2.gz HRZVMPVJXCLCMC-MRXNPFEDSA-N 1 0 320.481 3.294 10 0 DGAERO Cc1csc([C@@H]2CCCN(Cc3nccn3C(F)F)C2)n1 ZINC000195323182 165365452 /nfs/dbraw/zinc/36/54/52/165365452.db2.gz COHBCPZFQKMHIK-LLVKDONJSA-N 1 0 312.389 3.423 10 0 DGAERO CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195324655 165365509 /nfs/dbraw/zinc/36/55/09/165365509.db2.gz VRYKVLZIIAIOOU-GJZGRUSLSA-N 1 0 323.506 3.326 10 0 DGAERO Cc1csc([C@@H]2CCCN(Cc3nc(CC(C)C)no3)C2)n1 ZINC000195325952 165365776 /nfs/dbraw/zinc/36/57/76/165365776.db2.gz NOJYOZXHWCPHSU-CYBMUJFWSA-N 1 0 320.462 3.413 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](CCOCC(F)(F)F)C2)n1 ZINC000195337048 165365843 /nfs/dbraw/zinc/36/58/43/165365843.db2.gz UJDWEUQKYLVSTM-NSHDSACASA-N 1 0 308.369 3.210 10 0 DGAERO FC(F)(F)COCCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195358846 165367026 /nfs/dbraw/zinc/36/70/26/165367026.db2.gz KADUHPVRIFUXMH-NSHDSACASA-N 1 0 308.369 3.292 10 0 DGAERO Cc1csc([C@H]2CN(CCOc3cccc(F)c3)CCO2)n1 ZINC000195385093 165369392 /nfs/dbraw/zinc/36/93/92/165369392.db2.gz UZUMCNZZSFPASU-OAHLLOKOSA-N 1 0 322.405 3.043 10 0 DGAERO CSCCN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195438667 165370584 /nfs/dbraw/zinc/37/05/84/165370584.db2.gz FCMGKXIKGJLVEM-LLVKDONJSA-N 1 0 300.493 3.177 10 0 DGAERO FC(F)Oc1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507613 165372219 /nfs/dbraw/zinc/37/22/19/165372219.db2.gz FQUAFSBTCLPYSV-UHFFFAOYSA-N 1 0 307.344 3.391 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000223244990 165381046 /nfs/dbraw/zinc/38/10/46/165381046.db2.gz MMUUZXRSMKEYEK-UHFFFAOYSA-N 1 0 304.203 3.227 10 0 DGAERO COc1cc(C[NH2+]C[C@H]2CC2(C)C)cc(Br)c1O ZINC000223220947 165381424 /nfs/dbraw/zinc/38/14/24/165381424.db2.gz KZYNSSXLRUDGPS-SNVBAGLBSA-N 1 0 314.223 3.299 10 0 DGAERO CN1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000230648004 165398734 /nfs/dbraw/zinc/39/87/34/165398734.db2.gz MQNRSTKOTFFQMK-LBPRGKRZSA-N 1 0 317.658 3.286 10 0 DGAERO c1cnnc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H](C4CC4)C3)C2)c1 ZINC000246591558 165527578 /nfs/dbraw/zinc/52/75/78/165527578.db2.gz ZJUBGLMHMLCTDH-IKGGRYGDSA-N 1 0 300.450 3.004 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247193426 165570552 /nfs/dbraw/zinc/57/05/52/165570552.db2.gz BUCDDXZORDZSLZ-ZWKOTPCHSA-N 1 0 319.445 3.308 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000247368646 165580626 /nfs/dbraw/zinc/58/06/26/165580626.db2.gz RPCGQOXVJMZHET-PWSUYJOCSA-N 1 0 311.788 3.180 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000247432305 165583500 /nfs/dbraw/zinc/58/35/00/165583500.db2.gz OTYPMXMTUQESOU-XJKSGUPXSA-N 1 0 308.853 3.071 10 0 DGAERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000247449451 165583557 /nfs/dbraw/zinc/58/35/57/165583557.db2.gz QBSMPHDZUXULKK-RYQLBKOJSA-N 1 0 304.478 3.147 10 0 DGAERO CCc1nc2c(s1)[C@H]([NH2+][C@H]1Cc3ccccc3[C@H]1O)CCC2 ZINC000247937457 165599088 /nfs/dbraw/zinc/59/90/88/165599088.db2.gz CPTNFRWEKYTYGL-UKPHBRMFSA-N 1 0 314.454 3.331 10 0 DGAERO CCSc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccn1 ZINC000249983504 165686095 /nfs/dbraw/zinc/68/60/95/165686095.db2.gz LNESFQBUODCLEA-FVQBIDKESA-N 1 0 306.475 3.487 10 0 DGAERO C[C@@H]1C[C@@H](CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC(C)(C)C1 ZINC000261663973 165730774 /nfs/dbraw/zinc/73/07/74/165730774.db2.gz CHUJYMNRXAJWDO-TWMKSMIVSA-N 1 0 306.494 3.297 10 0 DGAERO CC(C)Sc1ccccc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261752651 165744258 /nfs/dbraw/zinc/74/42/58/165744258.db2.gz DWHGLIHBNBEBBT-OAHLLOKOSA-N 1 0 306.475 3.387 10 0 DGAERO O=C(c1cccc2ccccc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261767256 165746687 /nfs/dbraw/zinc/74/66/87/165746687.db2.gz QOZGBUVHEBCBQF-LJQANCHMSA-N 1 0 308.425 3.444 10 0 DGAERO CCCCc1ccc(CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261801799 165749366 /nfs/dbraw/zinc/74/93/66/165749366.db2.gz HAYLWGGMINHAPN-KRWDZBQOSA-N 1 0 302.462 3.158 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000262027227 165777033 /nfs/dbraw/zinc/77/70/33/165777033.db2.gz DOGBEQNQWMYKMX-RKDXNWHRSA-N 1 0 301.217 3.026 10 0 DGAERO C[C@H](C(=O)Nc1cc(Cl)ccc1N1CCCCC1)C1C[NH2+]C1 ZINC000262462735 165804663 /nfs/dbraw/zinc/80/46/63/165804663.db2.gz XJAFOZPQNBXSNA-LBPRGKRZSA-N 1 0 321.852 3.124 10 0 DGAERO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262598588 165811787 /nfs/dbraw/zinc/81/17/87/165811787.db2.gz XIIVMBPBCNXOGU-FRRDWIJNSA-N 1 0 308.853 3.146 10 0 DGAERO C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246574230 287142988 /nfs/dbraw/zinc/14/29/88/287142988.db2.gz VTCVSAYRMSEJJE-JKIFEVAISA-N 1 0 308.853 3.054 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000262717089 165817556 /nfs/dbraw/zinc/81/75/56/165817556.db2.gz WDCHANACQOAXMG-GUYCJALGSA-N 1 0 323.506 3.490 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)N1CCCC12CCC2)c1cccc(F)c1 ZINC000365633538 287156282 /nfs/dbraw/zinc/15/62/82/287156282.db2.gz DWLFAUYRDQFYGC-INIZCTEOSA-N 1 0 319.424 3.157 10 0 DGAERO c1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)n(-c2ccccc2)n1 ZINC000365671464 287161095 /nfs/dbraw/zinc/16/10/95/287161095.db2.gz DULCKPWRLHMKIQ-QGZVFWFLSA-N 1 0 311.429 3.121 10 0 DGAERO Clc1ccc(CN2CCC([NH+]3CCCC3)CC2)c(Cl)n1 ZINC000365976782 287194188 /nfs/dbraw/zinc/19/41/88/287194188.db2.gz FEZSFHSQIHYUHG-UHFFFAOYSA-N 1 0 314.260 3.449 10 0 DGAERO FC(F)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000365990711 287196432 /nfs/dbraw/zinc/19/64/32/287196432.db2.gz SJQOITMHEABTDG-LBPRGKRZSA-N 1 0 314.380 3.100 10 0 DGAERO c1nn2ccccc2c1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000366027323 287202035 /nfs/dbraw/zinc/20/20/35/287202035.db2.gz FHTZMQCWUMFOCM-KRWDZBQOSA-N 1 0 320.440 3.341 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000178197126 287214438 /nfs/dbraw/zinc/21/44/38/287214438.db2.gz GQTNRYOZXKIDBO-BZUAXINKSA-N 1 0 302.466 3.250 10 0 DGAERO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000128891467 196000816 /nfs/dbraw/zinc/00/08/16/196000816.db2.gz RDMGTFVBXMKJAV-ZDUSSCGKSA-N 1 0 321.440 3.005 10 0 DGAERO C[C@]1(CNC(=O)c2cc3c(s2)CCCCC3)CCC[NH2+]C1 ZINC000128988652 196009620 /nfs/dbraw/zinc/00/96/20/196009620.db2.gz OHRWGBVLEHTBQW-KRWDZBQOSA-N 1 0 306.475 3.137 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1cccc(F)c1F ZINC000129032088 196012987 /nfs/dbraw/zinc/01/29/87/196012987.db2.gz CFKAFTLDTGRSLT-VXGBXAGGSA-N 1 0 313.392 3.055 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449156499 297188460 /nfs/dbraw/zinc/18/84/60/297188460.db2.gz DPLSBSCMWLYVSL-NYTXWWLZSA-N 1 0 310.532 3.472 10 0 DGAERO C[C@@H](CC[NH2+]Cc1nc(-c2ccccc2)cs1)[S@](C)=O ZINC000129337586 196040156 /nfs/dbraw/zinc/04/01/56/196040156.db2.gz LHIYYYKYNGDRDW-FKIZINRSSA-N 1 0 308.472 3.057 10 0 DGAERO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246661959 432152105 /nfs/dbraw/zinc/15/21/05/432152105.db2.gz WJOKXMSNAZGUHT-GLHLROKDSA-N 1 0 319.493 3.364 10 0 DGAERO COc1cccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c1OC ZINC000190397840 432151103 /nfs/dbraw/zinc/15/11/03/432151103.db2.gz HMVVDMLSQXHOAL-UHFFFAOYSA-N 1 0 315.413 3.359 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129425015 196047348 /nfs/dbraw/zinc/04/73/48/196047348.db2.gz JRYIAXJAPYGRDR-OUCADQQQSA-N 1 0 317.351 3.439 10 0 DGAERO COCCOc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000136684892 432159818 /nfs/dbraw/zinc/15/98/18/432159818.db2.gz QPRIBUBWFHPFIF-KRWDZBQOSA-N 1 0 319.445 3.293 10 0 DGAERO FC(F)(F)c1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246744538 432160078 /nfs/dbraw/zinc/16/00/78/432160078.db2.gz GXVCBRYDQZEGSI-ZIAGYGMSSA-N 1 0 317.376 3.412 10 0 DGAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000182174129 432161976 /nfs/dbraw/zinc/16/19/76/432161976.db2.gz NBQPNAILVXOUBM-HNNXBMFYSA-N 1 0 307.438 3.449 10 0 DGAERO Cc1ccc(CN(CCO)Cc2nc(C3CCCC3)no2)cc1 ZINC000181964484 432153690 /nfs/dbraw/zinc/15/36/90/432153690.db2.gz TVBGKFOONRLJLW-UHFFFAOYSA-N 1 0 315.417 3.030 10 0 DGAERO COC(=O)c1ccc(F)c(C[N@H+](C(C)C)C2CCOCC2)c1 ZINC000182008908 432154222 /nfs/dbraw/zinc/15/42/22/432154222.db2.gz CQMZNPKJSSHIDF-UHFFFAOYSA-N 1 0 309.381 3.002 10 0 DGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H](C)CCc1ccco1 ZINC000190431281 432155737 /nfs/dbraw/zinc/15/57/37/432155737.db2.gz UOASRCUBLQPXAY-XIRDDKMYSA-N 1 0 317.433 3.327 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000136542073 432158414 /nfs/dbraw/zinc/15/84/14/432158414.db2.gz MXHSBEBPRNJMDB-UMVBOHGHSA-N 1 0 321.490 3.250 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000182088174 432158547 /nfs/dbraw/zinc/15/85/47/432158547.db2.gz RPLTXVFASWYSIA-AWEZNQCLSA-N 1 0 319.424 3.338 10 0 DGAERO c1cnn(-c2ccc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)cc2)c1 ZINC000136693773 432159170 /nfs/dbraw/zinc/15/91/70/432159170.db2.gz UZUCFODCXKOBBF-QGZVFWFLSA-N 1 0 311.429 3.454 10 0 DGAERO Clc1cnc(CN2CCC[N@@H+](C3CC3)CC2)c(Cl)c1 ZINC000182168675 432163035 /nfs/dbraw/zinc/16/30/35/432163035.db2.gz GOJYOCXROYYVSM-UHFFFAOYSA-N 1 0 300.233 3.059 10 0 DGAERO FC(F)(F)c1ccccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246822066 432167680 /nfs/dbraw/zinc/16/76/80/432167680.db2.gz JWIZCMOABLMOCY-KGLIPLIRSA-N 1 0 317.376 3.412 10 0 DGAERO Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000182219295 432168473 /nfs/dbraw/zinc/16/84/73/432168473.db2.gz BSJDSGWDUJULDS-HNNXBMFYSA-N 1 0 314.408 3.440 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(N2CCCC2)c(F)c1)[NH+](C)C ZINC000137083926 432169680 /nfs/dbraw/zinc/16/96/80/432169680.db2.gz JPDCZYAPRPGCCK-INIZCTEOSA-N 1 0 307.413 3.095 10 0 DGAERO CC(C)C[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190636673 432176802 /nfs/dbraw/zinc/17/68/02/432176802.db2.gz VHRDVBSATMWMET-WMZOPIPTSA-N 1 0 317.477 3.044 10 0 DGAERO COCCOc1ccc([C@@H](C)[NH2+]CCN2CCCC[C@@H]2C)cc1 ZINC000246899680 432177819 /nfs/dbraw/zinc/17/78/19/432177819.db2.gz FUGOPIZEFZNQFB-DLBZAZTESA-N 1 0 320.477 3.237 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccccc3Cl)CC[C@H]21 ZINC000246889203 432178573 /nfs/dbraw/zinc/17/85/73/432178573.db2.gz FHWQDGINHFGBIV-SWLSCSKDSA-N 1 0 307.825 3.288 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000246902138 432179323 /nfs/dbraw/zinc/17/93/23/432179323.db2.gz FLFCLQWGRKKDLB-BBRMVZONSA-N 1 0 308.853 3.451 10 0 DGAERO c1nc(CN2CC[N@@H+]3CCCC[C@H]3C2)sc1-c1ccccc1 ZINC000246913434 432180222 /nfs/dbraw/zinc/18/02/22/432180222.db2.gz SDNWAIHVJBRCEF-INIZCTEOSA-N 1 0 313.470 3.480 10 0 DGAERO CCn1c2cccc(F)c2nc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246911280 432180343 /nfs/dbraw/zinc/18/03/43/432180343.db2.gz PTEIOGDGDBBXAX-UONOGXRCSA-N 1 0 318.440 3.110 10 0 DGAERO C[C@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)C1CCCC1 ZINC000171879953 432180407 /nfs/dbraw/zinc/18/04/07/432180407.db2.gz DGJOUNIUGMPPFQ-HNNXBMFYSA-N 1 0 300.446 3.003 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000171897934 432182069 /nfs/dbraw/zinc/18/20/69/432182069.db2.gz TVOOUCAVGRFKBB-HNAYVOBHSA-N 1 0 323.440 3.390 10 0 DGAERO C[C@@H]1CC[C@@H](CN2CCc3cccc(Br)c3C2)O1 ZINC000190582059 432172549 /nfs/dbraw/zinc/17/25/49/432172549.db2.gz RJRONTDDDYFJGO-YPMHNXCESA-N 1 0 310.235 3.375 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)n(C2CC2)c1C ZINC000246935640 432182303 /nfs/dbraw/zinc/18/23/03/432182303.db2.gz KGMNXJBVYRHPDA-WBVHZDCISA-N 1 0 315.461 3.139 10 0 DGAERO CCCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246860777 432174022 /nfs/dbraw/zinc/17/40/22/432174022.db2.gz SMEWSCXGTHLGTA-GOEBONIOSA-N 1 0 319.449 3.422 10 0 DGAERO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c(C)c1 ZINC000246862919 432174776 /nfs/dbraw/zinc/17/47/76/432174776.db2.gz FBHXFCQOQVIRBG-SJORKVTESA-N 1 0 315.413 3.473 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)NCc2cccc(Cl)c2)CC1 ZINC000137311036 432175347 /nfs/dbraw/zinc/17/53/47/432175347.db2.gz GVVACZUDXWTZKS-UHFFFAOYSA-N 1 0 323.868 3.260 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246940626 432183484 /nfs/dbraw/zinc/18/34/84/432183484.db2.gz HQBUTWIVWHBESR-CXAGYDPISA-N 1 0 313.445 3.197 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000246937507 432183574 /nfs/dbraw/zinc/18/35/74/432183574.db2.gz NBILVOAGIGVXHX-OIISXLGYSA-N 1 0 312.457 3.238 10 0 DGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@@H]1C ZINC000246978938 432187339 /nfs/dbraw/zinc/18/73/39/432187339.db2.gz JXVWTKRRIQONEQ-CWSCBRNRSA-N 1 0 311.223 3.164 10 0 DGAERO Cc1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c(C)s1 ZINC000171972421 432187601 /nfs/dbraw/zinc/18/76/01/432187601.db2.gz GIOQKDRJRVZNJX-QGZVFWFLSA-N 1 0 308.491 3.052 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)cc21 ZINC000247022274 432191894 /nfs/dbraw/zinc/19/18/94/432191894.db2.gz HLOZXLYXSPROAY-PXAZEXFGSA-N 1 0 317.408 3.074 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](CCCOCc3ccccc3)C2)c1 ZINC000182356053 432182817 /nfs/dbraw/zinc/18/28/17/432182817.db2.gz VEDUEFIRPGZYJL-IBGZPJMESA-N 1 0 313.445 3.435 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000247072774 432199699 /nfs/dbraw/zinc/19/96/99/432199699.db2.gz YOFZOPHOOLZNCQ-MJGOQNOKSA-N 1 0 323.440 3.176 10 0 DGAERO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C1CCCC1 ZINC000172168256 432199698 /nfs/dbraw/zinc/19/96/98/432199698.db2.gz MEGHMKKYDZXIEO-YVEFUNNKSA-N 1 0 304.409 3.314 10 0 DGAERO Cc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c2ccccc2n1 ZINC000247015378 432192895 /nfs/dbraw/zinc/19/28/95/432192895.db2.gz QDLDDOSHVBCOEC-QZTJIDSGSA-N 1 0 314.454 3.250 10 0 DGAERO CC(C)(C)c1ccc(CN2CC[NH+](C3CCOCC3)CC2)s1 ZINC000129777548 196074693 /nfs/dbraw/zinc/07/46/93/196074693.db2.gz NFWXXZSUQWJVLT-UHFFFAOYSA-N 1 0 322.518 3.342 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000247030909 432194606 /nfs/dbraw/zinc/19/46/06/432194606.db2.gz MIKOGFLSIMVQRI-DLBZAZTESA-N 1 0 319.836 3.043 10 0 DGAERO COc1ccc(CC[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000150838415 432194727 /nfs/dbraw/zinc/19/47/27/432194727.db2.gz LMLHMYYANCGRNA-HNNXBMFYSA-N 1 0 322.412 3.169 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000247048742 432196348 /nfs/dbraw/zinc/19/63/48/432196348.db2.gz MBMZGSQJGIAKON-ZKNMIIFVSA-N 1 0 305.418 3.312 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(C)cc1 ZINC000247063335 432197189 /nfs/dbraw/zinc/19/71/89/432197189.db2.gz XNRPYUSFCBEHIF-ROUUACIJSA-N 1 0 300.446 3.013 10 0 DGAERO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000182508400 432198081 /nfs/dbraw/zinc/19/80/81/432198081.db2.gz ZBMZNCORJQMDDM-CHWSQXEVSA-N 1 0 318.442 3.285 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000190912977 432200617 /nfs/dbraw/zinc/20/06/17/432200617.db2.gz HMMXIMBTSBJJKP-WDEREUQCSA-N 1 0 302.187 3.245 10 0 DGAERO CC(C)(C)n1cc(C[NH2+]CCCCOCc2ccccc2)nn1 ZINC000190911173 432200676 /nfs/dbraw/zinc/20/06/76/432200676.db2.gz JKJJYRFBNIPPQF-UHFFFAOYSA-N 1 0 316.449 3.120 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)c(Cl)c1 ZINC000247074476 432200734 /nfs/dbraw/zinc/20/07/34/432200734.db2.gz WBIRXVRYLBDJCB-OLZOCXBDSA-N 1 0 310.800 3.178 10 0 DGAERO COc1ccc(OC)c([C@@H](C)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000247107091 432202964 /nfs/dbraw/zinc/20/29/64/432202964.db2.gz QHYUXOBKRREOKN-HUUCEWRRSA-N 1 0 306.450 3.229 10 0 DGAERO CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)CC)cn1 ZINC000131275072 196156091 /nfs/dbraw/zinc/15/60/91/196156091.db2.gz LCLCHEKXQFNQNC-GOSISDBHSA-N 1 0 301.434 3.066 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000247171248 432209655 /nfs/dbraw/zinc/20/96/55/432209655.db2.gz ATQULABXJPGVBY-DZGCQCFKSA-N 1 0 300.402 3.235 10 0 DGAERO CCCC[C@@H](CC)CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000247190692 432209797 /nfs/dbraw/zinc/20/97/97/432209797.db2.gz SMEPDOFZNVLMLM-DLBZAZTESA-N 1 0 324.509 3.305 10 0 DGAERO C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247215569 432211239 /nfs/dbraw/zinc/21/12/39/432211239.db2.gz QBUBPGBIEATIBT-STQMWFEESA-N 1 0 320.387 3.272 10 0 DGAERO C[C@@H]1CCC[C@@H](CC[N@@H+]2CCCN(c3cccnn3)CC2)C1 ZINC000151040955 432212525 /nfs/dbraw/zinc/21/25/25/432212525.db2.gz YMZUKYIDEBWZSL-SJORKVTESA-N 1 0 302.466 3.205 10 0 DGAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000247221196 432212462 /nfs/dbraw/zinc/21/24/62/432212462.db2.gz CUQQGRCLUXDXNU-SOLBZPMBSA-N 1 0 322.493 3.200 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2cccs2)o1 ZINC000247233788 432212971 /nfs/dbraw/zinc/21/29/71/432212971.db2.gz MTJAIXDLKQKSLH-OLZOCXBDSA-N 1 0 303.431 3.072 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000191020066 432213170 /nfs/dbraw/zinc/21/31/70/432213170.db2.gz FJDDCMSUCZJQHT-CQSZACIVSA-N 1 0 321.465 3.176 10 0 DGAERO C[C@H]1CCC[C@@H](CC[N@@H+]2CCCN(c3cccnn3)CC2)C1 ZINC000151040994 432213513 /nfs/dbraw/zinc/21/35/13/432213513.db2.gz YMZUKYIDEBWZSL-IRXDYDNUSA-N 1 0 302.466 3.205 10 0 DGAERO C[C@H](SCc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247250721 432214544 /nfs/dbraw/zinc/21/45/44/432214544.db2.gz DQUZBJBMJLUNLO-VYDXJSESSA-N 1 0 320.502 3.249 10 0 DGAERO CSc1ccc(C)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247243114 432214859 /nfs/dbraw/zinc/21/48/59/432214859.db2.gz NDWOWEYYMMQVLO-KGLIPLIRSA-N 1 0 304.459 3.026 10 0 DGAERO COC[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000191061162 432215140 /nfs/dbraw/zinc/21/51/40/432215140.db2.gz CJRWMQPTCZFIOR-WMLDXEAASA-N 1 0 313.388 3.183 10 0 DGAERO Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H](C)C(C)(C)C)c2cc1C ZINC000172263065 432205326 /nfs/dbraw/zinc/20/53/26/432205326.db2.gz DDXYJFBPGGGAFI-CABCVRRESA-N 1 0 303.450 3.038 10 0 DGAERO CCO[C@H](C)c1nc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000247134791 432206021 /nfs/dbraw/zinc/20/60/21/432206021.db2.gz ZNIUMUJFCBJGKQ-GUTXKFCHSA-N 1 0 311.495 3.155 10 0 DGAERO Cc1c([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cnn1C(C)C ZINC000191161298 432228576 /nfs/dbraw/zinc/22/85/76/432228576.db2.gz DXYYVAOEUMKFBC-AWEZNQCLSA-N 1 0 320.481 3.070 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000247357341 432225081 /nfs/dbraw/zinc/22/50/81/432225081.db2.gz JZLMCNZRMUSPMG-HKUYNNGSSA-N 1 0 316.489 3.425 10 0 DGAERO CN(C(=O)c1ccccc1Cc1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151159850 432225732 /nfs/dbraw/zinc/22/57/32/432225732.db2.gz XORMEAJTDAKIAF-LJQANCHMSA-N 1 0 322.452 3.444 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC000247296506 432219815 /nfs/dbraw/zinc/21/98/15/432219815.db2.gz LCTLBKNDERUKCD-JKIFEVAISA-N 1 0 306.425 3.164 10 0 DGAERO CCc1cccc(C)c1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247296185 432220130 /nfs/dbraw/zinc/22/01/30/432220130.db2.gz HSDFGQSLSWXDFW-GDBMZVCRSA-N 1 0 301.434 3.258 10 0 DGAERO Cc1ccc2cc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1 ZINC000151130256 432221305 /nfs/dbraw/zinc/22/13/05/432221305.db2.gz GOJKAZJBNWQTMD-RHSMWYFYSA-N 1 0 311.429 3.098 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000247322156 432221783 /nfs/dbraw/zinc/22/17/83/432221783.db2.gz ORWKUGPDIJODHD-CJNGLKHVSA-N 1 0 318.848 3.067 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182731832 432223362 /nfs/dbraw/zinc/22/33/62/432223362.db2.gz DGQBENXDFDZWEF-INIZCTEOSA-N 1 0 316.424 3.249 10 0 DGAERO Fc1ccccc1SCC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247327346 432223434 /nfs/dbraw/zinc/22/34/34/432223434.db2.gz WPQRPMDPIOJFMX-HIFRSBDPSA-N 1 0 313.463 3.124 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H](C)[C@@H](C)CO ZINC000131756901 196196806 /nfs/dbraw/zinc/19/68/06/196196806.db2.gz ITGBKYRAFBNKDK-YNEHKIRRSA-N 1 0 301.377 3.216 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2cncc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000132048309 196222143 /nfs/dbraw/zinc/22/21/43/196222143.db2.gz KZEZUBVFQVRILJ-KXBFYZLASA-N 1 0 323.440 3.303 10 0 DGAERO CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000132259451 196240043 /nfs/dbraw/zinc/24/00/43/196240043.db2.gz PGYCDCSBYOYBEW-PKOBYXMFSA-N 1 0 316.489 3.349 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000134369919 196382445 /nfs/dbraw/zinc/38/24/45/196382445.db2.gz QXSXUAZYPSKKEZ-MRXNPFEDSA-N 1 0 320.477 3.089 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC([C@@H](C)O)CC1 ZINC000137338152 196572685 /nfs/dbraw/zinc/57/26/85/196572685.db2.gz GMPXJXSUUNJATE-MRXNPFEDSA-N 1 0 318.461 3.115 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(OC(F)(F)F)cc1 ZINC000154645668 227102722 /nfs/dbraw/zinc/10/27/22/227102722.db2.gz QIZRSYILQHWCLE-AAEUAGOBSA-N 1 0 302.340 3.330 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000291115293 222148037 /nfs/dbraw/zinc/14/80/37/222148037.db2.gz FQGJFSCZPVACGP-GOSISDBHSA-N 1 0 316.445 3.006 10 0 DGAERO c1nnc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000297433197 227156408 /nfs/dbraw/zinc/15/64/08/227156408.db2.gz ICRHUFLVAORVLO-HZPDHXFCSA-N 1 0 314.458 3.029 10 0 DGAERO OCCC1(C[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000157341549 228233106 /nfs/dbraw/zinc/23/31/06/228233106.db2.gz JXCJUNFKYGCCIV-UHFFFAOYSA-N 1 0 318.642 3.355 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000174322735 228289622 /nfs/dbraw/zinc/28/96/22/228289622.db2.gz LFOFHXVLCWLJCR-MGPLVRAMSA-N 1 0 322.330 3.024 10 0 DGAERO O=C(CN1CCS[C@H]2CCCC[C@@H]21)Nc1ccccc1F ZINC000177203298 228327920 /nfs/dbraw/zinc/32/79/20/228327920.db2.gz RYDYAUUYSHVXCN-GJZGRUSLSA-N 1 0 308.422 3.124 10 0 DGAERO O[C@@H](CNC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000180209949 228355110 /nfs/dbraw/zinc/35/51/10/228355110.db2.gz BFCYYHFWWJSUQC-FQEVSTJZSA-N 1 0 324.468 3.212 10 0 DGAERO C[C@@H]1CCN(c2ncc(Cl)cc2Br)[C@H](C[NH3+])C1 ZINC000261540606 287607295 /nfs/dbraw/zinc/60/72/95/287607295.db2.gz GNVXHLUQALGXCS-SCZZXKLOSA-N 1 0 318.646 3.061 10 0 DGAERO Cc1cc(NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)cc[nH+]1 ZINC000302212345 230168049 /nfs/dbraw/zinc/16/80/49/230168049.db2.gz DUDRQYIICRCERY-ZBFHGGJFSA-N 1 0 317.458 3.325 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2)[NH+](C)C ZINC000188629388 263698031 /nfs/dbraw/zinc/69/80/31/263698031.db2.gz AHSKUKIPHWBDHC-GUYCJALGSA-N 1 0 306.406 3.253 10 0 DGAERO COC[C@@](C)(CCO)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000193301264 263791827 /nfs/dbraw/zinc/79/18/27/263791827.db2.gz CWUGPUWPMQXZJT-OAHLLOKOSA-N 1 0 320.260 3.303 10 0 DGAERO FC(F)OCCC[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000193666923 263797865 /nfs/dbraw/zinc/79/78/65/263797865.db2.gz DIBIBEFXBURWMP-UHFFFAOYSA-N 1 0 313.266 3.347 10 0 DGAERO CC(C)COC[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000194032781 263805504 /nfs/dbraw/zinc/80/55/04/263805504.db2.gz CJIKIUGJHSCUEL-IRXDYDNUSA-N 1 0 311.853 3.414 10 0 DGAERO CSC[C@@H](C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000229361887 263841889 /nfs/dbraw/zinc/84/18/89/263841889.db2.gz FXOSSCUKLQKJDR-NXEZZACHSA-N 1 0 324.273 3.074 10 0 DGAERO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261822006 263871295 /nfs/dbraw/zinc/87/12/95/263871295.db2.gz ARSMFEKALDIILY-VKJFTORMSA-N 1 0 304.478 3.402 10 0 DGAERO c1ccc(CN2CCC[N@@H+](CC[C@H]3CCCCO3)CC2)cc1 ZINC000347393487 264213348 /nfs/dbraw/zinc/21/33/48/264213348.db2.gz NWCYEOIQLQFAKF-LJQANCHMSA-N 1 0 302.462 3.154 10 0 DGAERO c1ccc(CC[N@@H+](CC[C@@H]2CCCCO2)[C@@H]2CCOC2)cc1 ZINC000347458262 264224444 /nfs/dbraw/zinc/22/44/44/264224444.db2.gz FKZAORZXMRURGM-MOPGFXCFSA-N 1 0 303.446 3.279 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCCN1C ZINC000352830554 265186034 /nfs/dbraw/zinc/18/60/34/265186034.db2.gz BCXGUNIMNMURSO-WVUXNXBLSA-N 1 0 310.388 3.375 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC000247435419 432229901 /nfs/dbraw/zinc/22/99/01/432229901.db2.gz OZPOWHXNJKGPTA-HYLHYLHVSA-N 1 0 318.505 3.392 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2c(Cl)cccc2Cl)C1 ZINC000247439870 432230509 /nfs/dbraw/zinc/23/05/09/432230509.db2.gz RXCOQBIWWCNKSK-GXFFZTMASA-N 1 0 315.244 3.452 10 0 DGAERO c1c(C2CCC2)nn2ccnc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c12 ZINC000631067355 424829372 /nfs/dbraw/zinc/82/93/72/424829372.db2.gz YWTPXGHCYSCAIR-CABCVRRESA-N 1 0 311.433 3.036 10 0 DGAERO c1cnn(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)c1 ZINC000355224528 266005426 /nfs/dbraw/zinc/00/54/26/266005426.db2.gz QMPFPTOSKDTNKJ-ZWKOTPCHSA-N 1 0 311.429 3.121 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000355225375 266005819 /nfs/dbraw/zinc/00/58/19/266005819.db2.gz RJZZIFUSCUDNFJ-DLBZAZTESA-N 1 0 311.429 3.325 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000355901957 266224249 /nfs/dbraw/zinc/22/42/49/266224249.db2.gz AOYQEBRZBXCPAN-AABGKKOBSA-N 1 0 314.473 3.009 10 0 DGAERO Cc1cc2ncn(C[C@H](O)C[N@@H+]3C[C@H](C)CC[C@H]3C)c2cc1C ZINC000247474129 432233256 /nfs/dbraw/zinc/23/32/56/432233256.db2.gz JMWRFYFGEVNUHS-KBRIMQKVSA-N 1 0 315.461 3.134 10 0 DGAERO CC[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000247493256 432236279 /nfs/dbraw/zinc/23/62/79/432236279.db2.gz UKMGIOKHXNDHCR-JFIYKMOQSA-N 1 0 300.446 3.265 10 0 DGAERO CCC1(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CCC1 ZINC000182884579 432238800 /nfs/dbraw/zinc/23/88/00/432238800.db2.gz WUDVDUURYSEOKD-GJZGRUSLSA-N 1 0 307.482 3.271 10 0 DGAERO CCC1(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CCC1 ZINC000182884561 432239005 /nfs/dbraw/zinc/23/90/05/432239005.db2.gz WUDVDUURYSEOKD-HUUCEWRRSA-N 1 0 307.482 3.271 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1 ZINC000247541133 432239101 /nfs/dbraw/zinc/23/91/01/432239101.db2.gz PCRZVYJEZUQYDG-CABCVRRESA-N 1 0 307.825 3.431 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2coc3ccccc23)[C@@H](C)C1 ZINC000247539846 432239361 /nfs/dbraw/zinc/23/93/61/432239361.db2.gz XXYRKTYJAHGDDR-XJKSGUPXSA-N 1 0 300.402 3.235 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247535779 432239747 /nfs/dbraw/zinc/23/97/47/432239747.db2.gz XQWHWUDCZVQTRK-ZOBUZTSGSA-N 1 0 320.502 3.498 10 0 DGAERO CCn1c2ccc(F)cc2nc1CN[C@H](CO)c1ccccc1 ZINC000182902851 432240096 /nfs/dbraw/zinc/24/00/96/432240096.db2.gz LZWBGRGLBQHQNV-MRXNPFEDSA-N 1 0 313.376 3.019 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191259633 432241169 /nfs/dbraw/zinc/24/11/69/432241169.db2.gz VQDJXZHVRBXPEC-DGCLKSJQSA-N 1 0 302.871 3.163 10 0 DGAERO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247563360 432241629 /nfs/dbraw/zinc/24/16/29/432241629.db2.gz VCRBRILXXWQEAF-HOTGVXAUSA-N 1 0 301.386 3.165 10 0 DGAERO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H](O)COC(C)(C)C)cc1 ZINC000247556145 432241748 /nfs/dbraw/zinc/24/17/48/432241748.db2.gz UBNYIRUMPGLAGE-SJORKVTESA-N 1 0 323.502 3.261 10 0 DGAERO CC[C@H]1C[N@@H+]([C@H](C)CCc2ccccc2)CCN1CCOC ZINC000247609402 432242948 /nfs/dbraw/zinc/24/29/48/432242948.db2.gz MEGFDDSMNMZDID-MJGOQNOKSA-N 1 0 304.478 3.050 10 0 DGAERO CC(C)(C)[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000247601890 432242698 /nfs/dbraw/zinc/24/26/98/432242698.db2.gz UULOVKNHNUXLGQ-IRXDYDNUSA-N 1 0 315.461 3.263 10 0 DGAERO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000182924303 432243552 /nfs/dbraw/zinc/24/35/52/432243552.db2.gz BMTQVMDEFRXBBL-WBVHZDCISA-N 1 0 316.424 3.151 10 0 DGAERO O[C@H](CN1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1 ZINC000191319818 432249763 /nfs/dbraw/zinc/24/97/63/432249763.db2.gz ICWOSBMOIHXREF-LJQANCHMSA-N 1 0 308.510 3.126 10 0 DGAERO O=C1[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)CCN1c1ccccc1 ZINC000362522310 271041435 /nfs/dbraw/zinc/04/14/35/271041435.db2.gz BKKUWVOGXUEYSD-MRXNPFEDSA-N 1 0 318.779 3.374 10 0 DGAERO c1csc([C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)N2CCCC2)c1 ZINC000367620684 271054998 /nfs/dbraw/zinc/05/49/98/271054998.db2.gz QSLMINPXMNFXNY-ZBFHGGJFSA-N 1 0 316.474 3.275 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367626233 271055290 /nfs/dbraw/zinc/05/52/90/271055290.db2.gz NMKAISHHQKKMHV-TZMCWYRMSA-N 1 0 322.453 3.022 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N2CCOCC[C@@H]2C)cc1)C(C)C ZINC000367636317 271055484 /nfs/dbraw/zinc/05/54/84/271055484.db2.gz UDTGILWEZMLLSL-INIZCTEOSA-N 1 0 318.461 3.168 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc(Br)c1 ZINC000367709713 271069243 /nfs/dbraw/zinc/06/92/43/271069243.db2.gz UJAJYMXTOVKLSC-APIJFGDWSA-N 1 0 310.235 3.382 10 0 DGAERO c1coc([C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)N2CCCCC2)c1 ZINC000368602297 271178927 /nfs/dbraw/zinc/17/89/27/271178927.db2.gz JBBMONTVXZBMMH-WBVHZDCISA-N 1 0 314.433 3.197 10 0 DGAERO COCC[C@@H]1CCCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000368654939 271187946 /nfs/dbraw/zinc/18/79/46/271187946.db2.gz FDIONKOSGYXZRE-AWEZNQCLSA-N 1 0 318.465 3.129 10 0 DGAERO C/C(=C\C(=O)NC1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000368758696 271204027 /nfs/dbraw/zinc/20/40/27/271204027.db2.gz NMNMZWGTDFOGMH-FOCLMDBBSA-N 1 0 321.424 3.270 10 0 DGAERO COCCn1cc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)cn1 ZINC000369164860 271246535 /nfs/dbraw/zinc/24/65/35/271246535.db2.gz MWHNOFMMVMFHQK-JCNLHEQBSA-N 1 0 319.836 3.219 10 0 DGAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(O)c3ccccc3c2)CC1 ZINC000369289986 271259495 /nfs/dbraw/zinc/25/94/95/271259495.db2.gz HHAFPKYNVMSXHP-MRXNPFEDSA-N 1 0 312.413 3.102 10 0 DGAERO C[C@@H](NC(=O)N1CCCC12CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000369357532 271267347 /nfs/dbraw/zinc/26/73/47/271267347.db2.gz HZACESHVTRUQPB-CVEARBPZSA-N 1 0 319.493 3.368 10 0 DGAERO COc1c(C)cnc(C[N@@H+]2CCCC3(CCOCC3)C2)c1C ZINC000369408486 271273109 /nfs/dbraw/zinc/27/31/09/271273109.db2.gz PIIDGWSJLORERJ-UHFFFAOYSA-N 1 0 304.434 3.100 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)CCC2CC2)[C@H]1c1cccs1 ZINC000369638916 271303632 /nfs/dbraw/zinc/30/36/32/271303632.db2.gz FTWPHLCIDNGXSR-YOEHRIQHSA-N 1 0 306.475 3.437 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H]2CC3(CC3)C(=O)O2)o1 ZINC000369734999 271315884 /nfs/dbraw/zinc/31/58/84/271315884.db2.gz BIPAYVVIWVLLHD-QEJZJMRPSA-N 1 0 303.402 3.457 10 0 DGAERO Cc1nn(C(C)C)cc1C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000369868778 271325191 /nfs/dbraw/zinc/32/51/91/271325191.db2.gz USLXKVUYFJFDEU-UHFFFAOYSA-N 1 0 313.449 3.250 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000370155005 271342800 /nfs/dbraw/zinc/34/28/00/271342800.db2.gz BPVNOZREZYMHIM-FDPSAONLSA-N 1 0 316.420 3.316 10 0 DGAERO c1ncn(CC[N@@H+]2CCC[C@@]3(C2)CCCCc2ccccc23)n1 ZINC000370463065 271360499 /nfs/dbraw/zinc/36/04/99/271360499.db2.gz JIMAIHZODZJSEU-LJQANCHMSA-N 1 0 310.445 3.038 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)CC2 ZINC000151494947 432251021 /nfs/dbraw/zinc/25/10/21/432251021.db2.gz AWDVHFDPIDMOCT-SFHVURJKSA-N 1 0 320.396 3.053 10 0 DGAERO c1cn(-c2ncccc2C[NH2+][C@@H]2CCCc3sccc32)cn1 ZINC000151524569 432253370 /nfs/dbraw/zinc/25/33/70/432253370.db2.gz ABBYKRZBZXFCKK-OAHLLOKOSA-N 1 0 310.426 3.496 10 0 DGAERO Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247917123 432254874 /nfs/dbraw/zinc/25/48/74/432254874.db2.gz BGEABUAPFJJGPI-ICSRJNTNSA-N 1 0 308.425 3.099 10 0 DGAERO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183094388 432257683 /nfs/dbraw/zinc/25/76/83/432257683.db2.gz HJKOUIUSFALZGM-WFASDCNBSA-N 1 0 317.385 3.267 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000191384004 432258101 /nfs/dbraw/zinc/25/81/01/432258101.db2.gz UBKMVQKMEJTICV-OAHLLOKOSA-N 1 0 300.450 3.405 10 0 DGAERO COC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(Cl)cc1 ZINC000194043848 274050878 /nfs/dbraw/zinc/05/08/78/274050878.db2.gz BMGXZAGFJKJRBI-SQNIBIBYSA-N 1 0 317.816 3.275 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1COCC1(C)C ZINC000312977110 274230317 /nfs/dbraw/zinc/23/03/17/274230317.db2.gz NDBCQUVHDAHHCR-SMDDNHRTSA-N 1 0 312.251 3.395 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000112549865 274261739 /nfs/dbraw/zinc/26/17/39/274261739.db2.gz MJDCVXOFTJUWPD-CJNGLKHVSA-N 1 0 316.836 3.450 10 0 DGAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000031934801 274287992 /nfs/dbraw/zinc/28/79/92/274287992.db2.gz JKFAVTDCTAUGJN-ZYHUDNBSSA-N 1 0 317.458 3.142 10 0 DGAERO C[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C[NH3+])C1 ZINC000262537315 274302636 /nfs/dbraw/zinc/30/26/36/274302636.db2.gz QLXUMSASGDIDPP-TZMCWYRMSA-N 1 0 324.852 3.061 10 0 DGAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCc1cccc2ccccc21 ZINC000466668406 274311121 /nfs/dbraw/zinc/31/11/21/274311121.db2.gz YSHCZTULAXPRHH-HZPDHXFCSA-N 1 0 310.441 3.371 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)c2cc3cc(Cl)ccc3o2)C[N@@H+]1C1CC1 ZINC000177201855 274391261 /nfs/dbraw/zinc/39/12/61/274391261.db2.gz UIVAZDQGSLSHOC-ZWNOBZJWSA-N 1 0 318.804 3.441 10 0 DGAERO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)C1CCSCC1 ZINC000187005998 274510285 /nfs/dbraw/zinc/51/02/85/274510285.db2.gz LDAVHHFHLCICSV-AWEZNQCLSA-N 1 0 305.491 3.172 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccccn1 ZINC000159345998 274521263 /nfs/dbraw/zinc/52/12/63/274521263.db2.gz IXOYOQNEYPHIOP-QWHCGFSZSA-N 1 0 303.356 3.289 10 0 DGAERO C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)c1cn[nH]c1 ZINC000222454147 274529308 /nfs/dbraw/zinc/52/93/08/274529308.db2.gz BBQTWRVZZCIKNW-BONVTDFDSA-N 1 0 320.234 3.380 10 0 DGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000089732109 274690982 /nfs/dbraw/zinc/69/09/82/274690982.db2.gz KQUURMLHQUKGCG-FUHWJXTLSA-N 1 0 310.445 3.413 10 0 DGAERO Cc1cc(C)n2c(C[NH2+][C@@H]3CCOc4c(C)cccc43)cnc2n1 ZINC000188873851 274693539 /nfs/dbraw/zinc/69/35/39/274693539.db2.gz NGSWEUGLIYFCMX-QGZVFWFLSA-N 1 0 322.412 3.268 10 0 DGAERO Cc1cc(F)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247977737 432259181 /nfs/dbraw/zinc/25/91/81/432259181.db2.gz GSFSAQRCNCOEBB-MSOLQXFVSA-N 1 0 312.388 3.309 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c(C)c1 ZINC000192814276 274756712 /nfs/dbraw/zinc/75/67/12/274756712.db2.gz KINNWJYMBZOCHJ-SJORKVTESA-N 1 0 310.445 3.413 10 0 DGAERO Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000180600588 274883056 /nfs/dbraw/zinc/88/30/56/274883056.db2.gz XFZWJIJIJRSITE-TVQRCGJNSA-N 1 0 323.227 3.177 10 0 DGAERO Cn1cnc(CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000313264141 274898993 /nfs/dbraw/zinc/89/89/93/274898993.db2.gz NFEUEQFULCLNJS-AWEZNQCLSA-N 1 0 307.850 3.443 10 0 DGAERO O=C1[C@H]([NH+]2C[C@H]3CCCC[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000446785440 275030554 /nfs/dbraw/zinc/03/05/54/275030554.db2.gz PXYMDIRQPSZDGJ-XJKCOSOUSA-N 1 0 320.383 3.192 10 0 DGAERO O[C@@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C1CCC1 ZINC000453396100 275052600 /nfs/dbraw/zinc/05/26/00/275052600.db2.gz YAOCMBCGHWAVTA-GJZGRUSLSA-N 1 0 314.351 3.228 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000247951647 275057509 /nfs/dbraw/zinc/05/75/09/275057509.db2.gz FBQFXCVRGXLXQS-UAGQMJEPSA-N 1 0 309.837 3.000 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+][C@H]3CCc4ccccc4OC3)C2)cc1 ZINC000493914635 275067657 /nfs/dbraw/zinc/06/76/57/275067657.db2.gz AUTPISRPTNZSQS-HKUYNNGSSA-N 1 0 322.452 3.496 10 0 DGAERO c1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)CC2 ZINC000171597765 275076489 /nfs/dbraw/zinc/07/64/89/275076489.db2.gz VUYDYCGXFQTAIY-RTBURBONSA-N 1 0 318.424 3.167 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277110728 275399581 /nfs/dbraw/zinc/39/95/81/275399581.db2.gz DGSIONIKWXGBDS-TUQDCPSNSA-N 1 0 304.409 3.172 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000155226049 275477347 /nfs/dbraw/zinc/47/73/47/275477347.db2.gz GJUBVGYLPWNRNM-VMBOVVBDSA-N 1 0 316.445 3.326 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3ccc(F)cc31)CC2 ZINC000175010784 275763042 /nfs/dbraw/zinc/76/30/42/275763042.db2.gz UKYOSZOYTIPONQ-GDBMZVCRSA-N 1 0 314.408 3.133 10 0 DGAERO CC1(C)CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176033252 275812740 /nfs/dbraw/zinc/81/27/40/275812740.db2.gz PIMLZTZBANEZPC-UHFFFAOYSA-N 1 0 307.482 3.225 10 0 DGAERO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000178194620 275862165 /nfs/dbraw/zinc/86/21/65/275862165.db2.gz CVLIVIVFTZUVRY-MAUKXSAKSA-N 1 0 322.456 3.458 10 0 DGAERO CCCc1cc(N2CCO[C@@]3(CCOC3)C2)c2ccccc2[nH+]1 ZINC000274354681 276055300 /nfs/dbraw/zinc/05/53/00/276055300.db2.gz BPMZLYKDSSDCPY-IBGZPJMESA-N 1 0 312.413 3.183 10 0 DGAERO CCN(Cc1nnc(C)o1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248042802 276144869 /nfs/dbraw/zinc/14/48/69/276144869.db2.gz UDQZIDVERVSCML-PBHICJAKSA-N 1 0 314.433 3.035 10 0 DGAERO C[C@H](CSc1nnc(Nc2ccccc2F)s1)[NH+](C)C ZINC000479232952 429719618 /nfs/dbraw/zinc/71/96/18/429719618.db2.gz XSPKHFIZNRTXII-SECBINFHSA-N 1 0 312.439 3.463 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3c1cccc3Cl)CC2 ZINC000152796676 276694796 /nfs/dbraw/zinc/69/47/96/276694796.db2.gz UIEYBEAFUDVVDU-XHDPSFHLSA-N 1 0 316.836 3.086 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@H](C)c3c1cccc3C)CC2 ZINC000180627636 276695799 /nfs/dbraw/zinc/69/57/99/276695799.db2.gz QYESSURLUWVKFT-LZWOXQAQSA-N 1 0 310.445 3.302 10 0 DGAERO CC(C)(C)c1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)n(C(C)(C)C)n1 ZINC000236781200 277265487 /nfs/dbraw/zinc/26/54/87/277265487.db2.gz SWUGNSBFIMYDKB-STQMWFEESA-N 1 0 320.481 3.392 10 0 DGAERO COC(=O)C1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000190568996 277311941 /nfs/dbraw/zinc/31/19/41/277311941.db2.gz DLZNPJAFOAETKI-SEEARECTSA-N 1 0 303.402 3.091 10 0 DGAERO COc1c(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c(C)nn1C ZINC000245739338 277363998 /nfs/dbraw/zinc/36/39/98/277363998.db2.gz LJUKDZFHHBXSCQ-DOMZBBRYSA-N 1 0 317.408 3.254 10 0 DGAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000228931978 277659564 /nfs/dbraw/zinc/65/95/64/277659564.db2.gz OTDRXRZOAQSPBN-WDEREUQCSA-N 1 0 302.340 3.269 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000471792902 277661721 /nfs/dbraw/zinc/66/17/21/277661721.db2.gz LQLJDFWZFCMZLD-LZLYRXPVSA-N 1 0 300.377 3.467 10 0 DGAERO COc1ccc(CC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000245871759 277887286 /nfs/dbraw/zinc/88/72/86/277887286.db2.gz JMJZPQFHFSMYSU-KBRIMQKVSA-N 1 0 307.409 3.170 10 0 DGAERO COc1cccc2c1CC[C@H]([NH2+][C@H]1CCO[C@@H](C3CC3)C1)C2 ZINC000249043571 278035877 /nfs/dbraw/zinc/03/58/77/278035877.db2.gz NLBBIQZDTOWQDU-TXPKVOOTSA-N 1 0 301.430 3.100 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCSC2)c2ccc(F)cc2C1 ZINC000184526515 278056661 /nfs/dbraw/zinc/05/66/61/278056661.db2.gz XRDLKBUCKWTZHT-WBVHZDCISA-N 1 0 322.449 3.104 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245754114 278091631 /nfs/dbraw/zinc/09/16/31/278091631.db2.gz HJRFEQHXJNBWOZ-DZGCQCFKSA-N 1 0 324.900 3.113 10 0 DGAERO CC(=O)Nc1ccccc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000092785841 278212564 /nfs/dbraw/zinc/21/25/64/278212564.db2.gz BRBMXWSEQGUNDH-SFHVURJKSA-N 1 0 315.461 3.095 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000232826912 278220958 /nfs/dbraw/zinc/22/09/58/278220958.db2.gz MFRXQQODNNXZBA-GRYCIOLGSA-N 1 0 306.372 3.002 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416333116 278233812 /nfs/dbraw/zinc/23/38/12/278233812.db2.gz KGULHZVJYUCOTF-OAHLLOKOSA-N 1 0 310.482 3.105 10 0 DGAERO C[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)C1CCS(=O)(=O)CC1 ZINC000187395073 278276174 /nfs/dbraw/zinc/27/61/74/278276174.db2.gz WLGBRQSJINNNGA-QWQRMKEZSA-N 1 0 321.486 3.428 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCCO1 ZINC000183201582 278338926 /nfs/dbraw/zinc/33/89/26/278338926.db2.gz GOOPCEZHRKWUHW-BEFAXECRSA-N 1 0 324.424 3.449 10 0 DGAERO C[C@H]1CCCN(c2ncc(Cl)cc2Br)[C@@H]1C[NH3+] ZINC000159668366 278344633 /nfs/dbraw/zinc/34/46/33/278344633.db2.gz QNWZTGACALGHOR-GZMMTYOYSA-N 1 0 318.646 3.061 10 0 DGAERO CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000124258292 278371150 /nfs/dbraw/zinc/37/11/50/278371150.db2.gz ZJTRWZLZVFPOBP-GRAKBVBRSA-N 1 0 311.466 3.028 10 0 DGAERO CC1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000262647536 278528133 /nfs/dbraw/zinc/52/81/33/278528133.db2.gz STKIMUWRWBPVNG-JCCCHCCOSA-N 1 0 322.493 3.090 10 0 DGAERO C[C@@H]1c2cccn2CCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000173179283 279141061 /nfs/dbraw/zinc/14/10/61/279141061.db2.gz KHRBTJZGMZYRFE-OAHLLOKOSA-N 1 0 301.409 3.136 10 0 DGAERO CCC[N@H+](C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000069091893 431161915 /nfs/dbraw/zinc/16/19/15/431161915.db2.gz IZBKVCWLOYTACQ-LJQANCHMSA-N 1 0 313.441 3.495 10 0 DGAERO CC(C)[NH+](CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000109079048 431168644 /nfs/dbraw/zinc/16/86/44/431168644.db2.gz VGVMGCIKPPTIDM-GJZGRUSLSA-N 1 0 324.415 3.303 10 0 DGAERO O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109086004 431169668 /nfs/dbraw/zinc/16/96/68/431169668.db2.gz AZENLZQIJDBSIF-HUUCEWRRSA-N 1 0 322.399 3.061 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000069373334 431179224 /nfs/dbraw/zinc/17/92/24/431179224.db2.gz LXLSJYDODVYXNW-OAHLLOKOSA-N 1 0 320.481 3.383 10 0 DGAERO CCCO[C@H]1CCC[N@H+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000108493967 431145706 /nfs/dbraw/zinc/14/57/06/431145706.db2.gz PKAUFVSTKQFDHF-INIZCTEOSA-N 1 0 306.450 3.488 10 0 DGAERO C[C@H](O)C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000111288112 431210341 /nfs/dbraw/zinc/21/03/41/431210341.db2.gz QMFXOOWZQJNRQJ-NSHDSACASA-N 1 0 318.244 3.465 10 0 DGAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1cccc(Br)c1 ZINC000070086789 431238615 /nfs/dbraw/zinc/23/86/15/431238615.db2.gz REWKIJCNBSWYTG-SNVBAGLBSA-N 1 0 313.239 3.144 10 0 DGAERO CCN(CC1CC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000070058879 431240139 /nfs/dbraw/zinc/24/01/39/431240139.db2.gz XSXJIXDCYOVYBJ-UHFFFAOYSA-N 1 0 315.461 3.224 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000070173826 431243953 /nfs/dbraw/zinc/24/39/53/431243953.db2.gz FSDCFIDRCLEIOX-VXGBXAGGSA-N 1 0 317.260 3.431 10 0 DGAERO C[NH2+]CCC1CCN(Cc2csc(Br)c2)CC1 ZINC000070189913 431244902 /nfs/dbraw/zinc/24/49/02/431244902.db2.gz NGCHXUCVWQRASG-UHFFFAOYSA-N 1 0 317.296 3.332 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CCC[C@H]2C)cc(Br)c1O ZINC000071205772 431276151 /nfs/dbraw/zinc/27/61/51/431276151.db2.gz JYNHLCNXQHOJTG-BXKDBHETSA-N 1 0 314.223 3.442 10 0 DGAERO Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000112470314 431279309 /nfs/dbraw/zinc/27/93/09/431279309.db2.gz OYUNRECOMFPUOL-AEFFLSMTSA-N 1 0 317.477 3.428 10 0 DGAERO Cc1cc(F)ccc1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000071790673 431286292 /nfs/dbraw/zinc/28/62/92/431286292.db2.gz AJCHJTNWRNMVBL-LSDHHAIUSA-N 1 0 308.397 3.186 10 0 DGAERO Cc1cc(F)ccc1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000071790671 431286464 /nfs/dbraw/zinc/28/64/64/431286464.db2.gz AJCHJTNWRNMVBL-GJZGRUSLSA-N 1 0 308.397 3.186 10 0 DGAERO CCOc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC000071790534 431287277 /nfs/dbraw/zinc/28/72/77/431287277.db2.gz XNWGFNYVKSTZCX-HZPDHXFCSA-N 1 0 320.433 3.137 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCCOC2)cc1Br ZINC000112794258 431306787 /nfs/dbraw/zinc/30/67/87/431306787.db2.gz UYZVLXQIQRIXEG-JQWIXIFHSA-N 1 0 314.223 3.287 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H](COC)C1 ZINC000112988952 431324432 /nfs/dbraw/zinc/32/44/32/431324432.db2.gz STKHMQMYOHVKDS-HNNXBMFYSA-N 1 0 318.461 3.108 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc2ccccc2c1 ZINC000113225321 431335752 /nfs/dbraw/zinc/33/57/52/431335752.db2.gz MVZCIPIVFGJTDS-DNVCBOLYSA-N 1 0 308.425 3.077 10 0 DGAERO Cc1c2cccc(C)c2oc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113222355 431335888 /nfs/dbraw/zinc/33/58/88/431335888.db2.gz DQCBNVKTXBMFIR-DZGCQCFKSA-N 1 0 312.413 3.358 10 0 DGAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000072897182 431356934 /nfs/dbraw/zinc/35/69/34/431356934.db2.gz INCVGQVARCEOJQ-CHWSQXEVSA-N 1 0 317.458 3.380 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1ccccc1 ZINC000007817363 431363727 /nfs/dbraw/zinc/36/37/27/431363727.db2.gz YWANQONMYLQFAN-GOSISDBHSA-N 1 0 324.424 3.069 10 0 DGAERO c1csc(N2CCC[N@@H+](Cc3ccc4ccccc4n3)CC2)n1 ZINC000074352491 431416603 /nfs/dbraw/zinc/41/66/03/431416603.db2.gz ZLDZJIKKOFOJSD-UHFFFAOYSA-N 1 0 324.453 3.404 10 0 DGAERO Cc1ccc([C@H](C[NH3+])S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000008031203 431375851 /nfs/dbraw/zinc/37/58/51/431375851.db2.gz QITDQVRVZPKAIU-HNNXBMFYSA-N 1 0 309.818 3.122 10 0 DGAERO [NH3+]C[C@@H](c1c(F)cccc1Cl)S(=O)(=O)c1cccs1 ZINC000008037808 431376881 /nfs/dbraw/zinc/37/68/81/431376881.db2.gz KUJDFIYOEYWLFY-JTQLQIEISA-N 1 0 319.810 3.014 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1F ZINC000114226881 431379451 /nfs/dbraw/zinc/37/94/51/431379451.db2.gz JFBGUIHAETUPAW-ZIAGYGMSSA-N 1 0 322.424 3.276 10 0 DGAERO Cn1c(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)nc2ccccc2c1=O ZINC000114493955 431395953 /nfs/dbraw/zinc/39/59/53/431395953.db2.gz ZCWGNUAKLMWTHZ-HXUWFJFHSA-N 1 0 323.440 3.256 10 0 DGAERO CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CC)[C@@H](C)c1cccnc1 ZINC000115681711 431469835 /nfs/dbraw/zinc/46/98/35/431469835.db2.gz MXSRPCWARCINLQ-RDJZCZTQSA-N 1 0 318.465 3.049 10 0 DGAERO CCCN(CC1CC1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844420 431476018 /nfs/dbraw/zinc/47/60/18/431476018.db2.gz VQGPVSNBENXLRG-UHFFFAOYSA-N 1 0 321.440 3.219 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C12CCOCC2 ZINC000186207701 279878118 /nfs/dbraw/zinc/87/81/18/279878118.db2.gz JBDPNWOFKCMQEK-CEXWTWQISA-N 1 0 315.457 3.108 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116529811 431517961 /nfs/dbraw/zinc/51/79/61/431517961.db2.gz KGXSQYVAUJFAEF-LSDHHAIUSA-N 1 0 305.422 3.001 10 0 DGAERO Cc1ccc(C)c(C(=O)NC2CCN(c3cccc(C)n3)CC2)c1 ZINC000116667688 431518969 /nfs/dbraw/zinc/51/89/69/431518969.db2.gz GGQLINCZQPHFCS-UHFFFAOYSA-N 1 0 323.440 3.406 10 0 DGAERO COc1cccc2c1OC[C@@H]([NH2+]CCc1ccccc1Cl)C2 ZINC000012049626 431492019 /nfs/dbraw/zinc/49/20/19/431492019.db2.gz UBISZSLGYGELLC-HNNXBMFYSA-N 1 0 317.816 3.484 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000075688528 431492363 /nfs/dbraw/zinc/49/23/63/431492363.db2.gz LDDPABTVPWGUOG-NVXWUHKLSA-N 1 0 303.450 3.167 10 0 DGAERO Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116252995 431496373 /nfs/dbraw/zinc/49/63/73/431496373.db2.gz XZCGJTVVHMYBRU-QFBILLFUSA-N 1 0 323.440 3.030 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)CC[NH2+]1 ZINC000262337746 279943629 /nfs/dbraw/zinc/94/36/29/279943629.db2.gz GJKSBSDQSKEUFY-HUBLWGQQSA-N 1 0 322.836 3.058 10 0 DGAERO C[C@H](C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000116878768 431536419 /nfs/dbraw/zinc/53/64/19/431536419.db2.gz YCJFIQAOCFUXIX-SJLPKXTDSA-N 1 0 310.445 3.181 10 0 DGAERO C[C@H]1C[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000129842499 280021254 /nfs/dbraw/zinc/02/12/54/280021254.db2.gz SQKKEMNNTVWPBJ-IMTBSYHQSA-N 1 0 320.028 3.105 10 0 DGAERO C[C@H]1[C@@H](C(F)(F)F)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000450887404 280095420 /nfs/dbraw/zinc/09/54/20/280095420.db2.gz IMGQTSSKQZTYNN-ZFWWWQNUSA-N 1 0 300.368 3.391 10 0 DGAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000117604136 431570690 /nfs/dbraw/zinc/57/06/90/431570690.db2.gz SKKQSMHSBZGOHS-FZKQIMNGSA-N 1 0 310.397 3.251 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1csc(Br)c1 ZINC000077204261 431572415 /nfs/dbraw/zinc/57/24/15/431572415.db2.gz RXAKIDSMAYCJJO-GHMZBOCLSA-N 1 0 304.253 3.151 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1csc(Br)c1 ZINC000077204255 431572703 /nfs/dbraw/zinc/57/27/03/431572703.db2.gz RXAKIDSMAYCJJO-QWRGUYRKSA-N 1 0 304.253 3.151 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000077204133 431573098 /nfs/dbraw/zinc/57/30/98/431573098.db2.gz CSDFJODLGXFSQX-MWLCHTKSSA-N 1 0 304.253 3.151 10 0 DGAERO C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C[C@@H]1CCCO1 ZINC000077277136 431579458 /nfs/dbraw/zinc/57/94/58/431579458.db2.gz FQYPYMZKJXXTPE-AWEZNQCLSA-N 1 0 321.808 3.043 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000174788606 280426937 /nfs/dbraw/zinc/42/69/37/280426937.db2.gz NYVPKLBDXROAFC-FUHWJXTLSA-N 1 0 313.445 3.020 10 0 DGAERO Fc1ccccc1-c1nc(CN2CC[NH+](C3CC3)CC2)cs1 ZINC000077376265 431589186 /nfs/dbraw/zinc/58/91/86/431589186.db2.gz KBWOLPNGSHQOPU-UHFFFAOYSA-N 1 0 317.433 3.229 10 0 DGAERO COc1ccc(CN(C(=O)C[N@@H+]2CCCC2(C)C)C2CC2)cc1 ZINC000077382560 431590039 /nfs/dbraw/zinc/59/00/39/431590039.db2.gz OETXAMZIEMLLBV-UHFFFAOYSA-N 1 0 316.445 3.061 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@@H](O)COCc2ccc(Cl)cc2)o1 ZINC000078254578 431652706 /nfs/dbraw/zinc/65/27/06/431652706.db2.gz GRMLBUWSKRQICR-MRXNPFEDSA-N 1 0 323.820 3.251 10 0 DGAERO C[C@H](CCC(C)(C)C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000077625320 431612721 /nfs/dbraw/zinc/61/27/21/431612721.db2.gz NBCYIMANXPXCSW-OAHLLOKOSA-N 1 0 309.498 3.471 10 0 DGAERO CSCCCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000077662184 431613854 /nfs/dbraw/zinc/61/38/54/431613854.db2.gz NHEBYYCNTWGKDJ-MRXNPFEDSA-N 1 0 323.506 3.040 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1OCC1CC1 ZINC000077728004 431621548 /nfs/dbraw/zinc/62/15/48/431621548.db2.gz ULTLMBYGZOZTSG-CQSZACIVSA-N 1 0 319.449 3.327 10 0 DGAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)C(C)C)C2)c1 ZINC000119386130 431687498 /nfs/dbraw/zinc/68/74/98/431687498.db2.gz GYLHFVBYMMPYCB-HUUCEWRRSA-N 1 0 306.450 3.164 10 0 DGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000078691198 431696605 /nfs/dbraw/zinc/69/66/05/431696605.db2.gz HXKORBQWRJRJIX-NWDGAFQWSA-N 1 0 310.413 3.178 10 0 DGAERO Cc1ccccc1SCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000119524716 431704169 /nfs/dbraw/zinc/70/41/69/431704169.db2.gz VTSXCEIONOUDMP-CVEARBPZSA-N 1 0 318.486 3.030 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1SCCc2ccccc21 ZINC000079561291 431730919 /nfs/dbraw/zinc/73/09/19/431730919.db2.gz ISTLIOPJOSUZLQ-PBHICJAKSA-N 1 0 318.486 3.008 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1F ZINC000120964717 431737010 /nfs/dbraw/zinc/73/70/10/431737010.db2.gz OWVDSEONVXKZRX-SCLBCKFNSA-N 1 0 312.388 3.198 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000079822315 431749068 /nfs/dbraw/zinc/74/90/68/431749068.db2.gz KTPLVETXFNUNLT-HNNXBMFYSA-N 1 0 318.436 3.091 10 0 DGAERO CCCc1nc(CN(C)[C@@H]2C[C@H](OCC)C23CCCC3)no1 ZINC000121241417 431758585 /nfs/dbraw/zinc/75/85/85/431758585.db2.gz MGCBYPDDKSCVAC-KGLIPLIRSA-N 1 0 307.438 3.192 10 0 DGAERO Cc1cn2c(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)c(C)nc2s1 ZINC000121266407 431760905 /nfs/dbraw/zinc/76/09/05/431760905.db2.gz DZQNSTATUPHZIJ-CYBMUJFWSA-N 1 0 315.446 3.115 10 0 DGAERO CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000119657378 431714299 /nfs/dbraw/zinc/71/42/99/431714299.db2.gz FXQNXIBMJCFWSF-XUVXKRRUSA-N 1 0 323.569 3.455 10 0 DGAERO CCCC1CCC([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000121519655 431798238 /nfs/dbraw/zinc/79/82/38/431798238.db2.gz FQAODUWNQUJYCN-VQCLRJIVSA-N 1 0 324.490 3.344 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Br)cc1 ZINC000083551045 431807836 /nfs/dbraw/zinc/80/78/36/431807836.db2.gz YZHOKGCVSNOOBW-IUODEOHRSA-N 1 0 309.251 3.118 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1Br)[C@H](C)CO ZINC000080518306 431769116 /nfs/dbraw/zinc/76/91/16/431769116.db2.gz WQIAUIPGYUZTDH-RKDXNWHRSA-N 1 0 306.631 3.209 10 0 DGAERO CC1CC[NH+](CCNC(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC000080551500 431770370 /nfs/dbraw/zinc/77/03/70/431770370.db2.gz SEVZEKREEYJBLN-NSCUHMNNSA-N 1 0 304.409 3.077 10 0 DGAERO CCc1noc([C@@H](C)N2CC[NH+](CC3CCC(C)CC3)CC2)n1 ZINC000121423506 431782340 /nfs/dbraw/zinc/78/23/40/431782340.db2.gz CSIMURGRWHOVBT-HWOWSKLDSA-N 1 0 320.481 3.137 10 0 DGAERO O[C@]1(C(F)(F)F)CCN(Cc2csc(C3CCCC3)n2)C1 ZINC000081085139 431783386 /nfs/dbraw/zinc/78/33/86/431783386.db2.gz TXPWMHCGMRYSQQ-CYBMUJFWSA-N 1 0 320.380 3.300 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000036825302 431841895 /nfs/dbraw/zinc/84/18/95/431841895.db2.gz WMPQGQMANLSTMN-BXKDBHETSA-N 1 0 317.216 3.089 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccccc2F)CC[N@@H+]1C ZINC000122704069 431842297 /nfs/dbraw/zinc/84/22/97/431842297.db2.gz SCTSPTOOMLJWPU-KBPBESRZSA-N 1 0 306.425 3.044 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000085963077 431842987 /nfs/dbraw/zinc/84/29/87/431842987.db2.gz DSZOSFAWIISFEF-FZMZJTMJSA-N 1 0 316.214 3.229 10 0 DGAERO COC(=O)c1occc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037318786 431846220 /nfs/dbraw/zinc/84/62/20/431846220.db2.gz AISDACNLIXVKPB-GHMZBOCLSA-N 1 0 305.296 3.277 10 0 DGAERO CC(C)c1ccc(OCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000122850970 431846250 /nfs/dbraw/zinc/84/62/50/431846250.db2.gz HHRIUXCPDBPJAC-RDJZCZTQSA-N 1 0 318.461 3.130 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccc(Cl)c3ncccc23)CC1 ZINC000037630317 431849194 /nfs/dbraw/zinc/84/91/94/431849194.db2.gz LCDVMPIHBQQMBV-UHFFFAOYSA-N 1 0 303.793 3.344 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)CC/C=C/c2ccccc2)CC[N@@H+]1C ZINC000122952323 431849709 /nfs/dbraw/zinc/84/97/09/431849709.db2.gz ORZALDDEQHNVRV-DDIQYJBLSA-N 1 0 300.446 3.421 10 0 DGAERO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000037805017 431850418 /nfs/dbraw/zinc/85/04/18/431850418.db2.gz MDSDJJRVQLBKIH-CYBMUJFWSA-N 1 0 303.233 3.325 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037804929 431851033 /nfs/dbraw/zinc/85/10/33/431851033.db2.gz YOGBDCRRIUXDAE-KBMXLJTQSA-N 1 0 306.837 3.219 10 0 DGAERO C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000123002279 431851679 /nfs/dbraw/zinc/85/16/79/431851679.db2.gz XUWDQONJBZJMOQ-QLFBSQMISA-N 1 0 306.425 3.260 10 0 DGAERO C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1F ZINC000123002115 431851792 /nfs/dbraw/zinc/85/17/92/431851792.db2.gz XUWDQONJBZJMOQ-RBSFLKMASA-N 1 0 306.425 3.260 10 0 DGAERO Fc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988750 431853151 /nfs/dbraw/zinc/85/31/51/431853151.db2.gz VIDGCPRBQWSJTM-LBPRGKRZSA-N 1 0 302.187 3.247 10 0 DGAERO Cc1nccc(C[NH2+][C@H](C)c2cccc(Br)c2)n1 ZINC000038037419 431854218 /nfs/dbraw/zinc/85/42/18/431854218.db2.gz WAVLNQGHUCDWMU-SNVBAGLBSA-N 1 0 306.207 3.398 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1c(Cl)ccc(F)c1Cl ZINC000038060341 431854565 /nfs/dbraw/zinc/85/45/65/431854565.db2.gz ZRWGFJPJOIDMHF-RKDXNWHRSA-N 1 0 308.180 3.199 10 0 DGAERO c1ccc2sc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000038090501 431855316 /nfs/dbraw/zinc/85/53/16/431855316.db2.gz RXKXEWIJZBKTGO-KGLIPLIRSA-N 1 0 301.459 3.260 10 0 DGAERO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000088230565 431856399 /nfs/dbraw/zinc/85/63/99/431856399.db2.gz LXSUSIXPRODSHV-ZWKOTPCHSA-N 1 0 318.461 3.386 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)c(F)c(C)c1 ZINC000123268686 431859997 /nfs/dbraw/zinc/85/99/97/431859997.db2.gz MLDGMNCSXVIEJV-HZPDHXFCSA-N 1 0 304.409 3.141 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000089160313 431860262 /nfs/dbraw/zinc/86/02/62/431860262.db2.gz LVFJJTKREKVYTO-ADNDVJRGSA-N 1 0 324.262 3.446 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000089151294 431860547 /nfs/dbraw/zinc/86/05/47/431860547.db2.gz NVKQRHVSJSDRFS-SKDRFNHKSA-N 1 0 305.752 3.192 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CCCC3)CC[N@@H+]1C ZINC000123402304 431864387 /nfs/dbraw/zinc/86/43/87/431864387.db2.gz XWHQWQUOMANUJW-OCCSQVGLSA-N 1 0 306.475 3.182 10 0 DGAERO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C(C)C)c1 ZINC000043066958 431867204 /nfs/dbraw/zinc/86/72/04/431867204.db2.gz GAMNGCVTWNRLAU-OAHLLOKOSA-N 1 0 305.466 3.372 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000089517841 431868485 /nfs/dbraw/zinc/86/84/85/431868485.db2.gz CGNBSUFHQXISBZ-SECBINFHSA-N 1 0 315.295 3.170 10 0 DGAERO CCCOc1ccccc1NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000043452359 431868642 /nfs/dbraw/zinc/86/86/42/431868642.db2.gz GWXQQMNACRRJCP-CQSZACIVSA-N 1 0 307.438 3.327 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123614808 431870063 /nfs/dbraw/zinc/87/00/63/431870063.db2.gz MWNCKIHWTKJYHF-CZUORRHYSA-N 1 0 308.853 3.214 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2ncc(-c3cccs3)o2)CC[N@@H+]1C ZINC000123674455 431871337 /nfs/dbraw/zinc/87/13/37/431871337.db2.gz KNNFRGDSAWSWJE-OLZOCXBDSA-N 1 0 305.447 3.318 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2Cl)[C@H](C)C1 ZINC000122233032 431822861 /nfs/dbraw/zinc/82/28/61/431822861.db2.gz OTYPMXMTUQESOU-CZUORRHYSA-N 1 0 308.853 3.071 10 0 DGAERO COc1cc(C[NH2+][C@H](C)C2CC2)cc(Br)c1O ZINC000035136527 431825955 /nfs/dbraw/zinc/82/59/55/431825955.db2.gz UGMPQAORFMHWRG-MRVPVSSYSA-N 1 0 300.196 3.051 10 0 DGAERO Cc1ccc(/C=C/CC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000084755648 431832857 /nfs/dbraw/zinc/83/28/57/431832857.db2.gz NZJCFHACEDFSOY-ONEGZZNKSA-N 1 0 300.446 3.246 10 0 DGAERO Cc1ccc(C[N@H+](C[C@H](O)COCc2ccco2)C2CC2)cc1 ZINC000036101864 431835361 /nfs/dbraw/zinc/83/53/61/431835361.db2.gz HSNUFPMZKQKRNM-SFHVURJKSA-N 1 0 315.413 3.130 10 0 DGAERO CN(CCOc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000036300486 431837456 /nfs/dbraw/zinc/83/74/56/431837456.db2.gz YIIOQJYCRPJWOG-UHFFFAOYSA-N 1 0 303.233 3.056 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)[NH+](C)C ZINC000124926348 431908514 /nfs/dbraw/zinc/90/85/14/431908514.db2.gz JXEHFTMSTRPCEE-SFHVURJKSA-N 1 0 311.429 3.341 10 0 DGAERO O=C(Nc1cccc2cccnc21)N1CCC([NH+]2CCCC2)CC1 ZINC000047376932 431909491 /nfs/dbraw/zinc/90/94/91/431909491.db2.gz SKSQNXJFRNFPOW-UHFFFAOYSA-N 1 0 324.428 3.327 10 0 DGAERO C[C@@H]1CCCCN1CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092561307 431909855 /nfs/dbraw/zinc/90/98/55/431909855.db2.gz JTPWDOWSHWEAIH-KLAILNCOSA-N 1 0 324.509 3.351 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000092568659 431910917 /nfs/dbraw/zinc/91/09/17/431910917.db2.gz ISNVMHUVOAXIIF-PMPSAXMXSA-N 1 0 313.445 3.201 10 0 DGAERO Fc1c(Cl)cccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000125064782 431913023 /nfs/dbraw/zinc/91/30/23/431913023.db2.gz BRVVBDIIGNENSO-GFCCVEGCSA-N 1 0 307.752 3.409 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)o1 ZINC000093011805 431913514 /nfs/dbraw/zinc/91/35/14/431913514.db2.gz QEPKLKNXWDQYHS-NUJGCVRESA-N 1 0 318.461 3.090 10 0 DGAERO CCOC(C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1)OCC ZINC000125136362 431914736 /nfs/dbraw/zinc/91/47/36/431914736.db2.gz NRSPFISFLHZHMI-INIZCTEOSA-N 1 0 323.408 3.262 10 0 DGAERO Cc1cn2c(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)c(C)nc2s1 ZINC000093506982 431915923 /nfs/dbraw/zinc/91/59/23/431915923.db2.gz RRBLSSNLKDRZIM-HIFRSBDPSA-N 1 0 305.447 3.014 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000047883111 431916649 /nfs/dbraw/zinc/91/66/49/431916649.db2.gz HPQXDQJCZVXPAM-HNNXBMFYSA-N 1 0 303.450 3.228 10 0 DGAERO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000047973781 431917162 /nfs/dbraw/zinc/91/71/62/431917162.db2.gz OFSLGMGUIRSEOU-HIFRSBDPSA-N 1 0 317.458 3.411 10 0 DGAERO Cc1ccccc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000048018075 431918527 /nfs/dbraw/zinc/91/85/27/431918527.db2.gz FHUGHSSRXWZQPS-SFHVURJKSA-N 1 0 311.429 3.097 10 0 DGAERO C[C@@]1(C(=O)Nc2ccc(Cl)c(Br)c2)CCC[NH2+]1 ZINC000094670572 431919505 /nfs/dbraw/zinc/91/95/05/431919505.db2.gz IJSYJGITYIHJJE-LBPRGKRZSA-N 1 0 317.614 3.183 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)CCCO ZINC000094942606 431920192 /nfs/dbraw/zinc/92/01/92/431920192.db2.gz JHSYKMQOUXHUCV-QWHCGFSZSA-N 1 0 301.377 3.360 10 0 DGAERO Clc1ncc(COCCC[C@@H]2CCCC[NH2+]2)c(Cl)n1 ZINC000095070231 431920776 /nfs/dbraw/zinc/92/07/76/431920776.db2.gz YRSFTSXOPUBDHB-NSHDSACASA-N 1 0 304.221 3.222 10 0 DGAERO C[C@@H](c1ccccn1)[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095088726 431921071 /nfs/dbraw/zinc/92/10/71/431921071.db2.gz LCYMQQMRCPFCAX-UONOGXRCSA-N 1 0 305.422 3.084 10 0 DGAERO C[C@@H](c1ccccn1)[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095088763 431921647 /nfs/dbraw/zinc/92/16/47/431921647.db2.gz QYDJGKSXYOYZKO-AWEZNQCLSA-N 1 0 319.449 3.474 10 0 DGAERO Fc1cccc(Cn2c3ccccc3nc2N2CCC[NH2+]CC2)c1 ZINC000095077126 431921733 /nfs/dbraw/zinc/92/17/33/431921733.db2.gz ZFOCYRJKUJBZEJ-UHFFFAOYSA-N 1 0 324.403 3.023 10 0 DGAERO c1ccc2nc(OCC[C@H]3CCCC[NH2+]3)c(NC3CC3)nc2c1 ZINC000095092477 431922260 /nfs/dbraw/zinc/92/22/60/431922260.db2.gz RCTFEBRHCQVVPI-CYBMUJFWSA-N 1 0 312.417 3.115 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1 ZINC000095089202 431922448 /nfs/dbraw/zinc/92/24/48/431922448.db2.gz WQYNZBOJGYADEO-KGLIPLIRSA-N 1 0 307.438 3.312 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)s1 ZINC000089733032 431876344 /nfs/dbraw/zinc/87/63/44/431876344.db2.gz MIGCBGJEDNNJDK-KGLIPLIRSA-N 1 0 316.474 3.420 10 0 DGAERO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089733409 431876856 /nfs/dbraw/zinc/87/68/56/431876856.db2.gz PUXWYVWSASTUKU-MJGOQNOKSA-N 1 0 324.472 3.365 10 0 DGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1scnc1C1CC1 ZINC000089769457 431878287 /nfs/dbraw/zinc/87/82/87/431878287.db2.gz BPJCXPCVJYIYHI-UHFFFAOYSA-N 1 0 323.506 3.461 10 0 DGAERO Cc1ccc(C)c(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123959110 431879775 /nfs/dbraw/zinc/87/97/75/431879775.db2.gz WESREYQKRIBDOH-SJORKVTESA-N 1 0 318.461 3.013 10 0 DGAERO C[NH+](C)CC[C@H](NC(=O)c1scnc1C1CC1)C(C)(C)C ZINC000089811009 431880129 /nfs/dbraw/zinc/88/01/29/431880129.db2.gz JOEFLQZRFGNDNK-LBPRGKRZSA-N 1 0 309.479 3.117 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2csc3ccc(Cl)cc23)C1 ZINC000124033965 431880874 /nfs/dbraw/zinc/88/08/74/431880874.db2.gz BERYDQFJIVAGBF-ZDUSSCGKSA-N 1 0 322.861 3.260 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000124015118 431881074 /nfs/dbraw/zinc/88/10/74/431881074.db2.gz GQYYYRIPJXXMBZ-GOSISDBHSA-N 1 0 319.424 3.288 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000124014932 431881106 /nfs/dbraw/zinc/88/11/06/431881106.db2.gz GQYYYRIPJXXMBZ-SFHVURJKSA-N 1 0 319.424 3.288 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000089827356 431881436 /nfs/dbraw/zinc/88/14/36/431881436.db2.gz LOVMRTODEOTSKO-RDTXWAMCSA-N 1 0 310.397 3.255 10 0 DGAERO C[C@@H]1C[C@H](N(C)c2nc(-c3ccccc3)ns2)CC[N@@H+]1C ZINC000125448494 431925529 /nfs/dbraw/zinc/92/55/29/431925529.db2.gz LQQYTLVZUMLUIB-TZMCWYRMSA-N 1 0 302.447 3.124 10 0 DGAERO CC[NH+](CC)CCNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000045544934 431887084 /nfs/dbraw/zinc/88/70/84/431887084.db2.gz PPLKXGLXKAPFRR-CYBMUJFWSA-N 1 0 311.857 3.384 10 0 DGAERO C[NH+](C)Cc1cccc(CNC(=O)NCCC2CCCC2)c1 ZINC000045639894 431887885 /nfs/dbraw/zinc/88/78/85/431887885.db2.gz BJANGJBXVNAHTR-UHFFFAOYSA-N 1 0 303.450 3.128 10 0 DGAERO Cn1nccc1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000124314882 431890229 /nfs/dbraw/zinc/89/02/29/431890229.db2.gz VDVHMWJSZMGYQA-UHFFFAOYSA-N 1 0 306.413 3.348 10 0 DGAERO C[C@@H]1CCc2sc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2C1 ZINC000124470767 431894929 /nfs/dbraw/zinc/89/49/29/431894929.db2.gz SBXOMPYJSCPTBM-NFAWXSAZSA-N 1 0 320.502 3.428 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)ccc1F ZINC000090801590 431895495 /nfs/dbraw/zinc/89/54/95/431895495.db2.gz RPISWHGAFORLGH-HIFRSBDPSA-N 1 0 315.392 3.159 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000046279505 431896680 /nfs/dbraw/zinc/89/66/80/431896680.db2.gz SWZFIACUMFWCRI-JKSUJKDBSA-N 1 0 305.466 3.428 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1 ZINC000090938234 431898937 /nfs/dbraw/zinc/89/89/37/431898937.db2.gz IDZFHDGPAWIMBO-LSDHHAIUSA-N 1 0 307.397 3.136 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000124645641 431899801 /nfs/dbraw/zinc/89/98/01/431899801.db2.gz PFXBHFRRNSNNJT-HOTGVXAUSA-N 1 0 321.465 3.316 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000046745631 431900549 /nfs/dbraw/zinc/90/05/49/431900549.db2.gz YCUGBOMLQTVNLW-IBGZPJMESA-N 1 0 310.441 3.428 10 0 DGAERO CCN1CC[C@@H]([NH2+]Cc2ncc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091071756 431900970 /nfs/dbraw/zinc/90/09/70/431900970.db2.gz PSXXHIRNUYWCMR-ZBFHGGJFSA-N 1 0 322.815 3.127 10 0 DGAERO Cc1ccc([C@H]2CCCCN2CC(=O)NCc2ccco2)o1 ZINC000124707220 431901584 /nfs/dbraw/zinc/90/15/84/431901584.db2.gz OJGWSKDHSJDDTH-OAHLLOKOSA-N 1 0 302.374 3.024 10 0 DGAERO Cc1cccc(N2CCC([NH2+][C@H](C)c3nccs3)CC2)n1 ZINC000091726112 431904932 /nfs/dbraw/zinc/90/49/32/431904932.db2.gz RAEFTGNFEYHDCR-CYBMUJFWSA-N 1 0 302.447 3.166 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(Cl)n(C)nc1C(C)C ZINC000091892689 431906496 /nfs/dbraw/zinc/90/64/96/431906496.db2.gz ZQGGVGJWHGPALU-KGLIPLIRSA-N 1 0 324.900 3.256 10 0 DGAERO Cc1cc2[nH]c(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c(C)c1 ZINC000127529567 431975136 /nfs/dbraw/zinc/97/51/36/431975136.db2.gz UJMIJDLGHQWAQI-HUUCEWRRSA-N 1 0 313.445 3.339 10 0 DGAERO CCCn1cc(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)cn1 ZINC000127572927 431975882 /nfs/dbraw/zinc/97/58/82/431975882.db2.gz LTWANMXKQHSHSJ-HNNXBMFYSA-N 1 0 304.463 3.438 10 0 DGAERO Cc1nc(CN2CCC[C@@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127740270 431979226 /nfs/dbraw/zinc/97/92/26/431979226.db2.gz DGAWEUZSRDJCJL-GFCCVEGCSA-N 1 0 306.435 3.338 10 0 DGAERO COc1cc([C@H](C)[NH2+]Cc2cccc(C)n2)cc(OC)c1OC ZINC000125521264 431928613 /nfs/dbraw/zinc/92/86/13/431928613.db2.gz UNTABKQOMCNPOJ-ZDUSSCGKSA-N 1 0 316.401 3.267 10 0 DGAERO Cc1nccn1CCCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000125531149 431929154 /nfs/dbraw/zinc/92/91/54/431929154.db2.gz PPPKSXMXRVNEGQ-GOSISDBHSA-N 1 0 305.466 3.395 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000125533353 431929336 /nfs/dbraw/zinc/92/93/36/431929336.db2.gz KSRCHHBUESNUAG-ABAIWWIYSA-N 1 0 318.244 3.433 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](C)CC2)c2ccccc21 ZINC000125671325 431932501 /nfs/dbraw/zinc/93/25/01/431932501.db2.gz TZJCESYHRJUDBJ-KDOFPFPSSA-N 1 0 315.461 3.266 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc2c(c1)CCCC2 ZINC000125765557 431934902 /nfs/dbraw/zinc/93/49/02/431934902.db2.gz DTZVARQNRNCOBV-BEFAXECRSA-N 1 0 303.446 3.005 10 0 DGAERO CC(C)[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000125773237 431934926 /nfs/dbraw/zinc/93/49/26/431934926.db2.gz XHIGQMRFCIFDHN-JTQLQIEISA-N 1 0 307.747 3.331 10 0 DGAERO Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000049073223 431936077 /nfs/dbraw/zinc/93/60/77/431936077.db2.gz HXDQDIWGTPMSDG-UHFFFAOYSA-N 1 0 300.446 3.251 10 0 DGAERO Cc1cc(C)cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000049073516 431936432 /nfs/dbraw/zinc/93/64/32/431936432.db2.gz HNFFPTYLYQTLIJ-UHFFFAOYSA-N 1 0 300.446 3.251 10 0 DGAERO Cc1cc2ncc([C@H](C)[NH2+]CCc3ccsc3)c(C)n2n1 ZINC000049153239 431937523 /nfs/dbraw/zinc/93/75/23/431937523.db2.gz KAOBCWVNQJRYSQ-LBPRGKRZSA-N 1 0 300.431 3.301 10 0 DGAERO CCc1cc(N2CCC(c3nnc[nH]3)CC2)c2ccccc2[nH+]1 ZINC000125966352 431939510 /nfs/dbraw/zinc/93/95/10/431939510.db2.gz IGEFZDQHYQDAOP-UHFFFAOYSA-N 1 0 307.401 3.299 10 0 DGAERO Brc1cccc(OCC[N@@H+]2CCCSCC2)c1 ZINC000049595671 431942698 /nfs/dbraw/zinc/94/26/98/431942698.db2.gz UTFKKBGUWOWVKW-UHFFFAOYSA-N 1 0 316.264 3.267 10 0 DGAERO c1[nH]c([C@H]2CCC[N@@H+](Cc3cncnc3)C2)nc1-c1ccccc1 ZINC000126143531 431943313 /nfs/dbraw/zinc/94/33/13/431943313.db2.gz RXWAWCUFPHCVBC-KRWDZBQOSA-N 1 0 319.412 3.246 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(c3ccccc3)CC2)C1 ZINC000052592478 431956813 /nfs/dbraw/zinc/95/68/13/431956813.db2.gz JAAZWPSGPRWYHP-SFHVURJKSA-N 1 0 315.461 3.060 10 0 DGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000052762322 431958407 /nfs/dbraw/zinc/95/84/07/431958407.db2.gz WXCZBJJGEYIFRS-LBPRGKRZSA-N 1 0 316.214 3.325 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1n[nH]c2c1CCCC2 ZINC000127017050 431962723 /nfs/dbraw/zinc/96/27/23/431962723.db2.gz YJVWNSCCHGNBNE-UHFFFAOYSA-N 1 0 324.428 3.137 10 0 DGAERO CCc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)oc1CC ZINC000127867336 431982992 /nfs/dbraw/zinc/98/29/92/431982992.db2.gz GMXLEFZMKMWVKI-HNNXBMFYSA-N 1 0 318.461 3.352 10 0 DGAERO CC(C)COC1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000056507850 431988159 /nfs/dbraw/zinc/98/81/59/431988159.db2.gz JDRAKUKWEREGQZ-INIZCTEOSA-N 1 0 324.509 3.303 10 0 DGAERO Cc1cccc([C@H](C)[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c1 ZINC000246257376 281254133 /nfs/dbraw/zinc/25/41/33/281254133.db2.gz AMASQFNSCCIHPR-AZUAARDMSA-N 1 0 315.505 3.158 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000128183336 431989124 /nfs/dbraw/zinc/98/91/24/431989124.db2.gz ALFRTHALVDZOBF-QZTJIDSGSA-N 1 0 312.461 3.209 10 0 DGAERO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000128270588 431991568 /nfs/dbraw/zinc/99/15/68/431991568.db2.gz KRQZWMYXWOPMHL-INIZCTEOSA-N 1 0 321.428 3.200 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000172549085 281376454 /nfs/dbraw/zinc/37/64/54/281376454.db2.gz UOOIWDKUWTYWQT-GOEBONIOSA-N 1 0 310.445 3.379 10 0 DGAERO Cc1ccccc1-c1nc(CN(CCCO)CC(C)(C)C)no1 ZINC000128360298 431992469 /nfs/dbraw/zinc/99/24/69/431992469.db2.gz OVOBJXJLXMNYHW-UHFFFAOYSA-N 1 0 317.433 3.276 10 0 DGAERO FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000248572186 432303146 /nfs/dbraw/zinc/30/31/46/432303146.db2.gz RNDOEPFHCIBGTR-RYUDHWBXSA-N 1 0 316.392 3.379 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1cccc(Cl)c1 ZINC000248127552 432269895 /nfs/dbraw/zinc/26/98/95/432269895.db2.gz OBQWCHHLVZLJAI-UAGQMJEPSA-N 1 0 309.837 3.000 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@@H]2CCSc3ccc(OC)cc32)C1 ZINC000191499713 432270478 /nfs/dbraw/zinc/27/04/78/432270478.db2.gz TUOIQSMVWWKFSD-XJKSGUPXSA-N 1 0 306.475 3.306 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(Cc3coc(-c4cccs4)n3)CC[C@H]21 ZINC000248127648 432270835 /nfs/dbraw/zinc/27/08/35/432270835.db2.gz OCJWJYVMTQPAPK-DZGCQCFKSA-N 1 0 317.458 3.319 10 0 DGAERO Cc1ccc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248128150 432271050 /nfs/dbraw/zinc/27/10/50/432271050.db2.gz VZZFNGVMFPOHIU-OALUTQOASA-N 1 0 308.425 3.479 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1c1ccccc1 ZINC000248146669 432271799 /nfs/dbraw/zinc/27/17/99/432271799.db2.gz ZUVLFTTWBXAEQL-IEBWSBKVSA-N 1 0 319.408 3.343 10 0 DGAERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C)c1 ZINC000248144878 432271916 /nfs/dbraw/zinc/27/19/16/432271916.db2.gz ZHPSEBILRAPKCV-MOPGFXCFSA-N 1 0 308.425 3.479 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]CCn1cc(C)cn1)CCS2 ZINC000191528408 432274800 /nfs/dbraw/zinc/27/48/00/432274800.db2.gz PEHMZELJXMZFKJ-HNNXBMFYSA-N 1 0 303.431 3.027 10 0 DGAERO CCCCSCCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000151795174 432276390 /nfs/dbraw/zinc/27/63/90/432276390.db2.gz QINBFPUUOVZVHT-MRXNPFEDSA-N 1 0 312.523 3.387 10 0 DGAERO COc1c(C)cc(C[N@H+](C)[C@H](C)C(=O)N2CCCCC2)cc1C ZINC000151813682 432278722 /nfs/dbraw/zinc/27/87/22/432278722.db2.gz NYPVLSGIVXDQDM-MRXNPFEDSA-N 1 0 318.461 3.145 10 0 DGAERO C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000173474046 432281084 /nfs/dbraw/zinc/28/10/84/432281084.db2.gz RSURMQNHWGOWLG-AWEZNQCLSA-N 1 0 304.409 3.016 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccncc2)[C@@H]2CCCC[C@H]21 ZINC000248373740 432281553 /nfs/dbraw/zinc/28/15/53/432281553.db2.gz LBIPIRHDAVPFIC-FHLIZLRMSA-N 1 0 310.445 3.493 10 0 DGAERO CCC[C@@H]1C[C@@H](C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000248573926 432303435 /nfs/dbraw/zinc/30/34/35/432303435.db2.gz OVLVSMLKHJFKDU-RCCFBDPRSA-N 1 0 322.493 3.059 10 0 DGAERO CC[C@]1(C)CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000173491712 432282332 /nfs/dbraw/zinc/28/23/32/432282332.db2.gz CUAXPPQCDPRWQY-PKOBYXMFSA-N 1 0 302.462 3.198 10 0 DGAERO CC(C)[C@H](C)CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248398659 432284483 /nfs/dbraw/zinc/28/44/83/432284483.db2.gz JCHAGQMCXILXRM-PMPSAXMXSA-N 1 0 309.498 3.231 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)[C@H]1C ZINC000248392038 432285332 /nfs/dbraw/zinc/28/53/32/432285332.db2.gz CTBSCYPJGFTHLZ-MXSMSXNCSA-N 1 0 302.462 3.100 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(C(C)(C)C)s1 ZINC000248413703 432288774 /nfs/dbraw/zinc/28/87/74/432288774.db2.gz LNGQGSRLFMNGLL-KGLIPLIRSA-N 1 0 307.507 3.499 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000151929535 432290673 /nfs/dbraw/zinc/29/06/73/432290673.db2.gz JFOTXBOJSFLLSY-UHFFFAOYSA-N 1 0 318.392 3.498 10 0 DGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000173635161 432291501 /nfs/dbraw/zinc/29/15/01/432291501.db2.gz LDGBWXQKRBPBKK-QGZVFWFLSA-N 1 0 324.509 3.064 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3cn4cccnc4n3)C2)c1 ZINC000183480670 432296852 /nfs/dbraw/zinc/29/68/52/432296852.db2.gz RBLPVTFGHWJNQY-MRXNPFEDSA-N 1 0 306.413 3.336 10 0 DGAERO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)C(C)(C)C)c1 ZINC000183510325 432298203 /nfs/dbraw/zinc/29/82/03/432298203.db2.gz BGDDREWWPMNZBE-CHWSQXEVSA-N 1 0 320.433 3.215 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000191756913 432298910 /nfs/dbraw/zinc/29/89/10/432298910.db2.gz UCFRJXPWLRQMJZ-RNCFNFMXSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(C)n1 ZINC000248548605 432299612 /nfs/dbraw/zinc/29/96/12/432299612.db2.gz GVJKPASBHCJKFC-IAGOWNOFSA-N 1 0 300.402 3.380 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)[C@H]1Oc1ccccc1 ZINC000248552863 432300480 /nfs/dbraw/zinc/30/04/80/432300480.db2.gz JIJGSHSWVAJZCQ-QMCVQRASSA-N 1 0 307.459 3.097 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000191775343 432301119 /nfs/dbraw/zinc/30/11/19/432301119.db2.gz ROLNWWOWZHZREE-GOSISDBHSA-N 1 0 312.388 3.025 10 0 DGAERO CC[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000057796612 431993921 /nfs/dbraw/zinc/99/39/21/431993921.db2.gz DNTKBABLQALYQV-IAGOWNOFSA-N 1 0 303.450 3.230 10 0 DGAERO CCCCCCC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000102648103 431995944 /nfs/dbraw/zinc/99/59/44/431995944.db2.gz IKHIBKOTRSVINW-IRXDYDNUSA-N 1 0 324.509 3.305 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000102687671 431997359 /nfs/dbraw/zinc/99/73/59/431997359.db2.gz QMSVYFUZSNOCQM-XQQFMLRXSA-N 1 0 310.388 3.120 10 0 DGAERO O=C(CC[N@H+](Cc1ccco1)C1CCCC1)NC1CCCC1 ZINC000060478254 431999955 /nfs/dbraw/zinc/99/99/55/431999955.db2.gz RLUXVCMWPAEKNK-UHFFFAOYSA-N 1 0 304.434 3.473 10 0 DGAERO COc1ccccc1-c1nc(C[NH2+][C@H](C)[C@@H]2CCCO2)cs1 ZINC000183152528 432263087 /nfs/dbraw/zinc/26/30/87/432263087.db2.gz BXNXTQQHLUGJSL-DOMZBBRYSA-N 1 0 318.442 3.476 10 0 DGAERO Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000248040568 432263312 /nfs/dbraw/zinc/26/33/12/432263312.db2.gz LWYDHPKAZLTTNC-AEFFLSMTSA-N 1 0 314.454 3.161 10 0 DGAERO CCCN(CC1CC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248043941 432263377 /nfs/dbraw/zinc/26/33/77/432263377.db2.gz MNLUVXILNSVIRV-ROUUACIJSA-N 1 0 315.461 3.263 10 0 DGAERO CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000248052130 432264208 /nfs/dbraw/zinc/26/42/08/432264208.db2.gz NWYWMMJDDQITLW-QZTJIDSGSA-N 1 0 315.461 3.406 10 0 DGAERO CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248042998 432264383 /nfs/dbraw/zinc/26/43/83/432264383.db2.gz MHCCGLVSMUYEPG-HKUYNNGSSA-N 1 0 324.424 3.261 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(Cc3csc(-c4ccco4)n3)CC[C@H]21 ZINC000248062277 432264939 /nfs/dbraw/zinc/26/49/39/432264939.db2.gz LYXZAXWHVDQXFH-UKRRQHHQSA-N 1 0 317.458 3.319 10 0 DGAERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1F ZINC000248074805 432265747 /nfs/dbraw/zinc/26/57/47/432265747.db2.gz QXYKSPLMALGTPP-ROUUACIJSA-N 1 0 312.388 3.309 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@H]2CCC[C@H]2O)s1 ZINC000248744616 432315998 /nfs/dbraw/zinc/31/59/98/432315998.db2.gz RWMINZDTNYKHOH-NXEZZACHSA-N 1 0 308.369 3.063 10 0 DGAERO CSCc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1F ZINC000174035802 432317155 /nfs/dbraw/zinc/31/71/55/432317155.db2.gz ORZLSPJGJWNWHF-UHFFFAOYSA-N 1 0 322.449 3.045 10 0 DGAERO c1ccc(COCCOCCC[NH2+][C@H]2CCCSC2)cc1 ZINC000183720944 432318517 /nfs/dbraw/zinc/31/85/17/432318517.db2.gz LLKNMPWNJISDCK-KRWDZBQOSA-N 1 0 309.475 3.095 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000248795451 432318568 /nfs/dbraw/zinc/31/85/68/432318568.db2.gz JELIKIRXDJSUEU-UCLAIMLFSA-N 1 0 311.429 3.481 10 0 DGAERO O=C(NCCC1=CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000152258301 432319346 /nfs/dbraw/zinc/31/93/46/432319346.db2.gz JKMVOZAVFLYELX-QGZVFWFLSA-N 1 0 305.466 3.147 10 0 DGAERO CCn1cc([C@H]2C[N@@H+]([C@H](C)CCc3ccccc3)CCO2)cn1 ZINC000248823010 432319622 /nfs/dbraw/zinc/31/96/22/432319622.db2.gz WCKNGTYOXQKYBT-VQIMIIECSA-N 1 0 313.445 3.298 10 0 DGAERO C[C@H]1C[C@H](CC[N@@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)C[C@@H](C)C1 ZINC000248817349 432320664 /nfs/dbraw/zinc/32/06/64/432320664.db2.gz UPZLOENSBNWLEA-VSZNYVQBSA-N 1 0 324.509 3.320 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(-c2ccco2)s1 ZINC000248820685 432320952 /nfs/dbraw/zinc/32/09/52/432320952.db2.gz WRVJVCDGVTZTCU-OLZOCXBDSA-N 1 0 303.431 3.072 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2ccccc2)n1 ZINC000152297409 432321725 /nfs/dbraw/zinc/32/17/25/432321725.db2.gz KEZAMRTYDHALMV-ZWKOTPCHSA-N 1 0 311.429 3.400 10 0 DGAERO c1csc(CN2CCC[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)c1 ZINC000248882100 432325254 /nfs/dbraw/zinc/32/52/54/432325254.db2.gz KZRKEPVJVKQAKF-HZPDHXFCSA-N 1 0 306.475 3.242 10 0 DGAERO O=C1O[C@@H](C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC12CCC2 ZINC000248892575 432326633 /nfs/dbraw/zinc/32/66/33/432326633.db2.gz SKOGMIXLXXMLDG-DOTOQJQBSA-N 1 0 317.404 3.176 10 0 DGAERO CCC1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174187360 432328003 /nfs/dbraw/zinc/32/80/03/432328003.db2.gz HJRZPBFXTVDTDN-CGZBRXJRSA-N 1 0 307.482 3.083 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000152409851 432330242 /nfs/dbraw/zinc/33/02/42/432330242.db2.gz KYFGDEWAHOCVMC-BQFCYCMXSA-N 1 0 310.445 3.038 10 0 DGAERO Cc1cc(Br)ccc1C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000249002091 432332992 /nfs/dbraw/zinc/33/29/92/432332992.db2.gz HNMABCCOWHNCRK-JJLQDPRZSA-N 1 0 312.251 3.491 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000183929701 432335353 /nfs/dbraw/zinc/33/53/53/432335353.db2.gz NLQBTPOEMOMBIU-HNNXBMFYSA-N 1 0 310.388 3.457 10 0 DGAERO CSc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174313159 432336905 /nfs/dbraw/zinc/33/69/05/432336905.db2.gz LZHNXOOBPQDVBF-HIFRSBDPSA-N 1 0 321.490 3.033 10 0 DGAERO CCC(=O)CC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249093625 432337349 /nfs/dbraw/zinc/33/73/49/432337349.db2.gz TULMFMHDRMKWPE-CABCVRRESA-N 1 0 316.228 3.253 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Br)o1 ZINC000249094348 432337894 /nfs/dbraw/zinc/33/78/94/432337894.db2.gz VDQDEZBZYBNVHA-NEPJUHHUSA-N 1 0 313.239 3.101 10 0 DGAERO CC(C)CSCCC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000152561590 432338866 /nfs/dbraw/zinc/33/88/66/432338866.db2.gz LHCPTSBYYPHLCA-UHFFFAOYSA-N 1 0 322.522 3.157 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ncc(C(C)C)s1 ZINC000249117922 432339784 /nfs/dbraw/zinc/33/97/84/432339784.db2.gz WNQRPEBISPCTRO-STQMWFEESA-N 1 0 322.478 3.357 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249272961 432342640 /nfs/dbraw/zinc/34/26/40/432342640.db2.gz BWXXWVIWNWXMRO-OKZBNKHCSA-N 1 0 306.494 3.249 10 0 DGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000249248728 432343649 /nfs/dbraw/zinc/34/36/49/432343649.db2.gz XHFMYIOCXFTCFY-XQQFMLRXSA-N 1 0 310.413 3.178 10 0 DGAERO C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1cccs1 ZINC000249328156 432345868 /nfs/dbraw/zinc/34/58/68/432345868.db2.gz VJGDGDBGAKSANL-ZIAGYGMSSA-N 1 0 309.479 3.373 10 0 DGAERO Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000249428076 432347294 /nfs/dbraw/zinc/34/72/94/432347294.db2.gz GGZXTWJKCIAQJJ-JKSUJKDBSA-N 1 0 306.406 3.461 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000249711094 432355758 /nfs/dbraw/zinc/35/57/58/432355758.db2.gz DUHNXLZHZDDDML-KDOFPFPSSA-N 1 0 316.445 3.089 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000248602689 432304584 /nfs/dbraw/zinc/30/45/84/432304584.db2.gz OHBZDXPKKSUIJK-FOCJUVANSA-N 1 0 324.852 3.063 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000248602693 432305243 /nfs/dbraw/zinc/30/52/43/432305243.db2.gz OHBZDXPKKSUIJK-RSUWNVLCSA-N 1 0 324.852 3.063 10 0 DGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000248602667 432305462 /nfs/dbraw/zinc/30/54/62/432305462.db2.gz AYKTWDLIQXJDBG-GUTXKFCHSA-N 1 0 322.497 3.290 10 0 DGAERO OC[C@H]1C=C[C@@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000183580398 432305635 /nfs/dbraw/zinc/30/56/35/432305635.db2.gz QTBYTGBMONGTIT-IUIKQTSFSA-N 1 0 322.246 3.427 10 0 DGAERO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000248604654 432305801 /nfs/dbraw/zinc/30/58/01/432305801.db2.gz OTULKKJESLHDSN-ZMSDIMECSA-N 1 0 318.461 3.034 10 0 DGAERO CC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)c1ccccc1 ZINC000173911832 432305978 /nfs/dbraw/zinc/30/59/78/432305978.db2.gz XDXYOVKBZZMAKQ-SJORKVTESA-N 1 0 317.477 3.088 10 0 DGAERO C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1c1ccccc1 ZINC000183587238 432306070 /nfs/dbraw/zinc/30/60/70/432306070.db2.gz FCIMYBVQXXPFDB-NVXWUHKLSA-N 1 0 323.440 3.413 10 0 DGAERO COC[C@H]1CCC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000183585504 432307217 /nfs/dbraw/zinc/30/72/17/432307217.db2.gz FIYTZJJPHCWATH-JTQLQIEISA-N 1 0 308.369 3.329 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@@H+]([C@H](C)c3cnccn3)C2)c1 ZINC000248614950 432307307 /nfs/dbraw/zinc/30/73/07/432307307.db2.gz JXQKVFSCKNSTAI-ZIAGYGMSSA-N 1 0 313.401 3.044 10 0 DGAERO C[N@H+](CCNC(=O)CCCc1ccc(F)c(F)c1)C1CCCC1 ZINC000152125824 432307321 /nfs/dbraw/zinc/30/73/21/432307321.db2.gz WMXMLXSHMGJXSH-UHFFFAOYSA-N 1 0 324.415 3.278 10 0 DGAERO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000248626702 432307943 /nfs/dbraw/zinc/30/79/43/432307943.db2.gz PQPOVDIIJMLALE-BBRMVZONSA-N 1 0 313.376 3.414 10 0 DGAERO Cc1nc2ccccc2nc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173932006 432309146 /nfs/dbraw/zinc/30/91/46/432309146.db2.gz ATMJKGRPCVVXAL-SJORKVTESA-N 1 0 324.472 3.385 10 0 DGAERO CC1(C)OCc2cc(C[NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)ccc2O1 ZINC000248690539 432310995 /nfs/dbraw/zinc/31/09/95/432310995.db2.gz ASYSNDGNYNTOHS-LZLYRXPVSA-N 1 0 317.429 3.379 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(F)c(Cl)c2F)C1 ZINC000248717410 432312967 /nfs/dbraw/zinc/31/29/67/432312967.db2.gz GKSDSXGTRFCPSV-JOYOIKCWSA-N 1 0 316.779 3.077 10 0 DGAERO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCC3)CCO2 ZINC000248735390 432315181 /nfs/dbraw/zinc/31/51/81/432315181.db2.gz PNORJRHTPNISSJ-LBRJOISOSA-N 1 0 303.377 3.197 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000192421833 432372397 /nfs/dbraw/zinc/37/23/97/432372397.db2.gz ZYVNCJLEBZVEPK-SECBINFHSA-N 1 0 320.195 3.300 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184258823 432372972 /nfs/dbraw/zinc/37/29/72/432372972.db2.gz LRONCRZZLMIMDG-HUUCEWRRSA-N 1 0 307.401 3.383 10 0 DGAERO COC(=O)C1CCC([NH2+]Cc2nc(C(C)(C)C)cs2)CC1 ZINC000192442008 432374930 /nfs/dbraw/zinc/37/49/30/432374930.db2.gz XXKLCXPYXBDDBP-UHFFFAOYSA-N 1 0 310.463 3.262 10 0 DGAERO Cc1cc(F)cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000153024534 432377261 /nfs/dbraw/zinc/37/72/61/432377261.db2.gz IJYFEZJVUIANIH-UHFFFAOYSA-N 1 0 305.397 3.226 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)CCCc1ccc(F)c(F)c1 ZINC000153025899 432377575 /nfs/dbraw/zinc/37/75/75/432377575.db2.gz MFFDPLMCBQIFSM-CYBMUJFWSA-N 1 0 312.404 3.134 10 0 DGAERO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1N(C)C ZINC000174917350 432379125 /nfs/dbraw/zinc/37/91/25/432379125.db2.gz NGCNBLOHIHNRDD-GDBMZVCRSA-N 1 0 318.465 3.007 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2cccs2)CC[N@@H+]1C ZINC000174931263 432381066 /nfs/dbraw/zinc/38/10/66/432381066.db2.gz OWEVZVSGWFYWEM-UONOGXRCSA-N 1 0 323.506 3.150 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc(F)ccc2o1 ZINC000174960021 432383303 /nfs/dbraw/zinc/38/33/03/432383303.db2.gz LBSAFNAHZDKXTQ-HUUCEWRRSA-N 1 0 316.376 3.271 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000184360091 432383302 /nfs/dbraw/zinc/38/33/02/432383302.db2.gz RHYZNMRZJJXFCL-ZWOKBUDYSA-N 1 0 324.472 3.346 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1ccccc1 ZINC000174988106 432387220 /nfs/dbraw/zinc/38/72/20/432387220.db2.gz SGRAMTWTBPGMPW-ZWKOTPCHSA-N 1 0 300.446 3.095 10 0 DGAERO C[C@H]1CC[C@H](C)N(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000175011349 432388034 /nfs/dbraw/zinc/38/80/34/432388034.db2.gz QXPASAKSLPUYBD-GJZGRUSLSA-N 1 0 303.450 3.078 10 0 DGAERO CC1CC([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000184413489 432388723 /nfs/dbraw/zinc/38/87/23/432388723.db2.gz MJUUQSQJCSKBHY-UHFFFAOYSA-N 1 0 321.222 3.122 10 0 DGAERO CCOc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)ccc1C ZINC000175022455 432390450 /nfs/dbraw/zinc/39/04/50/432390450.db2.gz QVCVKGMPYIPXDX-DLBZAZTESA-N 1 0 316.445 3.093 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2cccs2)n1 ZINC000175045549 432392704 /nfs/dbraw/zinc/39/27/04/432392704.db2.gz WJJDWVWUVNVCNK-LSDHHAIUSA-N 1 0 317.458 3.462 10 0 DGAERO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cc1 ZINC000153269368 432396176 /nfs/dbraw/zinc/39/61/76/432396176.db2.gz AQBPRLZDRVUTTH-IRXDYDNUSA-N 1 0 320.477 3.093 10 0 DGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000153348121 432400586 /nfs/dbraw/zinc/40/05/86/432400586.db2.gz KUGCHVAIALPBGJ-SFHVURJKSA-N 1 0 309.457 3.078 10 0 DGAERO Cc1ccc(C[C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000175147031 432402969 /nfs/dbraw/zinc/40/29/69/432402969.db2.gz RJNGWQNNZSPYCH-GZBFAFLISA-N 1 0 323.506 3.112 10 0 DGAERO C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccnn1C ZINC000192709461 432403764 /nfs/dbraw/zinc/40/37/64/432403764.db2.gz XKABQMNWKPGNEP-VIFPVBQESA-N 1 0 312.186 3.173 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](n2cncn2)C1)c1cccc(Cl)c1 ZINC000249766103 432357697 /nfs/dbraw/zinc/35/76/97/432357697.db2.gz IMCDOFCVHYMNJP-CZUORRHYSA-N 1 0 304.825 3.372 10 0 DGAERO CC[N@H+](CCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1)C1CC1 ZINC000174576987 432358120 /nfs/dbraw/zinc/35/81/20/432358120.db2.gz QXQWXSDVAOXPTF-MRXNPFEDSA-N 1 0 319.449 3.309 10 0 DGAERO OC[C@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1c1ccsc1 ZINC000249783969 432358086 /nfs/dbraw/zinc/35/80/86/432358086.db2.gz DFZVCSNEMRSBNP-HZPDHXFCSA-N 1 0 305.418 3.138 10 0 DGAERO Cc1ccc(CNCc2cocn2)c(OCC(F)(F)F)c1 ZINC000192324258 432360202 /nfs/dbraw/zinc/36/02/02/432360202.db2.gz ONIFCQOMBZRJAU-UHFFFAOYSA-N 1 0 300.280 3.214 10 0 DGAERO C[C@H](C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000249984055 432361658 /nfs/dbraw/zinc/36/16/58/432361658.db2.gz YZKCQGJDQXNDNT-CVEARBPZSA-N 1 0 322.880 3.098 10 0 DGAERO CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174679462 432364271 /nfs/dbraw/zinc/36/42/71/432364271.db2.gz KXIBGWRZNXVHPE-VQHPVUNQSA-N 1 0 309.498 3.469 10 0 DGAERO C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192361644 432365026 /nfs/dbraw/zinc/36/50/26/432365026.db2.gz RCRGUPQKFNBZNI-KBRIMQKVSA-N 1 0 316.445 3.054 10 0 DGAERO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192367945 432365701 /nfs/dbraw/zinc/36/57/01/432365701.db2.gz MDNYYNUYAFDGKB-RHSMWYFYSA-N 1 0 318.461 3.252 10 0 DGAERO C[C@H](C(=O)N1Cc2ccccc2C2(CC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000251497290 432368865 /nfs/dbraw/zinc/36/88/65/432368865.db2.gz DQGFLAIJPAOVAL-BZUAXINKSA-N 1 0 312.457 3.322 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ncc(C(C)C)s2)[C@H](C)C1 ZINC000192391258 432368817 /nfs/dbraw/zinc/36/88/17/432368817.db2.gz SHVAOPXRVLKTGY-CHWSQXEVSA-N 1 0 324.494 3.461 10 0 DGAERO C[C@@H](c1cc(Cl)ccc1Cl)N1CCO[C@H](C[NH+](C)C)C1 ZINC000152943217 432369883 /nfs/dbraw/zinc/36/98/83/432369883.db2.gz DJQABZMZDJQTAL-WCQYABFASA-N 1 0 317.260 3.317 10 0 DGAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1cc(Br)c(Br)o1 ZINC000251686223 432370530 /nfs/dbraw/zinc/37/05/30/432370530.db2.gz WDQUTQGJDZBGCS-KVQBGUIXSA-N 1 0 309.001 3.255 10 0 DGAERO CSCc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000184750561 432429502 /nfs/dbraw/zinc/42/95/02/432429502.db2.gz OCPYTPGZZCFFRB-OAHLLOKOSA-N 1 0 319.474 3.252 10 0 DGAERO CC(C)[NH+]1CCC(NCc2nc3ccccc3n2C2CC2)CC1 ZINC000184776992 432432059 /nfs/dbraw/zinc/43/20/59/432432059.db2.gz VKTZRSLPCQYVNE-UHFFFAOYSA-N 1 0 312.461 3.334 10 0 DGAERO Cc1cc(CN2CC[NH2+]C[C@H]2c2cccnc2)ccc1Cl ZINC000261605975 432432180 /nfs/dbraw/zinc/43/21/80/432432180.db2.gz BCWJFJZUCVLMIZ-KRWDZBQOSA-N 1 0 301.821 3.190 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261598853 432432923 /nfs/dbraw/zinc/43/29/23/432432923.db2.gz AYTRHNRCXLYFLS-NXHRZFHOSA-N 1 0 300.446 3.264 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c3cc(F)ccc23)C1 ZINC000192963176 432433559 /nfs/dbraw/zinc/43/35/59/432433559.db2.gz VILYXKMPEXOZBR-ZDUSSCGKSA-N 1 0 317.408 3.111 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1(C)C ZINC000153708286 432434793 /nfs/dbraw/zinc/43/47/93/432434793.db2.gz RQAITEPSZGNDDX-IAOVAPTHSA-N 1 0 314.433 3.122 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000175425103 432435282 /nfs/dbraw/zinc/43/52/82/432435282.db2.gz RQIGXNGQJQCCBW-XLIONFOSSA-N 1 0 324.468 3.127 10 0 DGAERO CCc1cc(C)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000153724588 432435407 /nfs/dbraw/zinc/43/54/07/432435407.db2.gz JIPRYUCBWIFSRU-PBHICJAKSA-N 1 0 316.445 3.239 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2ccccc2c1O ZINC000175436155 432435806 /nfs/dbraw/zinc/43/58/06/432435806.db2.gz TXSDGDKCFFBNNV-HZPDHXFCSA-N 1 0 324.424 3.244 10 0 DGAERO COC1(c2nc(-c3cccc4ccccc43)no2)CC[NH2+]CC1 ZINC000261644591 432436437 /nfs/dbraw/zinc/43/64/37/432436437.db2.gz FCLPEOKBZYWTLY-UHFFFAOYSA-N 1 0 309.369 3.115 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000192994714 432437230 /nfs/dbraw/zinc/43/72/30/432437230.db2.gz ULVWEOUSRUTLME-UHFFFAOYSA-N 1 0 316.430 3.086 10 0 DGAERO COc1ccc([C@H](C)NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000261658361 432439599 /nfs/dbraw/zinc/43/95/99/432439599.db2.gz FXNMWNCQUXRDPP-YDHLFZDLSA-N 1 0 322.424 3.037 10 0 DGAERO c1cc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)cc2c1OCC2 ZINC000261677401 432440785 /nfs/dbraw/zinc/44/07/85/432440785.db2.gz ABFNFUBSOOBIOH-GLQYFDAESA-N 1 0 311.385 3.265 10 0 DGAERO COc1cc([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)ccc1F ZINC000153770799 432441741 /nfs/dbraw/zinc/44/17/41/432441741.db2.gz GJDIFZDZFXYWAT-ZDUSSCGKSA-N 1 0 322.424 3.134 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(C)c(OC)c1C ZINC000193034970 432442709 /nfs/dbraw/zinc/44/27/09/432442709.db2.gz JHUHPROCVRFPHZ-ZDUSSCGKSA-N 1 0 307.438 3.164 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000184894208 432443343 /nfs/dbraw/zinc/44/33/43/432443343.db2.gz GZFXVWKYOGJDLP-HZPDHXFCSA-N 1 0 317.477 3.405 10 0 DGAERO c1ccc2cc(CCN3CC[NH2+]C[C@@H]3c3cccnc3)ccc2c1 ZINC000261711284 432443614 /nfs/dbraw/zinc/44/36/14/432443614.db2.gz KLZUYZXFPHXZSV-OAQYLSRUSA-N 1 0 317.436 3.424 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000175525031 432444499 /nfs/dbraw/zinc/44/44/99/432444499.db2.gz WUFDJHOBAZDKMO-IXDOHACOSA-N 1 0 309.498 3.471 10 0 DGAERO CCCN(Cc1ncc(C(F)(F)F)s1)C1CC[NH2+]CC1 ZINC000261753546 432445900 /nfs/dbraw/zinc/44/59/00/432445900.db2.gz CIJCKCBGEBMRCQ-UHFFFAOYSA-N 1 0 307.385 3.126 10 0 DGAERO C[N@H+](CCCOCC(F)(F)F)Cc1nc2c(s1)CCCC2 ZINC000175548648 432447942 /nfs/dbraw/zinc/44/79/42/432447942.db2.gz MRAOYOZUXBJVAE-UHFFFAOYSA-N 1 0 322.396 3.423 10 0 DGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[C@H]1C(C)C ZINC000184952321 432449731 /nfs/dbraw/zinc/44/97/31/432449731.db2.gz GQDFWFVZJXNZIQ-ROUUACIJSA-N 1 0 302.462 3.437 10 0 DGAERO CCOC(C[NH+]1CCC(Oc2ccc(F)cc2)CC1)OCC ZINC000184971980 432450538 /nfs/dbraw/zinc/45/05/38/432450538.db2.gz BMHAIZXSPMUMFE-UHFFFAOYSA-N 1 0 311.397 3.068 10 0 DGAERO FC(F)(F)c1cnc(CN2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000261785960 432451132 /nfs/dbraw/zinc/45/11/32/432451132.db2.gz FVFGXWNLQTUIQL-LLVKDONJSA-N 1 0 319.396 3.126 10 0 DGAERO [NH3+]CC[C@H]1CCCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000261822032 432453126 /nfs/dbraw/zinc/45/31/26/432453126.db2.gz AUPRFPRWLCWKPZ-MRXNPFEDSA-N 1 0 303.381 3.184 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2scnc2C2CCCC2)CC[N@@H+]1C ZINC000184976736 432453141 /nfs/dbraw/zinc/45/31/41/432453141.db2.gz IDHLPPFZUHFAME-GXTWGEPZSA-N 1 0 321.490 3.355 10 0 DGAERO CC(=O)N[C@H]1CCC[N@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000153895573 432454109 /nfs/dbraw/zinc/45/41/09/432454109.db2.gz KKGMZISEBUVSAN-INIZCTEOSA-N 1 0 300.402 3.150 10 0 DGAERO CC(C)(C)c1nc(CN(CC[NH3+])CCc2ccccc2)cs1 ZINC000261831063 432454585 /nfs/dbraw/zinc/45/45/85/432454585.db2.gz VMVACJGFLQNJLB-UHFFFAOYSA-N 1 0 317.502 3.444 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193205399 432457787 /nfs/dbraw/zinc/45/77/87/432457787.db2.gz LDJXAISIAOVKCO-CYGHRXIMSA-N 1 0 321.509 3.231 10 0 DGAERO CC(C)c1cc(-c2nc(C3([NH3+])CCC3)no2)nn1C(C)(C)C ZINC000261894524 432458288 /nfs/dbraw/zinc/45/82/88/432458288.db2.gz XUXZLKQRJJESEZ-UHFFFAOYSA-N 1 0 303.410 3.149 10 0 DGAERO CC1CC[NH+](CCNC(=O)C/C=C\c2ccc(F)cc2)CC1 ZINC000255560053 432411529 /nfs/dbraw/zinc/41/15/29/432411529.db2.gz SEVZEKREEYJBLN-IHWYPQMZSA-N 1 0 304.409 3.077 10 0 DGAERO CCN(C(=O)NCC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184608407 432411956 /nfs/dbraw/zinc/41/19/56/432411956.db2.gz MYBXSPPSLDUOTG-QGZVFWFLSA-N 1 0 317.477 3.339 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C/C=C\c3cccc(F)c3)CC[C@H]21 ZINC000255597059 432412912 /nfs/dbraw/zinc/41/29/12/432412912.db2.gz IXBCUCGBULLITN-CDITXYPMSA-N 1 0 316.420 3.172 10 0 DGAERO CCSc1ccc([C@H](C)NCc2nc(N(C)C)no2)cc1 ZINC000192782107 432413519 /nfs/dbraw/zinc/41/35/19/432413519.db2.gz WKYMGULPPLMKHQ-NSHDSACASA-N 1 0 306.435 3.098 10 0 DGAERO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)C2CCCC2)C2CC2)o1 ZINC000184641505 432416297 /nfs/dbraw/zinc/41/62/97/432416297.db2.gz YTZHLLMPVCBQSA-AWEZNQCLSA-N 1 0 304.434 3.247 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000192840415 432420974 /nfs/dbraw/zinc/42/09/74/432420974.db2.gz CAQMHEYNBAIUJI-MRXNPFEDSA-N 1 0 318.486 3.460 10 0 DGAERO CC[C@H](C)Oc1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262043481 432471677 /nfs/dbraw/zinc/47/16/77/432471677.db2.gz YULLLDQRDIKQQE-FZDIXFNVSA-N 1 0 318.461 3.433 10 0 DGAERO Fc1ccccc1OCc1noc([C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000262093980 432473423 /nfs/dbraw/zinc/47/34/23/432473423.db2.gz VAXRVMRMLYACSO-XBFCOCLRSA-N 1 0 317.364 3.381 10 0 DGAERO Cc1ccc(CCC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000193445461 432473590 /nfs/dbraw/zinc/47/35/90/432473590.db2.gz LJUVZNQYXJGUOP-UHFFFAOYSA-N 1 0 302.462 3.307 10 0 DGAERO CC1(C)C(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)C1(C)C ZINC000262070263 432473945 /nfs/dbraw/zinc/47/39/45/432473945.db2.gz PCRMTKBGOLJEKO-UHFFFAOYSA-N 1 0 307.463 3.231 10 0 DGAERO CN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262092334 432474175 /nfs/dbraw/zinc/47/41/75/432474175.db2.gz YPNAYNXDPMAEOI-YJLGBITFSA-N 1 0 324.468 3.022 10 0 DGAERO c1ccc2c(c1)-c1ccccc1C2[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185178414 432474372 /nfs/dbraw/zinc/47/43/72/432474372.db2.gz YBBHLLMWXWGVLC-HXUWFJFHSA-N 1 0 307.393 3.248 10 0 DGAERO CCc1oc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1C ZINC000154143658 432477015 /nfs/dbraw/zinc/47/70/15/432477015.db2.gz USAHMOXEDSWART-HNNXBMFYSA-N 1 0 304.434 3.241 10 0 DGAERO Cc1ccccc1CCCN1CCO[C@H](c2nccs2)C1 ZINC000175907485 432477387 /nfs/dbraw/zinc/47/73/87/432477387.db2.gz NNOGNWIKZBHVNB-INIZCTEOSA-N 1 0 302.443 3.458 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)ccc1F ZINC000154145478 432477647 /nfs/dbraw/zinc/47/76/47/432477647.db2.gz VRBFIZYJOMMYBI-XJKSGUPXSA-N 1 0 303.377 3.261 10 0 DGAERO CC(C)(CNC1=[NH+]CCCN1)c1c(Cl)cccc1Cl ZINC000262303617 432479334 /nfs/dbraw/zinc/47/93/34/432479334.db2.gz BXSKIIRSIPSGCP-UHFFFAOYSA-N 1 0 300.233 3.210 10 0 DGAERO COc1ccc(C[C@H](C)C[NH+]2CCC([C@H](C)O)CC2)cc1F ZINC000185245026 432483439 /nfs/dbraw/zinc/48/34/39/432483439.db2.gz HTGLPUSBZIQQSI-KBPBESRZSA-N 1 0 309.425 3.106 10 0 DGAERO C[C@H]1C[C@@H](C(=O)NC2(c3ccc(F)cc3)CCCC2)CC[NH2+]1 ZINC000262347003 432483631 /nfs/dbraw/zinc/48/36/31/432483631.db2.gz HWVCNENSMMDVRY-KBPBESRZSA-N 1 0 304.409 3.099 10 0 DGAERO C[C@@](CO)([NH2+]Cc1cnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000175998069 432485581 /nfs/dbraw/zinc/48/55/81/432485581.db2.gz SRESFPSWLSIPGS-IBGZPJMESA-N 1 0 313.445 3.498 10 0 DGAERO CCC1(CC)C[N@H+](CCCc2cccc(OC)c2)CC[S@@]1=O ZINC000185283336 432486329 /nfs/dbraw/zinc/48/63/29/432486329.db2.gz BGNHBVPIKYWMMZ-QFIPXVFZSA-N 1 0 323.502 3.251 10 0 DGAERO CC(=O)Nc1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000262484484 432488474 /nfs/dbraw/zinc/48/84/74/432488474.db2.gz KFYMYTYLOLMYEU-AWEZNQCLSA-N 1 0 323.824 3.015 10 0 DGAERO C[C@H](C[NH3+])C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262547076 432489894 /nfs/dbraw/zinc/48/98/94/432489894.db2.gz ODTKLOLUMUYOKG-RISCZKNCSA-N 1 0 314.351 3.354 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2noc(C3CCCCC3)n2)CC[N@@H+]1C ZINC000154295015 432490174 /nfs/dbraw/zinc/49/01/74/432490174.db2.gz YLUOGLDIPXVMHW-DZGCQCFKSA-N 1 0 306.454 3.032 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000185323532 432490334 /nfs/dbraw/zinc/49/03/34/432490334.db2.gz UHYMSXZHOLYOSV-AWEZNQCLSA-N 1 0 324.371 3.459 10 0 DGAERO C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1cc2ccccc2o1 ZINC000262555258 432491941 /nfs/dbraw/zinc/49/19/41/432491941.db2.gz UBQLNUMGZQKDMR-BLLLJJGKSA-N 1 0 300.402 3.388 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000185352998 432494677 /nfs/dbraw/zinc/49/46/77/432494677.db2.gz QEOGUHOPRYBWKL-CQSZACIVSA-N 1 0 323.824 3.229 10 0 DGAERO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000262611692 432494820 /nfs/dbraw/zinc/49/48/20/432494820.db2.gz XBUFTXBVZVHEQW-BBWFWOEESA-N 1 0 320.864 3.467 10 0 DGAERO C[C@@H]1CCC[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193746669 432495325 /nfs/dbraw/zinc/49/53/25/432495325.db2.gz SIQHGBYRSWZXMS-AEFFLSMTSA-N 1 0 321.509 3.330 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(C(F)F)cc1 ZINC000185405321 432497324 /nfs/dbraw/zinc/49/73/24/432497324.db2.gz MEJBHJZTGGYKSH-UHFFFAOYSA-N 1 0 305.328 3.015 10 0 DGAERO CC(=O)c1cccc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000154412259 432497815 /nfs/dbraw/zinc/49/78/15/432497815.db2.gz AGYWAIOQXCKXBQ-QGZVFWFLSA-N 1 0 317.433 3.131 10 0 DGAERO CCCCc1nc2cc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)ccc2[nH]1 ZINC000262681645 432498373 /nfs/dbraw/zinc/49/83/73/432498373.db2.gz WDIXAFWTODQKQN-CHWSQXEVSA-N 1 0 314.433 3.362 10 0 DGAERO C[C@@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC000185439935 432500341 /nfs/dbraw/zinc/50/03/41/432500341.db2.gz UZHXHQWBCKDEPY-WBMJQRKESA-N 1 0 305.809 3.183 10 0 DGAERO Fc1ccc(Oc2ccc(CCNC3=[NH+]CCCN3)cc2)cc1 ZINC000262773586 432500716 /nfs/dbraw/zinc/50/07/16/432500716.db2.gz IJZORFAZHBAUTL-UHFFFAOYSA-N 1 0 313.376 3.099 10 0 DGAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000262928545 432508403 /nfs/dbraw/zinc/50/84/03/432508403.db2.gz HPHKIXXRLGBRIA-YJBOKZPZSA-N 1 0 317.433 3.127 10 0 DGAERO CCS(=O)(=O)C1CC[NH+](CCC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000193251596 432460091 /nfs/dbraw/zinc/46/00/91/432460091.db2.gz CLYDBOSEDHTIMW-HUUCEWRRSA-N 1 0 315.523 3.348 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)cc1F ZINC000185055715 432460305 /nfs/dbraw/zinc/46/03/05/432460305.db2.gz ZHCPYOQMVQABRJ-GFCCVEGCSA-N 1 0 314.364 3.373 10 0 DGAERO CCCn1cc(CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cn1 ZINC000261913427 432460500 /nfs/dbraw/zinc/46/05/00/432460500.db2.gz XWNWZNCWNKZZNZ-KRWDZBQOSA-N 1 0 318.852 3.093 10 0 DGAERO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@H]2C(C)C)c1 ZINC000185045137 432460759 /nfs/dbraw/zinc/46/07/59/432460759.db2.gz LIVVHBIQPYHVSD-ROUUACIJSA-N 1 0 302.462 3.437 10 0 DGAERO c1c2ccccc2sc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261920628 432461643 /nfs/dbraw/zinc/46/16/43/432461643.db2.gz KFTYZSFJUFXXCY-ZACQAIPSSA-N 1 0 316.470 3.148 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(-c2cccs2)on1 ZINC000193268221 432461908 /nfs/dbraw/zinc/46/19/08/432461908.db2.gz CZWVMIZZZNAEGB-GFCCVEGCSA-N 1 0 321.446 3.109 10 0 DGAERO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000185078003 432463217 /nfs/dbraw/zinc/46/32/17/432463217.db2.gz IGIZIFMWYUYARB-GDBMZVCRSA-N 1 0 321.440 3.116 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cnc(N)s2)c1 ZINC000261976535 432466347 /nfs/dbraw/zinc/46/63/47/432466347.db2.gz IVOZHBGXOCWYMV-AWEZNQCLSA-N 1 0 319.430 3.080 10 0 DGAERO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000262013198 432467667 /nfs/dbraw/zinc/46/76/67/432467667.db2.gz VTBDDYUVWYEMDA-GUDVDZBRSA-N 1 0 316.489 3.019 10 0 DGAERO CCc1nnc(C[NH2+][C@H](C)C2(c3ccccc3)CCCC2)n1C ZINC000185954627 432548979 /nfs/dbraw/zinc/54/89/79/432548979.db2.gz YBFDWKVOYFDFDF-OAHLLOKOSA-N 1 0 312.461 3.368 10 0 DGAERO C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000185988366 432552190 /nfs/dbraw/zinc/55/21/90/432552190.db2.gz MKJOFAJIBBTMJH-KLICCBINSA-N 1 0 300.446 3.374 10 0 DGAERO Cc1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(C)n1 ZINC000176779461 432552870 /nfs/dbraw/zinc/55/28/70/432552870.db2.gz FGIYYYATQBSXJB-QGZVFWFLSA-N 1 0 312.417 3.123 10 0 DGAERO CCc1cccc(NC(=O)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000176790374 432554375 /nfs/dbraw/zinc/55/43/75/432554375.db2.gz UYMCGCHUILDOCP-KRWDZBQOSA-N 1 0 312.417 3.450 10 0 DGAERO Cn1c(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)nnc1C1CC1 ZINC000186039741 432554875 /nfs/dbraw/zinc/55/48/75/432554875.db2.gz MYHMGQXIKUFTCH-IBGZPJMESA-N 1 0 310.445 3.290 10 0 DGAERO C[C@@H]1CC[C@H](C)CN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000176816393 432555503 /nfs/dbraw/zinc/55/55/03/432555503.db2.gz DTOZWDPLOQRRJU-UONOGXRCSA-N 1 0 321.440 3.217 10 0 DGAERO Cc1ccc2nc(C3CC3)cc(C(=O)NC[C@@H]3CCC[N@H+]3C)c2c1 ZINC000176829366 432556813 /nfs/dbraw/zinc/55/68/13/432556813.db2.gz BUYVTHINBLJENY-HNNXBMFYSA-N 1 0 323.440 3.245 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1oc(-c2ccccc2)nc1C ZINC000155484644 432557751 /nfs/dbraw/zinc/55/77/51/432557751.db2.gz ZTHUULARBHWKNS-ZDUSSCGKSA-N 1 0 315.417 3.110 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000176850972 432558485 /nfs/dbraw/zinc/55/84/85/432558485.db2.gz SNWMRQSZUGPGKN-LLVKDONJSA-N 1 0 318.314 3.059 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+]C[C@H](O)c1ccccc1OC ZINC000186120043 432560407 /nfs/dbraw/zinc/56/04/07/432560407.db2.gz ONMVVFHHLMZAGI-YPMHNXCESA-N 1 0 307.415 3.150 10 0 DGAERO CCn1c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)nc2cc(F)ccc21 ZINC000155562676 432560894 /nfs/dbraw/zinc/56/08/94/432560894.db2.gz WHLYBOMRZVZAPR-DYVFJYSZSA-N 1 0 317.408 3.196 10 0 DGAERO CC[C@H](Oc1ccccc1C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000176869963 432561709 /nfs/dbraw/zinc/56/17/09/432561709.db2.gz RONCXVVEEQSDPT-IKGGRYGDSA-N 1 0 318.461 3.094 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000194634721 432564116 /nfs/dbraw/zinc/56/41/16/432564116.db2.gz MIURGBVOBBHGCA-HNNXBMFYSA-N 1 0 316.376 3.300 10 0 DGAERO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(Cl)cc1Cl ZINC000155633854 432564304 /nfs/dbraw/zinc/56/43/04/432564304.db2.gz AUDUCTAMUBHLPA-AOOOYVTPSA-N 1 0 301.217 3.158 10 0 DGAERO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)cc1F ZINC000154917868 432529087 /nfs/dbraw/zinc/52/90/87/432529087.db2.gz SOHQYYFCFATPSK-WBMJQRKESA-N 1 0 324.827 3.344 10 0 DGAERO Cc1cc(NC2CC[NH+](C(C)C)CC2)nc(-c2cccnc2)n1 ZINC000194199726 432531100 /nfs/dbraw/zinc/53/11/00/432531100.db2.gz NZCVVNLFAMGHEW-UHFFFAOYSA-N 1 0 311.433 3.132 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1c2ccccc2C[C@@H]1C ZINC000194195076 432531167 /nfs/dbraw/zinc/53/11/67/432531167.db2.gz HNQSLJUDQRCQKT-GOEBONIOSA-N 1 0 303.450 3.124 10 0 DGAERO CC(C)NC(=O)CC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185789834 432533901 /nfs/dbraw/zinc/53/39/01/432533901.db2.gz DZKJJTSDEPFUSC-UHFFFAOYSA-N 1 0 308.853 3.434 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000194240891 432534660 /nfs/dbraw/zinc/53/46/60/432534660.db2.gz VWMZAZODOFSBJH-PBHICJAKSA-N 1 0 312.417 3.116 10 0 DGAERO C[C@@H](CNC(=O)Nc1ccc2cc[nH]c2c1)C[NH+]1CCCC1 ZINC000194266637 432535889 /nfs/dbraw/zinc/53/58/89/432535889.db2.gz HCESHEIRSYEBKU-ZDUSSCGKSA-N 1 0 300.406 3.021 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000194306559 432540262 /nfs/dbraw/zinc/54/02/62/432540262.db2.gz NSDKIWWHQDFNIZ-CQSZACIVSA-N 1 0 314.433 3.364 10 0 DGAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000155193569 432544050 /nfs/dbraw/zinc/54/40/50/432544050.db2.gz YLHFNQHLIIMFHI-OALUTQOASA-N 1 0 306.409 3.323 10 0 DGAERO C[C@@H](C[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000194384379 432545927 /nfs/dbraw/zinc/54/59/27/432545927.db2.gz GKRVEOQIFAPQJI-QFBILLFUSA-N 1 0 310.441 3.079 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000176722248 432546342 /nfs/dbraw/zinc/54/63/42/432546342.db2.gz DJHKTSWJEAOZGV-RBSFLKMASA-N 1 0 306.454 3.163 10 0 DGAERO C[C@H](CC[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000194384342 432546566 /nfs/dbraw/zinc/54/65/66/432546566.db2.gz MDFOFVCYEFXPKY-YLJYHZDGSA-N 1 0 324.468 3.469 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1)[NH+](C)C ZINC000156923332 432609602 /nfs/dbraw/zinc/60/96/02/432609602.db2.gz LZIDHMFNTMJTGQ-OAHLLOKOSA-N 1 0 320.824 3.195 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1-n1cccn1 ZINC000177305453 432611162 /nfs/dbraw/zinc/61/11/62/432611162.db2.gz ATJIVMBEWXHKKL-FUHWJXTLSA-N 1 0 321.424 3.127 10 0 DGAERO Cc1cc(C)n([C@H](C)C(=O)Nc2cc(C[NH+](C)C)ccc2C)n1 ZINC000177326307 432612745 /nfs/dbraw/zinc/61/27/45/432612745.db2.gz XBADMHPTTWKBHA-OAHLLOKOSA-N 1 0 314.433 3.070 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccc(Cl)cc3[nH]2)C1 ZINC000194656354 432565818 /nfs/dbraw/zinc/56/58/18/432565818.db2.gz RTHQSSZWAIABEZ-CYBMUJFWSA-N 1 0 305.809 3.035 10 0 DGAERO C[NH+](C)CC1(CNC(=O)C/C=C/c2ccc(F)cc2)CCCC1 ZINC000186184896 432566413 /nfs/dbraw/zinc/56/64/13/432566413.db2.gz IZSSWPPFHSZBEK-AATRIKPKSA-N 1 0 318.436 3.467 10 0 DGAERO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000177376517 432616871 /nfs/dbraw/zinc/61/68/71/432616871.db2.gz JKYONCJGUWRQTQ-CHWSQXEVSA-N 1 0 301.434 3.327 10 0 DGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@@]2(C)CCCc3ccccc32)c1 ZINC000176933016 432567385 /nfs/dbraw/zinc/56/73/85/432567385.db2.gz OWTONDWVTHPCML-FQEVSTJZSA-N 1 0 323.440 3.376 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000176973114 432570721 /nfs/dbraw/zinc/57/07/21/432570721.db2.gz BQIWJDZJECCYTN-IIAWOOMASA-N 1 0 322.399 3.011 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCOC[C@@H]1C ZINC000194727882 432572396 /nfs/dbraw/zinc/57/23/96/432572396.db2.gz PKAZQHPRBFHSOJ-DOTOQJQBSA-N 1 0 316.445 3.202 10 0 DGAERO FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000176983502 432572929 /nfs/dbraw/zinc/57/29/29/432572929.db2.gz KECBWCJLDJJNHZ-CYBMUJFWSA-N 1 0 310.323 3.042 10 0 DGAERO C[C@H]1CSCC[N@@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000176999958 432573985 /nfs/dbraw/zinc/57/39/85/432573985.db2.gz OEGCUGPUOLQJIJ-LBPRGKRZSA-N 1 0 310.488 3.398 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccnc2ccccc12 ZINC000177024630 432576725 /nfs/dbraw/zinc/57/67/25/432576725.db2.gz VQSIGBLQYGNGLW-DVQDXYAYSA-N 1 0 323.440 3.191 10 0 DGAERO c1cc2c(ncnc2NCc2ccc(C[NH+]3CCCC3)cc2)[nH]1 ZINC000263794586 432577632 /nfs/dbraw/zinc/57/76/32/432577632.db2.gz OMWMYJMPXHNTIX-UHFFFAOYSA-N 1 0 307.401 3.166 10 0 DGAERO Cc1cc(C)c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1 ZINC000177084593 432583595 /nfs/dbraw/zinc/58/35/95/432583595.db2.gz AIDQSYUBGQOEMF-JKSUJKDBSA-N 1 0 301.434 3.312 10 0 DGAERO Cc1cccc(NC(=O)C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1 ZINC000186349427 432585065 /nfs/dbraw/zinc/58/50/65/432585065.db2.gz CGROKGWPZHUIRG-IRXDYDNUSA-N 1 0 304.434 3.117 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1Cl ZINC000177089540 432585214 /nfs/dbraw/zinc/58/52/14/432585214.db2.gz CMMXHUAWTRXPDF-ZYHUDNBSSA-N 1 0 311.788 3.180 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000177086498 432585318 /nfs/dbraw/zinc/58/53/18/432585318.db2.gz GSPVAWVXBSGEKQ-GXTWGEPZSA-N 1 0 307.825 3.349 10 0 DGAERO Cn1c2ccc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)cc2sc1=O ZINC000195022973 432594098 /nfs/dbraw/zinc/59/40/98/432594098.db2.gz FUZCJYVYWUVXLT-KBPBESRZSA-N 1 0 302.443 3.222 10 0 DGAERO Cc1ccc(CCCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195054137 432597515 /nfs/dbraw/zinc/59/75/15/432597515.db2.gz RXBYCXLEDJJUHU-GOSISDBHSA-N 1 0 300.446 3.014 10 0 DGAERO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000156649573 432602595 /nfs/dbraw/zinc/60/25/95/432602595.db2.gz NDPJMYSYTUSSBT-HOTGVXAUSA-N 1 0 318.461 3.373 10 0 DGAERO CCC[C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000195093307 432602719 /nfs/dbraw/zinc/60/27/19/432602719.db2.gz JBZXSJRPWNVWEY-MSOLQXFVSA-N 1 0 300.446 3.267 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]1C ZINC000156671011 432604176 /nfs/dbraw/zinc/60/41/76/432604176.db2.gz XBYDIMWYOVKOPG-AXRJEEMOSA-N 1 0 309.498 3.231 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)CCCc1ccccc1 ZINC000186665121 432619016 /nfs/dbraw/zinc/61/90/16/432619016.db2.gz DWGSEEWLCFITLH-RDJZCZTQSA-N 1 0 302.462 3.150 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000177379347 432619317 /nfs/dbraw/zinc/61/93/17/432619317.db2.gz ACCQXEUWEHFXGS-RDJZCZTQSA-N 1 0 303.450 3.182 10 0 DGAERO CCCCCNC(=O)C1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000186660263 432620034 /nfs/dbraw/zinc/62/00/34/432620034.db2.gz CLKKNYUCLJQJKK-UHFFFAOYSA-N 1 0 317.477 3.217 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000186685028 432622136 /nfs/dbraw/zinc/62/21/36/432622136.db2.gz GFUJSIUMBNUNBX-CZUORRHYSA-N 1 0 320.864 3.266 10 0 DGAERO Cc1cnc(CCN(C)[C@H](C)C(=O)NCC2CCCCC2)s1 ZINC000157518286 432623016 /nfs/dbraw/zinc/62/30/16/432623016.db2.gz DUHSOYUXXSIKDF-CQSZACIVSA-N 1 0 323.506 3.011 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000177451068 432624807 /nfs/dbraw/zinc/62/48/07/432624807.db2.gz LFUACXCKMIEFIC-VQIMIIECSA-N 1 0 308.425 3.008 10 0 DGAERO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCCc4ccccc43)C2)cn1 ZINC000177459565 432626293 /nfs/dbraw/zinc/62/62/93/432626293.db2.gz QGBFKUUWUJUQDM-FXAWDEMLSA-N 1 0 324.472 3.446 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(CC)s2)CC1 ZINC000157761575 432627818 /nfs/dbraw/zinc/62/78/18/432627818.db2.gz PZVMGPZNGOTPTR-UHFFFAOYSA-N 1 0 323.506 3.232 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C)c3ccccc32)CC1 ZINC000157777043 432627840 /nfs/dbraw/zinc/62/78/40/432627840.db2.gz JNTYXJQIUZKHON-OAHLLOKOSA-N 1 0 315.461 3.442 10 0 DGAERO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186769275 432628119 /nfs/dbraw/zinc/62/81/19/432628119.db2.gz AKFVCWSQTYVFPD-LSDHHAIUSA-N 1 0 318.461 3.231 10 0 DGAERO CCc1oc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1C ZINC000157912932 432633180 /nfs/dbraw/zinc/63/31/80/432633180.db2.gz YVVHBMASNCAPDN-GFCCVEGCSA-N 1 0 306.431 3.245 10 0 DGAERO CCC[C@H](C)C[NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000157958932 432634707 /nfs/dbraw/zinc/63/47/07/432634707.db2.gz NZOLMJRCILSVTI-LPHOPBHVSA-N 1 0 320.477 3.094 10 0 DGAERO CCc1cccc(CC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000158180364 432639569 /nfs/dbraw/zinc/63/95/69/432639569.db2.gz IUUKKRHYKWTPKO-QGZVFWFLSA-N 1 0 316.489 3.420 10 0 DGAERO O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000212703936 432641201 /nfs/dbraw/zinc/64/12/01/432641201.db2.gz BYYZLENPNKJEHB-DOMZBBRYSA-N 1 0 310.800 3.083 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)[C@@H]1CCCO1 ZINC000186994769 432641376 /nfs/dbraw/zinc/64/13/76/432641376.db2.gz XGXRLFMQASLZRI-PTRXPTGYSA-N 1 0 317.202 3.201 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(OC(C)C)cc3)[C@H]2C1 ZINC000158367498 432643693 /nfs/dbraw/zinc/64/36/93/432643693.db2.gz KMQZPPZEQYAEFL-CEXWTWQISA-N 1 0 319.445 3.242 10 0 DGAERO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190967646 282001950 /nfs/dbraw/zinc/00/19/50/282001950.db2.gz SLVWEUBNKGJMSU-AWEZNQCLSA-N 1 0 310.482 3.103 10 0 DGAERO Cc1nc2ccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)cc2s1 ZINC000236004604 282068916 /nfs/dbraw/zinc/06/89/16/282068916.db2.gz OEKAOLXUUDDHGV-AWEZNQCLSA-N 1 0 303.431 3.321 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000177713823 432654508 /nfs/dbraw/zinc/65/45/08/432654508.db2.gz ONZBQEOPEABJKK-KRWDZBQOSA-N 1 0 314.408 3.304 10 0 DGAERO Cc1ccc([C@@H]([NH2+]C[C@@]2(CCO)CCOC2)C2CCC2)cc1 ZINC000187306908 432656642 /nfs/dbraw/zinc/65/66/42/432656642.db2.gz JPYOJYIKIFSPSF-RBUKOAKNSA-N 1 0 303.446 3.215 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1Br ZINC000218114847 432657504 /nfs/dbraw/zinc/65/75/04/432657504.db2.gz BTLXPPNNPWVDAD-UKRRQHHQSA-N 1 0 312.251 3.398 10 0 DGAERO Cc1cnn(CC[NH2+]Cc2ccc(Br)c(C)c2)c1 ZINC000219386567 432662072 /nfs/dbraw/zinc/66/20/72/432662072.db2.gz SOULEPKKSQPQLW-UHFFFAOYSA-N 1 0 308.223 3.052 10 0 DGAERO O=C(Nc1ncc([C@@H]2CCC[NH2+]C2)s1)Nc1ccccc1 ZINC000219199754 432662136 /nfs/dbraw/zinc/66/21/36/432662136.db2.gz HVBTZZCQZVHVAZ-LLVKDONJSA-N 1 0 302.403 3.254 10 0 DGAERO O=C(Nc1nc([C@@H]2CCC[NH2+]C2)cs1)Nc1ccccc1 ZINC000219198868 432663005 /nfs/dbraw/zinc/66/30/05/432663005.db2.gz BEWKXFVOFTWZDE-LLVKDONJSA-N 1 0 302.403 3.254 10 0 DGAERO Cc1cc(C)cc(OCCC[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000177814013 432664988 /nfs/dbraw/zinc/66/49/88/432664988.db2.gz ZMKJDDGGJKOYLG-QZTJIDSGSA-N 1 0 304.478 3.487 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)cc21 ZINC000159102200 432669960 /nfs/dbraw/zinc/66/99/60/432669960.db2.gz HLOZXLYXSPROAY-YVEFUNNKSA-N 1 0 317.408 3.074 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187969242 432694933 /nfs/dbraw/zinc/69/49/33/432694933.db2.gz FPYRGMQWKVMEGI-YVEFUNNKSA-N 1 0 324.852 3.070 10 0 DGAERO O=C(NCCc1ccsc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178116517 432696648 /nfs/dbraw/zinc/69/66/48/432696648.db2.gz SSZHHNHNDKJRMT-OAHLLOKOSA-N 1 0 306.475 3.061 10 0 DGAERO C[C@@H](O)C1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000225781582 432697441 /nfs/dbraw/zinc/69/74/41/432697441.db2.gz FUIONBCGQVCFAQ-LLVKDONJSA-N 1 0 308.472 3.464 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nncs2)cc1 ZINC000178137901 432698445 /nfs/dbraw/zinc/69/84/45/432698445.db2.gz HNBDLEQWFKJZGH-GFCCVEGCSA-N 1 0 318.446 3.026 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000188005482 432698991 /nfs/dbraw/zinc/69/89/91/432698991.db2.gz LCHOAFPJDVFOOW-SCLBCKFNSA-N 1 0 318.392 3.464 10 0 DGAERO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000188040565 432700049 /nfs/dbraw/zinc/70/00/49/432700049.db2.gz GXOKAZOXJPBQFX-IBGZPJMESA-N 1 0 313.445 3.450 10 0 DGAERO CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)CC2 ZINC000188138276 432707287 /nfs/dbraw/zinc/70/72/87/432707287.db2.gz IILHTLAKXFKTJU-SJLPKXTDSA-N 1 0 315.461 3.143 10 0 DGAERO COCCC[C@H](C)[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000178231739 432709251 /nfs/dbraw/zinc/70/92/51/432709251.db2.gz LDOCRFAJALADQM-HNNXBMFYSA-N 1 0 306.450 3.069 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@@H]2CCc3ncnn3C2)C2CCCC2)cc1 ZINC000188182431 432709386 /nfs/dbraw/zinc/70/93/86/432709386.db2.gz LIRVILHDFIKKDK-MJGOQNOKSA-N 1 0 310.445 3.422 10 0 DGAERO C[C@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)[C@@H]1CO ZINC000227195398 432710421 /nfs/dbraw/zinc/71/04/21/432710421.db2.gz PDZDQKBCVQLZAG-GXFFZTMASA-N 1 0 304.217 3.075 10 0 DGAERO Cc1nc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)oc1C ZINC000274816096 432711754 /nfs/dbraw/zinc/71/17/54/432711754.db2.gz IYFRXAUWLZGUCS-RDTXWAMCSA-N 1 0 313.445 3.292 10 0 DGAERO Cc1cc(F)cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000178268151 432713753 /nfs/dbraw/zinc/71/37/53/432713753.db2.gz MIIJGUXDHMJHEC-INIZCTEOSA-N 1 0 305.397 3.226 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)ccc1OC(C)C ZINC000188330080 432718427 /nfs/dbraw/zinc/71/84/27/432718427.db2.gz USDABHSBQLMEPP-KSSFIOAISA-N 1 0 307.434 3.339 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1F ZINC000178334015 432722144 /nfs/dbraw/zinc/72/21/44/432722144.db2.gz GNKMMEWLDNJNLC-HNNXBMFYSA-N 1 0 303.381 3.004 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000178332433 432722542 /nfs/dbraw/zinc/72/25/42/432722542.db2.gz LILGMPWBKBHMNV-INIZCTEOSA-N 1 0 319.836 3.388 10 0 DGAERO Cc1ccsc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000159103222 432670559 /nfs/dbraw/zinc/67/05/59/432670559.db2.gz REIDMTIATZUXJP-ZBFHGGJFSA-N 1 0 316.470 3.407 10 0 DGAERO CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cccs1 ZINC000159097570 432670699 /nfs/dbraw/zinc/67/06/99/432670699.db2.gz OHNPVLORJJRPPQ-JKSUJKDBSA-N 1 0 316.470 3.488 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(Br)cc1F ZINC000223246337 432675989 /nfs/dbraw/zinc/67/59/89/432675989.db2.gz DPQUTQCITWOFSR-UHFFFAOYSA-N 1 0 304.203 3.227 10 0 DGAERO COc1cc(C[NH2+]C(C)(C)C2CC2)cc(Br)c1O ZINC000223223587 432676147 /nfs/dbraw/zinc/67/61/47/432676147.db2.gz OTLPOKJOYIDPKY-UHFFFAOYSA-N 1 0 314.223 3.442 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1ccc(Oc2cccc(OC)c2)nc1 ZINC000187681768 432676967 /nfs/dbraw/zinc/67/69/67/432676967.db2.gz BRCJEEZBPGULPT-AWEZNQCLSA-N 1 0 316.401 3.255 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2s1)N1CCOCC1 ZINC000187728775 432680548 /nfs/dbraw/zinc/68/05/48/432680548.db2.gz PHLFBVASOUSFPO-KBPBESRZSA-N 1 0 304.459 3.273 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000159342220 432680690 /nfs/dbraw/zinc/68/06/90/432680690.db2.gz GPUGFMOPSQJURC-KBXCAEBGSA-N 1 0 324.440 3.320 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCNC(=O)c1ccccc1)CCCO2 ZINC000178022281 432684779 /nfs/dbraw/zinc/68/47/79/432684779.db2.gz RVMWXHGEWQPZPK-SFHVURJKSA-N 1 0 324.424 3.228 10 0 DGAERO COc1ccccc1/C=C/C[NH2+][C@H](CO)Cc1ccccc1C ZINC000188921501 432751966 /nfs/dbraw/zinc/75/19/66/432751966.db2.gz VGUCFPZERFIJDW-SSVWKNEZSA-N 1 0 311.425 3.210 10 0 DGAERO Cc1nc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)s1 ZINC000178572435 432754149 /nfs/dbraw/zinc/75/41/49/432754149.db2.gz PYBQBYWXXWKEAO-LBPRGKRZSA-N 1 0 317.458 3.010 10 0 DGAERO OCc1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1F ZINC000178566219 432754367 /nfs/dbraw/zinc/75/43/67/432754367.db2.gz FSMAJZRTQWUIOJ-GOSISDBHSA-N 1 0 317.429 3.438 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](C)C(C)C)c1ccccc1OCC(=O)N(C)C ZINC000178581349 432755142 /nfs/dbraw/zinc/75/51/42/432755142.db2.gz OIPQRTBKNLYWKK-NVXWUHKLSA-N 1 0 320.477 3.486 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](C)C(C)C)c1ccccc1OCC(=O)N(C)C ZINC000178581341 432755212 /nfs/dbraw/zinc/75/52/12/432755212.db2.gz OIPQRTBKNLYWKK-WBVHZDCISA-N 1 0 320.477 3.486 10 0 DGAERO C[N@H+](Cc1ccc(Cl)c(Br)c1)CC1(CO)CC1 ZINC000188957831 432755859 /nfs/dbraw/zinc/75/58/59/432755859.db2.gz UIAWBAUQHMASGB-UHFFFAOYSA-N 1 0 318.642 3.307 10 0 DGAERO CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000236692563 432758270 /nfs/dbraw/zinc/75/82/70/432758270.db2.gz VYXLESQKQGNWRH-CWRNSKLLSA-N 1 0 304.434 3.026 10 0 DGAERO COCCC1(C[NH2+]CCc2c(C)nn(C)c2C)CCCCC1 ZINC000189021771 432759206 /nfs/dbraw/zinc/75/92/06/432759206.db2.gz ZFKCEKCQYNEBDK-UHFFFAOYSA-N 1 0 307.482 3.156 10 0 DGAERO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236742583 432762504 /nfs/dbraw/zinc/76/25/04/432762504.db2.gz LKXDPLXFBAIBSX-DOTOQJQBSA-N 1 0 306.425 3.472 10 0 DGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000236759738 432763716 /nfs/dbraw/zinc/76/37/16/432763716.db2.gz PGZFUFMKMFSYRF-HKUYNNGSSA-N 1 0 302.462 3.112 10 0 DGAERO Cc1nc(NC(=O)NC2CCC(C[NH+](C)C)CC2)sc1C ZINC000178690134 432765915 /nfs/dbraw/zinc/76/59/15/432765915.db2.gz FAHYRGIBKKSYEK-UHFFFAOYSA-N 1 0 310.467 3.002 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)Cc2cccs2)[C@H](C)C1 ZINC000178694343 432767046 /nfs/dbraw/zinc/76/70/46/432767046.db2.gz LZKYHIGJJNZIEZ-YCPHGPKFSA-N 1 0 323.506 3.051 10 0 DGAERO CO[C@@H]1CN(Cc2sc(C)nc2C(F)(F)F)CC[C@H]1C ZINC000189287346 432776458 /nfs/dbraw/zinc/77/64/58/432776458.db2.gz WIHUBDUJYCYNIF-PSASIEDQSA-N 1 0 308.369 3.327 10 0 DGAERO Cc1nc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)s1 ZINC000178812446 432778914 /nfs/dbraw/zinc/77/89/14/432778914.db2.gz DHCRHCVQHDAFLE-UHFFFAOYSA-N 1 0 321.490 3.287 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000188543307 432730989 /nfs/dbraw/zinc/73/09/89/432730989.db2.gz HMKYXWAGJYQRHV-SWLSCSKDSA-N 1 0 318.383 3.180 10 0 DGAERO CCCn1cc(C[N@H+](Cc2ccccc2)C[C@](C)(O)CC)cn1 ZINC000188580067 432731408 /nfs/dbraw/zinc/73/14/08/432731408.db2.gz AITRWIKRIVGKIZ-LJQANCHMSA-N 1 0 315.461 3.456 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000235340873 432742787 /nfs/dbraw/zinc/74/27/87/432742787.db2.gz SGMFXFYHEPNAGD-QPUJVOFHSA-N 1 0 304.615 3.370 10 0 DGAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Br)c(F)c1 ZINC000161493733 432782064 /nfs/dbraw/zinc/78/20/64/432782064.db2.gz KFDKGPNTLKZYKR-IINYFYTJSA-N 1 0 315.230 3.290 10 0 DGAERO Clc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(Cl)n1 ZINC000236055984 432746523 /nfs/dbraw/zinc/74/65/23/432746523.db2.gz FSLYSTZYULEDPR-GFCCVEGCSA-N 1 0 300.233 3.059 10 0 DGAERO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)Cc2ccccc2)cs1 ZINC000189757931 432817208 /nfs/dbraw/zinc/81/72/08/432817208.db2.gz JCQSLBVVSXCPGI-WBVHZDCISA-N 1 0 302.443 3.192 10 0 DGAERO C[C@@H]1Cc2ccccc2N1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000244533031 432821153 /nfs/dbraw/zinc/82/11/53/432821153.db2.gz ZUEJVIGUYDEAJK-MRXNPFEDSA-N 1 0 320.436 3.413 10 0 DGAERO C[C@@]1(CNC(=O)C2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000162407969 432822461 /nfs/dbraw/zinc/82/24/61/432822461.db2.gz YWHHAWLCEINAHN-IBGZPJMESA-N 1 0 300.446 3.348 10 0 DGAERO CSCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1F ZINC000245407847 432826234 /nfs/dbraw/zinc/82/62/34/432826234.db2.gz DEFYAUPEZCOTES-BLLLJJGKSA-N 1 0 324.465 3.101 10 0 DGAERO C[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC2)[C@H]1c1cccc(F)c1 ZINC000245411285 432827813 /nfs/dbraw/zinc/82/78/13/432827813.db2.gz WDKSLKLNRCVPCF-FZKQIMNGSA-N 1 0 304.409 3.077 10 0 DGAERO CCc1nnc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](CC)C2)n1C ZINC000245408479 432828207 /nfs/dbraw/zinc/82/82/07/432828207.db2.gz HKYDXFBBIKPKKX-RDJZCZTQSA-N 1 0 312.461 3.393 10 0 DGAERO CC[C@@H]1C[N@H+](CCC(=O)NC(C)C)CC[C@H]1c1ccccc1 ZINC000245409261 432828245 /nfs/dbraw/zinc/82/82/45/432828245.db2.gz LHEDBADDCMEMIY-SJLPKXTDSA-N 1 0 302.462 3.417 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245415454 432828795 /nfs/dbraw/zinc/82/87/95/432828795.db2.gz DGNHZVJTDIORNS-ZFWWWQNUSA-N 1 0 303.475 3.458 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(SC)cc1 ZINC000245430671 432829119 /nfs/dbraw/zinc/82/91/19/432829119.db2.gz LZMGVWHHBVFRGW-CABCVRRESA-N 1 0 319.474 3.499 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000245436601 432830641 /nfs/dbraw/zinc/83/06/41/432830641.db2.gz VJJXJFCPNGSZBF-IXDOHACOSA-N 1 0 320.864 3.386 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)ccc1C ZINC000245437472 432830839 /nfs/dbraw/zinc/83/08/39/432830839.db2.gz WMBOYKFZNVPFOB-CABCVRRESA-N 1 0 305.397 3.225 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000245436303 432831139 /nfs/dbraw/zinc/83/11/39/432831139.db2.gz UZDYIBCHPAUUMA-YUELXQCFSA-N 1 0 322.399 3.011 10 0 DGAERO C[C@H](CCOc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245450106 432831500 /nfs/dbraw/zinc/83/15/00/432831500.db2.gz OHUMVAJLLZWBAQ-IXDOHACOSA-N 1 0 318.461 3.033 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000245454604 432833095 /nfs/dbraw/zinc/83/30/95/432833095.db2.gz ABGQBLPRJIDDDQ-ZBFHGGJFSA-N 1 0 314.433 3.214 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000245459905 432833672 /nfs/dbraw/zinc/83/36/72/432833672.db2.gz DUCCHHZMKFAXRD-XYJFISCASA-N 1 0 317.477 3.304 10 0 DGAERO O=C(NCCC1=CCCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000162826803 432835318 /nfs/dbraw/zinc/83/53/18/432835318.db2.gz KMWAXMXJICZZNM-MRXNPFEDSA-N 1 0 317.433 3.216 10 0 DGAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncc(Cl)cc1Br ZINC000162830756 432835450 /nfs/dbraw/zinc/83/54/50/432835450.db2.gz QNISGPYNIRKHKM-XCBNKYQSSA-N 1 0 304.619 3.050 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000245472246 432835964 /nfs/dbraw/zinc/83/59/64/432835964.db2.gz OURNVXKVQKVXNN-FUHWJXTLSA-N 1 0 317.477 3.224 10 0 DGAERO CCCC[C@@H](C[NH3+])NC(=O)c1sc(C2CCCC2)nc1C ZINC000162926232 432837420 /nfs/dbraw/zinc/83/74/20/432837420.db2.gz GJDPMAYYJRIQPW-ZDUSSCGKSA-N 1 0 309.479 3.356 10 0 DGAERO Cc1nccn1CCCC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000162907068 432837548 /nfs/dbraw/zinc/83/75/48/432837548.db2.gz DRNVPDGWFIRAMF-LPHOPBHVSA-N 1 0 313.445 3.434 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc(Cl)c1F ZINC000161531376 432785294 /nfs/dbraw/zinc/78/52/94/432785294.db2.gz XGHIZDGWMSETMF-SWLSCSKDSA-N 1 0 314.832 3.241 10 0 DGAERO CC(C)CCn1cccc1C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000161625017 432789669 /nfs/dbraw/zinc/78/96/69/432789669.db2.gz OFIXQSHGJYYXDK-UHFFFAOYSA-N 1 0 323.444 3.405 10 0 DGAERO O=C1NCC[C@H]1[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000178991950 432793904 /nfs/dbraw/zinc/79/39/04/432793904.db2.gz IWBNVOGWRORVAQ-IAGOWNOFSA-N 1 0 314.816 3.102 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1cccc(Cl)c1 ZINC000189512409 432794034 /nfs/dbraw/zinc/79/40/34/432794034.db2.gz SQADMSHMKVHKNG-CABCVRRESA-N 1 0 318.852 3.447 10 0 DGAERO CC[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc(Cl)c1F ZINC000161772195 432797414 /nfs/dbraw/zinc/79/74/14/432797414.db2.gz XEUBBSZJRCVZDY-GOEBONIOSA-N 1 0 315.816 3.309 10 0 DGAERO CC(C)OC1CC([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000189549356 432798064 /nfs/dbraw/zinc/79/80/64/432798064.db2.gz MJHXBSWDCWYOGR-IYXRBSQSSA-N 1 0 310.388 3.089 10 0 DGAERO CN1CC[C@@H]([NH2+]Cc2cc[nH]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179036174 432798153 /nfs/dbraw/zinc/79/81/53/432798153.db2.gz HFPMYZKLFOHOEF-CVEARBPZSA-N 1 0 307.800 3.342 10 0 DGAERO CN(C)C(=O)C1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000189566698 432800362 /nfs/dbraw/zinc/80/03/62/432800362.db2.gz VXQBTTXWCVAAFQ-ICSRJNTNSA-N 1 0 314.473 3.297 10 0 DGAERO CN(C)C(=O)C1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000189566763 432800657 /nfs/dbraw/zinc/80/06/57/432800657.db2.gz VXQBTTXWCVAAFQ-UYAOXDASSA-N 1 0 314.473 3.297 10 0 DGAERO Cc1c(C(=O)NCC[C@@H]2CCC[NH2+]C2)sc2cccc(F)c12 ZINC000237792555 432800760 /nfs/dbraw/zinc/80/07/60/432800760.db2.gz LZUZJBANRHWFFK-LBPRGKRZSA-N 1 0 320.433 3.468 10 0 DGAERO Cc1cc(-c2csc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)n2)c(C)o1 ZINC000237881329 432803643 /nfs/dbraw/zinc/80/36/43/432803643.db2.gz LIEDUARGKGCFCF-GHMZBOCLSA-N 1 0 305.403 3.086 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000237902555 432804850 /nfs/dbraw/zinc/80/48/50/432804850.db2.gz LRRQQDXPFILTBK-AAEUAGOBSA-N 1 0 315.348 3.079 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000237938585 432805609 /nfs/dbraw/zinc/80/56/09/432805609.db2.gz CHWWFPABCBFJEX-CZUORRHYSA-N 1 0 320.864 3.395 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCc3cccc(F)c3)[C@H]2C1 ZINC000245514075 432838825 /nfs/dbraw/zinc/83/88/25/432838825.db2.gz BHEGDWPCNIPOIG-FGTMMUONSA-N 1 0 307.409 3.027 10 0 DGAERO O=C(NCc1ccc2ccccc2c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238072513 432811990 /nfs/dbraw/zinc/81/19/90/432811990.db2.gz DGRGETJHUMAURZ-QYZOEREBSA-N 1 0 308.425 3.377 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000245876717 432867493 /nfs/dbraw/zinc/86/74/93/432867493.db2.gz MNMBDSQBHMDVKJ-YOEHRIQHSA-N 1 0 319.449 3.198 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C)c2F)[C@@H](C)C1 ZINC000245900099 432868304 /nfs/dbraw/zinc/86/83/04/432868304.db2.gz NSHVUKQUVYHVFK-ZFWWWQNUSA-N 1 0 307.413 3.328 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000245905646 432868945 /nfs/dbraw/zinc/86/89/45/432868945.db2.gz OMZBDWQTOBSABL-HFTRVMKXSA-N 1 0 321.486 3.443 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2C)[C@@H](C)C1 ZINC000245957731 432872331 /nfs/dbraw/zinc/87/23/31/432872331.db2.gz CGEYGUDCGGXWEI-XJKSGUPXSA-N 1 0 307.413 3.328 10 0 DGAERO C1CCC2(C1)[C@H]([NH2+][C@@H]1CCOC3(CCCC3)C1)[C@H]1CCO[C@@H]12 ZINC000245943179 432872826 /nfs/dbraw/zinc/87/28/26/432872826.db2.gz VHJLDMBWKJRSTM-VQHPVUNQSA-N 1 0 305.462 3.416 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nc3ccccc3s2)[C@@H](C)C1 ZINC000245973448 432873100 /nfs/dbraw/zinc/87/31/00/432873100.db2.gz WSVBXEMMEDZZGQ-JSGCOSHPSA-N 1 0 317.458 3.099 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000245968562 432873242 /nfs/dbraw/zinc/87/32/42/432873242.db2.gz FCMOZXCZNKNSQK-YOEHRIQHSA-N 1 0 319.449 3.198 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)OC2CCCCCC2)[C@H](C)C1 ZINC000246028867 432874555 /nfs/dbraw/zinc/87/45/55/432874555.db2.gz PEOZJAWFJUJWCZ-RYRKJORJSA-N 1 0 324.509 3.303 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC)cc1C ZINC000246048178 432874933 /nfs/dbraw/zinc/87/49/33/432874933.db2.gz AJSONCYHCVAQAT-GJZGRUSLSA-N 1 0 317.433 3.094 10 0 DGAERO C[C@H]1CC[C@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)O1 ZINC000246054306 432875029 /nfs/dbraw/zinc/87/50/29/432875029.db2.gz QJUWRHSFRNQOOH-RVKKMQEKSA-N 1 0 316.445 3.425 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000277947877 432879427 /nfs/dbraw/zinc/87/94/27/432879427.db2.gz RHPFRZAYOWCGIH-NOZJJQNGSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1cccnc1CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245535150 432839998 /nfs/dbraw/zinc/83/99/98/432839998.db2.gz KFIWUWXIYBWRGX-QZTJIDSGSA-N 1 0 301.478 3.476 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000245523863 432840584 /nfs/dbraw/zinc/84/05/84/432840584.db2.gz NGSUTUOUJHKEHO-BHIYHBOVSA-N 1 0 314.473 3.259 10 0 DGAERO Cc1cccc2nc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cn21 ZINC000245546311 432841862 /nfs/dbraw/zinc/84/18/62/432841862.db2.gz DBPVFIUMMBMAKU-CGTJXYLNSA-N 1 0 311.429 3.080 10 0 DGAERO C[C@H]1CN(CCC[NH+]2CCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000163144655 432845063 /nfs/dbraw/zinc/84/50/63/432845063.db2.gz HYSQJYFWLXXNKP-MAUKXSAKSA-N 1 0 306.425 3.073 10 0 DGAERO C[C@H]([NH3+])[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000163212202 432846690 /nfs/dbraw/zinc/84/66/90/432846690.db2.gz PBKCIADSAMKAPL-QWRGUYRKSA-N 1 0 303.233 3.041 10 0 DGAERO C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245641283 432851065 /nfs/dbraw/zinc/85/10/65/432851065.db2.gz KNBVBDJGCQTGQB-PVAVHDDUSA-N 1 0 301.434 3.016 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245635467 432851287 /nfs/dbraw/zinc/85/12/87/432851287.db2.gz BTYCOMLAFFKUJN-RDJZCZTQSA-N 1 0 318.461 3.179 10 0 DGAERO CC(C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245628610 432851622 /nfs/dbraw/zinc/85/16/22/432851622.db2.gz HEMOSVQXVVAIJV-XIRDDKMYSA-N 1 0 303.450 3.166 10 0 DGAERO CCC(CC)n1nc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245636807 432852046 /nfs/dbraw/zinc/85/20/46/432852046.db2.gz WZZKCXNGYZXZLV-BBRMVZONSA-N 1 0 320.481 3.107 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000163428864 432852639 /nfs/dbraw/zinc/85/26/39/432852639.db2.gz DNTJOHJTFYUCKF-DOTOQJQBSA-N 1 0 308.853 3.028 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000163405945 432852754 /nfs/dbraw/zinc/85/27/54/432852754.db2.gz BFTXYZOZJXBYLM-WMZOPIPTSA-N 1 0 320.477 3.235 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000245645321 432853168 /nfs/dbraw/zinc/85/31/68/432853168.db2.gz CAAQYDDGOGFKLM-LKFCYVNXSA-N 1 0 316.779 3.077 10 0 DGAERO CN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245679585 432855331 /nfs/dbraw/zinc/85/53/31/432855331.db2.gz MFMYVKQHJJVDGS-PUECVXPYSA-N 1 0 320.383 3.183 10 0 DGAERO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c(Cl)cc1F ZINC000163506479 432855443 /nfs/dbraw/zinc/85/54/43/432855443.db2.gz HHPXWUUOPFMYMX-GFCCVEGCSA-N 1 0 312.816 3.392 10 0 DGAERO CN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245679593 432855836 /nfs/dbraw/zinc/85/58/36/432855836.db2.gz MFMYVKQHJJVDGS-PZPSRYQVSA-N 1 0 320.383 3.183 10 0 DGAERO CCN(CC)c1ncc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000245713105 432857429 /nfs/dbraw/zinc/85/74/29/432857429.db2.gz GJWOZOAYTPZMOC-HOCLYGCPSA-N 1 0 324.538 3.151 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2cccc(Cl)c2)C1 ZINC000245705707 432857861 /nfs/dbraw/zinc/85/78/61/432857861.db2.gz XJOUDUREZCUCGE-SWLSCSKDSA-N 1 0 307.825 3.288 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000296820658 432928440 /nfs/dbraw/zinc/92/84/40/432928440.db2.gz NIDGSFJKQPNTPL-JOYOIKCWSA-N 1 0 302.187 3.103 10 0 DGAERO CC(=O)N1CCC[N@H+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000278832595 432905960 /nfs/dbraw/zinc/90/59/60/432905960.db2.gz CQOBJICSMMNERC-UHFFFAOYSA-N 1 0 302.462 3.081 10 0 DGAERO O=C(Nc1ccc(-c2ccccn2)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000333269430 433045546 /nfs/dbraw/zinc/04/55/46/433045546.db2.gz KFQZMISGPNISQC-UHFFFAOYSA-N 1 0 322.412 3.108 10 0 DGAERO Cc1c(Cl)cncc1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333273505 433045731 /nfs/dbraw/zinc/04/57/31/433045731.db2.gz GKKJMNCRVQTRQX-CQSZACIVSA-N 1 0 322.840 3.039 10 0 DGAERO CC(C)[C@H]1C[C@H](C[NH2+][C@H]2CC[C@@H](C)C[C@H]2n2cncn2)CCO1 ZINC000333227456 433043035 /nfs/dbraw/zinc/04/30/35/433043035.db2.gz NJDPKAIGTLRIIX-UYTYNIKBSA-N 1 0 320.481 3.049 10 0 DGAERO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470947044 289247909 /nfs/dbraw/zinc/24/79/09/289247909.db2.gz MRNKUYXIAZBDBQ-BZPMIXESSA-N 1 0 320.399 3.439 10 0 DGAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000156587002 292732275 /nfs/dbraw/zinc/73/22/75/292732275.db2.gz WPBIUQKTNBEETP-WBVHZDCISA-N 1 0 320.477 3.157 10 0 DGAERO CCC[C@@H](C(=O)N[C@H](C)c1cccc(OC(C)C)c1)[NH+](C)C ZINC000156895392 292736554 /nfs/dbraw/zinc/73/65/54/292736554.db2.gz DVPJVOWLUSVCJK-PBHICJAKSA-N 1 0 306.450 3.381 10 0 DGAERO CCC[C@H](C(=O)N[C@H](C)c1cccc(OC(C)C)c1)[NH+](C)C ZINC000156895565 292736562 /nfs/dbraw/zinc/73/65/62/292736562.db2.gz DVPJVOWLUSVCJK-RHSMWYFYSA-N 1 0 306.450 3.381 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H](C)c1cccc(OC(C)C)c1)[NH+](C)C ZINC000156895120 292736789 /nfs/dbraw/zinc/73/67/89/292736789.db2.gz DVPJVOWLUSVCJK-YOEHRIQHSA-N 1 0 306.450 3.381 10 0 DGAERO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC12CCC2 ZINC000373117568 433096850 /nfs/dbraw/zinc/09/68/50/433096850.db2.gz HZSPVKJFBTYVMN-GOSISDBHSA-N 1 0 312.457 3.444 10 0 DGAERO CC(C)c1nn(C)cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361358430 433125209 /nfs/dbraw/zinc/12/52/09/433125209.db2.gz XJVWHDMXLIHCCK-AWEZNQCLSA-N 1 0 318.465 3.137 10 0 DGAERO CCc1ncc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000453372519 433129409 /nfs/dbraw/zinc/12/94/09/433129409.db2.gz IQTVNMOJHQADTE-WMLDXEAASA-N 1 0 300.402 3.495 10 0 DGAERO Cc1cnc(CC[NH2+][C@H](C)c2nc3c(s2)CCCC3)cn1 ZINC000453387869 433144820 /nfs/dbraw/zinc/14/48/20/433144820.db2.gz BNUDGWDFSFIBRG-GFCCVEGCSA-N 1 0 302.447 3.014 10 0 DGAERO O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333793162 433104133 /nfs/dbraw/zinc/10/41/33/433104133.db2.gz MRJJIYFQCKIRLD-FGTMMUONSA-N 1 0 315.461 3.154 10 0 DGAERO Cc1cc(Br)c(C[NH2+][C@H]2CCCOCC2)s1 ZINC000453570349 433209084 /nfs/dbraw/zinc/20/90/84/433209084.db2.gz KFBJGNBOENWKMT-JTQLQIEISA-N 1 0 304.253 3.478 10 0 DGAERO COCC[C@H](COC)[NH2+][C@H](C)c1cc(Br)cs1 ZINC000336676771 433172898 /nfs/dbraw/zinc/17/28/98/433172898.db2.gz CGUUVAMAQOJFAE-MWLCHTKSSA-N 1 0 322.268 3.213 10 0 DGAERO OC[C@H]([NH2+]Cc1cc(Br)cs1)c1ccsc1 ZINC000336667880 433174478 /nfs/dbraw/zinc/17/44/78/433174478.db2.gz GBEYXKRNSUJEAR-NSHDSACASA-N 1 0 318.261 3.395 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(OCc2ccccc2)cc1 ZINC000336648015 433175201 /nfs/dbraw/zinc/17/52/01/433175201.db2.gz WSOUPFGNCBJUOP-HNAYVOBHSA-N 1 0 324.424 3.195 10 0 DGAERO CC(C)[C@@H](CCO)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000336708060 433177503 /nfs/dbraw/zinc/17/75/03/433177503.db2.gz LYGSJRAYSHZDLM-MNOVXSKESA-N 1 0 318.280 3.495 10 0 DGAERO Cc1cnn([C@H]2CC[N@H+](Cc3ccc4nc(C)ccc4c3)C2)c1 ZINC000290819677 433177874 /nfs/dbraw/zinc/17/78/74/433177874.db2.gz GRKQYUIRXPMMEG-SFHVURJKSA-N 1 0 306.413 3.495 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(CC)Cc2cccs2)CC1 ZINC000157679791 292750714 /nfs/dbraw/zinc/75/07/14/292750714.db2.gz SCJGIUGKNFNFCX-UHFFFAOYSA-N 1 0 323.506 3.402 10 0 DGAERO C[C@H](CC[NH2+]Cc1csc(Cl)c1Cl)[S@](C)=O ZINC000336740072 433194427 /nfs/dbraw/zinc/19/44/27/433194427.db2.gz LYZHYFQFNLDDRK-QZTNRIJFSA-N 1 0 300.276 3.302 10 0 DGAERO CC(=O)c1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1Cl ZINC000341672825 433202131 /nfs/dbraw/zinc/20/21/31/433202131.db2.gz DORIATGFULTATC-UHFFFAOYSA-N 1 0 313.744 3.443 10 0 DGAERO c1cc(CN2CCOC[C@@H]2CC2CCC2)n(-c2ccccc2)n1 ZINC000354727561 433236834 /nfs/dbraw/zinc/23/68/34/433236834.db2.gz GENJQHWFTDAPAT-IBGZPJMESA-N 1 0 311.429 3.263 10 0 DGAERO Cc1ccc2ccccc2c1C[N@@H+]1CCSC[C@H]1CCO ZINC000361587780 433266772 /nfs/dbraw/zinc/26/67/72/433266772.db2.gz WVGLJNXRUQPOQU-MRXNPFEDSA-N 1 0 301.455 3.448 10 0 DGAERO C[C@H](CC[NH+](C)C)NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000361649875 433315251 /nfs/dbraw/zinc/31/52/51/433315251.db2.gz INSBSWAJWBWWBL-GFCCVEGCSA-N 1 0 316.367 3.094 10 0 DGAERO c1cnc2c(c1)nccc2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338683209 433315893 /nfs/dbraw/zinc/31/58/93/433315893.db2.gz UMNGHDGXJRVCHG-RHSMWYFYSA-N 1 0 308.429 3.083 10 0 DGAERO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000374982761 433322771 /nfs/dbraw/zinc/32/27/71/433322771.db2.gz BOZLSWSMDCUHRW-MRXNPFEDSA-N 1 0 312.413 3.271 10 0 DGAERO Cc1ccc2c(c1)C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)C2 ZINC000361599846 433274814 /nfs/dbraw/zinc/27/48/14/433274814.db2.gz FDOZRVUVZBRQDT-UHFFFAOYSA-N 1 0 323.396 3.049 10 0 DGAERO C[C@@H]1CCOCCN1Cc1cc(F)ccc1Br ZINC000374990767 433326384 /nfs/dbraw/zinc/32/63/84/433326384.db2.gz VAFVDAQRFNAHRL-SNVBAGLBSA-N 1 0 302.187 3.199 10 0 DGAERO COc1cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)ccc1C ZINC000447810689 433287241 /nfs/dbraw/zinc/28/72/41/433287241.db2.gz ADVDYJVPUSTLQH-MRXNPFEDSA-N 1 0 313.397 3.323 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1 ZINC000448021335 433348187 /nfs/dbraw/zinc/34/81/87/433348187.db2.gz ICPJQGKOTVEFLS-MAUKXSAKSA-N 1 0 304.478 3.336 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(CC4CCSCC4)n3)cc12 ZINC000351069822 433360735 /nfs/dbraw/zinc/36/07/35/433360735.db2.gz BLHFUCIEJNFJOX-UHFFFAOYSA-N 1 0 300.387 3.070 10 0 DGAERO C[C@H]1CCOCCN1Cc1cc(F)ccc1Br ZINC000374990766 433328771 /nfs/dbraw/zinc/32/87/71/433328771.db2.gz VAFVDAQRFNAHRL-JTQLQIEISA-N 1 0 302.187 3.199 10 0 DGAERO Cc1ccc([C@H](C)CC[N@@H+]2CCC(=O)N(CC(C)C)CC2)o1 ZINC000299777513 433381592 /nfs/dbraw/zinc/38/15/92/433381592.db2.gz NZXKVDIOADQYIK-OAHLLOKOSA-N 1 0 306.450 3.272 10 0 DGAERO c1csc(-c2cnc(C[N@@H+]3CC[C@]4(C3)CCCOC4)o2)c1 ZINC000341968235 433385722 /nfs/dbraw/zinc/38/57/22/433385722.db2.gz APJMWUNDPYTQHA-INIZCTEOSA-N 1 0 304.415 3.406 10 0 DGAERO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@H]1COc2ccccc21 ZINC000185610664 289949931 /nfs/dbraw/zinc/94/99/31/289949931.db2.gz MASCIWSDEYABDU-DZGCQCFKSA-N 1 0 305.418 3.263 10 0 DGAERO c1cc(OCC2CC2)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375305601 433424201 /nfs/dbraw/zinc/42/42/01/433424201.db2.gz XFLOKDIZANFWSQ-IBGZPJMESA-N 1 0 301.430 3.478 10 0 DGAERO Fc1cccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1F ZINC000375405164 433452400 /nfs/dbraw/zinc/45/24/00/433452400.db2.gz QBSRSCFQIHEILR-LBPRGKRZSA-N 1 0 305.328 3.215 10 0 DGAERO Cc1c(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cccc1N(C)C ZINC000375418391 433459011 /nfs/dbraw/zinc/45/90/11/433459011.db2.gz XTUNJZNVSIXXOH-HNNXBMFYSA-N 1 0 318.465 3.009 10 0 DGAERO Cc1nsc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000301337192 433515531 /nfs/dbraw/zinc/51/55/31/433515531.db2.gz DHOACTVSVBGVJJ-OAHLLOKOSA-N 1 0 302.447 3.313 10 0 DGAERO COc1cccc(-c2noc(NCC[N@@H+]3CCCC[C@H]3C)n2)c1 ZINC000301353530 433517668 /nfs/dbraw/zinc/51/76/68/433517668.db2.gz JORUQMCQEWAQQH-CYBMUJFWSA-N 1 0 316.405 3.032 10 0 DGAERO c1cn(-c2ccccc2)nc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421379539 433523912 /nfs/dbraw/zinc/52/39/12/433523912.db2.gz LMMYJFCOEXMBMP-HNNXBMFYSA-N 1 0 313.470 3.495 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000375673105 433525435 /nfs/dbraw/zinc/52/54/35/433525435.db2.gz OYZLDANIMJIVRD-GOSISDBHSA-N 1 0 307.401 3.241 10 0 DGAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1sc2ccccc2c1Cl ZINC000282196074 433528207 /nfs/dbraw/zinc/52/82/07/433528207.db2.gz CGDUUIXRWWDEPZ-ONGXEEELSA-N 1 0 308.834 3.311 10 0 DGAERO C[NH+](C)Cc1cc(CNc2ncnc3ccccc32)ccc1F ZINC000301283838 433486354 /nfs/dbraw/zinc/48/63/54/433486354.db2.gz LBWVQFSYJOMJHZ-UHFFFAOYSA-N 1 0 310.376 3.443 10 0 DGAERO c1cc(C[NH2+]C2CC3(C2)CCCCC3)nc(N2CCOCC2)c1 ZINC000421340996 433488362 /nfs/dbraw/zinc/48/83/62/433488362.db2.gz JQBIHRPDIPMSQM-UHFFFAOYSA-N 1 0 315.461 3.121 10 0 DGAERO c1cc2c(cc1C[NH2+]C[C@H]1CC13CCSCC3)OCCO2 ZINC000421349697 433492762 /nfs/dbraw/zinc/49/27/62/433492762.db2.gz JONWOKXHNVZAGR-CQSZACIVSA-N 1 0 305.443 3.081 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1CCCSC1 ZINC000342289249 433587421 /nfs/dbraw/zinc/58/74/21/433587421.db2.gz MAKBBAATGSQPQR-LBPRGKRZSA-N 1 0 305.472 3.438 10 0 DGAERO COc1ccccc1C[C@H](C)[NH2+]Cc1nnc(C2CC2)s1 ZINC000414327506 433546413 /nfs/dbraw/zinc/54/64/13/433546413.db2.gz OSCMMJJTJZSGKA-NSHDSACASA-N 1 0 303.431 3.145 10 0 DGAERO CCC[C@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)[NH+](C)C ZINC000162324113 292851762 /nfs/dbraw/zinc/85/17/62/292851762.db2.gz ZGKUFGSTAXGWKF-MRXNPFEDSA-N 1 0 321.852 3.210 10 0 DGAERO CCc1oc2ccccc2c1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000162599788 292856480 /nfs/dbraw/zinc/85/64/80/292856480.db2.gz KRVXWXIAXOYPNS-UHFFFAOYSA-N 1 0 314.429 3.295 10 0 DGAERO C[C@H](F)CC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000339491881 433617114 /nfs/dbraw/zinc/61/71/14/433617114.db2.gz OVURPSNZLZHATD-QMMMGPOBSA-N 1 0 304.159 3.016 10 0 DGAERO Cc1cccc2c(N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)cc[nH+]c12 ZINC000301697820 433682032 /nfs/dbraw/zinc/68/20/32/433682032.db2.gz ZVVMNXRTMCVXLM-KGLIPLIRSA-N 1 0 318.442 3.311 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000414485168 433649728 /nfs/dbraw/zinc/64/97/28/433649728.db2.gz PBUKGBUOMWNGRD-IEBWSBKVSA-N 1 0 310.445 3.242 10 0 DGAERO Cn1nncc1C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000366925893 293005301 /nfs/dbraw/zinc/00/53/01/293005301.db2.gz OMVDORSFFNTASF-UHFFFAOYSA-N 1 0 324.453 3.046 10 0 DGAERO Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc[nH]c2C2CC2)n1 ZINC000366952928 293007374 /nfs/dbraw/zinc/00/73/74/293007374.db2.gz REBREPYCRRKYNB-OAHLLOKOSA-N 1 0 324.428 3.312 10 0 DGAERO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000367296129 293049341 /nfs/dbraw/zinc/04/93/41/293049341.db2.gz VMJSTPOJSONGAI-STQMWFEESA-N 1 0 304.365 3.074 10 0 DGAERO CCC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)C1CCCCC1 ZINC000367413908 293069008 /nfs/dbraw/zinc/06/90/08/293069008.db2.gz XLFPSQLLMAQDTJ-ZWKOTPCHSA-N 1 0 322.493 3.105 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Br)cc1 ZINC000367504298 293080818 /nfs/dbraw/zinc/08/08/18/293080818.db2.gz BODRFDIKAPRELX-XQLPTFJDSA-N 1 0 310.235 3.382 10 0 DGAERO Cc1cccc2c(NCc3nnc4n3CCCCC4)cc[nH+]c12 ZINC000301740560 433703252 /nfs/dbraw/zinc/70/32/52/433703252.db2.gz UMQPOQDJCYEHLY-UHFFFAOYSA-N 1 0 307.401 3.473 10 0 DGAERO C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCCCN1C1CC1 ZINC000370080446 293154494 /nfs/dbraw/zinc/15/44/94/293154494.db2.gz IKMBQAGDPUQZDJ-NXWXRZEISA-N 1 0 306.494 3.188 10 0 DGAERO COCc1cccc(C[NH+]2CCC(c3nccc(C)n3)CC2)c1 ZINC000370375146 293171715 /nfs/dbraw/zinc/17/17/15/293171715.db2.gz SBGYKMOYMIYMGR-UHFFFAOYSA-N 1 0 311.429 3.311 10 0 DGAERO CC(=CC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1cccc(Cl)c1 ZINC000372328858 293235064 /nfs/dbraw/zinc/23/50/64/293235064.db2.gz AKIBIVKVWPWZKR-DPQIITEBSA-N 1 0 315.804 3.140 10 0 DGAERO Cc1ccc([C@H]2C[C@H](C)CCN2CC(=O)NCc2ccco2)o1 ZINC000362433724 433709538 /nfs/dbraw/zinc/70/95/38/433709538.db2.gz HPDPQRGKVDLLAJ-CZUORRHYSA-N 1 0 316.401 3.270 10 0 DGAERO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000362449554 433721751 /nfs/dbraw/zinc/72/17/51/433721751.db2.gz PAYSRFCVBOCWEY-BZUAXINKSA-N 1 0 304.434 3.454 10 0 DGAERO OC[C@@H]1CCCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000374036507 293344682 /nfs/dbraw/zinc/34/46/82/293344682.db2.gz HHBLUWJNTZLDQW-SNVBAGLBSA-N 1 0 304.253 3.105 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1ccccc1)CC2 ZINC000374330603 293385000 /nfs/dbraw/zinc/38/50/00/293385000.db2.gz OMPWBEJMKBGSLI-HXUWFJFHSA-N 1 0 309.409 3.023 10 0 DGAERO c1csc(-c2nc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)co2)c1 ZINC000362446239 433720708 /nfs/dbraw/zinc/72/07/08/433720708.db2.gz HFYRAEHFKZDZMB-JSGCOSHPSA-N 1 0 304.415 3.404 10 0 DGAERO c1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCCOC3)OCCCCO2 ZINC000449311324 433738835 /nfs/dbraw/zinc/73/88/35/433738835.db2.gz LHNMNWMYGYQZSI-IBGZPJMESA-N 1 0 317.429 3.241 10 0 DGAERO CC(C)c1nn(C)cc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000376446633 433739991 /nfs/dbraw/zinc/73/99/91/433739991.db2.gz HAWZXCPHBQXJHG-UHFFFAOYSA-N 1 0 313.449 3.015 10 0 DGAERO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)ncn1 ZINC000301840392 433754321 /nfs/dbraw/zinc/75/43/21/433754321.db2.gz ASKRXVDKOZWQJD-HOCLYGCPSA-N 1 0 302.809 3.296 10 0 DGAERO c1nc(C2CC2)oc1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000449705816 433760918 /nfs/dbraw/zinc/76/09/18/433760918.db2.gz LGDZEGJTXBFILR-UHFFFAOYSA-N 1 0 303.450 3.439 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000414671641 433782704 /nfs/dbraw/zinc/78/27/04/433782704.db2.gz MMZJSOYIBCVCBN-UHFFFAOYSA-N 1 0 303.406 3.062 10 0 DGAERO c1ncn(Cc2ccc(-c3ccccc3C[NH2+]CC3CC3)cc2)n1 ZINC000356993655 433806287 /nfs/dbraw/zinc/80/62/87/433806287.db2.gz WRJATLCFEHGUBE-UHFFFAOYSA-N 1 0 318.424 3.493 10 0 DGAERO CSCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375840295 293577543 /nfs/dbraw/zinc/57/75/43/293577543.db2.gz OUJNVCIKKILNBR-AWEZNQCLSA-N 1 0 319.392 3.360 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000377415527 433876841 /nfs/dbraw/zinc/87/68/41/433876841.db2.gz YODKIEPXRXXUEX-NVXWUHKLSA-N 1 0 323.440 3.259 10 0 DGAERO FC(F)(F)c1cnc(N2CC[NH+](C3CCCC3)CC2)s1 ZINC000302743494 433849645 /nfs/dbraw/zinc/84/96/45/433849645.db2.gz DUGQICAGFMEIMH-UHFFFAOYSA-N 1 0 305.369 3.227 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000377396994 433870709 /nfs/dbraw/zinc/87/07/09/433870709.db2.gz FDKGXDNPFQMHGU-PCKAHOCUSA-N 1 0 309.457 3.242 10 0 DGAERO O=C(Nc1ccc2cc[nH]c2n1)c1cccc(C[NH+]2CCCC2)c1 ZINC000456945381 433899704 /nfs/dbraw/zinc/89/97/04/433899704.db2.gz CWQZCHMMKXROAR-UHFFFAOYSA-N 1 0 320.396 3.411 10 0 DGAERO CSCC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000362895907 433901594 /nfs/dbraw/zinc/90/15/94/433901594.db2.gz FZEIDRDWHWWIQS-UHFFFAOYSA-N 1 0 303.431 3.279 10 0 DGAERO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1=O ZINC000436250730 433914371 /nfs/dbraw/zinc/91/43/71/433914371.db2.gz WPHHHAHVZKBKBM-BRWVUGGUSA-N 1 0 300.446 3.312 10 0 DGAERO c1csc(-c2ncc(CN3CCC4(CC[NH2+]4)CC3)s2)c1 ZINC000422561517 433920250 /nfs/dbraw/zinc/92/02/50/433920250.db2.gz LRVXPUFPDUQXTC-UHFFFAOYSA-N 1 0 305.472 3.200 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000362953860 433922547 /nfs/dbraw/zinc/92/25/47/433922547.db2.gz CTLVVYPNJLJZAV-SJORKVTESA-N 1 0 307.459 3.052 10 0 DGAERO c1csc(-c2ncc(CN3CC[NH+]4CCC3CC4)s2)c1 ZINC000377633867 433936162 /nfs/dbraw/zinc/93/61/62/433936162.db2.gz YFCHCYQGIPDWIZ-UHFFFAOYSA-N 1 0 305.472 3.152 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)CSC2CC2)[C@@H]1c1cccs1 ZINC000449935524 433879917 /nfs/dbraw/zinc/87/99/17/433879917.db2.gz RKVNRTGRAHHORS-BLLLJJGKSA-N 1 0 324.515 3.143 10 0 DGAERO CC[C@H](CC(F)(F)F)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000449946947 433888219 /nfs/dbraw/zinc/88/82/19/433888219.db2.gz AVTYUABVWDVCOS-CYBMUJFWSA-N 1 0 308.388 3.203 10 0 DGAERO CCCCCn1nc(C)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000362889932 433894974 /nfs/dbraw/zinc/89/49/74/433894974.db2.gz DVHIOPTZLOJOCD-UHFFFAOYSA-N 1 0 306.454 3.052 10 0 DGAERO CC(=O)N1CC[N@H+](CCCc2cccc3ccccc32)[C@@H](C)C1 ZINC000357299084 433944168 /nfs/dbraw/zinc/94/41/68/433944168.db2.gz GUUHMSPXRFFPIH-INIZCTEOSA-N 1 0 310.441 3.325 10 0 DGAERO C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000377751680 433982259 /nfs/dbraw/zinc/98/22/59/433982259.db2.gz XGMRYUQTQFOWJE-NWGLXNPWSA-N 1 0 322.493 3.151 10 0 DGAERO CC(C)C(C[NH2+]Cc1c(Br)cnn1C)C(C)C ZINC000393846596 293832593 /nfs/dbraw/zinc/83/25/93/293832593.db2.gz FZHSZJFIQQFIKD-UHFFFAOYSA-N 1 0 302.260 3.200 10 0 DGAERO C[N@H+](CCCCNC(=O)Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000457160373 434022749 /nfs/dbraw/zinc/02/27/49/434022749.db2.gz BLQBHOJXDIPIGH-UHFFFAOYSA-N 1 0 312.816 3.012 10 0 DGAERO Fc1ccc(C[NH2+]CC2=CCOCC2)cc1Br ZINC000397750053 293847955 /nfs/dbraw/zinc/84/79/55/293847955.db2.gz PAOIULLMYHDSRE-UHFFFAOYSA-N 1 0 300.171 3.025 10 0 DGAERO Cc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447734 293864172 /nfs/dbraw/zinc/86/41/72/293864172.db2.gz QAIXDXGJPZINCR-BXUZGUMPSA-N 1 0 323.437 3.027 10 0 DGAERO CCSCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400726831 293865757 /nfs/dbraw/zinc/86/57/57/293865757.db2.gz PPDZKCHWDRPOFA-ZIAGYGMSSA-N 1 0 316.511 3.365 10 0 DGAERO COc1ccc(CCCN(C)Cc2nnc(C3CC3)s2)cc1 ZINC000450281368 434074830 /nfs/dbraw/zinc/07/48/30/434074830.db2.gz BRAZEBQRYJLTDO-UHFFFAOYSA-N 1 0 317.458 3.489 10 0 DGAERO CCC(=O)N[C@H]1CCCN(c2cc[nH+]c3ccc(CC)cc32)C1 ZINC000450290966 434083755 /nfs/dbraw/zinc/08/37/55/434083755.db2.gz DSIJSVDNHGJGPE-HNNXBMFYSA-N 1 0 311.429 3.292 10 0 DGAERO COCC[N@H+](CC[C@@H](C)O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000450319422 434100602 /nfs/dbraw/zinc/10/06/02/434100602.db2.gz YOROQJCUDWDKBN-CHWSQXEVSA-N 1 0 319.367 3.486 10 0 DGAERO CC[N@H+](CC[C@@H](C)O)Cc1cc(Br)ccc1F ZINC000450300723 434090353 /nfs/dbraw/zinc/09/03/53/434090353.db2.gz HLCGGLDUHWLTHB-SNVBAGLBSA-N 1 0 304.203 3.181 10 0 DGAERO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)CC1 ZINC000309572523 434097529 /nfs/dbraw/zinc/09/75/29/434097529.db2.gz AALARQFMFYZXHD-MOPGFXCFSA-N 1 0 305.462 3.322 10 0 DGAERO Cc1cccnc1[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)C(C)C ZINC000459376690 293968604 /nfs/dbraw/zinc/96/86/04/293968604.db2.gz LPGHQNBSRWCXMI-INIZCTEOSA-N 1 0 312.417 3.250 10 0 DGAERO C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCC[C@H](O)C1 ZINC000310158567 434108664 /nfs/dbraw/zinc/10/86/64/434108664.db2.gz QRMKEVCXABCWHV-JQWIXIFHSA-N 1 0 318.280 3.494 10 0 DGAERO CCC(C)(C)OCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000457340073 434111264 /nfs/dbraw/zinc/11/12/64/434111264.db2.gz HLXRINCPNWNRET-UHFFFAOYSA-N 1 0 318.461 3.217 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378227828 434113993 /nfs/dbraw/zinc/11/39/93/434113993.db2.gz MRSYXDSPGSLQEE-KAUXGEHWSA-N 1 0 316.420 3.220 10 0 DGAERO CO[C@H]1CCC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000363671932 434114804 /nfs/dbraw/zinc/11/48/04/434114804.db2.gz IFBPXEKERFHZOC-AWEZNQCLSA-N 1 0 300.402 3.160 10 0 DGAERO CC(C)Oc1ccc2[nH+]ccc(N(C)Cc3cnccn3)c2c1 ZINC000450342812 434116577 /nfs/dbraw/zinc/11/65/77/434116577.db2.gz UVPKXLUSRXIJKU-UHFFFAOYSA-N 1 0 308.385 3.448 10 0 DGAERO Clc1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(Cl)s1 ZINC000312753897 434118651 /nfs/dbraw/zinc/11/86/51/434118651.db2.gz AEGASOOJJWMIEH-GWCFXTLKSA-N 1 0 322.257 3.483 10 0 DGAERO CC1(C)COC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000313034219 434120159 /nfs/dbraw/zinc/12/01/59/434120159.db2.gz KVELHKMOLNCCTF-ZIAGYGMSSA-N 1 0 310.235 3.451 10 0 DGAERO COCC[N@H+](CC[C@@H](C)O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000450319423 434102072 /nfs/dbraw/zinc/10/20/72/434102072.db2.gz YOROQJCUDWDKBN-OLZOCXBDSA-N 1 0 319.367 3.486 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000313114428 434123399 /nfs/dbraw/zinc/12/33/99/434123399.db2.gz OBLJPNGVRXHETH-GFCCVEGCSA-N 1 0 302.187 3.103 10 0 DGAERO c1nnc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000450360785 434127524 /nfs/dbraw/zinc/12/75/24/434127524.db2.gz AWSCWCWOICMCPL-KRWDZBQOSA-N 1 0 314.458 3.031 10 0 DGAERO CC(C)Cn1cc(C(=O)N2CCC(C[NH3+])CC2)c2ccccc21 ZINC000457370486 434128999 /nfs/dbraw/zinc/12/89/99/434128999.db2.gz OTEUMEOPLKWSTI-UHFFFAOYSA-N 1 0 313.445 3.108 10 0 DGAERO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)s1 ZINC000313254143 434129113 /nfs/dbraw/zinc/12/91/13/434129113.db2.gz OJYGCDKZRDZYSY-VIFPVBQESA-N 1 0 314.252 3.137 10 0 DGAERO CCCC[N@H+](CCO)Cc1ccc(Br)c(F)c1 ZINC000505904147 294259095 /nfs/dbraw/zinc/25/90/95/294259095.db2.gz ZWBWMKBUOYOZNB-UHFFFAOYSA-N 1 0 304.203 3.183 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000506310948 294268700 /nfs/dbraw/zinc/26/87/00/294268700.db2.gz TZVZKIWNYKLHPX-AWEZNQCLSA-N 1 0 301.386 3.435 10 0 DGAERO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cnn2ccccc12 ZINC000506756624 294276436 /nfs/dbraw/zinc/27/64/36/294276436.db2.gz BSDRSLVWNYBLOB-UHFFFAOYSA-N 1 0 315.804 3.499 10 0 DGAERO C[C@@H]1CN([C@@H](C[NH2+]C[C@H]2CC=CCC2)c2cccs2)CCO1 ZINC000122347847 297069780 /nfs/dbraw/zinc/06/97/80/297069780.db2.gz PGQATHMXJLUYNT-IKGGRYGDSA-N 1 0 320.502 3.456 10 0 DGAERO COCC[N@H+](Cc1ccc(-c2ccncc2)cc1F)C1CC1 ZINC000507168846 294286350 /nfs/dbraw/zinc/28/63/50/294286350.db2.gz GDHCXSLCVJESRU-UHFFFAOYSA-N 1 0 300.377 3.499 10 0 DGAERO C[C@H]([NH2+]CCc1ccccc1Br)[C@@H]1CCCOC1 ZINC000507505041 294302015 /nfs/dbraw/zinc/30/20/15/294302015.db2.gz DJSNOSSCDZNBJG-GXTWGEPZSA-N 1 0 312.251 3.396 10 0 DGAERO C([NH2+][C@@H]1CC[C@@H]1C1CCC1)C1(N2CCOCC2)CCCCC1 ZINC000510669264 294389050 /nfs/dbraw/zinc/38/90/50/294389050.db2.gz UQCBDUCCZFIRFU-QZTJIDSGSA-N 1 0 306.494 3.190 10 0 DGAERO C[NH+]1CCN(Cc2cccc(N[C@H]3CC[C@H]3C3CCC3)c2)CC1 ZINC000510684350 294389054 /nfs/dbraw/zinc/38/90/54/294389054.db2.gz PVSOZGOFAFEWRJ-PMACEKPBSA-N 1 0 313.489 3.425 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1OC ZINC000510701108 294389942 /nfs/dbraw/zinc/38/99/42/294389942.db2.gz GJUDFBLAJIBSJI-GDBMZVCRSA-N 1 0 303.402 3.150 10 0 DGAERO COc1cccc([C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)N(C)C)c1 ZINC000510730520 294390421 /nfs/dbraw/zinc/39/04/21/294390421.db2.gz CPCLBTFPGGGBGE-QYZOEREBSA-N 1 0 302.462 3.466 10 0 DGAERO CCCC[C@@H](CC)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511020949 294399280 /nfs/dbraw/zinc/39/92/80/294399280.db2.gz ZIILIELGGIVHAK-SJORKVTESA-N 1 0 318.461 3.225 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H](CO)CC1CCCC1 ZINC000511033864 294399791 /nfs/dbraw/zinc/39/97/91/294399791.db2.gz BGIIJLNFLCIPQF-LSTHTHJFSA-N 1 0 316.489 3.038 10 0 DGAERO C[C@@H]1CN(CCSc2ccc(N)cc2Cl)C[C@@H](C)O1 ZINC000313799835 434136723 /nfs/dbraw/zinc/13/67/23/434136723.db2.gz MEIYKYXOCSKRCZ-GHMZBOCLSA-N 1 0 300.855 3.124 10 0 DGAERO c1nc(C2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)c[nH]1 ZINC000378340075 434147252 /nfs/dbraw/zinc/14/72/52/434147252.db2.gz GBNLSZDQBLODFH-OAHLLOKOSA-N 1 0 318.446 3.097 10 0 DGAERO Cc1ccc([C@H](O)C[NH+]2CCC(c3nccc(C)n3)CC2)cc1 ZINC000363799539 434147879 /nfs/dbraw/zinc/14/78/79/434147879.db2.gz ZMMRFYDZTAFBSZ-GOSISDBHSA-N 1 0 311.429 3.006 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCC[N@H+](C)C1CC1 ZINC000357721270 434149754 /nfs/dbraw/zinc/14/97/54/434149754.db2.gz LZLOVCRTBGXVML-QGZVFWFLSA-N 1 0 318.461 3.178 10 0 DGAERO COc1ccc([C@@H](C)C[N@@H+]2CCC23CCC(CO)CC3)cc1 ZINC000378447870 434188500 /nfs/dbraw/zinc/18/85/00/434188500.db2.gz IWSUDVSMBWLXDQ-LYGPFTKASA-N 1 0 303.446 3.426 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)c2)cn1 ZINC000346206883 434201239 /nfs/dbraw/zinc/20/12/39/434201239.db2.gz RCMAVTGNFIKTFJ-HNNXBMFYSA-N 1 0 317.458 3.182 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(Cl)c1 ZINC000416832431 434214316 /nfs/dbraw/zinc/21/43/16/434214316.db2.gz QKRHYNZBGDBWPE-AEGPPILISA-N 1 0 321.852 3.042 10 0 DGAERO O[C@@H]1CCC[C@@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000382005213 434276246 /nfs/dbraw/zinc/27/62/46/434276246.db2.gz SAYDQKBZWFZGFR-QZTJIDSGSA-N 1 0 303.446 3.219 10 0 DGAERO c1cc2ccc(C[NH2+]C3CCN(c4ccccn4)CC3)cc2[nH]1 ZINC000322594898 434260147 /nfs/dbraw/zinc/26/01/47/434260147.db2.gz HAZHPQJVLQGOCH-UHFFFAOYSA-N 1 0 306.413 3.322 10 0 DGAERO Brc1ccc([C@@H](N[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423182731 434267295 /nfs/dbraw/zinc/26/72/95/434267295.db2.gz GYVAVTJHQDNNLV-CABCVRRESA-N 1 0 309.251 3.242 10 0 DGAERO c1ccc([C@@H]2CC[C@@H]([NH2+]CCCNCc3cccnc3)C2)cc1 ZINC000423188980 434270561 /nfs/dbraw/zinc/27/05/61/434270561.db2.gz OEHWEROYOHHTFG-WOJBJXKFSA-N 1 0 309.457 3.487 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1N)[C@@H]1C[NH+]2CCC1CC2 ZINC000381357283 434271093 /nfs/dbraw/zinc/27/10/93/434271093.db2.gz GAIDAYWQCIMPLA-CQSZACIVSA-N 1 0 314.260 3.102 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000381738894 434272105 /nfs/dbraw/zinc/27/21/05/434272105.db2.gz OQGOZECIMFTYJH-BFVZDQMLSA-N 1 0 304.217 3.121 10 0 DGAERO CC1(C)[C@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@@H]2CCO[C@H]21 ZINC000364077224 434225507 /nfs/dbraw/zinc/22/55/07/434225507.db2.gz YDZNWLZDLBWKLS-YXYCDRMUSA-N 1 0 301.430 3.137 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1cccc(F)c1Br ZINC000324590383 434275663 /nfs/dbraw/zinc/27/56/63/434275663.db2.gz DNFGAUITIQWYRZ-NSHDSACASA-N 1 0 304.203 3.085 10 0 DGAERO Brc1ccc([C@H](NC[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423232916 434299406 /nfs/dbraw/zinc/29/94/06/434299406.db2.gz JBBITOPTBKEPKY-LSDHHAIUSA-N 1 0 309.251 3.242 10 0 DGAERO C[C@@H]1CN(C(=O)c2cc(Cl)sc2Cl)C[C@@]1(C)C[NH3+] ZINC000385855294 434302943 /nfs/dbraw/zinc/30/29/43/434302943.db2.gz VYALFIZQFUNSJJ-JMCQJSRRSA-N 1 0 307.246 3.112 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(F)c1Br ZINC000386241443 434306342 /nfs/dbraw/zinc/30/63/42/434306342.db2.gz HXGFMUWJPLPWCJ-DGCLKSJQSA-N 1 0 316.214 3.181 10 0 DGAERO C[C@@H]1CN(Cc2ccc(F)c(Br)c2)C[C@@]1(C)C[NH3+] ZINC000386230088 434308382 /nfs/dbraw/zinc/30/83/82/434308382.db2.gz AFIZQMHDISVJPO-QMTHXVAHSA-N 1 0 315.230 3.005 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3NC[C@H]1CCC[NH2+]1)CCCC2 ZINC000423241726 434310017 /nfs/dbraw/zinc/31/00/17/434310017.db2.gz VIHLFTRSZUPPER-AEFFLSMTSA-N 1 0 300.446 3.121 10 0 DGAERO c1ccc2c(c1)COC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000417370450 434368975 /nfs/dbraw/zinc/36/89/75/434368975.db2.gz UHJZYSSPVCCNOQ-JFRXWTBNSA-N 1 0 301.430 3.443 10 0 DGAERO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1O ZINC000390813668 434371058 /nfs/dbraw/zinc/37/10/58/434371058.db2.gz DTMQKMZEJXLXFW-KRWDZBQOSA-N 1 0 324.424 3.095 10 0 DGAERO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(F)cc(F)c1 ZINC000417386798 434377875 /nfs/dbraw/zinc/37/78/75/434377875.db2.gz SWSPEKAVGYRJCB-LBPRGKRZSA-N 1 0 313.388 3.183 10 0 DGAERO c1ncn(-c2ccc(C[NH2+][C@H]3CSc4ccccc43)cc2)n1 ZINC000358193535 434380008 /nfs/dbraw/zinc/38/00/08/434380008.db2.gz RFXJZGYMNXBSSZ-INIZCTEOSA-N 1 0 308.410 3.204 10 0 DGAERO CC(C)CC(C)(C)C[NH2+]Cc1c(Br)cnn1C ZINC000391194325 434381400 /nfs/dbraw/zinc/38/14/00/434381400.db2.gz KIHSWVOAPYDFLE-UHFFFAOYSA-N 1 0 302.260 3.345 10 0 DGAERO Cc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3C[C@H](C)O)n2)cc1 ZINC000392065406 434387126 /nfs/dbraw/zinc/38/71/26/434387126.db2.gz WAGGBBWEJKTGAK-GOEBONIOSA-N 1 0 315.417 3.170 10 0 DGAERO CO[C@H]([C@@H](C)[NH2+]Cc1ccsc1Br)C1CC1 ZINC000388731228 434335048 /nfs/dbraw/zinc/33/50/48/434335048.db2.gz DPKFLULIKARPDN-LDYMZIIASA-N 1 0 304.253 3.414 10 0 DGAERO COc1ccccc1CC(C)(C)[NH2+]Cc1cnn2ccccc12 ZINC000518776539 294735741 /nfs/dbraw/zinc/73/57/41/294735741.db2.gz CHMBCOVNRGEZDN-UHFFFAOYSA-N 1 0 309.413 3.454 10 0 DGAERO COC[C@@H](NC[C@H]1CCCC[N@@H+]1C(C)C)c1ccc(F)cc1 ZINC000450683877 434340559 /nfs/dbraw/zinc/34/05/59/434340559.db2.gz QSXGOUZGYCYHNP-QZTJIDSGSA-N 1 0 308.441 3.366 10 0 DGAERO O[C@@H](C[NH2+]CCCCF)COc1ccc(Cl)c(Cl)c1 ZINC000388988226 434341606 /nfs/dbraw/zinc/34/16/06/434341606.db2.gz RYQGEUKDCWFRRQ-JTQLQIEISA-N 1 0 310.196 3.072 10 0 DGAERO C[C@H](O)CCC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000450701436 434352771 /nfs/dbraw/zinc/35/27/71/434352771.db2.gz GPWMJNGZANRULQ-NSHDSACASA-N 1 0 320.355 3.008 10 0 DGAERO CC[C@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccccc1 ZINC000358161241 434358912 /nfs/dbraw/zinc/35/89/12/434358912.db2.gz FDBRQAMSNDYBLO-KRWDZBQOSA-N 1 0 301.434 3.089 10 0 DGAERO C[N@H+](Cc1ccc(-n2cncn2)cc1)CC1(c2ccccc2)CC1 ZINC000438270704 434444794 /nfs/dbraw/zinc/44/47/94/434444794.db2.gz XDDTXORHXXJCLS-UHFFFAOYSA-N 1 0 318.424 3.431 10 0 DGAERO CC[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000397918707 434446829 /nfs/dbraw/zinc/44/68/29/434446829.db2.gz MFPCIMWNIYBGGV-AABGKKOBSA-N 1 0 316.489 3.446 10 0 DGAERO Cc1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1F ZINC000329635004 434447271 /nfs/dbraw/zinc/44/72/71/434447271.db2.gz XTDXERXAFFHYCL-SUMWQHHRSA-N 1 0 317.364 3.110 10 0 DGAERO Fc1c(Br)cccc1C[NH2+]CC[C@H]1CCOC1 ZINC000394954443 434409527 /nfs/dbraw/zinc/40/95/27/434409527.db2.gz FOOVGZWCXTXPBR-JTQLQIEISA-N 1 0 302.187 3.104 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000394921572 434410705 /nfs/dbraw/zinc/41/07/05/434410705.db2.gz WYFHIKRMLXTJFV-PWSUYJOCSA-N 1 0 316.214 3.229 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000394987765 434411484 /nfs/dbraw/zinc/41/14/84/434411484.db2.gz VKNFJYWGPBXPQY-GFCCVEGCSA-N 1 0 315.230 3.162 10 0 DGAERO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1Cl)C1CC1 ZINC000450800712 434415002 /nfs/dbraw/zinc/41/50/02/434415002.db2.gz ZIYJMVKVTYAGJF-MRXNPFEDSA-N 1 0 306.837 3.315 10 0 DGAERO Cc1nccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000366446874 434420822 /nfs/dbraw/zinc/42/08/22/434420822.db2.gz BKHROXIFMOVMTD-OXQOHEQNSA-N 1 0 324.472 3.270 10 0 DGAERO CC1=C(C)CN(C(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000366466450 434425023 /nfs/dbraw/zinc/42/50/23/434425023.db2.gz PVBKMJDTEUFWDT-CQSZACIVSA-N 1 0 301.434 3.207 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[C@@H](C)O1 ZINC000295677314 434429772 /nfs/dbraw/zinc/42/97/72/434429772.db2.gz KPKWGNIJDKHJCH-SGFSRKTBSA-N 1 0 302.462 3.195 10 0 DGAERO Cc1cnccc1C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C ZINC000397266471 434432920 /nfs/dbraw/zinc/43/29/20/434432920.db2.gz LWYWBUKKMFOIGF-UHFFFAOYSA-N 1 0 307.438 3.173 10 0 DGAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3csc(Br)c3)C[C@H]2C1 ZINC000398795900 434463903 /nfs/dbraw/zinc/46/39/03/434463903.db2.gz RIPXTOOVUJBMGK-IJLUTSLNSA-N 1 0 316.264 3.103 10 0 DGAERO Brc1ccc(C[NH2+]CCCC2CCOCC2)o1 ZINC000438358659 434465527 /nfs/dbraw/zinc/46/55/27/434465527.db2.gz PZVOJKKFKRQRLF-UHFFFAOYSA-N 1 0 302.212 3.339 10 0 DGAERO COc1ccc(OC)c(CNc2ccccc2CC[NH+](C)C)c1 ZINC000438350728 434466215 /nfs/dbraw/zinc/46/62/15/434466215.db2.gz XQKJQXFQJVLSGO-UHFFFAOYSA-N 1 0 314.429 3.420 10 0 DGAERO COCC[C@H]1CCCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000329838293 434486820 /nfs/dbraw/zinc/48/68/20/434486820.db2.gz NIQNTGNQDDCREH-CQSZACIVSA-N 1 0 307.438 3.366 10 0 DGAERO C[C@@H](NCc1ccccc1OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400750544 434492313 /nfs/dbraw/zinc/49/23/13/434492313.db2.gz MTDVWQMUELMAAC-SJLPKXTDSA-N 1 0 310.441 3.353 10 0 DGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc(Cl)sc1Cl ZINC000401605608 434495442 /nfs/dbraw/zinc/49/54/42/434495442.db2.gz HAVZHDNOXAKHRZ-SECBINFHSA-N 1 0 319.257 3.459 10 0 DGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc(Cl)ccc1Cl ZINC000401685675 434499508 /nfs/dbraw/zinc/49/95/08/434499508.db2.gz XNYYBFIHEPQRBA-ZDUSSCGKSA-N 1 0 313.228 3.398 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)[C@H](C)O1 ZINC000398088859 434450652 /nfs/dbraw/zinc/45/06/52/434450652.db2.gz WIXYADJBPXXTTP-NEPXVJNWSA-N 1 0 302.462 3.197 10 0 DGAERO CCO[C@@H]1C[C@](CO)([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1(C)C ZINC000438331690 434452355 /nfs/dbraw/zinc/45/23/55/434452355.db2.gz OZXKJJMBNDLYRV-AJYBTWMASA-N 1 0 317.473 3.478 10 0 DGAERO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000398015081 434452450 /nfs/dbraw/zinc/45/24/50/434452450.db2.gz FYFQHVJZKTXLBD-QZTJIDSGSA-N 1 0 306.494 3.140 10 0 DGAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CCc1ccccn1 ZINC000398111887 434455227 /nfs/dbraw/zinc/45/52/27/434455227.db2.gz DIKLZDCQMNGSSO-FQEVSTJZSA-N 1 0 311.473 3.370 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCOCC3(CC3)C2)c1C ZINC000360088703 434512333 /nfs/dbraw/zinc/51/23/33/434512333.db2.gz NHBFSXCBZTXILK-UHFFFAOYSA-N 1 0 301.430 3.427 10 0 DGAERO Clc1cccc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c1Cl ZINC000404629441 434518810 /nfs/dbraw/zinc/51/88/10/434518810.db2.gz URABCYVNLWEBEU-JTQLQIEISA-N 1 0 311.216 3.100 10 0 DGAERO Clc1cccc(Cl)c1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404626073 434519990 /nfs/dbraw/zinc/51/99/90/434519990.db2.gz RIFMLBLYYRYAOY-SNVBAGLBSA-N 1 0 311.216 3.100 10 0 DGAERO c1nc(-c2ccccc2)sc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000360099655 434520178 /nfs/dbraw/zinc/52/01/78/434520178.db2.gz URGNSJNXFVJLDA-UHFFFAOYSA-N 1 0 300.427 3.423 10 0 DGAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)ccc1Br ZINC000407329747 434529627 /nfs/dbraw/zinc/52/96/27/434529627.db2.gz SDQFLERIHIJBNA-KBPBESRZSA-N 1 0 323.234 3.227 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407248272 434530116 /nfs/dbraw/zinc/53/01/16/434530116.db2.gz CZYPGXHNKWWWEM-KGLIPLIRSA-N 1 0 323.234 3.227 10 0 DGAERO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3C[C@H](O)C(C)(C)C)nc2c1 ZINC000451018570 434534962 /nfs/dbraw/zinc/53/49/62/434534962.db2.gz PTWQTKGOQLALDF-HOTGVXAUSA-N 1 0 301.434 3.415 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000360170183 434539411 /nfs/dbraw/zinc/53/94/11/434539411.db2.gz HRBGDGJTLSXOKT-RYQLBKOJSA-N 1 0 300.446 3.265 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000438976529 434555220 /nfs/dbraw/zinc/55/52/20/434555220.db2.gz UAGVFKMPZDGOFX-CYBMUJFWSA-N 1 0 306.372 3.052 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CCCCCC2)C1 ZINC000459005285 434555758 /nfs/dbraw/zinc/55/57/58/434555758.db2.gz GECAYAKKTJJIQQ-IRXDYDNUSA-N 1 0 307.482 3.083 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)Cc2ccsc2)CC1 ZINC000525810879 295034946 /nfs/dbraw/zinc/03/49/46/295034946.db2.gz NIVNVQIFHWCWHM-AWEZNQCLSA-N 1 0 323.506 3.100 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@H]1CCCCS1)CC2 ZINC000526014263 295051049 /nfs/dbraw/zinc/05/10/49/295051049.db2.gz OTHALTIVTXKYNZ-CHWSQXEVSA-N 1 0 321.490 3.040 10 0 DGAERO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000526932467 295063339 /nfs/dbraw/zinc/06/33/39/295063339.db2.gz PJAKEJWKWLLVQN-OCCSQVGLSA-N 1 0 320.399 3.440 10 0 DGAERO Cc1ccncc1C[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000527514416 295100456 /nfs/dbraw/zinc/10/04/56/295100456.db2.gz ORXJXHNRUSMGEI-UHFFFAOYSA-N 1 0 311.307 3.016 10 0 DGAERO Fc1c(Br)ccc(C[NH2+]CC[C@@H]2CCOC2)c1F ZINC000527691801 295116190 /nfs/dbraw/zinc/11/61/90/295116190.db2.gz ODJRMRXTFCJWBO-SECBINFHSA-N 1 0 320.177 3.244 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccsc2Br)C1 ZINC000527720225 295120625 /nfs/dbraw/zinc/12/06/25/295120625.db2.gz IDNFMYHDNGOZOZ-GXSJLCMTSA-N 1 0 304.253 3.151 10 0 DGAERO CC1(C)C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)CO1 ZINC000527728397 295121276 /nfs/dbraw/zinc/12/12/76/295121276.db2.gz SKZUFAMUOHOANN-SECBINFHSA-N 1 0 320.177 3.384 10 0 DGAERO c1cn(-c2ccc(C[NH2+]C[C@@H]3CCN3C3CCCCC3)cc2)cn1 ZINC000527752811 295125802 /nfs/dbraw/zinc/12/58/02/295125802.db2.gz QBWHUTBXIREFFD-FQEVSTJZSA-N 1 0 324.472 3.369 10 0 DGAERO c1cn(-c2ccc(C[NH2+]C[C@H]3CCN3C3CCCCC3)cc2)cn1 ZINC000527752814 295126056 /nfs/dbraw/zinc/12/60/56/295126056.db2.gz QBWHUTBXIREFFD-HXUWFJFHSA-N 1 0 324.472 3.369 10 0 DGAERO COc1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1O ZINC000093665913 295127436 /nfs/dbraw/zinc/12/74/36/295127436.db2.gz FWBCUJCEZPLPRV-INIZCTEOSA-N 1 0 305.418 3.324 10 0 DGAERO c1ncn(-c2ccc(C[NH2+][C@@H](c3ccccn3)C3CCC3)cc2)n1 ZINC000527770049 295127767 /nfs/dbraw/zinc/12/77/67/295127767.db2.gz CLJNKGQCZUZXLM-LJQANCHMSA-N 1 0 319.412 3.293 10 0 DGAERO c1cn(-c2ccc(C[NH2+][C@H](c3ccccn3)C3CCC3)cn2)cn1 ZINC000527770241 295127970 /nfs/dbraw/zinc/12/79/70/295127970.db2.gz DNZWJZZJTKJAGX-IBGZPJMESA-N 1 0 319.412 3.293 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527807136 295134125 /nfs/dbraw/zinc/13/41/25/295134125.db2.gz MTEVHOYVXKPOLQ-GOSISDBHSA-N 1 0 310.445 3.183 10 0 DGAERO C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CCN1C1CCCC1 ZINC000527812616 295134939 /nfs/dbraw/zinc/13/49/39/295134939.db2.gz VKYBKHRMUSTLTR-DWRORGKVSA-N 1 0 306.494 3.188 10 0 DGAERO c1c(C[NH2+]CC2COC2)c2ccccc2n1Cc1ccccc1 ZINC000527817626 295135938 /nfs/dbraw/zinc/13/59/38/295135938.db2.gz HRALPMUVPBTGRC-UHFFFAOYSA-N 1 0 306.409 3.426 10 0 DGAERO CN(CC(=O)NCc1ccccc1)Cc1ccc(C2CC2)cc1 ZINC000459355985 434569123 /nfs/dbraw/zinc/56/91/23/434569123.db2.gz ZEJKLYHXZHSJGG-UHFFFAOYSA-N 1 0 308.425 3.312 10 0 DGAERO Brc1ccc([C@@H]([NH2+]CC2COC2)C2CC2)s1 ZINC000528023403 295168607 /nfs/dbraw/zinc/16/86/07/295168607.db2.gz CHZVHGDUVFHMEJ-LBPRGKRZSA-N 1 0 302.237 3.198 10 0 DGAERO [NH3+]CC1(CC(=O)N2CCCC[C@H]2c2nccs2)CCCCC1 ZINC000184231925 295221643 /nfs/dbraw/zinc/22/16/43/295221643.db2.gz QQACMDUJBSCBBF-AWEZNQCLSA-N 1 0 321.490 3.496 10 0 DGAERO CC(C)[C@@H]([NH2+]Cc1nnc(C2CC2)s1)C1(CO)CCCC1 ZINC000459522515 434593648 /nfs/dbraw/zinc/59/36/48/434593648.db2.gz FBLBFVGSLARKJW-CQSZACIVSA-N 1 0 309.479 3.082 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC2(C[NH+](C)C)CCC2)cc1Cl ZINC000439367425 434594237 /nfs/dbraw/zinc/59/42/37/434594237.db2.gz APTGTMHCBSFUDL-UHFFFAOYSA-N 1 0 323.824 3.148 10 0 DGAERO CSCCC[N@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000439466224 434608496 /nfs/dbraw/zinc/60/84/96/434608496.db2.gz GTVRJWYVFKARCR-CYBMUJFWSA-N 1 0 321.408 3.294 10 0 DGAERO Clc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000371407704 434693240 /nfs/dbraw/zinc/69/32/40/434693240.db2.gz RYTVFAMHMUQIHZ-XHDPSFHLSA-N 1 0 316.228 3.421 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000371239191 434659929 /nfs/dbraw/zinc/65/99/29/434659929.db2.gz YZDZBMCQFKLYIO-DTXSUPOZSA-N 1 0 316.420 3.220 10 0 DGAERO c1ccc([C@H]([NH2+][C@H]2CCO[C@]3(CCOC3)C2)c2ccccn2)cc1 ZINC000360675797 434665352 /nfs/dbraw/zinc/66/53/52/434665352.db2.gz XQINVNBRBXOEIC-YSIASYRMSA-N 1 0 324.424 3.099 10 0 DGAERO O[C@H](CC[NH2+]Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000349316782 434672195 /nfs/dbraw/zinc/67/21/95/434672195.db2.gz ORRKLIGFPDFDIX-SNVBAGLBSA-N 1 0 302.123 3.396 10 0 DGAERO CC(=O)N(c1nc(C[NH2+]C2(C3CCC3)CCC2)cs1)C1CC1 ZINC000459730946 434681792 /nfs/dbraw/zinc/68/17/92/434681792.db2.gz CHKLORCARAGPKB-UHFFFAOYSA-N 1 0 319.474 3.471 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]3CCOC3)C1)O2 ZINC000360964709 434748145 /nfs/dbraw/zinc/74/81/45/434748145.db2.gz XBTAKWUWJOQRME-NXOAAHMSSA-N 1 0 317.429 3.011 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](CCOCC3CCC3)C2)n2c1CCCC2 ZINC000419286339 434765216 /nfs/dbraw/zinc/76/52/16/434765216.db2.gz FIAOSHQQEGHLLM-KRWDZBQOSA-N 1 0 317.477 3.216 10 0 DGAERO COC1([C@@H](C)[NH2+]CCCCOc2ccc(C)cc2)CCOCC1 ZINC000453070346 434790642 /nfs/dbraw/zinc/79/06/42/434790642.db2.gz UYYBCULFPBTYLM-QGZVFWFLSA-N 1 0 321.461 3.328 10 0 DGAERO COC1([C@H](C)[NH2+]CC(C)(C)c2ccc(F)cc2)CCOCC1 ZINC000453086160 434795994 /nfs/dbraw/zinc/79/59/94/434795994.db2.gz GTYSZJIVFRVEDD-AWEZNQCLSA-N 1 0 309.425 3.277 10 0 DGAERO C[C@H](CO)[C@H](C)[NH2+]Cc1cccc(Br)c1Cl ZINC000411527938 434796438 /nfs/dbraw/zinc/79/64/38/434796438.db2.gz GKLUICCOURUDHL-BDAKNGLRSA-N 1 0 306.631 3.209 10 0 DGAERO C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000372206519 434812696 /nfs/dbraw/zinc/81/26/96/434812696.db2.gz QDHUWYRXUWFASB-KBXJCHCYSA-N 1 0 302.393 3.043 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)c2nccn21 ZINC000453174799 434822259 /nfs/dbraw/zinc/82/22/59/434822259.db2.gz PAXMHSUHSIQBBQ-SWLSCSKDSA-N 1 0 305.809 3.349 10 0 DGAERO COC1([C@@H](C)[NH2+]CCc2ccc(SC)cc2)CCOCC1 ZINC000453217574 434831113 /nfs/dbraw/zinc/83/11/13/434831113.db2.gz PHLVUJRDLYLIKA-CQSZACIVSA-N 1 0 309.475 3.125 10 0 DGAERO c1ccc2nc(C[NH+]3CCC(c4ccncn4)CC3)ccc2c1 ZINC000411821750 434832093 /nfs/dbraw/zinc/83/20/93/434832093.db2.gz AASCGGLIIWZDHS-UHFFFAOYSA-N 1 0 304.397 3.404 10 0 DGAERO COC1([C@H](C)[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CCOCC1 ZINC000453221259 434832738 /nfs/dbraw/zinc/83/27/38/434832738.db2.gz RTUUEZANMFGBFL-QRTARXTBSA-N 1 0 307.409 3.245 10 0 DGAERO C[C@@H](CCCO)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000453282782 434847837 /nfs/dbraw/zinc/84/78/37/434847837.db2.gz VAMSGWLXFJLCEW-SUMWQHHRSA-N 1 0 321.852 3.161 10 0 DGAERO C[N@@H+]1CCC[C@H](CNc2ccc(F)cn2)[C@H]1c1cccs1 ZINC000553078393 434877373 /nfs/dbraw/zinc/87/73/73/434877373.db2.gz HSKWYNKGPRUPTH-WBMJQRKESA-N 1 0 305.422 3.199 10 0 DGAERO COC[C@H]([NH2+]CCc1cccc(OC)n1)c1ccc(Cl)cc1 ZINC000491906357 434879773 /nfs/dbraw/zinc/87/97/73/434879773.db2.gz BASSMBQAKXVPEH-INIZCTEOSA-N 1 0 320.820 3.263 10 0 DGAERO c1ccc(OCC2CC2)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000573489474 434902227 /nfs/dbraw/zinc/90/22/27/434902227.db2.gz FKHVITBAEHHGCL-IBGZPJMESA-N 1 0 300.446 3.051 10 0 DGAERO CC(C)c1ccc(/C=C/CC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000492111699 434917323 /nfs/dbraw/zinc/91/73/23/434917323.db2.gz VQGWAKTYQURKMS-BDUNBXCCSA-N 1 0 300.446 3.281 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CC(C)(C)[C@H]1C1CC1)CC2 ZINC000460972212 434866752 /nfs/dbraw/zinc/86/67/52/434866752.db2.gz RIERONRXDSFBOZ-CZUORRHYSA-N 1 0 315.461 3.285 10 0 DGAERO C[C@H](C(=O)OC(C)(C)C)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000523444271 434950489 /nfs/dbraw/zinc/95/04/89/434950489.db2.gz RCYAJULNXBTTON-SJORKVTESA-N 1 0 324.509 3.305 10 0 DGAERO c1ccc(N2CCC([NH2+]CCCC3CCOCC3)CC2)cc1 ZINC000463287029 434952720 /nfs/dbraw/zinc/95/27/20/434952720.db2.gz XSOMQSWOHNNDPV-UHFFFAOYSA-N 1 0 302.462 3.452 10 0 DGAERO C[N@H+](CCc1cccc(Br)c1)C[C@H](O)C(C)(C)C ZINC000463429357 434959583 /nfs/dbraw/zinc/95/95/83/434959583.db2.gz PCHSQDAZFHUXEU-AWEZNQCLSA-N 1 0 314.267 3.330 10 0 DGAERO C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000463491714 434962302 /nfs/dbraw/zinc/96/23/02/434962302.db2.gz AKYBRCHOFMXZNO-ZIAGYGMSSA-N 1 0 320.399 3.299 10 0 DGAERO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462787536 434927732 /nfs/dbraw/zinc/92/77/32/434927732.db2.gz KWUOIGQTDXZHKE-CZUORRHYSA-N 1 0 307.434 3.139 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000462794944 434929476 /nfs/dbraw/zinc/92/94/76/434929476.db2.gz YLPQEWPMDRQOLZ-JCNLHEQBSA-N 1 0 319.445 3.283 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC(C)C)c2ccccc2)C1 ZINC000524854468 434993793 /nfs/dbraw/zinc/99/37/93/434993793.db2.gz HZVCVLSKAJPHEO-FUHWJXTLSA-N 1 0 302.462 3.274 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000557890577 435071069 /nfs/dbraw/zinc/07/10/69/435071069.db2.gz CDXHINLRRAMSAE-BBWFWOEESA-N 1 0 302.462 3.244 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000466407195 435076632 /nfs/dbraw/zinc/07/66/32/435076632.db2.gz AIDBTZDDWJHHLR-HPUSYDDDSA-N 1 0 316.489 3.300 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC(=O)NC(C)C ZINC000558100505 435077382 /nfs/dbraw/zinc/07/73/82/435077382.db2.gz JMOZCYHQGVAJAR-GHXNOFRVSA-N 1 0 314.351 3.223 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCCCC2(C)C)CC1 ZINC000466526243 435081903 /nfs/dbraw/zinc/08/19/03/435081903.db2.gz CJFVQHJUDBELDJ-INIZCTEOSA-N 1 0 309.498 3.376 10 0 DGAERO CC(C)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000466669172 435086223 /nfs/dbraw/zinc/08/62/23/435086223.db2.gz FOOLNBFKPIGXDS-HNNXBMFYSA-N 1 0 318.417 3.254 10 0 DGAERO C[C@@H](CNC(=O)N1CCC2(C1)CCCCC2)C[NH+]1CCCCC1 ZINC000465685530 435038178 /nfs/dbraw/zinc/03/81/78/435038178.db2.gz IIJCKUBEYAJPBW-KRWDZBQOSA-N 1 0 321.509 3.474 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000465994521 435056562 /nfs/dbraw/zinc/05/65/62/435056562.db2.gz NKRZPTWRNUFFIB-HNNXBMFYSA-N 1 0 309.498 3.376 10 0 DGAERO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCOCC2CCC2)c1C ZINC000578827659 435111153 /nfs/dbraw/zinc/11/11/53/435111153.db2.gz FXTXZZCUWPIWCZ-HNNXBMFYSA-N 1 0 318.461 3.427 10 0 DGAERO CCc1ccc([C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[NH+](C)C)cc1 ZINC000467242725 435112563 /nfs/dbraw/zinc/11/25/63/435112563.db2.gz NIHKNSCWJQZIAO-ZSYWTGECSA-N 1 0 314.473 3.404 10 0 DGAERO COC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1cccc(C(F)(F)F)c1 ZINC000467367550 435118378 /nfs/dbraw/zinc/11/83/78/435118378.db2.gz CXNWOIKIZCEFNN-COPLHBTASA-N 1 0 305.340 3.406 10 0 DGAERO C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000579034338 435127122 /nfs/dbraw/zinc/12/71/22/435127122.db2.gz DPXMMVLLCFJFJF-HUUCEWRRSA-N 1 0 317.433 3.228 10 0 DGAERO C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)C(C)(C)C ZINC000559796304 435138529 /nfs/dbraw/zinc/13/85/29/435138529.db2.gz QIRRGTHFAIJYBO-CYBMUJFWSA-N 1 0 318.230 3.427 10 0 DGAERO Cc1csc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)n1 ZINC000532918101 435198767 /nfs/dbraw/zinc/19/87/67/435198767.db2.gz ZMSVYCHEBMUNCE-YUTCNCBUSA-N 1 0 307.463 3.291 10 0 DGAERO CC[C@@H](C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1)c1ccccc1 ZINC000475633765 435206108 /nfs/dbraw/zinc/20/61/08/435206108.db2.gz YHAUHZYRJPRMAW-LPHOPBHVSA-N 1 0 303.446 3.450 10 0 DGAERO CCN(C(=O)N[C@@H](C)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475009345 435170659 /nfs/dbraw/zinc/17/06/59/435170659.db2.gz XZFFUSJJMZUNOW-YJBOKZPZSA-N 1 0 315.461 3.091 10 0 DGAERO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CC1 ZINC000532571544 435178385 /nfs/dbraw/zinc/17/83/85/435178385.db2.gz YDDMSQOBHWIAAK-OLZOCXBDSA-N 1 0 318.417 3.253 10 0 DGAERO c1nc2cc(C[NH2+][C@@H]3CCOC4(CCSCC4)C3)ccc2[nH]1 ZINC000533227346 435216836 /nfs/dbraw/zinc/21/68/36/435216836.db2.gz RSXCXAMEABXYHR-CQSZACIVSA-N 1 0 317.458 3.097 10 0 DGAERO C[C@@H]1C[N@H+](C)C[C@H]1NCc1cc(Cl)ccc1Br ZINC000561526094 435221634 /nfs/dbraw/zinc/22/16/34/435221634.db2.gz LTLBENSQKYQVMT-NOZJJQNGSA-N 1 0 317.658 3.142 10 0 DGAERO Cc1ccncc1C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533346692 435227707 /nfs/dbraw/zinc/22/77/07/435227707.db2.gz NILFHKLBFJGSPM-OAHLLOKOSA-N 1 0 304.434 3.334 10 0 DGAERO c1cc2c(ccnc2N2CC[NH+](C[C@H]3CCSC3)CC2)s1 ZINC000561982033 435243099 /nfs/dbraw/zinc/24/30/99/435243099.db2.gz IQRWCXMKJXDIFY-CYBMUJFWSA-N 1 0 319.499 3.171 10 0 DGAERO F[C@H]1C[C@@H](C[NH2+]C[C@H]2CC=CCC2)N(Cc2nccs2)C1 ZINC000583621394 435244432 /nfs/dbraw/zinc/24/44/32/435244432.db2.gz BHTJCPJIINWWEB-KKUMJFAQSA-N 1 0 309.454 3.001 10 0 DGAERO c1cc2c(ccnc2N2CC[NH+](C[C@@H]3CCSC3)CC2)s1 ZINC000561982034 435244706 /nfs/dbraw/zinc/24/47/06/435244706.db2.gz IQRWCXMKJXDIFY-ZDUSSCGKSA-N 1 0 319.499 3.171 10 0 DGAERO C[C@H](O)C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000584150849 435278690 /nfs/dbraw/zinc/27/86/90/435278690.db2.gz PBOMYVGAPBYYAC-AWEZNQCLSA-N 1 0 311.385 3.053 10 0 DGAERO C[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000478591961 435304119 /nfs/dbraw/zinc/30/41/19/435304119.db2.gz IQZWCQJVVQGWJN-HOTGVXAUSA-N 1 0 321.509 3.471 10 0 DGAERO COc1ccc(Nc2nnc(SC[C@@H](C)[NH+](C)C)s2)cc1 ZINC000479225719 435325255 /nfs/dbraw/zinc/32/52/55/435325255.db2.gz PHZVRCNXOYHNEV-SNVBAGLBSA-N 1 0 324.475 3.333 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CC2(C)C)CC1 ZINC000479429091 435331059 /nfs/dbraw/zinc/33/10/59/435331059.db2.gz HYOZPCUFRRXAFR-RDJZCZTQSA-N 1 0 321.509 3.471 10 0 DGAERO C[C@@H]1C[C@H]1CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479434076 435332162 /nfs/dbraw/zinc/33/21/62/435332162.db2.gz BVXRAHFPXDNFRP-RYRKJORJSA-N 1 0 321.509 3.329 10 0 DGAERO CN(CC1CC1)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511875452 435335357 /nfs/dbraw/zinc/33/53/57/435335357.db2.gz SYFULVVKOWRBTE-IPMKNSEASA-N 1 0 312.457 3.123 10 0 DGAERO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567796234 435355510 /nfs/dbraw/zinc/35/55/10/435355510.db2.gz LVUFUGJDLXCADN-DOMZBBRYSA-N 1 0 304.415 3.322 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1CCOC(C)(C)C1 ZINC000513493735 435391593 /nfs/dbraw/zinc/39/15/93/435391593.db2.gz CPEOSNVRZSIHKI-QINSGFPZSA-N 1 0 322.880 3.444 10 0 DGAERO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)C1CCOCC1 ZINC000536648940 435399132 /nfs/dbraw/zinc/39/91/32/435399132.db2.gz XYELLCCHZIYNNT-UHFFFAOYSA-N 1 0 319.836 3.445 10 0 DGAERO CC(C)c1nn(C)cc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482086125 435452355 /nfs/dbraw/zinc/45/23/55/435452355.db2.gz CUBBFIKNVBTOHB-NVXWUHKLSA-N 1 0 312.461 3.476 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc2c1OCC2 ZINC000482168904 435457563 /nfs/dbraw/zinc/45/75/63/435457563.db2.gz IHTYKFKHZRQRBC-RBUKOAKNSA-N 1 0 315.457 3.303 10 0 DGAERO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Cl)cc(Cl)c1 ZINC000482432985 435464832 /nfs/dbraw/zinc/46/48/32/435464832.db2.gz CMSWLBAYZXQIQE-VXGBXAGGSA-N 1 0 317.260 3.365 10 0 DGAERO Brc1cc2c(c(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)c1)OCC2 ZINC000568782841 435470496 /nfs/dbraw/zinc/47/04/96/435470496.db2.gz GEJYTOMROKXSHS-BTTYYORXSA-N 1 0 308.219 3.272 10 0 DGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000644669895 435481279 /nfs/dbraw/zinc/48/12/79/435481279.db2.gz SLQLBJMCWDYLEJ-NEPJUHHUSA-N 1 0 318.642 3.496 10 0 DGAERO c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CCOC3(CCC3)C1)CS2 ZINC000515351531 435476136 /nfs/dbraw/zinc/47/61/36/435476136.db2.gz JJYLQYODYYRIPQ-ZIAGYGMSSA-N 1 0 305.443 3.231 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C1CCC(c2ccccc2)CC1 ZINC000537215758 435433593 /nfs/dbraw/zinc/43/35/93/435433593.db2.gz XLOVWNIFUFKDQW-UHFFFAOYSA-N 1 0 302.462 3.371 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccccc2)C1(CC)CC ZINC000537293171 435435753 /nfs/dbraw/zinc/43/57/53/435435753.db2.gz XMRVJXYKTWOTQW-KZNAEPCWSA-N 1 0 305.462 3.336 10 0 DGAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000568458997 435439064 /nfs/dbraw/zinc/43/90/64/435439064.db2.gz WAWLHTNAIOKEQG-IVMMDQJWSA-N 1 0 324.415 3.305 10 0 DGAERO C[C@@H]1CCC[C@H](C[NH2+]Cc2c(Br)cnn2C)[C@H]1C ZINC000481825287 435443681 /nfs/dbraw/zinc/44/36/81/435443681.db2.gz QHYKIOXXNNZRIJ-GRYCIOLGSA-N 1 0 314.271 3.345 10 0 DGAERO c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000483262195 435505222 /nfs/dbraw/zinc/50/52/22/435505222.db2.gz KUFYANHYNXPUJY-PKOBYXMFSA-N 1 0 301.430 3.476 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000539417652 435552669 /nfs/dbraw/zinc/55/26/69/435552669.db2.gz ZUAMTLOQGICZFQ-UHFFFAOYSA-N 1 0 302.374 3.096 10 0 DGAERO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000540162666 435591377 /nfs/dbraw/zinc/59/13/77/435591377.db2.gz CHAQSQWHDKRNJW-ZIAGYGMSSA-N 1 0 302.409 3.335 10 0 DGAERO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCSC ZINC000484297629 435542240 /nfs/dbraw/zinc/54/22/40/435542240.db2.gz JAIDSOWLBGTMPW-SFHVURJKSA-N 1 0 321.486 3.380 10 0 DGAERO C[C@@H](C[NH2+]Cc1c(Br)cnn1C)C1CCCCC1 ZINC000518040775 435624182 /nfs/dbraw/zinc/62/41/82/435624182.db2.gz YRACFUUHCSOUNO-NSHDSACASA-N 1 0 314.271 3.489 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000570840235 435655595 /nfs/dbraw/zinc/65/55/95/435655595.db2.gz YNGKHUDBQHSSKW-LJQANCHMSA-N 1 0 307.441 3.324 10 0 DGAERO Cc1ccc(-c2noc(CN3C[C@@H](C)O[C@H](C4CC4)C3)n2)cc1 ZINC000518858458 435657049 /nfs/dbraw/zinc/65/70/49/435657049.db2.gz HBZJNCJIGGDBTC-CJNGLKHVSA-N 1 0 313.401 3.044 10 0 DGAERO CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCC[C@](C)(F)C1 ZINC000519176887 435673911 /nfs/dbraw/zinc/67/39/11/435673911.db2.gz MGWNEOLWCJSIJP-SFHVURJKSA-N 1 0 320.408 3.432 10 0 DGAERO CC[C@H](O)C[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000548939666 435729567 /nfs/dbraw/zinc/72/95/67/435729567.db2.gz JLXIYZGPOZOOKD-UONOGXRCSA-N 1 0 305.315 3.347 10 0 DGAERO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000550862712 435813414 /nfs/dbraw/zinc/81/34/14/435813414.db2.gz GYWUIHRAHSRARQ-LLVKDONJSA-N 1 0 313.401 3.281 10 0 DGAERO Cc1ccc(OCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c(C)c1 ZINC000520705758 435766546 /nfs/dbraw/zinc/76/65/46/435766546.db2.gz WFJURHRFTPTTIT-UHFFFAOYSA-N 1 0 311.385 3.455 10 0 DGAERO C[C@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000551525680 435840693 /nfs/dbraw/zinc/84/06/93/435840693.db2.gz KWKADIQZTUHOHL-YLJYHZDGSA-N 1 0 318.505 3.428 10 0 DGAERO c1ccc(OCCCC[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000552147245 435885318 /nfs/dbraw/zinc/88/53/18/435885318.db2.gz VASZXZBBXQNMGW-OALUTQOASA-N 1 0 301.430 3.489 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]CCOCC2CCC2)c(C)c1OC ZINC000552280324 435892908 /nfs/dbraw/zinc/89/29/08/435892908.db2.gz DIFXMFOHYJETFT-AWEZNQCLSA-N 1 0 321.461 3.350 10 0 DGAERO [NH3+]C[C@@H]1CCCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000646796369 435920845 /nfs/dbraw/zinc/92/08/45/435920845.db2.gz AVZVMBHFTNQVJE-VIFPVBQESA-N 1 0 312.797 3.257 10 0 DGAERO C[NH2+][C@@H](C)CNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000647033116 435937275 /nfs/dbraw/zinc/93/72/75/435937275.db2.gz ONXNWSIKLVWBGF-ZETCQYMHSA-N 1 0 300.786 3.032 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]CC1(C)OCCCO1)CCCO2 ZINC000190664240 301447503 /nfs/dbraw/zinc/44/75/03/301447503.db2.gz FAKRIMLCSQWBLR-MRXNPFEDSA-N 1 0 305.418 3.260 10 0 DGAERO CC(C)[C@H]([NH3+])CCNc1ccnc2cc(Br)cnc21 ZINC000663276084 436432326 /nfs/dbraw/zinc/43/23/26/436432326.db2.gz WCBGUDDKBPWGFH-LLVKDONJSA-N 1 0 323.238 3.178 10 0 DGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(Br)cc1F ZINC000658352345 436436805 /nfs/dbraw/zinc/43/68/05/436436805.db2.gz FDNDXJDMYQCWIU-FKTRJACZSA-N 1 0 302.187 3.010 10 0 DGAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(F)c(Br)c1 ZINC000658351011 436437346 /nfs/dbraw/zinc/43/73/46/436437346.db2.gz JORGVDBYXDOZBS-SILCLGDVSA-N 1 0 302.187 3.010 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccc(F)cc1Cl ZINC000132119982 312634783 /nfs/dbraw/zinc/63/47/83/312634783.db2.gz OUHSEURTADOIOB-CQSZACIVSA-N 1 0 314.832 3.114 10 0 DGAERO Cc1ccc([C@H](CNC(=O)Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000170633908 312697515 /nfs/dbraw/zinc/69/75/15/312697515.db2.gz QLBYJCJIAHUQHI-KRWDZBQOSA-N 1 0 312.413 3.084 10 0 DGAERO CSCc1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)ccc1F ZINC000174187196 312760891 /nfs/dbraw/zinc/76/08/91/312760891.db2.gz YSWJEEHXDRTOEO-OAHLLOKOSA-N 1 0 324.465 3.245 10 0 DGAERO Brc1ccc(C2([NH2+]CC3CC3)CCOCC2)cc1 ZINC000174470288 312763388 /nfs/dbraw/zinc/76/33/88/312763388.db2.gz OBWHLHZJMKWQMF-UHFFFAOYSA-N 1 0 310.235 3.454 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCN1CCOCC1 ZINC000338143864 312837708 /nfs/dbraw/zinc/83/77/08/312837708.db2.gz QVYMPOLUSFTZCR-FYWRMAATSA-N 1 0 308.853 3.055 10 0 DGAERO CC(=O)[C@@](C)(O)C[N@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000528742495 313070351 /nfs/dbraw/zinc/07/03/51/313070351.db2.gz NMRUNTHBSJNDDG-KRWDZBQOSA-N 1 0 307.821 3.078 10 0 DGAERO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000532484866 313553707 /nfs/dbraw/zinc/55/37/07/313553707.db2.gz BNCXBLUTTCAUFK-RYUDHWBXSA-N 1 0 317.260 3.365 10 0 DGAERO Cc1c(C(=O)N(C)CCC[NH+](C)C)sc2cccc(F)c12 ZINC000538317359 313856539 /nfs/dbraw/zinc/85/65/39/313856539.db2.gz RMOUPKLLFPSOCC-UHFFFAOYSA-N 1 0 308.422 3.373 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cc2c(s1)CCCCCC2 ZINC000538315868 313856653 /nfs/dbraw/zinc/85/66/53/313856653.db2.gz MUEADLINDPUVOM-UHFFFAOYSA-N 1 0 308.491 3.431 10 0 DGAERO c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000540163473 313950220 /nfs/dbraw/zinc/95/02/20/313950220.db2.gz FYLAETFSDZLXSY-QYZOEREBSA-N 1 0 301.430 3.456 10 0 DGAERO C1CC2(C1)[C@H]([NH2+][C@@H]1CCOC3(CCCCC3)C1)[C@@H]1CCO[C@H]12 ZINC000540605571 313968231 /nfs/dbraw/zinc/96/82/31/313968231.db2.gz FEROSCROAIHKFC-YYIAUSFCSA-N 1 0 305.462 3.416 10 0 DGAERO C1CC2(C1)[C@H]([NH2+][C@@H]1CCOC3(CCCCC3)C1)[C@H]1CCO[C@@H]12 ZINC000540605570 313968260 /nfs/dbraw/zinc/96/82/60/313968260.db2.gz FEROSCROAIHKFC-VQHPVUNQSA-N 1 0 305.462 3.416 10 0 DGAERO COc1nc2ccccc2cc1C[NH2+]C1(CCO)CCCCC1 ZINC000540610316 313968878 /nfs/dbraw/zinc/96/88/78/313968878.db2.gz QMBWYKSNIFBSKV-UHFFFAOYSA-N 1 0 314.429 3.418 10 0 DGAERO Clc1ccccc1-c1csc(NCC[NH+]2CCCC2)n1 ZINC000541280102 314005027 /nfs/dbraw/zinc/00/50/27/314005027.db2.gz PICRLTJQWSFVFI-UHFFFAOYSA-N 1 0 307.850 3.393 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000541442522 314015072 /nfs/dbraw/zinc/01/50/72/314015072.db2.gz MWWFIBUJCZKEDF-INIZCTEOSA-N 1 0 307.482 3.249 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000541482166 314016931 /nfs/dbraw/zinc/01/69/31/314016931.db2.gz JCPREFIKIZKLOI-JKSUJKDBSA-N 1 0 309.498 3.351 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000541606987 314027894 /nfs/dbraw/zinc/02/78/94/314027894.db2.gz SZCJRFAIFYKCGY-MRXNPFEDSA-N 1 0 317.477 3.211 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC=CCC1 ZINC000542255515 314065404 /nfs/dbraw/zinc/06/54/04/314065404.db2.gz ZZPYJPIJVIETMS-MSOLQXFVSA-N 1 0 314.473 3.330 10 0 DGAERO Cc1ccccc1-c1cccc(C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000543621466 314145822 /nfs/dbraw/zinc/14/58/22/314145822.db2.gz RGNIBRHRHXVZKI-HXUWFJFHSA-N 1 0 322.452 3.178 10 0 DGAERO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CC=CCC2)c1 ZINC000544104360 314173090 /nfs/dbraw/zinc/17/30/90/314173090.db2.gz ASSTXGVLHJALML-QZTJIDSGSA-N 1 0 303.446 3.331 10 0 DGAERO C[C@@H](c1noc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1)C1CC1 ZINC000545107409 314226602 /nfs/dbraw/zinc/22/66/02/314226602.db2.gz VLQZRDNPSHKPGB-CZUORRHYSA-N 1 0 312.417 3.358 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cn1 ZINC000545199387 314232372 /nfs/dbraw/zinc/23/23/72/314232372.db2.gz ANPOXZXJGNMJFM-HNNXBMFYSA-N 1 0 304.434 3.334 10 0 DGAERO Cc1ccc([C@H](C)C[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000545905699 314274028 /nfs/dbraw/zinc/27/40/28/314274028.db2.gz URTHKUGHTKWGOQ-MRXNPFEDSA-N 1 0 310.445 3.147 10 0 DGAERO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000545950356 314278663 /nfs/dbraw/zinc/27/86/63/314278663.db2.gz YEZKOAFREHZOTB-NVXWUHKLSA-N 1 0 317.429 3.457 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000546567067 314311500 /nfs/dbraw/zinc/31/15/00/314311500.db2.gz VCRFIZCVYDMJOU-DLBZAZTESA-N 1 0 315.461 3.130 10 0 DGAERO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000546573460 314311960 /nfs/dbraw/zinc/31/19/60/314311960.db2.gz MBDHBSDAAFUGTO-DLBZAZTESA-N 1 0 302.462 3.429 10 0 DGAERO Cc1ccc2cccc(NC(=O)NCC[N@H+]3CC=C(C)CC3)c2n1 ZINC000546576750 314312124 /nfs/dbraw/zinc/31/21/24/314312124.db2.gz XIIGLNAXTFRSEU-UHFFFAOYSA-N 1 0 324.428 3.317 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000547271886 314352340 /nfs/dbraw/zinc/35/23/40/314352340.db2.gz RLDSMJBKXYXLEI-FUHWJXTLSA-N 1 0 313.445 3.041 10 0 DGAERO Cc1cc2cc(NC(=O)NCC[N@H+]3CC=C(C)CC3)ccc2[nH]1 ZINC000547281910 314352931 /nfs/dbraw/zinc/35/29/31/314352931.db2.gz NWAIHNGKHKPARK-UHFFFAOYSA-N 1 0 312.417 3.250 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000547530517 314378221 /nfs/dbraw/zinc/37/82/21/314378221.db2.gz ACPVGUWSQMDURX-CYBMUJFWSA-N 1 0 323.403 3.091 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@H](COC)c1ccc(F)cc1 ZINC000548195100 314432333 /nfs/dbraw/zinc/43/23/33/314432333.db2.gz PHZLCAFFMIGJBE-RTBURBONSA-N 1 0 317.404 3.361 10 0 DGAERO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000549037992 314490420 /nfs/dbraw/zinc/49/04/20/314490420.db2.gz YYZGSCMDHXAVFQ-CZUORRHYSA-N 1 0 323.444 3.285 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC000551515557 314564308 /nfs/dbraw/zinc/56/43/08/314564308.db2.gz FMZATEJBHUUFRA-UHFFFAOYSA-N 1 0 312.457 3.498 10 0 DGAERO Cc1cc(CC[NH2+][C@H](C)c2ncc(Br)s2)on1 ZINC000552096340 314596368 /nfs/dbraw/zinc/59/63/68/314596368.db2.gz ZASBLNKTGHJUQB-MRVPVSSYSA-N 1 0 316.224 3.095 10 0 DGAERO C[C@H]([NH2+]CCOCC1CCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562280638 315005497 /nfs/dbraw/zinc/00/54/97/315005497.db2.gz IYYAUVYBYAMEHU-ZDUSSCGKSA-N 1 0 316.445 3.384 10 0 DGAERO Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H](c4ccnn4C)C3)nc2c1 ZINC000562616594 315036420 /nfs/dbraw/zinc/03/64/20/315036420.db2.gz DAPLZGHCHMRODH-HUUCEWRRSA-N 1 0 323.444 3.421 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)cc1 ZINC000564550876 315182551 /nfs/dbraw/zinc/18/25/51/315182551.db2.gz IGRMZUWPTYNXPD-HNNXBMFYSA-N 1 0 309.413 3.372 10 0 DGAERO Fc1ccc(C[NH2+]CCOCC2CCC2)c(Br)c1 ZINC000564648274 315188728 /nfs/dbraw/zinc/18/87/28/315188728.db2.gz YKDGSLGKEQTCDX-UHFFFAOYSA-N 1 0 316.214 3.495 10 0 DGAERO O=C(c1cccc(Cl)c1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564721724 315194708 /nfs/dbraw/zinc/19/47/08/315194708.db2.gz FHCBMRJEPWSOJR-OAHLLOKOSA-N 1 0 313.228 3.209 10 0 DGAERO CSc1ccccc1[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000576422644 316129170 /nfs/dbraw/zinc/12/91/70/316129170.db2.gz WRSOCMCRYFFVBG-ZDUSSCGKSA-N 1 0 309.479 3.063 10 0 DGAERO CCC[C@H](C[N@@H+]1CCN(CCOC)[C@H](C)C1)c1ccccc1 ZINC000180086500 323220934 /nfs/dbraw/zinc/22/09/34/323220934.db2.gz WMQSAIAKCGGRJR-IEBWSBKVSA-N 1 0 304.478 3.223 10 0 DGAERO CCCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180491288 323230556 /nfs/dbraw/zinc/23/05/56/323230556.db2.gz VCMDHHADSMCUKI-APWZRJJASA-N 1 0 320.477 3.237 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H](C)C1CCCCC1 ZINC000180766349 323237255 /nfs/dbraw/zinc/23/72/55/323237255.db2.gz AVPZJMFIRUYKOZ-MBNYWOFBSA-N 1 0 320.399 3.344 10 0 DGAERO CCCc1cnc(NC(=O)NCC2CC[NH+](CCC)CC2)s1 ZINC000180818181 323239299 /nfs/dbraw/zinc/23/92/99/323239299.db2.gz AILPVLNIXXTCAM-UHFFFAOYSA-N 1 0 324.494 3.339 10 0 DGAERO CCC[C@@H](C)C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000181030572 323244066 /nfs/dbraw/zinc/24/40/66/323244066.db2.gz AAZVAMZSDPIJOP-GFCCVEGCSA-N 1 0 303.855 3.140 10 0 DGAERO CCSCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181302408 323251356 /nfs/dbraw/zinc/25/13/56/323251356.db2.gz QRZLDQYLYPFXLK-OAHLLOKOSA-N 1 0 316.474 3.404 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000181440556 323253886 /nfs/dbraw/zinc/25/38/86/323253886.db2.gz NFJQNXMONGMROM-IAGOWNOFSA-N 1 0 307.482 3.009 10 0 DGAERO CCCCO[C@@H]1C[C@H]([NH2+]CCc2c(C)nn(C)c2C)C1(C)C ZINC000181440940 323253895 /nfs/dbraw/zinc/25/38/95/323253895.db2.gz AWKJZBCRPNWQSA-DLBZAZTESA-N 1 0 307.482 3.153 10 0 DGAERO Cc1nc(C[NH2+][C@@H](CCO)C2CCCCC2)nc2ccccc12 ZINC000181498722 323257172 /nfs/dbraw/zinc/25/71/72/323257172.db2.gz YWPWXHURJWXNJD-KRWDZBQOSA-N 1 0 313.445 3.359 10 0 DGAERO CC(C)CO[C@H]1C[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C1(C)C ZINC000181566151 323259221 /nfs/dbraw/zinc/25/92/21/323259221.db2.gz WRGFRQPXZLGWBB-IRXDYDNUSA-N 1 0 309.425 3.247 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCC2(C)CCCCCC2)CC[N@@H+]1C ZINC000181720283 323266055 /nfs/dbraw/zinc/26/60/55/323266055.db2.gz ZENBGLTZGWZEMZ-JKSUJKDBSA-N 1 0 309.498 3.471 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)NCCC(C)(C)C)cc1F ZINC000182001221 323278848 /nfs/dbraw/zinc/27/88/48/323278848.db2.gz SGRXXKLBBMDOLK-GFCCVEGCSA-N 1 0 310.413 3.037 10 0 DGAERO C[C@H](C[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)Cc1ccccc1 ZINC000182059364 323282179 /nfs/dbraw/zinc/28/21/79/323282179.db2.gz PEJBBWAFTWPKIL-FXAWDEMLSA-N 1 0 324.468 3.154 10 0 DGAERO C[C@@H](C[NH2+]Cc1cn(C)nc1C(F)(F)F)Cc1ccccc1 ZINC000182071185 323282562 /nfs/dbraw/zinc/28/25/62/323282562.db2.gz MCSKCQCCOJQEDI-GFCCVEGCSA-N 1 0 311.351 3.407 10 0 DGAERO CCCC[C@H]([NH2+]CCC(=O)NC(C)C)c1ccc(OC)cc1 ZINC000182154770 323285365 /nfs/dbraw/zinc/28/53/65/323285365.db2.gz YEEKGLVWRMYTQQ-KRWDZBQOSA-N 1 0 306.450 3.431 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000182360004 323295029 /nfs/dbraw/zinc/29/50/29/323295029.db2.gz YVHDGMREFUVTRN-IAGOWNOFSA-N 1 0 318.461 3.297 10 0 DGAERO CC(C)Oc1ccc(F)cc1NC(=O)N(C)CCC[NH+](C)C ZINC000182972892 323318593 /nfs/dbraw/zinc/31/85/93/323318593.db2.gz UKHYIQSOQXGXTG-UHFFFAOYSA-N 1 0 311.401 3.028 10 0 DGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC(=O)NCc1ccco1 ZINC000183133756 323326817 /nfs/dbraw/zinc/32/68/17/323326817.db2.gz WUNBPJXAXDFOOQ-SFHVURJKSA-N 1 0 312.413 3.199 10 0 DGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000183131910 323326960 /nfs/dbraw/zinc/32/69/60/323326960.db2.gz NOJAIQHNDKEHPH-HNNXBMFYSA-N 1 0 315.442 3.385 10 0 DGAERO C[C@@H](CCNC(=O)c1scnc1C1CC1)[NH+]1CCCCC1 ZINC000183168485 323328297 /nfs/dbraw/zinc/32/82/97/323328297.db2.gz IYCLMIAHSSSUET-LBPRGKRZSA-N 1 0 307.463 3.015 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183389567 323335994 /nfs/dbraw/zinc/33/59/94/323335994.db2.gz ULZAZLRYABUAFN-SFHVURJKSA-N 1 0 324.424 3.245 10 0 DGAERO CC[N@@H+]1CCC[C@@H](N[C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183391736 323336700 /nfs/dbraw/zinc/33/67/00/323336700.db2.gz LTALOXJVFUALGP-MJGOQNOKSA-N 1 0 313.420 3.384 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H](O)COC(C)(C)C)C2)c1 ZINC000183478553 323339286 /nfs/dbraw/zinc/33/92/86/323339286.db2.gz IURBWRTYCGGJPM-WMZOPIPTSA-N 1 0 305.462 3.269 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+]CCCc1c(C)nn(C)c1C ZINC000183491085 323339900 /nfs/dbraw/zinc/33/99/00/323339900.db2.gz YRYVTWDLUXQIJZ-ZDUSSCGKSA-N 1 0 301.434 3.329 10 0 DGAERO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCn1ccnn1 ZINC000184269507 323360854 /nfs/dbraw/zinc/36/08/54/323360854.db2.gz PVGSRCQYGNJAHX-LBPRGKRZSA-N 1 0 308.813 3.071 10 0 DGAERO C[C@@H]([NH2+]CCCn1ccnn1)c1cc2cc(Cl)ccc2o1 ZINC000184270616 323360900 /nfs/dbraw/zinc/36/09/00/323360900.db2.gz WUFISYTXCQRUHG-LLVKDONJSA-N 1 0 304.781 3.419 10 0 DGAERO Cc1ccc([C@@H]([NH2+]CCCn2ccnn2)c2ccccc2)cc1 ZINC000184277516 323361124 /nfs/dbraw/zinc/36/11/24/323361124.db2.gz AOGWWCCKMAPUPU-IBGZPJMESA-N 1 0 306.413 3.356 10 0 DGAERO CCCC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)C1CCC1 ZINC000184894564 323376845 /nfs/dbraw/zinc/37/68/45/323376845.db2.gz NHGUKIHMSWWJHG-SFHVURJKSA-N 1 0 318.461 3.260 10 0 DGAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)cc1C ZINC000185593470 323391005 /nfs/dbraw/zinc/39/10/05/323391005.db2.gz VNYVZCXBEXHPPO-CRAIPNDOSA-N 1 0 324.424 3.396 10 0 DGAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc1C ZINC000185593415 323391214 /nfs/dbraw/zinc/39/12/14/323391214.db2.gz VNYVZCXBEXHPPO-YJBOKZPZSA-N 1 0 324.424 3.396 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000188094311 323422486 /nfs/dbraw/zinc/42/24/86/323422486.db2.gz AOORQMJBOGTKRN-NWDGAFQWSA-N 1 0 316.239 3.089 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)CC2CCCCC2)CC1 ZINC000194939754 323483126 /nfs/dbraw/zinc/48/31/26/323483126.db2.gz VSPQMILWUSOUOF-UHFFFAOYSA-N 1 0 309.498 3.330 10 0 DGAERO CCOCCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000388367981 323652474 /nfs/dbraw/zinc/65/24/74/323652474.db2.gz AFXFRZNWRODLCP-HNNXBMFYSA-N 1 0 314.470 3.040 10 0 DGAERO [NH3+][C@H]1C[C@@H](NCc2ccn(Cc3ccccc3)n2)c2ccccc21 ZINC000389957582 323664797 /nfs/dbraw/zinc/66/47/97/323664797.db2.gz XSTHEZXCLMFRGC-VQTJNVASSA-N 1 0 318.424 3.166 10 0 DGAERO CCc1nc(C)c(NC(=O)NC2CC([NH+]3CCCCC3)C2)s1 ZINC000578202089 323700027 /nfs/dbraw/zinc/70/00/27/323700027.db2.gz RGBNDUALFLIJMV-UHFFFAOYSA-N 1 0 322.478 3.152 10 0 DGAERO c1ccc(OCCC[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000580856645 324046794 /nfs/dbraw/zinc/04/67/94/324046794.db2.gz PXUKMTMONUAZCQ-UHFFFAOYSA-N 1 0 311.381 3.329 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000584410172 337320854 /nfs/dbraw/zinc/32/08/54/337320854.db2.gz SYRKFLJOPNLMFR-ICSRJNTNSA-N 1 0 314.473 3.330 10 0 DGAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C1 ZINC000584601100 337370879 /nfs/dbraw/zinc/37/08/79/337370879.db2.gz OXQXKJVZYGGXIN-JKSUJKDBSA-N 1 0 304.434 3.422 10 0 DGAERO C[C@H](C[NH+]1CCC(O)(c2ccccc2)CC1)Nc1ccccc1 ZINC000584636774 337379401 /nfs/dbraw/zinc/37/94/01/337379401.db2.gz AQSBZBIBZYJUJS-QGZVFWFLSA-N 1 0 310.441 3.471 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCCC23CCC3)C1 ZINC000444849266 533798557 /nfs/dbraw/zinc/79/85/57/533798557.db2.gz OGVWWXZKWXKEHJ-IYBDPMFKSA-N 1 0 307.482 3.083 10 0 DGAERO CSCc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1F ZINC000177223148 533832476 /nfs/dbraw/zinc/83/24/76/533832476.db2.gz VVANHYHPRIQJJJ-FZMZJTMJSA-N 1 0 322.449 3.044 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000174572526 533889374 /nfs/dbraw/zinc/88/93/74/533889374.db2.gz VQMDTYREKLAKRT-GHMZBOCLSA-N 1 0 313.804 3.426 10 0 DGAERO C[C@@H](CNC(=O)N1CCCC12CCC2)[N@H+](C)Cc1ccccc1 ZINC000445096761 533919037 /nfs/dbraw/zinc/91/90/37/533919037.db2.gz YSTHWHFDWJVGAP-INIZCTEOSA-N 1 0 315.461 3.235 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(F)cc1C(F)(F)F)[S@@](C)=O ZINC000157655014 533940966 /nfs/dbraw/zinc/94/09/66/533940966.db2.gz DSPVGOFUXUSOLZ-YBYGRFCBSA-N 1 0 311.344 3.091 10 0 DGAERO C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000331963670 533980170 /nfs/dbraw/zinc/98/01/70/533980170.db2.gz STVCTYXZXRZOSR-NRSFXHEJSA-N 1 0 315.461 3.092 10 0 DGAERO Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc[nH+]1 ZINC000302350309 533997869 /nfs/dbraw/zinc/99/78/69/533997869.db2.gz YFONOJGBDBUQEK-HUUCEWRRSA-N 1 0 312.417 3.011 10 0 DGAERO COc1ccc(NC(=O)C[N@@H+]2CCCC23CCC3)cc1Cl ZINC000444777267 534076202 /nfs/dbraw/zinc/07/62/02/534076202.db2.gz FHTSWEPHIWZOJD-UHFFFAOYSA-N 1 0 308.809 3.306 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000155224263 519645867 /nfs/dbraw/zinc/64/58/67/519645867.db2.gz VGFVCTFJRLSFGG-UWTIGNOOSA-N 1 0 320.481 3.044 10 0 DGAERO CC(C)C[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163550352 519743010 /nfs/dbraw/zinc/74/30/10/519743010.db2.gz MONCZTDIJNHKFR-UHFFFAOYSA-N 1 0 301.356 3.315 10 0 DGAERO CCCC(O)(CCC)CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000161900488 519885246 /nfs/dbraw/zinc/88/52/46/519885246.db2.gz NIUNWGNVMCSCIM-UHFFFAOYSA-N 1 0 324.509 3.042 10 0 DGAERO NC(=O)c1c[nH+]ccc1N[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000302210305 534512049 /nfs/dbraw/zinc/51/20/49/534512049.db2.gz GIJAMPUKGJNKAU-YMTOWFKASA-N 1 0 322.195 3.455 10 0 DGAERO CCCC[C@@H](COC)[NH2+]C1CCN(c2ccc(C)cn2)CC1 ZINC000163506199 521055835 /nfs/dbraw/zinc/05/58/35/521055835.db2.gz XREHJWCRGDSBGK-KRWDZBQOSA-N 1 0 305.466 3.154 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163432712 521648804 /nfs/dbraw/zinc/64/88/04/521648804.db2.gz XSCKTEWJHVHLGT-LBPRGKRZSA-N 1 0 304.331 3.418 10 0 DGAERO CC[C@@H]([NH2+]C[C@H]1CCCN1CCOC)c1cc(F)ccc1F ZINC000163320937 522864594 /nfs/dbraw/zinc/86/45/94/522864594.db2.gz OMFGGYDRNSYYQI-RHSMWYFYSA-N 1 0 312.404 3.116 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000163318147 523830106 /nfs/dbraw/zinc/83/01/06/523830106.db2.gz AKFBHLHABQHOOK-GXTWGEPZSA-N 1 0 314.832 3.241 10 0 DGAERO CNC(=O)Cc1nc(C[N@@H+]2CCCC[C@H]2CCC(C)C)cs1 ZINC000158162853 524075883 /nfs/dbraw/zinc/07/58/83/524075883.db2.gz CONULYDRKPQYEN-HNNXBMFYSA-N 1 0 323.506 3.222 10 0 DGAERO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000444788472 534818682 /nfs/dbraw/zinc/81/86/82/534818682.db2.gz VRMQDCSPVVOYGG-INIZCTEOSA-N 1 0 300.446 3.061 10 0 DGAERO C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000154411648 525096058 /nfs/dbraw/zinc/09/60/58/525096058.db2.gz FJSCVNXMJFKJHS-SLEUVZQESA-N 1 0 321.852 3.325 10 0 DGAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237678378 525444814 /nfs/dbraw/zinc/44/48/14/525444814.db2.gz ZUQXLOPWGUMOON-MOPGFXCFSA-N 1 0 312.457 3.089 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccco1 ZINC000157243505 525447533 /nfs/dbraw/zinc/44/75/33/525447533.db2.gz BCCUVJMQOIRXSA-ZNMIVQPWSA-N 1 0 315.417 3.139 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C1CCCC1 ZINC000157251705 525447608 /nfs/dbraw/zinc/44/76/08/525447608.db2.gz BZDAUNMQBQJIKJ-XHSDSOJGSA-N 1 0 317.477 3.364 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1OC(F)(F)F ZINC000154527398 525480169 /nfs/dbraw/zinc/48/01/69/525480169.db2.gz WLADQPCXVDTTRT-NEPJUHHUSA-N 1 0 302.340 3.330 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@H]1CCCO1)CCCO2 ZINC000163502070 526191364 /nfs/dbraw/zinc/19/13/64/526191364.db2.gz LECVVQVJZBJEDI-AEFFLSMTSA-N 1 0 319.445 3.384 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)CCCO2 ZINC000158250176 526194632 /nfs/dbraw/zinc/19/46/32/526194632.db2.gz QEZLZDVKHCYRNJ-MJGOQNOKSA-N 1 0 311.425 3.402 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732224 526222083 /nfs/dbraw/zinc/22/20/83/526222083.db2.gz LEQGTGPYXRCLHR-OAGGEKHMSA-N 1 0 302.466 3.250 10 0 DGAERO Brc1cc(C[NH2+]Cc2ccoc2)cc2c1OCCO2 ZINC000132377853 526637075 /nfs/dbraw/zinc/63/70/75/526637075.db2.gz PCTLRKDGXGQLAO-UHFFFAOYSA-N 1 0 324.174 3.103 10 0 DGAERO Brc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415058275 526639400 /nfs/dbraw/zinc/63/94/00/526639400.db2.gz VHZIDBGEHUOBJZ-ZBFHGGJFSA-N 1 0 323.278 3.413 10 0 DGAERO Brc1cccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054582 526645837 /nfs/dbraw/zinc/64/58/37/526645837.db2.gz QABOXMFKDUUDGE-GOEBONIOSA-N 1 0 323.278 3.413 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000154547541 527142511 /nfs/dbraw/zinc/14/25/11/527142511.db2.gz YLWNNFJPXVRVGP-XHSDSOJGSA-N 1 0 310.482 3.009 10 0 DGAERO O=C(Nc1ccc(F)cc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000154829819 527207979 /nfs/dbraw/zinc/20/79/79/527207979.db2.gz MCMXQBMMLITMQQ-GFCCVEGCSA-N 1 0 311.788 3.181 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1Cl ZINC000415446717 527302723 /nfs/dbraw/zinc/30/27/23/527302723.db2.gz KHUPMDMSLBEMCW-SNVBAGLBSA-N 1 0 323.824 3.134 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000415437164 527306258 /nfs/dbraw/zinc/30/62/58/527306258.db2.gz AFWBZSYGIAFTEA-INIZCTEOSA-N 1 0 323.824 3.054 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCC1CCOCC1)CC2 ZINC000432783748 527339643 /nfs/dbraw/zinc/33/96/43/527339643.db2.gz LFELLLKOAGUILA-UHFFFAOYSA-N 1 0 301.430 3.107 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1(N2CCOCC2)CC1 ZINC000434788546 527498672 /nfs/dbraw/zinc/49/86/72/527498672.db2.gz VAVQZABFMZSCHR-QINSGFPZSA-N 1 0 320.864 3.198 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCO[C@H](c2cncn2C)C1 ZINC000328652247 527507193 /nfs/dbraw/zinc/50/71/93/527507193.db2.gz WGNCESWMGYPPKA-BYXKJISOSA-N 1 0 311.429 3.333 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)c2nc(-c3ccccc3)ns2)[C@@H](C)C1 ZINC000302309049 527759619 /nfs/dbraw/zinc/75/96/19/527759619.db2.gz RWSJTMWTNHRDPA-DZGCQCFKSA-N 1 0 316.474 3.372 10 0 DGAERO CCO[C@@H]1C[C@](CO)([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1(C)C ZINC000438331693 527977427 /nfs/dbraw/zinc/97/74/27/527977427.db2.gz OZXKJJMBNDLYRV-SOAMZJECSA-N 1 0 317.473 3.478 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000435138781 528222869 /nfs/dbraw/zinc/22/28/69/528222869.db2.gz LYTWQXKGJUKRBH-HDMKZQKVSA-N 1 0 318.436 3.452 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2ccccc2C)C[C@H]1CC ZINC000175905285 528751861 /nfs/dbraw/zinc/75/18/61/528751861.db2.gz NGOXPKGBLSIBBV-HXUWFJFHSA-N 1 0 318.505 3.360 10 0 DGAERO CC[N@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CCOC1 ZINC000310551332 528787027 /nfs/dbraw/zinc/78/70/27/528787027.db2.gz UOUZBNYBUOGDDC-LLVKDONJSA-N 1 0 302.187 3.199 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000176029985 529055811 /nfs/dbraw/zinc/05/58/11/529055811.db2.gz AUFPZJPOQDSZNM-SNVBAGLBSA-N 1 0 318.314 3.059 10 0 DGAERO CC[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443617386 529301324 /nfs/dbraw/zinc/30/13/24/529301324.db2.gz WLFPHNQTEOQJNJ-ZIAGYGMSSA-N 1 0 301.352 3.483 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000449589467 534954189 /nfs/dbraw/zinc/95/41/89/534954189.db2.gz MXGFSSSLORCSTM-DLBZAZTESA-N 1 0 319.445 3.283 10 0 DGAERO CC(C)[NH+](CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C)C(C)C ZINC000471481793 535068721 /nfs/dbraw/zinc/06/87/21/535068721.db2.gz VZGOJGMHKIVHOV-OLZOCXBDSA-N 1 0 323.403 3.088 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H](C)OC)[C@H]1Sc1ccccc1 ZINC000459560028 535416158 /nfs/dbraw/zinc/41/61/58/535416158.db2.gz JGIGVQRMHPICJB-PVTMVUMOSA-N 1 0 309.475 3.338 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C)cc2C)o1 ZINC000046342548 545681947 /nfs/dbraw/zinc/68/19/47/545681947.db2.gz QSNAGWLDKKSGHT-MRXNPFEDSA-N 1 0 303.402 3.077 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)NCCc1ccc(Cl)cc1Cl ZINC000054305705 545698516 /nfs/dbraw/zinc/69/85/16/545698516.db2.gz CAJRAZONEJMMAY-LLVKDONJSA-N 1 0 315.244 3.042 10 0 DGAERO Cc1ccccc1[C@@H](C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000073046501 545711935 /nfs/dbraw/zinc/71/19/35/545711935.db2.gz HWLOBPNCOLRXBA-MRXNPFEDSA-N 1 0 303.450 3.231 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455276 545814522 /nfs/dbraw/zinc/81/45/22/545814522.db2.gz FOWIVJMAVJBUCA-NWDGAFQWSA-N 1 0 315.244 3.327 10 0 DGAERO CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089454805 545814844 /nfs/dbraw/zinc/81/48/44/545814844.db2.gz NZLZJUXMZLGWMK-AAEUAGOBSA-N 1 0 310.825 3.442 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455211 545814876 /nfs/dbraw/zinc/81/48/76/545814876.db2.gz PVGWKNOMSWMADP-CMPLNLGQSA-N 1 0 315.244 3.327 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1C(F)(F)F ZINC000089460904 545815101 /nfs/dbraw/zinc/81/51/01/545815101.db2.gz WYRDQDPSFXRSGP-ZYHUDNBSSA-N 1 0 300.324 3.327 10 0 DGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000091479750 545836636 /nfs/dbraw/zinc/83/66/36/545836636.db2.gz MSWGYARBOBELHM-JQWIXIFHSA-N 1 0 300.324 3.327 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ncc(Br)s1 ZINC000126426531 545921523 /nfs/dbraw/zinc/92/15/23/545921523.db2.gz FWTQXTFQHNUFOT-RKDXNWHRSA-N 1 0 305.241 3.125 10 0 DGAERO Fc1ccccc1SCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152240236 546002048 /nfs/dbraw/zinc/00/20/48/546002048.db2.gz DNQOKOPPFRGAQN-OAHLLOKOSA-N 1 0 318.417 3.466 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000163834288 546084309 /nfs/dbraw/zinc/08/43/09/546084309.db2.gz ULEQAWFJICKLEA-PMACEKPBSA-N 1 0 312.457 3.137 10 0 DGAERO CSc1ccc(OCC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000173528918 546104356 /nfs/dbraw/zinc/10/43/56/546104356.db2.gz OWJARAVQFZIGKT-GJZGRUSLSA-N 1 0 308.491 3.202 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)cc1F ZINC000176274055 546115780 /nfs/dbraw/zinc/11/57/80/546115780.db2.gz BELDHNAFHFNMQW-LSDHHAIUSA-N 1 0 314.404 3.490 10 0 DGAERO Brc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000177101413 546119743 /nfs/dbraw/zinc/11/97/43/546119743.db2.gz ZTKGLKGDDBLEJF-CQSZACIVSA-N 1 0 320.234 3.310 10 0 DGAERO Brc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000177100559 546119988 /nfs/dbraw/zinc/11/99/88/546119988.db2.gz PWFIKNAFTPJXBP-HNNXBMFYSA-N 1 0 320.234 3.310 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2nc3ccccc3nc2C)s1 ZINC000179468172 546135910 /nfs/dbraw/zinc/13/59/10/546135910.db2.gz LVAPMJKQUYYCSC-UHFFFAOYSA-N 1 0 312.442 3.378 10 0 DGAERO O[C@@H](CN[C@@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044687 546140902 /nfs/dbraw/zinc/14/09/02/546140902.db2.gz DKHHZRMFOCPZOX-ZWKOTPCHSA-N 1 0 322.880 3.228 10 0 DGAERO COc1ccc(C[NH2+][C@@H](C)c2c[nH]nc2C)cc1OC(F)F ZINC000180048489 546141536 /nfs/dbraw/zinc/14/15/36/546141536.db2.gz UJGJESUJCAXNOZ-VIFPVBQESA-N 1 0 311.332 3.179 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccc(F)c(Cl)c1 ZINC000180721683 546147894 /nfs/dbraw/zinc/14/78/94/546147894.db2.gz NRPYULQBEGNSGR-JTQLQIEISA-N 1 0 324.827 3.435 10 0 DGAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180731229 546149094 /nfs/dbraw/zinc/14/90/94/546149094.db2.gz GYVHMPVVKCJHIR-QWRGUYRKSA-N 1 0 300.805 3.290 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1C ZINC000181303577 546155282 /nfs/dbraw/zinc/15/52/82/546155282.db2.gz LMWBBQQVWNCVGG-JKSUJKDBSA-N 1 0 303.450 3.091 10 0 DGAERO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc(C)c(F)c2)no1 ZINC000181340813 546155523 /nfs/dbraw/zinc/15/55/23/546155523.db2.gz FLEFTOAKCIXURI-LBPRGKRZSA-N 1 0 305.353 3.110 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1C ZINC000181303597 546155715 /nfs/dbraw/zinc/15/57/15/546155715.db2.gz LMWBBQQVWNCVGG-HOTGVXAUSA-N 1 0 303.450 3.091 10 0 DGAERO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000181401392 546157288 /nfs/dbraw/zinc/15/72/88/546157288.db2.gz NRCHYKTXUHHWET-HNNXBMFYSA-N 1 0 306.450 3.240 10 0 DGAERO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000183005454 546170738 /nfs/dbraw/zinc/17/07/38/546170738.db2.gz YQXWEJFQIUQRMP-SNVBAGLBSA-N 1 0 309.884 3.265 10 0 DGAERO Cc1csc(=O)n1CC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000183007510 546171088 /nfs/dbraw/zinc/17/10/88/546171088.db2.gz YASAMPGIWDZSPK-VIFPVBQESA-N 1 0 302.852 3.284 10 0 DGAERO C[C@@H]([NH2+]Cc1csc(Cc2ccccc2)n1)[C@@H]1CCCO1 ZINC000183173676 546173014 /nfs/dbraw/zinc/17/30/14/546173014.db2.gz VAWJWKXDPIARHU-CJNGLKHVSA-N 1 0 302.443 3.391 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183192065 546173421 /nfs/dbraw/zinc/17/34/21/546173421.db2.gz NRSRTGDABZGFGT-JKSUJKDBSA-N 1 0 304.434 3.179 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(CO)CCC1 ZINC000184522969 546182984 /nfs/dbraw/zinc/18/29/84/546182984.db2.gz HCPKOZKXDLNFNP-CYBMUJFWSA-N 1 0 313.388 3.361 10 0 DGAERO c1cc2cnccc2c(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186480045 546195008 /nfs/dbraw/zinc/19/50/08/546195008.db2.gz GOYAHSMAXFGRHR-UHFFFAOYSA-N 1 0 314.454 3.333 10 0 DGAERO CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H]3Cn3ccnc3)c2O1 ZINC000188411060 546205176 /nfs/dbraw/zinc/20/51/76/546205176.db2.gz MKGVUNGIDLTTGH-KRWDZBQOSA-N 1 0 311.429 3.261 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000225807520 546267874 /nfs/dbraw/zinc/26/78/74/546267874.db2.gz NJLHUJZQXVJABL-UWVGGRQHSA-N 1 0 323.289 3.426 10 0 DGAERO COC[C@@H](C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)OC ZINC000227716268 546268448 /nfs/dbraw/zinc/26/84/48/546268448.db2.gz ZFKDHBYJIRDBGC-RKDXNWHRSA-N 1 0 310.196 3.445 10 0 DGAERO OC1CCC(C[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000227771381 546269066 /nfs/dbraw/zinc/26/90/66/546269066.db2.gz AYVMLMBTKXYIGS-UHFFFAOYSA-N 1 0 316.214 3.229 10 0 DGAERO COC[C@@H](C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)OC ZINC000227716259 546269108 /nfs/dbraw/zinc/26/91/08/546269108.db2.gz ZFKDHBYJIRDBGC-DTWKUNHWSA-N 1 0 310.196 3.445 10 0 DGAERO CC(C)=CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000229114272 546271019 /nfs/dbraw/zinc/27/10/19/546271019.db2.gz FUMFDKZOXYMFEU-NSHDSACASA-N 1 0 304.217 3.289 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000236534646 546279214 /nfs/dbraw/zinc/27/92/14/546279214.db2.gz LUOLFOWQBGWJNS-GHMZBOCLSA-N 1 0 318.642 3.496 10 0 DGAERO Cc1nc(NCc2ccc3c(c2)C[NH2+]C3)ccc1Br ZINC000235999325 546279745 /nfs/dbraw/zinc/27/97/45/546279745.db2.gz POTQTZTUUODUQW-UHFFFAOYSA-N 1 0 318.218 3.368 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000245575917 546297829 /nfs/dbraw/zinc/29/78/29/546297829.db2.gz FPOHQVKFPLGZJT-AEFFLSMTSA-N 1 0 316.489 3.447 10 0 DGAERO COc1ccc([C@H](C)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000245950720 546301281 /nfs/dbraw/zinc/30/12/81/546301281.db2.gz WXCQFXYWTPRILB-SUMDDJOVSA-N 1 0 303.446 3.426 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc3ccccc3nc2C)[C@@H](C)C1 ZINC000246448327 546304317 /nfs/dbraw/zinc/30/43/17/546304317.db2.gz FBXLKSQHCBMPTF-IFXJQAMLSA-N 1 0 312.461 3.100 10 0 DGAERO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248603860 546318795 /nfs/dbraw/zinc/31/87/95/546318795.db2.gz OPSJCCKNPCQYBH-JKIFEVAISA-N 1 0 318.461 3.296 10 0 DGAERO Cc1c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ccn1C ZINC000248666280 546320025 /nfs/dbraw/zinc/32/00/25/546320025.db2.gz NOLICQYUWHAWDM-NVXWUHKLSA-N 1 0 317.477 3.060 10 0 DGAERO Cc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1C ZINC000261808103 546338384 /nfs/dbraw/zinc/33/83/84/546338384.db2.gz ROLWQYMCNPXZLQ-JQHSSLGASA-N 1 0 300.446 3.484 10 0 DGAERO CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261773309 546338461 /nfs/dbraw/zinc/33/84/61/546338461.db2.gz OOAXRXZNKGFFGW-ZIAGYGMSSA-N 1 0 314.429 3.329 10 0 DGAERO [NH3+]CCN(Cc1ncc(C(F)(F)F)s1)Cc1ccccc1 ZINC000261968506 546339130 /nfs/dbraw/zinc/33/91/30/546339130.db2.gz QCUZAKIOTVJSHF-UHFFFAOYSA-N 1 0 315.364 3.123 10 0 DGAERO C[C@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)[C@@H]1C[NH3+] ZINC000261975715 546339210 /nfs/dbraw/zinc/33/92/10/546339210.db2.gz QQJZCYUGAUNZIG-BLLLJJGKSA-N 1 0 303.381 3.040 10 0 DGAERO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000309684331 546451396 /nfs/dbraw/zinc/45/13/96/546451396.db2.gz BJYCEKMPEJFPGV-OKYOBFRVSA-N 1 0 312.457 3.061 10 0 DGAERO C[C@H](CC[NH2+]Cc1cc(Cl)sc1Cl)[S@](C)=O ZINC000312601335 546453376 /nfs/dbraw/zinc/45/33/76/546453376.db2.gz LZFUBEATAAXGPW-QZTNRIJFSA-N 1 0 300.276 3.302 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000312278951 546453451 /nfs/dbraw/zinc/45/34/51/546453451.db2.gz SHIHYTSFIVHOGX-IINYFYTJSA-N 1 0 316.214 3.229 10 0 DGAERO c1oc(-c2ccccc2)nc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321966153 546472814 /nfs/dbraw/zinc/47/28/14/546472814.db2.gz JPOSFULDIXWAED-SJLPKXTDSA-N 1 0 311.429 3.306 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000324289239 546478298 /nfs/dbraw/zinc/47/82/98/546478298.db2.gz RKQIPSFXSIAXRA-BXUZGUMPSA-N 1 0 314.267 3.377 10 0 DGAERO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccccc3Cl)n1)OC2 ZINC000329685019 546490616 /nfs/dbraw/zinc/49/06/16/546490616.db2.gz UMMZYRUAXWINCM-BBRMVZONSA-N 1 0 319.792 3.316 10 0 DGAERO Cc1[nH+]ccc(NCc2ncc(Cl)s2)c1Br ZINC000381570166 546740949 /nfs/dbraw/zinc/74/09/49/546740949.db2.gz WUTSXNALECNXKB-UHFFFAOYSA-N 1 0 318.627 3.296 10 0 DGAERO COc1ccc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000381802872 546740981 /nfs/dbraw/zinc/74/09/81/546740981.db2.gz UVNVTFSZRTVLQA-WBVHZDCISA-N 1 0 311.429 3.413 10 0 DGAERO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000383516955 546742192 /nfs/dbraw/zinc/74/21/92/546742192.db2.gz HQDZYXJYZSUIKV-XUVXKRRUSA-N 1 0 320.436 3.327 10 0 DGAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388587704 546749295 /nfs/dbraw/zinc/74/92/95/546749295.db2.gz HJOQQJRVPMXCNZ-AABGKKOBSA-N 1 0 316.489 3.134 10 0 DGAERO O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408107768 546768794 /nfs/dbraw/zinc/76/87/94/546768794.db2.gz YTIWARIRBBFRGY-KRWDZBQOSA-N 1 0 324.428 3.384 10 0 DGAERO COC[C@@H](CCO)[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000484136925 546913189 /nfs/dbraw/zinc/91/31/89/546913189.db2.gz RJGQKHOJKLDQKU-RTBURBONSA-N 1 0 305.462 3.165 10 0 DGAERO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000588489575 547026990 /nfs/dbraw/zinc/02/69/90/547026990.db2.gz NDXONHSAJLBCFL-BAHPRDJBSA-N 1 0 300.377 3.304 10 0 DGAERO C[NH+](C)CCCN1c2ccccc2S(=O)c2ccccc21 ZINC000032209980 571743868 /nfs/dbraw/zinc/74/38/68/571743868.db2.gz KSHDHDWHIWBNHA-UHFFFAOYSA-N 1 0 300.427 3.257 10 0 endogenous,world DGAERO CCCCCCOCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000730772437 574535699 /nfs/dbraw/zinc/53/56/99/574535699.db2.gz NDHFTKFZAUFBDF-WMZOPIPTSA-N 1 0 312.498 3.210 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)/C=C\c2cc(C)c(C)cc2C)C1 ZINC000730936162 574539257 /nfs/dbraw/zinc/53/92/57/574539257.db2.gz KHBNECCYMAHGGP-JTGQJZMRSA-N 1 0 300.446 3.083 10 0 DGAERO c1cn(-c2cc(C[NH2+]Cc3ccc4ncccc4c3)ccn2)cn1 ZINC000731451310 574549938 /nfs/dbraw/zinc/54/99/38/574549938.db2.gz LLOBNYPZNCSEGC-UHFFFAOYSA-N 1 0 315.380 3.105 10 0 DGAERO CCCCCCOCC(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000731469793 574550198 /nfs/dbraw/zinc/55/01/98/574550198.db2.gz XPYYZDFQDWGGKL-QGZVFWFLSA-N 1 0 318.461 3.103 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2cccc(F)c2F)C1 ZINC000675052775 563855977 /nfs/dbraw/zinc/85/59/77/563855977.db2.gz DYZOUXSBCBDDPV-ZWNOBZJWSA-N 1 0 312.360 3.283 10 0 DGAERO C/C(=C/C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Cl ZINC000732034327 574565133 /nfs/dbraw/zinc/56/51/33/574565133.db2.gz GBJDHSABBNAPPK-BMOGTNHUSA-N 1 0 318.848 3.438 10 0 DGAERO CC[NH+]1CCC(N(C)C(=O)/C=C(/C)c2cccc(F)c2)CC1 ZINC000732067528 574565881 /nfs/dbraw/zinc/56/58/81/574565881.db2.gz NLLJMOCRNKGNDQ-OWBHPGMISA-N 1 0 304.409 3.172 10 0 DGAERO C/C(=C\C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)c1cccc(F)c1 ZINC000732061477 574565994 /nfs/dbraw/zinc/56/59/94/574565994.db2.gz LTUVYRQWXRJAGC-DXEYKMMJSA-N 1 0 318.436 3.466 10 0 DGAERO O=C1[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)CCN1c1ccccc1 ZINC000732227261 574568996 /nfs/dbraw/zinc/56/89/96/574568996.db2.gz AUGMAASOANOVSD-LPHOPBHVSA-N 1 0 306.409 3.112 10 0 DGAERO C/C(=C/C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1cccc(F)c1 ZINC000732306492 574571346 /nfs/dbraw/zinc/57/13/46/574571346.db2.gz XTPSZZQPUKTUIE-OOXMNIKJSA-N 1 0 306.425 3.322 10 0 DGAERO C/C(=C\C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1cccc(F)c1 ZINC000733770120 574638226 /nfs/dbraw/zinc/63/82/26/574638226.db2.gz UPQGWOWHYLVAJC-ACCUITESSA-N 1 0 322.343 3.448 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000734139788 574652951 /nfs/dbraw/zinc/65/29/51/574652951.db2.gz ZTNRVJHVPHHVBO-JSGCOSHPSA-N 1 0 317.458 3.348 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)C(C)(C)C)CC1 ZINC000734674809 574672820 /nfs/dbraw/zinc/67/28/20/574672820.db2.gz QFNMWVPMJFJHTA-OAHLLOKOSA-N 1 0 311.514 3.432 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=S)NC(C2CC2)C2CC2)CC1 ZINC000734755934 574676019 /nfs/dbraw/zinc/67/60/19/574676019.db2.gz CXZXKWUPGCDVDE-UHFFFAOYSA-N 1 0 323.550 3.103 10 0 DGAERO CC[S@](=O)CC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000735084773 574688245 /nfs/dbraw/zinc/68/82/45/574688245.db2.gz SZANSZSWFKNEQY-FQEVSTJZSA-N 1 0 311.834 3.458 10 0 DGAERO CC[C@@H]1CCC[N@H+](Cn2ncc3cc(C(=O)OC)ccc32)CC1 ZINC000738254770 574863145 /nfs/dbraw/zinc/86/31/45/574863145.db2.gz MLXKGOHCWQUVSN-CQSZACIVSA-N 1 0 315.417 3.293 10 0 DGAERO CC(=O)c1ccc(NC(=S)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000741493320 574959732 /nfs/dbraw/zinc/95/97/32/574959732.db2.gz SFHVIWUMIQEQHP-LRDDRELGSA-N 1 0 319.474 3.001 10 0 DGAERO Cc1cn2c([nH+]1)N[C@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000236043820 575839423 /nfs/dbraw/zinc/83/94/23/575839423.db2.gz SHLMSQSJERUWKQ-KGLIPLIRSA-N 1 0 320.437 3.023 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1sccc1Br ZINC000218307814 575917390 /nfs/dbraw/zinc/91/73/90/575917390.db2.gz VUVREVGPWRPHNZ-LPEHRKFASA-N 1 0 304.253 3.465 10 0 DGAERO Cc1cc(C[NH2+][C@@](C)(CO)C(C)C)ccc1Br ZINC000398493336 575963539 /nfs/dbraw/zinc/96/35/39/575963539.db2.gz DGTHDIHNXMJQDR-AWEZNQCLSA-N 1 0 300.240 3.254 10 0 DGAERO CSCC[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000726693027 576037246 /nfs/dbraw/zinc/03/72/46/576037246.db2.gz PYXBZOGVIVAKMG-CHWSQXEVSA-N 1 0 302.484 3.117 10 0 DGAERO C[C@@H](CNC(=O)c1c[nH]c2cc(Cl)ccc12)[NH+]1CCCCC1 ZINC000726982386 576091104 /nfs/dbraw/zinc/09/11/04/576091104.db2.gz RXONDNZEXIRDHU-LBPRGKRZSA-N 1 0 319.836 3.426 10 0 DGAERO Cc1cc(NC(=O)C[C@H]2CC[NH2+]C2)cc(C)c1Br ZINC000232036422 576163931 /nfs/dbraw/zinc/16/39/31/576163931.db2.gz ICGXWHJAZMTGEI-LLVKDONJSA-N 1 0 311.223 3.004 10 0 DGAERO CC[C@@H](C)OCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000154278457 620655838 /nfs/dbraw/zinc/65/58/38/620655838.db2.gz IMGHZGUHYIDGFN-SJLPKXTDSA-N 1 0 319.445 3.257 10 0 DGAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000154307679 620659879 /nfs/dbraw/zinc/65/98/79/620659879.db2.gz WBVIRNDDDXPUGX-HNNXBMFYSA-N 1 0 311.491 3.361 10 0 DGAERO C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)nc3ccccc23)C1 ZINC000154651790 620698407 /nfs/dbraw/zinc/69/84/07/620698407.db2.gz BKJQDRVERJYBTH-CQSZACIVSA-N 1 0 303.837 3.414 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccccc3Cl)CC[C@@H]21 ZINC000154775699 620717171 /nfs/dbraw/zinc/71/71/71/620717171.db2.gz VWYFSYCNYDAPSV-HMOMSXHPSA-N 1 0 318.848 3.296 10 0 DGAERO C[C@H](CCO)[NH2+][C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000223308827 618624845 /nfs/dbraw/zinc/62/48/45/618624845.db2.gz CLSBMDJIZDLCQE-WBMJQRKESA-N 1 0 320.433 3.381 10 0 DGAERO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)ccc1F ZINC000153113389 620533819 /nfs/dbraw/zinc/53/38/19/620533819.db2.gz ORQPJCKKZXFICR-BLLLJJGKSA-N 1 0 319.376 3.227 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)ccc1F ZINC000153258045 620544719 /nfs/dbraw/zinc/54/47/19/620544719.db2.gz MPDFSDGNMXQIFC-BDJLRTHQSA-N 1 0 307.340 3.358 10 0 DGAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccnc2ccccc12 ZINC000153909634 620621757 /nfs/dbraw/zinc/62/17/57/620621757.db2.gz WEGGDXTWUKKGGS-SGQUHAKNSA-N 1 0 323.440 3.047 10 0 DGAERO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CC[C@@H](C)O ZINC000114771864 621045183 /nfs/dbraw/zinc/04/51/83/621045183.db2.gz QKSJDFUWUWJKAX-CYBMUJFWSA-N 1 0 321.852 3.311 10 0 DGAERO CC(C)OCCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989963 621071601 /nfs/dbraw/zinc/07/16/01/621071601.db2.gz NPDHRQZRAWTVLH-SFHVURJKSA-N 1 0 319.445 3.257 10 0 DGAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2nccn2C)c(C)o1 ZINC000858007972 621143431 /nfs/dbraw/zinc/14/34/31/621143431.db2.gz HCAVNXHCDOQMSM-UKPHBRMFSA-N 1 0 317.433 3.448 10 0 DGAERO Cc1ccc(-c2cnn(C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)c2)cc1 ZINC000116257496 621214475 /nfs/dbraw/zinc/21/44/75/621214475.db2.gz ZHEVQFOUARIBLR-QGZVFWFLSA-N 1 0 321.428 3.039 10 0 DGAERO S=c1oc2ccc(Cl)cc2n1CN1CC[NH+](C2CC2)CC1 ZINC000129115610 625506454 /nfs/dbraw/zinc/50/64/54/625506454.db2.gz RFTOLQRGBDNPAL-UHFFFAOYSA-N 1 0 323.849 3.355 10 0 DGAERO C[C@@H](CSC(C)(C)C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000119769911 621725492 /nfs/dbraw/zinc/72/54/92/621725492.db2.gz SYIQVXMFYLJYMB-LBPRGKRZSA-N 1 0 304.500 3.411 10 0 DGAERO CCCCCCOc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000119923824 621754152 /nfs/dbraw/zinc/75/41/52/621754152.db2.gz WLYIHFDBINDYKR-QGZVFWFLSA-N 1 0 318.461 3.356 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000124036303 622882908 /nfs/dbraw/zinc/88/29/08/622882908.db2.gz QSWIMBGHDKBFJC-MRXNPFEDSA-N 1 0 309.841 3.265 10 0 DGAERO C/C(=C/C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000129415818 625622973 /nfs/dbraw/zinc/62/29/73/625622973.db2.gz KSWKURXBYMLCMS-HGQXMQDGSA-N 1 0 304.821 3.143 10 0 DGAERO COCCCCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000126488717 623864100 /nfs/dbraw/zinc/86/41/00/623864100.db2.gz YLJSOTJUHABKAB-UHFFFAOYSA-N 1 0 319.445 3.259 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129639780 625709489 /nfs/dbraw/zinc/70/94/89/625709489.db2.gz NFRFOPBTFFZOCZ-WYMLVPIESA-N 1 0 318.436 3.466 10 0 DGAERO COC(=O)C1CC[NH+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000128230469 624802149 /nfs/dbraw/zinc/80/21/49/624802149.db2.gz MGQCWHILPJOFSO-UHFFFAOYSA-N 1 0 318.804 3.273 10 0 DGAERO C[C@H](O)C1CC[NH+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000128610958 625050280 /nfs/dbraw/zinc/05/02/80/625050280.db2.gz YOGPDCMUOHZPMQ-LBPRGKRZSA-N 1 0 304.821 3.481 10 0 DGAERO CCCCC[N@H+](CC(N)=O)Cc1cc(Cl)nc2ccccc12 ZINC000130110971 625814225 /nfs/dbraw/zinc/81/42/25/625814225.db2.gz DCPHZVHHJDJZMA-UHFFFAOYSA-N 1 0 319.836 3.366 10 0 DGAERO C[C@@H]1C[N@H+](CC2(O)CCCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000131470470 626640952 /nfs/dbraw/zinc/64/09/52/626640952.db2.gz WBIBOAAHRYXMKV-RHSMWYFYSA-N 1 0 307.409 3.283 10 0 DGAERO CC[C@H](CSC)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000132604464 626729350 /nfs/dbraw/zinc/72/93/50/626729350.db2.gz ZSXIJRZRCCWFJU-OLZOCXBDSA-N 1 0 307.381 3.470 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@H](C(F)(F)F)C2 ZINC000757187429 626754112 /nfs/dbraw/zinc/75/41/12/626754112.db2.gz ZSBOPRBBDJQJHZ-MJVIPROJSA-N 1 0 307.356 3.286 10 0 DGAERO Cc1cnc(=S)n(CN(CCc2nccs2)C(C)C)c1 ZINC000133927345 626846871 /nfs/dbraw/zinc/84/68/71/626846871.db2.gz AEYMVWDQYSQCBC-UHFFFAOYSA-N 1 0 308.476 3.288 10 0 DGAERO Fc1ccc(SCc2noc(CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000134617861 626883749 /nfs/dbraw/zinc/88/37/49/626883749.db2.gz BJMJWVXFMCQGKE-NSHDSACASA-N 1 0 307.394 3.043 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2cnn(C)c2)c(C)o1 ZINC000886080409 627100142 /nfs/dbraw/zinc/10/01/42/627100142.db2.gz REPHCLZCPZTKNM-DHSIGJKJSA-N 1 0 317.433 3.448 10 0 DGAERO C[C@@H]1SCC[C@@H]1[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000220649765 627203914 /nfs/dbraw/zinc/20/39/14/627203914.db2.gz PXKFNZPVJMFWET-IHRRRGAJSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)OC(C)(C)C ZINC000222091688 627234282 /nfs/dbraw/zinc/23/42/82/627234282.db2.gz ZZTTWWBDOIYNLW-LLVKDONJSA-N 1 0 314.376 3.358 10 0 DGAERO Cc1sc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1Br ZINC000301041552 627286516 /nfs/dbraw/zinc/28/65/16/627286516.db2.gz WOSYMXSGPJHRQX-UFBFGSQYSA-N 1 0 304.253 3.334 10 0 DGAERO C[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000223376744 627287898 /nfs/dbraw/zinc/28/78/98/627287898.db2.gz UOTAXPQTCGUAQK-WDEREUQCSA-N 1 0 310.360 3.316 10 0 DGAERO CN(C)c1ncccc1C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000105418683 630709901 /nfs/dbraw/zinc/70/99/01/630709901.db2.gz LXKPSVJNGSSDNK-UHFFFAOYSA-N 1 0 311.429 3.151 10 0 DGAERO CC(C)Oc1cccc(C[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000105433514 630710096 /nfs/dbraw/zinc/71/00/96/630710096.db2.gz QZKBKVGKPVHCDA-UHFFFAOYSA-N 1 0 322.449 3.478 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000105433512 630710100 /nfs/dbraw/zinc/71/01/00/630710100.db2.gz SBHFNGYNNMVPGQ-UHFFFAOYSA-N 1 0 316.804 3.484 10 0 DGAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000109502279 632210773 /nfs/dbraw/zinc/21/07/73/632210773.db2.gz VMCGJBYWRYTNAU-GFCCVEGCSA-N 1 0 314.216 3.493 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1cc(Cl)ccc1O ZINC000185015382 660198808 /nfs/dbraw/zinc/19/88/08/660198808.db2.gz WNJGKMFYXCQUTA-NSHDSACASA-N 1 0 305.809 3.357 10 0 DGAERO C[C@H](NCc1cscn1)c1ccc(Br)cc1O ZINC000185246694 660211534 /nfs/dbraw/zinc/21/15/34/660211534.db2.gz VEVJWNJUPGSPKU-QMMMGPOBSA-N 1 0 313.220 3.462 10 0 DGAERO Cc1cc(Cl)cc(C[NH2+]CCOc2ccc(C#N)cc2)c1O ZINC000182481052 660056585 /nfs/dbraw/zinc/05/65/85/660056585.db2.gz CNLVOBJIDSYSFZ-UHFFFAOYSA-N 1 0 316.788 3.394 10 0 DGAERO COC(C)(C)CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227663297 660333976 /nfs/dbraw/zinc/33/39/76/660333976.db2.gz NTOXAOJXBZXQBY-CQSZACIVSA-N 1 0 314.470 3.038 10 0 DGAERO C[N@H+](CCOc1ccccc1)C[C@H](O)c1cc(F)ccc1F ZINC000132080580 660479996 /nfs/dbraw/zinc/47/99/96/660479996.db2.gz JIEXIWCTLUPBLC-KRWDZBQOSA-N 1 0 307.340 3.009 10 0 DGAERO CCC(F)(F)C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000700201238 660616027 /nfs/dbraw/zinc/61/60/27/660616027.db2.gz CEXBPHBRMIWXEL-VXGBXAGGSA-N 1 0 306.397 3.315 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000700083134 660612160 /nfs/dbraw/zinc/61/21/60/660612160.db2.gz TXYGUVILQTZJJA-IBEHDNSVSA-N 1 0 308.466 3.316 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cccnc1 ZINC000700730384 660633896 /nfs/dbraw/zinc/63/38/96/660633896.db2.gz NPLJOYXMFFXTPT-KCQAQPDRSA-N 1 0 305.422 3.130 10 0 DGAERO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000700991355 660647728 /nfs/dbraw/zinc/64/77/28/660647728.db2.gz WXWXSZYXUFTBCV-KCJUWKMLSA-N 1 0 320.177 3.242 10 0 DGAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccco1 ZINC000701924941 660695354 /nfs/dbraw/zinc/69/53/54/660695354.db2.gz QXVFMQRBLAILMQ-SFYCDEOASA-N 1 0 306.406 3.330 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000701935035 660693205 /nfs/dbraw/zinc/69/32/05/660693205.db2.gz LZJCKEHSQIVUTA-NSHDSACASA-N 1 0 304.381 3.021 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000701993103 660696462 /nfs/dbraw/zinc/69/64/62/660696462.db2.gz NLXPFJACDTVFNN-CLRIEMFWSA-N 1 0 314.495 3.306 10 0 DGAERO CS[C@H]1CC[C@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000701993106 660696491 /nfs/dbraw/zinc/69/64/91/660696491.db2.gz NLXPFJACDTVFNN-PQAZSJQKSA-N 1 0 314.495 3.306 10 0 DGAERO O[C@@H](C[NH2+]CCC1(F)CCC1)c1cccc(Br)c1 ZINC000702487472 660726038 /nfs/dbraw/zinc/72/60/38/660726038.db2.gz LHLULJTXDYXZIH-ZDUSSCGKSA-N 1 0 316.214 3.354 10 0 DGAERO [NH3+][C@@H]1CC=C(c2nc(Cc3ccc(Cl)c(Cl)c3)no2)C1 ZINC000702982379 660752140 /nfs/dbraw/zinc/75/21/40/660752140.db2.gz ZTZZBWDQSIDAHK-SNVBAGLBSA-N 1 0 310.184 3.472 10 0 DGAERO Cc1cc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)ccn1 ZINC000703409479 660778399 /nfs/dbraw/zinc/77/83/99/660778399.db2.gz UCTXEIUCZURIPY-UHFFFAOYSA-N 1 0 319.449 3.317 10 0 DGAERO COc1cncc(C[NH2+]Cc2ccsc2C(F)(F)F)c1 ZINC000704368283 660808623 /nfs/dbraw/zinc/80/86/23/660808623.db2.gz GDCKLZGTIAKUTI-UHFFFAOYSA-N 1 0 302.321 3.460 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]Cc2ccc(C)cn2)CCN1C(=O)OC(C)(C)C ZINC000704617389 660813350 /nfs/dbraw/zinc/81/33/50/660813350.db2.gz RQJAJBXJRDPVDH-JKSUJKDBSA-N 1 0 319.449 3.268 10 0 DGAERO Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000705530887 660837787 /nfs/dbraw/zinc/83/77/87/660837787.db2.gz QVSOFONHXZHIHW-GOEBONIOSA-N 1 0 319.449 3.125 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000705960202 660843608 /nfs/dbraw/zinc/84/36/08/660843608.db2.gz PWCGBIRRUKMBJA-KFWWJZLASA-N 1 0 314.470 3.179 10 0 DGAERO Cn1nc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)cc1Cl ZINC000706191437 660848138 /nfs/dbraw/zinc/84/81/38/660848138.db2.gz OUDGJHIQCYRULE-UHFFFAOYSA-N 1 0 320.868 3.074 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000706480571 660861350 /nfs/dbraw/zinc/86/13/50/660861350.db2.gz WJAHGQYQVIKJBX-QNWHQSFQSA-N 1 0 314.495 3.162 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000706480577 660861485 /nfs/dbraw/zinc/86/14/85/660861485.db2.gz WJAHGQYQVIKJBX-UMSGYPCISA-N 1 0 314.495 3.162 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000706555188 660864864 /nfs/dbraw/zinc/86/48/64/660864864.db2.gz HTJYTOKDNMSAOT-RWMBFGLXSA-N 1 0 318.408 3.457 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCCC12CC2)c1cccc(Br)c1 ZINC000706937076 660882214 /nfs/dbraw/zinc/88/22/14/660882214.db2.gz SBJQANAUELPXSZ-ZIAGYGMSSA-N 1 0 310.235 3.405 10 0 DGAERO Cc1ncccc1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000707836718 660916929 /nfs/dbraw/zinc/91/69/29/660916929.db2.gz ZLZFBBGZQBVFPP-UHFFFAOYSA-N 1 0 319.449 3.127 10 0 DGAERO Fc1cccc2c1SCC[C@@H]2[NH2+]CCO[C@H]1CC1(F)F ZINC000709236489 660927915 /nfs/dbraw/zinc/92/79/15/660927915.db2.gz OSUIJSOXJHRUQD-RYUDHWBXSA-N 1 0 303.349 3.376 10 0 DGAERO CC1(C)C[NH2+]C[C@@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000711170002 660940806 /nfs/dbraw/zinc/94/08/06/660940806.db2.gz UBERLCSUWHPFCD-LLVKDONJSA-N 1 0 322.206 3.212 10 0 DGAERO Fc1cc(Br)ccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000711131307 660940077 /nfs/dbraw/zinc/94/00/77/660940077.db2.gz WJYDWYVGDAWTRV-GFCCVEGCSA-N 1 0 314.198 3.389 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000711476621 660954076 /nfs/dbraw/zinc/95/40/76/660954076.db2.gz XXJOHVDXXJQQME-RFBLXINOSA-N 1 0 308.466 3.316 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711351614 660947923 /nfs/dbraw/zinc/94/79/23/660947923.db2.gz GPBJGUFWGDGXLH-HIFRSBDPSA-N 1 0 323.234 3.228 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCc2cccs2)C1 ZINC000711437124 660952313 /nfs/dbraw/zinc/95/23/13/660952313.db2.gz GPRWVXUYGZLFDX-UHFFFAOYSA-N 1 0 310.463 3.184 10 0 DGAERO Cc1cc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC000711439277 660952348 /nfs/dbraw/zinc/95/23/48/660952348.db2.gz NURQGTOHIPBEOH-XBXGTLAGSA-N 1 0 310.463 3.449 10 0 DGAERO Brc1ccoc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711832639 660963895 /nfs/dbraw/zinc/96/38/95/660963895.db2.gz KJEQZZJWONULLG-BXUZGUMPSA-N 1 0 314.223 3.337 10 0 DGAERO CC(C)CSCC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711484270 660955131 /nfs/dbraw/zinc/95/51/31/660955131.db2.gz JEZSIRQKNJLAKB-UHFFFAOYSA-N 1 0 316.511 3.269 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@]23C[C@H]2CCCC3)C1 ZINC000711502727 660955511 /nfs/dbraw/zinc/95/55/11/660955511.db2.gz CTXOKXIRNOMJGS-UUDIZGDISA-N 1 0 308.466 3.460 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cccnc3)CCC[C@H]12 ZINC000711619432 660960025 /nfs/dbraw/zinc/96/00/25/660960025.db2.gz BARHSYPVNWXZMF-MAUKXSAKSA-N 1 0 317.433 3.103 10 0 DGAERO C=CCOc1ccccc1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000077455285 655568714 /nfs/dbraw/zinc/56/87/14/655568714.db2.gz KXWIZUQLDDDTBT-INIZCTEOSA-N 1 0 319.351 3.353 10 0 DGAERO C#CCCCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000090397619 655592437 /nfs/dbraw/zinc/59/24/37/655592437.db2.gz VLDBRDSLKDEVOD-CYBMUJFWSA-N 1 0 302.809 3.375 10 0 DGAERO COc1csc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000177620227 655603209 /nfs/dbraw/zinc/60/32/09/655603209.db2.gz LPLWPKLRSZGGSN-CQSZACIVSA-N 1 0 317.410 3.188 10 0 DGAERO Cc1cc(C)cc([C@H](O)C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000160311151 655605543 /nfs/dbraw/zinc/60/55/43/655605543.db2.gz VPQIEWBEUQPBLR-QGZVFWFLSA-N 1 0 316.470 3.221 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)/C=C\c1cccs1 ZINC000255154024 655614875 /nfs/dbraw/zinc/61/48/75/655614875.db2.gz FMYGBDSGUOOQAY-BLIJAFNYSA-N 1 0 314.454 3.050 10 0 DGAERO Cc1oc(-c2ccccc2)nc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000074996871 655728179 /nfs/dbraw/zinc/72/81/79/655728179.db2.gz LYTONDKEAGJAGB-SJORKVTESA-N 1 0 311.429 3.319 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccc(Br)cn1)[C@@H]1CCCOC1 ZINC000724005951 655735355 /nfs/dbraw/zinc/73/53/55/655735355.db2.gz BFFRMRKCADPXOB-BXUZGUMPSA-N 1 0 313.239 3.139 10 0 DGAERO CC(C)(C)OCC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000308740517 655738940 /nfs/dbraw/zinc/73/89/40/655738940.db2.gz OKFDGOAHPRVDDN-UHFFFAOYSA-N 1 0 316.486 3.427 10 0 DGAERO C[C@@](O)(C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C(F)(F)C(F)(F)F ZINC000724071990 655739964 /nfs/dbraw/zinc/73/99/64/655739964.db2.gz GTKDLWFXEOEUPD-UKKRHICBSA-N 1 0 301.299 3.103 10 0 DGAERO C[C@@](O)(C[NH2+]C1CCC2(CC2)CC1)C(F)(F)C(F)(F)F ZINC000724082356 655741170 /nfs/dbraw/zinc/74/11/70/655741170.db2.gz FPYAGYVFUGNKDU-SNVBAGLBSA-N 1 0 301.299 3.247 10 0 DGAERO C[N@H+](Cc1cccs1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724096997 655741524 /nfs/dbraw/zinc/74/15/24/655741524.db2.gz RXTFJXKLLQYLHZ-SECBINFHSA-N 1 0 303.296 3.129 10 0 DGAERO Cc1ccc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000724109506 655742220 /nfs/dbraw/zinc/74/22/20/655742220.db2.gz MTAZPTCUQOWQAN-VIFPVBQESA-N 1 0 303.296 3.095 10 0 DGAERO C[C@@](O)(C[NH2+][C@@H](C1CC1)C1CCC1)C(F)(F)C(F)(F)F ZINC000724114564 655743895 /nfs/dbraw/zinc/74/38/95/655743895.db2.gz FDJBHELLUXYRPJ-GHMZBOCLSA-N 1 0 301.299 3.103 10 0 DGAERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000234595571 655745179 /nfs/dbraw/zinc/74/51/79/655745179.db2.gz AWMHXDJDPASETD-MRVPVSSYSA-N 1 0 322.630 3.200 10 0 DGAERO Cn1cc(C[NH2+]C[C@@H]2CCCC2(C)C)c(Br)n1 ZINC000712396185 661188080 /nfs/dbraw/zinc/18/80/80/661188080.db2.gz DSAXHVXUKDGNAJ-NSHDSACASA-N 1 0 300.244 3.099 10 0 DGAERO Cn1cc(C[NH2+]C[C@@H]2CCCCC2(F)F)c(Br)n1 ZINC000712489986 661188869 /nfs/dbraw/zinc/18/88/69/661188869.db2.gz DUFMDTPPCDUIHN-JTQLQIEISA-N 1 0 322.197 3.098 10 0 DGAERO Cn1cc(C[NH2+]CC(C)(C)C2CCC2)c(Br)n1 ZINC000712481658 661189098 /nfs/dbraw/zinc/18/90/98/661189098.db2.gz GHHQCVVPMGRGNC-UHFFFAOYSA-N 1 0 300.244 3.099 10 0 DGAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCCCOCc1ccccc1 ZINC000712997411 661189728 /nfs/dbraw/zinc/18/97/28/661189728.db2.gz OWJDISOIWYBJTD-QGZVFWFLSA-N 1 0 320.477 3.109 10 0 DGAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000713010887 661189807 /nfs/dbraw/zinc/18/98/07/661189807.db2.gz XBRUDZLNMYYJRI-GFCCVEGCSA-N 1 0 302.871 3.369 10 0 DGAERO C[C@@H]([NH2+]CCc1sccc1Br)c1cnn(C)c1 ZINC000713104796 661190153 /nfs/dbraw/zinc/19/01/53/661190153.db2.gz KYCVKGJMSNFNLN-SECBINFHSA-N 1 0 314.252 3.137 10 0 DGAERO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(Cl)cc1Cl ZINC000724909707 655827657 /nfs/dbraw/zinc/82/76/57/655827657.db2.gz KLRRNYHTIDRSBI-CMPLNLGQSA-N 1 0 304.217 3.450 10 0 DGAERO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(Cl)cc1Cl ZINC000724909711 655827775 /nfs/dbraw/zinc/82/77/75/655827775.db2.gz KLRRNYHTIDRSBI-ZYHUDNBSSA-N 1 0 304.217 3.450 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CC23CC(O)C3)c(C)c1Br ZINC000725002591 655845556 /nfs/dbraw/zinc/84/55/56/655845556.db2.gz XDODLXBPVYELDK-JVWICGRDSA-N 1 0 310.235 3.069 10 0 DGAERO Cn1cc(C[NH+]2CCC3(CCCC3)CC2)c(Br)n1 ZINC000713876026 661194140 /nfs/dbraw/zinc/19/41/40/661194140.db2.gz YVEMPVGKMUORLM-UHFFFAOYSA-N 1 0 312.255 3.339 10 0 DGAERO COCC1CC([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000713915810 661194682 /nfs/dbraw/zinc/19/46/82/661194682.db2.gz GUDYZAFCMGCNQZ-JHANDDDOSA-N 1 0 310.235 3.451 10 0 DGAERO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000235220901 655853028 /nfs/dbraw/zinc/85/30/28/655853028.db2.gz ZKBKQWSPXNBKJW-YWPYICTPSA-N 1 0 301.402 3.262 10 0 DGAERO CC[N@H+](Cc1cn(C)nc1Br)C1CCCCC1 ZINC000713859755 661195152 /nfs/dbraw/zinc/19/51/52/661195152.db2.gz MNSOZNLFVRBLJD-UHFFFAOYSA-N 1 0 300.244 3.337 10 0 DGAERO COCC1CC([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000713979690 661195671 /nfs/dbraw/zinc/19/56/71/661195671.db2.gz XWQFJSGNAHBOSU-UHFFFAOYSA-N 1 0 302.187 3.103 10 0 DGAERO CC[C@@H](CC1CCCCC1)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714338621 661198741 /nfs/dbraw/zinc/19/87/41/661198741.db2.gz ONGUECCPBUJBKQ-HOTGVXAUSA-N 1 0 301.496 3.292 10 0 DGAERO CC(C)(C)c1csc(CN(CCC[NH3+])CC(F)(F)F)n1 ZINC000714348047 661198938 /nfs/dbraw/zinc/19/89/38/661198938.db2.gz UWQUFAVZNKAXED-UHFFFAOYSA-N 1 0 309.401 3.154 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C(\C)c1ccccc1OC ZINC000177042999 655890441 /nfs/dbraw/zinc/89/04/41/655890441.db2.gz HQZJPYWZHUCQJJ-QJPKHSJYSA-N 1 0 316.445 3.041 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000714626555 661199703 /nfs/dbraw/zinc/19/97/03/661199703.db2.gz QJVGDCLFLCXWGW-WHOFXGATSA-N 1 0 312.251 3.395 10 0 DGAERO CC(C)(C[NH3+])C1CCN(c2ncccc2Br)CC1 ZINC000714392906 661199709 /nfs/dbraw/zinc/19/97/09/661199709.db2.gz VTTATFKTLUZYAR-UHFFFAOYSA-N 1 0 312.255 3.045 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000714451084 661200912 /nfs/dbraw/zinc/20/09/12/661200912.db2.gz VZQCELHRFLXSJI-WVSHTKLVSA-N 1 0 302.187 3.103 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000714695289 661202480 /nfs/dbraw/zinc/20/24/80/661202480.db2.gz BVMUGKRTJRZYRQ-OTCDBFHCSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1nc(CC(=O)OCCC[N@@H+](C)Cc2ccccc2)cs1 ZINC000177195434 655916931 /nfs/dbraw/zinc/91/69/31/655916931.db2.gz SWDZDQVHMBPJEZ-UHFFFAOYSA-N 1 0 318.442 3.059 10 0 DGAERO CSCCCCCC[NH2+]Cc1nc(Br)c[nH]1 ZINC000309244410 655932390 /nfs/dbraw/zinc/93/23/90/655932390.db2.gz NEZPRPKAODUZNO-UHFFFAOYSA-N 1 0 306.273 3.185 10 0 DGAERO [NH3+][C@H]1C[C@@H](NCc2ncc(Br)s2)c2ccccc21 ZINC000714924119 661204965 /nfs/dbraw/zinc/20/49/65/661204965.db2.gz HEHAVRZHSIBTRQ-WDEREUQCSA-N 1 0 324.247 3.140 10 0 DGAERO CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc2c(c1)CCO2 ZINC000177745828 655945216 /nfs/dbraw/zinc/94/52/16/655945216.db2.gz MKPFRNQEXWKRNG-GOSISDBHSA-N 1 0 313.445 3.255 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000036954893 661210670 /nfs/dbraw/zinc/21/06/70/661210670.db2.gz JTVYRNVCFMLRRM-RYUDHWBXSA-N 1 0 324.471 3.116 10 0 DGAERO C[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(Cl)s1 ZINC000037020851 661213491 /nfs/dbraw/zinc/21/34/91/661213491.db2.gz SQEKCOQFLPHPHT-GXFFZTMASA-N 1 0 320.845 3.293 10 0 DGAERO C[C@@H](C[NH2+]Cc1cncc2ccccc21)CC1(C)OCCO1 ZINC000715908553 661215419 /nfs/dbraw/zinc/21/54/19/661215419.db2.gz JWHVAZATOWRMEH-CQSZACIVSA-N 1 0 300.402 3.114 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccns1 ZINC000715967580 661216778 /nfs/dbraw/zinc/21/67/78/661216778.db2.gz SRYGRGDCPZPYAP-SECBINFHSA-N 1 0 310.806 3.419 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccns1 ZINC000715974877 661217437 /nfs/dbraw/zinc/21/74/37/661217437.db2.gz GKHSAYMBGWMXMO-SQWLQELKSA-N 1 0 301.459 3.457 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716092037 661217574 /nfs/dbraw/zinc/21/75/74/661217574.db2.gz MIMJQUPMPXOTIG-AGUYFDCRSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccns1 ZINC000715980561 661217853 /nfs/dbraw/zinc/21/78/53/661217853.db2.gz ZXXQTKCZYRXDFT-GOEBONIOSA-N 1 0 301.459 3.458 10 0 DGAERO Cc1ccnc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000328164227 656055857 /nfs/dbraw/zinc/05/58/57/656055857.db2.gz ITPZHXGYUPUNIM-GDBMZVCRSA-N 1 0 319.449 3.125 10 0 DGAERO c1ccc(CN2CC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000716180165 661219640 /nfs/dbraw/zinc/21/96/40/661219640.db2.gz UYWUKIJQHWSBFB-XFYFCPPXSA-N 1 0 302.487 3.277 10 0 DGAERO CCOCCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000037214736 661221022 /nfs/dbraw/zinc/22/10/22/661221022.db2.gz QZQAZZCBPLSXAI-CYBMUJFWSA-N 1 0 314.223 3.289 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)o1 ZINC000716353170 661221962 /nfs/dbraw/zinc/22/19/62/661221962.db2.gz NEQDNSPLEUOIKQ-NSHDSACASA-N 1 0 314.223 3.481 10 0 DGAERO Cc1n[nH]c(C[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)c1C ZINC000716474494 661223674 /nfs/dbraw/zinc/22/36/74/661223674.db2.gz YYDXSUWHKDVENJ-GFCCVEGCSA-N 1 0 324.469 3.200 10 0 DGAERO CSCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182199473 656103868 /nfs/dbraw/zinc/10/38/68/656103868.db2.gz QKUPRENMKPDVPK-LSDHHAIUSA-N 1 0 315.527 3.034 10 0 DGAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716620431 661225067 /nfs/dbraw/zinc/22/50/67/661225067.db2.gz BBAQGURIIJPHTJ-LUYZLQTOSA-N 1 0 308.466 3.268 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1ncc(Br)s1 ZINC000716650388 661226024 /nfs/dbraw/zinc/22/60/24/661226024.db2.gz KGCXMCOPBUCXEK-KATARQTJSA-N 1 0 301.253 3.287 10 0 DGAERO C[C@@H](NC(=O)c1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000716606357 661227209 /nfs/dbraw/zinc/22/72/09/661227209.db2.gz WKCUQSLLEQLHDH-SECBINFHSA-N 1 0 301.217 3.111 10 0 DGAERO C[C@H](CC[NH2+]Cc1nc(Br)c[nH]1)c1ccccc1 ZINC000310985525 656163775 /nfs/dbraw/zinc/16/37/75/656163775.db2.gz UQHVHWKBWOGQJR-LLVKDONJSA-N 1 0 308.223 3.456 10 0 DGAERO O=c1ccccn1Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000123646510 656181760 /nfs/dbraw/zinc/18/17/60/656181760.db2.gz COCFGJKLCKEOGJ-KRWDZBQOSA-N 1 0 308.425 3.343 10 0 DGAERO Cc1nc2c(s1)[C@@H]([NH2+]CC1CCC3(CC1)OCCO3)CCC2 ZINC000193375259 656189446 /nfs/dbraw/zinc/18/94/46/656189446.db2.gz PEJYUDSDCSRWEB-AWEZNQCLSA-N 1 0 322.474 3.352 10 0 DGAERO Cn1c2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc2sc1=O ZINC000195017999 656207601 /nfs/dbraw/zinc/20/76/01/656207601.db2.gz HDSMNOXTUYOXQS-UHFFFAOYSA-N 1 0 302.443 3.366 10 0 DGAERO CCOC[C@H](C)[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000299993980 656231524 /nfs/dbraw/zinc/23/15/24/656231524.db2.gz YFCXVCUGDPNVHK-QLFBSQMISA-N 1 0 314.470 3.179 10 0 DGAERO COC[C@@H](C)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000187260556 661254863 /nfs/dbraw/zinc/25/48/63/661254863.db2.gz HGBZLSRANYBETB-GUYCJALGSA-N 1 0 311.853 3.368 10 0 DGAERO COC[C@H](C)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000187260538 661254905 /nfs/dbraw/zinc/25/49/05/661254905.db2.gz HGBZLSRANYBETB-CXAGYDPISA-N 1 0 311.853 3.368 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cncc(Br)c1 ZINC000717625168 661265944 /nfs/dbraw/zinc/26/59/44/661265944.db2.gz LVZFZRWXORMZPH-MFKMUULPSA-N 1 0 313.239 3.310 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3CCCOC3)C2)cc1 ZINC000723974568 656505310 /nfs/dbraw/zinc/50/53/10/656505310.db2.gz AICHFNFIGKFGQU-UFYCRDLUSA-N 1 0 314.473 3.056 10 0 DGAERO Cc1cccc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000724017124 656505356 /nfs/dbraw/zinc/50/53/56/656505356.db2.gz ODYWKKKWABDMSZ-HUUCEWRRSA-N 1 0 319.449 3.173 10 0 DGAERO CC[C@H]([NH2+]Cc1cncc(Br)c1)[C@H]1CCCOC1 ZINC000724007169 656505564 /nfs/dbraw/zinc/50/55/64/656505564.db2.gz IQORWECLCYCJNX-JSGCOSHPSA-N 1 0 313.239 3.139 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000724027313 656505611 /nfs/dbraw/zinc/50/56/11/656505611.db2.gz IVPYBCGDCKBTKA-MJBXVCDLSA-N 1 0 323.437 3.327 10 0 DGAERO Cc1ccsc1C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724109496 656509900 /nfs/dbraw/zinc/50/99/00/656509900.db2.gz MOZHSUKKKSYDQX-VIFPVBQESA-N 1 0 303.296 3.095 10 0 DGAERO COc1nsc(C[NH2+]C2(C3CC3)CCC2)c1Br ZINC000717869531 661270908 /nfs/dbraw/zinc/27/09/08/661270908.db2.gz CLVZLTWBGRLCPF-UHFFFAOYSA-N 1 0 317.252 3.337 10 0 DGAERO C[C@H]([NH2+]Cc1cnc(Cl)s1)c1ccc(-n2cncn2)cc1 ZINC000181918509 656521775 /nfs/dbraw/zinc/52/17/75/656521775.db2.gz QHBHSVWSXNIBDN-JTQLQIEISA-N 1 0 319.821 3.228 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000724993159 656531140 /nfs/dbraw/zinc/53/11/40/656531140.db2.gz PAZRMHJSQMCJLB-SYYJFZTOSA-N 1 0 309.409 3.269 10 0 DGAERO COCc1csc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000722399140 656660222 /nfs/dbraw/zinc/66/02/22/656660222.db2.gz UXOOWADPMXXGLA-JQWIXIFHSA-N 1 0 309.353 3.094 10 0 DGAERO [NH3+]C1CC(CNc2ncc(Br)cc2C(F)(F)F)C1 ZINC000236159181 656951920 /nfs/dbraw/zinc/95/19/20/656951920.db2.gz QYTHBBYZQJTBLT-UHFFFAOYSA-N 1 0 324.144 3.012 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000178865624 657092313 /nfs/dbraw/zinc/09/23/13/657092313.db2.gz OGXFIVNZYMVMIB-KBXCAEBGSA-N 1 0 311.429 3.179 10 0 DGAERO CC(C)(C)Sc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261809801 657111227 /nfs/dbraw/zinc/11/12/27/657111227.db2.gz JNFONHBSGMICMW-UHFFFAOYSA-N 1 0 308.447 3.024 10 0 DGAERO C[C@H](C[C@H]1COCCN1)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261821997 657116170 /nfs/dbraw/zinc/11/61/70/657116170.db2.gz ARSMFEKALDIILY-RKVPGOIHSA-N 1 0 304.478 3.402 10 0 DGAERO C/C(=C/C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000237219245 657384997 /nfs/dbraw/zinc/38/49/97/657384997.db2.gz GZOZRGOPAXZUTJ-XYBXENGVSA-N 1 0 318.848 3.485 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000721806148 657390944 /nfs/dbraw/zinc/39/09/44/657390944.db2.gz ZNMFLGMPJONGHJ-GFCCVEGCSA-N 1 0 308.472 3.464 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000721806153 657391202 /nfs/dbraw/zinc/39/12/02/657391202.db2.gz ZNMFLGMPJONGHJ-LBPRGKRZSA-N 1 0 308.472 3.464 10 0 DGAERO C[N@@H+](Cc1cc(Cl)nc2ccccc12)C[C@H]1CCC[C@H]1O ZINC000249279998 657395042 /nfs/dbraw/zinc/39/50/42/657395042.db2.gz NBEDORJMRYSLOK-MLGOLLRUSA-N 1 0 304.821 3.481 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000249873217 657435699 /nfs/dbraw/zinc/43/56/99/657435699.db2.gz GMLJTVRFCOOCOQ-WHOFXGATSA-N 1 0 322.453 3.157 10 0 DGAERO COCCCNc1nc(Nc2cc[nH+]cc2)nc2ccccc21 ZINC000096195149 657510467 /nfs/dbraw/zinc/51/04/67/657510467.db2.gz HRPHTPWTYDBMNS-UHFFFAOYSA-N 1 0 309.373 3.217 10 0 DGAERO CC/C=C(/C)C[NH+]1CCN(c2cc(CCC)nc(C)n2)CC1 ZINC000096833073 657557993 /nfs/dbraw/zinc/55/79/93/657557993.db2.gz DNSBXILBJFAXFZ-CHHVJCJISA-N 1 0 302.466 3.216 10 0 DGAERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000720410117 657696495 /nfs/dbraw/zinc/69/64/95/657696495.db2.gz IVKSYRSIKGCVOY-UPJWGTAASA-N 1 0 310.429 3.277 10 0 DGAERO CC(C)(O)CC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000310791166 657875772 /nfs/dbraw/zinc/87/57/72/657875772.db2.gz AXWWDBBMQWKDNT-LBPRGKRZSA-N 1 0 314.223 3.023 10 0 DGAERO COCc1nc(C[NH2+]CC2CCC(SC)CC2)cs1 ZINC000720548518 657883221 /nfs/dbraw/zinc/88/32/21/657883221.db2.gz RORILVCEBPZJHS-UHFFFAOYSA-N 1 0 300.493 3.301 10 0 DGAERO Cn1cc(C[NH2+]CC2(c3ccccc3)CC2)c(Br)n1 ZINC000720660337 658056965 /nfs/dbraw/zinc/05/69/65/658056965.db2.gz BZNGLPDZBKIQHJ-UHFFFAOYSA-N 1 0 320.234 3.004 10 0 DGAERO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000262901593 658060197 /nfs/dbraw/zinc/06/01/97/658060197.db2.gz DQKMNCDPFQFNJI-QFBILLFUSA-N 1 0 316.445 3.142 10 0 DGAERO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720951254 658251100 /nfs/dbraw/zinc/25/11/00/658251100.db2.gz BGKQYBXZTBDRPM-QYZOEREBSA-N 1 0 322.408 3.060 10 0 DGAERO c1cnn(-c2ccccc2C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000321741288 658306786 /nfs/dbraw/zinc/30/67/86/658306786.db2.gz UQCJAJGPKGXSPB-QGZVFWFLSA-N 1 0 311.429 3.454 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CCN1Cc1ccccc1 ZINC000352519967 658312351 /nfs/dbraw/zinc/31/23/51/658312351.db2.gz TZSVUJLYLZQODA-FHLIZLRMSA-N 1 0 310.445 3.040 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000721873816 658316118 /nfs/dbraw/zinc/31/61/18/658316118.db2.gz NNMPGABNMQYRAP-NSHDSACASA-N 1 0 316.214 3.181 10 0 DGAERO C[C@@H](NC(=O)CCCCC[NH3+])c1ccc(Br)cc1 ZINC000042372560 658769934 /nfs/dbraw/zinc/76/99/34/658769934.db2.gz WSDDUCVGLRVGQR-LLVKDONJSA-N 1 0 313.239 3.145 10 0 DGAERO CCCOc1ccc(Br)cc1C[NH2+][C@@H](C)[C@@H](C)O ZINC000349272547 658937298 /nfs/dbraw/zinc/93/72/98/658937298.db2.gz AGULGFGRSJPZGZ-WDEREUQCSA-N 1 0 316.239 3.097 10 0 DGAERO CC(C)(C)OC(=O)NCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000224536552 659020829 /nfs/dbraw/zinc/02/08/29/659020829.db2.gz HLCGKTWLXQCACF-OAHLLOKOSA-N 1 0 308.397 3.391 10 0 DGAERO CCC[N@H+](CCC(C)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000157278698 659042847 /nfs/dbraw/zinc/04/28/47/659042847.db2.gz PPFLGZWGMQWIFV-UHFFFAOYSA-N 1 0 312.454 3.077 10 0 DGAERO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CN1CCOC1=S ZINC000058539327 659086289 /nfs/dbraw/zinc/08/62/89/659086289.db2.gz ZXXRKBGTNQLJKY-JKSUJKDBSA-N 1 0 304.459 3.219 10 0 DGAERO c1cc2c(s1)CCC[C@@H]2c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000168459388 659143311 /nfs/dbraw/zinc/14/33/11/659143311.db2.gz GUASCMAPPULLIR-YPMHNXCESA-N 1 0 303.431 3.141 10 0 DGAERO CC[C@H](C[NH2+]Cc1cc(C)c(O)c(C)c1)NC(=O)OC(C)(C)C ZINC000227716796 659162483 /nfs/dbraw/zinc/16/24/83/659162483.db2.gz KAVUWFBANOUZSG-OAHLLOKOSA-N 1 0 322.449 3.402 10 0 DGAERO Cc1sc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1Br ZINC000227839274 659166018 /nfs/dbraw/zinc/16/60/18/659166018.db2.gz GRSRDWNKGZQOST-JOYOIKCWSA-N 1 0 304.253 3.070 10 0 DGAERO CSCCCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000229245258 659247908 /nfs/dbraw/zinc/24/79/08/659247908.db2.gz RUBWXLAOTDVNBH-ZDUSSCGKSA-N 1 0 318.280 3.215 10 0 DGAERO COCCC[C@]1(CO)CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000229983784 659294348 /nfs/dbraw/zinc/29/43/48/659294348.db2.gz PQXYDISDEZIBGV-HIZXUYSRSA-N 1 0 303.446 3.201 10 0 DGAERO C[NH2+]C[C@@H]1CCCCN1Cc1nc(-c2cccs2)oc1C ZINC000063168601 659370543 /nfs/dbraw/zinc/37/05/43/659370543.db2.gz NVZHMRQKRXLXRI-ZDUSSCGKSA-N 1 0 305.447 3.285 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000231528502 659391108 /nfs/dbraw/zinc/39/11/08/659391108.db2.gz IVUUKLVJSRENRB-ZIAGYGMSSA-N 1 0 323.437 3.423 10 0 DGAERO Cc1cc(Br)ccc1-c1noc(CC[C@H](C)[NH3+])n1 ZINC000231694098 659398822 /nfs/dbraw/zinc/39/88/22/659398822.db2.gz QBGUXGAMQVMXKX-VIFPVBQESA-N 1 0 310.195 3.087 10 0 DGAERO C[C@@H]1CC[C@H](CCC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000174210022 659419770 /nfs/dbraw/zinc/41/97/70/659419770.db2.gz VLCFBCFHHDIQNU-KBAYOESNSA-N 1 0 317.429 3.152 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000174564793 659439174 /nfs/dbraw/zinc/43/91/74/659439174.db2.gz RSKHMWXQQXPTOH-HUUCEWRRSA-N 1 0 308.422 3.453 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)c3cc(C)cc(C)c3)C2)c1 ZINC000174785970 659656466 /nfs/dbraw/zinc/65/64/66/659656466.db2.gz XHUZYMHZRMZKKP-OALUTQOASA-N 1 0 313.445 3.179 10 0 DGAERO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000180389005 659961720 /nfs/dbraw/zinc/96/17/20/659961720.db2.gz HEIZMQFKCSRJJP-BBRMVZONSA-N 1 0 320.433 3.127 10 0 DGAERO CSCCCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000180578018 659965750 /nfs/dbraw/zinc/96/57/50/659965750.db2.gz GVDGMKULZNOHGH-KBPBESRZSA-N 1 0 316.511 3.365 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C[C@@H]1CCCN(c3ccccc3)C1)CCC2 ZINC000353596116 660009228 /nfs/dbraw/zinc/00/92/28/660009228.db2.gz PWEGWLIPQPADFQ-MAUKXSAKSA-N 1 0 310.445 3.293 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccsc2)C12CCCCC2 ZINC000181786261 660020272 /nfs/dbraw/zinc/02/02/72/660020272.db2.gz OYMWWFHQZIBCNQ-ARFHVFGLSA-N 1 0 309.475 3.499 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)CS(C)(=O)=O ZINC000182610082 660067171 /nfs/dbraw/zinc/06/71/71/660067171.db2.gz VREVEWKYLJXDFH-KBPBESRZSA-N 1 0 311.491 3.315 10 0 DGAERO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000036331686 661560664 /nfs/dbraw/zinc/56/06/64/661560664.db2.gz NCFOTAMWDYNBIX-ZDUSSCGKSA-N 1 0 309.475 3.212 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C/c1ccccc1Cl ZINC000188059415 661913390 /nfs/dbraw/zinc/91/33/90/661913390.db2.gz UDTPAWCCJRHGPM-MDZDMXLPSA-N 1 0 306.837 3.296 10 0 DGAERO Clc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000188971172 661956547 /nfs/dbraw/zinc/95/65/47/661956547.db2.gz PVQHLBGTJIBJOD-CQSZACIVSA-N 1 0 301.821 3.168 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000189129040 661964944 /nfs/dbraw/zinc/96/49/44/661964944.db2.gz NZLBLSYSLIVKIO-UONOGXRCSA-N 1 0 323.412 3.004 10 0 DGAERO CC(C)COC1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000190195822 662022621 /nfs/dbraw/zinc/02/26/21/662022621.db2.gz YDCKDGNDPNPLFT-UHFFFAOYSA-N 1 0 311.466 3.057 10 0 DGAERO O=C1OCC[C@@H]1CC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191244704 662057500 /nfs/dbraw/zinc/05/75/00/662057500.db2.gz ZCKUFPRBNDVOAN-AWEZNQCLSA-N 1 0 315.335 3.394 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192190397 662091238 /nfs/dbraw/zinc/09/12/38/662091238.db2.gz IDPCMUDWDXUQND-OCCSQVGLSA-N 1 0 319.449 3.083 10 0 DGAERO CC1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)OCCCO1 ZINC000192251623 662093141 /nfs/dbraw/zinc/09/31/41/662093141.db2.gz XJZZRBNYAPWRQP-UHFFFAOYSA-N 1 0 307.287 3.087 10 0 DGAERO CC(=O)CCCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000192432816 662098237 /nfs/dbraw/zinc/09/82/37/662098237.db2.gz RDDCCPWFOCVARK-SFHVURJKSA-N 1 0 317.429 3.201 10 0 DGAERO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccoc1Cl ZINC000192577933 662105217 /nfs/dbraw/zinc/10/52/17/662105217.db2.gz LPSNLPLPWGKVJU-CYBMUJFWSA-N 1 0 305.761 3.364 10 0 DGAERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccoc1Cl ZINC000192587612 662105455 /nfs/dbraw/zinc/10/54/55/662105455.db2.gz LPSNLPLPWGKVJU-ZDUSSCGKSA-N 1 0 305.761 3.364 10 0 DGAERO COCc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000192584755 662105664 /nfs/dbraw/zinc/10/56/64/662105664.db2.gz NLFCWALKYZPCPD-UHFFFAOYSA-N 1 0 319.449 3.075 10 0 DGAERO c1ccc2c(c1)CC[C@H]([NH2+]CC1CCC3(CC1)OCCO3)C2 ZINC000193379229 662132258 /nfs/dbraw/zinc/13/22/58/662132258.db2.gz MLADIMBHWJNKSY-SFHVURJKSA-N 1 0 301.430 3.067 10 0 DGAERO O=C(/C=C/c1ccc(Cl)s1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195071799 662177911 /nfs/dbraw/zinc/17/79/11/662177911.db2.gz YMINEHLRGOUDFH-PZBABLGHSA-N 1 0 310.850 3.111 10 0 DGAERO O=C(/C=C/c1ccc(Cl)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195096851 662178181 /nfs/dbraw/zinc/17/81/81/662178181.db2.gz OCXQRRNZWOTYNQ-FSNWXROXSA-N 1 0 304.821 3.050 10 0 DGAERO Cc1cc[nH+]c(NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000195192042 662179763 /nfs/dbraw/zinc/17/97/63/662179763.db2.gz ZBOYWTDAUYTYSG-KRWDZBQOSA-N 1 0 305.422 3.449 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(C(F)(F)F)s1 ZINC000717924135 662205684 /nfs/dbraw/zinc/20/56/84/662205684.db2.gz SMFZWPSGHGZUNZ-IUCAKERBSA-N 1 0 306.353 3.038 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(C(F)(F)F)s1 ZINC000717924880 662205739 /nfs/dbraw/zinc/20/57/39/662205739.db2.gz VXCFKWSGGPDXRQ-RKDXNWHRSA-N 1 0 306.353 3.086 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(C(F)(F)F)s1 ZINC000717924139 662205759 /nfs/dbraw/zinc/20/57/59/662205759.db2.gz SMFZWPSGHGZUNZ-RKDXNWHRSA-N 1 0 306.353 3.038 10 0 DGAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089390832 662242731 /nfs/dbraw/zinc/24/27/31/662242731.db2.gz HLDDWELVUICEHX-NWDGAFQWSA-N 1 0 312.816 3.203 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCSC(C)(C)C)C1 ZINC000245877508 662243039 /nfs/dbraw/zinc/24/30/39/662243039.db2.gz JYVDAOHXTMVRCO-ZIAGYGMSSA-N 1 0 300.512 3.143 10 0 DGAERO NC(=O)CC1CC([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000718500866 662257161 /nfs/dbraw/zinc/25/71/61/662257161.db2.gz IHBKNDFCCRQLRP-OCTTZUBCSA-N 1 0 310.850 3.121 10 0 DGAERO CC[C@H](C[NH2+][C@@H]1CCC[C@H](OC)CC1)NC(=O)OC(C)(C)C ZINC000718738082 662260941 /nfs/dbraw/zinc/26/09/41/662260941.db2.gz WUBBEVCSMAUBBE-KFWWJZLASA-N 1 0 314.470 3.227 10 0 DGAERO COCC(C)(C)CC[NH2+]Cc1cccc(O)c1Br ZINC000718743334 662261087 /nfs/dbraw/zinc/26/10/87/662261087.db2.gz DZKHJNIUOKSETB-UHFFFAOYSA-N 1 0 316.239 3.307 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000718845295 662263069 /nfs/dbraw/zinc/26/30/69/662263069.db2.gz VRUIJLNHTNEQRB-NZSAHSFTSA-N 1 0 304.478 3.444 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1cccc(F)c1 ZINC000246574202 662265506 /nfs/dbraw/zinc/26/55/06/662265506.db2.gz HUAGCILSJFKSGW-XKQJLSEDSA-N 1 0 318.436 3.140 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)sc1Br ZINC000719275840 662272211 /nfs/dbraw/zinc/27/22/11/662272211.db2.gz XFCXVJFOGXSGKT-UWVGGRQHSA-N 1 0 301.253 3.350 10 0 DGAERO CC[C@@H](C)[C@@H](C[NH2+]Cc1nc(C)c(Br)s1)OC ZINC000719288912 662272883 /nfs/dbraw/zinc/27/28/83/662272883.db2.gz QZMHSHICMPRGPS-PSASIEDQSA-N 1 0 321.284 3.365 10 0 DGAERO CO[C@]1(C[NH2+]Cc2ccc(Br)cc2)CCSC1 ZINC000719315393 662273269 /nfs/dbraw/zinc/27/32/69/662273269.db2.gz IDFRQYSUCWECQZ-ZDUSSCGKSA-N 1 0 316.264 3.061 10 0 DGAERO CO[C@]1(C[NH2+]Cc2ccc(Br)s2)CCSC1 ZINC000719303734 662273799 /nfs/dbraw/zinc/27/37/99/662273799.db2.gz UCLWVWZJGCJQCH-NSHDSACASA-N 1 0 322.293 3.122 10 0 DGAERO Cc1nc(C[NH2+]CCCOCC2CC2)sc1Br ZINC000719328268 662273965 /nfs/dbraw/zinc/27/39/65/662273965.db2.gz RFJKJXBVPFEATH-UHFFFAOYSA-N 1 0 319.268 3.120 10 0 DGAERO Cc1ccccc1Cc1noc(-c2csc([C@H](C)[NH3+])n2)n1 ZINC000090938822 662286418 /nfs/dbraw/zinc/28/64/18/662286418.db2.gz BDVUYCNWKVFAOO-JTQLQIEISA-N 1 0 300.387 3.112 10 0 DGAERO Cc1ccc(C[NH2+]Cc2cncn2C)c(C)c1Br ZINC000719554364 662291863 /nfs/dbraw/zinc/29/18/63/662291863.db2.gz LESTVWPBBDJUPG-UHFFFAOYSA-N 1 0 308.223 3.089 10 0 DGAERO C[C@@H]1[C@H](Nc2ncc(Br)cc2Cl)CC[N@@H+]1C ZINC000719568154 662292579 /nfs/dbraw/zinc/29/25/79/662292579.db2.gz AJGIDDBHFXDZLO-GMSGAONNSA-N 1 0 304.619 3.002 10 0 DGAERO Cc1sc(C[NH2+][C@H]2CCN(C)[C@H]2C)cc1Br ZINC000719642672 662295145 /nfs/dbraw/zinc/29/51/45/662295145.db2.gz CQYSSQVXBUWVKD-UFBFGSQYSA-N 1 0 303.269 3.001 10 0 DGAERO C[C@@H](CCc1ccco1)[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720231569 662306442 /nfs/dbraw/zinc/30/64/42/662306442.db2.gz SHOGELIMXXDVKG-VIFPVBQESA-N 1 0 301.255 3.362 10 0 DGAERO CCC[C@H]1CC(=O)N(C[N@H+](C[C@H]2CCCO2)C2CCCC2)C1 ZINC000247403114 662315855 /nfs/dbraw/zinc/31/58/55/662315855.db2.gz IAFWQMZRONABKU-DOTOQJQBSA-N 1 0 308.466 3.016 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000379626649 685148751 /nfs/dbraw/zinc/14/87/51/685148751.db2.gz MHPWWHBEUINYQO-RTBURBONSA-N 1 0 302.462 3.200 10 0 DGAERO CCCCNC(=S)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379714226 685149053 /nfs/dbraw/zinc/14/90/53/685149053.db2.gz HUSHYNRLNLXKOT-QGZVFWFLSA-N 1 0 319.518 3.305 10 0 DGAERO [NH3+][C@H](CC1CC1)C(=O)Nc1ccccc1OCc1ccccc1 ZINC000380976584 685154986 /nfs/dbraw/zinc/15/49/86/685154986.db2.gz HEWQZSAFSIUXPV-MRXNPFEDSA-N 1 0 310.397 3.332 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000381771489 685159588 /nfs/dbraw/zinc/15/95/88/685159588.db2.gz SJQLRBKQDNQQAH-JTGQJZMRSA-N 1 0 316.445 3.214 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000381948030 685160874 /nfs/dbraw/zinc/16/08/74/685160874.db2.gz AMLVZSSGMYPZBZ-RDBSUJKOSA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CC2CCC1CC2)C1CC1 ZINC000382041075 685161714 /nfs/dbraw/zinc/16/17/14/685161714.db2.gz UJPIYYXWZURPQE-BGHVQYPCSA-N 1 0 308.466 3.458 10 0 DGAERO Cc1nc(C)c(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC000382472010 685164668 /nfs/dbraw/zinc/16/46/68/685164668.db2.gz FVGQYPHKLVYDEO-UHFFFAOYSA-N 1 0 311.426 3.074 10 0 DGAERO CC[C@@]1([NH2+]Cc2ccc(Br)c(F)c2)CCOC1 ZINC000383154012 685165854 /nfs/dbraw/zinc/16/58/54/685165854.db2.gz CRYXUJBPCBAMAV-CYBMUJFWSA-N 1 0 302.187 3.247 10 0 DGAERO CC(C)S(=O)(=O)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000383702216 685168565 /nfs/dbraw/zinc/16/85/65/685168565.db2.gz OAWSKUQECPBGNC-OAHLLOKOSA-N 1 0 315.866 3.204 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@H](C)O1 ZINC000384869696 685172881 /nfs/dbraw/zinc/17/28/81/685172881.db2.gz IHAKBXNMJRCJIB-YRUAKLFHSA-N 1 0 324.465 3.072 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000389786916 685196344 /nfs/dbraw/zinc/19/63/44/685196344.db2.gz MHDNPLWUZIMIFS-RBGFHDKUSA-N 1 0 308.466 3.410 10 0 DGAERO Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000390724355 685203872 /nfs/dbraw/zinc/20/38/72/685203872.db2.gz CUXAMAJJGMMCGE-WAYWQWQTSA-N 1 0 308.397 3.305 10 0 DGAERO CSC1(C[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000390793764 685204917 /nfs/dbraw/zinc/20/49/17/685204917.db2.gz HMALLPNYLNWUFZ-OLZOCXBDSA-N 1 0 314.495 3.165 10 0 DGAERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCc2nccs2)c1 ZINC000391234821 685210264 /nfs/dbraw/zinc/21/02/64/685210264.db2.gz UUEOGOLUZIZVCO-UHFFFAOYSA-N 1 0 311.794 3.427 10 0 DGAERO C[N@H+](C[C@](C)(O)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000394223880 685221611 /nfs/dbraw/zinc/22/16/11/685221611.db2.gz BMLUZXFJRLMFAZ-SFTDATJTSA-N 1 0 324.468 3.100 10 0 DGAERO C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccccc1OCc1ccccc1 ZINC000394893151 685223925 /nfs/dbraw/zinc/22/39/25/685223925.db2.gz XXRNAXPVXMRTPG-CQSZACIVSA-N 1 0 310.397 3.345 10 0 DGAERO CCOC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000395074622 685224918 /nfs/dbraw/zinc/22/49/18/685224918.db2.gz AGFFEMFCBPABNW-SOUVJXGZSA-N 1 0 314.470 3.179 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397760559 685231290 /nfs/dbraw/zinc/23/12/90/685231290.db2.gz KFMNKSLWVXRDBK-ARKGTOAJSA-N 1 0 308.466 3.458 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000398107414 685235259 /nfs/dbraw/zinc/23/52/59/685235259.db2.gz BYNXMFKTYCGCKJ-YNEHKIRRSA-N 1 0 318.408 3.457 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)CN1C(=O)OC(C)(C)C ZINC000398973967 1176128686 /nfs/dbraw/zinc/12/86/86/1176128686.db2.gz ARYVBMYBDFDELZ-FRRDWIJNSA-N 1 0 314.495 3.258 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000089163241 1176242983 /nfs/dbraw/zinc/24/29/83/1176242983.db2.gz VAXDKPBMRUTNEJ-OCLKLICZSA-N 1 0 324.262 3.446 10 0 DGAERO CC(C)CCOCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389811639 1176255042 /nfs/dbraw/zinc/25/50/42/1176255042.db2.gz GEUDIQLNSTUFMN-IEBWSBKVSA-N 1 0 304.478 3.159 10 0 DGAERO Brc1ccc(C[NH2+]CC2CCSCC2)cn1 ZINC000390170003 1176274240 /nfs/dbraw/zinc/27/42/40/1176274240.db2.gz GOYGLTAMRMWHSZ-UHFFFAOYSA-N 1 0 301.253 3.077 10 0 DGAERO C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC[C@H]1CCOC1 ZINC000390788012 1176429655 /nfs/dbraw/zinc/42/96/55/1176429655.db2.gz ZZBDJFYTGJPEQZ-GJZGRUSLSA-N 1 0 314.470 3.086 10 0 DGAERO Cc1ncccc1C[NH2+]CCc1ccc(Br)cc1 ZINC000394158236 1176736123 /nfs/dbraw/zinc/73/61/23/1176736123.db2.gz ULHXADLNHIFMAY-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO CC/C=C\C[NH2+]Cc1ccc(I)cc1 ZINC000395025249 1176756162 /nfs/dbraw/zinc/75/61/62/1176756162.db2.gz IWQHCHUGXXIICK-ARJAWSKDSA-N 1 0 301.171 3.347 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1ccc(Br)c(C)c1 ZINC000398465208 1176790957 /nfs/dbraw/zinc/79/09/57/1176790957.db2.gz LNTLTXPYAPODML-CYBMUJFWSA-N 1 0 300.240 3.398 10 0 DGAERO C[C@@H](O)CCC[NH2+]C1CC(c2ccccc2Br)C1 ZINC000227589930 1176957128 /nfs/dbraw/zinc/95/71/28/1176957128.db2.gz UTYMQXYIRLAUAH-PNESKVBLSA-N 1 0 312.251 3.446 10 0 DGAERO Cc1ncc(CC[NH2+]Cc2ncc(Br)s2)s1 ZINC000381584926 1176990097 /nfs/dbraw/zinc/99/00/97/1176990097.db2.gz HCISEFSWGIPYEH-UHFFFAOYSA-N 1 0 318.265 3.003 10 0 DGAERO CCSCCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397859317 1177013186 /nfs/dbraw/zinc/01/31/86/1177013186.db2.gz XSKRXGNPAGTCCC-OLZOCXBDSA-N 1 0 316.511 3.411 10 0 DGAERO CSCCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397852772 1177013256 /nfs/dbraw/zinc/01/32/56/1177013256.db2.gz VKLAHKXVIPVJNN-RYUDHWBXSA-N 1 0 302.484 3.021 10 0 DGAERO CC(C)OCCCC[NH2+]Cc1ncc(Br)s1 ZINC000309358691 1177095547 /nfs/dbraw/zinc/09/55/47/1177095547.db2.gz OIJPOYRBIWGTCP-UHFFFAOYSA-N 1 0 307.257 3.200 10 0 DGAERO CC(C)(C)[S@](=O)CC[NH2+]Cc1sccc1Br ZINC000309385448 1177096335 /nfs/dbraw/zinc/09/63/35/1177096335.db2.gz SPNCSFRAYWGPSN-MRXNPFEDSA-N 1 0 324.309 3.147 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H](C)O1 ZINC000384600188 1177107442 /nfs/dbraw/zinc/10/74/42/1177107442.db2.gz NONSCPRVVMTRQG-RDBSUJKOSA-N 1 0 314.470 3.178 10 0 DGAERO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000381148176 1177336717 /nfs/dbraw/zinc/33/67/17/1177336717.db2.gz YBQVSQMXTRQIDG-YRGRVCCFSA-N 1 0 314.271 3.450 10 0 DGAERO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC23CCC(CC2)C3)C1 ZINC000333722470 1177363306 /nfs/dbraw/zinc/36/33/06/1177363306.db2.gz RSBAJYIELAOHTH-SWKXRBFHSA-N 1 0 316.449 3.128 10 0 DGAERO CC(C)(C)[S@](=O)CC[NH2+]Cc1ccc(Br)s1 ZINC000116921336 1177468096 /nfs/dbraw/zinc/46/80/96/1177468096.db2.gz MRLCJRXVEVWUHP-INIZCTEOSA-N 1 0 324.309 3.147 10 0 DGAERO c1nc(C[NH2+]CCCO[C@@H]2CCOC2)sc1-c1ccccc1 ZINC000092411401 1177900774 /nfs/dbraw/zinc/90/07/74/1177900774.db2.gz SYGHLMWPIKFDNC-OAHLLOKOSA-N 1 0 318.442 3.095 10 0 DGAERO FC(F)Oc1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000060818085 1195157473 /nfs/dbraw/zinc/15/74/73/1195157473.db2.gz RZYIPZSRAKJFFX-CQSZACIVSA-N 1 0 321.323 3.218 10 0 DGAERO c1cc(C[NH2+]CCOC[C@@H]2CCOC2)cc(OC2CCCC2)c1 ZINC000068995383 1195764659 /nfs/dbraw/zinc/76/46/59/1195764659.db2.gz VSVNJRLUORABDX-QGZVFWFLSA-N 1 0 319.445 3.151 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)Nc1cccc(Br)n1 ZINC000069466074 1195796823 /nfs/dbraw/zinc/79/68/23/1195796823.db2.gz FCSGOHXQBMNVOV-NSHDSACASA-N 1 0 300.244 3.232 10 0 DGAERO c1ccc(-c2ncc(CNCC[NH+]3CCCCCC3)cn2)cc1 ZINC000069674107 1195811663 /nfs/dbraw/zinc/81/16/63/1195811663.db2.gz DHRHMXCFIMLDBT-UHFFFAOYSA-N 1 0 310.445 3.109 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]CCCOC3CCCCC3)cc2)n1 ZINC000075734304 1196415122 /nfs/dbraw/zinc/41/51/22/1196415122.db2.gz XNLMDEKEFWTBES-UHFFFAOYSA-N 1 0 314.433 3.096 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCc2cscn2)cc1OC ZINC000076331254 1196473662 /nfs/dbraw/zinc/47/36/62/1196473662.db2.gz YCGLGIAKHYOLOU-UHFFFAOYSA-N 1 0 304.415 3.049 10 0 DGAERO c1cn(-c2ccc(C[NH2+]CCOCc3ccccc3)cc2)cn1 ZINC000080244656 1197054453 /nfs/dbraw/zinc/05/44/53/1197054453.db2.gz VLQUBRUZCUELLV-UHFFFAOYSA-N 1 0 307.397 3.179 10 0 DGAERO c1csc(-c2n[nH]cc2C[NH2+]CCOCc2ccccc2)c1 ZINC000080265487 1197057426 /nfs/dbraw/zinc/05/74/26/1197057426.db2.gz CBURXQNKKZNQLK-UHFFFAOYSA-N 1 0 313.426 3.445 10 0 DGAERO c1csc(-c2ncc(C[NH2+]CCOC[C@@H]3CCCO3)s2)c1 ZINC000083468944 1197430937 /nfs/dbraw/zinc/43/09/37/1197430937.db2.gz QFAFGSAAQFYUEZ-LBPRGKRZSA-N 1 0 324.471 3.157 10 0 DGAERO C(=C\c1ccccc1)\C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000383158670 1197706663 /nfs/dbraw/zinc/70/66/63/1197706663.db2.gz LFBYICUKBVLWBO-YVRYJGMNSA-N 1 0 322.452 3.190 10 0 DGAERO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000387857214 1197708662 /nfs/dbraw/zinc/70/86/62/1197708662.db2.gz SYTBULMUPQXUCJ-NEPJUHHUSA-N 1 0 315.198 3.427 10 0 DGAERO Cc1ccnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000392836991 1197717731 /nfs/dbraw/zinc/71/77/31/1197717731.db2.gz KPIHAIJXRJYVKY-HUUCEWRRSA-N 1 0 319.449 3.316 10 0 DGAERO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1cc(Br)cs1 ZINC000393916119 1197720532 /nfs/dbraw/zinc/72/05/32/1197720532.db2.gz ITZDQYBSWKCKBB-CABZTGNLSA-N 1 0 303.269 3.035 10 0 DGAERO C[C@H]1C[NH+](Cc2ccc(I)cc2)C[C@@H]1C ZINC000091440262 1198407856 /nfs/dbraw/zinc/40/78/56/1198407856.db2.gz PFVGAJWIRRAMDN-QWRGUYRKSA-N 1 0 315.198 3.379 10 0 DGAERO CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1nn(C)cc1Br ZINC000401631135 1199410950 /nfs/dbraw/zinc/41/09/50/1199410950.db2.gz YMOCHOSOTYWJTC-NWDGAFQWSA-N 1 0 314.271 3.489 10 0 DGAERO CCC[C@H](C[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)OC ZINC000401725371 1199417110 /nfs/dbraw/zinc/41/71/10/1199417110.db2.gz PWAXRDWCFQJSOK-RRFJBIMHSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1cc(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)sn1 ZINC000404418168 1199554731 /nfs/dbraw/zinc/55/47/31/1199554731.db2.gz PWTYIBWQRUHTKK-HNNXBMFYSA-N 1 0 303.475 3.452 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCOCc1ccccc1 ZINC000306737822 1199696793 /nfs/dbraw/zinc/69/67/93/1199696793.db2.gz RRENYFJZKZPAAD-WIYYLYMNSA-N 1 0 324.468 3.313 10 0 DGAERO COCCC[NH2+]Cc1ccc(Br)cc1SC ZINC000309937244 1199711364 /nfs/dbraw/zinc/71/13/64/1199711364.db2.gz AKTWXEWGHHYTGO-UHFFFAOYSA-N 1 0 304.253 3.297 10 0 DGAERO CC(C)SCC[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000309981422 1199711828 /nfs/dbraw/zinc/71/18/28/1199711828.db2.gz VCNCPEZLACGCNF-ZDUSSCGKSA-N 1 0 304.500 3.411 10 0 DGAERO c1csc(-c2nc(C[NH2+]CCOC[C@@H]3CCCO3)cs2)c1 ZINC000115625407 1199756291 /nfs/dbraw/zinc/75/62/91/1199756291.db2.gz UAVOONJMWOVILV-ZDUSSCGKSA-N 1 0 324.471 3.157 10 0 DGAERO Clc1cccc(C[NH2+]CCOC[C@@H]2CCCO2)c1Cl ZINC000115624887 1199756893 /nfs/dbraw/zinc/75/68/93/1199756893.db2.gz CFDOMMJIDINRSV-LBPRGKRZSA-N 1 0 304.217 3.279 10 0 DGAERO CCC[C@H](C[NH2+]CCc1cccc(Br)c1)OC ZINC000313718901 1199772798 /nfs/dbraw/zinc/77/27/98/1199772798.db2.gz SCYQVHHURVUAAO-CQSZACIVSA-N 1 0 300.240 3.396 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000127347392 1200679354 /nfs/dbraw/zinc/67/93/54/1200679354.db2.gz VAVVNRGNTKDHDS-UHFFFAOYSA-N 1 0 322.493 3.295 10 0 DGAERO Cc1ncc(C[NH2+]CCNc2ncccc2C(F)(F)F)s1 ZINC000151121995 1201059483 /nfs/dbraw/zinc/05/94/83/1201059483.db2.gz ZPGFLJSSDQTXIQ-UHFFFAOYSA-N 1 0 316.352 3.067 10 0 DGAERO c1ccc(NCCC[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC000132787423 1201181648 /nfs/dbraw/zinc/18/16/48/1201181648.db2.gz OVIUCLHTRDWULS-UHFFFAOYSA-N 1 0 310.445 3.274 10 0 DGAERO COCCOCCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000134023656 1201197121 /nfs/dbraw/zinc/19/71/21/1201197121.db2.gz XWCSBLXTNINKHP-UHFFFAOYSA-N 1 0 305.340 3.238 10 0 DGAERO O=C(CC[NH2+]Cc1cc(Cl)ccc1Cl)N1CCCCC1 ZINC000135440924 1201206597 /nfs/dbraw/zinc/20/65/97/1201206597.db2.gz XYVPDUNLPXHCRL-UHFFFAOYSA-N 1 0 315.244 3.486 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1ccccc1CNC(=O)OC(C)(C)C ZINC000220669065 1202566896 /nfs/dbraw/zinc/56/68/96/1202566896.db2.gz OQDKBEAKPAEVKA-CQSZACIVSA-N 1 0 322.449 3.083 10 0 DGAERO Brc1ccc2ncc(C[NH2+][C@H]3C=CCCC3)n2c1 ZINC000151187218 1202591655 /nfs/dbraw/zinc/59/16/55/1202591655.db2.gz AVIKELQIGRGQTI-LBPRGKRZSA-N 1 0 306.207 3.295 10 0 DGAERO c1cc(C[NH2+]CCCO[C@H]2CCOC2)cc(OC2CCCC2)c1 ZINC000153052961 1202595782 /nfs/dbraw/zinc/59/57/82/1202595782.db2.gz QRQFMUQYYRGRDF-IBGZPJMESA-N 1 0 319.445 3.293 10 0 DGAERO COc1cc(C[N@H+](C)CC2CCC2)ccc1OC(=O)C1CC1 ZINC000156626640 1202600962 /nfs/dbraw/zinc/60/09/62/1202600962.db2.gz CJKCDCQPHDMCJR-UHFFFAOYSA-N 1 0 303.402 3.243 10 0 DGAERO c1ccc(OCC2CC2)c(CNCC[NH+]2CCCCCC2)c1 ZINC000236585673 1202613616 /nfs/dbraw/zinc/61/36/16/1202613616.db2.gz HIIMNAMTJGVFKS-UHFFFAOYSA-N 1 0 302.462 3.441 10 0 DGAERO Cc1cc(C)c2c(c1)CC[N@@H+](Cc1cc(-c3cnn(C)c3)no1)C2 ZINC000186474424 1202926091 /nfs/dbraw/zinc/92/60/91/1202926091.db2.gz ZZJOEWDGOYEYGK-UHFFFAOYSA-N 1 0 322.412 3.250 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000162440495 1203454022 /nfs/dbraw/zinc/45/40/22/1203454022.db2.gz QAQYXMXEFBNZPF-HZPDHXFCSA-N 1 0 320.502 3.350 10 0 DGAERO CCN(Cc1ccccc1)C(=O)C[NH2+]CCc1ccc(F)cc1 ZINC000244139808 1203607671 /nfs/dbraw/zinc/60/76/71/1203607671.db2.gz UOPQLGADDFEJOY-UHFFFAOYSA-N 1 0 314.404 3.007 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000255120032 1203837120 /nfs/dbraw/zinc/83/71/20/1203837120.db2.gz QROYLAPWIFEMPT-ZSMUJPCHSA-N 1 0 318.461 3.191 10 0 DGAERO O=C(Nc1ccc(Cl)nc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175505214 1203920357 /nfs/dbraw/zinc/92/03/57/1203920357.db2.gz JFXCNAWCJKSXQE-CQSZACIVSA-N 1 0 322.840 3.121 10 0 DGAERO Cc1cc(N2C[C@H]3CCC[C@@H](C2)C3O)c2cc(F)ccc2[nH+]1 ZINC000178227495 1204015278 /nfs/dbraw/zinc/01/52/78/1204015278.db2.gz NXRYTHZSCKXSRR-NCNPBXTDSA-N 1 0 300.377 3.280 10 0 DGAERO CSc1ccc(OCCN[C@@H](c2nc(C)no2)C(C)C)cc1 ZINC000179853082 1204323273 /nfs/dbraw/zinc/32/32/73/1204323273.db2.gz FSXZBCICPADOBD-OAHLLOKOSA-N 1 0 321.446 3.466 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000262571187 1204326123 /nfs/dbraw/zinc/32/61/23/1204326123.db2.gz XLVCRWJLKRYZTJ-ZYHUDNBSSA-N 1 0 315.339 3.344 10 0 DGAERO C[C@H](CNCc1c(F)ccc(F)c1Cl)C[NH+]1CCCC1 ZINC000705567274 1081693755 /nfs/dbraw/zinc/69/37/55/1081693755.db2.gz BNXVOOROGPFUFY-LLVKDONJSA-N 1 0 302.796 3.440 10 0 DGAERO CC(C)=CC(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705908212 1081804951 /nfs/dbraw/zinc/80/49/51/1081804951.db2.gz OIRSHMPTDPWKFS-PMACEKPBSA-N 1 0 312.457 3.323 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000398460930 1082153570 /nfs/dbraw/zinc/15/35/70/1082153570.db2.gz IZLJTMBJJQTUHM-LLVKDONJSA-N 1 0 304.203 3.229 10 0 DGAERO Cc1ccc(-c2noc(CC[C@H](C)[NH3+])n2)c(Br)c1 ZINC000235475064 1082192612 /nfs/dbraw/zinc/19/26/12/1082192612.db2.gz QYZNDIFOJDNIHB-VIFPVBQESA-N 1 0 310.195 3.087 10 0 DGAERO COc1cccc(/C(C)=C\C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000588545640 1082596330 /nfs/dbraw/zinc/59/63/30/1082596330.db2.gz LKDGRGKWRANPQF-QINSGFPZSA-N 1 0 316.445 3.041 10 0 DGAERO CCN1CC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000712551672 1085752022 /nfs/dbraw/zinc/75/20/22/1085752022.db2.gz ZJONYWDYOTZQJA-SWLSCSKDSA-N 1 0 311.267 3.064 10 0 DGAERO Cn1cccc1C[NH2+][C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711638636 1091328632 /nfs/dbraw/zinc/32/86/32/1091328632.db2.gz ICLZWKFMHPYDKN-MAUKXSAKSA-N 1 0 319.449 3.047 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC000175943571 1093592919 /nfs/dbraw/zinc/59/29/19/1093592919.db2.gz JVBDDKNUHWDYHG-GJZGRUSLSA-N 1 0 323.506 3.195 10 0 DGAERO Cc1noc([C@@H]([NH2+]CCCOc2ccccc2C)C(C)C)n1 ZINC000179895038 1093821270 /nfs/dbraw/zinc/82/12/70/1093821270.db2.gz KNHLXTHBSCWHTJ-INIZCTEOSA-N 1 0 303.406 3.442 10 0 DGAERO CCOC[C@H](C)[NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000401358044 1093944887 /nfs/dbraw/zinc/94/48/87/1093944887.db2.gz BLFLHDIXGBEJOE-AWEZNQCLSA-N 1 0 322.449 3.226 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000403623066 1094156052 /nfs/dbraw/zinc/15/60/52/1094156052.db2.gz HYABWQWQWVQNEY-RLAWYHOSSA-N 1 0 312.479 3.012 10 0 DGAERO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000404454081 1094258619 /nfs/dbraw/zinc/25/86/19/1094258619.db2.gz ODXWGSWXOKGLDX-LBPRGKRZSA-N 1 0 311.451 3.022 10 0 DGAERO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccns2)CC1 ZINC000404442186 1094258860 /nfs/dbraw/zinc/25/88/60/1094258860.db2.gz XTBYKLFKFLFOHV-UHFFFAOYSA-N 1 0 311.451 3.069 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccns2)CC1 ZINC000404441654 1094258868 /nfs/dbraw/zinc/25/88/68/1094258868.db2.gz XKWHKYPDINKWEJ-GFCCVEGCSA-N 1 0 311.451 3.022 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(F)F)C12CCC2 ZINC000405236178 1094311197 /nfs/dbraw/zinc/31/11/97/1094311197.db2.gz SROQOALTOATJEC-RYUDHWBXSA-N 1 0 318.408 3.457 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000309857081 1094832397 /nfs/dbraw/zinc/83/23/97/1094832397.db2.gz LRJHWJUMLUBPIY-SOUVJXGZSA-N 1 0 319.449 3.426 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000194286728 1095138828 /nfs/dbraw/zinc/13/88/28/1095138828.db2.gz IPEFDAFHBAXBCG-ZDUSSCGKSA-N 1 0 300.406 3.021 10 0 DGAERO CCC[NH2+]C[C@H](C)N(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000721658897 1097775253 /nfs/dbraw/zinc/77/52/53/1097775253.db2.gz XPTMFTFWLABMHS-JTQLQIEISA-N 1 0 303.233 3.454 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000150951931 1099378586 /nfs/dbraw/zinc/37/85/86/1099378586.db2.gz FCBGLTLLGLCNBL-CMPLNLGQSA-N 1 0 311.223 3.214 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1cccc(SC(F)F)c1 ZINC000722512015 1100300231 /nfs/dbraw/zinc/30/02/31/1100300231.db2.gz MKDCPWRVGCYNFD-NXEZZACHSA-N 1 0 300.374 3.185 10 0 DGAERO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000718030947 1104486166 /nfs/dbraw/zinc/48/61/66/1104486166.db2.gz GCQVQKBQYRUJCH-VDGAXYAQSA-N 1 0 316.489 3.444 10 0 DGAERO C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000718030946 1104486208 /nfs/dbraw/zinc/48/62/08/1104486208.db2.gz GCQVQKBQYRUJCH-PWIZWCRZSA-N 1 0 316.489 3.444 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]Cc2cccc(Br)c2Cl)CCN1C ZINC000719600005 1104957381 /nfs/dbraw/zinc/95/73/81/1104957381.db2.gz KAYRWDKAOBJENA-SKDRFNHKSA-N 1 0 317.658 3.285 10 0 DGAERO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC(F)F ZINC000381761473 1108108853 /nfs/dbraw/zinc/10/88/53/1108108853.db2.gz KTGPHADJMKGLHB-NWDGAFQWSA-N 1 0 306.397 3.409 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC1CCC(O)CC1 ZINC000382646465 1108157823 /nfs/dbraw/zinc/15/78/23/1108157823.db2.gz LRNHCLSCQQOLIJ-KKXNLOMOSA-N 1 0 316.489 3.134 10 0 DGAERO Brc1ccc(C[NH2+]CCOCc2ccccc2)nc1 ZINC000390064016 1108665362 /nfs/dbraw/zinc/66/53/62/1108665362.db2.gz XUGGTROWLBISBF-UHFFFAOYSA-N 1 0 321.218 3.151 10 0 DGAERO Cn1cc(Br)c(C[NH2+]CC2CCC(C)(C)CC2)n1 ZINC000393338352 1109000924 /nfs/dbraw/zinc/00/09/24/1109000924.db2.gz NXSGPCTVFLDXPI-UHFFFAOYSA-N 1 0 314.271 3.489 10 0 DGAERO CC[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1Cl ZINC000162080452 197542345 /nfs/dbraw/zinc/54/23/45/197542345.db2.gz DRDQFGXSIJHRCP-MELADBBJSA-N 1 0 324.852 3.131 10 0 DGAERO CC[C@H]1CN(c2ncc(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000234138625 546278166 /nfs/dbraw/zinc/27/81/66/546278166.db2.gz CBMFLBZJCLUVCQ-KWQFWETISA-N 1 0 318.646 3.061 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)Oc1ccc(SC)cc1 ZINC000077000485 185064940 /nfs/dbraw/zinc/06/49/40/185064940.db2.gz XCMQGKBBUBTWIM-UONOGXRCSA-N 1 0 324.490 3.022 10 0 DGAERO c1ccc(C[N@H+]2CCCC[C@H]2CNc2nnc(C3CC3)o2)cc1 ZINC000278487309 214186476 /nfs/dbraw/zinc/18/64/76/214186476.db2.gz VYGBCXZFKHNTCF-INIZCTEOSA-N 1 0 312.417 3.414 10 0 DGAERO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(-c2cccnc2)cc1 ZINC000181285200 199275926 /nfs/dbraw/zinc/27/59/26/199275926.db2.gz KLCFUUVLWWQKGP-AWEZNQCLSA-N 1 0 309.413 3.020 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181294656 199278135 /nfs/dbraw/zinc/27/81/35/199278135.db2.gz LAPKTUISLAOHIH-MRXNPFEDSA-N 1 0 323.440 3.412 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(C)c1 ZINC000176352426 529405793 /nfs/dbraw/zinc/40/57/93/529405793.db2.gz YOACVAFJLRUOMI-HUUCEWRRSA-N 1 0 305.397 3.225 10 0 DGAERO CCCOc1ccc([C@H](O)[C@H]2CCC[NH2+]2)cc1Br ZINC000083162895 185215206 /nfs/dbraw/zinc/21/52/06/185215206.db2.gz AYAKSZIOTQCYTR-OCCSQVGLSA-N 1 0 314.223 3.023 10 0 DGAERO CCCOc1ccc([C@@H](O)[C@H]2CCC[NH2+]2)cc1Br ZINC000083162897 185215364 /nfs/dbraw/zinc/21/53/64/185215364.db2.gz AYAKSZIOTQCYTR-TZMCWYRMSA-N 1 0 314.223 3.023 10 0 DGAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2coc3ccccc23)cn1 ZINC000328627610 231261992 /nfs/dbraw/zinc/26/19/92/231261992.db2.gz GIIRJWUZAMATPQ-QAPCUYQASA-N 1 0 324.384 3.116 10 0 DGAERO CC[N@H+](C)[C@H](C(=O)N1CCc2cc(OC)ccc21)c1ccccc1 ZINC000103192728 432004603 /nfs/dbraw/zinc/00/46/03/432004603.db2.gz BVFHWOLIVXKDFU-IBGZPJMESA-N 1 0 324.424 3.277 10 0 DGAERO CCn1ccnc1[C@H](C)NC(=O)C1(C(F)(F)F)CCCC1 ZINC000415755710 529593653 /nfs/dbraw/zinc/59/36/53/529593653.db2.gz KHKPYLPAUPYPKV-JTQLQIEISA-N 1 0 303.328 3.203 10 0 DGAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000165896480 197683784 /nfs/dbraw/zinc/68/37/84/197683784.db2.gz NZMHQLWQHXPUFI-QWRGUYRKSA-N 1 0 323.234 3.104 10 0 DGAERO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)CCC2)c(OC)c1 ZINC000090219959 185287087 /nfs/dbraw/zinc/28/70/87/185287087.db2.gz VZALKJOTOJTOAE-CYBMUJFWSA-N 1 0 320.433 3.201 10 0 DGAERO C[NH+](C)CCc1ccc(-c2c[nH]c(=O)c3cccc(O)c32)cc1 ZINC000090502505 185299524 /nfs/dbraw/zinc/29/95/24/185299524.db2.gz SMAZNPIHHJBWAS-UHFFFAOYSA-N 1 0 308.381 3.005 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1)[S@](C)=O ZINC000090514665 185300115 /nfs/dbraw/zinc/30/01/15/185300115.db2.gz GGKVOZFFMYOLSZ-QZXWKGOOSA-N 1 0 305.390 3.096 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)s1 ZINC000090419461 185295301 /nfs/dbraw/zinc/29/53/01/185295301.db2.gz DUXJORVZBMMGJC-IUODEOHRSA-N 1 0 321.490 3.283 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000090419322 185295427 /nfs/dbraw/zinc/29/54/27/185295427.db2.gz BPNRMKMQKJJFMD-PWSUYJOCSA-N 1 0 322.865 3.429 10 0 DGAERO COc1cccc(C(=O)N(CC[NH+](C)C)c2ccccc2)c1F ZINC000090467808 185297866 /nfs/dbraw/zinc/29/78/66/185297866.db2.gz ZQTYZZMCFRHEAI-UHFFFAOYSA-N 1 0 316.376 3.043 10 0 DGAERO CC[N@H+](CCC(=O)OC)Cc1ccc(-c2ccncc2)cc1F ZINC000092379953 185314968 /nfs/dbraw/zinc/31/49/68/185314968.db2.gz RIPMLGJJBNYEQK-UHFFFAOYSA-N 1 0 316.376 3.273 10 0 DGAERO COc1ccc(C[NH+]2CCC(n3cncn3)CC2)c2ccccc12 ZINC000092648250 185331232 /nfs/dbraw/zinc/33/12/32/185331232.db2.gz MFZXPHADAUNDFC-UHFFFAOYSA-N 1 0 322.412 3.277 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(Br)s1 ZINC000092664784 185332721 /nfs/dbraw/zinc/33/27/21/185332721.db2.gz FBMVAXJYXSAUGT-LLVKDONJSA-N 1 0 317.296 3.427 10 0 DGAERO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000092734517 185337153 /nfs/dbraw/zinc/33/71/53/185337153.db2.gz JNFMCLPYDJUAEK-AWEZNQCLSA-N 1 0 323.506 3.080 10 0 DGAERO Cc1ccc2cccc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c2n1 ZINC000092759887 185338613 /nfs/dbraw/zinc/33/86/13/185338613.db2.gz HHWKGWGBACNTQB-GOEBONIOSA-N 1 0 324.428 3.244 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CSCCc2ccccc21 ZINC000124247237 282259006 /nfs/dbraw/zinc/25/90/06/282259006.db2.gz JNVGTUPPFIBKHG-SFHVURJKSA-N 1 0 315.486 3.200 10 0 DGAERO C[C@@H]1CCC[C@@H](C[NH+]2CCC(N(C)c3cccnn3)CC2)C1 ZINC000092796275 185342131 /nfs/dbraw/zinc/34/21/31/185342131.db2.gz ZYSVFBSOFFDFSZ-HZPDHXFCSA-N 1 0 302.466 3.204 10 0 DGAERO COc1c(C)cc(C[NH+]2CCC(c3ccnn3C)CC2)cc1C ZINC000092810358 185342714 /nfs/dbraw/zinc/34/27/14/185342714.db2.gz JXWFTJGXAOSPCT-UHFFFAOYSA-N 1 0 313.445 3.425 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3cccc4c3OCO4)CC2)cn1 ZINC000092809195 185342816 /nfs/dbraw/zinc/34/28/16/185342816.db2.gz WQUBIDTVQDNHBK-UHFFFAOYSA-N 1 0 313.401 3.011 10 0 DGAERO CCCn1nc(C)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1C ZINC000092810672 185343043 /nfs/dbraw/zinc/34/30/43/185343043.db2.gz NVGZEHPZYGTWOZ-UHFFFAOYSA-N 1 0 301.438 3.013 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(F)cc3C)C2)no1 ZINC000092814057 185343191 /nfs/dbraw/zinc/34/31/91/185343191.db2.gz DYEOVGWYBQKJHD-CQSZACIVSA-N 1 0 303.381 3.280 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(F)c(C)c3)C2)no1 ZINC000092813973 185343268 /nfs/dbraw/zinc/34/32/68/185343268.db2.gz YXYXNRFXBNTWBL-CQSZACIVSA-N 1 0 303.381 3.280 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCc2ccccn2)c(OC)c1 ZINC000181488167 199305052 /nfs/dbraw/zinc/30/50/52/199305052.db2.gz RZUHLORMKKELBM-AWEZNQCLSA-N 1 0 300.402 3.382 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccncc1)c1cccc(C(F)(F)F)c1 ZINC000097032984 185399719 /nfs/dbraw/zinc/39/97/19/185399719.db2.gz VMAPSMXJBJTMAA-LLVKDONJSA-N 1 0 323.318 3.390 10 0 DGAERO Cc1ccsc1CNC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000181638375 199331336 /nfs/dbraw/zinc/33/13/36/199331336.db2.gz XJFOLUPXVBYZCD-LLVKDONJSA-N 1 0 324.396 3.302 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3cccc(Br)c3)no2)C1 ZINC000097067745 185405790 /nfs/dbraw/zinc/40/57/90/185405790.db2.gz PYEDKQHZGADAOV-MWLCHTKSSA-N 1 0 308.179 3.094 10 0 DGAERO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccnc2c(F)cc(F)cc12 ZINC000302538723 529949054 /nfs/dbraw/zinc/94/90/54/529949054.db2.gz SDALDWCAJXGLSY-GFCCVEGCSA-N 1 0 305.372 3.291 10 0 DGAERO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@@H](CCO)c1ccccc1 ZINC000435124303 529982367 /nfs/dbraw/zinc/98/23/67/529982367.db2.gz NZGBIHATEUIJAL-KRWDZBQOSA-N 1 0 311.385 3.225 10 0 DGAERO C[C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000129912065 432010839 /nfs/dbraw/zinc/01/08/39/432010839.db2.gz BYBSCUBQZTZPTF-NWDGAFQWSA-N 1 0 315.866 3.412 10 0 DGAERO C[C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000129911635 432010977 /nfs/dbraw/zinc/01/09/77/432010977.db2.gz BYBSCUBQZTZPTF-RYUDHWBXSA-N 1 0 315.866 3.412 10 0 DGAERO Cn1c2ccccc2nc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107697489 185489646 /nfs/dbraw/zinc/48/96/46/185489646.db2.gz QLWVTVAMMFEUQD-INIZCTEOSA-N 1 0 312.461 3.024 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H](C)c3ccccc3C)CCO2)n1 ZINC000130058155 432013936 /nfs/dbraw/zinc/01/39/36/432013936.db2.gz XHGNCKNXVVXNJP-MSOLQXFVSA-N 1 0 313.445 3.270 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000235488816 201917897 /nfs/dbraw/zinc/91/78/97/201917897.db2.gz VPVRKEOHLBTINZ-MNOVXSKESA-N 1 0 308.223 3.454 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(CC(C)C)CC2)[C@H](C)C1 ZINC000130078293 432014828 /nfs/dbraw/zinc/01/48/28/432014828.db2.gz NHIWPEWNTISJLY-CVEARBPZSA-N 1 0 309.498 3.184 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000130066517 432014982 /nfs/dbraw/zinc/01/49/82/432014982.db2.gz MMKZFMGCXNMXNG-XAWIXRBMSA-N 1 0 306.494 3.439 10 0 DGAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391671 432015325 /nfs/dbraw/zinc/01/53/25/432015325.db2.gz CVMPJHSZWDDFBP-WDEREUQCSA-N 1 0 300.805 3.290 10 0 DGAERO COc1cc(C[N@H+](C2CC2)C2CCCC2)cc2c1OCCO2 ZINC000130213371 432017915 /nfs/dbraw/zinc/01/79/15/432017915.db2.gz UIBHFQOTSPSJAI-UHFFFAOYSA-N 1 0 303.402 3.373 10 0 DGAERO CC[C@@H]([NH3+])Cc1cc(Cl)cc(Cl)c1O[C@H]1CCOC1 ZINC000070072748 190855561 /nfs/dbraw/zinc/85/55/61/190855561.db2.gz WTLMOTUXXJBNCX-NEPJUHHUSA-N 1 0 304.217 3.441 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)cc1)C(C)C ZINC000130299214 432020318 /nfs/dbraw/zinc/02/03/18/432020318.db2.gz NNYNUOCYRLZXQR-IYBDPMFKSA-N 1 0 318.461 3.166 10 0 DGAERO C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279801923 215159112 /nfs/dbraw/zinc/15/91/12/215159112.db2.gz WEQOXWACEREBIK-NVXWUHKLSA-N 1 0 318.461 3.464 10 0 DGAERO CC(C)c1cc(N2CC[C@H]([NH3+])C2)nc(-c2cccc(Cl)c2)n1 ZINC000070455917 190895531 /nfs/dbraw/zinc/89/55/31/190895531.db2.gz HNZIVQDSHZOIHJ-AWEZNQCLSA-N 1 0 316.836 3.458 10 0 DGAERO CCCc1cc(NC2CC[NH2+]CC2)nc(-c2ccccc2F)n1 ZINC000070451715 190894771 /nfs/dbraw/zinc/89/47/71/190894771.db2.gz UCDWQASTOISXBI-UHFFFAOYSA-N 1 0 314.408 3.399 10 0 DGAERO CCCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccccc2F)n1 ZINC000070456468 190896739 /nfs/dbraw/zinc/89/67/39/190896739.db2.gz YQSVGPLQTDZRKJ-AWEZNQCLSA-N 1 0 314.408 3.399 10 0 DGAERO Cc1ccc(-c2nc(C)c(C)c(NC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000070456208 190896179 /nfs/dbraw/zinc/89/61/79/190896179.db2.gz KKOHSVASOUDHKA-INIZCTEOSA-N 1 0 310.445 3.480 10 0 DGAERO CCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccccc2F)n1 ZINC000070456463 190896216 /nfs/dbraw/zinc/89/62/16/190896216.db2.gz ZCHMRNXONKEQRE-CYBMUJFWSA-N 1 0 300.381 3.009 10 0 DGAERO Cc1nc(-c2ccccc2F)nc(NCC2CC[NH2+]CC2)c1C ZINC000070456002 190896373 /nfs/dbraw/zinc/89/63/73/190896373.db2.gz FGDFOAIBIRYRRI-UHFFFAOYSA-N 1 0 314.408 3.311 10 0 DGAERO O=C(Nc1cccc(CSc2ccccn2)c1)[C@@H]1CCC[NH2+]1 ZINC000070811892 190918745 /nfs/dbraw/zinc/91/87/45/190918745.db2.gz BYKVBRBEXAYAII-HNNXBMFYSA-N 1 0 313.426 3.064 10 0 DGAERO c1cncc(-c2cccc(C[NH2+]C3CCN(C4CC4)CC3)c2)c1 ZINC000130373534 432023004 /nfs/dbraw/zinc/02/30/04/432023004.db2.gz IEUJASWXNKLVEK-UHFFFAOYSA-N 1 0 307.441 3.465 10 0 DGAERO Cc1[nH]nc(C(C)C)c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000138226432 186014923 /nfs/dbraw/zinc/01/49/23/186014923.db2.gz OOKLZSPBIASLLD-ZDUSSCGKSA-N 1 0 320.481 3.082 10 0 DGAERO Cc1cc(NC2CC[NH+](C(C)C)CC2)nc(-c2ccncc2)n1 ZINC000140876887 186028752 /nfs/dbraw/zinc/02/87/52/186028752.db2.gz OTNOGKXJJCSGJW-UHFFFAOYSA-N 1 0 311.433 3.132 10 0 DGAERO Cc1ccc(CC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000152427426 186071802 /nfs/dbraw/zinc/07/18/02/186071802.db2.gz MNMPXPJUBZDDCQ-QGZVFWFLSA-N 1 0 310.445 3.344 10 0 DGAERO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000152504283 186080270 /nfs/dbraw/zinc/08/02/70/186080270.db2.gz IOSHQWXPJBTJPU-HIFRSBDPSA-N 1 0 322.449 3.103 10 0 DGAERO O=C(CCCc1ccc(F)c(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000152516529 186080527 /nfs/dbraw/zinc/08/05/27/186080527.db2.gz NODVIJYYTGSOMS-UHFFFAOYSA-N 1 0 322.399 3.031 10 0 DGAERO CC(C)Cc1ncc(C[NH2+][C@@H](CO)Cc2ccccc2)s1 ZINC000152682271 186096897 /nfs/dbraw/zinc/09/68/97/186096897.db2.gz YUVCVPYAYYEILQ-OAHLLOKOSA-N 1 0 304.459 3.035 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(SC(F)F)cc1 ZINC000155696336 186104373 /nfs/dbraw/zinc/10/43/73/186104373.db2.gz XRYMFLKABXBYCD-PHIMTYICSA-N 1 0 314.401 3.166 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1sccc1OC(F)F ZINC000152569132 186085436 /nfs/dbraw/zinc/08/54/36/186085436.db2.gz PJWYIKTUJKARDO-JTQLQIEISA-N 1 0 320.405 3.056 10 0 DGAERO Cc1ccc(F)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171502784 186169360 /nfs/dbraw/zinc/16/93/60/186169360.db2.gz XHISAHOMIINEKV-HNNXBMFYSA-N 1 0 305.397 3.226 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)OCC(C)C)CC2)o1 ZINC000181917006 186219057 /nfs/dbraw/zinc/21/90/57/186219057.db2.gz HKOVUACSQPZPCJ-AWEZNQCLSA-N 1 0 308.422 3.496 10 0 DGAERO CNC(=O)C(C)(C)C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000183840055 186222789 /nfs/dbraw/zinc/22/27/89/186222789.db2.gz MANYOLAOIPLIQN-SFHVURJKSA-N 1 0 310.441 3.446 10 0 DGAERO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000183866980 186225037 /nfs/dbraw/zinc/22/50/37/186225037.db2.gz ASUWCSOJNLQKPC-GDBMZVCRSA-N 1 0 309.413 3.166 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2csc(-c3ccoc3)n2)C1 ZINC000187988597 186239693 /nfs/dbraw/zinc/23/96/93/186239693.db2.gz PWZYUFXFJZGVFH-LRDDRELGSA-N 1 0 306.431 3.386 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1F ZINC000237472729 186294778 /nfs/dbraw/zinc/29/47/78/186294778.db2.gz LYSDJUPIDBNDQE-CSFVBSKPSA-N 1 0 304.409 3.232 10 0 DGAERO CCCn1cc(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)cn1 ZINC000130450352 432026083 /nfs/dbraw/zinc/02/60/83/432026083.db2.gz QYJMHYOCTJSFDF-GOSISDBHSA-N 1 0 317.408 3.314 10 0 DGAERO CCCNC(=O)C1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000182039434 199377798 /nfs/dbraw/zinc/37/77/98/199377798.db2.gz NXSDEOKCZCXQJN-MRXNPFEDSA-N 1 0 302.462 3.103 10 0 DGAERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(Cl)cc1F ZINC000130506813 432026924 /nfs/dbraw/zinc/02/69/24/432026924.db2.gz LWIYKHFPGMQGKO-NWDGAFQWSA-N 1 0 310.800 3.096 10 0 DGAERO CCCOc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000171891167 198002202 /nfs/dbraw/zinc/00/22/02/198002202.db2.gz AYIWFKONJBAUFH-HNNXBMFYSA-N 1 0 317.433 3.096 10 0 DGAERO CCCOc1cc(C)ccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171890612 198002365 /nfs/dbraw/zinc/00/23/65/198002365.db2.gz WGKPATIYLLAIRE-HNNXBMFYSA-N 1 0 317.433 3.096 10 0 DGAERO COC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000171995689 198022225 /nfs/dbraw/zinc/02/22/25/198022225.db2.gz NXEWGXDTEBQTAI-UHFFFAOYSA-N 1 0 318.461 3.104 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccccc1F)CC2 ZINC000171981212 198019907 /nfs/dbraw/zinc/01/99/07/198019907.db2.gz HDOGXIGXXTVUKC-QWHCGFSZSA-N 1 0 302.397 3.206 10 0 DGAERO COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172056387 198032233 /nfs/dbraw/zinc/03/22/33/198032233.db2.gz PTAPYDLBFIDVAP-LBPRGKRZSA-N 1 0 305.809 3.072 10 0 DGAERO Cn1cnc(CC[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000313264058 282770751 /nfs/dbraw/zinc/77/07/51/282770751.db2.gz MRWQIAQMWQQOIL-HNNXBMFYSA-N 1 0 320.234 3.002 10 0 DGAERO CC[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000172143309 198046796 /nfs/dbraw/zinc/04/67/96/198046796.db2.gz QPHSLHHOSAUPTN-CHWSQXEVSA-N 1 0 309.429 3.121 10 0 DGAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCC2)c(OC)c1 ZINC000172170084 198051538 /nfs/dbraw/zinc/05/15/38/198051538.db2.gz AYCPDZRGYSFZBZ-QWHCGFSZSA-N 1 0 320.433 3.199 10 0 DGAERO Oc1cccc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1 ZINC000072453545 191171787 /nfs/dbraw/zinc/17/17/87/191171787.db2.gz HUHWBFSOKITEJH-FQEVSTJZSA-N 1 0 322.452 3.067 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)N1CCC(C)CC1 ZINC000072553806 191192148 /nfs/dbraw/zinc/19/21/48/191192148.db2.gz ILCQPRLEUMJGAK-STQMWFEESA-N 1 0 310.388 3.262 10 0 DGAERO Cc1nc(C)c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000172771084 198147267 /nfs/dbraw/zinc/14/72/67/198147267.db2.gz WTTJQBNXTZJSBV-AWEZNQCLSA-N 1 0 302.447 3.089 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000173465567 198217785 /nfs/dbraw/zinc/21/77/85/198217785.db2.gz WNOPOECGIMJRLR-GJZGRUSLSA-N 1 0 307.438 3.165 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(Cl)c1 ZINC000173387414 198209073 /nfs/dbraw/zinc/20/90/73/198209073.db2.gz QYJXDOQUKYEQHT-BBRMVZONSA-N 1 0 319.836 3.057 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2cccc(Br)c2)n1 ZINC000173391091 198209839 /nfs/dbraw/zinc/20/98/39/198209839.db2.gz BROWIVHCVPJYAL-VIFPVBQESA-N 1 0 310.195 3.034 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173396787 198210275 /nfs/dbraw/zinc/21/02/75/198210275.db2.gz AXQRNBMLXYIHKN-VKJFTORMSA-N 1 0 317.477 3.434 10 0 DGAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1ccncc1 ZINC000067529140 432031949 /nfs/dbraw/zinc/03/19/49/432031949.db2.gz RZEFFFGLVYWHGG-SFHVURJKSA-N 1 0 324.428 3.258 10 0 DGAERO C[C@@H](C[NH2+]CCc1cccc(C(=O)N(C)C)c1)Cc1ccccc1 ZINC000182063163 199381179 /nfs/dbraw/zinc/38/11/79/199381179.db2.gz NSBQQZKVPLWLHF-QGZVFWFLSA-N 1 0 324.468 3.399 10 0 DGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](C)c1cccnc1 ZINC000174087432 198289986 /nfs/dbraw/zinc/28/99/86/198289986.db2.gz HZVLBKPZSSBOQC-INIZCTEOSA-N 1 0 305.466 3.012 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000174137471 198296622 /nfs/dbraw/zinc/29/66/22/198296622.db2.gz HTJQLGXRCADZFV-OAHLLOKOSA-N 1 0 318.461 3.037 10 0 DGAERO Cc1cc(C)cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107528072 432033074 /nfs/dbraw/zinc/03/30/74/432033074.db2.gz NWRWSISBTOPAFE-GOSISDBHSA-N 1 0 300.446 3.394 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)n1 ZINC000174377528 198327286 /nfs/dbraw/zinc/32/72/86/198327286.db2.gz GOCPEETVTKBOOS-MSOLQXFVSA-N 1 0 312.413 3.178 10 0 DGAERO CCc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174405406 198331002 /nfs/dbraw/zinc/33/10/02/198331002.db2.gz OBVJKCBFEQDHRR-ALOPSCKCSA-N 1 0 301.434 3.386 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000131080609 432033313 /nfs/dbraw/zinc/03/33/13/432033313.db2.gz HQKTVGBTKJGSJF-CQSZACIVSA-N 1 0 303.837 3.462 10 0 DGAERO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000174536846 198349301 /nfs/dbraw/zinc/34/93/01/198349301.db2.gz UTDDWPUJAQVRPK-HZTRTUMWSA-N 1 0 301.434 3.062 10 0 DGAERO O=C(c1cccc2ncccc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107531143 432033596 /nfs/dbraw/zinc/03/35/96/432033596.db2.gz MVWQJDDTUHFGNW-MRXNPFEDSA-N 1 0 323.440 3.325 10 0 DGAERO CC(C)[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1F ZINC000182131564 199390729 /nfs/dbraw/zinc/39/07/29/199390729.db2.gz RUWLPXNXDQNAIG-MLGOLLRUSA-N 1 0 322.815 3.372 10 0 DGAERO Cc1cccc(CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107529614 432034008 /nfs/dbraw/zinc/03/40/08/432034008.db2.gz KOFZIHIHEVLORW-SFHVURJKSA-N 1 0 300.446 3.014 10 0 DGAERO CN1CC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)[C@@H]1c1ccccc1 ZINC000179045568 432036327 /nfs/dbraw/zinc/03/63/27/432036327.db2.gz JMXKZJWTCHSJNI-CTNGQTDRSA-N 1 0 320.436 3.497 10 0 DGAERO C[C@@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)Cc1cccc(F)c1 ZINC000073177888 191289373 /nfs/dbraw/zinc/28/93/73/191289373.db2.gz LVFHDZVGASCWJM-OAHLLOKOSA-N 1 0 318.436 3.091 10 0 DGAERO CC(C)CCOc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236774230 202002864 /nfs/dbraw/zinc/00/28/64/202002864.db2.gz IYQISHNLHHIYGF-DOTOQJQBSA-N 1 0 318.461 3.245 10 0 DGAERO CCc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)oc1CC ZINC000131488815 432038615 /nfs/dbraw/zinc/03/86/15/432038615.db2.gz HOTUTCVIBQKEKA-GJZGRUSLSA-N 1 0 304.434 3.103 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)cc1F ZINC000067766474 432038826 /nfs/dbraw/zinc/03/88/26/432038826.db2.gz ZYIJHQKRDGCXJM-KBPBESRZSA-N 1 0 322.424 3.132 10 0 DGAERO CCN(CC)C(=O)c1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000236805128 202018650 /nfs/dbraw/zinc/01/86/50/202018650.db2.gz AGHFVBISTPVIAF-UHFFFAOYSA-N 1 0 319.449 3.016 10 0 DGAERO CCC[C@H](C(=O)N(C)Cc1cc(Cl)ccc1OC)[NH+](C)C ZINC000179119198 432042400 /nfs/dbraw/zinc/04/24/00/432042400.db2.gz GVOWUHXQQSNSGN-CQSZACIVSA-N 1 0 312.841 3.037 10 0 DGAERO Cc1nc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C)s1 ZINC000179124431 432043646 /nfs/dbraw/zinc/04/36/46/432043646.db2.gz LAVOVPLNNRBZNU-GFCCVEGCSA-N 1 0 309.479 3.002 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000179145552 432044852 /nfs/dbraw/zinc/04/48/52/432044852.db2.gz UKDAQRJPUADXMT-MOPGFXCFSA-N 1 0 308.425 3.154 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000179145563 432045426 /nfs/dbraw/zinc/04/54/26/432045426.db2.gz UKDAQRJPUADXMT-RBUKOAKNSA-N 1 0 308.425 3.154 10 0 DGAERO CCc1nc(-c2ccccc2F)nc(N2CCC([NH3+])CC2)c1C ZINC000073663125 191338908 /nfs/dbraw/zinc/33/89/08/191338908.db2.gz PVTVQANQEUSDBF-UHFFFAOYSA-N 1 0 314.408 3.081 10 0 DGAERO CCc1nc(-c2ccccc2)nc(NCC2CC[NH2+]CC2)c1C ZINC000073684266 191341661 /nfs/dbraw/zinc/34/16/61/191341661.db2.gz UYVZFVSYKYOTHS-UHFFFAOYSA-N 1 0 310.445 3.426 10 0 DGAERO O=C(C[C@@H]1CCC[N@@H+]1CC1CCOCC1)c1ccc(F)cc1 ZINC000179162419 432047007 /nfs/dbraw/zinc/04/70/07/432047007.db2.gz ZIWCJIFSXNVKHT-KRWDZBQOSA-N 1 0 305.393 3.290 10 0 DGAERO CCOCCN1CC[N@H+](C[C@@H](C)Cc2ccccc2)C[C@H]1CC ZINC000132327126 432047537 /nfs/dbraw/zinc/04/75/37/432047537.db2.gz PYPVJMJVPDOYQC-AZUAARDMSA-N 1 0 318.505 3.298 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000179193829 432050129 /nfs/dbraw/zinc/05/01/29/432050129.db2.gz RGMWNHMMSFVAFX-CQSZACIVSA-N 1 0 320.864 3.215 10 0 DGAERO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](O)COc1ccccc1F ZINC000068047628 432050312 /nfs/dbraw/zinc/05/03/12/432050312.db2.gz VIJPZXLNDUJUEJ-OAHLLOKOSA-N 1 0 323.795 3.351 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ncc(Br)s2)C1 ZINC000179210170 432050581 /nfs/dbraw/zinc/05/05/81/432050581.db2.gz LJLSSZXYDSHESB-UWVGGRQHSA-N 1 0 318.284 3.041 10 0 DGAERO COc1cccc2cc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)oc21 ZINC000164654494 432050566 /nfs/dbraw/zinc/05/05/66/432050566.db2.gz DHORABQZIQJBRO-QSRBQVKKSA-N 1 0 309.431 3.249 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000179245382 432051346 /nfs/dbraw/zinc/05/13/46/432051346.db2.gz NRTJTTPHCHXKTR-UXLLHSPISA-N 1 0 300.446 3.048 10 0 DGAERO Cc1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(C)o1 ZINC000078735086 191922128 /nfs/dbraw/zinc/92/21/28/191922128.db2.gz WBVWSOJOAKXMQU-UHFFFAOYSA-N 1 0 304.365 3.027 10 0 DGAERO Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179264736 432052418 /nfs/dbraw/zinc/05/24/18/432052418.db2.gz SQSIYTYLYXBAAC-RTBURBONSA-N 1 0 323.440 3.240 10 0 DGAERO C[C@H](CNC(=O)N[C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000079810936 191974867 /nfs/dbraw/zinc/97/48/67/191974867.db2.gz YPMCVNOSTACVLQ-QAPCUYQASA-N 1 0 315.461 3.095 10 0 DGAERO CCCCN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179266217 432052526 /nfs/dbraw/zinc/05/25/26/432052526.db2.gz GBTRYLUEJKSUII-DLBZAZTESA-N 1 0 303.450 3.263 10 0 DGAERO COc1ccc2oc(C[NH2+][C@@H]3Cc4ccccc4[C@@H]3O)cc2c1 ZINC000179307258 432054121 /nfs/dbraw/zinc/05/41/21/432054121.db2.gz PUNJDWOVIJTNPN-MJGOQNOKSA-N 1 0 309.365 3.189 10 0 DGAERO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cc2ccccc2s1 ZINC000184380925 199709242 /nfs/dbraw/zinc/70/92/42/199709242.db2.gz PFEFNGYLULYLGH-LBPRGKRZSA-N 1 0 323.483 3.377 10 0 DGAERO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccnc1-n1cncn1 ZINC000179400714 432056703 /nfs/dbraw/zinc/05/67/03/432056703.db2.gz PGAQUDYNESPIGM-YOEHRIQHSA-N 1 0 319.412 3.309 10 0 DGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000179436338 432058174 /nfs/dbraw/zinc/05/81/74/432058174.db2.gz GKXWGBNTOWIPDC-OCCSQVGLSA-N 1 0 316.376 3.172 10 0 DGAERO C[C@@H]1CCC[N@H+](CCNC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000081543565 192287200 /nfs/dbraw/zinc/28/72/00/192287200.db2.gz SRFCUAOGHLHDAC-FIMWJMCYSA-N 1 0 304.409 3.077 10 0 DGAERO CCC[C@H](C(=O)N[C@H](C)c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000179452516 432059318 /nfs/dbraw/zinc/05/93/18/432059318.db2.gz NMGFQZCOQYKBRZ-RHSMWYFYSA-N 1 0 306.450 3.381 10 0 DGAERO CC[NH2+]CCNC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000236891660 202056579 /nfs/dbraw/zinc/05/65/79/202056579.db2.gz VBIGEOREBHNFER-UHFFFAOYSA-N 1 0 324.468 3.204 10 0 DGAERO CCOc1cccc2cc([C@H](C)NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)oc21 ZINC000236989972 202110297 /nfs/dbraw/zinc/11/02/97/202110297.db2.gz VXGYFZCHGULQGO-IACUBPJLSA-N 1 0 316.401 3.136 10 0 DGAERO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(C)(C)c1ccccc1 ZINC000237024796 202126803 /nfs/dbraw/zinc/12/68/03/202126803.db2.gz CXVPIQMRMJDPCW-OIISXLGYSA-N 1 0 302.462 3.377 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)c(F)cc1Cl ZINC000133352529 432061309 /nfs/dbraw/zinc/06/13/09/432061309.db2.gz LSRMFDIRZMFBKL-GFCCVEGCSA-N 1 0 312.816 3.344 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)cc(F)c1 ZINC000166568215 432061513 /nfs/dbraw/zinc/06/15/13/432061513.db2.gz XJFDGNVYKJJRGV-WBMJQRKESA-N 1 0 320.387 3.018 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(OC)cc1OC ZINC000237093153 202152429 /nfs/dbraw/zinc/15/24/29/202152429.db2.gz BDVXSPVMLZAMQS-UHFFFAOYSA-N 1 0 314.385 3.066 10 0 DGAERO C[NH2+]C1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000237106062 202155754 /nfs/dbraw/zinc/15/57/54/202155754.db2.gz BGDFZQIXKFYVHW-UHFFFAOYSA-N 1 0 318.486 3.302 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)s1 ZINC000166640981 432062041 /nfs/dbraw/zinc/06/20/41/432062041.db2.gz WLDIDDOLDOZIBG-KGLIPLIRSA-N 1 0 318.490 3.364 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1sccc1Br ZINC000166880596 432063192 /nfs/dbraw/zinc/06/31/92/432063192.db2.gz PDUSRFMBTXTORB-ZJUUUORDSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@@H](Cc1ccccc1Cl)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000133437523 432063789 /nfs/dbraw/zinc/06/37/89/432063789.db2.gz VQXYKNKAHRLFCH-GOEBONIOSA-N 1 0 320.864 3.215 10 0 DGAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000237258569 202208442 /nfs/dbraw/zinc/20/84/42/202208442.db2.gz VRWQYTGDJGHRRA-ZDUSSCGKSA-N 1 0 316.376 3.157 10 0 DGAERO CC[C@H]([NH2+]C[C@H](O)c1ccccc1OC)c1ccc(OC)cc1 ZINC000178445566 198870138 /nfs/dbraw/zinc/87/01/38/198870138.db2.gz JGEKYDQBZVHROI-ROUUACIJSA-N 1 0 315.413 3.478 10 0 DGAERO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)o1 ZINC000179748603 432069411 /nfs/dbraw/zinc/06/94/11/432069411.db2.gz LZRDIWORNKHITJ-UHFFFAOYSA-N 1 0 312.413 3.116 10 0 DGAERO Cc1nc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c(C)s1 ZINC000178836436 198939126 /nfs/dbraw/zinc/93/91/26/198939126.db2.gz ZYRJXKPSXGRWDQ-UHFFFAOYSA-N 1 0 303.431 3.382 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](Cc3cnn4ccccc34)C2)n1 ZINC000179826967 432072036 /nfs/dbraw/zinc/07/20/36/432072036.db2.gz PKUDZCLXQWKRCT-CQSZACIVSA-N 1 0 312.442 3.479 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ncc(Br)s1 ZINC000179233266 199002180 /nfs/dbraw/zinc/00/21/80/199002180.db2.gz IFWPLRVSNKXYCR-GUBZILKMSA-N 1 0 319.268 3.107 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)c1nc(C)sc1C)c1ccco1 ZINC000179256299 199005676 /nfs/dbraw/zinc/00/56/76/199005676.db2.gz BTGSOUAWNJJFSM-ZDUSSCGKSA-N 1 0 321.446 3.166 10 0 DGAERO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@H]1CCOC1 ZINC000179454894 199037882 /nfs/dbraw/zinc/03/78/82/199037882.db2.gz YTQDBQSPFQOAAN-JSGCOSHPSA-N 1 0 304.365 3.038 10 0 DGAERO CCC[C@@H](C)C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000179900208 432073594 /nfs/dbraw/zinc/07/35/94/432073594.db2.gz PLWVFQQPJVGOJS-QGZVFWFLSA-N 1 0 303.494 3.457 10 0 DGAERO CCC[C@@H](C[NH+]1CCC(C(=O)N(C)C)CC1)c1ccccc1 ZINC000179590496 199060533 /nfs/dbraw/zinc/06/05/33/199060533.db2.gz PXIRGRZEKISPEP-SFHVURJKSA-N 1 0 302.462 3.371 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccccn2)CC1 ZINC000179604173 199062459 /nfs/dbraw/zinc/06/24/59/199062459.db2.gz OBKAPSIZRKGXJE-INIZCTEOSA-N 1 0 310.445 3.397 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](CCOc3ccc(F)cc3Cl)C2)cn1 ZINC000179612090 199064421 /nfs/dbraw/zinc/06/44/21/199064421.db2.gz FYWWSVIPFVFGAO-GFCCVEGCSA-N 1 0 323.799 3.081 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)C1CCOCC1 ZINC000179843704 199087245 /nfs/dbraw/zinc/08/72/45/199087245.db2.gz SFWSXWUVJMKJRQ-CYBMUJFWSA-N 1 0 322.474 3.365 10 0 DGAERO Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180092669 199115817 /nfs/dbraw/zinc/11/58/17/199115817.db2.gz SVUGUYZEKOVSJD-QGZVFWFLSA-N 1 0 314.408 3.025 10 0 DGAERO CCCn1nc(C)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1C ZINC000180120967 199119234 /nfs/dbraw/zinc/11/92/34/199119234.db2.gz UTSLELKOVYODIZ-QGZVFWFLSA-N 1 0 315.465 3.079 10 0 DGAERO CC[C@@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C(N)=O ZINC000180067784 199114003 /nfs/dbraw/zinc/11/40/03/199114003.db2.gz RTADGGCKASVJTN-OLZOCXBDSA-N 1 0 300.324 3.010 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1 ZINC000180140094 199122319 /nfs/dbraw/zinc/12/23/19/199122319.db2.gz CZXKMQGTINRYQR-SJORKVTESA-N 1 0 316.351 3.140 10 0 DGAERO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccs1 ZINC000180136753 199122749 /nfs/dbraw/zinc/12/27/49/199122749.db2.gz PWMFRSWPUMKXPF-JLJPHGGASA-N 1 0 314.454 3.413 10 0 DGAERO COCc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180162213 199125307 /nfs/dbraw/zinc/12/53/07/199125307.db2.gz LRICKEFAJDTFAT-MOPGFXCFSA-N 1 0 324.424 3.008 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@@H]1c1ccccc1 ZINC000180172083 199126344 /nfs/dbraw/zinc/12/63/44/199126344.db2.gz ZUVLFTTWBXAEQL-HKUYNNGSSA-N 1 0 319.408 3.343 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000180184254 199127918 /nfs/dbraw/zinc/12/79/18/199127918.db2.gz HZMUNDDQIZAOGN-QUCCMNQESA-N 1 0 308.425 3.181 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000180190521 199128480 /nfs/dbraw/zinc/12/84/80/199128480.db2.gz KLHHKTWKUFMLDL-HOTGVXAUSA-N 1 0 321.852 3.185 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000180254003 199136924 /nfs/dbraw/zinc/13/69/24/199136924.db2.gz XGOJBRUVXBUIQO-WBVHZDCISA-N 1 0 318.461 3.114 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCO2)cc1NC(C)=O ZINC000180267060 199138439 /nfs/dbraw/zinc/13/84/39/199138439.db2.gz ZASYPCWVXQNOHI-CZUORRHYSA-N 1 0 320.433 3.263 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000394910584 293834995 /nfs/dbraw/zinc/83/49/95/293834995.db2.gz CWZZLNHNRGTROK-QWRGUYRKSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H](NC(=O)Nc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180303030 199144271 /nfs/dbraw/zinc/14/42/71/199144271.db2.gz RVWSQXDDDKDXMU-HUUCEWRRSA-N 1 0 301.434 3.461 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000237334064 202235747 /nfs/dbraw/zinc/23/57/47/202235747.db2.gz RFYTYXAGGYFAQZ-LLVKDONJSA-N 1 0 317.414 3.066 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1cncc(F)c1)NC(=O)OC(C)(C)C ZINC000180514567 199169729 /nfs/dbraw/zinc/16/97/29/199169729.db2.gz AWIFWPKNZLJDQS-NEPJUHHUSA-N 1 0 311.401 3.175 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180574791 199178966 /nfs/dbraw/zinc/17/89/66/199178966.db2.gz SEKMOPOPSZAMKI-ZDUSSCGKSA-N 1 0 320.330 3.324 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(SC(F)F)cc1 ZINC000180597404 199182550 /nfs/dbraw/zinc/18/25/50/199182550.db2.gz ZGIVQNBNNRCQPT-PWSUYJOCSA-N 1 0 324.400 3.258 10 0 DGAERO Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ncnn3C1)CCS2 ZINC000180602062 199183153 /nfs/dbraw/zinc/18/31/53/199183153.db2.gz GNQHBAMAYNSIOE-WCQYABFASA-N 1 0 320.849 3.073 10 0 DGAERO COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000180614802 199185181 /nfs/dbraw/zinc/18/51/81/199185181.db2.gz UJSJVXFVDVEVNW-CRAIPNDOSA-N 1 0 313.445 3.468 10 0 DGAERO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000180015826 432076382 /nfs/dbraw/zinc/07/63/82/432076382.db2.gz XATIZIOQIKVARM-PBHICJAKSA-N 1 0 310.445 3.011 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1Cc1cccc2nccn21)c1ccccc1 ZINC000180667008 199193295 /nfs/dbraw/zinc/19/32/95/199193295.db2.gz UQHGTDSNRPDFIX-IEBWSBKVSA-N 1 0 321.424 3.422 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cccc2nccn21)c1ccccc1 ZINC000180666972 199193384 /nfs/dbraw/zinc/19/33/84/199193384.db2.gz UQHGTDSNRPDFIX-PKOBYXMFSA-N 1 0 321.424 3.422 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)on1 ZINC000180720144 199201179 /nfs/dbraw/zinc/20/11/79/199201179.db2.gz GJQOYCXHLJLZDX-SECBINFHSA-N 1 0 311.744 3.065 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(F)c(Cl)c1 ZINC000180742069 199203437 /nfs/dbraw/zinc/20/34/37/199203437.db2.gz LDIGZWZINVJVQB-JQWIXIFHSA-N 1 0 303.805 3.306 10 0 DGAERO c1nnc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)n1C1CC1 ZINC000180878181 199222841 /nfs/dbraw/zinc/22/28/41/199222841.db2.gz HJEZERUEUDFYIB-SFHVURJKSA-N 1 0 322.456 3.481 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1F ZINC000180903030 199225628 /nfs/dbraw/zinc/22/56/28/199225628.db2.gz QKEMFQZMRKOMRE-YOEHRIQHSA-N 1 0 314.408 3.325 10 0 DGAERO COC[C@@H](O)CC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000181038389 199244310 /nfs/dbraw/zinc/24/43/10/199244310.db2.gz HRHJPSLSPBTBNR-AZUAARDMSA-N 1 0 313.441 3.380 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)[C@@H](C)C2 ZINC000180076880 432078441 /nfs/dbraw/zinc/07/84/41/432078441.db2.gz WOTPOLDBKWXBMZ-KXBFYZLASA-N 1 0 314.473 3.465 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc1O ZINC000180093663 432078263 /nfs/dbraw/zinc/07/82/63/432078263.db2.gz VTRDTDPEOXQGDU-HOCLYGCPSA-N 1 0 317.385 3.082 10 0 DGAERO Cc1cnn([C@H]2CCC[N@@H+](Cc3cn(C)nc3C(C)(C)C)C2)c1 ZINC000180140920 432079053 /nfs/dbraw/zinc/07/90/53/432079053.db2.gz SJMWQUFUDSGIRE-INIZCTEOSA-N 1 0 315.465 3.060 10 0 DGAERO CSCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180136243 432079432 /nfs/dbraw/zinc/07/94/32/432079432.db2.gz KRVXECPACBYXEJ-WBVHZDCISA-N 1 0 306.475 3.081 10 0 DGAERO O=C(Cc1ccccc1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000170760271 432079787 /nfs/dbraw/zinc/07/97/87/432079787.db2.gz JKFIQRCTDPQZID-GOSISDBHSA-N 1 0 306.409 3.240 10 0 DGAERO O=C(C1CCC(F)(F)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000134601609 432080623 /nfs/dbraw/zinc/08/06/23/432080623.db2.gz XECJOWUVTHFHLE-UHFFFAOYSA-N 1 0 314.420 3.146 10 0 DGAERO CCCn1cc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cn1 ZINC000180283473 432082840 /nfs/dbraw/zinc/08/28/40/432082840.db2.gz UBMCLRPPJGPZDI-FPTDNZKUSA-N 1 0 319.474 3.224 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(OC)c2)C12CCOCC2 ZINC000186429304 199956163 /nfs/dbraw/zinc/95/61/63/199956163.db2.gz DAENXPODNZSREE-ROUUACIJSA-N 1 0 319.445 3.067 10 0 DGAERO c1nc(C2CCC2)sc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415060884 237046714 /nfs/dbraw/zinc/04/67/14/237046714.db2.gz ZFAKHVHPZBAPLG-GDBMZVCRSA-N 1 0 305.491 3.375 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000186742977 200002188 /nfs/dbraw/zinc/00/21/88/200002188.db2.gz GLSSBGHCAJNKBY-RISCZKNCSA-N 1 0 318.417 3.282 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000186917189 200030027 /nfs/dbraw/zinc/03/00/27/200030027.db2.gz MGIHAZQQKFOBKB-KGLIPLIRSA-N 1 0 309.475 3.113 10 0 DGAERO C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc2ccccc21 ZINC000170863143 432084849 /nfs/dbraw/zinc/08/48/49/432084849.db2.gz MVNMUZKQDDIRPR-GOEBONIOSA-N 1 0 311.429 3.246 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)s1 ZINC000180401351 432084982 /nfs/dbraw/zinc/08/49/82/432084982.db2.gz RUGVLVMTECNZCG-ZWNOBZJWSA-N 1 0 301.415 3.228 10 0 DGAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000187687823 200144843 /nfs/dbraw/zinc/14/48/43/200144843.db2.gz HJAVTUHYSDYUMY-WFASDCNBSA-N 1 0 302.422 3.380 10 0 DGAERO C[C@@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000237517336 202268985 /nfs/dbraw/zinc/26/89/85/202268985.db2.gz LWEKOQAQWOJVGE-RDGKXADDSA-N 1 0 304.409 3.061 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2csc(-c3ccco3)n2)C1 ZINC000187904052 200174360 /nfs/dbraw/zinc/17/43/60/200174360.db2.gz UKFWCLOJIFVMRO-LRDDRELGSA-N 1 0 306.431 3.386 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+]CC[C@H]1c2ccccc2NC1=O ZINC000180382355 432085535 /nfs/dbraw/zinc/08/55/35/432085535.db2.gz RSCXLMCRLMWTLS-CJNGLKHVSA-N 1 0 310.397 3.472 10 0 DGAERO C[C@@H](C(=O)N(C)Cc1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC000237689286 202328428 /nfs/dbraw/zinc/32/84/28/202328428.db2.gz VEYXWHVHUJDFFI-DYVFJYSZSA-N 1 0 300.377 3.120 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(F)c(Cl)cc1F ZINC000134803230 432086225 /nfs/dbraw/zinc/08/62/25/432086225.db2.gz MVMWKJGXOCKHEG-SNVBAGLBSA-N 1 0 316.779 3.175 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(Cl)c1 ZINC000416832432 237594293 /nfs/dbraw/zinc/59/42/93/237594293.db2.gz QKRHYNZBGDBWPE-YUELXQCFSA-N 1 0 321.852 3.042 10 0 DGAERO COc1ccc(OC)c([C@@H](C)[NH2+]CCCCCn2cccn2)c1 ZINC000170906267 432086417 /nfs/dbraw/zinc/08/64/17/432086417.db2.gz AWIUJPLKRZZHJL-OAHLLOKOSA-N 1 0 317.433 3.421 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000237834224 202365938 /nfs/dbraw/zinc/36/59/38/202365938.db2.gz LLBISYVINMDRQE-GXFFZTMASA-N 1 0 306.793 3.252 10 0 DGAERO FC(F)(F)c1ccc(OCC[NH2+]CC2CCOCC2)cc1 ZINC000237844730 202369342 /nfs/dbraw/zinc/36/93/42/202369342.db2.gz NEQSZAGLTBTXST-UHFFFAOYSA-N 1 0 303.324 3.100 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@H](O)CC2CCCC2)cc1OC ZINC000188631457 200278346 /nfs/dbraw/zinc/27/83/46/200278346.db2.gz MOSVLFCFBPRKOK-XJKSGUPXSA-N 1 0 307.434 3.296 10 0 DGAERO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000238020189 202421029 /nfs/dbraw/zinc/42/10/29/202421029.db2.gz HGWABHMWPVWMKR-UKRRQHHQSA-N 1 0 316.376 3.333 10 0 DGAERO CCC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccn1 ZINC000180507815 432087816 /nfs/dbraw/zinc/08/78/16/432087816.db2.gz STFBNYVBAWUQPC-GDBMZVCRSA-N 1 0 313.449 3.242 10 0 DGAERO C[C@@H](CCc1ccccc1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000170940049 432088045 /nfs/dbraw/zinc/08/80/45/432088045.db2.gz JIUKWLYUCDZSAK-PKOBYXMFSA-N 1 0 324.472 3.399 10 0 DGAERO COc1c(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c(C)nn1C ZINC000189407466 200396221 /nfs/dbraw/zinc/39/62/21/200396221.db2.gz MUVAVLVOJDFAOK-SJORKVTESA-N 1 0 313.445 3.238 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)CC2 ZINC000180534105 432088772 /nfs/dbraw/zinc/08/87/72/432088772.db2.gz UESZSGWDMWJTRP-AEFFLSMTSA-N 1 0 310.445 3.457 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)CC2 ZINC000180534158 432089210 /nfs/dbraw/zinc/08/92/10/432089210.db2.gz UESZSGWDMWJTRP-FUHWJXTLSA-N 1 0 310.445 3.457 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@@]3(CCOC3)C2)cc2c1OCC2 ZINC000449678963 240362812 /nfs/dbraw/zinc/36/28/12/240362812.db2.gz GUOJUVPTYUAZKC-LJQANCHMSA-N 1 0 301.430 3.057 10 0 DGAERO COC(C)(C)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000170967691 432089907 /nfs/dbraw/zinc/08/99/07/432089907.db2.gz HWZRUYPDTXDWQQ-UHFFFAOYSA-N 1 0 304.434 3.412 10 0 DGAERO COCC(C)(C)[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000429248188 238044743 /nfs/dbraw/zinc/04/47/43/238044743.db2.gz MDIGMKFSWFUANS-UHFFFAOYSA-N 1 0 304.203 3.445 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000134926682 432090221 /nfs/dbraw/zinc/09/02/21/432090221.db2.gz YJWUVUCSTSSMPA-KGLIPLIRSA-N 1 0 303.454 3.272 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1c(F)cccc1F ZINC000134938014 432090285 /nfs/dbraw/zinc/09/02/85/432090285.db2.gz LXEXMBZHGGDFGT-UONOGXRCSA-N 1 0 324.415 3.305 10 0 DGAERO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000191039154 200620327 /nfs/dbraw/zinc/62/03/27/200620327.db2.gz ZLPOYSDAYPQKRW-LBPRGKRZSA-N 1 0 319.417 3.220 10 0 DGAERO CN(C(=O)CC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000134955584 432092312 /nfs/dbraw/zinc/09/23/12/432092312.db2.gz XYJKVGWUBUJZML-UHFFFAOYSA-N 1 0 300.377 3.311 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](Cc1cccc(C)c1)C1CC1)CC2 ZINC000180633040 432092874 /nfs/dbraw/zinc/09/28/74/432092874.db2.gz PDGVXKUSSBNCAO-QZTJIDSGSA-N 1 0 324.472 3.075 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000449684400 240368309 /nfs/dbraw/zinc/36/83/09/240368309.db2.gz KZGBPSFTCBGMRV-IBGZPJMESA-N 1 0 301.430 3.478 10 0 DGAERO c1cn(Cc2ccccc2)c(CNC[C@@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000434789722 238247053 /nfs/dbraw/zinc/24/70/53/238247053.db2.gz NOCDUSBRAIJZJO-IBGZPJMESA-N 1 0 324.472 3.038 10 0 DGAERO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C1(C)C ZINC000435133161 238277630 /nfs/dbraw/zinc/27/76/30/238277630.db2.gz PLUIENTUBKNIBV-RDJZCZTQSA-N 1 0 303.406 3.305 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1cccc(C)c1)C1CC1)CC2 ZINC000180633004 432093752 /nfs/dbraw/zinc/09/37/52/432093752.db2.gz PDGVXKUSSBNCAO-MSOLQXFVSA-N 1 0 324.472 3.075 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c(Cl)cnn1C ZINC000189828998 432094070 /nfs/dbraw/zinc/09/40/70/432094070.db2.gz QUGJIKTUKUUFNL-CQSZACIVSA-N 1 0 319.836 3.289 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)[C@H](C)CO ZINC000192174305 200831476 /nfs/dbraw/zinc/83/14/76/200831476.db2.gz QAWBLVXHVWUMIV-RKDXNWHRSA-N 1 0 306.631 3.209 10 0 DGAERO COC(=O)c1oc(C[NH+]2CCC(OCC(C)C)CC2)cc1C ZINC000054327587 283613778 /nfs/dbraw/zinc/61/37/78/283613778.db2.gz FAZFHTAFPLFQRC-UHFFFAOYSA-N 1 0 309.406 3.012 10 0 DGAERO CC1(C[NH2+]Cc2ccc(SC(F)F)cc2)OCCCO1 ZINC000192250186 200841538 /nfs/dbraw/zinc/84/15/38/200841538.db2.gz FDGGMQFNHVMLQY-UHFFFAOYSA-N 1 0 303.374 3.244 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000180651573 432094598 /nfs/dbraw/zinc/09/45/98/432094598.db2.gz VVLVXHXGBAPTBY-ZFWWWQNUSA-N 1 0 314.433 3.076 10 0 DGAERO CN(C(=O)CC[N@H+](C)CCc1ccc(F)cc1)c1ccccc1 ZINC000135002029 432095127 /nfs/dbraw/zinc/09/51/27/432095127.db2.gz ZNXLNQCMXYERSS-UHFFFAOYSA-N 1 0 314.404 3.353 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)o1 ZINC000180647089 432095203 /nfs/dbraw/zinc/09/52/03/432095203.db2.gz CNCWHFLXBWYHBM-CHWSQXEVSA-N 1 0 302.422 3.223 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000246096328 432095302 /nfs/dbraw/zinc/09/53/02/432095302.db2.gz IYCTWFHJCZJNIE-QXZUDOESSA-N 1 0 311.429 3.488 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1nccn1C ZINC000246092873 432095773 /nfs/dbraw/zinc/09/57/73/432095773.db2.gz WWWSGWRQUSFQAC-RCBQFDQVSA-N 1 0 318.852 3.170 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)CC2 ZINC000180647479 432095929 /nfs/dbraw/zinc/09/59/29/432095929.db2.gz RWTVYSXWWVLPJM-WCQYABFASA-N 1 0 319.840 3.116 10 0 DGAERO CCOc1cccc2cc([C@@H](C)NC(=O)CC[C@@H](C)[NH3+])oc21 ZINC000193181540 201003917 /nfs/dbraw/zinc/00/39/17/201003917.db2.gz BUPQNXFCLKGMOR-VXGBXAGGSA-N 1 0 304.390 3.136 10 0 DGAERO CCc1csc([C@H]2CCC[N@H+](Cc3ccnc(N)c3)C2)n1 ZINC000193325024 201030562 /nfs/dbraw/zinc/03/05/62/201030562.db2.gz HCBMTRXVNWKSHN-ZDUSSCGKSA-N 1 0 302.447 3.062 10 0 DGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccc1COc1ccccc1 ZINC000193612199 201085279 /nfs/dbraw/zinc/08/52/79/201085279.db2.gz VCUOPVLMXXSCJN-DNVCBOLYSA-N 1 0 324.424 3.136 10 0 DGAERO CSC1(C[NH2+]Cc2cnc3c(cnn3C(C)C)c2)CCC1 ZINC000193645319 201094569 /nfs/dbraw/zinc/09/45/69/201094569.db2.gz ACFOUKKVTYINQB-UHFFFAOYSA-N 1 0 304.463 3.388 10 0 DGAERO O=c1[nH]cc(-c2cccc(C[NH+]3CCCC3)c2)c2c(O)cccc12 ZINC000090715001 192925287 /nfs/dbraw/zinc/92/52/87/192925287.db2.gz OYLAHMDBAOXMRB-UHFFFAOYSA-N 1 0 320.392 3.497 10 0 DGAERO Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1cnn2ccccc12)N(C)C ZINC000443006848 239161924 /nfs/dbraw/zinc/16/19/24/239161924.db2.gz KCNQCKMYSIDANJ-OXQOHEQNSA-N 1 0 322.456 3.424 10 0 DGAERO Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cnn2ccccc12)N(C)C ZINC000443006847 239162808 /nfs/dbraw/zinc/16/28/08/239162808.db2.gz KCNQCKMYSIDANJ-OXJNMPFZSA-N 1 0 322.456 3.424 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)sc(=O)n3C)o1 ZINC000195119656 201342725 /nfs/dbraw/zinc/34/27/25/201342725.db2.gz DRBNHDKWGZUXCE-LLVKDONJSA-N 1 0 302.399 3.352 10 0 DGAERO Cc1ccc(NC(=O)N2CCC23CCC3)c(OCC[NH+](C)C)c1 ZINC000443914051 239240139 /nfs/dbraw/zinc/24/01/39/239240139.db2.gz DKGFHOVAFLEQPX-UHFFFAOYSA-N 1 0 317.433 3.096 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000171068712 432099556 /nfs/dbraw/zinc/09/95/56/432099556.db2.gz OPROWZFGKOIVIG-SNVBAGLBSA-N 1 0 302.205 3.161 10 0 DGAERO Cc1cccc(NC[C@H]2CCN(c3cc(Cl)nc(C)n3)C2)[nH+]1 ZINC000171069606 432099684 /nfs/dbraw/zinc/09/96/84/432099684.db2.gz GUHASOZPRQWDJC-CYBMUJFWSA-N 1 0 317.824 3.080 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C(C)C)cc2)n(C)n1 ZINC000195423542 201388219 /nfs/dbraw/zinc/38/82/19/201388219.db2.gz DNQAEENFGGGPRC-CQSZACIVSA-N 1 0 314.433 3.141 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)n(C)n1 ZINC000195423535 201388354 /nfs/dbraw/zinc/38/83/54/201388354.db2.gz DNQAEENFGGGPRC-AWEZNQCLSA-N 1 0 314.433 3.141 10 0 DGAERO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccs2)cc1F ZINC000195485491 201395971 /nfs/dbraw/zinc/39/59/71/201395971.db2.gz HUVKFWUQDWKYTA-GFCCVEGCSA-N 1 0 306.406 3.163 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000246157391 432100901 /nfs/dbraw/zinc/10/09/01/432100901.db2.gz HAAVCKUYTVYWPO-WBVHZDCISA-N 1 0 316.445 3.281 10 0 DGAERO CSc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000073050491 283766503 /nfs/dbraw/zinc/76/65/03/283766503.db2.gz TUXONPCAJLWUDD-UHFFFAOYSA-N 1 0 306.475 3.145 10 0 DGAERO Cc1[nH+]c2c(n1[C@H]1CCN(c3nc4ccccc4[nH]3)C1)CCCC2 ZINC000275523424 212392172 /nfs/dbraw/zinc/39/21/72/212392172.db2.gz YGHQNHNASXEYOJ-AWEZNQCLSA-N 1 0 321.428 3.398 10 0 DGAERO [NH3+]CCc1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)cs1 ZINC000090945683 192960877 /nfs/dbraw/zinc/96/08/77/192960877.db2.gz XZHIXEKWGCBPMU-UHFFFAOYSA-N 1 0 316.213 3.203 10 0 DGAERO COc1cc2c(cc1C[NH2+]CCc1ccsc1)O[C@@H](C)C2 ZINC000073650002 283778298 /nfs/dbraw/zinc/77/82/98/283778298.db2.gz PTDCHCYIFQONAX-LBPRGKRZSA-N 1 0 303.427 3.412 10 0 DGAERO Fc1ccc(-c2cnc(CN3CC[N@@H+]4CCCC[C@H]4C3)o2)cc1 ZINC000246178227 432104278 /nfs/dbraw/zinc/10/42/78/432104278.db2.gz KEAPDGBJRYEEHP-INIZCTEOSA-N 1 0 315.392 3.151 10 0 DGAERO c1c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)oc2ncccc12 ZINC000449204751 240066752 /nfs/dbraw/zinc/06/67/52/240066752.db2.gz JJELTSJCNFDZTO-AWEZNQCLSA-N 1 0 318.442 3.362 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000135170071 432104356 /nfs/dbraw/zinc/10/43/56/432104356.db2.gz OYXHQCRCHDFMKI-GOEBONIOSA-N 1 0 301.459 3.377 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449281094 240106294 /nfs/dbraw/zinc/10/62/94/240106294.db2.gz CDLYVLYUAQQYLM-UWJYYQICSA-N 1 0 322.452 3.146 10 0 DGAERO C[C@H](CCc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246174677 432104686 /nfs/dbraw/zinc/10/46/86/432104686.db2.gz LKFTUPHMGYCFJZ-RYRKJORJSA-N 1 0 317.477 3.132 10 0 DGAERO COCCOC1(C[NH2+][C@H](C)CCC2CCCC2)CCOCC1 ZINC000449393509 240172358 /nfs/dbraw/zinc/17/23/58/240172358.db2.gz NGDPOCJIMLWHBO-MRXNPFEDSA-N 1 0 313.482 3.147 10 0 DGAERO Fc1ccc(N2CC[NH+](Cc3cccc4ccoc43)CC2)nc1 ZINC000449326656 240132152 /nfs/dbraw/zinc/13/21/52/240132152.db2.gz XWZOZRCLXJUBSN-UHFFFAOYSA-N 1 0 311.360 3.289 10 0 DGAERO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449452276 240214292 /nfs/dbraw/zinc/21/42/92/240214292.db2.gz UANKOEMBPMLDPH-ZDUSSCGKSA-N 1 0 307.434 3.281 10 0 DGAERO CC(C)c1csc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000076052498 283830669 /nfs/dbraw/zinc/83/06/69/283830669.db2.gz UGVACIYOOZXECV-LBPRGKRZSA-N 1 0 310.467 3.262 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC000091302970 193035519 /nfs/dbraw/zinc/03/55/19/193035519.db2.gz SETAUMLKYBEKDM-LPHOPBHVSA-N 1 0 316.445 3.175 10 0 DGAERO CC[C@@H]1N(C(=O)OCc2ccccc2)CCC[C@]12CCC[NH2+]2 ZINC000091303089 193035954 /nfs/dbraw/zinc/03/59/54/193035954.db2.gz JRDBKLGLOKKWDZ-FUHWJXTLSA-N 1 0 302.418 3.320 10 0 DGAERO CCCC[C@H](CCC)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091367583 193047232 /nfs/dbraw/zinc/04/72/32/193047232.db2.gz DHZBALNTZWIYSM-HIFRSBDPSA-N 1 0 312.479 3.344 10 0 DGAERO CC(C)CC(C)(C)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091377509 193048618 /nfs/dbraw/zinc/04/86/18/193048618.db2.gz OEQRVBOIZZAQQR-ZDUSSCGKSA-N 1 0 312.479 3.057 10 0 DGAERO CCC(CC)(CC)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091377880 193049448 /nfs/dbraw/zinc/04/94/48/193049448.db2.gz ZNZLKLZTFGIWQF-CYBMUJFWSA-N 1 0 312.479 3.201 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(F)cc2Cl)CCN1C ZINC000091675615 193089277 /nfs/dbraw/zinc/08/92/77/193089277.db2.gz LELPKPBEOFWSIA-GXTWGEPZSA-N 1 0 314.832 3.272 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000282225906 299358001 /nfs/dbraw/zinc/35/80/01/299358001.db2.gz FGNVXNMLNLESDP-IGJMFERPSA-N 1 0 301.217 3.311 10 0 DGAERO COC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000189977849 432107258 /nfs/dbraw/zinc/10/72/58/432107258.db2.gz WCLMXHVIYOJSHF-NXEZZACHSA-N 1 0 302.212 3.143 10 0 DGAERO CO[C@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000091772813 193105138 /nfs/dbraw/zinc/10/51/38/193105138.db2.gz YJLOJGPMFLJAOK-AWEZNQCLSA-N 1 0 319.836 3.351 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cnc(CC(C)C)s1 ZINC000091893088 193123067 /nfs/dbraw/zinc/12/30/67/193123067.db2.gz FNWAWRAPOIGPJW-CABCVRRESA-N 1 0 307.507 3.400 10 0 DGAERO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000268596848 432107711 /nfs/dbraw/zinc/10/77/11/432107711.db2.gz TWGXRSHGFJBKQG-QGZVFWFLSA-N 1 0 324.424 3.047 10 0 DGAERO CC1(C)C[N@H+](CCc2ccc(Cl)cc2)C[C@@]2(CCOC2)O1 ZINC000450900055 240919431 /nfs/dbraw/zinc/91/94/31/240919431.db2.gz UBBFNWIWJUUOPA-QGZVFWFLSA-N 1 0 309.837 3.152 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)c2ccccc21 ZINC000079495041 283880688 /nfs/dbraw/zinc/88/06/88/283880688.db2.gz IZLJJKAPFUHDSN-CABCVRRESA-N 1 0 303.450 3.296 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000079495333 283881119 /nfs/dbraw/zinc/88/11/19/283881119.db2.gz MGLBTSVWTNWGQC-SJLPKXTDSA-N 1 0 317.477 3.292 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000079529946 283881989 /nfs/dbraw/zinc/88/19/89/283881989.db2.gz FQEFJHZZVSRFJV-UHFFFAOYSA-N 1 0 304.434 3.030 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1C ZINC000451443573 241126145 /nfs/dbraw/zinc/12/61/45/241126145.db2.gz ZOSRHZZEOPYJIG-QGZVFWFLSA-N 1 0 311.372 3.016 10 0 DGAERO C[C@@H](CNC(=O)C/C=C/c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000081595553 283921347 /nfs/dbraw/zinc/92/13/47/283921347.db2.gz SRWSWVWSOBJMKH-CWDCEQMOSA-N 1 0 318.436 3.466 10 0 DGAERO CCCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000081671275 283924855 /nfs/dbraw/zinc/92/48/55/283924855.db2.gz FTNHUONDNNMHGM-HNNXBMFYSA-N 1 0 318.461 3.385 10 0 DGAERO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc2c1OCCC2 ZINC000454949096 242071264 /nfs/dbraw/zinc/07/12/64/242071264.db2.gz CRIHUPIFCJFYNB-UHFFFAOYSA-N 1 0 319.449 3.254 10 0 DGAERO CC(C)[C@H](O)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000246243153 432112245 /nfs/dbraw/zinc/11/22/45/432112245.db2.gz IEJQSTMDRNKQNL-MAUKXSAKSA-N 1 0 318.461 3.407 10 0 DGAERO CCc1nc(C)c(NC(=O)NC(C)(C)CCC[NH+](C)C)s1 ZINC000455205214 242134605 /nfs/dbraw/zinc/13/46/05/242134605.db2.gz NMUQRTUYTIKTDB-UHFFFAOYSA-N 1 0 312.483 3.256 10 0 DGAERO CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732898 283960836 /nfs/dbraw/zinc/96/08/36/283960836.db2.gz XEVGKLFDWIPJGG-RBUKOAKNSA-N 1 0 324.472 3.365 10 0 DGAERO CCCCN(Cc1ccccc1F)C(=O)NC[C@H](C)[NH+](C)C ZINC000455428763 242198365 /nfs/dbraw/zinc/19/83/65/242198365.db2.gz HNOHMIBWUOORIG-AWEZNQCLSA-N 1 0 309.429 3.088 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C1CCCCC1 ZINC000089732474 283960722 /nfs/dbraw/zinc/96/07/22/283960722.db2.gz WPFIUSNTVQHPHA-SJORKVTESA-N 1 0 302.466 3.394 10 0 DGAERO C[C@H](CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1F ZINC000171206464 432112608 /nfs/dbraw/zinc/11/26/08/432112608.db2.gz YFQKMPBXGFDYHS-HUUCEWRRSA-N 1 0 304.409 3.016 10 0 DGAERO CCOc1ccc(Cl)c(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000456043626 242336619 /nfs/dbraw/zinc/33/66/19/242336619.db2.gz JFYMFKAQOYMEPO-UHFFFAOYSA-N 1 0 310.825 3.409 10 0 DGAERO C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000456168164 242367515 /nfs/dbraw/zinc/36/75/15/242367515.db2.gz KZLFUTDTUZDNAP-HIFRSBDPSA-N 1 0 324.415 3.305 10 0 DGAERO Cn1cc(C(=O)NC(C)(C)CCC[NH+](C)C)c2cc(F)ccc21 ZINC000456175422 242370304 /nfs/dbraw/zinc/37/03/04/242370304.db2.gz UNKDXBYBJMINIR-UHFFFAOYSA-N 1 0 319.424 3.168 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c(C)nn1C ZINC000092121214 193165559 /nfs/dbraw/zinc/16/55/59/193165559.db2.gz RDFVTCXUAFIQIN-MRXNPFEDSA-N 1 0 317.408 3.083 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000246868973 299380108 /nfs/dbraw/zinc/38/01/08/299380108.db2.gz CVOQUFDBHRUXIN-HNKHHVNMSA-N 1 0 303.402 3.066 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc3ccn(C)c32)CC[N@@H+]1C ZINC000190038429 432115699 /nfs/dbraw/zinc/11/56/99/432115699.db2.gz HWDKYMQJTLAKOK-ZFWWWQNUSA-N 1 0 314.433 3.125 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093742109 284014500 /nfs/dbraw/zinc/01/45/00/284014500.db2.gz RPXGBUBPVKYNGL-KRWDZBQOSA-N 1 0 304.478 3.476 10 0 DGAERO CC(C)(C)c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000093817812 284014523 /nfs/dbraw/zinc/01/45/23/284014523.db2.gz WUGXMWOHJFNLCP-OAHLLOKOSA-N 1 0 322.518 3.200 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000246868939 299383074 /nfs/dbraw/zinc/38/30/74/299383074.db2.gz CVOQUFDBHRUXIN-ARLBYUKCSA-N 1 0 303.402 3.066 10 0 DGAERO C[N@H+](CCc1cccc2ccccc21)C[C@H](O)COC(C)(C)C ZINC000101729167 284019595 /nfs/dbraw/zinc/01/95/95/284019595.db2.gz ZBNHOTUYCKBMHT-SFHVURJKSA-N 1 0 315.457 3.490 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000103451403 284030139 /nfs/dbraw/zinc/03/01/39/284030139.db2.gz NYSDPIRXMFJQBR-UHFFFAOYSA-N 1 0 302.462 3.118 10 0 DGAERO CC(C)COC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000092223125 193176613 /nfs/dbraw/zinc/17/66/13/193176613.db2.gz VKCGPCVFBSQKPE-UHFFFAOYSA-N 1 0 317.477 3.319 10 0 DGAERO CSc1ccccc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000092231790 193177493 /nfs/dbraw/zinc/17/74/93/193177493.db2.gz ZBHOYJVBCZURIS-DZGCQCFKSA-N 1 0 304.459 3.013 10 0 DGAERO O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCCC(F)(F)C1 ZINC000458577898 243094500 /nfs/dbraw/zinc/09/45/00/243094500.db2.gz WCILUHCZKGBOHJ-AWEZNQCLSA-N 1 0 317.424 3.130 10 0 DGAERO Cc1ccccc1CCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529636 284056090 /nfs/dbraw/zinc/05/60/90/284056090.db2.gz ROCDLPWRRVSZHQ-IBGZPJMESA-N 1 0 314.473 3.405 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000459048027 243236444 /nfs/dbraw/zinc/23/64/44/243236444.db2.gz XDKOZNONAXJGIC-YDHLFZDLSA-N 1 0 307.438 3.021 10 0 DGAERO c1n[nH]cc1CC[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000459394185 243357818 /nfs/dbraw/zinc/35/78/18/243357818.db2.gz ZJWDYWHXQJYADT-HXUWFJFHSA-N 1 0 321.424 3.500 10 0 DGAERO O=C(NCC1CC1)[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459297476 243322246 /nfs/dbraw/zinc/32/22/46/243322246.db2.gz JGTZCAYMSXEKQA-FHWLQOOXSA-N 1 0 312.457 3.028 10 0 DGAERO CCn1nncc1C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000459348400 243344639 /nfs/dbraw/zinc/34/46/39/243344639.db2.gz HIUYCWFQELUZBG-UHFFFAOYSA-N 1 0 323.238 3.085 10 0 DGAERO C[C@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H](C)C1 ZINC000246316124 432117945 /nfs/dbraw/zinc/11/79/45/432117945.db2.gz RFXKRYQRXCBKRK-VIIHDXQUSA-N 1 0 309.498 3.231 10 0 DGAERO CN(C)C(=O)CC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459464446 243380404 /nfs/dbraw/zinc/38/04/04/243380404.db2.gz NDKBQJIVOJJDKP-UHFFFAOYSA-N 1 0 300.446 3.254 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459490970 243388255 /nfs/dbraw/zinc/38/82/55/243388255.db2.gz CMIIWXVINPUYJS-CHWSQXEVSA-N 1 0 305.447 3.239 10 0 DGAERO CCn1nncc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000459428897 243367184 /nfs/dbraw/zinc/36/71/84/243367184.db2.gz OUFHDEHCCTZADQ-IPMKNSEASA-N 1 0 310.445 3.456 10 0 DGAERO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(n2ccnc2)CC1 ZINC000109796513 284070100 /nfs/dbraw/zinc/07/01/00/284070100.db2.gz DQWKIRWURLLHHB-CQSZACIVSA-N 1 0 323.400 3.331 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccccn2)CCCC1 ZINC000111389085 284078309 /nfs/dbraw/zinc/07/83/09/284078309.db2.gz GKGTZKBXMTUKNO-UHFFFAOYSA-N 1 0 305.422 3.009 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000248894093 299391637 /nfs/dbraw/zinc/39/16/37/299391637.db2.gz SXRIJRJXKJHKJJ-WBHUJUFNSA-N 1 0 306.425 3.500 10 0 DGAERO CCOc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1C ZINC000113152598 284100221 /nfs/dbraw/zinc/10/02/21/284100221.db2.gz RYBCEZAAOWUDJE-UHFFFAOYSA-N 1 0 318.461 3.386 10 0 DGAERO CC(C)C[C@@H](CNC(=O)Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC000468244978 244032234 /nfs/dbraw/zinc/03/22/34/244032234.db2.gz FJFHBPICPGOPMG-ZDUSSCGKSA-N 1 0 314.832 3.114 10 0 DGAERO C[C@H](NC(=O)Cc1ccc(Cl)c(F)c1)C(C)(C)C[NH+](C)C ZINC000468361111 244036225 /nfs/dbraw/zinc/03/62/25/244036225.db2.gz IRHUJIVLJAITPB-NSHDSACASA-N 1 0 314.832 3.114 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)CCc2ccccc2F)n1 ZINC000468511612 244047438 /nfs/dbraw/zinc/04/74/38/244047438.db2.gz SWWVFSZCFHWODT-CQSZACIVSA-N 1 0 302.393 3.383 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)CCc2ccc(F)cc2)n1 ZINC000468509645 244047522 /nfs/dbraw/zinc/04/75/22/244047522.db2.gz HHYTVZRXAOOYIA-AWEZNQCLSA-N 1 0 302.393 3.383 10 0 DGAERO O[C@@H](C[N@@H+]1CCCC[C@H]1Cc1ccccc1)CC(F)(F)F ZINC000469579196 244113923 /nfs/dbraw/zinc/11/39/23/244113923.db2.gz TYKHIDPIDYTWGP-LSDHHAIUSA-N 1 0 301.352 3.397 10 0 DGAERO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000470942632 244197724 /nfs/dbraw/zinc/19/77/24/244197724.db2.gz CUFDQGLOPSAHNQ-ZWNOBZJWSA-N 1 0 301.308 3.246 10 0 DGAERO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)NCC1CCCCC1 ZINC000470957001 244200096 /nfs/dbraw/zinc/20/00/96/244200096.db2.gz VDXMGKCYVAKKIO-JSGCOSHPSA-N 1 0 320.399 3.346 10 0 DGAERO CO[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000471821724 244255560 /nfs/dbraw/zinc/25/55/60/244255560.db2.gz SPRHJJPDQKVWDV-WBVHZDCISA-N 1 0 319.836 3.491 10 0 DGAERO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC1(C)C ZINC000471589921 244220247 /nfs/dbraw/zinc/22/02/47/244220247.db2.gz IRYHCHIOMBGTJX-CZUORRHYSA-N 1 0 314.429 3.230 10 0 DGAERO CC(C)[C@@H](C)N(C(=O)NC1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000119019475 284132358 /nfs/dbraw/zinc/13/23/58/284132358.db2.gz HVYFEMVDZFSIAD-QQFBHYJXSA-N 1 0 309.498 3.325 10 0 DGAERO COc1ccc(Br)c(C[N@H+](C[C@H](C)O)C(C)C)c1 ZINC000093144229 193207961 /nfs/dbraw/zinc/20/79/61/193207961.db2.gz WREKCDPMUKWTOA-NSHDSACASA-N 1 0 316.239 3.049 10 0 DGAERO CC(C)(C)NC(=O)C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119021963 284132679 /nfs/dbraw/zinc/13/26/79/284132679.db2.gz YUTUDWROYBJRHC-IRXDYDNUSA-N 1 0 302.462 3.292 10 0 DGAERO CC(C)(C)C[N@H+](CCCO)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093146481 193208758 /nfs/dbraw/zinc/20/87/58/193208758.db2.gz XXSXZUKXZPOUKY-UHFFFAOYSA-N 1 0 301.434 3.307 10 0 DGAERO CC(C)c1cccc(NC(=O)C[NH2+]C2(CCO)CCCCC2)c1 ZINC000474262087 244382085 /nfs/dbraw/zinc/38/20/85/244382085.db2.gz DFWOMNJGPFTCLR-UHFFFAOYSA-N 1 0 318.461 3.423 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000474333590 244389960 /nfs/dbraw/zinc/38/99/60/244389960.db2.gz UQQMCRAXBQSADR-CEXWTWQISA-N 1 0 314.473 3.388 10 0 DGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C/C=C/c2cccc(F)c2)C1 ZINC000119527409 284144902 /nfs/dbraw/zinc/14/49/02/284144902.db2.gz PRXWIVLKTGQTBE-YXMMZVCTSA-N 1 0 318.436 3.323 10 0 DGAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181273475 432120407 /nfs/dbraw/zinc/12/04/07/432120407.db2.gz AZZBZUANXQQSQP-CABCVRRESA-N 1 0 311.429 3.314 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)o1 ZINC000262473279 203304112 /nfs/dbraw/zinc/30/41/12/203304112.db2.gz XBRFPFPGMGCBQU-FHIRATQRSA-N 1 0 316.445 3.282 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CSCc2ccccc2)C1 ZINC000246324958 432120534 /nfs/dbraw/zinc/12/05/34/432120534.db2.gz CLYVVESJMHAGNC-WBVHZDCISA-N 1 0 320.502 3.156 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000093272765 193222550 /nfs/dbraw/zinc/22/25/50/193222550.db2.gz ZGMQPHHUATYKLO-UHFFFAOYSA-N 1 0 321.428 3.059 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000120310530 284165641 /nfs/dbraw/zinc/16/56/41/284165641.db2.gz FKORLIUCKXMUPY-RHSMWYFYSA-N 1 0 321.440 3.006 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2c(F)cccc2N2CCCC2)CC[N@@H+]1C ZINC000093645013 193279914 /nfs/dbraw/zinc/27/99/14/193279914.db2.gz KVFGPPBWRWHDSS-HZPDHXFCSA-N 1 0 319.468 3.340 10 0 DGAERO COc1c(C[N@H+](C)[C@H](C)Cc2ccc(Cl)cc2)c(C)nn1C ZINC000093531936 193264858 /nfs/dbraw/zinc/26/48/58/193264858.db2.gz QOOBVDYALQCQCU-GFCCVEGCSA-N 1 0 321.852 3.454 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1c(Cl)nc3ccccn31)CC2 ZINC000093585159 193270420 /nfs/dbraw/zinc/27/04/20/193270420.db2.gz UAJYJRUQFPQHAF-CXAGYDPISA-N 1 0 319.836 3.115 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093753244 193299384 /nfs/dbraw/zinc/29/93/84/193299384.db2.gz DBOQTMYVLPTZSP-MRXNPFEDSA-N 1 0 312.461 3.240 10 0 DGAERO COc1cc(N[C@@H]2CCC[N@H+](Cc3cc[nH]c3)C2)cc(OC)c1 ZINC000093763993 193301752 /nfs/dbraw/zinc/30/17/52/193301752.db2.gz APTNEVKCVMKPIG-OAHLLOKOSA-N 1 0 315.417 3.108 10 0 DGAERO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000093643864 193281477 /nfs/dbraw/zinc/28/14/77/193281477.db2.gz IXCKAJKJUPDDBP-RDJZCZTQSA-N 1 0 320.477 3.397 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000093643794 193281717 /nfs/dbraw/zinc/28/17/17/193281717.db2.gz GZFRBYJSOOXAEN-WCQYABFASA-N 1 0 316.367 3.342 10 0 DGAERO Cn1nc(-c2ccccc2)c(C[N@H+](C)C[C@H]2CCOC2)c1Cl ZINC000093840324 193315461 /nfs/dbraw/zinc/31/54/61/193315461.db2.gz VKHLDRMRNAITIF-CYBMUJFWSA-N 1 0 319.836 3.209 10 0 DGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000093939064 193330214 /nfs/dbraw/zinc/33/02/14/193330214.db2.gz BDZCKGUALCPFMT-AWEZNQCLSA-N 1 0 316.214 3.325 10 0 DGAERO CCN(C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000466077660 284177548 /nfs/dbraw/zinc/17/75/48/284177548.db2.gz LXUUQCJTQCHRMT-CZUORRHYSA-N 1 0 321.490 3.325 10 0 DGAERO CCCC1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246348283 432121487 /nfs/dbraw/zinc/12/14/87/432121487.db2.gz PEQCHUGCXFDGFO-OTBWCIGPSA-N 1 0 309.498 3.469 10 0 DGAERO CC[C@@H](CC(F)(F)F)[NH2+]Cc1c(Br)cnn1C ZINC000487549118 245074217 /nfs/dbraw/zinc/07/42/17/245074217.db2.gz MWNAUIFTYYHOTI-ZETCQYMHSA-N 1 0 314.149 3.003 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000122867781 284227290 /nfs/dbraw/zinc/22/72/90/284227290.db2.gz DWJWIAVNUUWQHK-OAHLLOKOSA-N 1 0 313.401 3.011 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(C)(C)c1ccccc1 ZINC000089732373 296162578 /nfs/dbraw/zinc/16/25/78/296162578.db2.gz IIOLACKZMCHQJP-AEFFLSMTSA-N 1 0 324.472 3.401 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000123293933 284235648 /nfs/dbraw/zinc/23/56/48/284235648.db2.gz MOOANJVHFKCYMD-NWDGAFQWSA-N 1 0 317.260 3.365 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C2)c1 ZINC000246358550 432123023 /nfs/dbraw/zinc/12/30/23/432123023.db2.gz PUOSASQAFBGIHZ-SJORKVTESA-N 1 0 300.446 3.467 10 0 DGAERO COc1ccccc1-c1nc(C[N@@H+]2CC[C@H](CO)[C@H]2C)cs1 ZINC000488733329 245224636 /nfs/dbraw/zinc/22/46/36/245224636.db2.gz OVSPBXCFBLRZLQ-CHWSQXEVSA-N 1 0 318.442 3.021 10 0 DGAERO CCCOc1ccc(OCC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000123706068 284243986 /nfs/dbraw/zinc/24/39/86/284243986.db2.gz VQAJIJPSXINJIZ-SJORKVTESA-N 1 0 320.477 3.269 10 0 DGAERO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H](CO)[C@@H]3C)n2)cc1 ZINC000488791237 245234082 /nfs/dbraw/zinc/23/40/82/245234082.db2.gz YBORUIZNPOODHE-BBRMVZONSA-N 1 0 315.417 3.063 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CCCS2)C1 ZINC000123960566 284250031 /nfs/dbraw/zinc/25/00/31/284250031.db2.gz YGDPFERUMYWPLO-ZIAGYGMSSA-N 1 0 314.495 3.119 10 0 DGAERO CC[N@H+](CC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1)C1CC1 ZINC000246358689 432123611 /nfs/dbraw/zinc/12/36/11/432123611.db2.gz XAQXGIBYXQEQDS-GUYCJALGSA-N 1 0 304.409 3.220 10 0 DGAERO Cc1[nH]ccc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246366134 432123755 /nfs/dbraw/zinc/12/37/55/432123755.db2.gz NLUOFYKFNZKPOQ-ZBFHGGJFSA-N 1 0 303.450 3.050 10 0 DGAERO Clc1cc2cccnc2c(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246367547 432124119 /nfs/dbraw/zinc/12/41/19/432124119.db2.gz NSZMCHRBGRUCRP-INIZCTEOSA-N 1 0 301.821 3.168 10 0 DGAERO CCc1cc(C)c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000125088528 284269414 /nfs/dbraw/zinc/26/94/14/284269414.db2.gz OUYPUHAYTINOGX-HNNXBMFYSA-N 1 0 304.434 3.241 10 0 DGAERO C[C@@H]1CCC[C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125258536 284272201 /nfs/dbraw/zinc/27/22/01/284272201.db2.gz LDQHIJIDAWAEGK-KZYLPZIUSA-N 1 0 309.498 3.232 10 0 DGAERO C[C@@H]1CCC[C@H](C)N(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125442706 284276177 /nfs/dbraw/zinc/27/61/77/284276177.db2.gz OKEICXNQWHRGNZ-XNIRIUNOSA-N 1 0 309.498 3.327 10 0 DGAERO CCCCc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000125491961 284277164 /nfs/dbraw/zinc/27/71/64/284277164.db2.gz ZRWLADUMWHBEPE-VQIMIIECSA-N 1 0 305.462 3.469 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]2C2CCCC2)CC1 ZINC000125386328 284274710 /nfs/dbraw/zinc/27/47/10/284274710.db2.gz VWOFVJIOEJDRRK-VJFUWPCTSA-N 1 0 321.509 3.471 10 0 DGAERO CC[C@@H]([NH2+]CCCn1ccnn1)c1ccc(Br)cc1 ZINC000125615721 284279673 /nfs/dbraw/zinc/27/96/73/284279673.db2.gz ZOWRIOGPTFUKQI-CQSZACIVSA-N 1 0 323.238 3.172 10 0 DGAERO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nsc(N(C)C)n1 ZINC000126171320 284296423 /nfs/dbraw/zinc/29/64/23/284296423.db2.gz YIJJQRLLLXUVNO-DGCLKSJQSA-N 1 0 320.437 3.121 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccsc2Br)[C@H]2CCO[C@H]21 ZINC000282489823 217034614 /nfs/dbraw/zinc/03/46/14/217034614.db2.gz QZBGYXOAERMGAQ-GMTAPVOTSA-N 1 0 316.264 3.414 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cc(C)oc2C)[C@@H](C)C1 ZINC000246389725 432125247 /nfs/dbraw/zinc/12/52/47/432125247.db2.gz IYPDHMVJJFYZEN-JDFRZJQESA-N 1 0 321.465 3.329 10 0 DGAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000282518595 217057550 /nfs/dbraw/zinc/05/75/50/217057550.db2.gz ZNYOLIRYJDYTBU-ZWKOPEQDSA-N 1 0 310.850 3.134 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCSc1ccccc1Cl ZINC000126562851 284309341 /nfs/dbraw/zinc/30/93/41/284309341.db2.gz MTMVBKBPEHROKJ-LBPRGKRZSA-N 1 0 312.866 3.033 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246397758 432126487 /nfs/dbraw/zinc/12/64/87/432126487.db2.gz BHSPHESUPVDFGQ-DOTOQJQBSA-N 1 0 301.386 3.376 10 0 DGAERO CCc1cc(C)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000127069628 284326432 /nfs/dbraw/zinc/32/64/32/284326432.db2.gz PPKGNDRTEPWALH-HNNXBMFYSA-N 1 0 304.434 3.241 10 0 DGAERO CCCC[C@@H](COC)[NH2+]Cc1ccccc1-n1ccc(C)n1 ZINC000127594443 284345092 /nfs/dbraw/zinc/34/50/92/284345092.db2.gz YHOZDOLFCJEMRX-KRWDZBQOSA-N 1 0 301.434 3.476 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@]3(CC=CCC3)C2)C[N@@H+]1C1CC1 ZINC000127687563 284348804 /nfs/dbraw/zinc/34/88/04/284348804.db2.gz IFBMQYALFPWZMU-GJYPPUQNSA-N 1 0 317.477 3.144 10 0 DGAERO Cc1ccc(-c2ccc(CN3CCO[C@H](C[NH+](C)C)C3)o2)cc1 ZINC000128078320 284362719 /nfs/dbraw/zinc/36/27/19/284362719.db2.gz MPFVSZURQJQARS-GOSISDBHSA-N 1 0 314.429 3.017 10 0 DGAERO Cn1c(CN(CCC(F)(F)F)CC2CC2)nnc1C1CCC1 ZINC000181419938 432128721 /nfs/dbraw/zinc/12/87/21/432128721.db2.gz MFBTZGJNBJEJMJ-UHFFFAOYSA-N 1 0 316.371 3.247 10 0 DGAERO CC[C@H](COC)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246412374 432128862 /nfs/dbraw/zinc/12/88/62/432128862.db2.gz MNEDVGRQHSYCKH-WQVCFCJDSA-N 1 0 314.832 3.239 10 0 DGAERO C[NH+](C)C[C@H]1CN(Cc2sc3ccccc3c2Cl)CCO1 ZINC000128215925 284367889 /nfs/dbraw/zinc/36/78/89/284367889.db2.gz NXBIPPDYMFDILZ-LBPRGKRZSA-N 1 0 324.877 3.317 10 0 DGAERO Cc1nsc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000266428662 205339945 /nfs/dbraw/zinc/33/99/45/205339945.db2.gz UANNBYDDUYIVQU-MQVJKMGUSA-N 1 0 314.458 3.454 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000246433268 432130250 /nfs/dbraw/zinc/13/02/50/432130250.db2.gz MWCMQGOTTIMVAV-JZXOWHBKSA-N 1 0 317.477 3.428 10 0 DGAERO O=c1cc([C@@H]2CCCC[N@@H+]2C2CCCC2)nc(-c2cccnc2)[nH]1 ZINC000019340863 182116742 /nfs/dbraw/zinc/11/67/42/182116742.db2.gz PGOMRJVITDRYGY-KRWDZBQOSA-N 1 0 324.428 3.302 10 0 DGAERO NC(=[NH2+])c1ccccc1OCc1ccc(Br)s1 ZINC000019440193 182123031 /nfs/dbraw/zinc/12/30/31/182123031.db2.gz CBMKIMZAFXOSQT-UHFFFAOYSA-N 1 0 311.204 3.374 10 0 DGAERO NC(=[NH2+])c1ccccc1COc1ccc(Br)cc1 ZINC000019518310 182127621 /nfs/dbraw/zinc/12/76/21/182127621.db2.gz QKGIZTDTYZBKHB-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000246435597 432130721 /nfs/dbraw/zinc/13/07/21/432130721.db2.gz TXNWOXUQXUVLDS-INMHGKMJSA-N 1 0 303.450 3.119 10 0 DGAERO C[C@@H](CC[NH2+]Cc1ccc(Cl)c2cccnc12)[S@](C)=O ZINC000129327276 284405801 /nfs/dbraw/zinc/40/58/01/284405801.db2.gz KUPMNVHLNQOKKC-PRWKNARSSA-N 1 0 310.850 3.135 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000129404508 284408257 /nfs/dbraw/zinc/40/82/57/284408257.db2.gz WNXXZMLPOGTDCG-UHFFFAOYSA-N 1 0 318.436 3.094 10 0 DGAERO CC(C)[N@H+](C)[C@](C)(CN)CCc1ccc(OC(F)F)cc1 ZINC000019807758 182152887 /nfs/dbraw/zinc/15/28/87/182152887.db2.gz IKILTHHYHCAHDL-INIZCTEOSA-N 1 0 300.393 3.278 10 0 DGAERO CCC[C@H](C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000019902541 182162163 /nfs/dbraw/zinc/16/21/63/182162163.db2.gz NTXOCEYHNSNRNS-VIFPVBQESA-N 1 0 302.212 3.442 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246443925 432131778 /nfs/dbraw/zinc/13/17/78/432131778.db2.gz ODTJLBSVVHLNKH-IUODEOHRSA-N 1 0 323.412 3.075 10 0 DGAERO [NH3+][C@H](c1ccc2c(c1)CCO2)c1ccccc1Br ZINC000019971004 182171456 /nfs/dbraw/zinc/17/14/56/182171456.db2.gz INWMDGMJJHEWEG-OAHLLOKOSA-N 1 0 304.187 3.432 10 0 DGAERO [NH3+][C@@H](c1ccc2c(c1)CCO2)c1ccccc1Br ZINC000019971003 182171554 /nfs/dbraw/zinc/17/15/54/182171554.db2.gz INWMDGMJJHEWEG-HNNXBMFYSA-N 1 0 304.187 3.432 10 0 DGAERO Cc1cc(Br)cc(C)c1NC(=O)[C@@H]([NH3+])CC(C)C ZINC000020033000 182182234 /nfs/dbraw/zinc/18/22/34/182182234.db2.gz GPWKVLSDKWHTDE-LBPRGKRZSA-N 1 0 313.239 3.378 10 0 DGAERO COc1ccccc1[C@@H](C[NH3+])N(C)Cc1cccc(Cl)c1 ZINC000020225762 182198736 /nfs/dbraw/zinc/19/87/36/182198736.db2.gz LFSOTAZTAXMWND-MRXNPFEDSA-N 1 0 304.821 3.480 10 0 DGAERO CC(C)[C@H](C)C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000129990960 284428934 /nfs/dbraw/zinc/42/89/34/284428934.db2.gz SXDDBXHJJOXAAH-LLVKDONJSA-N 1 0 303.855 3.125 10 0 DGAERO Cc1cnc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000246444148 432132806 /nfs/dbraw/zinc/13/28/06/432132806.db2.gz DJTQVSBSGZURPO-HZPDHXFCSA-N 1 0 304.365 3.210 10 0 DGAERO CCCOc1ccc(C[NH2+]C(C)(C)CO)cc1Br ZINC000020925837 182254405 /nfs/dbraw/zinc/25/44/05/182254405.db2.gz VKQJAJLDEMRXLZ-UHFFFAOYSA-N 1 0 316.239 3.098 10 0 DGAERO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)c1ccco1 ZINC000246465343 432133456 /nfs/dbraw/zinc/13/34/56/432133456.db2.gz QCHMGJLEWDFANI-QLFBSQMISA-N 1 0 320.458 3.454 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000246470268 432133559 /nfs/dbraw/zinc/13/35/59/432133559.db2.gz PXCUMIGTDZKSLT-BQJWPVKWSA-N 1 0 309.498 3.183 10 0 DGAERO CSCCCC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000134668810 284448481 /nfs/dbraw/zinc/44/84/81/284448481.db2.gz HJQKVECBNRCYDF-ZIAGYGMSSA-N 1 0 300.512 3.002 10 0 DGAERO Clc1cc(C[NH2+][C@@H]2CCCSC2)cc2c1OCCCO2 ZINC000135698914 432133971 /nfs/dbraw/zinc/13/39/71/432133971.db2.gz FVPQZDJFOKKFRU-GFCCVEGCSA-N 1 0 313.850 3.487 10 0 DGAERO C[C@@H]1CN([C@@H](C[NH3+])c2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000021812367 182292329 /nfs/dbraw/zinc/29/23/29/182292329.db2.gz XSMUCVZXXMUEQO-CWSCBRNRSA-N 1 0 303.233 3.102 10 0 DGAERO Cc1cc(N)nc(SCC(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000022089077 182308193 /nfs/dbraw/zinc/30/81/93/182308193.db2.gz FARSZRKTOPVASK-UHFFFAOYSA-N 1 0 316.430 3.221 10 0 DGAERO COc1c(C)ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000246471805 432134336 /nfs/dbraw/zinc/13/43/36/432134336.db2.gz OMEBMYVZQASGFY-HIFRSBDPSA-N 1 0 317.433 3.012 10 0 DGAERO [NH3+]C[C@H](c1ccc(F)c(Br)c1)N1CCCCCC1 ZINC000022176205 182312090 /nfs/dbraw/zinc/31/20/90/182312090.db2.gz JTINSDOKFVLAKN-CQSZACIVSA-N 1 0 315.230 3.464 10 0 DGAERO CC1CCN([C@@H](C[NH3+])c2cc(Br)ccc2F)CC1 ZINC000022166003 182312173 /nfs/dbraw/zinc/31/21/73/182312173.db2.gz QBKUWAMPAHIIHA-AWEZNQCLSA-N 1 0 315.230 3.320 10 0 DGAERO CSc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246457802 432134680 /nfs/dbraw/zinc/13/46/80/432134680.db2.gz PCWSKSCMXWAPLW-SWLSCSKDSA-N 1 0 307.463 3.259 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2[C@H](C)CCC[C@H]2C)[C@H](C)C1 ZINC000246470283 432135103 /nfs/dbraw/zinc/13/51/03/432135103.db2.gz PXCUMIGTDZKSLT-FPCVCCKLSA-N 1 0 309.498 3.183 10 0 DGAERO CC(C)c1ccc(/C=C/CC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000495389559 246263493 /nfs/dbraw/zinc/26/34/93/246263493.db2.gz NPUARBDAZXGPCU-AATRIKPKSA-N 1 0 300.446 3.424 10 0 DGAERO CSC(C)(C)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000135384472 284473759 /nfs/dbraw/zinc/47/37/59/284473759.db2.gz IUYIJARPZFGLMW-CYBMUJFWSA-N 1 0 316.511 3.365 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000136202118 284496555 /nfs/dbraw/zinc/49/65/55/284496555.db2.gz YQNRJWDRAFEBEQ-SFHVURJKSA-N 1 0 301.434 3.354 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCc2n[nH]cc21 ZINC000135866575 432137081 /nfs/dbraw/zinc/13/70/81/432137081.db2.gz HRWLJXYNCZYPOP-MRXNPFEDSA-N 1 0 324.428 3.064 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCc2n[nH]cc21 ZINC000135866619 432137782 /nfs/dbraw/zinc/13/77/82/432137782.db2.gz HRWLJXYNCZYPOP-INIZCTEOSA-N 1 0 324.428 3.064 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(Cc2ccccc2)CCC1 ZINC000246524285 432140701 /nfs/dbraw/zinc/14/07/01/432140701.db2.gz KSXGMMZGVODEFX-AEFFLSMTSA-N 1 0 312.457 3.095 10 0 DGAERO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000181658910 432141072 /nfs/dbraw/zinc/14/10/72/432141072.db2.gz HMCBVIDLXUIMDS-GOEBONIOSA-N 1 0 315.461 3.081 10 0 DGAERO CSc1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000246539533 432141818 /nfs/dbraw/zinc/14/18/18/432141818.db2.gz VKADZFSSNWXAQY-SWLSCSKDSA-N 1 0 307.463 3.259 10 0 DGAERO c1[nH]nc2cc(C[NH2+]CCNc3ccc4ccccc4n3)ccc12 ZINC000151141760 284550632 /nfs/dbraw/zinc/55/06/32/284550632.db2.gz UUNPBMMKXVKGLC-UHFFFAOYSA-N 1 0 317.396 3.313 10 0 DGAERO CCOc1cc(Cl)c([C@@H](O)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000036926316 182852874 /nfs/dbraw/zinc/85/28/74/182852874.db2.gz YGSLOCAMTIYYII-BZNIZROVSA-N 1 0 313.825 3.170 10 0 DGAERO COc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(C)c1 ZINC000171547466 432144351 /nfs/dbraw/zinc/14/43/51/432144351.db2.gz VGWVBIQLQSKFDV-HNNXBMFYSA-N 1 0 317.433 3.096 10 0 DGAERO C[C@@H](c1cccc(F)c1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000171552886 432144256 /nfs/dbraw/zinc/14/42/56/432144256.db2.gz UBCPKJLDFXXGAQ-ZDUSSCGKSA-N 1 0 300.381 3.253 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246550951 432144454 /nfs/dbraw/zinc/14/44/54/432144454.db2.gz YQMDEYZIPMNHJL-YQQAZPJKSA-N 1 0 303.450 3.180 10 0 DGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000151877635 284586340 /nfs/dbraw/zinc/58/63/40/284586340.db2.gz BVXWVLCHZDHOTP-CHWSQXEVSA-N 1 0 312.404 3.305 10 0 DGAERO CC(C)(C)c1nc(CN2CCC[C@@H]2Cn2ccnc2)cs1 ZINC000136081341 432145944 /nfs/dbraw/zinc/14/59/44/432145944.db2.gz OHIHWANQUSNNTD-CQSZACIVSA-N 1 0 304.463 3.302 10 0 DGAERO CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000246578959 432145680 /nfs/dbraw/zinc/14/56/80/432145680.db2.gz TVIUBXKHMVCGEM-FUHWJXTLSA-N 1 0 317.477 3.479 10 0 DGAERO CCN(Cc1ccc(Cl)s1)C(=O)C1CCC([NH3+])CC1 ZINC000037800031 182927369 /nfs/dbraw/zinc/92/73/69/182927369.db2.gz IBOPGVYGBJVPEO-UHFFFAOYSA-N 1 0 300.855 3.268 10 0 DGAERO CC[C@@H](C)NC(=O)CC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000038014051 182964393 /nfs/dbraw/zinc/96/43/93/182964393.db2.gz GPHOBQIRNQBFDH-XEBKBJJBSA-N 1 0 308.853 3.480 10 0 DGAERO C[C@@]([NH3+])(c1nc(-c2ccc(Br)s2)c[nH]1)C1CC1 ZINC000038002417 182959104 /nfs/dbraw/zinc/95/91/04/182959104.db2.gz HTOBTJOMHXLJEU-LBPRGKRZSA-N 1 0 312.236 3.485 10 0 DGAERO COc1ccc([C@H]([NH3+])Cc2ccccn2)cc1Br ZINC000038074195 182985387 /nfs/dbraw/zinc/98/53/87/182985387.db2.gz CFPFYMIDPQGTKK-CYBMUJFWSA-N 1 0 307.191 3.095 10 0 DGAERO CCOCCCn1c(C[NH2+]C)nc2cc(C(F)(F)F)ccc21 ZINC000040403444 183061645 /nfs/dbraw/zinc/06/16/45/183061645.db2.gz VYEUNRMOAGJICK-UHFFFAOYSA-N 1 0 315.339 3.201 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000040502388 183084767 /nfs/dbraw/zinc/08/47/67/183084767.db2.gz TVOWIKIUPUPOGY-SNVBAGLBSA-N 1 0 303.269 3.085 10 0 DGAERO CC[C@@H]1[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@@H+]3C)CC(=O)[C@H]1C ZINC000040670325 183115358 /nfs/dbraw/zinc/11/53/58/183115358.db2.gz XTVOFHNAOOSFDE-HMLLOCTESA-N 1 0 313.441 3.142 10 0 DGAERO C[C@]1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCCO1 ZINC000152935620 284648894 /nfs/dbraw/zinc/64/88/94/284648894.db2.gz NQSFRMKPQVSVMP-CQSZACIVSA-N 1 0 303.324 3.286 10 0 DGAERO COc1cc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)ccc1F ZINC000152897391 284646718 /nfs/dbraw/zinc/64/67/18/284646718.db2.gz BAEPWNSNELIQLX-GFCCVEGCSA-N 1 0 303.381 3.146 10 0 DGAERO c1cnn(CC2CC[NH+](Cc3nc4ccccc4s3)CC2)c1 ZINC000171604808 432149596 /nfs/dbraw/zinc/14/95/96/432149596.db2.gz JYSPKDPTGCZUSC-UHFFFAOYSA-N 1 0 312.442 3.405 10 0 DGAERO COc1ccc([C@@H](O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000041148455 183177075 /nfs/dbraw/zinc/17/70/75/183177075.db2.gz FZVNJVZIOFLYCL-VBQJREDUSA-N 1 0 307.434 3.105 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(Br)cc1 ZINC000042213547 183243891 /nfs/dbraw/zinc/24/38/91/183243891.db2.gz BOPREVJZJXKXRV-SNVBAGLBSA-N 1 0 313.239 3.014 10 0 DGAERO Cc1cc(CC[NH2+]Cc2nc3ccccc3n2C)cc(C)c1O ZINC000190391065 432149952 /nfs/dbraw/zinc/14/99/52/432149952.db2.gz RWFXUGRAXJMGLW-UHFFFAOYSA-N 1 0 309.413 3.228 10 0 DGAERO CC[N@H+](Cc1ccc(Br)cc1F)[C@H](C)COC ZINC000042252294 183247390 /nfs/dbraw/zinc/24/73/90/183247390.db2.gz OBSPEOWFICIRNY-SNVBAGLBSA-N 1 0 304.203 3.445 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1Cc1cc(Br)ccc1F ZINC000042407708 183265057 /nfs/dbraw/zinc/26/50/57/183265057.db2.gz MLWHVXZSPSLGNT-CYBMUJFWSA-N 1 0 315.230 3.162 10 0 DGAERO COc1ccc(Cl)cc1C[N@H+](CCC(N)=S)C(C)C ZINC000042529136 183280915 /nfs/dbraw/zinc/28/09/15/183280915.db2.gz DDTYNNWDZATIIG-UHFFFAOYSA-N 1 0 300.855 3.235 10 0 DGAERO CN(Cc1csc(Br)c1)c1cc(C[NH3+])ccn1 ZINC000042360026 183258077 /nfs/dbraw/zinc/25/80/77/183258077.db2.gz HPGXTWVMHWUCEN-UHFFFAOYSA-N 1 0 312.236 3.001 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)ccc1F ZINC000153418565 284670793 /nfs/dbraw/zinc/67/07/93/284670793.db2.gz CTZMJQXWWRMXLV-AWEZNQCLSA-N 1 0 322.424 3.278 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cc(C)cn1 ZINC000042956032 183322838 /nfs/dbraw/zinc/32/28/38/183322838.db2.gz GTQUKZBYBGOHEY-KBPBESRZSA-N 1 0 308.223 3.281 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)n1ccnc1C ZINC000043022066 183329604 /nfs/dbraw/zinc/32/96/04/183329604.db2.gz KDQJLYSNYXAIEW-KBPBESRZSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)n1cc(Cl)cn1 ZINC000043022174 183330043 /nfs/dbraw/zinc/33/00/43/183330043.db2.gz GVCOEYIRMVYLGY-PRHODGIISA-N 1 0 314.614 3.236 10 0 DGAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)n1cc(Cl)cn1 ZINC000043022173 183330079 /nfs/dbraw/zinc/33/00/79/183330079.db2.gz GVCOEYIRMVYLGY-QPUJVOFHSA-N 1 0 314.614 3.236 10 0 DGAERO CC(C)OCCO[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043023043 183330324 /nfs/dbraw/zinc/33/03/24/183330324.db2.gz CYGLEOBFWBNWOB-BXUZGUMPSA-N 1 0 316.239 3.279 10 0 DGAERO C[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000043022943 183330353 /nfs/dbraw/zinc/33/03/53/183330353.db2.gz RIXNVEHXRSYXMZ-DDTOSNHZSA-N 1 0 314.223 3.033 10 0 DGAERO [NH3+]C[C@H](Oc1ccc(CO)cc1)c1cccc(Br)c1 ZINC000043023967 183331077 /nfs/dbraw/zinc/33/10/77/183331077.db2.gz PPXYEUZZFHKSKK-HNNXBMFYSA-N 1 0 322.202 3.020 10 0 DGAERO CC(C)OCCO[C@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043094729 183337313 /nfs/dbraw/zinc/33/73/13/183337313.db2.gz MEVKCHIEWLJYSJ-FZMZJTMJSA-N 1 0 316.239 3.279 10 0 DGAERO CCCCOCCO[C@@H](C[NH3+])c1ccccc1Br ZINC000043095029 183337707 /nfs/dbraw/zinc/33/77/07/183337707.db2.gz DUWGWKCIVXJKGZ-AWEZNQCLSA-N 1 0 316.239 3.282 10 0 DGAERO C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCCCC1 ZINC000043284492 183350725 /nfs/dbraw/zinc/35/07/25/183350725.db2.gz CONTWDQFPCDJSD-CABZTGNLSA-N 1 0 303.269 3.385 10 0 DGAERO CC(C)[N@H+](CCC(N)=S)Cc1sccc1Br ZINC000043675556 183378998 /nfs/dbraw/zinc/37/89/98/183378998.db2.gz GXYGXCMWOHDLNE-UHFFFAOYSA-N 1 0 321.309 3.397 10 0 DGAERO CCC(CC)[N@H+](CCO)Cc1cc(Br)cs1 ZINC000043687284 183380659 /nfs/dbraw/zinc/38/06/59/183380659.db2.gz NHHHHDVSLBYUBS-UHFFFAOYSA-N 1 0 306.269 3.494 10 0 DGAERO c1cnn(CCCCC[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000104681003 194026534 /nfs/dbraw/zinc/02/65/34/194026534.db2.gz SKPPFXWUSNNBGZ-OAHLLOKOSA-N 1 0 304.463 3.390 10 0 DGAERO CC[NH+](CC)[C@H](C(=O)N[C@H]1COc2ccccc21)c1ccccc1 ZINC000104873052 194049283 /nfs/dbraw/zinc/04/92/83/194049283.db2.gz NBLQOPHKQSJRSO-HKUYNNGSSA-N 1 0 324.424 3.319 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105001322 194063296 /nfs/dbraw/zinc/06/32/96/194063296.db2.gz BUIWWQPWNCXQKO-HNNXBMFYSA-N 1 0 317.433 3.176 10 0 DGAERO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1cncnc1 ZINC000105491098 194105674 /nfs/dbraw/zinc/10/56/74/194105674.db2.gz AILQRRKPSUZWGI-UHFFFAOYSA-N 1 0 320.234 3.350 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000105806282 194133451 /nfs/dbraw/zinc/13/34/51/194133451.db2.gz SKBMEQRQHOHIOO-UHFFFAOYSA-N 1 0 316.836 3.231 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1 ZINC000105872235 194152243 /nfs/dbraw/zinc/15/22/43/194152243.db2.gz LQWZWPPHVGCMNQ-KOLCDFICSA-N 1 0 311.216 3.251 10 0 DGAERO Cn1ccnc1CC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000105876140 194153188 /nfs/dbraw/zinc/15/31/88/194153188.db2.gz DCRYVYHMQIVZOC-UHFFFAOYSA-N 1 0 320.440 3.423 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)CC2 ZINC000105874355 194153561 /nfs/dbraw/zinc/15/35/61/194153561.db2.gz VPNASQNWFXSKNM-YPMHNXCESA-N 1 0 320.387 3.345 10 0 DGAERO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106079767 194184026 /nfs/dbraw/zinc/18/40/26/194184026.db2.gz NFINRHFJWVAKBN-MRXNPFEDSA-N 1 0 316.836 3.231 10 0 DGAERO C[C@H](c1ccccc1Cl)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106068773 194184277 /nfs/dbraw/zinc/18/42/77/194184277.db2.gz LOJYQTXFZNGBTG-CQSZACIVSA-N 1 0 316.836 3.403 10 0 DGAERO CN(c1cccnn1)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000106083633 194184877 /nfs/dbraw/zinc/18/48/77/194184877.db2.gz DDNUJJSWIKPVSD-IBGZPJMESA-N 1 0 322.456 3.455 10 0 DGAERO FC(F)Oc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000106182609 194188844 /nfs/dbraw/zinc/18/88/44/194188844.db2.gz SYTKIDRZRVNNID-UHFFFAOYSA-N 1 0 321.371 3.397 10 0 DGAERO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000106174871 194189511 /nfs/dbraw/zinc/18/95/11/194189511.db2.gz IWAMLEMYXKDJAW-KRWDZBQOSA-N 1 0 312.461 3.488 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)c1 ZINC000106224942 194190805 /nfs/dbraw/zinc/19/08/05/194190805.db2.gz MBBGXBYFVCCSIE-INIZCTEOSA-N 1 0 303.381 3.047 10 0 DGAERO CC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000162693767 292857651 /nfs/dbraw/zinc/85/76/51/292857651.db2.gz HUVGJQYJIAGGIS-FZMZJTMJSA-N 1 0 303.855 3.061 10 0 DGAERO CCC[C@@H](C)N(C)c1ncc(Br)cc1C[NH2+]C ZINC000051446515 183827435 /nfs/dbraw/zinc/82/74/35/183827435.db2.gz ULEAFLNPAAZZDC-SNVBAGLBSA-N 1 0 300.244 3.188 10 0 DGAERO Clc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000109821404 194289097 /nfs/dbraw/zinc/28/90/97/194289097.db2.gz RTUCPISJASLZDC-QGZVFWFLSA-N 1 0 308.853 3.027 10 0 DGAERO Cc1cccc(-c2noc(C[N@H+](CCO)C3CCCCC3)n2)c1 ZINC000110036014 194304835 /nfs/dbraw/zinc/30/48/35/194304835.db2.gz AQFJLQSVXLVZOT-UHFFFAOYSA-N 1 0 315.417 3.172 10 0 DGAERO CN(c1cc[nH+]c2ccccc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000110543178 194338069 /nfs/dbraw/zinc/33/80/69/194338069.db2.gz ZPMHWFUXDSIEMZ-HNNXBMFYSA-N 1 0 319.412 3.130 10 0 DGAERO Brc1ccccc1SCC[NH2+]C[C@H]1CCOC1 ZINC000053621408 183908271 /nfs/dbraw/zinc/90/82/71/183908271.db2.gz HRPKZSOQFLKVAY-LLVKDONJSA-N 1 0 316.264 3.167 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)C1(C)C ZINC000245927903 284855792 /nfs/dbraw/zinc/85/57/92/284855792.db2.gz RWFZMRJCYQGLKN-KBRIMQKVSA-N 1 0 314.433 3.122 10 0 DGAERO CC[C@@H](C[NH2+]CCOC)Cc1cccc(Br)c1 ZINC000054663491 183947513 /nfs/dbraw/zinc/94/75/13/183947513.db2.gz UBNRLKFAHNRJBG-GFCCVEGCSA-N 1 0 300.240 3.254 10 0 DGAERO CCCOc1ccc(C[NH2+]CCCOc2ccccn2)cc1 ZINC000057353398 184035220 /nfs/dbraw/zinc/03/52/20/184035220.db2.gz HHYHMKKENNLRQF-UHFFFAOYSA-N 1 0 300.402 3.429 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c2c(c1)OCCO2 ZINC000268966633 207130504 /nfs/dbraw/zinc/13/05/04/207130504.db2.gz KYFYVBANWGOGDS-MRXNPFEDSA-N 1 0 317.429 3.429 10 0 DGAERO c1sc(C2CCCC2)nc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000061040685 184160013 /nfs/dbraw/zinc/16/00/13/184160013.db2.gz JSQYVPCSJRUYFJ-UHFFFAOYSA-N 1 0 305.491 3.471 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061605951 184177312 /nfs/dbraw/zinc/17/73/12/184177312.db2.gz MUXRHMXPKCDQHU-UHFFFAOYSA-N 1 0 324.877 3.372 10 0 DGAERO CN(Cc1ccccc1Cl)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611937 184178755 /nfs/dbraw/zinc/17/87/55/184178755.db2.gz KBDDYKVYTDKHAW-OAHLLOKOSA-N 1 0 302.805 3.041 10 0 DGAERO O=C(Nc1cc(Br)ccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000061692470 184183531 /nfs/dbraw/zinc/18/35/31/184183531.db2.gz GLNCDHXKBWGYTO-SNVBAGLBSA-N 1 0 317.614 3.183 10 0 DGAERO CC(C)(C)[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1Cl ZINC000061692434 184183587 /nfs/dbraw/zinc/18/35/87/184183587.db2.gz QPHGRTQADUGRKP-SNVBAGLBSA-N 1 0 319.630 3.414 10 0 DGAERO COC(=O)C[C@H](C)C[C@H]([NH3+])c1ccc(Br)cc1 ZINC000061829948 184188863 /nfs/dbraw/zinc/18/88/63/184188863.db2.gz BYRWXQYNRDAULH-SKDRFNHKSA-N 1 0 300.196 3.038 10 0 DGAERO [NH3+]C[C@H](SC1CCOCC1)c1cccc(Br)c1 ZINC000062054182 184203511 /nfs/dbraw/zinc/20/35/11/184203511.db2.gz BEFSQBZYBZQHGF-ZDUSSCGKSA-N 1 0 316.264 3.361 10 0 DGAERO CC[NH2+]C[C@]1(Cc2cc(Br)cs2)CCCOC1 ZINC000062194168 184218400 /nfs/dbraw/zinc/21/84/00/184218400.db2.gz QZEBMLWALJAAPT-CYBMUJFWSA-N 1 0 318.280 3.459 10 0 DGAERO C[NH2+][C@@H](c1ccc(OC)cc1Br)[C@H]1CCCOC1 ZINC000062234265 184224037 /nfs/dbraw/zinc/22/40/37/184224037.db2.gz ZGOUOWZNLBQVGD-IINYFYTJSA-N 1 0 314.223 3.145 10 0 DGAERO CC[NH2+][C@H](Cc1cccc(Br)c1)[C@H]1CCCOC1 ZINC000062237849 184224263 /nfs/dbraw/zinc/22/42/63/184224263.db2.gz DTYVVDZCIWCOKH-DZGCQCFKSA-N 1 0 312.251 3.396 10 0 DGAERO Cc1ncc(COc2c(Br)cccc2C[NH3+])s1 ZINC000062336721 184231001 /nfs/dbraw/zinc/23/10/01/184231001.db2.gz FUCFVCIQGXQHAG-UHFFFAOYSA-N 1 0 313.220 3.252 10 0 DGAERO [NH3+][C@@H](CNC(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000062837894 184255506 /nfs/dbraw/zinc/25/55/06/184255506.db2.gz JQXRQBCCYPENJY-ZDUSSCGKSA-N 1 0 309.196 3.423 10 0 DGAERO CCC[C@@]1(c2nc3cc(Br)cnc3[nH]2)CCC[NH2+]C1 ZINC000062869239 184257458 /nfs/dbraw/zinc/25/74/58/184257458.db2.gz PJYULKGWHRMYER-CQSZACIVSA-N 1 0 323.238 3.142 10 0 DGAERO Nc1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c(Br)c1 ZINC000062976057 184264479 /nfs/dbraw/zinc/26/44/79/184264479.db2.gz CMIJVEPFYXPJEB-ZDUSSCGKSA-N 1 0 324.266 3.096 10 0 DGAERO CN(Cc1ccccc1Br)[C@@H](C[NH3+])c1ccoc1 ZINC000063047790 184268268 /nfs/dbraw/zinc/26/82/68/184268268.db2.gz KHGIUQIMZBUZKE-AWEZNQCLSA-N 1 0 309.207 3.174 10 0 DGAERO COc1cc2[nH+]ccc(Nc3ccc(C(N)=O)cc3)c2cc1OC ZINC000065005290 184308365 /nfs/dbraw/zinc/30/83/65/184308365.db2.gz LGOCLOUWXCFTBX-UHFFFAOYSA-N 1 0 323.352 3.095 10 0 DGAERO COC[C@H](c1ccccn1)[N@H+](C)Cc1ccnc2ccccc12 ZINC000065407023 184338317 /nfs/dbraw/zinc/33/83/17/184338317.db2.gz MAOVLTRDTAOCLC-LJQANCHMSA-N 1 0 307.397 3.449 10 0 DGAERO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000247084052 284942400 /nfs/dbraw/zinc/94/24/00/284942400.db2.gz VWKBFOOMRAAWSN-ILXRZTDVSA-N 1 0 318.461 3.429 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2cccc(F)c2)n1 ZINC000113271565 194577703 /nfs/dbraw/zinc/57/77/03/194577703.db2.gz KXAVOVSDSUVYLG-SUMWQHHRSA-N 1 0 315.392 3.149 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000085364150 252596952 /nfs/dbraw/zinc/59/69/52/252596952.db2.gz OTZUWFPUEWLDNE-WQAKAFBOSA-N 1 0 300.324 3.010 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@]1(CCO)CCOC1 ZINC000119594334 252629379 /nfs/dbraw/zinc/62/93/79/252629379.db2.gz PPFHYBFMEPHGGG-OOXMNIKJSA-N 1 0 309.837 3.122 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)cc1Cl ZINC000248650443 285013863 /nfs/dbraw/zinc/01/38/63/285013863.db2.gz ACYNIMZLVBLBNF-KGLIPLIRSA-N 1 0 306.837 3.347 10 0 DGAERO CCC[C@@H](CCc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173912901 252664638 /nfs/dbraw/zinc/66/46/38/252664638.db2.gz YQNCDKHGOWKJFJ-ROUUACIJSA-N 1 0 317.477 3.133 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c(C3CC3)nc3sccn23)CC[C@@H]1C ZINC000249234144 207674919 /nfs/dbraw/zinc/67/49/19/207674919.db2.gz VWICHLHDQSIVRC-SMDDNHRTSA-N 1 0 305.447 3.130 10 0 DGAERO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CCCC[C@H]1O)CCC2 ZINC000248763282 285024786 /nfs/dbraw/zinc/02/47/86/285024786.db2.gz DYHMACPSYKXNEQ-BFHYXJOUSA-N 1 0 321.417 3.035 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@H]2CCSc3ccc(OC)cc32)C1 ZINC000248866185 285033864 /nfs/dbraw/zinc/03/38/64/285033864.db2.gz TUOIQSMVWWKFSD-BBRMVZONSA-N 1 0 306.475 3.306 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1cnn(C)c1 ZINC000119674467 195014738 /nfs/dbraw/zinc/01/47/38/195014738.db2.gz OTYNXESXMOVFNM-QFBILLFUSA-N 1 0 312.461 3.125 10 0 DGAERO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000172171562 533005919 /nfs/dbraw/zinc/00/59/19/533005919.db2.gz VWKBFOOMRAAWSN-KKUMJFAQSA-N 1 0 318.461 3.429 10 0 DGAERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)CC1 ZINC000249008692 285045544 /nfs/dbraw/zinc/04/55/44/285045544.db2.gz JIHJHHKZNKIWGP-IAGOWNOFSA-N 1 0 322.493 3.223 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000249030785 285047520 /nfs/dbraw/zinc/04/75/20/285047520.db2.gz BFODWCKACNHWCU-ULQDDVLXSA-N 1 0 300.450 3.027 10 0 DGAERO C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248998174 285044816 /nfs/dbraw/zinc/04/48/16/285044816.db2.gz MKJOFAJIBBTMJH-MYZZLAAOSA-N 1 0 300.446 3.374 10 0 DGAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000249113511 285056785 /nfs/dbraw/zinc/05/67/85/285056785.db2.gz NIFKYEUCHPNOEP-DYVFJYSZSA-N 1 0 308.491 3.362 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2ccccc2F)o1 ZINC000120030289 195084292 /nfs/dbraw/zinc/08/42/92/195084292.db2.gz UDIWVULZTCELNG-UONOGXRCSA-N 1 0 315.392 3.149 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249179058 285061636 /nfs/dbraw/zinc/06/16/36/285061636.db2.gz GXFHYBWRPWULBF-QRVBRYPASA-N 1 0 300.446 3.097 10 0 DGAERO C[C@H]1CCN(C(=O)Nc2nc(C3CCC3)cs2)[C@@H](C[NH3+])C1 ZINC000333352439 252949412 /nfs/dbraw/zinc/94/94/12/252949412.db2.gz RPIMXYDWVFIPNB-CMPLNLGQSA-N 1 0 308.451 3.002 10 0 DGAERO CC1(C)CN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000333502108 252956574 /nfs/dbraw/zinc/95/65/74/252956574.db2.gz FNGTXRHSRKNXLC-OUCADQQQSA-N 1 0 307.463 3.111 10 0 DGAERO C[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000120135354 195102361 /nfs/dbraw/zinc/10/23/61/195102361.db2.gz MNWNIDCBPUWRSZ-GJZGRUSLSA-N 1 0 306.475 3.329 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000249277985 285066330 /nfs/dbraw/zinc/06/63/30/285066330.db2.gz DUUXRYDCEAUIHK-RRFJBIMHSA-N 1 0 306.475 3.293 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000249276397 285066406 /nfs/dbraw/zinc/06/64/06/285066406.db2.gz DDSCMRNCQCLWRJ-WDSOQIARSA-N 1 0 314.473 3.402 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249429429 285073455 /nfs/dbraw/zinc/07/34/55/285073455.db2.gz JKRGDXWIGATXCU-QFBILLFUSA-N 1 0 314.473 3.103 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000336789065 253000843 /nfs/dbraw/zinc/00/08/43/253000843.db2.gz RQYARKZRQUSDIM-GWCFXTLKSA-N 1 0 316.214 3.229 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000336789067 253001311 /nfs/dbraw/zinc/00/13/11/253001311.db2.gz RQYARKZRQUSDIM-MFKMUULPSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000336793897 253002024 /nfs/dbraw/zinc/00/20/24/253002024.db2.gz YVZNVAZZYGCBBB-CABZTGNLSA-N 1 0 312.207 3.108 10 0 DGAERO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c(C)c1 ZINC000249527499 285079254 /nfs/dbraw/zinc/07/92/54/285079254.db2.gz AHSVKHWAADPOJC-BFUOFWGJSA-N 1 0 318.461 3.033 10 0 DGAERO C[C@H](CNC(=O)N(C)Cc1ccc(F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000249531812 285079768 /nfs/dbraw/zinc/07/97/68/285079768.db2.gz ZPSHHQMBQCSMKP-LSDHHAIUSA-N 1 0 321.440 3.088 10 0 DGAERO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000336895207 253019589 /nfs/dbraw/zinc/01/95/89/253019589.db2.gz MSVYIRXNNQFITA-YGRLFVJLSA-N 1 0 316.214 3.229 10 0 DGAERO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCCn1ccnn1 ZINC000337235024 253066595 /nfs/dbraw/zinc/06/65/95/253066595.db2.gz BMHIPQKIHYUREY-ACCUITESSA-N 1 0 324.350 3.380 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)c2ccc(C)cc2)C1 ZINC000249752651 285086970 /nfs/dbraw/zinc/08/69/70/285086970.db2.gz DWIFBCGBSYLBLU-WBVHZDCISA-N 1 0 303.450 3.182 10 0 DGAERO COC[C@H](C)C[NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000249777327 285088661 /nfs/dbraw/zinc/08/86/61/285088661.db2.gz KNTNYVWKVKMXCY-JTDSTZFVSA-N 1 0 321.461 3.184 10 0 DGAERO COC[C@@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000249878898 285090509 /nfs/dbraw/zinc/09/05/09/285090509.db2.gz HICXRQCAXXEPNH-RTBURBONSA-N 1 0 302.462 3.056 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC[C@@H]1C ZINC000251945335 285100156 /nfs/dbraw/zinc/10/01/56/285100156.db2.gz UXUJRTWPQPVFCG-KFKAGJAMSA-N 1 0 319.445 3.101 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000254941679 285113777 /nfs/dbraw/zinc/11/37/77/285113777.db2.gz AWHHSPUPRZBXST-SVEBXFOSSA-N 1 0 304.409 3.220 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CSC2(C)C)cc(Cl)c1OC ZINC000338480101 253294819 /nfs/dbraw/zinc/29/48/19/253294819.db2.gz CERMZPCHTKKFFY-GFCCVEGCSA-N 1 0 301.839 3.341 10 0 DGAERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cccs1 ZINC000159066773 197323741 /nfs/dbraw/zinc/32/37/41/197323741.db2.gz IQESBZLZNKERBY-DZGCQCFKSA-N 1 0 302.443 3.098 10 0 DGAERO Cc1ccc(/C=C\CC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000255290047 285142362 /nfs/dbraw/zinc/14/23/62/285142362.db2.gz OARBZTMREVCLJH-WAYWQWQTSA-N 1 0 300.446 3.389 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccc(Cl)s1 ZINC000255574333 285166289 /nfs/dbraw/zinc/16/62/89/285166289.db2.gz CEZNKKKFDOIPDV-OXTPZFROSA-N 1 0 310.850 3.110 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCO[C@H](c2cccs2)C1)c1ccccc1 ZINC000157587902 197200253 /nfs/dbraw/zinc/20/02/53/197200253.db2.gz QTFYMDVDQJTMNB-DOTOQJQBSA-N 1 0 303.427 3.029 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342818765 254058870 /nfs/dbraw/zinc/05/88/70/254058870.db2.gz SGOOWQYORBPPAZ-HOTGVXAUSA-N 1 0 315.442 3.349 10 0 DGAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000343504070 254152808 /nfs/dbraw/zinc/15/28/08/254152808.db2.gz CWIGWFJFQGCXSQ-MBOZVWFJSA-N 1 0 316.489 3.444 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000255671780 285173018 /nfs/dbraw/zinc/17/30/18/285173018.db2.gz QOHOIJJDCLLRKF-VPIBYOGUSA-N 1 0 318.436 3.466 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C/C=C\c2cccc(F)c2)C1 ZINC000255724662 285176731 /nfs/dbraw/zinc/17/67/31/285176731.db2.gz GMQCWJAARZOWAP-DANOYGIBSA-N 1 0 318.436 3.466 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)n1 ZINC000157245083 197172497 /nfs/dbraw/zinc/17/24/97/197172497.db2.gz MRHUVMZTCPWLAR-LBPRGKRZSA-N 1 0 303.406 3.449 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C1CCC(F)(F)CC1 ZINC000157233099 197171778 /nfs/dbraw/zinc/17/17/78/197171778.db2.gz OIECQURCQKTAJI-MRXNPFEDSA-N 1 0 324.415 3.101 10 0 DGAERO C[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000261381091 285190291 /nfs/dbraw/zinc/19/02/91/285190291.db2.gz DOZKZBZFCYSWHQ-FUHWJXTLSA-N 1 0 315.461 3.093 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CC[C@H]2SC)cc1Br ZINC000344963071 254319023 /nfs/dbraw/zinc/31/90/23/254319023.db2.gz XUVGTIKDCKSLQP-WCQYABFASA-N 1 0 316.264 3.441 10 0 DGAERO O=C(N[C@@H]1CCc2cc(Cl)ccc21)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262411269 285194878 /nfs/dbraw/zinc/19/48/78/285194878.db2.gz DRVWPUJUYSZGEF-YYQUZTFQSA-N 1 0 318.848 3.364 10 0 DGAERO c1cc2c(cccc2C[NH+]2CCC(Nc3cccnn3)CC2)[nH]1 ZINC000120331316 195145440 /nfs/dbraw/zinc/14/54/40/195145440.db2.gz AIDDZFMLJQIECU-UHFFFAOYSA-N 1 0 307.401 3.034 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000262642484 285196283 /nfs/dbraw/zinc/19/62/83/285196283.db2.gz RYKLJPYGVLPQLO-KZNAEPCWSA-N 1 0 302.462 3.292 10 0 DGAERO COc1ccc([C@H](C)CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155628076 197074032 /nfs/dbraw/zinc/07/40/32/197074032.db2.gz HQMNHXMBEJZOBH-VKJFTORMSA-N 1 0 318.461 3.034 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(F)c(F)cc2Cl)[C@@H](C)C1 ZINC000155420058 197052838 /nfs/dbraw/zinc/05/28/38/197052838.db2.gz ATTQZPSHEPLLLM-XPTSAGLGSA-N 1 0 316.779 3.077 10 0 DGAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000155216967 197032977 /nfs/dbraw/zinc/03/29/77/197032977.db2.gz FEEBQFGFSCSEIT-CABCVRRESA-N 1 0 324.415 3.277 10 0 DGAERO CCc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000120392601 195156421 /nfs/dbraw/zinc/15/64/21/195156421.db2.gz DFMCVXPYYLCBSI-WMLDXEAASA-N 1 0 303.450 3.443 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1C ZINC000120568079 195191923 /nfs/dbraw/zinc/19/19/23/195191923.db2.gz JZNPXCVKEGFSTE-MRXNPFEDSA-N 1 0 316.445 3.044 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cn(C)nc2C)c1 ZINC000120619058 195201987 /nfs/dbraw/zinc/20/19/87/195201987.db2.gz GTCYEPYMDJWJFD-QGZVFWFLSA-N 1 0 315.417 3.083 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc(C)c1O ZINC000302796110 285278957 /nfs/dbraw/zinc/27/89/57/285278957.db2.gz XBYWYWMMIWXPKL-LJQANCHMSA-N 1 0 310.441 3.373 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000289884516 221290722 /nfs/dbraw/zinc/29/07/22/221290722.db2.gz RXJQQHQMHZQEBM-QGZVFWFLSA-N 1 0 306.381 3.040 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc2c1COC2 ZINC000341395745 285322867 /nfs/dbraw/zinc/32/28/67/285322867.db2.gz GEUNJRVIKACUSK-KVSKMBFKSA-N 1 0 301.430 3.402 10 0 DGAERO Cc1ccsc1C[N@H+]1CC[C@@H]2C[C@@H](c3nc(C)no3)O[C@H]2C1 ZINC000248046937 257109465 /nfs/dbraw/zinc/10/94/65/257109465.db2.gz VUTHFZLSSCSXHJ-RDBSUJKOSA-N 1 0 319.430 3.100 10 0 DGAERO CO[C@@H]1CC[N@H+](Cc2cc(C)on2)C[C@H]1Cc1cccc(C)c1 ZINC000247861060 257116199 /nfs/dbraw/zinc/11/61/99/257116199.db2.gz WCNYORMTRWCLFX-IEBWSBKVSA-N 1 0 314.429 3.371 10 0 DGAERO CO[C@@H]1CC[N@@H+](C2CCOCC2)C[C@H]1Cc1cccc(C)c1 ZINC000247858572 257116265 /nfs/dbraw/zinc/11/62/65/257116265.db2.gz FDCXTPQRBSGJGM-IEBWSBKVSA-N 1 0 303.446 3.053 10 0 DGAERO O[C@H](C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000114484203 285350689 /nfs/dbraw/zinc/35/06/89/285350689.db2.gz DBLUJYVIXKMWJA-HZPDHXFCSA-N 1 0 305.809 3.324 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cncc(F)c1 ZINC000120953265 195270657 /nfs/dbraw/zinc/27/06/57/195270657.db2.gz LOMOXVAYZJUSOO-GFCCVEGCSA-N 1 0 305.372 3.272 10 0 DGAERO Cc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1 ZINC000120947462 195269826 /nfs/dbraw/zinc/26/98/26/195269826.db2.gz IAOKJKNJXINUTA-GJZGRUSLSA-N 1 0 317.477 3.186 10 0 DGAERO Cc1ccc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC000120947314 195269980 /nfs/dbraw/zinc/26/99/80/195269980.db2.gz IAOKJKNJXINUTA-GASCZTMLSA-N 1 0 317.477 3.186 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1ccccc1Cl ZINC000128648546 285357276 /nfs/dbraw/zinc/35/72/76/285357276.db2.gz FQPTVMLUSDDBCL-YESZJQIVSA-N 1 0 319.836 3.343 10 0 DGAERO C[C@H]1CCC[C@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000121030769 195282577 /nfs/dbraw/zinc/28/25/77/195282577.db2.gz ANIFLDJHSXTZPG-ZFWWWQNUSA-N 1 0 306.425 3.330 10 0 DGAERO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](O)C(F)(F)F)CC1 ZINC000121616084 195316819 /nfs/dbraw/zinc/31/68/19/195316819.db2.gz SLRQROPAGIMDFR-HNNXBMFYSA-N 1 0 324.346 3.489 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@H](C)c1cccs1 ZINC000121630210 195319145 /nfs/dbraw/zinc/31/91/45/195319145.db2.gz VETKBBFGZKQANN-KGLIPLIRSA-N 1 0 311.495 3.427 10 0 DGAERO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121981575 195386087 /nfs/dbraw/zinc/38/60/87/195386087.db2.gz QBSMPHDZUXULKK-KBAYOESNSA-N 1 0 304.478 3.147 10 0 DGAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000312529281 533298249 /nfs/dbraw/zinc/29/82/49/533298249.db2.gz PMFXPKHRTZNRTB-MNOVXSKESA-N 1 0 311.834 3.136 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCCCOC1CCCCC1)C1CCCC1 ZINC000184641403 533348658 /nfs/dbraw/zinc/34/86/58/533348658.db2.gz RKEORYFPZXELDP-OAHLLOKOSA-N 1 0 310.482 3.010 10 0 DGAERO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000183604197 533571850 /nfs/dbraw/zinc/57/18/50/533571850.db2.gz LDAAKMZPBFTQHQ-ZIAGYGMSSA-N 1 0 305.418 3.468 10 0 DGAERO CCC1([NH2+]Cc2ncc(I)s2)CCC1 ZINC000286251479 131226735 /nfs/dbraw/zinc/22/67/35/131226735.db2.gz APBHJSUCTILPFT-UHFFFAOYSA-N 1 0 322.215 3.170 10 0 DGAERO c1ccc(OCCOCC[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000337390926 285486065 /nfs/dbraw/zinc/48/60/65/285486065.db2.gz NLRLIYNKTNOGFB-SFHVURJKSA-N 1 0 319.445 3.021 10 0 DGAERO C[C@H](C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000164199538 132131295 /nfs/dbraw/zinc/13/12/95/132131295.db2.gz HKDXPNKEOTVXRD-UWVGGRQHSA-N 1 0 315.244 3.368 10 0 DGAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356833763 285512666 /nfs/dbraw/zinc/51/26/66/285512666.db2.gz FNAPAJRUFSOPER-ZFWWWQNUSA-N 1 0 322.415 3.054 10 0 DGAERO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000356908453 285554568 /nfs/dbraw/zinc/55/45/68/285554568.db2.gz XTTHPAFQSHMIIZ-QZTJIDSGSA-N 1 0 308.510 3.434 10 0 DGAERO C[NH2+][C@H]1CCN(c2ccc(Br)cc2F)C[C@@H]1C ZINC000049712063 134757382 /nfs/dbraw/zinc/75/73/82/134757382.db2.gz PDUHORCMIIEAJT-CABZTGNLSA-N 1 0 301.203 3.022 10 0 DGAERO C[NH+](C)C1(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CCCC1 ZINC000357022229 285608337 /nfs/dbraw/zinc/60/83/37/285608337.db2.gz UKWRQJVMDZXBRD-ZFWWWQNUSA-N 1 0 322.399 3.059 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@@]2(C)CCCc3ccccc32)CCOCC1 ZINC000453169490 292136059 /nfs/dbraw/zinc/13/60/59/292136059.db2.gz UFPZFSIUMXLDSY-VQIMIIECSA-N 1 0 317.473 3.454 10 0 DGAERO Cn1cc(C[N@H+](C)CCOc2c(Cl)cccc2Cl)cn1 ZINC000066564839 400100194 /nfs/dbraw/zinc/10/01/94/400100194.db2.gz HMIYMGAZWZFVKE-UHFFFAOYSA-N 1 0 314.216 3.238 10 0 DGAERO C[C@H](NC(=O)N1CCC2(C1)CCCCC2)C1CC[NH+](C)CC1 ZINC000608692965 400103395 /nfs/dbraw/zinc/10/33/95/400103395.db2.gz IUGWYGFZBWCHSR-HNNXBMFYSA-N 1 0 307.482 3.083 10 0 DGAERO CC[N@H+](CCO)[C@H]1C=CC(/C=C/c2ccc([N+](=O)[O-])cc2)=CC1 ZINC000002389328 400081286 /nfs/dbraw/zinc/08/12/86/400081286.db2.gz JBXMOMCJZXCJFP-IDOMTICXSA-N 1 0 314.385 3.177 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@H](NC(=O)c3ccc(Cl)cc3)CCC[C@@H]2C1 ZINC000001841690 400081646 /nfs/dbraw/zinc/08/16/46/400081646.db2.gz PRJGCDIWQLEJOU-FVQBIDKESA-N 1 0 306.837 3.190 10 0 DGAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Br ZINC000003678308 400083556 /nfs/dbraw/zinc/08/35/56/400083556.db2.gz JHGMOWMNMVTKBU-SNVBAGLBSA-N 1 0 306.587 3.056 10 0 DGAERO Cc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCC[NH2+]3)c2)c1 ZINC000616575099 400175703 /nfs/dbraw/zinc/17/57/03/400175703.db2.gz FDMXNWYBOAESFE-FQEVSTJZSA-N 1 0 308.425 3.202 10 0 DGAERO COC(=O)c1cnc(-c2ccc(Cl)cc2)nc1[C@@H]1CCC[NH2+]1 ZINC000616578567 400176884 /nfs/dbraw/zinc/17/68/84/400176884.db2.gz MKABTPGJELQMNG-ZDUSSCGKSA-N 1 0 317.776 3.008 10 0 DGAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1cnnc2ccccc21 ZINC000616596670 400179973 /nfs/dbraw/zinc/17/99/73/400179973.db2.gz WZANPCINVDTNFP-IBGZPJMESA-N 1 0 304.397 3.082 10 0 DGAERO CCOC(=O)c1ccc([C@@H]2CCOCC[N@@H+]2C(C)(C)C)cc1 ZINC000616598943 400181220 /nfs/dbraw/zinc/18/12/20/400181220.db2.gz VPFMWZMAVKNSDU-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO CCOC(=O)c1ccccc1[C@@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616598794 400181393 /nfs/dbraw/zinc/18/13/93/400181393.db2.gz RWVITLSXEWLVRL-AWEZNQCLSA-N 1 0 305.418 3.078 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H]1c1ccc(N)cc1 ZINC000616616131 400185220 /nfs/dbraw/zinc/18/52/20/400185220.db2.gz IPMVPWHUQGPMDP-INIZCTEOSA-N 1 0 319.449 3.321 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000584883767 400121165 /nfs/dbraw/zinc/12/11/65/400121165.db2.gz HAUHHQVXUFBIOK-UHFFFAOYSA-N 1 0 308.447 3.120 10 0 DGAERO COc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000008247738 400121908 /nfs/dbraw/zinc/12/19/08/400121908.db2.gz CRQRNEHDKHOXFB-LLVKDONJSA-N 1 0 320.339 3.263 10 0 DGAERO CC(C)c1noc(-c2ccnc(NC[C@@H]3CCC[N@H+](C)C3)c2)n1 ZINC000091482641 400122496 /nfs/dbraw/zinc/12/24/96/400122496.db2.gz RIVWIOSGPLEKSZ-ZDUSSCGKSA-N 1 0 315.421 3.009 10 0 DGAERO CC(C)c1noc(-c2ccnc(NC[C@H]3CCC[N@H+](C)C3)c2)n1 ZINC000091482643 400122585 /nfs/dbraw/zinc/12/25/85/400122585.db2.gz RIVWIOSGPLEKSZ-CYBMUJFWSA-N 1 0 315.421 3.009 10 0 DGAERO CSc1ccc(N2CCC[C@H]([NH+]3CCCCCC3)C2)nn1 ZINC000091482551 400122679 /nfs/dbraw/zinc/12/26/79/400122679.db2.gz IAMPAUCQMKNAIU-AWEZNQCLSA-N 1 0 306.479 3.043 10 0 DGAERO CNc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310108051 400133947 /nfs/dbraw/zinc/13/39/47/400133947.db2.gz DLFZIWVUDZGCJL-KRWDZBQOSA-N 1 0 323.440 3.075 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000311847357 400135914 /nfs/dbraw/zinc/13/59/14/400135914.db2.gz NUOUJLNAIKIXNR-SUZMYJTESA-N 1 0 304.217 3.121 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(CSC)cc2)C1 ZINC000067352579 400163047 /nfs/dbraw/zinc/16/30/47/400163047.db2.gz ZMQCPTSCZQWFIJ-OAHLLOKOSA-N 1 0 307.463 3.155 10 0 DGAERO CCN1CC[NH2+][C@@H](c2cccc(N(C)C(=O)OC(C)(C)C)c2)C1 ZINC000616632390 400188012 /nfs/dbraw/zinc/18/80/12/400188012.db2.gz PELOBLZJFIGHPJ-MRXNPFEDSA-N 1 0 319.449 3.024 10 0 DGAERO [NH2+]=C(NCc1ccc(Cl)cc1)SCCCc1ncc[nH]1 ZINC000025757585 400243384 /nfs/dbraw/zinc/24/33/84/400243384.db2.gz MEOJUCPAMSMKFT-UHFFFAOYSA-N 1 0 308.838 3.453 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3ccc4ncccc4c3)C2)cc1 ZINC000616633129 400189864 /nfs/dbraw/zinc/18/98/64/400189864.db2.gz KMMSMDSYBVUWQC-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccc2cccnc21 ZINC000616635485 400190169 /nfs/dbraw/zinc/19/01/69/400190169.db2.gz GFGZLPGGZCSLTL-OAHLLOKOSA-N 1 0 313.401 3.116 10 0 DGAERO CCN1CC[NH2+]C[C@@H]1c1ccccc1N(C)C(=O)OC(C)(C)C ZINC000616637635 400191318 /nfs/dbraw/zinc/19/13/18/400191318.db2.gz PZDBTCKMIRBGBI-MRXNPFEDSA-N 1 0 319.449 3.024 10 0 DGAERO C[N@@H+]1CCCO[C@@H](c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000616653221 400193789 /nfs/dbraw/zinc/19/37/89/400193789.db2.gz WISYHWYVIIMPSQ-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2C[N@H+](C)CCCO2)cc1 ZINC000616652493 400194223 /nfs/dbraw/zinc/19/42/23/400194223.db2.gz NIXPDDCBAZYYMX-MRXNPFEDSA-N 1 0 320.433 3.451 10 0 DGAERO C[N@@H+]1CCCO[C@H](c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000616652772 400194518 /nfs/dbraw/zinc/19/45/18/400194518.db2.gz WISYHWYVIIMPSQ-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO c1ccc(C[N@@H+]2CCOC[C@@H](c3ccc4ccnnc4c3)C2)cc1 ZINC000616659877 400195058 /nfs/dbraw/zinc/19/50/58/400195058.db2.gz JIGYGGJVRZESIA-IBGZPJMESA-N 1 0 319.408 3.246 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCOCC[NH2+]2)c1 ZINC000616660991 400195340 /nfs/dbraw/zinc/19/53/40/400195340.db2.gz VAEPQMLXCBLQAH-HNNXBMFYSA-N 1 0 306.406 3.109 10 0 DGAERO CC[N@@H+]1CCOC[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616660780 400195538 /nfs/dbraw/zinc/19/55/38/400195538.db2.gz QHOQEDHXHVUYFW-OAHLLOKOSA-N 1 0 320.433 3.469 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCOCC[NH2+]2)cc1 ZINC000616657592 400195707 /nfs/dbraw/zinc/19/57/07/400195707.db2.gz DYXZFLIOKVDTQC-HNNXBMFYSA-N 1 0 306.406 3.109 10 0 DGAERO C[N@@H+]1CCOC[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616659009 400195839 /nfs/dbraw/zinc/19/58/39/400195839.db2.gz MXBPGHMCQHRPKX-CQSZACIVSA-N 1 0 306.406 3.079 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1COCC[N@H+](C)C1 ZINC000616658302 400195910 /nfs/dbraw/zinc/19/59/10/400195910.db2.gz LDQHYFUZSUPMQH-CQSZACIVSA-N 1 0 320.433 3.104 10 0 DGAERO CC(=O)Nc1cccc([C@H]2COCC[N@H+](Cc3ccccc3)C2)c1 ZINC000616664205 400197153 /nfs/dbraw/zinc/19/71/53/400197153.db2.gz XANHDLYEHQAPCE-LJQANCHMSA-N 1 0 324.424 3.261 10 0 DGAERO Cc1ccc(O)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000024114791 400217268 /nfs/dbraw/zinc/21/72/68/400217268.db2.gz BYYXFBFNIBSOOC-UHFFFAOYSA-N 1 0 324.424 3.226 10 0 DGAERO CCC[C@H](CCO)C[NH2+]Cc1ccsc1Br ZINC000388751406 400268232 /nfs/dbraw/zinc/26/82/32/400268232.db2.gz OSLHJBVZTTTZBW-SNVBAGLBSA-N 1 0 306.269 3.399 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)COc1c(Cl)cccc1Cl ZINC000397746242 400285845 /nfs/dbraw/zinc/28/58/45/400285845.db2.gz JFEKKSNJKOAKGJ-USZNOCQGSA-N 1 0 316.228 3.121 10 0 DGAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000399063617 400288363 /nfs/dbraw/zinc/28/83/63/400288363.db2.gz LVAWFOJASRKBTI-LLVKDONJSA-N 1 0 317.260 3.101 10 0 DGAERO C[C@@H]1C[C@H](CC(=O)Nc2cnn(CC[NH+](C)C)c2)CC(C)(C)C1 ZINC000589347716 400291238 /nfs/dbraw/zinc/29/12/38/400291238.db2.gz KAVQYDXOJUEYRZ-HUUCEWRRSA-N 1 0 320.481 3.236 10 0 DGAERO C[C@@H]1C[C@@H](NCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000404428542 400295169 /nfs/dbraw/zinc/29/51/69/400295169.db2.gz GFCKRWUEIBKBKE-ZBFHGGJFSA-N 1 0 301.459 3.286 10 0 DGAERO [NH3+][C@@H]1C[C@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)C12CCC2 ZINC000404530739 400295507 /nfs/dbraw/zinc/29/55/07/400295507.db2.gz WSYVCIHFZVGAID-NEPJUHHUSA-N 1 0 314.216 3.385 10 0 DGAERO CC(C)c1ccc([C@@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409423973 400301148 /nfs/dbraw/zinc/30/11/48/400301148.db2.gz WLFCDRDGDKHTRR-JKSUJKDBSA-N 1 0 304.434 3.390 10 0 DGAERO CCOCC[N@@H+]1CCN(CCc2ccccc2Cl)C[C@H]1CC ZINC000106116768 400325378 /nfs/dbraw/zinc/32/53/78/400325378.db2.gz KWXFNUIQMJUSMJ-QGZVFWFLSA-N 1 0 324.896 3.315 10 0 DGAERO CCC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105164081 400319947 /nfs/dbraw/zinc/31/99/47/400319947.db2.gz DEZVNWRFGYFBHE-CGZBRXJRSA-N 1 0 309.498 3.375 10 0 DGAERO C/C=C\C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000385019915 400260662 /nfs/dbraw/zinc/26/06/62/400260662.db2.gz OJGCRNGKEINEFA-PLNGDYQASA-N 1 0 300.196 3.132 10 0 DGAERO C[S@](=O)c1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000611336547 400380352 /nfs/dbraw/zinc/38/03/52/400380352.db2.gz QDMYZKTVBGPWAD-IERDGZPVSA-N 1 0 319.857 3.334 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ncccc1C)c1ccccc1 ZINC000611404720 400394450 /nfs/dbraw/zinc/39/44/50/400394450.db2.gz BWCORVCFEODRAW-KRWDZBQOSA-N 1 0 312.413 3.420 10 0 DGAERO C[C@@H]1CCC[N@H+](CCN2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000072312045 400381260 /nfs/dbraw/zinc/38/12/60/400381260.db2.gz KLTGLSCNSTWFQB-YLJYHZDGSA-N 1 0 316.489 3.164 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000037623259 400394894 /nfs/dbraw/zinc/39/48/94/400394894.db2.gz KZPYCGIKKLZBTF-UHFFFAOYSA-N 1 0 302.296 3.041 10 0 DGAERO C[NH+](C)Cc1ccc2c(c1)CC1(CC[NH+](C3CCC3)CC1)O2 ZINC000114727857 400389256 /nfs/dbraw/zinc/38/92/56/400389256.db2.gz MHWHXJXOYPUXKM-UHFFFAOYSA-N 1 0 300.446 3.070 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)C2CCCCCC2)ccc1F ZINC000115416078 400398296 /nfs/dbraw/zinc/39/82/96/400398296.db2.gz VIDLQDMHERSASW-UHFFFAOYSA-N 1 0 306.425 3.474 10 0 DGAERO CC(C)[C@H](C(=O)NC[C@H](C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000041111063 400402800 /nfs/dbraw/zinc/40/28/00/400402800.db2.gz KFZSQGPWTIKIDR-YOEHRIQHSA-N 1 0 306.425 3.166 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116180761 400407183 /nfs/dbraw/zinc/40/71/83/400407183.db2.gz NVWXNDVOQVREIV-RDBSUJKOSA-N 1 0 324.415 3.161 10 0 DGAERO CC(C)CO[C@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590717390 400421967 /nfs/dbraw/zinc/42/19/67/400421967.db2.gz HAHUVPJFXRYNPX-MSOLQXFVSA-N 1 0 324.509 3.162 10 0 DGAERO COc1cccc(C[NH2+]Cc2cccnc2C)c1OC(F)F ZINC000602278148 400433116 /nfs/dbraw/zinc/43/31/16/400433116.db2.gz PBAGOPNRMMCCBD-UHFFFAOYSA-N 1 0 308.328 3.290 10 0 DGAERO CC(C)[NH2+][C@H]1CCCN(C(=O)Cc2csc3ccccc23)C1 ZINC000590812484 400440130 /nfs/dbraw/zinc/44/01/30/400440130.db2.gz UMWAUPLDIGELKI-HNNXBMFYSA-N 1 0 316.470 3.433 10 0 DGAERO C(c1nnc(C2CC2)o1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590819422 400441607 /nfs/dbraw/zinc/44/16/07/400441607.db2.gz AVFKQRVCRVFACE-HNNXBMFYSA-N 1 0 318.465 3.035 10 0 DGAERO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000120611219 400446890 /nfs/dbraw/zinc/44/68/90/400446890.db2.gz RVGRUKWSOYIFJT-CYBMUJFWSA-N 1 0 318.367 3.240 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000590862163 400451097 /nfs/dbraw/zinc/45/10/97/400451097.db2.gz UGZGOVANADDBBK-IRXDYDNUSA-N 1 0 321.509 3.330 10 0 DGAERO Cc1ncccc1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000590881318 400453842 /nfs/dbraw/zinc/45/38/42/400453842.db2.gz KKOBLHRZNCJENC-IBGZPJMESA-N 1 0 312.413 3.238 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)N(C)Cc2ccc(Cl)cc2)CC1 ZINC000043168239 400457112 /nfs/dbraw/zinc/45/71/12/400457112.db2.gz DOQJDIOGAJJNRU-UHFFFAOYSA-N 1 0 323.868 3.354 10 0 DGAERO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000043588786 400472888 /nfs/dbraw/zinc/47/28/88/400472888.db2.gz QOMUESVQQKYDDL-AVGNSLFASA-N 1 0 306.372 3.004 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000126278909 400490504 /nfs/dbraw/zinc/49/05/04/400490504.db2.gz QHPPUQFQVWOEGO-KRWDZBQOSA-N 1 0 322.452 3.494 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1cccc(F)c1 ZINC000134607157 400580295 /nfs/dbraw/zinc/58/02/95/400580295.db2.gz LOXZVHFJTQXFLW-CQSZACIVSA-N 1 0 306.425 3.094 10 0 DGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000135696928 400588747 /nfs/dbraw/zinc/58/87/47/400588747.db2.gz GVKJLLXMYJFZMJ-ZIAGYGMSSA-N 1 0 316.214 3.371 10 0 DGAERO Clc1cc(Br)ccc1CNCc1cn[nH]c1 ZINC000136352840 400591587 /nfs/dbraw/zinc/59/15/87/400591587.db2.gz YBXCYVJWJASEGY-UHFFFAOYSA-N 1 0 300.587 3.115 10 0 DGAERO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc2ccccc21 ZINC000139378532 400605493 /nfs/dbraw/zinc/60/54/93/400605493.db2.gz BIAAPEKFPVZRSA-HOCLYGCPSA-N 1 0 311.429 3.294 10 0 DGAERO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000139488075 400607380 /nfs/dbraw/zinc/60/73/80/400607380.db2.gz BGTWCDXUJGLFMM-LSDHHAIUSA-N 1 0 309.841 3.185 10 0 DGAERO c1cncc([C@@H]([NH2+]CCCN2CCOCC2)C2CCCCC2)c1 ZINC000075741742 400610340 /nfs/dbraw/zinc/61/03/40/400610340.db2.gz OCBHMOGAECDFGH-IBGZPJMESA-N 1 0 317.477 3.015 10 0 DGAERO CC(C)[N@@H+](CCOc1ccc(Cl)cc1Cl)C[C@@H](C)O ZINC000592976762 400723489 /nfs/dbraw/zinc/72/34/89/400723489.db2.gz CBDWFZKXSTWNJE-LLVKDONJSA-N 1 0 306.233 3.463 10 0 DGAERO CC(C)[N@@H+](CCOc1ccc(Cl)cc1Cl)C[C@H](C)O ZINC000592976763 400723770 /nfs/dbraw/zinc/72/37/70/400723770.db2.gz CBDWFZKXSTWNJE-NSHDSACASA-N 1 0 306.233 3.463 10 0 DGAERO CC(C)OC(=O)CC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000158916808 400727784 /nfs/dbraw/zinc/72/77/84/400727784.db2.gz AKIVVTVASHTFJZ-NSHDSACASA-N 1 0 314.223 3.441 10 0 DGAERO Cc1ccc(C[C@H](C)N(C)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000159099640 400727956 /nfs/dbraw/zinc/72/79/56/400727956.db2.gz FWWMTSVYZXOGMG-JKSUJKDBSA-N 1 0 317.477 3.050 10 0 DGAERO [NH3+][C@H](c1ncc(Br)cc1Br)C1CCC1 ZINC000161484203 400740504 /nfs/dbraw/zinc/74/05/04/400740504.db2.gz XIQSIYXWPOQGKO-VIFPVBQESA-N 1 0 320.028 3.407 10 0 DGAERO CC(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000161992220 400743004 /nfs/dbraw/zinc/74/30/04/400743004.db2.gz KCOZVAQOPPAULU-ROUUACIJSA-N 1 0 306.494 3.439 10 0 DGAERO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C(C)(C)C)c(OC)c1 ZINC000163287211 400747712 /nfs/dbraw/zinc/74/77/12/400747712.db2.gz WOOQQLRRTAIMLP-QWHCGFSZSA-N 1 0 322.449 3.445 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@H](C)C(C)(C)C)ccc1S(C)(=O)=O ZINC000163300601 400747932 /nfs/dbraw/zinc/74/79/32/400747932.db2.gz PINMGDQYXZDPNG-NWDGAFQWSA-N 1 0 313.463 3.184 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)[nH]1 ZINC000603689696 400709748 /nfs/dbraw/zinc/70/97/48/400709748.db2.gz VWWBSOUHVNGSTQ-RDJZCZTQSA-N 1 0 317.477 3.358 10 0 DGAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307909 400817594 /nfs/dbraw/zinc/81/75/94/400817594.db2.gz HUUYRTANQJBIEI-AWEZNQCLSA-N 1 0 308.853 3.467 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(Cl)c2cccnc12 ZINC000054307547 400818014 /nfs/dbraw/zinc/81/80/14/400818014.db2.gz RKSIHYJSMJFEFH-NSHDSACASA-N 1 0 303.793 3.216 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000170814085 400775497 /nfs/dbraw/zinc/77/54/97/400775497.db2.gz ZWQRCXHDAOOIOP-QAPCUYQASA-N 1 0 315.461 3.270 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000170814096 400775676 /nfs/dbraw/zinc/77/56/76/400775676.db2.gz ZWQRCXHDAOOIOP-CRAIPNDOSA-N 1 0 315.461 3.270 10 0 DGAERO CCC[NH+]1CCC(N(C)C(=O)NC2CCC(CC)CC2)CC1 ZINC000171046495 400782410 /nfs/dbraw/zinc/78/24/10/400782410.db2.gz HCEMZXGVHMBLEJ-UHFFFAOYSA-N 1 0 309.498 3.471 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000171171500 400788520 /nfs/dbraw/zinc/78/85/20/400788520.db2.gz PJEXVXOWWDELPE-LSDHHAIUSA-N 1 0 319.449 3.247 10 0 DGAERO COC(C)(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000171596821 400803121 /nfs/dbraw/zinc/80/31/21/400803121.db2.gz RXHYTGALQNJLKE-KRWDZBQOSA-N 1 0 318.461 3.001 10 0 DGAERO CCCCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(C)C ZINC000181466889 400888430 /nfs/dbraw/zinc/88/84/30/400888430.db2.gz BZFNZLQHKQMEGB-DLBZAZTESA-N 1 0 324.509 3.207 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000619511144 400858888 /nfs/dbraw/zinc/85/88/88/400858888.db2.gz NXTDPUJEXSWEJS-MRXNPFEDSA-N 1 0 316.376 3.251 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]C[C@@H](O)CCC(C)C)c1ccccc1 ZINC000619511199 400859301 /nfs/dbraw/zinc/85/93/01/400859301.db2.gz YZHJRQIMGYAJSV-IRXDYDNUSA-N 1 0 321.461 3.314 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000174544454 400859527 /nfs/dbraw/zinc/85/95/27/400859527.db2.gz KWUPLXGORCVLMW-CYBMUJFWSA-N 1 0 311.429 3.034 10 0 DGAERO Brc1ccc(Cc2ccc3c(c2)CC[NH2+]CC3)cn1 ZINC000222080112 400954717 /nfs/dbraw/zinc/95/47/17/400954717.db2.gz FIAHOWSMYYXHKH-UHFFFAOYSA-N 1 0 317.230 3.123 10 0 DGAERO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000606658988 400941968 /nfs/dbraw/zinc/94/19/68/400941968.db2.gz HIMVCVFTWWLEJY-CVEARBPZSA-N 1 0 305.466 3.128 10 0 DGAERO CCOC(=O)c1nc(C[NH2+]CCCc2ccsc2)sc1C ZINC000222729718 400955508 /nfs/dbraw/zinc/95/55/08/400955508.db2.gz GAKWZZJKDUIPKJ-UHFFFAOYSA-N 1 0 324.471 3.412 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000606240039 400897059 /nfs/dbraw/zinc/89/70/59/400897059.db2.gz GXWFWFZDIXQIJS-DLBZAZTESA-N 1 0 302.462 3.479 10 0 DGAERO CCC[C@@H](C(=O)Nc1cc(F)c(SC)c(F)c1)[NH+](C)C ZINC000184345329 400903138 /nfs/dbraw/zinc/90/31/38/400903138.db2.gz BRZAEBBJNKAVBL-LBPRGKRZSA-N 1 0 302.390 3.356 10 0 DGAERO Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000056347456 400922216 /nfs/dbraw/zinc/92/22/16/400922216.db2.gz VKOBTKZEQGMQQT-SFHVURJKSA-N 1 0 311.429 3.289 10 0 DGAERO C[C@H]1C[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)CCS1 ZINC000246123420 401019451 /nfs/dbraw/zinc/01/94/51/401019451.db2.gz LKDSEHKRPSHCEY-WMLDXEAASA-N 1 0 317.454 3.017 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000246166521 401020871 /nfs/dbraw/zinc/02/08/71/401020871.db2.gz BTZNBIRWIUWZNP-RKVPGOIHSA-N 1 0 315.461 3.126 10 0 DGAERO CCC1=[N+]([O-])[C@](C)(c2ccc(F)cc2)[N+](O)=C1c1ccccc1 ZINC000225403594 400956621 /nfs/dbraw/zinc/95/66/21/400956621.db2.gz LWWOATDYVKGRQZ-SFHVURJKSA-N 1 0 314.360 3.156 10 0 DGAERO COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CC[NH2+]C3)cc21 ZINC000226061914 400960709 /nfs/dbraw/zinc/96/07/09/400960709.db2.gz RGVDQTXHXAFWIN-NSHDSACASA-N 1 0 311.360 3.455 10 0 DGAERO Clc1cc([C@@H]2CCC[NH2+]2)ccc1I ZINC000228754119 400964755 /nfs/dbraw/zinc/96/47/55/400964755.db2.gz LENJEYXHPZKWRA-JTQLQIEISA-N 1 0 307.562 3.369 10 0 DGAERO [NH3+]C[C@H]1C[C@H]1c1ccc(Br)c(Br)c1 ZINC000236211671 400978338 /nfs/dbraw/zinc/97/83/38/400978338.db2.gz DBVJHZLYECSIEG-SFYZADRCSA-N 1 0 305.013 3.274 10 0 DGAERO CC[C@H]1CN(Cc2ccncc2Br)CCS1 ZINC000625198211 401057221 /nfs/dbraw/zinc/05/72/21/401057221.db2.gz RLCXIHJJQKTFSW-NSHDSACASA-N 1 0 301.253 3.172 10 0 DGAERO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1cccnc1 ZINC000058543977 401058129 /nfs/dbraw/zinc/05/81/29/401058129.db2.gz JEOHKKFGOWNJAA-AEFFLSMTSA-N 1 0 322.412 3.230 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000248441545 401070853 /nfs/dbraw/zinc/07/08/53/401070853.db2.gz VCRWEIVXWORRFH-RYQLBKOJSA-N 1 0 321.509 3.329 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000246923469 401040399 /nfs/dbraw/zinc/04/03/99/401040399.db2.gz IPLNJFYRFRWCTD-AYOQOUSVSA-N 1 0 314.473 3.372 10 0 DGAERO C[C@@H](CCc1ccccc1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247179067 401047409 /nfs/dbraw/zinc/04/74/09/401047409.db2.gz BGIATNVRNICHKZ-ICSRJNTNSA-N 1 0 316.489 3.194 10 0 DGAERO CC1(C)C[C@H]([NH2+]Cc2ccncc2Br)C(C)(C)O1 ZINC000625332059 401101992 /nfs/dbraw/zinc/10/19/92/401101992.db2.gz SNIKYEXSIMVVHD-LBPRGKRZSA-N 1 0 313.239 3.280 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000255428834 401105107 /nfs/dbraw/zinc/10/51/07/401105107.db2.gz VZDSVUAXPBIZTC-MUMAZLPKSA-N 1 0 310.445 3.082 10 0 DGAERO Cc1cccc(CNC(=O)C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000607752684 401117401 /nfs/dbraw/zinc/11/74/01/401117401.db2.gz HLQSIXKGGZGORJ-UHFFFAOYSA-N 1 0 300.446 3.267 10 0 DGAERO CSc1cc(C)ccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262472752 401117671 /nfs/dbraw/zinc/11/76/71/401117671.db2.gz OIWSRENKIARTTO-IMJJTQAJSA-N 1 0 318.486 3.254 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C(F)(F)F ZINC000358221571 286001469 /nfs/dbraw/zinc/00/14/69/286001469.db2.gz MLYOXZJTMSKLJS-ZJUUUORDSA-N 1 0 314.134 3.494 10 0 DGAERO c1cc(C[NH2+]CCCc2ccccn2)n(CCc2ccccc2)n1 ZINC000621342105 401175361 /nfs/dbraw/zinc/17/53/61/401175361.db2.gz ITKLSKCOWLWAFA-UHFFFAOYSA-N 1 0 320.440 3.243 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777003 401213475 /nfs/dbraw/zinc/21/34/75/401213475.db2.gz WKUUPOFAFQAGOY-MSOLQXFVSA-N 1 0 313.470 3.401 10 0 DGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000625826207 401228789 /nfs/dbraw/zinc/22/87/89/401228789.db2.gz IQZGPRVOCIQYLV-WDEREUQCSA-N 1 0 302.205 3.255 10 0 DGAERO c1csc(N2CCC([NH2+][C@@H](c3cccnc3)C3CC3)CC2)n1 ZINC000358363233 286042336 /nfs/dbraw/zinc/04/23/36/286042336.db2.gz DGOKKTGNWOBWBS-MRXNPFEDSA-N 1 0 314.458 3.248 10 0 DGAERO c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000358387274 286048011 /nfs/dbraw/zinc/04/80/11/286048011.db2.gz RTXTXHQAUDLTPQ-IBGZPJMESA-N 1 0 323.444 3.027 10 0 DGAERO C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000630579983 401291599 /nfs/dbraw/zinc/29/15/99/401291599.db2.gz ABVRJEHRNCTBET-IUCAKERBSA-N 1 0 302.205 3.052 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000630582131 401291689 /nfs/dbraw/zinc/29/16/89/401291689.db2.gz QTUZXSJSIFWZJX-BDAKNGLRSA-N 1 0 302.205 3.052 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)C1 ZINC000621742086 401292454 /nfs/dbraw/zinc/29/24/54/401292454.db2.gz ACJPNLNGYBAKHX-RDTXWAMCSA-N 1 0 309.413 3.020 10 0 DGAERO CCc1ccc(C(=O)CCC(=O)NCC[N@@H+](C)[C@H](C)CC)cc1 ZINC000066138361 401292989 /nfs/dbraw/zinc/29/29/89/401292989.db2.gz DCVQLJCKYFSESQ-OAHLLOKOSA-N 1 0 318.461 3.058 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2)[C@@H](C)O)c2ccccc21 ZINC000621764667 401297998 /nfs/dbraw/zinc/29/79/98/401297998.db2.gz KPKAFXPDUPOVQL-WNYOCNMUSA-N 1 0 324.424 3.196 10 0 DGAERO CC(=O)c1cccc(NC(=O)CN2C[C@@H]3CCCC[C@@]32C)c1 ZINC000626103748 401300576 /nfs/dbraw/zinc/30/05/76/401300576.db2.gz OCHAKAFXUSKBOS-YJBOKZPZSA-N 1 0 300.402 3.092 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(F)cc1Cl ZINC000634963560 401390557 /nfs/dbraw/zinc/39/05/57/401390557.db2.gz WTOBZTUMZYGMPN-PWSUYJOCSA-N 1 0 319.829 3.097 10 0 DGAERO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n(CC2CCC2)n1 ZINC000631106265 401395755 /nfs/dbraw/zinc/39/57/55/401395755.db2.gz MXWYHDDPOVTAKA-KSZLIROESA-N 1 0 315.461 3.121 10 0 DGAERO Brc1ccccc1[C@@H]1CCCN1CC12CC(C1)C[NH2+]2 ZINC000634994785 401397658 /nfs/dbraw/zinc/39/76/58/401397658.db2.gz MSJOITBMVXLHPB-NRAUKZCXSA-N 1 0 321.262 3.338 10 0 DGAERO c1ccc(N2CCC([NH2+]CC[C@H]3CNc4ccccc43)CC2)nc1 ZINC000635024275 401406333 /nfs/dbraw/zinc/40/63/33/401406333.db2.gz VQWLOYVIYLQLEA-INIZCTEOSA-N 1 0 322.456 3.239 10 0 DGAERO Cc1c[nH]c(CN[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000631205400 401425608 /nfs/dbraw/zinc/42/56/08/401425608.db2.gz OMOVALUFDZLVJP-SFHVURJKSA-N 1 0 312.461 3.253 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c2c(c1)COCC2 ZINC000631243405 401435541 /nfs/dbraw/zinc/43/55/41/401435541.db2.gz GJAUNLFMDJVQHE-VDZJLULYSA-N 1 0 315.457 3.444 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c2c(c1)COCC2 ZINC000631243403 401435713 /nfs/dbraw/zinc/43/57/13/401435713.db2.gz GJAUNLFMDJVQHE-KVSKMBFKSA-N 1 0 315.457 3.444 10 0 DGAERO c1cn(-c2csc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)c2)cn1 ZINC000631254158 401438648 /nfs/dbraw/zinc/43/86/48/401438648.db2.gz JVWBVRDRUWJXMD-SJORKVTESA-N 1 0 317.458 3.371 10 0 DGAERO c1cn(-c2ccccc2)c(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)n1 ZINC000631255003 401439059 /nfs/dbraw/zinc/43/90/59/401439059.db2.gz OODHLFJUYUJBSC-MJGOQNOKSA-N 1 0 311.429 3.310 10 0 DGAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC[C@H](O)C(F)F ZINC000631696816 401538097 /nfs/dbraw/zinc/53/80/97/401538097.db2.gz IBWHLESPWQCYEQ-WPRPVWTQSA-N 1 0 306.422 3.416 10 0 DGAERO c1cnc2c(c1)[C@@H]([NH2+][C@@H]1CCOC3(CCSCC3)C1)CCC2 ZINC000631602093 401511359 /nfs/dbraw/zinc/51/13/59/401511359.db2.gz XGVXZRMZFNLVPX-PBHICJAKSA-N 1 0 318.486 3.493 10 0 DGAERO c1ccc2c(c1)O[C@H](C[NH2+][C@H]1[C@@H]3CCO[C@@H]3C13CCC3)CS2 ZINC000631640548 401521419 /nfs/dbraw/zinc/52/14/19/401521419.db2.gz JAWWGMIDPFBCQN-OQUILHJVSA-N 1 0 317.454 3.087 10 0 DGAERO c1ccc2c(CC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)ccnc2c1 ZINC000631646380 401522370 /nfs/dbraw/zinc/52/23/70/401522370.db2.gz IAZTXORDLXZHRD-UHOSZYNNSA-N 1 0 308.425 3.325 10 0 DGAERO OCC[N@H+](CCOc1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC000358453747 286066862 /nfs/dbraw/zinc/06/68/62/286066862.db2.gz NHRBVAAZTQSTPS-IBGZPJMESA-N 1 0 315.388 3.186 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@H]1[C@@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000631652221 401524836 /nfs/dbraw/zinc/52/48/36/401524836.db2.gz OWARQGQVQIHWTD-VJANTYMQSA-N 1 0 313.441 3.065 10 0 DGAERO c1cn2c(n1)[C@H](N[C@@H]1CCCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000631679024 401532637 /nfs/dbraw/zinc/53/26/37/401532637.db2.gz HQPKAOZUFRAOKU-RTBURBONSA-N 1 0 324.472 3.362 10 0 DGAERO CSc1ccccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358435965 286062271 /nfs/dbraw/zinc/06/22/71/286062271.db2.gz LNCFMXSOPMUOSD-UHFFFAOYSA-N 1 0 305.447 3.182 10 0 DGAERO Brc1ccccc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886601 401563589 /nfs/dbraw/zinc/56/35/89/401563589.db2.gz KUBZLAJQYOYJQG-SWLSCSKDSA-N 1 0 309.251 3.023 10 0 DGAERO O[C@H](CC[NH2+]Cc1csc(C(F)(F)F)c1)C(F)(F)F ZINC000628278820 401566230 /nfs/dbraw/zinc/56/62/30/401566230.db2.gz IWEFVEFUOGMLOI-SSDOTTSWSA-N 1 0 307.259 3.170 10 0 DGAERO c1nn2c(c1C[NH2+]Cc1ccnc(-c3ccccc3)c1)CCC2 ZINC000623785138 401579704 /nfs/dbraw/zinc/57/97/04/401579704.db2.gz YUFAHQQBSDQCOC-UHFFFAOYSA-N 1 0 304.397 3.181 10 0 DGAERO c1cc(N2CCCC2)ncc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000628422585 401595291 /nfs/dbraw/zinc/59/52/91/401595291.db2.gz AGTYTWXFGPOABC-CVEARBPZSA-N 1 0 303.475 3.152 10 0 DGAERO c1cc(CNCc2ccccc2C[NH+]2CCCCC2)sn1 ZINC000623597188 401552885 /nfs/dbraw/zinc/55/28/85/401552885.db2.gz AJQBJMMXRJRPIG-UHFFFAOYSA-N 1 0 301.459 3.419 10 0 DGAERO O=C(c1cc(Cl)sc1Cl)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632875750 401634213 /nfs/dbraw/zinc/63/42/13/401634213.db2.gz NIBMWWRTOPSERY-WPRPVWTQSA-N 1 0 319.257 3.269 10 0 DGAERO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cncc(Br)c1 ZINC000624224213 401641265 /nfs/dbraw/zinc/64/12/65/401641265.db2.gz QASYIJCANOPUEU-CUOATXAZSA-N 1 0 311.223 3.062 10 0 DGAERO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCCN2CCOCC2)o1 ZINC000358496784 286077815 /nfs/dbraw/zinc/07/78/15/286077815.db2.gz WMPFVVBVNIBGKW-SJLPKXTDSA-N 1 0 320.477 3.337 10 0 DGAERO CCOCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178164144 286099498 /nfs/dbraw/zinc/09/94/98/286099498.db2.gz JYSDTIYXPVKUAG-ZDUSSCGKSA-N 1 0 314.223 3.289 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000358633963 286112910 /nfs/dbraw/zinc/11/29/10/286112910.db2.gz FBDNAJAWEZWQPZ-UHFFFAOYSA-N 1 0 317.477 3.292 10 0 DGAERO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC2(CC2)c2ccccc21 ZINC000358876726 286175694 /nfs/dbraw/zinc/17/56/94/286175694.db2.gz LWZHAOLPSFNOAK-SFHVURJKSA-N 1 0 310.441 3.472 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](OC)c1ccc(Cl)cc1 ZINC000359353492 286291184 /nfs/dbraw/zinc/29/11/84/286291184.db2.gz WRYHVWBRXDUNOI-JKSUJKDBSA-N 1 0 324.852 3.018 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2csc(C(C)(C)C)n2)CC1 ZINC000359474312 286315984 /nfs/dbraw/zinc/31/59/84/286315984.db2.gz RRKIERCSPMQLEY-UHFFFAOYSA-N 1 0 323.506 3.292 10 0 DGAERO COc1ccc(F)cc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000187674092 286321980 /nfs/dbraw/zinc/32/19/80/286321980.db2.gz PCDBUCBTJGLHNG-CYBMUJFWSA-N 1 0 323.412 3.220 10 0 DGAERO CCC1(C)CCC([NH2+]Cc2cccc(N3CCOCC3)n2)CC1 ZINC000360005971 286406875 /nfs/dbraw/zinc/40/68/75/286406875.db2.gz ICYPJTFWZFDAQU-UHFFFAOYSA-N 1 0 317.477 3.367 10 0 DGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)cc1 ZINC000360328032 286462929 /nfs/dbraw/zinc/46/29/29/286462929.db2.gz CXPRADUKHBZVFT-OJFPTFHUSA-N 1 0 319.445 3.043 10 0 DGAERO COc1ccccc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185511143 286506239 /nfs/dbraw/zinc/50/62/39/286506239.db2.gz QJENIFSQJOMPDI-CQSZACIVSA-N 1 0 305.422 3.081 10 0 DGAERO Cc1cc(Br)cnc1NCc1ccc2c(c1)C[NH2+]C2 ZINC000097829751 545865731 /nfs/dbraw/zinc/86/57/31/545865731.db2.gz NJIYOZAGGWMTEG-UHFFFAOYSA-N 1 0 318.218 3.368 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000364459001 287029415 /nfs/dbraw/zinc/02/94/15/287029415.db2.gz PEAXHQYIIVLNIE-XLIONFOSSA-N 1 0 316.489 3.446 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000162331225 287035159 /nfs/dbraw/zinc/03/51/59/287035159.db2.gz OAPXWLODSWKNLV-VHSXEESVSA-N 1 0 324.273 3.325 10 0 DGAERO c1c(CC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)nc2ccccn12 ZINC000364660432 287050012 /nfs/dbraw/zinc/05/00/12/287050012.db2.gz SCEBCDKGVCKDQQ-KBAYOESNSA-N 1 0 313.445 3.062 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)C1CCCC1 ZINC000178462654 287051072 /nfs/dbraw/zinc/05/10/72/287051072.db2.gz UAYFHUKJXIYBDC-OLZOCXBDSA-N 1 0 310.463 3.287 10 0 DGAERO Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000364823167 287064982 /nfs/dbraw/zinc/06/49/82/287064982.db2.gz ZNXVBSPCFXHYHV-KRWDZBQOSA-N 1 0 324.359 3.020 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000171178221 164621369 /nfs/dbraw/zinc/62/13/69/164621369.db2.gz AZEFUQPDHRJEMH-KGLIPLIRSA-N 1 0 307.438 3.246 10 0 DGAERO C[C@@H](CC1CC1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171852501 164640851 /nfs/dbraw/zinc/64/08/51/164640851.db2.gz IXKVHOYVTRBFHW-AWEZNQCLSA-N 1 0 307.482 3.129 10 0 DGAERO CSCC[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364890772 287072212 /nfs/dbraw/zinc/07/22/12/287072212.db2.gz BMGDJKPMTQXSIU-UHFFFAOYSA-N 1 0 300.855 3.189 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(F)c(CSC)c1 ZINC000174228649 164722117 /nfs/dbraw/zinc/72/21/17/164722117.db2.gz AJHNUCLJFLTHPM-GFCCVEGCSA-N 1 0 312.454 3.149 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000174306610 164724369 /nfs/dbraw/zinc/72/43/69/164724369.db2.gz PGTRQIWTJVQHFL-GOEBONIOSA-N 1 0 314.433 3.214 10 0 DGAERO CC1(C)CCC[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000174980704 164745414 /nfs/dbraw/zinc/74/54/14/164745414.db2.gz OXJAEDLUUFCXKV-MRXNPFEDSA-N 1 0 307.482 3.083 10 0 DGAERO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)C1CCC1 ZINC000178527242 164841556 /nfs/dbraw/zinc/84/15/56/164841556.db2.gz JCIUILXMBGOBBV-OAHLLOKOSA-N 1 0 300.446 3.317 10 0 DGAERO CCCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000178901873 164849300 /nfs/dbraw/zinc/84/93/00/164849300.db2.gz OVJSNBNWFRSJFU-ARFHVFGLSA-N 1 0 306.837 3.044 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C)cn3)CC2)C1(C)C ZINC000181804730 164920422 /nfs/dbraw/zinc/92/04/22/164920422.db2.gz LUBPCUYHLAPMTD-DLBZAZTESA-N 1 0 317.477 3.152 10 0 DGAERO COCCCN(C)CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182098813 164929005 /nfs/dbraw/zinc/92/90/05/164929005.db2.gz GYACRSKJIMDHEH-QGZVFWFLSA-N 1 0 314.420 3.220 10 0 DGAERO O[C@@H]1c2ccccc2C[C@H]1[NH+]1CCC(OCC2CCCC2)CC1 ZINC000182835759 164944960 /nfs/dbraw/zinc/94/49/60/164944960.db2.gz PZAULSLIHGCYPF-WOJBJXKFSA-N 1 0 315.457 3.316 10 0 DGAERO CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@@H]2c3ccccc3NC2=O)C1(C)C ZINC000185239240 164996740 /nfs/dbraw/zinc/99/67/40/164996740.db2.gz SIOOYPCPGFTDJH-DJIMGWMZSA-N 1 0 316.445 3.294 10 0 DGAERO CC[C@H]1CCCC[C@@H]1OCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000185281083 164998497 /nfs/dbraw/zinc/99/84/97/164998497.db2.gz QIJLEAMZYLVXCI-IKJBURDNSA-N 1 0 324.509 3.208 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000185332780 165000542 /nfs/dbraw/zinc/00/05/42/165000542.db2.gz KIXVAJITOXMLBO-HNNXBMFYSA-N 1 0 306.381 3.320 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000185323553 165000609 /nfs/dbraw/zinc/00/06/09/165000609.db2.gz UHYMSXZHOLYOSV-CQSZACIVSA-N 1 0 324.371 3.459 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000185330119 165000810 /nfs/dbraw/zinc/00/08/10/165000810.db2.gz WBEHKMWQLZIGIH-MRXNPFEDSA-N 1 0 306.381 3.320 10 0 DGAERO CCOCCO[C@H]1CCN(c2c(C)c[nH+]c3c(C)cccc32)C1 ZINC000185359260 165002078 /nfs/dbraw/zinc/00/20/78/165002078.db2.gz RDSFWIHZHQCVNV-INIZCTEOSA-N 1 0 314.429 3.483 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(F)c(Cl)c2F)[C@@H](C)C1 ZINC000186142279 165029408 /nfs/dbraw/zinc/02/94/08/165029408.db2.gz GKSDSXGTRFCPSV-CABZTGNLSA-N 1 0 316.779 3.077 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C12CCOCC2 ZINC000186335501 165039282 /nfs/dbraw/zinc/03/92/82/165039282.db2.gz HCBDICLAUBCRJM-WMHOYKDJSA-N 1 0 301.430 3.264 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C12CCOCC2 ZINC000186335535 165039368 /nfs/dbraw/zinc/03/93/68/165039368.db2.gz HCBDICLAUBCRJM-OKMWKSJFSA-N 1 0 301.430 3.264 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)C12CCOCC2 ZINC000186389268 165041793 /nfs/dbraw/zinc/04/17/93/165041793.db2.gz ROWIPJQMSHYFDA-CVEARBPZSA-N 1 0 311.372 3.029 10 0 DGAERO CC[N@@H+](Cc1ccc(C)nc1C)C[C@H]1COc2ccccc2O1 ZINC000186467245 165044939 /nfs/dbraw/zinc/04/49/39/165044939.db2.gz LAGUWEMBMXSQKV-KRWDZBQOSA-N 1 0 312.413 3.360 10 0 DGAERO [NH3+]Cc1ccc(C(=O)NCc2cccc(-c3ccccn3)c2)cc1 ZINC000186474534 165045014 /nfs/dbraw/zinc/04/50/14/165045014.db2.gz SPERJNDVCIMWNQ-UHFFFAOYSA-N 1 0 317.392 3.137 10 0 DGAERO O=C(c1cccc(C(F)(F)F)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186527991 165048728 /nfs/dbraw/zinc/04/87/28/165048728.db2.gz DIPAXPIZLRUOAD-CYBMUJFWSA-N 1 0 312.335 3.062 10 0 DGAERO CSCCCCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000186782585 165058982 /nfs/dbraw/zinc/05/89/82/165058982.db2.gz PCFQSWQBCAMMBH-UHFFFAOYSA-N 1 0 307.507 3.169 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)c1ccc(F)cc1F ZINC000187142286 165079092 /nfs/dbraw/zinc/07/90/92/165079092.db2.gz MDJVNCCHYNRWSH-CABCVRRESA-N 1 0 322.399 3.096 10 0 DGAERO C[C@H](C[NH2+]CC(=O)N(C)Cc1ccccc1)Cc1ccccc1 ZINC000187226721 165080558 /nfs/dbraw/zinc/08/05/58/165080558.db2.gz MEQCSTKATYGUCQ-KRWDZBQOSA-N 1 0 310.441 3.113 10 0 DGAERO CC(C)[C@](C)(O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000187245126 165083320 /nfs/dbraw/zinc/08/33/20/165083320.db2.gz ABGMOZNVERCYNX-GOSISDBHSA-N 1 0 301.434 3.149 10 0 DGAERO CC[C@]1(CO)CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000187581349 165095240 /nfs/dbraw/zinc/09/52/40/165095240.db2.gz MRXJRYPIHULDNZ-SFHVURJKSA-N 1 0 318.392 3.465 10 0 DGAERO Cc1nccnc1[C@@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000187761009 165103167 /nfs/dbraw/zinc/10/31/67/165103167.db2.gz CLUHNKGVXSINRQ-QGZVFWFLSA-N 1 0 324.472 3.143 10 0 DGAERO Cc1coc(-c2cc(NC(=O)c3coc(C[NH3+])c3)ccc2C)n1 ZINC000187997666 165108493 /nfs/dbraw/zinc/10/84/93/165108493.db2.gz PYWIYKMWPMZNMX-UHFFFAOYSA-N 1 0 311.341 3.262 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cccc2ccccc21 ZINC000188722896 165134165 /nfs/dbraw/zinc/13/41/65/165134165.db2.gz VIFACBCTUYDWDW-UHFFFAOYSA-N 1 0 302.377 3.373 10 0 DGAERO CC(C)c1n[nH]cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000189087173 165148099 /nfs/dbraw/zinc/14/80/99/165148099.db2.gz IVYFRDKSBYGPAZ-INIZCTEOSA-N 1 0 320.481 3.019 10 0 DGAERO CC(C)c1n[nH]cc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000189124864 165149870 /nfs/dbraw/zinc/14/98/70/165149870.db2.gz XYKXFCQSRUNXGF-HUUCEWRRSA-N 1 0 320.481 3.021 10 0 DGAERO CN1CC[C@H]([NH2+]Cc2ccc(F)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189172683 165152150 /nfs/dbraw/zinc/15/21/50/165152150.db2.gz FGOWXCNPQKJPLV-RDJZCZTQSA-N 1 0 321.346 3.034 10 0 DGAERO C[C@@H](NC(=O)NCc1ccc(C2CC2)cc1)C(C)(C)C[NH+](C)C ZINC000189510931 165165135 /nfs/dbraw/zinc/16/51/35/165165135.db2.gz GBRJHABYDJWFCD-CQSZACIVSA-N 1 0 317.477 3.340 10 0 DGAERO COCc1cccc(C[NH+]2CCC(Nc3nccs3)CC2)c1 ZINC000189952915 165183977 /nfs/dbraw/zinc/18/39/77/165183977.db2.gz CILFFXWYNMHBIS-UHFFFAOYSA-N 1 0 317.458 3.366 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000190028194 165185827 /nfs/dbraw/zinc/18/58/27/165185827.db2.gz CLGDQDCFZZMSSD-UHFFFAOYSA-N 1 0 309.454 3.030 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000190444557 165204707 /nfs/dbraw/zinc/20/47/07/165204707.db2.gz GESZRIHWPCBFCC-UHFFFAOYSA-N 1 0 315.461 3.236 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000190462040 165204804 /nfs/dbraw/zinc/20/48/04/165204804.db2.gz YTHZDHLFGHOARH-STQMWFEESA-N 1 0 303.431 3.483 10 0 DGAERO Fc1cc(-c2ccncc2)ccc1C[NH2+]CCOCC(F)F ZINC000190891988 165219230 /nfs/dbraw/zinc/21/92/30/165219230.db2.gz AWBMJQDEMCZFAK-UHFFFAOYSA-N 1 0 310.319 3.259 10 0 DGAERO CC(=O)Nc1nc(CN2CC3(CCCC3)OC(C)(C)C2)cs1 ZINC000190953112 165221760 /nfs/dbraw/zinc/22/17/60/165221760.db2.gz XOEGUHRYXLKSPZ-UHFFFAOYSA-N 1 0 323.462 3.025 10 0 DGAERO CCC[NH+]1CCC(C[NH2+]Cc2ccc(Br)o2)CC1 ZINC000190955123 165221821 /nfs/dbraw/zinc/22/18/21/165221821.db2.gz ZGKMDXNMIIGZEY-UHFFFAOYSA-N 1 0 315.255 3.254 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000191596755 165260271 /nfs/dbraw/zinc/26/02/71/165260271.db2.gz RNMXBHDKDQUVIN-MRXNPFEDSA-N 1 0 315.461 3.047 10 0 DGAERO O=C1[C@@H]([NH2+]CC2CCCCC2)CCN1Cc1ccc(F)cc1 ZINC000191763638 165268785 /nfs/dbraw/zinc/26/87/85/165268785.db2.gz ZJTFOZHFIVSCKB-KRWDZBQOSA-N 1 0 304.409 3.097 10 0 DGAERO Cc1c[nH+]ccc1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000192498849 165294966 /nfs/dbraw/zinc/29/49/66/165294966.db2.gz UAUJNHTYRDNPGF-GASCZTMLSA-N 1 0 312.417 3.011 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C(C)C)C2CC2)cc1 ZINC000194138225 165337359 /nfs/dbraw/zinc/33/73/59/165337359.db2.gz YCBGBOLNSDOHBB-SFHVURJKSA-N 1 0 316.445 3.232 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C(C)C)C2CC2)cc1 ZINC000194138212 165337635 /nfs/dbraw/zinc/33/76/35/165337635.db2.gz YCBGBOLNSDOHBB-GOSISDBHSA-N 1 0 316.445 3.232 10 0 DGAERO Cc1ccccc1CNC(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194513862 165347900 /nfs/dbraw/zinc/34/79/00/165347900.db2.gz OUIYZFBHWQRPII-HNNXBMFYSA-N 1 0 323.440 3.057 10 0 DGAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N(C)Cc1ccccc1 ZINC000194518450 165348853 /nfs/dbraw/zinc/34/88/53/165348853.db2.gz BAZSRTFXLPJMLG-HNNXBMFYSA-N 1 0 323.440 3.091 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000194504502 165349076 /nfs/dbraw/zinc/34/90/76/165349076.db2.gz PCLUTMJHPUJAMZ-HZPDHXFCSA-N 1 0 318.848 3.140 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000194639563 165351401 /nfs/dbraw/zinc/35/14/01/165351401.db2.gz BNOYWXZDKLEKST-UHFFFAOYSA-N 1 0 323.412 3.171 10 0 DGAERO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195330696 165365381 /nfs/dbraw/zinc/36/53/81/165365381.db2.gz ONJJSBKBPVSHRL-OAHLLOKOSA-N 1 0 323.506 3.280 10 0 DGAERO COC(=O)c1oc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1C ZINC000195340751 165367406 /nfs/dbraw/zinc/36/74/06/165367406.db2.gz QDAYZLZQVVZICA-GFCCVEGCSA-N 1 0 320.414 3.211 10 0 DGAERO Fc1ccc(-c2nc(CN3CCC[N@@H+](C4CC4)CC3)co2)cc1 ZINC000195338821 165367878 /nfs/dbraw/zinc/36/78/78/165367878.db2.gz SYAFNDSFGXFULN-UHFFFAOYSA-N 1 0 315.392 3.151 10 0 DGAERO CCc1csc([C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 ZINC000195384405 165369317 /nfs/dbraw/zinc/36/93/17/165369317.db2.gz YBHSZSZKHOTWIC-LBPRGKRZSA-N 1 0 318.446 3.346 10 0 DGAERO CCn1cc(C2CC[NH+](CCc3ccc(OC)cc3)CC2)cn1 ZINC000195499753 165372465 /nfs/dbraw/zinc/37/24/65/165372465.db2.gz RFUZUOKHJGMMBP-UHFFFAOYSA-N 1 0 313.445 3.334 10 0 DGAERO CCN(CC[NH2+]Cc1ccc(Br)c(F)c1)C1CC1 ZINC000217838785 165378456 /nfs/dbraw/zinc/37/84/56/165378456.db2.gz CFEFJIAAKUDXOT-UHFFFAOYSA-N 1 0 315.230 3.162 10 0 DGAERO OCC[C@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000227572563 165387031 /nfs/dbraw/zinc/38/70/31/165387031.db2.gz RYEJXTARAWTCCR-GFCCVEGCSA-N 1 0 306.793 3.199 10 0 DGAERO C[C@H](CC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)[S@@](C)=O ZINC000229789565 165392495 /nfs/dbraw/zinc/39/24/95/165392495.db2.gz FINZFUOCGITZDI-YDZGXFTCSA-N 1 0 304.459 3.292 10 0 DGAERO C[C@@H]([NH2+]Cc1c(F)ccc(Br)c1F)[C@H]1CCCO1 ZINC000230306727 165394153 /nfs/dbraw/zinc/39/41/53/165394153.db2.gz IVSWFRWGKALXJL-PRHODGIISA-N 1 0 320.177 3.384 10 0 DGAERO c1ncn(CC[N@@H+]2CCC[C@@H]2C[C@H]2CCCc3ccccc32)n1 ZINC000365226309 287111324 /nfs/dbraw/zinc/11/13/24/287111324.db2.gz ICXICMYKSXXJJG-QZTJIDSGSA-N 1 0 310.445 3.253 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)c1cccs1 ZINC000246462799 165521118 /nfs/dbraw/zinc/52/11/18/165521118.db2.gz VDPMGFCNWYKFCS-MJBXVCDLSA-N 1 0 307.463 3.077 10 0 DGAERO CSC[C@](C)(O)C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000248170564 165610976 /nfs/dbraw/zinc/61/09/76/165610976.db2.gz URJSNYNCAIGLEV-BFQNTYOBSA-N 1 0 324.515 3.492 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@H]2CCCC[C@@H]12 ZINC000248919778 165659876 /nfs/dbraw/zinc/65/98/76/165659876.db2.gz DWGKUNQNAIMXKK-PVUWLOKVSA-N 1 0 300.406 3.086 10 0 DGAERO C[C@@H]1CCCN(Cc2ccc(Br)cc2F)[C@H]1C[NH3+] ZINC000251572002 165691023 /nfs/dbraw/zinc/69/10/23/165691023.db2.gz ASAMKTSKYKATQH-YGRLFVJLSA-N 1 0 315.230 3.147 10 0 DGAERO C[C@H]1CCN(Cc2cc(Br)cs2)[C@H](C[NH3+])C1 ZINC000261534795 165713898 /nfs/dbraw/zinc/71/38/98/165713898.db2.gz UGKGGPHCZCKDTA-ONGXEEELSA-N 1 0 303.269 3.070 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000261633160 165725811 /nfs/dbraw/zinc/72/58/11/165725811.db2.gz BXEJGLRCJVEUCP-CZUORRHYSA-N 1 0 311.385 3.187 10 0 DGAERO Cc1sc2nc(C)nc(N3CC[C@H](C)C[C@H]3C[NH3+])c2c1C ZINC000261736425 165742789 /nfs/dbraw/zinc/74/27/89/165742789.db2.gz RSKYBKJVESVIOA-ZANVPECISA-N 1 0 304.463 3.180 10 0 DGAERO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261774449 165747283 /nfs/dbraw/zinc/74/72/83/165747283.db2.gz FUOUUWJTJHXTGA-SWLSCSKDSA-N 1 0 324.852 3.002 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cc2ccccc2s1 ZINC000261775307 165747819 /nfs/dbraw/zinc/74/78/19/165747819.db2.gz OTFKECUYWMJUQZ-MRVWCRGKSA-N 1 0 302.443 3.454 10 0 DGAERO C[NH2+][C@@H](C)Cc1noc(-c2ncoc2-c2ccccc2Cl)n1 ZINC000261866103 165758793 /nfs/dbraw/zinc/75/87/93/165758793.db2.gz UUPPJYLHEFJNLR-VIFPVBQESA-N 1 0 318.764 3.195 10 0 DGAERO [NH3+]Cc1ccc(-c2noc(C[C@H]3OCCc4ccccc43)n2)cc1 ZINC000262084087 165784678 /nfs/dbraw/zinc/78/46/78/165784678.db2.gz UDBAGUPPWHHXKH-QGZVFWFLSA-N 1 0 321.380 3.052 10 0 DGAERO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(Cl)s1 ZINC000262179101 165792147 /nfs/dbraw/zinc/79/21/47/165792147.db2.gz YYOHXEFNHQAGOF-MWLCHTKSSA-N 1 0 300.855 3.091 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1F ZINC000262597896 165811860 /nfs/dbraw/zinc/81/18/60/165811860.db2.gz XHPROYXNEYKQIL-QIIPPGSGSA-N 1 0 304.409 3.091 10 0 DGAERO CCOCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000365530354 287142826 /nfs/dbraw/zinc/14/28/26/287142826.db2.gz YZAJDTODQUSFNM-CQSZACIVSA-N 1 0 319.380 3.092 10 0 DGAERO Cc1[nH]c2ccc(CNC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])cc2c1C ZINC000263296042 165849895 /nfs/dbraw/zinc/84/98/95/165849895.db2.gz WIFSPMREFAIPJG-QFBILLFUSA-N 1 0 313.445 3.309 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)o2)n[nH]1 ZINC000366028071 287202083 /nfs/dbraw/zinc/20/20/83/287202083.db2.gz SZQMFTZSZRWLFQ-KBRIMQKVSA-N 1 0 313.401 3.107 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)cc1Cl ZINC000247012256 287229177 /nfs/dbraw/zinc/22/91/77/287229177.db2.gz RKFFSCPESDGCAM-OLZOCXBDSA-N 1 0 310.800 3.178 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccc2nc1C ZINC000246642813 432152382 /nfs/dbraw/zinc/15/23/82/432152382.db2.gz VWSKPRYWQRBVPH-SJORKVTESA-N 1 0 323.440 3.242 10 0 DGAERO COc1ccc(OC)c(C[NH2+]CCc2cc(C)c(O)c(C)c2)c1 ZINC000190394712 432152924 /nfs/dbraw/zinc/15/29/24/432152924.db2.gz PSJYZGVRVPOYEC-UHFFFAOYSA-N 1 0 315.413 3.359 10 0 DGAERO C[C@@H](C[N@H+](C1CC1)[C@H]1CCCc2ccccc21)CS(C)(=O)=O ZINC000246638884 432150906 /nfs/dbraw/zinc/15/09/06/432150906.db2.gz UGEMGWCOIWHENY-KSSFIOAISA-N 1 0 321.486 3.209 10 0 DGAERO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000181936199 432151544 /nfs/dbraw/zinc/15/15/44/432151544.db2.gz NRYJIZYHIGSVJG-QWHCGFSZSA-N 1 0 310.401 3.252 10 0 DGAERO O[C@H](Cc1ccccc1)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614701 432151601 /nfs/dbraw/zinc/15/16/01/432151601.db2.gz AODPKMYVGYVHRC-MRXNPFEDSA-N 1 0 306.409 3.130 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000246748635 432160101 /nfs/dbraw/zinc/16/01/01/432160101.db2.gz ZRUMKBJFHPQBEL-POAQFYNOSA-N 1 0 320.436 3.288 10 0 DGAERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000190465235 432160394 /nfs/dbraw/zinc/16/03/94/432160394.db2.gz XALOBPGXSGOSKC-CQSZACIVSA-N 1 0 321.515 3.467 10 0 DGAERO CC(C)[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(F)c(F)c1 ZINC000182122370 432160910 /nfs/dbraw/zinc/16/09/10/432160910.db2.gz CJUNPAMFMLIYSW-IRXDYDNUSA-N 1 0 313.388 3.041 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000246745078 432161539 /nfs/dbraw/zinc/16/15/39/432161539.db2.gz YXIZSSSZUKWQSI-VYDXJSESSA-N 1 0 303.450 3.038 10 0 DGAERO COc1cccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1OC ZINC000136716773 432161984 /nfs/dbraw/zinc/16/19/84/432161984.db2.gz XZHXKYGSSCGIJC-OAHLLOKOSA-N 1 0 305.418 3.285 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129444388 196049331 /nfs/dbraw/zinc/04/93/31/196049331.db2.gz FNSJKXVZRKWONO-CQSZACIVSA-N 1 0 304.331 3.418 10 0 DGAERO Cc1ccsc1C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190483674 432162102 /nfs/dbraw/zinc/16/21/02/432162102.db2.gz UKTFBIGARGGAOR-KRWDZBQOSA-N 1 0 315.486 3.405 10 0 DGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(C)c(CC)c1 ZINC000181990378 432155062 /nfs/dbraw/zinc/15/50/62/432155062.db2.gz DBNYZZRHAYHLJJ-QGZVFWFLSA-N 1 0 321.465 3.036 10 0 DGAERO CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000190418689 432155129 /nfs/dbraw/zinc/15/51/29/432155129.db2.gz NCCWKFRAOZNXCH-HIFRSBDPSA-N 1 0 323.506 3.153 10 0 DGAERO C[C@H]([NH2+]CCCn1ccnn1)C(c1ccccc1)c1ccccc1 ZINC000181986068 432155250 /nfs/dbraw/zinc/15/52/50/432155250.db2.gz CJGJUKLCMREKGC-KRWDZBQOSA-N 1 0 320.440 3.478 10 0 DGAERO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000190424535 432155408 /nfs/dbraw/zinc/15/54/08/432155408.db2.gz DXYAIGGYJVJYBK-HZMBPMFUSA-N 1 0 316.239 3.269 10 0 DGAERO COc1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000171650494 432155449 /nfs/dbraw/zinc/15/54/49/432155449.db2.gz RSXLBHDVTLOLSD-INIZCTEOSA-N 1 0 317.433 3.177 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@H]1CCCc1ccccc1)CS(C)(=O)=O ZINC000246720100 432157307 /nfs/dbraw/zinc/15/73/07/432157307.db2.gz FSJXKIMBMRAECA-FUHWJXTLSA-N 1 0 323.502 3.154 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(C(C)(C)C)s1 ZINC000182075780 432157689 /nfs/dbraw/zinc/15/76/89/432157689.db2.gz LNGQGSRLFMNGLL-UONOGXRCSA-N 1 0 307.507 3.499 10 0 DGAERO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1 ZINC000182093982 432158160 /nfs/dbraw/zinc/15/81/60/432158160.db2.gz AJGBFGGJPPAUKA-RDTXWAMCSA-N 1 0 306.450 3.483 10 0 DGAERO C[C@H](CCc1ccccc1F)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246724107 432158391 /nfs/dbraw/zinc/15/83/91/432158391.db2.gz DYBPNUQLNBWACO-HLLBOEOZSA-N 1 0 320.452 3.336 10 0 DGAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000190580661 432171058 /nfs/dbraw/zinc/17/10/58/432171058.db2.gz HFHGFIBDLJFYPZ-INIZCTEOSA-N 1 0 322.493 3.081 10 0 DGAERO CC[C@H](C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246828492 432171019 /nfs/dbraw/zinc/17/10/19/432171019.db2.gz CHAPKKAFXPTJHI-RYQLBKOJSA-N 1 0 300.446 3.123 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000246836113 432171034 /nfs/dbraw/zinc/17/10/34/432171034.db2.gz BYAHSGQFHSSHBY-VQIMIIECSA-N 1 0 312.461 3.066 10 0 DGAERO Cc1nnc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)n1C1CC1 ZINC000246764578 432162607 /nfs/dbraw/zinc/16/26/07/432162607.db2.gz NFPLZXZYNGUIJM-IUODEOHRSA-N 1 0 314.408 3.439 10 0 DGAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000190483358 432163350 /nfs/dbraw/zinc/16/33/50/432163350.db2.gz WNNHPEXYUSKHQM-GOSISDBHSA-N 1 0 313.420 3.175 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000246782231 432165183 /nfs/dbraw/zinc/16/51/83/432165183.db2.gz BFEFFLJQCZDCCF-HUUCEWRRSA-N 1 0 307.438 3.213 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C)cc1 ZINC000246773559 432165553 /nfs/dbraw/zinc/16/55/53/432165553.db2.gz RTVPQXKQQAWMDI-ROUUACIJSA-N 1 0 313.445 3.216 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(OC)c1 ZINC000136938457 432167423 /nfs/dbraw/zinc/16/74/23/432167423.db2.gz IVCIFZPNPHPIJG-ZIAGYGMSSA-N 1 0 322.836 3.047 10 0 DGAERO COC(C)(C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000171827345 432177303 /nfs/dbraw/zinc/17/73/03/432177303.db2.gz MCAJMRYGEGVDGF-OAHLLOKOSA-N 1 0 318.461 3.191 10 0 DGAERO O[C@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](CCc2ccccc2)C1 ZINC000246899167 432177594 /nfs/dbraw/zinc/17/75/94/432177594.db2.gz XQIPNTSIWUDLMA-YJBOKZPZSA-N 1 0 303.352 3.315 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246885459 432177905 /nfs/dbraw/zinc/17/79/05/432177905.db2.gz GHFINCSVUWHNDG-DZGCQCFKSA-N 1 0 323.400 3.021 10 0 DGAERO CC(C)c1nc2c(n1C)CC[N@H+](CCc1ccccc1F)C2 ZINC000137598333 432179216 /nfs/dbraw/zinc/17/92/16/432179216.db2.gz VMQUWWNETSCKIY-UHFFFAOYSA-N 1 0 301.409 3.283 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(F)cc1N(C)C ZINC000246915643 432179646 /nfs/dbraw/zinc/17/96/46/432179646.db2.gz FVQDPIVQTJXKSC-BWUSGFMJSA-N 1 0 306.425 3.500 10 0 DGAERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccccc1OC(F)F ZINC000190665154 432179914 /nfs/dbraw/zinc/17/99/14/432179914.db2.gz DOAHMHILEYDWGP-LLVKDONJSA-N 1 0 301.333 3.092 10 0 DGAERO C[C@H]1CC[C@@H](CN2CCc3cccc(Br)c3C2)O1 ZINC000190582078 432173001 /nfs/dbraw/zinc/17/30/01/432173001.db2.gz RJRONTDDDYFJGO-AAEUAGOBSA-N 1 0 310.235 3.375 10 0 DGAERO O[C@@H](C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)C1CCCCC1 ZINC000190604269 432175668 /nfs/dbraw/zinc/17/56/68/432175668.db2.gz UTESXASUQDXRIH-QUCCMNQESA-N 1 0 317.473 3.466 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3ccccc3c2)C1 ZINC000246878892 432176105 /nfs/dbraw/zinc/17/61/05/432176105.db2.gz UVMRNAFRLJAHEF-OALUTQOASA-N 1 0 308.425 3.396 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000139394447 432183518 /nfs/dbraw/zinc/18/35/18/432183518.db2.gz QLHJGWORENRRMO-HZPDHXFCSA-N 1 0 321.852 3.185 10 0 DGAERO CCc1ccc(C[NH2+]CCc2csc(N3CCCC3)n2)o1 ZINC000150788814 432192414 /nfs/dbraw/zinc/19/24/14/432192414.db2.gz AVKSPEVJVAVWEC-UHFFFAOYSA-N 1 0 305.447 3.231 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC1)CCCO2 ZINC000182385896 432186322 /nfs/dbraw/zinc/18/63/22/432186322.db2.gz VFAZGZVPEPPTFG-YPMHNXCESA-N 1 0 312.207 3.041 10 0 DGAERO Clc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246982464 432187110 /nfs/dbraw/zinc/18/71/10/432187110.db2.gz VXWYAGXRWJHHPA-XJKSGUPXSA-N 1 0 305.853 3.184 10 0 DGAERO C[C@H]1C[N@H+](CC(=O)Nc2ccncc2)CC[C@H]1c1ccccc1 ZINC000246987384 432188237 /nfs/dbraw/zinc/18/82/37/432188237.db2.gz SOIIYHJIZPFAQE-MAUKXSAKSA-N 1 0 309.413 3.146 10 0 DGAERO Cc1ccc(CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC000246995545 432188423 /nfs/dbraw/zinc/18/84/23/432188423.db2.gz KNULJQCFFWCNQD-HIFRSBDPSA-N 1 0 306.475 3.074 10 0 DGAERO O=C(C1CC=CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246986310 432189029 /nfs/dbraw/zinc/18/90/29/432189029.db2.gz KJPFQYJVCWZUFF-WOJBJXKFSA-N 1 0 324.468 3.466 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1F ZINC000247005289 432190237 /nfs/dbraw/zinc/19/02/37/432190237.db2.gz QRNPXNDAQKPINL-OLZOCXBDSA-N 1 0 310.800 3.178 10 0 DGAERO C[C@H]1C[C@H]1[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000150771049 432190652 /nfs/dbraw/zinc/19/06/52/432190652.db2.gz JRPXOPAIVUBPFU-SWLSCSKDSA-N 1 0 302.418 3.482 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1sccc1Br ZINC000247026745 432191718 /nfs/dbraw/zinc/19/17/18/432191718.db2.gz GFVGIKZRUABCES-MNOVXSKESA-N 1 0 315.280 3.179 10 0 DGAERO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247014849 432191742 /nfs/dbraw/zinc/19/17/42/432191742.db2.gz MOAKKYJFJYWLMB-WBVHZDCISA-N 1 0 312.413 3.464 10 0 DGAERO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247014805 432191866 /nfs/dbraw/zinc/19/18/66/432191866.db2.gz MOAKKYJFJYWLMB-RDJZCZTQSA-N 1 0 312.413 3.464 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000247026025 432191978 /nfs/dbraw/zinc/19/19/78/432191978.db2.gz GEWJQPDOAZUMJW-MJGOQNOKSA-N 1 0 305.462 3.216 10 0 DGAERO CSCCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000129749231 196073338 /nfs/dbraw/zinc/07/33/38/196073338.db2.gz YMVNIHSCANBYPM-IUODEOHRSA-N 1 0 312.504 3.000 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(F)cc1 ZINC000172153276 432199708 /nfs/dbraw/zinc/19/97/08/432199708.db2.gz PCLJOJBZXKOTFI-QGZVFWFLSA-N 1 0 321.440 3.232 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1OC ZINC000247022723 432192760 /nfs/dbraw/zinc/19/27/60/432192760.db2.gz KWBSSVZLVZKRDA-ARLBYUKCSA-N 1 0 305.418 3.312 10 0 DGAERO C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000247049402 432195136 /nfs/dbraw/zinc/19/51/36/432195136.db2.gz NDPJMYSYTUSSBT-HZPDHXFCSA-N 1 0 318.461 3.373 10 0 DGAERO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccsc1 ZINC000247052897 432196027 /nfs/dbraw/zinc/19/60/27/432196027.db2.gz NIKHCQNVTIJGKT-MAUKXSAKSA-N 1 0 315.486 3.186 10 0 DGAERO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@H](C)C1CCCC1)c1ccccc1 ZINC000247046502 432196476 /nfs/dbraw/zinc/19/64/76/432196476.db2.gz SEWBHWWFSJLJLJ-XHSDSOJGSA-N 1 0 302.462 3.463 10 0 DGAERO C[C@@H]([NH2+]CCc1ccccc1F)c1cn(-c2ccccc2)nn1 ZINC000150846810 432196958 /nfs/dbraw/zinc/19/69/58/432196958.db2.gz FECOIROEQMJLRO-CQSZACIVSA-N 1 0 310.376 3.300 10 0 DGAERO O=C(NCCC[NH+]1CCCCC1)N1CCC[C@H]1c1ccco1 ZINC000172171629 432201624 /nfs/dbraw/zinc/20/16/24/432201624.db2.gz SAPBKJDTISGRAI-HNNXBMFYSA-N 1 0 305.422 3.002 10 0 DGAERO CC[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1nccs1 ZINC000150920247 432201672 /nfs/dbraw/zinc/20/16/72/432201672.db2.gz ARZWGIYIDHXJHX-CQSZACIVSA-N 1 0 324.494 3.110 10 0 DGAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccs2)c1 ZINC000182540234 432201771 /nfs/dbraw/zinc/20/17/71/432201771.db2.gz MTHGPUVOHFGUFJ-WFASDCNBSA-N 1 0 319.426 3.041 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000247088399 432202400 /nfs/dbraw/zinc/20/24/00/432202400.db2.gz PGKIJZMNCQRUSB-CRAIPNDOSA-N 1 0 312.461 3.316 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000130566015 196091460 /nfs/dbraw/zinc/09/14/60/196091460.db2.gz BCQWGIWKYNQSFV-ZFWWWQNUSA-N 1 0 318.442 3.161 10 0 DGAERO COC(=O)c1ccccc1OCC[NH2+][C@H](C)c1cccs1 ZINC000182553961 432203286 /nfs/dbraw/zinc/20/32/86/432203286.db2.gz WUIDPOVNIHDMGA-GFCCVEGCSA-N 1 0 305.399 3.264 10 0 DGAERO CCc1onc(C)c1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000130723169 196103948 /nfs/dbraw/zinc/10/39/48/196103948.db2.gz HHBUBQKSUQFMQT-KBPBESRZSA-N 1 0 321.465 3.033 10 0 DGAERO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000182596474 432208402 /nfs/dbraw/zinc/20/84/02/432208402.db2.gz DVXHWJNUUVQWEU-CYBMUJFWSA-N 1 0 302.374 3.276 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000247175663 432209461 /nfs/dbraw/zinc/20/94/61/432209461.db2.gz UKTRTIXXWQUIOR-POZUXBRTSA-N 1 0 324.424 3.100 10 0 DGAERO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247186004 432209949 /nfs/dbraw/zinc/20/99/49/432209949.db2.gz BNMWXUXRMRGONL-HOCLYGCPSA-N 1 0 324.415 3.213 10 0 DGAERO CCCCSCCC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247241830 432215979 /nfs/dbraw/zinc/21/59/79/432215979.db2.gz DHMXNPQOBIVHLB-CABCVRRESA-N 1 0 300.512 3.099 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000247238251 432216060 /nfs/dbraw/zinc/21/60/60/432216060.db2.gz YQVBRBWNNTYSMO-CJNGLKHVSA-N 1 0 320.864 3.313 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000191054399 432215361 /nfs/dbraw/zinc/21/53/61/432215361.db2.gz WJWIOYLDQRHJQJ-HNAYVOBHSA-N 1 0 313.445 3.464 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(C)CCCc3ccccc32)CC[N@@H+]1C ZINC000247244561 432215372 /nfs/dbraw/zinc/21/53/72/432215372.db2.gz DKFRWVYDAXGWDD-SYNHAJSKSA-N 1 0 314.473 3.222 10 0 DGAERO C[C@H](SCc1ccccc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247130759 432204715 /nfs/dbraw/zinc/20/47/15/432204715.db2.gz JJISJWYARCXPBV-VYDXJSESSA-N 1 0 318.486 3.003 10 0 DGAERO CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000182559219 432205953 /nfs/dbraw/zinc/20/59/53/432205953.db2.gz XJHICCICNZIFBV-HOTGVXAUSA-N 1 0 317.477 3.449 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2cccc(F)c2)C[C@@H]1CC ZINC000182752170 432224772 /nfs/dbraw/zinc/22/47/72/432224772.db2.gz NIZJBLOFBSWZPN-IBGZPJMESA-N 1 0 322.468 3.191 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000247355344 432224948 /nfs/dbraw/zinc/22/49/48/432224948.db2.gz OGCPAXZILQCVOT-RBSFLKMASA-N 1 0 321.490 3.323 10 0 DGAERO CSc1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000247378023 432226025 /nfs/dbraw/zinc/22/60/25/432226025.db2.gz TVXVMVCDBAPNJM-JSGCOSHPSA-N 1 0 305.447 3.109 10 0 DGAERO COc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1Cl ZINC000247397452 432226836 /nfs/dbraw/zinc/22/68/36/432226836.db2.gz WRIBGCMNXDELKD-YPMHNXCESA-N 1 0 323.824 3.049 10 0 DGAERO COCc1ccsc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000182771431 432227238 /nfs/dbraw/zinc/22/72/38/432227238.db2.gz YNEVCNSRXXMKGG-UHFFFAOYSA-N 1 0 324.490 3.089 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000247396807 432227277 /nfs/dbraw/zinc/22/72/77/432227277.db2.gz MJKLQMCSDFWHOG-XHDPSFHLSA-N 1 0 312.816 3.281 10 0 DGAERO Cc1nc(CC(C)C)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)s1 ZINC000247400112 432227303 /nfs/dbraw/zinc/22/73/03/432227303.db2.gz RAMLLNFYTXSBGV-DOMZBBRYSA-N 1 0 323.506 3.109 10 0 DGAERO C[C@H]1C[C@@H](C[NH3+])CN1CCOc1c(Cl)cccc1Cl ZINC000131467175 196171899 /nfs/dbraw/zinc/17/18/99/196171899.db2.gz HVPICAIXJYCLQV-QWRGUYRKSA-N 1 0 303.233 3.041 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000182696815 432218680 /nfs/dbraw/zinc/21/86/80/432218680.db2.gz UJJWSQQXXKCWPK-KRWDZBQOSA-N 1 0 306.425 3.091 10 0 DGAERO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000172536977 432218997 /nfs/dbraw/zinc/21/89/97/432218997.db2.gz BCVHKAGUCLURBO-BEFAXECRSA-N 1 0 320.452 3.462 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1C ZINC000247287600 432219233 /nfs/dbraw/zinc/21/92/33/432219233.db2.gz YYIXQMGPNHQABI-CVEARBPZSA-N 1 0 307.459 3.018 10 0 DGAERO C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1cccc(F)c1 ZINC000247319327 432221650 /nfs/dbraw/zinc/22/16/50/432221650.db2.gz WZXSLKRTVPVBQN-CPUCHLNUSA-N 1 0 304.409 3.014 10 0 DGAERO COCCN(Cc1nc2cc(F)ccc2o1)Cc1cccnc1 ZINC000191111962 432221795 /nfs/dbraw/zinc/22/17/95/432221795.db2.gz FDBNSNMZWBSRNZ-UHFFFAOYSA-N 1 0 315.348 3.011 10 0 DGAERO CC(C)[N@@H+]1C[C@H](NC(=O)N[C@H](C)CCc2ccccc2)[C@@H](C)C1 ZINC000247309743 432222105 /nfs/dbraw/zinc/22/21/05/432222105.db2.gz LVNLDPQMJNVYIV-JZXOWHBKSA-N 1 0 317.477 3.036 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000172605194 432223912 /nfs/dbraw/zinc/22/39/12/432223912.db2.gz LHLDKJAPRXFEOW-QYZOEREBSA-N 1 0 312.457 3.220 10 0 DGAERO CCc1csc([C@H]2CCC[N@H+](CCCn3ccnc3)C2)n1 ZINC000182744185 432224401 /nfs/dbraw/zinc/22/44/01/432224401.db2.gz XCRJOJYDAQKBLI-AWEZNQCLSA-N 1 0 304.463 3.172 10 0 DGAERO Cc1cccc(N2CCC(NC(=O)[C@H](C)c3ccccc3)CC2)n1 ZINC000182746139 432224610 /nfs/dbraw/zinc/22/46/10/432224610.db2.gz CXIALRADPHCIEA-MRXNPFEDSA-N 1 0 323.440 3.279 10 0 DGAERO C[NH+]1CCC(CCNC(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000131717896 196193246 /nfs/dbraw/zinc/19/32/46/196193246.db2.gz TYXKELKXNQSLRL-UHFFFAOYSA-N 1 0 324.415 3.136 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NC1CCC([NH3+])CC1 ZINC000131905945 196209228 /nfs/dbraw/zinc/20/92/28/196209228.db2.gz MXHOMZNDGJQCSN-UHFFFAOYSA-N 1 0 307.463 3.109 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2cncc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000132047900 196221936 /nfs/dbraw/zinc/22/19/36/196221936.db2.gz KZEZUBVFQVRILJ-HNAYVOBHSA-N 1 0 323.440 3.303 10 0 DGAERO Cc1cc(Cl)ncc1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000132551935 196265813 /nfs/dbraw/zinc/26/58/13/196265813.db2.gz XICGDIRIPBOZHG-GFCCVEGCSA-N 1 0 310.829 3.039 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1c(C)cccc1Cl ZINC000132678743 196274792 /nfs/dbraw/zinc/27/47/92/196274792.db2.gz YEAZLGWSRLISKV-CQSZACIVSA-N 1 0 323.868 3.003 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000132731263 196279269 /nfs/dbraw/zinc/27/92/69/196279269.db2.gz SVXWKSDVUDTWPG-CABCVRRESA-N 1 0 314.395 3.434 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000132891290 196293662 /nfs/dbraw/zinc/29/36/62/196293662.db2.gz JTXMLTBFBWXBLY-CHWSQXEVSA-N 1 0 312.404 3.305 10 0 DGAERO CN1C[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CCC1=O ZINC000132996889 196303268 /nfs/dbraw/zinc/30/32/68/196303268.db2.gz AYCOWJKREXIQIY-MOPGFXCFSA-N 1 0 308.425 3.181 10 0 DGAERO C[C@H](CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000133210663 196321658 /nfs/dbraw/zinc/32/16/58/196321658.db2.gz FFRIJYYRCVCESA-JFIYKMOQSA-N 1 0 300.446 3.265 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000134376606 196383330 /nfs/dbraw/zinc/38/33/30/196383330.db2.gz URUGOJCHYREKER-OAHLLOKOSA-N 1 0 324.490 3.299 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCOCC2CC2)c1 ZINC000158573240 228237409 /nfs/dbraw/zinc/23/74/09/228237409.db2.gz MXWVZAGUIJTHCZ-KRWDZBQOSA-N 1 0 305.418 3.267 10 0 DGAERO Cc1ccc([C@H](CNC(=O)NCC2(C)CCC2)[NH+]2CCCC2)o1 ZINC000176635931 228317012 /nfs/dbraw/zinc/31/70/12/228317012.db2.gz CMAWZUYHWLFBQH-HNNXBMFYSA-N 1 0 319.449 3.214 10 0 DGAERO CCc1oc(C(=O)OC)cc1C[N@H+](C(C)C)C1CCOCC1 ZINC000177268429 228328692 /nfs/dbraw/zinc/32/86/92/228328692.db2.gz VUOSEVCQKUPQQD-UHFFFAOYSA-N 1 0 309.406 3.018 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCOC[C@@H](C4CCC4)C3)C2)cc1 ZINC000298149823 228382598 /nfs/dbraw/zinc/38/25/98/228382598.db2.gz RLNHDXXUHVSDBI-PMACEKPBSA-N 1 0 314.473 3.009 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000311817625 292631136 /nfs/dbraw/zinc/63/11/36/292631136.db2.gz MQSOXPRIYKHXNL-GMXVVIOVSA-N 1 0 301.477 3.315 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000181930692 263586440 /nfs/dbraw/zinc/58/64/40/263586440.db2.gz SQYLXCIUPAPUIS-UHFFFAOYSA-N 1 0 317.408 3.159 10 0 DGAERO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185280318 263632181 /nfs/dbraw/zinc/63/21/81/263632181.db2.gz WELIDDUCSTXDNS-PBHICJAKSA-N 1 0 323.456 3.362 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCc2ccc(C)cc2C)C12CCOCC2 ZINC000186279186 263653734 /nfs/dbraw/zinc/65/37/34/263653734.db2.gz LPAOFMRKFRBTOB-OALUTQOASA-N 1 0 317.473 3.410 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)CC[C@@H]1C ZINC000188306335 263691148 /nfs/dbraw/zinc/69/11/48/263691148.db2.gz ZNGUVNJPBRMAQR-IFXJQAMLSA-N 1 0 313.445 3.346 10 0 DGAERO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](O)CC2CCCC2)c1 ZINC000191237267 263751006 /nfs/dbraw/zinc/75/10/06/263751006.db2.gz FPEUBPLBFOZWRD-HIFRSBDPSA-N 1 0 307.434 3.296 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC000192666012 263782889 /nfs/dbraw/zinc/78/28/89/263782889.db2.gz HIXSFGQFYHARQK-FUHWJXTLSA-N 1 0 324.509 3.020 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000347775976 264282103 /nfs/dbraw/zinc/28/21/03/264282103.db2.gz HJNFTNOHYHYTEK-CABCVRRESA-N 1 0 301.789 3.106 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000347775979 264282140 /nfs/dbraw/zinc/28/21/40/264282140.db2.gz HJNFTNOHYHYTEK-LSDHHAIUSA-N 1 0 301.789 3.106 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)CC2 ZINC000352628328 265109224 /nfs/dbraw/zinc/10/92/24/265109224.db2.gz LWDVCRSTUVRPDZ-GOEBONIOSA-N 1 0 301.430 3.105 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc2c1COC2 ZINC000353273654 265370380 /nfs/dbraw/zinc/37/03/80/265370380.db2.gz HONKDNLLMZEJNN-YTQUADARSA-N 1 0 301.430 3.402 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000247449961 432230060 /nfs/dbraw/zinc/23/00/60/432230060.db2.gz YYXVMFGZOPFTDJ-BRWVUGGUSA-N 1 0 305.462 3.349 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247431129 432230334 /nfs/dbraw/zinc/23/03/34/432230334.db2.gz OSTNDNPLROQWAJ-WFASDCNBSA-N 1 0 324.852 3.151 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000247422133 432229361 /nfs/dbraw/zinc/22/93/61/432229361.db2.gz OBVDAKNDPZGHCL-WDEREUQCSA-N 1 0 300.855 3.204 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2F)[C@H](C)C1 ZINC000247463379 432231627 /nfs/dbraw/zinc/23/16/27/432231627.db2.gz REUYGUNKJLFMRK-CPUCHLNUSA-N 1 0 306.425 3.118 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355227960 266007325 /nfs/dbraw/zinc/00/73/25/266007325.db2.gz VIIZEQXXZUQMCL-FMKPAKJESA-N 1 0 322.474 3.243 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000355518288 266100853 /nfs/dbraw/zinc/10/08/53/266100853.db2.gz VIWAOVUTFWPSBF-UHFFFAOYSA-N 1 0 315.442 3.208 10 0 DGAERO c1coc(-c2cc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)no2)c1 ZINC000355777870 266181236 /nfs/dbraw/zinc/18/12/36/266181236.db2.gz DGBOFVCZQNLDBJ-QGZVFWFLSA-N 1 0 302.374 3.327 10 0 DGAERO CCCCCCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000172753170 432233479 /nfs/dbraw/zinc/23/34/79/432233479.db2.gz BGWHIMKAGQDNCB-UHFFFAOYSA-N 1 0 323.525 3.023 10 0 DGAERO Cc1ccc(C)c(SCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247482691 432234459 /nfs/dbraw/zinc/23/44/59/432234459.db2.gz SVTCHRFOQKIWCQ-JKSUJKDBSA-N 1 0 320.502 3.337 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccc2s1 ZINC000247540057 432239196 /nfs/dbraw/zinc/23/91/96/432239196.db2.gz YIAULTURXAXDDU-OCCSQVGLSA-N 1 0 300.427 3.210 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000247533154 432240228 /nfs/dbraw/zinc/24/02/28/432240228.db2.gz OKOWVKMIOJSDKF-CKEIUWERSA-N 1 0 309.425 3.385 10 0 DGAERO C[C@H](NC(=O)N1CCCC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182936083 432243643 /nfs/dbraw/zinc/24/36/43/432243643.db2.gz FXBNKGDWQKKZQB-HOTGVXAUSA-N 1 0 321.509 3.471 10 0 DGAERO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000172933174 432246303 /nfs/dbraw/zinc/24/63/03/432246303.db2.gz RXKWXZBKXWTZNQ-KGLIPLIRSA-N 1 0 321.440 3.005 10 0 DGAERO Brc1ccc(CC[NH2+][C@@H]2CCCc3n[nH]cc32)cc1 ZINC000367612671 271050418 /nfs/dbraw/zinc/05/04/18/271050418.db2.gz DTJJNBJJPQVBNK-CQSZACIVSA-N 1 0 320.234 3.382 10 0 DGAERO C[C@@H]1CCOCC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000367654084 271058546 /nfs/dbraw/zinc/05/85/46/271058546.db2.gz BBPJAIIVHRQZCS-GFCCVEGCSA-N 1 0 303.324 3.239 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CCCc2ccccn2)c2ccccc2C1 ZINC000368032970 271121310 /nfs/dbraw/zinc/12/13/10/271121310.db2.gz AUIGLTZXDGTEHW-FQEVSTJZSA-N 1 0 323.440 3.097 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cccc(OC3CCCC3)c1)CC2 ZINC000368082282 271133380 /nfs/dbraw/zinc/13/33/80/271133380.db2.gz UVUSVJCVVHFPDK-HNNXBMFYSA-N 1 0 311.429 3.378 10 0 DGAERO O=C(c1cc(O)c2ccccc2c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000369099926 271240454 /nfs/dbraw/zinc/24/04/54/271240454.db2.gz LBHKIANHASTGHX-QGZVFWFLSA-N 1 0 324.424 3.246 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)CCC2CC2)[C@H]1c1cccs1 ZINC000369638914 271303697 /nfs/dbraw/zinc/30/36/97/271303697.db2.gz FTWPHLCIDNGXSR-PBHICJAKSA-N 1 0 306.475 3.437 10 0 DGAERO Fc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2)c1 ZINC000369723099 271314393 /nfs/dbraw/zinc/31/43/93/271314393.db2.gz OMDHPQYQXSUVSO-SAABIXHNSA-N 1 0 322.387 3.442 10 0 DGAERO CCC(CC)C[N@@H+]1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 ZINC000370225598 271345279 /nfs/dbraw/zinc/34/52/79/271345279.db2.gz WFXFCDZCGNYQIZ-MRXNPFEDSA-N 1 0 308.470 3.101 10 0 DGAERO C[C@H](O)CN1CC[N@@H+](C2c3ccccc3-c3ccccc32)C[C@@H]1C ZINC000247805237 432251505 /nfs/dbraw/zinc/25/15/05/432251505.db2.gz SNAMQDCXMDAUQG-HOTGVXAUSA-N 1 0 322.452 3.143 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2ncsc2c1 ZINC000193183891 273641540 /nfs/dbraw/zinc/64/15/40/273641540.db2.gz VUPFAPBCNZPASB-LLVKDONJSA-N 1 0 306.435 3.148 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(F)cc3Cl)CC[C@H]21 ZINC000247968058 432257088 /nfs/dbraw/zinc/25/70/88/432257088.db2.gz HALKGDQYCVGSBF-XHDPSFHLSA-N 1 0 310.800 3.035 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966547 432257293 /nfs/dbraw/zinc/25/72/93/432257293.db2.gz DTZOSDSFEDEBGP-CVEARBPZSA-N 1 0 302.418 3.037 10 0 DGAERO CN1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c2ccccc21 ZINC000194143494 273922676 /nfs/dbraw/zinc/92/26/76/273922676.db2.gz ZCVIXNRVYBKPEN-YCEFEEMOSA-N 1 0 312.457 3.157 10 0 DGAERO C[C@@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)[C@@H]1C[NH3+] ZINC000167405770 274291576 /nfs/dbraw/zinc/29/15/76/274291576.db2.gz NDUWLEJAQUJZNI-QMTHXVAHSA-N 1 0 304.331 3.404 10 0 DGAERO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000245586030 274349534 /nfs/dbraw/zinc/34/95/34/274349534.db2.gz DXGPIJXWBCJNQF-OLMNPRSZSA-N 1 0 306.425 3.072 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000136542143 274386219 /nfs/dbraw/zinc/38/62/19/274386219.db2.gz MXHSBEBPRNJMDB-VNHYZAJKSA-N 1 0 321.490 3.250 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070575422 274735855 /nfs/dbraw/zinc/73/58/55/274735855.db2.gz SFCZCFQHBNZCRX-JQWIXIFHSA-N 1 0 311.223 3.214 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3ncccn3)C1)CC2 ZINC000178194316 274779100 /nfs/dbraw/zinc/77/91/00/274779100.db2.gz BJVZNQMUWTYFMB-SJLPKXTDSA-N 1 0 308.429 3.031 10 0 DGAERO Cc1nc2ccccc2nc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000187775166 274852413 /nfs/dbraw/zinc/85/24/13/274852413.db2.gz GSTMZVNSAPVMEB-MJGOQNOKSA-N 1 0 321.428 3.408 10 0 DGAERO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000194504489 275007012 /nfs/dbraw/zinc/00/70/12/275007012.db2.gz PCLUTMJHPUJAMZ-JKSUJKDBSA-N 1 0 318.848 3.140 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CC1=CCOCC1 ZINC000453301126 275063090 /nfs/dbraw/zinc/06/30/90/275063090.db2.gz YHWCUDRAWRFTEV-SFHVURJKSA-N 1 0 309.413 3.186 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000281974050 275067854 /nfs/dbraw/zinc/06/78/54/275067854.db2.gz BPTLWFHZLLCOHE-MJGOQNOKSA-N 1 0 314.473 3.452 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCC[NH2+]C1 ZINC000423563897 275371040 /nfs/dbraw/zinc/37/10/40/275371040.db2.gz RRBSMXICZHOOCC-ZFWWWQNUSA-N 1 0 309.251 3.168 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cc[nH]c1)CCO2 ZINC000267936643 275372365 /nfs/dbraw/zinc/37/23/65/275372365.db2.gz OOANYYWNNSUXSN-CYBMUJFWSA-N 1 0 307.191 3.391 10 0 DGAERO CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116423479 275511962 /nfs/dbraw/zinc/51/19/62/275511962.db2.gz SIXCRUYQDVHODS-OAHLLOKOSA-N 1 0 319.449 3.389 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(Cc3ccccc3OC(F)F)CC[C@H]21 ZINC000248004756 432261012 /nfs/dbraw/zinc/26/10/12/432261012.db2.gz KSQJSNLMGYPPRG-UKRRQHHQSA-N 1 0 310.388 3.204 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000262458962 275816617 /nfs/dbraw/zinc/81/66/17/275816617.db2.gz IKNHFJQFUURXOR-ZFWWWQNUSA-N 1 0 322.449 3.257 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000121526081 276111783 /nfs/dbraw/zinc/11/17/83/276111783.db2.gz SGLLLFIJUPXLLJ-KBPBESRZSA-N 1 0 307.438 3.245 10 0 DGAERO CC1(C)CN(C(=O)c2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000261564953 276127177 /nfs/dbraw/zinc/12/71/77/276127177.db2.gz DWCWVIMOKSEZDY-NSHDSACASA-N 1 0 301.217 3.193 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000473191173 276251183 /nfs/dbraw/zinc/25/11/83/276251183.db2.gz XGHIEGREVPWMRK-CVEARBPZSA-N 1 0 321.465 3.494 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)c1cn(C)c2ccc(F)cc12 ZINC000435835241 276253094 /nfs/dbraw/zinc/25/30/94/276253094.db2.gz LYAHFZZDAFGBGQ-UHFFFAOYSA-N 1 0 319.424 3.121 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000046279074 276338626 /nfs/dbraw/zinc/33/86/26/276338626.db2.gz VUDMXSAUZGMPMU-PBHICJAKSA-N 1 0 303.450 3.046 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000048541552 276339569 /nfs/dbraw/zinc/33/95/69/276339569.db2.gz DMIRBAYWJSALMF-GFCCVEGCSA-N 1 0 321.421 3.046 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000245479262 276377559 /nfs/dbraw/zinc/37/75/59/276377559.db2.gz WHLAFNPDONZLIQ-SJORKVTESA-N 1 0 317.477 3.047 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CC(C)(C)c3ccccc31)CC2 ZINC000180616598 276695610 /nfs/dbraw/zinc/69/56/10/276695610.db2.gz YNBBMTABJYDMTC-CJNGLKHVSA-N 1 0 310.445 3.168 10 0 DGAERO c1ncn2c1c(NCC1CC[NH+](C3CC3)CC1)nc1ccccc12 ZINC000624161413 429931122 /nfs/dbraw/zinc/93/11/22/429931122.db2.gz ADXGQRMBKVQVFA-UHFFFAOYSA-N 1 0 321.428 3.169 10 0 DGAERO CN(C)C(=O)C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000130300494 276749570 /nfs/dbraw/zinc/74/95/70/276749570.db2.gz PJXSQLRCNOMBDQ-QGZVFWFLSA-N 1 0 304.409 3.003 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)C1 ZINC000170830269 276835053 /nfs/dbraw/zinc/83/50/53/276835053.db2.gz FCIOXCQVPWZASU-HZPDHXFCSA-N 1 0 303.450 3.119 10 0 DGAERO C[NH+]1CCC(C(=O)N[C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000156506063 277025210 /nfs/dbraw/zinc/02/52/10/277025210.db2.gz WNRSEABQJDKXAF-KRWDZBQOSA-N 1 0 300.446 3.158 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000182150754 277083718 /nfs/dbraw/zinc/08/37/18/277083718.db2.gz HBSJJPPVYAQMSW-DEYYWGMASA-N 1 0 303.450 3.024 10 0 DGAERO CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128962784 277174556 /nfs/dbraw/zinc/17/45/56/277174556.db2.gz BZUUJWDNKHQVLY-JKSUJKDBSA-N 1 0 321.465 3.468 10 0 DGAERO COc1ccc(OC)c(CC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245916870 277423533 /nfs/dbraw/zinc/42/35/33/277423533.db2.gz QFGXUMNSTGUDQO-KBAYOESNSA-N 1 0 319.445 3.040 10 0 DGAERO COC1CC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449235988 277476175 /nfs/dbraw/zinc/47/61/75/277476175.db2.gz IGZSDLPSUIDLEB-KJHLLKJSSA-N 1 0 314.198 3.343 10 0 DGAERO CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000467374367 277625949 /nfs/dbraw/zinc/62/59/49/277625949.db2.gz WINIDTJSEHSGNP-PKFCDNJMSA-N 1 0 302.340 3.491 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000247255298 277778751 /nfs/dbraw/zinc/77/87/51/277778751.db2.gz NSIBNQVLBBMEHV-HLLBOEOZSA-N 1 0 307.482 3.081 10 0 DGAERO COc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000185508476 278017731 /nfs/dbraw/zinc/01/77/31/278017731.db2.gz UZGWLNGRAKJDAQ-AWEZNQCLSA-N 1 0 305.422 3.081 10 0 DGAERO CC(=O)N1CC[N@H+](C[C@@H]2CCC(F)(F)C2)CC12CCCCC2 ZINC000450647708 278041456 /nfs/dbraw/zinc/04/14/56/278041456.db2.gz XHNMIPNRBKLEPO-OAHLLOKOSA-N 1 0 314.420 3.289 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)C2CCC2)c2ccc(F)cc2C1 ZINC000192735984 278056911 /nfs/dbraw/zinc/05/69/11/278056911.db2.gz MFUHRGNOZFRHJE-XIKOKIGWSA-N 1 0 304.409 3.397 10 0 DGAERO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000262440395 278235106 /nfs/dbraw/zinc/23/51/06/278235106.db2.gz GRZUAHXPXPNDLZ-FZMZJTMJSA-N 1 0 314.351 3.415 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194282091 278253160 /nfs/dbraw/zinc/25/31/60/278253160.db2.gz IBWUMNJMSDHLGG-ZDUSSCGKSA-N 1 0 300.406 3.164 10 0 DGAERO C[C@@H]([NH2+]CCO[C@H]1CCCCO1)c1ccccc1-n1cccn1 ZINC000193088935 278347965 /nfs/dbraw/zinc/34/79/65/278347965.db2.gz GQJRQAKPEADALC-QAPCUYQASA-N 1 0 315.417 3.066 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CCCC1 ZINC000189036417 278373043 /nfs/dbraw/zinc/37/30/43/278373043.db2.gz ZHSYJYTXISGMEE-CXAGYDPISA-N 1 0 304.409 3.095 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)C1CCS(=O)(=O)CC1 ZINC000250127592 278374661 /nfs/dbraw/zinc/37/46/61/278374661.db2.gz WLGBRQSJINNNGA-HBUWYVDXSA-N 1 0 321.486 3.428 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732226 278442375 /nfs/dbraw/zinc/44/23/75/278442375.db2.gz LEQGTGPYXRCLHR-BZUAXINKSA-N 1 0 302.466 3.250 10 0 DGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000108863578 278493509 /nfs/dbraw/zinc/49/35/09/278493509.db2.gz LFSNZAPCYPHQGT-UPJWGTAASA-N 1 0 306.372 3.050 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000333357399 278585844 /nfs/dbraw/zinc/58/58/44/278585844.db2.gz KNTPDFUYJDJWOK-CKEIUWERSA-N 1 0 301.434 3.066 10 0 DGAERO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000247049903 278952364 /nfs/dbraw/zinc/95/23/64/278952364.db2.gz VEZHATWSQCVPCI-HLLBOEOZSA-N 1 0 324.424 3.476 10 0 DGAERO [NH3+][C@H]1CN(Cc2cccc3cccnc32)C[C@H]1c1ccc(F)cc1 ZINC000108479096 431144384 /nfs/dbraw/zinc/14/43/84/431144384.db2.gz LVRFBBPCNSGUFR-OALUTQOASA-N 1 0 321.399 3.301 10 0 DGAERO C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1ccccc1F ZINC000108959167 431162337 /nfs/dbraw/zinc/16/23/37/431162337.db2.gz UWEMQTAJUPRXSL-RDTXWAMCSA-N 1 0 314.404 3.348 10 0 DGAERO CCc1nc2n(n1)C[C@@H](Nc1cc(C)[nH+]c3ccccc13)CC2 ZINC000108948694 431163713 /nfs/dbraw/zinc/16/37/13/431163713.db2.gz KWVLUJXKJVMUIF-ZDUSSCGKSA-N 1 0 307.401 3.124 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000069135395 431165775 /nfs/dbraw/zinc/16/57/75/431165775.db2.gz BPLGIGIERGFBBR-MWLCHTKSSA-N 1 0 322.257 3.221 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000109168376 431171947 /nfs/dbraw/zinc/17/19/47/431171947.db2.gz VGYXKPHPGQTECL-ZBFHGGJFSA-N 1 0 321.465 3.071 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000108807074 431157669 /nfs/dbraw/zinc/15/76/69/431157669.db2.gz OUJLHMPGEUTLHU-GUDVDZBRSA-N 1 0 308.425 3.106 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(CCSC)cc1 ZINC000069685686 431213836 /nfs/dbraw/zinc/21/38/36/431213836.db2.gz PGUILRRQMWYAEP-CQSZACIVSA-N 1 0 323.506 3.444 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000246380398 279495998 /nfs/dbraw/zinc/49/59/98/279495998.db2.gz MQJQAAKHZQZHRD-ZQIUZPCESA-N 1 0 316.445 3.183 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000112005428 431243935 /nfs/dbraw/zinc/24/39/35/431243935.db2.gz QTUMWWCZSQZFCN-INIZCTEOSA-N 1 0 323.440 3.045 10 0 DGAERO CCCCNc1ccc(C(=O)OCC[N@H+](C)CCSC)cc1 ZINC000002038412 431245292 /nfs/dbraw/zinc/24/52/92/431245292.db2.gz HDPSSOWXNWNZNC-UHFFFAOYSA-N 1 0 324.490 3.350 10 0 DGAERO C[C@H]([NH3+])CCC(=O)Nc1ccccc1SCC(F)(F)F ZINC000070315478 431248744 /nfs/dbraw/zinc/24/87/44/431248744.db2.gz YTFJXSFBOQJJSH-VIFPVBQESA-N 1 0 306.353 3.407 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc(Cl)c1 ZINC000112549870 431283353 /nfs/dbraw/zinc/28/33/53/431283353.db2.gz ZPSAKKARSLHHND-BBRMVZONSA-N 1 0 316.836 3.450 10 0 DGAERO C[NH+]1CCC(Oc2ccc(NC(=O)C3CCCCC3)cn2)CC1 ZINC000071564858 431283681 /nfs/dbraw/zinc/28/36/81/431283681.db2.gz YBTAPIHFRFOVJK-UHFFFAOYSA-N 1 0 317.433 3.073 10 0 DGAERO Cc1cccc(C)c1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000071790523 431285941 /nfs/dbraw/zinc/28/59/41/431285941.db2.gz HFENLDCWRDNAKI-HUUCEWRRSA-N 1 0 304.434 3.355 10 0 DGAERO COc1cc(C)sc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000070858196 431260030 /nfs/dbraw/zinc/26/00/30/431260030.db2.gz VURLGVRIKGWMMF-CQSZACIVSA-N 1 0 322.474 3.156 10 0 DGAERO O=C(Nc1ccccc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877297 431322194 /nfs/dbraw/zinc/32/21/94/431322194.db2.gz DYDAFXKICGZMGK-UHFFFAOYSA-N 1 0 305.397 3.165 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1ccc(Cl)s1 ZINC000072012913 431325929 /nfs/dbraw/zinc/32/59/29/431325929.db2.gz LRUOJJDRBNIOPM-GFCCVEGCSA-N 1 0 316.898 3.427 10 0 DGAERO C[C@@H]1CCc2c(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)csc2C1 ZINC000113233270 431333619 /nfs/dbraw/zinc/33/36/19/431333619.db2.gz WBBYUESRIRUOGX-HZSPNIEDSA-N 1 0 318.486 3.182 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000113228018 431336332 /nfs/dbraw/zinc/33/63/32/431336332.db2.gz DGVAIMVWOVIFHX-SMDDNHRTSA-N 1 0 312.335 3.014 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000113230648 431336528 /nfs/dbraw/zinc/33/65/28/431336528.db2.gz YMKIVKWHPFUWNN-RHSMWYFYSA-N 1 0 300.446 3.293 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000113228016 431336674 /nfs/dbraw/zinc/33/66/74/431336674.db2.gz DGVAIMVWOVIFHX-BXUZGUMPSA-N 1 0 312.335 3.014 10 0 DGAERO Cn1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c2ccccc21 ZINC000007257773 431337872 /nfs/dbraw/zinc/33/78/72/431337872.db2.gz GCCFZZPDBXXANV-GOSISDBHSA-N 1 0 321.424 3.211 10 0 DGAERO CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C(C)C)C1CCOCC1 ZINC000072685578 431347195 /nfs/dbraw/zinc/34/71/95/431347195.db2.gz PFOXXBXSRBZYCC-MRXNPFEDSA-N 1 0 312.498 3.207 10 0 DGAERO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1OC ZINC000072901378 431354434 /nfs/dbraw/zinc/35/44/34/431354434.db2.gz ISRJBTPJENFEPG-CYBMUJFWSA-N 1 0 310.463 3.097 10 0 DGAERO CC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(C)cc1 ZINC000113580834 431355344 /nfs/dbraw/zinc/35/53/44/431355344.db2.gz DYBPVERDHDZCBT-JQHSSLGASA-N 1 0 315.461 3.324 10 0 DGAERO C[C@H]1CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)[C@H](C[NH3+])C1 ZINC000261637397 279710940 /nfs/dbraw/zinc/71/09/40/279710940.db2.gz ANAQFSGLCKCIDS-KSSFIOAISA-N 1 0 320.436 3.457 10 0 DGAERO CSc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000007817988 431365913 /nfs/dbraw/zinc/36/59/13/431365913.db2.gz DPQIBGFLDIBIHF-KRWDZBQOSA-N 1 0 314.454 3.441 10 0 DGAERO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000074351269 431416823 /nfs/dbraw/zinc/41/68/23/431416823.db2.gz PQNQNOCYEXOBKO-OAHLLOKOSA-N 1 0 308.385 3.306 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2cccc(Cl)c2)cc1 ZINC000008031336 431376948 /nfs/dbraw/zinc/37/69/48/431376948.db2.gz KXEAGMCGLCVORJ-HNNXBMFYSA-N 1 0 309.818 3.122 10 0 DGAERO C[N@H+](CCNC(=O)C(C)(C)c1cccs1)Cc1ccccc1 ZINC000115041130 431425169 /nfs/dbraw/zinc/42/51/69/431425169.db2.gz JPMHKNPLUCGSIN-UHFFFAOYSA-N 1 0 316.470 3.274 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)NCC1CCCCC1 ZINC000114482652 431392241 /nfs/dbraw/zinc/39/22/41/431392241.db2.gz XHGJMZXCRLZTSV-KRWDZBQOSA-N 1 0 318.465 3.023 10 0 DGAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114564018 431397593 /nfs/dbraw/zinc/39/75/93/431397593.db2.gz LXUYXRJOKZXOEX-UXHICEINSA-N 1 0 315.457 3.386 10 0 DGAERO CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCCC1 ZINC000074791602 431439801 /nfs/dbraw/zinc/43/98/01/431439801.db2.gz QQPIUIQYEGDFEU-ZXFUBFMLSA-N 1 0 307.482 3.366 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000010018632 431452786 /nfs/dbraw/zinc/45/27/86/431452786.db2.gz HIVIGMDULDWNFR-INIZCTEOSA-N 1 0 301.365 3.250 10 0 DGAERO C[NH+](C)Cc1cc(CNc2ccnc(C3CC3)n2)ccc1F ZINC000115518874 431457718 /nfs/dbraw/zinc/45/77/18/431457718.db2.gz AOGYQFQWBKMSKV-UHFFFAOYSA-N 1 0 300.381 3.167 10 0 DGAERO CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1cccnc1 ZINC000115645241 431465957 /nfs/dbraw/zinc/46/59/57/431465957.db2.gz UIWBYJVREKVLRF-OAHLLOKOSA-N 1 0 318.465 3.047 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2OC(C)(C)C)C1 ZINC000115778688 431474212 /nfs/dbraw/zinc/47/42/12/431474212.db2.gz YTUYSXDTBHEXIU-CYBMUJFWSA-N 1 0 305.422 3.032 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116532646 431516732 /nfs/dbraw/zinc/51/67/32/431516732.db2.gz BXOXPBHBZXANNW-HUUCEWRRSA-N 1 0 307.438 3.102 10 0 DGAERO CC(C)c1csc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)n1 ZINC000076052502 431518133 /nfs/dbraw/zinc/51/81/33/431518133.db2.gz UGVACIYOOZXECV-GFCCVEGCSA-N 1 0 310.467 3.262 10 0 DGAERO Cc1cccc(N2CCC(NC(=O)C[C@H](C)C(C)C)CC2)n1 ZINC000116667828 431520129 /nfs/dbraw/zinc/52/01/29/431520129.db2.gz DFLGPELOMVINGF-AWEZNQCLSA-N 1 0 303.450 3.157 10 0 DGAERO C[C@H]1CC[C@H](C)[N@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000076149867 431530425 /nfs/dbraw/zinc/53/04/25/431530425.db2.gz HWJNRBAOUXXFAK-KBPBESRZSA-N 1 0 306.475 3.143 10 0 DGAERO C[N@@H+](Cc1ccccc1OCC(F)(F)F)C[C@H]1CCCO1 ZINC000075641397 431489811 /nfs/dbraw/zinc/48/98/11/431489811.db2.gz HOHXBKDIPZOCDF-CYBMUJFWSA-N 1 0 303.324 3.239 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000116201950 431494446 /nfs/dbraw/zinc/49/44/46/431494446.db2.gz NHVGDFXTIHZOGK-IXDOHACOSA-N 1 0 300.446 3.184 10 0 DGAERO CC(C)[C@H](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116245713 431496600 /nfs/dbraw/zinc/49/66/00/431496600.db2.gz RQUASPGHMJIIKJ-RYRKJORJSA-N 1 0 317.477 3.090 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(OC(F)F)cc3)C2)cn1 ZINC000116317225 431502462 /nfs/dbraw/zinc/50/24/62/431502462.db2.gz CIHVHDUOMYBGEO-CYBMUJFWSA-N 1 0 307.344 3.011 10 0 DGAERO CCCCCOc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000075873466 431503044 /nfs/dbraw/zinc/50/30/44/431503044.db2.gz ARCYLMGJPRVFFU-UHFFFAOYSA-N 1 0 318.461 3.422 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](CCOc3cccc4ccccc43)C2)cn1 ZINC000116320599 431503556 /nfs/dbraw/zinc/50/35/56/431503556.db2.gz VVLFIJUQSNTKOO-KRWDZBQOSA-N 1 0 321.424 3.442 10 0 DGAERO Cc1ccc(-c2cc(C[N@H+]3CC[C@H](c4cnn(C)c4)C3)on2)cc1 ZINC000116319379 431504722 /nfs/dbraw/zinc/50/47/22/431504722.db2.gz KETZWLPFHBAYAA-INIZCTEOSA-N 1 0 322.412 3.373 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000075982238 431511642 /nfs/dbraw/zinc/51/16/42/431511642.db2.gz XGRHHQXRINPLLH-BLLLJJGKSA-N 1 0 321.852 3.012 10 0 DGAERO CC[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000117342948 431556595 /nfs/dbraw/zinc/55/65/95/431556595.db2.gz FKONXLBDKFGISM-KBPBESRZSA-N 1 0 320.399 3.299 10 0 DGAERO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3cccc(C(N)=O)c3)C2)cc1 ZINC000076393943 431545681 /nfs/dbraw/zinc/54/56/81/431545681.db2.gz PHMGETDWELQVEM-KSSFIOAISA-N 1 0 324.424 3.172 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000076479982 431553204 /nfs/dbraw/zinc/55/32/04/431553204.db2.gz OOGSHSBMYJQQLD-CZUORRHYSA-N 1 0 308.853 3.071 10 0 DGAERO CC[N@H+](CCc1ccccc1)C[C@H](O)COCc1ccccc1 ZINC000076512390 431555325 /nfs/dbraw/zinc/55/53/25/431555325.db2.gz ZIJJFLFHNRALEP-FQEVSTJZSA-N 1 0 313.441 3.129 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000185310384 280023621 /nfs/dbraw/zinc/02/36/21/280023621.db2.gz RCKSJTLXXAJVPA-SQNIBIBYSA-N 1 0 306.494 3.393 10 0 DGAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC000261770640 280029863 /nfs/dbraw/zinc/02/98/63/280029863.db2.gz RGGKDHXDWBPLOC-MRXNPFEDSA-N 1 0 310.372 3.140 10 0 DGAERO CC(C)OCCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013722179 431566339 /nfs/dbraw/zinc/56/63/39/431566339.db2.gz FCNNACHMRVBXIE-UHFFFAOYSA-N 1 0 301.390 3.174 10 0 DGAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293992131 280068585 /nfs/dbraw/zinc/06/85/85/280068585.db2.gz CANHMFJORJYXKV-QNSHHTMESA-N 1 0 302.237 3.265 10 0 DGAERO COCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000013722236 431566766 /nfs/dbraw/zinc/56/67/66/431566766.db2.gz JYCUNAQHZNJLIB-UHFFFAOYSA-N 1 0 315.413 3.400 10 0 DGAERO CCOc1c(C[NH2+]CCc2ccccc2OC)cccc1OC ZINC000013718980 431566945 /nfs/dbraw/zinc/56/69/45/431566945.db2.gz RVAFAYUWSSIPNU-UHFFFAOYSA-N 1 0 315.413 3.435 10 0 DGAERO CCCCOCCC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000013719911 431567413 /nfs/dbraw/zinc/56/74/13/431567413.db2.gz GYLHAFLPTNDJDN-UHFFFAOYSA-N 1 0 311.422 3.009 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000191947997 280290594 /nfs/dbraw/zinc/29/05/94/280290594.db2.gz COYPPIJUUBWPAI-OALUTQOASA-N 1 0 311.429 3.324 10 0 DGAERO CC(C)[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1Cl ZINC000180167494 280333704 /nfs/dbraw/zinc/33/37/04/280333704.db2.gz LASGDMGVVCJHEF-WBMJQRKESA-N 1 0 304.825 3.233 10 0 DGAERO CC(C)[N@H+](Cc1nc(-c2ccsc2)no1)C1CCOCC1 ZINC000077323717 431583982 /nfs/dbraw/zinc/58/39/82/431583982.db2.gz YICACWHEYZRRSY-UHFFFAOYSA-N 1 0 307.419 3.188 10 0 DGAERO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCCC2(C)C)cc1 ZINC000077382926 431589434 /nfs/dbraw/zinc/58/94/34/431589434.db2.gz DKLZNANUYMBCAV-UHFFFAOYSA-N 1 0 318.461 3.007 10 0 DGAERO Cc1ccc(CCC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000025385493 431653912 /nfs/dbraw/zinc/65/39/12/431653912.db2.gz LUWHJULEHNAYNZ-MRXNPFEDSA-N 1 0 316.470 3.408 10 0 DGAERO OCCCC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000118844365 431622213 /nfs/dbraw/zinc/62/22/13/431622213.db2.gz PZUOACBNFCFHQX-UHFFFAOYSA-N 1 0 304.365 3.218 10 0 DGAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000118975829 431628392 /nfs/dbraw/zinc/62/83/92/431628392.db2.gz WIDMZBOFGNMXPA-LSDHHAIUSA-N 1 0 317.351 3.240 10 0 DGAERO CCOCCN(C(=O)C[NH+](CC)CC)c1c(C)cccc1C ZINC000027641476 431691944 /nfs/dbraw/zinc/69/19/44/431691944.db2.gz DYRGMUPZSJGPRT-UHFFFAOYSA-N 1 0 306.450 3.015 10 0 DGAERO Cn1ccnc1-c1cccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)c1 ZINC000119517579 431701647 /nfs/dbraw/zinc/70/16/47/431701647.db2.gz OPOLEELTXFPUAZ-QGZVFWFLSA-N 1 0 320.396 3.116 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)c2ccccc21 ZINC000079495048 431727002 /nfs/dbraw/zinc/72/70/02/431727002.db2.gz IZLJJKAPFUHDSN-HUUCEWRRSA-N 1 0 303.450 3.296 10 0 DGAERO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1nnnn1C(C)C ZINC000120507125 431731402 /nfs/dbraw/zinc/73/14/02/431731402.db2.gz MTLSOZZAKUDFMA-INIZCTEOSA-N 1 0 301.438 3.097 10 0 DGAERO Cc1cc(F)cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000079677841 431739219 /nfs/dbraw/zinc/73/92/19/431739219.db2.gz MONFIAAMMLWFTO-SFHVURJKSA-N 1 0 314.404 3.037 10 0 DGAERO C[C@@H](C1CC1)[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000121053089 431739236 /nfs/dbraw/zinc/73/92/36/431739236.db2.gz ALRHIJIOCGDASV-JQWIXIFHSA-N 1 0 318.244 3.463 10 0 DGAERO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)o1 ZINC000030902573 431748483 /nfs/dbraw/zinc/74/84/83/431748483.db2.gz ZCIPLASDMUCRJE-XJKSGUPXSA-N 1 0 308.385 3.274 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000079885829 431750590 /nfs/dbraw/zinc/75/05/90/431750590.db2.gz LGZGBNULOHADAX-CQSZACIVSA-N 1 0 312.866 3.033 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)NCCC1CCCC1)c1cccs1 ZINC000031164790 431752015 /nfs/dbraw/zinc/75/20/15/431752015.db2.gz QCHVSWWCKGIVMJ-AWEZNQCLSA-N 1 0 309.479 3.230 10 0 DGAERO C[C@H](CNC(=O)N[C@H](C)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000079855634 431752235 /nfs/dbraw/zinc/75/22/35/431752235.db2.gz SZQDQYFDDXEOEO-ZIAGYGMSSA-N 1 0 323.868 3.432 10 0 DGAERO COc1ccc2c(c1)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 ZINC000029220099 431716883 /nfs/dbraw/zinc/71/68/83/431716883.db2.gz MOONCMLYIMOYKM-URMOITLNSA-N 1 0 313.441 3.054 10 0 DGAERO CCC[NH+]1CCN(c2nc(C)nc3sc(C)c(C)c32)CC1 ZINC000034758112 431818248 /nfs/dbraw/zinc/81/82/48/431818248.db2.gz IQYGFUJQNNXGFZ-UHFFFAOYSA-N 1 0 304.463 3.149 10 0 DGAERO O=C(NC1CCCCCC1)[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128815 431808801 /nfs/dbraw/zinc/80/88/01/431808801.db2.gz INDCZIMZJFCKGG-OAHLLOKOSA-N 1 0 301.434 3.137 10 0 DGAERO CN(C)C(=O)Sc1cccc(C[N@H+](C)C[C@H]2CCCO2)c1 ZINC000084074388 431812945 /nfs/dbraw/zinc/81/29/45/431812945.db2.gz DJLZHALSIVTOQI-CQSZACIVSA-N 1 0 308.447 3.071 10 0 DGAERO Cc1nnc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)n1C1CC1 ZINC000121371269 431777950 /nfs/dbraw/zinc/77/79/50/431777950.db2.gz NFPLZXZYNGUIJM-SWLSCSKDSA-N 1 0 314.408 3.439 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000122623763 431840205 /nfs/dbraw/zinc/84/02/05/431840205.db2.gz QXPKOPGKIKREFR-IBGZPJMESA-N 1 0 319.408 3.268 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCc2cccs2)[C@H](C)C1 ZINC000122638420 431840303 /nfs/dbraw/zinc/84/03/03/431840303.db2.gz UQOYHFCPTCIDMH-GDBMZVCRSA-N 1 0 308.491 3.260 10 0 DGAERO CN(C)C(=O)[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000122637030 431840529 /nfs/dbraw/zinc/84/05/29/431840529.db2.gz RTHDGJLYKVCIIR-CYBMUJFWSA-N 1 0 301.217 3.046 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000036825300 431841813 /nfs/dbraw/zinc/84/18/13/431841813.db2.gz WMPQGQMANLSTMN-SKDRFNHKSA-N 1 0 317.216 3.089 10 0 DGAERO O=C(Nc1ccccc1SCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000037020316 431842463 /nfs/dbraw/zinc/84/24/63/431842463.db2.gz DSNUYVIVLYPEOL-SNVBAGLBSA-N 1 0 318.364 3.279 10 0 DGAERO CC(C)CCC[C@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037231661 431844912 /nfs/dbraw/zinc/84/49/12/431844912.db2.gz IHXCYWJCOAECDM-UONOGXRCSA-N 1 0 312.479 3.199 10 0 DGAERO NC(=O)C1CCC([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000037152725 431844985 /nfs/dbraw/zinc/84/49/85/431844985.db2.gz GLLGUKBFDSHGFK-UHFFFAOYSA-N 1 0 306.837 3.220 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C)cn12 ZINC000122827576 431845467 /nfs/dbraw/zinc/84/54/67/431845467.db2.gz NYPXRRVCJJICIQ-KRWDZBQOSA-N 1 0 323.444 3.330 10 0 DGAERO C[C@@H]1CN(CCOc2c(Cl)cccc2Cl)[C@H](C)C[NH2+]1 ZINC000086470714 431845742 /nfs/dbraw/zinc/84/57/42/431845742.db2.gz DVDBUBRZRJDCKF-GHMZBOCLSA-N 1 0 303.233 3.054 10 0 DGAERO CC(C)c1ccc(OCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000122850460 431846411 /nfs/dbraw/zinc/84/64/11/431846411.db2.gz HHRIUXCPDBPJAC-NVXWUHKLSA-N 1 0 318.461 3.130 10 0 DGAERO COC(=O)CCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037416982 431846498 /nfs/dbraw/zinc/84/64/98/431846498.db2.gz RPGIJQGPPLOKPE-JTQLQIEISA-N 1 0 300.196 3.053 10 0 DGAERO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCc1ccsc1 ZINC000122951899 431849425 /nfs/dbraw/zinc/84/94/25/431849425.db2.gz PKRCKWFBYCEHRA-NSHDSACASA-N 1 0 323.849 3.346 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2cccc(-c3nccs3)c2)CC1 ZINC000037767686 431849712 /nfs/dbraw/zinc/84/97/12/431849712.db2.gz ZLKHAZGJIUUURK-UHFFFAOYSA-N 1 0 301.415 3.266 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1cccs1 ZINC000037890120 431851221 /nfs/dbraw/zinc/85/12/21/431851221.db2.gz ATLLYZFZZCGAIB-VXGBXAGGSA-N 1 0 311.834 3.492 10 0 DGAERO O=C(c1c(F)cccc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917318 431851237 /nfs/dbraw/zinc/85/12/37/431851237.db2.gz OJVDKKFEMNXBAU-BXUZGUMPSA-N 1 0 310.800 3.083 10 0 DGAERO Clc1ccccc1OCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917782 431851460 /nfs/dbraw/zinc/85/14/60/431851460.db2.gz GSKSYABLVQQYGR-HOCLYGCPSA-N 1 0 308.853 3.183 10 0 DGAERO O=C(CCCc1cccs1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917195 431851807 /nfs/dbraw/zinc/85/18/07/431851807.db2.gz ALPCWGAIZGZURG-HOCLYGCPSA-N 1 0 306.475 3.061 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)c1 ZINC000123041834 431853067 /nfs/dbraw/zinc/85/30/67/431853067.db2.gz UKBMPHSIZQWASC-GOSISDBHSA-N 1 0 309.413 3.304 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1OC ZINC000123062176 431853389 /nfs/dbraw/zinc/85/33/89/431853389.db2.gz GEHIVIWIWPQIJJ-MRXNPFEDSA-N 1 0 315.417 3.046 10 0 DGAERO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000038012546 431853493 /nfs/dbraw/zinc/85/34/93/431853493.db2.gz JWADFZFWTRVTGS-QWRGUYRKSA-N 1 0 313.239 3.014 10 0 DGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000123101595 431855359 /nfs/dbraw/zinc/85/53/59/431855359.db2.gz AGEIDUIRUORZLZ-FUHWJXTLSA-N 1 0 314.477 3.499 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)c1nc2ccccc2n1C ZINC000123107650 431855480 /nfs/dbraw/zinc/85/54/80/431855480.db2.gz YFCIUXTYYYMLFZ-CABCVRRESA-N 1 0 302.466 3.200 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)ccc1F ZINC000040437619 431856656 /nfs/dbraw/zinc/85/66/56/431856656.db2.gz FYTNXDMFDPAMOU-LBPRGKRZSA-N 1 0 300.805 3.185 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000088686646 431858528 /nfs/dbraw/zinc/85/85/28/431858528.db2.gz OXOWHBCLQBDKHE-BHYGNILZSA-N 1 0 318.461 3.227 10 0 DGAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123303151 431860629 /nfs/dbraw/zinc/86/06/29/431860629.db2.gz VPSSFQXCKZTWBD-ZFWWWQNUSA-N 1 0 302.418 3.113 10 0 DGAERO COc1cccc(C(=O)NCCC[NH+](C(C)C)C(C)C)c1F ZINC000089242057 431861588 /nfs/dbraw/zinc/86/15/88/431861588.db2.gz XHNLTEOXJGVMIL-UHFFFAOYSA-N 1 0 310.413 3.073 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)CCSc2ccc(F)cc2)CC[N@@H+]1C ZINC000123383924 431863117 /nfs/dbraw/zinc/86/31/17/431863117.db2.gz UYFFWHRQEOAKMQ-HIFRSBDPSA-N 1 0 324.465 3.249 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000042798295 431865162 /nfs/dbraw/zinc/86/51/62/431865162.db2.gz TWBSEZNSHYRNHT-INIZCTEOSA-N 1 0 305.466 3.285 10 0 DGAERO Cc1noc(CC[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)n1 ZINC000089517942 431868779 /nfs/dbraw/zinc/86/87/79/431868779.db2.gz PYPWISZWUGPMJY-CQSZACIVSA-N 1 0 321.808 3.386 10 0 DGAERO Cc1ccc(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000123620927 431870176 /nfs/dbraw/zinc/87/01/76/431870176.db2.gz MUUOJQZKMBCIRD-AEFFLSMTSA-N 1 0 302.462 3.177 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](c2cc(F)cc(F)c2)[C@@H]([NH3+])C1 ZINC000044136251 431871655 /nfs/dbraw/zinc/87/16/55/431871655.db2.gz BLUYDXOVUOLRBW-KGLIPLIRSA-N 1 0 312.360 3.017 10 0 DGAERO Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000084251693 431819422 /nfs/dbraw/zinc/81/94/22/431819422.db2.gz JRAFMUJCKGTVJX-UHFFFAOYSA-N 1 0 322.499 3.251 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084441058 431823430 /nfs/dbraw/zinc/82/34/30/431823430.db2.gz SUYZSNAYDDIPGK-AWEZNQCLSA-N 1 0 311.495 3.113 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000122262529 431823559 /nfs/dbraw/zinc/82/35/59/431823559.db2.gz YLTWVDSJLHNJNV-IRXDYDNUSA-N 1 0 318.461 3.440 10 0 DGAERO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2)C2CC2)s1 ZINC000036101264 431835482 /nfs/dbraw/zinc/83/54/82/431835482.db2.gz QKNMOZMABPUACH-MRXNPFEDSA-N 1 0 317.454 3.461 10 0 DGAERO CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1cccc(OC)c1 ZINC000036098211 431835592 /nfs/dbraw/zinc/83/55/92/431835592.db2.gz DJAZAKPJXVDNDA-MRXNPFEDSA-N 1 0 303.402 3.451 10 0 DGAERO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COC(C)C)c1 ZINC000036100325 431835664 /nfs/dbraw/zinc/83/56/64/431835664.db2.gz JFHXVBOMYUPTPM-SFHVURJKSA-N 1 0 323.477 3.329 10 0 DGAERO Cc1ccc(F)c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000122526492 431835887 /nfs/dbraw/zinc/83/58/87/431835887.db2.gz MLPBBSOKFKDLII-QGZVFWFLSA-N 1 0 300.377 3.167 10 0 DGAERO CCC[N@@H+](Cc1ccc(C)o1)C[C@@H](O)COc1ccccc1 ZINC000036097876 431835954 /nfs/dbraw/zinc/83/59/54/431835954.db2.gz JLSDTKXAPDTXPI-MRXNPFEDSA-N 1 0 303.402 3.240 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccc(C)cc2)[C@H](C)C1 ZINC000122563295 431837226 /nfs/dbraw/zinc/83/72/26/431837226.db2.gz JOUALZGJNBBSTH-WBVHZDCISA-N 1 0 320.502 3.276 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000092648726 431910765 /nfs/dbraw/zinc/91/07/65/431910765.db2.gz WLLVCVFJHHMDMN-UHFFFAOYSA-N 1 0 321.856 3.231 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092810877 431912245 /nfs/dbraw/zinc/91/22/45/431912245.db2.gz NXXMFIOXIVQWMX-UHFFFAOYSA-N 1 0 321.856 3.300 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1nnc(-c2ccccc2)o1 ZINC000125290841 431920033 /nfs/dbraw/zinc/92/00/33/431920033.db2.gz NGPLZNSSFQAKHF-CHWSQXEVSA-N 1 0 301.390 3.202 10 0 DGAERO c1nc(CN2CC[N@@H+]3CCCC[C@@H]3C2)sc1-c1ccccc1 ZINC000125290480 431920376 /nfs/dbraw/zinc/92/03/76/431920376.db2.gz SDNWAIHVJBRCEF-MRXNPFEDSA-N 1 0 313.470 3.480 10 0 DGAERO O=C(OCc1ccccc1)N1CCC2(CC[N@@H+](C3CC3)C2)CC1 ZINC000095077817 431921748 /nfs/dbraw/zinc/92/17/48/431921748.db2.gz HSZCOHXKBIJIMJ-UHFFFAOYSA-N 1 0 314.429 3.274 10 0 DGAERO CC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000125455465 431925080 /nfs/dbraw/zinc/92/50/80/431925080.db2.gz YCGYBWVUSXXVKB-CRAIPNDOSA-N 1 0 316.445 3.091 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(F)cc(F)c1 ZINC000089733198 431876221 /nfs/dbraw/zinc/87/62/21/431876221.db2.gz NUYGTOVTSDBERB-MLGOLLRUSA-N 1 0 318.371 3.074 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000089733031 431876296 /nfs/dbraw/zinc/87/62/96/431876296.db2.gz MIGCBGJEDNNJDK-UONOGXRCSA-N 1 0 316.474 3.420 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Cc1ccccc1 ZINC000044670931 431876462 /nfs/dbraw/zinc/87/64/62/431876462.db2.gz GDIMGGNXQCSMDA-LJQANCHMSA-N 1 0 322.452 3.492 10 0 DGAERO CC(C)[C@H](O)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000123883193 431876582 /nfs/dbraw/zinc/87/65/82/431876582.db2.gz QVOZPDAKGSRSKL-SWLSCSKDSA-N 1 0 301.377 3.216 10 0 DGAERO CC[C@H](C)n1ncc(C(=O)NC[C@H](C)[NH+](CC)CC)c1C1CC1 ZINC000089736697 431876824 /nfs/dbraw/zinc/87/68/24/431876824.db2.gz WYUUTEISNVLYAL-KBPBESRZSA-N 1 0 320.481 3.192 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1C ZINC000089733463 431877164 /nfs/dbraw/zinc/87/71/64/431877164.db2.gz QYKQYIPDJXRKTJ-SJORKVTESA-N 1 0 310.445 3.413 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000123989695 431880638 /nfs/dbraw/zinc/88/06/38/431880638.db2.gz VVKUWFPWZJTGMX-SUMWQHHRSA-N 1 0 317.408 3.395 10 0 DGAERO CN(Cc1ccccc1)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000045186452 431882542 /nfs/dbraw/zinc/88/25/42/431882542.db2.gz JOSTZNVALXPWKF-SFHVURJKSA-N 1 0 311.429 3.131 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000124180436 431885229 /nfs/dbraw/zinc/88/52/29/431885229.db2.gz HNCMSNGCNHBKQD-GOSISDBHSA-N 1 0 313.445 3.391 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000124247029 431886717 /nfs/dbraw/zinc/88/67/17/431886717.db2.gz JNVGTUPPFIBKHG-GOSISDBHSA-N 1 0 315.486 3.200 10 0 DGAERO c1csc(-c2noc(CCC[N@@H+]3CCCSCC3)n2)c1 ZINC000089979848 431887724 /nfs/dbraw/zinc/88/77/24/431887724.db2.gz RTQDQMIJGHGRRV-UHFFFAOYSA-N 1 0 309.460 3.170 10 0 DGAERO CCc1oc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000124270225 431888334 /nfs/dbraw/zinc/88/83/34/431888334.db2.gz BUTBCCNVEOLCHB-AWEZNQCLSA-N 1 0 306.450 3.392 10 0 DGAERO COc1ccccc1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124309223 431889981 /nfs/dbraw/zinc/88/99/81/431889981.db2.gz MWSIMPCXMWUUOP-BZUAXINKSA-N 1 0 318.461 3.130 10 0 DGAERO c1cc(-c2noc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)n2)co1 ZINC000124308012 431890099 /nfs/dbraw/zinc/89/00/99/431890099.db2.gz UPANDSNBTSHTGH-OAHLLOKOSA-N 1 0 309.369 3.394 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000124329638 431890960 /nfs/dbraw/zinc/89/09/60/431890960.db2.gz FSJPYLPYPYWALP-INIZCTEOSA-N 1 0 321.428 3.226 10 0 DGAERO Cc1cccc(CSCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124499443 431895389 /nfs/dbraw/zinc/89/53/89/431895389.db2.gz JYHHFXMIWIWZIG-WBVHZDCISA-N 1 0 320.502 3.169 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)ccc1F ZINC000090801588 431895919 /nfs/dbraw/zinc/89/59/19/431895919.db2.gz RPISWHGAFORLGH-UKRRQHHQSA-N 1 0 315.392 3.159 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000124512540 431896773 /nfs/dbraw/zinc/89/67/73/431896773.db2.gz DUPSDOYGNNPRFN-CJNGLKHVSA-N 1 0 320.864 3.313 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(N(C)C)n1)CCCO2 ZINC000090852280 431896920 /nfs/dbraw/zinc/89/69/20/431896920.db2.gz BZGMRSSWUYFCRC-QGZVFWFLSA-N 1 0 311.429 3.460 10 0 DGAERO CCCCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124537736 431897511 /nfs/dbraw/zinc/89/75/11/431897511.db2.gz JGLVXKGLMHVQAF-WBVHZDCISA-N 1 0 318.461 3.420 10 0 DGAERO Cc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c(C)n1C(C)C ZINC000046858743 431901790 /nfs/dbraw/zinc/90/17/90/431901790.db2.gz IKTUHTKKVJTVDV-CQSZACIVSA-N 1 0 305.466 3.290 10 0 DGAERO C[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1 ZINC000124743664 431903754 /nfs/dbraw/zinc/90/37/54/431903754.db2.gz HANKDABYYWFZES-CQSZACIVSA-N 1 0 314.404 3.307 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000124774410 431904287 /nfs/dbraw/zinc/90/42/87/431904287.db2.gz AAXQOOLLEJNARD-HNAYVOBHSA-N 1 0 310.441 3.323 10 0 DGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2ccsc2)C1 ZINC000054805584 431973602 /nfs/dbraw/zinc/97/36/02/431973602.db2.gz KVBVEZPVAXCOOG-CQSZACIVSA-N 1 0 323.506 3.100 10 0 DGAERO CC[C@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1cccc(O)c1 ZINC000055392775 431980878 /nfs/dbraw/zinc/98/08/78/431980878.db2.gz HVQVOPWETSBBEW-QGZVFWFLSA-N 1 0 303.377 3.304 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055023550 431975464 /nfs/dbraw/zinc/97/54/64/431975464.db2.gz XYIHVUBRNTUCLB-QGZVFWFLSA-N 1 0 306.425 3.091 10 0 DGAERO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)CCc1ccc(F)cc1 ZINC000055022931 431975721 /nfs/dbraw/zinc/97/57/21/431975721.db2.gz MVSIIJSYHNRZJR-AWEZNQCLSA-N 1 0 300.377 3.327 10 0 DGAERO O[C@@H](CSCc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000098143904 431979405 /nfs/dbraw/zinc/97/94/05/431979405.db2.gz YLLFYBJSBFRTCX-LJQANCHMSA-N 1 0 313.466 3.339 10 0 DGAERO Cc1ccc(-c2nc3ccc(C)c(C)n3c2N2CC[NH2+]CC2)cc1 ZINC000095935989 431927635 /nfs/dbraw/zinc/92/76/35/431927635.db2.gz RNXUAUPUCMWTAK-UHFFFAOYSA-N 1 0 320.440 3.336 10 0 DGAERO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cn3cccnc3n2)c1 ZINC000125544117 431929042 /nfs/dbraw/zinc/92/90/42/431929042.db2.gz KORYFRQZYBJVPJ-KRWDZBQOSA-N 1 0 310.376 3.076 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(Cl)sc1Cl ZINC000125603198 431931265 /nfs/dbraw/zinc/93/12/65/431931265.db2.gz HSMCVVWWQPSQMH-TVQRCGJNSA-N 1 0 324.273 3.495 10 0 DGAERO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc(Cl)n1 ZINC000125751880 431934972 /nfs/dbraw/zinc/93/49/72/431934972.db2.gz YHQKGFJMERVBID-HNNXBMFYSA-N 1 0 317.820 3.076 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CCS1 ZINC000126597405 431954174 /nfs/dbraw/zinc/95/41/74/431954174.db2.gz GBSXDRBLRPXHBN-YOEHRIQHSA-N 1 0 307.459 3.182 10 0 DGAERO CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCCO2 ZINC000126715368 431956106 /nfs/dbraw/zinc/95/61/06/431956106.db2.gz DZIBJPBBUAURCQ-NVXWUHKLSA-N 1 0 316.445 3.234 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000052554438 431956861 /nfs/dbraw/zinc/95/68/61/431956861.db2.gz FZAHOFAOEUYDTK-MRXNPFEDSA-N 1 0 302.805 3.373 10 0 DGAERO CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000052594036 431957668 /nfs/dbraw/zinc/95/76/68/431957668.db2.gz FPBPGYSCZLXAGV-DZGCQCFKSA-N 1 0 321.490 3.251 10 0 DGAERO CCc1ccsc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000053135874 431960922 /nfs/dbraw/zinc/96/09/22/431960922.db2.gz YROBACLGIDSONV-MRXNPFEDSA-N 1 0 316.470 3.213 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000091374808 280992646 /nfs/dbraw/zinc/99/26/46/280992646.db2.gz CZQSBYGJCPROSB-ICSRJNTNSA-N 1 0 322.456 3.495 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000054322198 431969805 /nfs/dbraw/zinc/96/98/05/431969805.db2.gz PGAWBQLPWOYFLG-DLBZAZTESA-N 1 0 324.509 3.303 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nccc3ccccc32)[C@H](C)C1 ZINC000127384385 431970550 /nfs/dbraw/zinc/97/05/50/431970550.db2.gz ZKZXOHUISKPOKL-RHSMWYFYSA-N 1 0 311.429 3.037 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCSc2ccccc2F)C1 ZINC000101564697 431986125 /nfs/dbraw/zinc/98/61/25/431986125.db2.gz LABRKGLUYHHJSF-CQSZACIVSA-N 1 0 324.465 3.299 10 0 DGAERO CCCC[C@@H](COC)[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000128180089 431989105 /nfs/dbraw/zinc/98/91/05/431989105.db2.gz RWVHHBOZIVPUFZ-KRWDZBQOSA-N 1 0 305.466 3.154 10 0 DGAERO CCCC[C@H](COC)[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000128180307 431989110 /nfs/dbraw/zinc/98/91/10/431989110.db2.gz RWVHHBOZIVPUFZ-QGZVFWFLSA-N 1 0 305.466 3.154 10 0 DGAERO CCCn1cc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)cn1 ZINC000128278754 431991803 /nfs/dbraw/zinc/99/18/03/431991803.db2.gz SOAAVHSLDMTYTH-LJQANCHMSA-N 1 0 312.461 3.394 10 0 DGAERO c1cnn(CCCCC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128318239 431992530 /nfs/dbraw/zinc/99/25/30/431992530.db2.gz ICIPTBVHEHXEFE-IRXDYDNUSA-N 1 0 301.438 3.023 10 0 DGAERO CCCn1ccnc1CCC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000191479671 432269771 /nfs/dbraw/zinc/26/97/71/432269771.db2.gz QKRHGIUCOSYLGB-IBGZPJMESA-N 1 0 315.461 3.065 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(-c4cccs4)on3)CC[C@H]21 ZINC000248122606 432270418 /nfs/dbraw/zinc/27/04/18/432270418.db2.gz NOWJWKWYVBBIST-UKRRQHHQSA-N 1 0 317.458 3.319 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc4ccccc4c3)CC[C@H]21 ZINC000248144411 432270717 /nfs/dbraw/zinc/27/07/17/432270717.db2.gz PYOYYQIBSGXDOP-VQTJNVASSA-N 1 0 322.452 3.325 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000183223522 432271199 /nfs/dbraw/zinc/27/11/99/432271199.db2.gz LMOBOYDLKTZEIZ-RNCFNFMXSA-N 1 0 317.216 3.089 10 0 DGAERO Cc1cc(C)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248144821 432271810 /nfs/dbraw/zinc/27/18/10/432271810.db2.gz ZFSASMWEPREFSL-MOPGFXCFSA-N 1 0 308.425 3.479 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000183230036 432272412 /nfs/dbraw/zinc/27/24/12/432272412.db2.gz FHLJRDNDBDEIDX-ABAIWWIYSA-N 1 0 307.340 3.358 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(SC)cc1)CC2 ZINC000173397155 432275583 /nfs/dbraw/zinc/27/55/83/432275583.db2.gz CURIIPTZQPYGSX-OCCSQVGLSA-N 1 0 316.474 3.228 10 0 DGAERO Cc1nc2cc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2o1 ZINC000248215854 432276069 /nfs/dbraw/zinc/27/60/69/432276069.db2.gz ZQOXJYGJTWNFTN-FZMZJTMJSA-N 1 0 316.405 3.083 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](CCCOCCc1ccccc1)CC2 ZINC000248217513 432276170 /nfs/dbraw/zinc/27/61/70/432276170.db2.gz ZXHKMPPXGLHYPW-PMACEKPBSA-N 1 0 317.473 3.263 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(C)c(C)s1 ZINC000248235429 432277368 /nfs/dbraw/zinc/27/73/68/432277368.db2.gz SHTAPCXQZNQINW-MCIONIFRSA-N 1 0 308.447 3.066 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000151816378 432278741 /nfs/dbraw/zinc/27/87/41/432278741.db2.gz YBHFEHZDHIEOCS-CWQOZTLDSA-N 1 0 304.478 3.288 10 0 DGAERO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1cccc(F)c1F ZINC000183296659 432279606 /nfs/dbraw/zinc/27/96/06/432279606.db2.gz GELAUKVRHWNSFB-NSHDSACASA-N 1 0 324.396 3.497 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(F)cc2F)[C@@H](C)C1 ZINC000248356771 432280077 /nfs/dbraw/zinc/28/00/77/432280077.db2.gz OSUWPCUUJUWANZ-LRDDRELGSA-N 1 0 310.388 3.076 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1F ZINC000183298691 432280513 /nfs/dbraw/zinc/28/05/13/432280513.db2.gz VZKKBTNUMNIPMR-QWHCGFSZSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccnc2)[C@H]2CCCC[C@@H]12 ZINC000248375986 432282536 /nfs/dbraw/zinc/28/25/36/432282536.db2.gz ZADPZMMIBAGZPH-JLSDUUJJSA-N 1 0 310.445 3.493 10 0 DGAERO CCOCC[N@@H+]1CCN(Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC000248394380 432284999 /nfs/dbraw/zinc/28/49/99/432284999.db2.gz NFTFQBOQSPJIAG-CQSZACIVSA-N 1 0 312.404 3.167 10 0 DGAERO Cc1ccc2[nH]cc(CCC(=O)N(CC[NH+](C)C)C(C)C)c2c1 ZINC000151883748 432285035 /nfs/dbraw/zinc/28/50/35/432285035.db2.gz LOSAKPLZHLIWDS-UHFFFAOYSA-N 1 0 315.461 3.208 10 0 DGAERO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000248396276 432285085 /nfs/dbraw/zinc/28/50/85/432285085.db2.gz KBXQVIFBEATCBL-JQFCIGGWSA-N 1 0 306.425 3.260 10 0 DGAERO C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)cc1F ZINC000151884180 432285441 /nfs/dbraw/zinc/28/54/41/432285441.db2.gz VRYKEBGDEYMMJJ-ZBEGNZNMSA-N 1 0 305.372 3.469 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)[C@H]2CCCO[C@H]21 ZINC000248402906 432287663 /nfs/dbraw/zinc/28/76/63/432287663.db2.gz WPFQHNNIPPDMAG-BHIYHBOVSA-N 1 0 323.440 3.437 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000248427486 432290433 /nfs/dbraw/zinc/29/04/33/432290433.db2.gz PLKFANCYPUXFEB-HRCADAONSA-N 1 0 302.466 3.298 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000248447024 432291445 /nfs/dbraw/zinc/29/14/45/432291445.db2.gz NEKVVHLFJSHSAK-QYHDQYMBSA-N 1 0 302.418 3.109 10 0 DGAERO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccc2c[nH]nc2c1)Cc1ccccc1 ZINC000191722004 432294631 /nfs/dbraw/zinc/29/46/31/432294631.db2.gz NCIVHEAQJVTBOS-FOIQADDNSA-N 1 0 323.440 3.282 10 0 DGAERO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000248455965 432295021 /nfs/dbraw/zinc/29/50/21/432295021.db2.gz MXDJSJARPCJBPH-SNRMKQJTSA-N 1 0 308.425 3.352 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000191754376 432297306 /nfs/dbraw/zinc/29/73/06/432297306.db2.gz YZMWECJXTVUXQS-TVQRCGJNSA-N 1 0 302.187 3.103 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](CCCSCC(C)C)C1 ZINC000152057097 432300758 /nfs/dbraw/zinc/30/07/58/432300758.db2.gz APAQZNJNITXQJY-HNNXBMFYSA-N 1 0 310.511 3.257 10 0 DGAERO c1ncn(C[C@@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)n1 ZINC000128479182 431994615 /nfs/dbraw/zinc/99/46/15/431994615.db2.gz ICHQHKOOBFFVBL-CQSZACIVSA-N 1 0 312.442 3.405 10 0 DGAERO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1F ZINC000102907533 431999807 /nfs/dbraw/zinc/99/98/07/431999807.db2.gz XITHQSJAKLPKOG-KRWDZBQOSA-N 1 0 300.377 3.167 10 0 DGAERO C[C@@H]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000248050544 432262883 /nfs/dbraw/zinc/26/28/83/432262883.db2.gz NSSCZZWJIQCRIL-YEWFCNIMSA-N 1 0 300.446 3.374 10 0 DGAERO CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000248052136 432263205 /nfs/dbraw/zinc/26/32/05/432263205.db2.gz NWYWMMJDDQITLW-ZWKOTPCHSA-N 1 0 315.461 3.406 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccn3c2)[C@H]1c1ccccc1 ZINC000248052295 432263933 /nfs/dbraw/zinc/26/39/33/432263933.db2.gz NYIJMDSDGMNYTR-RTBURBONSA-N 1 0 319.408 3.115 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCCO1 ZINC000183201605 432268102 /nfs/dbraw/zinc/26/81/02/432268102.db2.gz GOOPCEZHRKWUHW-HNAYVOBHSA-N 1 0 324.424 3.449 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)CCc2ccsc2)[C@H]1c1ccccc1 ZINC000248120430 432268789 /nfs/dbraw/zinc/26/87/89/432268789.db2.gz UDGJYHXIKYDYRF-FUHWJXTLSA-N 1 0 314.454 3.242 10 0 DGAERO CCNc1ccc(Cl)cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000174536957 432354988 /nfs/dbraw/zinc/35/49/88/432354988.db2.gz ZFKMXFGPLPVWGM-AWEZNQCLSA-N 1 0 323.868 3.328 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000174110024 432321425 /nfs/dbraw/zinc/32/14/25/432321425.db2.gz INMGIFPJQNJCPS-ROUUACIJSA-N 1 0 306.494 3.441 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)CCCc2ccc(C)cc2)C1 ZINC000174135734 432322665 /nfs/dbraw/zinc/32/26/65/432322665.db2.gz VHFBZEPEJURIEM-SFHVURJKSA-N 1 0 302.462 3.260 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(Cl)cc1 ZINC000174198021 432328722 /nfs/dbraw/zinc/32/87/22/432328722.db2.gz SUHQVRKPOHRCJM-CJNGLKHVSA-N 1 0 318.852 3.393 10 0 DGAERO CN(CCCOc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000152373633 432329279 /nfs/dbraw/zinc/32/92/79/432329279.db2.gz OBBCBRYAAOTQRH-ZFWWWQNUSA-N 1 0 324.852 3.085 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000192127808 432334689 /nfs/dbraw/zinc/33/46/89/432334689.db2.gz AMONHIGUOKOMBC-SKDRFNHKSA-N 1 0 305.752 3.456 10 0 DGAERO C[C@H]1CN(C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CCO1 ZINC000183928307 432334918 /nfs/dbraw/zinc/33/49/18/432334918.db2.gz RTGJBDLLLMKMSK-AWEZNQCLSA-N 1 0 324.415 3.309 10 0 DGAERO CSCc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1F ZINC000174283884 432335099 /nfs/dbraw/zinc/33/50/99/432335099.db2.gz DEFYAUPEZCOTES-WBMJQRKESA-N 1 0 324.465 3.101 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000249057603 432335866 /nfs/dbraw/zinc/33/58/66/432335866.db2.gz PDUZMZKVRWCVGU-DABQJJPHSA-N 1 0 317.351 3.361 10 0 DGAERO C[C@H](CCSc1ccccc1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249048067 432335946 /nfs/dbraw/zinc/33/59/46/432335946.db2.gz WHNGMKMOTXCKNW-WBVHZDCISA-N 1 0 307.459 3.049 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000249730923 432355455 /nfs/dbraw/zinc/35/54/55/432355455.db2.gz TUPWRFJLXCGTNR-ZWKOTPCHSA-N 1 0 305.462 3.260 10 0 DGAERO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)C1CCCCC1 ZINC000249081277 432337446 /nfs/dbraw/zinc/33/74/46/432337446.db2.gz MOOANBWDGJOUPC-QFBILLFUSA-N 1 0 305.462 3.201 10 0 DGAERO CCCc1noc(CN2CCN(c3ccccc3)C[C@@H]2CC)n1 ZINC000184007220 432344716 /nfs/dbraw/zinc/34/47/16/432344716.db2.gz AYEMZTCTEOGHHZ-HNNXBMFYSA-N 1 0 314.433 3.123 10 0 DGAERO COC(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)OC ZINC000249300377 432344757 /nfs/dbraw/zinc/34/47/57/432344757.db2.gz CBLUSKKTBSCTOM-UONOGXRCSA-N 1 0 313.463 3.035 10 0 DGAERO COc1ccc(C)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174410033 432345022 /nfs/dbraw/zinc/34/50/22/432345022.db2.gz PBFHIYHUFOXPOZ-GOOCMWNKSA-N 1 0 317.433 3.140 10 0 DGAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000249416747 432347177 /nfs/dbraw/zinc/34/71/77/432347177.db2.gz WIDMZBOFGNMXPA-HUUCEWRRSA-N 1 0 317.351 3.240 10 0 DGAERO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174457007 432348366 /nfs/dbraw/zinc/34/83/66/432348366.db2.gz FUODCUMDNHGVCW-GOOCMWNKSA-N 1 0 317.433 3.222 10 0 DGAERO Cc1cccc(-c2noc(C[N@@H+](C)[C@@]3(CO)CC[C@@H](C)C3)n2)c1 ZINC000249596747 432352932 /nfs/dbraw/zinc/35/29/32/432352932.db2.gz XAYNPOQRSHKUAU-KDOFPFPSSA-N 1 0 315.417 3.028 10 0 DGAERO CC[C@H]([NH2+][C@H](C)c1nnc(-c2ccccc2)o1)[C@H]1CCCO1 ZINC000248595232 432305636 /nfs/dbraw/zinc/30/56/36/432305636.db2.gz MEJQUMAATOSIPJ-VHDGCEQUSA-N 1 0 301.390 3.345 10 0 DGAERO Clc1ccc(-c2noc(CC[NH2+][C@@H]3CCCSC3)n2)cc1 ZINC000183598915 432306204 /nfs/dbraw/zinc/30/62/04/432306204.db2.gz RATJNEHEXWMVGN-CYBMUJFWSA-N 1 0 323.849 3.418 10 0 DGAERO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H]2Cc3ccccc3[C@@H]2O)o1 ZINC000248613952 432306292 /nfs/dbraw/zinc/30/62/92/432306292.db2.gz JKTCZRFTJKYEOH-LNLFQRSKSA-N 1 0 313.397 3.221 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000183602490 432307800 /nfs/dbraw/zinc/30/78/00/432307800.db2.gz MLEPLVDIVRPDRR-MWLCHTKSSA-N 1 0 321.412 3.385 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(CC)o2)C12CCOCC2 ZINC000248624699 432308466 /nfs/dbraw/zinc/30/84/66/432308466.db2.gz COFWXJKRJCLPPW-XOKHGSTOSA-N 1 0 307.434 3.467 10 0 DGAERO CCC(CC)(CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000173918033 432309194 /nfs/dbraw/zinc/30/91/94/432309194.db2.gz CURBTKVKVBUEJS-KRWDZBQOSA-N 1 0 317.477 3.090 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)s1 ZINC000183616664 432309159 /nfs/dbraw/zinc/30/91/59/432309159.db2.gz WLCJKIJTKRBSEA-SNVBAGLBSA-N 1 0 308.369 3.206 10 0 DGAERO CC(C)c1csc([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)n1 ZINC000173946089 432310248 /nfs/dbraw/zinc/31/02/48/432310248.db2.gz BQJOKZCVLVTUJC-AWEZNQCLSA-N 1 0 323.506 3.313 10 0 DGAERO CCO[C@@H]1C[C@@H](Nc2cc(C)nc(C3CC3)n2)C12CCOCC2 ZINC000184105896 432354748 /nfs/dbraw/zinc/35/47/48/432354748.db2.gz YBPBIJHCZLVXTR-HUUCEWRRSA-N 1 0 317.433 3.049 10 0 DGAERO Cc1nnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)n1C1CC1 ZINC000191886408 432312180 /nfs/dbraw/zinc/31/21/80/432312180.db2.gz QXYXJBSQFMSLMO-AEFFLSMTSA-N 1 0 310.445 3.422 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)s1 ZINC000183657710 432313327 /nfs/dbraw/zinc/31/33/27/432313327.db2.gz ABWFRBCTCUXDGJ-MNOVXSKESA-N 1 0 322.396 3.453 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)s1 ZINC000248706574 432313492 /nfs/dbraw/zinc/31/34/92/432313492.db2.gz ABWFRBCTCUXDGJ-WDEREUQCSA-N 1 0 322.396 3.453 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)c2cnn(C)c2C)s1 ZINC000183670596 432313967 /nfs/dbraw/zinc/31/39/67/432313967.db2.gz FHOHJQPLAMETTN-SSDOTTSWSA-N 1 0 318.368 3.363 10 0 DGAERO Cn1c2ccccc2nc1N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248737621 432314301 /nfs/dbraw/zinc/31/43/01/432314301.db2.gz OPSGGHRWQKQORK-AEFFLSMTSA-N 1 0 306.413 3.431 10 0 DGAERO CSCc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248735681 432315314 /nfs/dbraw/zinc/31/53/14/432315314.db2.gz OSAVCECZJFWIFS-HIFRSBDPSA-N 1 0 319.474 3.250 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)s1 ZINC000248748893 432315709 /nfs/dbraw/zinc/31/57/09/432315709.db2.gz TXXWCIAHQXCXLI-WDEREUQCSA-N 1 0 320.380 3.471 10 0 DGAERO Cc1ccn(C)c1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000251936431 432373351 /nfs/dbraw/zinc/37/33/51/432373351.db2.gz UHITUGLMAACABU-IAGOWNOFSA-N 1 0 317.477 3.060 10 0 DGAERO Cc1cc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c(C)s1 ZINC000252390830 432374793 /nfs/dbraw/zinc/37/47/93/432374793.db2.gz OXUQCZKZLZQBBO-YUDUHTQSSA-N 1 0 306.475 3.463 10 0 DGAERO COC(=O)C1CCC([NH2+]CCc2c[nH]c3cccc(C)c23)CC1 ZINC000192441693 432375300 /nfs/dbraw/zinc/37/53/00/432375300.db2.gz JMHFCLSNAINCDW-UHFFFAOYSA-N 1 0 314.429 3.340 10 0 DGAERO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccccn1 ZINC000192473925 432377887 /nfs/dbraw/zinc/37/78/87/432377887.db2.gz FMUBDCPHOFIWNG-HZPDHXFCSA-N 1 0 314.429 3.296 10 0 DGAERO Cc1nnc([C@@H](N[C@H](C)c2cncc(C)c2)c2ccccc2)[nH]1 ZINC000184339884 432381531 /nfs/dbraw/zinc/38/15/31/432381531.db2.gz MLRBLZQYWDJZOM-DYVFJYSZSA-N 1 0 307.401 3.257 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)c1ccccc1 ZINC000174996216 432387410 /nfs/dbraw/zinc/38/74/10/432387410.db2.gz SZBLCXNBQLZFBB-QZTJIDSGSA-N 1 0 314.473 3.440 10 0 DGAERO Cn1c2ccc(C[NH2+]C/C=C/c3ccccc3)cc2sc1=O ZINC000192569933 432389016 /nfs/dbraw/zinc/38/90/16/432389016.db2.gz KGNBNCAVKTWONT-VMPITWQZSA-N 1 0 310.422 3.403 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)Cc1ccccc1F ZINC000174999247 432389242 /nfs/dbraw/zinc/38/92/42/432389242.db2.gz UBNFWLQNIPOAKT-USXIJHARSA-N 1 0 318.436 3.090 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000253355664 432390963 /nfs/dbraw/zinc/39/09/63/432390963.db2.gz GFFWPMBJYRGIMR-XOIINTDNSA-N 1 0 319.445 3.376 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000184422397 432391057 /nfs/dbraw/zinc/39/10/57/432391057.db2.gz UMHOJICYLDAJLV-CABCVRRESA-N 1 0 307.401 3.383 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000153305811 432399046 /nfs/dbraw/zinc/39/90/46/432399046.db2.gz IKFDBUYAKLGRKP-UHFFFAOYSA-N 1 0 318.314 3.011 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)c1cccs1 ZINC000192677285 432399866 /nfs/dbraw/zinc/39/98/66/432399866.db2.gz NKWMSKJHXJSLKT-KGLIPLIRSA-N 1 0 302.443 3.446 10 0 DGAERO OCc1ccc(C[NH2+][C@H]2CCCNc3ccccc32)cc1F ZINC000192724604 432405584 /nfs/dbraw/zinc/40/55/84/432405584.db2.gz BMKLEHUVMUOBIA-SFHVURJKSA-N 1 0 300.377 3.355 10 0 DGAERO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000249922084 432362195 /nfs/dbraw/zinc/36/21/95/432362195.db2.gz ZCCNTVVEUUUYOY-ZIAGYGMSSA-N 1 0 323.506 3.190 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)NC1CCCCC1 ZINC000192362013 432365236 /nfs/dbraw/zinc/36/52/36/432365236.db2.gz IASFNXKGHDLKGX-DYVFJYSZSA-N 1 0 316.445 3.197 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1O ZINC000250132201 432366452 /nfs/dbraw/zinc/36/64/52/432366452.db2.gz XHODKWSLUBWGEC-FZKQIMNGSA-N 1 0 300.377 3.090 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ncc(C(C)C)s1 ZINC000192399543 432369992 /nfs/dbraw/zinc/36/99/92/432369992.db2.gz WNQRPEBISPCTRO-QWHCGFSZSA-N 1 0 322.478 3.357 10 0 DGAERO O=C(NC1CC1)[C@H]([NH2+]CCc1ccsc1)c1ccc(F)cc1 ZINC000152950280 432370058 /nfs/dbraw/zinc/37/00/58/432370058.db2.gz INLPVUKBXLSKHC-MRXNPFEDSA-N 1 0 318.417 3.039 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000174780725 432370581 /nfs/dbraw/zinc/37/05/81/432370581.db2.gz YIYQYTMLGWURAW-VQIMIIECSA-N 1 0 312.461 3.034 10 0 DGAERO CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000184754210 432428840 /nfs/dbraw/zinc/42/88/40/432428840.db2.gz GPGBKMHXOHRMEL-SJLPKXTDSA-N 1 0 322.493 3.059 10 0 DGAERO CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000184754189 432429728 /nfs/dbraw/zinc/42/97/28/432429728.db2.gz GPGBKMHXOHRMEL-WMZOPIPTSA-N 1 0 322.493 3.059 10 0 DGAERO CC(C)C[C@H](C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000184756590 432430274 /nfs/dbraw/zinc/43/02/74/432430274.db2.gz DGNTUBHVZPBLFT-HKUYNNGSSA-N 1 0 316.489 3.349 10 0 DGAERO CC(C)C[C@H](C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000184756622 432430621 /nfs/dbraw/zinc/43/06/21/432430621.db2.gz DGNTUBHVZPBLFT-PKOBYXMFSA-N 1 0 316.489 3.349 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](O)COC[C@@H]2CCCO2)cc1 ZINC000192936001 432431137 /nfs/dbraw/zinc/43/11/37/432431137.db2.gz SCHBAYXPSVJYQV-SNRMKQJTSA-N 1 0 321.461 3.017 10 0 DGAERO c1ccc2c(c1)nc(C[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)n2C1CC1 ZINC000184779778 432431508 /nfs/dbraw/zinc/43/15/08/432431508.db2.gz WOERWJXTZKRCEO-KYNGSXCRSA-N 1 0 323.440 3.418 10 0 DGAERO CC(C)Oc1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261623720 432434157 /nfs/dbraw/zinc/43/41/57/432434157.db2.gz DFZJJUWDQDLSEJ-LJQANCHMSA-N 1 0 311.429 3.015 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000192985516 432437580 /nfs/dbraw/zinc/43/75/80/432437580.db2.gz AGJNESBQBQKAAP-UHFFFAOYSA-N 1 0 317.408 3.157 10 0 DGAERO CCc1ccc([C@H](COC)[NH2+]C[C@](C)(O)c2ccccc2)o1 ZINC000184840688 432438114 /nfs/dbraw/zinc/43/81/14/432438114.db2.gz OFELFPSALDXXDC-WMZOPIPTSA-N 1 0 303.402 3.027 10 0 DGAERO Cc1cc(C)cc(OCCc2nc(C3([NH3+])CCCC3)no2)c1 ZINC000261657417 432438787 /nfs/dbraw/zinc/43/87/87/432438787.db2.gz FJABMPWIDBJCPT-UHFFFAOYSA-N 1 0 301.390 3.036 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000184855712 432439833 /nfs/dbraw/zinc/43/98/33/432439833.db2.gz MFNSQQARZRVMTO-MSOLQXFVSA-N 1 0 300.446 3.191 10 0 DGAERO CN(C(=O)[C@H]1CCSc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261685563 432440035 /nfs/dbraw/zinc/44/00/35/432440035.db2.gz CCSNDOUSPOCRES-DXBFTMOHSA-N 1 0 316.470 3.007 10 0 DGAERO C[NH2+][C@@H](C)Cc1noc(-c2sc(C3CCCC3)nc2C)n1 ZINC000261683540 432440919 /nfs/dbraw/zinc/44/09/19/432440919.db2.gz GZHCSOHWMQGTJY-VIFPVBQESA-N 1 0 306.435 3.310 10 0 DGAERO Fc1cccc(OCc2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)c1 ZINC000261677287 432441081 /nfs/dbraw/zinc/44/10/81/432441081.db2.gz AAIHCNZWWPWXGB-UGFHNGPFSA-N 1 0 317.364 3.381 10 0 DGAERO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261673292 432441244 /nfs/dbraw/zinc/44/12/44/432441244.db2.gz AFCHABPSTGLCHC-NVXWUHKLSA-N 1 0 306.475 3.001 10 0 DGAERO CC(C)CC[C@@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193038308 432442600 /nfs/dbraw/zinc/44/26/00/432442600.db2.gz WSOJIVVXMSIXRF-MRXNPFEDSA-N 1 0 309.498 3.329 10 0 DGAERO CC1CC[NH+](CCCCNC(=O)N2C[C@@H](C)CC[C@H]2C)CC1 ZINC000175511429 432444140 /nfs/dbraw/zinc/44/41/40/432444140.db2.gz OEJWLKOYOMBQJD-DLBZAZTESA-N 1 0 309.498 3.329 10 0 DGAERO COc1ccc(Cc2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)cc1 ZINC000261725383 432444700 /nfs/dbraw/zinc/44/47/00/432444700.db2.gz MKKFYIJAOKLCBW-KBMXLJTQSA-N 1 0 313.401 3.262 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000184922826 432445457 /nfs/dbraw/zinc/44/54/57/432445457.db2.gz DUUXRYDCEAUIHK-ZNMIVQPWSA-N 1 0 306.475 3.293 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000261737709 432446627 /nfs/dbraw/zinc/44/66/27/432446627.db2.gz YYQSXDVQBXLELP-SEIQEZOWSA-N 1 0 304.478 3.225 10 0 DGAERO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000153840173 432448703 /nfs/dbraw/zinc/44/87/03/432448703.db2.gz UWAFWVIXJWSWKL-KRWDZBQOSA-N 1 0 316.445 3.109 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC000184961013 432448746 /nfs/dbraw/zinc/44/87/46/432448746.db2.gz KFIPQUAFJKRJJU-JKSUJKDBSA-N 1 0 315.461 3.059 10 0 DGAERO CC(C)=C(F)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000153836591 432449002 /nfs/dbraw/zinc/44/90/02/432449002.db2.gz PMCKDSYVXOZIHF-MRXNPFEDSA-N 1 0 304.409 3.230 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1cc(Cl)cs1)CC2 ZINC000193092238 432449111 /nfs/dbraw/zinc/44/91/11/432449111.db2.gz UTGOTRVXWZPQNP-LLVKDONJSA-N 1 0 310.854 3.221 10 0 DGAERO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000153865363 432449974 /nfs/dbraw/zinc/44/99/74/432449974.db2.gz QBAPENUZYPZCKX-AWEZNQCLSA-N 1 0 300.402 3.096 10 0 DGAERO Cc1nc2ccc(CN3CC[NH2+]C[C@H]3c3cccnc3)cc2s1 ZINC000261786085 432450088 /nfs/dbraw/zinc/45/00/88/432450088.db2.gz FWKIONKZHRRARD-KRWDZBQOSA-N 1 0 324.453 3.146 10 0 DGAERO CN(C(=O)CCc1cc(Cl)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261796156 432450591 /nfs/dbraw/zinc/45/05/91/432450591.db2.gz LIWXUROUBDTUIM-FUNVUKJBSA-N 1 0 312.866 3.076 10 0 DGAERO CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261789902 432451383 /nfs/dbraw/zinc/45/13/83/432451383.db2.gz KUBYJPHFUHGROG-ALILYOIUSA-N 1 0 318.848 3.185 10 0 DGAERO Cc1nc2ccc(CN3CC[NH2+]C[C@@H]3c3cccnc3)cc2s1 ZINC000261786091 432451441 /nfs/dbraw/zinc/45/14/41/432451441.db2.gz FWKIONKZHRRARD-QGZVFWFLSA-N 1 0 324.453 3.146 10 0 DGAERO COc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000153882860 432452294 /nfs/dbraw/zinc/45/22/94/432452294.db2.gz WYVIDAOEYWJHPV-HNNXBMFYSA-N 1 0 318.461 3.068 10 0 DGAERO [NH3+]C1(c2noc([C@@H]3C[C@@H]3c3cc(F)ccc3F)n2)CCCC1 ZINC000261810105 432452376 /nfs/dbraw/zinc/45/23/76/432452376.db2.gz PTIMTOLIGWSHRW-ZYHUDNBSSA-N 1 0 305.328 3.347 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)cc2Cl)cn1 ZINC000184999897 432453362 /nfs/dbraw/zinc/45/33/62/432453362.db2.gz MOBNAIVLDWXEPM-HOTGVXAUSA-N 1 0 323.799 3.083 10 0 DGAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000261844022 432454131 /nfs/dbraw/zinc/45/41/31/432454131.db2.gz CUIFOPFAUIAWJX-LRDDRELGSA-N 1 0 303.381 3.182 10 0 DGAERO CC(C)N1C[C@H]([NH2+]Cc2cnc(-c3ccco3)s2)[C@@H](C)C1 ZINC000193147752 432454351 /nfs/dbraw/zinc/45/43/51/432454351.db2.gz NGZSTVFLYOZETR-JSGCOSHPSA-N 1 0 305.447 3.221 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)on2)cn1 ZINC000185009797 432455499 /nfs/dbraw/zinc/45/54/99/432455499.db2.gz AVXGFJZCVAHFSA-INIZCTEOSA-N 1 0 322.412 3.140 10 0 DGAERO Cn1cc(-c2cc(C[N@H+](C)C3CCC(C)(C)CC3)on2)cn1 ZINC000185022066 432456775 /nfs/dbraw/zinc/45/67/75/432456775.db2.gz WNIUVTYEJAFSLP-UHFFFAOYSA-N 1 0 302.422 3.476 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717129 432458439 /nfs/dbraw/zinc/45/84/39/432458439.db2.gz NWSJHQPZHGEWLB-CJNGLKHVSA-N 1 0 320.868 3.150 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000124099087 281692981 /nfs/dbraw/zinc/69/29/81/281692981.db2.gz OSXOBCTWYNIZMC-GOSISDBHSA-N 1 0 311.429 3.184 10 0 DGAERO CC[C@@H]1CN(Cc2ncc(-c3cccc(F)c3)o2)C[C@H](C)O1 ZINC000175221971 432412352 /nfs/dbraw/zinc/41/23/52/432412352.db2.gz JUCLESBJBHXQOX-SWLSCSKDSA-N 1 0 304.365 3.480 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@@H+]([C@@H](C)c3cnccn3)C2)c1 ZINC000184609729 432413498 /nfs/dbraw/zinc/41/34/98/432413498.db2.gz JXQKVFSCKNSTAI-KBPBESRZSA-N 1 0 313.401 3.044 10 0 DGAERO CC[C@H]1C[N@H+](Cc2cccc3cccnc32)CCN1CC(F)F ZINC000153485125 432414207 /nfs/dbraw/zinc/41/42/07/432414207.db2.gz FXYLKMYHNDPYIN-INIZCTEOSA-N 1 0 319.399 3.396 10 0 DGAERO CCCC[C@H](CC)C[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@@H]23 ZINC000256047948 432414622 /nfs/dbraw/zinc/41/46/22/432414622.db2.gz PPBZFSFNWRZFET-FRQCXROJSA-N 1 0 314.473 3.446 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(Cl)cc1 ZINC000192811581 432416193 /nfs/dbraw/zinc/41/61/93/432416193.db2.gz ZFOZQWCBJGERDJ-BBRMVZONSA-N 1 0 316.836 3.450 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000184644502 432416258 /nfs/dbraw/zinc/41/62/58/432416258.db2.gz LRKCEOUIHBMVSO-CYBMUJFWSA-N 1 0 315.417 3.110 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184651643 432416758 /nfs/dbraw/zinc/41/67/58/432416758.db2.gz WPECJFVTJPZFLT-NSHDSACASA-N 1 0 310.825 3.455 10 0 DGAERO Cc1cccc([C@H](C)CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175271001 432418349 /nfs/dbraw/zinc/41/83/49/432418349.db2.gz VZZZXVPOLVFCES-JFIYKMOQSA-N 1 0 317.477 3.223 10 0 DGAERO CCc1oc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000153546646 432419236 /nfs/dbraw/zinc/41/92/36/432419236.db2.gz KJMZXASIKILVRG-GOEBONIOSA-N 1 0 316.445 3.239 10 0 DGAERO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](C)CC(C)C)CC1 ZINC000184726975 432425638 /nfs/dbraw/zinc/42/56/38/432425638.db2.gz BHRMFLIEEOVGAB-AWEZNQCLSA-N 1 0 306.454 3.161 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000185156624 432471533 /nfs/dbraw/zinc/47/15/33/432471533.db2.gz QQNYILUUCQFAHD-SJORKVTESA-N 1 0 306.425 3.008 10 0 DGAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000175855825 432471964 /nfs/dbraw/zinc/47/19/64/432471964.db2.gz YEMIPHDDWHEUNC-QGZVFWFLSA-N 1 0 323.820 3.477 10 0 DGAERO CN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262092327 432473130 /nfs/dbraw/zinc/47/31/30/432473130.db2.gz YPNAYNXDPMAEOI-PRBRELNKSA-N 1 0 324.468 3.022 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccncc3)C2)c1 ZINC000154153368 432476241 /nfs/dbraw/zinc/47/62/41/432476241.db2.gz JZIRDCGBLFRNFE-CVEARBPZSA-N 1 0 311.429 3.267 10 0 DGAERO Cc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1F ZINC000154145249 432476657 /nfs/dbraw/zinc/47/66/57/432476657.db2.gz VSKNNDPXCGOYDN-HNNXBMFYSA-N 1 0 304.409 3.225 10 0 DGAERO CSc1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262205196 432478461 /nfs/dbraw/zinc/47/84/61/432478461.db2.gz DLDXVOPECJQRAR-KWOWKCNFSA-N 1 0 318.486 3.178 10 0 DGAERO CCC1(CC)C[N@H+](CCCOCc2ccccc2)CC[S@@]1=O ZINC000185248325 432483118 /nfs/dbraw/zinc/48/31/18/432483118.db2.gz MNUKJRSJMKNLCH-QFIPXVFZSA-N 1 0 323.502 3.216 10 0 DGAERO CC[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000262366112 432483174 /nfs/dbraw/zinc/48/31/74/432483174.db2.gz JJDCPFSPHABRFT-YQQAZPJKSA-N 1 0 302.462 3.247 10 0 DGAERO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000175980425 432484296 /nfs/dbraw/zinc/48/42/96/432484296.db2.gz LBGBVUCZODJZJP-JKSUJKDBSA-N 1 0 317.477 3.228 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000262416285 432484666 /nfs/dbraw/zinc/48/46/66/432484666.db2.gz PYDGRJUUBOEMIN-FFZOFVMBSA-N 1 0 322.452 3.475 10 0 DGAERO Cc1cc(C)n2c(C[N@H+](C)CCCc3ccccc3)cnc2n1 ZINC000154245874 432484943 /nfs/dbraw/zinc/48/49/43/432484943.db2.gz JWPHZXUILRDTTE-UHFFFAOYSA-N 1 0 308.429 3.411 10 0 DGAERO C[C@](CO)([NH2+]Cc1cnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000175998052 432485734 /nfs/dbraw/zinc/48/57/34/432485734.db2.gz SRESFPSWLSIPGS-LJQANCHMSA-N 1 0 313.445 3.498 10 0 DGAERO CC(=O)N(C)C1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000185279868 432486409 /nfs/dbraw/zinc/48/64/09/432486409.db2.gz ZUHIMEJJJRDYGS-UHFFFAOYSA-N 1 0 311.429 3.299 10 0 DGAERO CC(=O)NC[C@H]1CCCN(c2c(C)c[nH+]c3c(C)cccc32)C1 ZINC000185281968 432486725 /nfs/dbraw/zinc/48/67/25/432486725.db2.gz JCQGEOCIFKPYCQ-MRXNPFEDSA-N 1 0 311.429 3.204 10 0 DGAERO O=C(Nc1ccc(OCC2CC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262485106 432487525 /nfs/dbraw/zinc/48/75/25/432487525.db2.gz TXFANPUJAUSMEM-JLSDUUJJSA-N 1 0 314.429 3.335 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@H](CO)CC(C)C ZINC000185325777 432491435 /nfs/dbraw/zinc/49/14/35/432491435.db2.gz SSSBFRRHVHLHCK-INIZCTEOSA-N 1 0 320.477 3.396 10 0 DGAERO CNC(=O)CC1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000185335383 432491526 /nfs/dbraw/zinc/49/15/26/432491526.db2.gz IZEXJFDQODWJSQ-UHFFFAOYSA-N 1 0 311.429 3.204 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000262551103 432491609 /nfs/dbraw/zinc/49/16/09/432491609.db2.gz SKCRZXJKDKAFNS-HYSWKAIVSA-N 1 0 322.836 3.119 10 0 DGAERO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@@H](CO)CC(C)C ZINC000185353098 432494583 /nfs/dbraw/zinc/49/45/83/432494583.db2.gz SJRSKMPRHNFSNW-QGZVFWFLSA-N 1 0 307.434 3.127 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2)cc1NC(C)=O ZINC000154436737 432497920 /nfs/dbraw/zinc/49/79/20/432497920.db2.gz OKJKXLGIEPATML-GFCCVEGCSA-N 1 0 314.385 3.210 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000262717090 432499729 /nfs/dbraw/zinc/49/97/29/432499729.db2.gz WDCHANACQOAXMG-SUMWQHHRSA-N 1 0 323.506 3.490 10 0 DGAERO CC(C)Cc1nsc(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000185453748 432502380 /nfs/dbraw/zinc/50/23/80/432502380.db2.gz VQVABCNHETYYPP-UHFFFAOYSA-N 1 0 308.495 3.191 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1Cl ZINC000176257604 432504787 /nfs/dbraw/zinc/50/47/87/432504787.db2.gz JGKGXXKHBFNWKB-GFCCVEGCSA-N 1 0 313.804 3.427 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(F)cc(F)c1 ZINC000176272862 432505318 /nfs/dbraw/zinc/50/53/18/432505318.db2.gz GCJTYIPHVFCBNW-MLGOLLRUSA-N 1 0 318.371 3.074 10 0 DGAERO CCCCN(C(=O)C[C@@H](C[NH3+])OC)[C@H](CC)c1ccccc1 ZINC000262854464 432505379 /nfs/dbraw/zinc/50/53/79/432505379.db2.gz KKIJMCPZJLLEPD-DLBZAZTESA-N 1 0 306.450 3.130 10 0 DGAERO CN(C)C(=O)C1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185490341 432506232 /nfs/dbraw/zinc/50/62/32/432506232.db2.gz BLFPJHULJGKRTG-UHFFFAOYSA-N 1 0 320.399 3.155 10 0 DGAERO C[C@@H](NC(=O)[C@H]1CC(F)(F)CN1)c1ccc2ccccc2c1 ZINC000262961735 432509771 /nfs/dbraw/zinc/50/97/71/432509771.db2.gz KUTHBWGYIIIKKZ-IAQYHMDHSA-N 1 0 304.340 3.014 10 0 DGAERO CCOc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c(C)c1 ZINC000176313992 432510454 /nfs/dbraw/zinc/51/04/54/432510454.db2.gz NRXCSXRDBNKLCN-HNNXBMFYSA-N 1 0 319.449 3.342 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176308410 432510824 /nfs/dbraw/zinc/51/08/24/432510824.db2.gz BXMCXJALKMHWIK-AWEZNQCLSA-N 1 0 323.412 3.172 10 0 DGAERO O=C(CC1CCC1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262976242 432511510 /nfs/dbraw/zinc/51/15/10/432511510.db2.gz SQJAYRCDTCFUDP-INIZCTEOSA-N 1 0 318.486 3.409 10 0 DGAERO CC(C)c1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000261902671 432459890 /nfs/dbraw/zinc/45/98/90/432459890.db2.gz PEFMLYNASUHPIV-FRQCXROJSA-N 1 0 316.445 3.281 10 0 DGAERO O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261907142 432460062 /nfs/dbraw/zinc/46/00/62/432460062.db2.gz FWHXMFIBFJOLEJ-FGTMMUONSA-N 1 0 312.457 3.219 10 0 DGAERO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@@H]2C(C)C)c1 ZINC000185045097 432460815 /nfs/dbraw/zinc/46/08/15/432460815.db2.gz LIVVHBIQPYHVSD-MSOLQXFVSA-N 1 0 302.462 3.437 10 0 DGAERO CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)Cc1ccccc1 ZINC000261933476 432461361 /nfs/dbraw/zinc/46/13/61/432461361.db2.gz LYQDDXIDYUKNFN-QRVBRYPASA-N 1 0 316.489 3.002 10 0 DGAERO Fc1cccc(Cc2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)c1 ZINC000261928905 432462602 /nfs/dbraw/zinc/46/26/02/432462602.db2.gz JEHCKZVRVRHRRF-CFVMTHIKSA-N 1 0 301.365 3.393 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000175771006 432463422 /nfs/dbraw/zinc/46/34/22/432463422.db2.gz DXMYBWSBGVVTEK-UHFFFAOYSA-N 1 0 321.465 3.466 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCCc1ccc(F)c(F)c1 ZINC000154009076 432463512 /nfs/dbraw/zinc/46/35/12/432463512.db2.gz ZFGHUQONIRWBLP-HNNXBMFYSA-N 1 0 324.415 3.278 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000185075569 432463991 /nfs/dbraw/zinc/46/39/91/432463991.db2.gz WGJRNIXWWZLEGJ-SJORKVTESA-N 1 0 306.425 3.008 10 0 DGAERO CCN(CCc1cccs1)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000261946831 432464302 /nfs/dbraw/zinc/46/43/02/432464302.db2.gz ORUOMCLETWNXJM-JKSUJKDBSA-N 1 0 308.491 3.437 10 0 DGAERO c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261979881 432466157 /nfs/dbraw/zinc/46/61/57/432466157.db2.gz RLLZHKBMHPCWQJ-PWRODBHTSA-N 1 0 324.468 3.129 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000262008884 432468268 /nfs/dbraw/zinc/46/82/68/432468268.db2.gz WBTKNZOOMBNTKN-SUHUHFCYSA-N 1 0 314.351 3.400 10 0 DGAERO CCCCOC[C@@H](O)C[N@@H+]1CCc2cc(OCCC)ccc2C1 ZINC000193385076 432470084 /nfs/dbraw/zinc/47/00/84/432470084.db2.gz YVDKSEXYIDOEBP-SFHVURJKSA-N 1 0 321.461 3.011 10 0 DGAERO C[C@@H]1CCC[C@H]1CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000185951071 432548726 /nfs/dbraw/zinc/54/87/26/432548726.db2.gz RHOKMFLDOXKTBE-HIFRSBDPSA-N 1 0 306.425 3.330 10 0 DGAERO C[C@H](CCC(C)(C)C)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263500441 432550084 /nfs/dbraw/zinc/55/00/84/432550084.db2.gz KRBVVJOQACUJCF-IUDNXUCKSA-N 1 0 310.482 3.118 10 0 DGAERO C=Cn1cc(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000194425685 432550492 /nfs/dbraw/zinc/55/04/92/432550492.db2.gz GXLSQYJQKQBAFM-LJQANCHMSA-N 1 0 310.445 3.128 10 0 DGAERO CS[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000176776051 432551207 /nfs/dbraw/zinc/55/12/07/432551207.db2.gz XJYYMWTZPDWCMQ-HOTGVXAUSA-N 1 0 308.491 3.183 10 0 DGAERO CC(C)Oc1ccc(F)cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000155413384 432554067 /nfs/dbraw/zinc/55/40/67/432554067.db2.gz BHTDLXFGLMECJW-UHFFFAOYSA-N 1 0 308.397 3.331 10 0 DGAERO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185626413 432516247 /nfs/dbraw/zinc/51/62/47/432516247.db2.gz AZRUDVCYZKQJRX-UWWQBHOKSA-N 1 0 315.461 3.046 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1OC ZINC000176388226 432518419 /nfs/dbraw/zinc/51/84/19/432518419.db2.gz AMHBAJHYXDCUKX-HNNXBMFYSA-N 1 0 305.418 3.285 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000185656830 432519724 /nfs/dbraw/zinc/51/97/24/432519724.db2.gz WULHGOYIEFPRDB-TZMCWYRMSA-N 1 0 300.402 3.296 10 0 DGAERO CC1(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000176417692 432521489 /nfs/dbraw/zinc/52/14/89/432521489.db2.gz WRLMRPPGQZTWMT-UHFFFAOYSA-N 1 0 315.461 3.140 10 0 DGAERO Cc1ccc(CN(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000194083000 432523494 /nfs/dbraw/zinc/52/34/94/432523494.db2.gz VNWLVWFDQJBZGL-CQSZACIVSA-N 1 0 321.465 3.240 10 0 DGAERO Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])C2)n1 ZINC000263172326 432524247 /nfs/dbraw/zinc/52/42/47/432524247.db2.gz FWJWURLMNAVOMQ-JKIFEVAISA-N 1 0 321.490 3.065 10 0 DGAERO CCc1oc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1C ZINC000154850642 432525545 /nfs/dbraw/zinc/52/55/45/432525545.db2.gz BVCQMJBHJAVAFP-UHFFFAOYSA-N 1 0 304.434 3.241 10 0 DGAERO C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC1CCCCC1 ZINC000194120497 432527354 /nfs/dbraw/zinc/52/73/54/432527354.db2.gz LDQRMTQZTONSLY-AWEZNQCLSA-N 1 0 320.399 3.299 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3[nH]c(C)cc3c2)C1 ZINC000194171372 432529585 /nfs/dbraw/zinc/52/95/85/432529585.db2.gz VPLXHGQFMLJYEB-OAHLLOKOSA-N 1 0 300.406 3.082 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1ccc(F)cc1)CC2 ZINC000154940000 432529995 /nfs/dbraw/zinc/52/99/95/432529995.db2.gz PJSKIMPDTZYZIC-HUUCEWRRSA-N 1 0 302.397 3.035 10 0 DGAERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000185753255 432530614 /nfs/dbraw/zinc/53/06/14/432530614.db2.gz AXZSREMPISWHCA-GJZGRUSLSA-N 1 0 314.433 3.300 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000154961565 432531709 /nfs/dbraw/zinc/53/17/09/432531709.db2.gz SGLNPDRDVIVXSM-ZJUUUORDSA-N 1 0 307.385 3.076 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000154961410 432532141 /nfs/dbraw/zinc/53/21/41/432532141.db2.gz SGLNPDRDVIVXSM-NXEZZACHSA-N 1 0 307.385 3.076 10 0 DGAERO CC[C@H](CC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000155020696 432533167 /nfs/dbraw/zinc/53/31/67/432533167.db2.gz RHXCAYMDSDCALH-HRCADAONSA-N 1 0 318.461 3.130 10 0 DGAERO CC[C@@H](CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000155020366 432533912 /nfs/dbraw/zinc/53/39/12/432533912.db2.gz RHXCAYMDSDCALH-XHSDSOJGSA-N 1 0 318.461 3.130 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000185795247 432533993 /nfs/dbraw/zinc/53/39/93/432533993.db2.gz FBZIOXRHFMPCPT-ROUUACIJSA-N 1 0 306.494 3.393 10 0 DGAERO C/C=C/C[C@H](CO)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000185812596 432535400 /nfs/dbraw/zinc/53/54/00/432535400.db2.gz ACDBESDUZXQMGZ-YWVDXFKGSA-N 1 0 303.324 3.044 10 0 DGAERO Cc1cnn([C@@H]2CCCN(c3nc(C)nc4c3CCCC4)C2)c1 ZINC000272837853 432537295 /nfs/dbraw/zinc/53/72/95/432537295.db2.gz IBOIBXNYCCMZTN-OAHLLOKOSA-N 1 0 311.433 3.010 10 0 DGAERO C[C@H]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000194325457 432540943 /nfs/dbraw/zinc/54/09/43/432540943.db2.gz LPJYPFBKAYFMQF-RDJZCZTQSA-N 1 0 307.482 3.083 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1F ZINC000176675494 432542442 /nfs/dbraw/zinc/54/24/42/432542442.db2.gz FXRAQFOJNWSNTO-AWEZNQCLSA-N 1 0 319.424 3.075 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)ccc1C ZINC000194397747 432548530 /nfs/dbraw/zinc/54/85/30/432548530.db2.gz CEVBXEWGRSMSQG-HNNXBMFYSA-N 1 0 322.412 3.435 10 0 DGAERO Cc1ccc2c(CC[NH2+]Cc3cnccc3N(C)C)cn(C)c2c1 ZINC000186542955 432605275 /nfs/dbraw/zinc/60/52/75/432605275.db2.gz XGCJIECPBBWFGY-UHFFFAOYSA-N 1 0 322.456 3.280 10 0 DGAERO C[C@H]1C[N@H+](Cc2csc3ccccc23)C[C@@H]1N1CCOCC1 ZINC000177276783 432606511 /nfs/dbraw/zinc/60/65/11/432606511.db2.gz DGHMIPHTLFURDP-YOEHRIQHSA-N 1 0 316.470 3.054 10 0 DGAERO CC[C@@H](C[N@H+](CC)C[C@@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000186598034 432612108 /nfs/dbraw/zinc/61/21/08/432612108.db2.gz WVQGONNHLUSCKT-CVEARBPZSA-N 1 0 311.491 3.183 10 0 DGAERO Cc1csc([C@H]2CCCN(Cc3nnc(C)n3C3CC3)C2)n1 ZINC000156985789 432612606 /nfs/dbraw/zinc/61/26/06/432612606.db2.gz HXEOYUKVEQPAIT-ZDUSSCGKSA-N 1 0 317.462 3.066 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000186177984 432566863 /nfs/dbraw/zinc/56/68/63/432566863.db2.gz XIMLGHPODLJDDH-JQWIXIFHSA-N 1 0 307.463 3.389 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(SC(C)C)cc2)C1 ZINC000194664225 432567688 /nfs/dbraw/zinc/56/76/88/432567688.db2.gz BLTQZIWWOFDIEI-HNNXBMFYSA-N 1 0 306.475 3.401 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2ccccc2s1 ZINC000176989219 432572065 /nfs/dbraw/zinc/57/20/65/432572065.db2.gz MTASKXDBQHLBAK-CQSZACIVSA-N 1 0 302.443 3.458 10 0 DGAERO CCc1noc(C)c1NC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000155762229 432573988 /nfs/dbraw/zinc/57/39/88/432573988.db2.gz NPWLGAFUKBTDAW-FRRDWIJNSA-N 1 0 322.453 3.033 10 0 DGAERO COc1ccc([C@H](C)CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000177012449 432575422 /nfs/dbraw/zinc/57/54/22/432575422.db2.gz KJGOCEWSGFICDD-VYDXJSESSA-N 1 0 318.461 3.130 10 0 DGAERO CC(C)c1csc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000194798672 432576889 /nfs/dbraw/zinc/57/68/89/432576889.db2.gz IDCHLPGSFNMPKC-LBPRGKRZSA-N 1 0 310.467 3.262 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C/C=C/c1cccc(F)c1 ZINC000177030685 432578691 /nfs/dbraw/zinc/57/86/91/432578691.db2.gz UBPBANYZGVYPQI-JZLODUJNSA-N 1 0 304.409 3.172 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C12CCOCC2 ZINC000186321983 432580468 /nfs/dbraw/zinc/58/04/68/432580468.db2.gz YOUBMGXJCYEZAR-IAOVAPTHSA-N 1 0 305.418 3.017 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)nc2)C12CCOCC2 ZINC000186315044 432580748 /nfs/dbraw/zinc/58/07/48/432580748.db2.gz LVSIAMXIMUAHBE-AEGPPILISA-N 1 0 324.852 3.360 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C12CCOCC2 ZINC000186331306 432583795 /nfs/dbraw/zinc/58/37/95/432583795.db2.gz KJMBWXGKXUIFRG-MSOLQXFVSA-N 1 0 321.436 3.322 10 0 DGAERO CCC(C)(C)NC(=O)C[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000194880836 432584125 /nfs/dbraw/zinc/58/41/25/432584125.db2.gz WPIOJEFJGWMKCZ-UHFFFAOYSA-N 1 0 318.461 3.179 10 0 DGAERO COc1cccc([C@H](C)[NH2+]CC[C@H]2c3ccccc3NC2=O)c1 ZINC000177187253 432595984 /nfs/dbraw/zinc/59/59/84/432595984.db2.gz FSOBQNDBVLNSDX-GUYCJALGSA-N 1 0 310.397 3.472 10 0 DGAERO O=C(c1ccc(C(F)(F)F)cc1)N1CCN2CCCC[C@H]2C1 ZINC000195075504 432599734 /nfs/dbraw/zinc/59/97/34/432599734.db2.gz WUXWNIWNKVSQAV-AWEZNQCLSA-N 1 0 312.335 3.016 10 0 DGAERO CC(C)(C)C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)C(F)(F)F ZINC000186492059 432600114 /nfs/dbraw/zinc/60/01/14/432600114.db2.gz LFMWCQVKPMHXLN-GFCCVEGCSA-N 1 0 302.340 3.242 10 0 DGAERO O=C(CSc1ccccc1Cl)N1CCN2CCCC[C@@H]2C1 ZINC000195076474 432601189 /nfs/dbraw/zinc/60/11/89/432601189.db2.gz VVEVOPRSDUJNGS-CYBMUJFWSA-N 1 0 324.877 3.129 10 0 DGAERO COC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156618393 432602643 /nfs/dbraw/zinc/60/26/43/432602643.db2.gz RIIDZEDGWGORBZ-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1ccc(OCC[N@@H+](C)Cc2ccc(-n3ccnc3)nc2)cc1 ZINC000177237874 432603044 /nfs/dbraw/zinc/60/30/44/432603044.db2.gz KVQWGEKGWSITCF-UHFFFAOYSA-N 1 0 322.412 3.087 10 0 DGAERO CC(C)(C)c1ccc(CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195318350 432619524 /nfs/dbraw/zinc/61/95/24/432619524.db2.gz FXDWGUZNIMZDRB-SFHVURJKSA-N 1 0 314.473 3.223 10 0 DGAERO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)oc2c1c(C)ccc2C ZINC000186664834 432619672 /nfs/dbraw/zinc/61/96/72/432619672.db2.gz NINNHDHXKMDUTD-QMTHXVAHSA-N 1 0 300.402 3.086 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(OC)c(OC(C)C)c1)[NH+](C)C ZINC000186672303 432620977 /nfs/dbraw/zinc/62/09/77/432620977.db2.gz YABGMWZNENOIBW-CQSZACIVSA-N 1 0 308.422 3.151 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(CC)C2CCCCC2)CC1 ZINC000157644978 432626195 /nfs/dbraw/zinc/62/61/95/432626195.db2.gz QMHDEFSENGFSHH-UHFFFAOYSA-N 1 0 309.498 3.473 10 0 DGAERO COC(=O)c1cc(C[N@H+](C)CCc2ncc(C)s2)c(C)s1 ZINC000157642836 432626530 /nfs/dbraw/zinc/62/65/30/432626530.db2.gz JDYQSGPCXVMNDN-UHFFFAOYSA-N 1 0 324.471 3.283 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000195517880 432626627 /nfs/dbraw/zinc/62/66/27/432626627.db2.gz DRVYUGVDABBQPY-GFCCVEGCSA-N 1 0 307.344 3.111 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000157675278 432627445 /nfs/dbraw/zinc/62/74/45/432627445.db2.gz GQJVCBSYEFMULT-MNOVXSKESA-N 1 0 321.412 3.324 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C)c1C ZINC000177495790 432630418 /nfs/dbraw/zinc/63/04/18/432630418.db2.gz PBLYVXNXOCPIJL-HZPDHXFCSA-N 1 0 301.434 3.394 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)ccc1OC ZINC000177503575 432630636 /nfs/dbraw/zinc/63/06/36/432630636.db2.gz SRTZBPBHPSHLAS-HUUCEWRRSA-N 1 0 317.433 3.094 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(F)c1 ZINC000177502254 432631211 /nfs/dbraw/zinc/63/12/11/432631211.db2.gz VGMJLLRNIXPTMV-QWHCGFSZSA-N 1 0 309.360 3.055 10 0 DGAERO C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)c1cccnc1 ZINC000186816687 432632284 /nfs/dbraw/zinc/63/22/84/432632284.db2.gz STRZAGLVJZLDFH-MRXNPFEDSA-N 1 0 317.477 3.346 10 0 DGAERO CC(C)(C)N1C[C@H](c2ccccc2Cl)[C@]2(CCC[NH2+]C2)C1=O ZINC000216087900 432648149 /nfs/dbraw/zinc/64/81/49/432648149.db2.gz CHCKFJARXCICLD-RDTXWAMCSA-N 1 0 320.864 3.434 10 0 DGAERO C[C@@H](O)[C@H]1CCCCN1Cc1csc(Br)c1 ZINC000264385753 432640982 /nfs/dbraw/zinc/64/09/82/432640982.db2.gz DVCLUCHQKOSUKF-MWLCHTKSSA-N 1 0 304.253 3.246 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186989700 432641546 /nfs/dbraw/zinc/64/15/46/432641546.db2.gz UZSRMWOJIHXZHN-INIZCTEOSA-N 1 0 303.446 3.426 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc4ccccc4o3)[C@@H]2C1 ZINC000158267482 432641722 /nfs/dbraw/zinc/64/17/22/432641722.db2.gz LSOBWHOXWRCJTE-QGPMSJSTSA-N 1 0 301.386 3.201 10 0 DGAERO COc1cccc([C@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000177618882 432642140 /nfs/dbraw/zinc/64/21/40/432642140.db2.gz FNAVYIXLKAOOJJ-NVXWUHKLSA-N 1 0 320.477 3.281 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(Cl)o1)NC(=O)OC(C)(C)C ZINC000222085492 432669535 /nfs/dbraw/zinc/66/95/35/432669535.db2.gz LWJXFMVRQWLHOI-SNVBAGLBSA-N 1 0 302.802 3.326 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177713814 432654271 /nfs/dbraw/zinc/65/42/71/432654271.db2.gz ONZBQEOPEABJKK-QGZVFWFLSA-N 1 0 314.408 3.304 10 0 DGAERO CCc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)o1 ZINC000177739400 432655513 /nfs/dbraw/zinc/65/55/13/432655513.db2.gz IUEKEACUWIPHAQ-UHFFFAOYSA-N 1 0 312.413 3.236 10 0 DGAERO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217844881 432656271 /nfs/dbraw/zinc/65/62/71/432656271.db2.gz BZYFNQHCNSTUOI-AWEZNQCLSA-N 1 0 318.230 3.475 10 0 DGAERO c1csc(-c2cc(CN3CC[N@@H+]4CCCC[C@@H]4C3)no2)c1 ZINC000177774003 432660710 /nfs/dbraw/zinc/66/07/10/432660710.db2.gz JAMQTCRJHINEFM-CQSZACIVSA-N 1 0 303.431 3.073 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158872989 432661434 /nfs/dbraw/zinc/66/14/34/432661434.db2.gz LAMQKYKRRZKMPA-XIRDDKMYSA-N 1 0 320.502 3.402 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(-n2cncn2)cc1 ZINC000158869773 432661507 /nfs/dbraw/zinc/66/15/07/432661507.db2.gz ULUULSCYUWXZIC-OLZOCXBDSA-N 1 0 311.364 3.213 10 0 DGAERO COc1ccc(CC[NH2+][C@@H](C)CCn2cccn2)c(Cl)c1 ZINC000158974709 432663748 /nfs/dbraw/zinc/66/37/48/432663748.db2.gz LEXGYQCCXCTWEL-ZDUSSCGKSA-N 1 0 307.825 3.156 10 0 DGAERO C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000158972228 432664872 /nfs/dbraw/zinc/66/48/72/432664872.db2.gz ASUMALDKGLCSNK-CVEARBPZSA-N 1 0 309.417 3.198 10 0 DGAERO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C1CCC1 ZINC000187483470 432667651 /nfs/dbraw/zinc/66/76/51/432667651.db2.gz OEYZANMUUUEYCT-GOSISDBHSA-N 1 0 317.477 3.337 10 0 DGAERO C[C@H](O)C1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000225796225 432698015 /nfs/dbraw/zinc/69/80/15/432698015.db2.gz QLLPUUSYESRFGE-NSHDSACASA-N 1 0 318.244 3.465 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000188005503 432699137 /nfs/dbraw/zinc/69/91/37/432699137.db2.gz LCHOAFPJDVFOOW-ACJLOTCBSA-N 1 0 318.392 3.464 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cscn1 ZINC000225811625 432699307 /nfs/dbraw/zinc/69/93/07/432699307.db2.gz HRUDKKBVLHKHAN-UHFFFAOYSA-N 1 0 313.467 3.316 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1cccnc1Oc1cccc(OC)c1 ZINC000188032590 432700718 /nfs/dbraw/zinc/70/07/18/432700718.db2.gz DNSXMFBTVFLASP-AWEZNQCLSA-N 1 0 316.401 3.255 10 0 DGAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000188040586 432701087 /nfs/dbraw/zinc/70/10/87/432701087.db2.gz GXOKAZOXJPBQFX-LJQANCHMSA-N 1 0 313.445 3.450 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(CCO)CC1 ZINC000188065352 432701944 /nfs/dbraw/zinc/70/19/44/432701944.db2.gz MKTMEMSNPHZRLO-CYBMUJFWSA-N 1 0 313.388 3.361 10 0 DGAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1cccc(OC(F)(F)F)c1 ZINC000188053317 432702810 /nfs/dbraw/zinc/70/28/10/432702810.db2.gz WXMRJFWQOLSURS-LLVKDONJSA-N 1 0 303.324 3.398 10 0 DGAERO COC[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1Br ZINC000188125055 432704947 /nfs/dbraw/zinc/70/49/47/432704947.db2.gz MWCGLDDYLOPGFI-NWDGAFQWSA-N 1 0 300.240 3.252 10 0 DGAERO COC[C@H](C)C[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000188170480 432709620 /nfs/dbraw/zinc/70/96/20/432709620.db2.gz KNTNYVWKVKMXCY-MDZRGWNJSA-N 1 0 321.461 3.184 10 0 DGAERO Cc1cc(F)cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000178268134 432713257 /nfs/dbraw/zinc/71/32/57/432713257.db2.gz MIIJGUXDHMJHEC-MRXNPFEDSA-N 1 0 305.397 3.226 10 0 DGAERO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1C ZINC000227687040 432713746 /nfs/dbraw/zinc/71/37/46/432713746.db2.gz XSKZOWAOBGEYNC-NEPJUHHUSA-N 1 0 324.469 3.084 10 0 DGAERO COC[C@H](C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)OC ZINC000227713450 432714136 /nfs/dbraw/zinc/71/41/36/432714136.db2.gz GUIUGYWPXYNTGM-IUCAKERBSA-N 1 0 310.196 3.445 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)Cc1ccccc1F ZINC000188303029 432715809 /nfs/dbraw/zinc/71/58/09/432715809.db2.gz LYKRYFQJFFCJSS-CYBMUJFWSA-N 1 0 303.425 3.329 10 0 DGAERO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000228076515 432717598 /nfs/dbraw/zinc/71/75/98/432717598.db2.gz PKTUQEPSOPNHEM-XQQFMLRXSA-N 1 0 301.377 3.358 10 0 DGAERO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1nccs1 ZINC000159141338 432672085 /nfs/dbraw/zinc/67/20/85/432672085.db2.gz DQFCLJQPLYMWIE-KBPBESRZSA-N 1 0 324.494 3.014 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC)C[C@@H]1C ZINC000187597431 432672586 /nfs/dbraw/zinc/67/25/86/432672586.db2.gz NRUSJKAIAKNSPR-VBNZEHGJSA-N 1 0 323.408 3.292 10 0 DGAERO CCc1ccc(NC(=O)NCc2cccnc2N(C)C)cc1F ZINC000159138007 432672676 /nfs/dbraw/zinc/67/26/76/432672676.db2.gz ATDGOGIRXGMAKQ-UHFFFAOYSA-N 1 0 316.380 3.171 10 0 DGAERO CCCC[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(=O)Nc1cc(C)on1 ZINC000187651451 432674600 /nfs/dbraw/zinc/67/46/00/432674600.db2.gz UOHSVNKSJBKZQJ-ZIAGYGMSSA-N 1 0 323.437 3.028 10 0 DGAERO CSc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1F ZINC000159192138 432674762 /nfs/dbraw/zinc/67/47/62/432674762.db2.gz QASQROFROIUFTG-UHFFFAOYSA-N 1 0 322.449 3.248 10 0 DGAERO CCN(CCc1nccs1)CC(=O)Nc1ccc(C)c(C)c1 ZINC000159359443 432679724 /nfs/dbraw/zinc/67/97/24/432679724.db2.gz CPXBVZIKNBSWQV-UHFFFAOYSA-N 1 0 317.458 3.263 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000187718060 432680212 /nfs/dbraw/zinc/68/02/12/432680212.db2.gz WQKJYJFHRMCNDW-CYBMUJFWSA-N 1 0 304.365 3.385 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccccn1 ZINC000159346318 432680820 /nfs/dbraw/zinc/68/08/20/432680820.db2.gz IXOYOQNEYPHIOP-OLZOCXBDSA-N 1 0 303.356 3.289 10 0 DGAERO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(F)ccc1F ZINC000178020876 432685379 /nfs/dbraw/zinc/68/53/79/432685379.db2.gz VYCKARKHILJOBK-QGZVFWFLSA-N 1 0 318.367 3.436 10 0 DGAERO COC[C@H](C)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000178030541 432686572 /nfs/dbraw/zinc/68/65/72/432686572.db2.gz MGSUCJYWTKZJBK-SNVBAGLBSA-N 1 0 304.203 3.303 10 0 DGAERO COC[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000178030367 432687129 /nfs/dbraw/zinc/68/71/29/432687129.db2.gz SCBFISFBGATTNL-SNVBAGLBSA-N 1 0 319.232 3.146 10 0 DGAERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccsc1 ZINC000178039047 432687429 /nfs/dbraw/zinc/68/74/29/432687429.db2.gz UTDZYEXFEZOURE-XJKSGUPXSA-N 1 0 302.443 3.098 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCOC1 ZINC000225381232 432688941 /nfs/dbraw/zinc/68/89/41/432688941.db2.gz MKNVPFRNNLAPHD-AWEZNQCLSA-N 1 0 314.470 3.086 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)s1 ZINC000178050272 432689173 /nfs/dbraw/zinc/68/91/73/432689173.db2.gz ADPLVEJZIJDYBQ-JTQLQIEISA-N 1 0 319.821 3.228 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000178534145 432748742 /nfs/dbraw/zinc/74/87/42/432748742.db2.gz DXOPJJNDDMKXLN-INIZCTEOSA-N 1 0 300.402 3.266 10 0 DGAERO COc1ccc2[nH]c(C(=O)NCC[NH+](C(C)C)C(C)C)cc2c1 ZINC000188912709 432752641 /nfs/dbraw/zinc/75/26/41/432752641.db2.gz OLWHPGVDOHECTH-UHFFFAOYSA-N 1 0 317.433 3.025 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1csc(Cl)c1)c1ccccc1 ZINC000188934793 432753381 /nfs/dbraw/zinc/75/33/81/432753381.db2.gz CWASEFMDMHUPMF-ZDUSSCGKSA-N 1 0 308.834 3.434 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1csc(Cl)c1)c1ccccc1 ZINC000188934817 432753682 /nfs/dbraw/zinc/75/36/82/432753682.db2.gz CWASEFMDMHUPMF-CYBMUJFWSA-N 1 0 308.834 3.434 10 0 DGAERO CCC1(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000178588186 432755162 /nfs/dbraw/zinc/75/51/62/432755162.db2.gz NDQHWQRNSSWPGA-KRWDZBQOSA-N 1 0 300.446 3.348 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](C)C(C)C)c1ccccc1OCC(=O)N(C)C ZINC000178581366 432755708 /nfs/dbraw/zinc/75/57/08/432755708.db2.gz OIPQRTBKNLYWKK-DOTOQJQBSA-N 1 0 320.477 3.486 10 0 DGAERO CC(C)COc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1Cl ZINC000236687628 432756559 /nfs/dbraw/zinc/75/65/59/432756559.db2.gz ZOKCHUCOVHSRBF-VXGBXAGGSA-N 1 0 310.825 3.441 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@H](CO)Cc2cccc(C)c2)cc1 ZINC000189020933 432758993 /nfs/dbraw/zinc/75/89/93/432758993.db2.gz PDNUSZUXRKCURE-APWZRJJASA-N 1 0 313.441 3.300 10 0 DGAERO COc1ccccc1CC1CC[NH+](CCOCC(F)F)CC1 ZINC000189051850 432760525 /nfs/dbraw/zinc/76/05/25/432760525.db2.gz OEINKRLCXMXMFX-UHFFFAOYSA-N 1 0 313.388 3.231 10 0 DGAERO O=C1[C@H]([NH2+][C@@H]2CCc3ccccc32)CCN1Cc1ccc(F)cc1 ZINC000189046124 432760920 /nfs/dbraw/zinc/76/09/20/432760920.db2.gz KFJGDPXAJZRVRP-RTBURBONSA-N 1 0 324.399 3.204 10 0 DGAERO c1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c2c(c1)OCCO2 ZINC000178635259 432761162 /nfs/dbraw/zinc/76/11/62/432761162.db2.gz QDXYQYVNYLWZMJ-HNNXBMFYSA-N 1 0 303.402 3.039 10 0 DGAERO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc2c(c1)CCO2 ZINC000178665313 432763784 /nfs/dbraw/zinc/76/37/84/432763784.db2.gz QEHXNJBPPGHCBI-CYBMUJFWSA-N 1 0 320.433 3.187 10 0 DGAERO COc1cc(Br)ccc1C[NH2+]Cc1cccnc1C ZINC000189186698 432768118 /nfs/dbraw/zinc/76/81/18/432768118.db2.gz ZCKBPZKALAKBRL-UHFFFAOYSA-N 1 0 321.218 3.451 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1F ZINC000178727266 432771427 /nfs/dbraw/zinc/77/14/27/432771427.db2.gz SCEWRBUCDXISBL-MRXNPFEDSA-N 1 0 321.440 3.088 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@H]1C ZINC000189259293 432773125 /nfs/dbraw/zinc/77/31/25/432773125.db2.gz NHKVHCGPVPWVPF-DOMZBBRYSA-N 1 0 317.351 3.485 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccc(-n2cncn2)cc1 ZINC000178758066 432775079 /nfs/dbraw/zinc/77/50/79/432775079.db2.gz JDIKZPQXVNMNIP-KBPBESRZSA-N 1 0 308.385 3.385 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000231042123 432730824 /nfs/dbraw/zinc/73/08/24/432730824.db2.gz NLDMXTAJEREWIR-SMDDNHRTSA-N 1 0 316.214 3.229 10 0 DGAERO COC[C@@H](C)C[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000188570181 432731693 /nfs/dbraw/zinc/73/16/93/432731693.db2.gz YHDRRCBNPTWLJG-QWHCGFSZSA-N 1 0 316.367 3.156 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000178409376 432731893 /nfs/dbraw/zinc/73/18/93/432731893.db2.gz MPDNKDSLJMKKGP-OAHLLOKOSA-N 1 0 306.498 3.473 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2)[NH+](C)C ZINC000188629413 432735876 /nfs/dbraw/zinc/73/58/76/432735876.db2.gz AHSKUKIPHWBDHC-DYVFJYSZSA-N 1 0 306.406 3.253 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000178445811 432738823 /nfs/dbraw/zinc/73/88/23/432738823.db2.gz CUXDHWRPXNRQAR-GUYCJALGSA-N 1 0 313.397 3.014 10 0 DGAERO Cc1ccc2c(CC[NH2+][C@@H]3CCCc4c3cnn4C)cn(C)c2c1 ZINC000188696231 432740807 /nfs/dbraw/zinc/74/08/07/432740807.db2.gz CRIBVONULAZVEE-GOSISDBHSA-N 1 0 322.456 3.430 10 0 DGAERO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCC1=CCCCC1 ZINC000242857275 432818660 /nfs/dbraw/zinc/81/86/60/432818660.db2.gz GDDRRNUEAQHNDZ-UHFFFAOYSA-N 1 0 312.457 3.442 10 0 DGAERO COC[C@H](C)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000189786648 432819555 /nfs/dbraw/zinc/81/95/55/432819555.db2.gz AOCPLBRNANXNBY-CQSZACIVSA-N 1 0 319.424 3.363 10 0 DGAERO CSCCCC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162333274 432819883 /nfs/dbraw/zinc/81/98/83/432819883.db2.gz RDHITSLGLUJQQI-GOSISDBHSA-N 1 0 320.502 3.301 10 0 DGAERO CCC[C@@H](C(=O)N1CC[C@H](CSc2ccccc2)C1)[NH+](C)C ZINC000162337930 432820081 /nfs/dbraw/zinc/82/00/81/432820081.db2.gz HGVLIPIQWXHUQA-RDJZCZTQSA-N 1 0 320.502 3.358 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000245413282 432828462 /nfs/dbraw/zinc/82/84/62/432828462.db2.gz BICOHTAYAVGPNZ-QFBILLFUSA-N 1 0 312.461 3.034 10 0 DGAERO CCc1cccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)c1 ZINC000245423304 432829785 /nfs/dbraw/zinc/82/97/85/432829785.db2.gz BFEIHRBOEAHMFB-IAGOWNOFSA-N 1 0 301.434 3.340 10 0 DGAERO CCc1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)c1 ZINC000245423306 432829988 /nfs/dbraw/zinc/82/99/88/432829988.db2.gz BFEIHRBOEAHMFB-SJORKVTESA-N 1 0 301.434 3.340 10 0 DGAERO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)N1CCC[C@H](C(F)(F)F)C1 ZINC000245438872 432831043 /nfs/dbraw/zinc/83/10/43/432831043.db2.gz FPQCGOMILKDNQA-IHRRRGAJSA-N 1 0 318.383 3.052 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2cccs2)n1 ZINC000245442472 432831786 /nfs/dbraw/zinc/83/17/86/432831786.db2.gz WJJDWVWUVNVCNK-GJZGRUSLSA-N 1 0 317.458 3.462 10 0 DGAERO C[C@H](CCOc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245450105 432831811 /nfs/dbraw/zinc/83/18/11/432831811.db2.gz OHUMVAJLLZWBAQ-IKGGRYGDSA-N 1 0 318.461 3.033 10 0 DGAERO COc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245451191 432832310 /nfs/dbraw/zinc/83/23/10/432832310.db2.gz PHEPQENOJOCKSH-CABCVRRESA-N 1 0 317.433 3.174 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245444809 432832338 /nfs/dbraw/zinc/83/23/38/432832338.db2.gz YIYQYTMLGWURAW-LPHOPBHVSA-N 1 0 312.461 3.034 10 0 DGAERO CO[C@@H](C)c1nc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cs1 ZINC000245462553 432834161 /nfs/dbraw/zinc/83/41/61/432834161.db2.gz GNPCULPQWIMZPI-IMJJTQAJSA-N 1 0 323.506 3.298 10 0 DGAERO C[C@H](c1nc(C(C)(C)C)no1)N1CC[NH+](C2CCCCC2)CC1 ZINC000162858135 432836214 /nfs/dbraw/zinc/83/62/14/432836214.db2.gz FDVDAXXCUBXEQQ-CQSZACIVSA-N 1 0 320.481 3.378 10 0 DGAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000245496024 432836691 /nfs/dbraw/zinc/83/66/91/432836691.db2.gz QPQWFHQFFIVCLQ-ZCRFILTFSA-N 1 0 307.482 3.222 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2F)[C@@H](C)C1 ZINC000245483832 432836950 /nfs/dbraw/zinc/83/69/50/432836950.db2.gz GFDGVMYZQNNLRM-XHDPSFHLSA-N 1 0 311.376 3.159 10 0 DGAERO CC[C@H](C)C[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245498191 432837987 /nfs/dbraw/zinc/83/79/87/432837987.db2.gz VPNJQQUTHCYTBF-HZMVEIRTSA-N 1 0 309.498 3.468 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178862929 432783128 /nfs/dbraw/zinc/78/31/28/432783128.db2.gz WEIBQHBRENGNSE-NSHDSACASA-N 1 0 321.490 3.309 10 0 DGAERO C[NH+](C)C1CCN(C(=O)CCCCCc2ccc(F)cc2)CC1 ZINC000189371578 432783391 /nfs/dbraw/zinc/78/33/91/432783391.db2.gz KSYDUIJSSVJROY-UHFFFAOYSA-N 1 0 320.452 3.481 10 0 DGAERO Fc1cc(-c2ccncc2)ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000178888832 432785120 /nfs/dbraw/zinc/78/51/20/432785120.db2.gz XLVPKQXTFDJHQU-CQSZACIVSA-N 1 0 300.377 3.404 10 0 DGAERO CCC[C@@H](C(=O)NCCCCOc1ccc(C)cc1)[NH+](C)C ZINC000161630507 432790453 /nfs/dbraw/zinc/79/04/53/432790453.db2.gz OULPJUPPHCEYHD-KRWDZBQOSA-N 1 0 306.450 3.001 10 0 DGAERO Cc1nc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c(C)s1 ZINC000178988013 432794020 /nfs/dbraw/zinc/79/40/20/432794020.db2.gz BNTPGHWIPBUGJI-UHFFFAOYSA-N 1 0 317.458 3.012 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+]C3CC(OC(C)C)C3)C2)c1 ZINC000189529252 432796484 /nfs/dbraw/zinc/79/64/84/432796484.db2.gz LVADFFMMTMQLMM-LYGPFTKASA-N 1 0 318.461 3.067 10 0 DGAERO CCN(CCc1nccs1)Cc1nnc(-c2ccccc2)o1 ZINC000179037536 432797797 /nfs/dbraw/zinc/79/77/97/432797797.db2.gz DUBIMPWHKAMQBO-UHFFFAOYSA-N 1 0 314.414 3.258 10 0 DGAERO CCN(CCc1nccs1)Cc1nc2ccccc2n1C ZINC000179037067 432798623 /nfs/dbraw/zinc/79/86/23/432798623.db2.gz UCKSSCFCVGQMCL-UHFFFAOYSA-N 1 0 300.431 3.094 10 0 DGAERO COc1cnccc1[C@@H](C)NCc1cnn(-c2ccccc2)c1 ZINC000189545229 432798622 /nfs/dbraw/zinc/79/86/22/432798622.db2.gz LQNQIFGVDJHVMK-CQSZACIVSA-N 1 0 308.385 3.127 10 0 DGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2F)C1 ZINC000161805304 432798721 /nfs/dbraw/zinc/79/87/21/432798721.db2.gz LPWIQCRERJUTGI-HNNXBMFYSA-N 1 0 320.452 3.197 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000189571242 432800730 /nfs/dbraw/zinc/80/07/30/432800730.db2.gz QNIMXIAUTICYAT-KGLIPLIRSA-N 1 0 313.401 3.158 10 0 DGAERO COCCCOc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000245512723 432838584 /nfs/dbraw/zinc/83/85/84/432838584.db2.gz ARYIXBJEPOJGCC-RTBURBONSA-N 1 0 319.445 3.245 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000245513646 432838657 /nfs/dbraw/zinc/83/86/57/432838657.db2.gz AOTXSWLPWCISPJ-AOIWGVFYSA-N 1 0 316.489 3.362 10 0 DGAERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCCO[C@H]3C)c2C1 ZINC000189621693 432804801 /nfs/dbraw/zinc/80/48/01/432804801.db2.gz RQZAIYLYDBCCMR-GOEBONIOSA-N 1 0 316.445 3.412 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000237938939 432805579 /nfs/dbraw/zinc/80/55/79/432805579.db2.gz FPGWESLVGCWVJO-CZUORRHYSA-N 1 0 320.864 3.395 10 0 DGAERO CCC[C@H](C(=O)NCC1(c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000161972971 432806290 /nfs/dbraw/zinc/80/62/90/432806290.db2.gz XVPDTGSGALAEOT-OAHLLOKOSA-N 1 0 308.853 3.218 10 0 DGAERO Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000237982978 432807106 /nfs/dbraw/zinc/80/71/06/432807106.db2.gz KEZFTVCYKVGKIE-MSOLQXFVSA-N 1 0 312.457 3.357 10 0 DGAERO CCC[C@H](C(=O)Nc1nc(-c2cccc(O)c2)cs1)[NH+](C)C ZINC000162035062 432808994 /nfs/dbraw/zinc/80/89/94/432808994.db2.gz GUHNKNCTFVSYRD-CQSZACIVSA-N 1 0 319.430 3.185 10 0 DGAERO O=C(C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000189730966 432813941 /nfs/dbraw/zinc/81/39/41/432813941.db2.gz OGICCBNTUCMXNU-SJORKVTESA-N 1 0 305.393 3.432 10 0 DGAERO Cc1cccc([C@H]([NH2+]C2CCN(C(N)=O)CC2)C(C)(C)C)c1 ZINC000162146056 432814734 /nfs/dbraw/zinc/81/47/34/432814734.db2.gz WDFBTTMVYWYMAC-INIZCTEOSA-N 1 0 303.450 3.215 10 0 DGAERO COCCCOc1cccc(C[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000189725072 432814989 /nfs/dbraw/zinc/81/49/89/432814989.db2.gz LSFGQRSOELMTJP-QGZVFWFLSA-N 1 0 307.434 3.149 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCc3cccc(F)c3)[C@H]2C1 ZINC000245514077 432839002 /nfs/dbraw/zinc/83/90/02/432839002.db2.gz BHEGDWPCNIPOIG-SQNIBIBYSA-N 1 0 307.409 3.027 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245742030 432860254 /nfs/dbraw/zinc/86/02/54/432860254.db2.gz FDPCYCFUFNWJRD-RBSFLKMASA-N 1 0 323.506 3.091 10 0 DGAERO COc1c(C[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)c(C)nn1C ZINC000245792783 432862707 /nfs/dbraw/zinc/86/27/07/432862707.db2.gz WMDLFHAFXNDAPM-PXAZEXFGSA-N 1 0 317.408 3.459 10 0 DGAERO CC(=O)Nc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245779245 432863193 /nfs/dbraw/zinc/86/31/93/432863193.db2.gz UAHSBBISMACBGM-MSOLQXFVSA-N 1 0 315.461 3.092 10 0 DGAERO C[C@H](C(=O)NCCCc1cccc(F)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245789226 432863440 /nfs/dbraw/zinc/86/34/40/432863440.db2.gz ADZMTFMZSCMQEB-RBSFLKMASA-N 1 0 306.425 3.136 10 0 DGAERO CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245803005 432863927 /nfs/dbraw/zinc/86/39/27/432863927.db2.gz XZYIBYODTFOANF-DOTOQJQBSA-N 1 0 320.477 3.399 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)C2CC2)CN1Cc1ccccc1 ZINC000245832047 432864029 /nfs/dbraw/zinc/86/40/29/432864029.db2.gz AFNUXGGNDDYEEE-LZQZEXGQSA-N 1 0 324.472 3.124 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H]2CCCO[C@H]21 ZINC000245844752 432865216 /nfs/dbraw/zinc/86/52/16/432865216.db2.gz FIWWWAXWZYHTEV-CGTJXYLNSA-N 1 0 316.445 3.164 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccccc1N(C)C ZINC000245865563 432865851 /nfs/dbraw/zinc/86/58/51/432865851.db2.gz JSYRSXSAGDQPDN-OXXUSNJHSA-N 1 0 300.446 3.361 10 0 DGAERO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000245854834 432866218 /nfs/dbraw/zinc/86/62/18/432866218.db2.gz GWYGAOKDUGXUDQ-FTWQHDNSSA-N 1 0 315.457 3.436 10 0 DGAERO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCC[NH+]1CCCC1 ZINC000245866848 432866472 /nfs/dbraw/zinc/86/64/72/432866472.db2.gz LMCJDFIJTYEBSL-ZHALLVOQSA-N 1 0 302.462 3.323 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1F ZINC000245872534 432867173 /nfs/dbraw/zinc/86/71/73/432867173.db2.gz LQYNSMHJXIQMOD-XYZKALLWSA-N 1 0 305.393 3.443 10 0 DGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1cccc(-n2cccn2)c1 ZINC000245878635 432867388 /nfs/dbraw/zinc/86/73/88/432867388.db2.gz KMABRXIDWQSRJK-PNHOKKKMSA-N 1 0 319.408 3.181 10 0 DGAERO C[C@@H](CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1F ZINC000245873586 432867391 /nfs/dbraw/zinc/86/73/91/432867391.db2.gz GPIKWGGFMBOFAT-RWMBFGLXSA-N 1 0 310.388 3.009 10 0 DGAERO C[C@@H]1CN(Cc2cccc3nccn32)[C@@H](c2ccccc2)CO1 ZINC000245945962 432872360 /nfs/dbraw/zinc/87/23/60/432872360.db2.gz VRHODJZTVUKAHC-CRAIPNDOSA-N 1 0 307.397 3.296 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000245955995 432872406 /nfs/dbraw/zinc/87/24/06/432872406.db2.gz XIMGDPFAFJQLCU-BEVDRBHNSA-N 1 0 310.441 3.275 10 0 DGAERO COc1ccc(COCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000245971151 432873474 /nfs/dbraw/zinc/87/34/74/432873474.db2.gz ZSKFOIAPBKIFJL-RCCFBDPRSA-N 1 0 319.445 3.005 10 0 DGAERO CC[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245986546 432873821 /nfs/dbraw/zinc/87/38/21/432873821.db2.gz FETJOBVEWLWQHJ-NJAFHUGGSA-N 1 0 324.509 3.303 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1OC ZINC000246005923 432873939 /nfs/dbraw/zinc/87/39/39/432873939.db2.gz HHBNBNOMOKMJBH-CABCVRRESA-N 1 0 317.433 3.094 10 0 DGAERO CCc1nc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)sc1C ZINC000246041793 432875254 /nfs/dbraw/zinc/87/52/54/432875254.db2.gz OYYGGLIIZJKBIL-BXUZGUMPSA-N 1 0 324.494 3.208 10 0 DGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000246040629 432875272 /nfs/dbraw/zinc/87/52/72/432875272.db2.gz XAWBDFFEGVILLD-PCCBWWKXSA-N 1 0 316.404 3.419 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1cc(Cl)nc(C2CC2)n1 ZINC000162993327 432840249 /nfs/dbraw/zinc/84/02/49/432840249.db2.gz DUODVNLBGYBLDI-WCQYABFASA-N 1 0 306.841 3.070 10 0 DGAERO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)n1 ZINC000245539224 432841234 /nfs/dbraw/zinc/84/12/34/432841234.db2.gz KQQQWYMWYIPKSB-SJORKVTESA-N 1 0 313.445 3.397 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(Cl)cc1Cl ZINC000245561373 432844548 /nfs/dbraw/zinc/84/45/48/432844548.db2.gz KIMXFQNLQPLQEJ-STQMWFEESA-N 1 0 314.260 3.447 10 0 DGAERO C1=CC[C@@H](C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)CC1 ZINC000245571023 432846306 /nfs/dbraw/zinc/84/63/06/432846306.db2.gz XEXQASUNAZPESX-HZPDHXFCSA-N 1 0 300.450 3.498 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC(C)(C)c1ccccc1 ZINC000245568441 432846418 /nfs/dbraw/zinc/84/64/18/432846418.db2.gz YCLRBADJKGHVKO-WMZOPIPTSA-N 1 0 314.473 3.440 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCCc2ccccc2)C1 ZINC000245609212 432848933 /nfs/dbraw/zinc/84/89/33/432848933.db2.gz AOEMPEQYUGOVFQ-AEFFLSMTSA-N 1 0 302.462 3.246 10 0 DGAERO CCN1CC[C@@H]([NH2+]Cc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245603140 432849500 /nfs/dbraw/zinc/84/95/00/432849500.db2.gz PSXXHIRNUYWCMR-GDBMZVCRSA-N 1 0 322.815 3.127 10 0 DGAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000245610861 432849707 /nfs/dbraw/zinc/84/97/07/432849707.db2.gz VFHWQAZOGMZGTI-VYDXJSESSA-N 1 0 317.429 3.055 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)C1 ZINC000245652666 432853522 /nfs/dbraw/zinc/85/35/22/432853522.db2.gz CBHUOOUVKBENMT-PMPSAXMXSA-N 1 0 319.449 3.247 10 0 DGAERO CN1CC[C@@H](NC(=O)CC2CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245662542 432854470 /nfs/dbraw/zinc/85/44/70/432854470.db2.gz HWSMQIHXKHPUMS-NVXWUHKLSA-N 1 0 308.372 3.016 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(Cl)c1 ZINC000245679128 432855749 /nfs/dbraw/zinc/85/57/49/432855749.db2.gz GHMWPKNYEHHMLF-HOTGVXAUSA-N 1 0 321.852 3.108 10 0 DGAERO CCSc1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245706167 432857639 /nfs/dbraw/zinc/85/76/39/432857639.db2.gz BXGXNRHHIVNMGU-HIFRSBDPSA-N 1 0 319.474 3.499 10 0 DGAERO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000245706942 432857704 /nfs/dbraw/zinc/85/77/04/432857704.db2.gz SEJDRVBSSNKDBF-MSOLQXFVSA-N 1 0 318.436 3.347 10 0 DGAERO CCSc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245706172 432857817 /nfs/dbraw/zinc/85/78/17/432857817.db2.gz BXGXNRHHIVNMGU-UKRRQHHQSA-N 1 0 319.474 3.499 10 0 DGAERO CC(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000296556366 432921970 /nfs/dbraw/zinc/92/19/70/432921970.db2.gz CGGKICPEAGWCEM-ALOPSCKCSA-N 1 0 302.418 3.317 10 0 DGAERO CC(=O)c1cc(NC(=O)C2(C[NH+](C)C)CCCCC2)ccc1F ZINC000341112142 432964997 /nfs/dbraw/zinc/96/49/97/432964997.db2.gz MGVDGOJJMCQEME-UHFFFAOYSA-N 1 0 320.408 3.479 10 0 DGAERO CCSCc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1 ZINC000155091466 292698670 /nfs/dbraw/zinc/69/86/70/292698670.db2.gz RATZXOUTYKTFQS-ZIAGYGMSSA-N 1 0 306.475 3.104 10 0 DGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCc1ccc2ccccc2c1 ZINC000155135769 292699755 /nfs/dbraw/zinc/69/97/55/292699755.db2.gz XBCJULDZGSMITJ-HOTGVXAUSA-N 1 0 310.441 3.323 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc(C4CCCCC4)ns3)C[C@H]21 ZINC000333246742 433044688 /nfs/dbraw/zinc/04/46/88/433044688.db2.gz FXBBBGDBDOYBDY-MGPQQGTHSA-N 1 0 306.479 3.149 10 0 DGAERO CC(C)(C)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000341270226 433012136 /nfs/dbraw/zinc/01/21/36/433012136.db2.gz HHLMVBNHRKEEDE-MRXNPFEDSA-N 1 0 303.450 3.139 10 0 DGAERO c1cc2c(cccc2CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000298034572 433041654 /nfs/dbraw/zinc/04/16/54/433041654.db2.gz GLVOBUXIGLUTFQ-UHFFFAOYSA-N 1 0 320.440 3.364 10 0 DGAERO COc1cc(Cl)c(NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1C ZINC000333344967 433049907 /nfs/dbraw/zinc/04/99/07/433049907.db2.gz YZYFMCLUTUACDM-UHFFFAOYSA-N 1 0 323.824 3.017 10 0 DGAERO CCc1noc(C)c1NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000155773637 292715722 /nfs/dbraw/zinc/71/57/22/292715722.db2.gz LVEWXVOBKBFKQJ-AWEZNQCLSA-N 1 0 324.469 3.423 10 0 DGAERO COC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156618659 292732752 /nfs/dbraw/zinc/73/27/52/292732752.db2.gz RIIDZEDGWGORBZ-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCCO1 ZINC000246177602 289359724 /nfs/dbraw/zinc/35/97/24/289359724.db2.gz ZBQSXCOOHNNDID-WOSRLPQWSA-N 1 0 324.852 3.017 10 0 DGAERO CC(=O)c1ccc(OC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000290515919 433075398 /nfs/dbraw/zinc/07/53/98/433075398.db2.gz NHQKETDZTUQTBG-QGZVFWFLSA-N 1 0 307.365 3.007 10 0 DGAERO COc1cc(OC)c(C[C@@H](C)[NH2+][C@@H]2CCC2(C)C)c(OC)c1 ZINC000453305567 433079303 /nfs/dbraw/zinc/07/93/03/433079303.db2.gz IZSIYZDZOHCVLO-SJKOYZFVSA-N 1 0 307.434 3.422 10 0 DGAERO CC[C@@H]([NH2+][C@H](C)Cc1c(OC)cc(OC)cc1OC)C1CC1 ZINC000453315305 433085303 /nfs/dbraw/zinc/08/53/03/433085303.db2.gz YAIFTFQTWZJAEB-MLGOLLRUSA-N 1 0 307.434 3.422 10 0 DGAERO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCC12CCC2 ZINC000373104302 433091575 /nfs/dbraw/zinc/09/15/75/433091575.db2.gz NKJQVSOPLVKSBR-UHFFFAOYSA-N 1 0 312.866 3.378 10 0 DGAERO c1ccc2c(c1)CO[C@]21CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000373106918 433092205 /nfs/dbraw/zinc/09/22/05/433092205.db2.gz NYNVEWMPLONFSM-MOPGFXCFSA-N 1 0 317.429 3.051 10 0 DGAERO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCCC12CCC2 ZINC000373117426 433094515 /nfs/dbraw/zinc/09/45/15/433094515.db2.gz GGGCESKHNGXSHU-UHFFFAOYSA-N 1 0 312.457 3.444 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000333729182 433094828 /nfs/dbraw/zinc/09/48/28/433094828.db2.gz HMZPHCFECMQHTE-UBDQQSCGSA-N 1 0 315.461 3.010 10 0 DGAERO COC[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)C1CCCC1 ZINC000446745130 433097482 /nfs/dbraw/zinc/09/74/82/433097482.db2.gz LVIMGVIEZDWDKT-IBGZPJMESA-N 1 0 313.445 3.226 10 0 DGAERO C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157170308 292741246 /nfs/dbraw/zinc/74/12/46/292741246.db2.gz UUHXVIOVUGSRCH-CABCVRRESA-N 1 0 320.481 3.378 10 0 DGAERO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000453367930 433126565 /nfs/dbraw/zinc/12/65/65/433126565.db2.gz PBXSCQNVCFWHJF-MWODSPESSA-N 1 0 301.217 3.298 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@@H](COCc2ccccc2)C(C)C)[nH]n1 ZINC000446937460 433130490 /nfs/dbraw/zinc/13/04/90/433130490.db2.gz DJJSJMPNWRHXLF-BEFAXECRSA-N 1 0 315.461 3.480 10 0 DGAERO CCc1ncc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000453385483 433140577 /nfs/dbraw/zinc/14/05/77/433140577.db2.gz NLMOQMPNKNHLEZ-QAPCUYQASA-N 1 0 313.445 3.237 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@@H]3CN(c4ccnc(C5CC5)n4)C[C@@H]32)cc1 ZINC000425273732 433142775 /nfs/dbraw/zinc/14/27/75/433142775.db2.gz JLFVCSCJAOLZBG-MSOLQXFVSA-N 1 0 320.440 3.065 10 0 DGAERO O[C@H]1CCCC[C@@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000453347769 433107889 /nfs/dbraw/zinc/10/78/89/433107889.db2.gz KZPWSUWQYWBFEY-YSHGAJCASA-N 1 0 303.446 3.295 10 0 DGAERO c1ccc(CN2CCC[C@@H]([NH2+]CCCC3CCOCC3)C2)cc1 ZINC000361432307 433170440 /nfs/dbraw/zinc/17/04/40/433170440.db2.gz LRAGHCBIILVLGK-HXUWFJFHSA-N 1 0 316.489 3.447 10 0 DGAERO FCCCC[NH2+]Cc1cccc(I)c1 ZINC000336699397 433178929 /nfs/dbraw/zinc/17/89/29/433178929.db2.gz WHFZYARMYYRSMT-UHFFFAOYSA-N 1 0 307.150 3.131 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000425364460 433199766 /nfs/dbraw/zinc/19/97/66/433199766.db2.gz XHULPWQGVVDXDN-QWHCGFSZSA-N 1 0 316.264 3.312 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(C)cc2)CC1 ZINC000157786029 292752466 /nfs/dbraw/zinc/75/24/66/292752466.db2.gz QEBDTYAVULNVBK-MRXNPFEDSA-N 1 0 317.477 3.477 10 0 DGAERO CC(C)[C@H]([NH2+]Cc1cnn2ccccc12)C1(CO)CCCC1 ZINC000453596404 433225981 /nfs/dbraw/zinc/22/59/81/433225981.db2.gz APUSXXUIOOFPCY-KRWDZBQOSA-N 1 0 301.434 3.001 10 0 DGAERO COCC[C@@H](c1ccccc1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000361523917 433226096 /nfs/dbraw/zinc/22/60/96/433226096.db2.gz HHSJASZAYIMXOI-PKOBYXMFSA-N 1 0 319.445 3.034 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)cn2)nc1 ZINC000425420220 433230991 /nfs/dbraw/zinc/23/09/91/433230991.db2.gz MEEWZHNNDITHBF-ZWKOTPCHSA-N 1 0 323.440 3.392 10 0 DGAERO CO[C@H]1CC[C@H]([NH2+]Cc2sc(C)cc2Br)C1 ZINC000453610080 433236506 /nfs/dbraw/zinc/23/65/06/433236506.db2.gz QOWLMZSCFBJOFV-UWVGGRQHSA-N 1 0 304.253 3.476 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)cn2)nc1 ZINC000425426147 433238228 /nfs/dbraw/zinc/23/82/28/433238228.db2.gz VJKIAQHTAGDNLZ-IRXDYDNUSA-N 1 0 309.413 3.002 10 0 DGAERO Brc1ccc2c(ccnc2NCC2CCOCC2)c1 ZINC000413106855 433258569 /nfs/dbraw/zinc/25/85/69/433258569.db2.gz PASAZYKMSMWRES-UHFFFAOYSA-N 1 0 321.218 3.836 10 0 DGAERO Brc1ccc2c(ccnc2NC[C@H]2CCCOC2)c1 ZINC000413080912 433259361 /nfs/dbraw/zinc/25/93/61/433259361.db2.gz ZNXABVLEDJQJQX-LLVKDONJSA-N 1 0 321.218 3.836 10 0 DGAERO Brc1ccc2c(ccnc2NC[C@@H]2CCCOC2)c1 ZINC000413080915 433260701 /nfs/dbraw/zinc/26/07/01/433260701.db2.gz ZNXABVLEDJQJQX-NSHDSACASA-N 1 0 321.218 3.836 10 0 DGAERO CCC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccccn1 ZINC000374751835 433271879 /nfs/dbraw/zinc/27/18/79/433271879.db2.gz OFVFHOFAKDOSRZ-RYRKJORJSA-N 1 0 318.461 3.080 10 0 DGAERO OCCCCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000448024318 433353228 /nfs/dbraw/zinc/35/32/28/433353228.db2.gz XQKNHCYJTBVQEC-CYBMUJFWSA-N 1 0 302.340 3.230 10 0 DGAERO COc1ccc([C@H]([NH2+]C2CC3(CCC3)C2)c2nccn2C)cc1 ZINC000448076890 433360336 /nfs/dbraw/zinc/36/03/36/433360336.db2.gz JZHNPNLEAACYJY-KRWDZBQOSA-N 1 0 311.429 3.440 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000361727745 433363476 /nfs/dbraw/zinc/36/34/76/433363476.db2.gz NNZIZCFHPVFLEW-NVXWUHKLSA-N 1 0 318.461 3.046 10 0 DGAERO CN(Cc1ccc(Br)c(F)c1)C[C@@H]1CCC[N@@H+]1C ZINC000421001668 433371036 /nfs/dbraw/zinc/37/10/36/433371036.db2.gz LMWVCXILHZJNJY-LBPRGKRZSA-N 1 0 315.230 3.114 10 0 DGAERO C[C@H]1CCOCC[N@@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC000374994559 433328215 /nfs/dbraw/zinc/32/82/15/433328215.db2.gz AMPVVGGILIUFJG-ZDUSSCGKSA-N 1 0 308.447 3.071 10 0 DGAERO c1ccc(COC2CC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000361665851 433328975 /nfs/dbraw/zinc/32/89/75/433328975.db2.gz DWEZHLBWONFLTE-JIARVOFWSA-N 1 0 313.441 3.281 10 0 DGAERO c1ccc(COC2CC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000361665850 433329213 /nfs/dbraw/zinc/32/92/13/433329213.db2.gz DWEZHLBWONFLTE-DUBPFDJUSA-N 1 0 313.441 3.281 10 0 DGAERO FC(F)(F)c1cccc([C@]2(F)CCN(Cc3cc[nH]n3)C2)c1 ZINC000374993112 433329697 /nfs/dbraw/zinc/32/96/97/433329697.db2.gz DBQDPGYFXQDXDD-AWEZNQCLSA-N 1 0 313.298 3.499 10 0 DGAERO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)C1CCCC1 ZINC000172194732 289871649 /nfs/dbraw/zinc/87/16/49/289871649.db2.gz ZRUDAFUNXGZBHT-GXTWGEPZSA-N 1 0 309.479 3.229 10 0 DGAERO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000375323527 433427438 /nfs/dbraw/zinc/42/74/38/433427438.db2.gz HIIBVCFTWWNRDT-JKSUJKDBSA-N 1 0 322.412 3.065 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[C@H]1O ZINC000300422688 433393128 /nfs/dbraw/zinc/39/31/28/433393128.db2.gz RVJOMEBOHLLCKU-UXIGCNINSA-N 1 0 312.251 3.131 10 0 DGAERO c1cn(-c2ncccc2C[NH2+]Cc2ccc3c(c2)CCCC3)cn1 ZINC000291940705 433401914 /nfs/dbraw/zinc/40/19/14/433401914.db2.gz NBDWNTRZTDBNDG-UHFFFAOYSA-N 1 0 318.424 3.436 10 0 DGAERO CCC[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccccn1 ZINC000158597730 292772176 /nfs/dbraw/zinc/77/21/76/292772176.db2.gz KGWVLYPFMQBLBG-KRWDZBQOSA-N 1 0 303.450 3.159 10 0 DGAERO Cc1csc([C@@H](C)NC(=O)NCCCCC[NH+]2CCCC2)n1 ZINC000454426306 433422168 /nfs/dbraw/zinc/42/21/68/433422168.db2.gz GIUCRXWWHMHAKB-CQSZACIVSA-N 1 0 324.494 3.078 10 0 DGAERO c1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](c3nc(C4CC4)no3)C1)CO2 ZINC000375403801 433452758 /nfs/dbraw/zinc/45/27/58/433452758.db2.gz MSCOZTQOFBJJBJ-MRXNPFEDSA-N 1 0 323.396 3.212 10 0 DGAERO c1cc2c(cccc2C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)[nH]1 ZINC000375406244 433453806 /nfs/dbraw/zinc/45/38/06/433453806.db2.gz SRJVGXCZFUPRAL-AWEZNQCLSA-N 1 0 308.385 3.418 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)ccc1C ZINC000375417460 433456451 /nfs/dbraw/zinc/45/64/51/433456451.db2.gz VCAXCUFPQRMDIW-HNNXBMFYSA-N 1 0 313.401 3.254 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)CSC(C)(C)C)[C@H]1c1ccccc1 ZINC000180143132 290134437 /nfs/dbraw/zinc/13/44/37/290134437.db2.gz BZPPNAAECAGORD-GDBMZVCRSA-N 1 0 306.475 3.080 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000159352869 292791255 /nfs/dbraw/zinc/79/12/55/292791255.db2.gz SVYSMPYIXQLDMJ-KBXCAEBGSA-N 1 0 324.440 3.320 10 0 DGAERO c1cnc(N2CCC[C@H]([NH2+]C3CC4(C3)CCCCC4)C2)nc1 ZINC000421323061 433477236 /nfs/dbraw/zinc/47/72/36/433477236.db2.gz FWTSKSRJSNJVFL-HNNXBMFYSA-N 1 0 300.450 3.148 10 0 DGAERO Brc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000355127726 433481350 /nfs/dbraw/zinc/48/13/50/433481350.db2.gz BACSPSRCSVKRTJ-UKRRQHHQSA-N 1 0 310.235 3.450 10 0 DGAERO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC000301342378 433513150 /nfs/dbraw/zinc/51/31/50/433513150.db2.gz QYSWOQGBRLTLGW-DFNIBXOVSA-N 1 0 322.456 3.417 10 0 DGAERO CC(C)[C@@H]1C[N@H+](C)CCN1c1ncnc2cc(Cl)ccc21 ZINC000301365508 433526523 /nfs/dbraw/zinc/52/65/23/433526523.db2.gz NSFHCDYDAPRRMW-HNNXBMFYSA-N 1 0 304.825 3.060 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C)c(Cl)c2Cl)C1 ZINC000448761043 433531816 /nfs/dbraw/zinc/53/18/16/433531816.db2.gz IDBDSPOYMFJFBT-LLVKDONJSA-N 1 0 315.244 3.373 10 0 DGAERO c1cnn(-c2cccc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)c2)c1 ZINC000355209990 433534213 /nfs/dbraw/zinc/53/42/13/433534213.db2.gz SBYDGRKJIXOESG-ROUUACIJSA-N 1 0 311.429 3.121 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)C2(Cc3cccc(Cl)c3)CC2)C1 ZINC000448765306 433536650 /nfs/dbraw/zinc/53/66/50/433536650.db2.gz XRAMSMINIPTGMQ-OAHLLOKOSA-N 1 0 320.864 3.121 10 0 DGAERO CC(=O)N(C)C1CC[NH+](Cc2ccc3nc(C)sc3c2)CC1 ZINC000426407142 433485863 /nfs/dbraw/zinc/48/58/63/433485863.db2.gz TYIRXZZNYCEADO-UHFFFAOYSA-N 1 0 317.458 3.047 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Sc1ccccc1 ZINC000362023757 433496959 /nfs/dbraw/zinc/49/69/59/433496959.db2.gz XGUARRAMVYLPNE-ZBFHGGJFSA-N 1 0 306.475 3.158 10 0 DGAERO c1cc(-c2ccc(CN3CCC[N@@H+](C4CCCC4)CC3)o2)n[nH]1 ZINC000375740500 433548882 /nfs/dbraw/zinc/54/88/82/433548882.db2.gz GBJHPHGIZMDNBX-UHFFFAOYSA-N 1 0 314.433 3.120 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)[nH]n1 ZINC000375787355 433561651 /nfs/dbraw/zinc/56/16/51/433561651.db2.gz OPDVZNYPDPOUGK-MLGOLLRUSA-N 1 0 301.438 3.283 10 0 DGAERO Cc1ccc2c(C[N@H+]3CCOCC[C@H]3C)cc(=O)oc2c1C ZINC000362235887 433594932 /nfs/dbraw/zinc/59/49/32/433594932.db2.gz LKXDJYKTHSVDRP-CYBMUJFWSA-N 1 0 301.386 3.021 10 0 DGAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)CC/C=C/c1ccccc1 ZINC000456340930 433600986 /nfs/dbraw/zinc/60/09/86/433600986.db2.gz ASXDBUVDBGYNFS-HCWHUNCVSA-N 1 0 300.446 3.423 10 0 DGAERO C[C@H]1C[C@@H](Nc2ccc(-c3ccc(F)cc3)nn2)C[N@@H+]1C1CC1 ZINC000301542728 433604159 /nfs/dbraw/zinc/60/41/59/433604159.db2.gz CUXJPLYTUFOGLJ-SWLSCSKDSA-N 1 0 312.392 3.320 10 0 DGAERO C[C@@H]1C[C@H](Nc2ccc(-c3ccc(F)cc3)nn2)C[N@@H+]1C1CC1 ZINC000301542726 433604284 /nfs/dbraw/zinc/60/42/84/433604284.db2.gz CUXJPLYTUFOGLJ-DOMZBBRYSA-N 1 0 312.392 3.320 10 0 DGAERO COc1ccc([C@@H](CNc2nnc(C3CC3)s2)[NH+](C)C)cc1 ZINC000301713761 433692428 /nfs/dbraw/zinc/69/24/28/433692428.db2.gz ZBNQWLZOINUAFT-CQSZACIVSA-N 1 0 318.446 3.139 10 0 DGAERO c1cn(Cc2ccccc2)c(C[NH2+]C[C@@H]2COc3ccccc32)n1 ZINC000342413473 433674055 /nfs/dbraw/zinc/67/40/55/433674055.db2.gz FUAJFNZKZLIXQQ-QGZVFWFLSA-N 1 0 319.408 3.197 10 0 DGAERO CC(C)[N@@H+](Cc1cccc(F)c1Br)C[C@@H](C)O ZINC000449023689 433676981 /nfs/dbraw/zinc/67/69/81/433676981.db2.gz TUZWRBPHAOSDIK-SNVBAGLBSA-N 1 0 304.203 3.179 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cnc3ccccn13)CC2 ZINC000339624753 433688286 /nfs/dbraw/zinc/68/82/86/433688286.db2.gz OBKFBYYEXAILCO-UHFFFAOYSA-N 1 0 319.408 3.138 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000367127344 293028030 /nfs/dbraw/zinc/02/80/30/293028030.db2.gz RXWJDBZJFKFRQZ-JQHSSLGASA-N 1 0 303.446 3.213 10 0 DGAERO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367247251 293043446 /nfs/dbraw/zinc/04/34/46/293043446.db2.gz SVPFKIFTXDNESG-QLFBSQMISA-N 1 0 315.523 3.064 10 0 DGAERO Brc1csc(C[NH2+][C@H]2CCCc3n[nH]cc32)c1 ZINC000367598201 293088237 /nfs/dbraw/zinc/08/82/37/293088237.db2.gz DDFGSFVWKDHPOA-NSHDSACASA-N 1 0 312.236 3.401 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000368173216 293099645 /nfs/dbraw/zinc/09/96/45/293099645.db2.gz KAJCSRIQCPELEL-QGZVFWFLSA-N 1 0 311.429 3.325 10 0 DGAERO Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000368325885 293115400 /nfs/dbraw/zinc/11/54/00/293115400.db2.gz DBFGWMCUIREYPU-LJQANCHMSA-N 1 0 321.424 3.055 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000370060297 293152347 /nfs/dbraw/zinc/15/23/47/293152347.db2.gz BCDPTUDVTBGXDE-UHFFFAOYSA-N 1 0 311.429 3.454 10 0 DGAERO Brc1cscc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370204432 293163265 /nfs/dbraw/zinc/16/32/65/293163265.db2.gz PZVOMOUQVQZNRA-VXGBXAGGSA-N 1 0 315.280 3.227 10 0 DGAERO C[NH+]1CCC(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000373839334 293321616 /nfs/dbraw/zinc/32/16/16/293321616.db2.gz NLJJAYYWSHDBAQ-KOMQPUFPSA-N 1 0 306.837 3.044 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCOCC4(CCCC4)C3)o2)n[nH]1 ZINC000373833726 293321810 /nfs/dbraw/zinc/32/18/10/293321810.db2.gz WYDHLZUOJQURED-UHFFFAOYSA-N 1 0 301.390 3.062 10 0 DGAERO OC[C@H]1CCCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000374036506 293344926 /nfs/dbraw/zinc/34/49/26/293344926.db2.gz HHBLUWJNTZLDQW-JTQLQIEISA-N 1 0 304.253 3.105 10 0 DGAERO c1cc([C@@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)ncn1 ZINC000374100633 293351873 /nfs/dbraw/zinc/35/18/73/293351873.db2.gz FSUUSLWUMVEPCX-QGZVFWFLSA-N 1 0 303.450 3.253 10 0 DGAERO COc1c(C)cnc(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c1C ZINC000362441717 433715203 /nfs/dbraw/zinc/71/52/03/433715203.db2.gz TYNFKIDYQXJMDT-QAPCUYQASA-N 1 0 306.450 3.342 10 0 DGAERO c1cnn(-c2ccc(C[N@H+]3CCOC[C@H]3CC3CCC3)cc2)c1 ZINC000339768922 433771645 /nfs/dbraw/zinc/77/16/45/433771645.db2.gz VTOSEDLNTUEAKA-LJQANCHMSA-N 1 0 311.429 3.263 10 0 DGAERO CS(=O)(=O)CC1CCC([NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000449370888 433738294 /nfs/dbraw/zinc/73/82/94/433738294.db2.gz OAURBQHBZWGRAF-BNICSPFPSA-N 1 0 313.507 3.148 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000376491472 433752764 /nfs/dbraw/zinc/75/27/64/433752764.db2.gz LQILLTCPEXMDAB-CVEARBPZSA-N 1 0 324.465 3.077 10 0 DGAERO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000376501651 433757475 /nfs/dbraw/zinc/75/74/75/433757475.db2.gz QYMHCZARUNDZPO-YJLNNSPDSA-N 1 0 313.441 3.306 10 0 DGAERO COc1cccc([C@H]2C[C@H]([NH2+]Cc3cnn4ccccc34)C2)c1 ZINC000449617379 433760359 /nfs/dbraw/zinc/76/03/59/433760359.db2.gz HOEGOJGLGWPXOA-JCNLHEQBSA-N 1 0 307.397 3.379 10 0 DGAERO Fc1ccc(CC[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1F ZINC000376532804 433765645 /nfs/dbraw/zinc/76/56/45/433765645.db2.gz NQYHLMMOHWTWHV-INIZCTEOSA-N 1 0 318.367 3.193 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(c3ccnc4c(F)cc(F)cc34)CC[C@H]21 ZINC000302404427 433821700 /nfs/dbraw/zinc/82/17/00/433821700.db2.gz GHURGFSAPCLLPR-MLGOLLRUSA-N 1 0 317.383 3.434 10 0 DGAERO Clc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1Br ZINC000375809672 293572896 /nfs/dbraw/zinc/57/28/96/293572896.db2.gz UMCWNSDFEKWJBL-RTCCRHLQSA-N 1 0 316.626 3.085 10 0 DGAERO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1nc(C2CC2)no1 ZINC000284282731 433875592 /nfs/dbraw/zinc/87/55/92/433875592.db2.gz NKXSCCYFKZMHIE-MAZHCROVSA-N 1 0 312.417 3.043 10 0 DGAERO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000376132289 293618664 /nfs/dbraw/zinc/61/86/64/293618664.db2.gz LUVLSCNKOQTTDU-HZPDHXFCSA-N 1 0 321.428 3.249 10 0 DGAERO O=C(C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)NC1CCCCC1 ZINC000436229424 433911963 /nfs/dbraw/zinc/91/19/63/433911963.db2.gz FALUGUVINWIYGY-MJGOQNOKSA-N 1 0 314.473 3.436 10 0 DGAERO C[C@@H]1CCC[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000362927934 433912369 /nfs/dbraw/zinc/91/23/69/433912369.db2.gz NDVHBNIVFODTND-CQSZACIVSA-N 1 0 303.402 3.153 10 0 DGAERO O=C(C1CCN(c2cc[nH+]c3ccccc32)CC1)N1CCCCC1 ZINC000377612014 433924518 /nfs/dbraw/zinc/92/45/18/433924518.db2.gz RHRHALZYWPIQGY-UHFFFAOYSA-N 1 0 323.440 3.464 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NCc1cc(Br)ccc1Cl ZINC000414937910 433926736 /nfs/dbraw/zinc/92/67/36/433926736.db2.gz CVHUPAXRIHVFQJ-TVQRCGJNSA-N 1 0 317.658 3.190 10 0 DGAERO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC000422691188 433933174 /nfs/dbraw/zinc/93/31/74/433933174.db2.gz IAHQXKWJRUCXQV-FKJOKYEKSA-N 1 0 309.251 3.383 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)C2(C)CCC2)[C@@H]1c1cccs1 ZINC000362863784 433887708 /nfs/dbraw/zinc/88/77/08/433887708.db2.gz LWWZAKVEBLJEMY-UKRRQHHQSA-N 1 0 306.475 3.437 10 0 DGAERO c1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCNCc2cccnc2)cc1 ZINC000414876298 433894884 /nfs/dbraw/zinc/89/48/84/433894884.db2.gz KMIPONCHDNXSAV-PMACEKPBSA-N 1 0 309.457 3.487 10 0 DGAERO C[C@H]1C[C@H](NC(=O)Cc2csc3ccccc23)CC[N@@H+]1C ZINC000357383830 433982493 /nfs/dbraw/zinc/98/24/93/433982493.db2.gz FAPAYHMZAAVGNV-GXTWGEPZSA-N 1 0 302.443 3.043 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000457103429 433988114 /nfs/dbraw/zinc/98/81/14/433988114.db2.gz AUKCJXPVHUMLQT-LZWOXQAQSA-N 1 0 322.399 3.009 10 0 DGAERO COc1cccc(C2=CCN(CC[NH+]3CCCCC3)CC2)c1 ZINC000363245447 434003347 /nfs/dbraw/zinc/00/33/47/434003347.db2.gz WKUODPDMUSXSCO-UHFFFAOYSA-N 1 0 300.446 3.270 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC000304582864 434013550 /nfs/dbraw/zinc/01/35/50/434013550.db2.gz JZZPQUWULUISGD-NXEZZACHSA-N 1 0 304.253 3.151 10 0 DGAERO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000400329026 293863429 /nfs/dbraw/zinc/86/34/29/293863429.db2.gz BIGJIUOVHHOWRT-GDBMZVCRSA-N 1 0 319.449 3.125 10 0 DGAERO C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCC[C@@H](O)C1 ZINC000310158569 434109818 /nfs/dbraw/zinc/10/98/18/434109818.db2.gz QRMKEVCXABCWHV-ZYHUDNBSSA-N 1 0 318.280 3.494 10 0 DGAERO C[C@@H]1CN(Cc2cc(F)ccc2Br)C[C@@]1(C)C[NH3+] ZINC000310901439 434113092 /nfs/dbraw/zinc/11/30/92/434113092.db2.gz MWGABBYXEZNTPI-QMTHXVAHSA-N 1 0 315.230 3.005 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]2C)c(Br)c1 ZINC000310854238 434113481 /nfs/dbraw/zinc/11/34/81/434113481.db2.gz DLXVTZVXCHKRIO-TVQRCGJNSA-N 1 0 312.207 3.124 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000313033024 434119835 /nfs/dbraw/zinc/11/98/35/434119835.db2.gz KHHFEHIZVKODQP-KBPBESRZSA-N 1 0 310.235 3.451 10 0 DGAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000309811775 434102020 /nfs/dbraw/zinc/10/20/20/434102020.db2.gz MXXXEBYWXJBHHF-GOEBONIOSA-N 1 0 310.397 3.202 10 0 DGAERO C[C@@H]([NH2+]CCc1cn(C)cn1)c1cc(Br)cs1 ZINC000313254157 434128875 /nfs/dbraw/zinc/12/88/75/434128875.db2.gz OMCXBRQPSPJIPV-SECBINFHSA-N 1 0 314.252 3.137 10 0 DGAERO C[N@H+](CCNC(=O)NC1(c2ccccc2)CCCCC1)C1CC1 ZINC000506801998 294277291 /nfs/dbraw/zinc/27/72/91/294277291.db2.gz RWLJWSCGKZWJKJ-UHFFFAOYSA-N 1 0 315.461 3.239 10 0 DGAERO C[NH+]1CCC(C)(CNC(=O)CC/C=C\c2ccccc2)CC1 ZINC000507673907 294307336 /nfs/dbraw/zinc/30/73/36/294307336.db2.gz GEYIJBUCOOQEJN-POHAHGRESA-N 1 0 300.446 3.328 10 0 DGAERO C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508115562 294317464 /nfs/dbraw/zinc/31/74/64/294317464.db2.gz CEELUNATXASIJI-FGTMMUONSA-N 1 0 321.509 3.473 10 0 DGAERO COC[C@H]([NH2+]Cc1ccc2c(c1)OC(F)(F)O2)c1ccccc1 ZINC000508981532 294337640 /nfs/dbraw/zinc/33/76/40/294337640.db2.gz ZTBWXKCWIIDEFZ-AWEZNQCLSA-N 1 0 321.323 3.485 10 0 DGAERO CC(C)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509963151 294370156 /nfs/dbraw/zinc/37/01/56/294370156.db2.gz HJJRPMVUFFQKGP-WMZOPIPTSA-N 1 0 302.462 3.244 10 0 DGAERO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](CO)CC1CCCC1 ZINC000510981929 294398505 /nfs/dbraw/zinc/39/85/05/294398505.db2.gz SRKHKALMRNUALV-OALUTQOASA-N 1 0 323.452 3.304 10 0 DGAERO C[C@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc(F)cc1N(C)C ZINC000511020003 294398963 /nfs/dbraw/zinc/39/89/63/294398963.db2.gz VCUTZVBUIUZJME-BBRMVZONSA-N 1 0 308.441 3.484 10 0 DGAERO CC(C)[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000457381285 434135418 /nfs/dbraw/zinc/13/54/18/434135418.db2.gz QTDUQHNUTRBDIF-NSHDSACASA-N 1 0 324.730 3.203 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)NCC[N@H+](C)C1CC1 ZINC000357721269 434150920 /nfs/dbraw/zinc/15/09/20/434150920.db2.gz LZLOVCRTBGXVML-KRWDZBQOSA-N 1 0 318.461 3.178 10 0 DGAERO CSCC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378391581 434169496 /nfs/dbraw/zinc/16/94/96/434169496.db2.gz CKZKVRHSBIKVLR-UHFFFAOYSA-N 1 0 314.495 3.072 10 0 DGAERO C(=C/c1ccccc1)\CC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000450448454 434190602 /nfs/dbraw/zinc/19/06/02/434190602.db2.gz CHBBHMPMYDCBJI-KUIFVVTRSA-N 1 0 314.473 3.277 10 0 DGAERO c1coc(-c2cc(C[N@H+]3CC[C@@H](Cc4ccncc4)C3)no2)c1 ZINC000364038837 434212774 /nfs/dbraw/zinc/21/27/74/434212774.db2.gz BBIGCHHDRCGLJP-HNNXBMFYSA-N 1 0 309.369 3.394 10 0 DGAERO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000378542203 434217109 /nfs/dbraw/zinc/21/71/09/434217109.db2.gz UFKOITKCFVLCBQ-MRXNPFEDSA-N 1 0 324.428 3.251 10 0 DGAERO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1)[NH+](C)C ZINC000437275201 434240540 /nfs/dbraw/zinc/24/05/40/434240540.db2.gz PAYUPDDKTFANHG-OTWHNJEPSA-N 1 0 310.441 3.398 10 0 DGAERO c1cc2c(s1)CCC[C@@H]2[NH2+]CCCNCc1cccnc1 ZINC000423194518 434276196 /nfs/dbraw/zinc/27/61/96/434276196.db2.gz YYMQHMNEZBXBKU-INIZCTEOSA-N 1 0 301.459 3.290 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000357931008 434252762 /nfs/dbraw/zinc/25/27/62/434252762.db2.gz OVOUAWUTDOEBFD-INIZCTEOSA-N 1 0 323.868 3.215 10 0 DGAERO C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000381738898 434272096 /nfs/dbraw/zinc/27/20/96/434272096.db2.gz OQGOZECIMFTYJH-ISTVAULSSA-N 1 0 304.217 3.121 10 0 DGAERO CSC1(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)CCC1 ZINC000381925919 434273492 /nfs/dbraw/zinc/27/34/92/434273492.db2.gz PVUHUMLTQFFBBY-GFCCVEGCSA-N 1 0 302.484 3.165 10 0 DGAERO O[C@H]1CCC[C@@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000382005212 434273645 /nfs/dbraw/zinc/27/36/45/434273645.db2.gz SAYDQKBZWFZGFR-MSOLQXFVSA-N 1 0 303.446 3.219 10 0 DGAERO c1cncc(CNCCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000423190643 434274998 /nfs/dbraw/zinc/27/49/98/434274998.db2.gz RGOAEKHGMBJXAY-AZUAARDMSA-N 1 0 324.472 3.272 10 0 DGAERO Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H]3CC=CCC3)CCCN2C)cn1 ZINC000328652364 434297530 /nfs/dbraw/zinc/29/75/30/434297530.db2.gz WKFKVMWMUDOGHM-ZIFCJYIRSA-N 1 0 316.493 3.091 10 0 DGAERO Nc1ccc(N[C@H]2CCC[N@H+](Cc3cccs3)CC2)cn1 ZINC000328655248 434298337 /nfs/dbraw/zinc/29/83/37/434298337.db2.gz YFOBKPYWIWZTNO-ZDUSSCGKSA-N 1 0 302.447 3.192 10 0 DGAERO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000386196328 434306667 /nfs/dbraw/zinc/30/66/67/434306667.db2.gz BLQQAWNCLDBQQN-AAEUAGOBSA-N 1 0 306.793 3.198 10 0 DGAERO CCCO[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000366047509 434318811 /nfs/dbraw/zinc/31/88/11/434318811.db2.gz DXEATMQUYXXIGQ-CQSZACIVSA-N 1 0 303.406 3.451 10 0 DGAERO CC(C)c1nnc(CN2CCC(CCC[NH+](C)C)CC2)s1 ZINC000450663831 434324966 /nfs/dbraw/zinc/32/49/66/434324966.db2.gz YPEOOXDOBHOAEO-UHFFFAOYSA-N 1 0 310.511 3.215 10 0 DGAERO C[C@@H]1CN([C@@H]2CCc3ccc(Br)cc32)C[C@@]1(C)C[NH3+] ZINC000388269693 434331518 /nfs/dbraw/zinc/33/15/18/434331518.db2.gz MXKHGNKWEDGHIJ-HFBAOOFYSA-N 1 0 323.278 3.353 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2sc(Br)cc21)C(C)(C)O ZINC000382348906 434278087 /nfs/dbraw/zinc/27/80/87/434278087.db2.gz GEFDABKZOQZOEK-VXNVDRBHSA-N 1 0 304.253 3.247 10 0 DGAERO O[C@@H](C[NH2+]Cc1ccsc1Br)c1ccsc1 ZINC000388813980 434337034 /nfs/dbraw/zinc/33/70/34/434337034.db2.gz FMEFWKJHUFFCGW-JTQLQIEISA-N 1 0 318.261 3.395 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNCc1ccsc1Br ZINC000388877342 434339828 /nfs/dbraw/zinc/33/98/28/434339828.db2.gz FZQHAVVXKNCEBI-LLVKDONJSA-N 1 0 303.269 3.085 10 0 DGAERO CCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000389192338 434349021 /nfs/dbraw/zinc/34/90/21/434349021.db2.gz VSMAFQNUYYZSBK-ONGXEEELSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@@]1(C[NH2+]C[C@H]2CCSC2)CCCN1Cc1ccccc1 ZINC000397873140 434447239 /nfs/dbraw/zinc/44/72/39/434447239.db2.gz IYQXKUNCLCSEHG-MSOLQXFVSA-N 1 0 304.503 3.384 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366544046 434447406 /nfs/dbraw/zinc/44/74/06/434447406.db2.gz KFLMIGJIFIXMJQ-KRWDZBQOSA-N 1 0 311.429 3.325 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@H]2CC3CCC2CC3)cs1)C1CC1 ZINC000353812216 434447753 /nfs/dbraw/zinc/44/77/53/434447753.db2.gz XFGJRDHSGGHSSY-ZUEPYMLJSA-N 1 0 319.474 3.327 10 0 DGAERO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(Cl)c(F)c1 ZINC000393705565 434397503 /nfs/dbraw/zinc/39/75/03/434397503.db2.gz QDAYJIYWPBEWKI-DGIBIBHMSA-N 1 0 303.830 3.431 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)cc2)cn1 ZINC000353753777 434400801 /nfs/dbraw/zinc/40/08/01/434400801.db2.gz PGEHZXDQNCMSGF-LJQANCHMSA-N 1 0 311.429 3.265 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCSC[C@@H]2CCO)C1 ZINC000438107727 434406139 /nfs/dbraw/zinc/40/61/39/434406139.db2.gz WGGNNMRQNYFXPO-BZSNNMDCSA-N 1 0 305.487 3.297 10 0 DGAERO C[C@@H]([NH2+]Cc1cccc(Br)c1F)[C@@H]1CCCO1 ZINC000394907789 434406883 /nfs/dbraw/zinc/40/68/83/434406883.db2.gz LAPLEIYEHZATFY-SKDRFNHKSA-N 1 0 302.187 3.245 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(Br)c1F)[C@@H]1CCCO1 ZINC000394907785 434407759 /nfs/dbraw/zinc/40/77/59/434407759.db2.gz LAPLEIYEHZATFY-CABZTGNLSA-N 1 0 302.187 3.245 10 0 DGAERO CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000396970888 434425188 /nfs/dbraw/zinc/42/51/88/434425188.db2.gz LTXMKKCFCSSLIR-HRVKUGKESA-N 1 0 314.473 3.339 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000366493258 434433927 /nfs/dbraw/zinc/43/39/27/434433927.db2.gz VVFNEQNARLADAX-WMZOPIPTSA-N 1 0 316.445 3.057 10 0 DGAERO C[C@@H]1C[C@@H](C)N(C(=O)c2cc3sccc3s2)C[C@H]1C[NH3+] ZINC000397480631 434438766 /nfs/dbraw/zinc/43/87/66/434438766.db2.gz NCPGYJDAABJIGU-GMTAPVOTSA-N 1 0 308.472 3.408 10 0 DGAERO Fc1cccc(C[NH2+]CC2=CCOCC2)c1Br ZINC000397656937 434441990 /nfs/dbraw/zinc/44/19/90/434441990.db2.gz YUOBMAVXIRVSBV-UHFFFAOYSA-N 1 0 300.171 3.025 10 0 DGAERO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1Br ZINC000399075644 434469641 /nfs/dbraw/zinc/46/96/41/434469641.db2.gz MOJYFKPIAQXNQS-KKUMJFAQSA-N 1 0 324.262 3.350 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC000399027134 434470300 /nfs/dbraw/zinc/47/03/00/434470300.db2.gz HRERVSMXZLDKEA-LALPHHSUSA-N 1 0 311.267 3.110 10 0 DGAERO CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000458112841 434485150 /nfs/dbraw/zinc/48/51/50/434485150.db2.gz QPZOZKBBWVZMNW-HKUYNNGSSA-N 1 0 300.446 3.447 10 0 DGAERO COCCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400334100 434488231 /nfs/dbraw/zinc/48/82/31/434488231.db2.gz FNUPVDIUZNPKPD-GJZGRUSLSA-N 1 0 314.470 3.038 10 0 DGAERO C[C@H](NCc1ccccc1OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400750542 434489498 /nfs/dbraw/zinc/48/94/98/434489498.db2.gz MTDVWQMUELMAAC-FUHWJXTLSA-N 1 0 310.441 3.353 10 0 DGAERO CSC1(C[NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400731662 434490614 /nfs/dbraw/zinc/49/06/14/434490614.db2.gz QSPPBKDZHMSIHV-OLZOCXBDSA-N 1 0 314.495 3.117 10 0 DGAERO CCC[C@H](C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)OC ZINC000400720057 434491749 /nfs/dbraw/zinc/49/17/49/434491749.db2.gz OFFKERNXZSZCPE-RBSFLKMASA-N 1 0 314.470 3.037 10 0 DGAERO CCC[C@H](C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)OC ZINC000400720055 434491961 /nfs/dbraw/zinc/49/19/61/434491961.db2.gz OFFKERNXZSZCPE-QLFBSQMISA-N 1 0 314.470 3.037 10 0 DGAERO Cc1nnc(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)s1 ZINC000296059323 434494332 /nfs/dbraw/zinc/49/43/32/434494332.db2.gz GCOQWEUPIFODIT-LSDHHAIUSA-N 1 0 317.458 3.320 10 0 DGAERO Cc1nnc(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)s1 ZINC000296059300 434495650 /nfs/dbraw/zinc/49/56/50/434495650.db2.gz GCOQWEUPIFODIT-GJZGRUSLSA-N 1 0 317.458 3.320 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](N(C)c2ncnc3c4ccccc4oc32)C1 ZINC000450950421 434498194 /nfs/dbraw/zinc/49/81/94/434498194.db2.gz MQVURMQRHODQRT-ZDUSSCGKSA-N 1 0 310.401 3.295 10 0 DGAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000423648138 434503410 /nfs/dbraw/zinc/50/34/10/434503410.db2.gz RJFBRLDUQCCSNL-GZMMTYOYSA-N 1 0 319.257 3.034 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CS1 ZINC000398092749 434455571 /nfs/dbraw/zinc/45/55/71/434455571.db2.gz JTNJTNGLYSHEFD-CIRFHOKZSA-N 1 0 304.503 3.381 10 0 DGAERO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Cl)ccc1Cl ZINC000404194507 434506628 /nfs/dbraw/zinc/50/66/28/434506628.db2.gz LIDWTRINKGJKNI-IINYFYTJSA-N 1 0 304.217 3.186 10 0 DGAERO O[C@]1(CC[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)CCOC1 ZINC000404192250 434506722 /nfs/dbraw/zinc/50/67/22/434506722.db2.gz KAFAQPOZMIVARA-CYBMUJFWSA-N 1 0 324.635 3.278 10 0 DGAERO c1cc(COc2ccc(C[N@@H+]3CCOCC4(CC4)C3)cc2)ccn1 ZINC000360088767 434511906 /nfs/dbraw/zinc/51/19/06/434511906.db2.gz NMWMJYAZCGSDCW-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCCCC1CC1 ZINC000523474880 294949123 /nfs/dbraw/zinc/94/91/23/294949123.db2.gz RBPXVRWKQHOVFJ-UHFFFAOYSA-N 1 0 309.498 3.330 10 0 DGAERO c1c([C@@H]2CCC[NH2+]C2)nnn1Cc1ccc(-c2ccccc2)cc1 ZINC000404895445 434524852 /nfs/dbraw/zinc/52/48/52/434524852.db2.gz YMGMPOHCDYGBTM-LJQANCHMSA-N 1 0 318.424 3.460 10 0 DGAERO c1ccc(OCCCCN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000526124293 295059850 /nfs/dbraw/zinc/05/98/50/295059850.db2.gz DVEJOJOZDORHAR-GOSISDBHSA-N 1 0 302.462 3.406 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@H]1CCOC1 ZINC000527664182 295112276 /nfs/dbraw/zinc/11/22/76/295112276.db2.gz BSQJJZIDBIRXCD-WPRPVWTQSA-N 1 0 320.177 3.242 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527715600 295119958 /nfs/dbraw/zinc/11/99/58/295119958.db2.gz GRLYVMDEQWHJLX-SNVBAGLBSA-N 1 0 320.177 3.242 10 0 DGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccsc2Br)[C@@H](C)O1 ZINC000527720650 295120685 /nfs/dbraw/zinc/12/06/85/295120685.db2.gz OZJNAOKJFSOZIV-KKZNHRDASA-N 1 0 304.253 3.414 10 0 DGAERO Brc1ccc(C[NH2+]CC[C@@H]2CCCOC2)s1 ZINC000527735884 295122733 /nfs/dbraw/zinc/12/27/33/295122733.db2.gz DMUARVBLQIJHTL-JTQLQIEISA-N 1 0 304.253 3.417 10 0 DGAERO c1c(C[NH2+][C@@H](c2ccccn2)C2CCC2)[nH]nc1-c1cccnc1 ZINC000527772347 295127905 /nfs/dbraw/zinc/12/79/05/295127905.db2.gz LZLPJMYYENTUDZ-LJQANCHMSA-N 1 0 319.412 3.498 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000527805642 295133712 /nfs/dbraw/zinc/13/37/12/295133712.db2.gz VEPXXGQFBKXJNP-QOBXEIRBSA-N 1 0 314.223 3.056 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1sccc1Br ZINC000527807411 295133898 /nfs/dbraw/zinc/13/38/98/295133898.db2.gz ZRYLWMCBRWVTQK-APOZVJGGSA-N 1 0 304.253 3.412 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000527807341 295134123 /nfs/dbraw/zinc/13/41/23/295134123.db2.gz ZIKKPMGYLRKQEI-LFNDISMMSA-N 1 0 314.223 3.056 10 0 DGAERO c1ccc(CCCOc2cccc(C[NH2+]CC3COC3)c2)cc1 ZINC000527817068 295136043 /nfs/dbraw/zinc/13/60/43/295136043.db2.gz KKIDXRDLVWOWSP-UHFFFAOYSA-N 1 0 311.425 3.434 10 0 DGAERO c1cc(-c2nc3ccccc3s2)oc1C[NH2+]CC1COC1 ZINC000527821052 295136244 /nfs/dbraw/zinc/13/62/44/295136244.db2.gz WDJUPRQRBZWCIP-UHFFFAOYSA-N 1 0 300.383 3.292 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000527998660 295162547 /nfs/dbraw/zinc/16/25/47/295162547.db2.gz BTYKYZWWLBTZEM-LMCLKVLCSA-N 1 0 302.462 3.053 10 0 DGAERO c1nc([C@@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)C2CCCCC2)n[nH]1 ZINC000527999145 295163312 /nfs/dbraw/zinc/16/33/12/295163312.db2.gz FNROHDHLAWJJNN-IRXDYDNUSA-N 1 0 317.481 3.033 10 0 DGAERO C([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CCN1C1CCCC1 ZINC000528015884 295167372 /nfs/dbraw/zinc/16/73/72/295167372.db2.gz ZNLNOHMSLYJFQV-GOSISDBHSA-N 1 0 306.494 3.332 10 0 DGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)cc1 ZINC000360328031 434576705 /nfs/dbraw/zinc/57/67/05/434576705.db2.gz CXPRADUKHBZVFT-FCZZECIWSA-N 1 0 319.445 3.043 10 0 DGAERO [NH3+]C1(c2noc([C@@H]3CCCO[C@H]3c3ccccc3)n2)CCCC1 ZINC000261844227 295209560 /nfs/dbraw/zinc/20/95/60/295209560.db2.gz SFAUQVIUSXSBTJ-CABCVRRESA-N 1 0 313.401 3.433 10 0 DGAERO CCn1nncc1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000459387632 434575094 /nfs/dbraw/zinc/57/50/94/434575094.db2.gz NFAIZFCCEWFFDF-SNVBAGLBSA-N 1 0 314.311 3.047 10 0 DGAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000178061015 295278262 /nfs/dbraw/zinc/27/82/62/295278262.db2.gz SNTPXSICWLAMLS-OAHLLOKOSA-N 1 0 316.788 3.052 10 0 DGAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261753794 295298122 /nfs/dbraw/zinc/29/81/22/295298122.db2.gz UDMNBINTPDZXQC-MROQNXINSA-N 1 0 306.372 3.131 10 0 DGAERO CC(=O)NC1CCC([N@H+](C)Cc2ccc(C3CC3)cc2)CC1 ZINC000459481948 434587009 /nfs/dbraw/zinc/58/70/09/434587009.db2.gz NJIALDLDFQXYQO-UHFFFAOYSA-N 1 0 300.446 3.443 10 0 DGAERO O[C@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000349273833 434657510 /nfs/dbraw/zinc/65/75/10/434657510.db2.gz FLHQLNJZCPVLBY-SNVBAGLBSA-N 1 0 302.123 3.396 10 0 DGAERO Cc1ncc(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)o1 ZINC000459674745 434659843 /nfs/dbraw/zinc/65/98/43/434659843.db2.gz LDOHMCONAPMWKC-IAGOWNOFSA-N 1 0 300.402 3.457 10 0 DGAERO O=C(N[C@H]1CCCC(F)(F)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439996814 434669628 /nfs/dbraw/zinc/66/96/28/434669628.db2.gz UFSXWBJBLORQQD-JSGCOSHPSA-N 1 0 300.393 3.088 10 0 DGAERO C(C1CCCCCC1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000371362126 434679531 /nfs/dbraw/zinc/67/95/31/434679531.db2.gz XSEXCAPCOGTHEM-UHFFFAOYSA-N 1 0 302.466 3.374 10 0 DGAERO c1ncn(-c2ccc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)cc2)n1 ZINC000371397997 434690649 /nfs/dbraw/zinc/69/06/49/434690649.db2.gz GQILHLNVQIDFCG-IAGOWNOFSA-N 1 0 314.458 3.127 10 0 DGAERO Cc1cccc(C(C)(C)NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000460239646 434750204 /nfs/dbraw/zinc/75/02/04/434750204.db2.gz CDGGVCQWMWRFJP-UHFFFAOYSA-N 1 0 315.461 3.181 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000360963309 434742983 /nfs/dbraw/zinc/74/29/83/434742983.db2.gz BGNFALYGYBNFAP-UHFFFAOYSA-N 1 0 312.413 3.369 10 0 DGAERO CC(C)COC[C@H](O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000440935031 434756240 /nfs/dbraw/zinc/75/62/40/434756240.db2.gz KRIVPDXRUOXSPA-GOSISDBHSA-N 1 0 305.462 3.469 10 0 DGAERO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000460366951 434756402 /nfs/dbraw/zinc/75/64/02/434756402.db2.gz UFPMACMMBGWGSN-DTWKUNHWSA-N 1 0 320.252 3.188 10 0 DGAERO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000460366952 434756432 /nfs/dbraw/zinc/75/64/32/434756432.db2.gz UFPMACMMBGWGSN-IUCAKERBSA-N 1 0 320.252 3.188 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2ccccc2OCC2CC2)CCOCC1 ZINC000453107422 434803479 /nfs/dbraw/zinc/80/34/79/434803479.db2.gz HAJKYSSPYQFUHX-HNNXBMFYSA-N 1 0 319.445 3.149 10 0 DGAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC12CCC2 ZINC000445258881 434792489 /nfs/dbraw/zinc/79/24/89/434792489.db2.gz BUALAOQIBVWOMQ-XHSDSOJGSA-N 1 0 307.482 3.081 10 0 DGAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCCC12CCC2 ZINC000445258879 434792508 /nfs/dbraw/zinc/79/25/08/434792508.db2.gz BUALAOQIBVWOMQ-OAGGEKHMSA-N 1 0 307.482 3.081 10 0 DGAERO COC1([C@@H](C)[NH2+]CCc2c[nH]c3cc(F)ccc23)CCOCC1 ZINC000453080802 434795132 /nfs/dbraw/zinc/79/51/32/434795132.db2.gz FYSJTKVTMUGILS-CYBMUJFWSA-N 1 0 320.408 3.023 10 0 DGAERO COC1([C@@H](C)[NH2+]CC(C)(C)c2ccc(F)cc2)CCOCC1 ZINC000453086161 434796794 /nfs/dbraw/zinc/79/67/94/434796794.db2.gz GTYSZJIVFRVEDD-CQSZACIVSA-N 1 0 309.425 3.277 10 0 DGAERO COC1([C@@H](C)[NH2+]CCOc2ccccc2C(C)C)CCOCC1 ZINC000453144342 434815681 /nfs/dbraw/zinc/81/56/81/434815681.db2.gz NGKVGTSQXNGILJ-MRXNPFEDSA-N 1 0 321.461 3.363 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)c2ccccc2C1 ZINC000372408333 434821807 /nfs/dbraw/zinc/82/18/07/434821807.db2.gz IFIUVNRINHXGCE-FUHWJXTLSA-N 1 0 316.445 3.027 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cn(C)nc1C(F)F ZINC000361186946 434825235 /nfs/dbraw/zinc/82/52/35/434825235.db2.gz NAGFRYXPKIDRCQ-NSHDSACASA-N 1 0 309.360 3.126 10 0 DGAERO OCCC1([NH2+]Cc2ccn(-c3ccccc3F)n2)CCCCC1 ZINC000445807121 434826424 /nfs/dbraw/zinc/82/64/24/434826424.db2.gz FPIQBYVZSVVNHY-UHFFFAOYSA-N 1 0 317.408 3.186 10 0 DGAERO O=C1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)CN1c1ccccc1F ZINC000361190512 434826553 /nfs/dbraw/zinc/82/65/53/434826553.db2.gz ZEFXSKKVGYFMMQ-OFQRWUPVSA-N 1 0 302.393 3.099 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccsc1 ZINC000453209467 434830221 /nfs/dbraw/zinc/83/02/21/434830221.db2.gz ILJXDJAJGNEQHG-BPUTZDHNSA-N 1 0 309.475 3.357 10 0 DGAERO COC1([C@@H](C)[NH2+]CCC2CC(OC(C)(C)C)C2)CCOCC1 ZINC000453218946 434831219 /nfs/dbraw/zinc/83/12/19/434831219.db2.gz SMHTWEZEDMRINQ-QQFBHYJXSA-N 1 0 313.482 3.144 10 0 DGAERO O[C@@H]1[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)CCC12CCOCC2 ZINC000453221273 434832842 /nfs/dbraw/zinc/83/28/42/434832842.db2.gz RVXQBKVHIDJNQS-FGTMMUONSA-N 1 0 307.478 3.113 10 0 DGAERO COC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000372597530 434842156 /nfs/dbraw/zinc/84/21/56/434842156.db2.gz ZYWNSCDXJXLMBR-YWPYICTPSA-N 1 0 318.244 3.226 10 0 DGAERO CCn1cc(CCN2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000372689184 434847189 /nfs/dbraw/zinc/84/71/89/434847189.db2.gz CJHAWBANIITNDB-LJQANCHMSA-N 1 0 318.509 3.034 10 0 DGAERO CCn1cc(CCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000372689183 434847737 /nfs/dbraw/zinc/84/77/37/434847737.db2.gz CJHAWBANIITNDB-IBGZPJMESA-N 1 0 318.509 3.034 10 0 DGAERO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCOCC1CCC1 ZINC000521521275 434887510 /nfs/dbraw/zinc/88/75/10/434887510.db2.gz HIDWUGLKYSNLBE-HNNXBMFYSA-N 1 0 318.461 3.372 10 0 DGAERO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC2(CC2)c2ccccc21 ZINC000461795507 434889143 /nfs/dbraw/zinc/88/91/43/434889143.db2.gz KKSLZKRZSNQGCL-HNNXBMFYSA-N 1 0 315.461 3.368 10 0 DGAERO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000461801274 434889191 /nfs/dbraw/zinc/88/91/91/434889191.db2.gz LRXNWIQEERUCLC-XQQFMLRXSA-N 1 0 323.403 3.089 10 0 DGAERO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCC(C)(C)[NH+](C)C ZINC000521575804 434889471 /nfs/dbraw/zinc/88/94/71/434889471.db2.gz ZCYMLQAOBGJTCD-MRXNPFEDSA-N 1 0 320.477 3.424 10 0 DGAERO C[C@H]([NH2+]CCOCC1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573407619 434896177 /nfs/dbraw/zinc/89/61/77/434896177.db2.gz WGRPGRPLOQMUAQ-FXAWDEMLSA-N 1 0 316.489 3.303 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](C)Cc3ccccc3)[C@@H]2C1 ZINC000521942446 434901514 /nfs/dbraw/zinc/90/15/14/434901514.db2.gz MOHACGWWXLXEEV-NMLACTOBSA-N 1 0 314.473 3.102 10 0 DGAERO Cc1ccc(-c2noc(C[N@@H+]([C@@H](C)CO)C3CCCC3)n2)cc1 ZINC000554262457 434918406 /nfs/dbraw/zinc/91/84/06/434918406.db2.gz CNGGCMWVFJXRJY-AWEZNQCLSA-N 1 0 315.417 3.170 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000552891646 434874026 /nfs/dbraw/zinc/87/40/26/434874026.db2.gz GCFCCKYICACCMI-PBHICJAKSA-N 1 0 324.896 3.426 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2nccc(C)n2)c1 ZINC000522929457 434936573 /nfs/dbraw/zinc/93/65/73/434936573.db2.gz XATHMTWBYAPXKX-KRWDZBQOSA-N 1 0 324.428 3.265 10 0 DGAERO C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000463491713 434962482 /nfs/dbraw/zinc/96/24/82/434962482.db2.gz AKYBRCHOFMXZNO-UONOGXRCSA-N 1 0 320.399 3.299 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc2c1OCC2 ZINC000464072391 434976560 /nfs/dbraw/zinc/97/65/60/434976560.db2.gz RLCOTSXTCFZCIY-YTQUADARSA-N 1 0 315.457 3.349 10 0 DGAERO CCC(CC)(CO)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462786816 434927338 /nfs/dbraw/zinc/92/73/38/434927338.db2.gz CDQKNGLREUCYFF-UHFFFAOYSA-N 1 0 307.434 3.283 10 0 DGAERO C[C@@H](CO)CCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462798545 434929652 /nfs/dbraw/zinc/92/96/52/434929652.db2.gz PRBPUARHGJZQCE-CQSZACIVSA-N 1 0 307.434 3.140 10 0 DGAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]3CCOC3)C1)O2 ZINC000462796874 434929894 /nfs/dbraw/zinc/92/98/94/434929894.db2.gz YJZWPCVTBUCLIA-BZZMCLGOSA-N 1 0 301.430 3.175 10 0 DGAERO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462791125 434930044 /nfs/dbraw/zinc/93/00/44/434930044.db2.gz QIXBVVQKMPDDJZ-SFHVURJKSA-N 1 0 307.434 3.139 10 0 DGAERO O[C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3CC[C@@H]3C3CCC3)c2)C1 ZINC000462878343 434934593 /nfs/dbraw/zinc/93/45/93/434934593.db2.gz RDAWBCNRGLOCDA-GUDVDZBRSA-N 1 0 300.446 3.244 10 0 DGAERO CC[NH+](CC)CCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000465447640 435029437 /nfs/dbraw/zinc/02/94/37/435029437.db2.gz ZARJLHLZYPEYMO-ZBFHGGJFSA-N 1 0 321.465 3.412 10 0 DGAERO CC1=[N+]([O-])[C@@](C)(c2ccc(Cl)cc2)[N+](O)=C1c1ccccc1 ZINC000575346739 435031872 /nfs/dbraw/zinc/03/18/72/435031872.db2.gz IKJLBEWBFUJZFR-QGZVFWFLSA-N 1 0 316.788 3.280 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000556432031 435008136 /nfs/dbraw/zinc/00/81/36/435008136.db2.gz IMUOSVROIYZVKF-UHFFFAOYSA-N 1 0 314.473 3.332 10 0 DGAERO CC(=O)c1cc(NC(=O)CCN(C)c2cc[nH+]cc2)ccc1C ZINC000578204985 435068664 /nfs/dbraw/zinc/06/86/64/435068664.db2.gz DGLHDSLWCGYMCD-UHFFFAOYSA-N 1 0 311.385 3.058 10 0 DGAERO c1ccc(COCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000466344050 435071763 /nfs/dbraw/zinc/07/17/63/435071763.db2.gz SCWYIZATPOYEBB-CEXWTWQISA-N 1 0 303.446 3.388 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC(=O)NC(C)C ZINC000558100515 435076332 /nfs/dbraw/zinc/07/63/32/435076332.db2.gz JMOZCYHQGVAJAR-KPKJPENVSA-N 1 0 314.351 3.223 10 0 DGAERO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000465771286 435044300 /nfs/dbraw/zinc/04/43/00/435044300.db2.gz NKPVCBVKFPGDQJ-JYJNAYRXSA-N 1 0 321.465 3.493 10 0 DGAERO COc1ccccc1/C=C\C[NH2+][C@@H](CO)Cc1ccccc1C ZINC000466905711 435098145 /nfs/dbraw/zinc/09/81/45/435098145.db2.gz VGUCFPZERFIJDW-KOTDBNOLSA-N 1 0 311.425 3.210 10 0 DGAERO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCOCC2CCC2)c1C ZINC000578827660 435111397 /nfs/dbraw/zinc/11/13/97/435111397.db2.gz FXTXZZCUWPIWCZ-OAHLLOKOSA-N 1 0 318.461 3.427 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+][C@H]3COc4ccccc4C3)C2)cc1 ZINC000559740666 435137037 /nfs/dbraw/zinc/13/70/37/435137037.db2.gz OYLHGHXFGMHWTI-FUHWJXTLSA-N 1 0 308.425 3.106 10 0 DGAERO CC(C)OC1CC([NH2+]CC2CCN(c3ccccc3)CC2)C1 ZINC000475270804 435184647 /nfs/dbraw/zinc/18/46/47/435184647.db2.gz SSTBMRGNTOPEEM-UHFFFAOYSA-N 1 0 302.462 3.449 10 0 DGAERO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@H]1CCCOC1 ZINC000475280722 435188548 /nfs/dbraw/zinc/18/85/48/435188548.db2.gz AAYBRKDXBJREKI-AEFFLSMTSA-N 1 0 302.462 3.308 10 0 DGAERO CC[C@H](C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1)c1ccccc1 ZINC000475633767 435206934 /nfs/dbraw/zinc/20/69/34/435206934.db2.gz YHAUHZYRJPRMAW-VQIMIIECSA-N 1 0 303.446 3.450 10 0 DGAERO CC(C)(C)OCCCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000475054332 435173367 /nfs/dbraw/zinc/17/33/67/435173367.db2.gz NPWIJPORFVHICY-UHFFFAOYSA-N 1 0 324.509 3.306 10 0 DGAERO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000532584547 435178811 /nfs/dbraw/zinc/17/88/11/435178811.db2.gz RBSHLOOQTUDAPZ-DZGCQCFKSA-N 1 0 318.417 3.254 10 0 DGAERO c1nc(C2CC2)sc1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000561566655 435225871 /nfs/dbraw/zinc/22/58/71/435225871.db2.gz DGYNRJCBMFUOAX-ZDUSSCGKSA-N 1 0 316.426 3.340 10 0 DGAERO COC(=O)CC1([NH2+]CCOc2ccc(F)cc2)CCCCC1 ZINC000533068672 435209448 /nfs/dbraw/zinc/20/94/48/435209448.db2.gz KFWMWWSRUZMRLM-UHFFFAOYSA-N 1 0 309.381 3.060 10 0 DGAERO C[C@H]([NH2+]C1CC(F)(F)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496759821 435250109 /nfs/dbraw/zinc/25/01/09/435250109.db2.gz RCOXZJGWTCUQQL-WDEREUQCSA-N 1 0 304.381 3.019 10 0 DGAERO C[C@@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000478591963 435304081 /nfs/dbraw/zinc/30/40/81/435304081.db2.gz IQZWCQJVVQGWJN-JKSUJKDBSA-N 1 0 321.509 3.471 10 0 DGAERO CCc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)s1 ZINC000535080150 435317803 /nfs/dbraw/zinc/31/78/03/435317803.db2.gz MTVJAWGZEZVBED-KRWDZBQOSA-N 1 0 314.454 3.374 10 0 DGAERO c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000567502850 435323651 /nfs/dbraw/zinc/32/36/51/435323651.db2.gz KLKWUUNYQHTMHJ-MRXNPFEDSA-N 1 0 320.396 3.423 10 0 DGAERO c1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)[C@H]3CCOC[C@H]23)cc1 ZINC000511793940 435333283 /nfs/dbraw/zinc/33/32/83/435333283.db2.gz CRCPQWPRNQYRCK-HAGHYFMRSA-N 1 0 315.457 3.450 10 0 DGAERO CN(CC1CC1)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511875451 435334879 /nfs/dbraw/zinc/33/48/79/435334879.db2.gz SYFULVVKOWRBTE-GUDVDZBRSA-N 1 0 312.457 3.123 10 0 DGAERO OC[C@@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccccc1 ZINC000512036405 435342367 /nfs/dbraw/zinc/34/23/67/435342367.db2.gz HYSXADKZMAZYBN-YIEVGGLXSA-N 1 0 303.352 3.344 10 0 DGAERO C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]Cc1cn(C)nn1 ZINC000608054065 435350445 /nfs/dbraw/zinc/35/04/45/435350445.db2.gz SHMXDQMJXCVTSG-OAHLLOKOSA-N 1 0 306.413 3.203 10 0 DGAERO CC(C)[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1ccccn1 ZINC000535813183 435356019 /nfs/dbraw/zinc/35/60/19/435356019.db2.gz NWWCMPWCPMIADV-UHFFFAOYSA-N 1 0 307.401 3.073 10 0 DGAERO COc1ccc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)cc1Cl ZINC000643772506 435367645 /nfs/dbraw/zinc/36/76/45/435367645.db2.gz DQYOLCDDOKWMRF-OCCSQVGLSA-N 1 0 321.808 3.034 10 0 DGAERO C[N@H+](CC1CC1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000480685377 435390556 /nfs/dbraw/zinc/39/05/56/435390556.db2.gz QUYODFPVPCXVHW-CQSZACIVSA-N 1 0 313.228 3.441 10 0 DGAERO CC(C)c1nn(C)cc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482086126 435450944 /nfs/dbraw/zinc/45/09/44/435450944.db2.gz CUBBFIKNVBTOHB-RDJZCZTQSA-N 1 0 312.461 3.476 10 0 DGAERO OCCC1([NH2+]CCCc2ccc3c(c2)CCO3)CCCCC1 ZINC000482217236 435457207 /nfs/dbraw/zinc/45/72/07/435457207.db2.gz GADIINZIEHCCFB-UHFFFAOYSA-N 1 0 303.446 3.229 10 0 DGAERO O=C(NCCCC1CC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000568469200 435438442 /nfs/dbraw/zinc/43/84/42/435438442.db2.gz AEKQNQKWSDMAQM-QGZVFWFLSA-N 1 0 307.482 3.273 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCCCOc1ccccc1)CC2 ZINC000483482193 435521902 /nfs/dbraw/zinc/52/19/02/435521902.db2.gz JWXNTLOIIDJAII-PKOBYXMFSA-N 1 0 303.446 3.473 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCCOc1ccccc1)CC2 ZINC000483482191 435521939 /nfs/dbraw/zinc/52/19/39/435521939.db2.gz JWXNTLOIIDJAII-IEBWSBKVSA-N 1 0 303.446 3.473 10 0 DGAERO c1ccc(CN2CCC([NH2+]C[C@@H]3CC4CCC3CC4)CC2)nc1 ZINC000516467453 435530224 /nfs/dbraw/zinc/53/02/24/435530224.db2.gz NGYOKXFYXWPSGT-ABHNRTSZSA-N 1 0 313.489 3.462 10 0 DGAERO Cc1ccc([C@H](CN2CCOCC2)[NH2+]CCc2ccccc2)cc1 ZINC000538140213 435483318 /nfs/dbraw/zinc/48/33/18/435483318.db2.gz DCUDRSXHLDHTJE-NRFANRHFSA-N 1 0 324.468 3.201 10 0 DGAERO Cc1csc(NC(=O)C[NH2+][C@H](c2cccs2)C2CC2)n1 ZINC000538263243 435488196 /nfs/dbraw/zinc/48/81/96/435488196.db2.gz RETYMCSRRCDBES-ZDUSSCGKSA-N 1 0 307.444 3.192 10 0 DGAERO Cc1csc(-c2cccc(C(=O)N(C)CCC[NH+](C)C)c2)n1 ZINC000538316166 435492020 /nfs/dbraw/zinc/49/20/20/435492020.db2.gz QZCSVSLEQPFDNY-UHFFFAOYSA-N 1 0 317.458 3.142 10 0 DGAERO CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccccc2)C1(C)C ZINC000538394416 435498741 /nfs/dbraw/zinc/49/87/41/435498741.db2.gz ZESGBRDWRVYBOV-FGTMMUONSA-N 1 0 305.462 3.336 10 0 DGAERO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@]3(C)CCCO)n2)cc1 ZINC000539615398 435560561 /nfs/dbraw/zinc/56/05/61/435560561.db2.gz IDRFIQVVWOOZAN-SFHVURJKSA-N 1 0 315.417 3.172 10 0 DGAERO Cc1nc(C(=O)N(C)CCC[NH+](C)C)c(-c2ccccc2)s1 ZINC000539815693 435569675 /nfs/dbraw/zinc/56/96/75/435569675.db2.gz UAXIQUYSZFDQBT-UHFFFAOYSA-N 1 0 317.458 3.142 10 0 DGAERO COc1ccc([C@H](CN(C)C)[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000517104407 435575651 /nfs/dbraw/zinc/57/56/51/435575651.db2.gz JYMAIXHXIZLQEM-OTWHNJEPSA-N 1 0 302.462 3.466 10 0 DGAERO CC[C@H]([NH2+]CCCC1CC1)c1ccccc1OCC(=O)N(C)C ZINC000540172327 435590435 /nfs/dbraw/zinc/59/04/35/435590435.db2.gz ZVGYFRADDSLLCA-KRWDZBQOSA-N 1 0 318.461 3.385 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000517990530 435620339 /nfs/dbraw/zinc/62/03/39/435620339.db2.gz KNLHFZVVZZUMKX-OALUTQOASA-N 1 0 314.473 3.342 10 0 DGAERO C(c1nc(C2CCCC2)no1)N1CCC[C@@]2(CCCOC2)C1 ZINC000570578176 435633194 /nfs/dbraw/zinc/63/31/94/435633194.db2.gz UHCXHRMFCMQAJG-QGZVFWFLSA-N 1 0 305.422 3.120 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCc1cccc(C)n1)CC2 ZINC000570276067 435604758 /nfs/dbraw/zinc/60/47/58/435604758.db2.gz CZJHQWUTFCMBAT-UHFFFAOYSA-N 1 0 308.425 3.236 10 0 DGAERO Cc1c2cc(Cl)ccc2oc1C(=O)N(C)CCC[NH+](C)C ZINC000540514690 435605858 /nfs/dbraw/zinc/60/58/58/435605858.db2.gz AZQKHVBLNHJLAR-UHFFFAOYSA-N 1 0 308.809 3.418 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1cccc2ccccc21 ZINC000518574610 435647441 /nfs/dbraw/zinc/64/74/41/435647441.db2.gz WXKGUCOTOLADNO-IBGZPJMESA-N 1 0 310.441 3.373 10 0 DGAERO c1cnc(N2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCCC4)C2)nc1 ZINC000490506447 435658666 /nfs/dbraw/zinc/65/86/66/435658666.db2.gz BPSSTAZYRGVYNY-LJQANCHMSA-N 1 0 322.456 3.114 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000490537824 435660615 /nfs/dbraw/zinc/66/06/15/435660615.db2.gz UOPSMQWJLWMUNV-HXUWFJFHSA-N 1 0 318.424 3.494 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000247476953 300317657 /nfs/dbraw/zinc/31/76/57/300317657.db2.gz SHHSNGKDNYIZSE-BBRMVZONSA-N 1 0 318.848 3.067 10 0 DGAERO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000548873420 435724708 /nfs/dbraw/zinc/72/47/08/435724708.db2.gz PVFVGXHYEVPBRW-KRWDZBQOSA-N 1 0 319.412 3.044 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000491324270 435730617 /nfs/dbraw/zinc/73/06/17/435730617.db2.gz RZYHPSQJZUXULL-UHFFFAOYSA-N 1 0 318.424 3.494 10 0 DGAERO Fc1ccc(CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c(F)c1 ZINC000571600619 435720593 /nfs/dbraw/zinc/72/05/93/435720593.db2.gz VZOLEKAJROJBOK-UHFFFAOYSA-N 1 0 303.312 3.280 10 0 DGAERO c1cnc2c(c1)cccc2C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551795961 435851721 /nfs/dbraw/zinc/85/17/21/435851721.db2.gz GWJCZAMPWOZOTN-MRXNPFEDSA-N 1 0 320.396 3.485 10 0 DGAERO c1cc2cccc(C[N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)c2[nH]1 ZINC000551927949 435862375 /nfs/dbraw/zinc/86/23/75/435862375.db2.gz RSJPHCQRJPAUFE-OAHLLOKOSA-N 1 0 308.385 3.418 10 0 DGAERO CC[C@H]([NH2+]CCc1cc(C)no1)c1ccc2c(c1)OCCO2 ZINC000552336794 435897895 /nfs/dbraw/zinc/89/78/95/435897895.db2.gz JWMBAJLTBSGCLI-HNNXBMFYSA-N 1 0 302.374 3.038 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnccn1 ZINC000656492294 435961042 /nfs/dbraw/zinc/96/10/42/435961042.db2.gz POWIJYGMQCCCEK-CQSZACIVSA-N 1 0 304.191 3.016 10 0 DGAERO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1(C)OCCCO1)CCCO2 ZINC000190655835 301209359 /nfs/dbraw/zinc/20/93/59/301209359.db2.gz AECYSGBSDKTCHD-INIZCTEOSA-N 1 0 305.418 3.260 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000177953138 302729948 /nfs/dbraw/zinc/72/99/48/302729948.db2.gz OKTDAMPDBDOIKM-BLLLJJGKSA-N 1 0 315.465 3.408 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000185290131 302872564 /nfs/dbraw/zinc/87/25/64/302872564.db2.gz CIOMADHKUDSNAE-HNNXBMFYSA-N 1 0 312.413 3.442 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC[C@H](C)[C@@H]3C[NH3+])c2c1C ZINC000261606560 302881430 /nfs/dbraw/zinc/88/14/30/302881430.db2.gz CYSLBKALPFWLMR-ZANVPECISA-N 1 0 304.463 3.180 10 0 DGAERO CCCCN(CC)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170864060 312704043 /nfs/dbraw/zinc/70/40/43/312704043.db2.gz DGPAHRACNYFIFN-GOSISDBHSA-N 1 0 317.477 3.089 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C2CCC(F)(F)CC2)CC1 ZINC000179501443 312808221 /nfs/dbraw/zinc/80/82/21/312808221.db2.gz HCNTZOYQSLMXCX-UHFFFAOYSA-N 1 0 302.409 3.049 10 0 DGAERO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1ccncc1 ZINC000179745409 312815690 /nfs/dbraw/zinc/81/56/90/312815690.db2.gz JYXJIJMGJULPFP-INIZCTEOSA-N 1 0 313.401 3.160 10 0 DGAERO CC/C=C\CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000342272088 312842282 /nfs/dbraw/zinc/84/22/82/312842282.db2.gz JQUGKFGPQUMFCW-ARJAWSKDSA-N 1 0 300.446 3.371 10 0 DGAERO CCn1cc([C@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)cn1 ZINC000376750896 312983089 /nfs/dbraw/zinc/98/30/89/312983089.db2.gz FTHQSSVBPQEKKT-AWEZNQCLSA-N 1 0 309.417 3.154 10 0 DGAERO c1ccc([C@H]([NH2+]CC2CCC3(CC2)OCCO3)C2CCC2)nc1 ZINC000528658350 313053197 /nfs/dbraw/zinc/05/31/97/313053197.db2.gz MNFWWDGNPCRJJY-GOSISDBHSA-N 1 0 316.445 3.446 10 0 DGAERO C[C@@H]1CC(F)(F)CCN1Cc1ccc(Br)cn1 ZINC000528763709 313075952 /nfs/dbraw/zinc/07/59/52/313075952.db2.gz BBSMJGHCACEYGF-SECBINFHSA-N 1 0 305.166 3.464 10 0 DGAERO Brc1cccc2c1CC[C@@H]2N[C@@H]1CC[NH2+]C12CCC2 ZINC000530224176 313343256 /nfs/dbraw/zinc/34/32/56/313343256.db2.gz VAKSGMZXMCNJTQ-LSDHHAIUSA-N 1 0 321.262 3.311 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000531764953 313489191 /nfs/dbraw/zinc/48/91/91/313489191.db2.gz HUBHKRQYLFKAPD-GOSISDBHSA-N 1 0 314.473 3.188 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCN1CCO[C@@H](C)C1 ZINC000533122974 313601649 /nfs/dbraw/zinc/60/16/49/313601649.db2.gz FCRMDANGSRYGNI-GOFCXVBSSA-N 1 0 308.853 3.054 10 0 DGAERO O=C(NCCNc1cc[nH+]cc1)C1CCC(c2ccccc2)CC1 ZINC000533816242 313639782 /nfs/dbraw/zinc/63/97/82/313639782.db2.gz XFWFODDICYEBTJ-UHFFFAOYSA-N 1 0 323.440 3.006 10 0 DGAERO CCOc1ccc(OCC[NH2+][C@@H](COC)c2ccccc2)cc1 ZINC000537110725 313796365 /nfs/dbraw/zinc/79/63/65/313796365.db2.gz QMUZHGIKXHFYKS-IBGZPJMESA-N 1 0 315.413 3.441 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C1(c2ccccc2F)CCCC1 ZINC000537214872 313802839 /nfs/dbraw/zinc/80/28/39/313802839.db2.gz AZQBXDKVCBGDOH-UHFFFAOYSA-N 1 0 306.425 3.048 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000537215232 313802904 /nfs/dbraw/zinc/80/29/04/313802904.db2.gz VJMQEOHKHXRSTC-UHFFFAOYSA-N 1 0 324.415 3.187 10 0 DGAERO CC(C)Oc1ccc(Cl)cc1C(=O)N(C)CCC[NH+](C)C ZINC000539417803 313911808 /nfs/dbraw/zinc/91/18/08/313911808.db2.gz XUSDNPLKYCKRBW-UHFFFAOYSA-N 1 0 312.841 3.151 10 0 DGAERO C[C@@H](Cc1ccsc1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000541201375 314000070 /nfs/dbraw/zinc/00/00/70/314000070.db2.gz YNFAMOOWPNROFA-HNNXBMFYSA-N 1 0 320.502 3.404 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000541342294 314009997 /nfs/dbraw/zinc/00/99/97/314009997.db2.gz KNXDMOZYVHYCTE-INIZCTEOSA-N 1 0 319.493 3.391 10 0 DGAERO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)C[C@H]2CC=CCC2)c1 ZINC000542255427 314065166 /nfs/dbraw/zinc/06/51/66/314065166.db2.gz YRWLFXMAQIHWGH-ROUUACIJSA-N 1 0 303.446 3.331 10 0 DGAERO C[C@H](CNC(=O)N(C)C[C@@H]1CC=CCC1)C[NH+]1CCCCC1 ZINC000542271440 314066518 /nfs/dbraw/zinc/06/65/18/314066518.db2.gz DTMLIJJUANUEFU-IAGOWNOFSA-N 1 0 307.482 3.106 10 0 DGAERO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)C[C@H]2CC=CCC2)cc1 ZINC000542484825 314079414 /nfs/dbraw/zinc/07/94/14/314079414.db2.gz WKSCSOYNYFWLIY-HOTGVXAUSA-N 1 0 317.429 3.415 10 0 DGAERO Cn1ccc([C@@H]([NH2+]C[C@]2(C)CCOC2)c2ccc(Cl)cc2)n1 ZINC000542663207 314089837 /nfs/dbraw/zinc/08/98/37/314089837.db2.gz ASNVRWOEONOMIM-IRXDYDNUSA-N 1 0 319.836 3.179 10 0 DGAERO C(=C/[C@H]1CCCCC[N@H+]1CCN1CCOCC1)\c1cccs1 ZINC000543060257 314111575 /nfs/dbraw/zinc/11/15/75/314111575.db2.gz DOFGMKJWDYBRSL-IWAYRVGRSA-N 1 0 320.502 3.338 10 0 DGAERO C[C@@H](Cc1ccsc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000543987208 314167088 /nfs/dbraw/zinc/16/70/88/314167088.db2.gz ZUDDXBOVZXSELO-AWEZNQCLSA-N 1 0 306.475 3.014 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC000544227800 314181446 /nfs/dbraw/zinc/18/14/46/314181446.db2.gz NJGGGSXSSOJZCK-CQSZACIVSA-N 1 0 300.402 3.407 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000544254244 314182583 /nfs/dbraw/zinc/18/25/83/314182583.db2.gz OZZDKOJRDFGIMT-SJLPKXTDSA-N 1 0 315.461 3.287 10 0 DGAERO COCCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000544576073 314199934 /nfs/dbraw/zinc/19/99/34/314199934.db2.gz CICKGTASGKGCOC-MRXNPFEDSA-N 1 0 307.825 3.179 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@@H](C)c2cccs2)CC1 ZINC000545153255 314228472 /nfs/dbraw/zinc/22/84/72/314228472.db2.gz LLGQKEYMFIFFJW-AWEZNQCLSA-N 1 0 307.463 3.103 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000545162981 314229394 /nfs/dbraw/zinc/22/93/94/314229394.db2.gz VKQMSXLTEIUHNW-UHFFFAOYSA-N 1 0 310.397 3.328 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](C)C(C)(C)C2)CC1 ZINC000545414784 314250614 /nfs/dbraw/zinc/25/06/14/314250614.db2.gz ZYORKIWXERRJIH-HNNXBMFYSA-N 1 0 309.498 3.186 10 0 DGAERO CSc1ccc([C@@H](C)NC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000546670746 314320714 /nfs/dbraw/zinc/32/07/14/314320714.db2.gz YWXKTBXYNZODCR-CYBMUJFWSA-N 1 0 309.479 3.063 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000547272294 314352387 /nfs/dbraw/zinc/35/23/87/314352387.db2.gz YQUPDAVREQYXHL-UHFFFAOYSA-N 1 0 309.251 3.191 10 0 DGAERO CCCOc1cccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000547283951 314353060 /nfs/dbraw/zinc/35/30/60/314353060.db2.gz YREHEFXFWULPBS-UHFFFAOYSA-N 1 0 317.433 3.249 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000547283897 314353146 /nfs/dbraw/zinc/35/31/46/314353146.db2.gz VKTWYOPJGOGDLT-UHFFFAOYSA-N 1 0 319.257 3.437 10 0 DGAERO CN1CCO[C@H]([C@H]([NH2+]CCCC2CC2)c2ccc(Cl)cc2)C1 ZINC000547352990 314358960 /nfs/dbraw/zinc/35/89/60/314358960.db2.gz IBTHJRHWICSDCV-ZWKOTPCHSA-N 1 0 322.880 3.492 10 0 DGAERO Clc1ccc(COCC[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000548793067 314474864 /nfs/dbraw/zinc/47/48/64/314474864.db2.gz VSHYCAOBEDQNEM-INIZCTEOSA-N 1 0 309.837 3.405 10 0 DGAERO CC[C@H]([NH2+]Cc1nc(-c2ccc(C)cc2)no1)C1CCOCC1 ZINC000553284444 314638337 /nfs/dbraw/zinc/63/83/37/314638337.db2.gz UXCRCVLEURKYFY-INIZCTEOSA-N 1 0 315.417 3.340 10 0 DGAERO CCCCc1noc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000555415423 314722703 /nfs/dbraw/zinc/72/27/03/314722703.db2.gz USGRSYSUZKCWCI-XNISGKROSA-N 1 0 319.449 3.411 10 0 DGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000558971272 314870372 /nfs/dbraw/zinc/87/03/72/314870372.db2.gz RLFLZSNDDMITDU-VSZNYVQBSA-N 1 0 309.494 3.359 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@H]3COc4ccccc4C3)C2)cc1 ZINC000559740668 314890244 /nfs/dbraw/zinc/89/02/44/314890244.db2.gz OYLHGHXFGMHWTI-SJLPKXTDSA-N 1 0 308.425 3.106 10 0 DGAERO COC[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)C1CCCC1 ZINC000562488358 315023436 /nfs/dbraw/zinc/02/34/36/315023436.db2.gz WSLOZFGFMGLUHM-CVEARBPZSA-N 1 0 305.418 3.011 10 0 DGAERO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCOCC2CCC2)c(C)c1 ZINC000564654035 315189287 /nfs/dbraw/zinc/18/92/87/315189287.db2.gz GFTNMDVSAOENHN-MRXNPFEDSA-N 1 0 318.461 3.427 10 0 DGAERO C[C@@](O)(C[NH2+]Cc1cccc(-n2cccn2)c1)C1CCCCC1 ZINC000564793011 315199947 /nfs/dbraw/zinc/19/99/47/315199947.db2.gz ZSEIIOMKCHWBTM-LJQANCHMSA-N 1 0 313.445 3.293 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+][C@H]3CCSC3)CC23CC3)cc1 ZINC000566215453 315322787 /nfs/dbraw/zinc/32/27/87/315322787.db2.gz DUJVGPIYSXURCN-SJORKVTESA-N 1 0 302.487 3.279 10 0 DGAERO CO[C@@]1(C)CCC[N@H+](Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000567008582 315389373 /nfs/dbraw/zinc/38/93/73/315389373.db2.gz IRSRBRLKCBCFIC-SFHVURJKSA-N 1 0 315.417 3.436 10 0 DGAERO Cc1cc(CC[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)on1 ZINC000571270787 315709033 /nfs/dbraw/zinc/70/90/33/315709033.db2.gz DQFFWICTRYTZRT-ZDUSSCGKSA-N 1 0 302.374 3.038 10 0 DGAERO c1ccc(N2CCN(CCC[NH2+][C@H]3CCCC34CC4)CC2)cc1 ZINC000575816660 316065540 /nfs/dbraw/zinc/06/55/40/316065540.db2.gz UOVYXALNSQHRHT-IBGZPJMESA-N 1 0 313.489 3.121 10 0 DGAERO c1c2cccnc2oc1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000575952611 316078838 /nfs/dbraw/zinc/07/88/38/316078838.db2.gz NYKOPDPKRGJATO-UHFFFAOYSA-N 1 0 310.353 3.279 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(Br)cn2)[nH]n1 ZINC000576761622 316164894 /nfs/dbraw/zinc/16/48/94/316164894.db2.gz SUJRAOBMVVGWLQ-MWLCHTKSSA-N 1 0 323.238 3.157 10 0 DGAERO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)C1CCOCC1 ZINC000179847949 323215629 /nfs/dbraw/zinc/21/56/29/323215629.db2.gz ROIBCBKTCZVRLT-GFCCVEGCSA-N 1 0 304.365 3.385 10 0 DGAERO CCn1c(C[NH2+][C@@H](C)C2CCOCC2)nc2cc(F)ccc21 ZINC000179851698 323215643 /nfs/dbraw/zinc/21/56/43/323215643.db2.gz DHULPUMDNCIKML-LBPRGKRZSA-N 1 0 305.397 3.100 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC000179864425 323216313 /nfs/dbraw/zinc/21/63/13/323216313.db2.gz FBSGGYSVENPBDD-CRAIPNDOSA-N 1 0 318.461 3.132 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C(C)(C)c1ccccc1 ZINC000180006183 323219817 /nfs/dbraw/zinc/21/98/17/323219817.db2.gz FHJGETCONYCCSI-GDBMZVCRSA-N 1 0 311.491 3.013 10 0 DGAERO COCCCN(C)CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180133741 323221855 /nfs/dbraw/zinc/22/18/55/323221855.db2.gz TTWBZPHQJXIDER-KRWDZBQOSA-N 1 0 310.869 3.349 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c(C2CC2)nc2sccn12 ZINC000180161822 323222510 /nfs/dbraw/zinc/22/25/10/323222510.db2.gz CILALOILEAIUOU-AWEZNQCLSA-N 1 0 318.490 3.189 10 0 DGAERO CCOc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180189451 323223270 /nfs/dbraw/zinc/22/32/70/323223270.db2.gz HINPGEQNPHCJOT-RTBURBONSA-N 1 0 324.424 3.261 10 0 DGAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180488844 323230859 /nfs/dbraw/zinc/23/08/59/323230859.db2.gz YKYKUWLEQODWIK-APWZRJJASA-N 1 0 320.477 3.093 10 0 DGAERO CCCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(CC)nn3C2)cc1 ZINC000180611950 323234280 /nfs/dbraw/zinc/23/42/80/323234280.db2.gz APWANWQIIWRDQM-RHSMWYFYSA-N 1 0 312.461 3.459 10 0 DGAERO Cc1ccc([C@@H](C[NH2+]C(C2CC2)C2CC2)N2CCOCC2)s1 ZINC000180659530 323235690 /nfs/dbraw/zinc/23/56/90/323235690.db2.gz SKGKOGHNNKPHMP-MRXNPFEDSA-N 1 0 320.502 3.208 10 0 DGAERO Cc1cccc([C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C(C)(C)C)c1 ZINC000180797843 323238702 /nfs/dbraw/zinc/23/87/02/323238702.db2.gz RDPDHVMCSLPHHI-ZBFHGGJFSA-N 1 0 311.491 3.353 10 0 DGAERO Cc1nc(C[NH2+][C@H](CCO)C2CCCCC2)nc2ccccc12 ZINC000181498742 323257257 /nfs/dbraw/zinc/25/72/57/323257257.db2.gz YWPWXHURJWXNJD-QGZVFWFLSA-N 1 0 313.445 3.359 10 0 DGAERO CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C1(C)C ZINC000181566138 323259672 /nfs/dbraw/zinc/25/96/72/323259672.db2.gz WRGFRQPXZLGWBB-DLBZAZTESA-N 1 0 309.425 3.247 10 0 DGAERO CCC1(CC)[C@@H]([NH2+]CCCc2nc(C(C)C)no2)C[C@@H]1OC ZINC000181667303 323263536 /nfs/dbraw/zinc/26/35/36/323263536.db2.gz KFBAYXDFJALJHG-KBPBESRZSA-N 1 0 309.454 3.309 10 0 DGAERO COc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NC(C)(C)C ZINC000181716379 323265702 /nfs/dbraw/zinc/26/57/02/323265702.db2.gz NXHUUCLHOPTHKO-OAHLLOKOSA-N 1 0 306.450 3.287 10 0 DGAERO CC1(C)[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@H]2CCCO[C@@H]21 ZINC000181856202 323272260 /nfs/dbraw/zinc/27/22/60/323272260.db2.gz AQKXCNYQNYNAFE-WQVCFCJDSA-N 1 0 311.372 3.137 10 0 DGAERO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCc1c(C)nn(C)c1C ZINC000182110165 323283541 /nfs/dbraw/zinc/28/35/41/323283541.db2.gz PFPNQMSKJGQLFZ-DLBZAZTESA-N 1 0 307.482 3.153 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCC(=O)OC(C)(C)C ZINC000182211798 323287203 /nfs/dbraw/zinc/28/72/03/323287203.db2.gz HOJQBSXJWJVTJY-HZPDHXFCSA-N 1 0 310.482 3.057 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H]1CCCOc2ccccc21 ZINC000182227316 323287982 /nfs/dbraw/zinc/28/79/82/323287982.db2.gz FJUORPGLSPAZSR-ACJLOTCBSA-N 1 0 313.445 3.471 10 0 DGAERO CC[C@@H]([NH2+]Cc1ncc(-c2ccc(OC)cc2)o1)[C@@H]1CCCO1 ZINC000182292302 323290942 /nfs/dbraw/zinc/29/09/42/323290942.db2.gz APDFVYLAGIJUMP-CVEARBPZSA-N 1 0 316.401 3.397 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ccccn3)C1)CCCO2 ZINC000182389859 323296897 /nfs/dbraw/zinc/29/68/97/323296897.db2.gz UAOZOCIPFLFZDU-AEFFLSMTSA-N 1 0 323.440 3.472 10 0 DGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182410820 323297536 /nfs/dbraw/zinc/29/75/36/323297536.db2.gz FWMUAPRUUWGZBY-AWEZNQCLSA-N 1 0 321.392 3.062 10 0 DGAERO CC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cccc(Cl)c1 ZINC000182598824 323305870 /nfs/dbraw/zinc/30/58/70/323305870.db2.gz OJFRTOQWGWCWDW-FZMZJTMJSA-N 1 0 303.855 3.061 10 0 DGAERO C[C@@H](CCNC(=O)N(C)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000182677329 323308366 /nfs/dbraw/zinc/30/83/66/323308366.db2.gz YNMHWLXOTDJMFK-HNNXBMFYSA-N 1 0 321.440 3.232 10 0 DGAERO COC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)c1ccc(F)c(F)c1 ZINC000183010097 323319228 /nfs/dbraw/zinc/31/92/28/323319228.db2.gz IBUQNDDKTITICT-DLBZAZTESA-N 1 0 315.404 3.429 10 0 DGAERO CC[N@H+](CCNC(=O)CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000183037103 323321283 /nfs/dbraw/zinc/32/12/83/323321283.db2.gz BNIISEWMBFRHEB-UHFFFAOYSA-N 1 0 320.399 3.346 10 0 DGAERO CCc1noc([C@H](C)N2CC[NH+](C[C@@H]3CCCC[C@@H]3C)CC2)n1 ZINC000183058197 323322982 /nfs/dbraw/zinc/32/29/82/323322982.db2.gz GTDXIMXNFVSEIX-JYJNAYRXSA-N 1 0 320.481 3.137 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000183096253 323325160 /nfs/dbraw/zinc/32/51/60/323325160.db2.gz ZJUKGXDMRVYDDT-MAUKXSAKSA-N 1 0 318.509 3.382 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+](C)C[C@H](C)c3nccs3)cnc2n1 ZINC000183250412 323331554 /nfs/dbraw/zinc/33/15/54/323331554.db2.gz FNXOPRTYGYMKQN-NSHDSACASA-N 1 0 315.446 3.038 10 0 DGAERO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)COC(C)(C)C ZINC000183646951 323344457 /nfs/dbraw/zinc/34/44/57/323344457.db2.gz SIDBGZUPMLJXFQ-IRXDYDNUSA-N 1 0 311.441 3.158 10 0 DGAERO C[C@H]([NH2+]CCCn1ccnn1)[C@H](C)c1nc2ccccc2s1 ZINC000184265948 323360428 /nfs/dbraw/zinc/36/04/28/323360428.db2.gz BBSGQDBKOLNDEF-STQMWFEESA-N 1 0 315.446 3.060 10 0 DGAERO C[C@H]([NH2+]CCCn1ccnn1)c1nc(-c2ccccc2)cs1 ZINC000184273577 323360729 /nfs/dbraw/zinc/36/07/29/323360729.db2.gz KLVKOMSBCMDQQV-ZDUSSCGKSA-N 1 0 313.430 3.143 10 0 DGAERO CC(C)[C@H]([NH2+]CCCn1ccnn1)c1ccc(Cl)cc1F ZINC000184274882 323360953 /nfs/dbraw/zinc/36/09/53/323360953.db2.gz QSYWPNGDPHNQAQ-HNNXBMFYSA-N 1 0 310.804 3.448 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1cc2ccccc2s1)CS(C)(=O)=O ZINC000184364219 323363027 /nfs/dbraw/zinc/36/30/27/323363027.db2.gz URLUYHWGCXOCFM-NEPJUHHUSA-N 1 0 311.472 3.233 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C)cc1)c1nc(C)cs1 ZINC000184401164 323364332 /nfs/dbraw/zinc/36/43/32/323364332.db2.gz BBASBHATSYUUGT-GOEBONIOSA-N 1 0 320.458 3.241 10 0 DGAERO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000184548951 323368299 /nfs/dbraw/zinc/36/82/99/323368299.db2.gz RIEPGGLWYXFQAX-ZBFHGGJFSA-N 1 0 317.404 3.479 10 0 DGAERO CC[C@@H](NCC(=O)N(C1CC1)C1CCCC1)c1nccs1 ZINC000185044849 323379353 /nfs/dbraw/zinc/37/93/53/323379353.db2.gz BNNFJHJXVVHCQF-CQSZACIVSA-N 1 0 307.463 3.117 10 0 DGAERO CC[C@@H](NCC(=O)Nc1ccc(F)cc1F)c1nccs1 ZINC000185045863 323379472 /nfs/dbraw/zinc/37/94/72/323379472.db2.gz IXPXZOYPOJMNKX-LLVKDONJSA-N 1 0 311.357 3.101 10 0 DGAERO CC[C@@H]([NH2+]CCOc1cccc(C(=O)OC)c1)c1nccs1 ZINC000185064937 323380751 /nfs/dbraw/zinc/38/07/51/323380751.db2.gz ISUAZKGEIVEVFK-CQSZACIVSA-N 1 0 320.414 3.049 10 0 DGAERO Cc1cc(C)n2c(C[NH2+][C@H]3CCCO[C@@H]3CC(C)C)cnc2n1 ZINC000185194033 323383429 /nfs/dbraw/zinc/38/34/29/323383429.db2.gz RPAYABLMGOMNJR-DLBZAZTESA-N 1 0 316.449 3.029 10 0 DGAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc1C ZINC000185593434 323390875 /nfs/dbraw/zinc/39/08/75/323390875.db2.gz VNYVZCXBEXHPPO-QAPCUYQASA-N 1 0 324.424 3.396 10 0 DGAERO C[NH+](C)CC1(CNC(=O)C(C)(C)c2ccccc2F)CCCC1 ZINC000185861812 323396932 /nfs/dbraw/zinc/39/69/32/323396932.db2.gz QGGBGLAEYWTWPV-UHFFFAOYSA-N 1 0 320.452 3.342 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000185887124 323397822 /nfs/dbraw/zinc/39/78/22/323397822.db2.gz BERAXYHJYVPFOJ-MRXNPFEDSA-N 1 0 320.477 3.157 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)c2ccccc21 ZINC000186583335 323406684 /nfs/dbraw/zinc/40/66/84/323406684.db2.gz SDBSZERWWKVNIA-RHSMWYFYSA-N 1 0 303.450 3.218 10 0 DGAERO COC[C@H](C)CNc1ccc(C[NH+]2CCSCC2)cc1C ZINC000187584330 323416555 /nfs/dbraw/zinc/41/65/55/323416555.db2.gz XYIKCCQRGOQYHW-CQSZACIVSA-N 1 0 308.491 3.238 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000187718039 323417513 /nfs/dbraw/zinc/41/75/13/323417513.db2.gz WQKJYJFHRMCNDW-ZDUSSCGKSA-N 1 0 304.365 3.385 10 0 DGAERO COC[C@@H](C)C[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000187703579 323418067 /nfs/dbraw/zinc/41/80/67/323418067.db2.gz XWYWKWNAVSRJHZ-AWEZNQCLSA-N 1 0 311.853 3.260 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1cccc(O)c1 ZINC000192551883 323454487 /nfs/dbraw/zinc/45/44/87/323454487.db2.gz VHFVFUHCUKXKNO-LLVKDONJSA-N 1 0 314.410 3.156 10 0 DGAERO Cn1c2ccc(C[NH2+]CCCc3ccccc3)cc2sc1=O ZINC000195121336 323487209 /nfs/dbraw/zinc/48/72/09/323487209.db2.gz GOPIMNDGTNOMLK-UHFFFAOYSA-N 1 0 312.438 3.322 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)O1 ZINC000384659951 323628643 /nfs/dbraw/zinc/62/86/43/323628643.db2.gz VUVHAUTVRXBHSY-KKFJDGPESA-N 1 0 302.187 3.244 10 0 DGAERO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)C[C@@]1(C)C[NH3+] ZINC000388338491 323652347 /nfs/dbraw/zinc/65/23/47/323652347.db2.gz VXZCFBHPFVVCFI-YMTOWFKASA-N 1 0 301.217 3.050 10 0 DGAERO CN(Cc1ccsc1Br)CC1([NH+](C)C)CCC1 ZINC000388997790 323656512 /nfs/dbraw/zinc/65/65/12/323656512.db2.gz NBVXRDLQCZCIDQ-UHFFFAOYSA-N 1 0 317.296 3.427 10 0 DGAERO Brc1cccc2c1C[C@@H]([NH2+]CC[C@H]1CCOC1)CC2 ZINC000580335715 323986408 /nfs/dbraw/zinc/98/64/08/323986408.db2.gz HTHVEHXGRJFADZ-JSGCOSHPSA-N 1 0 324.262 3.323 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]CC3CCOCC3)CC23CC3)cc1 ZINC000580647219 324021978 /nfs/dbraw/zinc/02/19/78/324021978.db2.gz UPPGVRIQWIIGKL-LJQANCHMSA-N 1 0 314.473 3.200 10 0 DGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2CCCCCC2)c1 ZINC000580924911 324053149 /nfs/dbraw/zinc/05/31/49/324053149.db2.gz GVMZXHYJXYESRW-AWEZNQCLSA-N 1 0 324.490 3.216 10 0 DGAERO COCCc1nc(C)c([C@@H](C)[NH2+]CCOCC2CCC2)s1 ZINC000581403496 324113541 /nfs/dbraw/zinc/11/35/41/324113541.db2.gz ALKNGBCMWCDTEB-GFCCVEGCSA-N 1 0 312.479 3.108 10 0 DGAERO COCCc1nc(C)c([C@H](C)[NH2+]CCOCC2CCC2)s1 ZINC000581403497 324113834 /nfs/dbraw/zinc/11/38/34/324113834.db2.gz ALKNGBCMWCDTEB-LBPRGKRZSA-N 1 0 312.479 3.108 10 0 DGAERO C[C@H](C1CC1)n1nccc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000582599224 324251578 /nfs/dbraw/zinc/25/15/78/324251578.db2.gz PRUYENPLBHLFIU-CQSZACIVSA-N 1 0 318.465 3.305 10 0 DGAERO Cc1[nH+]c2c(Cl)cccc2c(N2CCC[C@H](C(N)=O)C2)c1C ZINC000583354338 324342446 /nfs/dbraw/zinc/34/24/46/324342446.db2.gz KZEIRRORPVRCBP-LBPRGKRZSA-N 1 0 317.820 3.207 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000584410150 337320905 /nfs/dbraw/zinc/32/09/05/337320905.db2.gz SYRKFLJOPNLMFR-AZUAARDMSA-N 1 0 314.473 3.330 10 0 DGAERO COC(=O)c1occc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037306025 337364616 /nfs/dbraw/zinc/36/46/16/337364616.db2.gz ANSATOHSQBHDSY-WDEREUQCSA-N 1 0 305.296 3.277 10 0 DGAERO Brc1ccc2c(c1)OCc1[nH]c([C@@H]3CCC[NH2+]3)nc1-2 ZINC000584612639 337372381 /nfs/dbraw/zinc/37/23/81/337372381.db2.gz PZEUERIHYDMMOX-JTQLQIEISA-N 1 0 320.190 3.156 10 0 DGAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000381148175 1177336618 /nfs/dbraw/zinc/33/66/18/1177336618.db2.gz YBQVSQMXTRQIDG-MBNYWOFBSA-N 1 0 314.271 3.450 10 0 DGAERO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000153107399 533766248 /nfs/dbraw/zinc/76/62/48/533766248.db2.gz AMXBRFAOQPJCPI-MLGOLLRUSA-N 1 0 304.365 3.216 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000305898358 534048647 /nfs/dbraw/zinc/04/86/47/534048647.db2.gz UYNQTTSPQQZOSL-QPUJVOFHSA-N 1 0 320.177 3.242 10 0 DGAERO Cc1cc2cc(NC(=O)N3CCC([NH+](C)C)CC3)ccc2[nH]1 ZINC000171404374 534096114 /nfs/dbraw/zinc/09/61/14/534096114.db2.gz PHWBMAWPHMTZEP-UHFFFAOYSA-N 1 0 300.406 3.034 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2(C)CCC2)C1 ZINC000174992222 534159675 /nfs/dbraw/zinc/15/96/75/534159675.db2.gz UYKJUHFXKBXHHG-SJORKVTESA-N 1 0 321.509 3.473 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435126023 534234227 /nfs/dbraw/zinc/23/42/27/534234227.db2.gz ZWASINAYBUNGKA-ZDUSSCGKSA-N 1 0 311.385 3.438 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000444144444 534251257 /nfs/dbraw/zinc/25/12/57/534251257.db2.gz LBKHQIXGCIUJDY-SQNIBIBYSA-N 1 0 321.509 3.473 10 0 DGAERO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)[C@@H]2CCCC[C@@H]21 ZINC000089732259 520673052 /nfs/dbraw/zinc/67/30/52/520673052.db2.gz IGUMYGBCVLWJLG-XLMAVXFVSA-N 1 0 314.477 3.250 10 0 DGAERO CCC[C@H]([NH2+]C[C@H]1CCCN1CCOC)c1ccc(OC)cc1 ZINC000163292186 521161837 /nfs/dbraw/zinc/16/18/37/521161837.db2.gz IFDMFNKUTWIQNS-MJGOQNOKSA-N 1 0 320.477 3.237 10 0 DGAERO CCCN(CCC)C(=O)C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157689000 521635464 /nfs/dbraw/zinc/63/54/64/521635464.db2.gz RFYHFJKFSWOSRW-CQSZACIVSA-N 1 0 322.497 3.246 10 0 DGAERO Clc1ccc(-c2cc(CN3CC[N@@H+]4CCC[C@@H]4C3)on2)cc1 ZINC000178632301 534632303 /nfs/dbraw/zinc/63/23/03/534632303.db2.gz PSNKFOVARUJYOQ-OAHLLOKOSA-N 1 0 317.820 3.275 10 0 DGAERO CC[C@@]1(CO)CCC[N@@H+]1Cc1csc(Br)c1 ZINC000189678177 523740975 /nfs/dbraw/zinc/74/09/75/523740975.db2.gz CEUCKLLMBRZFHZ-LBPRGKRZSA-N 1 0 304.253 3.248 10 0 DGAERO C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000154411313 525106863 /nfs/dbraw/zinc/10/68/63/525106863.db2.gz FJSCVNXMJFKJHS-XUJVJEKNSA-N 1 0 321.852 3.325 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCOCC2CC2)cc1NC(C)=O ZINC000162882363 525319425 /nfs/dbraw/zinc/31/94/25/525319425.db2.gz WGZQVDNMIBNOGG-ZDUSSCGKSA-N 1 0 320.433 3.121 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)s1 ZINC000157183714 525509815 /nfs/dbraw/zinc/50/98/15/525509815.db2.gz AXAPFBYNFTVSHC-RBOXIYTFSA-N 1 0 323.506 3.454 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccc(-n2cncn2)cc1 ZINC000178758078 525611214 /nfs/dbraw/zinc/61/12/14/525611214.db2.gz JDIKZPQXVNMNIP-KGLIPLIRSA-N 1 0 308.385 3.385 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000154546839 525956267 /nfs/dbraw/zinc/95/62/67/525956267.db2.gz XJIQQRVFBONEQC-BWTKPXILSA-N 1 0 312.457 3.341 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc2c1OCCC2 ZINC000454965045 534906662 /nfs/dbraw/zinc/90/66/62/534906662.db2.gz WPRNOMBJNNALHX-HNNXBMFYSA-N 1 0 317.433 3.008 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CCCOC[C@H]1CCOC1)CCCO2 ZINC000158216608 526210781 /nfs/dbraw/zinc/21/07/81/526210781.db2.gz QLKPSKMJPNYOCU-SJLPKXTDSA-N 1 0 319.445 3.242 10 0 DGAERO c1ccc(-c2nc(N3CCC(C[NH+]4CCCC4)CC3)no2)cc1 ZINC000157116200 526453943 /nfs/dbraw/zinc/45/39/43/526453943.db2.gz XJBCYHXAPJJUBT-UHFFFAOYSA-N 1 0 312.417 3.049 10 0 DGAERO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccsc3)cc2)[C@@H](C)C1 ZINC000444650538 526628600 /nfs/dbraw/zinc/62/86/00/526628600.db2.gz PAIDSKATUPHWGY-AWEZNQCLSA-N 1 0 314.454 3.468 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000154914480 527143726 /nfs/dbraw/zinc/14/37/26/527143726.db2.gz KWFJPUPTAHKGEG-YYIAUSFCSA-N 1 0 324.509 3.255 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1Cl ZINC000415460666 527302352 /nfs/dbraw/zinc/30/23/52/527302352.db2.gz ZEZAETDFSVVZCK-BMIGLBTASA-N 1 0 323.824 3.276 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H](C)CCCC[NH3+])cc1Cl ZINC000415453045 527308982 /nfs/dbraw/zinc/30/89/82/527308982.db2.gz OXDSSHZHYGOPLQ-SNVBAGLBSA-N 1 0 311.813 3.182 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000431116904 527310640 /nfs/dbraw/zinc/31/06/40/527310640.db2.gz FGUZLRDCDWWNHW-IMVZRKRCSA-N 1 0 314.429 3.385 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000237865799 527412912 /nfs/dbraw/zinc/41/29/12/527412912.db2.gz CHWWFPABCBFJEX-CJNGLKHVSA-N 1 0 320.864 3.395 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000312591075 527467095 /nfs/dbraw/zinc/46/70/95/527467095.db2.gz XSJGOMVHQJKDBL-UHFFFAOYSA-N 1 0 300.855 3.138 10 0 DGAERO CC(C)C1([NH2+]CC(=O)Nc2ccccc2Br)CC1 ZINC000292965864 527623596 /nfs/dbraw/zinc/62/35/96/527623596.db2.gz JYPCMYZCEIDDDV-UHFFFAOYSA-N 1 0 311.223 3.166 10 0 DGAERO FC(F)(F)c1ccc(N2CCC([NH2+]Cc3cc[nH]c3)CC2)nc1 ZINC000086250947 527682810 /nfs/dbraw/zinc/68/28/10/527682810.db2.gz RRDDJDGQHKXXBO-UHFFFAOYSA-N 1 0 324.350 3.187 10 0 DGAERO CC(C)c1nn(C)cc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000435171314 528400668 /nfs/dbraw/zinc/40/06/68/528400668.db2.gz OWWQXUQRWUVTMP-UHFFFAOYSA-N 1 0 323.485 3.174 10 0 DGAERO CC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CCC1 ZINC000443616067 528671114 /nfs/dbraw/zinc/67/11/14/528671114.db2.gz QATBIPHNWXQWEY-AWEZNQCLSA-N 1 0 301.352 3.483 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCC[C@@H](C)CC2)CC1 ZINC000443170274 528965050 /nfs/dbraw/zinc/96/50/50/528965050.db2.gz SQPDKKDJAWGYOB-WBVHZDCISA-N 1 0 309.498 3.376 10 0 DGAERO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000444663180 529205480 /nfs/dbraw/zinc/20/54/80/529205480.db2.gz KBOMRSBXLWZFSM-ZFWWWQNUSA-N 1 0 318.417 3.254 10 0 DGAERO CCCCc1noc([C@H](C)[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)n1 ZINC000451616055 535130445 /nfs/dbraw/zinc/13/04/45/535130445.db2.gz QUJJJNHBWSYOEG-SQWLQELKSA-N 1 0 311.470 3.352 10 0 DGAERO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H](C)C1CC1 ZINC000479600938 535523181 /nfs/dbraw/zinc/52/31/81/535523181.db2.gz LAPXJVBUDJFQQD-LBPRGKRZSA-N 1 0 323.403 3.091 10 0 DGAERO CCO[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@@H]1C ZINC000449492275 535632726 /nfs/dbraw/zinc/63/27/26/535632726.db2.gz IWKMCMDAPARKKJ-BBRMVZONSA-N 1 0 317.458 3.452 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)cc1 ZINC000467459033 536526012 /nfs/dbraw/zinc/52/60/12/536526012.db2.gz ZDRFWHRQSZFWHW-YJBOKZPZSA-N 1 0 305.462 3.405 10 0 DGAERO COC[C@@H](O)C[NH+]1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC000451533649 536729815 /nfs/dbraw/zinc/72/98/15/536729815.db2.gz NCNAKAKOJABPLP-SFHVURJKSA-N 1 0 305.462 3.171 10 0 DGAERO COc1cccc2c1CC[N@H+](CCc1ccc3c(c1)CCO3)CC2 ZINC000489475084 536941620 /nfs/dbraw/zinc/94/16/20/536941620.db2.gz LRIFOMIGNDMIIX-UHFFFAOYSA-N 1 0 323.436 3.273 10 0 DGAERO COc1cccc2c1CC[N@H+](Cc1nc(C)sc1C)CC2 ZINC000489421879 536942162 /nfs/dbraw/zinc/94/21/62/536942162.db2.gz GLBOOEDVJMZIET-UHFFFAOYSA-N 1 0 302.443 3.369 10 0 DGAERO Fc1ccc(Br)c(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038097287 545675307 /nfs/dbraw/zinc/67/53/07/545675307.db2.gz AHGZVCLVDVWVAO-LBPRGKRZSA-N 1 0 302.187 3.247 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1sccc1Br ZINC000040673149 545676312 /nfs/dbraw/zinc/67/63/12/545676312.db2.gz NHICDTWJPYDDOL-UWVGGRQHSA-N 1 0 303.269 3.255 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C)cc2C)o1 ZINC000046342550 545681251 /nfs/dbraw/zinc/68/12/51/545681251.db2.gz QSNAGWLDKKSGHT-INIZCTEOSA-N 1 0 303.402 3.077 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000047934935 545685856 /nfs/dbraw/zinc/68/58/56/545685856.db2.gz UNNUZXFVMLLRJW-NWDGAFQWSA-N 1 0 313.392 3.055 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1 ZINC000087135741 545801642 /nfs/dbraw/zinc/80/16/42/545801642.db2.gz XFPCIKCAUDDIRU-LSDHHAIUSA-N 1 0 321.440 3.226 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1 ZINC000087292373 545803016 /nfs/dbraw/zinc/80/30/16/545803016.db2.gz UINOBEMOQFUESU-GOEBONIOSA-N 1 0 321.440 3.321 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457122 545814774 /nfs/dbraw/zinc/81/47/74/545814774.db2.gz QULOSCWMGMDQCN-FZMZJTMJSA-N 1 0 315.244 3.327 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000089462073 545815089 /nfs/dbraw/zinc/81/50/89/545815089.db2.gz OJNULHXVOBNUME-SCZZXKLOSA-N 1 0 304.287 3.158 10 0 DGAERO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH3+])o2)cc1Cl ZINC000094566985 545859465 /nfs/dbraw/zinc/85/94/65/545859465.db2.gz INWITBUDZSJVHQ-UHFFFAOYSA-N 1 0 308.765 3.431 10 0 DGAERO Fc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000093981914 545859963 /nfs/dbraw/zinc/85/99/63/545859963.db2.gz XRHIRLOWJQTNRR-ZDUSSCGKSA-N 1 0 302.187 3.247 10 0 DGAERO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2C)cc1F ZINC000121317844 545894627 /nfs/dbraw/zinc/89/46/27/545894627.db2.gz PVFBCESHXSLZQI-OAHLLOKOSA-N 1 0 314.404 3.410 10 0 DGAERO CC(C)(C)n1cc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cn1 ZINC000121474753 545895547 /nfs/dbraw/zinc/89/55/47/545895547.db2.gz ORYZAPQVPJPGAU-KRWDZBQOSA-N 1 0 316.493 3.112 10 0 DGAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(C)(C)CO ZINC000122010940 545900519 /nfs/dbraw/zinc/90/05/19/545900519.db2.gz JQJLITCOSJXXLG-LBPRGKRZSA-N 1 0 301.377 3.217 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ncc(Br)s1 ZINC000126426148 545921116 /nfs/dbraw/zinc/92/11/16/545921116.db2.gz FWTQXTFQHNUFOT-BDAKNGLRSA-N 1 0 305.241 3.125 10 0 DGAERO Cc1cc(F)c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000129305451 545941723 /nfs/dbraw/zinc/94/17/23/545941723.db2.gz MMFZKFTVPAUSRM-AWEZNQCLSA-N 1 0 322.399 3.364 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)C2CCC2)cc(Br)c1O ZINC000130546502 545951322 /nfs/dbraw/zinc/95/13/22/545951322.db2.gz YEFYPHHRHRFYEA-VIFPVBQESA-N 1 0 314.223 3.442 10 0 DGAERO Cc1ccc(CC[N@@H+](Cc2cncnc2)C[C@H]2CCCO2)cc1 ZINC000131078275 545954554 /nfs/dbraw/zinc/95/45/54/545954554.db2.gz SQJSZQGRMMXBQD-LJQANCHMSA-N 1 0 311.429 3.009 10 0 DGAERO Fc1ccc2oc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)nc2c1 ZINC000133101847 545966975 /nfs/dbraw/zinc/96/69/75/545966975.db2.gz UXXMBVMYERHRRY-LLVKDONJSA-N 1 0 300.337 3.070 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000136396033 545982030 /nfs/dbraw/zinc/98/20/30/545982030.db2.gz OHGQCLGZZGMUGW-CYBMUJFWSA-N 1 0 303.233 3.325 10 0 DGAERO Cc1cc(-c2nnc(C[N@H+](C)CCC3CCOCC3)o2)c(C)o1 ZINC000162251242 546077320 /nfs/dbraw/zinc/07/73/20/546077320.db2.gz SBWOQQCQMXVHQA-UHFFFAOYSA-N 1 0 319.405 3.195 10 0 DGAERO O=C(c1cccc(F)c1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000165335119 546092558 /nfs/dbraw/zinc/09/25/58/546092558.db2.gz GYPZEZOUSZLRST-RISCZKNCSA-N 1 0 310.800 3.083 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc3ccccc3nc2C)[C@H](C)C1 ZINC000175720133 546113260 /nfs/dbraw/zinc/11/32/60/546113260.db2.gz FBXLKSQHCBMPTF-AUUYWEPGSA-N 1 0 312.461 3.100 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000179932228 546140472 /nfs/dbraw/zinc/14/04/72/546140472.db2.gz IIPHJFSNXMFCKG-KRWDZBQOSA-N 1 0 302.462 3.345 10 0 DGAERO O[C@H](CN[C@@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044714 546140957 /nfs/dbraw/zinc/14/09/57/546140957.db2.gz DKHHZRMFOCPZOX-QZTJIDSGSA-N 1 0 322.880 3.228 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccc(F)c(Cl)c1 ZINC000180723293 546147496 /nfs/dbraw/zinc/14/74/96/546147496.db2.gz UFQPJVXGHGIHRI-LBPRGKRZSA-N 1 0 312.816 3.388 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCc2cccc(C)c2)C1 ZINC000181053247 546151669 /nfs/dbraw/zinc/15/16/69/546151669.db2.gz LVPQEUVAGISJBW-GOSISDBHSA-N 1 0 312.461 3.419 10 0 DGAERO CCCCNC(=O)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000181394401 546157352 /nfs/dbraw/zinc/15/73/52/546157352.db2.gz DCVDKVPPDRGZSV-OAHLLOKOSA-N 1 0 306.450 3.288 10 0 DGAERO C[NH+](C)C1CCN(C(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000182813072 546168200 /nfs/dbraw/zinc/16/82/00/546168200.db2.gz JFQFPPAFFVQORY-UHFFFAOYSA-N 1 0 317.767 3.176 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183205637 546173245 /nfs/dbraw/zinc/17/32/45/546173245.db2.gz LAHRLXBRFGAVPW-XUJVJEKNSA-N 1 0 310.825 3.133 10 0 DGAERO c1cnn(CC2CC[NH+](Cc3cccc4cnccc43)CC2)c1 ZINC000183285197 546173874 /nfs/dbraw/zinc/17/38/74/546173874.db2.gz MPKSTUNYMNTMJA-UHFFFAOYSA-N 1 0 306.413 3.344 10 0 DGAERO OC1CCC(C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000227771331 546268600 /nfs/dbraw/zinc/26/86/00/546268600.db2.gz JBXLDXAAKQVEOW-UHFFFAOYSA-N 1 0 316.214 3.229 10 0 DGAERO OC1CCC(C[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000227656559 546268607 /nfs/dbraw/zinc/26/86/07/546268607.db2.gz OZPWKFHSCMTPIU-UHFFFAOYSA-N 1 0 316.214 3.229 10 0 DGAERO CC[N@@H+]1CCC[C@@H](Nc2ncc(Br)cc2Cl)C1 ZINC000233468358 546277646 /nfs/dbraw/zinc/27/76/46/546277646.db2.gz XHHTXKMAXZEYHY-SNVBAGLBSA-N 1 0 318.646 3.394 10 0 DGAERO C[C@H](C(=O)NC[C@@H]1C[C@H]1c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000246707169 546305871 /nfs/dbraw/zinc/30/58/71/546305871.db2.gz WRABDDRWYNWEOR-UDTPNQRGSA-N 1 0 308.425 3.242 10 0 DGAERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1C[C@H]1c1ccco1 ZINC000255304388 546335126 /nfs/dbraw/zinc/33/51/26/546335126.db2.gz GMNNPCUTAGRCGG-FGTMMUONSA-N 1 0 324.424 3.336 10 0 DGAERO CC(C)(C)c1ccc(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261825945 546339222 /nfs/dbraw/zinc/33/92/22/546339222.db2.gz SZZFXBJGPTWQDS-NVXWUHKLSA-N 1 0 302.462 3.018 10 0 DGAERO C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc2c(c1)CCCC2 ZINC000262019120 546339836 /nfs/dbraw/zinc/33/98/36/546339836.db2.gz YKOYDXFAJREAAZ-JEBQAFNWSA-N 1 0 300.446 3.260 10 0 DGAERO Brc1cscc1CNC1CC[NH+](C2CC2)CC1 ZINC000285538855 546397444 /nfs/dbraw/zinc/39/74/44/546397444.db2.gz SZLATGPNZMYEQQ-UHFFFAOYSA-N 1 0 315.280 3.227 10 0 DGAERO CC[C@@H]1CN(c2ncc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000300044007 546435203 /nfs/dbraw/zinc/43/52/03/546435203.db2.gz CBMFLBZJCLUVCQ-LDYMZIIASA-N 1 0 318.646 3.061 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cc(Br)cs1 ZINC000300234601 546435161 /nfs/dbraw/zinc/43/51/61/546435161.db2.gz OLIBZEYSYFLTLV-LSJOCFKGSA-N 1 0 304.253 3.465 10 0 DGAERO C[C@@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)[C@H]1CO ZINC000299973655 546435164 /nfs/dbraw/zinc/43/51/64/546435164.db2.gz PDZDQKBCVQLZAG-MFKMUULPSA-N 1 0 304.217 3.075 10 0 DGAERO CC(C)(C[NH2+]C1CSC1)c1ccccc1Br ZINC000309407415 546450794 /nfs/dbraw/zinc/45/07/94/546450794.db2.gz XKTVBNLKVPBBNJ-UHFFFAOYSA-N 1 0 300.265 3.432 10 0 DGAERO CC(C)[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c2ccccc21 ZINC000333828395 546512430 /nfs/dbraw/zinc/51/24/30/546512430.db2.gz SHSGKSGNGKQPMN-DTTOXWODSA-N 1 0 315.461 3.311 10 0 DGAERO C1[C@@H](c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)[C@@H]1C1CCCC1 ZINC000351442888 546639590 /nfs/dbraw/zinc/63/95/90/546639590.db2.gz BDAVQZFWNIQSNE-CAOSSQGBSA-N 1 0 317.433 3.289 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000389773904 546752121 /nfs/dbraw/zinc/75/21/21/546752121.db2.gz AYMKNCUUWDJNAV-NXHRZFHOSA-N 1 0 304.503 3.382 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000389848585 546752900 /nfs/dbraw/zinc/75/29/00/546752900.db2.gz SKVRRUKMANVRMS-IPHXSNPTSA-N 1 0 321.468 3.366 10 0 DGAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](COCc3ccccc3)C2)C1 ZINC000393906759 546760467 /nfs/dbraw/zinc/76/04/67/546760467.db2.gz NKBVNOTVADUHGB-GBESFXJTSA-N 1 0 303.446 3.076 10 0 DGAERO CC(C)[NH+](CCNC(=O)c1cc(O)c2ccccc2c1)C(C)C ZINC000471628455 546901532 /nfs/dbraw/zinc/90/15/32/546901532.db2.gz QAUOCXWDBCRCMY-UHFFFAOYSA-N 1 0 314.429 3.394 10 0 DGAERO CCN(C)C(=O)C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000480722075 546909983 /nfs/dbraw/zinc/90/99/83/546909983.db2.gz AEZDIKSUGOHUNB-GOSISDBHSA-N 1 0 302.462 3.246 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000588619486 547026997 /nfs/dbraw/zinc/02/69/97/547026997.db2.gz AKRWKXYETWBSJV-BBLCHGJFSA-N 1 0 308.429 3.139 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)ccc1F ZINC000675055734 548148387 /nfs/dbraw/zinc/14/83/87/548148387.db2.gz XDJXATFFYGNJLC-BXUZGUMPSA-N 1 0 312.360 3.364 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2cc(F)ccc2F)C1 ZINC000675055434 548148789 /nfs/dbraw/zinc/14/87/89/548148789.db2.gz SHRKOFXPXVPQQA-BXUZGUMPSA-N 1 0 312.360 3.283 10 0 DGAERO CC[C@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000725242809 549811473 /nfs/dbraw/zinc/81/14/73/549811473.db2.gz UXMDWAPALWFFNI-BLLLJJGKSA-N 1 0 310.463 3.412 10 0 DGAERO CC(C)(C)OC(=O)C[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000725263492 549811953 /nfs/dbraw/zinc/81/19/53/549811953.db2.gz JWYMBLOYXAVYKG-QMMMGPOBSA-N 1 0 320.252 3.285 10 0 DGAERO CC(C)(C)OC(=O)C[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000725269254 563574672 /nfs/dbraw/zinc/57/46/72/563574672.db2.gz NMGVFCWCQWCLKT-QMMMGPOBSA-N 1 0 320.252 3.285 10 0 DGAERO Cc1cc(C[NH2+][C@H]2COC[C@@H]2C2CC2)ccc1Br ZINC000725269642 563575252 /nfs/dbraw/zinc/57/52/52/563575252.db2.gz OVBCPNLTSVESKA-HIFRSBDPSA-N 1 0 310.235 3.272 10 0 DGAERO CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677417 574556412 /nfs/dbraw/zinc/55/64/12/574556412.db2.gz PKDCJHRYMUETLZ-INIZCTEOSA-N 1 0 302.462 3.222 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1c(F)cccc1F ZINC000675052722 563855529 /nfs/dbraw/zinc/85/55/29/563855529.db2.gz DEXCPAUDZOPDLA-MFKMUULPSA-N 1 0 312.360 3.364 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cccc(F)c1F ZINC000675053964 563861182 /nfs/dbraw/zinc/86/11/82/563861182.db2.gz KWOXSFGVGSYAAI-GXFFZTMASA-N 1 0 312.360 3.364 10 0 DGAERO C/C(=C/C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc(F)c1 ZINC000732058919 574565731 /nfs/dbraw/zinc/56/57/31/574565731.db2.gz XHUJAIGYYVCXFV-NCIRPWHGSA-N 1 0 318.436 3.466 10 0 DGAERO C/C(=C/C(=O)NCC1([NH+](C)C)CCCC1)c1cccc(F)c1 ZINC000732057528 574565819 /nfs/dbraw/zinc/56/58/19/574565819.db2.gz HVSBNTOARAOMSU-KAMYIIQDSA-N 1 0 304.409 3.220 10 0 DGAERO C/C(=C\C(=O)NCC[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC000732057810 574565896 /nfs/dbraw/zinc/56/58/96/574565896.db2.gz KNXCZOHJCOXDCJ-NTCAYCPXSA-N 1 0 304.409 3.077 10 0 DGAERO C/C(=C\C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1cccc(F)c1 ZINC000732061479 574566104 /nfs/dbraw/zinc/56/61/04/574566104.db2.gz LTUVYRQWXRJAGC-WYURMQSCSA-N 1 0 318.436 3.466 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc(F)c1 ZINC000732086047 574566227 /nfs/dbraw/zinc/56/62/27/574566227.db2.gz WWSWQZPXVJUKLE-NKAIQICCSA-N 1 0 316.420 3.316 10 0 DGAERO C/C(=C/C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1cccc(F)c1 ZINC000732280932 574570410 /nfs/dbraw/zinc/57/04/10/574570410.db2.gz JVTZRVBKEIYVJI-OOXMNIKJSA-N 1 0 304.409 3.218 10 0 DGAERO CC(=O)CCN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000732666684 574578514 /nfs/dbraw/zinc/57/85/14/574578514.db2.gz ATMBKUMHJDSUNR-UHFFFAOYSA-N 1 0 318.505 3.190 10 0 DGAERO C[NH+](C)CCCNC(=S)NC(C1CCCC1)C1CCCC1 ZINC000735418021 574701253 /nfs/dbraw/zinc/70/12/53/574701253.db2.gz HQAQDDOUSHCBPL-UHFFFAOYSA-N 1 0 311.539 3.151 10 0 DGAERO C[C@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740882334 574944854 /nfs/dbraw/zinc/94/48/54/574944854.db2.gz LXDPIIYJFMQAAJ-RDJZCZTQSA-N 1 0 318.461 3.464 10 0 DGAERO CC(C)NC(=S)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000741498746 574959967 /nfs/dbraw/zinc/95/99/67/574959967.db2.gz OSJNGZNSCJHUQR-JSGCOSHPSA-N 1 0 311.520 3.004 10 0 DGAERO CC(C)NC(=S)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741498748 574960066 /nfs/dbraw/zinc/96/00/66/574960066.db2.gz OSJNGZNSCJHUQR-TZMCWYRMSA-N 1 0 311.520 3.004 10 0 DGAERO CCCOC(=O)[C@H](C)[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000741785582 574971217 /nfs/dbraw/zinc/97/12/17/574971217.db2.gz SJDFDOLNCRUKPK-CABCVRRESA-N 1 0 307.434 3.290 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)C(C)(C)O ZINC000393961307 575936162 /nfs/dbraw/zinc/93/61/62/575936162.db2.gz FTLLYAYHUWLOJU-QMTHXVAHSA-N 1 0 312.251 3.055 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000709176009 575943930 /nfs/dbraw/zinc/94/39/30/575943930.db2.gz IIYRFJDMFCQBDL-YVEFUNNKSA-N 1 0 322.474 3.366 10 0 DGAERO C[C@H]1SCC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398155232 575960435 /nfs/dbraw/zinc/96/04/35/575960435.db2.gz ZQPOPKGGIQHJCC-XYVMCAHJSA-N 1 0 304.503 3.381 10 0 DGAERO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](C)CC2)C1 ZINC000728199074 576168578 /nfs/dbraw/zinc/16/85/78/576168578.db2.gz RZEZTNAYLYWXFP-RDJZCZTQSA-N 1 0 300.446 3.390 10 0 DGAERO CCCCOC(=O)CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728685643 576194498 /nfs/dbraw/zinc/19/44/98/576194498.db2.gz BVWJSWMGMILABQ-GOSISDBHSA-N 1 0 324.509 3.308 10 0 DGAERO COCCC1(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000119776775 617978102 /nfs/dbraw/zinc/97/81/02/617978102.db2.gz QGGIJQUJBKTWQJ-QGZVFWFLSA-N 1 0 317.429 3.011 10 0 DGAERO Cn1cc(Cl)cc1C[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000120090072 617999751 /nfs/dbraw/zinc/99/97/51/617999751.db2.gz HDPFDYKHTDYZQQ-HNNXBMFYSA-N 1 0 313.228 3.497 10 0 DGAERO C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)nc3ccccc23)C1 ZINC000154651897 618092542 /nfs/dbraw/zinc/09/25/42/618092542.db2.gz BKJQDRVERJYBTH-AWEZNQCLSA-N 1 0 303.837 3.414 10 0 DGAERO Cc1ccccc1OCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000151106491 620423369 /nfs/dbraw/zinc/42/33/69/620423369.db2.gz OORVVVRTLGZPMU-KRWDZBQOSA-N 1 0 311.429 3.203 10 0 DGAERO [NH2+]=C(NCc1sccc1Br)NC1CCCCC1 ZINC000112801177 620855249 /nfs/dbraw/zinc/85/52/49/620855249.db2.gz XRUCVAAUWAUVQG-UHFFFAOYSA-N 1 0 316.268 3.457 10 0 DGAERO CC(C)(C)SCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114643904 621030345 /nfs/dbraw/zinc/03/03/45/621030345.db2.gz ZSWMGIJEMAEVNX-MRXNPFEDSA-N 1 0 320.502 3.299 10 0 DGAERO CC(C)OCCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989962 621071492 /nfs/dbraw/zinc/07/14/92/621071492.db2.gz NPDHRQZRAWTVLH-GOSISDBHSA-N 1 0 319.445 3.257 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C)c1ccncc1 ZINC000858008160 621143302 /nfs/dbraw/zinc/14/33/02/621143302.db2.gz LYYXOFFZDDENHF-GVDBMIGSSA-N 1 0 314.433 3.024 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@H](O)c2cc(F)ccc2F)cc1C ZINC000103144427 621265477 /nfs/dbraw/zinc/26/54/77/621265477.db2.gz OFZUJBSVQBURAP-KRWDZBQOSA-N 1 0 321.367 3.447 10 0 DGAERO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000117093896 621351677 /nfs/dbraw/zinc/35/16/77/621351677.db2.gz HLVNHAGJKYAKLO-OAHLLOKOSA-N 1 0 317.335 3.396 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000117754830 621444800 /nfs/dbraw/zinc/44/48/00/621444800.db2.gz BUWGXAYBKPDHSZ-ZNFPLGDCSA-N 1 0 323.440 3.239 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000119739737 621721660 /nfs/dbraw/zinc/72/16/60/621721660.db2.gz WKYYPBCFILYERX-INIZCTEOSA-N 1 0 304.434 3.048 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000119787821 621726946 /nfs/dbraw/zinc/72/69/46/621726946.db2.gz IMBNGMYLCSHUFE-HNNXBMFYSA-N 1 0 320.433 3.405 10 0 DGAERO CC/C(=C/C(=O)N1CCC([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000125652811 623507974 /nfs/dbraw/zinc/50/79/74/623507974.db2.gz YFLUBLWZHKNNRH-PFONDFGASA-N 1 0 316.445 3.041 10 0 DGAERO CC(=O)CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126161158 623710950 /nfs/dbraw/zinc/71/09/50/623710950.db2.gz DRZGZXWIPQBOGJ-GFCCVEGCSA-N 1 0 302.201 3.426 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(Br)cc1F ZINC000127156277 624288333 /nfs/dbraw/zinc/28/83/33/624288333.db2.gz INWCUKSOGOPECG-AMIZOPFISA-N 1 0 302.187 3.010 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000757183801 626753436 /nfs/dbraw/zinc/75/34/36/626753436.db2.gz HASAHPDCLUJBHP-QWHCGFSZSA-N 1 0 315.335 3.350 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000222091824 627234357 /nfs/dbraw/zinc/23/43/57/627234357.db2.gz LTTAPXNOYUVVOE-LLVKDONJSA-N 1 0 314.376 3.358 10 0 DGAERO Cc1ccccc1C[C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000223128438 627279140 /nfs/dbraw/zinc/27/91/40/627279140.db2.gz SXFVGAGGDZYEJK-OAHLLOKOSA-N 1 0 306.450 3.430 10 0 DGAERO O[C@@H](C[N@@H+]1CCCc2ccccc2C1)c1cc(F)ccc1F ZINC000106887081 631480837 /nfs/dbraw/zinc/48/08/37/631480837.db2.gz ODKFZYVUXQMVQZ-SFHVURJKSA-N 1 0 303.352 3.447 10 0 DGAERO CCc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000107666998 631678268 /nfs/dbraw/zinc/67/82/68/631678268.db2.gz GYZFYAYUSIEQTG-CQSZACIVSA-N 1 0 306.475 3.401 10 0 DGAERO CCOC(C[NH+]1CCC(Cc2ccccc2OC)CC1)OCC ZINC000184962411 660196932 /nfs/dbraw/zinc/19/69/32/660196932.db2.gz ZZVXUZZQWXZAJS-UHFFFAOYSA-N 1 0 321.461 3.349 10 0 DGAERO CC[C@@H](NCc1cc(=O)oc2cc(O)ccc12)c1nccs1 ZINC000185100296 660201867 /nfs/dbraw/zinc/20/18/67/660201867.db2.gz MDDHVYOMMRKEAH-CYBMUJFWSA-N 1 0 316.382 3.196 10 0 DGAERO Cc1cccnc1/C=C/C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000185274773 660213073 /nfs/dbraw/zinc/21/30/73/660213073.db2.gz NMOMGTZYJYTACI-QZEKMECESA-N 1 0 322.408 3.221 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000185313627 660215067 /nfs/dbraw/zinc/21/50/67/660215067.db2.gz VICPTPFJJGASEF-ZDUSSCGKSA-N 1 0 300.786 3.087 10 0 DGAERO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](CO)CC(C)C)c1O ZINC000185341456 660215584 /nfs/dbraw/zinc/21/55/84/660215584.db2.gz WFAPWTVOBRWJJF-AWEZNQCLSA-N 1 0 313.825 3.087 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000072897132 660226982 /nfs/dbraw/zinc/22/69/82/660226982.db2.gz RSXADFLHXWGZHU-CVEARBPZSA-N 1 0 315.461 3.346 10 0 DGAERO COc1ccc2c(C[N@@H+]3C[C@@H](C)CC[C@@H]3C)cc(=O)oc2c1 ZINC000174008244 659409931 /nfs/dbraw/zinc/40/99/31/659409931.db2.gz WODMZIIDKONDPU-STQMWFEESA-N 1 0 301.386 3.422 10 0 DGAERO CC(C)C[C@@H]([NH3+])Cc1nc(Cc2c(F)cccc2Cl)no1 ZINC000132378584 660490584 /nfs/dbraw/zinc/49/05/84/660490584.db2.gz VXIOYZPZJWXTSP-SNVBAGLBSA-N 1 0 311.788 3.369 10 0 DGAERO C[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000187813318 661904046 /nfs/dbraw/zinc/90/40/46/661904046.db2.gz VFCCVRKUWBJHDL-FZMZJTMJSA-N 1 0 304.217 3.138 10 0 DGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000228793202 660592234 /nfs/dbraw/zinc/59/22/34/660592234.db2.gz CVBCUDCHORTCRC-ZIAGYGMSSA-N 1 0 314.495 3.261 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@H]2CC[C@@H](C)SC2)CCN1C(=O)OC(C)(C)C ZINC000700753322 660633109 /nfs/dbraw/zinc/63/31/09/660633109.db2.gz HWNHHTBTORFIPP-MQYQWHSLSA-N 1 0 314.495 3.258 10 0 DGAERO O=C(/C=C/c1ccc(Cl)s1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000701171262 660659439 /nfs/dbraw/zinc/65/94/39/660659439.db2.gz CTAYHHGSJSZTMT-FUEXJSSKSA-N 1 0 310.850 3.206 10 0 DGAERO Clc1ccc(C[NH2+]CCOC2CCOCC2)cc1Cl ZINC000701381024 660666369 /nfs/dbraw/zinc/66/63/69/660666369.db2.gz ITEXTNBOLAGGEM-UHFFFAOYSA-N 1 0 304.217 3.279 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)CN1C(=O)OC(C)(C)C ZINC000701722424 660681222 /nfs/dbraw/zinc/68/12/22/660681222.db2.gz CCKZOGCBMRIYNA-LALPHHSUSA-N 1 0 318.408 3.409 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1ccsc1)C2 ZINC000701918420 660691517 /nfs/dbraw/zinc/69/15/17/660691517.db2.gz FYEONOLJBMZZEU-UHFFFAOYSA-N 1 0 308.447 3.237 10 0 DGAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@@H]1CC1(F)F ZINC000701936516 660693162 /nfs/dbraw/zinc/69/31/62/660693162.db2.gz SQFFYVVZKUXWTD-CHWSQXEVSA-N 1 0 320.424 3.418 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000701955256 660693557 /nfs/dbraw/zinc/69/35/57/660693557.db2.gz LWEAQVIJFXSVJR-AVGNSLFASA-N 1 0 318.408 3.267 10 0 DGAERO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@]1(C)CCCS1 ZINC000701922800 660695667 /nfs/dbraw/zinc/69/56/67/660695667.db2.gz QWOIXGSTLDHGRR-DOMZBBRYSA-N 1 0 302.484 3.117 10 0 DGAERO C[C@H](F)CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000702639719 660732772 /nfs/dbraw/zinc/73/27/72/660732772.db2.gz XHMMVCKFMRMRCI-BYNSBNAKSA-N 1 0 314.445 3.360 10 0 DGAERO C[C@@H]([NH2+]CCc1ccoc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000703029782 660755485 /nfs/dbraw/zinc/75/54/85/660755485.db2.gz YUWGQTOINWXJMA-ZBFHGGJFSA-N 1 0 322.449 3.447 10 0 DGAERO Cc1ncccc1C[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000705529171 660837431 /nfs/dbraw/zinc/83/74/31/660837431.db2.gz AUHXPACRTILJEN-BBRMVZONSA-N 1 0 319.449 3.125 10 0 DGAERO CCN(CCC[NH2+][C@@H](C)[C@@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000705989962 660841385 /nfs/dbraw/zinc/84/13/85/660841385.db2.gz SHPBUIQZCNSJGX-GJZGRUSLSA-N 1 0 314.470 3.181 10 0 DGAERO CC1(C)C[C@@]1(C)C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000706537359 660864953 /nfs/dbraw/zinc/86/49/53/660864953.db2.gz BOXSINYGJYWTLG-HNNXBMFYSA-N 1 0 315.866 3.269 10 0 DGAERO Cc1nc(C[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)[nH]c1C ZINC000708985709 660923717 /nfs/dbraw/zinc/92/37/17/660923717.db2.gz NTOJKVMHNAWWBP-CQSZACIVSA-N 1 0 324.469 3.056 10 0 DGAERO Fc1cccc(C[NH2+]CCc2ccns2)c1Br ZINC000709895684 660931138 /nfs/dbraw/zinc/93/11/38/660931138.db2.gz HJUXPRAFZCEIMT-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO FC(F)(F)Oc1cccc(C[NH2+]CCc2ccns2)c1 ZINC000709983709 660931401 /nfs/dbraw/zinc/93/14/01/660931401.db2.gz LYOLUCMTXSSTQV-UHFFFAOYSA-N 1 0 302.321 3.374 10 0 DGAERO C[C@H]([NH2+]CCc1ccns1)c1cncc(Br)c1 ZINC000709985548 660931682 /nfs/dbraw/zinc/93/16/82/660931682.db2.gz VUGBEHSGGVJKFZ-VIFPVBQESA-N 1 0 312.236 3.194 10 0 DGAERO C[C@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)CC(F)(F)F ZINC000710891071 660936854 /nfs/dbraw/zinc/93/68/54/660936854.db2.gz JFXGOQFESMAJCS-JTQLQIEISA-N 1 0 310.360 3.031 10 0 DGAERO COC1(OC)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000710962318 660938684 /nfs/dbraw/zinc/93/86/84/660938684.db2.gz ANTGUNCQWJTVRV-CYBMUJFWSA-N 1 0 304.217 3.277 10 0 DGAERO Fc1cccc2c1SCC[C@H]2[NH2+]CCO[C@@H]1CC1(F)F ZINC000709236491 660927534 /nfs/dbraw/zinc/92/75/34/660927534.db2.gz OSUIJSOXJHRUQD-VXGBXAGGSA-N 1 0 303.349 3.376 10 0 DGAERO COc1ccc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)cc1 ZINC000711458635 660954080 /nfs/dbraw/zinc/95/40/80/660954080.db2.gz IOMCIMGPZCBSOB-UHFFFAOYSA-N 1 0 320.433 3.088 10 0 DGAERO C[C@@H](C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)CC(F)F ZINC000711404982 660950413 /nfs/dbraw/zinc/95/04/13/660950413.db2.gz NVJDFEOXRAWVLH-VOMCLLRMSA-N 1 0 306.397 3.171 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000711405125 660950518 /nfs/dbraw/zinc/95/05/18/660950518.db2.gz MRKJKWIQKUATST-MAZHCROVSA-N 1 0 308.466 3.458 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC[C@@H]2CCSC2)C1 ZINC000711421659 660951427 /nfs/dbraw/zinc/95/14/27/660951427.db2.gz YAUCQFWBRQJHRC-MCIONIFRSA-N 1 0 314.495 3.023 10 0 DGAERO CSC(C)(C)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711460904 660953996 /nfs/dbraw/zinc/95/39/96/660953996.db2.gz YPVNUAPZPMXHCJ-TXEJJXNPSA-N 1 0 302.484 3.021 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1nccn1C1CC1 ZINC000711795157 660963445 /nfs/dbraw/zinc/96/34/45/660963445.db2.gz NPKYDCWSBWYART-SJLPKXTDSA-N 1 0 324.472 3.076 10 0 DGAERO CC[C@](C)(O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000087011586 660964037 /nfs/dbraw/zinc/96/40/37/660964037.db2.gz AMHOMFXLWMBBMP-JSGCOSHPSA-N 1 0 314.223 3.023 10 0 DGAERO C[C@H](C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000711480898 660954706 /nfs/dbraw/zinc/95/47/06/660954706.db2.gz UIBTZSIXJTVZDZ-KFWWJZLASA-N 1 0 319.449 3.078 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCc2cccs2)C1 ZINC000711503661 660955435 /nfs/dbraw/zinc/95/54/35/660955435.db2.gz GPRWVXUYGZLFDX-BETUJISGSA-N 1 0 310.463 3.184 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3ccccn3)CCC[C@H]12 ZINC000711637530 660959950 /nfs/dbraw/zinc/95/99/50/660959950.db2.gz AAADQEPHQPOUKI-YJBOKZPZSA-N 1 0 317.433 3.103 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3ccco3)CCC[C@H]12 ZINC000711626037 660960004 /nfs/dbraw/zinc/96/00/04/660960004.db2.gz RWJDJTXYCTYSEN-YOEHRIQHSA-N 1 0 306.406 3.301 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cscn3)CCC[C@@H]12 ZINC000711651490 660961339 /nfs/dbraw/zinc/96/13/39/660961339.db2.gz SQNFYHUPLZIQAI-CZUORRHYSA-N 1 0 323.462 3.165 10 0 DGAERO CC(C)[NH+](CCCNS(=O)(=O)/C=C\c1ccccc1)C(C)C ZINC000255007283 655557479 /nfs/dbraw/zinc/55/74/79/655557479.db2.gz TUGDWIUPYZBIMP-KAMYIIQDSA-N 1 0 324.490 3.086 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C(/C)c1ccc(F)cc1 ZINC000255026323 655563976 /nfs/dbraw/zinc/56/39/76/655563976.db2.gz RGBKGSMWVSIKBF-AINHQSCGSA-N 1 0 304.409 3.172 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000255049570 655577440 /nfs/dbraw/zinc/57/74/40/655577440.db2.gz AYUBIRYKOOGZDJ-QINSGFPZSA-N 1 0 318.436 3.466 10 0 DGAERO FC(F)(F)c1cc(Cl)nc(N2CC[NH+]3CCC2CC3)c1 ZINC000722779913 655584939 /nfs/dbraw/zinc/58/49/39/655584939.db2.gz OHVVKRRUTQFDPO-UHFFFAOYSA-N 1 0 305.731 3.038 10 0 DGAERO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccccc1-n1cccn1 ZINC000177339382 655600260 /nfs/dbraw/zinc/60/02/60/655600260.db2.gz FONPODMKNRMNEO-JXFKEZNVSA-N 1 0 321.424 3.431 10 0 DGAERO COCCCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000044657932 655622223 /nfs/dbraw/zinc/62/22/23/655622223.db2.gz ISYLVAGMJRXFKZ-CYBMUJFWSA-N 1 0 314.223 3.289 10 0 DGAERO Cc1ccnc(NCc2ccc(CC[NH3+])cc2)c1Br ZINC000235938533 655623027 /nfs/dbraw/zinc/62/30/27/655623027.db2.gz TUKPYYGOJADBFY-UHFFFAOYSA-N 1 0 320.234 3.266 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000255203218 655645210 /nfs/dbraw/zinc/64/52/10/655645210.db2.gz RYTKWFFDVBLFFF-VWILAXROSA-N 1 0 313.376 3.117 10 0 DGAERO CCc1cnc(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000234256295 655662432 /nfs/dbraw/zinc/66/24/32/655662432.db2.gz OYHIMNPPBVSKCP-JSGCOSHPSA-N 1 0 323.437 3.020 10 0 DGAERO OCC[C@H]1CCCC[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091741659 655693613 /nfs/dbraw/zinc/69/36/13/655693613.db2.gz VWBGDBLDROAXJL-HZPDHXFCSA-N 1 0 322.836 3.070 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CC[C@H]2CC(=O)N(C)C2)c2ccsc2S1 ZINC000723555527 655699337 /nfs/dbraw/zinc/69/93/37/655699337.db2.gz JWFFHNCPUXVESZ-GVXVVHGQSA-N 1 0 310.488 3.132 10 0 DGAERO C[C@H]([NH2+]Cc1ncc(I)s1)C1(C)CC1 ZINC000308550327 655708560 /nfs/dbraw/zinc/70/85/60/655708560.db2.gz XFUUTDOHKSSTBH-ZETCQYMHSA-N 1 0 322.215 3.026 10 0 DGAERO CC[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(Cl)c1 ZINC000723847502 655724310 /nfs/dbraw/zinc/72/43/10/655724310.db2.gz IUAMWZXHPJLELT-CQSZACIVSA-N 1 0 317.882 3.452 10 0 DGAERO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724055845 655739387 /nfs/dbraw/zinc/73/93/87/655739387.db2.gz BLVNATNROJUSAH-OPRDCNLKSA-N 1 0 321.355 3.199 10 0 DGAERO C[C@](O)(C[N@@H+]1CCC[C@H](CCF)C1)C(F)(F)C(F)(F)F ZINC000724096720 655741510 /nfs/dbraw/zinc/74/15/10/655741510.db2.gz NKOPNUIFHKCWES-ZJUUUORDSA-N 1 0 307.278 3.007 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCC[C@@H](CCF)C1)C(F)(F)C(F)(F)F ZINC000724096719 655741565 /nfs/dbraw/zinc/74/15/65/655741565.db2.gz NKOPNUIFHKCWES-VHSXEESVSA-N 1 0 307.278 3.007 10 0 DGAERO CC[N@H+](Cc1ccoc1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724113847 655743154 /nfs/dbraw/zinc/74/31/54/655743154.db2.gz IDERIQHBSCHIOU-SNVBAGLBSA-N 1 0 301.255 3.050 10 0 DGAERO C[C@](O)(C[NH2+][C@H](C1CC1)C1CCC1)C(F)(F)C(F)(F)F ZINC000724114566 655744073 /nfs/dbraw/zinc/74/40/73/655744073.db2.gz FDJBHELLUXYRPJ-QWRGUYRKSA-N 1 0 301.299 3.103 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000176258530 655746472 /nfs/dbraw/zinc/74/64/72/655746472.db2.gz CYOKUCORVJOLSF-JMPLCFMRSA-N 1 0 318.436 3.466 10 0 DGAERO C/C(=C\C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000176282491 655747995 /nfs/dbraw/zinc/74/79/95/655747995.db2.gz RLRYQDXZNSSOIM-QSOAKEGCSA-N 1 0 304.821 3.050 10 0 DGAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccnc2ccccc12 ZINC000255437266 655749846 /nfs/dbraw/zinc/74/98/46/655749846.db2.gz WEGGDXTWUKKGGS-OLHLWXQYSA-N 1 0 323.440 3.047 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(Cl)c1 ZINC000724620652 655795588 /nfs/dbraw/zinc/79/55/88/655795588.db2.gz JZAMBHQOIIFBST-NYMYIZQJSA-N 1 0 316.228 3.448 10 0 DGAERO CC1CCC(C[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000712469833 661188705 /nfs/dbraw/zinc/18/87/05/661188705.db2.gz JNWDTIIKZUVLQH-UHFFFAOYSA-N 1 0 300.244 3.099 10 0 DGAERO Cc1cnc(N2CC[N@@H+](C)C(C)(C)CC2)c(Br)c1 ZINC000712634459 661189551 /nfs/dbraw/zinc/18/95/51/661189551.db2.gz YXZPDKXPJKXTLF-UHFFFAOYSA-N 1 0 312.255 3.073 10 0 DGAERO CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000261637922 655814410 /nfs/dbraw/zinc/81/44/10/655814410.db2.gz DPGZTGPNFKSJOZ-YOEHRIQHSA-N 1 0 318.461 3.429 10 0 DGAERO CC[C@@H]1COC[C@H]1[NH2+]CCc1sccc1Br ZINC000713045251 661189709 /nfs/dbraw/zinc/18/97/09/661189709.db2.gz LZKRIGPALCVRGV-MWLCHTKSSA-N 1 0 304.253 3.068 10 0 DGAERO CC[C@@H]([NH2+]CCc1sccc1Br)[C@H]1CCOC1 ZINC000713115024 661190230 /nfs/dbraw/zinc/19/02/30/661190230.db2.gz DYBWXVVQRANJRG-CMPLNLGQSA-N 1 0 318.280 3.458 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]CCc1sccc1Br ZINC000713092844 661190240 /nfs/dbraw/zinc/19/02/40/661190240.db2.gz FPXJIBJDLVPNQE-MWLCHTKSSA-N 1 0 304.253 3.068 10 0 DGAERO C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000713109084 661190269 /nfs/dbraw/zinc/19/02/69/661190269.db2.gz BGIGNDPNATYHBR-UONOGXRCSA-N 1 0 301.496 3.006 10 0 DGAERO C[C@H]([NH2+]CCc1sccc1Br)c1nccn1C ZINC000713106199 661190274 /nfs/dbraw/zinc/19/02/74/661190274.db2.gz YQCRUWLDHLDNDU-VIFPVBQESA-N 1 0 314.252 3.137 10 0 DGAERO CCn1nccc1C[NH2+]CCc1sccc1Br ZINC000713106024 661190318 /nfs/dbraw/zinc/19/03/18/661190318.db2.gz ULABKUHXNCHKCK-UHFFFAOYSA-N 1 0 314.252 3.059 10 0 DGAERO C=C/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000713499744 661190901 /nfs/dbraw/zinc/19/09/01/661190901.db2.gz UHJFCCBACSYFSL-WIYHPRKFSA-N 1 0 306.450 3.496 10 0 DGAERO Cc1nocc1C[NH2+]CCc1sccc1Br ZINC000713491092 661191196 /nfs/dbraw/zinc/19/11/96/661191196.db2.gz MNQLMTMLYVVBKJ-UHFFFAOYSA-N 1 0 301.209 3.139 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)/C=C/c1cccs1)c1ccccc1 ZINC000052555940 655825260 /nfs/dbraw/zinc/82/52/60/655825260.db2.gz PNGNXESWNRMTRN-OFAQMXQXSA-N 1 0 300.427 3.180 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000724918155 655829996 /nfs/dbraw/zinc/82/99/96/655829996.db2.gz QTXNTOWAIDQRFX-YXMLORGKSA-N 1 0 316.626 3.106 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000721570969 655851343 /nfs/dbraw/zinc/85/13/43/655851343.db2.gz PERRJNVHTLQMRN-MCIONIFRSA-N 1 0 314.470 3.083 10 0 DGAERO Cn1cc(C[NH+]2CCCCCCCC2)c(Br)n1 ZINC000713809270 661194617 /nfs/dbraw/zinc/19/46/17/661194617.db2.gz UUIGGLBFSLXLBW-UHFFFAOYSA-N 1 0 300.244 3.339 10 0 DGAERO COCC1CC([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000713944552 661195192 /nfs/dbraw/zinc/19/51/92/661195192.db2.gz XIPFNRAGGPSAJH-UHFFFAOYSA-N 1 0 305.752 3.456 10 0 DGAERO CC[C@H](CC1CCCCC1)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714338620 661198600 /nfs/dbraw/zinc/19/86/00/661198600.db2.gz ONGUECCPBUJBKQ-CVEARBPZSA-N 1 0 301.496 3.292 10 0 DGAERO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000714342793 661198781 /nfs/dbraw/zinc/19/87/81/661198781.db2.gz RRXNXMXVIGEVFV-JTQLQIEISA-N 1 0 322.257 3.050 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Cl)s1 ZINC000714377394 661199451 /nfs/dbraw/zinc/19/94/51/661199451.db2.gz VZPZCUPHWCBWOQ-VHSXEESVSA-N 1 0 307.868 3.019 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)c2ccc(-c3ccccc3)n2C)C[N@@H+]1C1CC1 ZINC000177051001 655890368 /nfs/dbraw/zinc/89/03/68/655890368.db2.gz HACKLDMVCDBRIC-ZBFHGGJFSA-N 1 0 323.440 3.047 10 0 DGAERO CCCCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@H]([NH3+])C1 ZINC000255696892 655890468 /nfs/dbraw/zinc/89/04/68/655890468.db2.gz XVUCFEOMOWSYMY-CMUBDUJZSA-N 1 0 312.413 3.348 10 0 DGAERO CC(C)(C[NH3+])C1CCN(c2cncc(Br)c2)CC1 ZINC000714391977 661199925 /nfs/dbraw/zinc/19/99/25/661199925.db2.gz PMJNHCCWLSPXQA-UHFFFAOYSA-N 1 0 312.255 3.045 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000714443477 661200859 /nfs/dbraw/zinc/20/08/59/661200859.db2.gz ARJSYWWWEQLRIH-OKILXGFUSA-N 1 0 314.470 3.037 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1c2cccc3cccc(c23)C1=O ZINC000177163633 655915824 /nfs/dbraw/zinc/91/58/24/655915824.db2.gz UGKVMNUZTVCAGT-MRXNPFEDSA-N 1 0 323.440 3.174 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000715705094 661213749 /nfs/dbraw/zinc/21/37/49/661213749.db2.gz YVWGKTKDDXQCOV-QWRGUYRKSA-N 1 0 313.829 3.126 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000177929780 655950607 /nfs/dbraw/zinc/95/06/07/655950607.db2.gz LGUJGQVZHJPWFX-OLZOCXBDSA-N 1 0 313.445 3.254 10 0 DGAERO O=C(C[C@H]1CCCO1)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000066542956 655954190 /nfs/dbraw/zinc/95/41/90/655954190.db2.gz LLZTWNYVRKHNLS-GOSISDBHSA-N 1 0 317.429 3.011 10 0 DGAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccc(F)cn1 ZINC000715095104 661208226 /nfs/dbraw/zinc/20/82/26/661208226.db2.gz CZHSCNKJPPRVPT-LKSINWNRSA-N 1 0 323.412 3.175 10 0 DGAERO CSC(C)(C)CC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000715086119 661208304 /nfs/dbraw/zinc/20/83/04/661208304.db2.gz RDGUYYKQZQQLFM-UHFFFAOYSA-N 1 0 316.511 3.411 10 0 DGAERO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1cncnc1)c1cccs1 ZINC000180508464 655966566 /nfs/dbraw/zinc/96/65/66/655966566.db2.gz LTVACBJPLXWCBT-JKSUJKDBSA-N 1 0 317.458 3.406 10 0 DGAERO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1cncnc1)c1ccccc1 ZINC000180510020 655966583 /nfs/dbraw/zinc/96/65/83/655966583.db2.gz QQAPWFPWWJZXDM-RBUKOAKNSA-N 1 0 311.429 3.345 10 0 DGAERO [NH3+]C1CC(CNC(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000715146081 661208765 /nfs/dbraw/zinc/20/87/65/661208765.db2.gz NFXIILBBALPJSI-UHFFFAOYSA-N 1 0 312.797 3.161 10 0 DGAERO C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1cccc(Cl)c1Cl ZINC000715220642 661209054 /nfs/dbraw/zinc/20/90/54/661209054.db2.gz PDBGHEJRSBIRFJ-XNWIYYODSA-N 1 0 322.257 3.220 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000715134600 661209598 /nfs/dbraw/zinc/20/95/98/661209598.db2.gz AYBZZFMXOWOKEZ-DGXTUMSLSA-N 1 0 308.466 3.316 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC[C@H]2CCCS2)CC1 ZINC000715644370 661213602 /nfs/dbraw/zinc/21/36/02/661213602.db2.gz RIKGSSNMNSKTDA-CQSZACIVSA-N 1 0 314.495 3.261 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC[C@H]1CCCS1 ZINC000715715141 661214184 /nfs/dbraw/zinc/21/41/84/661214184.db2.gz GDLYFRDXAQPOJD-GFCCVEGCSA-N 1 0 302.484 3.165 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)ccc1F ZINC000715974854 661217563 /nfs/dbraw/zinc/21/75/63/661217563.db2.gz GFSMOLFFKJPDQI-QWHCGFSZSA-N 1 0 311.397 3.274 10 0 DGAERO O[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)c1ccsc1 ZINC000716161621 661219348 /nfs/dbraw/zinc/21/93/48/661219348.db2.gz MCXAOIZXHBDZSA-JCYILVPMSA-N 1 0 303.427 3.119 10 0 DGAERO C[C@@H](C[NH2+]Cc1cc(F)ccc1F)N(C)C(=O)OC(C)(C)C ZINC000309862676 656089679 /nfs/dbraw/zinc/08/96/79/656089679.db2.gz JPAGUQAHXOCMCV-NSHDSACASA-N 1 0 314.376 3.310 10 0 DGAERO [NH3+][C@@H](CC1CC1)C(=O)Nc1ccccc1OCc1ccccc1 ZINC000309872907 656092545 /nfs/dbraw/zinc/09/25/45/656092545.db2.gz HEWQZSAFSIUXPV-INIZCTEOSA-N 1 0 310.397 3.332 10 0 DGAERO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO1 ZINC000309875943 656092961 /nfs/dbraw/zinc/09/29/61/656092961.db2.gz VVUOZTXOQSSDIL-ILXRZTDVSA-N 1 0 314.470 3.035 10 0 DGAERO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cscc1Br ZINC000309570750 656107872 /nfs/dbraw/zinc/10/78/72/656107872.db2.gz NOTZKIRKFREPDD-ZJUUUORDSA-N 1 0 304.253 3.415 10 0 DGAERO CCn1cc(N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000716645006 661226232 /nfs/dbraw/zinc/22/62/32/661226232.db2.gz QSLXSJVOMURKLK-SCTDSRPQSA-N 1 0 310.445 3.368 10 0 DGAERO COc1cc(F)cc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1 ZINC000312287655 656124509 /nfs/dbraw/zinc/12/45/09/656124509.db2.gz SRFXKMMNRVHVII-AATRIKPKSA-N 1 0 324.396 3.005 10 0 DGAERO C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000716605257 661227222 /nfs/dbraw/zinc/22/72/22/661227222.db2.gz OOPHJQBOFHRGBI-VIFPVBQESA-N 1 0 301.217 3.111 10 0 DGAERO CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(C)no1 ZINC000310013495 656131599 /nfs/dbraw/zinc/13/15/99/656131599.db2.gz MBFZLQQHGIDYOQ-CYBMUJFWSA-N 1 0 311.426 3.156 10 0 DGAERO O[C@@H](CC[NH2+]Cc1ccc(SC(F)(F)F)cc1)C(F)F ZINC000716717539 661228253 /nfs/dbraw/zinc/22/82/53/661228253.db2.gz RHMJPVWFACJMID-JTQLQIEISA-N 1 0 315.307 3.404 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)c(C)s1 ZINC000716808532 661229525 /nfs/dbraw/zinc/22/95/25/661229525.db2.gz AEYFBBNWRFQVKI-PSASIEDQSA-N 1 0 306.269 3.458 10 0 DGAERO COc1ccc(CCNC(=[NH2+])NCc2ccc(C3CC3)cc2)cc1 ZINC000190472069 656161440 /nfs/dbraw/zinc/16/14/40/656161440.db2.gz KOFCODLWCGAERU-UHFFFAOYSA-N 1 0 323.440 3.429 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000716941760 661234465 /nfs/dbraw/zinc/23/44/65/661234465.db2.gz HZSFHVXTPYKDBZ-PWSUYJOCSA-N 1 0 316.239 3.097 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(OC)cc1Br ZINC000716941523 661234489 /nfs/dbraw/zinc/23/44/89/661234489.db2.gz GBUULOYUTOLMEE-ZYHUDNBSSA-N 1 0 316.239 3.097 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000053706532 656202982 /nfs/dbraw/zinc/20/29/82/656202982.db2.gz WLBILEGODMKLFB-SNVBAGLBSA-N 1 0 307.747 3.332 10 0 DGAERO C/C(=C/c1ccccc1Cl)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299737433 656222473 /nfs/dbraw/zinc/22/24/73/656222473.db2.gz KYTWNJOESDOGJG-HVCHUGMYSA-N 1 0 304.821 3.050 10 0 DGAERO [NH3+][C@H]1CN(c2nc3ccccc3s2)CC[C@@H]1C(F)(F)F ZINC000717088892 661247364 /nfs/dbraw/zinc/24/73/64/661247364.db2.gz FOQWKBKGPMOFCN-IUCAKERBSA-N 1 0 301.337 3.012 10 0 DGAERO CCCC[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717130641 661250941 /nfs/dbraw/zinc/25/09/41/661250941.db2.gz JZUDVIMSHCNHQB-LBPRGKRZSA-N 1 0 306.397 3.268 10 0 DGAERO CSc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000717153011 661255753 /nfs/dbraw/zinc/25/57/53/661255753.db2.gz SDVJLLAXLUDNEZ-QWHCGFSZSA-N 1 0 304.381 3.120 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)C1CC1 ZINC000717149188 661255767 /nfs/dbraw/zinc/25/57/67/661255767.db2.gz AIFGOEYNMXRUFE-AAEUAGOBSA-N 1 0 318.408 3.267 10 0 DGAERO Cc1nn(C)c(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)c1Br ZINC000717157749 661255897 /nfs/dbraw/zinc/25/58/97/661255897.db2.gz SVIJWWQZBIAMCD-SRVKXCTJSA-N 1 0 312.255 3.017 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Cl)cc(OC)c1O ZINC000248401985 656397596 /nfs/dbraw/zinc/39/75/96/656397596.db2.gz TZQLFMFOHCQWRB-GJZGRUSLSA-N 1 0 324.852 3.113 10 0 DGAERO [NH3+]C[C@@H](NC(=O)c1cscc1C(F)F)C1CCCCC1 ZINC000717241189 661259206 /nfs/dbraw/zinc/25/92/06/661259206.db2.gz IEZBAKHDNLDHGN-GFCCVEGCSA-N 1 0 302.390 3.323 10 0 DGAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000717554266 661265415 /nfs/dbraw/zinc/26/54/15/661265415.db2.gz KSTBVMPGVXIHSY-TUVASFSCSA-N 1 0 301.496 3.147 10 0 DGAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000717554264 661265493 /nfs/dbraw/zinc/26/54/93/661265493.db2.gz KSTBVMPGVXIHSY-KBXIAJHMSA-N 1 0 301.496 3.147 10 0 DGAERO CC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000723950822 656504664 /nfs/dbraw/zinc/50/46/64/656504664.db2.gz KGMAGNUQWCYFDW-UYAOXDASSA-N 1 0 316.489 3.446 10 0 DGAERO CC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCCOC1 ZINC000723952349 656504759 /nfs/dbraw/zinc/50/47/59/656504759.db2.gz QVKOVOSDVYUNJF-RTBURBONSA-N 1 0 313.445 3.226 10 0 DGAERO CC[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000723950821 656504899 /nfs/dbraw/zinc/50/48/99/656504899.db2.gz KGMAGNUQWCYFDW-QUCCMNQESA-N 1 0 316.489 3.446 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)C1 ZINC000724036712 656506526 /nfs/dbraw/zinc/50/65/26/656506526.db2.gz AQZNRRQPPFUJKU-FRRDWIJNSA-N 1 0 314.495 3.163 10 0 DGAERO CSCCCCC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724109466 656509861 /nfs/dbraw/zinc/50/98/61/656509861.db2.gz MDZRDQPRWURPLW-VIFPVBQESA-N 1 0 309.344 3.058 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(C)o1 ZINC000106547939 656618903 /nfs/dbraw/zinc/61/89/03/656618903.db2.gz VSMJWAZFHHDJAR-DZGCQCFKSA-N 1 0 319.449 3.274 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc(Cl)n1 ZINC000722383227 656637367 /nfs/dbraw/zinc/63/73/67/656637367.db2.gz PJNYGOIPQFOLTD-WDEREUQCSA-N 1 0 308.731 3.243 10 0 DGAERO C[C@@H](NC(=O)c1ccnc(C[NH3+])c1)c1ccc(C(C)(C)C)cc1 ZINC000261679173 656964414 /nfs/dbraw/zinc/96/44/14/656964414.db2.gz HWYMFNSWBSFCDQ-CYBMUJFWSA-N 1 0 311.429 3.329 10 0 DGAERO C/C(=C/C(=O)N1CCC([NH+](C)C)CC1)c1ccccc1Cl ZINC000067151611 657025541 /nfs/dbraw/zinc/02/55/41/657025541.db2.gz XESSIHOVTIPSRG-SEYXRHQNSA-N 1 0 306.837 3.296 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000237015702 657045943 /nfs/dbraw/zinc/04/59/43/657045943.db2.gz AVNOIEWGDPCLJD-BDJLRTHQSA-N 1 0 317.364 3.325 10 0 DGAERO O=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000261806010 657109027 /nfs/dbraw/zinc/10/90/27/657109027.db2.gz ZEYYESINLLLTKW-ASUPZPJHSA-N 1 0 318.383 3.144 10 0 DGAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000261903736 657172601 /nfs/dbraw/zinc/17/26/01/657172601.db2.gz RYSBAMVDZMWNPT-HNNXBMFYSA-N 1 0 324.424 3.039 10 0 DGAERO C[NH2+]CCc1ccccc1C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000262057417 657302584 /nfs/dbraw/zinc/30/25/84/657302584.db2.gz DQTQZRFTAYQTBF-HOTGVXAUSA-N 1 0 302.462 3.395 10 0 DGAERO Cc1conc1C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000720359587 657474129 /nfs/dbraw/zinc/47/41/29/657474129.db2.gz XUIXWIASHANGLT-SJORKVTESA-N 1 0 300.402 3.457 10 0 DGAERO Cc1cc2c(nc(Cc3ccccc3)nc2N2CC[NH2+]CC2)s1 ZINC000096204269 657512967 /nfs/dbraw/zinc/51/29/67/657512967.db2.gz AVVMCIDWHIFCDF-UHFFFAOYSA-N 1 0 324.453 3.000 10 0 DGAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3ccccc3Br)no2)C1 ZINC000097068065 657590828 /nfs/dbraw/zinc/59/08/28/657590828.db2.gz ZGXUBNZRFOYWGU-DTWKUNHWSA-N 1 0 308.179 3.094 10 0 DGAERO [NH3+][C@H]1CC[C@@H](c2nc(Cc3ccccc3Br)no2)C1 ZINC000097068261 657591415 /nfs/dbraw/zinc/59/14/15/657591415.db2.gz NXYMNZDBBGRJLT-MNOVXSKESA-N 1 0 322.206 3.018 10 0 DGAERO CCOc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC000304239591 657611389 /nfs/dbraw/zinc/61/13/89/657611389.db2.gz CUUBGPUCLYGCFG-AWEZNQCLSA-N 1 0 322.449 3.430 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(CSc2ccc(F)cc2)no1 ZINC000097329199 657631855 /nfs/dbraw/zinc/63/18/55/657631855.db2.gz IJVCXXMWKULQNT-GWCFXTLKSA-N 1 0 307.394 3.343 10 0 DGAERO C[C@@H](c1ccc(F)c(Cl)c1)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720865470 658152166 /nfs/dbraw/zinc/15/21/66/658152166.db2.gz IKIGAMNVGHMLCB-LPBBDHJYSA-N 1 0 310.722 3.362 10 0 DGAERO C[C@H](c1cccc(Cl)c1)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720878787 658154481 /nfs/dbraw/zinc/15/44/81/658154481.db2.gz UDGICWMWFZCLTN-CDMKHQONSA-N 1 0 306.759 3.470 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]C[C@@H]1CCC=CO1 ZINC000721045313 658412829 /nfs/dbraw/zinc/41/28/29/658412829.db2.gz LOVRJGWLYJEEAT-OAGGEKHMSA-N 1 0 324.465 3.162 10 0 DGAERO CC[C@](C)(C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)OC ZINC000322620986 658549387 /nfs/dbraw/zinc/54/93/87/658549387.db2.gz NOYWHQWXTXKZSR-JKIFEVAISA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)NC(=O)[C@@H](C)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722113753 658776184 /nfs/dbraw/zinc/77/61/84/658776184.db2.gz KVIDTBKSOGJSBO-SNVBAGLBSA-N 1 0 303.233 3.039 10 0 DGAERO Cc1cc(C)cc([C@@H](O)CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000163901341 658906773 /nfs/dbraw/zinc/90/67/73/658906773.db2.gz STAYLQQNIYWKHY-FQEVSTJZSA-N 1 0 316.489 3.287 10 0 DGAERO CCc1ccc2oc(C(=O)N[C@H]3C[NH+]4CCC3CC4)c(C)c2c1 ZINC000222553503 658939060 /nfs/dbraw/zinc/93/90/60/658939060.db2.gz RINUBCDFCFKJKJ-INIZCTEOSA-N 1 0 312.413 3.128 10 0 DGAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000722506628 658960023 /nfs/dbraw/zinc/96/00/23/658960023.db2.gz YIUKSJBQFKUNOO-IIDMSEBBSA-N 1 0 300.446 3.059 10 0 DGAERO C[C@H]([NH3+])[C@H]1CCCN(Cc2cccc(F)c2Br)C1 ZINC000157010240 658976340 /nfs/dbraw/zinc/97/63/40/658976340.db2.gz VBTQLTOFSSUHCN-QWRGUYRKSA-N 1 0 315.230 3.147 10 0 DGAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cccc(F)c1Br ZINC000157004656 658978598 /nfs/dbraw/zinc/97/85/98/658978598.db2.gz RGPUPAGJIUYMLV-GXFFZTMASA-N 1 0 315.230 3.290 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)C1(C)C ZINC000224724881 659027606 /nfs/dbraw/zinc/02/76/06/659027606.db2.gz OTUHUOXNDDWULQ-MGPQQGTHSA-N 1 0 314.470 3.083 10 0 DGAERO Cc1cnc(CC[N@@H+](C)C[C@@H](O)c2cc(C)cc(C)c2)s1 ZINC000157439230 659061938 /nfs/dbraw/zinc/06/19/38/659061938.db2.gz CEIQMKNYEITLJU-MRXNPFEDSA-N 1 0 304.459 3.276 10 0 DGAERO FC(F)(F)c1cc(Cl)nc(N2CC[NH+](C3CC3)CC2)c1 ZINC000225803597 659082924 /nfs/dbraw/zinc/08/29/24/659082924.db2.gz MIEPKDFKODRBQQ-UHFFFAOYSA-N 1 0 305.731 3.038 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]C2CCS(=O)CC2)cc1 ZINC000157949351 659129912 /nfs/dbraw/zinc/12/99/12/659129912.db2.gz PHYOQBTXXFEVRG-DOOHWEDMSA-N 1 0 309.475 3.283 10 0 DGAERO Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000227555427 659157625 /nfs/dbraw/zinc/15/76/25/659157625.db2.gz PBUJISKKWAPMHK-GFCCVEGCSA-N 1 0 309.410 3.033 10 0 DGAERO [NH3+][C@@H]1CC[C@H](CNc2ncc(Cl)cc2Br)C1 ZINC000227646020 659160345 /nfs/dbraw/zinc/16/03/45/659160345.db2.gz LBFMSOUVVWSGQZ-IONNQARKSA-N 1 0 304.619 3.037 10 0 DGAERO CC[C@@H](C[NH2+]Cc1cc(C)c(O)c(C)c1)NC(=O)OC(C)(C)C ZINC000227716792 659162375 /nfs/dbraw/zinc/16/23/75/659162375.db2.gz KAVUWFBANOUZSG-HNNXBMFYSA-N 1 0 322.449 3.402 10 0 DGAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000228113937 659174917 /nfs/dbraw/zinc/17/49/17/659174917.db2.gz VASDSIPNBLZGDA-FVCCEPFGSA-N 1 0 306.372 3.131 10 0 DGAERO CSCCCC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000229244698 659247878 /nfs/dbraw/zinc/24/78/78/659247878.db2.gz CRFRAMWTJUGQOC-CYBMUJFWSA-N 1 0 307.381 3.472 10 0 DGAERO CSCCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000171492306 659283845 /nfs/dbraw/zinc/28/38/45/659283845.db2.gz LBNSJEFLTZUDDO-UHFFFAOYSA-N 1 0 307.459 3.195 10 0 DGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC000171573389 659289205 /nfs/dbraw/zinc/28/92/05/659289205.db2.gz RCTWAOWLPWYPCJ-ZYHUDNBSSA-N 1 0 314.401 3.087 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]Cc2ccoc2)C1 ZINC000230161350 659315739 /nfs/dbraw/zinc/31/57/39/659315739.db2.gz SRTDLRAGTIYUKH-KRWDZBQOSA-N 1 0 308.422 3.406 10 0 DGAERO Fc1ccc(OC2CCN(Cn3cc[nH]c3=S)CC2)cc1 ZINC000173349532 659381233 /nfs/dbraw/zinc/38/12/33/659381233.db2.gz UNIVCSVHQQHJKQ-UHFFFAOYSA-N 1 0 307.394 3.186 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC000232008315 659408110 /nfs/dbraw/zinc/40/81/10/659408110.db2.gz DMBYIIMDXHTIEO-KRWDZBQOSA-N 1 0 318.461 3.466 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCC2CCCCCCC2)CC[N@@H+]1C ZINC000174183517 659418905 /nfs/dbraw/zinc/41/89/05/659418905.db2.gz XJALDDUDMFBFGE-WBVHZDCISA-N 1 0 309.498 3.471 10 0 DGAERO O[C@H](CNc1cc2ccccc2c(Cl)n1)C[NH+]1CCCCC1 ZINC000174686395 659499194 /nfs/dbraw/zinc/49/91/94/659499194.db2.gz FMMNTEZOICBVBS-CQSZACIVSA-N 1 0 319.836 3.147 10 0 DGAERO Clc1ccc(Cc2noc([C@@H]3CCC[NH2+]C3)n2)c(Cl)c1 ZINC000035347261 659613204 /nfs/dbraw/zinc/61/32/04/659613204.db2.gz VXXAEPPMMGIFQJ-SNVBAGLBSA-N 1 0 312.200 3.434 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000232824074 659654768 /nfs/dbraw/zinc/65/47/68/659654768.db2.gz QEMQBJKPVYHYOH-UKRRQHHQSA-N 1 0 304.459 3.118 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CCSc2ccccc21 ZINC000232827568 659677418 /nfs/dbraw/zinc/67/74/18/659677418.db2.gz QEMQBJKPVYHYOH-DZGCQCFKSA-N 1 0 304.459 3.118 10 0 DGAERO COC1(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCCCC1 ZINC000319744804 659689668 /nfs/dbraw/zinc/68/96/68/659689668.db2.gz WPQAYRKWCGCQBA-CQSZACIVSA-N 1 0 314.470 3.181 10 0 DGAERO [NH3+]CCCCCCC(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000238003363 659952949 /nfs/dbraw/zinc/95/29/49/659952949.db2.gz PYHUBQANMKBDHP-UHFFFAOYSA-N 1 0 320.824 3.373 10 0 DGAERO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000180205591 659956130 /nfs/dbraw/zinc/95/61/30/659956130.db2.gz LUUUKQSEDPXUPA-CYBMUJFWSA-N 1 0 312.417 3.086 10 0 DGAERO O[C@H](C[C@@H]1COCC[N@@H+]1CC1CCCCCC1)c1ccco1 ZINC000180721620 659968741 /nfs/dbraw/zinc/96/87/41/659968741.db2.gz OCTQMPRSRVUAJU-IAGOWNOFSA-N 1 0 307.434 3.374 10 0 DGAERO O=C(OCCCOC1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000181077038 659978836 /nfs/dbraw/zinc/97/88/36/659978836.db2.gz XOOWAXBTJIAYRU-UHFFFAOYSA-N 1 0 314.385 3.378 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C1CCN(CCc3ccccc3)CC1)CCC2 ZINC000353443941 659982599 /nfs/dbraw/zinc/98/25/99/659982599.db2.gz DZAXXCLTOCEKLV-LJQANCHMSA-N 1 0 324.472 3.084 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000181386628 659997530 /nfs/dbraw/zinc/99/75/30/659997530.db2.gz TYGXYRYUHYGMNX-RISCZKNCSA-N 1 0 306.793 3.128 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000069870431 660026860 /nfs/dbraw/zinc/02/68/60/660026860.db2.gz PXOWSMUWMGVLCG-RBUKOAKNSA-N 1 0 312.413 3.054 10 0 DGAERO C[C@@H]([NH2+]Cc1ccnc(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000182029184 660031182 /nfs/dbraw/zinc/03/11/82/660031182.db2.gz AJFMGMLJSZYBTD-GFCCVEGCSA-N 1 0 313.792 3.167 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000182610120 660067213 /nfs/dbraw/zinc/06/72/13/660067213.db2.gz VREVEWKYLJXDFH-UONOGXRCSA-N 1 0 311.491 3.315 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@]2(O)CCc3ccccc32)cc1 ZINC000182653234 660070360 /nfs/dbraw/zinc/07/03/60/660070360.db2.gz XJMPSOIRLVJGHB-MGPUTAFESA-N 1 0 311.425 3.222 10 0 DGAERO C#CCCOc1ccc(C[NH2+]Cc2ccc(Cl)cn2)cc1 ZINC000182686862 660072047 /nfs/dbraw/zinc/07/20/47/660072047.db2.gz LWEAVQKADYWYHQ-UHFFFAOYSA-N 1 0 300.789 3.427 10 0 DGAERO [NH3+]CCCCCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000155347881 661845361 /nfs/dbraw/zinc/84/53/61/661845361.db2.gz LZXQYYZGTXCIDN-INIZCTEOSA-N 1 0 316.445 3.458 10 0 DGAERO Cc1nc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)sc1C ZINC000043550678 661846062 /nfs/dbraw/zinc/84/60/62/661846062.db2.gz AGMZDCONHFBQEO-AWEZNQCLSA-N 1 0 318.446 3.184 10 0 DGAERO CC(C)c1csc([C@H]2CCCN(C(=O)CCCCC[NH3+])C2)n1 ZINC000155780133 661852199 /nfs/dbraw/zinc/85/21/99/661852199.db2.gz GXGXKQGMLHLSGD-AWEZNQCLSA-N 1 0 323.506 3.492 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCOc2ccccc21)c1ccccc1Cl ZINC000048331153 661889139 /nfs/dbraw/zinc/88/91/39/661889139.db2.gz UAHMLOUDWBEPNQ-CVEARBPZSA-N 1 0 303.789 3.487 10 0 DGAERO C[C@@](O)(CC[NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000189840804 661993234 /nfs/dbraw/zinc/99/32/34/661993234.db2.gz DLCRBQUQTPQAED-HXUWFJFHSA-N 1 0 321.424 3.464 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189883543 661994991 /nfs/dbraw/zinc/99/49/91/661994991.db2.gz DMSWBMVJTVDWQY-HNAYVOBHSA-N 1 0 307.397 3.257 10 0 DGAERO CCCCOC(=O)CC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189898570 661995929 /nfs/dbraw/zinc/99/59/29/661995929.db2.gz KYHGOJFICGSKPW-OAHLLOKOSA-N 1 0 315.417 3.256 10 0 DGAERO Cc1ccc2c(C[N@@H+](C(C)C)C3CCOCC3)cc(=O)oc2c1 ZINC000077323610 662021592 /nfs/dbraw/zinc/02/15/92/662021592.db2.gz NFGGLGNZCYVISF-UHFFFAOYSA-N 1 0 315.413 3.491 10 0 DGAERO Cc1noc(C)c1CCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000084734457 662203342 /nfs/dbraw/zinc/20/33/42/662203342.db2.gz VMXWUQBJLRZGLE-UHFFFAOYSA-N 1 0 300.406 3.268 10 0 DGAERO Cc1noc(C)c1CCCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000084734492 662203362 /nfs/dbraw/zinc/20/33/62/662203362.db2.gz FHAJMRSZXCCGDS-ZDUSSCGKSA-N 1 0 308.470 3.343 10 0 DGAERO COCC[C@H](COC)[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717942699 662211551 /nfs/dbraw/zinc/21/15/51/662211551.db2.gz INHOLVVWZRVDSP-NXEZZACHSA-N 1 0 311.369 3.469 10 0 DGAERO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(C(F)(F)F)s1 ZINC000717954986 662212824 /nfs/dbraw/zinc/21/28/24/662212824.db2.gz GZXFOULZMHIWED-LILOVNGRSA-N 1 0 311.394 3.329 10 0 DGAERO [NH3+]C1CC(Cc2nc(CSc3ccc(Cl)cc3)no2)C1 ZINC000718033820 662214828 /nfs/dbraw/zinc/21/48/28/662214828.db2.gz TZWSIVRJJYFWDZ-UHFFFAOYSA-N 1 0 309.822 3.295 10 0 DGAERO Cc1coc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000718031598 662214845 /nfs/dbraw/zinc/21/48/45/662214845.db2.gz SROIQUGOCUWUCI-UHFFFAOYSA-N 1 0 308.422 3.467 10 0 DGAERO Cc1ccc(-c2noc(CC3CC([NH3+])C3)n2)cc1Br ZINC000718137241 662231669 /nfs/dbraw/zinc/23/16/69/662231669.db2.gz JPJSBAXRWOYQOZ-UHFFFAOYSA-N 1 0 322.206 3.087 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000089629231 662246016 /nfs/dbraw/zinc/24/60/16/662246016.db2.gz ALHRXOGRMICBNH-ZIAGYGMSSA-N 1 0 303.512 3.394 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000246268931 662252341 /nfs/dbraw/zinc/25/23/41/662252341.db2.gz AKYZGIWXDJLFAT-ILXRZTDVSA-N 1 0 303.512 3.250 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C3OCCO3)cc2)CC1 ZINC000718328795 662252499 /nfs/dbraw/zinc/25/24/99/662252499.db2.gz KJCMMYKTJRQGSC-DLBZAZTESA-N 1 0 305.418 3.169 10 0 DGAERO NC(=O)CC1CC([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000718426030 662255046 /nfs/dbraw/zinc/25/50/46/662255046.db2.gz OUUOHNGDZSHXPO-UHFFFAOYSA-N 1 0 321.635 3.390 10 0 DGAERO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(Cl)cc1Cl ZINC000718424943 662255175 /nfs/dbraw/zinc/25/51/75/662255175.db2.gz BVJFQWZLDFGQNN-SILCLGDVSA-N 1 0 301.217 3.298 10 0 DGAERO CCC[N@H+](C[C@@H](O)c1c(F)cccc1F)C[C@@H]1CCCCO1 ZINC000246377383 662256775 /nfs/dbraw/zinc/25/67/75/662256775.db2.gz SFKOFICGHBOWAB-XJKSGUPXSA-N 1 0 313.388 3.279 10 0 DGAERO NC(=O)CC1CC([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000718516585 662257088 /nfs/dbraw/zinc/25/70/88/662257088.db2.gz RQVAFSPTKUHAEV-UHFFFAOYSA-N 1 0 324.424 3.009 10 0 DGAERO COCC(C)(C)CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000718711860 662260200 /nfs/dbraw/zinc/26/02/00/662260200.db2.gz XTGGSRUGSKYOMP-GOSISDBHSA-N 1 0 304.478 3.303 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC000718731176 662260980 /nfs/dbraw/zinc/26/09/80/662260980.db2.gz FTDZDLXJVLJPQV-RRFJBIMHSA-N 1 0 314.470 3.179 10 0 DGAERO CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000718731142 662261065 /nfs/dbraw/zinc/26/10/65/662261065.db2.gz FGNFNRKOIICSTO-KBPBESRZSA-N 1 0 314.470 3.227 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)c1ccccc1 ZINC000246604828 662266802 /nfs/dbraw/zinc/26/68/02/662266802.db2.gz JDGCDCOKVBFXQG-WOJBJXKFSA-N 1 0 310.441 3.471 10 0 DGAERO C[C@](O)(C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)c1ccccc1 ZINC000246604820 662266829 /nfs/dbraw/zinc/26/68/29/662266829.db2.gz JDGCDCOKVBFXQG-UXHICEINSA-N 1 0 310.441 3.471 10 0 DGAERO Cc1nc(CN[C@@H](C)C[N@H+](C)C(C)C)sc1Br ZINC000719220102 662271525 /nfs/dbraw/zinc/27/15/25/662271525.db2.gz TUBWSUDPDBIRDT-VIFPVBQESA-N 1 0 320.300 3.032 10 0 DGAERO Cc1nc(C[NH2+]CCCOCC(C)C)sc1Br ZINC000719221272 662271535 /nfs/dbraw/zinc/27/15/35/662271535.db2.gz KRSMRNOAJGXZJL-UHFFFAOYSA-N 1 0 321.284 3.366 10 0 DGAERO Cc1nc(C[NH2+]C[C@H]2CC(C)(C)CO2)sc1Br ZINC000719220255 662271558 /nfs/dbraw/zinc/27/15/58/662271558.db2.gz GVGXYJHESCLYKQ-SECBINFHSA-N 1 0 319.268 3.119 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)sc1Br ZINC000719233516 662271989 /nfs/dbraw/zinc/27/19/89/662271989.db2.gz YUVZSVRCQDJURZ-KXUCPTDWSA-N 1 0 301.253 3.492 10 0 DGAERO Cc1nc(C[NH2+]CCc2nccs2)sc1Br ZINC000719289623 662273181 /nfs/dbraw/zinc/27/31/81/662273181.db2.gz YDABBVYACPLIBG-UHFFFAOYSA-N 1 0 318.265 3.003 10 0 DGAERO CO[C@@H]1C[C@@H]([NH2+]Cc2nc(C)c(Br)s2)C1(C)C ZINC000719325436 662274118 /nfs/dbraw/zinc/27/41/18/662274118.db2.gz BMYDKFFWNRSEPV-RKDXNWHRSA-N 1 0 319.268 3.117 10 0 DGAERO C[NH+]=C(NCc1ccc(-c2ccccc2C#N)cc1)NC1CC1 ZINC000090988623 662288515 /nfs/dbraw/zinc/28/85/15/662288515.db2.gz VLMFPEKLSQDVST-UHFFFAOYSA-N 1 0 304.397 3.053 10 0 DGAERO Cc1ccc(C[NH2+]CCC2CC(O)C2)c(C)c1Br ZINC000719586760 662293365 /nfs/dbraw/zinc/29/33/65/662293365.db2.gz VMMVPSPPBYXRQT-UHFFFAOYSA-N 1 0 312.251 3.317 10 0 DGAERO O=C(C[C@H]1CCCO1)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246975085 662294278 /nfs/dbraw/zinc/29/42/78/662294278.db2.gz ZRQOTXSCWZXWJY-QZTJIDSGSA-N 1 0 317.429 3.011 10 0 DGAERO Cc1ccc(C[NH2+]CC2(CCO)CC2)c(C)c1Br ZINC000719616339 662294610 /nfs/dbraw/zinc/29/46/10/662294610.db2.gz ZDBRGCCCTUZTSD-UHFFFAOYSA-N 1 0 312.251 3.318 10 0 DGAERO Cc1ccc(C[NH2+]CC[C@@H](O)C(F)F)c(C)c1Br ZINC000719609688 662294626 /nfs/dbraw/zinc/29/46/26/662294626.db2.gz RJZBTVGTMVCGJO-LLVKDONJSA-N 1 0 322.193 3.172 10 0 DGAERO C[C@@H]1[C@H]([NH2+][C@@H]2CCc3sc(Br)cc32)CCN1C ZINC000719644805 662295158 /nfs/dbraw/zinc/29/51/58/662295158.db2.gz HWRQMGOKXHDEPB-FBIMIBRVSA-N 1 0 315.280 3.180 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1sccc1Br ZINC000719650436 662295585 /nfs/dbraw/zinc/29/55/85/662295585.db2.gz XNEQUIIVJCIOJO-ATZCPNFKSA-N 1 0 303.269 3.254 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccns1 ZINC000719908521 662299398 /nfs/dbraw/zinc/29/93/98/662299398.db2.gz QROLCGLRXNEEEZ-QAPCUYQASA-N 1 0 315.486 3.186 10 0 DGAERO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247193370 662302769 /nfs/dbraw/zinc/30/27/69/662302769.db2.gz BTRLZWZWEIPDGG-IAGOWNOFSA-N 1 0 319.445 3.306 10 0 DGAERO C[C@H](Cc1cccs1)[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720246047 662306241 /nfs/dbraw/zinc/30/62/41/662306241.db2.gz YXWFIIULIASUNU-MRVPVSSYSA-N 1 0 303.296 3.440 10 0 DGAERO C[NH+](C)C1CCN(Cc2ccc(CSC(F)F)o2)CC1 ZINC000091671424 662312637 /nfs/dbraw/zinc/31/26/37/662312637.db2.gz YATLRQIIQWRNNB-UHFFFAOYSA-N 1 0 304.406 3.261 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000248508439 662350899 /nfs/dbraw/zinc/35/08/99/662350899.db2.gz YDHHNJAPQLWITA-FZZIBODNSA-N 1 0 304.217 3.184 10 0 DGAERO Fc1ccc(SCc2noc(CC3CC[NH2+]CC3)n2)cc1 ZINC000093679662 662358063 /nfs/dbraw/zinc/35/80/63/662358063.db2.gz WHGLDGHURXFQPL-UHFFFAOYSA-N 1 0 307.394 3.043 10 0 DGAERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000093918524 662361395 /nfs/dbraw/zinc/36/13/95/662361395.db2.gz OMLFAVWBXAYQES-HUUCEWRRSA-N 1 0 324.399 3.281 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(OC)ccc1Br ZINC000716948764 685275917 /nfs/dbraw/zinc/27/59/17/685275917.db2.gz VZIQPFVZYOLZAF-CMPLNLGQSA-N 1 0 316.239 3.097 10 0 DGAERO Brc1ccoc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723974762 685276293 /nfs/dbraw/zinc/27/62/93/685276293.db2.gz BBHVWEWKIGONPR-RISCZKNCSA-N 1 0 314.223 3.337 10 0 DGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1C ZINC000227679161 685118380 /nfs/dbraw/zinc/11/83/80/685118380.db2.gz RTNKNJHOSCKFQA-NWDGAFQWSA-N 1 0 324.469 3.084 10 0 DGAERO Cc1ccc(F)c(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000379480508 685147897 /nfs/dbraw/zinc/14/78/97/685147897.db2.gz URTSXBBVPQJREO-CYBMUJFWSA-N 1 0 310.413 3.479 10 0 DGAERO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000379443349 685148199 /nfs/dbraw/zinc/14/81/99/685148199.db2.gz ROSOZBSCQDMDQQ-ZDUSSCGKSA-N 1 0 310.413 3.479 10 0 DGAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCCCC1 ZINC000379710438 685148576 /nfs/dbraw/zinc/14/85/76/685148576.db2.gz KQGKDPDXRMCHRY-SFHVURJKSA-N 1 0 315.461 3.237 10 0 DGAERO c1csc(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)n1 ZINC000379638700 685149207 /nfs/dbraw/zinc/14/92/07/685149207.db2.gz AJEGHLKKOFKRFI-MRXNPFEDSA-N 1 0 301.459 3.287 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000380960271 685154454 /nfs/dbraw/zinc/15/44/54/685154454.db2.gz WGNRDMNSIARXCN-GRDNDAEWSA-N 1 0 318.461 3.435 10 0 DGAERO Cc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cc1C ZINC000381752806 685159737 /nfs/dbraw/zinc/15/97/37/685159737.db2.gz BWXDAUNJUMUMOZ-SREVYHEPSA-N 1 0 304.434 3.474 10 0 DGAERO CC[C@@H](C[NH2+]C[C@]1(C)CCCS1)NC(=O)OC(C)(C)C ZINC000382014945 685161779 /nfs/dbraw/zinc/16/17/79/685161779.db2.gz NXPLHNAYMDPORM-WFASDCNBSA-N 1 0 302.484 3.165 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000382243049 685162695 /nfs/dbraw/zinc/16/26/95/685162695.db2.gz SCEXPUYJRDVBJJ-AWEZNQCLSA-N 1 0 323.437 3.171 10 0 DGAERO C[C@@H]1CSC[C@H]1[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000382075861 685162803 /nfs/dbraw/zinc/16/28/03/685162803.db2.gz UEGFXBNRUMFWFA-TZMCWYRMSA-N 1 0 314.495 3.117 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)o1 ZINC000382418007 685163613 /nfs/dbraw/zinc/16/36/13/685163613.db2.gz AUHLSXHPFPTZKA-SMDDNHRTSA-N 1 0 323.437 3.027 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC000383106539 685165789 /nfs/dbraw/zinc/16/57/89/685165789.db2.gz GVADFOJSCFYFLY-GFCCVEGCSA-N 1 0 304.381 3.021 10 0 DGAERO C[N@H+](CCC(=O)C(C)(C)C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000383305916 685166580 /nfs/dbraw/zinc/16/65/80/685166580.db2.gz FCGCOBPSJBYEFN-GOSISDBHSA-N 1 0 316.489 3.446 10 0 DGAERO C[N@H+](CCC(=O)C(C)(C)C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383305920 685166829 /nfs/dbraw/zinc/16/68/29/685166829.db2.gz FCGCOBPSJBYEFN-SFHVURJKSA-N 1 0 316.489 3.446 10 0 DGAERO Cc1cc(C)cc([C@H](O)C[N@H+](C)CCOCc2ccccc2)c1 ZINC000383773664 685168503 /nfs/dbraw/zinc/16/85/03/685168503.db2.gz RJTBQLJHXDHOLE-HXUWFJFHSA-N 1 0 313.441 3.485 10 0 DGAERO C[C@]1(C[NH2+]Cc2ncc(Br)s2)CCCS1 ZINC000389738847 685195193 /nfs/dbraw/zinc/19/51/93/685195193.db2.gz VFAMSNKDYVBUNK-SNVBAGLBSA-N 1 0 307.282 3.281 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000389823176 685196369 /nfs/dbraw/zinc/19/63/69/685196369.db2.gz MHDNPLWUZIMIFS-IBEHDNSVSA-N 1 0 308.466 3.410 10 0 DGAERO CC1(C)SC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000393857423 685219888 /nfs/dbraw/zinc/21/98/88/685219888.db2.gz WDTCGTFFOITCMC-NEPJUHHUSA-N 1 0 305.365 3.222 10 0 DGAERO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)[C@H](C)NC(=O)OC(C)(C)C ZINC000394610249 685222578 /nfs/dbraw/zinc/22/25/78/685222578.db2.gz MGQXSWHQHCZQAU-AGIUHOORSA-N 1 0 314.470 3.224 10 0 DGAERO C[C@@H]([NH2+]CCOC(F)F)c1ccc(F)c(Br)c1 ZINC000398130620 685234923 /nfs/dbraw/zinc/23/49/23/685234923.db2.gz NQNSCKXOKZILJJ-SSDOTTSWSA-N 1 0 312.129 3.478 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC1(F)F ZINC000398107413 685235652 /nfs/dbraw/zinc/23/56/52/685235652.db2.gz BYNXMFKTYCGCKJ-XQQFMLRXSA-N 1 0 318.408 3.457 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]CCOC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC000399218527 685240330 /nfs/dbraw/zinc/24/03/30/685240330.db2.gz JWORDGTZBVEZCJ-KGLIPLIRSA-N 1 0 314.470 3.179 10 0 DGAERO CCOc1cccc(C[NH2+]CCc2cccnc2)c1OC(F)F ZINC000128715846 1176042607 /nfs/dbraw/zinc/04/26/07/1176042607.db2.gz ADUTXXCRMQVAHO-UHFFFAOYSA-N 1 0 322.355 3.414 10 0 DGAERO CCOc1ccc(NC(=O)c2csc([C@H](C)N)n2)c(C)c1 ZINC000090949256 1176258477 /nfs/dbraw/zinc/25/84/77/1176258477.db2.gz XPGYAXKSFXUOSD-JTQLQIEISA-N 1 0 305.403 3.122 10 0 DGAERO CCCn1cncc1C[NH2+]C[C@H](C)COCc1ccccc1 ZINC000389933067 1176260274 /nfs/dbraw/zinc/26/02/74/1176260274.db2.gz JVNLVRATTHLOOE-INIZCTEOSA-N 1 0 301.434 3.236 10 0 DGAERO Cc1cc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(C#N)cn1 ZINC000399590855 1176497631 /nfs/dbraw/zinc/49/76/31/1176497631.db2.gz QQAGMHLUPHKBHQ-LJQANCHMSA-N 1 0 320.440 3.150 10 0 DGAERO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1cc(Br)cs1 ZINC000393916123 1176711458 /nfs/dbraw/zinc/71/14/58/1176711458.db2.gz ITZDQYBSWKCKBB-SKDRFNHKSA-N 1 0 303.269 3.035 10 0 DGAERO CC/C=C/C[NH2+]Cc1ccc(I)cc1 ZINC000395025252 1176777827 /nfs/dbraw/zinc/77/78/27/1176777827.db2.gz IWQHCHUGXXIICK-ONEGZZNKSA-N 1 0 301.171 3.347 10 0 DGAERO CCCn1cncc1C[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000379630498 1176800724 /nfs/dbraw/zinc/80/07/24/1176800724.db2.gz LDCPRFCLGFCNRR-UHFFFAOYSA-N 1 0 314.477 3.293 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC(O)CC1 ZINC000379682379 1176816529 /nfs/dbraw/zinc/81/65/29/1176816529.db2.gz XCJAPEGIAXNAEV-UHFFFAOYSA-N 1 0 304.478 3.038 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000397783851 1177011585 /nfs/dbraw/zinc/01/15/85/1177011585.db2.gz AFTDHATYTWCNNY-UHFFFAOYSA-N 1 0 314.376 3.359 10 0 DGAERO CC[C@H](COC)[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C ZINC000381933450 1177018213 /nfs/dbraw/zinc/01/82/13/1177018213.db2.gz SRFFPTAXPYARMJ-ZIAGYGMSSA-N 1 0 302.459 3.085 10 0 DGAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398711648 1177028456 /nfs/dbraw/zinc/02/84/56/1177028456.db2.gz VPUZOSZUIKGKCK-MELADBBJSA-N 1 0 302.459 3.492 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)[C@@H](C)O1 ZINC000384655099 1177119344 /nfs/dbraw/zinc/11/93/44/1177119344.db2.gz COOMMGCVWJZLBQ-WVATUKLVSA-N 1 0 324.262 3.462 10 0 DGAERO CC(C)[C@@H]1C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CCO1 ZINC000225591126 1177549330 /nfs/dbraw/zinc/54/93/30/1177549330.db2.gz SVCIDRIACWZHSB-CABCVRRESA-N 1 0 314.470 3.037 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085366561 1177712376 /nfs/dbraw/zinc/71/23/76/1177712376.db2.gz AMISVWHGBKXFHL-AAEUAGOBSA-N 1 0 315.244 3.469 10 0 DGAERO Cc1ccc(F)c(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000227286651 1177860640 /nfs/dbraw/zinc/86/06/40/1177860640.db2.gz QTOJLUJMHDMXCE-UHFFFAOYSA-N 1 0 310.413 3.481 10 0 DGAERO Nc1c(Cl)cc(Cl)cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000388246848 1178077555 /nfs/dbraw/zinc/07/75/55/1178077555.db2.gz GJAHITZSAITLQK-LBPRGKRZSA-N 1 0 303.233 3.313 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@H](C)CN2CCCC2=O)cc1Cl ZINC000066989051 1195577460 /nfs/dbraw/zinc/57/74/60/1195577460.db2.gz OQIRBBAVMAMCFN-CYBMUJFWSA-N 1 0 322.836 3.005 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C)cc1Cl ZINC000066973497 1195579591 /nfs/dbraw/zinc/57/95/91/1195579591.db2.gz AHKWRPURWZXKSX-MRXNPFEDSA-N 1 0 308.853 3.335 10 0 DGAERO C(=C/c1ccccc1)\C[NH2+]CCCc1nnc2n1CCCCC2 ZINC000066993895 1195584191 /nfs/dbraw/zinc/58/41/91/1195584191.db2.gz FJQKTWYRUICBSF-YRNVUSSQSA-N 1 0 310.445 3.240 10 0 DGAERO [NH3+]Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000071700237 1195981886 /nfs/dbraw/zinc/98/18/86/1195981886.db2.gz AQYZEHQRTGVSRG-UHFFFAOYSA-N 1 0 316.430 3.297 10 0 DGAERO COc1ccc(C[NH2+]CCCCNc2ccccn2)cc1F ZINC000078847508 1196803146 /nfs/dbraw/zinc/80/31/46/1196803146.db2.gz YAQCPDQJLGHMCA-UHFFFAOYSA-N 1 0 303.381 3.211 10 0 DGAERO C[C@@H](Cc1ccsc1)N(C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000081477454 1197224321 /nfs/dbraw/zinc/22/43/21/1197224321.db2.gz ITUKMUVOQNLFQX-CABCVRRESA-N 1 0 323.506 3.052 10 0 DGAERO c1[nH]nc2c1cccc2C[NH2+]CCOc1ccc2c(c1)CCC2 ZINC000084016850 1197457478 /nfs/dbraw/zinc/45/74/78/1197457478.db2.gz ZTCJZFRPHMYXTO-UHFFFAOYSA-N 1 0 307.397 3.220 10 0 DGAERO c1csc(SCCC[NH2+]Cc2cn3ccccc3n2)n1 ZINC000084044637 1197460204 /nfs/dbraw/zinc/46/02/04/1197460204.db2.gz GHOSRVQIVGOGLB-UHFFFAOYSA-N 1 0 304.444 3.063 10 0 DGAERO C[C@H]1C[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)CCO1 ZINC000388686606 1197698863 /nfs/dbraw/zinc/69/88/63/1197698863.db2.gz JCXOINQTFIYXPE-CMPLNLGQSA-N 1 0 316.214 3.493 10 0 DGAERO COCC1(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CCC1 ZINC000379620722 1197703196 /nfs/dbraw/zinc/70/31/96/1197703196.db2.gz DGDUXEWUXAFNCQ-IBGZPJMESA-N 1 0 316.489 3.447 10 0 DGAERO CCc1cc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc(C)n1 ZINC000379681927 1197704212 /nfs/dbraw/zinc/70/42/12/1197704212.db2.gz UWLSCQOQFCEZIN-IBGZPJMESA-N 1 0 324.472 3.236 10 0 DGAERO CC1(C)CCC(C[NH2+]CCn2cc(Br)cn2)CC1 ZINC000385236370 1197706994 /nfs/dbraw/zinc/70/69/94/1197706994.db2.gz JOUWUVMBOPIMIY-UHFFFAOYSA-N 1 0 314.271 3.452 10 0 DGAERO FC(F)CC[NH2+]Cc1cccc(I)c1 ZINC000389225418 1197710822 /nfs/dbraw/zinc/71/08/22/1197710822.db2.gz PUAUHEFOEWZMIX-UHFFFAOYSA-N 1 0 311.113 3.036 10 0 DGAERO c1ccc(COCCC[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000390238569 1197712844 /nfs/dbraw/zinc/71/28/44/1197712844.db2.gz MLQPKDSRIFZNLL-UHFFFAOYSA-N 1 0 313.397 3.154 10 0 DGAERO CC[C@@H](C)[C@H](C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)OC ZINC000394459036 1197721304 /nfs/dbraw/zinc/72/13/04/1197721304.db2.gz TUAUEFYXYKAWNA-KGLIPLIRSA-N 1 0 316.486 3.331 10 0 DGAERO CC(C)C[NH+]1CCC(C(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000096626231 1198986911 /nfs/dbraw/zinc/98/69/11/1198986911.db2.gz QOWUSAAWCHDLHR-UHFFFAOYSA-N 1 0 303.450 3.059 10 0 DGAERO CC[C@@H]1CCCC[C@H]1C[NH2+]CCn1cc(Br)cn1 ZINC000401509680 1199405919 /nfs/dbraw/zinc/40/59/19/1199405919.db2.gz VADBWUBLZPHSGT-OLZOCXBDSA-N 1 0 314.271 3.452 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CSC2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722678 1199416726 /nfs/dbraw/zinc/41/67/26/1199416726.db2.gz BXYGAWACXBPUOW-JHJVBQTASA-N 1 0 314.495 3.116 10 0 DGAERO Cc1ccoc1C[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722189 1199416767 /nfs/dbraw/zinc/41/67/67/1199416767.db2.gz JUKPCUIGXPCJQK-JSGCOSHPSA-N 1 0 308.422 3.323 10 0 DGAERO Cc1ccoc1C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722190 1199416788 /nfs/dbraw/zinc/41/67/88/1199416788.db2.gz JUKPCUIGXPCJQK-OCCSQVGLSA-N 1 0 308.422 3.323 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)o1 ZINC000401725111 1199417050 /nfs/dbraw/zinc/41/70/50/1199417050.db2.gz LDQKFRCQEBXBPU-JSGCOSHPSA-N 1 0 308.422 3.323 10 0 DGAERO CC(C)SCC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401811932 1199419529 /nfs/dbraw/zinc/41/95/29/1199419529.db2.gz GBSBRXJIUMBCKA-INIZCTEOSA-N 1 0 322.474 3.129 10 0 DGAERO CC(C)=CCC[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401896329 1199424116 /nfs/dbraw/zinc/42/41/16/1199424116.db2.gz XLTXNWOTPRLYOZ-QGZVFWFLSA-N 1 0 302.418 3.343 10 0 DGAERO CC(C)=CCC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401896328 1199424254 /nfs/dbraw/zinc/42/42/54/1199424254.db2.gz XLTXNWOTPRLYOZ-KRWDZBQOSA-N 1 0 302.418 3.343 10 0 DGAERO CC(C)[C@H]([NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000401950559 1199427443 /nfs/dbraw/zinc/42/74/43/1199427443.db2.gz LWULWNJQQMMKJK-ROUUACIJSA-N 1 0 316.445 3.422 10 0 DGAERO CC(C)CCOCC[NH2+]Cc1cc(O)ccc1Br ZINC000315311689 1199804815 /nfs/dbraw/zinc/80/48/15/1199804815.db2.gz ZXBVOTFVSDOYER-UHFFFAOYSA-N 1 0 316.239 3.307 10 0 DGAERO CC[N@@H+]1CCCN(Cc2cc(Br)cs2)[C@H](C)C1 ZINC000320755015 1199849090 /nfs/dbraw/zinc/84/90/90/1199849090.db2.gz WJXCQDZWKIRNPW-LLVKDONJSA-N 1 0 317.296 3.427 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1ccc(F)cc1Br ZINC000136207709 1201211062 /nfs/dbraw/zinc/21/10/62/1201211062.db2.gz IVUNNAFWTZIGFM-UHFFFAOYSA-N 1 0 318.230 3.477 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccc(I)cc1)C1CC1 ZINC000132851970 1201181332 /nfs/dbraw/zinc/18/13/32/1201181332.db2.gz WTWHOQDDIWNYED-JTQLQIEISA-N 1 0 315.198 3.427 10 0 DGAERO c1nc(C2CCCC2)sc1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000136152312 1201209615 /nfs/dbraw/zinc/20/96/15/1201209615.db2.gz RBTUVOFVOGVEEJ-AWEZNQCLSA-N 1 0 310.463 3.086 10 0 DGAERO Cn1nccc1CC[NH2+]CCCc1c(Cl)cccc1Cl ZINC000193314421 1201268509 /nfs/dbraw/zinc/26/85/09/1201268509.db2.gz WXJKQMBFQKQHDP-UHFFFAOYSA-N 1 0 312.244 3.492 10 0 DGAERO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 ZINC000193520066 1201281465 /nfs/dbraw/zinc/28/14/65/1201281465.db2.gz KUIKWVDJSKRAEY-UHFFFAOYSA-N 1 0 323.440 3.010 10 0 DGAERO C[C@@H](CNc1cccc(Br)n1)C[NH+]1CCCCC1 ZINC000229273937 1202517189 /nfs/dbraw/zinc/51/71/89/1202517189.db2.gz RBBFKXQMQRKXEP-LBPRGKRZSA-N 1 0 312.255 3.378 10 0 DGAERO CCOc1ccccc1C[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000222030938 1202568023 /nfs/dbraw/zinc/56/80/23/1202568023.db2.gz OPIBYILKTMGIAE-UHFFFAOYSA-N 1 0 322.449 3.432 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(Br)c1 ZINC000151090026 1202591235 /nfs/dbraw/zinc/59/12/35/1202591235.db2.gz JEWVJJAHSCADBI-BXKDBHETSA-N 1 0 315.186 3.044 10 0 DGAERO CCc1oc2ccccc2c1C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000155123724 1202598614 /nfs/dbraw/zinc/59/86/14/1202598614.db2.gz ZYMTTYHOIGTRNM-CHWSQXEVSA-N 1 0 300.402 3.160 10 0 DGAERO c1[nH]nc2cc(C[NH2+][C@H]3CCCN(Cc4ccccc4)C3)ccc12 ZINC000236597398 1202614251 /nfs/dbraw/zinc/61/42/51/1202614251.db2.gz FSKMIECEGBIPOK-IBGZPJMESA-N 1 0 320.440 3.317 10 0 DGAERO c1oc(-c2ccccc2)nc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000236728536 1202622545 /nfs/dbraw/zinc/62/25/45/1202622545.db2.gz ORUACBWLWOPSCO-QGZVFWFLSA-N 1 0 316.401 3.017 10 0 DGAERO CCOCCCC[NH2+]Cc1cc(Br)ccc1F ZINC000236839670 1202627975 /nfs/dbraw/zinc/62/79/75/1202627975.db2.gz CKZBCIXJNFSMMC-UHFFFAOYSA-N 1 0 304.203 3.495 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@H]2CCCN2CC)cc1Cl ZINC000236835744 1202628020 /nfs/dbraw/zinc/62/80/20/1202628020.db2.gz NJRVKDLEVKRZHM-OAHLLOKOSA-N 1 0 308.853 3.479 10 0 DGAERO C=CCOc1ccc(C[NH2+]CCN(CC)C2CC2)cc1Cl ZINC000236872979 1202631620 /nfs/dbraw/zinc/63/16/20/1202631620.db2.gz RFNIDKKJTJQXOO-UHFFFAOYSA-N 1 0 308.853 3.479 10 0 DGAERO CC(C)OC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000186075267 1202893520 /nfs/dbraw/zinc/89/35/20/1202893520.db2.gz IWTAEXNCOPUEST-OALUTQOASA-N 1 0 317.404 3.291 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1c(F)cc(Br)cc1F ZINC000188875899 1203233594 /nfs/dbraw/zinc/23/35/94/1203233594.db2.gz LAFOOTOKYUBQLR-QMMMGPOBSA-N 1 0 308.166 3.099 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000255390128 1203843970 /nfs/dbraw/zinc/84/39/70/1203843970.db2.gz CQTNTLHWQZTTRK-REZBVGGZSA-N 1 0 316.445 3.041 10 0 DGAERO O=C(Nc1ccc(Cl)nc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175505229 1203920096 /nfs/dbraw/zinc/92/00/96/1203920096.db2.gz JFXCNAWCJKSXQE-AWEZNQCLSA-N 1 0 322.840 3.121 10 0 DGAERO C[C@@H](Cc1ccsc1)[N@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000176441269 1203931077 /nfs/dbraw/zinc/93/10/77/1203931077.db2.gz UPXVQTOZWYGJSX-HNNXBMFYSA-N 1 0 316.470 3.270 10 0 DGAERO Cc1cnn(CCCCC[NH2+][C@@H](c2nc(C)no2)C(C)C)c1 ZINC000179883356 1204324648 /nfs/dbraw/zinc/32/46/48/1204324648.db2.gz MMLJNHHLHQQZCB-OAHLLOKOSA-N 1 0 305.426 3.040 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1cc2ccccc2o1 ZINC000262555261 1204324802 /nfs/dbraw/zinc/32/48/02/1204324802.db2.gz UBQLNUMGZQKDMR-WBMJQRKESA-N 1 0 300.402 3.388 10 0 DGAERO C[N@H+](CCNc1nc2cc(Br)ccc2o1)C1CC1 ZINC000705929343 1081822017 /nfs/dbraw/zinc/82/20/17/1081822017.db2.gz IALIKTRXBBCFFA-UHFFFAOYSA-N 1 0 310.195 3.096 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@H](CO)C2CCCCC2)cc1OC ZINC000072927533 1082065706 /nfs/dbraw/zinc/06/57/06/1082065706.db2.gz LTMSUHBSCTZBMD-QGZVFWFLSA-N 1 0 319.445 3.291 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)/C(C)=C\c1ccc(OC)c(F)c1 ZINC000588445063 1082290091 /nfs/dbraw/zinc/29/00/91/1082290091.db2.gz OYPQMRAFBYNPPR-YBEMTRGBSA-N 1 0 322.424 3.084 10 0 DGAERO C/C(=C/C(=O)N(C)CC1([NH+](C)C)CCC1)c1cccc(F)c1 ZINC000588545638 1082596174 /nfs/dbraw/zinc/59/61/74/1082596174.db2.gz AQIWGLVPZBFATQ-KAMYIIQDSA-N 1 0 304.409 3.172 10 0 DGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C\c1ncccc1C ZINC000588452057 1083168422 /nfs/dbraw/zinc/16/84/22/1083168422.db2.gz YAHJNCHZTRDHOD-KHPPLWFESA-N 1 0 317.477 3.230 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000155324392 1084774865 /nfs/dbraw/zinc/77/48/65/1084774865.db2.gz BLCROCOYQQLFDI-NEPJUHHUSA-N 1 0 300.374 3.457 10 0 DGAERO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cnsc1 ZINC000712850674 1085828775 /nfs/dbraw/zinc/82/87/75/1085828775.db2.gz DERCZTFCTOLHSJ-CYBMUJFWSA-N 1 0 313.467 3.172 10 0 DGAERO CCOC1CC([NH2+]CCc2sccc2Br)C1 ZINC000713094547 1085950244 /nfs/dbraw/zinc/95/02/44/1085950244.db2.gz RWBJTWISJDJJPD-UHFFFAOYSA-N 1 0 304.253 3.210 10 0 DGAERO CC(C)[NH+](CCNCc1ncc(Br)s1)C(C)C ZINC000713623874 1086543972 /nfs/dbraw/zinc/54/39/72/1086543972.db2.gz NSKMLBLWASXELG-UHFFFAOYSA-N 1 0 320.300 3.114 10 0 DGAERO Fc1ccc(CC[NH2+]Cc2ncc(Br)s2)cc1 ZINC000713715358 1086567110 /nfs/dbraw/zinc/56/71/10/1086567110.db2.gz RFJCNHZJMNBTHV-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO CC(C)(C[NH3+])C1CCN(C(=O)c2cscc2Cl)CC1 ZINC000714417686 1086840702 /nfs/dbraw/zinc/84/07/02/1086840702.db2.gz MXBJOJYNDNCFDP-UHFFFAOYSA-N 1 0 300.855 3.239 10 0 DGAERO CC(C)CC[NH+]1CCC(CNC(=O)CSC(C)(C)C)CC1 ZINC000176550170 1087952378 /nfs/dbraw/zinc/95/23/78/1087952378.db2.gz YYJHNYAIRKWWCO-UHFFFAOYSA-N 1 0 314.539 3.392 10 0 DGAERO CC1(CC[NH2+]Cc2cc(Cl)ccc2OC(F)F)OCCO1 ZINC000715965550 1091213039 /nfs/dbraw/zinc/21/30/39/1091213039.db2.gz GRYBNMRISHWLNB-UHFFFAOYSA-N 1 0 321.751 3.184 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3ccco3)CCC[C@H]12 ZINC000711617960 1091328853 /nfs/dbraw/zinc/32/88/53/1091328853.db2.gz RWJDJTXYCTYSEN-WMLDXEAASA-N 1 0 306.406 3.301 10 0 DGAERO CN1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000167105491 1093260354 /nfs/dbraw/zinc/26/03/54/1093260354.db2.gz PKCIAYVJBJLWHT-CYBMUJFWSA-N 1 0 304.331 3.418 10 0 DGAERO COC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000401450824 1093949450 /nfs/dbraw/zinc/94/94/50/1093949450.db2.gz ZPVJRWDKDGVVKL-CYBMUJFWSA-N 1 0 314.470 3.179 10 0 DGAERO CCN(CCC[NH2+][C@@H]1CCCc2n[nH]cc21)C(=O)OC(C)(C)C ZINC000401547480 1093954894 /nfs/dbraw/zinc/95/48/94/1093954894.db2.gz MTGQDAVBCRGROR-CQSZACIVSA-N 1 0 322.453 3.024 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000401666357 1093963233 /nfs/dbraw/zinc/96/32/33/1093963233.db2.gz HUFPEEKZOALHOK-BBRMVZONSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000401666829 1093963353 /nfs/dbraw/zinc/96/33/53/1093963353.db2.gz IHGZTUJPQSKATL-KFWWJZLASA-N 1 0 319.449 3.378 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS2)CN(C(=O)OC(C)(C)C)C1 ZINC000401722879 1093968200 /nfs/dbraw/zinc/96/82/00/1093968200.db2.gz JYUBJVDEZGKLJC-MGPQQGTHSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2)CN(C(=O)OC(C)(C)C)C1 ZINC000401722876 1093968600 /nfs/dbraw/zinc/96/86/00/1093968600.db2.gz JYUBJVDEZGKLJC-MCIONIFRSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403572258 1094142712 /nfs/dbraw/zinc/14/27/12/1094142712.db2.gz MZXBJIHQNPTBIU-FUDCBSFHSA-N 1 0 314.495 3.163 10 0 DGAERO c1ccc2c(c1)CCN2CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403734265 1094173012 /nfs/dbraw/zinc/17/30/12/1094173012.db2.gz IOWWBCZKBYEQSG-ALOPSCKCSA-N 1 0 302.487 3.455 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1 ZINC000404421386 1094257695 /nfs/dbraw/zinc/25/76/95/1094257695.db2.gz CXTNVSQMJNDUHK-UHFFFAOYSA-N 1 0 311.451 3.022 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccoc2)C12CCC2 ZINC000404478844 1094258368 /nfs/dbraw/zinc/25/83/68/1094258368.db2.gz AGQMKINOUXKYTI-ZIAGYGMSSA-N 1 0 306.406 3.205 10 0 DGAERO COC[C@H](C)[NH2+]Cc1ccccc1CN(C)C(=O)OC(C)(C)C ZINC000404598375 1094262174 /nfs/dbraw/zinc/26/21/74/1094262174.db2.gz GCLMYUUQTGAUKQ-AWEZNQCLSA-N 1 0 322.449 3.178 10 0 DGAERO COc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c(F)c1 ZINC000404616817 1094262450 /nfs/dbraw/zinc/26/24/50/1094262450.db2.gz KKRLPQMWLQTYCR-AATRIKPKSA-N 1 0 324.396 3.005 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C12CCC2 ZINC000404764804 1094268351 /nfs/dbraw/zinc/26/83/51/1094268351.db2.gz VEWSMPPOUVZPJX-CABCVRRESA-N 1 0 317.433 3.007 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000405925461 1094456763 /nfs/dbraw/zinc/45/67/63/1094456763.db2.gz JCMVJQZNFRUENB-CYBMUJFWSA-N 1 0 322.453 3.070 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCCC(F)(F)F ZINC000232504175 1095982751 /nfs/dbraw/zinc/98/27/51/1095982751.db2.gz OTBHNGXOSCREJU-NSHDSACASA-N 1 0 310.360 3.318 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)o1 ZINC000721847821 1098064226 /nfs/dbraw/zinc/06/42/26/1098064226.db2.gz LAUMHRJWUKMYQM-CQSZACIVSA-N 1 0 308.422 3.323 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000721939205 1098191150 /nfs/dbraw/zinc/19/11/50/1098191150.db2.gz KBQRHVAHFAWVAN-IOASZLSFSA-N 1 0 314.495 3.117 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000150951887 1099378445 /nfs/dbraw/zinc/37/84/45/1099378445.db2.gz FCBGLTLLGLCNBL-ZYHUDNBSSA-N 1 0 311.223 3.214 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CO1 ZINC000722501903 1100297779 /nfs/dbraw/zinc/29/77/79/1100297779.db2.gz IEEYDEFLRLMRGV-ILXRZTDVSA-N 1 0 310.438 3.096 10 0 DGAERO COC(=O)/C(C)=C/C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000717969821 1104471670 /nfs/dbraw/zinc/47/16/70/1104471670.db2.gz HXSABFZCWDEDBA-KPJVXMDVSA-N 1 0 317.429 3.079 10 0 DGAERO CCCCNC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719880956 1105029183 /nfs/dbraw/zinc/02/91/83/1105029183.db2.gz XFGPKDNUTXRIQP-SFHVURJKSA-N 1 0 317.477 3.483 10 0 DGAERO Cc1ncc(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000379641877 1108033264 /nfs/dbraw/zinc/03/32/64/1108033264.db2.gz YPYKXSDZEXRPKI-CQSZACIVSA-N 1 0 303.475 3.452 10 0 DGAERO [NH3+][C@@H]1CC[C@H](CNC(=O)CCSc2ccc(Cl)cc2)C1 ZINC000700277134 1108797461 /nfs/dbraw/zinc/79/74/61/1108797461.db2.gz FNLHVYCMAUCMMC-WCQYABFASA-N 1 0 312.866 3.066 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1(C)C ZINC000701951393 1109005718 /nfs/dbraw/zinc/00/57/18/1109005718.db2.gz NQOPDNYZVWKZEJ-QJPTWQEYSA-N 1 0 318.408 3.313 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000090227937 282102864 /nfs/dbraw/zinc/10/28/64/282102864.db2.gz QLVONLPLIHBHQC-ZWKOTPCHSA-N 1 0 310.445 3.341 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000300417115 546435596 /nfs/dbraw/zinc/43/55/96/546435596.db2.gz NJLHUJZQXVJABL-ZJUUUORDSA-N 1 0 323.289 3.426 10 0 DGAERO O=C(c1ccccc1C(F)(F)F)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604887 432002437 /nfs/dbraw/zinc/00/24/37/432002437.db2.gz JJHRQHFNWIOOIA-UHFFFAOYSA-N 1 0 312.335 3.016 10 0 DGAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000081899009 192335353 /nfs/dbraw/zinc/33/53/53/192335353.db2.gz QBQHGFGNTZIMGT-RKDXNWHRSA-N 1 0 310.246 3.077 10 0 DGAERO c1ccc(C[N@H+]2CCCC[C@@H]2CNc2nnc(C3CC3)o2)cc1 ZINC000278487314 214186351 /nfs/dbraw/zinc/18/63/51/214186351.db2.gz VYGBCXZFKHNTCF-MRXNPFEDSA-N 1 0 312.417 3.414 10 0 DGAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000278595138 214262851 /nfs/dbraw/zinc/26/28/51/214262851.db2.gz ZFGUNJARFVWAFC-JCKWVBRZSA-N 1 0 315.417 3.241 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCO[C@]4(CCOC4)C3)cc2)cs1 ZINC000278714623 214348205 /nfs/dbraw/zinc/34/82/05/214348205.db2.gz KIZOUZCHZUHINE-GOSISDBHSA-N 1 0 315.438 3.406 10 0 DGAERO CCC[NH2+]Cc1sc(COc2ccccc2)nc1COC ZINC000082445507 185183548 /nfs/dbraw/zinc/18/35/48/185183548.db2.gz FSJMYJPHMAQYHA-UHFFFAOYSA-N 1 0 306.431 3.368 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000310754367 231114170 /nfs/dbraw/zinc/11/41/70/231114170.db2.gz WNHUBKARYAQSOQ-VXGBXAGGSA-N 1 0 316.214 3.229 10 0 DGAERO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000310506070 231114802 /nfs/dbraw/zinc/11/48/02/231114802.db2.gz SPQMFJFYINNVNL-VHSXEESVSA-N 1 0 322.268 3.213 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000310754365 231115239 /nfs/dbraw/zinc/11/52/39/231115239.db2.gz WNHUBKARYAQSOQ-NWDGAFQWSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H]1CCc2c(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)csc2C1 ZINC000262096443 290644704 /nfs/dbraw/zinc/64/47/04/290644704.db2.gz UUQPNCVKXWPDRU-NHYWBVRUSA-N 1 0 306.475 3.072 10 0 DGAERO c1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccncc2)cc1 ZINC000322353294 231209456 /nfs/dbraw/zinc/20/94/56/231209456.db2.gz GAXZXNFEWAGJIF-UFYCRDLUSA-N 1 0 307.441 3.387 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(Cl)c2cccnc12)[S@@](C)=O ZINC000129327812 432004394 /nfs/dbraw/zinc/00/43/94/432004394.db2.gz KUPMNVHLNQOKKC-GIPWTMENSA-N 1 0 310.850 3.135 10 0 DGAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000328626034 231257768 /nfs/dbraw/zinc/25/77/68/231257768.db2.gz DSWHUNOVYKGCOK-ZFWWWQNUSA-N 1 0 323.799 3.223 10 0 DGAERO CCc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)oc1CC ZINC000162346677 529510730 /nfs/dbraw/zinc/51/07/30/529510730.db2.gz SMBJLJTUQHVNGS-DZGCQCFKSA-N 1 0 306.450 3.207 10 0 DGAERO CCc1ccccc1CC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000444597079 529575308 /nfs/dbraw/zinc/57/53/08/529575308.db2.gz QWXPFKDQYRZFGA-UHFFFAOYSA-N 1 0 314.473 3.126 10 0 DGAERO c1ccc(-c2noc(CCC[N@@H+]3CCCSCC3)n2)cc1 ZINC000089985897 185274779 /nfs/dbraw/zinc/27/47/79/185274779.db2.gz JTDVZOIJJABUQR-UHFFFAOYSA-N 1 0 303.431 3.108 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccc(Br)s1)[S@](C)=O ZINC000090513595 185300008 /nfs/dbraw/zinc/30/00/08/185300008.db2.gz UKWIYHQMFWZSDF-YNEJBJPTSA-N 1 0 324.309 3.318 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000090419320 185295353 /nfs/dbraw/zinc/29/53/53/185295353.db2.gz BPNRMKMQKJJFMD-ZYHUDNBSSA-N 1 0 322.865 3.429 10 0 DGAERO CN(C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cccc(F)c1 ZINC000245936580 282249513 /nfs/dbraw/zinc/24/95/13/282249513.db2.gz UBCMGPKEKLWBGC-BRSBDYLESA-N 1 0 320.452 3.222 10 0 DGAERO CCCn1c2ccccc2nc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092616059 185329496 /nfs/dbraw/zinc/32/94/96/185329496.db2.gz MKUDUUZTRNDXDR-MRXNPFEDSA-N 1 0 312.461 3.116 10 0 DGAERO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000092733977 185337009 /nfs/dbraw/zinc/33/70/09/185337009.db2.gz UGPBKPTWPSOLCF-KRWDZBQOSA-N 1 0 318.461 3.050 10 0 DGAERO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788491 185341403 /nfs/dbraw/zinc/34/14/03/185341403.db2.gz RIBGXLOEVGYMJY-NSHDSACASA-N 1 0 324.881 3.472 10 0 DGAERO CN1C(=O)C[C@H]([NH2+]Cc2ccsc2)[C@@H]1c1ccc(Cl)cc1 ZINC000092849317 185346156 /nfs/dbraw/zinc/34/61/56/185346156.db2.gz REBCDEPHWPUXGO-HOCLYGCPSA-N 1 0 320.845 3.463 10 0 DGAERO C[C@H]1CCC[C@H](C[NH+]2CCC(N(C)c3cccnn3)CC2)C1 ZINC000092796274 185342258 /nfs/dbraw/zinc/34/22/58/185342258.db2.gz ZYSVFBSOFFDFSZ-HOTGVXAUSA-N 1 0 302.466 3.204 10 0 DGAERO CCN(CC)c1ncc(C[NH+]2CCC(c3cc[nH]n3)CC2)s1 ZINC000092810644 185342820 /nfs/dbraw/zinc/34/28/20/185342820.db2.gz FYKSMTUIEGZKON-UHFFFAOYSA-N 1 0 319.478 3.092 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)OCc1ccccc1 ZINC000181486199 199304968 /nfs/dbraw/zinc/30/49/68/199304968.db2.gz GXCLUPCDOIFGPI-QGZVFWFLSA-N 1 0 313.401 3.070 10 0 DGAERO CN1CC[C@@H](C[NH2+][C@H]2CCc3ccccc3C2)[C@@H]1c1cccnc1 ZINC000328627433 529794257 /nfs/dbraw/zinc/79/42/57/529794257.db2.gz GDELRTFOLXBCOU-ACRUOGEOSA-N 1 0 321.468 3.222 10 0 DGAERO C[N@H+](C[C@@H](O)COCc1ccccc1)C1CCC(F)(F)CC1 ZINC000286658916 219108582 /nfs/dbraw/zinc/10/85/82/219108582.db2.gz ANEJZVYIVGINTM-MRXNPFEDSA-N 1 0 313.388 3.074 10 0 DGAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000181656070 199333896 /nfs/dbraw/zinc/33/38/96/199333896.db2.gz KOJLTIQCQYYDKG-JLDZCNIISA-N 1 0 322.518 3.195 10 0 DGAERO CC(C)[N@H+]1C[C@H](Nc2nnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000129797676 432008917 /nfs/dbraw/zinc/00/89/17/432008917.db2.gz XSFJDYWFJKMSEQ-JSGCOSHPSA-N 1 0 302.447 3.346 10 0 DGAERO C[N@H+](CCOc1ccccc1F)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435124250 529927976 /nfs/dbraw/zinc/92/79/76/529927976.db2.gz NFOJJYQKGWUEMQ-UHFFFAOYSA-N 1 0 315.348 3.320 10 0 DGAERO CC(C)[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644378 432009362 /nfs/dbraw/zinc/00/93/62/432009362.db2.gz BIBYRNAGOVUGES-LSDHHAIUSA-N 1 0 323.506 3.304 10 0 DGAERO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCCC12CCC2 ZINC000444777328 529973930 /nfs/dbraw/zinc/97/39/30/529973930.db2.gz FJORZGOWLYPWKO-UHFFFAOYSA-N 1 0 324.827 3.456 10 0 DGAERO C[NH2+][C@@H](C)c1cc(Br)ccc1OC[C@@H]1CCOC1 ZINC000052067164 190681261 /nfs/dbraw/zinc/68/12/61/190681261.db2.gz STAPWYJQRAJRHA-WDEREUQCSA-N 1 0 314.223 3.145 10 0 DGAERO CC(C)CC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000129958208 432011510 /nfs/dbraw/zinc/01/15/10/432011510.db2.gz CTBLTYKSIKFZTE-CVEARBPZSA-N 1 0 309.498 3.327 10 0 DGAERO Cc1ccc(C)c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107529102 185482924 /nfs/dbraw/zinc/48/29/24/185482924.db2.gz HKFSLSBPYBFYJM-KRWDZBQOSA-N 1 0 300.446 3.394 10 0 DGAERO C[C@H]([NH2+]Cc1ccnc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000181737697 199345154 /nfs/dbraw/zinc/34/51/54/199345154.db2.gz NBGXGZWXNZZRGR-NSHDSACASA-N 1 0 304.777 3.357 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc2cc(Cl)ccc2o1 ZINC000181781037 199351904 /nfs/dbraw/zinc/35/19/04/199351904.db2.gz CIHLYHSZPBTTDZ-GWCFXTLKSA-N 1 0 306.793 3.358 10 0 DGAERO CC(C)c1nnc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)n1C ZINC000181796978 199353470 /nfs/dbraw/zinc/35/34/70/199353470.db2.gz BTCVREXDUCRFGR-CQSZACIVSA-N 1 0 300.450 3.394 10 0 DGAERO CC(C)OCCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000181806281 199354469 /nfs/dbraw/zinc/35/44/69/199354469.db2.gz KAFLRCURIJHJSS-UHFFFAOYSA-N 1 0 318.461 3.104 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)s1 ZINC000230167231 201868451 /nfs/dbraw/zinc/86/84/51/201868451.db2.gz UCXSWELZOIYGPL-ZDUSSCGKSA-N 1 0 310.463 3.403 10 0 DGAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234276464 201902897 /nfs/dbraw/zinc/90/28/97/201902897.db2.gz NHLIFGOXFKONFN-CQSZACIVSA-N 1 0 312.816 3.216 10 0 DGAERO O=C(Nc1ccccc1OCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000066152612 432013966 /nfs/dbraw/zinc/01/39/66/432013966.db2.gz CXLCVIXJGURFDU-INIZCTEOSA-N 1 0 310.397 3.204 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3C)CCO2)n1 ZINC000130058384 432014017 /nfs/dbraw/zinc/01/40/17/432014017.db2.gz XHGNCKNXVVXNJP-ROUUACIJSA-N 1 0 313.445 3.270 10 0 DGAERO CCn1cnnc1C1CC[NH+](CCCc2ccc(C)cc2)CC1 ZINC000181855044 199362822 /nfs/dbraw/zinc/36/28/22/199362822.db2.gz RPHGSXWANDLISU-UHFFFAOYSA-N 1 0 312.461 3.419 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000104149714 432014704 /nfs/dbraw/zinc/01/47/04/432014704.db2.gz RAFLKLSGZHHTMP-AWEZNQCLSA-N 1 0 320.824 3.040 10 0 DGAERO C[C@@H]([NH2+]Cc1cccs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279667251 215046120 /nfs/dbraw/zinc/04/61/20/215046120.db2.gz FFFMBZZVOOFDCR-CHWSQXEVSA-N 1 0 310.463 3.483 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000083428641 192371026 /nfs/dbraw/zinc/37/10/26/192371026.db2.gz RGFPUQQVPKFOKV-LLVKDONJSA-N 1 0 320.311 3.110 10 0 DGAERO OCc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1F ZINC000181991052 199372261 /nfs/dbraw/zinc/37/22/61/199372261.db2.gz UHJHYOBPMTWRQS-QGZVFWFLSA-N 1 0 319.351 3.461 10 0 DGAERO C[C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)[C@@H]1C[NH3+] ZINC000070177659 190867755 /nfs/dbraw/zinc/86/77/55/190867755.db2.gz YAPTZHXAHRLXCF-BXUZGUMPSA-N 1 0 317.260 3.431 10 0 DGAERO Cc1ccc(N2CCC[N@@H+]([C@@H]3CCCc4ccccc43)CC2)nn1 ZINC000106072171 432020890 /nfs/dbraw/zinc/02/08/90/432020890.db2.gz HPEDEGDIZJRSQV-LJQANCHMSA-N 1 0 322.456 3.375 10 0 DGAERO C[C@H](Cc1cccc(F)c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000070885928 190921955 /nfs/dbraw/zinc/92/19/55/190921955.db2.gz YRHIHGWEJSAIQK-OAHLLOKOSA-N 1 0 318.436 3.091 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@H](O)COc2c(C)cccc2C)o1 ZINC000046342451 545681279 /nfs/dbraw/zinc/68/12/79/545681279.db2.gz DHWXIRFJXMKTOA-INIZCTEOSA-N 1 0 303.402 3.077 10 0 DGAERO CCCC[N@H+](CCO)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084071137 192398502 /nfs/dbraw/zinc/39/85/02/192398502.db2.gz GQWSKANNYDDUQU-UHFFFAOYSA-N 1 0 310.463 3.055 10 0 DGAERO CN(C)C(=O)Sc1cccc(C[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000084074387 192399919 /nfs/dbraw/zinc/39/99/19/192399919.db2.gz DJLZHALSIVTOQI-AWEZNQCLSA-N 1 0 308.447 3.071 10 0 DGAERO CSCCCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000133716858 186009597 /nfs/dbraw/zinc/00/95/97/186009597.db2.gz GSQRPLCSKRMXHD-WBVHZDCISA-N 1 0 307.507 3.025 10 0 DGAERO Cc1ccc(O)c(-c2cc(NC3CC[NH2+]CC3)nc3[nH]ccc32)c1 ZINC000072134394 191046316 /nfs/dbraw/zinc/04/63/16/191046316.db2.gz DYJHSHJXHJJYPF-UHFFFAOYSA-N 1 0 322.412 3.408 10 0 DGAERO CCCCN(Cc1ccccc1F)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236739051 201987169 /nfs/dbraw/zinc/98/71/69/201987169.db2.gz JBYCTWHSXFOPNS-GOEBONIOSA-N 1 0 306.425 3.472 10 0 DGAERO CCC[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000140128445 186025630 /nfs/dbraw/zinc/02/56/30/186025630.db2.gz LUERLDZCUPUNRH-SFHVURJKSA-N 1 0 315.461 3.408 10 0 DGAERO Clc1ccc(C[NH2+][C@@H]2CCCOC2)c(Br)c1 ZINC000149780707 186052999 /nfs/dbraw/zinc/05/29/99/186052999.db2.gz OYMQMUNNANDAGH-LLVKDONJSA-N 1 0 304.615 3.371 10 0 DGAERO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000152504083 186080359 /nfs/dbraw/zinc/08/03/59/186080359.db2.gz IOSHQWXPJBTJPU-ZFWWWQNUSA-N 1 0 322.449 3.103 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1)c1ccco1 ZINC000067003717 432024953 /nfs/dbraw/zinc/02/49/53/432024953.db2.gz QOOULQCAYCVSLI-OAHLLOKOSA-N 1 0 301.390 3.484 10 0 DGAERO Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(F)c1 ZINC000171503539 186169715 /nfs/dbraw/zinc/16/97/15/186169715.db2.gz YGSREXICCUTXPN-CQSZACIVSA-N 1 0 305.397 3.226 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000164268995 186153619 /nfs/dbraw/zinc/15/36/19/186153619.db2.gz VOZAXUSULWUZAZ-KOLCDFICSA-N 1 0 304.253 3.151 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000164262187 186154026 /nfs/dbraw/zinc/15/40/26/186154026.db2.gz ANUQWNNBCNNMQC-JOYOIKCWSA-N 1 0 304.253 3.151 10 0 DGAERO NC(=O)N1CCC([NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000164400204 186158874 /nfs/dbraw/zinc/15/88/74/186158874.db2.gz DZWIQRWLEDVIPU-KRWDZBQOSA-N 1 0 319.424 3.190 10 0 DGAERO CC(C)[C@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480298 186166264 /nfs/dbraw/zinc/16/62/64/186166264.db2.gz SCUXHPLROXYSAW-MSOLQXFVSA-N 1 0 300.446 3.123 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000130476775 432025468 /nfs/dbraw/zinc/02/54/68/432025468.db2.gz AUPWXTGEWWLWTR-UHFFFAOYSA-N 1 0 318.461 3.020 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccccc2Cl)C1 ZINC000187987966 186240004 /nfs/dbraw/zinc/24/00/04/186240004.db2.gz HRXXPSLLLJXOHP-CXAGYDPISA-N 1 0 324.852 3.152 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1 ZINC000189988955 186259445 /nfs/dbraw/zinc/25/94/45/186259445.db2.gz FABZQAOTLMEPQA-UHFFFAOYSA-N 1 0 322.474 3.196 10 0 DGAERO Cc1sc(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c(C)c1C ZINC000188029406 186246344 /nfs/dbraw/zinc/24/63/44/186246344.db2.gz IJDMPMSFFOFDAP-GTNSWQLSSA-N 1 0 324.490 3.095 10 0 DGAERO C[C@H](CSc1ccccc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237443129 186289830 /nfs/dbraw/zinc/28/98/30/186289830.db2.gz RXZNEEGIRQKGRK-JZWPEALZSA-N 1 0 318.486 3.156 10 0 DGAERO Cc1ccc(C[C@H](C)N(C)C(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000237502204 186298630 /nfs/dbraw/zinc/29/86/30/186298630.db2.gz DJCOWQREDCXVID-SJORKVTESA-N 1 0 316.489 3.410 10 0 DGAERO c1ccc(N2CC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000271942966 186411682 /nfs/dbraw/zinc/41/16/82/186411682.db2.gz PCGGLOWQLLCQED-KANFNMMFSA-N 1 0 312.457 3.203 10 0 DGAERO CCCCNC(=O)[C@H](C)N(C)Cc1ccc(F)cc1Cl ZINC000107062967 432026433 /nfs/dbraw/zinc/02/64/33/432026433.db2.gz QQMRBUPPFZXICD-NSHDSACASA-N 1 0 300.805 3.216 10 0 DGAERO C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1F ZINC000130541465 432026656 /nfs/dbraw/zinc/02/66/56/432026656.db2.gz PMBGYLFJEAJNJL-NFOMZHRRSA-N 1 0 306.425 3.166 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000130513480 432026812 /nfs/dbraw/zinc/02/68/12/432026812.db2.gz APKQHXGNZPMFCZ-PBHICJAKSA-N 1 0 315.413 3.396 10 0 DGAERO CCCOc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000171891166 198001619 /nfs/dbraw/zinc/00/16/19/198001619.db2.gz AYIWFKONJBAUFH-OAHLLOKOSA-N 1 0 317.433 3.096 10 0 DGAERO CCCOc1cc(C)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171890611 198002148 /nfs/dbraw/zinc/00/21/48/198002148.db2.gz WGKPATIYLLAIRE-OAHLLOKOSA-N 1 0 317.433 3.096 10 0 DGAERO C[C@@H](CC(=O)N1CCCC[C@@H]1c1nccs1)C1CC[NH2+]CC1 ZINC000167106030 295825811 /nfs/dbraw/zinc/82/58/11/295825811.db2.gz ODNGYWDPZRNLLY-DZGCQCFKSA-N 1 0 321.490 3.223 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)CC2 ZINC000171981273 198020048 /nfs/dbraw/zinc/02/00/48/198020048.db2.gz XJVKDRRYHUKDPA-WCQYABFASA-N 1 0 320.387 3.345 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(Cl)s1 ZINC000172060223 198033031 /nfs/dbraw/zinc/03/30/31/198033031.db2.gz CEZNKKKFDOIPDV-ONYUAGEFSA-N 1 0 310.850 3.110 10 0 DGAERO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000172170651 198051503 /nfs/dbraw/zinc/05/15/03/198051503.db2.gz OGGOGVZQQQKXEE-STQMWFEESA-N 1 0 320.433 3.199 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000172289004 198071692 /nfs/dbraw/zinc/07/16/92/198071692.db2.gz OSELKDUHECSOOF-GOSISDBHSA-N 1 0 310.445 3.166 10 0 DGAERO Cc1csc(Nc2cc([C@@H]3CCCC[N@H+]3C)nc(C)n2)n1 ZINC000072382620 191143236 /nfs/dbraw/zinc/14/32/36/191143236.db2.gz IRPLSNAQLZWUJI-ZDUSSCGKSA-N 1 0 303.435 3.450 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@@H](C)O1 ZINC000384736288 323629390 /nfs/dbraw/zinc/62/93/90/323629390.db2.gz KQBNOEUQWJXMQD-KKFJDGPESA-N 1 0 302.187 3.244 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C(F)F)c2)[C@H](C)C1 ZINC000172608253 198122857 /nfs/dbraw/zinc/12/28/57/198122857.db2.gz WBLSFABNWPHNIY-DOMZBBRYSA-N 1 0 310.388 3.427 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C(\C)c2cccc(F)c2)[C@H](C)C1 ZINC000172612192 198123489 /nfs/dbraw/zinc/12/34/89/198123489.db2.gz UXLFMRUDCCNGHP-RELGSGGGSA-N 1 0 318.436 3.418 10 0 DGAERO Cc1ccc(CC(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)s1 ZINC000067205540 432028082 /nfs/dbraw/zinc/02/80/82/432028082.db2.gz MHHCDCZUECEHKH-OAHLLOKOSA-N 1 0 314.454 3.119 10 0 DGAERO C[C@@H](CNC(=O)c1cccc2ncccc21)[NH+]1CCC(C)CC1 ZINC000067271534 432028699 /nfs/dbraw/zinc/02/86/99/432028699.db2.gz NXURVTAQIXJMNR-HNNXBMFYSA-N 1 0 311.429 3.085 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000173244502 198200545 /nfs/dbraw/zinc/20/05/45/198200545.db2.gz VNJOLMZYEYXNPU-IRXDYDNUSA-N 1 0 317.477 3.429 10 0 DGAERO CCOC[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3n2CC)C1 ZINC000072976426 191260115 /nfs/dbraw/zinc/26/01/15/191260115.db2.gz YPBIOFXUGWSOBA-CQSZACIVSA-N 1 0 319.424 3.444 10 0 DGAERO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(Cl)c1 ZINC000173387441 198209336 /nfs/dbraw/zinc/20/93/36/198209336.db2.gz QYJXDOQUKYEQHT-XJKSGUPXSA-N 1 0 319.836 3.057 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(C)c(OCC(F)F)c1)[NH+](C)C ZINC000131139237 432032680 /nfs/dbraw/zinc/03/26/80/432032680.db2.gz QHVYOXIVLWOSCW-ZDUSSCGKSA-N 1 0 314.376 3.308 10 0 DGAERO CC[NH+](CC)CCNC(=O)Nc1cc(F)ccc1OC(C)C ZINC000067573596 432033065 /nfs/dbraw/zinc/03/30/65/432033065.db2.gz MKVXFVVQGJXFLT-UHFFFAOYSA-N 1 0 311.401 3.076 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC(C)(C)C2)C1 ZINC000131087231 432033076 /nfs/dbraw/zinc/03/30/76/432033076.db2.gz PLCYKAWBZACPNM-MRXNPFEDSA-N 1 0 309.498 3.186 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174379781 198327670 /nfs/dbraw/zinc/32/76/70/198327670.db2.gz BUCDDXZORDZSLZ-MSOLQXFVSA-N 1 0 319.445 3.308 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccccc2Cl)CC[N@@H+]1C ZINC000174398571 198330101 /nfs/dbraw/zinc/33/01/01/198330101.db2.gz SHICATJZRIIMIN-ZFWWWQNUSA-N 1 0 323.868 3.007 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1c[nH]c2ccccc12 ZINC000174536670 198349179 /nfs/dbraw/zinc/34/91/79/198349179.db2.gz TYANPTBWHVXYIW-MRXNPFEDSA-N 1 0 313.445 3.043 10 0 DGAERO O=C(c1cccc2ncccc21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174556334 198351609 /nfs/dbraw/zinc/35/16/09/198351609.db2.gz LPHDMSHWRYJJHE-MRXNPFEDSA-N 1 0 323.440 3.183 10 0 DGAERO CSc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174732717 198377614 /nfs/dbraw/zinc/37/76/14/198377614.db2.gz KBVMQJLVJCCCHJ-TZMCWYRMSA-N 1 0 307.463 3.355 10 0 DGAERO Cc1nc2ccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2o1 ZINC000174810117 198389079 /nfs/dbraw/zinc/38/90/79/198389079.db2.gz BBLYADXDMGCNDC-BXUZGUMPSA-N 1 0 316.405 3.083 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000107591090 432034885 /nfs/dbraw/zinc/03/48/85/432034885.db2.gz QHOWBFKVWWWZRE-LZQZEXGQSA-N 1 0 308.425 3.106 10 0 DGAERO c1cn(-c2ccc(CN3CCCC[C@H]([NH+]4CCCC4)C3)cc2)cn1 ZINC000107697241 432037103 /nfs/dbraw/zinc/03/71/03/432037103.db2.gz WUMYMMQNWLHFDR-FQEVSTJZSA-N 1 0 324.472 3.323 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000163649599 432037317 /nfs/dbraw/zinc/03/73/17/432037317.db2.gz XAMSDVZUXXVJOK-CQSZACIVSA-N 1 0 320.396 3.311 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000236770365 202000505 /nfs/dbraw/zinc/00/05/05/202000505.db2.gz SGIAAABMIHVJCI-MRXNPFEDSA-N 1 0 302.462 3.417 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000236781852 202006078 /nfs/dbraw/zinc/00/60/78/202006078.db2.gz KFNFVVXRTHWKFB-CZUORRHYSA-N 1 0 304.434 3.140 10 0 DGAERO COc1ccc(OC)c(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107697230 432038135 /nfs/dbraw/zinc/03/81/35/432038135.db2.gz AHCUHLZCLIGELV-KRWDZBQOSA-N 1 0 318.461 3.154 10 0 DGAERO [NH3+]C[C@@H]1Cc2c(c(-c3ccc(C(F)(F)F)cn3)ccc2F)O1 ZINC000067804785 432040582 /nfs/dbraw/zinc/04/05/82/432040582.db2.gz ADOXCZJUNQWZSC-VIFPVBQESA-N 1 0 312.266 3.169 10 0 DGAERO CCCN(C(=O)[C@H]1C[C@H]1c1ccccc1C)C1CC[NH2+]CC1 ZINC000236824853 283037680 /nfs/dbraw/zinc/03/76/80/283037680.db2.gz RHQRXEFCXHJKKS-ROUUACIJSA-N 1 0 300.446 3.089 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](CCN(C)c2ccccc2)C1 ZINC000131504099 432041171 /nfs/dbraw/zinc/04/11/71/432041171.db2.gz CDMKZYFHMFOPBS-GOSISDBHSA-N 1 0 312.461 3.219 10 0 DGAERO CCOc1cc(C[N@H+](C)C[C@@H](C)COC)ccc1OC(F)F ZINC000131916179 432041697 /nfs/dbraw/zinc/04/16/97/432041697.db2.gz SMDWZMHPQZVFKB-GFCCVEGCSA-N 1 0 317.376 3.401 10 0 DGAERO CCC[C@@H](C(=O)N(C)Cc1cc(Cl)ccc1OC)[NH+](C)C ZINC000179119193 432042588 /nfs/dbraw/zinc/04/25/88/432042588.db2.gz GVOWUHXQQSNSGN-AWEZNQCLSA-N 1 0 312.841 3.037 10 0 DGAERO Fc1ccc2c(c1)[C@@H]([NH+]1CCC(n3cncn3)CC1)CCC2 ZINC000132037920 432044641 /nfs/dbraw/zinc/04/46/41/432044641.db2.gz HSHCYCPEKHCQGY-KRWDZBQOSA-N 1 0 300.381 3.132 10 0 DGAERO CCC(CC)c1cc(CNC(=O)NC[C@H](C)[NH+](CC)CC)on1 ZINC000073654626 191336656 /nfs/dbraw/zinc/33/66/56/191336656.db2.gz SNOJZECXXKPRLE-ZDUSSCGKSA-N 1 0 324.469 3.108 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000073654887 191336944 /nfs/dbraw/zinc/33/69/44/191336944.db2.gz NIDFPCBMNHODCC-GDBMZVCRSA-N 1 0 304.434 3.422 10 0 DGAERO [NH3+][C@H]1CCN(c2nc(Cl)nc3c4ccccc4sc32)C1 ZINC000073736338 191348959 /nfs/dbraw/zinc/34/89/59/191348959.db2.gz ZOJRVTIKGIXFBR-QMMMGPOBSA-N 1 0 304.806 3.035 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)SCC[NH+](C)C ZINC000179170063 432047591 /nfs/dbraw/zinc/04/75/91/432047591.db2.gz IQLMRYBDEBADCN-HNNXBMFYSA-N 1 0 308.491 3.107 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1csc(C2CC2)n1 ZINC000179201838 432049752 /nfs/dbraw/zinc/04/97/52/432049752.db2.gz BUUPIHDVUFZXKK-QEJZJMRPSA-N 1 0 320.458 3.327 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1csc(C2CC2)n1 ZINC000179201854 432050137 /nfs/dbraw/zinc/05/01/37/432050137.db2.gz BUUPIHDVUFZXKK-SNPRPXQTSA-N 1 0 320.458 3.327 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000164626588 432050306 /nfs/dbraw/zinc/05/03/06/432050306.db2.gz JIZXJHSHDNGMGJ-WFASDCNBSA-N 1 0 309.841 3.499 10 0 DGAERO c1ccc(N2CC[NH+](C[C@H]3CCc4ccccc4N3)CC2)cc1 ZINC000005162420 181211881 /nfs/dbraw/zinc/21/18/81/181211881.db2.gz MFVCIOLUKKPQLX-GOSISDBHSA-N 1 0 307.441 3.236 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000132565832 432051017 /nfs/dbraw/zinc/05/10/17/432051017.db2.gz XVFPAFRQMLGZAN-BPQIPLTHSA-N 1 0 315.461 3.262 10 0 DGAERO Cc1nc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(C)s1 ZINC000179211678 432050956 /nfs/dbraw/zinc/05/09/56/432050956.db2.gz GYPNFCSSJIEAPK-NSHDSACASA-N 1 0 309.479 3.000 10 0 DGAERO CCC[C@H](C(=O)N1CCC(c2ccccc2C)CC1)[NH+](C)C ZINC000179232660 432051497 /nfs/dbraw/zinc/05/14/97/432051497.db2.gz DEPXOEPXRMYDDR-GOSISDBHSA-N 1 0 302.462 3.431 10 0 DGAERO CCCC[C@@H](COC)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000132803881 432053413 /nfs/dbraw/zinc/05/34/13/432053413.db2.gz LCAXKFGTKVTBDY-KRWDZBQOSA-N 1 0 319.493 3.446 10 0 DGAERO C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000080715985 192185126 /nfs/dbraw/zinc/18/51/26/192185126.db2.gz OYWSQZUJOJEVIV-MIGBEJBISA-N 1 0 300.446 3.312 10 0 DGAERO CSc1ccc(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000080718602 192186070 /nfs/dbraw/zinc/18/60/70/192186070.db2.gz QNAFOKQTVVBYPD-GOOCMWNKSA-N 1 0 318.486 3.462 10 0 DGAERO COc1cc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)ccc1F ZINC000179407003 432057733 /nfs/dbraw/zinc/05/77/33/432057733.db2.gz JZEXTHREJQOYPG-LLVKDONJSA-N 1 0 307.340 3.317 10 0 DGAERO CCN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CCCC1 ZINC000179469707 432059161 /nfs/dbraw/zinc/05/91/61/432059161.db2.gz JCOWRECZSLEHHT-ZWKOTPCHSA-N 1 0 315.461 3.406 10 0 DGAERO COc1cccc([C@@H](C)[NH+]2CCC(c3nc(C)no3)CC2)c1 ZINC000081667239 192309610 /nfs/dbraw/zinc/30/96/10/192309610.db2.gz ACFKESGLAGGVEB-GFCCVEGCSA-N 1 0 301.390 3.327 10 0 DGAERO CCS[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000236897117 202059335 /nfs/dbraw/zinc/05/93/35/202059335.db2.gz RWCCOUKSIFCSPO-QMHWVQJVSA-N 1 0 310.507 3.088 10 0 DGAERO CCc1csc([C@H]2CCCN(C(=O)C(CC)(CC)C[NH3+])C2)n1 ZINC000237018781 202123661 /nfs/dbraw/zinc/12/36/61/202123661.db2.gz FGCMYRWVTVSZFJ-ZDUSSCGKSA-N 1 0 323.506 3.177 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000237025526 202126831 /nfs/dbraw/zinc/12/68/31/202126831.db2.gz YSEWGFAIBVSDPM-IAQYHMDHSA-N 1 0 304.390 3.040 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)COc1ccc(CC)cc1 ZINC000237048593 202134726 /nfs/dbraw/zinc/13/47/26/202134726.db2.gz WUYHMZKPIHXVGW-UHFFFAOYSA-N 1 0 312.413 3.376 10 0 DGAERO Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c(C)s1 ZINC000166475492 432061077 /nfs/dbraw/zinc/06/10/77/432061077.db2.gz AMSUOVZBRSNYPF-HIFRSBDPSA-N 1 0 318.490 3.418 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1cc(C(C)=O)cs1 ZINC000237086533 202148247 /nfs/dbraw/zinc/14/82/47/202148247.db2.gz MSQCIGXGSOEGAI-UHFFFAOYSA-N 1 0 302.399 3.313 10 0 DGAERO Cc1ccc(-c2ncc(CN3CC[N@@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000179550834 432062113 /nfs/dbraw/zinc/06/21/13/432062113.db2.gz VAPSQCRTOLABCB-MRXNPFEDSA-N 1 0 313.470 3.399 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(Nc3ccccc3)nc2)C1 ZINC000166785334 432063189 /nfs/dbraw/zinc/06/31/89/432063189.db2.gz KYUFFXAWNVQSJQ-UONOGXRCSA-N 1 0 310.401 3.281 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000237184062 202181107 /nfs/dbraw/zinc/18/11/07/202181107.db2.gz ULHOOPSGDQLFPF-MLGOLLRUSA-N 1 0 316.376 3.102 10 0 DGAERO C[C@@H](CC(=O)N1CCCC[C@H]1c1nccs1)C1CC[NH2+]CC1 ZINC000167106216 432063508 /nfs/dbraw/zinc/06/35/08/432063508.db2.gz ODNGYWDPZRNLLY-ZFWWWQNUSA-N 1 0 321.490 3.223 10 0 DGAERO Brc1cncc(C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000166890049 432062584 /nfs/dbraw/zinc/06/25/84/432062584.db2.gz WPJIRPWAEDRBCL-MRXNPFEDSA-N 1 0 317.230 3.491 10 0 DGAERO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(Cl)cc1F ZINC000133521526 432065325 /nfs/dbraw/zinc/06/53/25/432065325.db2.gz PFYMFVDDFHOGOA-NHYWBVRUSA-N 1 0 312.816 3.246 10 0 DGAERO COCCOc1ccc(C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000179647034 432065396 /nfs/dbraw/zinc/06/53/96/432065396.db2.gz CVUBNOCNFSTEKC-UHFFFAOYSA-N 1 0 303.377 3.483 10 0 DGAERO COc1ccc([C@H](C)NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000237243695 202201294 /nfs/dbraw/zinc/20/12/94/202201294.db2.gz FXNMWNCQUXRDPP-VNHYZAJKSA-N 1 0 322.424 3.037 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1cnn(C)c1 ZINC000167463370 432065846 /nfs/dbraw/zinc/06/58/46/432065846.db2.gz DQQFZQBZWKLZQS-BBRMVZONSA-N 1 0 320.387 3.018 10 0 DGAERO CN1C[C@H]([NH2+][C@@H](c2ccccc2F)C2CCCC2)CCC1=O ZINC000091344138 283244865 /nfs/dbraw/zinc/24/48/65/283244865.db2.gz RNVGMZOHZGAQFM-RDTXWAMCSA-N 1 0 304.409 3.267 10 0 DGAERO CCC(CC)n1nc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1C ZINC000179702137 432068682 /nfs/dbraw/zinc/06/86/82/432068682.db2.gz JCFNBBUUQACFDF-MRXNPFEDSA-N 1 0 320.481 3.109 10 0 DGAERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1nccs1 ZINC000179741705 432069092 /nfs/dbraw/zinc/06/90/92/432069092.db2.gz IJPGHSPUDRGZTK-LBPRGKRZSA-N 1 0 318.446 3.184 10 0 DGAERO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000179753120 432070314 /nfs/dbraw/zinc/07/03/14/432070314.db2.gz UBBUWIFKRHHWLS-GDBMZVCRSA-N 1 0 309.450 3.302 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000179834263 432071678 /nfs/dbraw/zinc/07/16/78/432071678.db2.gz QXXRAOGMISXSDR-CRAIPNDOSA-N 1 0 324.428 3.178 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2cc(F)cc3c2OCOC3)s1 ZINC000179479654 199043219 /nfs/dbraw/zinc/04/32/19/199043219.db2.gz UZCCWTCVXRDNIZ-UHFFFAOYSA-N 1 0 322.405 3.132 10 0 DGAERO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)cc1 ZINC000179533602 199051219 /nfs/dbraw/zinc/05/12/19/199051219.db2.gz NELQOTUKOHEYIC-GOEBONIOSA-N 1 0 309.450 3.300 10 0 DGAERO Cc1cc(C)n2c(C[N@@H+](C)[C@H]3CCc4ccccc43)cnc2n1 ZINC000179907337 432073841 /nfs/dbraw/zinc/07/38/41/432073841.db2.gz NFBNWXJJZLBFIZ-SFHVURJKSA-N 1 0 306.413 3.465 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCOCC1 ZINC000179871180 199090061 /nfs/dbraw/zinc/09/00/61/199090061.db2.gz BPLVLXXISWQVHY-MLGOLLRUSA-N 1 0 322.836 3.238 10 0 DGAERO CN(C)C1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCOCC1 ZINC000180111567 199118391 /nfs/dbraw/zinc/11/83/91/199118391.db2.gz VLCVRRJGQRALCB-KRWDZBQOSA-N 1 0 322.880 3.492 10 0 DGAERO CCCCC[C@@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185269803 199832982 /nfs/dbraw/zinc/83/29/82/199832982.db2.gz OATAXUJUOWGBBR-CQSZACIVSA-N 1 0 309.429 3.116 10 0 DGAERO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180487895 199165292 /nfs/dbraw/zinc/16/52/92/199165292.db2.gz IBFGPCKGPBRSIA-GDBMZVCRSA-N 1 0 308.491 3.168 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000180501172 199167858 /nfs/dbraw/zinc/16/78/58/199167858.db2.gz VNZXVIJRLXMZNT-KBPBESRZSA-N 1 0 314.433 3.076 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(-c2ccncc2)c1 ZINC000180597511 199182508 /nfs/dbraw/zinc/18/25/08/199182508.db2.gz GPLGQEQABYZEFQ-KBXCAEBGSA-N 1 0 319.412 3.006 10 0 DGAERO Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ncnn3C1)CCS2 ZINC000180602029 199183395 /nfs/dbraw/zinc/18/33/95/199183395.db2.gz GNQHBAMAYNSIOE-DGCLKSJQSA-N 1 0 320.849 3.073 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(F)c(Cl)c1 ZINC000180742101 199203609 /nfs/dbraw/zinc/20/36/09/199203609.db2.gz LDIGZWZINVJVQB-CMPLNLGQSA-N 1 0 303.805 3.306 10 0 DGAERO CCCc1cnc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000180825390 199214422 /nfs/dbraw/zinc/21/44/22/199214422.db2.gz UUSFSTPIPXMJBN-NEPJUHHUSA-N 1 0 310.467 3.042 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCCCn2cccn2)cc1OC ZINC000180872377 199221706 /nfs/dbraw/zinc/22/17/06/199221706.db2.gz WBGKNYWXJBSRAE-HNNXBMFYSA-N 1 0 317.433 3.421 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C1CCCC1 ZINC000181055655 199245729 /nfs/dbraw/zinc/24/57/29/199245729.db2.gz HBKSTQQQGBJLIC-HNNXBMFYSA-N 1 0 303.450 3.091 10 0 DGAERO COc1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)ccc1O ZINC000180144110 432079050 /nfs/dbraw/zinc/07/90/50/432079050.db2.gz JKZFYZIJXNDUHV-INIZCTEOSA-N 1 0 312.413 3.159 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1C ZINC000180124957 432079440 /nfs/dbraw/zinc/07/94/40/432079440.db2.gz AZEUFRPTQHZTOQ-GOSISDBHSA-N 1 0 313.445 3.482 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C12CCOCC2 ZINC000186195875 199926850 /nfs/dbraw/zinc/92/68/50/199926850.db2.gz QAGJCJOZDCUXJX-CVEARBPZSA-N 1 0 309.837 3.404 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cccc(N2CCCC2=O)c1 ZINC000180252990 432082234 /nfs/dbraw/zinc/08/22/34/432082234.db2.gz VOQLRHURDXSNRH-CRAIPNDOSA-N 1 0 316.445 3.423 10 0 DGAERO c1nc(C2CCC2)sc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415060888 237044903 /nfs/dbraw/zinc/04/49/03/237044903.db2.gz ZFAKHVHPZBAPLG-ZBFHGGJFSA-N 1 0 305.491 3.375 10 0 DGAERO C[C@@H](NC(=O)NC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180299554 432083330 /nfs/dbraw/zinc/08/33/30/432083330.db2.gz PFFNEYBOERYBRJ-HUUCEWRRSA-N 1 0 307.482 3.271 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1C ZINC000089733461 192852041 /nfs/dbraw/zinc/85/20/41/192852041.db2.gz QYKQYIPDJXRKTJ-IAGOWNOFSA-N 1 0 310.445 3.413 10 0 DGAERO Cc1ccc2nc(C3CC3)cc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)c2c1 ZINC000186858867 200023081 /nfs/dbraw/zinc/02/30/81/200023081.db2.gz ICCCVHKBRGQAOA-YJYMSZOUSA-N 1 0 323.440 3.148 10 0 DGAERO Cc1ccc(-c2ccsc2C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000186880387 200026357 /nfs/dbraw/zinc/02/63/57/200026357.db2.gz OZYACCMTWRCZRK-BBRMVZONSA-N 1 0 314.454 3.451 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000186877555 200026405 /nfs/dbraw/zinc/02/64/05/200026405.db2.gz MTOFXOYEXNIMPX-IINYFYTJSA-N 1 0 315.244 3.040 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc2ccccc21 ZINC000170863141 432084646 /nfs/dbraw/zinc/08/46/46/432084646.db2.gz MVNMUZKQDDIRPR-ZBFHGGJFSA-N 1 0 311.429 3.246 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc2ccccc21 ZINC000170863137 432084757 /nfs/dbraw/zinc/08/47/57/432084757.db2.gz MVNMUZKQDDIRPR-HOCLYGCPSA-N 1 0 311.429 3.246 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000170863602 432084915 /nfs/dbraw/zinc/08/49/15/432084915.db2.gz KLGFEVXMZGKHKY-IBGZPJMESA-N 1 0 308.425 3.059 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000187818060 200161484 /nfs/dbraw/zinc/16/14/84/200161484.db2.gz SEDHCTLNQSZTNV-HNNXBMFYSA-N 1 0 324.428 3.153 10 0 DGAERO CC(C)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(O)c(C(C)C)c1 ZINC000170859822 432085070 /nfs/dbraw/zinc/08/50/70/432085070.db2.gz LKWFRHVUBZPORV-OAHLLOKOSA-N 1 0 318.461 3.415 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000170858244 432084933 /nfs/dbraw/zinc/08/49/33/432084933.db2.gz UTIROMUZQBPKJQ-OAHLLOKOSA-N 1 0 310.397 3.255 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnn1C)CCCS2 ZINC000187757653 200153642 /nfs/dbraw/zinc/15/36/42/200153642.db2.gz KRDQAWXFGHQHLK-HNNXBMFYSA-N 1 0 303.431 3.146 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000187759886 200153741 /nfs/dbraw/zinc/15/37/41/200153741.db2.gz VYULLBZZCHWHSY-SJLPKXTDSA-N 1 0 310.445 3.100 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187774172 200154907 /nfs/dbraw/zinc/15/49/07/200154907.db2.gz QYATVQVPXXYUDG-YOEHRIQHSA-N 1 0 316.424 3.102 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000188051347 200186638 /nfs/dbraw/zinc/18/66/38/200186638.db2.gz PBUSPMUYDIDTLR-KBPBESRZSA-N 1 0 322.399 3.011 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237634424 202312012 /nfs/dbraw/zinc/31/20/12/202312012.db2.gz ZXPHEAJMGIUJRG-BZSNNMDCSA-N 1 0 300.446 3.122 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000237756526 202346993 /nfs/dbraw/zinc/34/69/93/202346993.db2.gz VKIJVHJTZBQQGB-DOMZBBRYSA-N 1 0 324.827 3.231 10 0 DGAERO O=C(C[C@@H]1CCCN1CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000134846929 432087269 /nfs/dbraw/zinc/08/72/69/432087269.db2.gz JBALBGXQNSXHKV-SFHVURJKSA-N 1 0 318.436 3.349 10 0 DGAERO [NH3+]Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)cc1 ZINC000237963637 202406021 /nfs/dbraw/zinc/40/60/21/202406021.db2.gz HWLPULXWBZQAFG-UHFFFAOYSA-N 1 0 312.388 3.136 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1 ZINC000189038923 200340007 /nfs/dbraw/zinc/34/00/07/200340007.db2.gz BUMOHWDETPKOCX-KBXCAEBGSA-N 1 0 312.388 3.277 10 0 DGAERO C[C@@H](CCC1CC1)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189048896 200341574 /nfs/dbraw/zinc/34/15/74/200341574.db2.gz REYJZDPRFTYQMS-GUYCJALGSA-N 1 0 304.409 3.095 10 0 DGAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCCc2ccc(C)cc2)C1 ZINC000189314472 200380130 /nfs/dbraw/zinc/38/01/30/200380130.db2.gz IITQWCHJOWYZCK-DLBZAZTESA-N 1 0 315.417 3.081 10 0 DGAERO CN(C)C(=O)C1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000189566742 200422568 /nfs/dbraw/zinc/42/25/68/200422568.db2.gz VXQBTTXWCVAAFQ-QUCCMNQESA-N 1 0 314.473 3.297 10 0 DGAERO c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449677802 240364259 /nfs/dbraw/zinc/36/42/59/240364259.db2.gz CMKPREYSDBEZPC-LJQANCHMSA-N 1 0 301.430 3.478 10 0 DGAERO C[C@@H](O)[C@](C)(C[NH2+]Cc1ccc2c[nH]nc2c1)Cc1ccccc1 ZINC000191721971 200750726 /nfs/dbraw/zinc/75/07/26/200750726.db2.gz NCIVHEAQJVTBOS-QRWLVFNGSA-N 1 0 323.440 3.282 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000180618618 432093526 /nfs/dbraw/zinc/09/35/26/432093526.db2.gz DDDAGKIZSAKSGQ-KBXCAEBGSA-N 1 0 324.472 3.385 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(F)c2C)[C@@H](C)C1 ZINC000246089511 432093730 /nfs/dbraw/zinc/09/37/30/432093730.db2.gz UYJGVKPGMGNZHN-LRDDRELGSA-N 1 0 307.413 3.328 10 0 DGAERO COc1ccccc1OCC[NH+]1CCC(OCC(C)C)CC1 ZINC000054341961 283613556 /nfs/dbraw/zinc/61/35/56/283613556.db2.gz CHVADGYLXIPYAR-UHFFFAOYSA-N 1 0 307.434 3.211 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC23CCC3)C1 ZINC000435610060 238324815 /nfs/dbraw/zinc/32/48/15/238324815.db2.gz FUZSQIORKMYEIK-HOTGVXAUSA-N 1 0 307.482 3.083 10 0 DGAERO C[C@H]([NH2+]CCOCC(F)(F)F)c1cccc(-n2ccnc2)c1 ZINC000180657110 432094548 /nfs/dbraw/zinc/09/45/48/432094548.db2.gz XHCTULUGSPJXSH-LBPRGKRZSA-N 1 0 313.323 3.102 10 0 DGAERO Cc1ccc([C@@H](C[NH2+][C@@H](C)C2CCC2)N2CCOCC2)s1 ZINC000180659022 432094818 /nfs/dbraw/zinc/09/48/18/432094818.db2.gz RXRAXDSUZBFKGJ-GOEBONIOSA-N 1 0 308.491 3.208 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)CC2 ZINC000180650454 432094997 /nfs/dbraw/zinc/09/49/97/432094997.db2.gz HHMUCMOBFSARED-IAQYHMDHSA-N 1 0 320.387 3.345 10 0 DGAERO C[NH2+]CC(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000193136676 200997897 /nfs/dbraw/zinc/99/78/97/200997897.db2.gz CBBVQETVYHIWHU-AZUAARDMSA-N 1 0 308.425 3.183 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C)cc2C)o1 ZINC000193601491 201083748 /nfs/dbraw/zinc/08/37/48/201083748.db2.gz OFDPMSZHHUZVGF-JKSUJKDBSA-N 1 0 303.402 3.295 10 0 DGAERO C[C@@](O)(CC[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000189846765 432096778 /nfs/dbraw/zinc/09/67/78/432096778.db2.gz SANUQPUBMFRVBB-HXUWFJFHSA-N 1 0 321.424 3.464 10 0 DGAERO c1cn(C[C@@H]2CCC[N@H+]2CCSCc2ccccc2)cn1 ZINC000193918650 201144419 /nfs/dbraw/zinc/14/44/19/201144419.db2.gz WNOLLSCOMXVREH-KRWDZBQOSA-N 1 0 301.459 3.281 10 0 DGAERO C[C@@H](CNC(=O)Nc1ccc2cc[nH]c2c1)[NH+]1CCC(C)CC1 ZINC000194347513 201207824 /nfs/dbraw/zinc/20/78/24/201207824.db2.gz YSONUSAUBSRHMY-AWEZNQCLSA-N 1 0 314.433 3.410 10 0 DGAERO Cc1cc(C(=O)N(CC[NH3+])Cc2ccccc2)c2ccccc2n1 ZINC000194184672 201192978 /nfs/dbraw/zinc/19/29/78/201192978.db2.gz ZLYLJFVXXFWCEY-UHFFFAOYSA-N 1 0 319.408 3.144 10 0 DGAERO CC[C@@H](CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246108474 432097479 /nfs/dbraw/zinc/09/74/79/432097479.db2.gz IZNXEUWNINROQW-WMZOPIPTSA-N 1 0 300.446 3.267 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2cnc(-c3ccco3)s2)CC[N@@H+]1C ZINC000194412850 201220822 /nfs/dbraw/zinc/22/08/22/201220822.db2.gz DEKLYUMNEPOZNT-STQMWFEESA-N 1 0 305.447 3.318 10 0 DGAERO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000179390729 296044160 /nfs/dbraw/zinc/04/41/60/296044160.db2.gz NQFHYJYCBRGHIU-GVDBMIGSSA-N 1 0 304.478 3.290 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000194913550 201309525 /nfs/dbraw/zinc/30/95/25/201309525.db2.gz AQXYTRSWSJBVJL-ZBFHGGJFSA-N 1 0 312.413 3.330 10 0 DGAERO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cnn2ccccc12)N(C)C ZINC000443006849 239162754 /nfs/dbraw/zinc/16/27/54/239162754.db2.gz KCNQCKMYSIDANJ-UZLBHIALSA-N 1 0 322.456 3.424 10 0 DGAERO C[C@@H](NC(=O)CSC(C)(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000187194874 296050617 /nfs/dbraw/zinc/05/06/17/296050617.db2.gz FXUQIWDUJYGMSM-CZUORRHYSA-N 1 0 308.491 3.326 10 0 DGAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCCC12CCC2 ZINC000444786501 239356080 /nfs/dbraw/zinc/35/60/80/239356080.db2.gz VEEGQKDFVSWPTP-CQSZACIVSA-N 1 0 304.409 3.364 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000246021187 202558729 /nfs/dbraw/zinc/55/87/29/202558729.db2.gz MLNACTUXVATYEO-BBRMVZONSA-N 1 0 323.868 3.212 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(Cc2ccccc2)CC1 ZINC000246153105 432101126 /nfs/dbraw/zinc/10/11/26/432101126.db2.gz PJZUILZSHZHYBY-ROUUACIJSA-N 1 0 312.457 3.095 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246163014 432101645 /nfs/dbraw/zinc/10/16/45/432101645.db2.gz IWSFNNJURMSNTN-VYDXJSESSA-N 1 0 316.445 3.173 10 0 DGAERO Cc1noc(CC[NH2+][C@H](CSc2ccccc2)C(C)C)n1 ZINC000180842906 432102264 /nfs/dbraw/zinc/10/22/64/432102264.db2.gz PPAIELNQFPWIFA-OAHLLOKOSA-N 1 0 305.447 3.327 10 0 DGAERO Cc1ccc2[nH]cc(CCC(=O)NCCC[NH+]3CCCC3)c2c1 ZINC000072816780 283761000 /nfs/dbraw/zinc/76/10/00/283761000.db2.gz VEPCMRVBHSTOJW-UHFFFAOYSA-N 1 0 313.445 3.011 10 0 DGAERO CCc1cc(C)c(C(=O)NCC[N@H+](C)Cc2ccccc2)o1 ZINC000135154716 432102536 /nfs/dbraw/zinc/10/25/36/432102536.db2.gz FSGIUYLOBKALKU-UHFFFAOYSA-N 1 0 300.402 3.012 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc(C2CCCCC2)n1 ZINC000180842604 432103329 /nfs/dbraw/zinc/10/33/29/432103329.db2.gz NRJJGPRFLKUUSP-HZPDHXFCSA-N 1 0 318.465 3.176 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000449099101 240015974 /nfs/dbraw/zinc/01/59/74/240015974.db2.gz SKANUGCWNZRNAJ-QGZVFWFLSA-N 1 0 319.401 3.006 10 0 DGAERO c1c2cccnc2oc1C[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000449116876 240025217 /nfs/dbraw/zinc/02/52/17/240025217.db2.gz RTFMRBZHFJOZKD-UHFFFAOYSA-N 1 0 309.369 3.301 10 0 DGAERO COC[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000246179918 432104228 /nfs/dbraw/zinc/10/42/28/432104228.db2.gz USZUFBQAGYBUIH-HUUCEWRRSA-N 1 0 304.434 3.282 10 0 DGAERO C[C@H]1CCC[C@H](C)C1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246180598 432104250 /nfs/dbraw/zinc/10/42/50/432104250.db2.gz KEAMYGZFCGNMLD-MGLUKCQKSA-N 1 0 307.482 3.126 10 0 DGAERO COc1cccc(CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)n1 ZINC000449181839 240054763 /nfs/dbraw/zinc/05/47/63/240054763.db2.gz BMNULMBJQKONHH-CYBMUJFWSA-N 1 0 322.330 3.327 10 0 DGAERO CS(=O)(=O)c1cccc(C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000449301246 240118582 /nfs/dbraw/zinc/11/85/82/240118582.db2.gz RBEGWIWNEGTPKN-UHFFFAOYSA-N 1 0 307.459 3.102 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCCN1CCO ZINC000449391883 240171291 /nfs/dbraw/zinc/17/12/91/240171291.db2.gz ITLXEEYCCFJZKK-XOVFHRFOSA-N 1 0 322.880 3.180 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449398262 240173398 /nfs/dbraw/zinc/17/33/98/240173398.db2.gz UFCYSECBCUXJDW-NKAIQICCSA-N 1 0 322.880 3.180 10 0 DGAERO OC[C@@H]([C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C1CC1)C1CC1 ZINC000449503108 240250705 /nfs/dbraw/zinc/25/07/05/240250705.db2.gz HLHXWMPVXDSCCO-JDGDGYACSA-N 1 0 303.421 3.458 10 0 DGAERO CC1CC[NH+](Cc2ccc(NC(=O)[C@H](O)C3CCC3)cc2)CC1 ZINC000449727433 240383513 /nfs/dbraw/zinc/38/35/13/240383513.db2.gz PUUHPJNUHCCZMU-GOSISDBHSA-N 1 0 316.445 3.018 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000076985995 283844903 /nfs/dbraw/zinc/84/49/03/283844903.db2.gz SRPOLMXLGMKHNF-RTBURBONSA-N 1 0 314.473 3.372 10 0 DGAERO CC[C@H]1N(C(=O)OCc2ccccc2)CCC[C@]12CCC[NH2+]2 ZINC000091303088 193035972 /nfs/dbraw/zinc/03/59/72/193035972.db2.gz JRDBKLGLOKKWDZ-SJLPKXTDSA-N 1 0 302.418 3.320 10 0 DGAERO CCc1ccc([C@H](C)CC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261908295 288560405 /nfs/dbraw/zinc/56/04/05/288560405.db2.gz XFRQYDBSBSOOOV-IIDMSEBBSA-N 1 0 302.462 3.328 10 0 DGAERO Brc1ccc([C@H]([NH2+]CCn2ccnc2)C2CC2)cc1 ZINC000091264031 193027873 /nfs/dbraw/zinc/02/78/73/193027873.db2.gz IWHRDVYWRGDJQA-OAHLLOKOSA-N 1 0 320.234 3.387 10 0 DGAERO CCCC[C@@H](CCC)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091367580 193048273 /nfs/dbraw/zinc/04/82/73/193048273.db2.gz DHZBALNTZWIYSM-DZGCQCFKSA-N 1 0 312.479 3.344 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)cc1Cl ZINC000091667172 193088272 /nfs/dbraw/zinc/08/82/72/193088272.db2.gz UEFZVFOANZQGKL-WFASDCNBSA-N 1 0 317.260 3.365 10 0 DGAERO Cc1cc2ncc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c(C)n2n1 ZINC000091727452 193098092 /nfs/dbraw/zinc/09/80/92/193098092.db2.gz IYLSKQKNULCBCP-KDOFPFPSSA-N 1 0 318.465 3.184 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1nccs1 ZINC000091735384 193099689 /nfs/dbraw/zinc/09/96/89/193099689.db2.gz KZKYJOHBGRWPQK-WDEREUQCSA-N 1 0 309.385 3.351 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000091832827 193114080 /nfs/dbraw/zinc/11/40/80/193114080.db2.gz MTEGJAVZIWVLAJ-WHWKNOJMSA-N 1 0 313.401 3.279 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1C ZINC000091832532 193114157 /nfs/dbraw/zinc/11/41/57/193114157.db2.gz SJARTLVJIYKMFI-MRXNPFEDSA-N 1 0 315.417 3.383 10 0 DGAERO CC(C)[C@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000078435292 283865333 /nfs/dbraw/zinc/86/53/33/283865333.db2.gz JWAPHYVCCZYQET-INIZCTEOSA-N 1 0 317.477 3.037 10 0 DGAERO Cc1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)s2)o1 ZINC000180967260 432107868 /nfs/dbraw/zinc/10/78/68/432107868.db2.gz BRHKKRVSENXAMM-CYBMUJFWSA-N 1 0 316.426 3.237 10 0 DGAERO CC[C@@H](CO)[N@H+](C)CC1(COc2cccc(COC)c2)CCC1 ZINC000451158389 241024997 /nfs/dbraw/zinc/02/49/97/241024997.db2.gz KLZJNNXKOIVPKK-KRWDZBQOSA-N 1 0 321.461 3.085 10 0 DGAERO CC(C)(C)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079808237 283888618 /nfs/dbraw/zinc/88/86/18/283888618.db2.gz VVAADVOTWWSGDX-UHFFFAOYSA-N 1 0 303.450 3.128 10 0 DGAERO CC(C)[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@@H](CO)C(C)C ZINC000451602699 241185632 /nfs/dbraw/zinc/18/56/32/241185632.db2.gz VQWNJVQKIBGEAD-ZWKOTPCHSA-N 1 0 307.482 3.377 10 0 DGAERO c1cc(-c2nc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)cs2)co1 ZINC000451898853 241268975 /nfs/dbraw/zinc/26/89/75/241268975.db2.gz JPDHPFYOIPMEEU-MRXNPFEDSA-N 1 0 304.415 3.406 10 0 DGAERO c1cc(-c2nc(C[N@@H+]3CCC[C@]4(CCOC4)C3)cs2)co1 ZINC000451898852 241270313 /nfs/dbraw/zinc/27/03/13/241270313.db2.gz JPDHPFYOIPMEEU-INIZCTEOSA-N 1 0 304.415 3.406 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000171165127 432109778 /nfs/dbraw/zinc/10/97/78/432109778.db2.gz BDVMNOPOTXODPV-KRWDZBQOSA-N 1 0 303.450 3.091 10 0 DGAERO CC1(C)[C@H]([NH2+]CCCN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000181007059 432110023 /nfs/dbraw/zinc/11/00/23/432110023.db2.gz YEXFEQOSCFHPAX-DLBZAZTESA-N 1 0 300.446 3.171 10 0 DGAERO O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCC12CCCC2 ZINC000454858971 242049666 /nfs/dbraw/zinc/04/96/66/242049666.db2.gz NHMGEIAJPWUDFV-MRXNPFEDSA-N 1 0 307.482 3.275 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(C)(C)c1ccccc1 ZINC000089732370 299373920 /nfs/dbraw/zinc/37/39/20/299373920.db2.gz IIOLACKZMCHQJP-FUHWJXTLSA-N 1 0 324.472 3.401 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000246258428 432113025 /nfs/dbraw/zinc/11/30/25/432113025.db2.gz KPQROIDXCYSKTO-NUEKZKHPSA-N 1 0 306.837 3.425 10 0 DGAERO Cc1nnc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)o1 ZINC000246269687 432113931 /nfs/dbraw/zinc/11/39/31/432113931.db2.gz RQEIWDUYNYSKTJ-IAGOWNOFSA-N 1 0 315.417 3.246 10 0 DGAERO C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)CC1(CO)CC1 ZINC000190023007 432114626 /nfs/dbraw/zinc/11/46/26/432114626.db2.gz NUXOBUMQTQJXNN-UHFFFAOYSA-N 1 0 306.793 3.199 10 0 DGAERO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC12CCC2 ZINC000435618204 284014945 /nfs/dbraw/zinc/01/49/45/284014945.db2.gz RYRWCIOUWMXPDH-KRWDZBQOSA-N 1 0 313.445 3.162 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000102061670 284021678 /nfs/dbraw/zinc/02/16/78/284021678.db2.gz KDQAAOGLVKVAJN-CYBMUJFWSA-N 1 0 311.857 3.383 10 0 DGAERO CC[N@@H+]1CC[C@@H](NCc2ccccc2OC2CCC2)[C@@H](C)C1 ZINC000246294835 432116541 /nfs/dbraw/zinc/11/65/41/432116541.db2.gz CQCWQEQKUONZQF-MAUKXSAKSA-N 1 0 302.462 3.438 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@H]2CCCC[C@H]2C)cc1F ZINC000102699255 284023718 /nfs/dbraw/zinc/02/37/18/284023718.db2.gz CPJVEYAERWRWCU-WWGRRREGSA-N 1 0 322.424 3.180 10 0 DGAERO COc1ccc(C[NH+]2CCC(OCC(C)C)CC2)cc1OC ZINC000092223265 193176316 /nfs/dbraw/zinc/17/63/16/193176316.db2.gz KXLGFEMGGRKZAK-UHFFFAOYSA-N 1 0 307.434 3.341 10 0 DGAERO Cc1ccc2ncc(C[NH+]3CCC(OCC(C)C)CC3)n2c1 ZINC000092223420 193177003 /nfs/dbraw/zinc/17/70/03/193177003.db2.gz CMWOAYXSVJZHJQ-UHFFFAOYSA-N 1 0 301.434 3.280 10 0 DGAERO CSc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000092231792 193177631 /nfs/dbraw/zinc/17/76/31/193177631.db2.gz BZXDTRYSJVGAQE-HOCLYGCPSA-N 1 0 304.459 3.013 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC(C3CCCCC3)C2)CC1 ZINC000458445104 243061393 /nfs/dbraw/zinc/06/13/93/243061393.db2.gz BMZRTMUOCIOVRQ-UHFFFAOYSA-N 1 0 321.509 3.330 10 0 DGAERO CC(C)(C)c1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000106070631 284043420 /nfs/dbraw/zinc/04/34/20/284043420.db2.gz ZLIBSVWZCVJEGR-UHFFFAOYSA-N 1 0 324.472 3.486 10 0 DGAERO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1CCCCCC1 ZINC000459022792 243230010 /nfs/dbraw/zinc/23/00/10/243230010.db2.gz MEWSEEFBZOPKQA-HNNXBMFYSA-N 1 0 309.498 3.329 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C2CC2)C2CCC2)CC1 ZINC000459154379 243266926 /nfs/dbraw/zinc/26/69/26/243266926.db2.gz OAWKGOSWLOXOJN-SFHVURJKSA-N 1 0 321.509 3.329 10 0 DGAERO C[NH+](C)CCC1CCN(C(=O)NCC2CCCCCC2)CC1 ZINC000459038316 243235011 /nfs/dbraw/zinc/23/50/11/243235011.db2.gz ZBSKEKMGHUJWDW-UHFFFAOYSA-N 1 0 309.498 3.330 10 0 DGAERO CCn1nncc1C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000459310858 243330046 /nfs/dbraw/zinc/33/00/46/243330046.db2.gz RSZYCYPAHIYETR-GOSISDBHSA-N 1 0 314.433 3.424 10 0 DGAERO C[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CCN1CC(F)(F)F ZINC000459351428 243346508 /nfs/dbraw/zinc/34/65/08/243346508.db2.gz GSPSNYRDIAVGCR-BPUTZDHNSA-N 1 0 312.379 3.359 10 0 DGAERO c1ccc(CN2CC[C@H]([NH+]3CCC(OCC4CC4)CC3)C2)cc1 ZINC000459369297 243351253 /nfs/dbraw/zinc/35/12/53/243351253.db2.gz WQRPAHOZEPSIAE-IBGZPJMESA-N 1 0 314.473 3.152 10 0 DGAERO c1ccc([C@@H]([NH2+]Cc2cnc(C3CC3)nc2)[C@@H]2CCOC2)cc1 ZINC000459464934 243380503 /nfs/dbraw/zinc/38/05/03/243380503.db2.gz NFIJPUMRRMVOIJ-QZTJIDSGSA-N 1 0 309.413 3.221 10 0 DGAERO CCn1nncc1C[N@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000459518252 243399455 /nfs/dbraw/zinc/39/94/55/243399455.db2.gz FPEVRXFTQZLXGC-UHFFFAOYSA-N 1 0 302.422 3.107 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C(C)C)C[C@H](C)O1 ZINC000111694469 284081014 /nfs/dbraw/zinc/08/10/14/284081014.db2.gz UFUPCLGLSGAITH-YESZJQIVSA-N 1 0 321.461 3.049 10 0 DGAERO O[C@@H](C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000246309564 432118308 /nfs/dbraw/zinc/11/83/08/432118308.db2.gz DBLUJYVIXKMWJA-HOTGVXAUSA-N 1 0 305.809 3.324 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[C@@H]2C)CC1 ZINC000466691937 243934627 /nfs/dbraw/zinc/93/46/27/243934627.db2.gz XLWPXZSGSCRBEK-DOTOQJQBSA-N 1 0 309.498 3.186 10 0 DGAERO COc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000114489029 284109043 /nfs/dbraw/zinc/10/90/43/284109043.db2.gz NWSBEGYHIJIEKB-KRWDZBQOSA-N 1 0 324.424 3.123 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)CCc2ccccc2F)n1 ZINC000468511611 244047580 /nfs/dbraw/zinc/04/75/80/244047580.db2.gz SWWVFSZCFHWODT-AWEZNQCLSA-N 1 0 302.393 3.383 10 0 DGAERO O[C@H](C[NH+]1CCC(Cc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000469596229 244113027 /nfs/dbraw/zinc/11/30/27/244113027.db2.gz DMXPHFYVLRFUGM-HNNXBMFYSA-N 1 0 319.342 3.394 10 0 DGAERO CC(C)C[C@H](C)[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000470360299 244168943 /nfs/dbraw/zinc/16/89/43/244168943.db2.gz ZXCIAXGYKVWNNU-KRWDZBQOSA-N 1 0 316.489 3.492 10 0 DGAERO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000470944164 244196958 /nfs/dbraw/zinc/19/69/58/244196958.db2.gz ISRABVRMTSWLII-GXFFZTMASA-N 1 0 301.308 3.246 10 0 DGAERO C[C@H]1CCC[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119014628 284132343 /nfs/dbraw/zinc/13/23/43/284132343.db2.gz RKEADPDWBBPKDW-ZGRYLRDCSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119051175 284133189 /nfs/dbraw/zinc/13/31/89/284133189.db2.gz WZFXAKQFBPUPSI-RDHHWEPZSA-N 1 0 309.498 3.327 10 0 DGAERO c1cc(C2OCCO2)ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282264886 216868611 /nfs/dbraw/zinc/86/86/11/216868611.db2.gz RBHHYDMVSJIJHP-KRWDZBQOSA-N 1 0 317.429 3.171 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ncccc1C ZINC000093170644 193210252 /nfs/dbraw/zinc/21/02/52/193210252.db2.gz CQSRGGNUZVLPNW-MRXNPFEDSA-N 1 0 312.413 3.201 10 0 DGAERO COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000119703271 284149221 /nfs/dbraw/zinc/14/92/21/284149221.db2.gz SFRMULWTHXFXBA-YOEHRIQHSA-N 1 0 318.461 3.210 10 0 DGAERO CCCOc1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000119603623 284146802 /nfs/dbraw/zinc/14/68/02/284146802.db2.gz WSLBNDLMNSZXTE-WMLDXEAASA-N 1 0 319.449 3.326 10 0 DGAERO CCC1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCC1 ZINC000119944270 284156708 /nfs/dbraw/zinc/15/67/08/284156708.db2.gz DOPLCNYIWQMMOV-UHFFFAOYSA-N 1 0 321.509 3.474 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000246328943 432120666 /nfs/dbraw/zinc/12/06/66/432120666.db2.gz UDLVYCCWWCWBBL-HKUYNNGSSA-N 1 0 316.489 3.425 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](CC[C@H]3CCOC3=O)C2)n1 ZINC000246327306 432120675 /nfs/dbraw/zinc/12/06/75/432120675.db2.gz DIGTVMDNBDMOJY-KBPBESRZSA-N 1 0 322.474 3.399 10 0 DGAERO CC[C@H]1CCCCCN1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000120185927 284162751 /nfs/dbraw/zinc/16/27/51/284162751.db2.gz GXVYDAULQGMSGQ-SJORKVTESA-N 1 0 309.498 3.471 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(-c2cccnc2)c1 ZINC000093437429 193251137 /nfs/dbraw/zinc/25/11/37/193251137.db2.gz JJNVOTDLYRKWTD-OXJNMPFZSA-N 1 0 307.441 3.417 10 0 DGAERO CCN(CC)c1ncc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000093638580 193279359 /nfs/dbraw/zinc/27/93/59/193279359.db2.gz GJWOZOAYTPZMOC-GDBMZVCRSA-N 1 0 324.538 3.151 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CCN1C ZINC000093644204 193280104 /nfs/dbraw/zinc/28/01/04/193280104.db2.gz MTYJSYIKNXHQHZ-WMLDXEAASA-N 1 0 302.462 3.315 10 0 DGAERO COc1c(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c(C)nn1C ZINC000093531818 193265654 /nfs/dbraw/zinc/26/56/54/193265654.db2.gz ATVAJBAQHHYKIV-YVEFUNNKSA-N 1 0 317.408 3.459 10 0 DGAERO CCc1nn(C)c(Cl)c1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000093615029 193275673 /nfs/dbraw/zinc/27/56/73/193275673.db2.gz BHNHITFDQMAPNB-KGLIPLIRSA-N 1 0 324.900 3.083 10 0 DGAERO Cc1cnc(CC[N@@H+](C)CC2=Cc3ccccc3OC2)s1 ZINC000093807254 193309877 /nfs/dbraw/zinc/30/98/77/193309877.db2.gz SSVMUYIZLFLQEI-UHFFFAOYSA-N 1 0 300.427 3.402 10 0 DGAERO Cc1ncc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644365 193280912 /nfs/dbraw/zinc/28/09/12/193280912.db2.gz LXVFFFXXDBSYTF-CRAIPNDOSA-N 1 0 312.461 3.095 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CCN1C ZINC000093644466 193281086 /nfs/dbraw/zinc/28/10/86/193281086.db2.gz ANXXWZAZTZOPKH-SUMWQHHRSA-N 1 0 316.424 3.130 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3cccnc3C)C2)c1 ZINC000093838097 193314345 /nfs/dbraw/zinc/31/43/45/193314345.db2.gz OOHROMWZXXAOFS-MRXNPFEDSA-N 1 0 312.413 3.397 10 0 DGAERO c1ncc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)s1 ZINC000093842944 193315705 /nfs/dbraw/zinc/31/57/05/193315705.db2.gz DCAWTVVYYLPONV-INIZCTEOSA-N 1 0 302.443 3.367 10 0 DGAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094670440 193390761 /nfs/dbraw/zinc/39/07/61/193390761.db2.gz MHNBRPQALLJUPT-KWQFWETISA-N 1 0 317.614 3.168 10 0 DGAERO COc1ccccc1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094365178 193366664 /nfs/dbraw/zinc/36/66/64/193366664.db2.gz XRNCMKHLKXRHNX-OAHLLOKOSA-N 1 0 307.459 3.230 10 0 DGAERO O=C(OCc1ccccc1)N(C[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000095076931 193417509 /nfs/dbraw/zinc/41/75/09/193417509.db2.gz FCGKOTIDFDUPTK-CYBMUJFWSA-N 1 0 316.323 3.287 10 0 DGAERO CCC[C@H](C(=O)N1CCC(C)(c2ccccc2)CC1)[NH+](C)C ZINC000121447104 284197568 /nfs/dbraw/zinc/19/75/68/284197568.db2.gz JVNXUXPDRCVXJU-QGZVFWFLSA-N 1 0 302.462 3.297 10 0 DGAERO Cn1ncc(Br)c1C[NH2+]CCCCC(C)(C)C ZINC000487291564 245045913 /nfs/dbraw/zinc/04/59/13/245045913.db2.gz FAFKOFOTMNBBHC-UHFFFAOYSA-N 1 0 302.260 3.489 10 0 DGAERO CCOc1c(Cl)cccc1C[NH2+]CCc1cccc(OC)n1 ZINC000487298844 245047548 /nfs/dbraw/zinc/04/75/48/245047548.db2.gz NKTVFIBSFZDXCL-UHFFFAOYSA-N 1 0 320.820 3.475 10 0 DGAERO CSCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181288295 432122415 /nfs/dbraw/zinc/12/24/15/432122415.db2.gz MLKANMVWOGBNRW-CQSZACIVSA-N 1 0 302.447 3.014 10 0 DGAERO Fc1cccc(Cc2noc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)n2)c1 ZINC000488171572 245156019 /nfs/dbraw/zinc/15/60/19/245156019.db2.gz OYSMYQLUKJCOOY-HUUCEWRRSA-N 1 0 315.392 3.422 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)Cc2cccc(C)c2Cl)CC1 ZINC000488748146 245230067 /nfs/dbraw/zinc/23/00/67/245230067.db2.gz BNLLHZSUECYIJA-UHFFFAOYSA-N 1 0 322.880 3.429 10 0 DGAERO c1cc(C[NH+]2CCCC2)cc(-c2nc(C[C@H]3CCCO3)no2)c1 ZINC000264627995 204039576 /nfs/dbraw/zinc/03/95/76/204039576.db2.gz SFAAYQMHQCDPSI-MRXNPFEDSA-N 1 0 313.401 3.054 10 0 DGAERO COc1ccc([C@H](C)[C@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124227874 284255120 /nfs/dbraw/zinc/25/51/20/284255120.db2.gz DWQOPOQTPDXUAW-KGLIPLIRSA-N 1 0 315.461 3.370 10 0 DGAERO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc(C)cc(OC)c2C)C[C@H]1C ZINC000489724416 245339417 /nfs/dbraw/zinc/33/94/17/245339417.db2.gz LIEUVOZOUPZDLM-KGLIPLIRSA-N 1 0 319.449 3.258 10 0 DGAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)Cc2ccccc2)c1 ZINC000171337503 432124054 /nfs/dbraw/zinc/12/40/54/432124054.db2.gz WBWNMFGWOUNGNB-UHFFFAOYSA-N 1 0 310.441 3.128 10 0 DGAERO O=C(NC1CCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000264724315 204105251 /nfs/dbraw/zinc/10/52/51/204105251.db2.gz FKSVICLDVXRLQC-AYHJJNSGSA-N 1 0 313.445 3.034 10 0 DGAERO Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCCCC[NH+](C)C ZINC000490040716 245375862 /nfs/dbraw/zinc/37/58/62/245375862.db2.gz DUMLZHPIWWDYSR-JKSUJKDBSA-N 1 0 302.462 3.434 10 0 DGAERO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000181343894 432124410 /nfs/dbraw/zinc/12/44/10/432124410.db2.gz GDGCVENGQBDASU-WMLDXEAASA-N 1 0 310.445 3.461 10 0 DGAERO CCc1cc(C)c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000125088774 284269496 /nfs/dbraw/zinc/26/94/96/284269496.db2.gz OUYPUHAYTINOGX-OAHLLOKOSA-N 1 0 304.434 3.241 10 0 DGAERO CCc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)oc1CC ZINC000125090897 284269850 /nfs/dbraw/zinc/26/98/50/284269850.db2.gz UADSSEXQNCKWFT-INIZCTEOSA-N 1 0 318.461 3.495 10 0 DGAERO C[C@H]1CCCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125302365 284273270 /nfs/dbraw/zinc/27/32/70/284273270.db2.gz ZJHGIGUVYHGSMH-ORBLRFAASA-N 1 0 309.498 3.232 10 0 DGAERO CSCCCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000125813025 284284872 /nfs/dbraw/zinc/28/48/72/284284872.db2.gz SBICSCKRPOGDQJ-UHFFFAOYSA-N 1 0 320.458 3.367 10 0 DGAERO Cc1cc(OCCN2CC[NH+](C3CC3)CC2)ccc1C(C)C ZINC000126067104 284292319 /nfs/dbraw/zinc/29/23/19/284292319.db2.gz IBBHKSCQKUQRLF-UHFFFAOYSA-N 1 0 302.462 3.277 10 0 DGAERO CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246377052 432125375 /nfs/dbraw/zinc/12/53/75/432125375.db2.gz QNAFNDWFRLPAKL-YVSFHVDLSA-N 1 0 309.498 3.325 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)NCCC1=CCCC1)c1ccccc1 ZINC000126477646 284306527 /nfs/dbraw/zinc/30/65/27/284306527.db2.gz XSKVZZSSDPHKSC-KRWDZBQOSA-N 1 0 301.434 3.089 10 0 DGAERO C[C@H](C[NH2+][C@@H](CC1CCC1)c1ccccc1)CS(C)(=O)=O ZINC000181358189 432125902 /nfs/dbraw/zinc/12/59/02/432125902.db2.gz LHAANPLESFOQPU-PBHICJAKSA-N 1 0 309.475 3.188 10 0 DGAERO C[C@@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)CS(C)(=O)=O ZINC000181358210 432126788 /nfs/dbraw/zinc/12/67/88/432126788.db2.gz LHAANPLESFOQPU-WMLDXEAASA-N 1 0 309.475 3.188 10 0 DGAERO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127315219 284335022 /nfs/dbraw/zinc/33/50/22/284335022.db2.gz IOKQGTTYFOTBPU-NVXWUHKLSA-N 1 0 316.445 3.485 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127477965 284341402 /nfs/dbraw/zinc/34/14/02/284341402.db2.gz IJTAOCJDFFFABO-FZMZJTMJSA-N 1 0 316.214 3.229 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CSC2(C)C)cc1OC(F)F ZINC000282817918 217272113 /nfs/dbraw/zinc/27/21/13/217272113.db2.gz NAVIAKYHYPHOFR-LBPRGKRZSA-N 1 0 303.374 3.280 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000127983385 284359913 /nfs/dbraw/zinc/35/99/13/284359913.db2.gz GJIHVGMUDKODAT-AAEUAGOBSA-N 1 0 323.403 3.137 10 0 DGAERO Cc1cc(CN2CC[NH+](C3CC3)CC2)ccc1Oc1cccnc1 ZINC000127928129 284358208 /nfs/dbraw/zinc/35/82/08/284358208.db2.gz QTRZOXVMTVTJAA-UHFFFAOYSA-N 1 0 323.440 3.462 10 0 DGAERO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000190158402 432128784 /nfs/dbraw/zinc/12/87/84/432128784.db2.gz PWXJQUAGSKJZCV-IAOVAPTHSA-N 1 0 315.417 3.019 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000128339907 284372089 /nfs/dbraw/zinc/37/20/89/284372089.db2.gz FRCSHMKEPUXUEC-SFHVURJKSA-N 1 0 323.444 3.072 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](CCCOc1ccc(F)cc1)CC2 ZINC000128374221 284373535 /nfs/dbraw/zinc/37/35/35/284373535.db2.gz BWCSJNGNRIZBQN-QAPCUYQASA-N 1 0 307.409 3.222 10 0 DGAERO CCc1oc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1C ZINC000128574211 284379697 /nfs/dbraw/zinc/37/96/97/284379697.db2.gz NRRVVYPYVURMFR-OAHLLOKOSA-N 1 0 318.392 3.322 10 0 DGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc(Cl)c1 ZINC000246434359 432130038 /nfs/dbraw/zinc/13/00/38/432130038.db2.gz NDDIFLKVJDUSLE-CJNGLKHVSA-N 1 0 321.852 3.281 10 0 DGAERO CC(C)N1CCC[C@@H]([N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)C1=O ZINC000190175234 432130114 /nfs/dbraw/zinc/13/01/14/432130114.db2.gz PIUYYHQGIGOQEX-OLZOCXBDSA-N 1 0 320.399 3.296 10 0 DGAERO Cc1ccc(CCC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000181441320 432130179 /nfs/dbraw/zinc/13/01/79/432130179.db2.gz BSNBWQPZJHNJEZ-CVEARBPZSA-N 1 0 318.461 3.290 10 0 DGAERO COc1ccc(/C=C/CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000019223287 182108048 /nfs/dbraw/zinc/10/80/48/182108048.db2.gz RTOIBERIKJDDSY-MJICGBHWSA-N 1 0 300.446 3.269 10 0 DGAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2cccc(Br)c2)C1 ZINC000019435621 182123207 /nfs/dbraw/zinc/12/32/07/182123207.db2.gz GZEHKEAJXBFAPH-HUBLWGQQSA-N 1 0 311.267 3.427 10 0 DGAERO O=C(Nc1ccc(Br)cc1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019438099 182123231 /nfs/dbraw/zinc/12/32/31/182123231.db2.gz OMKQBOQWCBPOHV-LEWSCRJBSA-N 1 0 323.234 3.308 10 0 DGAERO NC(=[NH2+])c1cccc(OCc2ccc(Br)cc2)c1 ZINC000019519167 182127139 /nfs/dbraw/zinc/12/71/39/182127139.db2.gz GXKHYLPPSROTMK-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO NC(=[NH2+])c1cccc(OCc2cc(Br)ccc2F)c1 ZINC000019518342 182127547 /nfs/dbraw/zinc/12/75/47/182127547.db2.gz GUKTYOQZCZPGMJ-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000246433282 432130912 /nfs/dbraw/zinc/13/09/12/432130912.db2.gz MWCMQGOTTIMVAV-NUJGCVRESA-N 1 0 317.477 3.428 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCc3ccccc3C)[C@@H]2C1 ZINC000246430720 432130941 /nfs/dbraw/zinc/13/09/41/432130941.db2.gz IMCZFFRWRSFGFG-QRVBRYPASA-N 1 0 303.446 3.196 10 0 DGAERO C[C@](C[NH3+])(CCc1ccccc1)N1CCc2sccc2C1 ZINC000019807747 182152460 /nfs/dbraw/zinc/15/24/60/182152460.db2.gz OVGSGGUQFCIJDZ-GOSISDBHSA-N 1 0 300.471 3.456 10 0 DGAERO CCCCC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000019901235 182162158 /nfs/dbraw/zinc/16/21/58/182162158.db2.gz AOPJCCWFFYBBEG-UHFFFAOYSA-N 1 0 302.212 3.443 10 0 DGAERO C[C@H]([NH2+][C@H]1CN2CCC1CC2)c1cccc(Br)c1 ZINC000019946520 182168553 /nfs/dbraw/zinc/16/85/53/182168553.db2.gz AAEQZVYXIKAPBJ-NHYWBVRUSA-N 1 0 309.251 3.194 10 0 DGAERO [NH3+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1Cl ZINC000019988287 182174434 /nfs/dbraw/zinc/17/44/34/182174434.db2.gz RYRGFCMAPFRYQT-ZDUSSCGKSA-N 1 0 308.168 3.211 10 0 DGAERO COc1ccc(C[NH2+]CC(=O)Nc2ccccc2Cl)cc1 ZINC000020016055 182178383 /nfs/dbraw/zinc/17/83/83/182178383.db2.gz DUXRZFVORDGRKK-UHFFFAOYSA-N 1 0 304.777 3.077 10 0 DGAERO CC(C)[C@@H](CNCc1ccc(F)c(Br)c1)[NH+](C)C ZINC000020145813 182192203 /nfs/dbraw/zinc/19/22/03/182192203.db2.gz YCWKMWNMIUHMJB-CQSZACIVSA-N 1 0 317.246 3.264 10 0 DGAERO CC(C)[C@H](CNCc1cc(Br)ccc1F)[NH+](C)C ZINC000020145389 182192518 /nfs/dbraw/zinc/19/25/18/182192518.db2.gz UADCNODKFSDKIQ-AWEZNQCLSA-N 1 0 317.246 3.264 10 0 DGAERO CC(C)[C@H]1CCC[C@H](NC(=O)NCc2cccnc2N(C)C)C1 ZINC000171421962 432132235 /nfs/dbraw/zinc/13/22/35/432132235.db2.gz BRQDEVDYYJZINP-HOCLYGCPSA-N 1 0 318.465 3.162 10 0 DGAERO COc1cccc([C@H](C[NH3+])N(C)Cc2ccccc2Cl)c1 ZINC000020225811 182198549 /nfs/dbraw/zinc/19/85/49/182198549.db2.gz HITAXOYVHGFNHM-KRWDZBQOSA-N 1 0 304.821 3.480 10 0 DGAERO CC(C)Cc1nc(C(=O)NC2CCC(C[NH+](C)C)CC2)cs1 ZINC000130010190 284429778 /nfs/dbraw/zinc/42/97/78/284429778.db2.gz VYFBSNFHIPBNND-UHFFFAOYSA-N 1 0 323.506 3.192 10 0 DGAERO Nc1cc(Cl)cc(Cl)c1NC(=O)CC[NH+]1CCCC1 ZINC000020545975 182229122 /nfs/dbraw/zinc/22/91/22/182229122.db2.gz MFNVOXSTZUZZBF-UHFFFAOYSA-N 1 0 302.205 3.000 10 0 DGAERO CCCOc1ccc(C[NH2+]CCCn2ccnc2)cc1OCC ZINC000020933488 182255122 /nfs/dbraw/zinc/25/51/22/182255122.db2.gz QFGYULRRZKHSRD-UHFFFAOYSA-N 1 0 317.433 3.251 10 0 DGAERO CCCOc1ccc(C[NH2+]CCCN2CCCC2=O)cc1Cl ZINC000020925776 182254571 /nfs/dbraw/zinc/25/45/71/182254571.db2.gz YNTJEVBLYKOIQR-UHFFFAOYSA-N 1 0 324.852 3.231 10 0 DGAERO COc1cc(Br)cc(C[NH2+]C(C)(C)C)c1OC ZINC000020933595 182255003 /nfs/dbraw/zinc/25/50/03/182255003.db2.gz CGOLSXVYDGUCNY-UHFFFAOYSA-N 1 0 302.212 3.354 10 0 DGAERO CC(C)N(CC[NH2+]C1CC(OCc2ccccc2)C1)C(C)C ZINC000493953563 246100887 /nfs/dbraw/zinc/10/08/87/246100887.db2.gz VEZWHACOVJTNNX-UHFFFAOYSA-N 1 0 304.478 3.443 10 0 DGAERO O=C(NCCc1cccc2ccccc21)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494260677 246126953 /nfs/dbraw/zinc/12/69/53/246126953.db2.gz YDHLEAVSMULNBH-IBGZPJMESA-N 1 0 308.425 3.125 10 0 DGAERO c1cn2c(n1)C[C@@H]([NH2+]Cc1ncc(-c3ccccc3)s1)CC2 ZINC000494412945 246144494 /nfs/dbraw/zinc/14/44/94/246144494.db2.gz RFFDGGRRGKUQCA-AWEZNQCLSA-N 1 0 310.426 3.111 10 0 DGAERO c1cn2c(n1)C[C@H]([NH2+]Cc1ncc(-c3ccccc3)s1)CC2 ZINC000494412946 246144718 /nfs/dbraw/zinc/14/47/18/246144718.db2.gz RFFDGGRRGKUQCA-CQSZACIVSA-N 1 0 310.426 3.111 10 0 DGAERO CCSc1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000171441490 432134310 /nfs/dbraw/zinc/13/43/10/432134310.db2.gz MKYIZYYPUDKSPU-DZGCQCFKSA-N 1 0 321.490 3.205 10 0 DGAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2cc(Br)ccc2F)C1 ZINC000022172119 182312275 /nfs/dbraw/zinc/31/22/75/182312275.db2.gz KLMOTMZRFMVEMX-YGRLFVJLSA-N 1 0 315.230 3.320 10 0 DGAERO c1ccc(COC2CC([NH2+]C[C@@H]3CCCCN3C3CC3)C2)cc1 ZINC000494476240 246152840 /nfs/dbraw/zinc/15/28/40/246152840.db2.gz NRHVLRWHHAFDSA-SYYJFZTOSA-N 1 0 314.473 3.341 10 0 DGAERO Cc1csc(NC(=O)C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 ZINC000495395932 246264874 /nfs/dbraw/zinc/26/48/74/246264874.db2.gz KAHGOBXEZHELAJ-MRVWCRGKSA-N 1 0 309.479 3.440 10 0 DGAERO COCc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000246490491 432136626 /nfs/dbraw/zinc/13/66/26/432136626.db2.gz HDPQWQMKFQAFLB-MOPGFXCFSA-N 1 0 302.462 3.280 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000246483892 432136860 /nfs/dbraw/zinc/13/68/60/432136860.db2.gz RCWMKJOGMZQRHH-FUHWJXTLSA-N 1 0 317.477 3.175 10 0 DGAERO Cc1csc(=O)n1CC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000246499737 432137742 /nfs/dbraw/zinc/13/77/42/432137742.db2.gz PWRYJZWWHCKGEO-GDBMZVCRSA-N 1 0 302.443 3.096 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)C1(C)C ZINC000150955101 284543658 /nfs/dbraw/zinc/54/36/58/284543658.db2.gz TUSLRHHQDATIQS-RRQGHBQHSA-N 1 0 314.433 3.122 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(OC)c2)C12CCCC2 ZINC000181613818 432140281 /nfs/dbraw/zinc/14/02/81/432140281.db2.gz FRYXFJORMWFTEA-DLBZAZTESA-N 1 0 305.418 3.228 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(OC)c2)C12CCCC2 ZINC000181613864 432139800 /nfs/dbraw/zinc/13/98/00/432139800.db2.gz FRYXFJORMWFTEA-SJORKVTESA-N 1 0 305.418 3.228 10 0 DGAERO CCC(=O)CCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000190307431 432141554 /nfs/dbraw/zinc/14/15/54/432141554.db2.gz IBDTXZBORYWHQT-LSDHHAIUSA-N 1 0 315.335 3.182 10 0 DGAERO COCc1ccsc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000181778849 432142884 /nfs/dbraw/zinc/14/28/84/432142884.db2.gz JDAYLZOBKHQKPF-UHFFFAOYSA-N 1 0 324.490 3.281 10 0 DGAERO O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@@H]1c1nccs1 ZINC000283885227 296241486 /nfs/dbraw/zinc/24/14/86/296241486.db2.gz IBZMLIMRRXKIGR-CQSZACIVSA-N 1 0 312.398 3.158 10 0 DGAERO Fc1ccccc1NC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000181766257 432144158 /nfs/dbraw/zinc/14/41/58/432144158.db2.gz POPOVLSGTWXVEG-SFHVURJKSA-N 1 0 322.424 3.245 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2ccco2)n1 ZINC000136073543 432144419 /nfs/dbraw/zinc/14/44/19/432144419.db2.gz QSLONTALJSRXEO-HUUCEWRRSA-N 1 0 317.458 3.462 10 0 DGAERO CC(C)C[C@@H](C)OCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000151841833 284584402 /nfs/dbraw/zinc/58/44/02/284584402.db2.gz KPKAFXFTXIQHOT-AEFFLSMTSA-N 1 0 320.477 3.247 10 0 DGAERO CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246578189 432145127 /nfs/dbraw/zinc/14/51/27/432145127.db2.gz WALYQBHXOBFQCK-FSPWUOQZSA-N 1 0 324.415 3.068 10 0 DGAERO COc1ccc([C@H](C)[NH2+]Cc2cncc(C)c2)cc1NC(C)=O ZINC000181839098 432147639 /nfs/dbraw/zinc/14/76/39/432147639.db2.gz QJMOOQVFLHUSTJ-ZDUSSCGKSA-N 1 0 313.401 3.208 10 0 DGAERO C[C@]1([NH2+]Cc2cc(-c3ccccc3)cs2)CCS(=O)(=O)C1 ZINC000038030811 182972764 /nfs/dbraw/zinc/97/27/64/182972764.db2.gz YLZJBQFMVHGFRP-INIZCTEOSA-N 1 0 321.467 3.082 10 0 DGAERO COc1cccc(OCCN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000246607789 432148657 /nfs/dbraw/zinc/14/86/57/432148657.db2.gz HPDQMVIMUPQCOJ-SJORKVTESA-N 1 0 318.461 3.021 10 0 DGAERO CCc1cccc(CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000152485326 284624299 /nfs/dbraw/zinc/62/42/99/284624299.db2.gz BISCKRMINJXLPO-IBGZPJMESA-N 1 0 310.441 3.211 10 0 DGAERO CCCNC(=O)C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000040239781 183048846 /nfs/dbraw/zinc/04/88/46/183048846.db2.gz YTESYKLVDINFJE-UHFFFAOYSA-N 1 0 306.406 3.170 10 0 DGAERO c1ccc(-c2nc3ccccc3n2CCC[NH+]2CCOCC2)cc1 ZINC000040389843 183059994 /nfs/dbraw/zinc/05/99/94/183059994.db2.gz VKJWNLLUFKRTNV-UHFFFAOYSA-N 1 0 321.424 3.426 10 0 DGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000181881642 432149430 /nfs/dbraw/zinc/14/94/30/432149430.db2.gz IZRKQNDLRNQESW-KKUMJFAQSA-N 1 0 320.481 3.105 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(F)c(Cl)c1 ZINC000102046071 193856875 /nfs/dbraw/zinc/85/68/75/193856875.db2.gz KWAQZEFYUWTJSP-NSHDSACASA-N 1 0 315.820 3.009 10 0 DGAERO COc1cc2c(cc1OC)[C@H](C[C@@H](O)c1ccccc1)[NH2+]CC2 ZINC000041701846 183217563 /nfs/dbraw/zinc/21/75/63/183217563.db2.gz YCFTZQSGANFCHN-DLBZAZTESA-N 1 0 313.397 3.014 10 0 DGAERO CC[N@H+](CCOc1cccc(Br)c1)[C@@H](C)COC ZINC000042252281 183247526 /nfs/dbraw/zinc/24/75/26/183247526.db2.gz NZQPBZBPNZTJIG-LBPRGKRZSA-N 1 0 316.239 3.185 10 0 DGAERO CC[N@H+](CCC(N)=S)Cc1cc(Br)ccc1F ZINC000042452881 183271844 /nfs/dbraw/zinc/27/18/44/183271844.db2.gz KDRSJZZXRKCJPM-UHFFFAOYSA-N 1 0 319.243 3.086 10 0 DGAERO CCC(CC)[N@H+](CCO)Cc1ccc(N)cc1Br ZINC000042483457 183276181 /nfs/dbraw/zinc/27/61/81/183276181.db2.gz KPGFIVIKZXTKQS-UHFFFAOYSA-N 1 0 315.255 3.014 10 0 DGAERO CC(C)C[C@@H]([NH3+])CN(C)Cc1csc(Br)c1 ZINC000042365855 183260187 /nfs/dbraw/zinc/26/01/87/183260187.db2.gz UQUKEPDGLPPFRC-LLVKDONJSA-N 1 0 305.285 3.316 10 0 DGAERO CN(Cc1cc(Br)cs1)c1ccccc1C(N)=[NH2+] ZINC000042399508 183264111 /nfs/dbraw/zinc/26/41/11/183264111.db2.gz XPYBGLUATNRRFY-UHFFFAOYSA-N 1 0 324.247 3.431 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1ccnc1C ZINC000042955861 183321704 /nfs/dbraw/zinc/32/17/04/183321704.db2.gz FNYHZNGZSWLBII-ZIAGYGMSSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@H]([NH3+])[C@H](OCC(F)(F)F)c1ccc(Br)cc1 ZINC000042956324 183322712 /nfs/dbraw/zinc/32/27/12/183322712.db2.gz VROQJRHHJBZMMR-XVKPBYJWSA-N 1 0 312.129 3.416 10 0 DGAERO [NH3+]C[C@@H](Oc1ccc(CO)cc1)c1ccc(Br)cc1 ZINC000042958410 183323399 /nfs/dbraw/zinc/32/33/99/183323399.db2.gz KYINPENPUUXRLZ-OAHLLOKOSA-N 1 0 322.202 3.020 10 0 DGAERO CCCCOCCO[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957844 183323477 /nfs/dbraw/zinc/32/34/77/183323477.db2.gz CXQSJJORFVARIY-AWEZNQCLSA-N 1 0 316.239 3.282 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](OCCCOC)c1ccc(Br)cc1 ZINC000042958368 183323738 /nfs/dbraw/zinc/32/37/38/183323738.db2.gz WVDYELAQVUKHJH-KGLIPLIRSA-N 1 0 316.239 3.281 10 0 DGAERO CCc1nccn1[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022262 183329386 /nfs/dbraw/zinc/32/93/86/183329386.db2.gz LHKKZSSQTVDHCZ-QMTHXVAHSA-N 1 0 308.223 3.145 10 0 DGAERO CCc1c(C)nn([C@@H](C[NH3+])c2cccc(Br)c2)c1C ZINC000043022223 183329456 /nfs/dbraw/zinc/32/94/56/183329456.db2.gz IIWJVZVJPAQKEK-HNNXBMFYSA-N 1 0 322.250 3.373 10 0 DGAERO Cc1cnc(S[C@@H](C[NH3+])c2cccc(Br)c2)nc1 ZINC000043025311 183331467 /nfs/dbraw/zinc/33/14/67/183331467.db2.gz BUFNDLVHNAMZDK-LBPRGKRZSA-N 1 0 324.247 3.340 10 0 DGAERO Cc1ccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000043050119 183332668 /nfs/dbraw/zinc/33/26/68/183332668.db2.gz DGMSGOJSGQNGRK-UHFFFAOYSA-N 1 0 315.461 3.012 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)n1cc(C)cn1 ZINC000043093794 183337004 /nfs/dbraw/zinc/33/70/04/183337004.db2.gz SHTNCKLEKQTTPY-UONOGXRCSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)n1cc(Cl)cn1 ZINC000043093812 183337051 /nfs/dbraw/zinc/33/70/51/183337051.db2.gz GTHUKFKDTRSQSB-PRHODGIISA-N 1 0 314.614 3.236 10 0 DGAERO [NH3+]C[C@H](OC[C@@H]1CCCCO1)c1ccccc1Br ZINC000043094741 183337474 /nfs/dbraw/zinc/33/74/74/183337474.db2.gz QHISBRAESQYYKC-FZMZJTMJSA-N 1 0 314.223 3.035 10 0 DGAERO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCCCC1 ZINC000043284498 183350250 /nfs/dbraw/zinc/35/02/50/183350250.db2.gz CONTWDQFPCDJSD-BXKDBHETSA-N 1 0 303.269 3.385 10 0 DGAERO CCN(Cc1sccc1Br)C1CC[NH2+]CC1 ZINC000043676950 183378910 /nfs/dbraw/zinc/37/89/10/183378910.db2.gz IGUGZUJTKCPOPZ-UHFFFAOYSA-N 1 0 303.269 3.085 10 0 DGAERO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC([NH+](C)C)CC1 ZINC000153717818 284687199 /nfs/dbraw/zinc/68/71/99/284687199.db2.gz HYTFHHOPOVXYAA-ZDUSSCGKSA-N 1 0 308.853 3.071 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)ccc1F ZINC000154006257 284706177 /nfs/dbraw/zinc/70/61/77/284706177.db2.gz IRAKNGASRFFAMA-NWDGAFQWSA-N 1 0 319.424 3.466 10 0 DGAERO C[C@@H](NC(=O)NCC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000105080553 194069885 /nfs/dbraw/zinc/06/98/85/194069885.db2.gz YFBGIHRAHNOECR-GFCCVEGCSA-N 1 0 309.841 3.042 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000105080493 194070866 /nfs/dbraw/zinc/07/08/66/194070866.db2.gz GOVCITIKHKMGSF-SWLSCSKDSA-N 1 0 309.841 3.137 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3cccnn3)C1)CCC2 ZINC000180929585 284737825 /nfs/dbraw/zinc/73/78/25/284737825.db2.gz QAVQQDUCOVJSRS-PKOBYXMFSA-N 1 0 322.456 3.421 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000105251156 194088857 /nfs/dbraw/zinc/08/88/57/194088857.db2.gz RYGMLGMOGCWJEA-DLBZAZTESA-N 1 0 319.424 3.012 10 0 DGAERO CC(C)(C)[NH+]1CCC(Nc2cccc3c2OCC[C@@H]3O)CC1 ZINC000184574678 284749011 /nfs/dbraw/zinc/74/90/11/284749011.db2.gz ZCPSHLQNQOBLNV-INIZCTEOSA-N 1 0 304.434 3.177 10 0 DGAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1 ZINC000105872234 194151520 /nfs/dbraw/zinc/15/15/20/194151520.db2.gz LQWZWPPHVGCMNQ-ONGXEEELSA-N 1 0 311.216 3.251 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1 ZINC000105872231 194151889 /nfs/dbraw/zinc/15/18/89/194151889.db2.gz LQWZWPPHVGCMNQ-MWLCHTKSSA-N 1 0 311.216 3.251 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1c(F)cccc1F)CC2 ZINC000105874323 194152764 /nfs/dbraw/zinc/15/27/64/194152764.db2.gz FQNCPLPMXHMMNV-VXGBXAGGSA-N 1 0 320.387 3.345 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)CC2 ZINC000105874337 194153547 /nfs/dbraw/zinc/15/35/47/194153547.db2.gz WHTSNQVSDLOGST-WCQYABFASA-N 1 0 320.387 3.345 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)CC2 ZINC000105872493 194153701 /nfs/dbraw/zinc/15/37/01/194153701.db2.gz LJJRKWWMJUIKCC-NWDGAFQWSA-N 1 0 304.825 3.160 10 0 DGAERO FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883295 194157507 /nfs/dbraw/zinc/15/75/07/194157507.db2.gz LQYCBIOMGROZFI-CYBMUJFWSA-N 1 0 324.350 3.209 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC000105896077 194161328 /nfs/dbraw/zinc/16/13/28/194161328.db2.gz BAJXXCPAJXKCCL-CYBMUJFWSA-N 1 0 319.371 3.143 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@](C)(O)c1ccccc1 ZINC000105896142 194162518 /nfs/dbraw/zinc/16/25/18/194162518.db2.gz PHEYNZDOHOAIJZ-MJGOQNOKSA-N 1 0 313.445 3.082 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)c1 ZINC000105900774 194165409 /nfs/dbraw/zinc/16/54/09/194165409.db2.gz GKTKTVMSVGOEHH-LJQANCHMSA-N 1 0 321.428 3.214 10 0 DGAERO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106068793 194184485 /nfs/dbraw/zinc/18/44/85/194184485.db2.gz VYKWWXALJZAWDO-AWEZNQCLSA-N 1 0 316.836 3.403 10 0 DGAERO Cc1ccc(C)c(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000106085285 194185043 /nfs/dbraw/zinc/18/50/43/194185043.db2.gz YZXDJTFYOZMUJP-UHFFFAOYSA-N 1 0 310.445 3.194 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(C)cc(C)c3)C2)n1 ZINC000106177248 194188626 /nfs/dbraw/zinc/18/86/26/194188626.db2.gz WHQOREQDZHHADO-GOSISDBHSA-N 1 0 312.461 3.424 10 0 DGAERO COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000106615557 194238115 /nfs/dbraw/zinc/23/81/15/194238115.db2.gz CCOAAMAFUQYZGH-MOPGFXCFSA-N 1 0 324.424 3.499 10 0 DGAERO O=C(c1ccc(Cl)cc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073706 183710606 /nfs/dbraw/zinc/71/06/06/183710606.db2.gz JGYZWZVEVIQYGH-UHFFFAOYSA-N 1 0 324.827 3.427 10 0 DGAERO CCC1CCC([NH2+]CC(=O)N2CCc3sccc3C2)CC1 ZINC000049120783 183713632 /nfs/dbraw/zinc/71/36/32/183713632.db2.gz NFDXTGIWPVJCIW-UHFFFAOYSA-N 1 0 306.475 3.191 10 0 DGAERO CC[NH2+][C@@H]1CCN(Cc2cccc(Br)c2)C[C@@H]1C ZINC000049713253 183755254 /nfs/dbraw/zinc/75/52/54/183755254.db2.gz PZOJPLZBXIRRHO-SWLSCSKDSA-N 1 0 311.267 3.269 10 0 DGAERO COC[C@H](C)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000109569937 194274510 /nfs/dbraw/zinc/27/45/10/194274510.db2.gz ORQOAUBIABHEMI-AWEZNQCLSA-N 1 0 315.417 3.472 10 0 DGAERO CCN(CC(C)C)c1ncc(Br)cc1C[NH2+]C ZINC000051440877 183826570 /nfs/dbraw/zinc/82/65/70/183826570.db2.gz BXSLQSNHMOVWGA-UHFFFAOYSA-N 1 0 300.244 3.046 10 0 DGAERO C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000245785699 284844134 /nfs/dbraw/zinc/84/41/34/284844134.db2.gz VVLQRIUMDYFUQJ-KZNAEPCWSA-N 1 0 324.509 3.305 10 0 DGAERO Cc1cccc(NC[C@@H]2CCN(c3ccnc(C(C)C)n3)C2)[nH+]1 ZINC000110417570 194328472 /nfs/dbraw/zinc/32/84/72/194328472.db2.gz OWAVOMPQVLYOQJ-HNNXBMFYSA-N 1 0 311.433 3.242 10 0 DGAERO [NH3+][C@@H](Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000053818147 183913651 /nfs/dbraw/zinc/91/36/51/183913651.db2.gz ANLGVGRVUYQTKD-GFCCVEGCSA-N 1 0 309.182 3.096 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246043675 284863232 /nfs/dbraw/zinc/86/32/32/284863232.db2.gz SIFSEJRDBJNAMM-QLFBSQMISA-N 1 0 324.415 3.161 10 0 DGAERO Cc1csc(C[C@@H]([NH3+])Cc2ccc(Br)cc2)n1 ZINC000055267612 183975076 /nfs/dbraw/zinc/97/50/76/183975076.db2.gz UKFAETYSSLNNGO-LBPRGKRZSA-N 1 0 311.248 3.327 10 0 DGAERO Cc1nc(C[C@H]([NH3+])Cc2cccc(Br)c2)cs1 ZINC000055294707 183977197 /nfs/dbraw/zinc/97/71/97/183977197.db2.gz ORCNYIWCXDSCKR-GFCCVEGCSA-N 1 0 311.248 3.327 10 0 DGAERO COc1ccc(OC)c([C@@H](C[NH3+])Nc2ccc(Cl)cc2)c1 ZINC000057637731 184043465 /nfs/dbraw/zinc/04/34/65/184043465.db2.gz MFGPKQQZCZDECZ-OAHLLOKOSA-N 1 0 306.793 3.469 10 0 DGAERO CCOc1cc(C[NH2+]CC(C)C)cc(Br)c1O ZINC000057901529 184061482 /nfs/dbraw/zinc/06/14/82/184061482.db2.gz DXILFIQSDMQIIG-UHFFFAOYSA-N 1 0 302.212 3.299 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000058525529 184121574 /nfs/dbraw/zinc/12/15/74/184121574.db2.gz TZIUWNRPGKVCMW-SFHVURJKSA-N 1 0 324.424 3.001 10 0 DGAERO CCC[NH2+][C@H](COC)Cc1cc(F)ccc1Br ZINC000060697758 184154468 /nfs/dbraw/zinc/15/44/68/184154468.db2.gz WVWAQXXMOFGAHK-LBPRGKRZSA-N 1 0 304.203 3.145 10 0 DGAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000061294028 184167594 /nfs/dbraw/zinc/16/75/94/184167594.db2.gz FIPSWKAAIKJGSL-UHFFFAOYSA-N 1 0 303.233 3.340 10 0 DGAERO COC(=O)C[C@@H](C)C[C@H]([NH3+])c1ccc(Br)cc1 ZINC000061829947 184188764 /nfs/dbraw/zinc/18/87/64/184188764.db2.gz BYRWXQYNRDAULH-CABZTGNLSA-N 1 0 300.196 3.038 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCCO[C@H](C)C1 ZINC000061913262 184195150 /nfs/dbraw/zinc/19/51/50/184195150.db2.gz AJXCOOPTPKIAEK-SUNKGSAMSA-N 1 0 302.871 3.291 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@H]1COc2ccc(Cl)cc2[C@@H]1O ZINC000062175503 184211448 /nfs/dbraw/zinc/21/14/48/184211448.db2.gz CQVVHMUTJLRXLQ-RDJZCZTQSA-N 1 0 303.789 3.266 10 0 DGAERO CC[NH2+]C[C@]1(Cc2cccc(Br)c2)CCCOC1 ZINC000062193969 184218502 /nfs/dbraw/zinc/21/85/02/184218502.db2.gz UUJDIZYWBPLLFM-OAHLLOKOSA-N 1 0 312.251 3.398 10 0 DGAERO CC[NH2+][C@@H](Cc1cccc(Br)c1)[C@H]1CCCOC1 ZINC000062237847 184223844 /nfs/dbraw/zinc/22/38/44/184223844.db2.gz DTYVVDZCIWCOKH-ZFWWWQNUSA-N 1 0 312.251 3.396 10 0 DGAERO CCC[C@]1(C(=O)N(C)Cc2ccc(Cl)s2)CC[NH2+]C1 ZINC000062894579 184258888 /nfs/dbraw/zinc/25/88/88/184258888.db2.gz MLQXSQBDUZIOFJ-AWEZNQCLSA-N 1 0 300.855 3.140 10 0 DGAERO CC(C)[NH2+][C@H](CCSc1cc(Cl)ccc1Cl)C(N)=O ZINC000062598381 184245057 /nfs/dbraw/zinc/24/50/57/184245057.db2.gz OIKGOFOEQKOJOS-LLVKDONJSA-N 1 0 321.273 3.328 10 0 DGAERO C[NH2+]Cc1cccc(Br)c1OCCc1cccnc1 ZINC000063221686 184279575 /nfs/dbraw/zinc/27/95/75/184279575.db2.gz DOTDMCWRJKCYDW-UHFFFAOYSA-N 1 0 321.218 3.185 10 0 DGAERO [NH3+]Cc1cccc(NC(=O)Cc2cccc(Br)c2)c1 ZINC000063190858 184277152 /nfs/dbraw/zinc/27/71/52/184277152.db2.gz QTUUELHYGFSBRA-UHFFFAOYSA-N 1 0 319.202 3.089 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(COC(C)C)c1 ZINC000064544166 184299372 /nfs/dbraw/zinc/29/93/72/184299372.db2.gz RMBXQNXBCUQVAJ-OAHLLOKOSA-N 1 0 321.465 3.463 10 0 DGAERO Cc1cccc([C@H]2C[C@H]2C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000065565822 184367380 /nfs/dbraw/zinc/36/73/80/184367380.db2.gz IEDFKNPCNUGWQL-RTBURBONSA-N 1 0 314.473 3.430 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000247277301 284953440 /nfs/dbraw/zinc/95/34/40/284953440.db2.gz FSSYUQPFMVYQAY-VHDGCEQUSA-N 1 0 324.415 3.161 10 0 DGAERO C[NH+](C)CCC1CCN(C(=O)c2cccc3ncccc32)CC1 ZINC000112925310 194537130 /nfs/dbraw/zinc/53/71/30/194537130.db2.gz FMEFDRGTDKAUMM-UHFFFAOYSA-N 1 0 311.429 3.039 10 0 DGAERO CN1C(=O)C[C@H]([NH2+][C@H]2CCCSC2)[C@H]1c1ccc(Cl)cc1 ZINC000248385778 284991198 /nfs/dbraw/zinc/99/11/98/284991198.db2.gz JXXTWEOCXAPEST-OFQRWUPVSA-N 1 0 324.877 3.097 10 0 DGAERO Fc1cccc(C[C@H]2CCC[N@@H+]2CCO[C@H]2CCCCO2)c1 ZINC000248541574 285003854 /nfs/dbraw/zinc/00/38/54/285003854.db2.gz BRFSQGJHYDEEQM-MSOLQXFVSA-N 1 0 307.409 3.376 10 0 DGAERO Brc1ccn2cc(C[NH2+]C[C@@H]3C[C@H]3C3CC3)nc2c1 ZINC000449740472 532973358 /nfs/dbraw/zinc/97/33/58/532973358.db2.gz GLWOFESHRIIFFQ-FZMZJTMJSA-N 1 0 320.234 3.233 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)C(F)(F)F ZINC000248591855 285009258 /nfs/dbraw/zinc/00/92/58/285009258.db2.gz ZWIUQBYFSZTJTA-SOUVJXGZSA-N 1 0 301.352 3.301 10 0 DGAERO CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248571856 285006805 /nfs/dbraw/zinc/00/68/05/285006805.db2.gz MIUJZWMJMLNPOV-MJGOQNOKSA-N 1 0 316.489 3.494 10 0 DGAERO Cc1cc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccc1Cl ZINC000248603528 285009871 /nfs/dbraw/zinc/00/98/71/285009871.db2.gz JLGASFGENZHVMG-HIFRSBDPSA-N 1 0 321.852 3.027 10 0 DGAERO CC[N@@H+]1CC[C@H]([NH+](C)CCCOCc2ccccc2)[C@@H](C)C1 ZINC000248606802 285010348 /nfs/dbraw/zinc/01/03/48/285010348.db2.gz WJMYSNKKGGGSFE-HKUYNNGSSA-N 1 0 304.478 3.255 10 0 DGAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248606822 285010384 /nfs/dbraw/zinc/01/03/84/285010384.db2.gz WKBANRQKMPZPLB-COMQUAJESA-N 1 0 320.399 3.202 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(C)C)[C@H]1CCCO1 ZINC000248628278 285011929 /nfs/dbraw/zinc/01/19/29/285011929.db2.gz VSVXUTJPPTTXPP-HHXXYDBFSA-N 1 0 321.461 3.097 10 0 DGAERO CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119013971 194955897 /nfs/dbraw/zinc/95/58/97/194955897.db2.gz RTMRHZZTZWXFSP-ZWKOTPCHSA-N 1 0 312.461 3.498 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)C1CCCC1 ZINC000184632999 252748525 /nfs/dbraw/zinc/74/85/25/252748525.db2.gz CAUUSHQWBLTCBS-AUUYWEPGSA-N 1 0 300.446 3.422 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CCN(C)CC1 ZINC000119713146 195024048 /nfs/dbraw/zinc/02/40/48/195024048.db2.gz HOYOHGDPOJCKBO-CYBMUJFWSA-N 1 0 312.404 3.293 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119987121 195075611 /nfs/dbraw/zinc/07/56/11/195075611.db2.gz UDCGLYKRGYSUCY-ZIAGYGMSSA-N 1 0 311.857 3.109 10 0 DGAERO CN1C[C@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CCC1=O ZINC000119921570 195062134 /nfs/dbraw/zinc/06/21/34/195062134.db2.gz FZWVJORCLXDYFX-GFCCVEGCSA-N 1 0 318.804 3.310 10 0 DGAERO CC1(C)C[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)C(C)(C)O1 ZINC000120015032 195079784 /nfs/dbraw/zinc/07/97/84/195079784.db2.gz VAYPAECIALMRCK-OCCSQVGLSA-N 1 0 323.868 3.249 10 0 DGAERO CCc1oc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1C ZINC000120063877 195090165 /nfs/dbraw/zinc/09/01/65/195090165.db2.gz LPNHDMPUCSSRBB-UHFFFAOYSA-N 1 0 300.402 3.142 10 0 DGAERO CC[C@@H](C)[N@H+](CCO)CCOc1c(Cl)cccc1Cl ZINC000311977803 252908161 /nfs/dbraw/zinc/90/81/61/252908161.db2.gz NZNBRWSDEGWOCT-LLVKDONJSA-N 1 0 306.233 3.465 10 0 DGAERO COC(=O)[C@H](C)[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccccc1 ZINC000249140200 285059224 /nfs/dbraw/zinc/05/92/24/285059224.db2.gz WAEJIYFZJHREND-OLMNPRSZSA-N 1 0 319.445 3.068 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@@H]1C ZINC000249232745 285064608 /nfs/dbraw/zinc/06/46/08/285064608.db2.gz VSGKVQVEAZRDKR-IINYFYTJSA-N 1 0 303.324 3.284 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)CC[C@@H]1C ZINC000249266268 285065125 /nfs/dbraw/zinc/06/51/25/285065125.db2.gz ZNGUVNJPBRMAQR-LIRRHRJNSA-N 1 0 313.445 3.346 10 0 DGAERO COC[C@H](C)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000249176707 285061557 /nfs/dbraw/zinc/06/15/57/285061557.db2.gz FMAMWYDQLFHUNJ-NKZPBKNFSA-N 1 0 318.244 3.166 10 0 DGAERO CCCCO[C@@H]1C[C@H]([NH2+][C@H](COC)C2CCOCC2)C1(C)C ZINC000249190480 285062563 /nfs/dbraw/zinc/06/25/63/285062563.db2.gz NSNAIKVTTQVKJV-IXDOHACOSA-N 1 0 313.482 3.001 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249196337 285062642 /nfs/dbraw/zinc/06/26/42/285062642.db2.gz QYATVQVPXXYUDG-WMLDXEAASA-N 1 0 316.424 3.102 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000249294942 285067445 /nfs/dbraw/zinc/06/74/45/285067445.db2.gz KEMCQTSGZMAMRO-ONERCXAPSA-N 1 0 310.235 3.451 10 0 DGAERO COc1cc(Cl)c(C)cc1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333305398 252948472 /nfs/dbraw/zinc/94/84/72/252948472.db2.gz QUNYCVQKFRKAGC-UHFFFAOYSA-N 1 0 323.824 3.017 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000249276399 285066479 /nfs/dbraw/zinc/06/64/79/285066479.db2.gz DDSCMRNCQCLWRJ-YTQUADARSA-N 1 0 314.473 3.402 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000249508225 285077319 /nfs/dbraw/zinc/07/73/19/285077319.db2.gz LDJXAISIAOVKCO-AHCXZYCDSA-N 1 0 321.509 3.231 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000336784959 253000738 /nfs/dbraw/zinc/00/07/38/253000738.db2.gz ALJRTKSRFWDQEV-ZWNOBZJWSA-N 1 0 316.214 3.229 10 0 DGAERO COc1ccc(C[NH2+]C(C)(C)C(C)(C)O)c(Br)c1 ZINC000336785331 253001074 /nfs/dbraw/zinc/00/10/74/253001074.db2.gz CRFHUCKUQDQABK-UHFFFAOYSA-N 1 0 316.239 3.097 10 0 DGAERO C[C@@H](C1CC1)[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000249707754 285084870 /nfs/dbraw/zinc/08/48/70/285084870.db2.gz BQBLXFVQVGTOPO-WCQYABFASA-N 1 0 318.383 3.050 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000249773029 285088054 /nfs/dbraw/zinc/08/80/54/285088054.db2.gz UHDKJQPCJNCIGJ-CZUORRHYSA-N 1 0 307.413 3.012 10 0 DGAERO COC[C@@H](C)CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000249894288 285090795 /nfs/dbraw/zinc/09/07/95/285090795.db2.gz RGPBAMLWAOZDPP-QWHCGFSZSA-N 1 0 312.479 3.096 10 0 DGAERO CC[C@@H]1CN(C[C@@H](C)c2cccc(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000249773896 285087951 /nfs/dbraw/zinc/08/79/51/285087951.db2.gz JXLXLUKIIZSLJL-RVKKMQEKSA-N 1 0 324.896 3.221 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000250564756 285093822 /nfs/dbraw/zinc/09/38/22/285093822.db2.gz TTZCFUXPSOFKAB-JYJNAYRXSA-N 1 0 306.837 3.044 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC000250564759 285093826 /nfs/dbraw/zinc/09/38/26/285093826.db2.gz TTZCFUXPSOFKAB-XHSDSOJGSA-N 1 0 306.837 3.044 10 0 DGAERO CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1)c1ccccc1 ZINC000251541955 285096537 /nfs/dbraw/zinc/09/65/37/285096537.db2.gz DRQUCYOZBMLYKC-NJAFHUGGSA-N 1 0 318.461 3.001 10 0 DGAERO Cc1nc2[nH]ccc2c(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000337835041 253181939 /nfs/dbraw/zinc/18/19/39/253181939.db2.gz BPXFLESFIUERTF-CZUORRHYSA-N 1 0 321.428 3.341 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1C ZINC000251939375 285100004 /nfs/dbraw/zinc/10/00/04/285100004.db2.gz UNIRKHWJTBOWTD-SWLSCSKDSA-N 1 0 317.351 3.485 10 0 DGAERO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1OCC ZINC000251792297 285098190 /nfs/dbraw/zinc/09/81/90/285098190.db2.gz LYAXMHSDMJVAFO-KSSFIOAISA-N 1 0 307.434 3.341 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000338202069 253241525 /nfs/dbraw/zinc/24/15/25/253241525.db2.gz YVWCZJXFWKQXGJ-OJNOIJSXSA-N 1 0 309.837 3.120 10 0 DGAERO CC(C)C[C@H](CNC(=O)C/C=C\c1ccc(F)cc1)[NH+](C)C ZINC000254928348 285113160 /nfs/dbraw/zinc/11/31/60/285113160.db2.gz XXYKCAAZVZKQAV-KEGWNNHHSA-N 1 0 306.425 3.322 10 0 DGAERO CC[N@H+](CCC(=O)Nc1ccc(F)cc1)CCc1nccs1 ZINC000159170186 197332777 /nfs/dbraw/zinc/33/27/77/197332777.db2.gz MKWIMNOHTWDPTE-UHFFFAOYSA-N 1 0 321.421 3.175 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C/C=C\c1cccc(F)c1 ZINC000255059834 285124904 /nfs/dbraw/zinc/12/49/04/285124904.db2.gz LFNWMWRGSLBFPT-FXIPVCQGSA-N 1 0 318.436 3.466 10 0 DGAERO C[C@@H](CNC(=O)C/C=C\c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000255073369 285126688 /nfs/dbraw/zinc/12/66/88/285126688.db2.gz ARHFTJQFJJVELO-VPIBYOGUSA-N 1 0 318.436 3.466 10 0 DGAERO C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000120258760 195128663 /nfs/dbraw/zinc/12/86/63/195128663.db2.gz LGBXAIBVJNIDHP-CQSZACIVSA-N 1 0 317.477 3.439 10 0 DGAERO CC(C)C[NH+]1CCC(NC(=O)NC/C=C\c2ccccc2)CC1 ZINC000255360907 285149481 /nfs/dbraw/zinc/14/94/81/285149481.db2.gz JFVHHQXVGMIQAV-TWGQIWQCSA-N 1 0 315.461 3.119 10 0 DGAERO C[C@@H](CNC(=O)C/C=C\c1cccc(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000255491240 285157849 /nfs/dbraw/zinc/15/78/49/285157849.db2.gz XTZJORSYJDCPJD-FXIPVCQGSA-N 1 0 318.436 3.466 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC000157890475 197224302 /nfs/dbraw/zinc/22/43/02/197224302.db2.gz CMDMGQQQYYBGTD-JLSDUUJJSA-N 1 0 300.446 3.025 10 0 DGAERO Cc1cc(F)ccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120308166 195140141 /nfs/dbraw/zinc/14/01/41/195140141.db2.gz OJFQFKTUHFTQPG-UHFFFAOYSA-N 1 0 300.381 3.001 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)c2)cn1 ZINC000342822226 254059734 /nfs/dbraw/zinc/05/97/34/254059734.db2.gz KIPKKYHOSFGPDV-JKSUJKDBSA-N 1 0 303.431 3.077 10 0 DGAERO c1cn(-c2csc(C[NH2+][C@@H]3CCOC4(CCC4)C3)c2)cn1 ZINC000344331087 254257864 /nfs/dbraw/zinc/25/78/64/254257864.db2.gz ADTXGRXKSMCTRN-CYBMUJFWSA-N 1 0 303.431 3.125 10 0 DGAERO COc1ccc([C@@H]([NH2+]C[C@@H]2CCCN2C)c2ccccc2)cc1 ZINC000180238934 533131737 /nfs/dbraw/zinc/13/17/37/533131737.db2.gz AMYNAQYMQFQGKI-ICSRJNTNSA-N 1 0 310.441 3.468 10 0 DGAERO CC(C)c1nnc(CN2CC[C@@H](Oc3cccc(Cl)c3)C2)o1 ZINC000120334493 195144375 /nfs/dbraw/zinc/14/43/75/195144375.db2.gz QIAMBGDDHVWIDT-CQSZACIVSA-N 1 0 321.808 3.500 10 0 DGAERO Cc1ccc2cc(CN3CC[NH2+]C[C@H]3c3cccnc3)ccc2n1 ZINC000261819189 285192719 /nfs/dbraw/zinc/19/27/19/285192719.db2.gz IFEWZCHRZGNPIJ-FQEVSTJZSA-N 1 0 318.424 3.085 10 0 DGAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccccc1Cc1ccccc1 ZINC000261820785 285193492 /nfs/dbraw/zinc/19/34/92/285193492.db2.gz NMGBKPQZZVHVCD-NVXWUHKLSA-N 1 0 308.425 3.087 10 0 DGAERO CC1(C)CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c2ccccc21 ZINC000261821409 285193517 /nfs/dbraw/zinc/19/35/17/285193517.db2.gz SRRUCGGUXBMTLZ-CKEIUWERSA-N 1 0 300.446 3.290 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+]CCN2CCCC[C@@H]2C)c1 ZINC000156603289 197126308 /nfs/dbraw/zinc/12/63/08/197126308.db2.gz IJJNVNCGWUCWFP-GJZGRUSLSA-N 1 0 303.450 3.170 10 0 DGAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000155216733 197033351 /nfs/dbraw/zinc/03/33/51/197033351.db2.gz FEEBQFGFSCSEIT-GJZGRUSLSA-N 1 0 324.415 3.277 10 0 DGAERO CC(C)c1nnc(CN2CCC[C@@H](Nc3ccccc3)C2)n1C ZINC000155090119 197020794 /nfs/dbraw/zinc/02/07/94/197020794.db2.gz FPDKRJYRISOREK-MRXNPFEDSA-N 1 0 313.449 3.015 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000120389480 195156413 /nfs/dbraw/zinc/15/64/13/195156413.db2.gz XAUGANAGLPKREL-IAQYHMDHSA-N 1 0 311.376 3.159 10 0 DGAERO CCc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000120402084 195159653 /nfs/dbraw/zinc/15/96/53/195159653.db2.gz VOBCDBYNXPCKFW-YOEHRIQHSA-N 1 0 303.450 3.443 10 0 DGAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000120423932 195164602 /nfs/dbraw/zinc/16/46/02/195164602.db2.gz RZCLQCSLFKXUKY-RHSMWYFYSA-N 1 0 312.413 3.369 10 0 DGAERO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000120447892 195169330 /nfs/dbraw/zinc/16/93/30/195169330.db2.gz OLLBOOQUUGUYII-LBPRGKRZSA-N 1 0 322.412 3.469 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nc(C)nc2scc(C)c21 ZINC000302267165 285278216 /nfs/dbraw/zinc/27/82/16/285278216.db2.gz GGPNTEPSCVOQMA-ZDUSSCGKSA-N 1 0 304.463 3.229 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2cccs2)cc1F ZINC000120903069 195260893 /nfs/dbraw/zinc/26/08/93/195260893.db2.gz SMLNAAPMOJOKGG-DZGCQCFKSA-N 1 0 323.433 3.424 10 0 DGAERO Cc1noc([C@@H]2CCC[N@H+](Cc3ccccc3OC3CC3)C2)n1 ZINC000289994757 221367362 /nfs/dbraw/zinc/36/73/62/221367362.db2.gz KROIRDDYFBIMIL-OAHLLOKOSA-N 1 0 313.401 3.299 10 0 DGAERO c1ccc(C[N@H+]2CCO[C@@H]3[C@H](OCc4cccnc4)CC[C@H]32)cc1 ZINC000247855589 257115721 /nfs/dbraw/zinc/11/57/21/257115721.db2.gz UCZFMYLEMUBIAL-AQNXPRMDSA-N 1 0 324.424 3.030 10 0 DGAERO c1cc(C[N@H+]2CC[C@@H](OCC3CC3)[C@H]2Cc2cccnc2)co1 ZINC000247837253 257116612 /nfs/dbraw/zinc/11/66/12/257116612.db2.gz MPFDUJNMEFCKNM-RTBURBONSA-N 1 0 312.413 3.287 10 0 DGAERO CCc1ccc(C[N@@H+]2CC[C@@H]3C[C@H](c4ccncn4)O[C@H]3C2)cc1 ZINC000253606081 257104779 /nfs/dbraw/zinc/10/47/79/257104779.db2.gz ISWLZMOGDVTAGW-RLLQIKCJSA-N 1 0 323.440 3.391 10 0 DGAERO CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000467365453 274057143 /nfs/dbraw/zinc/05/71/43/274057143.db2.gz JHKCXZDRFJUVHA-ZIBATOQPSA-N 1 0 312.251 3.319 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cncc(F)c1 ZINC000120953121 195270695 /nfs/dbraw/zinc/27/06/95/195270695.db2.gz LOMOXVAYZJUSOO-LBPRGKRZSA-N 1 0 305.372 3.272 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)ccc2F)[C@H](C)C1 ZINC000120950340 195270190 /nfs/dbraw/zinc/27/01/90/195270190.db2.gz LFBDMRXSUCPWMD-MLGOLLRUSA-N 1 0 323.412 3.028 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)NCCC1=CCCC1)c1ccc(F)cc1 ZINC000121122788 195295749 /nfs/dbraw/zinc/29/57/49/195295749.db2.gz UXYVCSCSYPOJMW-QGZVFWFLSA-N 1 0 319.424 3.228 10 0 DGAERO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1C[C@@H]1c1ccco1 ZINC000121529814 195304198 /nfs/dbraw/zinc/30/41/98/195304198.db2.gz MEDVRHAJIZGUTH-OKZBNKHCSA-N 1 0 324.424 3.336 10 0 DGAERO Cc1ccsc1C[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000121951350 195379326 /nfs/dbraw/zinc/37/93/26/195379326.db2.gz CNLSZGPIGUJHLR-OAHLLOKOSA-N 1 0 304.463 3.177 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000123434844 195581633 /nfs/dbraw/zinc/58/16/33/195581633.db2.gz TXDPDFSAFSORLR-QWHCGFSZSA-N 1 0 316.367 3.077 10 0 DGAERO CCc1nc(C)c([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)s1 ZINC000124161802 195610150 /nfs/dbraw/zinc/61/01/50/195610150.db2.gz NNJJAGJOCROMBS-NSHDSACASA-N 1 0 306.479 3.258 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000124212293 195616330 /nfs/dbraw/zinc/61/63/30/195616330.db2.gz RMVQTBKYHOTEBU-SFHVURJKSA-N 1 0 313.445 3.391 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)CNc1c(C)cccc1C ZINC000124608136 195660203 /nfs/dbraw/zinc/66/02/03/195660203.db2.gz UKUFWSUOVGZZTJ-UHFFFAOYSA-N 1 0 311.429 3.464 10 0 DGAERO Cc1ccccc1[C@H](C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000128005690 195928543 /nfs/dbraw/zinc/92/85/43/195928543.db2.gz AEIMGMGQWIXZPK-INIZCTEOSA-N 1 0 310.445 3.447 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449398263 533380414 /nfs/dbraw/zinc/38/04/14/533380414.db2.gz UFCYSECBCUXJDW-NZHZHZHDSA-N 1 0 322.880 3.180 10 0 DGAERO C[C@@H](CCCC[NH3+])Nc1ncc(Cl)cc1Br ZINC000309436558 533541576 /nfs/dbraw/zinc/54/15/76/533541576.db2.gz KNQDPUOLIHDEMN-QMMMGPOBSA-N 1 0 306.635 3.427 10 0 DGAERO c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCOC3(CCCC3)C1)CO2 ZINC000494593607 285506018 /nfs/dbraw/zinc/50/60/18/285506018.db2.gz YKOUPZMAUFWXRC-DLBZAZTESA-N 1 0 301.430 3.462 10 0 DGAERO Nc1c[nH+]c2ccccc2c1N1CCN(c2ccccc2)CC1 ZINC000003632976 400083816 /nfs/dbraw/zinc/08/38/16/400083816.db2.gz QBAKRCCLFFLYCX-UHFFFAOYSA-N 1 0 304.397 3.144 10 0 DGAERO CCOC(=O)C[C@H]([NH3+])c1ccc(Cl)cc1Br ZINC000003678307 400084168 /nfs/dbraw/zinc/08/41/68/400084168.db2.gz JHGMOWMNMVTKBU-JTQLQIEISA-N 1 0 306.587 3.056 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc2ncccc2c1 ZINC000616584480 400177674 /nfs/dbraw/zinc/17/76/74/400177674.db2.gz KBSLFBJZHNXKLS-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1C[C@H](c2cccc3cnccc32)Cc2ccccc21 ZINC000616593932 400179908 /nfs/dbraw/zinc/17/99/08/400179908.db2.gz RLGFNSSPOUUNIY-QGZVFWFLSA-N 1 0 303.409 3.340 10 0 DGAERO CCOC(=O)c1ccc([C@@H]2COCCC[N@@H+]2C(C)(C)C)cc1 ZINC000616596900 400179984 /nfs/dbraw/zinc/17/99/84/400179984.db2.gz JXFQGDQNSHSMKM-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2cc3ccccc3cn2)cc1 ZINC000616636340 400188969 /nfs/dbraw/zinc/18/89/69/400188969.db2.gz JOWMIUUBDFQJPN-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2cncc3ccccc32)cc1 ZINC000616601415 400181132 /nfs/dbraw/zinc/18/11/32/400181132.db2.gz GYZSAWNVNDGOBT-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3nccc4ccccc43)C2)cc1 ZINC000616601781 400181198 /nfs/dbraw/zinc/18/11/98/400181198.db2.gz UJXYJFNDKMQHSG-LJQANCHMSA-N 1 0 303.409 3.381 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3cncc4ccccc43)C2)cc1 ZINC000616601399 400181727 /nfs/dbraw/zinc/18/17/27/400181727.db2.gz GVIUFISHARGSQS-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2COCCC[NH2+]2)c1 ZINC000616601437 400181966 /nfs/dbraw/zinc/18/19/66/400181966.db2.gz CROFTTVEKJTJQV-OAHLLOKOSA-N 1 0 306.406 3.109 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCCN1CC[NH3+] ZINC000616633656 400189058 /nfs/dbraw/zinc/18/90/58/400189058.db2.gz QWDDYVYZJPGDRI-INIZCTEOSA-N 1 0 319.449 3.154 10 0 DGAERO CNc1ccc([C@H]2CCC[N@@H+]2CCNC(=O)OC(C)(C)C)cc1 ZINC000616608248 400183311 /nfs/dbraw/zinc/18/33/11/400183311.db2.gz NTFMAAPLUQKXDO-MRXNPFEDSA-N 1 0 319.449 3.390 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cccc2ncccc21 ZINC000616605202 400183470 /nfs/dbraw/zinc/18/34/70/400183470.db2.gz WPLCAZNFPWOXRU-INIZCTEOSA-N 1 0 313.401 3.116 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1c1ccc(N)cc1 ZINC000616614679 400184707 /nfs/dbraw/zinc/18/47/07/400184707.db2.gz IPMVPWHUQGPMDP-MRXNPFEDSA-N 1 0 319.449 3.321 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000008196759 400120575 /nfs/dbraw/zinc/12/05/75/400120575.db2.gz XGELWVJUTJFZOX-LBPRGKRZSA-N 1 0 320.795 3.446 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1c1ccncc1 ZINC000616614769 400185415 /nfs/dbraw/zinc/18/54/15/400185415.db2.gz LIZPAOJHXNUOKK-OAHLLOKOSA-N 1 0 305.422 3.133 10 0 DGAERO Cc1nc([C@@]2(N)CC[N@@H+](Cc3ccccc3)[C@H]2C)sc1C ZINC000306843297 400127483 /nfs/dbraw/zinc/12/74/83/400127483.db2.gz GEMBUVACVOYISG-WMLDXEAASA-N 1 0 301.459 3.208 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(F)ccc2OC(C)C)C1 ZINC000067307467 400161210 /nfs/dbraw/zinc/16/12/10/400161210.db2.gz KNBYUQFZGBVHLU-CQSZACIVSA-N 1 0 323.412 3.219 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2ccccn2)CC1 ZINC000616628727 400187956 /nfs/dbraw/zinc/18/79/56/400187956.db2.gz QBAXERVWELLBDI-HNNXBMFYSA-N 1 0 319.449 3.176 10 0 DGAERO C[C@@H](CNC(=O)c1c[nH]c2cc(Cl)ccc12)[NH+]1CCCC1 ZINC000588920844 400243927 /nfs/dbraw/zinc/24/39/27/400243927.db2.gz GDMTVUBMYRTMOQ-NSHDSACASA-N 1 0 305.809 3.035 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3ccc4cnccc4c3)C2)cc1 ZINC000616632802 400190031 /nfs/dbraw/zinc/19/00/31/400190031.db2.gz AVFDDCZIJPJEAH-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CCN1CCOC[C@H]1c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000616641121 400191009 /nfs/dbraw/zinc/19/10/09/400191009.db2.gz ALMLLSWFVRQKLO-HNNXBMFYSA-N 1 0 306.406 3.427 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2cnc3ccccc3c2)cc1 ZINC000616637743 400191380 /nfs/dbraw/zinc/19/13/80/400191380.db2.gz YOCFGMNJAAWJLU-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO OCCc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616653315 400194576 /nfs/dbraw/zinc/19/45/76/400194576.db2.gz SDSWSOFCYUQIMC-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO C[N@@H+]1CCOCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000616656728 400194629 /nfs/dbraw/zinc/19/46/29/400194629.db2.gz ZSOPBVJTDPOFMW-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO [NH3+]CCN1C[C@H](c2cc3ccccc3cn2)Cc2ccccc21 ZINC000616672820 400199074 /nfs/dbraw/zinc/19/90/74/400199074.db2.gz NJQCEVSCHBJCPY-GOSISDBHSA-N 1 0 303.409 3.340 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc2cnccc2c1 ZINC000616678661 400200418 /nfs/dbraw/zinc/20/04/18/400200418.db2.gz KZSQGMNPEOWKIW-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1ccnc2ccccc21 ZINC000616678970 400200514 /nfs/dbraw/zinc/20/05/14/400200514.db2.gz QKSQCADCIXIOPQ-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO CC(C)[C@H](C)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067772894 400202031 /nfs/dbraw/zinc/20/20/31/400202031.db2.gz DYMZJLWHKLOZFT-INIZCTEOSA-N 1 0 317.477 3.242 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccc2ccccc2n1 ZINC000616691061 400205767 /nfs/dbraw/zinc/20/57/67/400205767.db2.gz DTJMFZCWAXGLRT-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO CCc1nn(C)c(OC)c1CNc1cc[nH+]c2c(C)cccc12 ZINC000092962102 400216332 /nfs/dbraw/zinc/21/63/32/400216332.db2.gz IRXCGLBHJNOKRG-UHFFFAOYSA-N 1 0 310.401 3.460 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNCc1ccsc1Br ZINC000388970853 400267792 /nfs/dbraw/zinc/26/77/92/400267792.db2.gz JZTJZDYLKZPRPJ-JTQLQIEISA-N 1 0 305.285 3.331 10 0 DGAERO C[C@@H]([NH2+]CCOCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000390233779 400271185 /nfs/dbraw/zinc/27/11/85/400271185.db2.gz JIAQJGHLFRFTRP-CQSZACIVSA-N 1 0 300.358 3.462 10 0 DGAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])CC[C@@H]2C(F)(F)F)cc1Cl ZINC000393281040 400278013 /nfs/dbraw/zinc/27/80/13/400278013.db2.gz YIMCSZCDHABFCR-ZYHUDNBSSA-N 1 0 320.742 3.143 10 0 DGAERO C[C@]1(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCS1 ZINC000392896289 400278105 /nfs/dbraw/zinc/27/81/05/400278105.db2.gz LTCIIULRKOHCCO-ZWKOTPCHSA-N 1 0 304.503 3.384 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000398005142 400286684 /nfs/dbraw/zinc/28/66/84/400286684.db2.gz YPWNHWKDYBLUMT-FTWQHDNSSA-N 1 0 312.457 3.059 10 0 DGAERO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccnc(C#N)c1 ZINC000398186714 400287191 /nfs/dbraw/zinc/28/71/91/400287191.db2.gz LOGNAPIWNFJWHV-HXUWFJFHSA-N 1 0 322.456 3.199 10 0 DGAERO CC(C)(C)OC(=O)N([C@@H](C(=[NH2+])NO)c1cccc(F)c1)C1CC1 ZINC000409437935 400301427 /nfs/dbraw/zinc/30/14/27/400301427.db2.gz BJSGAVCCZVOXAA-CYBMUJFWSA-N 1 0 323.368 3.222 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C)cc2)s1 ZINC000102773665 400303205 /nfs/dbraw/zinc/30/32/05/400303205.db2.gz WPWGFQWIRRSDOC-OAHLLOKOSA-N 1 0 305.443 3.237 10 0 DGAERO C/C=C/C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000385019919 400261126 /nfs/dbraw/zinc/26/11/26/400261126.db2.gz OJGCRNGKEINEFA-SNAWJCMRSA-N 1 0 300.196 3.132 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cnccc1C)c1ccccc1 ZINC000611405661 400394514 /nfs/dbraw/zinc/39/45/14/400394514.db2.gz HHUXRFLNDLXWFI-KRWDZBQOSA-N 1 0 312.413 3.420 10 0 DGAERO COC(=O)c1cccc(COc2ccc3[nH]cc(CC[NH3+])c3c2)c1 ZINC000034537354 400385153 /nfs/dbraw/zinc/38/51/53/400385153.db2.gz UBSKZUMAMZQYQA-UHFFFAOYSA-N 1 0 324.380 3.035 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]CCCOC(C)C)c1ccccc1 ZINC000611405772 400394676 /nfs/dbraw/zinc/39/46/76/400394676.db2.gz QCOHTQHVMGKOTN-INIZCTEOSA-N 1 0 307.434 3.332 10 0 DGAERO OCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccnc1Cl ZINC000114709298 400388573 /nfs/dbraw/zinc/38/85/73/400388573.db2.gz PGKILIFZPJTCQM-WBVHZDCISA-N 1 0 316.832 3.333 10 0 DGAERO OCC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccnc1Cl ZINC000114709300 400389099 /nfs/dbraw/zinc/38/90/99/400389099.db2.gz PGKILIFZPJTCQM-RDJZCZTQSA-N 1 0 316.832 3.333 10 0 DGAERO C[C@H](c1nc(C(C)(C)C)no1)N(C)CCN(C)c1ccccc1 ZINC000107683427 400336696 /nfs/dbraw/zinc/33/66/96/400336696.db2.gz JMVICQJWHQWYOE-CQSZACIVSA-N 1 0 316.449 3.496 10 0 DGAERO [NH3+]Cc1ccc(-c2ccccc2I)s1 ZINC000036927857 400392911 /nfs/dbraw/zinc/39/29/11/400392911.db2.gz WSFCXKWXBZKWEX-UHFFFAOYSA-N 1 0 315.179 3.478 10 0 DGAERO Cc1ccc(C(C)C)cc1OCC(=O)N(C)CC[NH+]1CCCC1 ZINC000110914593 400360238 /nfs/dbraw/zinc/36/02/38/400360238.db2.gz MFJXPNJXXJESEF-UHFFFAOYSA-N 1 0 318.461 3.051 10 0 DGAERO O[C@@H](C[NH2+]Cc1ccccc1)c1ccc(Br)cc1 ZINC000032204739 400360757 /nfs/dbraw/zinc/36/07/57/400360757.db2.gz GZFWXAXTKVREAA-HNNXBMFYSA-N 1 0 306.203 3.272 10 0 DGAERO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(C)(C)C ZINC000112429768 400373042 /nfs/dbraw/zinc/37/30/42/400373042.db2.gz CLAGYZMEKDVDAW-ZIAGYGMSSA-N 1 0 307.438 3.150 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)NC/C=C/c2ccccc2)CC1 ZINC000112747364 400376663 /nfs/dbraw/zinc/37/66/63/400376663.db2.gz WSDHPPCXFWBWAU-JXMROGBWSA-N 1 0 315.461 3.264 10 0 DGAERO CC(C)[C@H](CC1CCCCC1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116788877 400413290 /nfs/dbraw/zinc/41/32/90/400413290.db2.gz RPQIBLKKUHVEEL-MSOLQXFVSA-N 1 0 324.509 3.018 10 0 DGAERO CC(C)CCN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115695192 400400304 /nfs/dbraw/zinc/40/03/04/400400304.db2.gz JJSULOMBAWIMAA-UHFFFAOYSA-N 1 0 309.429 3.075 10 0 DGAERO CC(C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000041111059 400402953 /nfs/dbraw/zinc/40/29/53/400402953.db2.gz KFZSQGPWTIKIDR-PBHICJAKSA-N 1 0 306.425 3.166 10 0 DGAERO Cc1nc([C@@]2(N)CCC[N@H+](Cc3ccccc3)C2)sc1C ZINC000041182565 400404236 /nfs/dbraw/zinc/40/42/36/400404236.db2.gz UMBKJIRYNXUVOR-QGZVFWFLSA-N 1 0 301.459 3.210 10 0 DGAERO CCC[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590844931 400446433 /nfs/dbraw/zinc/44/64/33/400446433.db2.gz JILLXTRVMADKLG-SJORKVTESA-N 1 0 309.498 3.473 10 0 DGAERO CCC[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590844927 400446222 /nfs/dbraw/zinc/44/62/22/400446222.db2.gz JILLXTRVMADKLG-IAGOWNOFSA-N 1 0 309.498 3.473 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000590862161 400449853 /nfs/dbraw/zinc/44/98/53/400449853.db2.gz UGZGOVANADDBBK-DLBZAZTESA-N 1 0 321.509 3.330 10 0 DGAERO C[C@@H]([NH2+]Cc1nc(COc2ccc(F)cc2)no1)C(C)(C)C ZINC000121530811 400455897 /nfs/dbraw/zinc/45/58/97/400455897.db2.gz SULSHWPPJRUCKD-LLVKDONJSA-N 1 0 307.369 3.312 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C)CC1 ZINC000043180141 400457816 /nfs/dbraw/zinc/45/78/16/400457816.db2.gz PTGCYUTZFFUKGY-GFCCVEGCSA-N 1 0 309.841 3.137 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)C(C)(C)C ZINC000074318577 400504594 /nfs/dbraw/zinc/50/45/94/400504594.db2.gz JIEMJZLWWKPWLR-SNVBAGLBSA-N 1 0 300.349 3.251 10 0 DGAERO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000043588621 400472578 /nfs/dbraw/zinc/47/25/78/400472578.db2.gz VEOXRFIVGPVBIR-QWRGUYRKSA-N 1 0 300.855 3.359 10 0 DGAERO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000125877185 400486807 /nfs/dbraw/zinc/48/68/07/400486807.db2.gz RBUQBEZCRXQNSS-MRXNPFEDSA-N 1 0 321.428 3.054 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)Cn1ccc2ccccc21)c1ccccc1 ZINC000126554334 400493493 /nfs/dbraw/zinc/49/34/93/400493493.db2.gz JBGJQHNJBTYDJW-GOSISDBHSA-N 1 0 321.424 3.060 10 0 DGAERO CSCCCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000128990296 400520662 /nfs/dbraw/zinc/52/06/62/400520662.db2.gz LFQADUWOHLKYHX-INIZCTEOSA-N 1 0 306.475 3.083 10 0 DGAERO C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000074792596 400537258 /nfs/dbraw/zinc/53/72/58/400537258.db2.gz MGSNSCNUXPOACF-HNSVSWJLSA-N 1 0 313.445 3.335 10 0 DGAERO CC[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)c1nccs1 ZINC000130643486 400541864 /nfs/dbraw/zinc/54/18/64/400541864.db2.gz PWZDQOQRQOXUDT-KBPBESRZSA-N 1 0 303.431 3.013 10 0 DGAERO c1ccc(COc2ccnc(N3CCc4c[nH+]ccc43)n2)cc1 ZINC000131150388 400546980 /nfs/dbraw/zinc/54/69/80/400546980.db2.gz AKZFPCWDSAJVIK-UHFFFAOYSA-N 1 0 304.353 3.145 10 0 DGAERO COc1ccccc1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000075134369 400562392 /nfs/dbraw/zinc/56/23/92/400562392.db2.gz GQDYNYMWPVYSDA-HNNXBMFYSA-N 1 0 317.433 3.177 10 0 DGAERO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@H+](CCc2ccccc2F)C1 ZINC000137622314 400595696 /nfs/dbraw/zinc/59/56/96/400595696.db2.gz XECAZJSXDMAZMI-KBXCAEBGSA-N 1 0 321.342 3.454 10 0 DGAERO c1ccc(-c2nc(NC3CC[NH2+]CC3)nc3ccccc32)cc1 ZINC000139833878 400612453 /nfs/dbraw/zinc/61/24/53/400612453.db2.gz QJJRVFAVKDCJBV-UHFFFAOYSA-N 1 0 304.397 3.461 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000076483470 400657858 /nfs/dbraw/zinc/65/78/58/400657858.db2.gz LOKFSARCXORPLV-UKRRQHHQSA-N 1 0 320.502 3.429 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)COCc2ccco2)cc1 ZINC000151135814 400670474 /nfs/dbraw/zinc/67/04/74/400670474.db2.gz CNZSHUOVXNOMAO-AEFFLSMTSA-N 1 0 317.429 3.029 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)c2cccc(C)c2)C1 ZINC000152427845 400679124 /nfs/dbraw/zinc/67/91/24/400679124.db2.gz LALKZNKBBSAEGQ-INIZCTEOSA-N 1 0 303.450 3.014 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000153831526 400689780 /nfs/dbraw/zinc/68/97/80/400689780.db2.gz LPAABCGQCHRXRT-CEXWTWQISA-N 1 0 314.473 3.466 10 0 DGAERO CC[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CCN1CCOC ZINC000157954096 400721796 /nfs/dbraw/zinc/72/17/96/400721796.db2.gz AIMJGVDMDYSXGS-SFHVURJKSA-N 1 0 324.896 3.315 10 0 DGAERO CC(C)CCn1cccc1C[NH2+]Cc1cccnc1N(C)C ZINC000161641177 400741194 /nfs/dbraw/zinc/74/11/94/400741194.db2.gz PNBDWDYDAYBXHK-UHFFFAOYSA-N 1 0 300.450 3.285 10 0 DGAERO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000052659178 400742897 /nfs/dbraw/zinc/74/28/97/400742897.db2.gz QBTTVVAYOIGNLS-KGLIPLIRSA-N 1 0 319.449 3.083 10 0 DGAERO C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC1CC1 ZINC000051423350 400702524 /nfs/dbraw/zinc/70/25/24/400702524.db2.gz XKXAEGDLNDHAPF-LLVKDONJSA-N 1 0 304.217 3.075 10 0 DGAERO Cc1ccc(SCC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000169345722 400757660 /nfs/dbraw/zinc/75/76/60/400757660.db2.gz ZMNGWLNPYROVRI-INIZCTEOSA-N 1 0 317.454 3.117 10 0 DGAERO Cc1ccccc1OC[C@@H](O)C[NH2+]CCSc1ccccc1 ZINC000169345705 400757765 /nfs/dbraw/zinc/75/77/65/400757765.db2.gz MYBBSSHHLWNUEU-INIZCTEOSA-N 1 0 317.454 3.117 10 0 DGAERO Cc1cc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c(C)[nH]1 ZINC000593131971 400771737 /nfs/dbraw/zinc/77/17/37/400771737.db2.gz VQKIMLBECDHCIT-UHFFFAOYSA-N 1 0 315.417 3.214 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000170826290 400776941 /nfs/dbraw/zinc/77/69/41/400776941.db2.gz FRGJFKAHJRQDFJ-HZPDHXFCSA-N 1 0 321.852 3.137 10 0 DGAERO Cc1cc(O[C@@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1C(C)C ZINC000170865457 400777663 /nfs/dbraw/zinc/77/76/63/400777663.db2.gz ANWRCKMPDKMFLC-HOTGVXAUSA-N 1 0 318.461 3.048 10 0 DGAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(C)n1C1CCCCC1 ZINC000170857323 400778159 /nfs/dbraw/zinc/77/81/59/400778159.db2.gz KXDREQDSWXISKE-KRWDZBQOSA-N 1 0 317.477 3.386 10 0 DGAERO COc1ccc(CCC[N@H+](C)Cc2cn3ccsc3n2)cc1 ZINC000171079383 400785248 /nfs/dbraw/zinc/78/52/48/400785248.db2.gz IOQUHGOUCQFZFY-UHFFFAOYSA-N 1 0 315.442 3.469 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000171174143 400788628 /nfs/dbraw/zinc/78/86/28/400788628.db2.gz JHJHBRIURZFLEL-CYBMUJFWSA-N 1 0 317.433 3.142 10 0 DGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCC2CC2)C1 ZINC000605606996 400880299 /nfs/dbraw/zinc/88/02/99/400880299.db2.gz XKWDKHVPZZZHCT-OAHLLOKOSA-N 1 0 309.498 3.376 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000172359752 400822869 /nfs/dbraw/zinc/82/28/69/400822869.db2.gz UAEKHPRVRPKCRE-GJZGRUSLSA-N 1 0 307.438 3.008 10 0 DGAERO CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172392578 400823786 /nfs/dbraw/zinc/82/37/86/400823786.db2.gz LMJFQZUAFJSRHT-MOPGFXCFSA-N 1 0 314.473 3.198 10 0 DGAERO CN(Cc1csc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172584981 400834756 /nfs/dbraw/zinc/83/47/56/400834756.db2.gz WPYCHIYWKORWHT-LLVKDONJSA-N 1 0 317.296 3.284 10 0 DGAERO CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000619510966 400858982 /nfs/dbraw/zinc/85/89/82/400858982.db2.gz JAIWDKGYQPRURI-JKSUJKDBSA-N 1 0 313.482 3.227 10 0 DGAERO CC(C)[C@H]1CN(c2nc3ccccc3nc2C(F)(F)F)CC[NH2+]1 ZINC000217831410 400950806 /nfs/dbraw/zinc/95/08/06/400950806.db2.gz YSRQRGFQCGGLQN-CYBMUJFWSA-N 1 0 324.350 3.083 10 0 DGAERO CCc1nc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)sc1C ZINC000181994766 400891255 /nfs/dbraw/zinc/89/12/55/400891255.db2.gz NCXQNIRUAILDER-QWHCGFSZSA-N 1 0 322.478 3.104 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCCc2occc21 ZINC000193059691 400916446 /nfs/dbraw/zinc/91/64/46/400916446.db2.gz OYDQWDMQNBKCBJ-GUYCJALGSA-N 1 0 323.396 3.045 10 0 DGAERO Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])sc1C ZINC000227720884 400963477 /nfs/dbraw/zinc/96/34/77/400963477.db2.gz BYORGGWUQCZVIZ-HNNXBMFYSA-N 1 0 300.427 3.063 10 0 DGAERO [NH3+]C[C@@H]1C[C@@H]1c1ccc(Br)c(Br)c1 ZINC000236173617 400977981 /nfs/dbraw/zinc/97/79/81/400977981.db2.gz DBVJHZLYECSIEG-JGVFFNPUSA-N 1 0 305.013 3.274 10 0 DGAERO [NH3+]CCC1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000236169200 400978523 /nfs/dbraw/zinc/97/85/23/400978523.db2.gz JZQYNVXDHQLONV-UHFFFAOYSA-N 1 0 318.646 3.063 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000247380170 401053592 /nfs/dbraw/zinc/05/35/92/401053592.db2.gz LJGSXAMALNWGHE-IJEWVQPXSA-N 1 0 324.415 3.161 10 0 DGAERO c1cc(-c2ccc(N3CCCC3)nc2)cc([C@H]2COCC[NH2+]2)c1 ZINC000629709780 401054094 /nfs/dbraw/zinc/05/40/94/401054094.db2.gz KTOIEDKWVGRMET-GOSISDBHSA-N 1 0 309.413 3.010 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247465248 401055418 /nfs/dbraw/zinc/05/54/18/401055418.db2.gz RKTTZJRUFJCBHT-YOEHRIQHSA-N 1 0 322.880 3.461 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2CCc3ccccc32)[C@H]1c1ccccc1 ZINC000248055236 401065424 /nfs/dbraw/zinc/06/54/24/401065424.db2.gz OJOBCBXHAWOXQV-PKOBYXMFSA-N 1 0 321.424 3.204 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@H]3CCCC[C@@H]3C)CC2)nn1 ZINC000248441442 401070882 /nfs/dbraw/zinc/07/08/82/401070882.db2.gz AAPGKFFFVWLEKA-DOTOQJQBSA-N 1 0 302.466 3.123 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1Cl ZINC000246376296 401028272 /nfs/dbraw/zinc/02/82/72/401028272.db2.gz HCQBJFUUIUXHBX-KBPBESRZSA-N 1 0 321.852 3.281 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000247166160 401047320 /nfs/dbraw/zinc/04/73/20/401047320.db2.gz ZTQPKHFIRBBSOU-LZQZEXGQSA-N 1 0 314.473 3.372 10 0 DGAERO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249326750 401083427 /nfs/dbraw/zinc/08/34/27/401083427.db2.gz ULPNXMOPNBYXRP-AAVRWANBSA-N 1 0 320.399 3.439 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000255428836 401105119 /nfs/dbraw/zinc/10/51/19/401105119.db2.gz VZDSVUAXPBIZTC-QMJOVRGKSA-N 1 0 310.445 3.082 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1C ZINC000262445084 401116768 /nfs/dbraw/zinc/11/67/68/401116768.db2.gz CHGMTTZDBSTCQY-ONIAQPFYSA-N 1 0 300.446 3.401 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1F ZINC000262532328 401117772 /nfs/dbraw/zinc/11/77/72/401117772.db2.gz OGVQSLKREYYXKI-XYPHTWIQSA-N 1 0 318.436 3.140 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262495338 401118219 /nfs/dbraw/zinc/11/82/19/401118219.db2.gz ZBPUSIRYZCMTJG-XWJBARJFSA-N 1 0 300.446 3.216 10 0 DGAERO CCS[C@@H]1CCCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262472806 401118344 /nfs/dbraw/zinc/11/83/44/401118344.db2.gz OPZCQDMBACGCIC-WCVJEAGWSA-N 1 0 310.507 3.041 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000607924313 401151203 /nfs/dbraw/zinc/15/12/03/401151203.db2.gz MGXCOCZGPRQSKT-IAGOWNOFSA-N 1 0 306.494 3.463 10 0 DGAERO c1ccc2c(c1)OCCC[C@H]2[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358236604 286007102 /nfs/dbraw/zinc/00/71/02/286007102.db2.gz AKBZNZAZULNGSU-QGZVFWFLSA-N 1 0 309.413 3.400 10 0 DGAERO CC1(C)C[C@@H]([NH2+]CC[C@H]2COc3ccccc3O2)C(C)(C)O1 ZINC000358287142 286020913 /nfs/dbraw/zinc/02/09/13/286020913.db2.gz IVRXMMCVYQOEOT-XJKSGUPXSA-N 1 0 305.418 3.152 10 0 DGAERO COc1nsc(C[NH2+][C@]2(C)CC2(C)C)c1Br ZINC000630075328 401178384 /nfs/dbraw/zinc/17/83/84/401178384.db2.gz XQPPLKPITOWCNZ-LLVKDONJSA-N 1 0 305.241 3.192 10 0 DGAERO COc1nsc(C[NH2+][C@@H](C(C)C)C2CC2)c1Br ZINC000630073678 401176422 /nfs/dbraw/zinc/17/64/22/401176422.db2.gz AGEKZCQJLVYEAI-NSHDSACASA-N 1 0 319.268 3.438 10 0 DGAERO c1cnnc(Oc2ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000621388635 401195259 /nfs/dbraw/zinc/19/52/59/401195259.db2.gz DFXVVWAFZUJVNL-HZPDHXFCSA-N 1 0 310.401 3.308 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CC=CCC1)COc1c(Cl)cccc1Cl ZINC000088748461 401208270 /nfs/dbraw/zinc/20/82/70/401208270.db2.gz CLBVVHPWPOPKIO-NEPJUHHUSA-N 1 0 316.228 3.431 10 0 DGAERO [NH3+]C[C@H](NC(=O)c1cscc1C(F)(F)F)C1CCCC1 ZINC000621663832 401272035 /nfs/dbraw/zinc/27/20/35/401272035.db2.gz BPPRQMDQFSFLNK-NSHDSACASA-N 1 0 306.353 3.014 10 0 DGAERO c1ccc(N2CCC([NH2+][C@H](c3cccnc3)C3CC3)CC2)nc1 ZINC000358346274 286038153 /nfs/dbraw/zinc/03/81/53/286038153.db2.gz BNUFZGJOZHRNCE-IBGZPJMESA-N 1 0 308.429 3.186 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc(Br)cn1 ZINC000634686779 401335286 /nfs/dbraw/zinc/33/52/86/401335286.db2.gz RWZGWFGZEVZVJO-PWSUYJOCSA-N 1 0 313.239 3.310 10 0 DGAERO CC(=O)c1ccccc1OCCN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000634689757 401335674 /nfs/dbraw/zinc/33/56/74/401335674.db2.gz WDMDUAFQEBGQDG-INIZCTEOSA-N 1 0 324.424 3.221 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736685 401343239 /nfs/dbraw/zinc/34/32/39/401343239.db2.gz WHOIEJBXAPIYQA-NHYWBVRUSA-N 1 0 323.234 3.086 10 0 DGAERO CCOCCC1(C[NH2+][C@@H](C)C2(OC)CCOCC2)CCCC1 ZINC000453145212 286048167 /nfs/dbraw/zinc/04/81/67/286048167.db2.gz RWUPLOJQTOFHFI-INIZCTEOSA-N 1 0 313.482 3.147 10 0 DGAERO C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000630582133 401291797 /nfs/dbraw/zinc/29/17/97/401291797.db2.gz QTUZXSJSIFWZJX-IUCAKERBSA-N 1 0 302.205 3.052 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000621742174 401292090 /nfs/dbraw/zinc/29/20/90/401292090.db2.gz FLFXSDUPALWQQF-USXIJHARSA-N 1 0 306.837 3.187 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CCc2ccsc2)c2ccccc21 ZINC000621750197 401294440 /nfs/dbraw/zinc/29/44/40/401294440.db2.gz KOXBTNVMCYSGMJ-INIZCTEOSA-N 1 0 300.427 3.378 10 0 DGAERO c1cc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)n(CC2CCC2)n1 ZINC000631168790 401414258 /nfs/dbraw/zinc/41/42/58/401414258.db2.gz KFVYOEMGMPQLSD-QZTJIDSGSA-N 1 0 303.450 3.121 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000634952051 401387277 /nfs/dbraw/zinc/38/72/77/401387277.db2.gz NVTXXRQMVFBZJT-CABCVRRESA-N 1 0 315.866 3.348 10 0 DGAERO O=S1(=O)CCC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000634957151 401388842 /nfs/dbraw/zinc/38/88/42/401388842.db2.gz DPRSIODJZVTRBI-LLVKDONJSA-N 1 0 322.257 3.050 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1c(F)cccc1Cl ZINC000634967437 401391023 /nfs/dbraw/zinc/39/10/23/401391023.db2.gz OMGYNTWWHDSIQP-MNOVXSKESA-N 1 0 319.829 3.097 10 0 DGAERO c1ccc([C@H]([NH2+]Cc2ccc3nccnc3c2)[C@@H]2CCOC2)cc1 ZINC000634974703 401392677 /nfs/dbraw/zinc/39/26/77/401392677.db2.gz IOUUSIBZOCRVOA-XLIONFOSSA-N 1 0 319.408 3.497 10 0 DGAERO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634979869 401394332 /nfs/dbraw/zinc/39/43/32/401394332.db2.gz QJGGLXAYIBNJHH-TZMCWYRMSA-N 1 0 313.488 3.026 10 0 DGAERO Brc1ccccc1[C@H]1CCCN1CC12CC(C1)C[NH2+]2 ZINC000634994784 401397642 /nfs/dbraw/zinc/39/76/42/401397642.db2.gz MSJOITBMVXLHPB-DSSZZKGTSA-N 1 0 321.262 3.338 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3ccccn3)[C@H]21 ZINC000631191338 401420914 /nfs/dbraw/zinc/42/09/14/401420914.db2.gz GDPUGGQEKJZPEG-IMJJTQAJSA-N 1 0 315.214 3.272 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3ccncc3)[C@H]21 ZINC000631192423 401422172 /nfs/dbraw/zinc/42/21/72/401422172.db2.gz LCEXWRUWIQHUSS-IMJJTQAJSA-N 1 0 315.214 3.272 10 0 DGAERO O[C@H](CC[NH2+]Cc1cc(Cl)ccc1OC(F)F)C(F)F ZINC000631217610 401428944 /nfs/dbraw/zinc/42/89/44/401428944.db2.gz WEFFHLWBEFZZSB-SECBINFHSA-N 1 0 315.694 3.047 10 0 DGAERO c1ccc2c(c1)OCC[C@H]2C[NH2+]Cc1cccc2c1CCOC2 ZINC000631244218 401435705 /nfs/dbraw/zinc/43/57/05/401435705.db2.gz NYSVECZKIMXONC-INIZCTEOSA-N 1 0 309.409 3.415 10 0 DGAERO c1cc(N2CCCC2)ncc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000631255388 401439152 /nfs/dbraw/zinc/43/91/52/401439152.db2.gz PWCJSCBEUNLZDI-MJGOQNOKSA-N 1 0 315.461 3.119 10 0 DGAERO C/C(=C/c1ccccc1)CN(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627129714 401447065 /nfs/dbraw/zinc/44/70/65/401447065.db2.gz RBNDEZMUDJIBQS-REZBVGGZSA-N 1 0 313.445 3.016 10 0 DGAERO Fc1cc(Br)cc(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000093981915 545859829 /nfs/dbraw/zinc/85/98/29/545859829.db2.gz XRHIRLOWJQTNRR-CYBMUJFWSA-N 1 0 302.187 3.247 10 0 DGAERO c1ccc([C@@H]2CC[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)O2)cc1 ZINC000631628814 401518502 /nfs/dbraw/zinc/51/85/02/401518502.db2.gz LJSQJRHBUBVSLK-BCYZHJNNSA-N 1 0 313.441 3.454 10 0 DGAERO c1cncc([C@H]2C[C@H]([NH2+][C@@H]3CCCc4ncccc43)CCO2)c1 ZINC000631642620 401522263 /nfs/dbraw/zinc/52/22/63/401522263.db2.gz PINCTIKBRZUGRI-ATZDWAIDSA-N 1 0 309.413 3.364 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@@H]3CCSC3)[C@H]21 ZINC000631663212 401528501 /nfs/dbraw/zinc/52/85/01/401528501.db2.gz WHDVOFBVRMFSEX-VAYSNVFOSA-N 1 0 310.260 3.182 10 0 DGAERO COC[C@@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)OC ZINC000358437183 286062507 /nfs/dbraw/zinc/06/25/07/286062507.db2.gz FDAUHNRQELUNNF-CABCVRRESA-N 1 0 317.351 3.408 10 0 DGAERO Brc1ccccc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886602 401563883 /nfs/dbraw/zinc/56/38/83/401563883.db2.gz KUBZLAJQYOYJQG-WFASDCNBSA-N 1 0 309.251 3.023 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000623822290 401583406 /nfs/dbraw/zinc/58/34/06/401583406.db2.gz BVMUGKRTJRZYRQ-WVSHTKLVSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1nn(C)c(C[NH2+]C[C@@H]2CCCC23CC3)c1Br ZINC000623825467 401584166 /nfs/dbraw/zinc/58/41/66/401584166.db2.gz CQYFHVWBCCXWGQ-NSHDSACASA-N 1 0 312.255 3.161 10 0 DGAERO c1cc(O[C@H]2CCOC2)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000628423494 401595053 /nfs/dbraw/zinc/59/50/53/401595053.db2.gz XGTUUBRGILUHSX-KSZLIROESA-N 1 0 319.470 3.324 10 0 DGAERO O[C@@H](CC[NH2+][C@H]1CCc2ccc(Br)cc21)C(F)F ZINC000631702712 401540336 /nfs/dbraw/zinc/54/03/36/401540336.db2.gz RUGYFKHEIDAVPH-RYUDHWBXSA-N 1 0 320.177 3.042 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Br)cs1 ZINC000631703582 401540824 /nfs/dbraw/zinc/54/08/24/401540824.db2.gz UBPANFZUNFVRHM-HTRCEHHLSA-N 1 0 314.195 3.177 10 0 DGAERO O[C@@H](CC[NH2+][C@H]1CCc2c1cccc2Br)C(F)F ZINC000631703671 401541125 /nfs/dbraw/zinc/54/11/25/401541125.db2.gz UULNAKSARZTYPF-RYUDHWBXSA-N 1 0 320.177 3.042 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c2c(c1)COCC2 ZINC000631729092 401545580 /nfs/dbraw/zinc/54/55/80/401545580.db2.gz GTWVOIBRUGKINB-MISYRCLQSA-N 1 0 315.457 3.444 10 0 DGAERO FC1(F)C[C@H]1OCC[NH2+]Cc1ccsc1Br ZINC000623564691 401547683 /nfs/dbraw/zinc/54/76/83/401547683.db2.gz NQWHCGPCHNRHNP-MRVPVSSYSA-N 1 0 312.179 3.024 10 0 DGAERO c1cn(-c2ccccc2)nc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623602582 401553967 /nfs/dbraw/zinc/55/39/67/401553967.db2.gz WTOMEHBFBYUCKQ-FQEVSTJZSA-N 1 0 319.408 3.103 10 0 DGAERO Cc1nc(C)c(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)o1 ZINC000628242132 401558849 /nfs/dbraw/zinc/55/88/49/401558849.db2.gz SQGYUILYOBCUBF-LJQANCHMSA-N 1 0 313.445 3.436 10 0 DGAERO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cncc(Br)c1 ZINC000624224216 401641154 /nfs/dbraw/zinc/64/11/54/401641154.db2.gz QASYIJCANOPUEU-QCZZGDTMSA-N 1 0 311.223 3.062 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1Cl ZINC000624235649 401642633 /nfs/dbraw/zinc/64/26/33/401642633.db2.gz NQMWUWJLWZETRL-MJBXVCDLSA-N 1 0 304.217 3.184 10 0 DGAERO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCCN2CCOCC2)o1 ZINC000358496782 286077774 /nfs/dbraw/zinc/07/77/74/286077774.db2.gz WMPFVVBVNIBGKW-AEFFLSMTSA-N 1 0 320.477 3.337 10 0 DGAERO c1nc(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)cs1 ZINC000624476075 401664142 /nfs/dbraw/zinc/66/41/42/401664142.db2.gz QPRHSOHTDUPQNV-HNNXBMFYSA-N 1 0 322.437 3.247 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncc(C)cc1Br ZINC000097846456 545865258 /nfs/dbraw/zinc/86/52/58/545865258.db2.gz TYUVCCDABCGHDG-LBPRGKRZSA-N 1 0 312.255 3.073 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccccc2)C[C@H]1C ZINC000358788189 286154414 /nfs/dbraw/zinc/15/44/14/286154414.db2.gz MUBNNDINZDJITK-JZXOWHBKSA-N 1 0 302.462 3.196 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NCCc2sccc2C)CC1 ZINC000358817365 286160853 /nfs/dbraw/zinc/16/08/53/286160853.db2.gz UQQPZBSTMUJVSX-UHFFFAOYSA-N 1 0 323.506 3.020 10 0 DGAERO C[C@H](Cc1nnc(SC[C@@H](C)[NH+](C)C)o1)c1ccccc1 ZINC000358861146 286171502 /nfs/dbraw/zinc/17/15/02/286171502.db2.gz MOSIKXYGHDRYNN-CHWSQXEVSA-N 1 0 305.447 3.458 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@@H]1CCCCO1 ZINC000358917477 286186863 /nfs/dbraw/zinc/18/68/63/286186863.db2.gz UWZUUMCLENIQGI-FUHWJXTLSA-N 1 0 311.429 3.408 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CC[C@@H]1CCOC1 ZINC000359002200 286211554 /nfs/dbraw/zinc/21/15/54/286211554.db2.gz LJXNKIQNHGWHBK-CRAIPNDOSA-N 1 0 311.429 3.266 10 0 DGAERO COc1cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc(OC)c1 ZINC000092785664 286218381 /nfs/dbraw/zinc/21/83/81/286218381.db2.gz AGGLKVVPJQBRFW-QGZVFWFLSA-N 1 0 318.461 3.154 10 0 DGAERO Cc1ccc([C@H](C[NH2+]C[C@H]2CC=CCC2)N2CCOCC2)s1 ZINC000122346713 292254677 /nfs/dbraw/zinc/25/46/77/292254677.db2.gz IEWKHMHIVGGFQF-IRXDYDNUSA-N 1 0 320.502 3.376 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2)C12CCOCC2 ZINC000186335452 286288468 /nfs/dbraw/zinc/28/84/68/286288468.db2.gz FXRSZPPIGVFBFV-USXIJHARSA-N 1 0 321.465 3.089 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cccc3cccnc32)CC1 ZINC000359491477 286319640 /nfs/dbraw/zinc/31/96/40/286319640.db2.gz DZZKVWQGAHOQQV-UHFFFAOYSA-N 1 0 311.429 3.087 10 0 DGAERO CC[NH+](CC)CC1CCN(c2nc(C)nc3c2CCCC3)CC1 ZINC000359725872 286368752 /nfs/dbraw/zinc/36/87/52/286368752.db2.gz PAGCRRJLQJGWSR-UHFFFAOYSA-N 1 0 316.493 3.222 10 0 DGAERO COc1cccc(CC[NH2+]Cc2ccc(OCC3CC3)cc2)n1 ZINC000359768262 286377731 /nfs/dbraw/zinc/37/77/31/286377731.db2.gz QVSCBYRXPGGFER-UHFFFAOYSA-N 1 0 312.413 3.211 10 0 DGAERO CC(C)[C@H]1C[C@H]([NH2+]Cc2ncc(Br)s2)CCO1 ZINC000359945265 286394139 /nfs/dbraw/zinc/39/41/39/286394139.db2.gz DLZIWJDAQAVGRF-NXEZZACHSA-N 1 0 319.268 3.199 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C2CCSCC2)C12CCOCC2 ZINC000187564217 286394291 /nfs/dbraw/zinc/39/42/91/286394291.db2.gz BCWMTFAUHSNRNU-CWRNSKLLSA-N 1 0 313.507 3.082 10 0 DGAERO c1ccc2c(c1)OCC[C@H]2C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000359974660 286400543 /nfs/dbraw/zinc/40/05/43/286400543.db2.gz ASUOGSFHUDYPFL-INIZCTEOSA-N 1 0 309.413 3.052 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCc2ccccn2)cc1 ZINC000360988206 286570427 /nfs/dbraw/zinc/57/04/27/286570427.db2.gz XLEJSGWLKILXPS-UHFFFAOYSA-N 1 0 312.413 3.369 10 0 DGAERO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)CN1c1ccccc1F ZINC000361190513 286620467 /nfs/dbraw/zinc/62/04/67/286620467.db2.gz ZEFXSKKVGYFMMQ-SQWLQELKSA-N 1 0 302.393 3.099 10 0 DGAERO CC[C@@H]1CC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000362533094 286824173 /nfs/dbraw/zinc/82/41/73/286824173.db2.gz DVTBAZMAZWZTKB-KZNAEPCWSA-N 1 0 322.493 3.059 10 0 DGAERO C[NH+]1CCC(CC(=O)N[C@@]2(C)CCCc3ccccc32)CC1 ZINC000362683460 286849153 /nfs/dbraw/zinc/84/91/53/286849153.db2.gz KWYLCTATTFXVJC-IBGZPJMESA-N 1 0 300.446 3.086 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccco1)[NH+]1CCC(C)CC1 ZINC000116538776 286862020 /nfs/dbraw/zinc/86/20/20/286862020.db2.gz ILPIDMLIMPPBBW-JKSUJKDBSA-N 1 0 319.449 3.247 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470941500 287004007 /nfs/dbraw/zinc/00/40/07/287004007.db2.gz WMOQJWAAVZBALD-IGQOVBAYSA-N 1 0 320.399 3.439 10 0 DGAERO Cc1nc(-c2ccc(NC(=O)[C@H]3CCC[C@@H]3[NH3+])cc2)cs1 ZINC000085370941 164568670 /nfs/dbraw/zinc/56/86/70/164568670.db2.gz JLJJOBOMNOKHTN-KBPBESRZSA-N 1 0 301.415 3.184 10 0 DGAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[C@H](OC)C1 ZINC000364847740 287067209 /nfs/dbraw/zinc/06/72/09/287067209.db2.gz JXSHMPQMJAWJFJ-ROUUACIJSA-N 1 0 312.413 3.414 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc2c(c1)CCC2 ZINC000166503897 164601927 /nfs/dbraw/zinc/60/19/27/164601927.db2.gz VVIHLXQNLATORC-HNAYVOBHSA-N 1 0 324.472 3.228 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(OCC2CC2)cc1 ZINC000172230933 164655566 /nfs/dbraw/zinc/65/55/66/164655566.db2.gz DMSHWSLLNSPRKA-AWEZNQCLSA-N 1 0 319.449 3.327 10 0 DGAERO CS[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000172537809 164660707 /nfs/dbraw/zinc/66/07/07/164660707.db2.gz NRJOZUQDYSWASI-QGZVFWFLSA-N 1 0 318.486 3.178 10 0 DGAERO CC(C)c1csc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000172683170 164664900 /nfs/dbraw/zinc/66/49/00/164664900.db2.gz GXNZIRDWCMRCFE-ZDUSSCGKSA-N 1 0 322.478 3.216 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccncc1 ZINC000175278665 164753136 /nfs/dbraw/zinc/75/31/36/164753136.db2.gz OKLHKZHKSGJGPC-BLLLJJGKSA-N 1 0 315.804 3.191 10 0 DGAERO OCC[C@]1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCOC1 ZINC000180156034 164876139 /nfs/dbraw/zinc/87/61/39/164876139.db2.gz RJKJWWSFHGXYFF-DLBZAZTESA-N 1 0 309.837 3.170 10 0 DGAERO Cc1cccc2c(NCCCO[C@@H]3CCOC3)c(C)c[nH+]c12 ZINC000185347692 165000740 /nfs/dbraw/zinc/00/07/40/165000740.db2.gz AMPIJLFKXDXFGT-OAHLLOKOSA-N 1 0 300.402 3.459 10 0 DGAERO COc1ccc(-c2cnc(C[N@H+](C)[C@@H](CO)CC(C)C)o2)cc1 ZINC000185331546 165000852 /nfs/dbraw/zinc/00/08/52/165000852.db2.gz FBOQWCFDOLWKKX-OAHLLOKOSA-N 1 0 318.417 3.189 10 0 DGAERO ClC(Cl)(Cl)CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000185450908 165004820 /nfs/dbraw/zinc/00/48/20/165004820.db2.gz SEPDNBHEHOTJDD-UHFFFAOYSA-N 1 0 322.667 3.354 10 0 DGAERO FC(F)(F)C1CCC(C[NH+]2CCC(n3cncn3)CC2)CC1 ZINC000185505425 165006835 /nfs/dbraw/zinc/00/68/35/165006835.db2.gz YWMAXKFJGJMHSP-UHFFFAOYSA-N 1 0 316.371 3.284 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)[C@H]1COc2ccccc21 ZINC000185560285 165007924 /nfs/dbraw/zinc/00/79/24/165007924.db2.gz FSQHHQKHJKEVKL-CXMBCZLWSA-N 1 0 319.351 3.153 10 0 DGAERO CC(=O)Oc1ccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000185647481 165011281 /nfs/dbraw/zinc/01/12/81/165011281.db2.gz RSPOQSCWXDHLLQ-ACJLOTCBSA-N 1 0 311.381 3.266 10 0 DGAERO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186170276 165030474 /nfs/dbraw/zinc/03/04/74/165030474.db2.gz KIDYGORIIGNZDS-MRXNPFEDSA-N 1 0 312.457 3.181 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc(C(C)C)cs2)C12CCOCC2 ZINC000186390498 165041912 /nfs/dbraw/zinc/04/19/12/165041912.db2.gz TUEDJQXXFHRXGY-HUUCEWRRSA-N 1 0 324.490 3.330 10 0 DGAERO CC[N@@H+](Cc1ccc(C)nc1C)C[C@@H]1COc2ccccc2O1 ZINC000186467228 165045498 /nfs/dbraw/zinc/04/54/98/165045498.db2.gz LAGUWEMBMXSQKV-QGZVFWFLSA-N 1 0 312.413 3.360 10 0 DGAERO Cc1ccc(CCCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)s1 ZINC000186504566 165047001 /nfs/dbraw/zinc/04/70/01/165047001.db2.gz TYVBQZQDFNUYOK-AWEZNQCLSA-N 1 0 306.475 3.122 10 0 DGAERO O=C(CCCc1ccc(F)c(F)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186549798 165049966 /nfs/dbraw/zinc/04/99/66/165049966.db2.gz XQIZCHXHNOUPLE-CQSZACIVSA-N 1 0 322.399 3.031 10 0 DGAERO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)nc2C)C1 ZINC000186762997 165060090 /nfs/dbraw/zinc/06/00/90/165060090.db2.gz NKSAGQWKFFBBJS-MAUKXSAKSA-N 1 0 317.477 3.215 10 0 DGAERO CC(C)C(C)(C)CNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000186869767 165063754 /nfs/dbraw/zinc/06/37/54/165063754.db2.gz OEUGAQRFRAVYBC-UHFFFAOYSA-N 1 0 320.481 3.066 10 0 DGAERO C[N@H+](CCCCc1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000186964096 165068932 /nfs/dbraw/zinc/06/89/32/165068932.db2.gz BLQSPTXURAGOKD-IBGZPJMESA-N 1 0 324.472 3.400 10 0 DGAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000187120104 165076874 /nfs/dbraw/zinc/07/68/74/165076874.db2.gz GWMZOUIWTRQZPV-RDTXWAMCSA-N 1 0 312.413 3.414 10 0 DGAERO c1ccc(COCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000365053909 287091657 /nfs/dbraw/zinc/09/16/57/287091657.db2.gz LAAUOVMQGFVWFF-CEXWTWQISA-N 1 0 303.446 3.388 10 0 DGAERO Cc1nc(C[N@@H+](C)CC2(O)CCCCCC2)nc2ccccc12 ZINC000187359496 165087316 /nfs/dbraw/zinc/08/73/16/165087316.db2.gz BZKJTHCFEZVNPN-UHFFFAOYSA-N 1 0 313.445 3.455 10 0 DGAERO C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000187754310 165103590 /nfs/dbraw/zinc/10/35/90/165103590.db2.gz HNGKPHBAUWNVFG-AWEZNQCLSA-N 1 0 310.376 3.127 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1c1ccsc1 ZINC000188084239 165112240 /nfs/dbraw/zinc/11/22/40/165112240.db2.gz VNNPBANKTSQBHS-KBPBESRZSA-N 1 0 314.410 3.097 10 0 DGAERO Cc1ccc(CC[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188149903 165115324 /nfs/dbraw/zinc/11/53/24/165115324.db2.gz FPVPAZOULUCNLZ-ROUUACIJSA-N 1 0 301.455 3.307 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C2CC2)cc1 ZINC000188408693 165123919 /nfs/dbraw/zinc/12/39/19/165123919.db2.gz BZVBXANAMLIOJY-CQSZACIVSA-N 1 0 303.450 3.094 10 0 DGAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000188963763 165143167 /nfs/dbraw/zinc/14/31/67/165143167.db2.gz SMNJWHQTHAELQE-WMLDXEAASA-N 1 0 322.399 3.107 10 0 DGAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189047778 165146089 /nfs/dbraw/zinc/14/60/89/165146089.db2.gz UQJADICRKRZBHG-XOKHGSTOSA-N 1 0 304.409 3.095 10 0 DGAERO Cc1ccc2cc(C[NH2+][C@H]3Cc4ccccc4[C@H]3O)ccc2n1 ZINC000189344904 165157395 /nfs/dbraw/zinc/15/73/95/165157395.db2.gz IDGVZMBEQUWDFA-VQTJNVASSA-N 1 0 304.393 3.291 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000189562018 165166934 /nfs/dbraw/zinc/16/69/34/165166934.db2.gz UYEBEVWMBCJADS-DOTOQJQBSA-N 1 0 316.445 3.344 10 0 DGAERO O[C@@H](C[NH+]1CCC(Nc2ccccc2F)CC1)CC(F)(F)F ZINC000189691605 165172557 /nfs/dbraw/zinc/17/25/57/165172557.db2.gz NTBITUWZURGENH-GFCCVEGCSA-N 1 0 320.330 3.015 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3cncc(C)c3)C2)c1 ZINC000189918985 165181967 /nfs/dbraw/zinc/18/19/67/165181967.db2.gz BWPUVJQKMKCIOD-INIZCTEOSA-N 1 0 312.413 3.397 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cccc(CSC)c1 ZINC000189954112 165184512 /nfs/dbraw/zinc/18/45/12/165184512.db2.gz IAHQSJBZULJFDE-AWEZNQCLSA-N 1 0 323.506 3.079 10 0 DGAERO CCc1nnc(C2CC[NH+]([C@@H](C)c3ccccc3F)CC2)[nH]1 ZINC000190685092 165211232 /nfs/dbraw/zinc/21/12/32/165211232.db2.gz GPUMOJPKVGDKBD-LBPRGKRZSA-N 1 0 302.397 3.447 10 0 DGAERO C[C@@H]1CN(C[C@H](O)CC2CCCC2)C[C@H](c2ccsc2)O1 ZINC000190696825 165212358 /nfs/dbraw/zinc/21/23/58/165212358.db2.gz UUHRXJQDCCLFHF-KBRIMQKVSA-N 1 0 309.475 3.451 10 0 DGAERO O[C@H](C[C@H]1CCC[N@H+]1C[C@H](O)C1CCCCC1)c1ccco1 ZINC000190693605 165213509 /nfs/dbraw/zinc/21/35/09/165213509.db2.gz GLTMPHPGQXUESE-ZACQAIPSSA-N 1 0 307.434 3.109 10 0 DGAERO C[C@@H](CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1cccc(F)c1 ZINC000190745610 165214940 /nfs/dbraw/zinc/21/49/40/165214940.db2.gz YSTGAPFOEARTFK-XJKSGUPXSA-N 1 0 304.409 3.062 10 0 DGAERO CCn1cc([C@H]2CN([C@@H](C)c3ccc(F)cc3)CCO2)cn1 ZINC000190780117 165215125 /nfs/dbraw/zinc/21/51/25/165215125.db2.gz IBKUKMGJLRJTIC-SUMWQHHRSA-N 1 0 303.381 3.177 10 0 DGAERO C[C@H](CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1cccc(F)c1 ZINC000190745593 165215147 /nfs/dbraw/zinc/21/51/47/165215147.db2.gz YSTGAPFOEARTFK-CJNGLKHVSA-N 1 0 304.409 3.062 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1cccc(-n2cccn2)c1 ZINC000191054274 165227399 /nfs/dbraw/zinc/22/73/99/165227399.db2.gz RDZMGNBDHBVEDH-DNVCBOLYSA-N 1 0 313.445 3.464 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000191078261 165228647 /nfs/dbraw/zinc/22/86/47/165228647.db2.gz WRWAOCZZVMFHSV-BEFAXECRSA-N 1 0 313.445 3.464 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000191538206 165257185 /nfs/dbraw/zinc/25/71/85/165257185.db2.gz NVSGPBYBVCFERQ-INIZCTEOSA-N 1 0 315.461 3.095 10 0 DGAERO C[C@H]([NH2+]Cc1ccnc(N)c1)c1ccccc1Br ZINC000191605119 165261092 /nfs/dbraw/zinc/26/10/92/165261092.db2.gz KPKFNKXIIFCQHX-JTQLQIEISA-N 1 0 306.207 3.277 10 0 DGAERO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1nc2cc(F)ccc2o1 ZINC000191652982 165263120 /nfs/dbraw/zinc/26/31/20/165263120.db2.gz JVCHVSSVZVFMCK-KRWDZBQOSA-N 1 0 306.381 3.340 10 0 DGAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191675509 165264279 /nfs/dbraw/zinc/26/42/79/165264279.db2.gz RPJUYNISAPWTQT-ZDUSSCGKSA-N 1 0 310.388 3.013 10 0 DGAERO Cc1c[nH+]ccc1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000191979572 165277729 /nfs/dbraw/zinc/27/77/29/165277729.db2.gz BZHBWSHTXOXWPF-UHFFFAOYSA-N 1 0 305.381 3.212 10 0 DGAERO O=C1O[C@@H](C[N@H+]2CC=C(c3ccccc3F)CC2)CC12CCC2 ZINC000192190797 165287029 /nfs/dbraw/zinc/28/70/29/165287029.db2.gz UTVQEGVVRGIDMQ-OAHLLOKOSA-N 1 0 315.388 3.401 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccnc(N)c2)cc1 ZINC000193524038 165327555 /nfs/dbraw/zinc/32/75/55/165327555.db2.gz GUALCERNWVOIEN-ZDUSSCGKSA-N 1 0 307.401 3.009 10 0 DGAERO COc1cccc2c1CC[N@H+](Cc1cccc(Cl)n1)CC2 ZINC000193707066 165328500 /nfs/dbraw/zinc/32/85/00/165328500.db2.gz HLRFKWROHCYDGR-UHFFFAOYSA-N 1 0 302.805 3.344 10 0 DGAERO c1cn(-c2ncccc2C[NH2+]CCSCc2ccccc2)cn1 ZINC000193901454 165335225 /nfs/dbraw/zinc/33/52/25/165335225.db2.gz KJIKLFHMWILJNQ-UHFFFAOYSA-N 1 0 324.453 3.290 10 0 DGAERO CCC[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000194508454 165347928 /nfs/dbraw/zinc/34/79/28/165347928.db2.gz FKXOZFIYWIURFJ-GOSISDBHSA-N 1 0 300.446 3.267 10 0 DGAERO Cc1c(Cl)cccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000194552268 165348174 /nfs/dbraw/zinc/34/81/74/165348174.db2.gz BJENCAKFFRLTEF-UHFFFAOYSA-N 1 0 306.837 3.349 10 0 DGAERO COCc1nc2n(n1)CCC[C@H]2[NH2+]CC[C@H](C)c1ccccc1 ZINC000194503928 165349053 /nfs/dbraw/zinc/34/90/53/165349053.db2.gz PSKMUEIFWGYCCT-GOEBONIOSA-N 1 0 314.433 3.043 10 0 DGAERO C[C@H](CC[NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1 ZINC000194988863 165358708 /nfs/dbraw/zinc/35/87/08/165358708.db2.gz NRXLQQOKPXGYAK-AEFFLSMTSA-N 1 0 310.445 3.229 10 0 DGAERO Cc1csc([C@@H]2CCCN(Cc3nc(C(C)C)no3)C2)n1 ZINC000195325561 165365253 /nfs/dbraw/zinc/36/52/53/165365253.db2.gz HEVHBBYXTLZGEH-GFCCVEGCSA-N 1 0 306.435 3.338 10 0 DGAERO O=C(c1sc2ccccc2c1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195316246 165365317 /nfs/dbraw/zinc/36/53/17/165365317.db2.gz WFCCDDQOQRQFEM-LLVKDONJSA-N 1 0 320.845 3.475 10 0 DGAERO Cc1csc(C2CCN(Cc3nccn3C(F)F)CC2)n1 ZINC000195318993 165365525 /nfs/dbraw/zinc/36/55/25/165365525.db2.gz ZUTWCEZGQKBQRX-UHFFFAOYSA-N 1 0 312.389 3.423 10 0 DGAERO O=C(CN1CCC(OC2CCCC2)CC1)Nc1ccccc1F ZINC000195317571 165365809 /nfs/dbraw/zinc/36/58/09/165365809.db2.gz YMLZYHOQZNFFLF-UHFFFAOYSA-N 1 0 320.408 3.188 10 0 DGAERO FC(F)Oc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000195506986 165371933 /nfs/dbraw/zinc/37/19/33/165371933.db2.gz CTKYHEDVTBWRFR-UHFFFAOYSA-N 1 0 307.344 3.391 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(C)sc2C)C1 ZINC000195520310 165374611 /nfs/dbraw/zinc/37/46/11/165374611.db2.gz XIIORZAAKIBJHH-AWEZNQCLSA-N 1 0 304.463 3.356 10 0 DGAERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000226773033 165385927 /nfs/dbraw/zinc/38/59/27/165385927.db2.gz XZIHVDLYDXLOBT-IXIBIKRGSA-N 1 0 324.465 3.074 10 0 DGAERO OCC[C@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000227570647 165386597 /nfs/dbraw/zinc/38/65/97/165386597.db2.gz QEFCHNBXKPJPER-LLVKDONJSA-N 1 0 304.217 3.077 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]CC[C@H]1CCOC1 ZINC000230410815 165396123 /nfs/dbraw/zinc/39/61/23/165396123.db2.gz KWKVWHDNIRETML-NHYWBVRUSA-N 1 0 310.235 3.453 10 0 DGAERO FC(F)SCc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)o1 ZINC000230314850 165396542 /nfs/dbraw/zinc/39/65/42/165396542.db2.gz LHTAXUZPUJWMRH-CHWSQXEVSA-N 1 0 303.374 3.393 10 0 DGAERO Cc1cc(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)no1 ZINC000246605035 165527224 /nfs/dbraw/zinc/52/72/24/165527224.db2.gz XRVDDNYKQOREFK-GDBMZVCRSA-N 1 0 313.401 3.190 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365432778 287131211 /nfs/dbraw/zinc/13/12/11/287131211.db2.gz VGCVFTGCKDFVQE-SDNWHVSQSA-N 1 0 316.420 3.362 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000248186207 165611217 /nfs/dbraw/zinc/61/12/17/165611217.db2.gz XJVMSTDIAQGFGO-VIBAHUMZSA-N 1 0 319.445 3.176 10 0 DGAERO CC[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000248586925 165635079 /nfs/dbraw/zinc/63/50/79/165635079.db2.gz QHKUKMWYJDIZKA-MPGHIAIKSA-N 1 0 318.461 3.383 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc2c(c1)OCCO2 ZINC000248696912 165645542 /nfs/dbraw/zinc/64/55/42/165645542.db2.gz DMKIMXAJYJPXLQ-WPPQDWHVSA-N 1 0 315.413 3.066 10 0 DGAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000261872787 165759141 /nfs/dbraw/zinc/75/91/41/165759141.db2.gz QYJBBJFBUGGZFD-PXAZEXFGSA-N 1 0 306.837 3.297 10 0 DGAERO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000261911761 165764925 /nfs/dbraw/zinc/76/49/25/165764925.db2.gz YEQHIRBAZFSHSD-AEZOWIDVSA-N 1 0 306.837 3.185 10 0 DGAERO CCSCc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261945638 165768195 /nfs/dbraw/zinc/76/81/95/165768195.db2.gz JSADEPLKJLDZLK-HNNXBMFYSA-N 1 0 306.475 3.139 10 0 DGAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000262024259 165777492 /nfs/dbraw/zinc/77/74/92/165777492.db2.gz AUJVAUQKPDSJPD-ZBEGNZNMSA-N 1 0 316.430 3.051 10 0 DGAERO Cc1ccc(CCN(CC(F)(F)F)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000262114058 165787745 /nfs/dbraw/zinc/78/77/45/165787745.db2.gz WTWPTSPTOMLRHE-MRXNPFEDSA-N 1 0 314.395 3.401 10 0 DGAERO CC1(C)CN(C(=O)C(c2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000262137051 165789475 /nfs/dbraw/zinc/78/94/75/165789475.db2.gz WXVAWTCHSXXURN-GOSISDBHSA-N 1 0 322.452 3.404 10 0 DGAERO CN(C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000262410822 165802493 /nfs/dbraw/zinc/80/24/93/165802493.db2.gz DCPUJDAQEVFSHK-ZDUSSCGKSA-N 1 0 315.339 3.311 10 0 DGAERO Cc1ccccc1C1CC(N(C(=O)[C@@H](C)C2C[NH2+]C2)C2CC2)C1 ZINC000262599350 165812770 /nfs/dbraw/zinc/81/27/70/165812770.db2.gz XNZSNXHSJORAIF-SYJJWHGVSA-N 1 0 312.457 3.088 10 0 DGAERO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262645116 165813748 /nfs/dbraw/zinc/81/37/48/165813748.db2.gz SCWCPFDBMXCCGJ-CABCVRRESA-N 1 0 314.360 3.052 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000262782497 165820055 /nfs/dbraw/zinc/82/00/55/165820055.db2.gz MGRHTILSEIVLCM-NHFHULPWSA-N 1 0 314.473 3.465 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@@H]3OCCc4ccccc43)o2)n[nH]1 ZINC000366025044 287201619 /nfs/dbraw/zinc/20/16/19/287201619.db2.gz CCMTUCISOOJNRB-SFHVURJKSA-N 1 0 309.369 3.073 10 0 DGAERO CO[C@H](C)c1nc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cs1 ZINC000129007884 196011554 /nfs/dbraw/zinc/01/15/54/196011554.db2.gz DQVGBSYHNXYKJC-SNPRPXQTSA-N 1 0 320.462 3.321 10 0 DGAERO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000269039053 432151998 /nfs/dbraw/zinc/15/19/98/432151998.db2.gz GFSQPEKILLVUBJ-XYJFISCASA-N 1 0 310.445 3.038 10 0 DGAERO CC(=O)Nc1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)cc1 ZINC000190393538 432152830 /nfs/dbraw/zinc/15/28/30/432152830.db2.gz IFOABVQYAOCXPN-UHFFFAOYSA-N 1 0 312.413 3.300 10 0 DGAERO CCNc1ccc(Cl)cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246627805 432150868 /nfs/dbraw/zinc/15/08/68/432150868.db2.gz YLXKAWYPVMPERK-OCCSQVGLSA-N 1 0 321.852 3.081 10 0 DGAERO Cc1cc(CC[NH2+]Cc2cnn(C(C)(C)C)c2)cc(C)c1O ZINC000190396743 432151076 /nfs/dbraw/zinc/15/10/76/432151076.db2.gz VFBWBTSVHGYDDR-UHFFFAOYSA-N 1 0 301.434 3.293 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC(C)(C)c2cccs2)C1 ZINC000246731681 432159471 /nfs/dbraw/zinc/15/94/71/432159471.db2.gz AOWQTDIVKVUPMB-ZIAGYGMSSA-N 1 0 323.506 3.054 10 0 DGAERO C[C@H]1C[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)CCS1 ZINC000171685939 432159807 /nfs/dbraw/zinc/15/98/07/432159807.db2.gz HLIOHFIEAUNGGY-ZDUSSCGKSA-N 1 0 314.495 3.071 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]CCCCCO ZINC000190463003 432159870 /nfs/dbraw/zinc/15/98/70/432159870.db2.gz ALQKEYPXEXCIGH-NSHDSACASA-N 1 0 316.239 3.271 10 0 DGAERO COc1ccc(Cl)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246738802 432160560 /nfs/dbraw/zinc/16/05/60/432160560.db2.gz GPCZHXIZEGTOIM-HIFRSBDPSA-N 1 0 313.850 3.055 10 0 DGAERO CC(C)[NH2+]C1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000171690968 432161736 /nfs/dbraw/zinc/16/17/36/432161736.db2.gz ZZXCYNCAZBOQSN-AWEZNQCLSA-N 1 0 314.433 3.260 10 0 DGAERO CCc1ccc(CN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190490367 432161997 /nfs/dbraw/zinc/16/19/97/432161997.db2.gz NBAAUIXFSRVLKL-QGZVFWFLSA-N 1 0 313.445 3.191 10 0 DGAERO Clc1ccc2c(c1)ncnc2N1CCC([NH2+]C2CC2)CC1 ZINC000269263916 432155399 /nfs/dbraw/zinc/15/53/99/432155399.db2.gz CDZVVWQZNXBBQE-UHFFFAOYSA-N 1 0 302.809 3.004 10 0 DGAERO CCC(C)(C)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000190433045 432155935 /nfs/dbraw/zinc/15/59/35/432155935.db2.gz DFALPDLBOZOZJV-UHFFFAOYSA-N 1 0 309.429 3.123 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)CS(C)(=O)=O ZINC000246697659 432156142 /nfs/dbraw/zinc/15/61/42/432156142.db2.gz ZAXVRRXWDUEFQI-NWDGAFQWSA-N 1 0 303.855 3.014 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC2=CCCCC2)[C@@H](C)C1 ZINC000246718970 432156681 /nfs/dbraw/zinc/15/66/81/432156681.db2.gz UYDFMAMZZRTTML-RDJZCZTQSA-N 1 0 307.482 3.249 10 0 DGAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246714469 432157439 /nfs/dbraw/zinc/15/74/39/432157439.db2.gz LXUYXRJOKZXOEX-WOJBJXKFSA-N 1 0 315.457 3.386 10 0 DGAERO CS[C@H](CO)[C@H](C)[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182090236 432158234 /nfs/dbraw/zinc/15/82/34/432158234.db2.gz KYWNFVOPKXQBKU-COLVAYQJSA-N 1 0 303.418 3.364 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190461886 432159191 /nfs/dbraw/zinc/15/91/91/432159191.db2.gz FQGYGFYPWGLSJB-AWEZNQCLSA-N 1 0 320.502 3.435 10 0 DGAERO CSCc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1F ZINC000246771965 432162739 /nfs/dbraw/zinc/16/27/39/432162739.db2.gz CDBDVXHFXVWJRV-BLLLJJGKSA-N 1 0 324.465 3.147 10 0 DGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000190488971 432163454 /nfs/dbraw/zinc/16/34/54/432163454.db2.gz MLKHJIHAMQZCRL-KRWDZBQOSA-N 1 0 313.420 3.175 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc2ccccc2c1 ZINC000246791267 432164730 /nfs/dbraw/zinc/16/47/30/432164730.db2.gz BMPXBQDAOMUPHF-KXBFYZLASA-N 1 0 323.440 3.218 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC000246839642 432172132 /nfs/dbraw/zinc/17/21/32/432172132.db2.gz DZXMMMCDSLUFAE-VZEFYGNVSA-N 1 0 320.864 3.288 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000129575147 196058740 /nfs/dbraw/zinc/05/87/40/196058740.db2.gz FGLAOGDCNNMNTF-JTQLQIEISA-N 1 0 320.742 3.135 10 0 DGAERO Fc1ccc(CN2CCS[C@H]3COCC[C@H]32)c(Cl)c1 ZINC000246810292 432167668 /nfs/dbraw/zinc/16/76/68/432167668.db2.gz JKGGISXRISSRIY-KGLIPLIRSA-N 1 0 301.814 3.185 10 0 DGAERO Clc1ccc(C[NH2+][C@@H]2CCCOC2)cc1Br ZINC000137079586 432169255 /nfs/dbraw/zinc/16/92/55/432169255.db2.gz BBCVHYHMGONPGU-SNVBAGLBSA-N 1 0 304.615 3.371 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(N2CCCC2)c(F)c1)[NH+](C)C ZINC000137083954 432169404 /nfs/dbraw/zinc/16/94/04/432169404.db2.gz JPDCZYAPRPGCCK-MRXNPFEDSA-N 1 0 307.413 3.095 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(SC)ccc1C ZINC000246844809 432172274 /nfs/dbraw/zinc/17/22/74/432172274.db2.gz BSQPOUTWNBYIHS-GJZGRUSLSA-N 1 0 318.486 3.416 10 0 DGAERO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246870282 432176512 /nfs/dbraw/zinc/17/65/12/432176512.db2.gz NYUBXWONVJXXPF-RVKKMQEKSA-N 1 0 318.436 3.090 10 0 DGAERO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000246883222 432176654 /nfs/dbraw/zinc/17/66/54/432176654.db2.gz BCVHKAGUCLURBO-KXBFYZLASA-N 1 0 320.452 3.462 10 0 DGAERO CCC[C@@H](C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190642267 432177917 /nfs/dbraw/zinc/17/79/17/432177917.db2.gz RXSKMBGVISUCKZ-AEFFLSMTSA-N 1 0 317.477 3.188 10 0 DGAERO CCCCCCC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190640157 432178743 /nfs/dbraw/zinc/17/87/43/432178743.db2.gz DGNLJELLNKWOHM-GOSISDBHSA-N 1 0 317.477 3.332 10 0 DGAERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(OC(F)F)cc1 ZINC000190671275 432179896 /nfs/dbraw/zinc/17/98/96/432179896.db2.gz VATLFWGMEJABAZ-LLVKDONJSA-N 1 0 301.333 3.092 10 0 DGAERO C[C@H]([NH2+]CC1(C)OCCCO1)c1cccc(Br)c1 ZINC000190656244 432180063 /nfs/dbraw/zinc/18/00/63/432180063.db2.gz TUTUZAKKHOEVTI-NSHDSACASA-N 1 0 314.223 3.253 10 0 DGAERO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000137900094 432180741 /nfs/dbraw/zinc/18/07/41/432180741.db2.gz VPRJZIHCVMOGCB-FZKQIMNGSA-N 1 0 320.481 3.082 10 0 DGAERO CC[C@@H](Sc1ccccc1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000171808495 432174192 /nfs/dbraw/zinc/17/41/92/432174192.db2.gz OKJUUCPDCCHANI-GOEBONIOSA-N 1 0 306.475 3.158 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000246861333 432175130 /nfs/dbraw/zinc/17/51/30/432175130.db2.gz CAMAEQXVWAHNTH-QXAKKESOSA-N 1 0 302.462 3.056 10 0 DGAERO CSCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000171827142 432175991 /nfs/dbraw/zinc/17/59/91/432175991.db2.gz BYDQJMWFSXRMMQ-AWEZNQCLSA-N 1 0 306.475 3.129 10 0 DGAERO C[C@@]1(c2ccccc2)C[N@H+](C[C@H](O)CC2CCCC2)CCO1 ZINC000190698170 432183585 /nfs/dbraw/zinc/18/35/85/432183585.db2.gz PWKIDSFHULYPEM-MOPGFXCFSA-N 1 0 303.446 3.175 10 0 DGAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)c1 ZINC000246956279 432184172 /nfs/dbraw/zinc/18/41/72/432184172.db2.gz IJJNVNCGWUCWFP-HUUCEWRRSA-N 1 0 303.450 3.170 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000246953943 432185235 /nfs/dbraw/zinc/18/52/35/432185235.db2.gz LXXZZMAHULYYBG-IRXDYDNUSA-N 1 0 323.440 3.381 10 0 DGAERO CCn1cc([C@@H]2CN([C@@H](C)c3cccc(F)c3)CCO2)cn1 ZINC000190732758 432185411 /nfs/dbraw/zinc/18/54/11/432185411.db2.gz AMBJQXRIBAZDGQ-GUYCJALGSA-N 1 0 303.381 3.177 10 0 DGAERO Clc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)s1 ZINC000171942126 432185965 /nfs/dbraw/zinc/18/59/65/432185965.db2.gz IHYIMIYMTSFWTR-ZDUSSCGKSA-N 1 0 314.882 3.088 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCCc3ccccc31)CC2 ZINC000171981173 432187551 /nfs/dbraw/zinc/18/75/51/432187551.db2.gz BCCSBDAPKUFEGC-WBVHZDCISA-N 1 0 310.445 3.384 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000150745401 432189260 /nfs/dbraw/zinc/18/92/60/432189260.db2.gz LGGQWVWMXFOTBY-QGZVFWFLSA-N 1 0 302.418 3.482 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1ccccc1 ZINC000247017629 432192538 /nfs/dbraw/zinc/19/25/38/432192538.db2.gz SGRAMTWTBPGMPW-ROUUACIJSA-N 1 0 300.446 3.095 10 0 DGAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccc(Cl)cc1 ZINC000247016188 432192562 /nfs/dbraw/zinc/19/25/62/432192562.db2.gz FXQKKVYMDKGUOG-WWGRRREGSA-N 1 0 321.852 3.279 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2ccccc2F)o1 ZINC000247008441 432190292 /nfs/dbraw/zinc/19/02/92/432190292.db2.gz UDIWVULZTCELNG-KBPBESRZSA-N 1 0 315.392 3.149 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc3ccccc3s2)C1 ZINC000247012448 432190418 /nfs/dbraw/zinc/19/04/18/432190418.db2.gz HEHQWCPNUSYQNG-GXTWGEPZSA-N 1 0 302.443 3.360 10 0 DGAERO CC[C@H]1CCCCCN1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000150769891 432190531 /nfs/dbraw/zinc/19/05/31/432190531.db2.gz ZTSRLBQBBNIENK-IRXDYDNUSA-N 1 0 309.498 3.329 10 0 DGAERO CCn1cc([C@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CCO2)cn1 ZINC000190791514 432190919 /nfs/dbraw/zinc/19/09/19/432190919.db2.gz LIKJLHDIPPEFKG-RTBURBONSA-N 1 0 311.429 3.354 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000269652194 432191497 /nfs/dbraw/zinc/19/14/97/432191497.db2.gz ICSBAXDZLKJWHZ-GOSISDBHSA-N 1 0 304.409 3.125 10 0 DGAERO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]1c1ccco1 ZINC000172114273 432198313 /nfs/dbraw/zinc/19/83/13/432198313.db2.gz WQCSSXUGMVYJJG-MRXNPFEDSA-N 1 0 317.433 3.001 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247082797 432199885 /nfs/dbraw/zinc/19/98/85/432199885.db2.gz XBZRIQQOIGUJTI-DZGCQCFKSA-N 1 0 313.445 3.074 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COCc1ccccc1OC ZINC000247030016 432193476 /nfs/dbraw/zinc/19/34/76/432193476.db2.gz VMEUFTPHZNSPRC-QZTJIDSGSA-N 1 0 321.461 3.227 10 0 DGAERO CCC[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000247033969 432194409 /nfs/dbraw/zinc/19/44/09/432194409.db2.gz GLABCSKGUQHGSI-NJAFHUGGSA-N 1 0 315.461 3.406 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccccc1Cl ZINC000247028756 432194693 /nfs/dbraw/zinc/19/46/93/432194693.db2.gz TYNBNKMRCIZDRB-HOTGVXAUSA-N 1 0 320.864 3.358 10 0 DGAERO OCc1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1F ZINC000190858541 432195829 /nfs/dbraw/zinc/19/58/29/432195829.db2.gz YNHPMNDUZZXJBZ-UHFFFAOYSA-N 1 0 315.388 3.397 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@@H+]([C@H](C)c3nnc(C)o3)C2)cc1 ZINC000247084327 432200193 /nfs/dbraw/zinc/20/01/93/432200193.db2.gz NNSFQTKPRMZQGT-LALPHHSUSA-N 1 0 301.390 3.326 10 0 DGAERO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000247084072 432200358 /nfs/dbraw/zinc/20/03/58/432200358.db2.gz VWKBFOOMRAAWSN-QLFBSQMISA-N 1 0 318.461 3.429 10 0 DGAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1cn(-c2ccccc2)nn1 ZINC000150896386 432200632 /nfs/dbraw/zinc/20/06/32/432200632.db2.gz JEXCBOBYLHCQAC-AWEZNQCLSA-N 1 0 319.412 3.386 10 0 DGAERO Cc1cc(C)n(-c2ccc(CN3CCC[N@@H+](C4CC4)CC3)cc2)n1 ZINC000172346604 432209138 /nfs/dbraw/zinc/20/91/38/432209138.db2.gz PQIFLRJRKWLXAC-UHFFFAOYSA-N 1 0 324.472 3.159 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC(=O)NC1CCCC1 ZINC000151004478 432210187 /nfs/dbraw/zinc/21/01/87/432210187.db2.gz AVBJVRPKZXKIGH-ZDUSSCGKSA-N 1 0 320.481 3.046 10 0 DGAERO C[C@H](c1nc2ccccc2n1C(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247215560 432211608 /nfs/dbraw/zinc/21/16/08/432211608.db2.gz QBUBPGBIEATIBT-OLZOCXBDSA-N 1 0 320.387 3.272 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182635541 432212028 /nfs/dbraw/zinc/21/20/28/432212028.db2.gz WQELHMONKBFSED-ZDUSSCGKSA-N 1 0 316.405 3.193 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(OC(C)C)c3)[C@@H]2C1 ZINC000247225405 432212482 /nfs/dbraw/zinc/21/24/82/432212482.db2.gz ZECSSDVNUJVOPC-BHIYHBOVSA-N 1 0 319.445 3.242 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247234016 432213880 /nfs/dbraw/zinc/21/38/80/432213880.db2.gz MTTCVGOOEIEPLQ-SOLBZPMBSA-N 1 0 315.461 3.243 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCN3CCCCC3)C2)cc1 ZINC000151042632 432214113 /nfs/dbraw/zinc/21/41/13/432214113.db2.gz LTUPFTRSJDCGFG-SJLPKXTDSA-N 1 0 302.462 3.359 10 0 DGAERO CCc1ccc(CCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247238840 432214337 /nfs/dbraw/zinc/21/43/37/432214337.db2.gz DFXXZOCGYSOJGU-MAUKXSAKSA-N 1 0 302.462 3.123 10 0 DGAERO CC[N@@H+]1CC[C@H]([NH+](C)CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000247237982 432214375 /nfs/dbraw/zinc/21/43/75/432214375.db2.gz SPQBKGSYYNJRGQ-ICSRJNTNSA-N 1 0 318.505 3.298 10 0 DGAERO CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000182559198 432204536 /nfs/dbraw/zinc/20/45/36/432204536.db2.gz XJHICCICNZIFBV-CVEARBPZSA-N 1 0 317.477 3.449 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](CCCc3cccc(F)c3)C2)no1 ZINC000182744666 432224681 /nfs/dbraw/zinc/22/46/81/432224681.db2.gz JXAXZDMGPJNIPW-INIZCTEOSA-N 1 0 317.408 3.404 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191146262 432226472 /nfs/dbraw/zinc/22/64/72/432226472.db2.gz KXXVPKKOVJJJLI-GFCCVEGCSA-N 1 0 303.454 3.016 10 0 DGAERO FC(F)(F)c1cnc(N2CC[C@@H]([NH2+]CC3CC3)C2)c(Cl)c1 ZINC000151199960 432228112 /nfs/dbraw/zinc/22/81/12/432228112.db2.gz VLSHQANCVCTETH-LLVKDONJSA-N 1 0 319.758 3.332 10 0 DGAERO CC[NH+](CC)CCCN[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000131451470 196170216 /nfs/dbraw/zinc/17/02/16/196170216.db2.gz WDVJPVPDCNANFF-CQSZACIVSA-N 1 0 321.465 3.036 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000247253941 432216206 /nfs/dbraw/zinc/21/62/06/432216206.db2.gz DTRMAVVJLXDMSI-XJKSGUPXSA-N 1 0 324.415 3.086 10 0 DGAERO CCC[C@H](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247266532 432216766 /nfs/dbraw/zinc/21/67/66/432216766.db2.gz QVCYPOGYWFYHSA-JZXOWHBKSA-N 1 0 317.477 3.235 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)C)n2C)C1(CC)CC ZINC000191071329 432217275 /nfs/dbraw/zinc/21/72/75/432217275.db2.gz PCVAGHYQDAGPKU-KGLIPLIRSA-N 1 0 308.470 3.012 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCC3)[C@@H](C)C1 ZINC000247275027 432218662 /nfs/dbraw/zinc/21/86/62/432218662.db2.gz FQNOIVPDWFLVNM-GXTWGEPZSA-N 1 0 306.475 3.039 10 0 DGAERO C[C@@H](CCNC(=O)N1CCC[C@H]1c1ccco1)[NH+]1CCCCC1 ZINC000182702660 432221016 /nfs/dbraw/zinc/22/10/16/432221016.db2.gz QUNQPJQLQJBBQT-HOTGVXAUSA-N 1 0 319.449 3.391 10 0 DGAERO CCc1ccc(CCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000247324838 432222125 /nfs/dbraw/zinc/22/21/25/432222125.db2.gz MQFUUJQHLMKWSM-QAPCUYQASA-N 1 0 302.462 3.027 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000247336897 432222639 /nfs/dbraw/zinc/22/26/39/432222639.db2.gz ZLJZZSHTNUKLLQ-DZGCQCFKSA-N 1 0 308.491 3.320 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc21 ZINC000247344881 432223316 /nfs/dbraw/zinc/22/33/16/432223316.db2.gz JIVFLQVKSZCWHJ-JSGCOSHPSA-N 1 0 317.408 3.170 10 0 DGAERO CC[N@H+](C[C@H](C)Cc1ccccc1)[C@@H](C)CS(=O)(=O)CC ZINC000132355731 196248863 /nfs/dbraw/zinc/24/88/63/196248863.db2.gz RPPABPXJALIWJE-CVEARBPZSA-N 1 0 311.491 3.010 10 0 DGAERO c1c2ccccc2sc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000132215502 196236453 /nfs/dbraw/zinc/23/64/53/196236453.db2.gz RDWHTDJUAZBVRF-OAHLLOKOSA-N 1 0 324.453 3.450 10 0 DGAERO Cc1cc(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1C1CC1 ZINC000133201947 196320731 /nfs/dbraw/zinc/32/07/31/196320731.db2.gz RUBBGFJOYRFMDR-CXAGYDPISA-N 1 0 317.477 3.037 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@H](C)Cc1ccccc1)CC2 ZINC000133870300 196341171 /nfs/dbraw/zinc/34/11/71/196341171.db2.gz OQPINTBEAWTVPR-NVXWUHKLSA-N 1 0 312.461 3.185 10 0 DGAERO c1ncc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)s1 ZINC000136009792 196514774 /nfs/dbraw/zinc/51/47/74/196514774.db2.gz MVZUZHVJTAFACX-UHFFFAOYSA-N 1 0 316.426 3.473 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136175226 196525694 /nfs/dbraw/zinc/52/56/94/196525694.db2.gz OXZNMHOKLOLAIH-LZLYRXPVSA-N 1 0 315.461 3.182 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1 ZINC000151061846 196624743 /nfs/dbraw/zinc/62/47/43/196624743.db2.gz XWLYGZLDXYDVSH-GOSISDBHSA-N 1 0 316.445 3.057 10 0 DGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000246249658 287388841 /nfs/dbraw/zinc/38/88/41/287388841.db2.gz LFSNZAPCYPHQGT-JHJVBQTASA-N 1 0 306.372 3.050 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@@H](N3CCC=C(c4cccnc4)C3)C2)cc1 ZINC000297792349 227575718 /nfs/dbraw/zinc/57/57/18/227575718.db2.gz WXDLAQXRXUYYSW-OAQYLSRUSA-N 1 0 319.452 3.445 10 0 DGAERO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CCCCC1 ZINC000157697792 228234694 /nfs/dbraw/zinc/23/46/94/228234694.db2.gz XUYVYTGATGIWEP-KRWDZBQOSA-N 1 0 306.837 3.393 10 0 DGAERO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)N1CCCCC1 ZINC000157697614 228235117 /nfs/dbraw/zinc/23/51/17/228235117.db2.gz XUYVYTGATGIWEP-QGZVFWFLSA-N 1 0 306.837 3.393 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000174572562 228291334 /nfs/dbraw/zinc/29/13/34/228291334.db2.gz VQMDTYREKLAKRT-QWRGUYRKSA-N 1 0 313.804 3.426 10 0 DGAERO COCCCOC1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000175716137 228304641 /nfs/dbraw/zinc/30/46/41/228304641.db2.gz NHBALLHDBNYEGB-OAHLLOKOSA-N 1 0 307.434 3.274 10 0 DGAERO O=C(CC[C@@H]1CCOC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175923788 228306947 /nfs/dbraw/zinc/30/69/47/228306947.db2.gz KCCSZFJERRVAMT-MRXNPFEDSA-N 1 0 302.418 3.038 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccccc32)cc1F ZINC000181361439 228361676 /nfs/dbraw/zinc/36/16/76/228361676.db2.gz HTIMQPQMXHDWLB-CQSZACIVSA-N 1 0 312.388 3.374 10 0 DGAERO Cc1cccc2c(NCCNC(=O)c3ccco3)c(C)c[nH+]c12 ZINC000185265505 228390404 /nfs/dbraw/zinc/39/04/04/228390404.db2.gz JKLORAZYKUDTDH-UHFFFAOYSA-N 1 0 309.369 3.287 10 0 DGAERO C[C@H](C[NH+]1CCCCCC1)Nc1nnc(-c2ccccn2)s1 ZINC000302348220 230223503 /nfs/dbraw/zinc/22/35/03/230223503.db2.gz CXARUHJJRZFYPJ-CYBMUJFWSA-N 1 0 317.462 3.277 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183155072 263597941 /nfs/dbraw/zinc/59/79/41/263597941.db2.gz BLXBITUJLAXDOT-SJORKVTESA-N 1 0 302.462 3.246 10 0 DGAERO CC(C)(C)OC[C@H](O)C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000186887557 263665257 /nfs/dbraw/zinc/66/52/57/263665257.db2.gz YKUUACVFNQYFPR-LLVKDONJSA-N 1 0 317.832 3.480 10 0 DGAERO Cc1ccccc1SCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194290300 263810504 /nfs/dbraw/zinc/81/05/04/263810504.db2.gz UIRLWENRAZMGBA-UHFFFAOYSA-N 1 0 320.502 3.466 10 0 DGAERO c1csc(N2CCC([NH2+]Cc3ccc4ccccc4n3)CC2)n1 ZINC000346780198 264095435 /nfs/dbraw/zinc/09/54/35/264095435.db2.gz OQVSWUMCQWQDNU-UHFFFAOYSA-N 1 0 324.453 3.450 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(CCCC4CCOCC4)n3)cc12 ZINC000347178485 264170623 /nfs/dbraw/zinc/17/06/23/264170623.db2.gz NQTUPWBLLWNLAJ-UHFFFAOYSA-N 1 0 312.373 3.134 10 0 DGAERO c1cn(Cc2ccccc2)c(C[NH2+]CCCC2CCOCC2)n1 ZINC000347431559 264220191 /nfs/dbraw/zinc/22/01/91/264220191.db2.gz OOCSICOMUGBRDD-UHFFFAOYSA-N 1 0 313.445 3.228 10 0 DGAERO CCOCC[N@H+](CC)Cc1ccc(Br)c(F)c1 ZINC000352840480 265193700 /nfs/dbraw/zinc/19/37/00/265193700.db2.gz VPXSADMKGPKUJD-UHFFFAOYSA-N 1 0 304.203 3.447 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1c(F)cccc1Br ZINC000352890703 265217472 /nfs/dbraw/zinc/21/74/72/265217472.db2.gz FCVIERMBLIHYRW-ZDUSSCGKSA-N 1 0 304.203 3.085 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cc2c1C ZINC000247409925 432229397 /nfs/dbraw/zinc/22/93/97/432229397.db2.gz QBSFIQONQGELBD-WBMJQRKESA-N 1 0 311.429 3.093 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(Cc3nc4ccccc4s3)CC[C@H]21 ZINC000247423813 432229516 /nfs/dbraw/zinc/22/95/16/432229516.db2.gz ZGIQCOKLGJOKBP-DZGCQCFKSA-N 1 0 301.459 3.212 10 0 DGAERO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c2ccccc2n1 ZINC000247466675 432231192 /nfs/dbraw/zinc/23/11/92/432231192.db2.gz UVQHCRCCPRXWDU-ACJLOTCBSA-N 1 0 311.429 3.002 10 0 DGAERO c1cnn(-c2cccc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)c2)c1 ZINC000355209991 266000502 /nfs/dbraw/zinc/00/05/02/266000502.db2.gz SBYDGRKJIXOESG-ZWKOTPCHSA-N 1 0 311.429 3.121 10 0 DGAERO c1c(C2CC2)nn2ccnc(NC[C@@H]3CC[N@@H+]3C3CCCC3)c12 ZINC000631404183 424834517 /nfs/dbraw/zinc/83/45/17/424834517.db2.gz SXYZTCUYZGORFZ-HNNXBMFYSA-N 1 0 311.433 3.036 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CC[C@H]1CCCCO1 ZINC000355768540 266177143 /nfs/dbraw/zinc/17/71/43/266177143.db2.gz PGRUMJWJUWEDAU-CQSZACIVSA-N 1 0 303.431 3.254 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000191192528 432232433 /nfs/dbraw/zinc/23/24/33/432232433.db2.gz HGWPQJYFGUVIOV-RYUDHWBXSA-N 1 0 304.365 3.214 10 0 DGAERO C[C@H](C(=O)NC[C@H]1C[C@@H]1c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247476653 432234419 /nfs/dbraw/zinc/23/44/19/432234419.db2.gz IIVMKHHMHNNZIL-JAPOXJDPSA-N 1 0 300.446 3.168 10 0 DGAERO C[C@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182865607 432236223 /nfs/dbraw/zinc/23/62/23/432236223.db2.gz AHWVKZJUAMFKPE-LTIDMASMSA-N 1 0 321.509 3.469 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCc2cccs2)[C@@H](C)C1 ZINC000247496835 432235029 /nfs/dbraw/zinc/23/50/29/432235029.db2.gz UQOYHFCPTCIDMH-GOEBONIOSA-N 1 0 308.491 3.260 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CSc3ccccc32)[C@@H](C)C1 ZINC000247490391 432235279 /nfs/dbraw/zinc/23/52/79/432235279.db2.gz UFMJAOJAQIJHQI-IMJJTQAJSA-N 1 0 318.486 3.065 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC[C@H]2c2ccccc2)C1 ZINC000247504421 432236148 /nfs/dbraw/zinc/23/61/48/432236148.db2.gz XVFPAFRQMLGZAN-NXHRZFHOSA-N 1 0 315.461 3.262 10 0 DGAERO CCC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000247505872 432237306 /nfs/dbraw/zinc/23/73/06/432237306.db2.gz ONIXHMFMSBNYHI-IRXDYDNUSA-N 1 0 301.434 3.017 10 0 DGAERO CCc1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC)C2)o1 ZINC000151334217 432238183 /nfs/dbraw/zinc/23/81/83/432238183.db2.gz KBMBEOKEQKNLDJ-AWEZNQCLSA-N 1 0 300.402 3.219 10 0 DGAERO C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000247521968 432238421 /nfs/dbraw/zinc/23/84/21/432238421.db2.gz NMJSOQSNZBVSBS-WDEREUQCSA-N 1 0 304.217 3.217 10 0 DGAERO C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000247521962 432238676 /nfs/dbraw/zinc/23/86/76/432238676.db2.gz NMJSOQSNZBVSBS-GHMZBOCLSA-N 1 0 304.217 3.217 10 0 DGAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000172862666 432239748 /nfs/dbraw/zinc/23/97/48/432239748.db2.gz PWZCQZILJXHEFY-MSOLQXFVSA-N 1 0 304.478 3.193 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(-c2ccccc2)s1 ZINC000247531330 432239249 /nfs/dbraw/zinc/23/92/49/432239249.db2.gz XNJIJUUFBZOLRM-ZBFHGGJFSA-N 1 0 313.470 3.479 10 0 DGAERO C[C@@H]1CCC[C@H](CC[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)C1 ZINC000182900606 432240648 /nfs/dbraw/zinc/24/06/48/432240648.db2.gz NHWHIAPPZZTKOU-AQNXPRMDSA-N 1 0 321.553 3.305 10 0 DGAERO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247565415 432241692 /nfs/dbraw/zinc/24/16/92/432241692.db2.gz RFNNGAJBMDCZIA-HOCLYGCPSA-N 1 0 324.415 3.213 10 0 DGAERO C[C@@H](NC(=O)N1CCCC1(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938887 432243056 /nfs/dbraw/zinc/24/30/56/432243056.db2.gz LLUPYHNTYYJQMQ-CABCVRRESA-N 1 0 307.482 3.223 10 0 DGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000247598698 432243156 /nfs/dbraw/zinc/24/31/56/432243156.db2.gz TVOOUCAVGRFKBB-BEFAXECRSA-N 1 0 323.440 3.390 10 0 DGAERO O[C@@H](CN1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1 ZINC000191319804 432249817 /nfs/dbraw/zinc/24/98/17/432249817.db2.gz ICWOSBMOIHXREF-IBGZPJMESA-N 1 0 308.510 3.126 10 0 DGAERO CC(C)[C@H](CNC(=O)Nc1nccs1)[NH+]1CCCCCC1 ZINC000042758953 270941187 /nfs/dbraw/zinc/94/11/87/270941187.db2.gz DWQNVBPBNTVTPQ-ZDUSSCGKSA-N 1 0 310.467 3.165 10 0 DGAERO CC(C)c1cc(C(=O)NCC(C)(C)C[NH+](C)C)nn1C(C)(C)C ZINC000044278554 270947436 /nfs/dbraw/zinc/94/74/36/270947436.db2.gz TWPZQSFWJXLWQK-UHFFFAOYSA-N 1 0 322.497 3.079 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000172979122 432250322 /nfs/dbraw/zinc/25/03/22/432250322.db2.gz VEDNUPACXHOOOF-KRWDZBQOSA-N 1 0 307.397 3.201 10 0 DGAERO c1csc([C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)N2CCCC2)c1 ZINC000367620681 271054711 /nfs/dbraw/zinc/05/47/11/271054711.db2.gz QSLMINPXMNFXNY-GDBMZVCRSA-N 1 0 316.474 3.275 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000368098592 271134179 /nfs/dbraw/zinc/13/41/79/271134179.db2.gz BWCPKDUXLSJDDA-SJKOYZFVSA-N 1 0 306.413 3.416 10 0 DGAERO CN(Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C1CC1 ZINC000368616188 271181065 /nfs/dbraw/zinc/18/10/65/271181065.db2.gz SBDIEMIRFPAVEC-ICSRJNTNSA-N 1 0 324.472 3.287 10 0 DGAERO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(O)c3ccccc3c2)CC1 ZINC000369289985 271259464 /nfs/dbraw/zinc/25/94/64/271259464.db2.gz HHAFPKYNVMSXHP-INIZCTEOSA-N 1 0 312.413 3.102 10 0 DGAERO O=C1O[C@H](C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC12CC2 ZINC000369351984 271267433 /nfs/dbraw/zinc/26/74/33/271267433.db2.gz HAVFBCMLNQWMIG-HNNXBMFYSA-N 1 0 324.424 3.443 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H]2CC3(CC3)C(=O)O2)o1 ZINC000369734998 271316572 /nfs/dbraw/zinc/31/65/72/271316572.db2.gz BIPAYVVIWVLLHD-CFVMTHIKSA-N 1 0 303.402 3.457 10 0 DGAERO CC(=O)Oc1ccc(CN2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000370023074 271336700 /nfs/dbraw/zinc/33/67/00/271336700.db2.gz WFICUZPDSZCDPI-GOSISDBHSA-N 1 0 313.401 3.073 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC000370486518 271363971 /nfs/dbraw/zinc/36/39/71/271363971.db2.gz YHKZRCGLZLQDJT-NYTXWWLZSA-N 1 0 303.450 3.407 10 0 DGAERO Cc1nccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000370561531 271370373 /nfs/dbraw/zinc/37/03/73/271370373.db2.gz MNOBFMNMGIBHMX-IRXDYDNUSA-N 1 0 315.417 3.246 10 0 DGAERO Cc1ccc(C(=O)CC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247880299 432252949 /nfs/dbraw/zinc/25/29/49/432252949.db2.gz BONHZGLNQNZSMH-PKOBYXMFSA-N 1 0 301.430 3.195 10 0 DGAERO Cc1ccccc1CCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247913990 432254057 /nfs/dbraw/zinc/25/40/57/432254057.db2.gz ARFHDDHXKYEGEL-CTNGQTDRSA-N 1 0 322.452 3.489 10 0 DGAERO Cc1ccc(F)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247911670 432253750 /nfs/dbraw/zinc/25/37/50/432253750.db2.gz AJJNUVSQMOHREB-MSOLQXFVSA-N 1 0 312.388 3.309 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)CSC(C)(C)C)[C@@H]1c1ccccc1 ZINC000247922168 432253785 /nfs/dbraw/zinc/25/37/85/432253785.db2.gz BZPPNAAECAGORD-ZBFHGGJFSA-N 1 0 306.475 3.080 10 0 DGAERO c1c(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)nnn1Cc1cccnc1 ZINC000183076629 432256439 /nfs/dbraw/zinc/25/64/39/432256439.db2.gz NMDDWHBPXFFYKS-IBGZPJMESA-N 1 0 323.444 3.044 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccccc2)[C@H]1c1ccccc1 ZINC000247984218 432258132 /nfs/dbraw/zinc/25/81/32/432258132.db2.gz HZMUNDDQIZAOGN-UYAOXDASSA-N 1 0 308.425 3.181 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1nccn1C ZINC000183100952 432258351 /nfs/dbraw/zinc/25/83/51/432258351.db2.gz PWOVGFHMIOYMPK-IUODEOHRSA-N 1 0 320.387 3.018 10 0 DGAERO CCOc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000247980055 432258468 /nfs/dbraw/zinc/25/84/68/432258468.db2.gz HINPGEQNPHCJOT-MOPGFXCFSA-N 1 0 324.424 3.261 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)c(C)nn1C ZINC000093008735 274089669 /nfs/dbraw/zinc/08/96/69/274089669.db2.gz NQTPDMBMEXOLSR-KRWDZBQOSA-N 1 0 313.445 3.253 10 0 DGAERO C[C@@H]1CC[C@H](C)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176031403 287731432 /nfs/dbraw/zinc/73/14/32/287731432.db2.gz IKLQULJREMILOS-LSDHHAIUSA-N 1 0 307.482 3.223 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)c1ccc(-n2cncn2)cc1 ZINC000186936842 274254719 /nfs/dbraw/zinc/25/47/19/274254719.db2.gz PYQJWJQAVUEAQE-KGLIPLIRSA-N 1 0 316.474 3.450 10 0 DGAERO Cc1cc(C)cc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c1 ZINC000071790612 274691101 /nfs/dbraw/zinc/69/11/01/274691101.db2.gz GRDJSTQQMVNOOT-HZPDHXFCSA-N 1 0 304.434 3.355 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000121547966 274759585 /nfs/dbraw/zinc/75/95/85/274759585.db2.gz HPJKWWMKSADEPC-KBPBESRZSA-N 1 0 318.442 3.054 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nccn2-c2ccccc2)[C@H](C)C1 ZINC000191396989 432259445 /nfs/dbraw/zinc/25/94/45/432259445.db2.gz UMKHXVLAYJUOBE-SJLPKXTDSA-N 1 0 312.461 3.034 10 0 DGAERO Brc1cccc2c1OCC[C@@H]2[NH2+]CC1=CCCOC1 ZINC000281961299 275374987 /nfs/dbraw/zinc/37/49/87/275374987.db2.gz JINTZWSKLPOKFH-AWEZNQCLSA-N 1 0 324.218 3.209 10 0 DGAERO Brc1cccc2c1OCC[C@H]2[NH2+]Cc1cc[nH]c1 ZINC000282167860 275375211 /nfs/dbraw/zinc/37/52/11/275375211.db2.gz YGMUNFGNNHFHBB-CYBMUJFWSA-N 1 0 307.191 3.391 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1cccc2ccccc21 ZINC000183104749 432260668 /nfs/dbraw/zinc/26/06/68/432260668.db2.gz YQOBHCUQUCQQKK-DEYYWGMASA-N 1 0 312.413 3.324 10 0 DGAERO COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCCO3)co2)cc1 ZINC000183103766 432260691 /nfs/dbraw/zinc/26/06/91/432260691.db2.gz ITTWYBZXLCONHU-BLLLJJGKSA-N 1 0 302.374 3.007 10 0 DGAERO CCC1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)COC1 ZINC000453380799 275964273 /nfs/dbraw/zinc/96/42/73/275964273.db2.gz RHHRQGAMZPLMQZ-CQSZACIVSA-N 1 0 314.351 3.494 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncc(Br)cc1C ZINC000228322412 276170496 /nfs/dbraw/zinc/17/04/96/276170496.db2.gz CYWAMNQBKWZHQB-CYBMUJFWSA-N 1 0 312.255 3.073 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H](C)CC2)[C@H](C)C1 ZINC000190934582 276398037 /nfs/dbraw/zinc/39/80/37/276398037.db2.gz QNBSNSMJRCLNQN-HZMVEIRTSA-N 1 0 309.498 3.327 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](SC)C2)C12CCOCC2 ZINC000248985055 276481071 /nfs/dbraw/zinc/48/10/71/276481071.db2.gz JUBQFSSANAZBPX-LVQVYYBASA-N 1 0 313.507 3.224 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1cnn(C)c1 ZINC000167463139 276589874 /nfs/dbraw/zinc/58/98/74/276589874.db2.gz DQQFZQBZWKLZQS-CJNGLKHVSA-N 1 0 320.387 3.018 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccccc1)C(C)C)CC2 ZINC000187328768 276703521 /nfs/dbraw/zinc/70/35/21/276703521.db2.gz YRHVPEVCZOUOHC-IAGOWNOFSA-N 1 0 312.461 3.012 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000184263138 276891748 /nfs/dbraw/zinc/89/17/48/276891748.db2.gz SGWWGUXAWQICTE-INIZCTEOSA-N 1 0 313.376 3.094 10 0 DGAERO CN1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000249273915 277081817 /nfs/dbraw/zinc/08/18/17/277081817.db2.gz KFSJZENUYMUGTJ-ZFWWWQNUSA-N 1 0 309.251 3.120 10 0 DGAERO CC(C)(C)c1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n(C(C)(C)C)n1 ZINC000261883594 277265489 /nfs/dbraw/zinc/26/54/89/277265489.db2.gz ZIUNUAYEMQSWFP-CHWSQXEVSA-N 1 0 320.481 3.249 10 0 DGAERO CC(C)[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1F ZINC000182130016 277759953 /nfs/dbraw/zinc/75/99/53/277759953.db2.gz KLNAHWKIJDODIC-CZUORRHYSA-N 1 0 314.832 3.096 10 0 DGAERO COc1c(C)cnc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1C ZINC000128353022 277786206 /nfs/dbraw/zinc/78/62/06/277786206.db2.gz MBLVAJOETCTKCG-DOTOQJQBSA-N 1 0 314.433 3.177 10 0 DGAERO COc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c(C)c1 ZINC000071790458 277935470 /nfs/dbraw/zinc/93/54/70/277935470.db2.gz MJMUMGUSLIDKJG-HZPDHXFCSA-N 1 0 320.433 3.055 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)[C@H](C)O1 ZINC000449155917 278026120 /nfs/dbraw/zinc/02/61/20/278026120.db2.gz CLYAARSUJQZPIR-JLHDYFKBSA-N 1 0 308.491 3.287 10 0 DGAERO CC(=O)N1CC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)[C@H](C)C1 ZINC000474281829 278041590 /nfs/dbraw/zinc/04/15/90/278041590.db2.gz FFWODEJMIFVFCE-VQIMIIECSA-N 1 0 302.462 3.369 10 0 DGAERO CC(C)c1nnc(CSCC[N@H+](C)Cc2ccccc2)n1C ZINC000193624170 278101125 /nfs/dbraw/zinc/10/11/25/278101125.db2.gz IGGXIQSYSRBTEY-UHFFFAOYSA-N 1 0 318.490 3.304 10 0 DGAERO C[C@H](C[N@@H+]1CCCC12CCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000449282425 278184781 /nfs/dbraw/zinc/18/47/81/278184781.db2.gz HLRSFILEQDRXSA-CQSZACIVSA-N 1 0 307.459 3.212 10 0 DGAERO CC(=O)OC1[C@H](c2ccccc2)C[NH+](C)C[C@H]1c1ccccc1 ZINC000001593581 278218164 /nfs/dbraw/zinc/21/81/64/278218164.db2.gz XLBMAPKTUAGXGL-OALUTQOASA-N 1 0 309.409 3.431 10 0 DGAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1F ZINC000191584422 278264534 /nfs/dbraw/zinc/26/45/34/278264534.db2.gz GFTFHGBXAAQPEL-CYBMUJFWSA-N 1 0 324.827 3.063 10 0 DGAERO CC1(C)CN(Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000261637019 278336611 /nfs/dbraw/zinc/33/66/11/278336611.db2.gz FXNJZINIHKHGNQ-KRWDZBQOSA-N 1 0 321.896 3.499 10 0 DGAERO C[C@@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccccc1-n1cccn1 ZINC000193088905 278348118 /nfs/dbraw/zinc/34/81/18/278348118.db2.gz GQJRQAKPEADALC-CRAIPNDOSA-N 1 0 315.417 3.066 10 0 DGAERO C[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C1CCCC1 ZINC000184642412 278360011 /nfs/dbraw/zinc/36/00/11/278360011.db2.gz OPSBJUVOMDTAMD-SNVBAGLBSA-N 1 0 317.458 3.142 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@H](c2cc(F)cc(F)c2)C1 ZINC000044136337 278404915 /nfs/dbraw/zinc/40/49/15/278404915.db2.gz SELFEUKUPAZDDY-UONOGXRCSA-N 1 0 312.360 3.017 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000282307947 278854782 /nfs/dbraw/zinc/85/47/82/278854782.db2.gz DINPEBOCBRQDAY-KMUNFCNLSA-N 1 0 310.235 3.451 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000068223581 431115542 /nfs/dbraw/zinc/11/55/42/431115542.db2.gz AOADPPVOBRXBTE-LBPRGKRZSA-N 1 0 305.397 3.013 10 0 DGAERO Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000068223522 431116214 /nfs/dbraw/zinc/11/62/14/431116214.db2.gz QSLLVYMYBWDJKD-HNNXBMFYSA-N 1 0 315.461 3.111 10 0 DGAERO Cc1nc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)sc1C ZINC000185704371 279098540 /nfs/dbraw/zinc/09/85/40/279098540.db2.gz GCGLOXRCDUFQLI-LLVKDONJSA-N 1 0 310.467 3.146 10 0 DGAERO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000156106943 279206215 /nfs/dbraw/zinc/20/62/15/279206215.db2.gz YLFXUCPYRLYMLN-CRAIPNDOSA-N 1 0 324.424 3.390 10 0 DGAERO CC(C)(CNC(=O)c1cccc2ncccc21)[NH+]1CCCCC1 ZINC000068740958 431138193 /nfs/dbraw/zinc/13/81/93/431138193.db2.gz CYZMUIWGNMKXSA-UHFFFAOYSA-N 1 0 311.429 3.229 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000245439110 279300387 /nfs/dbraw/zinc/30/03/87/279300387.db2.gz ZCLYTKKWSZHKCL-MCIONIFRSA-N 1 0 322.399 3.011 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000176995406 279324719 /nfs/dbraw/zinc/32/47/19/279324719.db2.gz JRCYPBOMEPUOCY-INIZCTEOSA-N 1 0 320.864 3.314 10 0 DGAERO Cn1cccc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245898046 279369661 /nfs/dbraw/zinc/36/96/61/279369661.db2.gz PMUIXARJNJSSDY-IRXDYDNUSA-N 1 0 303.837 3.214 10 0 DGAERO CC(C)[NH+](CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000109079045 431170394 /nfs/dbraw/zinc/17/03/94/431170394.db2.gz VGVMGCIKPPTIDM-LSDHHAIUSA-N 1 0 324.415 3.303 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cn1 ZINC000111212181 431201302 /nfs/dbraw/zinc/20/13/02/431201302.db2.gz IABVVRIRQKYZHS-UHFFFAOYSA-N 1 0 311.429 3.218 10 0 DGAERO Cc1cnn(CCCCC[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000111229525 431201843 /nfs/dbraw/zinc/20/18/43/431201843.db2.gz AOCKAHKNYCNHRC-GOSISDBHSA-N 1 0 315.465 3.204 10 0 DGAERO c1cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc2c1OCC2 ZINC000111232191 431198962 /nfs/dbraw/zinc/19/89/62/431198962.db2.gz JOGIHMIJRQEMOJ-SFHVURJKSA-N 1 0 300.446 3.072 10 0 DGAERO CCCO[C@@H]1CCC[N@H+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000108493965 431147448 /nfs/dbraw/zinc/14/74/48/431147448.db2.gz PKAUFVSTKQFDHF-MRXNPFEDSA-N 1 0 306.450 3.488 10 0 DGAERO C[N@H+](CCNC(=O)CCC(=O)c1ccccc1)C1CCCCC1 ZINC000068905363 431150871 /nfs/dbraw/zinc/15/08/71/431150871.db2.gz ZEAFVDNLIFXNTE-UHFFFAOYSA-N 1 0 316.445 3.030 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000069683412 431212895 /nfs/dbraw/zinc/21/28/95/431212895.db2.gz JZXMJQDERAZVQD-GOSISDBHSA-N 1 0 324.424 3.341 10 0 DGAERO CC(C)c1nnc2n1C[C@@H](C[NH2+]Cc1cc3ccccc3o1)CC2 ZINC000069815247 431224652 /nfs/dbraw/zinc/22/46/52/431224652.db2.gz UOTIPHULMCJDSI-CQSZACIVSA-N 1 0 324.428 3.500 10 0 DGAERO C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[NH2+]1 ZINC000002583495 431258704 /nfs/dbraw/zinc/25/87/04/431258704.db2.gz AVZLYHYAHLWNGR-AWEZNQCLSA-N 1 0 322.408 3.229 10 0 DGAERO CC[C@H](CNc1cc(C)nc(-c2ccncc2)n1)[NH+]1CCCC1 ZINC000112074252 431246594 /nfs/dbraw/zinc/24/65/94/431246594.db2.gz DELJANWOFVJXQS-MRXNPFEDSA-N 1 0 311.433 3.133 10 0 DGAERO C[C@H](NC(=O)c1ccccc1CC[NH3+])c1ccc(Cl)s1 ZINC000070552004 431251957 /nfs/dbraw/zinc/25/19/57/431251957.db2.gz UJEVYKHJTPBQOU-JTQLQIEISA-N 1 0 308.834 3.394 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112719452 431300651 /nfs/dbraw/zinc/30/06/51/431300651.db2.gz QERVSRCIGJDKFV-MAUKXSAKSA-N 1 0 315.461 3.270 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)cc1Br ZINC000112794252 431306819 /nfs/dbraw/zinc/30/68/19/431306819.db2.gz UYZVLXQIQRIXEG-CMPLNLGQSA-N 1 0 314.223 3.287 10 0 DGAERO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1)CC1CC1 ZINC000112983783 431319292 /nfs/dbraw/zinc/31/92/92/431319292.db2.gz DCKGCLFVPCDUSG-SFHVURJKSA-N 1 0 316.445 3.091 10 0 DGAERO COC[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000112986926 431320659 /nfs/dbraw/zinc/32/06/59/431320659.db2.gz FFHDVHKCVFBHET-AWEZNQCLSA-N 1 0 316.401 3.209 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)SCc1ccccc1 ZINC000072012943 431326589 /nfs/dbraw/zinc/32/65/89/431326589.db2.gz AYPXRNNRJJOQPR-NVXWUHKLSA-N 1 0 322.518 3.401 10 0 DGAERO Cc1cc2[nH]c(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cc2c(C)c1 ZINC000113228970 431335601 /nfs/dbraw/zinc/33/56/01/431335601.db2.gz CVIHCVZTJBZAIV-GJZGRUSLSA-N 1 0 311.429 3.093 10 0 DGAERO Cc1oc(-c2cccs2)nc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113268138 431337925 /nfs/dbraw/zinc/33/79/25/431337925.db2.gz NXQFEKZCQNECEZ-JSGCOSHPSA-N 1 0 317.458 3.380 10 0 DGAERO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000113454513 431348164 /nfs/dbraw/zinc/34/81/64/431348164.db2.gz NEZGCFOLAQJUCD-CYBMUJFWSA-N 1 0 316.376 3.109 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCc1ccccc1F)c1cccc(Cl)c1 ZINC000007500335 431352347 /nfs/dbraw/zinc/35/23/47/431352347.db2.gz MWXFUVGFPDEYET-LBPRGKRZSA-N 1 0 320.795 3.446 10 0 DGAERO C[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000261857105 279714617 /nfs/dbraw/zinc/71/46/17/279714617.db2.gz RBKSATJQHVYQFP-GXTWGEPZSA-N 1 0 315.442 3.010 10 0 DGAERO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000114778740 431413065 /nfs/dbraw/zinc/41/30/65/431413065.db2.gz LBWVJVRKSQRMAI-GOSISDBHSA-N 1 0 309.413 3.473 10 0 DGAERO CCc1oc2ccccc2c1C[N@H+](C)CCC(=O)NC(C)C ZINC000073604002 431374755 /nfs/dbraw/zinc/37/47/55/431374755.db2.gz CCQHFHHKLBMKQG-UHFFFAOYSA-N 1 0 302.418 3.342 10 0 DGAERO CC(C)c1ccc([C@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008038051 431376202 /nfs/dbraw/zinc/37/62/02/431376202.db2.gz DCBAFHWPQGHELX-KRWDZBQOSA-N 1 0 321.417 3.423 10 0 DGAERO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000114475025 431390096 /nfs/dbraw/zinc/39/00/96/431390096.db2.gz DEJOVAQKHDWWCC-WMLDXEAASA-N 1 0 318.461 3.383 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000008315400 431392567 /nfs/dbraw/zinc/39/25/67/431392567.db2.gz MEZXXWMWAWAXML-LLVKDONJSA-N 1 0 322.330 3.071 10 0 DGAERO C[C@H](C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCCCC1 ZINC000074194558 431403049 /nfs/dbraw/zinc/40/30/49/431403049.db2.gz KRFLVWVEVPVPTC-RDBSUJKOSA-N 1 0 320.399 3.488 10 0 DGAERO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C1CCC1)c1ccccc1 ZINC000074210750 431407059 /nfs/dbraw/zinc/40/70/59/431407059.db2.gz YPSRFRZMXFPWJC-AWEZNQCLSA-N 1 0 303.450 3.310 10 0 DGAERO C[C@H](c1ccccc1)N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075313414 431468359 /nfs/dbraw/zinc/46/83/59/431468359.db2.gz ABIPAGGCZZHBRD-CCNLRDMRSA-N 1 0 315.461 3.404 10 0 DGAERO Cc1ccccc1[C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075313999 431469435 /nfs/dbraw/zinc/46/94/35/431469435.db2.gz FGJCSCLLAKNOFO-MGNMYUMUSA-N 1 0 315.461 3.371 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000115694209 431471189 /nfs/dbraw/zinc/47/11/89/431471189.db2.gz FDZVSPIHFAUQAU-CZUORRHYSA-N 1 0 321.440 3.265 10 0 DGAERO CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H](C)c1cccnc1 ZINC000115782758 431471633 /nfs/dbraw/zinc/47/16/33/431471633.db2.gz UCHMOPTZDQLFDU-INIZCTEOSA-N 1 0 320.481 3.293 10 0 DGAERO C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115782599 431472085 /nfs/dbraw/zinc/47/20/85/431472085.db2.gz LVWXEGQCWHQOQF-CXAGYDPISA-N 1 0 321.440 3.265 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115780897 431472823 /nfs/dbraw/zinc/47/28/23/431472823.db2.gz ILAYHSMRTWUZAE-JKSUJKDBSA-N 1 0 303.450 3.039 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000116546200 431517144 /nfs/dbraw/zinc/51/71/44/431517144.db2.gz RXJMTKIUQZGKNN-HZPDHXFCSA-N 1 0 319.449 3.247 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@H]1c1ccco1)C[NH+]1CCCCC1 ZINC000116534836 431518190 /nfs/dbraw/zinc/51/81/90/431518190.db2.gz NRFYUXKMHSHWJU-HOTGVXAUSA-N 1 0 319.449 3.248 10 0 DGAERO COc1ccccc1-c1nnc(C[N@@H+]2C[C@H](C)CC[C@H]2C)o1 ZINC000076150310 431529625 /nfs/dbraw/zinc/52/96/25/431529625.db2.gz FWULPWOPWGUOPT-CHWSQXEVSA-N 1 0 301.390 3.366 10 0 DGAERO C[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000076149868 431530407 /nfs/dbraw/zinc/53/04/07/431530407.db2.gz HWJNRBAOUXXFAK-ZIAGYGMSSA-N 1 0 306.475 3.143 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)C2)cn1 ZINC000116319581 431504444 /nfs/dbraw/zinc/50/44/44/431504444.db2.gz KRBBWZUOGWCVRK-LBPRGKRZSA-N 1 0 314.414 3.126 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000116420887 431509556 /nfs/dbraw/zinc/50/95/56/431509556.db2.gz APIYGDHCHRAMOO-HIFRSBDPSA-N 1 0 309.454 3.315 10 0 DGAERO C[N@H+](CCNC(=O)N1CCC[C@@H]1c1ccco1)C1CCCC1 ZINC000116430107 431512073 /nfs/dbraw/zinc/51/20/73/431512073.db2.gz ZEKHMLWWXDGPAE-OAHLLOKOSA-N 1 0 305.422 3.001 10 0 DGAERO CC(C)[NH+](CCNC(=O)N1CCC[C@@H]1c1ccco1)C(C)C ZINC000116520648 431514804 /nfs/dbraw/zinc/51/48/04/431514804.db2.gz KJAVMFMWZMBXQA-OAHLLOKOSA-N 1 0 307.438 3.245 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@@H+]([C@@H](C)c3nnc(C)o3)C2)cc1 ZINC000076390042 431547416 /nfs/dbraw/zinc/54/74/16/431547416.db2.gz NNSFQTKPRMZQGT-SLEUVZQESA-N 1 0 301.390 3.326 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000076485522 431553012 /nfs/dbraw/zinc/55/30/12/431553012.db2.gz OBVDAKNDPZGHCL-MNOVXSKESA-N 1 0 300.855 3.204 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ncccc3c2)[C@H](C)C1 ZINC000076484133 431553775 /nfs/dbraw/zinc/55/37/75/431553775.db2.gz RLUOJZGEJLIRBV-RDTXWAMCSA-N 1 0 311.429 3.037 10 0 DGAERO CCCC[C@H](CC)CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000117256291 431555020 /nfs/dbraw/zinc/55/50/20/431555020.db2.gz SMEPDOFZNVLMLM-SJORKVTESA-N 1 0 324.509 3.305 10 0 DGAERO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000013727775 431566439 /nfs/dbraw/zinc/56/64/39/431566439.db2.gz XMFNHTORSZRZDU-UHFFFAOYSA-N 1 0 308.425 3.456 10 0 DGAERO CCOc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCC ZINC000013727085 431566602 /nfs/dbraw/zinc/56/66/02/431566602.db2.gz APSHZEISNWPQEU-UHFFFAOYSA-N 1 0 315.841 3.390 10 0 DGAERO C[C@H]1[C@H](NC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000309844439 280118149 /nfs/dbraw/zinc/11/81/49/280118149.db2.gz XMCMPADWYFOUTC-MAUKXSAKSA-N 1 0 315.461 3.281 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000076988110 431568876 /nfs/dbraw/zinc/56/88/76/431568876.db2.gz CONHARVOGIFGIO-GBESFXJTSA-N 1 0 314.473 3.466 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000077205084 431573665 /nfs/dbraw/zinc/57/36/65/431573665.db2.gz CCFRFHHFNIGXMR-GWCFXTLKSA-N 1 0 305.390 3.376 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000077204655 431572175 /nfs/dbraw/zinc/57/21/75/431572175.db2.gz MXEUOUGUVNITMT-CABZTGNLSA-N 1 0 304.253 3.151 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470941501 280244638 /nfs/dbraw/zinc/24/46/38/280244638.db2.gz WMOQJWAAVZBALD-RQJABVFESA-N 1 0 320.399 3.439 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000118422389 431602095 /nfs/dbraw/zinc/60/20/95/431602095.db2.gz USWLRYBNDCPRJG-PBHICJAKSA-N 1 0 306.475 3.080 10 0 DGAERO CC(C)[N@H+](Cc1nc(-c2cccs2)no1)C1CCOCC1 ZINC000077323219 431585417 /nfs/dbraw/zinc/58/54/17/431585417.db2.gz CVKPJXYZYQMRLU-UHFFFAOYSA-N 1 0 307.419 3.188 10 0 DGAERO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCC1(C)C ZINC000077382403 431591468 /nfs/dbraw/zinc/59/14/68/431591468.db2.gz CBYZLDJNNOLEBU-AWEZNQCLSA-N 1 0 306.475 3.458 10 0 DGAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000119195005 431658550 /nfs/dbraw/zinc/65/85/50/431658550.db2.gz UXFDHGVCLDNVFZ-JKSUJKDBSA-N 1 0 320.477 3.077 10 0 DGAERO c1cc2ncnc(N3CCCC[C@@H]([NH+]4CCCC4)C3)c2s1 ZINC000264636360 280474847 /nfs/dbraw/zinc/47/48/47/280474847.db2.gz UYPBXDODNJTTFS-CYBMUJFWSA-N 1 0 302.447 3.146 10 0 DGAERO COc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)c(SC)cc1OC ZINC000077988425 431631660 /nfs/dbraw/zinc/63/16/60/431631660.db2.gz UNPPYCREEWHOTR-DGCLKSJQSA-N 1 0 311.447 3.083 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000119294827 431673841 /nfs/dbraw/zinc/67/38/41/431673841.db2.gz WUMKYSMCYOQPRD-INIZCTEOSA-N 1 0 317.433 3.146 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000078518391 431677866 /nfs/dbraw/zinc/67/78/66/431677866.db2.gz IHRVIPRUJJQCAD-BDAKNGLRSA-N 1 0 301.217 3.311 10 0 DGAERO C[C@@H](C1CC1)[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000078535528 431680024 /nfs/dbraw/zinc/68/00/24/431680024.db2.gz YPWLBOSWIHXYSB-UGSOOPFHSA-N 1 0 323.864 3.480 10 0 DGAERO Fc1ccccc1CC[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000078617358 431687787 /nfs/dbraw/zinc/68/77/87/431687787.db2.gz DSLJKYORLLYKTD-IRXDYDNUSA-N 1 0 307.409 3.028 10 0 DGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000078691172 431697836 /nfs/dbraw/zinc/69/78/36/431697836.db2.gz FZCXCRUHPIIPRS-STQMWFEESA-N 1 0 310.413 3.180 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119548792 431708071 /nfs/dbraw/zinc/70/80/71/431708071.db2.gz MFVJRMWANCQICM-NVXWUHKLSA-N 1 0 310.482 3.009 10 0 DGAERO CCN(Cc1cccs1)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079495387 431726599 /nfs/dbraw/zinc/72/65/99/431726599.db2.gz TWGVRAKRNLBYNE-CQSZACIVSA-N 1 0 311.495 3.256 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000079532488 431729048 /nfs/dbraw/zinc/72/90/48/431729048.db2.gz LIAJZFDGNUPPLX-HNNXBMFYSA-N 1 0 310.507 3.472 10 0 DGAERO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1nnnn1C(C)C ZINC000120507267 431731796 /nfs/dbraw/zinc/73/17/96/431731796.db2.gz MTLSOZZAKUDFMA-MRXNPFEDSA-N 1 0 301.438 3.097 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(F)c1Cl ZINC000079757429 431745158 /nfs/dbraw/zinc/74/51/58/431745158.db2.gz MCNDIQZPXPPWCP-NSHDSACASA-N 1 0 300.805 3.185 10 0 DGAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)o1 ZINC000030902572 431747973 /nfs/dbraw/zinc/74/79/73/431747973.db2.gz ZCIPLASDMUCRJE-CZUORRHYSA-N 1 0 308.385 3.274 10 0 DGAERO CC[N@H+](CCNC(=O)CCc1c[nH]c2ccc(C)cc12)C1CC1 ZINC000081344570 431788737 /nfs/dbraw/zinc/78/87/37/431788737.db2.gz SBDFXIQAKCLRFF-UHFFFAOYSA-N 1 0 313.445 3.009 10 0 DGAERO O[C@@H]1C[C@H](c2cc(F)ccc2F)N(CCOc2ccccc2)C1 ZINC000121490692 431792421 /nfs/dbraw/zinc/79/24/21/431792421.db2.gz OBUDEZKHVQZBTD-RDTXWAMCSA-N 1 0 319.351 3.152 10 0 DGAERO CC(C)C[C@H](CNC(=O)C/C=C/c1ccc(F)cc1)[NH+](C)C ZINC000081724720 431798156 /nfs/dbraw/zinc/79/81/56/431798156.db2.gz XXYKCAAZVZKQAV-FUTAKVPZSA-N 1 0 306.425 3.322 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000121547831 431801036 /nfs/dbraw/zinc/80/10/36/431801036.db2.gz HPJKWWMKSADEPC-KGLIPLIRSA-N 1 0 318.442 3.054 10 0 DGAERO Cc1cc(C)n2c(C[N@H+](C)CCOc3ccccc3C)cnc2n1 ZINC000121536881 431801878 /nfs/dbraw/zinc/80/18/78/431801878.db2.gz USOWPTYIAOSSJJ-UHFFFAOYSA-N 1 0 324.428 3.165 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000121542000 431801898 /nfs/dbraw/zinc/80/18/98/431801898.db2.gz OXFGJNDLEVJBGH-ZFWWWQNUSA-N 1 0 321.367 3.364 10 0 DGAERO CCc1ccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000033128922 431807936 /nfs/dbraw/zinc/80/79/36/431807936.db2.gz VFVIIWPTTQOVTB-UHFFFAOYSA-N 1 0 309.413 3.499 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1 ZINC000084074394 431814200 /nfs/dbraw/zinc/81/42/00/431814200.db2.gz SUVXHZOBDQBSLU-CQSZACIVSA-N 1 0 308.447 3.071 10 0 DGAERO C[N@H+]1Cc2c3c(ccc2[C@H](c2cc(F)cc(F)c2)C1)OCC3 ZINC000033977390 431816515 /nfs/dbraw/zinc/81/65/15/431816515.db2.gz ASVFGVKPPVVAPT-INIZCTEOSA-N 1 0 301.336 3.477 10 0 DGAERO CCC1(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCC1 ZINC000084159184 431817213 /nfs/dbraw/zinc/81/72/13/431817213.db2.gz UPKRPIHYMWIRRM-UHFFFAOYSA-N 1 0 321.440 3.267 10 0 DGAERO Cc1ccc(-c2nc3cc(C)cc(C)n3c2N2CC[NH2+]CC2)cc1 ZINC000095936028 280728866 /nfs/dbraw/zinc/72/88/66/280728866.db2.gz ZHLJAXYVTXJWBF-UHFFFAOYSA-N 1 0 320.440 3.336 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095497 431781330 /nfs/dbraw/zinc/78/13/30/431781330.db2.gz BICOHTAYAVGPNZ-VQIMIIECSA-N 1 0 312.461 3.034 10 0 DGAERO C[NH+]1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000081235456 431786157 /nfs/dbraw/zinc/78/61/57/431786157.db2.gz DDWDXXLPYPOFGB-MRXNPFEDSA-N 1 0 306.837 3.249 10 0 DGAERO Cc1ccc(NC(=O)CN2CCC(OCC(C)C)CC2)cc1 ZINC000122792053 431844308 /nfs/dbraw/zinc/84/43/08/431844308.db2.gz QWWRVLUQPRKYSJ-UHFFFAOYSA-N 1 0 304.434 3.071 10 0 DGAERO CCn1cc([C@H](C)[NH2+]CCc2ccc(OC)cc2Cl)cn1 ZINC000122895233 431848268 /nfs/dbraw/zinc/84/82/68/431848268.db2.gz IONOONXHVPVFTP-LBPRGKRZSA-N 1 0 307.825 3.458 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000087087182 431849252 /nfs/dbraw/zinc/84/92/52/431849252.db2.gz DMAYVNWLRFFNKI-KGLIPLIRSA-N 1 0 309.429 3.225 10 0 DGAERO CN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037798649 431850301 /nfs/dbraw/zinc/85/03/01/431850301.db2.gz MYYRCOKBRXBECD-KCXAZCMYSA-N 1 0 306.837 3.219 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000087133749 431850513 /nfs/dbraw/zinc/85/05/13/431850513.db2.gz KQYDTRSGQFTAGH-KGLIPLIRSA-N 1 0 309.429 3.225 10 0 DGAERO COc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988672 431851953 /nfs/dbraw/zinc/85/19/53/431851953.db2.gz DOQNXSTVVWYROV-ZDUSSCGKSA-N 1 0 314.223 3.116 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)COCc1ccco1)c1cccc(Cl)c1 ZINC000037975363 431852326 /nfs/dbraw/zinc/85/23/26/431852326.db2.gz VAUOFOMUIKVOIZ-WFASDCNBSA-N 1 0 309.793 3.161 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N(C)CC2CC[NH+](C)CC2)cc1F ZINC000087282636 431852780 /nfs/dbraw/zinc/85/27/80/431852780.db2.gz HFMDXXWBMGHRIU-CQSZACIVSA-N 1 0 321.440 3.178 10 0 DGAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H](C)N(C)C ZINC000038088611 431854749 /nfs/dbraw/zinc/85/47/49/431854749.db2.gz QKVWDGREKYTPSA-STQMWFEESA-N 1 0 300.393 3.149 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Cl)o1 ZINC000038097602 431855175 /nfs/dbraw/zinc/85/51/75/431855175.db2.gz MGLFXIUPBGHFDK-QWHCGFSZSA-N 1 0 309.793 3.332 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000089151295 431860177 /nfs/dbraw/zinc/86/01/77/431860177.db2.gz NVKQRHVSJSDRFS-JOYOIKCWSA-N 1 0 305.752 3.192 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc(Cl)sc1Cl ZINC000123353363 431862600 /nfs/dbraw/zinc/86/26/00/431862600.db2.gz BOZHSHMHMXLGKY-VHSXEESVSA-N 1 0 323.289 3.426 10 0 DGAERO COC(=O)c1oc([C@H](C)[N@H+](C)CCc2ncc(C)s2)cc1C ZINC000089266616 431862759 /nfs/dbraw/zinc/86/27/59/431862759.db2.gz XEQYADJRGGMXCV-LBPRGKRZSA-N 1 0 322.430 3.375 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123398126 431864381 /nfs/dbraw/zinc/86/43/81/431864381.db2.gz XGZWYNFYOFTYKB-IRXDYDNUSA-N 1 0 320.477 3.093 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123397450 431864431 /nfs/dbraw/zinc/86/44/31/431864431.db2.gz XGZWYNFYOFTYKB-IAGOWNOFSA-N 1 0 320.477 3.093 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2coc(-c3cccs3)n2)CC[N@@H+]1C ZINC000123452213 431865554 /nfs/dbraw/zinc/86/55/54/431865554.db2.gz FGSYYKLRFRTYPK-GXTWGEPZSA-N 1 0 305.447 3.318 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)o1 ZINC000089641256 431873806 /nfs/dbraw/zinc/87/38/06/431873806.db2.gz ITAXHWJBGPZZEL-GFCCVEGCSA-N 1 0 306.431 3.374 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H]1C ZINC000043040329 431866854 /nfs/dbraw/zinc/86/68/54/431866854.db2.gz ACIMNPNGVTUXAH-INMHGKMJSA-N 1 0 307.482 3.081 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(Cl)c1F ZINC000043450137 431868400 /nfs/dbraw/zinc/86/84/00/431868400.db2.gz MMLMXGUCCVNUKE-SNVBAGLBSA-N 1 0 301.793 3.331 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)n1 ZINC000089518079 431868768 /nfs/dbraw/zinc/86/87/68/431868768.db2.gz MRHSTLGBYBKEDP-MNOVXSKESA-N 1 0 316.430 3.312 10 0 DGAERO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCc1nc(C)no1 ZINC000089518403 431869134 /nfs/dbraw/zinc/86/91/34/431869134.db2.gz BAEZJEPMNKNNHO-JTQLQIEISA-N 1 0 309.797 3.323 10 0 DGAERO Cc1ccc(CC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000187242456 280803218 /nfs/dbraw/zinc/80/32/18/280803218.db2.gz YXVHXHWLILMYCZ-KSSFIOAISA-N 1 0 316.470 3.407 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2ncc(-c3cccs3)o2)CC[N@@H+]1C ZINC000123674210 431871692 /nfs/dbraw/zinc/87/16/92/431871692.db2.gz KNNFRGDSAWSWJE-QWHCGFSZSA-N 1 0 305.447 3.318 10 0 DGAERO CC(C)[C@H](C)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000035111788 431824565 /nfs/dbraw/zinc/82/45/65/431824565.db2.gz VKAIQQAIWORXRS-VIFPVBQESA-N 1 0 300.196 3.312 10 0 DGAERO C[C@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccc2ccccc2c1 ZINC000084600713 431830955 /nfs/dbraw/zinc/83/09/55/431830955.db2.gz DXJRJFFFJFKMHP-HNNXBMFYSA-N 1 0 310.441 3.496 10 0 DGAERO CCCCSCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000122432509 431832842 /nfs/dbraw/zinc/83/28/42/431832842.db2.gz YDQBPZVGQXGTEU-UHFFFAOYSA-N 1 0 312.523 3.244 10 0 DGAERO CC(C)(C)[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(F)cc1 ZINC000124973309 431910273 /nfs/dbraw/zinc/91/02/73/431910273.db2.gz UKKLSYNBMPWXCN-HNNXBMFYSA-N 1 0 307.413 3.046 10 0 DGAERO CC(C)[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000047685298 431914632 /nfs/dbraw/zinc/91/46/32/431914632.db2.gz GYRVYZHQDYDPKF-HNNXBMFYSA-N 1 0 303.450 3.126 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000047764905 431915584 /nfs/dbraw/zinc/91/55/84/431915584.db2.gz CPFVUUZNICGMCZ-AWEZNQCLSA-N 1 0 307.438 3.246 10 0 DGAERO CC[C@@H](NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1c(C)noc1C ZINC000125246980 431918274 /nfs/dbraw/zinc/91/82/74/431918274.db2.gz ZHVOOYPVVITRJK-LSDHHAIUSA-N 1 0 324.469 3.018 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)o1 ZINC000048062413 431918723 /nfs/dbraw/zinc/91/87/23/431918723.db2.gz XSTUDFOIECZYBN-AWEZNQCLSA-N 1 0 315.417 3.210 10 0 DGAERO CC[C@@H](NC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1c(C)noc1C ZINC000125247411 431918725 /nfs/dbraw/zinc/91/87/25/431918725.db2.gz ZHVOOYPVVITRJK-HUUCEWRRSA-N 1 0 324.469 3.018 10 0 DGAERO Cn1cc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)c(C(C)(C)C)n1 ZINC000093965661 431919226 /nfs/dbraw/zinc/91/92/26/431919226.db2.gz KMDGTNMWROAKJP-CJNGLKHVSA-N 1 0 307.482 3.258 10 0 DGAERO OCc1nc2ccccc2n1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095078382 431921275 /nfs/dbraw/zinc/92/12/75/431921275.db2.gz ZERKSXXNWXBSEV-KRWDZBQOSA-N 1 0 321.424 3.366 10 0 DGAERO C[C@@H](c1ccc[nH]1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000095089017 431921474 /nfs/dbraw/zinc/92/14/74/431921474.db2.gz VKXIDASFFNUFHP-ZDUSSCGKSA-N 1 0 307.438 3.312 10 0 DGAERO Cc1ccccc1Cn1c2ccccc2nc1N1CCC[NH2+]CC1 ZINC000095090301 431922057 /nfs/dbraw/zinc/92/20/57/431922057.db2.gz KUSRXWWFLSUHEM-UHFFFAOYSA-N 1 0 320.440 3.193 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000125440227 431925158 /nfs/dbraw/zinc/92/51/58/431925158.db2.gz FOPAEHKNVUINTP-APWZRJJASA-N 1 0 305.462 3.325 10 0 DGAERO Fc1ccc(C2([NH2+]Cc3cccnc3)CCOCC2)c(F)c1 ZINC000089802533 431879770 /nfs/dbraw/zinc/87/97/70/431879770.db2.gz HYBVXVLKRYLJNT-UHFFFAOYSA-N 1 0 304.340 3.155 10 0 DGAERO Fc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000089952731 431887428 /nfs/dbraw/zinc/88/74/28/431887428.db2.gz HTEITEFRNYEVJA-CABCVRRESA-N 1 0 313.413 3.451 10 0 DGAERO COC[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000045656250 431887890 /nfs/dbraw/zinc/88/78/90/431887890.db2.gz USQSKWKVAWFIGU-STQMWFEESA-N 1 0 301.377 3.481 10 0 DGAERO C1C[C@H](c2nc(C3CCCCC3)no2)[N@@H+](C2CCOCC2)C1 ZINC000125449966 431925639 /nfs/dbraw/zinc/92/56/39/431925639.db2.gz VACLQRVINWCIFI-OAHLLOKOSA-N 1 0 305.422 3.433 10 0 DGAERO CCc1ccc(C[N@H+](C[C@@H](O)COC(C)(C)C)C2CC2)cc1 ZINC000046061823 431893205 /nfs/dbraw/zinc/89/32/05/431893205.db2.gz NPNJBBULZRMTQO-GOSISDBHSA-N 1 0 305.462 3.389 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC2(C3CC3)CC2)cc1NC(C)=O ZINC000090772928 431894768 /nfs/dbraw/zinc/89/47/68/431894768.db2.gz DIZJCOHLSCVLGJ-LBPRGKRZSA-N 1 0 302.418 3.494 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)ccc1F ZINC000090801587 431895637 /nfs/dbraw/zinc/89/56/37/431895637.db2.gz RPISWHGAFORLGH-DZGCQCFKSA-N 1 0 315.392 3.159 10 0 DGAERO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cn1 ZINC000090880024 431896429 /nfs/dbraw/zinc/89/64/29/431896429.db2.gz SGHZPHLQPHQGBQ-LSDHHAIUSA-N 1 0 324.432 3.457 10 0 DGAERO CC(C)C(=O)NCCC[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000090881295 431896489 /nfs/dbraw/zinc/89/64/89/431896489.db2.gz KPXNTNNTTHCSDL-HNNXBMFYSA-N 1 0 322.424 3.180 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1c1cccs1 ZINC000046280782 431896720 /nfs/dbraw/zinc/89/67/20/431896720.db2.gz IDVVXPPRCAMQPZ-KGLIPLIRSA-N 1 0 309.479 3.325 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CN(C)C)c2ccccc2)C12CCC2 ZINC000124675968 431901038 /nfs/dbraw/zinc/90/10/38/431901038.db2.gz KVAFJYMIBGSYEJ-RCCFBDPRSA-N 1 0 302.462 3.227 10 0 DGAERO Cc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(C)n1C(C)C ZINC000046858741 431902059 /nfs/dbraw/zinc/90/20/59/431902059.db2.gz IKTUHTKKVJTVDV-AWEZNQCLSA-N 1 0 305.466 3.290 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091318855 431904421 /nfs/dbraw/zinc/90/44/21/431904421.db2.gz UDTKFAJOUZBEBV-RTBURBONSA-N 1 0 302.462 3.147 10 0 DGAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3nccs3)CC2)nc1 ZINC000091727820 431904600 /nfs/dbraw/zinc/90/46/00/431904600.db2.gz YFMCLTPCPOTWKQ-CYBMUJFWSA-N 1 0 302.447 3.166 10 0 DGAERO OCC[C@@]1(C[NH2+][C@H](c2cccs2)C2CCCC2)CCOC1 ZINC000091737767 431905187 /nfs/dbraw/zinc/90/51/87/431905187.db2.gz RUUDFNMQBVCKNV-IRXDYDNUSA-N 1 0 309.475 3.358 10 0 DGAERO CCC1CCC(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000127412303 431971456 /nfs/dbraw/zinc/97/14/56/431971456.db2.gz FOWAVONHUBRTLL-NFOMZHRRSA-N 1 0 324.490 3.201 10 0 DGAERO CC[C@@H](CCO)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127492645 431973728 /nfs/dbraw/zinc/97/37/28/431973728.db2.gz ZTBFNZFVQIAGMZ-JTQLQIEISA-N 1 0 304.203 3.086 10 0 DGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C)nc1C ZINC000098104667 431978766 /nfs/dbraw/zinc/97/87/66/431978766.db2.gz MHQFOPLWQMHQMM-UHFFFAOYSA-N 1 0 305.466 3.138 10 0 DGAERO CCCc1cc(NC[C@](C)(O)c2cnn(C)c2)c2ccccc2[nH+]1 ZINC000125469889 431926723 /nfs/dbraw/zinc/92/67/23/431926723.db2.gz OUVVCRDSTDNSDM-IBGZPJMESA-N 1 0 324.428 3.240 10 0 DGAERO [NH3+][C@@H](COC(F)(F)F)c1cc(F)ccc1Br ZINC000096034650 431934199 /nfs/dbraw/zinc/93/41/99/431934199.db2.gz DRPFVTNBIXZVOA-QMMMGPOBSA-N 1 0 302.065 3.124 10 0 DGAERO Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(C)c1 ZINC000049073030 431936156 /nfs/dbraw/zinc/93/61/56/431936156.db2.gz WBOSZKSNAQSJSK-UHFFFAOYSA-N 1 0 300.446 3.251 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1 ZINC000050395107 431947590 /nfs/dbraw/zinc/94/75/90/431947590.db2.gz HWXKAIBPZMLVOZ-OLZOCXBDSA-N 1 0 301.217 3.313 10 0 DGAERO C[C@H]([NH2+]CCCn1ccnn1)c1cc(F)c(Cl)cc1Cl ZINC000126541893 431951937 /nfs/dbraw/zinc/95/19/37/431951937.db2.gz VDZKQXHTIQKNJZ-VIFPVBQESA-N 1 0 317.195 3.465 10 0 DGAERO O=C(NCCC1=CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126578378 431952903 /nfs/dbraw/zinc/95/29/03/431952903.db2.gz QFHQGPRVECCRRI-FUHWJXTLSA-N 1 0 317.477 3.145 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1sccc1Br ZINC000052001018 431954019 /nfs/dbraw/zinc/95/40/19/431954019.db2.gz XCTGHHYTNIFKRR-GDPRMGEGSA-N 1 0 304.253 3.465 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2cccc(F)c2)C1 ZINC000052593690 431956535 /nfs/dbraw/zinc/95/65/35/431956535.db2.gz TUWDVEGPGZKHDA-DLBZAZTESA-N 1 0 319.424 3.157 10 0 DGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cc(Br)cs1 ZINC000052762550 431958189 /nfs/dbraw/zinc/95/81/89/431958189.db2.gz CUNOELWLQVTKLA-NSHDSACASA-N 1 0 304.253 3.248 10 0 DGAERO C[N@H+](C[C@@H](O)COC(C)(C)C)CC12CC3CC(CC(C3)C1)C2 ZINC000052816729 431958424 /nfs/dbraw/zinc/95/84/24/431958424.db2.gz IYBWXCLVPLNHPA-YMVOSSCXSA-N 1 0 309.494 3.311 10 0 DGAERO O=C(c1cccc2ccccc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127341581 431970042 /nfs/dbraw/zinc/97/00/42/431970042.db2.gz IXWMSRMEPFROQX-MRXNPFEDSA-N 1 0 308.425 3.398 10 0 DGAERO CC(C)COC1CC[NH+](CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000054323928 431970086 /nfs/dbraw/zinc/97/00/86/431970086.db2.gz PSCYMZHBWIOKFS-UHFFFAOYSA-N 1 0 324.509 3.161 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cc(Br)ccc1F ZINC000127376889 431970440 /nfs/dbraw/zinc/97/04/40/431970440.db2.gz DYXRNRSJZIYQLY-RVBZMBCESA-N 1 0 302.187 3.416 10 0 DGAERO Cc1ccc2[nH]c(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cc2c1C ZINC000247566495 281024062 /nfs/dbraw/zinc/02/40/62/281024062.db2.gz VUNQHZPLDMXILU-HIFRSBDPSA-N 1 0 311.429 3.093 10 0 DGAERO CCCCOc1cc(C[N@H+](C)C[C@@H]2CCCO2)ccc1OC ZINC000128043226 431986058 /nfs/dbraw/zinc/98/60/58/431986058.db2.gz VBOZPYKRAFMJOU-INIZCTEOSA-N 1 0 307.434 3.485 10 0 DGAERO C[N@@H+](Cc1ccccc1OCc1ccccn1)C[C@H]1CCCO1 ZINC000128041014 431986167 /nfs/dbraw/zinc/98/61/67/431986167.db2.gz BDTNRWLZNYGLRI-GOSISDBHSA-N 1 0 312.413 3.271 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)c(F)c(C)c1 ZINC000123268943 281190711 /nfs/dbraw/zinc/19/07/11/281190711.db2.gz MLDGMNCSXVIEJV-JKSUJKDBSA-N 1 0 304.409 3.141 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454214860 281200321 /nfs/dbraw/zinc/20/03/21/281200321.db2.gz FDYZGOJOCLYFPF-GOEBONIOSA-N 1 0 301.434 3.286 10 0 DGAERO Cc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174490956 281207660 /nfs/dbraw/zinc/20/76/60/281207660.db2.gz XDUMGXAWIUQIGA-MQVJKMGUSA-N 1 0 301.434 3.440 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1F ZINC000056347434 431988188 /nfs/dbraw/zinc/98/81/88/431988188.db2.gz ZSEQMTCAWAQWMG-OAHLLOKOSA-N 1 0 315.392 3.120 10 0 DGAERO CC1(C)C[N@H+](CCCOCC(F)(F)F)CC2(CCCC2)O1 ZINC000190953662 281236130 /nfs/dbraw/zinc/23/61/30/281236130.db2.gz OEWJCVLKEIIISU-UHFFFAOYSA-N 1 0 309.372 3.379 10 0 DGAERO CC[C@H](O)CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000128230418 431990716 /nfs/dbraw/zinc/99/07/16/431990716.db2.gz RHPQQDUDOSAVBM-JSGCOSHPSA-N 1 0 301.377 3.360 10 0 DGAERO CCCn1cc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)cn1 ZINC000128279027 431991638 /nfs/dbraw/zinc/99/16/38/431991638.db2.gz SOAAVHSLDMTYTH-IBGZPJMESA-N 1 0 312.461 3.394 10 0 DGAERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1C ZINC000248131993 432270288 /nfs/dbraw/zinc/27/02/88/432270288.db2.gz WPWKJCUUSAUBNK-OALUTQOASA-N 1 0 308.425 3.479 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccc(F)c1F ZINC000183220653 432271544 /nfs/dbraw/zinc/27/15/44/432271544.db2.gz WXZYEBQEQWWIAY-LBPRGKRZSA-N 1 0 314.339 3.396 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000183223537 432271576 /nfs/dbraw/zinc/27/15/76/432271576.db2.gz LMOBOYDLKTZEIZ-TVQRCGJNSA-N 1 0 317.216 3.089 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CCS2 ZINC000191517989 432272432 /nfs/dbraw/zinc/27/24/32/432272432.db2.gz BFEBOWUOCPDZPU-MAZHCROVSA-N 1 0 307.459 3.373 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4ccccc4c3)CC[C@H]21 ZINC000248173160 432273741 /nfs/dbraw/zinc/27/37/41/432273741.db2.gz VDNIRYAAORJIBV-RBUKOAKNSA-N 1 0 308.425 3.396 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C3CCCCC3)CC[C@H]21 ZINC000248177191 432274322 /nfs/dbraw/zinc/27/43/22/432274322.db2.gz VTPKZOICYWRZPT-BRSBDYLESA-N 1 0 304.478 3.146 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000151779548 432274560 /nfs/dbraw/zinc/27/45/60/432274560.db2.gz WUBRETSDRMZPPE-UHFFFAOYSA-N 1 0 317.408 3.029 10 0 DGAERO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H](C)c3ccccc3C)CCO2)n1 ZINC000248185677 432275035 /nfs/dbraw/zinc/27/50/35/432275035.db2.gz XHGNCKNXVVXNJP-QZTJIDSGSA-N 1 0 313.445 3.270 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(SC)cc1)CC2 ZINC000173397143 432275539 /nfs/dbraw/zinc/27/55/39/432275539.db2.gz CURIIPTZQPYGSX-TZMCWYRMSA-N 1 0 316.474 3.228 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(F)c1F ZINC000183271871 432276619 /nfs/dbraw/zinc/27/66/19/432276619.db2.gz KGKMSUISNSXIRV-QWHCGFSZSA-N 1 0 320.387 3.018 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C)[C@H]2C)cc1 ZINC000248339765 432280209 /nfs/dbraw/zinc/28/02/09/432280209.db2.gz IIKFNSFHDFUFNA-DAYGRLMNSA-N 1 0 316.445 3.089 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C)[C@@H]2C)cc1 ZINC000248339766 432280369 /nfs/dbraw/zinc/28/03/69/432280369.db2.gz IIKFNSFHDFUFNA-MPGHIAIKSA-N 1 0 316.445 3.089 10 0 DGAERO O=C(NCCCCC1CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173461696 432280387 /nfs/dbraw/zinc/28/03/87/432280387.db2.gz VHUAGWTXGNTSDF-QGZVFWFLSA-N 1 0 305.466 3.003 10 0 DGAERO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000183332715 432283264 /nfs/dbraw/zinc/28/32/64/432283264.db2.gz KBQFRUHYSYGFDI-ZBFHGGJFSA-N 1 0 301.409 3.370 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2csc(-c3ccccn3)n2)CC[N@@H+]1C ZINC000173526162 432283736 /nfs/dbraw/zinc/28/37/36/432283736.db2.gz GDYIMJRBGPEKAS-ZFWWWQNUSA-N 1 0 316.474 3.120 10 0 DGAERO COC[C@H](C)CNc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191665123 432289611 /nfs/dbraw/zinc/28/96/11/432289611.db2.gz YAJTXRRUCYDSPS-QGZVFWFLSA-N 1 0 319.493 3.220 10 0 DGAERO C[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)n2C)[C@H]2CCCC[C@@H]12 ZINC000248433036 432290006 /nfs/dbraw/zinc/29/00/06/432290006.db2.gz QNRLXMUQHWKHIE-PVAVHDDUSA-N 1 0 310.445 3.493 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248464054 432293414 /nfs/dbraw/zinc/29/34/14/432293414.db2.gz ZERRZJVDQKIYCA-YOEHRIQHSA-N 1 0 306.425 3.361 10 0 DGAERO CC(C)(CNC(=O)N1CCC([NH+]2CCCC2)CC1)C1CCCC1 ZINC000151992723 432294106 /nfs/dbraw/zinc/29/41/06/432294106.db2.gz RBHPWWAGTFIAPU-UHFFFAOYSA-N 1 0 321.509 3.473 10 0 DGAERO Clc1cc2ncc(N3CC[N@@H+]4CCC[C@H]4C3)nc2cc1Cl ZINC000248454995 432295079 /nfs/dbraw/zinc/29/50/79/432295079.db2.gz ZPKFWJLXBJSCNG-JTQLQIEISA-N 1 0 323.227 3.221 10 0 DGAERO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000183471660 432295989 /nfs/dbraw/zinc/29/59/89/432295989.db2.gz HSWJQGSDVLUQBC-MRXNPFEDSA-N 1 0 316.470 3.325 10 0 DGAERO CCOc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)ccc1OC(F)F ZINC000191756486 432299386 /nfs/dbraw/zinc/29/93/86/432299386.db2.gz TVHDZLBOUUONPW-WCQYABFASA-N 1 0 315.360 3.201 10 0 DGAERO Fc1ccc(CC[NH+]2CCC(Cn3cccn3)CC2)cc1F ZINC000152056395 432300139 /nfs/dbraw/zinc/30/01/39/432300139.db2.gz ZJSZUFRSXUGPAU-UHFFFAOYSA-N 1 0 305.372 3.116 10 0 DGAERO CN(C)C[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000102420339 431993736 /nfs/dbraw/zinc/99/37/36/431993736.db2.gz RTLHRWTVDJNVAG-IBGZPJMESA-N 1 0 308.425 3.355 10 0 DGAERO Cc1cnn(CCCCC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128472371 431994679 /nfs/dbraw/zinc/99/46/79/431994679.db2.gz XWJWZVNJHLGGOG-QZTJIDSGSA-N 1 0 315.465 3.332 10 0 DGAERO Cc1cnn(CCCCC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128472152 431995142 /nfs/dbraw/zinc/99/51/42/431995142.db2.gz XWJWZVNJHLGGOG-ROUUACIJSA-N 1 0 315.465 3.332 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000102688221 431997441 /nfs/dbraw/zinc/99/74/41/431997441.db2.gz HKZJRLJPRHCGJU-NSHDSACASA-N 1 0 322.330 3.071 10 0 DGAERO C[C@H]([NH2+]Cc1c(F)cccc1Br)[C@@H]1CCCO1 ZINC000183146700 432262772 /nfs/dbraw/zinc/26/27/72/432262772.db2.gz DJVWNWJXHSMPFU-ZANVPECISA-N 1 0 302.187 3.245 10 0 DGAERO CCN(Cc1nnc(C)o1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248042808 432263671 /nfs/dbraw/zinc/26/36/71/432263671.db2.gz UDQZIDVERVSCML-RHSMWYFYSA-N 1 0 314.433 3.035 10 0 DGAERO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1nccn1C ZINC000183156224 432263881 /nfs/dbraw/zinc/26/38/81/432263881.db2.gz QNEQGGIXMAYWRC-LBPRGKRZSA-N 1 0 314.364 3.108 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](c2ccccc2)OCC1(C)C ZINC000248052403 432264164 /nfs/dbraw/zinc/26/41/64/432264164.db2.gz NZPNIQMEYDJUOH-MSOLQXFVSA-N 1 0 302.462 3.323 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000248062490 432265849 /nfs/dbraw/zinc/26/58/49/432265849.db2.gz YRMNJRJKRZRSKY-QWQRMKEZSA-N 1 0 303.450 3.024 10 0 DGAERO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCCO1 ZINC000183196972 432266649 /nfs/dbraw/zinc/26/66/49/432266649.db2.gz PAIGHAZAZFVTRR-MEBBXXQBSA-N 1 0 308.328 3.277 10 0 DGAERO C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCCO1 ZINC000183196922 432266778 /nfs/dbraw/zinc/26/67/78/432266778.db2.gz PAIGHAZAZFVTRR-BONVTDFDSA-N 1 0 308.328 3.277 10 0 DGAERO Cc1ccc(C)c([C@H]2C[N@H+](CCCn3ccnc3)[C@H](C)CO2)c1 ZINC000183181995 432267931 /nfs/dbraw/zinc/26/79/31/432267931.db2.gz XOLUSWKWPIXWKQ-IEBWSBKVSA-N 1 0 313.445 3.352 10 0 DGAERO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248742840 432316914 /nfs/dbraw/zinc/31/69/14/432316914.db2.gz RJVSFRMYQRHIOF-IDXRPEPOSA-N 1 0 319.420 3.185 10 0 DGAERO O=C1O[C@@H](C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CC12CCC2 ZINC000248840522 432321423 /nfs/dbraw/zinc/32/14/23/432321423.db2.gz LJIJXQIHAAGFGH-IAGOWNOFSA-N 1 0 314.429 3.049 10 0 DGAERO C[NH2+]CC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000152296966 432322166 /nfs/dbraw/zinc/32/21/66/432322166.db2.gz VMGJXEGCPQQJQH-UHFFFAOYSA-N 1 0 316.376 3.157 10 0 DGAERO CC(C)C[C@H](NC(=O)C[NH2+][C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000248860851 432324388 /nfs/dbraw/zinc/32/43/88/432324388.db2.gz UHKVNDSNDHKFBB-BPQIPLTHSA-N 1 0 318.461 3.047 10 0 DGAERO CCC(=O)c1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000152354031 432327865 /nfs/dbraw/zinc/32/78/65/432327865.db2.gz JLXSMZCQQFHPJI-BBRMVZONSA-N 1 0 317.433 3.130 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2csc(CC)n2)C12CCOCC2 ZINC000248978880 432330772 /nfs/dbraw/zinc/33/07/72/432330772.db2.gz IHYQLIUIBOQDCQ-AEGPPILISA-N 1 0 324.490 3.330 10 0 DGAERO COc1cccc([C@H](C)[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183860161 432331299 /nfs/dbraw/zinc/33/12/99/432331299.db2.gz UIGVFOQVYLVNKY-INIZCTEOSA-N 1 0 311.429 3.364 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3ccccc32)C12CCOCC2 ZINC000248998307 432332335 /nfs/dbraw/zinc/33/23/35/432332335.db2.gz MMKAHFXXIUQAPL-NZSAHSFTSA-N 1 0 315.457 3.280 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCc2ccco2)C12CCOCC2 ZINC000249010196 432333363 /nfs/dbraw/zinc/33/33/63/432333363.db2.gz OLGNZGYITZQMLO-DJIMGWMZSA-N 1 0 307.434 3.165 10 0 DGAERO COCCC(C)(C)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000183930520 432334859 /nfs/dbraw/zinc/33/48/59/432334859.db2.gz BWCINTNFWPDBJR-CYBMUJFWSA-N 1 0 322.449 3.367 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2OC)C12CCOCC2 ZINC000249018100 432334968 /nfs/dbraw/zinc/33/49/68/432334968.db2.gz QAPIHYVTPCINEK-ZTFGCOKTSA-N 1 0 319.445 3.320 10 0 DGAERO CC[C@H]1CN(Cc2ccc(C(F)F)cc2)CC[N@@H+]1CCOC ZINC000183939343 432335988 /nfs/dbraw/zinc/33/59/88/432335988.db2.gz JSTHTZMLPVGCLM-INIZCTEOSA-N 1 0 312.404 3.167 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1nc(-c2ccccc2)cs1 ZINC000152483697 432336291 /nfs/dbraw/zinc/33/62/91/432336291.db2.gz UNIKZQDOLQWMJC-OCCSQVGLSA-N 1 0 315.442 3.082 10 0 DGAERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000249057610 432336348 /nfs/dbraw/zinc/33/63/48/432336348.db2.gz XXDRLPQULXQGNC-GPMSIDNRSA-N 1 0 301.478 3.460 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccncc1 ZINC000152533448 432339496 /nfs/dbraw/zinc/33/94/96/432339496.db2.gz YBIIYACWDMFPDJ-GJYPPUQNSA-N 1 0 310.445 3.038 10 0 DGAERO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000249156322 432341966 /nfs/dbraw/zinc/34/19/66/432341966.db2.gz WWWGFZAUEIABPB-XQQFMLRXSA-N 1 0 319.474 3.245 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000184103427 432355569 /nfs/dbraw/zinc/35/55/69/432355569.db2.gz QPXZGWAMMYRNMO-UHFFFAOYSA-N 1 0 323.440 3.342 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC000183981759 432342319 /nfs/dbraw/zinc/34/23/19/432342319.db2.gz LHCCBYQVJLMZBY-OAGGEKHMSA-N 1 0 311.372 3.393 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000249299814 432344387 /nfs/dbraw/zinc/34/43/87/432344387.db2.gz NSYJMBWALXHISP-XSLAGTTESA-N 1 0 306.494 3.392 10 0 DGAERO CC1(C[NH2+]Cc2cccc(OC3CCCC3)c2)OCCCO1 ZINC000192251703 432349398 /nfs/dbraw/zinc/34/93/98/432349398.db2.gz FRFQCEPSNINWOZ-UHFFFAOYSA-N 1 0 305.418 3.251 10 0 DGAERO CC1(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)OCCCO1 ZINC000192248204 432349419 /nfs/dbraw/zinc/34/94/19/432349419.db2.gz LENTWXCIQBJWPE-UHFFFAOYSA-N 1 0 323.339 3.468 10 0 DGAERO CC1(C[NH2+]Cc2ccccc2OC2CCCC2)OCCCO1 ZINC000192251710 432349633 /nfs/dbraw/zinc/34/96/33/432349633.db2.gz ZHNKVSCWTLKGRX-UHFFFAOYSA-N 1 0 305.418 3.251 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(N(CC)CC)s1 ZINC000184054588 432350462 /nfs/dbraw/zinc/35/04/62/432350462.db2.gz UPXRWCQLOUELEJ-HUUCEWRRSA-N 1 0 322.522 3.048 10 0 DGAERO CC1(C[NH2+]Cc2ccc(Cl)c3cccnc23)OCCCO1 ZINC000192252887 432350442 /nfs/dbraw/zinc/35/04/42/432350442.db2.gz GRCAKDHYYSYRKB-UHFFFAOYSA-N 1 0 306.793 3.131 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1ccsc1 ZINC000249554326 432351378 /nfs/dbraw/zinc/35/13/78/432351378.db2.gz JEUFGQLCEXWTHX-UONOGXRCSA-N 1 0 309.381 3.234 10 0 DGAERO CC1CC[NH+]([C@H](CNCc2cocn2)c2cccs2)CC1 ZINC000192280049 432354266 /nfs/dbraw/zinc/35/42/66/432354266.db2.gz MLPHPGOHIHKBMA-OAHLLOKOSA-N 1 0 305.447 3.299 10 0 DGAERO O=C(NCCC1=CCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000152110028 432304085 /nfs/dbraw/zinc/30/40/85/432304085.db2.gz KFCSABGVCKXGAK-KRWDZBQOSA-N 1 0 305.466 3.147 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000183578504 432304446 /nfs/dbraw/zinc/30/44/46/432304446.db2.gz KHRXBXKZWSODNF-LLVKDONJSA-N 1 0 319.396 3.140 10 0 DGAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](C)Cc1ccccc1)CC2 ZINC000248607560 432305615 /nfs/dbraw/zinc/30/56/15/432305615.db2.gz WTFBOURIKOHYQW-BHIYHBOVSA-N 1 0 317.473 3.117 10 0 DGAERO CCC[C@@H]1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCO1 ZINC000248608419 432305743 /nfs/dbraw/zinc/30/57/43/432305743.db2.gz VTGULLXXUYAKLH-ZJPYXAASSA-N 1 0 322.493 3.055 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](CCCSCC(C)C)C1 ZINC000152138871 432308123 /nfs/dbraw/zinc/30/81/23/432308123.db2.gz MWBZIWJPNALWBZ-HNNXBMFYSA-N 1 0 300.512 3.146 10 0 DGAERO COc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000248640255 432309477 /nfs/dbraw/zinc/30/94/77/432309477.db2.gz BQYSCXWIEQJNPL-OLZOCXBDSA-N 1 0 323.824 3.049 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)n1 ZINC000173946075 432309774 /nfs/dbraw/zinc/30/97/74/432309774.db2.gz BQJOKZCVLVTUJC-CQSZACIVSA-N 1 0 323.506 3.313 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc2c(c1)OCO2 ZINC000248708725 432312657 /nfs/dbraw/zinc/31/26/57/432312657.db2.gz IMGCTZNTRGVFCQ-AADNMHCOSA-N 1 0 301.386 3.024 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc2c(c1)OCO2 ZINC000248708729 432313231 /nfs/dbraw/zinc/31/32/31/432313231.db2.gz IMGCTZNTRGVFCQ-OUENDJJVSA-N 1 0 301.386 3.024 10 0 DGAERO CCc1ccccc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000192412086 432371970 /nfs/dbraw/zinc/37/19/70/432371970.db2.gz ASDOWDJBYXTXJO-GOSISDBHSA-N 1 0 310.441 3.152 10 0 DGAERO CCCNc1ccc(CNC(=O)NC[C@H](C)[NH+](CC)CC)cc1 ZINC000192437618 432373709 /nfs/dbraw/zinc/37/37/09/432373709.db2.gz BMBOSWQFRDSOLW-HNNXBMFYSA-N 1 0 320.481 3.038 10 0 DGAERO O=C(Nc1cccc(Br)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252367991 432375732 /nfs/dbraw/zinc/37/57/32/432375732.db2.gz GKWPAVOWAHSHFX-GDLCADMTSA-N 1 0 323.234 3.308 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(OC(F)F)c1 ZINC000252731309 432386406 /nfs/dbraw/zinc/38/64/06/432386406.db2.gz PGTZPWQRGRJQJD-MKXJDEKUSA-N 1 0 305.390 3.096 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1)[S@](C)=O ZINC000252729338 432386441 /nfs/dbraw/zinc/38/64/41/432386441.db2.gz GGKVOZFFMYOLSZ-NLQQUQSOSA-N 1 0 305.390 3.096 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(Br)c1 ZINC000252673500 432386834 /nfs/dbraw/zinc/38/68/34/432386834.db2.gz JXPYNDXZKYTPDF-WFASDCNBSA-N 1 0 309.251 3.118 10 0 DGAERO COC(=O)[C@H](c1ccccc1C)N1CCC[C@H](C(F)(F)F)C1 ZINC000184396296 432387902 /nfs/dbraw/zinc/38/79/02/432387902.db2.gz DUYIEYYFBJWODS-JSGCOSHPSA-N 1 0 315.335 3.483 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000184399261 432388278 /nfs/dbraw/zinc/38/82/78/432388278.db2.gz RZPSERHUKWKOEM-ZIAGYGMSSA-N 1 0 307.438 3.344 10 0 DGAERO CSCCC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000192580409 432388715 /nfs/dbraw/zinc/38/87/15/432388715.db2.gz CUZSDKNJBBGAEJ-NSHDSACASA-N 1 0 313.492 3.067 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000253353246 432390317 /nfs/dbraw/zinc/39/03/17/432390317.db2.gz SKIRZRUINVYWEQ-XYPHTWIQSA-N 1 0 304.409 3.095 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2C)[C@H](C)C1 ZINC000192596420 432391247 /nfs/dbraw/zinc/39/12/47/432391247.db2.gz QYZITJVMTSFOCS-WBMJQRKESA-N 1 0 308.853 3.451 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000184422379 432391391 /nfs/dbraw/zinc/39/13/91/432391391.db2.gz UMHOJICYLDAJLV-HUUCEWRRSA-N 1 0 307.401 3.383 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1oc2ccccc2c1C ZINC000175035204 432391593 /nfs/dbraw/zinc/39/15/93/432391593.db2.gz FPCHSMCSCZGWBK-LSDHHAIUSA-N 1 0 312.413 3.440 10 0 DGAERO Cc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)o1 ZINC000153269769 432395872 /nfs/dbraw/zinc/39/58/72/432395872.db2.gz PUVKKZDEZKQQPB-UHFFFAOYSA-N 1 0 312.413 3.291 10 0 DGAERO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000153289882 432397096 /nfs/dbraw/zinc/39/70/96/432397096.db2.gz VETMYIDYURYKCP-UHFFFAOYSA-N 1 0 324.424 3.095 10 0 DGAERO CCc1csc([C@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)n1 ZINC000184494529 432398463 /nfs/dbraw/zinc/39/84/63/432398463.db2.gz XUEIJMCNSNNPQV-STQMWFEESA-N 1 0 302.447 3.436 10 0 DGAERO O=C(NCc1ccccc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000153296880 432398719 /nfs/dbraw/zinc/39/87/19/432398719.db2.gz XNUZBTQHSDRVCT-UHFFFAOYSA-N 1 0 314.454 3.277 10 0 DGAERO C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccnn1C ZINC000192685651 432399321 /nfs/dbraw/zinc/39/93/21/432399321.db2.gz MTABKMREERFEJI-LLVKDONJSA-N 1 0 313.323 3.212 10 0 DGAERO Cn1cccc1[C@@H]1CCCCN1CC(=O)Nc1ccccc1F ZINC000175122526 432401228 /nfs/dbraw/zinc/40/12/28/432401228.db2.gz UJKVEYSLBMAEDB-KRWDZBQOSA-N 1 0 315.392 3.330 10 0 DGAERO CC[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000192729527 432406496 /nfs/dbraw/zinc/40/64/96/432406496.db2.gz RJLOGYXEWDUNFH-DYVFJYSZSA-N 1 0 318.442 3.136 10 0 DGAERO Cc1cc(F)ccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174556916 432356324 /nfs/dbraw/zinc/35/63/24/432356324.db2.gz ZFORCGZPIXCNOQ-GOOCMWNKSA-N 1 0 305.397 3.271 10 0 DGAERO COc1cc([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)ccc1F ZINC000152801130 432358190 /nfs/dbraw/zinc/35/81/90/432358190.db2.gz YALQGCHSCLZTNK-LLVKDONJSA-N 1 0 317.364 3.176 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000153413778 432406706 /nfs/dbraw/zinc/40/67/06/432406706.db2.gz KPGUKIAPOFUVTK-AEFFLSMTSA-N 1 0 316.489 3.399 10 0 DGAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1c(F)cccc1F ZINC000249862979 432359236 /nfs/dbraw/zinc/35/92/36/432359236.db2.gz GULYTFPPMWFGDG-RISCZKNCSA-N 1 0 324.396 3.334 10 0 DGAERO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cocn1 ZINC000192326618 432360410 /nfs/dbraw/zinc/36/04/10/432360410.db2.gz ACUPMWYEHFOYJD-SECBINFHSA-N 1 0 313.170 3.297 10 0 DGAERO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249878157 432360866 /nfs/dbraw/zinc/36/08/66/432360866.db2.gz MKEILWOUODYGQC-ZIAGYGMSSA-N 1 0 323.506 3.324 10 0 DGAERO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249909270 432361782 /nfs/dbraw/zinc/36/17/82/432361782.db2.gz VRYKVLZIIAIOOU-HUUCEWRRSA-N 1 0 323.506 3.326 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCSCC(C)C)C2)n1 ZINC000152849290 432361982 /nfs/dbraw/zinc/36/19/82/432361982.db2.gz UXNZBKQTCHCRFK-QGZVFWFLSA-N 1 0 324.538 3.386 10 0 DGAERO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000174764251 432368469 /nfs/dbraw/zinc/36/84/69/432368469.db2.gz KVITUCCWURPSKU-JKSUJKDBSA-N 1 0 302.443 3.365 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000152927148 432368543 /nfs/dbraw/zinc/36/85/43/432368543.db2.gz RKDBOZWRSBRPFE-AEFFLSMTSA-N 1 0 322.493 3.201 10 0 DGAERO Cc1cc(F)cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000152924387 432368680 /nfs/dbraw/zinc/36/86/80/432368680.db2.gz YUOQSHSIIMGDAE-MQVJKMGUSA-N 1 0 305.397 3.271 10 0 DGAERO CO[C@@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)CC[C@H]1C ZINC000251714667 432370610 /nfs/dbraw/zinc/37/06/10/432370610.db2.gz KRWXOBCAHVOHIP-GDBMZVCRSA-N 1 0 315.417 3.026 10 0 DGAERO CC[C@H]1CCCC[C@H]1OCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000184754231 432429126 /nfs/dbraw/zinc/42/91/26/432429126.db2.gz GPGBKMHXOHRMEL-FUHWJXTLSA-N 1 0 322.493 3.059 10 0 DGAERO CSCc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000184750587 432429378 /nfs/dbraw/zinc/42/93/78/432429378.db2.gz OCPYTPGZZCFFRB-HNNXBMFYSA-N 1 0 319.474 3.252 10 0 DGAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1 ZINC000153668927 432432395 /nfs/dbraw/zinc/43/23/95/432432395.db2.gz RETCTNCZQFEHAR-IBGZPJMESA-N 1 0 308.425 3.383 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261598851 432432630 /nfs/dbraw/zinc/43/26/30/432432630.db2.gz AYTRHNRCXLYFLS-JQHSSLGASA-N 1 0 300.446 3.264 10 0 DGAERO c1ccc(N2CCC[N@@H+](CC3=Cc4ccccc4OC3)CC2)nc1 ZINC000184808398 432434408 /nfs/dbraw/zinc/43/44/08/432434408.db2.gz AEBSTFQQYQXSGZ-UHFFFAOYSA-N 1 0 321.424 3.070 10 0 DGAERO CC(C)Cc1ncc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)s1 ZINC000261658972 432438633 /nfs/dbraw/zinc/43/86/33/432438633.db2.gz GABZKDHZDYCIOD-DLBZAZTESA-N 1 0 315.486 3.268 10 0 DGAERO Cc1ccc(CCC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261661029 432439593 /nfs/dbraw/zinc/43/95/93/432439593.db2.gz GVQYEIHOXPQEEK-UXHICEINSA-N 1 0 322.452 3.129 10 0 DGAERO c1cc(-c2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)cc2c1OCC2 ZINC000261677404 432440676 /nfs/dbraw/zinc/44/06/76/432440676.db2.gz ABFNFUBSOOBIOH-UGFHNGPFSA-N 1 0 311.385 3.265 10 0 DGAERO c1cc(-c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)cc2c1OCC2 ZINC000261677393 432440776 /nfs/dbraw/zinc/44/07/76/432440776.db2.gz ABFNFUBSOOBIOH-CQDKDKBSSA-N 1 0 311.385 3.265 10 0 DGAERO Fc1cccc(OCc2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)c1 ZINC000261677282 432441179 /nfs/dbraw/zinc/44/11/79/432441179.db2.gz AAIHCNZWWPWXGB-CQDKDKBSSA-N 1 0 317.364 3.381 10 0 DGAERO C[C@H]1CCCC[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193061585 432443912 /nfs/dbraw/zinc/44/39/12/432443912.db2.gz GDHORUXPVFUZAK-DOTOQJQBSA-N 1 0 307.482 3.083 10 0 DGAERO CCc1ccc(C(=O)CCc2nc(C3([NH3+])CCCC3)no2)cc1 ZINC000261714523 432444919 /nfs/dbraw/zinc/44/49/19/432444919.db2.gz JDFRNTUXNYJKTA-UHFFFAOYSA-N 1 0 313.401 3.176 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000261737707 432447170 /nfs/dbraw/zinc/44/71/70/432447170.db2.gz YYQSXDVQBXLELP-FBJPGRFESA-N 1 0 304.478 3.225 10 0 DGAERO Clc1ccsc1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000193085767 432447616 /nfs/dbraw/zinc/44/76/16/432447616.db2.gz LQYYLNUCQOAQCE-UHFFFAOYSA-N 1 0 304.806 3.272 10 0 DGAERO COc1ccc2nc(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)sc2c1 ZINC000261766551 432447948 /nfs/dbraw/zinc/44/79/48/432447948.db2.gz DITATCQDAQQAIJ-FUNVUKJBSA-N 1 0 317.458 3.020 10 0 DGAERO CCOC(C[N@@H+]1CCC[C@@H]1Cc1ccccc1OC)OCC ZINC000184957155 432449719 /nfs/dbraw/zinc/44/97/19/432449719.db2.gz IEAWQTJUJVOSAQ-MRXNPFEDSA-N 1 0 307.434 3.101 10 0 DGAERO CC(C)CCO[C@H]1CCN(Cc2noc(-c3ccsc3)n2)C1 ZINC000175595599 432450727 /nfs/dbraw/zinc/45/07/27/432450727.db2.gz SYBIOZATAHCRKD-AWEZNQCLSA-N 1 0 321.446 3.435 10 0 DGAERO CCOC(C[N@@H+]1C[C@H](c2ccc(OC)cc2)C[C@@H]1C)OCC ZINC000184973040 432450787 /nfs/dbraw/zinc/45/07/87/432450787.db2.gz XUOLLJHUZDCCHR-GOEBONIOSA-N 1 0 307.434 3.272 10 0 DGAERO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000193121639 432451607 /nfs/dbraw/zinc/45/16/07/432451607.db2.gz DUWYDZCAOUDDLL-PKOBYXMFSA-N 1 0 318.461 3.130 10 0 DGAERO COc1cccc([C@@H](C)[NH+]2CCC(Cc3nccn3C)CC2)c1 ZINC000175650763 432455165 /nfs/dbraw/zinc/45/51/65/432455165.db2.gz DVPWSJDVZRODED-OAHLLOKOSA-N 1 0 313.445 3.444 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)on2)cn1 ZINC000185005211 432455143 /nfs/dbraw/zinc/45/51/43/432455143.db2.gz SHQPANGEOCBIOV-SFHVURJKSA-N 1 0 312.417 3.397 10 0 DGAERO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185014037 432456041 /nfs/dbraw/zinc/45/60/41/432456041.db2.gz RXMQHGWVUHBEMK-ZFWWWQNUSA-N 1 0 320.462 3.181 10 0 DGAERO CN1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193164734 432456283 /nfs/dbraw/zinc/45/62/83/432456283.db2.gz KFSJZENUYMUGTJ-DZGCQCFKSA-N 1 0 309.251 3.120 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000193218995 432457152 /nfs/dbraw/zinc/45/71/52/432457152.db2.gz SCQSHUUBTBTUAW-HUUCEWRRSA-N 1 0 316.470 3.455 10 0 DGAERO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185021187 432457520 /nfs/dbraw/zinc/45/75/20/432457520.db2.gz ZHTOYOVTQKXWNM-KDOFPFPSSA-N 1 0 322.412 3.453 10 0 DGAERO CCSCC[C@@H](C)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185037299 432458429 /nfs/dbraw/zinc/45/84/29/432458429.db2.gz MZEPBPADRKOJQY-GFCCVEGCSA-N 1 0 308.451 3.039 10 0 DGAERO C[C@@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261898197 432458446 /nfs/dbraw/zinc/45/84/46/432458446.db2.gz GIUOEWKZDLNJHE-QIXHYMPYSA-N 1 0 304.409 3.061 10 0 DGAERO CCOCC[N@@H+]1CCN([C@@H](C)c2ncc(C(C)(C)C)o2)C[C@@H]1C ZINC000175190179 432409607 /nfs/dbraw/zinc/40/96/07/432409607.db2.gz MMDSOMBZGFFSBE-GJZGRUSLSA-N 1 0 323.481 3.076 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2csc(Br)c2)[C@H]2CCO[C@@H]21 ZINC000153954407 432458587 /nfs/dbraw/zinc/45/85/87/432458587.db2.gz ZNCVQZDQWKBBAO-JLLWLGSASA-N 1 0 316.264 3.414 10 0 DGAERO CO[C@H](C)c1nc(CN2CCC[C@@H](n3cc(C)cn3)C2)cs1 ZINC000175203997 432410747 /nfs/dbraw/zinc/41/07/47/432410747.db2.gz FKJPYXGNZCGXLA-UKRRQHHQSA-N 1 0 320.462 3.193 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@@H+]([C@H](C)c3cnccn3)C2)c1 ZINC000184609748 432412830 /nfs/dbraw/zinc/41/28/30/432412830.db2.gz JXQKVFSCKNSTAI-KGLIPLIRSA-N 1 0 313.401 3.044 10 0 DGAERO CC(C)Sc1ccc([C@H](C)NCc2nc(N(C)C)no2)cc1 ZINC000192782074 432413345 /nfs/dbraw/zinc/41/33/45/432413345.db2.gz SKIGYISHKDZXBQ-LBPRGKRZSA-N 1 0 320.462 3.487 10 0 DGAERO COc1ccc2[nH]c3c(c2c1)CCNC31CC[NH+](C(C)C)CC1 ZINC000257179602 432416310 /nfs/dbraw/zinc/41/63/10/432416310.db2.gz CUPOFKIAEUJFFY-UHFFFAOYSA-N 1 0 313.445 3.022 10 0 DGAERO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cn[nH]c1 ZINC000271532743 432416483 /nfs/dbraw/zinc/41/64/83/432416483.db2.gz PSUSFPOGVZKLOI-FMJMRLDVSA-N 1 0 310.445 3.256 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)C1CCCC1 ZINC000184663741 432417475 /nfs/dbraw/zinc/41/74/75/432417475.db2.gz IBLAMYVCZQIYQM-HIFRSBDPSA-N 1 0 302.418 3.076 10 0 DGAERO COc1cccc([C@H](CNC(=O)[C@@H](C)CC(C)C)[NH+](C)C)c1 ZINC000184655516 432417948 /nfs/dbraw/zinc/41/79/48/432417948.db2.gz KDFCLLHXQQVYOZ-YOEHRIQHSA-N 1 0 306.450 3.096 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1cc2ccccc2o1 ZINC000175274558 432418851 /nfs/dbraw/zinc/41/88/51/432418851.db2.gz IOMAHJMGPYKJFM-CQSZACIVSA-N 1 0 317.433 3.305 10 0 DGAERO C[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H]1c1cccc(F)c1 ZINC000175306156 432421824 /nfs/dbraw/zinc/42/18/24/432421824.db2.gz CYGKAHSGDXUWNU-COXVUDFISA-N 1 0 309.425 3.385 10 0 DGAERO CN(C(=O)Cc1csc2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262073671 432473492 /nfs/dbraw/zinc/47/34/92/432473492.db2.gz XCSBATXCFVNYNF-YIONKMFJSA-N 1 0 314.454 3.185 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(c2ccccc2)CC1 ZINC000193445346 432474020 /nfs/dbraw/zinc/47/40/20/432474020.db2.gz DPICQBPDXBFBAF-INIZCTEOSA-N 1 0 317.477 3.306 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000262118966 432475534 /nfs/dbraw/zinc/47/55/34/432475534.db2.gz LQSUDLWMCSWGHA-WPRPVWTQSA-N 1 0 307.385 3.030 10 0 DGAERO CCC[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)[NH+](C)C ZINC000154666062 432512301 /nfs/dbraw/zinc/51/23/01/432512301.db2.gz OOKGKJDQSFKYDH-NSHDSACASA-N 1 0 305.205 3.368 10 0 DGAERO CCC1(CC)CN(CCc2ccc(F)c(F)c2)CC[S@]1=O ZINC000185224583 432480154 /nfs/dbraw/zinc/48/01/54/432480154.db2.gz XUMZYCIZTKMDCO-OAQYLSRUSA-N 1 0 315.429 3.130 10 0 DGAERO CCc1ccc(C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262325634 432480873 /nfs/dbraw/zinc/48/08/73/432480873.db2.gz DJTBTGDXGCHDGB-HOCLYGCPSA-N 1 0 302.462 3.031 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1)[NH+](C)C ZINC000154197409 432481791 /nfs/dbraw/zinc/48/17/91/432481791.db2.gz FHTIITPZRIFXCB-HNNXBMFYSA-N 1 0 316.405 3.179 10 0 DGAERO COc1cc(-c2noc([C@H]3CC[C@H]([NH3+])C3)n2)cc(Cl)c1OC ZINC000262353454 432482440 /nfs/dbraw/zinc/48/24/40/432482440.db2.gz VKXGQFSEMOBISY-WPRPVWTQSA-N 1 0 323.780 3.002 10 0 DGAERO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000175980438 432484338 /nfs/dbraw/zinc/48/43/38/432484338.db2.gz LBGBVUCZODJZJP-HZPDHXFCSA-N 1 0 317.477 3.228 10 0 DGAERO CCc1onc(C)c1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000193632965 432485903 /nfs/dbraw/zinc/48/59/03/432485903.db2.gz FGRYXUPJEXHPSL-UHFFFAOYSA-N 1 0 313.401 3.394 10 0 DGAERO CC(C)[C@@H]1CCCC[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262491922 432487500 /nfs/dbraw/zinc/48/75/00/432487500.db2.gz HSBXOBHYCATSKE-SEIQEZOWSA-N 1 0 306.494 3.471 10 0 DGAERO Cc1nc2n(n1)C[C@@H](Nc1c(C)c[nH+]c3c(C)cccc13)CC2 ZINC000185293508 432487669 /nfs/dbraw/zinc/48/76/69/432487669.db2.gz ROLVFYGIPGPTNH-AWEZNQCLSA-N 1 0 307.401 3.178 10 0 DGAERO CCc1nc2cc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)ccc2o1 ZINC000262495013 432488029 /nfs/dbraw/zinc/48/80/29/432488029.db2.gz LGKODCDPVDKRAS-OAHLLOKOSA-N 1 0 301.390 3.107 10 0 DGAERO Fc1c(Cl)cccc1C1(CNC2=[NH+]CCCN2)CCCC1 ZINC000262486747 432488173 /nfs/dbraw/zinc/48/81/73/432488173.db2.gz YSFUFERWPAKVEB-UHFFFAOYSA-N 1 0 309.816 3.230 10 0 DGAERO CCn1c2cccc(F)c2nc1C[N@H+](C)[C@H](CO)CC(C)C ZINC000185326674 432491788 /nfs/dbraw/zinc/49/17/88/432491788.db2.gz ZFVLVLBMACSVGG-ZDUSSCGKSA-N 1 0 307.413 3.034 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000185344901 432492869 /nfs/dbraw/zinc/49/28/69/432492869.db2.gz OJZVLRTZJJQTTD-KRWDZBQOSA-N 1 0 306.450 3.087 10 0 DGAERO CCc1oc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1C ZINC000154395385 432495704 /nfs/dbraw/zinc/49/57/04/432495704.db2.gz HBUCKQMBGCXVCN-OAHLLOKOSA-N 1 0 312.413 3.284 10 0 DGAERO Cc1cccc2c(NC[C@H]3CC(=O)N(C4CC4)C3)c(C)c[nH+]c12 ZINC000185370728 432496549 /nfs/dbraw/zinc/49/65/49/432496549.db2.gz LWPRUWOACILSCY-CQSZACIVSA-N 1 0 309.413 3.274 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000262770587 432500663 /nfs/dbraw/zinc/50/06/63/432500663.db2.gz HPTIAYDUTHTZAD-WOSRLPQWSA-N 1 0 316.449 3.168 10 0 DGAERO Cc1oc2ccccc2c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000185483233 432503307 /nfs/dbraw/zinc/50/33/07/432503307.db2.gz RUNLPCWSNMYUAB-UHFFFAOYSA-N 1 0 300.402 3.345 10 0 DGAERO CC(C)c1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c2ccccc2n1 ZINC000262911967 432506629 /nfs/dbraw/zinc/50/66/29/432506629.db2.gz YPSGXDGCAQIZPK-BBRMVZONSA-N 1 0 311.429 3.086 10 0 DGAERO O[C@]1(C(F)(F)F)CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185517090 432506878 /nfs/dbraw/zinc/50/68/78/432506878.db2.gz UZXHPLAPWGTMFH-VQXHTEKXSA-N 1 0 319.289 3.354 10 0 DGAERO CC[C@H](c1ccc(F)cc1F)N1CCN(c2cccnn2)CC1 ZINC000154571422 432507076 /nfs/dbraw/zinc/50/70/76/432507076.db2.gz MJQLYJOINGSJAR-MRXNPFEDSA-N 1 0 318.371 3.028 10 0 DGAERO COCCN1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C[C@H]1C ZINC000185510774 432507841 /nfs/dbraw/zinc/50/78/41/432507841.db2.gz DOJAMOIOBFGYAF-WLYUNCDWSA-N 1 0 322.415 3.008 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000262920907 432509135 /nfs/dbraw/zinc/50/91/35/432509135.db2.gz ZIZHTUOOECMZQW-GXTWGEPZSA-N 1 0 306.475 3.135 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2ncsc2c1 ZINC000176295929 432509323 /nfs/dbraw/zinc/50/93/23/432509323.db2.gz GZGFSKFVNYNQGT-CYBMUJFWSA-N 1 0 318.446 3.244 10 0 DGAERO C[NH+]1CCC(CCNC(=O)C/C=C/c2cccc(F)c2)CC1 ZINC000176329910 432511344 /nfs/dbraw/zinc/51/13/44/432511344.db2.gz PPCHYQXRZIACKL-HWKANZROSA-N 1 0 304.409 3.077 10 0 DGAERO Cn1cc(-c2cc(C[NH2+]C(C)(C)c3cccc(F)c3)on2)cn1 ZINC000185053976 432460063 /nfs/dbraw/zinc/46/00/63/432460063.db2.gz UQLMDSCSGRIOKG-UHFFFAOYSA-N 1 0 314.364 3.239 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@H]2CCCC[C@H]12 ZINC000185059384 432462173 /nfs/dbraw/zinc/46/21/73/432462173.db2.gz DWGKUNQNAIMXKK-VMGRFDJRSA-N 1 0 300.406 3.086 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000185067296 432462391 /nfs/dbraw/zinc/46/23/91/432462391.db2.gz VGMYAZIFNGPWCE-CVEARBPZSA-N 1 0 306.425 3.008 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000185067275 432462425 /nfs/dbraw/zinc/46/24/25/432462425.db2.gz VGMYAZIFNGPWCE-HOTGVXAUSA-N 1 0 306.425 3.008 10 0 DGAERO CC(C)c1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261959543 432462966 /nfs/dbraw/zinc/46/29/66/432462966.db2.gz XLNCRWHKVOTTAF-TXPKVOOTSA-N 1 0 316.445 3.281 10 0 DGAERO CCC1CCC([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)CC1 ZINC000185079315 432463433 /nfs/dbraw/zinc/46/34/33/432463433.db2.gz IVYYULIIQDSPAY-UHFFFAOYSA-N 1 0 321.440 3.116 10 0 DGAERO C[NH2+]C1CCN(Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000261943972 432463419 /nfs/dbraw/zinc/46/34/19/432463419.db2.gz NDHOAOOWMOVRNS-UHFFFAOYSA-N 1 0 310.445 3.033 10 0 DGAERO CC1(C)CCC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000185072099 432463809 /nfs/dbraw/zinc/46/38/09/432463809.db2.gz OHIMOPZRSVKMRO-OAHLLOKOSA-N 1 0 321.440 3.116 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)c1ccnn1C ZINC000193313987 432465062 /nfs/dbraw/zinc/46/50/62/432465062.db2.gz GUDKRZNNGWMSPI-APWZRJJASA-N 1 0 312.461 3.125 10 0 DGAERO CC[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000193335259 432466114 /nfs/dbraw/zinc/46/61/14/432466114.db2.gz FHEZYWGOINAGJS-UXHICEINSA-N 1 0 324.468 3.469 10 0 DGAERO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000261970423 432466061 /nfs/dbraw/zinc/46/60/61/432466061.db2.gz QAPNQLVQTBUBLJ-NSHDSACASA-N 1 0 315.339 3.169 10 0 DGAERO Cc1ccc(OCCc2nc(-c3ccc(C[NH3+])cc3)no2)c(C)c1 ZINC000261969990 432466187 /nfs/dbraw/zinc/46/61/87/432466187.db2.gz IDKOWSHBWSZJTR-UHFFFAOYSA-N 1 0 323.396 3.434 10 0 DGAERO CCOc1ccccc1CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000175793801 432467210 /nfs/dbraw/zinc/46/72/10/432467210.db2.gz MRNMJPIDUWLZIL-HNNXBMFYSA-N 1 0 320.477 3.110 10 0 DGAERO CC(C)c1nc(C2(NCC[NH+]3CCC(C)CC3)CCCC2)no1 ZINC000154061692 432468525 /nfs/dbraw/zinc/46/85/25/432468525.db2.gz HEXPKZDALDHTQN-UHFFFAOYSA-N 1 0 320.481 3.284 10 0 DGAERO c1ccc2c(c1)cccc2CCC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185137756 432470801 /nfs/dbraw/zinc/47/08/01/432470801.db2.gz VMFHYEOCHFTIJX-FQEVSTJZSA-N 1 0 311.425 3.264 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000155308386 432549429 /nfs/dbraw/zinc/54/94/29/432549429.db2.gz ALRDGRKYDRCCDL-ZFWWWQNUSA-N 1 0 316.474 3.120 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000186037516 432554700 /nfs/dbraw/zinc/55/47/00/432554700.db2.gz QNKDFXMAAUWUAP-HKUYNNGSSA-N 1 0 305.462 3.260 10 0 DGAERO CCN(Cc1cccs1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000176839547 432557647 /nfs/dbraw/zinc/55/76/47/432557647.db2.gz IMWHYJBXBZPEIO-DZGCQCFKSA-N 1 0 309.479 3.008 10 0 DGAERO Cc1cccc([C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C(C)(C)C)c1 ZINC000176856378 432558946 /nfs/dbraw/zinc/55/89/46/432558946.db2.gz DDIOFEQIYDTOMD-IAGOWNOFSA-N 1 0 317.477 3.428 10 0 DGAERO CCc1ccc(CCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155563203 432560455 /nfs/dbraw/zinc/56/04/55/432560455.db2.gz MQFUUJQHLMKWSM-YJBOKZPZSA-N 1 0 302.462 3.027 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000155595414 432562395 /nfs/dbraw/zinc/56/23/95/432562395.db2.gz BPMPTDYSZUGWMG-RISCZKNCSA-N 1 0 314.351 3.164 10 0 DGAERO CSCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000194608309 432563148 /nfs/dbraw/zinc/56/31/48/432563148.db2.gz FYXISZDRRIGQEP-KRWDZBQOSA-N 1 0 320.502 3.329 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2scnc2c1 ZINC000176335487 432513838 /nfs/dbraw/zinc/51/38/38/432513838.db2.gz RZKJZMYJIJOZII-CYBMUJFWSA-N 1 0 318.446 3.244 10 0 DGAERO C[C@@H]1COCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000194003614 432515655 /nfs/dbraw/zinc/51/56/55/432515655.db2.gz QPBBXUDDCOQDIY-QAPCUYQASA-N 1 0 316.445 3.284 10 0 DGAERO C[C@@H](NC(=O)N(C)C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272518551 432516614 /nfs/dbraw/zinc/51/66/14/432516614.db2.gz NNHJFIDJTSDUTI-NVXWUHKLSA-N 1 0 315.461 3.091 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]CCCOC(F)F)C(C)C ZINC000194024841 432516902 /nfs/dbraw/zinc/51/69/02/432516902.db2.gz UXSSJNBFQBBAFJ-AWEZNQCLSA-N 1 0 301.377 3.481 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1c(F)cc(F)cc1F ZINC000176381495 432517486 /nfs/dbraw/zinc/51/74/86/432517486.db2.gz LRKZZHRBULVFAG-NSHDSACASA-N 1 0 315.339 3.052 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000194630644 432564224 /nfs/dbraw/zinc/56/42/24/432564224.db2.gz RZBWDAXJXCKAGB-LBPRGKRZSA-N 1 0 315.244 3.136 10 0 DGAERO CC(C)N(CC1CCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000194103371 432525068 /nfs/dbraw/zinc/52/50/68/432525068.db2.gz NSDGANCLYFEIER-UHFFFAOYSA-N 1 0 309.498 3.327 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(F)cc2F)[C@H](C)C1 ZINC000176467069 432526000 /nfs/dbraw/zinc/52/60/00/432526000.db2.gz OSUWPCUUJUWANZ-WBMJQRKESA-N 1 0 310.388 3.076 10 0 DGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[C@@H](C)c1ccccc1 ZINC000176474266 432526993 /nfs/dbraw/zinc/52/69/93/432526993.db2.gz HRKVNIAZKVFQOC-SOLBZPMBSA-N 1 0 315.461 3.058 10 0 DGAERO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000185817629 432534759 /nfs/dbraw/zinc/53/47/59/432534759.db2.gz MPRJUYZPDZOYGX-VUDBWIFFSA-N 1 0 302.187 3.005 10 0 DGAERO CCSCc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000155091357 432539135 /nfs/dbraw/zinc/53/91/35/432539135.db2.gz RATZXOUTYKTFQS-KBPBESRZSA-N 1 0 306.475 3.104 10 0 DGAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000155288281 432547765 /nfs/dbraw/zinc/54/77/65/432547765.db2.gz NIHQJCZDIMWHOD-WCQYABFASA-N 1 0 317.260 3.317 10 0 DGAERO c1csc([C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)c2ncc[nH]2)c1 ZINC000195118537 432605147 /nfs/dbraw/zinc/60/51/47/432605147.db2.gz RFCPWLYMZHXYJP-IPYPFGDCSA-N 1 0 303.431 3.108 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000177274855 432605421 /nfs/dbraw/zinc/60/54/21/432605421.db2.gz DMVVXFNZZKZIOF-ZFWWWQNUSA-N 1 0 314.433 3.076 10 0 DGAERO Cc1c2cccc(C)c2oc1C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186534351 432605761 /nfs/dbraw/zinc/60/57/61/432605761.db2.gz XIBICRTZRCTLCX-AWEZNQCLSA-N 1 0 312.413 3.406 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1 ZINC000156741935 432606272 /nfs/dbraw/zinc/60/62/72/432606272.db2.gz ASCFIXLMGKUETI-GJZGRUSLSA-N 1 0 321.440 3.178 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000186568944 432609443 /nfs/dbraw/zinc/60/94/43/432609443.db2.gz VRBPMIDMFUFZGA-SWLSCSKDSA-N 1 0 324.494 3.028 10 0 DGAERO CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194647933 432565586 /nfs/dbraw/zinc/56/55/86/432565586.db2.gz GUQNRGBEVDODCN-HZPDHXFCSA-N 1 0 318.461 3.179 10 0 DGAERO C[C@H](C[N@@H+]1CCCCC[C@@H]1c1ccccc1)CS(C)(=O)=O ZINC000176966139 432570647 /nfs/dbraw/zinc/57/06/47/432570647.db2.gz HXEMVLNUHBPFEV-NVXWUHKLSA-N 1 0 309.475 3.284 10 0 DGAERO CCSCc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000176976211 432571973 /nfs/dbraw/zinc/57/19/73/432571973.db2.gz YNNXFIIQQAPHLE-QGZVFWFLSA-N 1 0 320.502 3.496 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000186248030 432573300 /nfs/dbraw/zinc/57/33/00/432573300.db2.gz CDODVABRSBANIP-RYUDHWBXSA-N 1 0 320.462 3.137 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3occc32)C12CCOCC2 ZINC000186239821 432573487 /nfs/dbraw/zinc/57/34/87/432573487.db2.gz FAJAOZDDYVESPT-DJIMGWMZSA-N 1 0 305.418 3.221 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(-n2cccc2)c1 ZINC000177008886 432573686 /nfs/dbraw/zinc/57/36/86/432573686.db2.gz KATABDKRJULMIV-GOSISDBHSA-N 1 0 311.429 3.034 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000177004224 432573712 /nfs/dbraw/zinc/57/37/12/432573712.db2.gz IPCKPHNCVKKQHR-AWEZNQCLSA-N 1 0 317.408 3.172 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1csc2ccccc12 ZINC000177018649 432576220 /nfs/dbraw/zinc/57/62/20/432576220.db2.gz QUHGITVJNWHBOU-CYBMUJFWSA-N 1 0 302.443 3.458 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](SC)c1ccccc1 ZINC000177024302 432576602 /nfs/dbraw/zinc/57/66/02/432576602.db2.gz ZGCXOPSBZJQSHT-HZPDHXFCSA-N 1 0 306.475 3.033 10 0 DGAERO CCOc1ccc(C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)cc1 ZINC000186276737 432576750 /nfs/dbraw/zinc/57/67/50/432576750.db2.gz PTMZTSPKMHLSGF-ZWKOTPCHSA-N 1 0 319.445 3.149 10 0 DGAERO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)c1 ZINC000155846346 432577269 /nfs/dbraw/zinc/57/72/69/432577269.db2.gz WXYCZLINKYBNNU-CYBMUJFWSA-N 1 0 300.377 3.345 10 0 DGAERO CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000177057966 432579914 /nfs/dbraw/zinc/57/99/14/432579914.db2.gz CLFYHLDLMGRYPE-NVXWUHKLSA-N 1 0 320.477 3.399 10 0 DGAERO CCC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1cccnc1 ZINC000186293103 432580066 /nfs/dbraw/zinc/58/00/66/432580066.db2.gz DLHIMTPOFIBUEV-HOTGVXAUSA-N 1 0 313.449 3.242 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCCNc2ccccc2)C12CCOCC2 ZINC000186345896 432584738 /nfs/dbraw/zinc/58/47/38/432584738.db2.gz BDVOQCKTSKGQHV-QZTJIDSGSA-N 1 0 318.461 3.052 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1Cl ZINC000177089550 432584971 /nfs/dbraw/zinc/58/49/71/432584971.db2.gz CMMXHUAWTRXPDF-CMPLNLGQSA-N 1 0 311.788 3.180 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1F ZINC000177092152 432585389 /nfs/dbraw/zinc/58/53/89/432585389.db2.gz LFUKXEVZXIWFRB-CMPLNLGQSA-N 1 0 311.788 3.180 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Cl)c1F ZINC000177103601 432586399 /nfs/dbraw/zinc/58/63/99/432586399.db2.gz JTGGUDNYRHNYKQ-WDEREUQCSA-N 1 0 311.788 3.180 10 0 DGAERO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccccc1-n1cccn1 ZINC000177194622 432596027 /nfs/dbraw/zinc/59/60/27/432596027.db2.gz DUZARIDIDZOLBZ-LBPRGKRZSA-N 1 0 313.323 3.102 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1C ZINC000195063659 432598872 /nfs/dbraw/zinc/59/88/72/432598872.db2.gz ONRUHQJWOHWRTA-HNNXBMFYSA-N 1 0 311.429 3.095 10 0 DGAERO O=C(c1cc(Cl)sc1Cl)N1CCN2CCCC[C@H]2C1 ZINC000195077857 432599981 /nfs/dbraw/zinc/59/99/81/432599981.db2.gz VIQLEOQQGHJRQT-VIFPVBQESA-N 1 0 319.257 3.365 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(F)c1 ZINC000156535440 432600914 /nfs/dbraw/zinc/60/09/14/432600914.db2.gz ZVMJFBKFPGRCLS-CHWSQXEVSA-N 1 0 310.800 3.178 10 0 DGAERO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c1 ZINC000177240701 432601913 /nfs/dbraw/zinc/60/19/13/432601913.db2.gz NBQFYXJHTWYSDL-DYVFJYSZSA-N 1 0 301.386 3.088 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCCCCCSC)C12CCOCC2 ZINC000186501454 432602094 /nfs/dbraw/zinc/60/20/94/432602094.db2.gz LCPLQGCKLMKCOB-CVEARBPZSA-N 1 0 315.523 3.474 10 0 DGAERO CC(C)(C)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195091483 432602960 /nfs/dbraw/zinc/60/29/60/432602960.db2.gz JZYGWCYDPUOSMD-QGZVFWFLSA-N 1 0 300.446 3.294 10 0 DGAERO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)oc2c1c(C)ccc2C ZINC000186664814 432618982 /nfs/dbraw/zinc/61/89/82/432618982.db2.gz NINNHDHXKMDUTD-HZMBPMFUSA-N 1 0 300.402 3.086 10 0 DGAERO O=C(c1ccccc1Cc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195316189 432619277 /nfs/dbraw/zinc/61/92/77/432619277.db2.gz UESXWQXMIBJSDB-IBGZPJMESA-N 1 0 320.436 3.198 10 0 DGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccsc1 ZINC000157421481 432620807 /nfs/dbraw/zinc/62/08/07/432620807.db2.gz VJJNOLUVMFUZOO-OAHLLOKOSA-N 1 0 303.431 3.043 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000186685043 432623102 /nfs/dbraw/zinc/62/31/02/432623102.db2.gz GFUJSIUMBNUNBX-XJKSGUPXSA-N 1 0 320.864 3.266 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000177450985 432625432 /nfs/dbraw/zinc/62/54/32/432625432.db2.gz HEKMAKZHLNXKCA-QZTJIDSGSA-N 1 0 302.462 3.307 10 0 DGAERO C[N@H+](Cc1cccc(OCc2ccccc2)c1)CC1(CO)CC1 ZINC000186820387 432631355 /nfs/dbraw/zinc/63/13/55/432631355.db2.gz GLZYKRYVKPTIKO-UHFFFAOYSA-N 1 0 311.425 3.470 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(OC)c2)[C@H](C)C1 ZINC000187136800 432648101 /nfs/dbraw/zinc/64/81/01/432648101.db2.gz IMWVNMUFNMJXLA-DOMZBBRYSA-N 1 0 323.412 3.028 10 0 DGAERO CCc1oc2ccccc2c1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000158030108 432636556 /nfs/dbraw/zinc/63/65/56/432636556.db2.gz FZCXVDSSQCCNTE-CQSZACIVSA-N 1 0 301.308 3.350 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000187041667 432642709 /nfs/dbraw/zinc/64/27/09/432642709.db2.gz JVCJYISYXTTYFY-IUODEOHRSA-N 1 0 324.494 3.028 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)COCc1cccc(OC)c1 ZINC000157322366 432618324 /nfs/dbraw/zinc/61/83/24/432618324.db2.gz CVWDHVMCPOXARC-MSOLQXFVSA-N 1 0 321.461 3.227 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000177704284 432652181 /nfs/dbraw/zinc/65/21/81/432652181.db2.gz AHUFXEXVVDVSCH-DLBZAZTESA-N 1 0 317.477 3.047 10 0 DGAERO CC[C@@H]1CN(C[C@@H](C)c2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC000187211789 432652418 /nfs/dbraw/zinc/65/24/18/432652418.db2.gz OMSKJZOTKIMPIM-CRAIPNDOSA-N 1 0 324.896 3.486 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCS2 ZINC000187228658 432652880 /nfs/dbraw/zinc/65/28/80/432652880.db2.gz XBNCSGOYDMELIN-HIFRSBDPSA-N 1 0 304.459 3.051 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCS2 ZINC000187228678 432653054 /nfs/dbraw/zinc/65/30/54/432653054.db2.gz XBNCSGOYDMELIN-UKRRQHHQSA-N 1 0 304.459 3.051 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(F)cc2cccnc21 ZINC000177700610 432653289 /nfs/dbraw/zinc/65/32/89/432653289.db2.gz GFUQVDRKIASTOM-QGZVFWFLSA-N 1 0 301.409 3.290 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000177746815 432657085 /nfs/dbraw/zinc/65/70/85/432657085.db2.gz HQRRIKKNFJYOLS-CQSZACIVSA-N 1 0 323.444 3.116 10 0 DGAERO CCCC[N@H+](C[C@@H](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000158740090 432657243 /nfs/dbraw/zinc/65/72/43/432657243.db2.gz WITIXLBGHAXWMQ-FUHWJXTLSA-N 1 0 323.502 3.154 10 0 DGAERO CCCC[N@H+](C[C@H](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000158740246 432657814 /nfs/dbraw/zinc/65/78/14/432657814.db2.gz WITIXLBGHAXWMQ-SJLPKXTDSA-N 1 0 323.502 3.154 10 0 DGAERO CCc1ccc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)o1 ZINC000177746931 432657961 /nfs/dbraw/zinc/65/79/61/432657961.db2.gz MHZYYCOTYIZQIF-UHFFFAOYSA-N 1 0 322.408 3.342 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(CC)c(F)c2)C1 ZINC000158829634 432658980 /nfs/dbraw/zinc/65/89/80/432658980.db2.gz XLLCMADRWDXVAU-CYBMUJFWSA-N 1 0 307.413 3.242 10 0 DGAERO c1sc(C2CCCC2)nc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177761434 432659212 /nfs/dbraw/zinc/65/92/12/432659212.db2.gz PWIARXUZOPODDG-MRXNPFEDSA-N 1 0 305.491 3.471 10 0 DGAERO CC[N@H+](C[C@@H](C)COC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187411606 432662179 /nfs/dbraw/zinc/66/21/79/432662179.db2.gz BHRZTNYQMKSWKE-IEBWSBKVSA-N 1 0 304.478 3.113 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)s1 ZINC000159037835 432666232 /nfs/dbraw/zinc/66/62/32/432666232.db2.gz WHCNWWBWLNCNBC-GDBMZVCRSA-N 1 0 316.470 3.407 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC000159000617 432667172 /nfs/dbraw/zinc/66/71/72/432667172.db2.gz CAXVWNHICFJRHY-PPSBMQLTSA-N 1 0 314.473 3.417 10 0 DGAERO CC[C@H]1CN(c2ncc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000159680637 432692683 /nfs/dbraw/zinc/69/26/83/432692683.db2.gz PLVARTXDENQQIK-KWQFWETISA-N 1 0 318.646 3.061 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(Br)s2)C1 ZINC000187933441 432692712 /nfs/dbraw/zinc/69/27/12/432692712.db2.gz VUOCYQZTRGEMMV-GXFFZTMASA-N 1 0 318.280 3.494 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3cccs3)o2)C1 ZINC000187937308 432695123 /nfs/dbraw/zinc/69/51/23/432695123.db2.gz CMIMTHRQKOPGAS-WBMJQRKESA-N 1 0 306.431 3.386 10 0 DGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)CC2)cc1 ZINC000188026320 432700780 /nfs/dbraw/zinc/70/07/80/432700780.db2.gz CQJFELNBXHKCKX-OFQRWUPVSA-N 1 0 324.490 3.214 10 0 DGAERO COC[C@H](C)C[NH2+]C(C)(C)COc1ncc(Cl)cc1Cl ZINC000188171105 432709653 /nfs/dbraw/zinc/70/96/53/432709653.db2.gz PHQQDSMUHOOLOX-SNVBAGLBSA-N 1 0 321.248 3.418 10 0 DGAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000227973950 432717282 /nfs/dbraw/zinc/71/72/82/432717282.db2.gz BGLAHDRJOLDBQM-HYVNUMGLSA-N 1 0 311.491 3.430 10 0 DGAERO CCCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)ccc1OC ZINC000188331660 432717390 /nfs/dbraw/zinc/71/73/90/432717390.db2.gz XAKDHURTGXBVOL-RDTXWAMCSA-N 1 0 307.434 3.341 10 0 DGAERO C[C@@H]1CCC[N@H+](CCN2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000229401199 432721950 /nfs/dbraw/zinc/72/19/50/432721950.db2.gz KLTGLSCNSTWFQB-XLIONFOSSA-N 1 0 316.489 3.164 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1cc(F)ccc1Br ZINC000223248258 432676720 /nfs/dbraw/zinc/67/67/20/432676720.db2.gz VETWPLDTLNTRQY-UHFFFAOYSA-N 1 0 304.203 3.227 10 0 DGAERO C[C@H]1C[C@H](NC(=O)Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000159237113 432676821 /nfs/dbraw/zinc/67/68/21/432676821.db2.gz CQIBYWXFZQNQHJ-YJBOKZPZSA-N 1 0 309.413 3.471 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)co2)C[C@H](c2ccccc2)C1 ZINC000187710387 432677563 /nfs/dbraw/zinc/67/75/63/432677563.db2.gz ZSYJLIFOULYMTN-YSVLISHTSA-N 1 0 312.413 3.441 10 0 DGAERO COC[C@@H](C)C[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000187707574 432678757 /nfs/dbraw/zinc/67/87/57/432678757.db2.gz LJOHFFCLQZFVCI-RYUDHWBXSA-N 1 0 305.340 3.345 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCO[C@@H](c2cncn2C)C1 ZINC000275353530 432725504 /nfs/dbraw/zinc/72/55/04/432725504.db2.gz AHFGTCDSGMPXOA-LISAXSMJSA-N 1 0 303.450 3.222 10 0 DGAERO CC(C)[C@@H](CCc1ccccc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187709252 432678858 /nfs/dbraw/zinc/67/88/58/432678858.db2.gz VZZBJYBDAWMKEY-QGZVFWFLSA-N 1 0 300.402 3.126 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)c(C)c1 ZINC000178054724 432689404 /nfs/dbraw/zinc/68/94/04/432689404.db2.gz JCZOZVMGJZKILH-HNNXBMFYSA-N 1 0 307.401 3.130 10 0 DGAERO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187853441 432689551 /nfs/dbraw/zinc/68/95/51/432689551.db2.gz CFRUFKQEDKZWRS-SWLSCSKDSA-N 1 0 308.397 3.090 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)s1 ZINC000178057997 432689549 /nfs/dbraw/zinc/68/95/49/432689549.db2.gz WPNVWUYECNLNFY-LBPRGKRZSA-N 1 0 313.430 3.137 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(Cl)c1 ZINC000178053180 432689696 /nfs/dbraw/zinc/68/96/96/432689696.db2.gz AXAZIQRXHCRZLB-GFCCVEGCSA-N 1 0 313.792 3.167 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000187907890 432691443 /nfs/dbraw/zinc/69/14/43/432691443.db2.gz AMAIRZFMNGPTKU-SJCJKPOMSA-N 1 0 321.852 3.210 10 0 DGAERO CC(=O)N1CCC([NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000236571461 432748608 /nfs/dbraw/zinc/74/86/08/432748608.db2.gz UOXWAYMQZLWOFM-UHFFFAOYSA-N 1 0 302.462 3.127 10 0 DGAERO CC(C)(C)c1ccc(CCC(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000236581443 432749601 /nfs/dbraw/zinc/74/96/01/432749601.db2.gz QOQLBPBCJLGCLC-DOTOQJQBSA-N 1 0 302.462 3.160 10 0 DGAERO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3cccnc3C)C2=O)c(C)c1 ZINC000188941352 432753263 /nfs/dbraw/zinc/75/32/63/432753263.db2.gz PVLHMBPSWYGLFS-GOSISDBHSA-N 1 0 323.440 3.210 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(CO)c(F)c1)CCC2 ZINC000178565722 432754675 /nfs/dbraw/zinc/75/46/75/432754675.db2.gz GFKVXVAPYBTHQV-CQSZACIVSA-N 1 0 306.406 3.250 10 0 DGAERO c1coc([C@@H](C[NH2+]Cc2ccc3c[nH]nc3c2)N2CCCCC2)c1 ZINC000236667423 432755411 /nfs/dbraw/zinc/75/54/11/432755411.db2.gz LFWAXIBLHTZNKM-GOSISDBHSA-N 1 0 324.428 3.473 10 0 DGAERO CCOc1cc(C[N@H+](C)CC2(CO)CC2)ccc1OCC(C)C ZINC000188947955 432755748 /nfs/dbraw/zinc/75/57/48/432755748.db2.gz VQDFEZUXWYXSQX-UHFFFAOYSA-N 1 0 321.461 3.324 10 0 DGAERO COc1c(C)cc(C[N@H+](C)C[C@H](O)CC(F)(F)F)cc1C ZINC000189038625 432759973 /nfs/dbraw/zinc/75/99/73/432759973.db2.gz SXVWEXILFOTUAW-CYBMUJFWSA-N 1 0 305.340 3.057 10 0 DGAERO CCCCN(CC)c1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1 ZINC000236729347 432761410 /nfs/dbraw/zinc/76/14/10/432761410.db2.gz RJVXLYZSOZHMGY-UHFFFAOYSA-N 1 0 317.477 3.137 10 0 DGAERO C[C@H]1CC[C@H](C)[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189058015 432761979 /nfs/dbraw/zinc/76/19/79/432761979.db2.gz IHUXJOJGUMYXJY-HOTGVXAUSA-N 1 0 300.446 3.082 10 0 DGAERO CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236742346 432763006 /nfs/dbraw/zinc/76/30/06/432763006.db2.gz LKXDPLXFBAIBSX-NVXWUHKLSA-N 1 0 306.425 3.472 10 0 DGAERO COc1ccccc1-c1ccc(C[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189089535 432763190 /nfs/dbraw/zinc/76/31/90/432763190.db2.gz LPHAQMKAGFUVNX-OAHLLOKOSA-N 1 0 324.424 3.073 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1csc(Cl)c1 ZINC000189173542 432768808 /nfs/dbraw/zinc/76/88/08/432768808.db2.gz VJNNOCAMGULGDN-AWEZNQCLSA-N 1 0 322.861 3.304 10 0 DGAERO CC(C)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000189269733 432773375 /nfs/dbraw/zinc/77/33/75/432773375.db2.gz OCYDJDPEQROMTN-CQSZACIVSA-N 1 0 306.837 3.384 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)CC[C@H]1C ZINC000189256976 432773859 /nfs/dbraw/zinc/77/38/59/432773859.db2.gz ZZICIEUDMQYSFV-DOMZBBRYSA-N 1 0 317.351 3.485 10 0 DGAERO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237009316 432775257 /nfs/dbraw/zinc/77/52/57/432775257.db2.gz BQMAMTOCUNLYHF-ZMSDIMECSA-N 1 0 318.461 3.306 10 0 DGAERO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000178788853 432777066 /nfs/dbraw/zinc/77/70/66/432777066.db2.gz CXOBBMBBFIVMDA-ZDUSSCGKSA-N 1 0 306.479 3.272 10 0 DGAERO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000178856974 432782902 /nfs/dbraw/zinc/78/29/02/432782902.db2.gz MQPDEMRPVKKOMO-GFCCVEGCSA-N 1 0 316.376 3.285 10 0 DGAERO Brc1cccc2c1C[N@H+](CC[C@H]1CCCO1)CC2 ZINC000189356089 432781613 /nfs/dbraw/zinc/78/16/13/432781613.db2.gz LLQHEARHLKJRHP-CYBMUJFWSA-N 1 0 310.235 3.376 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000178446515 432737966 /nfs/dbraw/zinc/73/79/66/432737966.db2.gz OODFOMQTPOCRSG-HZMBPMFUSA-N 1 0 306.431 3.153 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)cc1F ZINC000178444975 432738593 /nfs/dbraw/zinc/73/85/93/432738593.db2.gz AZQXZSBQCKKCCK-LRDDRELGSA-N 1 0 319.376 3.227 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccncc2OC)C12CCCC2 ZINC000188761191 432744475 /nfs/dbraw/zinc/74/44/75/432744475.db2.gz LAMNKUHWCYHXGH-RRQGHBQHSA-N 1 0 304.434 3.479 10 0 DGAERO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC000178509755 432744875 /nfs/dbraw/zinc/74/48/75/432744875.db2.gz GYHCYACKEKEKCU-LPHOPBHVSA-N 1 0 301.478 3.462 10 0 DGAERO Cc1ccc(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)o1 ZINC000162380959 432821897 /nfs/dbraw/zinc/82/18/97/432821897.db2.gz JCADFVMUAPYSEY-IBGZPJMESA-N 1 0 312.413 3.373 10 0 DGAERO CC(C)C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccn1 ZINC000162507734 432826323 /nfs/dbraw/zinc/82/63/23/432826323.db2.gz OMLVEQPHHBTZAN-SFHVURJKSA-N 1 0 311.429 3.188 10 0 DGAERO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(F)cc(F)c1 ZINC000162533116 432826382 /nfs/dbraw/zinc/82/63/82/432826382.db2.gz FHJONFPMYAMVQT-GFCCVEGCSA-N 1 0 304.340 3.045 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000245436302 432830205 /nfs/dbraw/zinc/83/02/05/432830205.db2.gz UZDYIBCHPAUUMA-VHDGCEQUSA-N 1 0 322.399 3.011 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277110720 432830420 /nfs/dbraw/zinc/83/04/20/432830420.db2.gz DGSIONIKWXGBDS-CLVCIHKQSA-N 1 0 304.409 3.172 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1SCCc2sccc21 ZINC000245433850 432830934 /nfs/dbraw/zinc/83/09/34/432830934.db2.gz QKCWXDDYYBUEPY-IUODEOHRSA-N 1 0 324.515 3.021 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000245434834 432831030 /nfs/dbraw/zinc/83/10/30/432831030.db2.gz RYYPKMOKJYEVEC-HOTGVXAUSA-N 1 0 312.417 3.258 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2cccs2)n1 ZINC000245442471 432832110 /nfs/dbraw/zinc/83/21/10/432832110.db2.gz WJJDWVWUVNVCNK-CABCVRRESA-N 1 0 317.458 3.462 10 0 DGAERO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](CC)c2nccs2)CC1 ZINC000162828429 432835566 /nfs/dbraw/zinc/83/55/66/432835566.db2.gz UTULJVBZQHRDQM-AWEZNQCLSA-N 1 0 324.494 3.110 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000245469065 432835955 /nfs/dbraw/zinc/83/59/55/432835955.db2.gz LKPADUYLOIZXTM-WMZOPIPTSA-N 1 0 315.461 3.190 10 0 DGAERO C[C@H]1CCCC[C@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000245496023 432836563 /nfs/dbraw/zinc/83/65/63/432836563.db2.gz QPQWFHQFFIVCLQ-UCHQMPSGSA-N 1 0 307.482 3.222 10 0 DGAERO Cc1cc(C(=O)NCC[NH+]2CCCCCC2)c(Cl)cc1F ZINC000162925961 432837446 /nfs/dbraw/zinc/83/74/46/432837446.db2.gz OLDCJSJUQHNENU-UHFFFAOYSA-N 1 0 312.816 3.393 10 0 DGAERO O=C1NCC[C@@H]1[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000178990745 432793997 /nfs/dbraw/zinc/79/39/97/432793997.db2.gz RNQYZPCBDGLNLX-OALUTQOASA-N 1 0 308.425 3.229 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000179014329 432796085 /nfs/dbraw/zinc/79/60/85/432796085.db2.gz JXFMIORKDUYYMQ-SJORKVTESA-N 1 0 313.376 3.393 10 0 DGAERO CC(C)OC1CC([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000189555216 432799771 /nfs/dbraw/zinc/79/97/71/432799771.db2.gz KOQLVSQFYFANQQ-VKYMVXLJSA-N 1 0 324.415 3.256 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085365325 292678785 /nfs/dbraw/zinc/67/87/85/292678785.db2.gz BSHOVHJFJKGYKH-GJZGRUSLSA-N 1 0 305.466 3.332 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000237855488 432801230 /nfs/dbraw/zinc/80/12/30/432801230.db2.gz BAFNFPYWAIXMBM-SJORKVTESA-N 1 0 300.446 3.128 10 0 DGAERO Cc1cc(-c2csc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)n2)c(C)o1 ZINC000237881496 432802663 /nfs/dbraw/zinc/80/26/63/432802663.db2.gz IXUXLTYYLICMNZ-NWDGAFQWSA-N 1 0 319.430 3.476 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)N(CCc2ccccc2)c2ccccc2)C1 ZINC000237885814 432803037 /nfs/dbraw/zinc/80/30/37/432803037.db2.gz VESHETJYUVKVEH-ROUUACIJSA-N 1 0 308.425 3.390 10 0 DGAERO CCn1cc([C@@H]2CN(c3cc[nH+]c4ccccc43)CCO2)cn1 ZINC000189606017 432803791 /nfs/dbraw/zinc/80/37/91/432803791.db2.gz RKDLDGFMIJIVJZ-SFHVURJKSA-N 1 0 308.385 3.029 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000237951945 432805776 /nfs/dbraw/zinc/80/57/76/432805776.db2.gz BAFNFPYWAIXMBM-DLBZAZTESA-N 1 0 300.446 3.128 10 0 DGAERO C[C@H](CCC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000162003520 432806967 /nfs/dbraw/zinc/80/69/67/432806967.db2.gz QMCPQCVJZWFHAB-SJLPKXTDSA-N 1 0 311.429 3.458 10 0 DGAERO C[C@H](c1cccc(F)c1)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189740624 432815801 /nfs/dbraw/zinc/81/58/01/432815801.db2.gz OUFBGPZORLWOBV-QAPCUYQASA-N 1 0 306.425 3.073 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)s1 ZINC000245736449 432860504 /nfs/dbraw/zinc/86/05/04/432860504.db2.gz FRLLSJOGSCBBMQ-ZIAGYGMSSA-N 1 0 312.504 3.048 10 0 DGAERO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000245853150 432865529 /nfs/dbraw/zinc/86/55/29/432865529.db2.gz MVWSKXLIKVHEEY-WMZOPIPTSA-N 1 0 302.462 3.359 10 0 DGAERO Fc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000245840680 432865568 /nfs/dbraw/zinc/86/55/68/432865568.db2.gz HTEITEFRNYEVJA-GJZGRUSLSA-N 1 0 313.413 3.451 10 0 DGAERO CN1CC[C@H]([NH2+]CC2=CCCOC2)[C@H]1c1ccc(Cl)cc1 ZINC000245868197 432865968 /nfs/dbraw/zinc/86/59/68/432865968.db2.gz LQBKOOPZSRWXRQ-DLBZAZTESA-N 1 0 306.837 3.022 10 0 DGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000245869071 432866070 /nfs/dbraw/zinc/86/60/70/432866070.db2.gz IZRKQNDLRNQESW-SOUVJXGZSA-N 1 0 320.481 3.105 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1Cc1cccc2nccn21)c1ccco1 ZINC000245860786 432866460 /nfs/dbraw/zinc/86/64/60/432866460.db2.gz OTSFUZQBSNEKON-GDBMZVCRSA-N 1 0 311.385 3.015 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000245867137 432866554 /nfs/dbraw/zinc/86/65/54/432866554.db2.gz LOVMRTODEOTSKO-KSSFIOAISA-N 1 0 310.397 3.255 10 0 DGAERO Cn1cccc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245898051 432868340 /nfs/dbraw/zinc/86/83/40/432868340.db2.gz PMUIXARJNJSSDY-SJORKVTESA-N 1 0 303.837 3.214 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000245896657 432868341 /nfs/dbraw/zinc/86/83/41/432868341.db2.gz RFTZLPIGIUZSHU-YESZJQIVSA-N 1 0 300.450 3.027 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC000245901281 432868343 /nfs/dbraw/zinc/86/83/43/432868343.db2.gz SDRVRJCBEDDKQE-RDJZCZTQSA-N 1 0 318.461 3.132 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000245927329 432870415 /nfs/dbraw/zinc/87/04/15/432870415.db2.gz ZHEUXNWFHSIDFA-HRCADAONSA-N 1 0 302.466 3.298 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245970515 432873092 /nfs/dbraw/zinc/87/30/92/432873092.db2.gz FKORLIUCKXMUPY-WMLDXEAASA-N 1 0 321.440 3.006 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000245978618 432873514 /nfs/dbraw/zinc/87/35/14/432873514.db2.gz XUXTYHWQTPUBEM-XGUBFFRZSA-N 1 0 306.475 3.005 10 0 DGAERO CC[C@H](N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000245994177 432873767 /nfs/dbraw/zinc/87/37/67/432873767.db2.gz DVONGKKRRGLCLL-NJAFHUGGSA-N 1 0 312.461 3.124 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)c(F)c2)[C@@H](C)C1 ZINC000245987176 432873875 /nfs/dbraw/zinc/87/38/75/432873875.db2.gz HSXYGZXHUVSFKK-SWLSCSKDSA-N 1 0 323.412 3.028 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cccc2C)[C@@H](C)C1 ZINC000245981331 432873928 /nfs/dbraw/zinc/87/39/28/432873928.db2.gz HAKQPAOHSHJQKX-HOTGVXAUSA-N 1 0 303.450 3.497 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000246028452 432874436 /nfs/dbraw/zinc/87/44/36/432874436.db2.gz NGFAEKYRIYVJGY-GOEBONIOSA-N 1 0 319.449 3.198 10 0 DGAERO CCOc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246037263 432874922 /nfs/dbraw/zinc/87/49/22/432874922.db2.gz OLNJBEYEUGUBOT-YOEHRIQHSA-N 1 0 319.449 3.279 10 0 DGAERO CC(C)(C)Oc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cn1 ZINC000246044997 432875074 /nfs/dbraw/zinc/87/50/74/432875074.db2.gz XMBJWEHKGHTENV-USXIJHARSA-N 1 0 316.445 3.306 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246045862 432875405 /nfs/dbraw/zinc/87/54/05/432875405.db2.gz UAGQZLGCMXQAHN-YUELXQCFSA-N 1 0 322.399 3.059 10 0 DGAERO CCc1csc([C@@H]2CCCN(CCC[NH+]3CCCC3)C2)n1 ZINC000163008710 432840126 /nfs/dbraw/zinc/84/01/26/432840126.db2.gz QDWKUBBQZPFZNT-OAHLLOKOSA-N 1 0 307.507 3.371 10 0 DGAERO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000163078241 432842008 /nfs/dbraw/zinc/84/20/08/432842008.db2.gz VEZHATWSQCVPCI-ZOBUZTSGSA-N 1 0 324.424 3.476 10 0 DGAERO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000163078422 432842079 /nfs/dbraw/zinc/84/20/79/432842079.db2.gz VEZHATWSQCVPCI-VYDXJSESSA-N 1 0 324.424 3.476 10 0 DGAERO Clc1nc2ccccn2c1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245549445 432842765 /nfs/dbraw/zinc/84/27/65/432842765.db2.gz ZECCBEWXOMKWNX-TZMCWYRMSA-N 1 0 305.809 3.131 10 0 DGAERO c1cncc(-c2cccc(CN3CC[N@@H+]4CCCC[C@H]4C3)c2)c1 ZINC000245555278 432843192 /nfs/dbraw/zinc/84/31/92/432843192.db2.gz IFNKBKHEPIPVJT-FQEVSTJZSA-N 1 0 307.441 3.419 10 0 DGAERO COc1cccc([C@H]2[C@@H](NC(=O)CC(C)C)CC[N@@H+]2C2CC2)c1 ZINC000245552465 432843266 /nfs/dbraw/zinc/84/32/66/432843266.db2.gz QMUFDCNGHGPIOM-HKUYNNGSSA-N 1 0 316.445 3.135 10 0 DGAERO CCCOc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)ccc1OC ZINC000245557947 432845460 /nfs/dbraw/zinc/84/54/60/432845460.db2.gz KJEZIRBYWHAJOB-KRWDZBQOSA-N 1 0 318.461 3.154 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)c1ccccc1C ZINC000245583788 432848393 /nfs/dbraw/zinc/84/83/93/432848393.db2.gz ABJAYSNDFQRUQZ-BBWFWOEESA-N 1 0 315.461 3.324 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000163268359 432848508 /nfs/dbraw/zinc/84/85/08/432848508.db2.gz BUARILSOBNRFQV-GOEBONIOSA-N 1 0 324.465 3.063 10 0 DGAERO CCCc1cnc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000245613023 432849683 /nfs/dbraw/zinc/84/96/83/432849683.db2.gz LCRZMHIECSZGMP-OCCSQVGLSA-N 1 0 324.494 3.290 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000245620197 432850079 /nfs/dbraw/zinc/85/00/79/432850079.db2.gz WLCBCDAHBRYUFL-IKGGRYGDSA-N 1 0 310.869 3.346 10 0 DGAERO COc1ccc(OC)c(CN(CC[C@H]2CCC[N@@H+]2C)C2CC2)c1 ZINC000163349047 432850698 /nfs/dbraw/zinc/85/06/98/432850698.db2.gz CLCVAIFTJWLUFB-MRXNPFEDSA-N 1 0 318.461 3.153 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1C ZINC000245624692 432850854 /nfs/dbraw/zinc/85/08/54/432850854.db2.gz PVRDEBPRGJUVLR-CXAGYDPISA-N 1 0 317.433 3.048 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000245633222 432851180 /nfs/dbraw/zinc/85/11/80/432851180.db2.gz INDDVAXAWWADFP-IAGOWNOFSA-N 1 0 313.376 3.393 10 0 DGAERO CCCc1csc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)n1 ZINC000245638334 432851976 /nfs/dbraw/zinc/85/19/76/432851976.db2.gz XRKUEQNNSWDUOU-TZMCWYRMSA-N 1 0 324.494 3.290 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]C1CCN(C(N)=O)CC1)C(C)(C)C ZINC000163451097 432852064 /nfs/dbraw/zinc/85/20/64/432852064.db2.gz UPQYDVMXQYSCEC-MRXNPFEDSA-N 1 0 303.450 3.215 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1c(F)cccc1F ZINC000245649796 432852547 /nfs/dbraw/zinc/85/25/47/432852547.db2.gz DBLCHHYIIBAGBZ-CHWSQXEVSA-N 1 0 310.388 3.011 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000296820674 432928576 /nfs/dbraw/zinc/92/85/76/432928576.db2.gz NIDGSFJKQPNTPL-SKDRFNHKSA-N 1 0 302.187 3.103 10 0 DGAERO CCCC[C@@H](NC1CC[NH+](CCC)CC1)C(=O)OC(C)(C)C ZINC000154829439 292691345 /nfs/dbraw/zinc/69/13/45/292691345.db2.gz HCBROOAPLGGCSX-MRXNPFEDSA-N 1 0 312.498 3.351 10 0 DGAERO c1ccc(-c2cccc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)c2)nc1 ZINC000289097641 432921860 /nfs/dbraw/zinc/92/18/60/432921860.db2.gz BXAADKPNQFENKZ-HXUWFJFHSA-N 1 0 324.424 3.130 10 0 DGAERO c1[nH]nc2cc(CC[NH2+]Cc3cc(-c4ccccc4)n[nH]3)ccc12 ZINC000341265176 433010307 /nfs/dbraw/zinc/01/03/07/433010307.db2.gz KMVHVBOUPFPZPS-UHFFFAOYSA-N 1 0 317.396 3.285 10 0 DGAERO c1cc(-c2nc(C[C@@H]3CCCO3)no2)ccc1C[NH+]1CCCC1 ZINC000349828786 433016583 /nfs/dbraw/zinc/01/65/83/433016583.db2.gz RYMHFKQUUPPQJN-INIZCTEOSA-N 1 0 313.401 3.054 10 0 DGAERO Cc1ccnc(C)c1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333272826 433045636 /nfs/dbraw/zinc/04/56/36/433045636.db2.gz GIZBOMGSLWXZDF-HZPDHXFCSA-N 1 0 316.449 3.084 10 0 DGAERO C[C@H]1C[NH2+]CCN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000333201371 433039690 /nfs/dbraw/zinc/03/96/90/433039690.db2.gz XWLZJEZDLZKNPI-NSHDSACASA-N 1 0 308.451 3.016 10 0 DGAERO c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000341367669 433039794 /nfs/dbraw/zinc/03/97/94/433039794.db2.gz AEINZUYNLJUYCA-KZNAEPCWSA-N 1 0 315.461 3.081 10 0 DGAERO CCc1noc(C)c1NC(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000155256920 292703054 /nfs/dbraw/zinc/70/30/54/292703054.db2.gz HVJHWPCIUARJDH-UHFFFAOYSA-N 1 0 324.469 3.377 10 0 DGAERO CC(C)[C@H]1N(C(=O)Nc2ncccc2C[NH3+])CC12CCCCC2 ZINC000333256590 433043544 /nfs/dbraw/zinc/04/35/44/433043544.db2.gz DGPGHFDCBWBMKZ-OAHLLOKOSA-N 1 0 316.449 3.363 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C(C)C ZINC000157222617 292741689 /nfs/dbraw/zinc/74/16/89/292741689.db2.gz XILDGKQVEOMFAY-HLLBOEOZSA-N 1 0 305.466 3.219 10 0 DGAERO Cc1nccnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000290664593 433134848 /nfs/dbraw/zinc/13/48/48/433134848.db2.gz QJKRRIJZZXHWKZ-AYHJJNSGSA-N 1 0 308.429 3.393 10 0 DGAERO c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000361381973 433141021 /nfs/dbraw/zinc/14/10/21/433141021.db2.gz SALKWMSFWGRDMX-ZCNNSNEGSA-N 1 0 308.425 3.476 10 0 DGAERO Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCn3c(C)ncc3C2)o1 ZINC000290632292 433120303 /nfs/dbraw/zinc/12/03/03/433120303.db2.gz YSIWJIVZGULGKE-GDBMZVCRSA-N 1 0 313.401 3.019 10 0 DGAERO CC[C@H]1C[C@H](C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)CCO1 ZINC000425369559 433208702 /nfs/dbraw/zinc/20/87/02/433208702.db2.gz MJYLEVPFKYLHPS-KGLIPLIRSA-N 1 0 324.852 3.382 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000425366128 433209107 /nfs/dbraw/zinc/20/91/07/433209107.db2.gz ZNFNFSZZHXIIGR-QWHCGFSZSA-N 1 0 316.264 3.312 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000447161539 433168641 /nfs/dbraw/zinc/16/86/41/433168641.db2.gz ZSTPFZWVIHELBX-SNVBAGLBSA-N 1 0 304.217 3.277 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)O1 ZINC000336704829 433181891 /nfs/dbraw/zinc/18/18/91/433181891.db2.gz HKYJFJQSRCPKMU-MSOLQXFVSA-N 1 0 302.462 3.198 10 0 DGAERO CC(=O)c1ccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000341698407 433221785 /nfs/dbraw/zinc/22/17/85/433221785.db2.gz PJLMRFMCTMCIHQ-UHFFFAOYSA-N 1 0 317.433 3.275 10 0 DGAERO CCC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccn1 ZINC000447607549 433242444 /nfs/dbraw/zinc/24/24/44/433242444.db2.gz SREOZTJOJVIOHV-LLVKDONJSA-N 1 0 308.319 3.429 10 0 DGAERO Oc1ccc2c(c1)C1(CC1)C[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000361576738 433258666 /nfs/dbraw/zinc/25/86/66/433258666.db2.gz JPDCCIRWUAINAN-UHFFFAOYSA-N 1 0 313.372 3.458 10 0 DGAERO Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCC1CCCCC1)C2 ZINC000361593447 433268017 /nfs/dbraw/zinc/26/80/17/433268017.db2.gz HXMMMCOBHMMJPY-UHFFFAOYSA-N 1 0 300.446 3.397 10 0 DGAERO CC(=O)N1CCC(C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000290938825 433211139 /nfs/dbraw/zinc/21/11/39/433211139.db2.gz SVEPKGAYTFYRRB-UHFFFAOYSA-N 1 0 316.489 3.375 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CCc2ccsc2)c2ccccc2C1 ZINC000374884815 433302195 /nfs/dbraw/zinc/30/21/95/433302195.db2.gz WUSPTJPHXNTKBB-SFHVURJKSA-N 1 0 314.454 3.374 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361749511 433370102 /nfs/dbraw/zinc/37/01/02/433370102.db2.gz FHUXOXPEJNZODU-LSDHHAIUSA-N 1 0 312.413 3.017 10 0 DGAERO C[C@@H]1CCOCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000374995918 433327853 /nfs/dbraw/zinc/32/78/53/433327853.db2.gz FPLMEOIYWYUYJL-GFCCVEGCSA-N 1 0 321.808 3.043 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)n(-c2ccccc2)n1 ZINC000448339211 433387024 /nfs/dbraw/zinc/38/70/24/433387024.db2.gz KWFYZBUDWMYSMV-DLBZAZTESA-N 1 0 311.429 3.121 10 0 DGAERO c1ccc(COc2ccc(C[N@@H+]3CC[C@]34CCOC4)cc2)nc1 ZINC000421030994 433398279 /nfs/dbraw/zinc/39/82/79/433398279.db2.gz ZIVXUVXJTHLJTL-LJQANCHMSA-N 1 0 310.397 3.025 10 0 DGAERO c1sc(NCCCC[NH+]2CCOCC2)nc1-c1ccccc1 ZINC000301077094 433404896 /nfs/dbraw/zinc/40/48/96/433404896.db2.gz HFBNPEMZIWIJMS-UHFFFAOYSA-N 1 0 317.458 3.334 10 0 DGAERO CC(C)n1cncc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000448552363 433419954 /nfs/dbraw/zinc/41/99/54/433419954.db2.gz VRYIABPQBDWTCG-UHFFFAOYSA-N 1 0 312.461 3.172 10 0 DGAERO c1ccc(NCCCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)nc1 ZINC000361888049 433436954 /nfs/dbraw/zinc/43/69/54/433436954.db2.gz IYQYQBUWKGJUQY-OKZBNKHCSA-N 1 0 317.477 3.459 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)Cn1cncn1 ZINC000342072195 433448992 /nfs/dbraw/zinc/44/89/92/433448992.db2.gz SQQLDOUHBYPDPG-TZQNSNDFSA-N 1 0 324.350 3.379 10 0 DGAERO c1cnc2nc(N[C@H]3CCC[N@@H+](C4CCCCC4)C3)ccc2n1 ZINC000301211459 433456256 /nfs/dbraw/zinc/45/62/56/433456256.db2.gz VLFMGFLJQRHSQO-AWEZNQCLSA-N 1 0 311.433 3.234 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2ccc(OC)c(F)c2)n1 ZINC000361931131 433456470 /nfs/dbraw/zinc/45/64/70/433456470.db2.gz TXGTXLAERRHYQE-LBPRGKRZSA-N 1 0 304.365 3.131 10 0 DGAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000414205090 433459123 /nfs/dbraw/zinc/45/91/23/433459123.db2.gz CKVUDWLUPQVAHZ-SKDRFNHKSA-N 1 0 317.658 3.142 10 0 DGAERO c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000355108529 433468223 /nfs/dbraw/zinc/46/82/23/433468223.db2.gz ODCSYCLZTSMAEJ-CZUORRHYSA-N 1 0 315.442 3.206 10 0 DGAERO CN1C[C@@H]([NH2+][C@H]2CCCSc3ccc(Cl)cc32)CCC1=O ZINC000152451800 290279340 /nfs/dbraw/zinc/27/93/40/290279340.db2.gz OTSNJXZDFCKFBH-JSGCOSHPSA-N 1 0 324.877 3.477 10 0 DGAERO CCC[N@@H+]1CCCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000301275209 433480067 /nfs/dbraw/zinc/48/00/67/433480067.db2.gz KVLSQOYYUGWXRB-UHFFFAOYSA-N 1 0 304.825 3.205 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000342120982 433480671 /nfs/dbraw/zinc/48/06/71/433480671.db2.gz AXZYOYVVPDROKL-OBIHZWKSSA-N 1 0 314.351 3.175 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980145 433480711 /nfs/dbraw/zinc/48/07/11/433480711.db2.gz HOOWNPQGTCMDDM-SGZDXZSOSA-N 1 0 316.489 3.038 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000355138993 433483453 /nfs/dbraw/zinc/48/34/53/433483453.db2.gz UAGKSCVZYBOAEZ-QZTJIDSGSA-N 1 0 301.430 3.476 10 0 DGAERO c1c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)[nH]nc1-c1ccccc1 ZINC000355202152 433529888 /nfs/dbraw/zinc/52/98/88/433529888.db2.gz BREBBALCLKHSDY-IRXDYDNUSA-N 1 0 311.429 3.325 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCOCC[C@@H]1C ZINC000362046219 433505519 /nfs/dbraw/zinc/50/55/19/433505519.db2.gz NPEWYKFCAQFAET-INIZCTEOSA-N 1 0 304.434 3.133 10 0 DGAERO C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)c1nnc(C2CC2)s1 ZINC000414336347 433550527 /nfs/dbraw/zinc/55/05/27/433550527.db2.gz YZCJWXQPRODTBD-MGPQQGTHSA-N 1 0 307.463 3.100 10 0 DGAERO C[C@H]1CCOCCN1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000362232155 433593431 /nfs/dbraw/zinc/59/34/31/433593431.db2.gz AUNSYAZPPFERPG-JTQLQIEISA-N 1 0 314.307 3.457 10 0 DGAERO c1cc(-c2ccc(C[NH2+]CC3(c4ccccn4)CCC3)o2)n[nH]1 ZINC000375753506 433556475 /nfs/dbraw/zinc/55/64/75/433556475.db2.gz LMGFUHFZLVMBKI-UHFFFAOYSA-N 1 0 308.385 3.276 10 0 DGAERO c1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000282299170 433560503 /nfs/dbraw/zinc/56/05/03/433560503.db2.gz SMKHNTRETBVHRY-SJLPKXTDSA-N 1 0 300.446 3.204 10 0 DGAERO c1ccc(COc2ccccc2C[N@@H+]2CC[C@]23CCOC3)nc1 ZINC000421394565 433542147 /nfs/dbraw/zinc/54/21/47/433542147.db2.gz GPYVQMGWLSDPGD-LJQANCHMSA-N 1 0 310.397 3.025 10 0 DGAERO c1ccc(COc2ccccc2C[N@@H+]2CC[C@@]23CCOC3)nc1 ZINC000421394563 433542938 /nfs/dbraw/zinc/54/29/38/433542938.db2.gz GPYVQMGWLSDPGD-IBGZPJMESA-N 1 0 310.397 3.025 10 0 DGAERO CCc1ncc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)cn1 ZINC000414462304 433628791 /nfs/dbraw/zinc/62/87/91/433628791.db2.gz UFJKMBLKJBOEFS-MRXNPFEDSA-N 1 0 303.356 3.484 10 0 DGAERO CCC[C@H](C(=O)NCC[C@@H](C)c1ccc(OC)cc1)[NH+](C)C ZINC000162280919 292850816 /nfs/dbraw/zinc/85/08/16/292850816.db2.gz NRLZTMIFHJNMBI-RHSMWYFYSA-N 1 0 306.450 3.035 10 0 DGAERO C[C@@H](F)CC[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000339486683 433616470 /nfs/dbraw/zinc/61/64/70/433616470.db2.gz UINKAGOQENWLQJ-MRVPVSSYSA-N 1 0 304.159 3.016 10 0 DGAERO C[C@H]1C[C@@H](Nc2ncnc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000301585418 433622893 /nfs/dbraw/zinc/62/28/93/433622893.db2.gz VGPKVPWXJKEZSG-CMPLNLGQSA-N 1 0 302.809 3.320 10 0 DGAERO CCn1nnc(C)c1C[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000449010662 433657702 /nfs/dbraw/zinc/65/77/02/433657702.db2.gz MLHNTKSECYBSQL-AWEZNQCLSA-N 1 0 316.449 3.068 10 0 DGAERO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC000376078944 433659142 /nfs/dbraw/zinc/65/91/42/433659142.db2.gz GERANINOGKXPAN-IAGOWNOFSA-N 1 0 306.494 3.393 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@H]1COc2ccccc21 ZINC000342414732 433674386 /nfs/dbraw/zinc/67/43/86/433674386.db2.gz JWIYUOPUVPUYPY-HNNXBMFYSA-N 1 0 305.381 3.343 10 0 DGAERO COc1cccc(C2=CCN(Cc3cnc4cnccn34)CC2)c1 ZINC000362390160 433680139 /nfs/dbraw/zinc/68/01/39/433680139.db2.gz SAMNKMAQQGOQAP-UHFFFAOYSA-N 1 0 320.396 3.027 10 0 DGAERO Cc1cc(N[C@H]2CCN(C(=O)C(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000301706531 433687392 /nfs/dbraw/zinc/68/73/92/433687392.db2.gz ILJPYBIDFXZOMJ-AWEZNQCLSA-N 1 0 315.392 3.351 10 0 DGAERO c1ccc(COc2ccnc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000367013383 293013337 /nfs/dbraw/zinc/01/33/37/293013337.db2.gz NEJMJLAPGKBONH-IAGOWNOFSA-N 1 0 324.428 3.094 10 0 DGAERO CCC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cccnc1 ZINC000367243605 293043133 /nfs/dbraw/zinc/04/31/33/293043133.db2.gz AUEWLRAVISUSJA-OKZBNKHCSA-N 1 0 318.461 3.080 10 0 DGAERO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000367247249 293043472 /nfs/dbraw/zinc/04/34/72/293043472.db2.gz SVPFKIFTXDNESG-ILXRZTDVSA-N 1 0 315.523 3.064 10 0 DGAERO CC(C)[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000367382309 293065190 /nfs/dbraw/zinc/06/51/90/293065190.db2.gz SELKTOFOGRVQSY-HRCADAONSA-N 1 0 311.491 3.433 10 0 DGAERO COc1cccc(C2=CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000362399648 433694746 /nfs/dbraw/zinc/69/47/46/433694746.db2.gz BQBSBOFKOCRSNM-SFHVURJKSA-N 1 0 300.446 3.269 10 0 DGAERO c1cn(-c2ncccc2C[NH2+]Cc2ccc3occc3c2)cn1 ZINC000367522971 293083059 /nfs/dbraw/zinc/08/30/59/293083059.db2.gz KYOITDZWVQTURN-UHFFFAOYSA-N 1 0 304.353 3.303 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000368173215 293099707 /nfs/dbraw/zinc/09/97/07/293099707.db2.gz KAJCSRIQCPELEL-KRWDZBQOSA-N 1 0 311.429 3.325 10 0 DGAERO Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000368325884 293115897 /nfs/dbraw/zinc/11/58/97/293115897.db2.gz DBFGWMCUIREYPU-IBGZPJMESA-N 1 0 321.424 3.055 10 0 DGAERO Cc1ccnc(C2CC[NH+](CCC(=O)c3ccccc3)CC2)n1 ZINC000370374108 293171720 /nfs/dbraw/zinc/17/17/20/293171720.db2.gz KJDQTIHICLSFPR-UHFFFAOYSA-N 1 0 309.413 3.237 10 0 DGAERO Cc1nc(C2(NCC[NH+]3CCC(C)CC3)CCCCCC2)no1 ZINC000493529997 293251540 /nfs/dbraw/zinc/25/15/40/293251540.db2.gz RSODJKSLMBZVTG-UHFFFAOYSA-N 1 0 320.481 3.249 10 0 DGAERO Cc1ccc([C@H]2C[C@@H](C)CCN2CC(=O)NCc2ccco2)o1 ZINC000362433725 433710059 /nfs/dbraw/zinc/71/00/59/433710059.db2.gz HPDPQRGKVDLLAJ-XJKSGUPXSA-N 1 0 316.401 3.270 10 0 DGAERO Cn1ccnc1[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)C1CC1 ZINC000373544229 293288433 /nfs/dbraw/zinc/28/84/33/293288433.db2.gz BODYHRLFPXNINQ-LJQANCHMSA-N 1 0 324.472 3.377 10 0 DGAERO OC[C@@H]1CCCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000374050350 293346937 /nfs/dbraw/zinc/34/69/37/293346937.db2.gz MWERHPGJJYNYGH-SNVBAGLBSA-N 1 0 304.253 3.105 10 0 DGAERO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000376353419 433718820 /nfs/dbraw/zinc/71/88/20/433718820.db2.gz QOQAXLWDXLAGQG-FQEVSTJZSA-N 1 0 319.408 3.378 10 0 DGAERO c1csc(-c2cnc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)o2)c1 ZINC000362455784 433726965 /nfs/dbraw/zinc/72/69/65/433726965.db2.gz TYRYDWUYXCPADN-QWHCGFSZSA-N 1 0 304.415 3.404 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)[nH]n1 ZINC000449195923 433728301 /nfs/dbraw/zinc/72/83/01/433728301.db2.gz WZKZPGXPDRIMPP-AMIZOPFISA-N 1 0 309.335 3.344 10 0 DGAERO c1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCCOC3)OCCCCO2 ZINC000449311325 433738308 /nfs/dbraw/zinc/73/83/08/433738308.db2.gz LHNMNWMYGYQZSI-LJQANCHMSA-N 1 0 317.429 3.241 10 0 DGAERO CS(=O)(=O)CC1CCC([NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000449370890 433739018 /nfs/dbraw/zinc/73/90/18/433739018.db2.gz OAURBQHBZWGRAF-MHVXSEJMSA-N 1 0 313.507 3.148 10 0 DGAERO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)ncn1 ZINC000301840393 433754752 /nfs/dbraw/zinc/75/47/52/433754752.db2.gz ASKRXVDKOZWQJD-ZBFHGGJFSA-N 1 0 302.809 3.296 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Br)ccc1F ZINC000376056676 293607565 /nfs/dbraw/zinc/60/75/65/293607565.db2.gz LHJPLJBVUSLZPQ-ZBPZKIAKSA-N 1 0 314.198 3.131 10 0 DGAERO Cc1c[nH]cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000357217851 433912109 /nfs/dbraw/zinc/91/21/09/433912109.db2.gz GYHAOYXLABTOEH-CZUORRHYSA-N 1 0 317.458 3.198 10 0 DGAERO OCCOc1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000436242144 433915177 /nfs/dbraw/zinc/91/51/77/433915177.db2.gz SULMTWIXOIQPSJ-OALUTQOASA-N 1 0 311.425 3.484 10 0 DGAERO c1cc(-c2nc(CN3CC[NH+]4CCC3CC4)cs2)cs1 ZINC000377627275 293687051 /nfs/dbraw/zinc/68/70/51/293687051.db2.gz OKCWSNRCJKFCRT-UHFFFAOYSA-N 1 0 305.472 3.152 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CCC3(CC[NH2+]3)CC2)c1C ZINC000422636288 433936165 /nfs/dbraw/zinc/93/61/65/433936165.db2.gz MUDNXCYLDQNIRN-UHFFFAOYSA-N 1 0 300.446 3.142 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccsn2)[C@@H]1c1cccs1 ZINC000449936531 433878909 /nfs/dbraw/zinc/87/89/09/433878909.db2.gz WLGQTMOATLMRLS-BXUZGUMPSA-N 1 0 321.471 3.018 10 0 DGAERO COC(C)(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000377466152 433884949 /nfs/dbraw/zinc/88/49/49/433884949.db2.gz WEJMNQUQFCHHSB-XJKSGUPXSA-N 1 0 324.490 3.062 10 0 DGAERO COC(C)(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000377466149 433885966 /nfs/dbraw/zinc/88/59/66/433885966.db2.gz WEJMNQUQFCHHSB-BBRMVZONSA-N 1 0 324.490 3.062 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@H]2CCCCC2(F)F)CC1 ZINC000449953158 433890628 /nfs/dbraw/zinc/89/06/28/433890628.db2.gz XYYXCZHTEYWORZ-CQSZACIVSA-N 1 0 302.409 3.050 10 0 DGAERO CC[NH2+]Cc1ccccc1NCc1ccc(N2CCCC2)nc1 ZINC000414865159 433893330 /nfs/dbraw/zinc/89/33/30/433893330.db2.gz KGUVVHKLAYZUAV-UHFFFAOYSA-N 1 0 310.445 3.403 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1cccc(F)c1 ZINC000378219061 293764474 /nfs/dbraw/zinc/76/44/74/293764474.db2.gz AEGMSPWRBMAEOZ-SPRNKHAWSA-N 1 0 316.420 3.220 10 0 DGAERO CC(C)[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C[C@@H](C)O ZINC000303974823 433977998 /nfs/dbraw/zinc/97/79/98/433977998.db2.gz BAGLIXUASCUZHN-SNVBAGLBSA-N 1 0 319.232 3.023 10 0 DGAERO CCOCCC1(C(=O)NCCC2CC[NH+](CC)CC2)CCCC1 ZINC000357277725 433936660 /nfs/dbraw/zinc/93/66/60/433936660.db2.gz ZSINYTNNVNSTPK-UHFFFAOYSA-N 1 0 324.509 3.212 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377811184 434004756 /nfs/dbraw/zinc/00/47/56/434004756.db2.gz JXWISTIPZYLKAQ-VSOYFRJCSA-N 1 0 316.420 3.077 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1c(F)cccc1Br ZINC000394853708 293835475 /nfs/dbraw/zinc/83/54/75/293835475.db2.gz VDVCLWMPTQSLJP-LBPRGKRZSA-N 1 0 302.187 3.245 10 0 DGAERO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)O1 ZINC000398059670 293851485 /nfs/dbraw/zinc/85/14/85/293851485.db2.gz FMXUCLWGMWBVBF-GXSJLCMTSA-N 1 0 302.187 3.245 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000357475631 434036222 /nfs/dbraw/zinc/03/62/22/434036222.db2.gz ABNXZBYJUZGYFD-IAGOWNOFSA-N 1 0 304.409 3.194 10 0 DGAERO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400550444 293864787 /nfs/dbraw/zinc/86/47/87/293864787.db2.gz XHSRQIIKIYVRCS-RFGFWPKPSA-N 1 0 314.495 3.116 10 0 DGAERO C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400501084 293864952 /nfs/dbraw/zinc/86/49/52/293864952.db2.gz IOZALHGZVNYHTF-KGLIPLIRSA-N 1 0 308.466 3.412 10 0 DGAERO CC[C@H](CSC)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400769865 293866450 /nfs/dbraw/zinc/86/64/50/293866450.db2.gz ZWYYWJKHESXJKR-MELADBBJSA-N 1 0 316.511 3.363 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)c2cc(Cl)ccc2O)CC1 ZINC000436533003 433996131 /nfs/dbraw/zinc/99/61/31/433996131.db2.gz LDOBOUUDTKLNGM-UHFFFAOYSA-N 1 0 324.852 3.240 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]1)Nc1ccccc1OCc1ccccc1 ZINC000309842923 434102958 /nfs/dbraw/zinc/10/29/58/434102958.db2.gz WXACFRPSVJPUEI-MRXNPFEDSA-N 1 0 310.397 3.346 10 0 DGAERO CC(C)C1CC([NH2+]CCCn2cc(Br)cn2)C1 ZINC000310085015 434106541 /nfs/dbraw/zinc/10/65/41/434106541.db2.gz MSXRQLWSVMDTFR-UHFFFAOYSA-N 1 0 300.244 3.060 10 0 DGAERO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CCC[C@H](O)C1 ZINC000310817334 434112501 /nfs/dbraw/zinc/11/25/01/434112501.db2.gz BBLZYFQAXZINSD-HIFRSBDPSA-N 1 0 312.251 3.432 10 0 DGAERO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CCC[C@@H](O)C1 ZINC000310817336 434112720 /nfs/dbraw/zinc/11/27/20/434112720.db2.gz BBLZYFQAXZINSD-UKRRQHHQSA-N 1 0 312.251 3.432 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H]2C)c(Br)c1 ZINC000310854240 434114374 /nfs/dbraw/zinc/11/43/74/434114374.db2.gz DLXVTZVXCHKRIO-ZANVPECISA-N 1 0 312.207 3.124 10 0 DGAERO CCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000499773692 294094465 /nfs/dbraw/zinc/09/44/65/294094465.db2.gz SYUNJNYDYUYVDT-SFHVURJKSA-N 1 0 320.452 3.481 10 0 DGAERO CCCN(CCc1cccc(F)c1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC000499773690 294094558 /nfs/dbraw/zinc/09/45/58/294094558.db2.gz SYUNJNYDYUYVDT-GOSISDBHSA-N 1 0 320.452 3.481 10 0 DGAERO Clc1cccc2[nH]c([C@@H]3CCCN3C3CC[NH2+]CC3)nc21 ZINC000038042466 294112895 /nfs/dbraw/zinc/11/28/95/294112895.db2.gz QHYQRCPTXHBVDO-AWEZNQCLSA-N 1 0 304.825 3.105 10 0 DGAERO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)s1 ZINC000313254142 434126927 /nfs/dbraw/zinc/12/69/27/434126927.db2.gz OJYGCDKZRDZYSY-SECBINFHSA-N 1 0 314.252 3.137 10 0 DGAERO c1ccc(-c2ccc(NCC[NH2+][C@@H]3CC[C@@H]3C3CCC3)nn2)cc1 ZINC000510702998 294389680 /nfs/dbraw/zinc/38/96/80/294389680.db2.gz NUWXZWLRNCRCQU-IEBWSBKVSA-N 1 0 322.456 3.146 10 0 DGAERO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510930092 294396540 /nfs/dbraw/zinc/39/65/40/294396540.db2.gz FUOBHORYDFJLHI-SUMWQHHRSA-N 1 0 322.424 3.074 10 0 DGAERO C[C@@H]1CN(CCSc2ccc(N)cc2Cl)C[C@H](C)O1 ZINC000313800628 434137157 /nfs/dbraw/zinc/13/71/57/434137157.db2.gz MEIYKYXOCSKRCZ-PHIMTYICSA-N 1 0 300.855 3.124 10 0 DGAERO Cc1ccc(Br)cc1C[N@@H+](C[C@@H](C)O)C(C)C ZINC000450385762 434144881 /nfs/dbraw/zinc/14/48/81/434144881.db2.gz DJVSNDNPHZVFDD-GFCCVEGCSA-N 1 0 300.240 3.349 10 0 DGAERO C[C@H](CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000363792698 434151446 /nfs/dbraw/zinc/15/14/46/434151446.db2.gz XHFRJYIZVUMXSK-NXHRZFHOSA-N 1 0 300.446 3.265 10 0 DGAERO c1cn(C2CCCC2)nc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422991913 434153408 /nfs/dbraw/zinc/15/34/08/434153408.db2.gz QLGDHXQXJGSGCY-FGTMMUONSA-N 1 0 302.466 3.009 10 0 DGAERO c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450423290 434165881 /nfs/dbraw/zinc/16/58/81/434165881.db2.gz OLMCNEUEDIZDSZ-WUJZJPHMSA-N 1 0 310.445 3.489 10 0 DGAERO c1csc(-c2cc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084180 434160154 /nfs/dbraw/zinc/16/01/54/434160154.db2.gz KVRYVZJCRBGTGE-HIFRSBDPSA-N 1 0 317.458 3.367 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)c2)cn1 ZINC000346186549 434185755 /nfs/dbraw/zinc/18/57/55/434185755.db2.gz ZCFVDDPMYSVTIB-LSDHHAIUSA-N 1 0 317.458 3.182 10 0 DGAERO Brc1cccc(C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000286234027 434203643 /nfs/dbraw/zinc/20/36/43/434203643.db2.gz RMNQKFQKLBNDTC-OAHLLOKOSA-N 1 0 310.235 3.417 10 0 DGAERO Clc1cc(I)ccc1C[NH2+]CC1CC1 ZINC000379656622 434258061 /nfs/dbraw/zinc/25/80/61/434258061.db2.gz LMKUYCKNAJKCNT-UHFFFAOYSA-N 1 0 321.589 3.444 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000437445662 434265279 /nfs/dbraw/zinc/26/52/79/434265279.db2.gz GUDZQRRGIDCMAG-DJIMGWMZSA-N 1 0 304.409 3.062 10 0 DGAERO CC(=O)c1ccc(CN2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000295243952 434270444 /nfs/dbraw/zinc/27/04/44/434270444.db2.gz VOJHWWDQZLRAAH-UHFFFAOYSA-N 1 0 309.365 3.263 10 0 DGAERO c1ccc([C@H]2CC[C@H]([NH2+]CCCNCc3cccnc3)C2)cc1 ZINC000423188581 434273395 /nfs/dbraw/zinc/27/33/95/434273395.db2.gz OEHWEROYOHHTFG-PMACEKPBSA-N 1 0 309.457 3.487 10 0 DGAERO c1ccc(C[C@H]([NH2+]CCCNCc2cccnc2)C2CC2)cc1 ZINC000423189500 434273559 /nfs/dbraw/zinc/27/35/59/434273559.db2.gz POSKWOHENMKSPU-FQEVSTJZSA-N 1 0 309.457 3.172 10 0 DGAERO c1ccc2c(c1)SCC[C@@H]2[NH2+]CCCNCc1cccnc1 ZINC000423192387 434275357 /nfs/dbraw/zinc/27/53/57/434275357.db2.gz VCBQFBGIXKGYTD-KRWDZBQOSA-N 1 0 313.470 3.388 10 0 DGAERO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000382679074 434282162 /nfs/dbraw/zinc/28/21/62/434282162.db2.gz JYCJFOQMXIZORC-KANFNMMFSA-N 1 0 312.457 3.156 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000384297444 434290872 /nfs/dbraw/zinc/29/08/72/434290872.db2.gz XSYOMUXXKUKOPM-CMPLNLGQSA-N 1 0 315.244 3.340 10 0 DGAERO C[C@@H]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000358018637 434290938 /nfs/dbraw/zinc/29/09/38/434290938.db2.gz QIPWZVLUXRFPBC-CVEARBPZSA-N 1 0 300.446 3.448 10 0 DGAERO Brc1ccc([C@@H](NC[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423232913 434301054 /nfs/dbraw/zinc/30/10/54/434301054.db2.gz JBBITOPTBKEPKY-CABCVRRESA-N 1 0 309.251 3.242 10 0 DGAERO C[C@@H]1[C@H](CO)CC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000386219744 434307745 /nfs/dbraw/zinc/30/77/45/434307745.db2.gz FJOLJLRYJDASRV-MNOVXSKESA-N 1 0 304.217 3.075 10 0 DGAERO Cc1nc(-c2cc3c(s2)CC[N@@H+](CC[C@@H](C)O)C3)cs1 ZINC000450643340 434309764 /nfs/dbraw/zinc/30/97/64/434309764.db2.gz KDCAXFYYPPGZPS-SNVBAGLBSA-N 1 0 308.472 3.309 10 0 DGAERO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000386278129 434309756 /nfs/dbraw/zinc/30/97/56/434309756.db2.gz NMYQNGCJTMTSGM-AAEUAGOBSA-N 1 0 306.793 3.198 10 0 DGAERO CC(C)Cn1ccc2c1cccc2C(=O)N(C)CCC[NH+](C)C ZINC000517215023 294661510 /nfs/dbraw/zinc/66/15/10/294661510.db2.gz CUUARQDTIPIGEF-UHFFFAOYSA-N 1 0 315.461 3.321 10 0 DGAERO CC[C@H](O)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000358169474 434361624 /nfs/dbraw/zinc/36/16/24/434361624.db2.gz PEUOMEZDPMTQGE-WDSOQIARSA-N 1 0 304.478 3.038 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000366218805 434361831 /nfs/dbraw/zinc/36/18/31/434361831.db2.gz NEAOJYXUKPQJHV-LIRZEXBASA-N 1 0 303.446 3.419 10 0 DGAERO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000393323696 434391554 /nfs/dbraw/zinc/39/15/54/434391554.db2.gz TYJFIWOMJBBIFD-FOGDFJRCSA-N 1 0 300.244 3.097 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C12CCC2 ZINC000329198789 434369211 /nfs/dbraw/zinc/36/92/11/434369211.db2.gz VTCZFIPMACPWDJ-HGTKMLMNSA-N 1 0 308.466 3.457 10 0 DGAERO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC[C@H](C)O ZINC000450751703 434387018 /nfs/dbraw/zinc/38/70/18/434387018.db2.gz BRGPBZWZZDETJV-GXTWGEPZSA-N 1 0 314.267 3.473 10 0 DGAERO Brc1sccc1CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000388544407 434336657 /nfs/dbraw/zinc/33/66/57/434336657.db2.gz FAUHGTIRKQULPW-NWDGAFQWSA-N 1 0 315.280 3.227 10 0 DGAERO O[C@H]1CCC[C@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000388520979 434338150 /nfs/dbraw/zinc/33/81/50/434338150.db2.gz XHFWKFYEQPEOQA-ONGXEEELSA-N 1 0 304.253 3.151 10 0 DGAERO CC(C)[N@@H+]1CC[C@@H](CNCc2ccsc2Br)C1 ZINC000388822831 434338488 /nfs/dbraw/zinc/33/84/88/434338488.db2.gz KVHOHRQKNDCSLT-NSHDSACASA-N 1 0 317.296 3.331 10 0 DGAERO C[N@H+](CCNCc1ccsc1Br)C1CCCC1 ZINC000388847693 434339766 /nfs/dbraw/zinc/33/97/66/434339766.db2.gz ZZLGICQONPBCOZ-UHFFFAOYSA-N 1 0 317.296 3.475 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000389208460 434345826 /nfs/dbraw/zinc/34/58/26/434345826.db2.gz BJRWXAHLTJGENE-ABAIWWIYSA-N 1 0 309.251 3.120 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000390532421 434359103 /nfs/dbraw/zinc/35/91/03/434359103.db2.gz IYLHTWOSYUCLJN-QWHCGFSZSA-N 1 0 300.265 3.475 10 0 DGAERO Brc1cc2c(c(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)c1)OCC2 ZINC000397764122 434442877 /nfs/dbraw/zinc/44/28/77/434442877.db2.gz RJKLCSHGTBBAHG-GNXNZQSNSA-N 1 0 308.219 3.272 10 0 DGAERO C[C@@H]1CCC[C@H](CC[NH2+]Cc2c(Br)cnn2C)C1 ZINC000394074124 434397924 /nfs/dbraw/zinc/39/79/24/434397924.db2.gz XEBYCFXLWVTIHF-VXGBXAGGSA-N 1 0 314.271 3.489 10 0 DGAERO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(Cl)c(F)c1 ZINC000393705569 434399360 /nfs/dbraw/zinc/39/93/60/434399360.db2.gz QDAYJIYWPBEWKI-OVWNDWIMSA-N 1 0 303.830 3.431 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(F)cc1Br ZINC000395175237 434414024 /nfs/dbraw/zinc/41/40/24/434414024.db2.gz IWUHJOVEPHWUGH-FZMZJTMJSA-N 1 0 316.214 3.181 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cs1 ZINC000438119753 434415644 /nfs/dbraw/zinc/41/56/44/434415644.db2.gz KJTUVNBPUXBCDN-ZIAGYGMSSA-N 1 0 317.458 3.387 10 0 DGAERO Fc1ccc(Br)c(F)c1C[NH2+]CC1=CCOCC1 ZINC000397710959 434441131 /nfs/dbraw/zinc/44/11/31/434441131.db2.gz PEPNHALYYLOKIC-UHFFFAOYSA-N 1 0 318.161 3.164 10 0 DGAERO Cc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447735 434487773 /nfs/dbraw/zinc/48/77/73/434487773.db2.gz QAIXDXGJPZINCR-FZMZJTMJSA-N 1 0 323.437 3.027 10 0 DGAERO C[C@@H]([NH2+]C1CCSCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739554 434490680 /nfs/dbraw/zinc/49/06/80/434490680.db2.gz SLFPCUJEQHNGES-CHWSQXEVSA-N 1 0 314.495 3.117 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438494871 434494151 /nfs/dbraw/zinc/49/41/51/434494151.db2.gz XLQQGQPWAOCCAQ-UKRRQHHQSA-N 1 0 302.418 3.194 10 0 DGAERO C[N@@H+]1CCC[C@H](CCNC(=O)CC/C=C\c2ccccc2)C1 ZINC000458159850 434504446 /nfs/dbraw/zinc/50/44/46/434504446.db2.gz FHNIVVRKRJRGBQ-PRCIHIDRSA-N 1 0 300.446 3.328 10 0 DGAERO Cc1ccsc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329660816 434453841 /nfs/dbraw/zinc/45/38/41/434453841.db2.gz IJMOQVMVAXMWLF-NHYWBVRUSA-N 1 0 305.403 3.032 10 0 DGAERO COc1cccc2c1CC[N@H+](Cc1ccc(C(C)=O)cc1)CC2 ZINC000450874855 434456018 /nfs/dbraw/zinc/45/60/18/434456018.db2.gz MIBKHBQSJVVYLJ-UHFFFAOYSA-N 1 0 309.409 3.499 10 0 DGAERO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000404190497 434508987 /nfs/dbraw/zinc/50/89/87/434508987.db2.gz IXCYAPFGIIBAMS-HZMBPMFUSA-N 1 0 304.217 3.186 10 0 DGAERO Brc1cccc(OCC[NH2+]Cc2ccns2)c1 ZINC000404266366 434512150 /nfs/dbraw/zinc/51/21/50/434512150.db2.gz HUEMVJYZUUKFNM-UHFFFAOYSA-N 1 0 313.220 3.074 10 0 DGAERO c1c(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3CCC[C@H]32)nnn1CC1CC1 ZINC000450979119 434512353 /nfs/dbraw/zinc/51/23/53/434512353.db2.gz HMGWGXYQIGDNBB-SLFFLAALSA-N 1 0 322.456 3.456 10 0 DGAERO c1nc2c(c(NC3CC([NH+]4CCCCC4)C3)n1)CCCCC2 ZINC000360103293 434520298 /nfs/dbraw/zinc/52/02/98/434520298.db2.gz VFLRKANCYQJXPN-UHFFFAOYSA-N 1 0 300.450 3.174 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000438828601 434529524 /nfs/dbraw/zinc/52/95/24/434529524.db2.gz HPKHSKCNTBWIJO-KRWDZBQOSA-N 1 0 316.489 3.472 10 0 DGAERO C[C@H]1CCC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000407967623 434530916 /nfs/dbraw/zinc/53/09/16/434530916.db2.gz QRRLZSPVOQNPLI-ONGXEEELSA-N 1 0 303.431 3.164 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000360170180 434537733 /nfs/dbraw/zinc/53/77/33/434537733.db2.gz HRBGDGJTLSXOKT-BPQIPLTHSA-N 1 0 300.446 3.265 10 0 DGAERO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000408222024 434552205 /nfs/dbraw/zinc/55/22/05/434552205.db2.gz NPNYGFNXWZGHEZ-ILXRZTDVSA-N 1 0 310.482 3.006 10 0 DGAERO Cc1ccc(-c2noc(C[N@H+]3CC[C@H](C)C[C@@H]3[C@H](C)O)n2)cc1 ZINC000525957269 295045395 /nfs/dbraw/zinc/04/53/95/295045395.db2.gz IOSZTEMPRPXUMH-OFQRWUPVSA-N 1 0 315.417 3.026 10 0 DGAERO c1ccc([C@@H]2CC[C@@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)cc1 ZINC000527109775 295078909 /nfs/dbraw/zinc/07/89/09/295078909.db2.gz MSQBQFRKZNBIDT-IAGOWNOFSA-N 1 0 319.412 3.088 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527735703 295122886 /nfs/dbraw/zinc/12/28/86/295122886.db2.gz CBBNPSLLOUACKO-ZDUSSCGKSA-N 1 0 303.431 3.111 10 0 DGAERO c1cc(C[NH2+]CC[C@H]2CCCOC2)n(CCc2ccccc2)n1 ZINC000527735568 295122988 /nfs/dbraw/zinc/12/29/88/295122988.db2.gz DUSBHRWBZSGNNQ-GOSISDBHSA-N 1 0 313.445 3.032 10 0 DGAERO c1cnn(-c2ccc(C[NH2+]C[C@H]3CCN3C3CCCCC3)cc2)c1 ZINC000527750855 295125291 /nfs/dbraw/zinc/12/52/91/295125291.db2.gz GCXRXHYDDXLLAS-HXUWFJFHSA-N 1 0 324.472 3.369 10 0 DGAERO c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000527805878 295134106 /nfs/dbraw/zinc/13/41/06/295134106.db2.gz IUFFOZPKIQRWBN-HNNXBMFYSA-N 1 0 316.474 3.245 10 0 DGAERO c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527808045 295134309 /nfs/dbraw/zinc/13/43/09/295134309.db2.gz PIPBIWFDGQXRIG-WBVHZDCISA-N 1 0 300.446 3.159 10 0 DGAERO Brc1cccnc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528213468 295187327 /nfs/dbraw/zinc/18/73/27/295187327.db2.gz YXXRYNQGQHXTNY-GFCCVEGCSA-N 1 0 310.239 3.273 10 0 DGAERO Brc1cccnc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528213472 295187467 /nfs/dbraw/zinc/18/74/67/295187467.db2.gz YXXRYNQGQHXTNY-LBPRGKRZSA-N 1 0 310.239 3.273 10 0 DGAERO [NH3+]CC1(CC(=O)N2CCCC[C@@H]2c2nccs2)CCCCC1 ZINC000184231943 295221632 /nfs/dbraw/zinc/22/16/32/295221632.db2.gz QQACMDUJBSCBBF-CQSZACIVSA-N 1 0 321.490 3.496 10 0 DGAERO c1cc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)on1 ZINC000528577424 295227989 /nfs/dbraw/zinc/22/79/89/295227989.db2.gz ISQYMIGFZPVPOU-UHFFFAOYSA-N 1 0 316.405 3.170 10 0 DGAERO C[C@H]1CN(C(=O)CCCSc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000423955552 434588375 /nfs/dbraw/zinc/58/83/75/434588375.db2.gz OYWVCEUKLDSSQF-SMDDNHRTSA-N 1 0 312.866 3.018 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1COc1ccccc1 ZINC000238004461 295255490 /nfs/dbraw/zinc/25/54/90/295255490.db2.gz KPPWUNGVSUQOOE-KXBFYZLASA-N 1 0 324.424 3.123 10 0 DGAERO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCCC12CCC2 ZINC000444778272 295398186 /nfs/dbraw/zinc/39/81/86/295398186.db2.gz VQWMHUXGYGVYLM-HNNXBMFYSA-N 1 0 316.445 3.233 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1oc2ccccc2c1C ZINC000360532791 434631647 /nfs/dbraw/zinc/63/16/47/434631647.db2.gz LZNAPVONAPZMEX-ZDUSSCGKSA-N 1 0 317.433 3.271 10 0 DGAERO COCCC1(C)C[NH+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000459634416 434642553 /nfs/dbraw/zinc/64/25/53/434642553.db2.gz MXXDKSFHKIHESZ-UHFFFAOYSA-N 1 0 313.445 3.254 10 0 DGAERO c1ccc([C@H]2CC[C@H](C[NH2+]C3CCN(C4CC4)CC3)O2)cc1 ZINC000459564255 434610102 /nfs/dbraw/zinc/61/01/02/434610102.db2.gz FHDIJOJVJPZWCU-RTBURBONSA-N 1 0 300.446 3.123 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCCS(C)(=O)=O ZINC000424175578 434646353 /nfs/dbraw/zinc/64/63/53/434646353.db2.gz VHYFNRVPHWIZLA-ACCUITESSA-N 1 0 315.866 3.158 10 0 DGAERO O=C(CC[NH+]1CCC(C2CCOCC2)CC1)c1ccccc1 ZINC000360736124 434680306 /nfs/dbraw/zinc/68/03/06/434680306.db2.gz FTPFGYCQRCOCMR-UHFFFAOYSA-N 1 0 301.430 3.398 10 0 DGAERO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]([C@@H]3CCOC3)C1)OCCO2 ZINC000360966243 434746633 /nfs/dbraw/zinc/74/66/33/434746633.db2.gz MSCWKMNJPVVPJL-GVDBMIGSSA-N 1 0 317.429 3.143 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000459771392 434714039 /nfs/dbraw/zinc/71/40/39/434714039.db2.gz NKJAJDSYCJLPDZ-ZDUSSCGKSA-N 1 0 323.433 3.113 10 0 DGAERO Cc1ccnc(C2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)n1 ZINC000371887714 434766228 /nfs/dbraw/zinc/76/62/28/434766228.db2.gz IZTIRQYITHLHPQ-UHFFFAOYSA-N 1 0 307.401 3.041 10 0 DGAERO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000460366953 434755804 /nfs/dbraw/zinc/75/58/04/434755804.db2.gz UFPMACMMBGWGSN-RKDXNWHRSA-N 1 0 320.252 3.188 10 0 DGAERO CCCCc1ccc(-n2nnnc2SC[C@@H](C)[NH+](C)C)cc1 ZINC000460453456 434758877 /nfs/dbraw/zinc/75/88/77/434758877.db2.gz WBWVWDVNJWASFN-CYBMUJFWSA-N 1 0 319.478 3.047 10 0 DGAERO c1ccc2c(c1)CO[C@@]21CCC[N@@H+](CCOCC2CCC2)C1 ZINC000419266430 434761741 /nfs/dbraw/zinc/76/17/41/434761741.db2.gz GXYHLINZMQSZLR-LJQANCHMSA-N 1 0 301.430 3.325 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)N1CCCC12CCC2)C1CCCCC1 ZINC000444843994 434790064 /nfs/dbraw/zinc/79/00/64/434790064.db2.gz CNXDGVKCRJZFRN-MRXNPFEDSA-N 1 0 307.482 3.225 10 0 DGAERO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3ccccc3n1)CO2 ZINC000453074883 434793915 /nfs/dbraw/zinc/79/39/15/434793915.db2.gz KERPMDQUOODYII-QGZVFWFLSA-N 1 0 320.392 3.337 10 0 DGAERO COC[C@H]1CCCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000372097512 434797594 /nfs/dbraw/zinc/79/75/94/434797594.db2.gz ZXNAQHPROBUYNE-SFHVURJKSA-N 1 0 313.445 3.180 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@@H](C)Sc2ccccc2)CCOCC1 ZINC000453121806 434807774 /nfs/dbraw/zinc/80/77/74/434807774.db2.gz PIYVXNWBSSDKHX-CABCVRRESA-N 1 0 309.475 3.341 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2ccc(C)cc2OC(C)C)CCOCC1 ZINC000453136223 434811887 /nfs/dbraw/zinc/81/18/87/434811887.db2.gz UIJLINSYQQIBBP-MRXNPFEDSA-N 1 0 321.461 3.456 10 0 DGAERO CCOc1cccc(CC[NH2+][C@H](Cn2cccn2)C(C)C)c1 ZINC000453156943 434818242 /nfs/dbraw/zinc/81/82/42/434818242.db2.gz FEEZKQHXPPZIGX-GOSISDBHSA-N 1 0 301.434 3.139 10 0 DGAERO c1ncc(CC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 ZINC000411700481 434819498 /nfs/dbraw/zinc/81/94/98/434819498.db2.gz ZVPUSTJNWAGAQS-CQSZACIVSA-N 1 0 316.474 3.098 10 0 DGAERO CC(C)[C@H](Cn1cccn1)[NH2+]CCOCc1ccc(Cl)cc1 ZINC000453167958 434821126 /nfs/dbraw/zinc/82/11/26/434821126.db2.gz JMCLBPNEIVFEJP-KRWDZBQOSA-N 1 0 321.852 3.368 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cn(C)nc1C(F)F ZINC000361186945 434825202 /nfs/dbraw/zinc/82/52/02/434825202.db2.gz NAGFRYXPKIDRCQ-LLVKDONJSA-N 1 0 309.360 3.126 10 0 DGAERO c1ncn(Cc2ccccc2)c1CN1CCOCC12CCCC2 ZINC000445820071 434828607 /nfs/dbraw/zinc/82/86/07/434828607.db2.gz SSJRBWOGZQHLDR-UHFFFAOYSA-N 1 0 311.429 3.076 10 0 DGAERO CCCCCn1nc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000361203212 434830342 /nfs/dbraw/zinc/83/03/42/434830342.db2.gz CCRNBQLUXMRLHM-HNNXBMFYSA-N 1 0 306.454 3.195 10 0 DGAERO COc1c2ccccc2oc1C[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453223512 434832520 /nfs/dbraw/zinc/83/25/20/434832520.db2.gz WEXJBLGWUWBHHS-ZDUSSCGKSA-N 1 0 319.401 3.115 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000411875195 434840264 /nfs/dbraw/zinc/84/02/64/434840264.db2.gz OAMMDYOGKGCZIK-LJQANCHMSA-N 1 0 303.446 3.137 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CCCOC3)CC23CC3)cc1 ZINC000573205996 434880548 /nfs/dbraw/zinc/88/05/48/434880548.db2.gz MUWIZEWRAUNQQF-RBUKOAKNSA-N 1 0 314.473 3.200 10 0 DGAERO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000461801270 434889255 /nfs/dbraw/zinc/88/92/55/434889255.db2.gz LRXNWIQEERUCLC-AVGNSLFASA-N 1 0 323.403 3.089 10 0 DGAERO C[C@H](NC(=O)CCC1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000637884848 434899028 /nfs/dbraw/zinc/89/90/28/434899028.db2.gz TZCYPNUNDNAVNR-VIFPVBQESA-N 1 0 301.217 3.170 10 0 DGAERO Cc1cccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000573536759 434906296 /nfs/dbraw/zinc/90/62/96/434906296.db2.gz MIQAJZFNHZXWFG-HNNXBMFYSA-N 1 0 304.434 3.334 10 0 DGAERO c1ccc(N2CCO[C@@H](C[NH2+][C@H](c3cccnc3)C3CC3)C2)cc1 ZINC000573016677 434868123 /nfs/dbraw/zinc/86/81/23/434868123.db2.gz YNGVBITULYNTBK-PMACEKPBSA-N 1 0 323.440 3.028 10 0 DGAERO c1ccc2c(c1)CC[C@H](Nc1cc(N3CCCCC3)ncn1)C2 ZINC000521060832 434869578 /nfs/dbraw/zinc/86/95/78/434869578.db2.gz LZCQKIUPDUQVIY-KRWDZBQOSA-N 1 0 308.429 3.436 10 0 DGAERO c1ccc(COC2CC([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)C2)cc1 ZINC000491863205 434871545 /nfs/dbraw/zinc/87/15/45/434871545.db2.gz DSWNBAGTYIDJGV-CPLYBDICSA-N 1 0 301.430 3.281 10 0 DGAERO Fc1ccc(OCC[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000523438828 434948389 /nfs/dbraw/zinc/94/83/89/434948389.db2.gz RWXDIBMILPPNDZ-CQSZACIVSA-N 1 0 321.314 3.248 10 0 DGAERO c1csc([C@@H](C[NH2+][C@@H]2CCCC23CC3)N2CCOCC2)c1 ZINC000573743055 434922559 /nfs/dbraw/zinc/92/25/59/434922559.db2.gz FACHHUWVKUGANR-GDBMZVCRSA-N 1 0 306.475 3.044 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCc2cscn2)cc1 ZINC000462784599 434927411 /nfs/dbraw/zinc/92/74/11/434927411.db2.gz HZUFLERYOQTGSL-UHFFFAOYSA-N 1 0 318.442 3.431 10 0 DGAERO CC[C@](C)(CCO)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462786656 434927727 /nfs/dbraw/zinc/92/77/27/434927727.db2.gz ZUQDACDQJDAELX-GOSISDBHSA-N 1 0 307.434 3.283 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000462796878 434930363 /nfs/dbraw/zinc/93/03/63/434930363.db2.gz YKOUFLIQUQFRQS-INIZCTEOSA-N 1 0 305.418 3.301 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1 ZINC000462799140 434930403 /nfs/dbraw/zinc/93/04/03/434930403.db2.gz RJEVQDIUMHPEEY-GOSISDBHSA-N 1 0 305.418 3.158 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000464734185 434996172 /nfs/dbraw/zinc/99/61/72/434996172.db2.gz QVEUEAUMJDTNQX-LBPRGKRZSA-N 1 0 313.850 3.317 10 0 DGAERO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)C(C)(C)C ZINC000556122981 434996471 /nfs/dbraw/zinc/99/64/71/434996471.db2.gz HRMKSYLLBHABDZ-ZDUSSCGKSA-N 1 0 305.340 3.424 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC2(C)C)[C@@H]1c1cccs1 ZINC000531106647 435072468 /nfs/dbraw/zinc/07/24/68/435072468.db2.gz MYTLCTBHEQGBJG-UKRRQHHQSA-N 1 0 321.490 3.325 10 0 DGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC3(C2)CCCCC3)C1 ZINC000531246055 435081128 /nfs/dbraw/zinc/08/11/28/435081128.db2.gz CNKQHSVYSATSNT-INIZCTEOSA-N 1 0 307.482 3.083 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NCCC2CCCCC2)CC1 ZINC000465538444 435034331 /nfs/dbraw/zinc/03/43/31/435034331.db2.gz FSXLAAUCYQJREW-UHFFFAOYSA-N 1 0 309.498 3.378 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC2(C1)CCCCC2 ZINC000465885841 435049208 /nfs/dbraw/zinc/04/92/08/435049208.db2.gz DDXFDOFGMYSYKN-MRXNPFEDSA-N 1 0 307.482 3.227 10 0 DGAERO CCCC[N@H+](C)CCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000465926255 435052150 /nfs/dbraw/zinc/05/21/50/435052150.db2.gz PHFLQIBOFURRLH-CVEARBPZSA-N 1 0 321.465 3.494 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@H](CO)CC2CCCC2)cc1 ZINC000467459030 435121599 /nfs/dbraw/zinc/12/15/99/435121599.db2.gz ZDRFWHRQSZFWHW-CRAIPNDOSA-N 1 0 305.462 3.405 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531868875 435123441 /nfs/dbraw/zinc/12/34/41/435123441.db2.gz OLTCSBLKLCROHQ-CQSZACIVSA-N 1 0 320.433 3.034 10 0 DGAERO Cc1ncsc1CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531868937 435123576 /nfs/dbraw/zinc/12/35/76/435123576.db2.gz SJTAERPOMHSERU-CQSZACIVSA-N 1 0 324.490 3.438 10 0 DGAERO CC(C)[C@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[NH+]1CCC(C)CC1 ZINC000468442421 435126928 /nfs/dbraw/zinc/12/69/28/435126928.db2.gz BSVVYEXJKFLPOK-XWTMOSNGSA-N 1 0 306.494 3.295 10 0 DGAERO c1c2cccnc2oc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000560098692 435150326 /nfs/dbraw/zinc/15/03/26/435150326.db2.gz UEPQEGFLKYDHBW-AWEZNQCLSA-N 1 0 323.400 3.203 10 0 DGAERO CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C)C1CCCC1 ZINC000470930510 435136623 /nfs/dbraw/zinc/13/66/23/435136623.db2.gz IXGGXLMFSCRTSB-GXTWGEPZSA-N 1 0 320.399 3.439 10 0 DGAERO C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532647367 435183812 /nfs/dbraw/zinc/18/38/12/435183812.db2.gz HUELUFJINOIEOM-IRXDYDNUSA-N 1 0 324.509 3.305 10 0 DGAERO Cc1csc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)n1 ZINC000532918098 435198781 /nfs/dbraw/zinc/19/87/81/435198781.db2.gz ZMSVYCHEBMUNCE-FPMFFAJLSA-N 1 0 307.463 3.291 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000475510094 435201542 /nfs/dbraw/zinc/20/15/42/435201542.db2.gz UDMMWJZPPAZCMP-KRWDZBQOSA-N 1 0 319.445 3.283 10 0 DGAERO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]CCc1ccccc1 ZINC000560175728 435151119 /nfs/dbraw/zinc/15/11/19/435151119.db2.gz VMLBWQJXHOLQJX-LPHOPBHVSA-N 1 0 311.425 3.239 10 0 DGAERO Cc1ccccc1-n1nccc1C[NH2+]CCc1ccccc1O ZINC000474623112 435154493 /nfs/dbraw/zinc/15/44/93/435154493.db2.gz ZLGNDXALSSCUBP-UHFFFAOYSA-N 1 0 307.397 3.219 10 0 DGAERO Cc1nc(C(C)C)sc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000560325581 435159793 /nfs/dbraw/zinc/15/97/93/435159793.db2.gz LEZIRYYCVOIPGE-GFCCVEGCSA-N 1 0 321.490 3.131 10 0 DGAERO CC1CC[NH+](CCN2CCC[C@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC000533483720 435241449 /nfs/dbraw/zinc/24/14/49/435241449.db2.gz GPHWHTHZQDHGEH-QGZVFWFLSA-N 1 0 324.509 3.162 10 0 DGAERO C[C@@H]([NH2+]C1CC(F)(F)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496759816 435250995 /nfs/dbraw/zinc/25/09/95/435250995.db2.gz RCOXZJGWTCUQQL-GHMZBOCLSA-N 1 0 304.381 3.019 10 0 DGAERO c1ccc(-c2nc(-c3cccnc3)no2)c(CC2CC[NH2+]CC2)c1 ZINC000584160109 435278735 /nfs/dbraw/zinc/27/87/35/435278735.db2.gz QSLJCNMROXQMBS-UHFFFAOYSA-N 1 0 320.396 3.341 10 0 DGAERO O=C(C[N@@H+]1CCCC12CCCCC2)Nc1ccc2c(c1)OCO2 ZINC000534667464 435296679 /nfs/dbraw/zinc/29/66/79/435296679.db2.gz PDGWQILNZKTMOE-UHFFFAOYSA-N 1 0 316.401 3.153 10 0 DGAERO C([C@@H]1CCCCO1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000567301310 435304465 /nfs/dbraw/zinc/30/44/65/435304465.db2.gz WPBDMIGRADJLJN-GJZGRUSLSA-N 1 0 305.422 3.433 10 0 DGAERO C[C@@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)C1CC1 ZINC000478591962 435304871 /nfs/dbraw/zinc/30/48/71/435304871.db2.gz IQZWCQJVVQGWJN-HZPDHXFCSA-N 1 0 321.509 3.471 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CC2(C)C)CC1 ZINC000479429093 435331945 /nfs/dbraw/zinc/33/19/45/435331945.db2.gz HYOZPCUFRRXAFR-WBVHZDCISA-N 1 0 321.509 3.471 10 0 DGAERO C[C@@H]1C[C@@H]1CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479434077 435332023 /nfs/dbraw/zinc/33/20/23/435332023.db2.gz BVXRAHFPXDNFRP-SOLBZPMBSA-N 1 0 321.509 3.329 10 0 DGAERO CC[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000479467483 435333018 /nfs/dbraw/zinc/33/30/18/435333018.db2.gz PIOABMOQEDBKBF-IEBWSBKVSA-N 1 0 302.462 3.308 10 0 DGAERO c1ccc2c(C[NH2+]CCc3cnc(C4CC4)nc3)ccnc2c1 ZINC000535959736 435365112 /nfs/dbraw/zinc/36/51/12/435365112.db2.gz MZGIXYLITRRFPV-UHFFFAOYSA-N 1 0 304.397 3.235 10 0 DGAERO O=C(C[NH2+]C/C=C/c1ccc(F)c(F)c1)NC1CCCCC1 ZINC000512020849 435340624 /nfs/dbraw/zinc/34/06/24/435340624.db2.gz AHSXNAUAZPVTNY-SNAWJCMRSA-N 1 0 308.372 3.017 10 0 DGAERO CC[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(N3CCOCC3)n2)C1 ZINC000479603524 435342588 /nfs/dbraw/zinc/34/25/88/435342588.db2.gz QZUGJUIONHBRLB-DLBZAZTESA-N 1 0 317.477 3.224 10 0 DGAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000643590019 435352810 /nfs/dbraw/zinc/35/28/10/435352810.db2.gz PJZGNFLRJUHWJG-GMSGAONNSA-N 1 0 312.797 3.256 10 0 DGAERO C[C@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)C[C@@H]1[NH3+] ZINC000643600692 435353253 /nfs/dbraw/zinc/35/32/53/435353253.db2.gz UNZAEHWCEPSFQR-XVKPBYJWSA-N 1 0 312.797 3.113 10 0 DGAERO CCCOc1ccc(C[N@H+](C)C2CCOCC2)cc1OCC ZINC000535804319 435353499 /nfs/dbraw/zinc/35/34/99/435353499.db2.gz MWJAENGVEFHVAW-UHFFFAOYSA-N 1 0 307.434 3.485 10 0 DGAERO COC[C@@H](CC(C)C)[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000536875428 435414880 /nfs/dbraw/zinc/41/48/80/435414880.db2.gz IFEFJLAUGLUDPJ-GOEBONIOSA-N 1 0 309.450 3.286 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)NCCCC1CC1)c1ccc(Cl)cc1 ZINC000567920099 435370879 /nfs/dbraw/zinc/37/08/79/435370879.db2.gz DSKOTLQXAXZJCS-INIZCTEOSA-N 1 0 323.868 3.432 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCN1CCOC[C@H]1C ZINC000513521720 435391947 /nfs/dbraw/zinc/39/19/47/435391947.db2.gz ZNVUZNROWNEMQY-ATGUSINASA-N 1 0 308.853 3.054 10 0 DGAERO CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)C1CCCCC1 ZINC000480755738 435394157 /nfs/dbraw/zinc/39/41/57/435394157.db2.gz HVJSPUVWLKKKLN-SFHVURJKSA-N 1 0 317.477 3.367 10 0 DGAERO CCCCOc1ccc(C[N@H+](C)C2CCOCC2)cc1OC ZINC000536648761 435399401 /nfs/dbraw/zinc/39/94/01/435399401.db2.gz NVZRXOKTKAUTSE-UHFFFAOYSA-N 1 0 307.434 3.485 10 0 DGAERO C[C@H](CCc1ccc(F)cc1F)[NH2+]CC(=O)NC1CCCCC1 ZINC000513712631 435399470 /nfs/dbraw/zinc/39/94/70/435399470.db2.gz DTAZAOLUVQXSCK-CYBMUJFWSA-N 1 0 324.415 3.324 10 0 DGAERO CN(CC1CC1)C(=O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000481838966 435445157 /nfs/dbraw/zinc/44/51/57/435445157.db2.gz RPYWSPNKOBMQQQ-UHFFFAOYSA-N 1 0 320.864 3.388 10 0 DGAERO O=C(NCCCC1CC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000568681500 435460646 /nfs/dbraw/zinc/46/06/46/435460646.db2.gz KTSYBMGKWMXOIF-UHFFFAOYSA-N 1 0 321.509 3.474 10 0 DGAERO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CC[C@@H](C)OCc1ccccc1 ZINC000515267262 435471355 /nfs/dbraw/zinc/47/13/55/435471355.db2.gz QDKWLSLWDRMPRD-AEFFLSMTSA-N 1 0 319.445 3.398 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)CN1Cc1ccccc1 ZINC000514834020 435440592 /nfs/dbraw/zinc/44/05/92/435440592.db2.gz WXYWSXANKXZLEH-APWZRJJASA-N 1 0 302.462 3.056 10 0 DGAERO c1ncn(Cc2ccccc2)c1CSCC1CC[NH2+]CC1 ZINC000568508324 435443154 /nfs/dbraw/zinc/44/31/54/435443154.db2.gz ZJFCCLMXCORMHW-UHFFFAOYSA-N 1 0 301.459 3.164 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCc1ccncc1C)CC2 ZINC000515838358 435505463 /nfs/dbraw/zinc/50/54/63/435505463.db2.gz ULGPSUURQIOWFQ-UHFFFAOYSA-N 1 0 308.425 3.236 10 0 DGAERO CCC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000483285796 435507904 /nfs/dbraw/zinc/50/79/04/435507904.db2.gz ZJXHUVXJSIQQLE-HZPDHXFCSA-N 1 0 322.497 3.449 10 0 DGAERO O[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000644669897 435482627 /nfs/dbraw/zinc/48/26/27/435482627.db2.gz SLQLBJMCWDYLEJ-RYUDHWBXSA-N 1 0 318.642 3.496 10 0 DGAERO CCCCc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)NCC)C2)cc1 ZINC000539059149 435535756 /nfs/dbraw/zinc/53/57/56/435535756.db2.gz NZKJIWHCJVQDAF-MAUKXSAKSA-N 1 0 317.477 3.484 10 0 DGAERO C[C@@H](CCc1ccccc1)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000538306625 435492107 /nfs/dbraw/zinc/49/21/07/435492107.db2.gz YUZJWJRUDMHNBX-SFHVURJKSA-N 1 0 324.472 3.258 10 0 DGAERO CC(C)Cn1cc(C(=O)N(C)CCC[NH+](C)C)c2ccccc21 ZINC000539416847 435553035 /nfs/dbraw/zinc/55/30/35/435553035.db2.gz ZDLSGHUVYULEJO-UHFFFAOYSA-N 1 0 315.461 3.321 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2sc3cc(F)ccc3c2C)C1 ZINC000485137546 435559921 /nfs/dbraw/zinc/55/99/21/435559921.db2.gz GTPLVAZQBXYWHZ-LBPRGKRZSA-N 1 0 320.433 3.420 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000569927639 435573185 /nfs/dbraw/zinc/57/31/85/435573185.db2.gz FDULIFMYMNTOLT-FQEVSTJZSA-N 1 0 314.473 3.390 10 0 DGAERO COc1ccc([C@H](CN(C)C)[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000517104406 435575440 /nfs/dbraw/zinc/57/54/40/435575440.db2.gz JYMAIXHXIZLQEM-FHWLQOOXSA-N 1 0 302.462 3.466 10 0 DGAERO c1ccc([C@H](CC2CC2)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000540163465 435590068 /nfs/dbraw/zinc/59/00/68/435590068.db2.gz FYLAETFSDZLXSY-FHWLQOOXSA-N 1 0 301.430 3.456 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C(C)C)C1 ZINC000539216697 435541860 /nfs/dbraw/zinc/54/18/60/435541860.db2.gz GWXHNIBJJNOPEK-HOTGVXAUSA-N 1 0 323.868 3.431 10 0 DGAERO CC[N@H+](CCC1CCN(C(=O)NC[C@H]2C[C@@H]2C)CC1)CC(C)C ZINC000539172995 435542953 /nfs/dbraw/zinc/54/29/53/435542953.db2.gz NWCAXVBDZSLRDW-FUHWJXTLSA-N 1 0 323.525 3.432 10 0 DGAERO c1ccc(-c2ncc(C[NH2+]CCCC3CCOCC3)cn2)cc1 ZINC000517680074 435606187 /nfs/dbraw/zinc/60/61/87/435606187.db2.gz KIXHQJVYUDALMF-UHFFFAOYSA-N 1 0 311.429 3.440 10 0 DGAERO C[C@H](C[NH2+]Cc1ncc(-c2ccccc2)s1)Cn1cccn1 ZINC000570700002 435644327 /nfs/dbraw/zinc/64/43/27/435644327.db2.gz CSJYENRFDJAGQU-CQSZACIVSA-N 1 0 312.442 3.433 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000570840232 435656552 /nfs/dbraw/zinc/65/65/52/435656552.db2.gz YNGKHUDBQHSSKW-IBGZPJMESA-N 1 0 307.441 3.324 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000547982515 435659271 /nfs/dbraw/zinc/65/92/71/435659271.db2.gz NIWRXPTUWNKFSX-UHFFFAOYSA-N 1 0 322.758 3.383 10 0 DGAERO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC000551724846 435849819 /nfs/dbraw/zinc/84/98/19/435849819.db2.gz WQAMLUBYLNTFIE-CVEARBPZSA-N 1 0 313.401 3.188 10 0 DGAERO c1cnc2c(c1)cccc2C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551795960 435853675 /nfs/dbraw/zinc/85/36/75/435853675.db2.gz GWJCZAMPWOZOTN-INIZCTEOSA-N 1 0 320.396 3.485 10 0 DGAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1c(Cl)cccc1Cl ZINC000647959337 436158208 /nfs/dbraw/zinc/15/82/08/436158208.db2.gz LLEMYIFPDLXPKQ-SNVBAGLBSA-N 1 0 301.217 3.142 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000262322093 301755333 /nfs/dbraw/zinc/75/53/33/301755333.db2.gz CXDPHQGSSVUDSN-SDADXPQNSA-N 1 0 304.434 3.276 10 0 DGAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1c(F)cccc1Cl ZINC000660199709 436604250 /nfs/dbraw/zinc/60/42/50/436604250.db2.gz BLUBXFUPNXFOQK-SNVBAGLBSA-N 1 0 303.830 3.388 10 0 DGAERO Cc1cccc([C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C(C)(C)C)c1 ZINC000176856336 302033005 /nfs/dbraw/zinc/03/30/05/302033005.db2.gz DDIOFEQIYDTOMD-IRXDYDNUSA-N 1 0 317.477 3.428 10 0 DGAERO Cc1ccccc1[C@H](CC(C)C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000163761384 302182617 /nfs/dbraw/zinc/18/26/17/302182617.db2.gz DHEVKJRCRSTHBX-KRWDZBQOSA-N 1 0 303.450 3.215 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]CCNC(=O)C(C)C)c1ccccc1 ZINC000176548626 302197926 /nfs/dbraw/zinc/19/79/26/302197926.db2.gz QTWIFSCZDOCNIO-LJQANCHMSA-N 1 0 310.441 3.446 10 0 DGAERO Cc1ccccc1[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000180851562 302199495 /nfs/dbraw/zinc/19/94/95/302199495.db2.gz DHQSQTQCLLWPDH-YLJYHZDGSA-N 1 0 318.424 3.281 10 0 DGAERO FC(F)(F)c1ccccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261792800 303118749 /nfs/dbraw/zinc/11/87/49/303118749.db2.gz QIASJPPKSZFQTJ-MRXNPFEDSA-N 1 0 321.346 3.247 10 0 DGAERO FC(F)(F)c1ccc([C@@H](c2cccnc2)N2CC[NH2+]CC2)cc1 ZINC000023377875 303118753 /nfs/dbraw/zinc/11/87/53/303118753.db2.gz ZKXDOWYKJGPNRO-INIZCTEOSA-N 1 0 321.346 3.095 10 0 DGAERO C[NH+](C)C1CCN(Cc2csc(-c3ccccc3F)n2)CC1 ZINC000171064521 312709954 /nfs/dbraw/zinc/70/99/54/312709954.db2.gz VRDKLIVSLGCPPN-UHFFFAOYSA-N 1 0 319.449 3.475 10 0 DGAERO CSCc1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)ccc1F ZINC000174187184 312760944 /nfs/dbraw/zinc/76/09/44/312760944.db2.gz YSWJEEHXDRTOEO-HNNXBMFYSA-N 1 0 324.465 3.245 10 0 DGAERO c1cc2c(cccc2N2CC[NH+](CC[C@@H]3CCCCO3)CC2)[nH]1 ZINC000528761539 313075849 /nfs/dbraw/zinc/07/58/49/313075849.db2.gz JWZGOZQDPKABEZ-INIZCTEOSA-N 1 0 313.445 3.249 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC000530214935 313340390 /nfs/dbraw/zinc/34/03/90/313340390.db2.gz DYHLWTLSQQNUIC-HKUYNNGSSA-N 1 0 322.456 3.124 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]2N[C@@H]1CC[NH2+]C12CCC2 ZINC000530216917 313341175 /nfs/dbraw/zinc/34/11/75/313341175.db2.gz DIGJOYDVGKGRKK-HUUCEWRRSA-N 1 0 321.262 3.311 10 0 DGAERO c1cc(OC[C@@H]2CCCOC2)ccc1OCC[NH+]1CCCCC1 ZINC000532708361 313571443 /nfs/dbraw/zinc/57/14/43/313571443.db2.gz SYDKQWSNVPNTNE-QGZVFWFLSA-N 1 0 319.445 3.357 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(SCC)cc2)C1 ZINC000539057339 313897114 /nfs/dbraw/zinc/89/71/14/313897114.db2.gz YRGAJOGNVSKZJE-UKRRQHHQSA-N 1 0 321.490 3.253 10 0 DGAERO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N(C)CCC[NH+](C)C ZINC000539417093 313912026 /nfs/dbraw/zinc/91/20/26/313912026.db2.gz ZWXLLEVYPWLKFY-INIZCTEOSA-N 1 0 320.477 3.296 10 0 DGAERO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1C[C@H]1C ZINC000540118613 313947250 /nfs/dbraw/zinc/94/72/50/313947250.db2.gz PIRRWDHDBWUIMM-NFAWXSAZSA-N 1 0 308.853 3.323 10 0 DGAERO C[C@@H]1CC([NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000540507126 313964051 /nfs/dbraw/zinc/96/40/51/313964051.db2.gz UBERLMHATFMMGN-SNUQEOBHSA-N 1 0 317.408 3.194 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000541539138 314021770 /nfs/dbraw/zinc/02/17/70/314021770.db2.gz UIDNCWJACKOTIW-NXHRZFHOSA-N 1 0 300.446 3.376 10 0 DGAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000541539137 314022058 /nfs/dbraw/zinc/02/20/58/314022058.db2.gz UIDNCWJACKOTIW-NJAFHUGGSA-N 1 0 300.446 3.376 10 0 DGAERO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000542244349 314064076 /nfs/dbraw/zinc/06/40/76/314064076.db2.gz XGAKXQLPLHDDDY-NVXWUHKLSA-N 1 0 318.436 3.161 10 0 DGAERO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C[C@H]1CC=CCC1 ZINC000543172176 314117954 /nfs/dbraw/zinc/11/79/54/314117954.db2.gz HCFMOTDZTNUXRY-HOCLYGCPSA-N 1 0 309.837 3.368 10 0 DGAERO Brc1ccccc1CCC[N@@H+]1CCOCC2(CC2)C1 ZINC000543187986 314119396 /nfs/dbraw/zinc/11/93/96/314119396.db2.gz PUIQICQHAXQTQU-UHFFFAOYSA-N 1 0 324.262 3.494 10 0 DGAERO CC1CC[NH+](CCCCNC(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000543198944 314120290 /nfs/dbraw/zinc/12/02/90/314120290.db2.gz POPPESNYRGLFIJ-SFHVURJKSA-N 1 0 321.509 3.496 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000543199509 314120425 /nfs/dbraw/zinc/12/04/25/314120425.db2.gz HHSCORYWECPTIQ-KRWDZBQOSA-N 1 0 307.482 3.106 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000543199315 314120558 /nfs/dbraw/zinc/12/05/58/314120558.db2.gz YQVVRDUJKBDWPM-FGTMMUONSA-N 1 0 321.509 3.352 10 0 DGAERO C[C@H](O)C[C@H](C)C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000544567228 314199203 /nfs/dbraw/zinc/19/92/03/314199203.db2.gz REDFBGZZHBLSNX-DCGLDWPTSA-N 1 0 321.852 3.160 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000545148008 314228502 /nfs/dbraw/zinc/22/85/02/314228502.db2.gz AOUQPVHAHOGKGG-UHFFFAOYSA-N 1 0 314.351 3.327 10 0 DGAERO C[C@H]1CCN(CC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000545199499 314231873 /nfs/dbraw/zinc/23/18/73/314231873.db2.gz FMVBIQXOACCQJL-HNNXBMFYSA-N 1 0 318.461 3.073 10 0 DGAERO Cc1nc(-c2ccc(C[NH2+][C@H](C)Cn3cccn3)cc2)cs1 ZINC000546720416 314325043 /nfs/dbraw/zinc/32/50/43/314325043.db2.gz YFJVNGDPECMZBK-CYBMUJFWSA-N 1 0 312.442 3.493 10 0 DGAERO CCC[C@H](C[NH+]1CCN(c2ccnc(C)n2)CC1)c1ccccc1 ZINC000546961744 314338250 /nfs/dbraw/zinc/33/82/50/314338250.db2.gz FQVVFLHOVPDCGK-LJQANCHMSA-N 1 0 324.472 3.491 10 0 DGAERO CSc1ccc([C@H](C)NC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000547372290 314361010 /nfs/dbraw/zinc/36/10/10/314361010.db2.gz YWXKTBXYNZODCR-ZDUSSCGKSA-N 1 0 309.479 3.063 10 0 DGAERO COc1ccc(F)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000558655726 314855974 /nfs/dbraw/zinc/85/59/74/314855974.db2.gz KYOLHYZFAKKUMN-UHFFFAOYSA-N 1 0 307.409 3.473 10 0 DGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000558971284 314870214 /nfs/dbraw/zinc/87/02/14/314870214.db2.gz RLFLZSNDDMITDU-XSLAGTTESA-N 1 0 309.494 3.359 10 0 DGAERO COc1ccc(OC(F)F)c(C[NH2+]CCOCC2CCC2)c1 ZINC000562279090 315005276 /nfs/dbraw/zinc/00/52/76/315005276.db2.gz AOQYRNAPFCRTJZ-UHFFFAOYSA-N 1 0 315.360 3.203 10 0 DGAERO [NH3+]C1(c2noc(/C=C\c3ccc(Br)o3)n2)CCCC1 ZINC000564959495 315214514 /nfs/dbraw/zinc/21/45/14/315214514.db2.gz HCCSKFPZFUVBBX-XQRVVYSFSA-N 1 0 324.178 3.324 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC23CC3)cc(OC2CCOCC2)n1 ZINC000565244323 315246767 /nfs/dbraw/zinc/24/67/67/315246767.db2.gz QPBPEFFEGPSOEN-MRXNPFEDSA-N 1 0 302.418 3.062 10 0 DGAERO COc1cc(C[NH2+]CCOCC2CCC2)cc(Cl)c1OC ZINC000565925826 315297395 /nfs/dbraw/zinc/29/73/95/315297395.db2.gz MAZQQDTWLSTYAF-UHFFFAOYSA-N 1 0 313.825 3.264 10 0 DGAERO c1sc(C2CCCC2)nc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572247144 315778235 /nfs/dbraw/zinc/77/82/35/315778235.db2.gz VZJDOGCAHVXKKX-KRWDZBQOSA-N 1 0 305.491 3.376 10 0 DGAERO c1c[nH]c([C@@H](NCc2ccc3c[nH+]cn3c2)C2CCCCC2)n1 ZINC000572611873 315805964 /nfs/dbraw/zinc/80/59/64/315805964.db2.gz QEZALYVIGRMVFR-KRWDZBQOSA-N 1 0 309.417 3.469 10 0 DGAERO c1ccc(N2CCO[C@H](C[NH2+][C@H](c3cccnc3)C3CC3)C2)cc1 ZINC000573016678 315834788 /nfs/dbraw/zinc/83/47/88/315834788.db2.gz YNGVBITULYNTBK-UXHICEINSA-N 1 0 323.440 3.028 10 0 DGAERO CCc1nc(C)c(NC(=O)NCC2CC[NH+](C3CC3)CC2)s1 ZINC000573196464 315847086 /nfs/dbraw/zinc/84/70/86/315847086.db2.gz RXRQJXLUHWBZJJ-UHFFFAOYSA-N 1 0 322.478 3.010 10 0 DGAERO COc1ccc(C[C@H](C)C[NH2+]CCOCC2CCC2)cc1F ZINC000574130717 315934376 /nfs/dbraw/zinc/93/43/76/315934376.db2.gz OJCLNKIYNAMZPH-AWEZNQCLSA-N 1 0 309.425 3.419 10 0 DGAERO COC[C@@H](O)C[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000577068349 316199189 /nfs/dbraw/zinc/19/91/89/316199189.db2.gz RPFPNCFCGJTDPK-GVDBMIGSSA-N 1 0 311.853 3.353 10 0 DGAERO CCc1ccsc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180162990 323222621 /nfs/dbraw/zinc/22/26/21/323222621.db2.gz RWNKNCIIZPNAGR-HZPDHXFCSA-N 1 0 314.454 3.486 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)Cc1cccc2nccn21 ZINC000180538546 323232149 /nfs/dbraw/zinc/23/21/49/323232149.db2.gz CORCYQIGZLYKTB-UHFFFAOYSA-N 1 0 300.431 3.244 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@H]2CC23CCCCC3)CC1 ZINC000180549201 323232172 /nfs/dbraw/zinc/23/21/72/323232172.db2.gz VSVVWJPNSPXRCJ-INIZCTEOSA-N 1 0 307.482 3.130 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)CC2 ZINC000180625488 323233963 /nfs/dbraw/zinc/23/39/63/323233963.db2.gz NMRISANALWZZRH-ILXRZTDVSA-N 1 0 304.482 3.350 10 0 DGAERO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccoc2)N2CCOCC2)s1 ZINC000180657593 323235257 /nfs/dbraw/zinc/23/52/57/323235257.db2.gz OCCZBZZOZANITE-ZBFHGGJFSA-N 1 0 320.458 3.374 10 0 DGAERO C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC12CCCCC2 ZINC000180667164 323235358 /nfs/dbraw/zinc/23/53/58/323235358.db2.gz MGPUWBDTOXHIDQ-KRWDZBQOSA-N 1 0 316.445 3.080 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1)C(C)C ZINC000180658844 323235614 /nfs/dbraw/zinc/23/56/14/323235614.db2.gz JWJODQVKEOZMEN-HZPDHXFCSA-N 1 0 310.507 3.454 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(-c2cccs2)on1 ZINC000180828719 323239370 /nfs/dbraw/zinc/23/93/70/323239370.db2.gz CNYVFGYULHYFKK-HUUCEWRRSA-N 1 0 317.458 3.462 10 0 DGAERO CC(C)CC(CC(C)C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000180926910 323241636 /nfs/dbraw/zinc/24/16/36/323241636.db2.gz OFRGIEIPTPPQLY-INIZCTEOSA-N 1 0 304.482 3.496 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)CCc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000181013968 323244416 /nfs/dbraw/zinc/24/44/16/323244416.db2.gz POZITPALFAXXSA-YOEHRIQHSA-N 1 0 313.445 3.042 10 0 DGAERO CC(C)(C)[NH2+]CCNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000181141052 323246973 /nfs/dbraw/zinc/24/69/73/323246973.db2.gz AXIZZPFJAIHAID-UHFFFAOYSA-N 1 0 308.388 3.250 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(CC)CC ZINC000181466678 323255756 /nfs/dbraw/zinc/25/57/56/323255756.db2.gz BGUZQLLOFSKZJX-DLBZAZTESA-N 1 0 324.509 3.207 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCCc2nc(C(C)C)no2)C12CCCC2 ZINC000181666853 323263436 /nfs/dbraw/zinc/26/34/36/323263436.db2.gz LXKFLZFREFIXOJ-LSDHHAIUSA-N 1 0 321.465 3.453 10 0 DGAERO CC[C@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1nccs1 ZINC000181807341 323270150 /nfs/dbraw/zinc/27/01/50/323270150.db2.gz VCDACSNBOQVAQW-KBPBESRZSA-N 1 0 324.494 3.158 10 0 DGAERO Cc1ccc(CCC[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000181800342 323270325 /nfs/dbraw/zinc/27/03/25/323270325.db2.gz XBAOEVZTJTVEIC-IBGZPJMESA-N 1 0 324.472 3.318 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000182047417 323281421 /nfs/dbraw/zinc/28/14/21/323281421.db2.gz FNLUZIADTFJBES-SJCJKPOMSA-N 1 0 301.434 3.476 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCCc2c(C)nn(C)c2C)C12CCCC2 ZINC000182109642 323283692 /nfs/dbraw/zinc/28/36/92/323283692.db2.gz JBNWXJPJPQZCQD-ZWKOTPCHSA-N 1 0 319.493 3.297 10 0 DGAERO CCC[C@@H](C)C[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000182214346 323287249 /nfs/dbraw/zinc/28/72/49/323287249.db2.gz QLFLQDDBVCXMRV-CQSZACIVSA-N 1 0 302.418 3.089 10 0 DGAERO Cc1cnn(CCCCC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000182279053 323290268 /nfs/dbraw/zinc/29/02/68/323290268.db2.gz OJGCVFAKVLXLCT-HNNXBMFYSA-N 1 0 315.417 3.441 10 0 DGAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182338766 323294256 /nfs/dbraw/zinc/29/42/56/323294256.db2.gz RBAIIEPKJQNQIK-NUEKZKHPSA-N 1 0 320.481 3.028 10 0 DGAERO CC[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCCO1 ZINC000182349084 323294466 /nfs/dbraw/zinc/29/44/66/323294466.db2.gz MDJHQXUOKVWPPJ-IRXDYDNUSA-N 1 0 303.381 3.059 10 0 DGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182338806 323294493 /nfs/dbraw/zinc/29/44/93/323294493.db2.gz RBAIIEPKJQNQIK-CWRNSKLLSA-N 1 0 320.481 3.028 10 0 DGAERO O=C(NCC[NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000182664515 323308011 /nfs/dbraw/zinc/30/80/11/323308011.db2.gz VSBNFRWMQGDGDC-GOSISDBHSA-N 1 0 312.388 3.223 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000182707923 323309762 /nfs/dbraw/zinc/30/97/62/323309762.db2.gz ALWBCACZDCPIFR-TZMCWYRMSA-N 1 0 320.399 3.346 10 0 DGAERO CCc1noc([C@H](C)N2CC[NH+](C[C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000183058239 323323107 /nfs/dbraw/zinc/32/31/07/323323107.db2.gz GTDXIMXNFVSEIX-HRCADAONSA-N 1 0 320.481 3.137 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)c1nccn1C ZINC000183348094 323334013 /nfs/dbraw/zinc/33/40/13/323334013.db2.gz WVQVORADHRPHQB-MRXNPFEDSA-N 1 0 309.417 3.155 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000183343338 323334377 /nfs/dbraw/zinc/33/43/77/323334377.db2.gz CSYARKAUTCEJSL-HUUCEWRRSA-N 1 0 312.413 3.416 10 0 DGAERO CCCC[C@@H](CC)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000183614262 323343781 /nfs/dbraw/zinc/34/37/81/323343781.db2.gz XIQHBQCMOJRHJZ-GOSISDBHSA-N 1 0 320.525 3.496 10 0 DGAERO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000183646965 323344701 /nfs/dbraw/zinc/34/47/01/323344701.db2.gz SIDBGZUPMLJXFQ-IAGOWNOFSA-N 1 0 311.441 3.158 10 0 DGAERO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000183737627 323345917 /nfs/dbraw/zinc/34/59/17/323345917.db2.gz IUCMLTDYMBHWQD-IXDOHACOSA-N 1 0 302.466 3.251 10 0 DGAERO C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]2CCCC[C@H]12 ZINC000184008518 323352863 /nfs/dbraw/zinc/35/28/63/323352863.db2.gz UYBKCUNPANAFGI-BNGPMPHDSA-N 1 0 321.509 3.327 10 0 DGAERO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCn1ccnn1)CCCO2 ZINC000184274264 323360906 /nfs/dbraw/zinc/36/09/06/323360906.db2.gz WVHOFDBPXJJOBH-KRWDZBQOSA-N 1 0 314.433 3.295 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000185292970 323387182 /nfs/dbraw/zinc/38/71/82/323387182.db2.gz NCZIPPPKSHIWRX-CQSZACIVSA-N 1 0 300.402 3.298 10 0 DGAERO C[C@@H]([C@H](C)[NH2+]Cc1cc(=O)n2ccccc2n1)C1CCCCC1 ZINC000185520190 323389806 /nfs/dbraw/zinc/38/98/06/323389806.db2.gz ADVNEVVVOCHYAB-GJZGRUSLSA-N 1 0 313.445 3.389 10 0 DGAERO C[C@@H](NCc1cn2ccsc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738662 323393900 /nfs/dbraw/zinc/39/39/00/323393900.db2.gz KUGXNNNCGDUTOR-ZIAGYGMSSA-N 1 0 318.490 3.138 10 0 DGAERO CCC[C@@H]1CCCCN1C(=O)NCC1CC[NH+](CCC)CC1 ZINC000185834234 323396743 /nfs/dbraw/zinc/39/67/43/323396743.db2.gz HQGCLMKSPDTIRK-QGZVFWFLSA-N 1 0 309.498 3.473 10 0 DGAERO C[C@H]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)c2ccccc21 ZINC000186583352 323406420 /nfs/dbraw/zinc/40/64/20/323406420.db2.gz SDBSZERWWKVNIA-WMLDXEAASA-N 1 0 303.450 3.218 10 0 DGAERO COc1ccc2c(c1)nc(C[NH2+][C@H]1CCc3ccccc31)n2C ZINC000186526402 323406471 /nfs/dbraw/zinc/40/64/71/323406471.db2.gz GKXHWHNYZXIIFQ-INIZCTEOSA-N 1 0 307.397 3.359 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000187615465 323416824 /nfs/dbraw/zinc/41/68/24/323416824.db2.gz CXDHIECCVCYEGH-HZPDHXFCSA-N 1 0 310.507 3.393 10 0 DGAERO COC[C@H](C)C[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000188162623 323423445 /nfs/dbraw/zinc/42/34/45/323423445.db2.gz LYOYLHLNBCSNNL-LLVKDONJSA-N 1 0 320.355 3.130 10 0 DGAERO COC[C@H](C)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188174150 323423559 /nfs/dbraw/zinc/42/35/59/323423559.db2.gz BWKXTYPIHNPDON-XFBWCDHKSA-N 1 0 314.832 3.096 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(C)cc2)ccc1F ZINC000191594720 323448608 /nfs/dbraw/zinc/44/86/08/323448608.db2.gz SEOZNYKTPVDBRW-WMLDXEAASA-N 1 0 317.404 3.397 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(CCOCc4ccccc4)n3)cc12 ZINC000351095119 323544720 /nfs/dbraw/zinc/54/47/20/323544720.db2.gz QITACFGGXRFQDB-UHFFFAOYSA-N 1 0 320.352 3.144 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCC(C)(F)F)C1 ZINC000379247424 323606765 /nfs/dbraw/zinc/60/67/65/323606765.db2.gz BVBXNCBGRYDBQX-LBPRGKRZSA-N 1 0 306.397 3.268 10 0 DGAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncc(Br)cc2Cl)C1 ZINC000382408141 323620795 /nfs/dbraw/zinc/62/07/95/323620795.db2.gz CEJBQRHYJWXSFR-IONNQARKSA-N 1 0 304.619 3.037 10 0 DGAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000383565736 323625079 /nfs/dbraw/zinc/62/50/79/323625079.db2.gz AZYORYJUHJABAO-CMPLNLGQSA-N 1 0 300.244 3.241 10 0 DGAERO C[C@@]1(C(=O)NCc2ccc(OCc3ccccc3)cc2)CCC[NH2+]1 ZINC000383758843 323626377 /nfs/dbraw/zinc/62/63/77/323626377.db2.gz FKPGOEUUINMVOG-FQEVSTJZSA-N 1 0 324.424 3.024 10 0 DGAERO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccsc1Br ZINC000388874293 323655481 /nfs/dbraw/zinc/65/54/81/323655481.db2.gz DDOCZUIOONDTCJ-SKDRFNHKSA-N 1 0 304.253 3.151 10 0 DGAERO [NH3+][C@@H]1C[C@@H](NCc2ccn(Cc3ccccc3)n2)c2ccccc21 ZINC000389957590 323664238 /nfs/dbraw/zinc/66/42/38/323664238.db2.gz XSTHEZXCLMFRGC-WOJBJXKFSA-N 1 0 318.424 3.166 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)Cc2coc3ccccc23)CC1 ZINC000578340393 323720180 /nfs/dbraw/zinc/72/01/80/323720180.db2.gz YYYCJTWWQXOARU-UHFFFAOYSA-N 1 0 314.429 3.214 10 0 DGAERO COC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1cccc(C(F)(F)F)c1 ZINC000578582311 323752515 /nfs/dbraw/zinc/75/25/15/323752515.db2.gz CXNWOIKIZCEFNN-UHIISALHSA-N 1 0 305.340 3.406 10 0 DGAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C2CC(C(C)(C)C)C2)c1 ZINC000583495399 324361709 /nfs/dbraw/zinc/36/17/09/324361709.db2.gz CJXLSDDJALEVCU-OFLPRAFFSA-N 1 0 319.445 3.043 10 0 DGAERO c1cnc2ccc(C[N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)cc2c1 ZINC000583619387 324375934 /nfs/dbraw/zinc/37/59/34/324375934.db2.gz RJROTFWNWBAHJI-MRXNPFEDSA-N 1 0 320.396 3.485 10 0 DGAERO O=S1(=O)CCC[C@H](C[NH2+]C2(c3ccccc3)CCCCC2)C1 ZINC000583708096 324388260 /nfs/dbraw/zinc/38/82/60/324388260.db2.gz DDKAYPWFLUCYLQ-MRXNPFEDSA-N 1 0 321.486 3.260 10 0 DGAERO CN1c2cc(-c3cnn(-c4cc[nH+]cc4)c3)ccc2C(C)(C)C1=O ZINC000584625481 337375397 /nfs/dbraw/zinc/37/53/97/337375397.db2.gz FVHNZHAJJGBZKX-UHFFFAOYSA-N 1 0 318.380 3.188 10 0 DGAERO CC(C)[N@@H+]1CC[C@H]([C@@](C(N)=O)(c2ccccc2)C2CCCC2)C1 ZINC000584633796 337377561 /nfs/dbraw/zinc/37/75/61/337377561.db2.gz MTJMHBZMNZKIRT-AZUAARDMSA-N 1 0 314.473 3.330 10 0 DGAERO O[C@H]([C@H]1CCCC[NH2+]1)[C@H]1CCNc2c1cccc2C(F)(F)F ZINC000584637458 337379594 /nfs/dbraw/zinc/37/95/94/337379594.db2.gz PFSVXXXAEPJUHV-LNSITVRQSA-N 1 0 314.351 3.108 10 0 DGAERO COc1cc(C[NH2+]Cc2ccoc2)cc(Br)c1O ZINC000132163367 533886685 /nfs/dbraw/zinc/88/66/85/533886685.db2.gz NQPFUARYMGMIKR-UHFFFAOYSA-N 1 0 312.163 3.046 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)[S@](C)=O ZINC000160159909 533940804 /nfs/dbraw/zinc/94/08/04/533940804.db2.gz CBIJYZKUMCAFKP-GSDQLPOLSA-N 1 0 311.344 3.091 10 0 DGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC23CCC3)C1 ZINC000435612319 534110693 /nfs/dbraw/zinc/11/06/93/534110693.db2.gz FOGHRQTZFZHOIH-RDJZCZTQSA-N 1 0 313.445 3.160 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000444144443 534183845 /nfs/dbraw/zinc/18/38/45/534183845.db2.gz LBKHQIXGCIUJDY-KZNAEPCWSA-N 1 0 321.509 3.473 10 0 DGAERO CCC(C)(C)OCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000457534699 517534345 /nfs/dbraw/zinc/53/43/45/517534345.db2.gz TWWJCKBYSYCFOT-KRWDZBQOSA-N 1 0 324.509 3.306 10 0 DGAERO CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000262460786 517669717 /nfs/dbraw/zinc/66/97/17/517669717.db2.gz MLEKJEGIDHWJSI-JLLWLGSASA-N 1 0 315.244 3.211 10 0 DGAERO Cc1nc(CC[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)cs1 ZINC000299743151 534331176 /nfs/dbraw/zinc/33/11/76/534331176.db2.gz MDCLVWYOXMOJQD-HNNXBMFYSA-N 1 0 316.474 3.016 10 0 DGAERO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000181297584 519687591 /nfs/dbraw/zinc/68/75/91/519687591.db2.gz ALRLABNTMMSXSL-DNVCBOLYSA-N 1 0 323.440 3.409 10 0 DGAERO CCOC(=O)CCCC[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157776171 520635019 /nfs/dbraw/zinc/63/50/19/520635019.db2.gz GANBRJDFHCIMGF-CYBMUJFWSA-N 1 0 309.454 3.331 10 0 DGAERO CC[NH+](CC)CCN1CCC(c2nc3ccccc3o2)CC1 ZINC000157381759 520663229 /nfs/dbraw/zinc/66/32/29/520663229.db2.gz BZENGEIYFLOPKQ-UHFFFAOYSA-N 1 0 301.434 3.349 10 0 DGAERO CCN(Cc1c(F)cccc1F)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000157552010 521281417 /nfs/dbraw/zinc/28/14/17/521281417.db2.gz KHQGZVJFZLCZAY-ZLIFDBKOSA-N 1 0 322.399 3.234 10 0 DGAERO CCCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)n1 ZINC000070456446 521384725 /nfs/dbraw/zinc/38/47/25/521384725.db2.gz SPPMOENDOPSOBM-INIZCTEOSA-N 1 0 314.408 3.399 10 0 DGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163432833 521625009 /nfs/dbraw/zinc/62/50/09/521625009.db2.gz XSCKTEWJHVHLGT-GFCCVEGCSA-N 1 0 304.331 3.418 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1CCCN1CCOC)c1cc(F)ccc1F ZINC000163320586 522616216 /nfs/dbraw/zinc/61/62/16/522616216.db2.gz OMFGGYDRNSYYQI-YOEHRIQHSA-N 1 0 312.404 3.116 10 0 DGAERO Cc1[nH+]c2ccccc2c(N2CCC[C@H](Cn3ccnn3)C2)c1C ZINC000302072695 534669369 /nfs/dbraw/zinc/66/93/69/534669369.db2.gz HJNYCPQJXXBXJE-INIZCTEOSA-N 1 0 321.428 3.360 10 0 DGAERO C[N@H+](CCc1cccc(OC(F)(F)F)c1)C[C@@H]1CCCO1 ZINC000156230569 522946890 /nfs/dbraw/zinc/94/68/90/522946890.db2.gz YYVXXNPQNLWSHJ-AWEZNQCLSA-N 1 0 303.324 3.239 10 0 DGAERO C[N@H+](CCc1cccc(OC(F)(F)F)c1)C[C@H]1CCCO1 ZINC000156230709 522947926 /nfs/dbraw/zinc/94/79/26/522947926.db2.gz YYVXXNPQNLWSHJ-CQSZACIVSA-N 1 0 303.324 3.239 10 0 DGAERO C[NH2+][C@@H]1CCN(c2cc(Br)ccc2F)[C@@H](C)C1 ZINC000049711331 536377489 /nfs/dbraw/zinc/37/74/89/536377489.db2.gz UIAJOMVITUYSOR-GXSJLCMTSA-N 1 0 301.203 3.165 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000163415130 523828581 /nfs/dbraw/zinc/82/85/81/523828581.db2.gz LGPFGDYMSYNWOA-DZGCQCFKSA-N 1 0 319.474 3.058 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000163440654 523829676 /nfs/dbraw/zinc/82/96/76/523829676.db2.gz ISIMZLPZGLHBDB-GDBMZVCRSA-N 1 0 302.418 3.194 10 0 DGAERO Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)c1 ZINC000237811701 524108550 /nfs/dbraw/zinc/10/85/50/524108550.db2.gz ROXYBUUZEGHTLF-MOPGFXCFSA-N 1 0 308.425 3.406 10 0 DGAERO COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000158119297 524752347 /nfs/dbraw/zinc/75/23/47/524752347.db2.gz PHHKGEHNJJVASW-KRWDZBQOSA-N 1 0 310.397 3.131 10 0 DGAERO C[C@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccccc1Cl ZINC000156732484 525222011 /nfs/dbraw/zinc/22/20/11/525222011.db2.gz IOBPRZNVRIJECX-NSHDSACASA-N 1 0 300.789 3.434 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(-n2ccnc2)cc1 ZINC000154779357 525468858 /nfs/dbraw/zinc/46/88/58/525468858.db2.gz UJKOLHAFMYIZGP-HNNXBMFYSA-N 1 0 321.428 3.184 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(N(C)C)c1C ZINC000455075015 534906955 /nfs/dbraw/zinc/90/69/55/534906955.db2.gz OSMSVHCBRIVKAU-HNNXBMFYSA-N 1 0 318.465 3.057 10 0 DGAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000152821255 526388976 /nfs/dbraw/zinc/38/89/76/526388976.db2.gz AASIIMZBRLDOGR-MRXNPFEDSA-N 1 0 308.425 3.473 10 0 DGAERO c1ccc(CCN2CC[C@@H]([NH2+]C[C@@H]3CCCCS3)C2)cc1 ZINC000156406563 526465259 /nfs/dbraw/zinc/46/52/59/526465259.db2.gz XONUEFZCTHDATL-MSOLQXFVSA-N 1 0 304.503 3.179 10 0 DGAERO c1sc(C2CC2)nc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000161727894 526630091 /nfs/dbraw/zinc/63/00/91/526630091.db2.gz ABXAZHJVJTZLOD-MRXNPFEDSA-N 1 0 305.491 3.471 10 0 DGAERO Brc1cccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054586 526646232 /nfs/dbraw/zinc/64/62/32/526646232.db2.gz QABOXMFKDUUDGE-ZBFHGGJFSA-N 1 0 323.278 3.413 10 0 DGAERO [NH3+]CCCc1nnc(SCc2ccc(F)cc2Cl)o1 ZINC000040173823 527183275 /nfs/dbraw/zinc/18/32/75/527183275.db2.gz NFXYDVWQQNYLJZ-UHFFFAOYSA-N 1 0 301.774 3.046 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1Cl ZINC000415437170 527302007 /nfs/dbraw/zinc/30/20/07/527302007.db2.gz AGNIYRVZDXUAIA-BMIGLBTASA-N 1 0 323.824 3.134 10 0 DGAERO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000189289988 527397411 /nfs/dbraw/zinc/39/74/11/527397411.db2.gz POLVTDJRGDMSLH-OAHLLOKOSA-N 1 0 313.376 3.071 10 0 DGAERO CC(C)CCn1cccc1C[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000328626492 527886284 /nfs/dbraw/zinc/88/62/84/527886284.db2.gz FDECLWGLOQYJMQ-INIZCTEOSA-N 1 0 300.450 3.083 10 0 DGAERO CC1(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)CCC1 ZINC000176641427 527960992 /nfs/dbraw/zinc/96/09/92/527960992.db2.gz STNSYVAKZYEYHC-UHFFFAOYSA-N 1 0 315.461 3.272 10 0 DGAERO CCC[NH+](CCC)CCCNC(=O)Nc1cn(C)nc1C(C)C ZINC000435171556 528059309 /nfs/dbraw/zinc/05/93/09/528059309.db2.gz RIXRVYBFBDFLDF-UHFFFAOYSA-N 1 0 323.485 3.177 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@H](Cc2ccccc2)OC)cc1 ZINC000449393049 536527762 /nfs/dbraw/zinc/52/77/62/536527762.db2.gz LSSYWLRRDXUBSU-JXFKEZNVSA-N 1 0 313.441 3.474 10 0 DGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC12CCC2 ZINC000435576780 528198899 /nfs/dbraw/zinc/19/88/99/528198899.db2.gz CBBKIIPXTVKTRK-UHFFFAOYSA-N 1 0 315.461 3.366 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000435138983 528222273 /nfs/dbraw/zinc/22/22/73/528222273.db2.gz LYTWQXKGJUKRBH-RLFYNMQTSA-N 1 0 318.436 3.452 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCC12CCC2)c1ccco1 ZINC000435489772 528271934 /nfs/dbraw/zinc/27/19/34/528271934.db2.gz CTJIVJGGQFBHHQ-CQSZACIVSA-N 1 0 305.422 3.001 10 0 DGAERO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434989806 528526588 /nfs/dbraw/zinc/52/65/88/528526588.db2.gz CLPCDRZHTIZMNK-QGZVFWFLSA-N 1 0 303.406 3.451 10 0 DGAERO CC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CCC1 ZINC000443616068 528741583 /nfs/dbraw/zinc/74/15/83/528741583.db2.gz QATBIPHNWXQWEY-CQSZACIVSA-N 1 0 301.352 3.483 10 0 DGAERO CCC(CC)[C@@H](CNC(=O)N1CCC12CCC2)[NH+]1CCCC1 ZINC000435575266 528819289 /nfs/dbraw/zinc/81/92/89/528819289.db2.gz CNBYFXQLAOYKCO-MRXNPFEDSA-N 1 0 307.482 3.225 10 0 DGAERO CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H](O)C(F)(F)F ZINC000490130968 535041040 /nfs/dbraw/zinc/04/10/40/535041040.db2.gz RDECMZAGXQUUOD-STQMWFEESA-N 1 0 307.381 3.316 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000473191175 535299471 /nfs/dbraw/zinc/29/94/71/535299471.db2.gz XGHIEGREVPWMRK-HOTGVXAUSA-N 1 0 321.465 3.494 10 0 DGAERO CCCc1occc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000467070366 535571787 /nfs/dbraw/zinc/57/17/87/535571787.db2.gz VOCANUHWZWVSBX-INIZCTEOSA-N 1 0 306.450 3.472 10 0 DGAERO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(C)cc(OC)c2C)C[C@H]1C ZINC000489724419 535775813 /nfs/dbraw/zinc/77/58/13/535775813.db2.gz LIEUVOZOUPZDLM-ZIAGYGMSSA-N 1 0 319.449 3.258 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000471776812 536706629 /nfs/dbraw/zinc/70/66/29/536706629.db2.gz YJVTWPXEDWSEJS-KSZLIROESA-N 1 0 300.377 3.467 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000471782508 536706715 /nfs/dbraw/zinc/70/67/15/536706715.db2.gz SRNHRGMLXZSIKI-KWCYVHTRSA-N 1 0 302.418 3.134 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2c(C)cccc2C)o1 ZINC000046342449 545681509 /nfs/dbraw/zinc/68/15/09/545681509.db2.gz DHWXIRFJXMKTOA-MRXNPFEDSA-N 1 0 303.402 3.077 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000073328067 545713022 /nfs/dbraw/zinc/71/30/22/545713022.db2.gz VTSTVPUERRPJBN-LPHOPBHVSA-N 1 0 308.425 3.213 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079516956 545758402 /nfs/dbraw/zinc/75/84/02/545758402.db2.gz FGLHOKQPJOPDBU-AWEZNQCLSA-N 1 0 301.217 3.094 10 0 DGAERO O[C@H](C[NH2+]CCC1CC1)COc1c(Cl)cccc1Cl ZINC000088457412 545808825 /nfs/dbraw/zinc/80/88/25/545808825.db2.gz NOGMPHQGPZUOKY-LLVKDONJSA-N 1 0 304.217 3.123 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000089430801 545813643 /nfs/dbraw/zinc/81/36/43/545813643.db2.gz DSBHCFBLKVXNEN-PWSUYJOCSA-N 1 0 322.206 3.342 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1C(F)(F)F ZINC000089460907 545814674 /nfs/dbraw/zinc/81/46/74/545814674.db2.gz WYRDQDPSFXRSGP-CMPLNLGQSA-N 1 0 300.324 3.327 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000089456274 545814758 /nfs/dbraw/zinc/81/47/58/545814758.db2.gz VDFIPYBQXJLWIO-XJKSGUPXSA-N 1 0 306.837 3.206 10 0 DGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091479747 545835563 /nfs/dbraw/zinc/83/55/63/545835563.db2.gz MSWGYARBOBELHM-PWSUYJOCSA-N 1 0 300.324 3.327 10 0 DGAERO CN1C[C@@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)CCC1=O ZINC000096803772 545862988 /nfs/dbraw/zinc/86/29/88/545862988.db2.gz QLZJWVPFUYDKAD-QMMMGPOBSA-N 1 0 321.635 3.357 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)s1)C(=O)NCc1ccco1 ZINC000127216413 545928045 /nfs/dbraw/zinc/92/80/45/545928045.db2.gz ASZRFBLNDHVTEQ-GFCCVEGCSA-N 1 0 320.458 3.433 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130802368 545952340 /nfs/dbraw/zinc/95/23/40/545952340.db2.gz CDLNEUNTMOHYJJ-AVGNSLFASA-N 1 0 308.388 3.344 10 0 DGAERO c1c(-c2ccccc2)nnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000141930115 545986242 /nfs/dbraw/zinc/98/62/42/545986242.db2.gz LIYDVWVZTHTTQC-GOSISDBHSA-N 1 0 304.397 3.392 10 0 DGAERO CN1C[C@H]([NH2+][C@H](Cc2ccccc2)C2CCCCC2)CCC1=O ZINC000152429791 546003606 /nfs/dbraw/zinc/00/36/06/546003606.db2.gz JHNWEOUDSLESFN-RTBURBONSA-N 1 0 314.473 3.388 10 0 DGAERO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000177437224 546121837 /nfs/dbraw/zinc/12/18/37/546121837.db2.gz NGJQUBSBAHFVIB-GHMZBOCLSA-N 1 0 300.805 3.385 10 0 DGAERO CCC[C@H](C(=O)NCCc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000179175724 546134026 /nfs/dbraw/zinc/13/40/26/546134026.db2.gz HSKYDHIWVNJGAX-CQSZACIVSA-N 1 0 316.367 3.094 10 0 DGAERO COc1ccc(C[NH2+][C@H](C)c2c[nH]nc2C)cc1OC(F)F ZINC000180048473 546140950 /nfs/dbraw/zinc/14/09/50/546140950.db2.gz UJGJESUJCAXNOZ-SECBINFHSA-N 1 0 311.332 3.179 10 0 DGAERO COc1ccc([C@@H](C)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000180484191 546145880 /nfs/dbraw/zinc/14/58/80/546145880.db2.gz UIXILILZSXULIY-KXBFYZLASA-N 1 0 312.413 3.347 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccc(F)c(Cl)c1 ZINC000180721696 546147727 /nfs/dbraw/zinc/14/77/27/546147727.db2.gz NRPYULQBEGNSGR-SNVBAGLBSA-N 1 0 324.827 3.435 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccc(F)c(Cl)c1 ZINC000180723308 546147883 /nfs/dbraw/zinc/14/78/83/546147883.db2.gz UFQPJVXGHGIHRI-GFCCVEGCSA-N 1 0 312.816 3.388 10 0 DGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000180734271 546149042 /nfs/dbraw/zinc/14/90/42/546149042.db2.gz FUZINURUTCHCTC-RYUDHWBXSA-N 1 0 312.816 3.388 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2F)cc1F ZINC000181341314 546155103 /nfs/dbraw/zinc/15/51/03/546155103.db2.gz YOHGDWBIUMPJEA-ZDUSSCGKSA-N 1 0 318.367 3.240 10 0 DGAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000181415859 546157232 /nfs/dbraw/zinc/15/72/32/546157232.db2.gz PZANFEUMFRPOHD-LBPRGKRZSA-N 1 0 303.855 3.204 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)[NH2+]CC(=O)N2CCCC2)cc1 ZINC000181740759 546160362 /nfs/dbraw/zinc/16/03/62/546160362.db2.gz QSEZKXLPWZLMNW-INIZCTEOSA-N 1 0 318.461 3.385 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1cccs1 ZINC000182560912 546165610 /nfs/dbraw/zinc/16/56/10/546165610.db2.gz HHJBCTUHSAFIGN-KKUMJFAQSA-N 1 0 324.490 3.110 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C(F)F)cc1 ZINC000185688489 546189227 /nfs/dbraw/zinc/18/92/27/546189227.db2.gz DYOTXCCUZFOSRQ-IUODEOHRSA-N 1 0 323.387 3.002 10 0 DGAERO Cc1ccc2c(CC[NH2+]Cc3cnc4ccccn34)cn(C)c2c1 ZINC000186545813 546194630 /nfs/dbraw/zinc/19/46/30/546194630.db2.gz FVNJCXGQHQGOSY-UHFFFAOYSA-N 1 0 318.424 3.467 10 0 DGAERO Fc1ccc(C2(C[NH2+]Cc3cncnc3)CCCC2)c(F)c1 ZINC000186443133 546194894 /nfs/dbraw/zinc/19/48/94/546194894.db2.gz APKKKRLTLOINRP-UHFFFAOYSA-N 1 0 303.356 3.356 10 0 DGAERO CN(C)[C@@H](C[NH2+][C@H]1CCCOC1)c1cccc(C(F)(F)F)c1 ZINC000186569820 546195118 /nfs/dbraw/zinc/19/51/18/546195118.db2.gz FCPSXBCTRAZSPI-GJZGRUSLSA-N 1 0 316.367 3.077 10 0 DGAERO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cccc2cnccc21 ZINC000188931613 546208767 /nfs/dbraw/zinc/20/87/67/546208767.db2.gz KNGYHRBEYYOXHW-LJQANCHMSA-N 1 0 306.409 3.236 10 0 DGAERO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2C)cnn1C ZINC000192180847 546229210 /nfs/dbraw/zinc/22/92/10/546229210.db2.gz VHYKYFMEMOUSOR-CQSZACIVSA-N 1 0 309.417 3.073 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Br)ccc1F ZINC000211723442 546259080 /nfs/dbraw/zinc/25/90/80/546259080.db2.gz MTDILXJMYZQXEP-JQWIXIFHSA-N 1 0 315.230 3.333 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Br)cs1 ZINC000226393512 546268143 /nfs/dbraw/zinc/26/81/43/546268143.db2.gz VWXVKZUNIASEIZ-ONGXEEELSA-N 1 0 303.269 3.255 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000227381599 546269052 /nfs/dbraw/zinc/26/90/52/546269052.db2.gz UGIQILSEWZWESB-WOSRLPQWSA-N 1 0 306.837 3.379 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)c(Br)c1 ZINC000229195321 546271736 /nfs/dbraw/zinc/27/17/36/546271736.db2.gz IXFHNNDQSRUDBN-ZFWWWQNUSA-N 1 0 312.251 3.398 10 0 DGAERO Cc1cnccc1C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000230702276 546274861 /nfs/dbraw/zinc/27/48/61/546274861.db2.gz OAGSFRSIKBEVER-CVEARBPZSA-N 1 0 319.449 3.173 10 0 DGAERO CC(=O)c1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245630173 546298184 /nfs/dbraw/zinc/29/81/84/546298184.db2.gz SEZVOFMKQIUPSB-BBRMVZONSA-N 1 0 317.433 3.144 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000246842248 546306391 /nfs/dbraw/zinc/30/63/91/546306391.db2.gz BRSNCSRGQBZOQD-JLSDUUJJSA-N 1 0 318.461 3.101 10 0 DGAERO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)(C)C ZINC000248391506 546316829 /nfs/dbraw/zinc/31/68/29/546316829.db2.gz CJBIOWYJPXGTLC-RRFJBIMHSA-N 1 0 309.498 3.373 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)COC[C@H]2CCCO2)cc1 ZINC000248499821 546317494 /nfs/dbraw/zinc/31/74/94/546317494.db2.gz SCHBAYXPSVJYQV-KFKAGJAMSA-N 1 0 321.461 3.017 10 0 DGAERO COc1ccccc1/C=C\C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000255119317 546334281 /nfs/dbraw/zinc/33/42/81/546334281.db2.gz YQTAZDHKOINHLP-KMDWOBIYSA-N 1 0 311.429 3.451 10 0 DGAERO [NH3+]C[C@H]1Cc2c(c(-c3ccc(C(=O)C4CC4)cc3)ccc2F)O1 ZINC000299762019 546434505 /nfs/dbraw/zinc/43/45/05/546434505.db2.gz ULUZSDUGIBSDDJ-CQSZACIVSA-N 1 0 311.356 3.348 10 0 DGAERO C[C@@H]1C[C@H](NCc2cscc2Br)CC[N@@H+]1C ZINC000304578270 546440791 /nfs/dbraw/zinc/44/07/91/546440791.db2.gz NRANEIGPAHVBPG-MWLCHTKSSA-N 1 0 303.269 3.083 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+]Cc1ccc3cnccc3c1)O2 ZINC000324052198 546478033 /nfs/dbraw/zinc/47/80/33/546478033.db2.gz ATHODHWYMSNXMB-KRWDZBQOSA-N 1 0 306.365 3.164 10 0 DGAERO Cc1cncc(-c2nc(C[N@@H+]3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)no2)c1 ZINC000333677942 546509897 /nfs/dbraw/zinc/50/98/97/546509897.db2.gz KKVAEDJHQFHHNQ-UEABVUSTSA-N 1 0 324.428 3.308 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000381072117 546737837 /nfs/dbraw/zinc/73/78/37/546737837.db2.gz PQSBYBLFHQJMGL-SJORKVTESA-N 1 0 312.457 3.433 10 0 DGAERO [NH3+]C1(CC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000398154691 546763040 /nfs/dbraw/zinc/76/30/40/546763040.db2.gz HVDCWRHROGOGOB-UHFFFAOYSA-N 1 0 308.425 3.139 10 0 DGAERO c1cnn(-c2ccccc2C[NH2+]Cc2scnc2C2CC2)c1 ZINC000486954228 546915384 /nfs/dbraw/zinc/91/53/84/546915384.db2.gz BMTCSXBZZKIUPU-UHFFFAOYSA-N 1 0 310.426 3.496 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cc(F)ccc1F ZINC000675055737 548148596 /nfs/dbraw/zinc/14/85/96/548148596.db2.gz XDJXATFFYGNJLC-SMDDNHRTSA-N 1 0 312.360 3.364 10 0 DGAERO CC(C)(C)OC(=O)NC1(C)CCC2(CC1)[NH2+]CCc1ccoc12 ZINC000725242788 549811271 /nfs/dbraw/zinc/81/12/71/549811271.db2.gz UBYDXDNHFUSVNB-UHFFFAOYSA-N 1 0 320.433 3.478 10 0 DGAERO CC[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)[NH2+]CCc2sccc21 ZINC000716165182 563465201 /nfs/dbraw/zinc/46/52/01/563465201.db2.gz URABALNDMXEHIO-KRWDZBQOSA-N 1 0 322.474 3.366 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]2(C1)[NH2+]CCc1occc12 ZINC000724109423 563496163 /nfs/dbraw/zinc/49/61/63/563496163.db2.gz GKUQSAQGJVWGPX-FZKQIMNGSA-N 1 0 320.433 3.336 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]2(C1)[NH2+]CCc1occc12 ZINC000724109428 563496505 /nfs/dbraw/zinc/49/65/05/563496505.db2.gz GKUQSAQGJVWGPX-UGSOOPFHSA-N 1 0 320.433 3.336 10 0 DGAERO Cc1cc(C[NH2+][C@H]2COC[C@H]2C2CC2)ccc1Br ZINC000725269644 563575212 /nfs/dbraw/zinc/57/52/12/563575212.db2.gz OVBCPNLTSVESKA-ZFWWWQNUSA-N 1 0 310.235 3.272 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)-c2ccccc2C3)C1 ZINC000730937370 574539352 /nfs/dbraw/zinc/53/93/52/574539352.db2.gz RTTFMLHGJZKEGN-OAHLLOKOSA-N 1 0 320.436 3.329 10 0 DGAERO CCOC(=O)c1cn(C[N@H+](CC)CC(C)C)nc1C(F)(F)F ZINC000731494768 574550921 /nfs/dbraw/zinc/55/09/21/574550921.db2.gz HNDDNOROBUEXDR-UHFFFAOYSA-N 1 0 321.343 3.014 10 0 DGAERO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000731676339 574556502 /nfs/dbraw/zinc/55/65/02/574556502.db2.gz MOYIFKGJQMRYNB-RTBURBONSA-N 1 0 306.409 3.377 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cccc(F)c2F)C1 ZINC000675052773 563855998 /nfs/dbraw/zinc/85/59/98/563855998.db2.gz DYZOUXSBCBDDPV-GXFFZTMASA-N 1 0 312.360 3.283 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2F)C1 ZINC000675053554 563860408 /nfs/dbraw/zinc/86/04/08/563860408.db2.gz IYLFPHDPMPYUDD-SMDDNHRTSA-N 1 0 312.360 3.283 10 0 DGAERO C/C(=C/C(=O)NCC[N@H+]1CCCC[C@H]1C)c1cccc(F)c1 ZINC000732058957 574565823 /nfs/dbraw/zinc/56/58/23/574565823.db2.gz YVWXSTOHTVIQBN-IKESIWSLSA-N 1 0 304.409 3.220 10 0 DGAERO C/C(=C/C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1cccc(F)c1 ZINC000732064247 574565875 /nfs/dbraw/zinc/56/58/75/574565875.db2.gz DFICWQSENTWQDT-KQGZCTBQSA-N 1 0 304.409 3.076 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc(F)c1 ZINC000732086050 574566253 /nfs/dbraw/zinc/56/62/53/574566253.db2.gz WWSWQZPXVJUKLE-XOVFHRFOSA-N 1 0 316.420 3.316 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)C(C)(C)C)CC1 ZINC000734674808 574672667 /nfs/dbraw/zinc/67/26/67/574672667.db2.gz QFNMWVPMJFJHTA-HNNXBMFYSA-N 1 0 311.514 3.432 10 0 DGAERO CC[S@](=O)CC[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000735085049 574688255 /nfs/dbraw/zinc/68/82/55/574688255.db2.gz ZVXNPZXTLZOZGS-QFIPXVFZSA-N 1 0 316.470 3.313 10 0 DGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)/C=C(\C)c1cccc(F)c1 ZINC000736101583 574730503 /nfs/dbraw/zinc/73/05/03/574730503.db2.gz LFEWKGDOHLDSKT-GWKQRERASA-N 1 0 304.409 3.220 10 0 DGAERO Brc1ccc(-c2noc(CC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000311918814 574821256 /nfs/dbraw/zinc/82/12/56/574821256.db2.gz SDKGEQNHSYCRJB-GFCCVEGCSA-N 1 0 322.206 3.184 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(C)[NH2+]CCc2ccoc21 ZINC000703041158 568414083 /nfs/dbraw/zinc/41/40/83/568414083.db2.gz VLAUYDGKMDCEIT-SUMWQHHRSA-N 1 0 306.406 3.040 10 0 DGAERO CCCCOC(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000741787588 574971139 /nfs/dbraw/zinc/97/11/39/574971139.db2.gz HHGNTMHKDUGVDA-QZTJIDSGSA-N 1 0 324.509 3.306 10 0 DGAERO COC(=O)c1ccc2c(cnn2C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000742154271 574982520 /nfs/dbraw/zinc/98/25/20/574982520.db2.gz GZQXVMPIIKUVCT-KBPBESRZSA-N 1 0 315.417 3.291 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000299873005 575252538 /nfs/dbraw/zinc/25/25/38/575252538.db2.gz SUWDHDWTYYAQON-GWONACJQSA-N 1 0 324.465 3.074 10 0 DGAERO CO[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000299873004 575252708 /nfs/dbraw/zinc/25/27/08/575252708.db2.gz SUWDHDWTYYAQON-BMRXWSCTSA-N 1 0 324.465 3.074 10 0 DGAERO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000393601701 575904598 /nfs/dbraw/zinc/90/45/98/575904598.db2.gz UNEDRMPXMJHGFD-APWZRJJASA-N 1 0 302.462 3.198 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)C1 ZINC000223834634 575927821 /nfs/dbraw/zinc/92/78/21/575927821.db2.gz MDZNXQPXUHXUAC-RYUDHWBXSA-N 1 0 317.260 3.365 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccc(F)c(Br)c1 ZINC000393977547 575936446 /nfs/dbraw/zinc/93/64/46/575936446.db2.gz YJWZUGZVXWROOL-RKDXNWHRSA-N 1 0 304.203 3.398 10 0 DGAERO Fc1cccc(Br)c1C[NH2+]CC[C@H]1CCCO1 ZINC000394846821 575946384 /nfs/dbraw/zinc/94/63/84/575946384.db2.gz PGVFKFVSFQVWEQ-SNVBAGLBSA-N 1 0 302.187 3.247 10 0 DGAERO C[C@]1(C[NH2+]Cc2nccs2)CCCN1Cc1ccccc1 ZINC000397879718 575958790 /nfs/dbraw/zinc/95/87/90/575958790.db2.gz MAMIHSXKEUCNNN-QGZVFWFLSA-N 1 0 301.459 3.287 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000238853268 575999008 /nfs/dbraw/zinc/99/90/08/575999008.db2.gz IWJGXWXLGKKCJJ-DZGCQCFKSA-N 1 0 308.397 3.125 10 0 DGAERO COC(=O)c1ccc2c(cnn2C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000728197381 576168507 /nfs/dbraw/zinc/16/85/07/576168507.db2.gz WRJIIZVRYKLAPX-INIZCTEOSA-N 1 0 313.401 3.045 10 0 DGAERO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](C)CC2)C1 ZINC000728199070 576168933 /nfs/dbraw/zinc/16/89/33/576168933.db2.gz RZEZTNAYLYWXFP-DOTOQJQBSA-N 1 0 300.446 3.390 10 0 DGAERO C[N@H+](CCn1cccn1)Cc1cc(Cl)nc2ccccc12 ZINC000154671608 620702424 /nfs/dbraw/zinc/70/24/24/620702424.db2.gz FOCQBTSHVCJTHP-UHFFFAOYSA-N 1 0 300.793 3.217 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)C1(C)C ZINC000300204754 617635889 /nfs/dbraw/zinc/63/58/89/617635889.db2.gz OTUHUOXNDDWULQ-BFHYXJOUSA-N 1 0 314.470 3.083 10 0 DGAERO O=C(OCCC(F)(F)F)[C@@H]1CCCN1Cc1ccccc1 ZINC000111673472 620746771 /nfs/dbraw/zinc/74/67/71/620746771.db2.gz OEVQASSURJBXOX-ZDUSSCGKSA-N 1 0 301.308 3.147 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccnc(Cl)c1 ZINC000151739950 620472193 /nfs/dbraw/zinc/47/21/93/620472193.db2.gz GLAZNQPYVMMFAG-LFAOLKIESA-N 1 0 321.852 3.129 10 0 DGAERO Cc1nc(C)c(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000117100279 621351740 /nfs/dbraw/zinc/35/17/40/621351740.db2.gz GEWSENOXUBEZOY-HNNXBMFYSA-N 1 0 316.426 3.191 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnc(Cl)c(C)c2)[C@H](C)C1 ZINC000120945426 622059731 /nfs/dbraw/zinc/05/97/31/622059731.db2.gz PMHKQZVWJAXZTJ-TZMCWYRMSA-N 1 0 324.856 3.237 10 0 DGAERO C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000123897021 622747963 /nfs/dbraw/zinc/74/79/63/622747963.db2.gz DOZGRVGKBGWZCM-ISVAXAHUSA-N 1 0 301.217 3.298 10 0 DGAERO CC(=O)OC1CC[NH+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000129391392 625606303 /nfs/dbraw/zinc/60/63/03/625606303.db2.gz FPVCJYPQDOIIRG-UHFFFAOYSA-N 1 0 318.804 3.416 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cc2ccccc2s1 ZINC000126634031 623970610 /nfs/dbraw/zinc/97/06/10/623970610.db2.gz YNAPZQBAEJLCBF-AAEUAGOBSA-N 1 0 309.456 3.129 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000126741925 624063893 /nfs/dbraw/zinc/06/38/93/624063893.db2.gz LGGVVWMIWJSLGS-KOLCDFICSA-N 1 0 322.257 3.221 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cc(Cl)ccc1Cl ZINC000126745745 624065066 /nfs/dbraw/zinc/06/50/66/624065066.db2.gz VKQCDYZXPHNGHY-MWLCHTKSSA-N 1 0 322.257 3.221 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCCCCCC2)[C@H](C)C1 ZINC000127785181 624563216 /nfs/dbraw/zinc/56/32/16/624563216.db2.gz RSEHUWKEEXAQBQ-WBVHZDCISA-N 1 0 309.498 3.471 10 0 DGAERO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000130384418 625844756 /nfs/dbraw/zinc/84/47/56/625844756.db2.gz JUSUVNRUAHYNDJ-GIPWTMENSA-N 1 0 310.850 3.087 10 0 DGAERO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCSC1 ZINC000131451832 626640185 /nfs/dbraw/zinc/64/01/85/626640185.db2.gz SUMCSAATIXTHRQ-ZIAGYGMSSA-N 1 0 316.511 3.411 10 0 DGAERO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000131992114 626691844 /nfs/dbraw/zinc/69/18/44/626691844.db2.gz MQMKOINMDZOFAW-MSOLQXFVSA-N 1 0 317.429 3.011 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000132047341 626696162 /nfs/dbraw/zinc/69/61/62/626696162.db2.gz CRPTXRHQLBBIBL-RBUKOAKNSA-N 1 0 311.425 3.266 10 0 DGAERO Cc1cc(C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])ccc1Cl ZINC000757144098 626751591 /nfs/dbraw/zinc/75/15/91/626751591.db2.gz HTSLSZZERWKWIO-DZGCQCFKSA-N 1 0 324.852 3.385 10 0 DGAERO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000886081985 627100297 /nfs/dbraw/zinc/10/02/97/627100297.db2.gz PSTQFFSNBJRDNB-YQQAZPJKSA-N 1 0 314.433 3.035 10 0 DGAERO CC(C)(C)OC(=O)N(CCC[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000219465615 627147818 /nfs/dbraw/zinc/14/78/18/627147818.db2.gz KGCALLASZKXXMI-CYBMUJFWSA-N 1 0 314.495 3.261 10 0 DGAERO COc1ccc(C)cc1C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C ZINC000221048038 627213227 /nfs/dbraw/zinc/21/32/27/627213227.db2.gz ZUJJUYIGPYODBC-UHFFFAOYSA-N 1 0 322.449 3.397 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000300399628 627266239 /nfs/dbraw/zinc/26/62/39/627266239.db2.gz ZUOXFOABRGNMKW-MJBXVCDLSA-N 1 0 323.437 3.470 10 0 DGAERO C[C@H](CC(F)(F)F)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000223376801 627287916 /nfs/dbraw/zinc/28/79/16/627287916.db2.gz UOTAXPQTCGUAQK-GHMZBOCLSA-N 1 0 310.360 3.316 10 0 DGAERO CC(C)Oc1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1 ZINC000105433562 630710163 /nfs/dbraw/zinc/71/01/63/630710163.db2.gz UDIOPPYRJLVUKC-UHFFFAOYSA-N 1 0 322.449 3.478 10 0 DGAERO CCc1ccc([C@@H](COC)[NH2+]C[C@H](O)c2cc(C)cc(C)c2)o1 ZINC000184817181 660188746 /nfs/dbraw/zinc/18/87/46/660188746.db2.gz DENCOOLLLOSOKK-MSOLQXFVSA-N 1 0 317.429 3.470 10 0 DGAERO CCc1ccc([C@H](COC)[NH2+]C[C@H](O)c2cc(C)cc(C)c2)o1 ZINC000184817201 660188786 /nfs/dbraw/zinc/18/87/86/660188786.db2.gz DENCOOLLLOSOKK-ROUUACIJSA-N 1 0 317.429 3.470 10 0 DGAERO CC(C)C[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000185041645 660200351 /nfs/dbraw/zinc/20/03/51/660200351.db2.gz ORHWVBSQEOGPCR-OAHLLOKOSA-N 1 0 303.450 3.059 10 0 DGAERO Cc1cnc([C@@H]([NH2+]C[C@](C)(O)c2ccccc2)C2CC2)s1 ZINC000185344086 660217004 /nfs/dbraw/zinc/21/70/04/660217004.db2.gz URJDQPRAFKLBCP-RDJZCZTQSA-N 1 0 302.443 3.400 10 0 DGAERO COc1ccc2c(C[N@@H+]3C[C@H](C)CC[C@@H]3C)cc(=O)oc2c1 ZINC000174008233 659409676 /nfs/dbraw/zinc/40/96/76/659409676.db2.gz WODMZIIDKONDPU-OLZOCXBDSA-N 1 0 301.386 3.422 10 0 DGAERO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(Br)s2)C1 ZINC000721277654 659915987 /nfs/dbraw/zinc/91/59/87/659915987.db2.gz YQWRZGBPLQGJAV-NXEZZACHSA-N 1 0 319.268 3.343 10 0 DGAERO COC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000188645596 660327950 /nfs/dbraw/zinc/32/79/50/660327950.db2.gz JCNQCUIIZGFUAN-HOTGVXAUSA-N 1 0 318.461 3.322 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cncc(F)c1 ZINC000721926982 660443943 /nfs/dbraw/zinc/44/39/43/660443943.db2.gz UWDDTBUWVCTUOB-TYNCELHUSA-N 1 0 323.412 3.127 10 0 DGAERO COC[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000721941801 660453670 /nfs/dbraw/zinc/45/36/70/660453670.db2.gz OQZRQAXDYRPLMI-GOSISDBHSA-N 1 0 304.478 3.159 10 0 DGAERO C[C@H](c1cccc(F)c1)N1CC[NH+](CCCCCCO)CC1 ZINC000091689395 660454329 /nfs/dbraw/zinc/45/43/29/660454329.db2.gz VRINHEKINGKZDY-MRXNPFEDSA-N 1 0 308.441 3.057 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000186750233 660573179 /nfs/dbraw/zinc/57/31/79/660573179.db2.gz HCTUGNCXLYEONH-ONGXEEELSA-N 1 0 308.834 3.283 10 0 DGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000228793220 660592370 /nfs/dbraw/zinc/59/23/70/660592370.db2.gz CVBCUDCHORTCRC-KGLIPLIRSA-N 1 0 314.495 3.261 10 0 DGAERO CCC(F)(F)C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000700201231 660616076 /nfs/dbraw/zinc/61/60/76/660616076.db2.gz CEXBPHBRMIWXEL-NEPJUHHUSA-N 1 0 306.397 3.315 10 0 DGAERO CCC(F)(F)C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000700202860 660615976 /nfs/dbraw/zinc/61/59/76/660615976.db2.gz KCFAJRLEUAHGSA-NEPJUHHUSA-N 1 0 306.397 3.457 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccncc1 ZINC000700730993 660634061 /nfs/dbraw/zinc/63/40/61/660634061.db2.gz VZZIMFPXNATDPN-VNHYZAJKSA-N 1 0 305.422 3.130 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000700760681 660636083 /nfs/dbraw/zinc/63/60/83/660636083.db2.gz DISCZLRLOCUCFE-MELADBBJSA-N 1 0 314.470 3.178 10 0 DGAERO CC(C)(C)OC(=O)NC1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000701937204 660693198 /nfs/dbraw/zinc/69/31/98/660693198.db2.gz WYFHTZRWVJTRDJ-PNESKVBLSA-N 1 0 318.408 3.457 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000701955260 660693426 /nfs/dbraw/zinc/69/34/26/660693426.db2.gz LWEAQVIJFXSVJR-XQQFMLRXSA-N 1 0 318.408 3.267 10 0 DGAERO CCC(CC)c1noc([C@@H](N)C[N@H+](C)Cc2ccccc2)n1 ZINC000702190886 660715203 /nfs/dbraw/zinc/71/52/03/660715203.db2.gz YBEPOBCCRJIXEI-HNNXBMFYSA-N 1 0 302.422 3.105 10 0 DGAERO C[C@H](F)CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000702639725 660732840 /nfs/dbraw/zinc/73/28/40/660732840.db2.gz XHMMVCKFMRMRCI-ZQDZILKHSA-N 1 0 314.445 3.360 10 0 DGAERO C[C@@]1(C[NH2+]C2CCC(C)(O)CC2)CCCN1Cc1ccccc1 ZINC000702994042 660752048 /nfs/dbraw/zinc/75/20/48/660752048.db2.gz MKOXCZFZXYPNKR-GPJFCIFZSA-N 1 0 316.489 3.324 10 0 DGAERO C[C@@H]1[C@H]([NH2+]CCC2SCCS2)CCN1Cc1ccccc1 ZINC000703346262 660777431 /nfs/dbraw/zinc/77/74/31/660777431.db2.gz DKFTVZXMQQHYOD-GDBMZVCRSA-N 1 0 322.543 3.435 10 0 DGAERO Cc1cc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C)ccn1 ZINC000703504886 660779820 /nfs/dbraw/zinc/77/98/20/660779820.db2.gz WYACTIQJIZOVSL-HNNXBMFYSA-N 1 0 307.438 3.029 10 0 DGAERO Cc1cc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C)ccn1 ZINC000703508068 660780136 /nfs/dbraw/zinc/78/01/36/660780136.db2.gz KFONSFSXOXLQBX-INIZCTEOSA-N 1 0 321.465 3.419 10 0 DGAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C2 ZINC000703593445 660784245 /nfs/dbraw/zinc/78/42/45/660784245.db2.gz GEBPFUQIPMCMIK-LKFCYVNXSA-N 1 0 314.216 3.067 10 0 DGAERO c1ccc(CN2CCCCC[C@@H]([NH2+]Cc3cncnc3)C2)cc1 ZINC000709646728 660925583 /nfs/dbraw/zinc/92/55/83/660925583.db2.gz QZBJAMSNNYSTBE-LJQANCHMSA-N 1 0 310.445 3.011 10 0 DGAERO CC[C@@H](C[NH2+][C@@H]1CCCSCC1)NC(=O)OC(C)(C)C ZINC000709562654 660929345 /nfs/dbraw/zinc/92/93/45/660929345.db2.gz QSAQWZONCGEPKD-QWHCGFSZSA-N 1 0 302.484 3.165 10 0 DGAERO Cc1nn(C)c(C[NH2+][C@@H]2CCCC3(CC3)C2)c1Br ZINC000709989893 660931409 /nfs/dbraw/zinc/93/14/09/660931409.db2.gz ODAFYCDXEOPMJZ-LLVKDONJSA-N 1 0 312.255 3.303 10 0 DGAERO Fc1ccc(Br)cc1C[NH2+]CCc1ccns1 ZINC000709983572 660931446 /nfs/dbraw/zinc/93/14/46/660931446.db2.gz JFRMNYREZWIOKL-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO CC(C)[C@@H](CC[NH2+][C@H](C)c1cn(C)cn1)NC(=O)OC(C)(C)C ZINC000709910639 660931571 /nfs/dbraw/zinc/93/15/71/660931571.db2.gz LHODJOWVVJUINP-ZIAGYGMSSA-N 1 0 324.469 3.010 10 0 DGAERO C[C@@H](c1cccc(Cl)c1)N1CCc2sc(C[NH3+])nc2C1 ZINC000710240406 660932491 /nfs/dbraw/zinc/93/24/91/660932491.db2.gz QIDYCAOREIRYCA-JTQLQIEISA-N 1 0 307.850 3.375 10 0 DGAERO Cc1scc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC000710917381 660936813 /nfs/dbraw/zinc/93/68/13/660936813.db2.gz MTYAMMVOLBAPIQ-UHFFFAOYSA-N 1 0 310.463 3.321 10 0 DGAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711292399 660945487 /nfs/dbraw/zinc/94/54/87/660945487.db2.gz GQVLZOGZZBORDV-ZTNFWEORSA-N 1 0 312.457 3.346 10 0 DGAERO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000711354430 660948202 /nfs/dbraw/zinc/94/82/02/660948202.db2.gz BGHMKYKUMULRAY-INIZCTEOSA-N 1 0 324.424 3.450 10 0 DGAERO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000711358220 660948302 /nfs/dbraw/zinc/94/83/02/660948302.db2.gz FRTOZZCAIIUQHO-NSHDSACASA-N 1 0 300.374 3.185 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000711390976 660949264 /nfs/dbraw/zinc/94/92/64/660949264.db2.gz MFJMIRNEZOEIRW-ZENOOKHLSA-N 1 0 314.495 3.165 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000711390974 660949382 /nfs/dbraw/zinc/94/93/82/660949382.db2.gz MFJMIRNEZOEIRW-DVOMOZLQSA-N 1 0 314.495 3.165 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000711410393 660950731 /nfs/dbraw/zinc/95/07/31/660950731.db2.gz KSDHKHBBAYGRCJ-UHFFFAOYSA-N 1 0 318.408 3.457 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCCC(F)(F)F)C1 ZINC000711441761 660953034 /nfs/dbraw/zinc/95/30/34/660953034.db2.gz ZREACMHEECCWPW-UHFFFAOYSA-N 1 0 310.360 3.222 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCSC(C)(C)C)C1 ZINC000711459658 660953954 /nfs/dbraw/zinc/95/39/54/660953954.db2.gz NBSOXXUVNVOHII-BETUJISGSA-N 1 0 316.511 3.411 10 0 DGAERO C[C@@H](C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000711480903 660954643 /nfs/dbraw/zinc/95/46/43/660954643.db2.gz UIBTZSIXJTVZDZ-SOUVJXGZSA-N 1 0 319.449 3.078 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H]2CCCSCC2)C1 ZINC000711505724 660955467 /nfs/dbraw/zinc/95/54/67/660955467.db2.gz NOAZWESJWVNYRS-ROKHWSDSSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@@H](C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)CC(F)F ZINC000711506755 660955989 /nfs/dbraw/zinc/95/59/89/660955989.db2.gz NVJDFEOXRAWVLH-UTUOFQBUSA-N 1 0 306.397 3.171 10 0 DGAERO Nc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711568797 660957868 /nfs/dbraw/zinc/95/78/68/660957868.db2.gz XQTVOCGGHQTGOM-AOOOYVTPSA-N 1 0 303.258 3.370 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000254974335 655551822 /nfs/dbraw/zinc/55/18/22/655551822.db2.gz CYOKUCORVJOLSF-JBXOJTMHSA-N 1 0 318.436 3.466 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000255026798 655563979 /nfs/dbraw/zinc/56/39/79/655563979.db2.gz WQZBZESTUORQIO-XBNGYDHASA-N 1 0 318.436 3.323 10 0 DGAERO C#CCCCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000090397609 655592315 /nfs/dbraw/zinc/59/23/15/655592315.db2.gz VLDBRDSLKDEVOD-ZDUSSCGKSA-N 1 0 302.809 3.375 10 0 DGAERO O=C(/C=C\c1ccccc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000255115846 655601356 /nfs/dbraw/zinc/60/13/56/655601356.db2.gz YFALVSNRHQPRDQ-CDNLZTBQSA-N 1 0 304.821 3.050 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000255123838 655604917 /nfs/dbraw/zinc/60/49/17/655604917.db2.gz KHMUNZVIKJICFU-XHTKRDSESA-N 1 0 304.821 3.048 10 0 DGAERO COC(OC)[C@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000079605619 655611141 /nfs/dbraw/zinc/61/11/41/655611141.db2.gz VOMRCVOMMIATSV-VIFPVBQESA-N 1 0 309.353 3.396 10 0 DGAERO CCc1cnc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000234251899 655656286 /nfs/dbraw/zinc/65/62/86/655656286.db2.gz OYHIMNPPBVSKCP-TZMCWYRMSA-N 1 0 323.437 3.020 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000187933884 655671547 /nfs/dbraw/zinc/67/15/47/655671547.db2.gz ZVICADVTMMDJMV-XHDPSFHLSA-N 1 0 312.797 3.231 10 0 DGAERO c1ccc2c(c1)C[C@@H](c1nc(C[C@@H]3CCC[NH2+]C3)no1)S2 ZINC000092233935 655693377 /nfs/dbraw/zinc/69/33/77/655693377.db2.gz INHVDQQGXJSKOU-FZMZJTMJSA-N 1 0 301.415 3.001 10 0 DGAERO C/C(=C/C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000255311586 655697441 /nfs/dbraw/zinc/69/74/41/655697441.db2.gz RLRYQDXZNSSOIM-DDKJEQMHSA-N 1 0 304.821 3.050 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1F ZINC000723594671 655703706 /nfs/dbraw/zinc/70/37/06/655703706.db2.gz NPWCSMJGANGFLJ-RKDXNWHRSA-N 1 0 319.207 3.261 10 0 DGAERO C[C@@H]([NH2+]Cc1ncc(I)s1)C1(C)CC1 ZINC000308550324 655708679 /nfs/dbraw/zinc/70/86/79/655708679.db2.gz XFUUTDOHKSSTBH-SSDOTTSWSA-N 1 0 322.215 3.026 10 0 DGAERO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723645935 655711410 /nfs/dbraw/zinc/71/14/10/655711410.db2.gz ZDMHDMBVAQGKIG-GSEOLPGOSA-N 1 0 316.489 3.302 10 0 DGAERO CC(C)(C[NH2+]Cc1cc(Cl)ccc1Cl)CS(C)(=O)=O ZINC000723881818 655728495 /nfs/dbraw/zinc/72/84/95/655728495.db2.gz FWLQGYMXBWCOFU-UHFFFAOYSA-N 1 0 324.273 3.154 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000176057546 655728769 /nfs/dbraw/zinc/72/87/69/655728769.db2.gz CCIRSFGJTSDEHN-XDPMZMSMSA-N 1 0 304.409 3.077 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000723987296 655733418 /nfs/dbraw/zinc/73/34/18/655733418.db2.gz MEQIWYOQKTYJSL-FHWLQOOXSA-N 1 0 302.462 3.056 10 0 DGAERO CC[C@H]([NH2+]Cc1ccncc1Br)[C@H]1CCCOC1 ZINC000724012814 655736336 /nfs/dbraw/zinc/73/63/36/655736336.db2.gz QCPINWMOPVWBHK-JSGCOSHPSA-N 1 0 313.239 3.139 10 0 DGAERO CC[C@H]([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCCOC1 ZINC000724013573 655736355 /nfs/dbraw/zinc/73/63/55/655736355.db2.gz XCOLLNISBUKZIC-KBXIAJHMSA-N 1 0 314.470 3.083 10 0 DGAERO CC[C@@H]([NH2+]Cc1occc1Br)[C@H]1CCCOC1 ZINC000724015514 655736937 /nfs/dbraw/zinc/73/69/37/655736937.db2.gz VGBWMYHFDPUGBO-CMPLNLGQSA-N 1 0 302.212 3.337 10 0 DGAERO C[C@@](O)(C[NH2+][C@H]1CCCC2(CC2)C1)C(F)(F)C(F)(F)F ZINC000724078082 655740129 /nfs/dbraw/zinc/74/01/29/655740129.db2.gz KDVHFUPOUTZHAT-VHSXEESVSA-N 1 0 301.299 3.247 10 0 DGAERO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724106438 655742032 /nfs/dbraw/zinc/74/20/32/655742032.db2.gz UZAZILTVFYMQIK-GYIHNLGQSA-N 1 0 301.299 3.198 10 0 DGAERO COc1nsc(C[NH2+]CCC2CC=CC2)c1Br ZINC000724193087 655748063 /nfs/dbraw/zinc/74/80/63/655748063.db2.gz CGLMGHVJCDMUOC-UHFFFAOYSA-N 1 0 317.252 3.360 10 0 DGAERO Cn1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(Br)n1 ZINC000712418598 661188173 /nfs/dbraw/zinc/18/81/73/661188173.db2.gz AEDNOYSRZZYIQP-UHFFFAOYSA-N 1 0 324.266 3.241 10 0 DGAERO C[C@@H]([NH2+]Cc1cn(C)nc1Br)C1CCCCC1 ZINC000712468667 661188484 /nfs/dbraw/zinc/18/84/84/661188484.db2.gz BNVQQQPJZNKCTB-SNVBAGLBSA-N 1 0 300.244 3.241 10 0 DGAERO Cn1cc(C[NH2+]C[C@H]2CCCCC2(F)F)c(Br)n1 ZINC000712489987 661189073 /nfs/dbraw/zinc/18/90/73/661189073.db2.gz DUFMDTPPCDUIHN-SNVBAGLBSA-N 1 0 322.197 3.098 10 0 DGAERO Cc1cc(N2CC[N@@H+](C)C(C)(C)CC2)ncc1Br ZINC000712631157 661189413 /nfs/dbraw/zinc/18/94/13/661189413.db2.gz CCIQWSXYHPDQFI-UHFFFAOYSA-N 1 0 312.255 3.073 10 0 DGAERO CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000712571581 661189538 /nfs/dbraw/zinc/18/95/38/661189538.db2.gz JMCTYOARHFNMGV-ZJUUUORDSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000712740842 661189549 /nfs/dbraw/zinc/18/95/49/661189549.db2.gz IVPCYRFPVNCABT-XPKDYRNWSA-N 1 0 308.466 3.268 10 0 DGAERO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000156646150 655814174 /nfs/dbraw/zinc/81/41/74/655814174.db2.gz GKIWHESDCWRVIN-LLVKDONJSA-N 1 0 304.203 3.085 10 0 DGAERO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CCO1 ZINC000721527496 655815831 /nfs/dbraw/zinc/81/58/31/655815831.db2.gz HBVSESNVVKYKHE-QYZOEREBSA-N 1 0 316.489 3.444 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000724917748 655829517 /nfs/dbraw/zinc/82/95/17/655829517.db2.gz LYBQTARPHCKFKX-YDGIUTOCSA-N 1 0 316.626 3.106 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000724975186 655841268 /nfs/dbraw/zinc/84/12/68/655841268.db2.gz MDUVQLHNCPMAIT-KZWUZYHLSA-N 1 0 322.246 3.198 10 0 DGAERO Cn1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(Br)n1 ZINC000713828995 661194569 /nfs/dbraw/zinc/19/45/69/661194569.db2.gz PWUPGMLFTGMKGW-ZDUSSCGKSA-N 1 0 320.234 3.172 10 0 DGAERO C[N@H+](Cc1ccccc1)C1(CNCc2cncnc2)CCCCC1 ZINC000714234911 661197682 /nfs/dbraw/zinc/19/76/82/661197682.db2.gz FFZNHXNSBLMONN-UHFFFAOYSA-N 1 0 324.472 3.401 10 0 DGAERO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Cl)ccc1Cl ZINC000714250473 661198149 /nfs/dbraw/zinc/19/81/49/661198149.db2.gz NGPDNCGGAVCOCY-FBIMIBRVSA-N 1 0 322.257 3.220 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714362391 661198714 /nfs/dbraw/zinc/19/87/14/661198714.db2.gz XTQNTUKPYNYHGF-QXSJWSMHSA-N 1 0 301.496 3.004 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccc(Cl)o1)N(C)C(=O)OC(C)(C)C ZINC000309859987 655885219 /nfs/dbraw/zinc/88/52/19/655885219.db2.gz HMOHCSVMXQZKJG-JTQLQIEISA-N 1 0 302.802 3.278 10 0 DGAERO CC[C@H](CC1CCCCC1)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714338622 661198924 /nfs/dbraw/zinc/19/89/24/661198924.db2.gz ONGUECCPBUJBKQ-HZPDHXFCSA-N 1 0 301.496 3.292 10 0 DGAERO CC[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000714366027 661199363 /nfs/dbraw/zinc/19/93/63/661199363.db2.gz NTJRVJONULIQFV-LSDHHAIUSA-N 1 0 315.866 3.348 10 0 DGAERO CC[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cccc(Cl)c1 ZINC000714364942 661199377 /nfs/dbraw/zinc/19/93/77/661199377.db2.gz KANRVALLDHKPKW-HUUCEWRRSA-N 1 0 315.866 3.348 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000714622662 661200160 /nfs/dbraw/zinc/20/01/60/661200160.db2.gz AOHUWLBTENYCBY-XEGUGMAKSA-N 1 0 310.235 3.451 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1c2cccc3cccc(c23)C1=O ZINC000177163647 655915877 /nfs/dbraw/zinc/91/58/77/655915877.db2.gz UGKVMNUZTVCAGT-INIZCTEOSA-N 1 0 323.440 3.174 10 0 DGAERO S=C1OCCN1C[NH2+]C1(c2ccc(Cl)cc2)CCCC1 ZINC000066079118 655930940 /nfs/dbraw/zinc/93/09/40/655930940.db2.gz BSJBNNBNKHEGID-UHFFFAOYSA-N 1 0 310.850 3.274 10 0 DGAERO Cc1cnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000235999496 655939834 /nfs/dbraw/zinc/93/98/34/655939834.db2.gz HAHNIXVCFUSXJY-AGUYFDCRSA-N 1 0 321.421 3.003 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2CCN(C)[C@H]2C)cc1Br ZINC000719642662 655948881 /nfs/dbraw/zinc/94/88/81/655948881.db2.gz CQYSSQVXBUWVKD-QPUJVOFHSA-N 1 0 303.269 3.001 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000715705095 661213738 /nfs/dbraw/zinc/21/37/38/661213738.db2.gz YVWGKTKDDXQCOV-WDEREUQCSA-N 1 0 313.829 3.126 10 0 DGAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cncc(F)c1 ZINC000715097888 661208166 /nfs/dbraw/zinc/20/81/66/661208166.db2.gz VZDHBWZODTZRBY-BZUNDVKYSA-N 1 0 323.412 3.175 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccccc1Cl ZINC000255916740 655966576 /nfs/dbraw/zinc/96/65/76/655966576.db2.gz IVDSGYRCXQUVEB-SELBCVKXSA-N 1 0 318.848 3.438 10 0 DGAERO C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1cc(Cl)ccc1Cl ZINC000715219961 661209217 /nfs/dbraw/zinc/20/92/17/661209217.db2.gz NGPDNCGGAVCOCY-PUSIOWJLSA-N 1 0 322.257 3.220 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(Cl)cn1)NC(=O)OC(C)(C)C ZINC000715725437 661214143 /nfs/dbraw/zinc/21/41/43/661214143.db2.gz ZEJLKGRBFZVTMR-LLVKDONJSA-N 1 0 313.829 3.128 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000715132193 661209814 /nfs/dbraw/zinc/20/98/14/661209814.db2.gz NOAZWESJWVNYRS-MGPQQGTHSA-N 1 0 314.495 3.165 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000181386610 655987620 /nfs/dbraw/zinc/98/76/20/655987620.db2.gz TYGXYRYUHYGMNX-FZMZJTMJSA-N 1 0 306.793 3.128 10 0 DGAERO C[C@@H](C[NH2+]C1CC(c2ccccc2F)C1)CC1(C)OCCO1 ZINC000715952019 661216215 /nfs/dbraw/zinc/21/62/15/661216215.db2.gz FOFNRHPBBHIBCO-WLYUNCDWSA-N 1 0 307.409 3.451 10 0 DGAERO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@]1(C)CCCS1 ZINC000309709812 656042872 /nfs/dbraw/zinc/04/28/72/656042872.db2.gz JLEVPBUMVZXFIH-DOMZBBRYSA-N 1 0 302.484 3.023 10 0 DGAERO O[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)c1ccc(F)cc1 ZINC000716284356 661221255 /nfs/dbraw/zinc/22/12/55/661221255.db2.gz KOFRAOVTSGTPQO-CTWPCTMYSA-N 1 0 315.388 3.197 10 0 DGAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCc1ccccc1 ZINC000309864586 656089999 /nfs/dbraw/zinc/08/99/99/656089999.db2.gz KZRPHGSQDLNFQQ-DOTOQJQBSA-N 1 0 318.461 3.464 10 0 DGAERO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000181468645 656099259 /nfs/dbraw/zinc/09/92/59/656099259.db2.gz AUXNVWGFJFODMS-NHYWBVRUSA-N 1 0 312.797 3.231 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2ccnc(SC(C)(C)C)c2)CC1 ZINC000181669751 656100217 /nfs/dbraw/zinc/10/02/17/656100217.db2.gz DSZQMRVUHGGQOC-UHFFFAOYSA-N 1 0 321.490 3.138 10 0 DGAERO C[C@@H]([NH3+])c1nc(-c2nc([C@@H]3CCC(F)(F)C3)no2)cs1 ZINC000312152740 656102206 /nfs/dbraw/zinc/10/22/06/656102206.db2.gz ATXBNUIMNZKDLM-RNFRBKRXSA-N 1 0 300.334 3.116 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183247855 656111462 /nfs/dbraw/zinc/11/14/62/656111462.db2.gz PMACXJZOXOTCAK-JZLODUJNSA-N 1 0 317.429 3.183 10 0 DGAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@]1(C)CCCS1 ZINC000309709819 656116670 /nfs/dbraw/zinc/11/66/70/656116670.db2.gz JLEVPBUMVZXFIH-SWLSCSKDSA-N 1 0 302.484 3.023 10 0 DGAERO Cc1cc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)on1 ZINC000716648900 661226121 /nfs/dbraw/zinc/22/61/21/661226121.db2.gz FTBUNNVGNPFHLH-BZSNNMDCSA-N 1 0 311.429 3.126 10 0 DGAERO O[C@H](CC[NH2+]Cc1ccc(SC(F)(F)F)cc1)C(F)F ZINC000716717543 661227906 /nfs/dbraw/zinc/22/79/06/661227906.db2.gz RHMJPVWFACJMID-SNVBAGLBSA-N 1 0 315.307 3.404 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(F)cc1Br ZINC000716885676 661230095 /nfs/dbraw/zinc/23/00/95/661230095.db2.gz NXKUBDLSOYIHFB-CABZTGNLSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)ccc1F ZINC000716884042 661230172 /nfs/dbraw/zinc/23/01/72/661230172.db2.gz HHSSPDHUCXMSPC-BXKDBHETSA-N 1 0 304.203 3.227 10 0 DGAERO Cc1nc(Cl)ccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000194697181 656204029 /nfs/dbraw/zinc/20/40/29/656204029.db2.gz WJFUUUJPWIRJHB-UHFFFAOYSA-N 1 0 324.856 3.285 10 0 DGAERO [NH3+][C@@H]1CN(C[C@@H]2CCCCC2(F)F)CC[C@H]1C(F)(F)F ZINC000717125906 661250602 /nfs/dbraw/zinc/25/06/02/661250602.db2.gz JNGHMKCDZDVEFG-HBNTYKKESA-N 1 0 300.315 3.023 10 0 DGAERO C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717093624 661247442 /nfs/dbraw/zinc/24/74/42/661247442.db2.gz IKOAVMXRDPWVES-FRRDWIJNSA-N 1 0 318.408 3.124 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000178443535 656322380 /nfs/dbraw/zinc/32/23/80/656322380.db2.gz YNYFNUFTMWLIAK-SJORKVTESA-N 1 0 301.361 3.145 10 0 DGAERO [NH3+][C@H]1CN(Cc2ccc(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000717147345 661255814 /nfs/dbraw/zinc/25/58/14/661255814.db2.gz GTRNSVOGYGPLIK-PWSUYJOCSA-N 1 0 310.722 3.191 10 0 DGAERO CC1(C)CO[C@@H](CC[NH2+]Cc2occc2Br)C1 ZINC000717300536 661261338 /nfs/dbraw/zinc/26/13/38/661261338.db2.gz OCDSXCPZFMRGGR-JTQLQIEISA-N 1 0 302.212 3.337 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)C2)cc1 ZINC000723633505 656496559 /nfs/dbraw/zinc/49/65/59/656496559.db2.gz PAXZWKKDXHQEDO-NMLBUPMWSA-N 1 0 314.473 3.056 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)s1 ZINC000723847541 656502284 /nfs/dbraw/zinc/50/22/84/656502284.db2.gz KFFWAATWORIGSR-UHFFFAOYSA-N 1 0 317.520 3.206 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3CCCOC3)C2)cc1 ZINC000723974563 656505775 /nfs/dbraw/zinc/50/57/75/656505775.db2.gz AICHFNFIGKFGQU-SLFFLAALSA-N 1 0 314.473 3.056 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000724059864 656507057 /nfs/dbraw/zinc/50/70/57/656507057.db2.gz UPQLQRIGKPIBMI-LALPHHSUSA-N 1 0 318.408 3.315 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000037626923 661270417 /nfs/dbraw/zinc/27/04/17/661270417.db2.gz XCXXLOJSYBOXRD-UHFFFAOYSA-N 1 0 300.374 3.457 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC000724106663 656509940 /nfs/dbraw/zinc/50/99/40/656509940.db2.gz ASRXKGJASDFFJY-AGIUHOORSA-N 1 0 318.408 3.457 10 0 DGAERO CC(C)O[C@@]1(C[NH2+]Cc2ccc(F)c(Cl)c2)CCOC1 ZINC000722357392 656511436 /nfs/dbraw/zinc/51/14/36/656511436.db2.gz PRVVFJNRRDUDFY-OAHLLOKOSA-N 1 0 301.789 3.153 10 0 DGAERO CC(C)(C)SCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000074102658 656669639 /nfs/dbraw/zinc/66/96/39/656669639.db2.gz QQSRQGNLOOXBSL-MRXNPFEDSA-N 1 0 320.502 3.471 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000317771646 656675763 /nfs/dbraw/zinc/67/57/63/656675763.db2.gz WASJDIYFXRDPCN-XKQJLSEDSA-N 1 0 300.402 3.139 10 0 DGAERO C[NH2+]C1CCN(Cc2ccc(Br)c(Cl)c2)CC1 ZINC000261544623 656906220 /nfs/dbraw/zinc/90/62/20/656906220.db2.gz DZMFWVIYGGHHSM-UHFFFAOYSA-N 1 0 317.658 3.286 10 0 DGAERO CCN1CCCC[C@@H]1C(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000248637685 657032436 /nfs/dbraw/zinc/03/24/36/657032436.db2.gz KZGGTXFXVAXZAC-IUODEOHRSA-N 1 0 301.390 3.042 10 0 DGAERO C[C@H](CN1CC[NH2+]C[C@H]1c1cccnc1)c1cccc(Cl)c1 ZINC000261797825 657104830 /nfs/dbraw/zinc/10/48/30/657104830.db2.gz GTKKZJBFYOXCLB-KDOFPFPSSA-N 1 0 315.848 3.485 10 0 DGAERO Cc1cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c2ccccc2n1 ZINC000261822002 657116064 /nfs/dbraw/zinc/11/60/64/657116064.db2.gz SJDYXEKTIDRKGK-HXUWFJFHSA-N 1 0 318.424 3.085 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000249140912 657392623 /nfs/dbraw/zinc/39/26/23/657392623.db2.gz XWXYRMLSWVKLRT-MLHJIOFPSA-N 1 0 319.445 3.396 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c2cccnc12 ZINC000249333765 657400149 /nfs/dbraw/zinc/40/01/49/657400149.db2.gz XSJXNXQHBKCPDR-LXZKKBNFSA-N 1 0 309.413 3.402 10 0 DGAERO CO[C@H]1C[C@@H](C[N@H+](C)Cc2csc(Br)c2)C1 ZINC000721838689 657423327 /nfs/dbraw/zinc/42/33/27/657423327.db2.gz JJZQJHRZXIRIGQ-JGZJWPJOSA-N 1 0 304.253 3.367 10 0 DGAERO Cc1conc1CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000720344461 657429459 /nfs/dbraw/zinc/42/94/59/657429459.db2.gz HTAYMZWRDAGIKP-GOSISDBHSA-N 1 0 313.445 3.373 10 0 DGAERO OCC[C@@H]1CN(C/C=C\c2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000096836179 657557155 /nfs/dbraw/zinc/55/71/55/657557155.db2.gz QUOSOKINFHFVDH-QKWWCAPFSA-N 1 0 314.473 3.011 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ccccc3Br)no2)C1 ZINC000097068063 657591024 /nfs/dbraw/zinc/59/10/24/657591024.db2.gz ZGXUBNZRFOYWGU-RKDXNWHRSA-N 1 0 308.179 3.094 10 0 DGAERO CSC1CCC(C[NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000720566070 657931325 /nfs/dbraw/zinc/93/13/25/657931325.db2.gz GEYLGMWMCVXBJX-IIIMJFFVSA-N 1 0 323.502 3.076 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)o1 ZINC000720850268 658150879 /nfs/dbraw/zinc/15/08/79/658150879.db2.gz PAXFRYRDBDDWQW-USWWRNFRSA-N 1 0 300.196 3.089 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720877523 658155081 /nfs/dbraw/zinc/15/50/81/658155081.db2.gz PWCZANHYMUKMOA-SUZMYJTESA-N 1 0 306.759 3.470 10 0 DGAERO CON1CCC([NH2+]CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000722129212 658157381 /nfs/dbraw/zinc/15/73/81/658157381.db2.gz PSAIJXLPZHWONR-UHFFFAOYSA-N 1 0 303.233 3.151 10 0 DGAERO C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000720927787 658237211 /nfs/dbraw/zinc/23/72/11/658237211.db2.gz LXBYKVUYOSTQSC-LLVKDONJSA-N 1 0 318.408 3.267 10 0 DGAERO C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1cccnc1 ZINC000721872121 658310363 /nfs/dbraw/zinc/31/03/63/658310363.db2.gz LZKRDTOQGAMNBA-ZFWWWQNUSA-N 1 0 319.449 3.378 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)CN1Cc1ccccc1 ZINC000353393767 658328821 /nfs/dbraw/zinc/32/88/21/658328821.db2.gz KDABKJSBIFBQEW-HFTRVMKXSA-N 1 0 310.445 3.040 10 0 DGAERO CC(C)O[C@]1(C[NH2+]Cc2c(F)cccc2Cl)CCOC1 ZINC000722356590 658812383 /nfs/dbraw/zinc/81/23/83/658812383.db2.gz KFGQTMFPWXWEAS-HNNXBMFYSA-N 1 0 301.789 3.153 10 0 DGAERO CC(C)O[C@@]1(C[NH2+]Cc2c(F)cccc2Cl)CCOC1 ZINC000722356591 658813395 /nfs/dbraw/zinc/81/33/95/658813395.db2.gz KFGQTMFPWXWEAS-OAHLLOKOSA-N 1 0 301.789 3.153 10 0 DGAERO C[C@@H]1[C@H](C)OCCN1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000156506613 658925866 /nfs/dbraw/zinc/92/58/66/658925866.db2.gz GDQXKUXVCCGERK-OLZOCXBDSA-N 1 0 308.447 3.070 10 0 DGAERO CCCOc1ccc(Br)cc1C[NH2+][C@@H](C)[C@H](C)O ZINC000349272546 658937646 /nfs/dbraw/zinc/93/76/46/658937646.db2.gz AGULGFGRSJPZGZ-QWRGUYRKSA-N 1 0 316.239 3.097 10 0 DGAERO [NH3+]CC[C@H]1CCCCN1Cc1cccc(F)c1Br ZINC000157008755 658976653 /nfs/dbraw/zinc/97/66/53/658976653.db2.gz RSRDKUZPEQDRPR-GFCCVEGCSA-N 1 0 315.230 3.292 10 0 DGAERO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cncs1 ZINC000225913092 659087100 /nfs/dbraw/zinc/08/71/00/659087100.db2.gz DAGUIBOOMVKLGF-HNNXBMFYSA-N 1 0 313.467 3.172 10 0 DGAERO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cncs1 ZINC000225913082 659087203 /nfs/dbraw/zinc/08/72/03/659087203.db2.gz DAGUIBOOMVKLGF-OAHLLOKOSA-N 1 0 313.467 3.172 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]C2CCS(=O)CC2)cc1 ZINC000157949211 659129531 /nfs/dbraw/zinc/12/95/31/659129531.db2.gz PHYOQBTXXFEVRG-HXJYWVFZSA-N 1 0 309.475 3.283 10 0 DGAERO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc2cnccc21 ZINC000227688791 659160795 /nfs/dbraw/zinc/16/07/95/659160795.db2.gz CWQLNZRUBUKBSV-ZDUSSCGKSA-N 1 0 315.417 3.238 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1cccc2[nH]ccc21 ZINC000227758751 659163191 /nfs/dbraw/zinc/16/31/91/659163191.db2.gz BPLPNIUGIAAXJC-SNAWJCMRSA-N 1 0 315.417 3.338 10 0 DGAERO C[C@](O)(C[N@@H+]1CCCN(c2ccccc2)CC1)c1ccccc1 ZINC000170777174 659236735 /nfs/dbraw/zinc/23/67/35/659236735.db2.gz DKBKDXQAZNTWFW-FQEVSTJZSA-N 1 0 310.441 3.106 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000229842633 659285828 /nfs/dbraw/zinc/28/58/28/659285828.db2.gz ZBRZYZGPURYELK-GTPINHCMSA-N 1 0 316.445 3.189 10 0 DGAERO O=C(C[C@@H]1CCCO1)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000172042994 659311862 /nfs/dbraw/zinc/31/18/62/659311862.db2.gz ZRQOTXSCWZXWJY-MSOLQXFVSA-N 1 0 317.429 3.011 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccccc1Br ZINC000230203263 659317695 /nfs/dbraw/zinc/31/76/95/659317695.db2.gz WJQZYJFSDODFBZ-WDEREUQCSA-N 1 0 314.223 3.251 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CN1CCOC1=S ZINC000172971750 659368570 /nfs/dbraw/zinc/36/85/70/659368570.db2.gz SLJNSENSOYNYDE-MRXNPFEDSA-N 1 0 306.475 3.213 10 0 DGAERO CC[C@@]1(C)CCC[N@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000173424259 659383843 /nfs/dbraw/zinc/38/38/43/659383843.db2.gz POMXOHHJZMNWJX-KRWDZBQOSA-N 1 0 316.453 3.116 10 0 DGAERO CC[C@]1(C)CCC[N@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000173424247 659383971 /nfs/dbraw/zinc/38/39/71/659383971.db2.gz POMXOHHJZMNWJX-QGZVFWFLSA-N 1 0 316.453 3.116 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000174564754 659439131 /nfs/dbraw/zinc/43/91/31/659439131.db2.gz RSKHMWXQQXPTOH-GJZGRUSLSA-N 1 0 308.422 3.453 10 0 DGAERO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000444778821 659886244 /nfs/dbraw/zinc/88/62/44/659886244.db2.gz ACMDQGLVQUIXEY-UHFFFAOYSA-N 1 0 318.486 3.385 10 0 DGAERO C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000237655177 659934323 /nfs/dbraw/zinc/93/43/23/659934323.db2.gz GPXLJGZBXJZANH-BBRMVZONSA-N 1 0 320.502 3.256 10 0 DGAERO CSCCCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000180578058 659965947 /nfs/dbraw/zinc/96/59/47/659965947.db2.gz GVDGMKULZNOHGH-UONOGXRCSA-N 1 0 316.511 3.365 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)CCC2 ZINC000353531485 659996736 /nfs/dbraw/zinc/99/67/36/659996736.db2.gz VGRPRSKMVNNZGZ-SJLPKXTDSA-N 1 0 310.445 3.041 10 0 DGAERO CSCCCCCCNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000181536783 660006432 /nfs/dbraw/zinc/00/64/32/660006432.db2.gz GHHBMIANPGFFGL-HNNXBMFYSA-N 1 0 315.527 3.083 10 0 DGAERO C[C@@](O)(C[NH2+]Cc1cccc2cnccc21)c1ccc(F)cc1 ZINC000181545110 660006792 /nfs/dbraw/zinc/00/67/92/660006792.db2.gz YVHJMTIZNSVZOS-LJQANCHMSA-N 1 0 310.372 3.371 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000182079280 660032772 /nfs/dbraw/zinc/03/27/72/660032772.db2.gz HUCXSZXSURBFKY-AEFFLSMTSA-N 1 0 303.446 3.340 10 0 DGAERO C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000182314761 660042131 /nfs/dbraw/zinc/04/21/31/660042131.db2.gz VUQTVIDIZYZHND-FXFXYLOPSA-N 1 0 309.413 3.286 10 0 DGAERO CC[C@@H]1C[C@H](C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000183158540 660103141 /nfs/dbraw/zinc/10/31/41/660103141.db2.gz LTBQFZKLACABAQ-KZNAEPCWSA-N 1 0 317.429 3.009 10 0 DGAERO C=CCCO[C@H](C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183186390 660104104 /nfs/dbraw/zinc/10/41/04/660104104.db2.gz VJLRZOCERRAKHR-SJLPKXTDSA-N 1 0 317.429 3.175 10 0 DGAERO O=C(CCc1ccccn1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183194876 660104258 /nfs/dbraw/zinc/10/42/58/660104258.db2.gz BPPZMGXUTIKCCM-LJQANCHMSA-N 1 0 324.424 3.222 10 0 DGAERO CCC1(COC(=O)[C@H](C)OC)CC[NH+](Cc2ccccc2)CC1 ZINC000183296407 660107973 /nfs/dbraw/zinc/10/79/73/660107973.db2.gz VIHJDHAKSFTMAI-INIZCTEOSA-N 1 0 319.445 3.257 10 0 DGAERO CCN(CC)[C@H](C(=O)O[C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000183653500 660128984 /nfs/dbraw/zinc/12/89/84/660128984.db2.gz FGONMHZIEOTAIE-UAGQMJEPSA-N 1 0 305.418 3.038 10 0 DGAERO CC(C)[C@@H](C)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000081056314 660153009 /nfs/dbraw/zinc/15/30/09/660153009.db2.gz GGEFMGNBEUYLQJ-FZMZJTMJSA-N 1 0 300.240 3.364 10 0 DGAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000187450798 661639380 /nfs/dbraw/zinc/63/93/80/661639380.db2.gz XGURUKWNDMZNII-PBHICJAKSA-N 1 0 318.461 3.150 10 0 DGAERO [NH3+]CCCCCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000155347781 661845231 /nfs/dbraw/zinc/84/52/31/661845231.db2.gz LZXQYYZGTXCIDN-MRXNPFEDSA-N 1 0 316.445 3.458 10 0 DGAERO CC[N@H+](CCc1nccs1)C[C@H](O)c1ccc(Cl)cc1 ZINC000159436243 661888164 /nfs/dbraw/zinc/88/81/64/661888164.db2.gz ZJTVDHNMGABVEL-AWEZNQCLSA-N 1 0 310.850 3.395 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)C[C@H](O)c1ccccc1F ZINC000159811629 661895825 /nfs/dbraw/zinc/89/58/25/661895825.db2.gz XPXKGIHYCOGZIL-HNNXBMFYSA-N 1 0 308.422 3.269 10 0 DGAERO CN1CC[C@H](NC(=O)OCC2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000189777228 661990940 /nfs/dbraw/zinc/99/09/40/661990940.db2.gz IGRCTYFQFCENKC-GJZGRUSLSA-N 1 0 308.809 3.221 10 0 DGAERO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)C1=COCCC1 ZINC000076880762 662004362 /nfs/dbraw/zinc/00/43/62/662004362.db2.gz DQSHJFSIVQJZHQ-UHFFFAOYSA-N 1 0 315.413 3.136 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccnn1C ZINC000192853016 662112897 /nfs/dbraw/zinc/11/28/97/662112897.db2.gz DRFQACBFGPBVOO-YMTOWFKASA-N 1 0 314.216 3.111 10 0 DGAERO CC(C)[C@H](C)[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000192909089 662115617 /nfs/dbraw/zinc/11/56/17/662115617.db2.gz DOTPEIFYCIXQHB-HNNXBMFYSA-N 1 0 304.434 3.422 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000194295473 662162833 /nfs/dbraw/zinc/16/28/33/662162833.db2.gz CNQAMEZBAKZYOA-MOPGFXCFSA-N 1 0 300.446 3.323 10 0 DGAERO CCCCCCNC(=O)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195330005 662185053 /nfs/dbraw/zinc/18/50/53/662185053.db2.gz DFPLFYMRUMXVER-OAHLLOKOSA-N 1 0 323.506 3.327 10 0 DGAERO [NH3+]C1CC(Cc2nc(Cc3ccc(Cl)c(Cl)c3)no2)C1 ZINC000718034427 662215205 /nfs/dbraw/zinc/21/52/05/662215205.db2.gz YBQOJZQJYOWLOX-UHFFFAOYSA-N 1 0 312.200 3.247 10 0 DGAERO Cc1coc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000718053980 662216138 /nfs/dbraw/zinc/21/61/38/662216138.db2.gz TYCIKAOMADWWSY-ZIAGYGMSSA-N 1 0 308.422 3.371 10 0 DGAERO FC(F)SCc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)o1 ZINC000245574944 662236703 /nfs/dbraw/zinc/23/67/03/662236703.db2.gz ZRFWOIPRHMSQLR-LBPRGKRZSA-N 1 0 316.417 3.406 10 0 DGAERO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)C[C@@](C)(O)c1ccccc1 ZINC000245591290 662236967 /nfs/dbraw/zinc/23/69/67/662236967.db2.gz GIRFPKQEXGBBIB-WOJBJXKFSA-N 1 0 313.441 3.258 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000089431040 662243785 /nfs/dbraw/zinc/24/37/85/662243785.db2.gz YPRYYLWJMAENJW-UWVGGRQHSA-N 1 0 322.206 3.342 10 0 DGAERO FC(F)(F)c1cc(-c2nc(C3CC[NH2+]CC3)no2)cs1 ZINC000718184512 662249394 /nfs/dbraw/zinc/24/93/94/662249394.db2.gz OQWHJMZCIVYQDC-UHFFFAOYSA-N 1 0 303.309 3.284 10 0 DGAERO CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000718731146 662260929 /nfs/dbraw/zinc/26/09/29/662260929.db2.gz FGNFNRKOIICSTO-KGLIPLIRSA-N 1 0 314.470 3.227 10 0 DGAERO CCOCCCC[NH2+]Cc1nc(C)c(Br)s1 ZINC000719225698 662271478 /nfs/dbraw/zinc/27/14/78/662271478.db2.gz YBAXGRWIUZJRFI-UHFFFAOYSA-N 1 0 307.257 3.120 10 0 DGAERO Cc1nc(C[NH2+]C[C@H]2CCOC2(C)C)sc1Br ZINC000719259828 662272341 /nfs/dbraw/zinc/27/23/41/662272341.db2.gz WGGAJOLKZWZKQL-SECBINFHSA-N 1 0 319.268 3.119 10 0 DGAERO CO[C@]1(C[NH2+]Cc2csc(C(F)(F)F)c2)CCSC1 ZINC000719285025 662272935 /nfs/dbraw/zinc/27/29/35/662272935.db2.gz VANAAEKRMALPEY-NSHDSACASA-N 1 0 311.394 3.379 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2ccccc2Br)CCSC1 ZINC000719315111 662273354 /nfs/dbraw/zinc/27/33/54/662273354.db2.gz HJKODBCAILFARP-CYBMUJFWSA-N 1 0 316.264 3.061 10 0 DGAERO O[C@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](CCc2cccs2)C1 ZINC000246818220 662284321 /nfs/dbraw/zinc/28/43/21/662284321.db2.gz UERKCHYLXBMDAO-LRDDRELGSA-N 1 0 309.381 3.377 10 0 DGAERO Cc1ccc(C[NH2+][C@@H](C)CCCO)c(C)c1Br ZINC000719526241 662291499 /nfs/dbraw/zinc/29/14/99/662291499.db2.gz WEHJSHVQVGSAOE-NSHDSACASA-N 1 0 300.240 3.317 10 0 DGAERO Cc1ccc(C[NH2+]CCC[C@H](C)O)c(C)c1Br ZINC000719535401 662291626 /nfs/dbraw/zinc/29/16/26/662291626.db2.gz LNALQNMHLGHXPV-NSHDSACASA-N 1 0 300.240 3.317 10 0 DGAERO COCc1cc([C@@H](C)[NH2+]CCN2CCCC[C@@H]2C)ccc1OC ZINC000247180656 662302449 /nfs/dbraw/zinc/30/24/49/662302449.db2.gz VEFLGJUYUXFAAR-JKSUJKDBSA-N 1 0 320.477 3.367 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(O)c1Br ZINC000720140797 662302788 /nfs/dbraw/zinc/30/27/88/662302788.db2.gz LWZVLCKPSBHPCV-SECBINFHSA-N 1 0 302.212 3.058 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]Cc1cc(O)ccc1Br ZINC000720140913 662302875 /nfs/dbraw/zinc/30/28/75/662302875.db2.gz MTYIPFBSCGIGIL-VIFPVBQESA-N 1 0 302.212 3.058 10 0 DGAERO Cc1nn(C)c(C)c1CCCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000091537584 662305225 /nfs/dbraw/zinc/30/52/25/662305225.db2.gz YWJVOLLJHQABIJ-CQSZACIVSA-N 1 0 321.513 3.089 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cncc(Br)c1 ZINC000720161878 662305802 /nfs/dbraw/zinc/30/58/02/662305802.db2.gz ZDRYXRWWNBWBCC-NXEZZACHSA-N 1 0 301.228 3.308 10 0 DGAERO C[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@@H](CO)C(C)(C)C ZINC000091686556 662312451 /nfs/dbraw/zinc/31/24/51/662312451.db2.gz KZVLFSMFWUGNPN-HOCLYGCPSA-N 1 0 324.852 3.172 10 0 DGAERO C[N@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)CC1(O)CCCC1 ZINC000091982411 662325982 /nfs/dbraw/zinc/32/59/82/662325982.db2.gz MYNQMDJMRXTRAP-OAHLLOKOSA-N 1 0 322.836 3.070 10 0 DGAERO c1cc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)co1 ZINC000092709219 662334557 /nfs/dbraw/zinc/33/45/57/662334557.db2.gz FHLCCXFOEZZPKA-UHFFFAOYSA-N 1 0 310.357 3.104 10 0 DGAERO COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000248477572 662348762 /nfs/dbraw/zinc/34/87/62/662348762.db2.gz YTWYJHFGXQUBCU-GDBMZVCRSA-N 1 0 305.418 3.231 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(COC)cc2)[C@@H](C)C1 ZINC000248755974 662358735 /nfs/dbraw/zinc/35/87/35/662358735.db2.gz WIXZFDBZVPPJDV-YOEHRIQHSA-N 1 0 319.449 3.027 10 0 DGAERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000093918520 662361494 /nfs/dbraw/zinc/36/14/94/662361494.db2.gz OMLFAVWBXAYQES-CABCVRRESA-N 1 0 324.399 3.281 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)ccc1F ZINC000248989073 662362550 /nfs/dbraw/zinc/36/25/50/662362550.db2.gz GUNCQMJZIGVFJI-KURKYZTESA-N 1 0 319.351 3.118 10 0 DGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1C ZINC000227679157 685118566 /nfs/dbraw/zinc/11/85/66/685118566.db2.gz RTNKNJHOSCKFQA-NEPJUHHUSA-N 1 0 324.469 3.084 10 0 DGAERO Cc1cc(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)cc(C)c1O ZINC000227679838 685118650 /nfs/dbraw/zinc/11/86/50/685118650.db2.gz NHTMDXUJFMHRLI-ZDUSSCGKSA-N 1 0 308.422 3.012 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+][C@H]2CCCOCC2)cc1 ZINC000379626648 685149153 /nfs/dbraw/zinc/14/91/53/685149153.db2.gz MHPWWHBEUINYQO-RBUKOAKNSA-N 1 0 302.462 3.200 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1cccc2cc[nH]c21 ZINC000381871645 685160440 /nfs/dbraw/zinc/16/04/40/685160440.db2.gz LPQOAKBXUBOATA-PLNGDYQASA-N 1 0 315.417 3.338 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000381948177 685160793 /nfs/dbraw/zinc/16/07/93/685160793.db2.gz APGGDZBCMDSGEY-CQJMVSDSSA-N 1 0 308.466 3.458 10 0 DGAERO Cc1cc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C)on1 ZINC000382033077 685161718 /nfs/dbraw/zinc/16/17/18/685161718.db2.gz FFCLBOALUHJLFH-ZDUSSCGKSA-N 1 0 311.426 3.012 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000382456200 685164055 /nfs/dbraw/zinc/16/40/55/685164055.db2.gz QPNIIFABKJLTPO-MJBXVCDLSA-N 1 0 314.470 3.083 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CCOC1(C)C)C(C)(C)C ZINC000392804265 685216443 /nfs/dbraw/zinc/21/64/43/685216443.db2.gz ARMUSXKNUPXYEF-CYBMUJFWSA-N 1 0 314.470 3.179 10 0 DGAERO CC1(C)SC[C@H]1[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000393845238 685219142 /nfs/dbraw/zinc/21/91/42/685219142.db2.gz CWNSDGNWWIZHHX-NWDGAFQWSA-N 1 0 305.365 3.222 10 0 DGAERO CC1(C)SC[C@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000393857427 685220111 /nfs/dbraw/zinc/22/01/11/685220111.db2.gz WDTCGTFFOITCMC-VXGBXAGGSA-N 1 0 305.365 3.222 10 0 DGAERO C[C@H]([NH2+]C1CC1)C(=O)Nc1ccccc1OCc1ccccc1 ZINC000394893146 685224166 /nfs/dbraw/zinc/22/41/66/685224166.db2.gz XXRNAXPVXMRTPG-AWEZNQCLSA-N 1 0 310.397 3.345 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000395552637 685225399 /nfs/dbraw/zinc/22/53/99/685225399.db2.gz AIWDIWVDADROJZ-ILXRZTDVSA-N 1 0 314.470 3.179 10 0 DGAERO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 ZINC000396615249 685227913 /nfs/dbraw/zinc/22/79/13/685227913.db2.gz GWXQOZVUOKOXFR-GDBMZVCRSA-N 1 0 319.449 3.268 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CSc3ccccc32)C1 ZINC000397732745 685231628 /nfs/dbraw/zinc/23/16/28/685231628.db2.gz GJDOPHGCVIUMEM-CQSZACIVSA-N 1 0 320.458 3.290 10 0 DGAERO CCCCn1nc(C)c(C[NH2+]CCc2cccnc2)c1Cl ZINC000128722151 1176048227 /nfs/dbraw/zinc/04/82/27/1176048227.db2.gz CGVOKOLEDQYZRR-UHFFFAOYSA-N 1 0 306.841 3.372 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](ONC(=O)OC(C)(C)C)C(C)C)C1CC1 ZINC000398867743 1176094294 /nfs/dbraw/zinc/09/42/94/1176094294.db2.gz NZKXIYVMHWAQDS-KGLIPLIRSA-N 1 0 300.443 3.246 10 0 DGAERO CC(C)[C@H](C[NH2+]C1CC(C)(C)C1)ONC(=O)OC(C)(C)C ZINC000398943126 1176118058 /nfs/dbraw/zinc/11/80/58/1176118058.db2.gz WSVOBZBOCKJISA-ZDUSSCGKSA-N 1 0 300.443 3.246 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085367855 1176175263 /nfs/dbraw/zinc/17/52/63/1176175263.db2.gz JPWIAHBCQOEYJF-JSGCOSHPSA-N 1 0 315.244 3.469 10 0 DGAERO CO[C@H](C[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)C1CC1 ZINC000378825015 1176737891 /nfs/dbraw/zinc/73/78/91/1176737891.db2.gz OSNYKLWEGJTWJY-UKRRQHHQSA-N 1 0 314.470 3.085 10 0 DGAERO CC[C@H]1CCC[C@@H](C[NH2+]CCn2cc(Br)cn2)C1 ZINC000394517782 1176751705 /nfs/dbraw/zinc/75/17/05/1176751705.db2.gz IECGLBGDZTVFJO-QWHCGFSZSA-N 1 0 314.271 3.452 10 0 DGAERO C[N@@H+](Cc1csc(Br)c1)CC1CCC(O)CC1 ZINC000380023254 1176834419 /nfs/dbraw/zinc/83/44/19/1176834419.db2.gz DUYWZXVMJSALNP-UHFFFAOYSA-N 1 0 318.280 3.494 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000381600883 1176993290 /nfs/dbraw/zinc/99/32/90/1176993290.db2.gz MMRCFMNSRYRTDG-UONOGXRCSA-N 1 0 308.422 3.371 10 0 DGAERO CC[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CC1(C)C ZINC000397724295 1177010906 /nfs/dbraw/zinc/01/09/06/1177010906.db2.gz WUXUXWFHZXYSJE-CHWSQXEVSA-N 1 0 314.271 3.450 10 0 DGAERO CCSCCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397859315 1177013196 /nfs/dbraw/zinc/01/31/96/1177013196.db2.gz XSKRXGNPAGTCCC-CHWSQXEVSA-N 1 0 316.511 3.411 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000382659999 1177029945 /nfs/dbraw/zinc/02/99/45/1177029945.db2.gz PUMVYLMQFPOFRP-XLIONFOSSA-N 1 0 316.489 3.134 10 0 DGAERO Cn1nccc1CC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000384010340 1177078160 /nfs/dbraw/zinc/07/81/60/1177078160.db2.gz INKOKAVKNLJNQQ-UHFFFAOYSA-N 1 0 321.424 3.331 10 0 DGAERO CCN=c1[nH]c(C[N@H+](C)CCCOCc2ccccc2)cs1 ZINC000384142182 1177089072 /nfs/dbraw/zinc/08/90/72/1177089072.db2.gz NBYWDGOZAFXDHR-UHFFFAOYSA-N 1 0 319.474 3.036 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+]CCn2cc(Br)cn2)CC1 ZINC000310304414 1177643630 /nfs/dbraw/zinc/64/36/30/1177643630.db2.gz RFPUYJWDIOTAOZ-DGCLKSJQSA-N 1 0 300.244 3.204 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000085357271 1177646850 /nfs/dbraw/zinc/64/68/50/1177646850.db2.gz TXZGBMYHAKRNFJ-TZMCWYRMSA-N 1 0 315.244 3.170 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085366701 1177712403 /nfs/dbraw/zinc/71/24/03/1177712403.db2.gz FNALAUGHHBOVDY-SMDDNHRTSA-N 1 0 315.244 3.469 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085367859 1177712716 /nfs/dbraw/zinc/71/27/16/1177712716.db2.gz JPWIAHBCQOEYJF-GXTWGEPZSA-N 1 0 315.244 3.469 10 0 DGAERO CN1CCCC[C@@H]1C[NH2+]Cc1ccsc1Br ZINC000388536549 1178073461 /nfs/dbraw/zinc/07/34/61/1178073461.db2.gz PWTOBFUXAWPURE-LLVKDONJSA-N 1 0 303.269 3.085 10 0 DGAERO CN1CCCC[C@H]1C[NH2+]Cc1ccsc1Br ZINC000388536550 1178073484 /nfs/dbraw/zinc/07/34/84/1178073484.db2.gz PWTOBFUXAWPURE-NSHDSACASA-N 1 0 303.269 3.085 10 0 DGAERO COc1cc(C[NH2+]CCOc2ccccc2)ccc1OC(F)F ZINC000060828769 1195158376 /nfs/dbraw/zinc/15/83/76/1195158376.db2.gz UZINSUMREZUGPE-UHFFFAOYSA-N 1 0 323.339 3.465 10 0 DGAERO Cc1cccc(OCC[NH2+]Cc2ccc(Br)cn2)c1 ZINC000070396559 1195866029 /nfs/dbraw/zinc/86/60/29/1195866029.db2.gz KTNIWIWZAQYCNJ-UHFFFAOYSA-N 1 0 321.218 3.321 10 0 DGAERO COc1ccc(OCC[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000070755680 1195899461 /nfs/dbraw/zinc/89/94/61/1195899461.db2.gz SSJFGSBBMABTTK-UHFFFAOYSA-N 1 0 323.396 3.050 10 0 DGAERO O[C@H](C[NH2+]C1CC(c2ccccc2Br)C1)C1CC1 ZINC000071301300 1195949273 /nfs/dbraw/zinc/94/92/73/1195949273.db2.gz WZTCFMDJPYBALE-KOHJWAIASA-N 1 0 310.235 3.056 10 0 DGAERO c1ccc2c(c1)cccc2C[NH2+]CCc1nnc2n1CCCCC2 ZINC000073934522 1196205675 /nfs/dbraw/zinc/20/56/75/1196205675.db2.gz QPZROMSKEKXEDJ-UHFFFAOYSA-N 1 0 320.440 3.490 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC000081477270 1197224208 /nfs/dbraw/zinc/22/42/08/1197224208.db2.gz SXLDMEJNSPLYPY-ZIAGYGMSSA-N 1 0 311.495 3.051 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC000081501432 1197226788 /nfs/dbraw/zinc/22/67/88/1197226788.db2.gz WOIWZZICIQPDFN-CQSZACIVSA-N 1 0 311.495 3.052 10 0 DGAERO c1csc(-c2ncc(C[NH2+]CCOc3cccnc3)s2)c1 ZINC000083468708 1197430426 /nfs/dbraw/zinc/43/04/26/1197430426.db2.gz ZKSZADQVLSOZRB-UHFFFAOYSA-N 1 0 317.439 3.435 10 0 DGAERO CCc1nc(C)cc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000379679969 1197704181 /nfs/dbraw/zinc/70/41/81/1197704181.db2.gz KQIXBDDZBVEMGQ-SFHVURJKSA-N 1 0 324.472 3.236 10 0 DGAERO CCCn1cncc1C[NH2+]Cc1cccc(Br)c1 ZINC000090205047 1198122563 /nfs/dbraw/zinc/12/25/63/1198122563.db2.gz DBWKKOUVARGCRN-UHFFFAOYSA-N 1 0 308.223 3.345 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)C1CC1 ZINC000091344415 1198379449 /nfs/dbraw/zinc/37/94/49/1198379449.db2.gz DTWRWDFSILWHBY-KXBFYZLASA-N 1 0 302.462 3.004 10 0 DGAERO Clc1ccc(Cl)c(C[NH2+]CCc2nnc[nH]2)c1Cl ZINC000096767251 1199014783 /nfs/dbraw/zinc/01/47/83/1199014783.db2.gz MVKGFPVOSVCOHL-UHFFFAOYSA-N 1 0 305.596 3.097 10 0 DGAERO CC[C@H]1CCCC[C@@H]1C[NH2+]CCn1cc(Br)cn1 ZINC000401509682 1199406366 /nfs/dbraw/zinc/40/63/66/1199406366.db2.gz VADBWUBLZPHSGT-QWHCGFSZSA-N 1 0 314.271 3.452 10 0 DGAERO Cc1ccnc(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000401660878 1199413887 /nfs/dbraw/zinc/41/38/87/1199413887.db2.gz DIVHHFAGFXIKAC-HOCLYGCPSA-N 1 0 319.449 3.125 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]CCCC2CC2)C1 ZINC000401976607 1199427890 /nfs/dbraw/zinc/42/78/90/1199427890.db2.gz VODLOGBGDMWMQQ-KRWDZBQOSA-N 1 0 302.418 3.177 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C12CCC2 ZINC000405238962 1199596249 /nfs/dbraw/zinc/59/62/49/1199596249.db2.gz GOKHVDDXEVNVOW-AIEDFZFUSA-N 1 0 306.450 3.210 10 0 DGAERO CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405308603 1199597212 /nfs/dbraw/zinc/59/72/12/1199597212.db2.gz NNXPVCWBCNDTAA-QPSCCSFWSA-N 1 0 308.466 3.458 10 0 DGAERO COCC1(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)CCC1 ZINC000405961387 1199600856 /nfs/dbraw/zinc/60/08/56/1199600856.db2.gz OUWURNZWXBQWAT-GOSISDBHSA-N 1 0 302.462 3.057 10 0 DGAERO Brc1sccc1C[NH2+]C[C@H]1CSCCS1 ZINC000388756842 1199632420 /nfs/dbraw/zinc/63/24/20/1199632420.db2.gz RRQVHDBFZISLHS-VIFPVBQESA-N 1 0 324.334 3.449 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1)C[C@H](C)O ZINC000305056769 1199671774 /nfs/dbraw/zinc/67/17/74/1199671774.db2.gz CTAFWDDWRKVWOO-ZJUUUORDSA-N 1 0 304.203 3.085 10 0 DGAERO CO[C@@](C)(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1CC1 ZINC000309875619 1199711523 /nfs/dbraw/zinc/71/15/23/1199711523.db2.gz VOEWJLYLYQIUKM-DYVFJYSZSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)SCC[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000309981421 1199711595 /nfs/dbraw/zinc/71/15/95/1199711595.db2.gz VCNCPEZLACGCNF-CYBMUJFWSA-N 1 0 304.500 3.411 10 0 DGAERO CCC[C@@H](C[NH2+]CCc1cccc(Br)c1)OC ZINC000313718900 1199773081 /nfs/dbraw/zinc/77/30/81/1199773081.db2.gz SCYQVHHURVUAAO-AWEZNQCLSA-N 1 0 300.240 3.396 10 0 DGAERO C=CC[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000119548427 1200087247 /nfs/dbraw/zinc/08/72/47/1200087247.db2.gz ZITMJPLHPOBRJN-UHFFFAOYSA-N 1 0 322.149 3.335 10 0 DGAERO Cc1c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cnn1C1CCCC1 ZINC000120502249 1200155215 /nfs/dbraw/zinc/15/52/15/1200155215.db2.gz XRTQATBSONFHSS-HNNXBMFYSA-N 1 0 320.481 3.013 10 0 DGAERO C=CCCOCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000120848264 1200176540 /nfs/dbraw/zinc/17/65/40/1200176540.db2.gz AMYLIOOOHWCDGH-UHFFFAOYSA-N 1 0 305.809 3.412 10 0 DGAERO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000127605958 1200692336 /nfs/dbraw/zinc/69/23/36/1200692336.db2.gz WTDAKUSFCDMTDG-UPJWGTAASA-N 1 0 309.841 3.430 10 0 DGAERO c1ncc(C[NH2+]Cc2cccc(COC3CCOCC3)c2)s1 ZINC000136114534 1201209559 /nfs/dbraw/zinc/20/95/59/1201209559.db2.gz XJEZXQCYDHCWEW-UHFFFAOYSA-N 1 0 318.442 3.129 10 0 DGAERO CCCCCOCC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193419497 1201271105 /nfs/dbraw/zinc/27/11/05/1201271105.db2.gz PCQHSYLGHFDPRQ-GOSISDBHSA-N 1 0 314.429 3.163 10 0 DGAERO c1ccc(CN2CCC([NH2+]CCNc3ccccc3)CC2)cc1 ZINC000141313849 1202516811 /nfs/dbraw/zinc/51/68/11/1202516811.db2.gz IMLCKUJHDYQKLL-UHFFFAOYSA-N 1 0 309.457 3.353 10 0 DGAERO COC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1)C(C)C ZINC000223179701 1202581081 /nfs/dbraw/zinc/58/10/81/1202581081.db2.gz NXAKMHUTXWPUJG-OAHLLOKOSA-N 1 0 314.470 3.037 10 0 DGAERO CN(CCC[NH2+]Cc1cccc(F)c1F)C(=O)OC(C)(C)C ZINC000224061270 1202588105 /nfs/dbraw/zinc/58/81/05/1202588105.db2.gz GRXFCTMZXCUAQW-UHFFFAOYSA-N 1 0 314.376 3.311 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccsc1 ZINC000151438030 1202592508 /nfs/dbraw/zinc/59/25/08/1202592508.db2.gz ZHQXDDWXMBALDX-QAPCUYQASA-N 1 0 300.471 3.401 10 0 DGAERO C[N@@H+](Cc1ccccc1Br)CC1CCC(O)CC1 ZINC000258844888 1202600717 /nfs/dbraw/zinc/60/07/17/1202600717.db2.gz FLZKSXDVLDRTDM-UHFFFAOYSA-N 1 0 312.251 3.432 10 0 DGAERO Cc1nc(Cl)ccc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000157796102 1202602994 /nfs/dbraw/zinc/60/29/94/1202602994.db2.gz WHNQESGZZIQLRU-CQSZACIVSA-N 1 0 321.852 3.038 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000158150974 1202603373 /nfs/dbraw/zinc/60/33/73/1202603373.db2.gz RGYYBFZDGZPGNI-INIZCTEOSA-N 1 0 308.809 3.498 10 0 DGAERO Clc1cnc(NCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000159664797 1202605001 /nfs/dbraw/zinc/60/50/01/1202605001.db2.gz PUZBAVIAKLVQNZ-VIFPVBQESA-N 1 0 318.646 3.299 10 0 DGAERO Clc1cnc(NCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000159664928 1202605050 /nfs/dbraw/zinc/60/50/50/1202605050.db2.gz PUZBAVIAKLVQNZ-SECBINFHSA-N 1 0 318.646 3.299 10 0 DGAERO Fc1cc(F)cc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000237694773 1202689874 /nfs/dbraw/zinc/68/98/74/1202689874.db2.gz HCYXBIYNOPNZMT-UHFFFAOYSA-N 1 0 313.351 3.499 10 0 DGAERO CC[C@H](COC)[NH2+]Cc1c(F)cc(Br)cc1F ZINC000188703511 1203225902 /nfs/dbraw/zinc/22/59/02/1203225902.db2.gz JQSFJOJOVFNRGG-SECBINFHSA-N 1 0 308.166 3.242 10 0 DGAERO C[C@H]1C[C@H]([NH2+]C2CC(c3ccccc3Br)C2)CO1 ZINC000402006302 1203285297 /nfs/dbraw/zinc/28/52/97/1203285297.db2.gz QQJKJCAKXKFFLJ-WTIISPKJSA-N 1 0 310.235 3.462 10 0 DGAERO O=C(Cc1cccs1)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000243528825 1203590218 /nfs/dbraw/zinc/59/02/18/1203590218.db2.gz OCDIDFQXTUSYSM-UHFFFAOYSA-N 1 0 318.486 3.325 10 0 DGAERO O=C(c1ccc(F)cc1)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000244163276 1203608562 /nfs/dbraw/zinc/60/85/62/1203608562.db2.gz UZFHKGLNMUBNCG-UHFFFAOYSA-N 1 0 316.420 3.474 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCNc2ncccc2C(F)(F)F)C[C@H](C)O1 ZINC000245732609 1203690202 /nfs/dbraw/zinc/69/02/02/1203690202.db2.gz JAOHSOUNXFMLFF-ZSBIGDGJSA-N 1 0 317.355 3.058 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000255089737 1203836723 /nfs/dbraw/zinc/83/67/23/1203836723.db2.gz RVKQLGLZQDVJLS-RICGDEPASA-N 1 0 316.445 3.088 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000175968865 1203922383 /nfs/dbraw/zinc/92/23/83/1203922383.db2.gz CDWQFSUMJDDBKO-QJPKHSJYSA-N 1 0 316.445 3.089 10 0 DGAERO COc1ccccc1NC(=O)CN(C)[C@H](C)Cc1ccsc1 ZINC000176438437 1203930799 /nfs/dbraw/zinc/93/07/99/1203930799.db2.gz FDQNWVILKMQDNI-CYBMUJFWSA-N 1 0 318.442 3.258 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)NCc2ccn3ccnc3c2)cc1 ZINC000178354618 1204025940 /nfs/dbraw/zinc/02/59/40/1204025940.db2.gz RQDOGYWTQPAZFK-SDNWHVSQSA-N 1 0 321.380 3.063 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)cc1OC ZINC000069170816 1081968484 /nfs/dbraw/zinc/96/84/84/1081968484.db2.gz PTPSUHCTNLHFAK-QGZVFWFLSA-N 1 0 319.445 3.291 10 0 DGAERO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000069047621 1082072686 /nfs/dbraw/zinc/07/26/86/1082072686.db2.gz COQUBSVNZGSMFD-SJORKVTESA-N 1 0 300.446 3.123 10 0 DGAERO C/C(=C/C(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000588496954 1082486179 /nfs/dbraw/zinc/48/61/79/1082486179.db2.gz ALYYJMVMGJPGBM-OWBHPGMISA-N 1 0 306.450 3.471 10 0 DGAERO C/C(=C/c1ccc(C)cc1)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000588545621 1082595968 /nfs/dbraw/zinc/59/59/68/1082595968.db2.gz CEEIDVBSUKCWPW-SSZFMOIBSA-N 1 0 300.446 3.341 10 0 DGAERO CCN1CC[C@H]1C[NH2+]Cc1ccc(C)c(Br)c1C ZINC000712597212 1085761776 /nfs/dbraw/zinc/76/17/76/1085761776.db2.gz XARJJFWTVIZCHX-AWEZNQCLSA-N 1 0 311.267 3.250 10 0 DGAERO CCN1CC[C@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000712602458 1085764658 /nfs/dbraw/zinc/76/46/58/1085764658.db2.gz AXVRGPIZCGBUSQ-LBPRGKRZSA-N 1 0 317.658 3.286 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)OC1 ZINC000713601988 1086540925 /nfs/dbraw/zinc/54/09/25/1086540925.db2.gz RFPXKEBHVJEHDI-IBGZPJMESA-N 1 0 316.489 3.446 10 0 DGAERO C[C@H](C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000176584449 1088034387 /nfs/dbraw/zinc/03/43/87/1088034387.db2.gz BVFITLOCWBSCNZ-RDJZCZTQSA-N 1 0 301.430 3.488 10 0 DGAERO Brc1ccc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC000715542098 1090644860 /nfs/dbraw/zinc/64/48/60/1090644860.db2.gz WZCGLIMPQLFUPW-CABCVRRESA-N 1 0 310.235 3.496 10 0 DGAERO COc1ccc2cc(C[NH2+]CCC3(C)OCCO3)ccc2c1 ZINC000715977487 1091220536 /nfs/dbraw/zinc/22/05/36/1091220536.db2.gz VRSREAFPRXMXNG-UHFFFAOYSA-N 1 0 301.386 3.091 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]C[C@H]3CCC=CO3)CCC[C@H]12 ZINC000711640245 1091328780 /nfs/dbraw/zinc/32/87/80/1091328780.db2.gz NWHNVEIKYKCQQX-RVKKMQEKSA-N 1 0 322.449 3.201 10 0 DGAERO CC(C)[N@H+](C)CCN[C@@H](c1nccn1C)c1ccccc1Cl ZINC000180629744 1093860680 /nfs/dbraw/zinc/86/06/80/1093860680.db2.gz BNYVZKQAMQZMKJ-MRXNPFEDSA-N 1 0 320.868 3.093 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401121684 1093936875 /nfs/dbraw/zinc/93/68/75/1093936875.db2.gz LVEVLDQSNLDXRO-QCODTGAPSA-N 1 0 308.466 3.410 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000401671683 1093963212 /nfs/dbraw/zinc/96/32/12/1093963212.db2.gz ZVYGQHZLDSKVIH-HKUYNNGSSA-N 1 0 324.472 3.289 10 0 DGAERO C[C@@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000401661419 1093963687 /nfs/dbraw/zinc/96/36/87/1093963687.db2.gz VDUDAYBHIFDMBW-QUCCMNQESA-N 1 0 324.472 3.289 10 0 DGAERO Cc1noc(C)c1C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401709166 1093966897 /nfs/dbraw/zinc/96/68/97/1093966897.db2.gz UOKMRFZXUGNUIK-RISCZKNCSA-N 1 0 323.437 3.027 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CCc2ccco2)CN(C(=O)OC(C)(C)C)C1 ZINC000401727755 1093968382 /nfs/dbraw/zinc/96/83/82/1093968382.db2.gz MTHHKFHJIBZMBW-KBPBESRZSA-N 1 0 308.422 3.057 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]Cc2ccns2)CC1 ZINC000404421638 1094257448 /nfs/dbraw/zinc/25/74/48/1094257448.db2.gz CIDLAVOYLYWSIP-ZDUSSCGKSA-N 1 0 323.462 3.022 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CSC2)Cc2ccccc21 ZINC000404478335 1094258135 /nfs/dbraw/zinc/25/81/35/1094258135.db2.gz ZVJPQRLBSDVSRO-CYBMUJFWSA-N 1 0 320.458 3.058 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccns2)C12CCC2 ZINC000404442777 1094258659 /nfs/dbraw/zinc/25/86/59/1094258659.db2.gz LPOIXRAAUSDCHA-QWHCGFSZSA-N 1 0 323.462 3.069 10 0 DGAERO C[C@H]1CSC[C@H]1[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404667429 1094263866 /nfs/dbraw/zinc/26/38/66/1094263866.db2.gz AYLYXSXPFWLUHD-QWHCGFSZSA-N 1 0 314.495 3.023 10 0 DGAERO Cc1ccoc1C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404650421 1094264358 /nfs/dbraw/zinc/26/43/58/1094264358.db2.gz QXLQYEFLXFHRAR-UHFFFAOYSA-N 1 0 308.422 3.373 10 0 DGAERO C[C@@H]([NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)c1ccncc1 ZINC000404772463 1094268460 /nfs/dbraw/zinc/26/84/60/1094268460.db2.gz XKBCJLJWNNFEMI-CQSZACIVSA-N 1 0 319.449 3.427 10 0 DGAERO CC(C)(C)OCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404800521 1094269620 /nfs/dbraw/zinc/26/96/20/1094269620.db2.gz JTQGRMBPLSYPLI-CHWSQXEVSA-N 1 0 314.470 3.083 10 0 DGAERO C[C@@H]1OC[C@@H]([NH2+]CCc2ccc(Br)s2)[C@@H]1C ZINC000405746841 1094426459 /nfs/dbraw/zinc/42/64/59/1094426459.db2.gz WYLSVFQSAOIDFG-WCABBAIRSA-N 1 0 304.253 3.066 10 0 DGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C)c(Br)c1 ZINC000313606797 1095013470 /nfs/dbraw/zinc/01/34/70/1095013470.db2.gz JLCBLBYEAASONV-ZFWWWQNUSA-N 1 0 312.251 3.350 10 0 DGAERO C[C@H](F)CC[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720776404 1095777810 /nfs/dbraw/zinc/77/78/10/1095777810.db2.gz WBHGPDDDJDSGMT-GOEBONIOSA-N 1 0 308.397 3.125 10 0 DGAERO CNC(=O)c1cccc(C[N@H+](C)[C@H](C)Cc2ccsc2)c1 ZINC000081599459 1101802604 /nfs/dbraw/zinc/80/26/04/1101802604.db2.gz ZBJYEOPITYQHMA-CYBMUJFWSA-N 1 0 302.443 3.171 10 0 DGAERO CCCCOCC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724106948 1106627863 /nfs/dbraw/zinc/62/78/63/1106627863.db2.gz SUXARFMXFWDTRG-CABCVRRESA-N 1 0 314.470 3.086 10 0 DGAERO CCC[C@@H](C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)OC ZINC000378838411 1107996275 /nfs/dbraw/zinc/99/62/75/1107996275.db2.gz NQWYNDKJUUYBIL-ZDUSSCGKSA-N 1 0 302.459 3.085 10 0 DGAERO CCC[C@H](C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)OC ZINC000378838410 1107996631 /nfs/dbraw/zinc/99/66/31/1107996631.db2.gz NQWYNDKJUUYBIL-CYBMUJFWSA-N 1 0 302.459 3.085 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1N)CC1([NH+](C)C)CCC1 ZINC000380754071 1108071726 /nfs/dbraw/zinc/07/17/26/1108071726.db2.gz WGUAYGPQUALWKT-UHFFFAOYSA-N 1 0 316.276 3.492 10 0 DGAERO CC(C)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000381040206 1108088708 /nfs/dbraw/zinc/08/87/08/1108088708.db2.gz ZZCYJQQHSOFJON-UHFFFAOYSA-N 1 0 316.276 3.349 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000700732802 1108860217 /nfs/dbraw/zinc/86/02/17/1108860217.db2.gz SLNKEQQUEVUSCA-LJIZCISZSA-N 1 0 308.466 3.410 10 0 DGAERO Cc1ccc(C[NH2+]Cc2cc[nH]c(=O)c2)cc1Br ZINC000392914073 1108939375 /nfs/dbraw/zinc/93/93/75/1108939375.db2.gz ULVQKILRSMRSSA-UHFFFAOYSA-N 1 0 307.191 3.148 10 0 DGAERO CSCCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503820 432002176 /nfs/dbraw/zinc/00/21/76/432002176.db2.gz WFROIPVWYOLIAC-UHFFFAOYSA-N 1 0 320.502 3.432 10 0 DGAERO CC1(C)[C@H]([NH2+]CCc2ccc(Br)cc2)[C@@H]2CCO[C@@H]21 ZINC000278367372 214120698 /nfs/dbraw/zinc/12/06/98/214120698.db2.gz BWGMGYCXAVBKJA-ZNMIVQPWSA-N 1 0 324.262 3.395 10 0 DGAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000079308967 185164232 /nfs/dbraw/zinc/16/42/32/185164232.db2.gz UHQWNJDHPNMGBK-LSDHHAIUSA-N 1 0 320.477 3.176 10 0 DGAERO OC[C@H]([NH2+]Cc1ccc(Br)s1)c1ccsc1 ZINC000309569078 231100057 /nfs/dbraw/zinc/10/00/57/231100057.db2.gz MCLAYCHVRUTXAD-JTQLQIEISA-N 1 0 318.261 3.395 10 0 DGAERO Cc1nnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000309679449 231101749 /nfs/dbraw/zinc/10/17/49/231101749.db2.gz ABLSRFQYRNUWJU-OWCLPIDISA-N 1 0 314.458 3.169 10 0 DGAERO COc1ccc(Cc2nc(C(C)C)c(C[NH3+])s2)cc1OC ZINC000082429593 185181206 /nfs/dbraw/zinc/18/12/06/185181206.db2.gz BMSCZABJIYEDKX-UHFFFAOYSA-N 1 0 306.431 3.333 10 0 DGAERO COCc1nc(-c2cccc(OC)c2)sc1C[NH2+]C(C)C ZINC000082446382 185183622 /nfs/dbraw/zinc/18/36/22/185183622.db2.gz SVWBOIBBDDCCIB-UHFFFAOYSA-N 1 0 306.431 3.463 10 0 DGAERO COc1cc(CCCCC[NH3+])c(OC)cc1Br ZINC000096889504 185390451 /nfs/dbraw/zinc/39/04/51/185390451.db2.gz NFUNJQITMZUPAV-UHFFFAOYSA-N 1 0 302.212 3.138 10 0 DGAERO OCCC1(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000310048221 231110426 /nfs/dbraw/zinc/11/04/26/231110426.db2.gz BNZGOGFYEFECDK-UHFFFAOYSA-N 1 0 318.642 3.355 10 0 DGAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cnn1C ZINC000328615564 231246773 /nfs/dbraw/zinc/24/67/73/231246773.db2.gz AXCVYRLUWNUCMS-HHBBGTKASA-N 1 0 315.417 3.065 10 0 DGAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cnn1C ZINC000328615563 231247116 /nfs/dbraw/zinc/24/71/16/231247116.db2.gz AXCVYRLUWNUCMS-BKBPNQFYSA-N 1 0 315.417 3.065 10 0 DGAERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cccc3cc[nH]c32)cn1 ZINC000328629407 231265215 /nfs/dbraw/zinc/26/52/15/231265215.db2.gz IDNKTNHEIQVPON-PKOBYXMFSA-N 1 0 324.428 3.394 10 0 DGAERO [NH3+][C@@H](C(=O)Nc1ccc(Br)c(F)c1)c1ccccc1 ZINC000088083839 185239164 /nfs/dbraw/zinc/23/91/64/185239164.db2.gz ZKNJMALSXWBDBK-CYBMUJFWSA-N 1 0 323.165 3.227 10 0 DGAERO CC[NH+](CC)CCSCc1nc2sc(C)c(C)c2c(N)n1 ZINC000088734562 185263803 /nfs/dbraw/zinc/26/38/03/185263803.db2.gz GGPXNNXCYFLPPH-UHFFFAOYSA-N 1 0 324.519 3.465 10 0 DGAERO CC[C@H](C)C[N@H+](CC)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000177848033 529658278 /nfs/dbraw/zinc/65/82/78/529658278.db2.gz KJVDLIXXBBYTMR-NSHDSACASA-N 1 0 319.474 3.341 10 0 DGAERO COc1cccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1F ZINC000090623324 185307265 /nfs/dbraw/zinc/30/72/65/185307265.db2.gz MZLNLFQWKWCFNW-UHFFFAOYSA-N 1 0 316.376 3.457 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000092509955 185323149 /nfs/dbraw/zinc/32/31/49/185323149.db2.gz JXBMNPKPJPFGBT-INIZCTEOSA-N 1 0 300.402 3.266 10 0 DGAERO CC(C)Cc1ncc(C[NH+]2CCC(n3ccnc3)CC2)s1 ZINC000092659333 185331901 /nfs/dbraw/zinc/33/19/01/185331901.db2.gz PPXPNMHKYPQBJL-UHFFFAOYSA-N 1 0 304.463 3.375 10 0 DGAERO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000092704823 185333955 /nfs/dbraw/zinc/33/39/55/185333955.db2.gz QSACFDFYMNMDNR-AWEZNQCLSA-N 1 0 309.479 3.052 10 0 DGAERO Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)n2c1 ZINC000092789036 185341317 /nfs/dbraw/zinc/34/13/17/185341317.db2.gz DMYRLHVZSDXLGF-CQSZACIVSA-N 1 0 312.442 3.479 10 0 DGAERO Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092810700 185342673 /nfs/dbraw/zinc/34/26/73/185342673.db2.gz ABHZEWGGFAPCJG-UHFFFAOYSA-N 1 0 321.428 3.283 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC000181591219 199324005 /nfs/dbraw/zinc/32/40/05/199324005.db2.gz LLMCHFKMJIVFPZ-LBPRGKRZSA-N 1 0 322.424 3.180 10 0 DGAERO CN(C)c1ccncc1C[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328617220 529800356 /nfs/dbraw/zinc/80/03/56/529800356.db2.gz CMOKDWMBZDOYHB-VQIMIIECSA-N 1 0 311.429 3.015 10 0 DGAERO CN1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)[C@@H]1c1cccnc1 ZINC000328627434 529794440 /nfs/dbraw/zinc/79/44/40/529794440.db2.gz GDELRTFOLXBCOU-HBMCJLEFSA-N 1 0 321.468 3.222 10 0 DGAERO Cc1nn(C)cc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000187776086 282298500 /nfs/dbraw/zinc/29/85/00/282298500.db2.gz AMEXNTRHASMXOC-OKZBNKHCSA-N 1 0 310.445 3.051 10 0 DGAERO CCc1ccc2c(C[NH2+][C@@H](C)[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000183127224 199542226 /nfs/dbraw/zinc/54/22/26/199542226.db2.gz JDAQXNZTSYACMI-LRDDRELGSA-N 1 0 301.386 3.013 10 0 DGAERO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nc(C2CCCC2)no1 ZINC000154404458 529930242 /nfs/dbraw/zinc/93/02/42/529930242.db2.gz SCOJMXBWCPXAOE-HNNXBMFYSA-N 1 0 306.454 3.033 10 0 DGAERO C[NH2+][C@@H](C)COc1ccc(Br)cc1Br ZINC000103283200 185443615 /nfs/dbraw/zinc/44/36/15/185443615.db2.gz IRKLIIVPIFJZJH-ZETCQYMHSA-N 1 0 323.028 3.198 10 0 DGAERO CCN(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065517184 432011525 /nfs/dbraw/zinc/01/15/25/432011525.db2.gz SDPIBJOYBDKPFI-KRWDZBQOSA-N 1 0 303.450 3.093 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000129942555 432011826 /nfs/dbraw/zinc/01/18/26/432011826.db2.gz XXZMXRSYBLEMHE-ZDUSSCGKSA-N 1 0 301.434 3.245 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)CC(C)C)[C@H](C)C1 ZINC000129996500 432012418 /nfs/dbraw/zinc/01/24/18/432012418.db2.gz RUOAXGOPJKAVQE-HZPDHXFCSA-N 1 0 311.514 3.430 10 0 DGAERO Cc1oncc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000130058300 432013593 /nfs/dbraw/zinc/01/35/93/432013593.db2.gz BRJUALNYANRHDA-OAHLLOKOSA-N 1 0 323.400 3.148 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)Nc1ccnc(Cl)c1)c1ccccc1 ZINC000181859017 199363435 /nfs/dbraw/zinc/36/34/35/199363435.db2.gz WELNSXUIDLPXKO-CQSZACIVSA-N 1 0 318.808 3.159 10 0 DGAERO COC(=O)c1ccc(Cl)c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181965425 199367399 /nfs/dbraw/zinc/36/73/99/199367399.db2.gz NMRQCTDZMNJQTI-IUODEOHRSA-N 1 0 324.852 3.041 10 0 DGAERO Cc1ccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c(C)n1 ZINC000115254820 185670584 /nfs/dbraw/zinc/67/05/84/185670584.db2.gz QCNYWZAZRFPHKT-UHFFFAOYSA-N 1 0 315.461 3.035 10 0 DGAERO CC(C)[NH+](CCCNC(=O)N[C@H]1CCCC(F)(F)C1)C(C)C ZINC000494404873 535054238 /nfs/dbraw/zinc/05/42/38/535054238.db2.gz LCOAHQUGCQHUOR-AWEZNQCLSA-N 1 0 319.440 3.372 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Br)c1 ZINC000083552898 192371768 /nfs/dbraw/zinc/37/17/68/192371768.db2.gz JXPYNDXZKYTPDF-IUODEOHRSA-N 1 0 309.251 3.118 10 0 DGAERO C[C@@H]1CCCN(Cc2cc(Br)ccc2F)[C@@H]1C[NH3+] ZINC000070175393 190867949 /nfs/dbraw/zinc/86/79/49/190867949.db2.gz PYFWCWCGJKEDQO-QMTHXVAHSA-N 1 0 315.230 3.147 10 0 DGAERO Cc1ccc(-c2nc(C(C)C)cc(N3CCC[NH2+]CC3)n2)cc1 ZINC000070451914 190895165 /nfs/dbraw/zinc/89/51/65/190895165.db2.gz IKTIITRNFBMBOB-UHFFFAOYSA-N 1 0 310.445 3.375 10 0 DGAERO c1cc2c(cc1[C@H]([NH2+][C@H]1CCCSC1)C1CC1)OCCO2 ZINC000183458820 199599086 /nfs/dbraw/zinc/59/90/86/199599086.db2.gz KEIKWADEBHFLRP-WMLDXEAASA-N 1 0 305.443 3.394 10 0 DGAERO COc1cccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1F ZINC000133590747 185997636 /nfs/dbraw/zinc/99/76/36/185997636.db2.gz LBNGHFAIYJOLKU-UHFFFAOYSA-N 1 0 322.424 3.028 10 0 DGAERO Cc1ccc(CN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106901510 432024664 /nfs/dbraw/zinc/02/46/64/432024664.db2.gz YVUSEOLLVDUUDK-LJQANCHMSA-N 1 0 310.441 3.126 10 0 DGAERO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000152399186 186068794 /nfs/dbraw/zinc/06/87/94/186068794.db2.gz KZVQDMHKAGOFQW-AAEUAGOBSA-N 1 0 310.825 3.010 10 0 DGAERO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCO2)c1 ZINC000152665230 186095913 /nfs/dbraw/zinc/09/59/13/186095913.db2.gz BXYRVZVKHOQXBA-UHFFFAOYSA-N 1 0 310.397 3.096 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000164262319 186153601 /nfs/dbraw/zinc/15/36/01/186153601.db2.gz ANUQWNNBCNNMQC-CABZTGNLSA-N 1 0 304.253 3.151 10 0 DGAERO CC(C)[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480296 186166219 /nfs/dbraw/zinc/16/62/19/186166219.db2.gz SCUXHPLROXYSAW-QZTJIDSGSA-N 1 0 300.446 3.123 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc2cccnc21 ZINC000173332522 186177782 /nfs/dbraw/zinc/17/77/82/186177782.db2.gz BHJOKQPUQGNDLM-HZPDHXFCSA-N 1 0 324.428 3.325 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)s1 ZINC000177910776 186202571 /nfs/dbraw/zinc/20/25/71/186202571.db2.gz ZIYUJDDTZUNOGR-LLVKDONJSA-N 1 0 313.430 3.191 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2nc3ccccc3n2C(F)F)C1 ZINC000187982480 186239355 /nfs/dbraw/zinc/23/93/55/186239355.db2.gz VOYIXYHXIFAAOV-YVEFUNNKSA-N 1 0 323.387 3.414 10 0 DGAERO C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000189938223 186252044 /nfs/dbraw/zinc/25/20/44/186252044.db2.gz ZGSFRFIDKQHNSK-CRAIPNDOSA-N 1 0 316.445 3.079 10 0 DGAERO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000171548884 197939159 /nfs/dbraw/zinc/93/91/59/197939159.db2.gz ZQNLQZSTDOZQCK-ZDUSSCGKSA-N 1 0 318.371 3.028 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000130486412 432026128 /nfs/dbraw/zinc/02/61/28/432026128.db2.gz HQGJOOVFNSAKQY-BDJLRTHQSA-N 1 0 307.340 3.358 10 0 DGAERO COc1ccc(Br)cc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000107041548 432026666 /nfs/dbraw/zinc/02/66/66/432026666.db2.gz DJNRFBGCIFRQGY-LLVKDONJSA-N 1 0 316.239 3.049 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000182038012 199378434 /nfs/dbraw/zinc/37/84/34/199378434.db2.gz GOMJSKSIXODFHE-MRXNPFEDSA-N 1 0 310.445 3.232 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)CC2 ZINC000171981299 198020332 /nfs/dbraw/zinc/02/03/32/198020332.db2.gz FQJYNPUGDKKBHN-YPMHNXCESA-N 1 0 320.387 3.345 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000172169819 198051697 /nfs/dbraw/zinc/05/16/97/198051697.db2.gz OSWUWHHTFGQZCS-STQMWFEESA-N 1 0 302.418 3.385 10 0 DGAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCCC2)c(OC)c1 ZINC000172170078 198052092 /nfs/dbraw/zinc/05/20/92/198052092.db2.gz AYCPDZRGYSFZBZ-STQMWFEESA-N 1 0 320.433 3.199 10 0 DGAERO CCSc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000172216693 198059633 /nfs/dbraw/zinc/05/96/33/198059633.db2.gz VIUHQJCFRMLTDW-CQSZACIVSA-N 1 0 305.447 3.111 10 0 DGAERO CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000172304178 198076291 /nfs/dbraw/zinc/07/62/91/198076291.db2.gz OTCZKOJGJNAMOQ-UHFFFAOYSA-N 1 0 315.461 3.366 10 0 DGAERO CCn1c(C)nnc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000172329194 198080022 /nfs/dbraw/zinc/08/00/22/198080022.db2.gz JCQOKLPZVHXVQZ-WFASDCNBSA-N 1 0 302.397 3.124 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000173306692 198206738 /nfs/dbraw/zinc/20/67/38/198206738.db2.gz YSNNCPGPDISOCT-STQMWFEESA-N 1 0 316.367 3.077 10 0 DGAERO O[C@H](C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1cccc(Cl)c1 ZINC000173399254 198211504 /nfs/dbraw/zinc/21/15/04/198211504.db2.gz LBPBDKMMTNJDKD-HZPDHXFCSA-N 1 0 305.809 3.324 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@H](C)Cc1ccccc1OC ZINC000107345708 432030941 /nfs/dbraw/zinc/03/09/41/432030941.db2.gz QMNZDSBWDOOOAQ-CVEARBPZSA-N 1 0 320.477 3.110 10 0 DGAERO CSc1ccc(OCC[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000173651965 198236599 /nfs/dbraw/zinc/23/65/99/198236599.db2.gz VCDHWVWINFDCRI-KRWDZBQOSA-N 1 0 317.458 3.358 10 0 DGAERO Cc1cccc([C@H](C)[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000173671136 198239078 /nfs/dbraw/zinc/23/90/78/198239078.db2.gz RCUIRPONOVVNMC-FUHWJXTLSA-N 1 0 310.445 3.447 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000107390570 432031887 /nfs/dbraw/zinc/03/18/87/432031887.db2.gz MOPITKOEQVAXCL-OAHLLOKOSA-N 1 0 303.450 3.169 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2SCCc3sccc32)CC[N@@H+]1C ZINC000173749108 198247818 /nfs/dbraw/zinc/24/78/18/198247818.db2.gz QPQPLKNYNFZGNX-XUJVJEKNSA-N 1 0 324.515 3.020 10 0 DGAERO C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2nnc(C3CC3)n2C)C1 ZINC000173923277 198269369 /nfs/dbraw/zinc/26/93/69/198269369.db2.gz DQYHCTKWMZINFV-WBMJQRKESA-N 1 0 314.408 3.415 10 0 DGAERO COc1ccccc1N1CCC([NH2+][C@H](C)c2ccncc2)CC1 ZINC000174021187 198282594 /nfs/dbraw/zinc/28/25/94/198282594.db2.gz OGXFMAMUMIQBAS-OAHLLOKOSA-N 1 0 311.429 3.410 10 0 DGAERO CCC[C@H](O)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000131079925 432032650 /nfs/dbraw/zinc/03/26/50/432032650.db2.gz LAXSZOSALUWECD-OCCSQVGLSA-N 1 0 301.377 3.360 10 0 DGAERO CSc1ccsc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174254015 198311257 /nfs/dbraw/zinc/31/12/57/198311257.db2.gz WQNJCMYQBXKIPA-YOGCLGLASA-N 1 0 310.488 3.215 10 0 DGAERO Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000174180677 198302855 /nfs/dbraw/zinc/30/28/55/198302855.db2.gz CHVWNNHXCIZLNO-SJORKVTESA-N 1 0 301.434 3.474 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000174326119 198320416 /nfs/dbraw/zinc/32/04/16/198320416.db2.gz QAAFNXXZWDQCAV-VHSXEESVSA-N 1 0 315.339 3.050 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccccc2Cl)CC[N@@H+]1C ZINC000174398532 198329386 /nfs/dbraw/zinc/32/93/86/198329386.db2.gz SHICATJZRIIMIN-UKRRQHHQSA-N 1 0 323.868 3.007 10 0 DGAERO CSc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174426683 198333511 /nfs/dbraw/zinc/33/35/11/198333511.db2.gz BQBNECMYXVTKIN-QWHCGFSZSA-N 1 0 307.463 3.355 10 0 DGAERO CC(C)n1c2ccccc2nc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000067654108 432033486 /nfs/dbraw/zinc/03/34/86/432033486.db2.gz OGZSAXFIPKGPQN-INIZCTEOSA-N 1 0 312.461 3.287 10 0 DGAERO O=C(c1cc(Cl)ccc1O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107531275 432034168 /nfs/dbraw/zinc/03/41/68/432034168.db2.gz HBIJIDLGAKBFJD-CQSZACIVSA-N 1 0 322.836 3.136 10 0 DGAERO Cc1nc2ccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2o1 ZINC000174810126 198388250 /nfs/dbraw/zinc/38/82/50/198388250.db2.gz BBLYADXDMGCNDC-RISCZKNCSA-N 1 0 316.405 3.083 10 0 DGAERO O=C(NCc1ccc(Cl)cn1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000182169869 199397179 /nfs/dbraw/zinc/39/71/79/199397179.db2.gz WAGNRGPVVWGDCY-CYBMUJFWSA-N 1 0 321.852 3.006 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000236781820 202006534 /nfs/dbraw/zinc/00/65/34/202006534.db2.gz KFNFVVXRTHWKFB-XJKSGUPXSA-N 1 0 304.434 3.140 10 0 DGAERO CC[C@@H](CSC)[N@H+](C)Cc1cncc(Br)c1 ZINC000163668201 432040089 /nfs/dbraw/zinc/04/00/89/432040089.db2.gz OVNINMAUVNRXHF-LBPRGKRZSA-N 1 0 303.269 3.418 10 0 DGAERO Cc1nc(CN2CCC[C@@H]2c2cnn(C)c2)nc2ccccc12 ZINC000107897162 432042913 /nfs/dbraw/zinc/04/29/13/432042913.db2.gz PKCUEJCUDWMVKL-QGZVFWFLSA-N 1 0 307.401 3.009 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000073654877 191336546 /nfs/dbraw/zinc/33/65/46/191336546.db2.gz NIDFPCBMNHODCC-ZBFHGGJFSA-N 1 0 304.434 3.422 10 0 DGAERO CCc1nc(-c2ccccc2F)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000073685152 191341502 /nfs/dbraw/zinc/34/15/02/191341502.db2.gz CPFSOWBCQVQGSO-ZDUSSCGKSA-N 1 0 314.408 3.317 10 0 DGAERO Clc1nc2c3ccccc3oc2c(NCC2CC[NH2+]CC2)n1 ZINC000073736291 191349274 /nfs/dbraw/zinc/34/92/74/191349274.db2.gz FLQIHBLWGGYOSF-UHFFFAOYSA-N 1 0 316.792 3.441 10 0 DGAERO O=C(C[C@H]1CCC[N@@H+]1CC1CCOCC1)c1ccc(F)cc1 ZINC000179162430 432047146 /nfs/dbraw/zinc/04/71/46/432047146.db2.gz ZIWCJIFSXNVKHT-QGZVFWFLSA-N 1 0 305.393 3.290 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000164320351 432047203 /nfs/dbraw/zinc/04/72/03/432047203.db2.gz HOXHNYQZSONTGM-NHYWBVRUSA-N 1 0 309.841 3.499 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000132461766 432049607 /nfs/dbraw/zinc/04/96/07/432049607.db2.gz OGCPAXZILQCVOT-QLFBSQMISA-N 1 0 321.490 3.323 10 0 DGAERO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)COc1ccccc1F ZINC000068047626 432049857 /nfs/dbraw/zinc/04/98/57/432049857.db2.gz VIJPZXLNDUJUEJ-HNNXBMFYSA-N 1 0 323.795 3.351 10 0 DGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000078691202 191912451 /nfs/dbraw/zinc/91/24/51/191912451.db2.gz HXKORBQWRJRJIX-RYUDHWBXSA-N 1 0 310.413 3.178 10 0 DGAERO CCCCCCNC(=O)c1ccc(C(=O)CCCC[NH3+])cc1 ZINC000005418057 181241408 /nfs/dbraw/zinc/24/14/08/181241408.db2.gz ZQZOYTNXYFUXHF-UHFFFAOYSA-N 1 0 304.434 3.308 10 0 DGAERO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000080715881 192184363 /nfs/dbraw/zinc/18/43/63/192184363.db2.gz LSJFZRBXVHPQIO-FCLXEUQJSA-N 1 0 304.409 3.061 10 0 DGAERO C[C@@H](Cc1ccccc1F)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080715828 192184935 /nfs/dbraw/zinc/18/49/35/192184935.db2.gz IMTKXGGVMJTSJH-LNRIEFBSSA-N 1 0 318.436 3.136 10 0 DGAERO CCOC[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000081519099 192278942 /nfs/dbraw/zinc/27/89/42/192278942.db2.gz DOHDABDBEUOFPX-ZDUSSCGKSA-N 1 0 304.365 3.339 10 0 DGAERO CCCOc1ccc(NC(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000179433881 432058397 /nfs/dbraw/zinc/05/83/97/432058397.db2.gz JQQLAQBENQPRST-HNNXBMFYSA-N 1 0 305.422 3.081 10 0 DGAERO CCCOc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1OCCC ZINC000236851655 202037580 /nfs/dbraw/zinc/03/75/80/202037580.db2.gz ASWLCCNYSBYOBS-HUUCEWRRSA-N 1 0 320.433 3.330 10 0 DGAERO CCC[C@@H]([NH3+])C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000236915944 202069030 /nfs/dbraw/zinc/06/90/30/202069030.db2.gz VGTJVSLQPKTLHN-CYBMUJFWSA-N 1 0 323.506 3.274 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1C ZINC000166527855 432060490 /nfs/dbraw/zinc/06/04/90/432060490.db2.gz XQSOZBIRYBJOQV-FUHWJXTLSA-N 1 0 312.461 3.357 10 0 DGAERO CCCc1ncc(C(=O)Nc2ccccc2C[NH2+]CC)s1 ZINC000236945658 202086018 /nfs/dbraw/zinc/08/60/18/202086018.db2.gz PXWBEQVRNNKNMP-UHFFFAOYSA-N 1 0 303.431 3.457 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(Cl)s1 ZINC000166495836 432060454 /nfs/dbraw/zinc/06/04/54/432060454.db2.gz GFBPHHDENZSKDD-VXGBXAGGSA-N 1 0 324.881 3.455 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166475156 432060588 /nfs/dbraw/zinc/06/05/88/432060588.db2.gz QRHCURBJYBFFOQ-YJBOKZPZSA-N 1 0 312.461 3.302 10 0 DGAERO CCCN(CC)c1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000236964932 202097059 /nfs/dbraw/zinc/09/70/59/202097059.db2.gz HVFSEFLIKMYTAY-MRXNPFEDSA-N 1 0 317.477 3.042 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccs1 ZINC000166532709 432060636 /nfs/dbraw/zinc/06/06/36/432060636.db2.gz ABILCLRHTCXWSG-UKRRQHHQSA-N 1 0 304.463 3.191 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc2c(c1)CCC2 ZINC000166504239 432060750 /nfs/dbraw/zinc/06/07/50/432060750.db2.gz VVIHLXQNLATORC-BEFAXECRSA-N 1 0 324.472 3.228 10 0 DGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)C2CCOCC2)C1 ZINC000133331695 432060805 /nfs/dbraw/zinc/06/08/05/432060805.db2.gz LBAYVKJUHGFWSL-HOTGVXAUSA-N 1 0 324.509 3.066 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000237090873 202150675 /nfs/dbraw/zinc/15/06/75/202150675.db2.gz VRIKZWWEAXNURQ-UHFFFAOYSA-N 1 0 323.318 3.462 10 0 DGAERO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(OCc2ccccc2)c1 ZINC000237143141 202165615 /nfs/dbraw/zinc/16/56/15/202165615.db2.gz BEWZQETWYYYYTI-SFHVURJKSA-N 1 0 324.424 3.090 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000179540195 432061980 /nfs/dbraw/zinc/06/19/80/432061980.db2.gz XHMDBKWBVVWHPO-KRWDZBQOSA-N 1 0 309.417 3.250 10 0 DGAERO CCC[C@@H](C(=O)NCCc1csc2ccccc12)[NH+](C)C ZINC000179537363 432061731 /nfs/dbraw/zinc/06/17/31/432061731.db2.gz BXJFARQCGBVARY-HNNXBMFYSA-N 1 0 304.459 3.290 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cncc(F)c1 ZINC000177827398 198784786 /nfs/dbraw/zinc/78/47/86/198784786.db2.gz CFYHGSFDAGSDBB-NWDGAFQWSA-N 1 0 322.405 3.036 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)cc(F)c1 ZINC000166568123 432062268 /nfs/dbraw/zinc/06/22/68/432062268.db2.gz XJFDGNVYKJJRGV-LRDDRELGSA-N 1 0 320.387 3.018 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)cc(F)c1 ZINC000166567907 432062344 /nfs/dbraw/zinc/06/23/44/432062344.db2.gz XJFDGNVYKJJRGV-BLLLJJGKSA-N 1 0 320.387 3.018 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000469277351 283219458 /nfs/dbraw/zinc/21/94/58/283219458.db2.gz FFYNZVMJHLAVDZ-QGZVFWFLSA-N 1 0 319.493 3.472 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)C1CCCCC1 ZINC000166642016 432062410 /nfs/dbraw/zinc/06/24/10/432062410.db2.gz DPYFNCRBNKGULA-SJLPKXTDSA-N 1 0 304.482 3.337 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(Nc3ccccc3)nc2)C1 ZINC000166785004 432062544 /nfs/dbraw/zinc/06/25/44/432062544.db2.gz KYUFFXAWNVQSJQ-KGLIPLIRSA-N 1 0 310.401 3.281 10 0 DGAERO CN(C(=O)Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237213209 202191934 /nfs/dbraw/zinc/19/19/34/202191934.db2.gz QVEOINYMMFXMQK-DFNIBXOVSA-N 1 0 308.425 3.124 10 0 DGAERO O=C(Nc1cccc2c1C[NH2+]CC2)c1ccc(F)cc1Cl ZINC000167367109 432065188 /nfs/dbraw/zinc/06/51/88/432065188.db2.gz JUAUNWPAWHODCM-UHFFFAOYSA-N 1 0 304.752 3.377 10 0 DGAERO CCC[C@H](C)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000179674414 432067293 /nfs/dbraw/zinc/06/72/93/432067293.db2.gz OJGVYWHVHHIKJX-HNNXBMFYSA-N 1 0 306.425 3.410 10 0 DGAERO CCC(CC)n1nc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000179674379 432067454 /nfs/dbraw/zinc/06/74/54/432067454.db2.gz WZZKCXNGYZXZLV-CZUORRHYSA-N 1 0 320.481 3.107 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000134083955 432073036 /nfs/dbraw/zinc/07/30/36/432073036.db2.gz RGKGRKSTPNLWME-IRXDYDNUSA-N 1 0 317.477 3.333 10 0 DGAERO CCC[N@@H+](Cc1ccccc1NC(C)=O)C[C@@H]1CCCCO1 ZINC000093132498 283296641 /nfs/dbraw/zinc/29/66/41/283296641.db2.gz UXMFHIDNDVUAML-KRWDZBQOSA-N 1 0 304.434 3.426 10 0 DGAERO CCC[C@H](C(=O)Nc1cccc(-c2ccnc(C)n2)c1)[NH+](C)C ZINC000179487068 199044589 /nfs/dbraw/zinc/04/45/89/199044589.db2.gz YYQDXOJBAJIMOS-QGZVFWFLSA-N 1 0 312.417 3.121 10 0 DGAERO C[C@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)Cc1ccc(Cl)cc1 ZINC000179905594 432073696 /nfs/dbraw/zinc/07/36/96/432073696.db2.gz CJQVHCSHAOMMRM-XJKSGUPXSA-N 1 0 308.853 3.071 10 0 DGAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000037969710 283313942 /nfs/dbraw/zinc/31/39/42/283313942.db2.gz DJFHUEHMGKHACD-ZDUSSCGKSA-N 1 0 300.324 3.154 10 0 DGAERO CCCC(CCC)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184949254 199785389 /nfs/dbraw/zinc/78/53/89/199785389.db2.gz JPGKVFDZUPZVJQ-UHFFFAOYSA-N 1 0 309.429 3.116 10 0 DGAERO CC(C)CC[C@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185027370 199798013 /nfs/dbraw/zinc/79/80/13/199798013.db2.gz MPTSODKQEZSALE-OAHLLOKOSA-N 1 0 302.422 3.476 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000180124071 199120633 /nfs/dbraw/zinc/12/06/33/199120633.db2.gz KFEPIDRVVLKPRK-GOSISDBHSA-N 1 0 321.428 3.246 10 0 DGAERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C)c1 ZINC000180140826 199122149 /nfs/dbraw/zinc/12/21/49/199122149.db2.gz ZHPSEBILRAPKCV-RTBURBONSA-N 1 0 308.425 3.479 10 0 DGAERO Cc1cnc(CC[N@H+](C)CCC(=O)c2ccc(F)cc2)s1 ZINC000180172245 199126454 /nfs/dbraw/zinc/12/64/54/199126454.db2.gz ZDFLXRGGERIBGI-UHFFFAOYSA-N 1 0 306.406 3.338 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H]1c1ccccc1 ZINC000180186810 199127521 /nfs/dbraw/zinc/12/75/21/199127521.db2.gz DPDRYPNVKQUYMS-DOMZBBRYSA-N 1 0 304.777 3.108 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000237311316 202225794 /nfs/dbraw/zinc/22/57/94/202225794.db2.gz MLKXLEDOUQVLTN-KBPBESRZSA-N 1 0 304.434 3.358 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000170652074 432075547 /nfs/dbraw/zinc/07/55/47/432075547.db2.gz SQISTJMUBYMJFR-HNNXBMFYSA-N 1 0 306.475 3.289 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)CC2 ZINC000180499579 199166966 /nfs/dbraw/zinc/16/69/66/199166966.db2.gz BIIQRNCXDQPPDB-ROUUACIJSA-N 1 0 324.472 3.327 10 0 DGAERO CC(C)Sc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180584185 199179553 /nfs/dbraw/zinc/17/95/53/199179553.db2.gz KEKCKJDMXQRNOD-DZGCQCFKSA-N 1 0 316.474 3.444 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(-c2ccncc2)c1 ZINC000180597532 199182324 /nfs/dbraw/zinc/18/23/24/199182324.db2.gz GPLGQEQABYZEFQ-RDTXWAMCSA-N 1 0 319.412 3.006 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000180667813 199193262 /nfs/dbraw/zinc/19/32/62/199193262.db2.gz WKIGXVZEKIFQJQ-JXFKEZNVSA-N 1 0 321.424 3.127 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(Cl)cn2)c1 ZINC000180924561 199228538 /nfs/dbraw/zinc/22/85/38/199228538.db2.gz DSGGFERRVYCGQX-UHFFFAOYSA-N 1 0 318.808 3.118 10 0 DGAERO Cc1ccc(-c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)s2)o1 ZINC000180928808 199228923 /nfs/dbraw/zinc/22/89/23/199228923.db2.gz JNQHXAGXCLUNEY-GFCCVEGCSA-N 1 0 304.415 3.093 10 0 DGAERO c1ccc(-c2nc(N3CC[NH2+]CC3)oc2-c2ccccc2)cc1 ZINC000005934522 181297881 /nfs/dbraw/zinc/29/78/81/181297881.db2.gz ZZMAMUSXLOFMFS-UHFFFAOYSA-N 1 0 305.381 3.418 10 0 DGAERO COc1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)ccc1O ZINC000180114179 432077823 /nfs/dbraw/zinc/07/78/23/432077823.db2.gz QZTHIGBKCGEOBU-HKUYNNGSSA-N 1 0 313.397 3.411 10 0 DGAERO CCC[C@@H]1C[C@H](C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000180111696 432077868 /nfs/dbraw/zinc/07/78/68/432077868.db2.gz OVLVSMLKHJFKDU-FGTMMUONSA-N 1 0 322.493 3.059 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000180080088 432078079 /nfs/dbraw/zinc/07/80/79/432078079.db2.gz DWZNUXFBTMDGHC-UHFFFAOYSA-N 1 0 324.472 3.355 10 0 DGAERO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000181100386 199252915 /nfs/dbraw/zinc/25/29/15/199252915.db2.gz MVZCXKOZRZBKSX-AWEZNQCLSA-N 1 0 310.401 3.498 10 0 DGAERO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000181100404 199253137 /nfs/dbraw/zinc/25/31/37/199253137.db2.gz MVZCXKOZRZBKSX-CQSZACIVSA-N 1 0 310.401 3.498 10 0 DGAERO Cc1ccc(Br)cc1C[NH2+][C@@](C)(CO)C(C)C ZINC000398454661 293854623 /nfs/dbraw/zinc/85/46/23/293854623.db2.gz FVLDGLAXAHQACN-AWEZNQCLSA-N 1 0 300.240 3.254 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180100837 432078370 /nfs/dbraw/zinc/07/83/70/432078370.db2.gz AWUTUWSNWAOHPV-LSTHTHJFSA-N 1 0 322.452 3.427 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccc(C)cc1)C1CC1)CC2 ZINC000180168189 432080097 /nfs/dbraw/zinc/08/00/97/432080097.db2.gz SGNIPFYGWUHOAE-LPHOPBHVSA-N 1 0 310.445 3.205 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@@H]1c1ccccc1 ZINC000180156294 432080116 /nfs/dbraw/zinc/08/01/16/432080116.db2.gz YCJIETYBEIRNIQ-IRXDYDNUSA-N 1 0 316.351 3.140 10 0 DGAERO Brc1ccc([C@H]([NH2+]CCn2cccn2)C2CC2)cc1 ZINC000180160896 432080276 /nfs/dbraw/zinc/08/02/76/432080276.db2.gz SPYAZSRBRMUAAZ-OAHLLOKOSA-N 1 0 320.234 3.387 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1cccc(N2CCCC2=O)c1 ZINC000180252972 432082176 /nfs/dbraw/zinc/08/21/76/432082176.db2.gz VOQLRHURDXSNRH-MAUKXSAKSA-N 1 0 316.445 3.423 10 0 DGAERO CC(C)C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170826270 432083419 /nfs/dbraw/zinc/08/34/19/432083419.db2.gz PDPGBYRDTMBIQU-IAGOWNOFSA-N 1 0 303.450 3.119 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000186756456 200005678 /nfs/dbraw/zinc/00/56/78/200005678.db2.gz ZWHDZVVXBDZNQZ-HOCLYGCPSA-N 1 0 318.486 3.206 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc(F)c1 ZINC000186841911 200020489 /nfs/dbraw/zinc/02/04/89/200020489.db2.gz LTLPZKWGFKMWOU-SJORKVTESA-N 1 0 314.408 3.325 10 0 DGAERO C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170834653 432084229 /nfs/dbraw/zinc/08/42/29/432084229.db2.gz LFPRZUKUXAYBFX-WBVHZDCISA-N 1 0 317.477 3.088 10 0 DGAERO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)C1 ZINC000186984352 200042983 /nfs/dbraw/zinc/04/29/83/200042983.db2.gz OLVKMSMUOLWXNF-GFCCVEGCSA-N 1 0 311.376 3.214 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000186991625 200044377 /nfs/dbraw/zinc/04/43/77/200044377.db2.gz HMIQHCJVHZFZET-GQCTYLIASA-N 1 0 304.409 3.172 10 0 DGAERO CC(F)(F)c1cccc(NC(=O)NCC[NH+]2CCCCC2)c1 ZINC000187022222 200048843 /nfs/dbraw/zinc/04/88/43/200048843.db2.gz CICXZNTXUWLWAW-UHFFFAOYSA-N 1 0 311.376 3.406 10 0 DGAERO CC[N@H+](CCNC(=O)Nc1cccc(C(C)(F)F)c1)C1CC1 ZINC000187024932 200049062 /nfs/dbraw/zinc/04/90/62/200049062.db2.gz HJVLVHOMTLZLFK-UHFFFAOYSA-N 1 0 311.376 3.404 10 0 DGAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(C)CCC1 ZINC000187284437 200088270 /nfs/dbraw/zinc/08/82/70/200088270.db2.gz ULCUJAGKXBAYEB-UHFFFAOYSA-N 1 0 315.866 3.413 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000170863681 432084795 /nfs/dbraw/zinc/08/47/95/432084795.db2.gz SPURHWUXSCESIL-INIZCTEOSA-N 1 0 310.397 3.255 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000170858634 432085048 /nfs/dbraw/zinc/08/50/48/432085048.db2.gz DKTIEYTVCVWUKZ-INIZCTEOSA-N 1 0 309.413 3.206 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2csc(-c3ccccn3)n2)C1 ZINC000187932816 200178322 /nfs/dbraw/zinc/17/83/22/200178322.db2.gz AGDCTDZTAAMPRT-SUMWQHHRSA-N 1 0 317.458 3.188 10 0 DGAERO CC[C@@H]1[C@H](C)CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000187967016 200184148 /nfs/dbraw/zinc/18/41/48/200184148.db2.gz WSIXPYHVJWGKFU-CXAGYDPISA-N 1 0 321.440 3.217 10 0 DGAERO Cc1ccccc1[C@@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237517271 202269238 /nfs/dbraw/zinc/26/92/38/202269238.db2.gz KDIXJQDTBRBOKA-PMRDEQMMSA-N 1 0 300.446 3.230 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccsc1 ZINC000188059822 200188115 /nfs/dbraw/zinc/18/81/15/200188115.db2.gz JEUFGQLCEXWTHX-KBPBESRZSA-N 1 0 309.381 3.234 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000188095833 200193084 /nfs/dbraw/zinc/19/30/84/200193084.db2.gz IMRWHOVTYWHNJA-XHDPSFHLSA-N 1 0 304.825 3.468 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCO[C@@H](C)C2)o1 ZINC000237651197 202319332 /nfs/dbraw/zinc/31/93/32/202319332.db2.gz WHMGEFFXNYGODU-GOEBONIOSA-N 1 0 320.458 3.201 10 0 DGAERO Cc1ccc(-c2csc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)n2)cc1C ZINC000237743392 202344406 /nfs/dbraw/zinc/34/44/06/202344406.db2.gz LAZMXZFTDOAHLO-KBPBESRZSA-N 1 0 315.442 3.493 10 0 DGAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2ccccc2)o1 ZINC000180422055 432086660 /nfs/dbraw/zinc/08/66/60/432086660.db2.gz CHUMQHACIQJYMJ-UONOGXRCSA-N 1 0 314.385 3.158 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000237886956 202378646 /nfs/dbraw/zinc/37/86/46/202378646.db2.gz BKYAWHCBQPSEIY-VXGBXAGGSA-N 1 0 307.463 3.258 10 0 DGAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188726998 200295127 /nfs/dbraw/zinc/29/51/27/200295127.db2.gz INHBEYRSLVWZFY-MOPGFXCFSA-N 1 0 306.409 3.018 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188726977 200295482 /nfs/dbraw/zinc/29/54/82/200295482.db2.gz INHBEYRSLVWZFY-OALUTQOASA-N 1 0 306.409 3.018 10 0 DGAERO CCC[C@@H](C(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1)[NH+](C)C ZINC000134845353 432087011 /nfs/dbraw/zinc/08/70/11/432087011.db2.gz VSAYUKVPIFWINM-YJBOKZPZSA-N 1 0 320.477 3.063 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1c2ccccc2Oc2ccccc21 ZINC000261668248 283514476 /nfs/dbraw/zinc/51/44/76/283514476.db2.gz FTBBGSLVJULFGB-ZIAGYGMSSA-N 1 0 322.408 3.373 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CCCC1 ZINC000189036441 200339656 /nfs/dbraw/zinc/33/96/56/200339656.db2.gz ZHSYJYTXISGMEE-GUYCJALGSA-N 1 0 304.409 3.095 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1 ZINC000189038943 200340299 /nfs/dbraw/zinc/34/02/99/200340299.db2.gz BUMOHWDETPKOCX-RDTXWAMCSA-N 1 0 312.388 3.277 10 0 DGAERO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)C1CCCC1 ZINC000189198838 200362815 /nfs/dbraw/zinc/36/28/15/200362815.db2.gz JDGJDMFZFVPLKA-HNNXBMFYSA-N 1 0 300.446 3.130 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189275508 200373773 /nfs/dbraw/zinc/37/37/73/200373773.db2.gz MDCAVUKPHIYICH-LJQANCHMSA-N 1 0 322.408 3.375 10 0 DGAERO COCc1ccsc1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000180507931 432088260 /nfs/dbraw/zinc/08/82/60/432088260.db2.gz MUFSGHDNQMMCND-AWEZNQCLSA-N 1 0 324.490 3.136 10 0 DGAERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1C ZINC000189321550 200381102 /nfs/dbraw/zinc/38/11/02/200381102.db2.gz NLBXLFLFPSVXHC-WFASDCNBSA-N 1 0 310.825 3.025 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)CSC(C)(C)C)CC2 ZINC000180503320 432088322 /nfs/dbraw/zinc/08/83/22/432088322.db2.gz HFMTVSNUYSIPHR-QWHCGFSZSA-N 1 0 310.511 3.226 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cc2ccccc2s1 ZINC000170957162 432088895 /nfs/dbraw/zinc/08/88/95/432088895.db2.gz UMAGHFPMGKSTAG-JSGCOSHPSA-N 1 0 317.458 3.308 10 0 DGAERO CCCCN(C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000043575034 283554212 /nfs/dbraw/zinc/55/42/12/283554212.db2.gz FLSHTZKDUOVUBY-UHFFFAOYSA-N 1 0 318.465 3.092 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc3ccccc3o1)CC2 ZINC000180623276 432092521 /nfs/dbraw/zinc/09/25/21/432092521.db2.gz MHUCGYHSMHSLRO-OCCSQVGLSA-N 1 0 310.401 3.252 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(C)(C)c1ccccc1)CC2 ZINC000180613403 432092998 /nfs/dbraw/zinc/09/29/98/432092998.db2.gz IWHVBITVEKDTGB-ZBFHGGJFSA-N 1 0 312.461 3.111 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000180618652 432093767 /nfs/dbraw/zinc/09/37/67/432093767.db2.gz DDDAGKIZSAKSGQ-RDTXWAMCSA-N 1 0 324.472 3.385 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000246088193 432093808 /nfs/dbraw/zinc/09/38/08/432093808.db2.gz UUULQPBHYAJWPM-HOCLYGCPSA-N 1 0 319.449 3.198 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[C@H](C)c3ccccc31)CC2 ZINC000180625065 432093582 /nfs/dbraw/zinc/09/35/82/432093582.db2.gz PNZLALHQCVMZGL-JJRVBVJISA-N 1 0 310.445 3.384 10 0 DGAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191885121 200773265 /nfs/dbraw/zinc/77/32/65/200773265.db2.gz VOBYHHWPTPOIOE-KZNAEPCWSA-N 1 0 305.462 3.163 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246106625 432094508 /nfs/dbraw/zinc/09/45/08/432094508.db2.gz XAUGANAGLPKREL-NHYWBVRUSA-N 1 0 311.376 3.159 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cncc(-c2ccccc2)c1 ZINC000246105041 432094399 /nfs/dbraw/zinc/09/43/99/432094399.db2.gz OAEVCGNMKIIDKU-KXBFYZLASA-N 1 0 321.424 3.057 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000292704389 223209556 /nfs/dbraw/zinc/20/95/56/223209556.db2.gz CRMCPDFSKCOTCB-UHFFFAOYSA-N 1 0 322.456 3.385 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000180651588 432095783 /nfs/dbraw/zinc/09/57/83/432095783.db2.gz VVLVXHXGBAPTBY-UKRRQHHQSA-N 1 0 314.433 3.076 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)NC(=O)CC[C@H](C)[NH3+])cc1 ZINC000193228938 201009823 /nfs/dbraw/zinc/00/98/23/201009823.db2.gz RVWUJNPMDFVJCP-GJZGRUSLSA-N 1 0 306.450 3.416 10 0 DGAERO Cc1ccccc1C1(CNC(=O)CC[C@@H](C)[NH3+])CCCCC1 ZINC000193233688 201010743 /nfs/dbraw/zinc/01/07/43/201010743.db2.gz QELPEONHYIXTOK-MRXNPFEDSA-N 1 0 302.462 3.441 10 0 DGAERO C[C@H]([NH3+])CCC(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000193260384 201015585 /nfs/dbraw/zinc/01/55/85/201015585.db2.gz ZYALSKLOOPFLNG-DZGCQCFKSA-N 1 0 302.443 3.276 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)CC[C@H](C)[NH3+])C2)n1 ZINC000193319134 201028570 /nfs/dbraw/zinc/02/85/70/201028570.db2.gz JHNNSSBMLOHIFI-QWHCGFSZSA-N 1 0 309.479 3.100 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccccc2Cl)o1 ZINC000193602028 201083597 /nfs/dbraw/zinc/08/35/97/201083597.db2.gz AVVGWTCCNQVOKZ-HIFRSBDPSA-N 1 0 323.820 3.470 10 0 DGAERO CC[NH+](CC)CCOc1ccc(I)cc1 ZINC000006382324 181335772 /nfs/dbraw/zinc/33/57/72/181335772.db2.gz HWDHYBUAFXKQHS-UHFFFAOYSA-N 1 0 319.186 3.012 10 0 DGAERO O=C(Nc1ccc2cc[nH]c2c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000194334100 201204894 /nfs/dbraw/zinc/20/48/94/201204894.db2.gz FOVCTGOMVPJYSC-MRXNPFEDSA-N 1 0 312.417 3.260 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000194337180 201206243 /nfs/dbraw/zinc/20/62/43/201206243.db2.gz VACHIRXSDFPEQC-OAHLLOKOSA-N 1 0 300.406 3.116 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(Cl)c(OC)c1 ZINC000194417218 201222731 /nfs/dbraw/zinc/22/27/31/201222731.db2.gz JSYLERADXBOLEK-LLVKDONJSA-N 1 0 313.829 3.200 10 0 DGAERO c1cc2cc(CC[NH2+]Cc3ccc(-n4cncn4)cc3)ccc2[nH]1 ZINC000441199708 239020214 /nfs/dbraw/zinc/02/02/14/239020214.db2.gz DKFINOKMJSHKBQ-UHFFFAOYSA-N 1 0 317.396 3.081 10 0 DGAERO CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)C[C@H](O)C(F)(F)F ZINC000189869788 432098157 /nfs/dbraw/zinc/09/81/57/432098157.db2.gz OHZUZFMTQAEBJG-ZDUSSCGKSA-N 1 0 305.340 3.057 10 0 DGAERO c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000441815079 239073243 /nfs/dbraw/zinc/07/32/43/239073243.db2.gz QAFIOPOQCZMNQF-ICSRJNTNSA-N 1 0 314.473 3.251 10 0 DGAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000195289988 201372767 /nfs/dbraw/zinc/37/27/67/201372767.db2.gz QFADPRVSQPZVFW-OAQYLSRUSA-N 1 0 323.484 3.468 10 0 DGAERO CC(C)OC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000135123505 432099634 /nfs/dbraw/zinc/09/96/34/432099634.db2.gz QFYKWNQTFZOHNE-YJBOKZPZSA-N 1 0 318.461 3.166 10 0 DGAERO CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246159266 432099979 /nfs/dbraw/zinc/09/99/79/432099979.db2.gz KPTCILBLECJYEV-JQHSSLGASA-N 1 0 317.477 3.132 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCC23CCC3)cc1C ZINC000444795195 239357260 /nfs/dbraw/zinc/35/72/60/239357260.db2.gz XUQYONMLNZGJAB-INIZCTEOSA-N 1 0 300.446 3.499 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1OC ZINC000246159095 432100734 /nfs/dbraw/zinc/10/07/34/432100734.db2.gz GBHHCOYZJYFPQO-KBMXLJTQSA-N 1 0 303.402 3.001 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)N1CCCC12CCC2)c1ccsc1 ZINC000444848608 239363519 /nfs/dbraw/zinc/36/35/19/239363519.db2.gz LGWNQXAJJIPHAP-AWEZNQCLSA-N 1 0 307.463 3.079 10 0 DGAERO COc1ccc(F)c(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000444909029 239372640 /nfs/dbraw/zinc/37/26/40/239372640.db2.gz DEQNLWBICACIKH-UHFFFAOYSA-N 1 0 323.412 3.078 10 0 DGAERO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189900806 432101406 /nfs/dbraw/zinc/10/14/06/432101406.db2.gz IDEYJIBZURGBOJ-UZLBHIALSA-N 1 0 321.424 3.431 10 0 DGAERO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000247107466 202644171 /nfs/dbraw/zinc/64/41/71/202644171.db2.gz LAOVVPRAACODRM-UVBJJODRSA-N 1 0 306.837 3.029 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000073440702 283773765 /nfs/dbraw/zinc/77/37/65/283773765.db2.gz ONVSTTRGONUWNB-VYDXJSESSA-N 1 0 303.450 3.119 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCO[C@H](c3cncn3C)C2)o1 ZINC000275515157 212387089 /nfs/dbraw/zinc/38/70/89/212387089.db2.gz KQSDZTDHUFFIIR-ONUSSAAZSA-N 1 0 315.417 3.146 10 0 DGAERO c1cn(Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)cn1 ZINC000449072663 240003716 /nfs/dbraw/zinc/00/37/16/240003716.db2.gz GCAOUWHBEJLHSM-SFHVURJKSA-N 1 0 311.429 3.123 10 0 DGAERO CN(Cc1cccc(Cl)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268565025 432104340 /nfs/dbraw/zinc/10/43/40/432104340.db2.gz PARARJHULMAQTO-KRWDZBQOSA-N 1 0 315.848 3.441 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNCc2cnc(-c3ccccc3F)s2)C1 ZINC000449093425 240014429 /nfs/dbraw/zinc/01/44/29/240014429.db2.gz WWSMIUVZNYCARI-ZDUSSCGKSA-N 1 0 319.449 3.381 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000449095736 240014461 /nfs/dbraw/zinc/01/44/61/240014461.db2.gz AQVVUBTXJGIKGN-QGZVFWFLSA-N 1 0 319.401 3.006 10 0 DGAERO COc1cc(F)cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1 ZINC000449184021 240056474 /nfs/dbraw/zinc/05/64/74/240056474.db2.gz FEHTWDYPJOBCNM-OAHLLOKOSA-N 1 0 317.360 3.154 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)[nH]n1 ZINC000449195925 240062327 /nfs/dbraw/zinc/06/23/27/240062327.db2.gz WZKZPGXPDRIMPP-OQPBUACISA-N 1 0 309.335 3.344 10 0 DGAERO FC(F)Oc1cc(C[NH2+]Cc2ccnn2C2CCCC2)ccn1 ZINC000449313563 240125373 /nfs/dbraw/zinc/12/53/73/240125373.db2.gz WPAJUTKDYODSRM-UHFFFAOYSA-N 1 0 322.359 3.284 10 0 DGAERO CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000449383935 240169154 /nfs/dbraw/zinc/16/91/54/240169154.db2.gz LACWJXUZJSMONS-HNNXBMFYSA-N 1 0 316.449 3.270 10 0 DGAERO Cc1nc(C[NH2+][C@H](C)[C@@H]2CCCOC2)sc1Br ZINC000449401912 240176256 /nfs/dbraw/zinc/17/62/56/240176256.db2.gz OSQNERBDVHCFPS-PSASIEDQSA-N 1 0 319.268 3.119 10 0 DGAERO Cc1nc(C[NH2+][C@H](C)[C@H]2CCCOC2)sc1Br ZINC000449401914 240177358 /nfs/dbraw/zinc/17/73/58/240177358.db2.gz OSQNERBDVHCFPS-SCZZXKLOSA-N 1 0 319.268 3.119 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c(OC)c1 ZINC000449469306 240224535 /nfs/dbraw/zinc/22/45/35/240224535.db2.gz SQRNTNKSKXTCKJ-HEHGZKQESA-N 1 0 307.434 3.422 10 0 DGAERO OCC1(CC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000449580053 240302550 /nfs/dbraw/zinc/30/25/50/240302550.db2.gz MLPDKHKNFRRDIO-ZDUSSCGKSA-N 1 0 324.262 3.059 10 0 DGAERO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000449584037 240303386 /nfs/dbraw/zinc/30/33/86/240303386.db2.gz JCDJOSHZLLVICK-CYBMUJFWSA-N 1 0 312.442 3.264 10 0 DGAERO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccccc2CCc2ccccc2)C1 ZINC000449712319 240380066 /nfs/dbraw/zinc/38/00/66/240380066.db2.gz REXHJXMDVGDIAZ-IEBWSBKVSA-N 1 0 322.452 3.329 10 0 DGAERO Cn1cc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)cn1 ZINC000091306043 193037656 /nfs/dbraw/zinc/03/76/56/193037656.db2.gz KRVOTHWMKDNTRV-OAHLLOKOSA-N 1 0 320.234 3.424 10 0 DGAERO Brc1ccc([C@@H]([NH2+]CCn2ccnc2)C2CC2)cc1 ZINC000091264032 193027907 /nfs/dbraw/zinc/02/79/07/193027907.db2.gz IWHRDVYWRGDJQA-HNNXBMFYSA-N 1 0 320.234 3.387 10 0 DGAERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCCNC(=O)C(F)(F)F)o1 ZINC000091581478 193075433 /nfs/dbraw/zinc/07/54/33/193075433.db2.gz DLTNPSBIKUVYSQ-LBPRGKRZSA-N 1 0 318.339 3.184 10 0 DGAERO C[N@@H+](Cc1ncc(-c2cccc(Cl)c2)o1)CC1CC(O)C1 ZINC000091498735 193064873 /nfs/dbraw/zinc/06/48/73/193064873.db2.gz MHZTWGMPQRNQGG-UHFFFAOYSA-N 1 0 306.793 3.198 10 0 DGAERO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000091667358 193088518 /nfs/dbraw/zinc/08/85/18/193088518.db2.gz KIVBNVUINCXBAB-SWLSCSKDSA-N 1 0 317.260 3.365 10 0 DGAERO CCCCOc1cc(CN2CCC([NH+](C)C)CC2)ccc1OC ZINC000091670265 193089067 /nfs/dbraw/zinc/08/90/67/193089067.db2.gz KETXNVBMBXZGHJ-UHFFFAOYSA-N 1 0 320.477 3.400 10 0 DGAERO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000091833472 193114074 /nfs/dbraw/zinc/11/40/74/193114074.db2.gz UMGZWBWTNLCVNT-OAHLLOKOSA-N 1 0 323.400 3.148 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000282246640 299360137 /nfs/dbraw/zinc/36/01/37/299360137.db2.gz JGPXZSBPNPZXRY-UVPNAGLESA-N 1 0 319.207 3.450 10 0 DGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306298 283877801 /nfs/dbraw/zinc/87/78/01/283877801.db2.gz QGDAKZVZGYLFRE-UONOGXRCSA-N 1 0 322.449 3.049 10 0 DGAERO Fc1cccc2c(NC3CC[NH+](C4CCC4)CC3)ncnc12 ZINC000450883383 240909627 /nfs/dbraw/zinc/90/96/27/240909627.db2.gz WQOFMHXALAKDOM-UHFFFAOYSA-N 1 0 300.381 3.198 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000079254319 283876457 /nfs/dbraw/zinc/87/64/57/283876457.db2.gz JXSLFUDSNUNSSJ-AWEZNQCLSA-N 1 0 321.440 3.230 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCC12CCCC2)COc1ccccc1Cl ZINC000451465338 241131803 /nfs/dbraw/zinc/13/18/03/241131803.db2.gz GMKPZDKNBWCYFT-CJNGLKHVSA-N 1 0 309.837 3.392 10 0 DGAERO COc1cc(Br)ccc1C[NH2+]CC1(OC)CCC1 ZINC000180983725 432109199 /nfs/dbraw/zinc/10/91/99/432109199.db2.gz OOJWUZVDDPWIIP-UHFFFAOYSA-N 1 0 314.223 3.116 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)C(C)C)C1 ZINC000246227711 432109224 /nfs/dbraw/zinc/10/92/24/432109224.db2.gz RVUFNLMVYMGRHO-QZTJIDSGSA-N 1 0 302.462 3.102 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451967943 241288836 /nfs/dbraw/zinc/28/88/36/241288836.db2.gz RVZMVNSFCZMQAE-GOSISDBHSA-N 1 0 321.486 3.301 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000171177848 432109375 /nfs/dbraw/zinc/10/93/75/432109375.db2.gz BTHWFJTYXYOTBK-LSDHHAIUSA-N 1 0 319.449 3.390 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1F ZINC000081230837 283911829 /nfs/dbraw/zinc/91/18/29/283911829.db2.gz NXHLAUKGUBFBSH-CYBMUJFWSA-N 1 0 322.424 3.132 10 0 DGAERO COC1([C@H](C)[NH2+]CCc2ccc(Cl)c(C)c2)CCOCC1 ZINC000453243582 241686067 /nfs/dbraw/zinc/68/60/67/241686067.db2.gz CZHOJCBZCCLLGO-AWEZNQCLSA-N 1 0 311.853 3.365 10 0 DGAERO CCSCC[C@H](C)[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000135293245 432110880 /nfs/dbraw/zinc/11/08/80/432110880.db2.gz WFPLTGHNVVDXDK-LBPRGKRZSA-N 1 0 311.447 3.088 10 0 DGAERO Cn1ccc([C@@H]([NH2+]CCC[C@H]2CCOC2)c2ccc(F)cc2)n1 ZINC000453357933 241740700 /nfs/dbraw/zinc/74/07/00/241740700.db2.gz JKAUKJBIFQNDIO-KSSFIOAISA-N 1 0 317.408 3.055 10 0 DGAERO Cc1ccc(-c2ncc(C[NH2+]CC3(CCO)CC3)s2)cc1 ZINC000190002857 432111496 /nfs/dbraw/zinc/11/14/96/432111496.db2.gz WYNXGJMQOFBSRE-UHFFFAOYSA-N 1 0 302.443 3.371 10 0 DGAERO O=C(N[C@H]1CCC12CCCC2)NC1CC[NH+](C2CCC2)CC1 ZINC000454853708 242048299 /nfs/dbraw/zinc/04/82/99/242048299.db2.gz GBFZZXHPHPNOEF-INIZCTEOSA-N 1 0 305.466 3.025 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455569604 242238701 /nfs/dbraw/zinc/23/87/01/242238701.db2.gz WESZWKCGXUQWOE-HNNXBMFYSA-N 1 0 305.466 3.001 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455569605 242238762 /nfs/dbraw/zinc/23/87/62/242238762.db2.gz WESZWKCGXUQWOE-OAHLLOKOSA-N 1 0 305.466 3.001 10 0 DGAERO Cc1ccc2cc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1 ZINC000246263771 432112968 /nfs/dbraw/zinc/11/29/68/432112968.db2.gz GOJKAZJBNWQTMD-YOEHRIQHSA-N 1 0 311.429 3.098 10 0 DGAERO CCC[NH+](CCC)CCCNC(=O)c1scnc1C1CC1 ZINC000089815467 283964622 /nfs/dbraw/zinc/96/46/22/283964622.db2.gz NSZHGFHPNLMGSN-UHFFFAOYSA-N 1 0 309.479 3.262 10 0 DGAERO Cc1ccc2cc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1 ZINC000246263764 432113064 /nfs/dbraw/zinc/11/30/64/432113064.db2.gz GOJKAZJBNWQTMD-WMLDXEAASA-N 1 0 311.429 3.098 10 0 DGAERO C[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1ccc(Cl)s1 ZINC000135359934 432114318 /nfs/dbraw/zinc/11/43/18/432114318.db2.gz VZDOGIPVKXUOKA-JTQLQIEISA-N 1 0 315.870 3.198 10 0 DGAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000092100196 193157933 /nfs/dbraw/zinc/15/79/33/193157933.db2.gz SCHPFGGHARBZTR-OAHLLOKOSA-N 1 0 318.417 3.265 10 0 DGAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000092099781 193158108 /nfs/dbraw/zinc/15/81/08/193158108.db2.gz GVZKWQKLWJUMNO-INIZCTEOSA-N 1 0 300.427 3.126 10 0 DGAERO c1cnn(-c2cccc(CN3CCCC[C@H]([NH+]4CCCC4)C3)c2)c1 ZINC000092785527 284008606 /nfs/dbraw/zinc/00/86/06/284008606.db2.gz AZRYFQMNXXVDGN-FQEVSTJZSA-N 1 0 324.472 3.323 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000093639176 284013798 /nfs/dbraw/zinc/01/37/98/284013798.db2.gz BQNNHOOFBGJIBH-CRAIPNDOSA-N 1 0 300.446 3.125 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000093685212 284013844 /nfs/dbraw/zinc/01/38/44/284013844.db2.gz RHEOVKJKBUBFBM-LBPRGKRZSA-N 1 0 306.372 3.052 10 0 DGAERO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000093684674 284013963 /nfs/dbraw/zinc/01/39/63/284013963.db2.gz JLGDOMIUQZEGHE-KRWDZBQOSA-N 1 0 315.461 3.499 10 0 DGAERO C[NH+]1CCC(CCNC(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC000101695428 284019437 /nfs/dbraw/zinc/01/94/37/284019437.db2.gz LEIUKZALIVKGOX-FQEVSTJZSA-N 1 0 314.473 3.129 10 0 DGAERO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCCC1(C)C ZINC000102930771 284024616 /nfs/dbraw/zinc/02/46/16/284024616.db2.gz BESDXKJGEOYBBS-UHFFFAOYSA-N 1 0 310.825 3.470 10 0 DGAERO O=C(N[C@@H]1CCCC(F)(F)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439996815 284022292 /nfs/dbraw/zinc/02/22/92/284022292.db2.gz UFSXWBJBLORQQD-OCCSQVGLSA-N 1 0 300.393 3.088 10 0 DGAERO CC/C=C/CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000458961076 243214623 /nfs/dbraw/zinc/21/46/23/243214623.db2.gz CQDMQQWQLZAGRB-ZVVFDCPKSA-N 1 0 307.482 3.250 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2C[C@H]2C(C)C)CC1 ZINC000459057150 243238201 /nfs/dbraw/zinc/23/82/01/243238201.db2.gz HALWBJFVYXIHIP-IRXDYDNUSA-N 1 0 309.498 3.042 10 0 DGAERO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1CCCCCC1 ZINC000459022793 243229829 /nfs/dbraw/zinc/22/98/29/243229829.db2.gz MEWSEEFBZOPKQA-OAHLLOKOSA-N 1 0 309.498 3.329 10 0 DGAERO CCc1ccc(O)c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107779121 284057226 /nfs/dbraw/zinc/05/72/26/284057226.db2.gz YYXXDYYTLQIDGM-INIZCTEOSA-N 1 0 316.445 3.045 10 0 DGAERO c1n[nH]cc1CC[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000459394184 243357582 /nfs/dbraw/zinc/35/75/82/243357582.db2.gz ZJWDYWHXQJYADT-FQEVSTJZSA-N 1 0 321.424 3.500 10 0 DGAERO CCn1nncc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000459298243 243322739 /nfs/dbraw/zinc/32/27/39/243322739.db2.gz IUCQSBXZTIHLKF-CQSZACIVSA-N 1 0 304.825 3.159 10 0 DGAERO c1cc([C@H]2CCCN2Cc2cnc(C3CC3)nc2)cc2c1OCO2 ZINC000459322605 243334202 /nfs/dbraw/zinc/33/42/02/243334202.db2.gz CQFKQYMBSHEWJK-MRXNPFEDSA-N 1 0 323.396 3.420 10 0 DGAERO Cn1cccc1[C@@H]1CCCCN1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459361603 243349256 /nfs/dbraw/zinc/34/92/56/243349256.db2.gz PKUWTFQZVWDEQR-INIZCTEOSA-N 1 0 312.417 3.125 10 0 DGAERO CCn1nncc1C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000459449583 243374117 /nfs/dbraw/zinc/37/41/17/243374117.db2.gz SRRMZGVVMVSOSI-UHFFFAOYSA-N 1 0 304.825 3.331 10 0 DGAERO CCCCOc1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1OC ZINC000092970430 193190178 /nfs/dbraw/zinc/19/01/78/193190178.db2.gz NYVNMEFSATUMKU-HNNXBMFYSA-N 1 0 321.461 3.467 10 0 DGAERO CCC(C)(C)NC(=O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000113940854 284105410 /nfs/dbraw/zinc/10/54/10/284105410.db2.gz RXMBUMSPELNGQY-UHFFFAOYSA-N 1 0 306.425 3.137 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@H]2c2ccccc2)CC1 ZINC000466094803 243893139 /nfs/dbraw/zinc/89/31/39/243893139.db2.gz NBDIDMIIFVKAPU-SFHVURJKSA-N 1 0 315.461 3.265 10 0 DGAERO C[C@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3)c2)CC[NH2+]1 ZINC000261549612 203075843 /nfs/dbraw/zinc/07/58/43/203075843.db2.gz KRULUXQZAHAUJA-MAUKXSAKSA-N 1 0 324.424 3.136 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261746053 203108525 /nfs/dbraw/zinc/10/85/25/203108525.db2.gz NBLOAGOUDKJHOI-LWYYNNOASA-N 1 0 320.436 3.052 10 0 DGAERO CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000117037481 284122829 /nfs/dbraw/zinc/12/28/29/284122829.db2.gz UJKKRXDFCQEQDO-FUHWJXTLSA-N 1 0 317.477 3.481 10 0 DGAERO O=C1CC[N@H+](Cc2ccc(-c3ccccc3Cl)s2)CCN1 ZINC000093101451 193202813 /nfs/dbraw/zinc/20/28/13/193202813.db2.gz ONRQVVNTVDFJHI-UHFFFAOYSA-N 1 0 320.845 3.390 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000470950833 244196363 /nfs/dbraw/zinc/19/63/63/244196363.db2.gz SLFCQALJBVNLPI-GXFFZTMASA-N 1 0 303.324 3.477 10 0 DGAERO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)C1CC1 ZINC000181276560 432119747 /nfs/dbraw/zinc/11/97/47/432119747.db2.gz JFDXLJTWOAGQCI-SECBINFHSA-N 1 0 321.222 3.122 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000471819984 244252220 /nfs/dbraw/zinc/25/22/20/244252220.db2.gz LAADLRMHOHDDCF-HZPDHXFCSA-N 1 0 305.418 3.299 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000471821721 244255453 /nfs/dbraw/zinc/25/54/53/244255453.db2.gz SPRHJJPDQKVWDV-DOTOQJQBSA-N 1 0 319.836 3.491 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000262122660 203205046 /nfs/dbraw/zinc/20/50/46/203205046.db2.gz KMFRMGTZUPVIBN-MRXNPFEDSA-N 1 0 320.824 3.290 10 0 DGAERO CC(C)(C)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119021759 284132335 /nfs/dbraw/zinc/13/23/35/284132335.db2.gz YUTUDWROYBJRHC-SJORKVTESA-N 1 0 302.462 3.292 10 0 DGAERO FC(F)COCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000471771652 244243453 /nfs/dbraw/zinc/24/34/53/244243453.db2.gz OBKSOFCVJMVFOD-LLVKDONJSA-N 1 0 324.293 3.349 10 0 DGAERO C[C@H]1CCCC[C@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119051273 284133133 /nfs/dbraw/zinc/13/31/33/284133133.db2.gz WZFXAKQFBPUPSI-ZGRYLRDCSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119082142 284133804 /nfs/dbraw/zinc/13/38/04/284133804.db2.gz VBDYIWFDSLMQJN-MYYBJNFMSA-N 1 0 321.509 3.469 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1(N(C)C)CCOCC1 ZINC000119220574 284138097 /nfs/dbraw/zinc/13/80/97/284138097.db2.gz DHGXFVOMCLFYQE-NTCAYCPXSA-N 1 0 322.880 3.444 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(CC(F)(F)F)cc1)[NH+](C)C ZINC000119228599 284138372 /nfs/dbraw/zinc/13/83/72/284138372.db2.gz OAUMVNORTFYISD-ZDUSSCGKSA-N 1 0 302.340 3.460 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(OC)c1 ZINC000246325784 432120030 /nfs/dbraw/zinc/12/00/30/432120030.db2.gz TWOVLTUTWONUPG-OIISXLGYSA-N 1 0 303.402 3.001 10 0 DGAERO CC(C)(C)OC[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000119337061 284140991 /nfs/dbraw/zinc/14/09/91/284140991.db2.gz ISTBCRMMRZLMFL-MRXNPFEDSA-N 1 0 309.425 3.361 10 0 DGAERO CCC(CC)[C@H](CNC(=O)c1cc(N)ccc1C)[NH+]1CCCC1 ZINC000262401442 203284432 /nfs/dbraw/zinc/28/44/32/203284432.db2.gz REJLZOOQARGDLK-SFHVURJKSA-N 1 0 317.477 3.208 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@H]1CCN(c2ccccc2OC)C1 ZINC000119683453 284148663 /nfs/dbraw/zinc/14/86/63/284148663.db2.gz HCCKYJBNENYDRP-JKSUJKDBSA-N 1 0 306.450 3.069 10 0 DGAERO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000475280723 244458919 /nfs/dbraw/zinc/45/89/19/244458919.db2.gz AAYBRKDXBJREKI-FUHWJXTLSA-N 1 0 302.462 3.308 10 0 DGAERO Cc1sc2nc(C[N@H+]3CC[C@H](C)[C@H](C)C3)nc(N)c2c1C ZINC000093256723 193220782 /nfs/dbraw/zinc/22/07/82/193220782.db2.gz JUNQPCCNABXIKV-VHSXEESVSA-N 1 0 304.463 3.368 10 0 DGAERO CCCO[C@H]1CCC[N@H+](Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000093317209 193229958 /nfs/dbraw/zinc/22/99/58/193229958.db2.gz FHZVCHIIMZPDSG-KRWDZBQOSA-N 1 0 316.449 3.127 10 0 DGAERO C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)C1CC1 ZINC000181276542 432120663 /nfs/dbraw/zinc/12/06/63/432120663.db2.gz JFDXLJTWOAGQCI-VIFPVBQESA-N 1 0 321.222 3.122 10 0 DGAERO Cn1nccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387260 193241515 /nfs/dbraw/zinc/24/15/15/193241515.db2.gz VFFPPPKESSYKKK-MRXNPFEDSA-N 1 0 321.428 3.190 10 0 DGAERO CCCOc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000093644669 193281645 /nfs/dbraw/zinc/28/16/45/193281645.db2.gz AJMSENPUIJIXPO-NVXWUHKLSA-N 1 0 320.477 3.399 10 0 DGAERO CCC[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000120824650 284179104 /nfs/dbraw/zinc/17/91/04/284179104.db2.gz JRSHVHMQLYKMEU-KGLIPLIRSA-N 1 0 320.399 3.299 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H](C)c2cc(C)sc2C)nc1 ZINC000094760377 193395370 /nfs/dbraw/zinc/39/53/70/193395370.db2.gz WHQHNWOUJUPPRD-LLVKDONJSA-N 1 0 304.415 3.397 10 0 DGAERO NNc1cc(Nc2ccc(F)c(C(F)(F)F)c2)nc(Cl)[nH+]1 ZINC000095092883 193423318 /nfs/dbraw/zinc/42/33/18/193423318.db2.gz OZXDPJCHZKYXGZ-UHFFFAOYSA-N 1 0 321.665 3.317 10 0 DGAERO CCc1noc([C@@H](C)N2CC[NH+](CC3CCCCCC3)CC2)n1 ZINC000121354339 284194854 /nfs/dbraw/zinc/19/48/54/284194854.db2.gz DPCKYOBDEXIBQM-OAHLLOKOSA-N 1 0 320.481 3.281 10 0 DGAERO CCOc1ccc(NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000121652701 284202972 /nfs/dbraw/zinc/20/29/72/284202972.db2.gz HXPJGVOKLKWKQM-HNNXBMFYSA-N 1 0 307.438 3.183 10 0 DGAERO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2c(Br)cnn2C)C1 ZINC000487280823 245042885 /nfs/dbraw/zinc/04/28/85/245042885.db2.gz QXLLUODOADYGSV-RYUDHWBXSA-N 1 0 314.271 3.487 10 0 DGAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000487281933 245044100 /nfs/dbraw/zinc/04/41/00/245044100.db2.gz UADYMIWNQFMINT-CMPLNLGQSA-N 1 0 314.271 3.487 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000487559076 245076101 /nfs/dbraw/zinc/07/61/01/245076101.db2.gz LYDLYNWIHYMOKU-UHFFFAOYSA-N 1 0 303.431 3.145 10 0 DGAERO Fc1cccc(Cc2noc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)n2)c1 ZINC000488171571 245156777 /nfs/dbraw/zinc/15/67/77/245156777.db2.gz OYSMYQLUKJCOOY-GJZGRUSLSA-N 1 0 315.392 3.422 10 0 DGAERO COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](CO)[C@@H]3C)cs2)c1 ZINC000488734256 245225994 /nfs/dbraw/zinc/22/59/94/245225994.db2.gz QPQVLRUZOWBKQE-JSGCOSHPSA-N 1 0 318.442 3.021 10 0 DGAERO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H](CO)[C@H]3C)n2)cc1 ZINC000488791239 245234052 /nfs/dbraw/zinc/23/40/52/245234052.db2.gz YBORUIZNPOODHE-CZUORRHYSA-N 1 0 315.417 3.063 10 0 DGAERO COc1cc(C)cc(NC(=O)NCC[NH+]2CCCCCC2)c1C ZINC000489731723 245339826 /nfs/dbraw/zinc/33/98/26/245339826.db2.gz VHYZMKHCGBJFRY-UHFFFAOYSA-N 1 0 319.449 3.310 10 0 DGAERO COc1cc(C)cc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1C ZINC000489700231 245337822 /nfs/dbraw/zinc/33/78/22/245337822.db2.gz IFPPPQIEPCXVQV-UHFFFAOYSA-N 1 0 317.433 3.086 10 0 DGAERO CC(C)c1ccc([C@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1 ZINC000008038043 181521607 /nfs/dbraw/zinc/52/16/07/181521607.db2.gz DYLMZBSIKIIWHV-KRWDZBQOSA-N 1 0 303.427 3.284 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2cc(C)oc2C)[C@H](C)C1 ZINC000246389737 432124396 /nfs/dbraw/zinc/12/43/96/432124396.db2.gz IYPDHMVJJFYZEN-MRRJBJDNSA-N 1 0 321.465 3.329 10 0 DGAERO CCc1oc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1C ZINC000124765311 284264382 /nfs/dbraw/zinc/26/43/82/284264382.db2.gz AAUJEHAVEDMEHH-UHFFFAOYSA-N 1 0 320.458 3.416 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000010018662 181653644 /nfs/dbraw/zinc/65/36/44/181653644.db2.gz XWBJSVSKCPCYMJ-INIZCTEOSA-N 1 0 307.413 3.060 10 0 DGAERO CCC[C@@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125232468 284271659 /nfs/dbraw/zinc/27/16/59/284271659.db2.gz AVXOIEJJFXMOAZ-KLAILNCOSA-N 1 0 309.498 3.329 10 0 DGAERO CC[N@H+](C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000126255093 284299058 /nfs/dbraw/zinc/29/90/58/284299058.db2.gz GDBAENWSTJFPIY-UHFFFAOYSA-N 1 0 308.223 3.395 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2nccs2)cc1F ZINC000126689312 284313829 /nfs/dbraw/zinc/31/38/29/284313829.db2.gz LIJULVMDSFYVSI-MNOVXSKESA-N 1 0 307.394 3.268 10 0 DGAERO C[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000246372535 432125906 /nfs/dbraw/zinc/12/59/06/432125906.db2.gz IDACAPHLFVSIKU-KXBFYZLASA-N 1 0 308.425 3.250 10 0 DGAERO Oc1ccc(C[C@H](O)C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000013824031 181903179 /nfs/dbraw/zinc/90/31/79/181903179.db2.gz NJHGLBCRCUUJMU-FQEVSTJZSA-N 1 0 311.425 3.175 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)CC1CC(O)C1 ZINC000190150329 432126827 /nfs/dbraw/zinc/12/68/27/432126827.db2.gz GBTOZITUSSWNSC-FHERZECASA-N 1 0 318.461 3.148 10 0 DGAERO COc1ccc([C@@H](C)NCc2cccc(C)n2)cc1NC(C)=O ZINC000127294364 284333678 /nfs/dbraw/zinc/33/36/78/284333678.db2.gz BZLMGRHTSUWKDU-CYBMUJFWSA-N 1 0 313.401 3.208 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731143 217208521 /nfs/dbraw/zinc/20/85/21/217208521.db2.gz MGFQXEZVBOCIRX-NVXWUHKLSA-N 1 0 301.434 3.092 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1CC ZINC000127316674 284335152 /nfs/dbraw/zinc/33/51/52/284335152.db2.gz AWHWXANOINZJGW-AWEZNQCLSA-N 1 0 303.450 3.227 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C2CCCCC2)[C@H](C)C1 ZINC000246395776 432127498 /nfs/dbraw/zinc/12/74/98/432127498.db2.gz JOLVKPBTOBECHH-INMHGKMJSA-N 1 0 309.498 3.327 10 0 DGAERO CCOCCC1(CNc2cc(N3CCC[C@@H](C)C3)ncn2)CC1 ZINC000127774834 284351168 /nfs/dbraw/zinc/35/11/68/284351168.db2.gz OLHICFXTORAEGM-OAHLLOKOSA-N 1 0 318.465 3.332 10 0 DGAERO CC[C@@]1(C)CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1 ZINC000135607314 432128583 /nfs/dbraw/zinc/12/85/83/432128583.db2.gz UPFOSJNAFDJDDT-KRWDZBQOSA-N 1 0 303.381 3.012 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc2c(c1)CCO2 ZINC000246425841 432128801 /nfs/dbraw/zinc/12/88/01/432128801.db2.gz NNKBRWDYZUAGPN-XCRHUMRWSA-N 1 0 319.470 3.327 10 0 DGAERO CC(C)CCOC(=O)[C@H](NCC[NH+]1CCCC1)c1ccccc1 ZINC000019368425 182119658 /nfs/dbraw/zinc/11/96/58/182119658.db2.gz HKVGEMSALZULPM-GOSISDBHSA-N 1 0 318.461 3.002 10 0 in-man DGAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccccc2Br)C1 ZINC000019426349 182122548 /nfs/dbraw/zinc/12/25/48/182122548.db2.gz LBCKPSBQMZEUOA-HUBLWGQQSA-N 1 0 311.267 3.427 10 0 DGAERO NC(=[NH2+])c1ccccc1OCc1ccccc1Br ZINC000019437679 182123044 /nfs/dbraw/zinc/12/30/44/182123044.db2.gz ICNPHDBBEGAKLA-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO NC(=[NH2+])c1ccc(OCc2ccccc2Br)cc1 ZINC000019483765 182125411 /nfs/dbraw/zinc/12/54/11/182125411.db2.gz YOUGTYKXLQTNEA-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO Cc1ccc(NC(=O)C2([NH3+])CCCCC2)c(Br)c1 ZINC000019472948 182124423 /nfs/dbraw/zinc/12/44/23/182124423.db2.gz UBAJOMKKHBODOP-UHFFFAOYSA-N 1 0 311.223 3.358 10 0 DGAERO NC(=[NH2+])c1cccc(OCc2ccccc2Br)c1 ZINC000019483481 182124949 /nfs/dbraw/zinc/12/49/49/182124949.db2.gz JPVQUHAMMBJIKP-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO NC(=[NH2+])c1ccc(OCc2ccc(Br)s2)cc1 ZINC000019483443 182125198 /nfs/dbraw/zinc/12/51/98/182125198.db2.gz FTVVSSUFMNTSFZ-UHFFFAOYSA-N 1 0 311.204 3.374 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(CC(C)C)CC2)[C@@H](C)C1 ZINC000246437094 432131147 /nfs/dbraw/zinc/13/11/47/432131147.db2.gz NHIWPEWNTISJLY-HOTGVXAUSA-N 1 0 309.498 3.184 10 0 DGAERO [NH3+][C@H](c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000019841777 182155737 /nfs/dbraw/zinc/15/57/37/182155737.db2.gz MGDFRTQNXRKDID-OAHLLOKOSA-N 1 0 320.186 3.268 10 0 DGAERO NC(=[NH2+])c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000019802784 182151453 /nfs/dbraw/zinc/15/14/53/182151453.db2.gz OOKXBIBKGUVWGC-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO CCCN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000171416502 432131422 /nfs/dbraw/zinc/13/14/22/432131422.db2.gz SWRJMFOKNYXWHA-UHFFFAOYSA-N 1 0 315.461 3.366 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000246450098 432131583 /nfs/dbraw/zinc/13/15/83/432131583.db2.gz PETWRNKRXWBNGB-ZIBATOQPSA-N 1 0 300.368 3.483 10 0 DGAERO O=C(c1ccc(C(F)(F)F)cc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186551532 296205263 /nfs/dbraw/zinc/20/52/63/296205263.db2.gz YBMFHSJBPUIMDP-CYBMUJFWSA-N 1 0 312.335 3.062 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000019985244 182173780 /nfs/dbraw/zinc/17/37/80/182173780.db2.gz QCPKGDQNEULHJH-NSHDSACASA-N 1 0 304.312 3.230 10 0 DGAERO O=C(Nc1nc2ccccc2s1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000020021763 182179850 /nfs/dbraw/zinc/17/98/50/182179850.db2.gz PGTAJMVGCUNNON-NTZNESFSSA-N 1 0 301.415 3.156 10 0 DGAERO CC(C)[C@H](CNCc1ccc(F)c(Br)c1)[NH+](C)C ZINC000020145814 182192535 /nfs/dbraw/zinc/19/25/35/182192535.db2.gz YCWKMWNMIUHMJB-AWEZNQCLSA-N 1 0 317.246 3.264 10 0 DGAERO COc1ccccc1CN(C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225966 182198721 /nfs/dbraw/zinc/19/87/21/182198721.db2.gz ZAVBMJAKTUJQBV-INIZCTEOSA-N 1 0 304.821 3.480 10 0 DGAERO COc1ccc(CN(C)[C@H](C[NH3+])c2ccc(Cl)cc2)cc1 ZINC000020226021 182198755 /nfs/dbraw/zinc/19/87/55/182198755.db2.gz KVYBOIZATWXGJU-QGZVFWFLSA-N 1 0 304.821 3.480 10 0 DGAERO CC1(C)C[N@H+](CCC(=O)NC2CCCC2)CC[C@@H]1C(F)(F)F ZINC000190203770 432132293 /nfs/dbraw/zinc/13/22/93/432132293.db2.gz BGZWKCSCWIXFDW-ZDUSSCGKSA-N 1 0 320.399 3.346 10 0 DGAERO Cc1cc(C[NH2+]C[C@H](c2cccs2)N(C)C)cc(C)c1O ZINC000020305494 182205155 /nfs/dbraw/zinc/20/51/55/182205155.db2.gz XILSLACBKJRRRV-OAHLLOKOSA-N 1 0 304.459 3.463 10 0 DGAERO c1ccc2c(c1)OC1(CC[N@@H+](CCCCC3CCOCC3)C1)O2 ZINC000288571971 220249362 /nfs/dbraw/zinc/24/93/62/220249362.db2.gz BKGMLQMFRDNFOQ-UHFFFAOYSA-N 1 0 317.429 3.457 10 0 DGAERO CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2cccnc2N(C)C)C1 ZINC000171421957 432132803 /nfs/dbraw/zinc/13/28/03/432132803.db2.gz BRQDEVDYYJZINP-ZBFHGGJFSA-N 1 0 318.465 3.162 10 0 DGAERO Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246453982 432133058 /nfs/dbraw/zinc/13/30/58/432133058.db2.gz USAUOGZSQKXSGO-BQFCYCMXSA-N 1 0 317.477 3.050 10 0 DGAERO CCCOc1c(Cl)cc(CNCCC[NH2+]C)cc1OCC ZINC000020968115 182256500 /nfs/dbraw/zinc/25/65/00/182256500.db2.gz IXLWGDGAUMIOGA-UHFFFAOYSA-N 1 0 314.857 3.227 10 0 DGAERO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](CC(C)C)C3)cc1 ZINC000021639468 182281927 /nfs/dbraw/zinc/28/19/27/182281927.db2.gz UAFRNSBAGGWFMI-UHFFFAOYSA-N 1 0 312.417 3.243 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)CCCc2ccccc2)C1 ZINC000494101651 246112682 /nfs/dbraw/zinc/11/26/82/246112682.db2.gz ZXWBIQOXURGMJJ-SFHVURJKSA-N 1 0 316.489 3.494 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000246462907 432134462 /nfs/dbraw/zinc/13/44/62/432134462.db2.gz PXTZHMFLHBVSMY-IPELMVKDSA-N 1 0 322.468 3.092 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)[C@H](C)C1 ZINC000246470251 432134385 /nfs/dbraw/zinc/13/43/85/432134385.db2.gz PXCUMIGTDZKSLT-ALYAQQCSSA-N 1 0 309.498 3.183 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246462913 432134413 /nfs/dbraw/zinc/13/44/13/432134413.db2.gz PXTZHMFLHBVSMY-KFKAGJAMSA-N 1 0 322.468 3.092 10 0 DGAERO [NH3+]C[C@@H](c1cc(Br)ccc1F)N1CCCCCC1 ZINC000022221452 182313718 /nfs/dbraw/zinc/31/37/18/182313718.db2.gz DMXZTHXJPWUTTB-AWEZNQCLSA-N 1 0 315.230 3.464 10 0 DGAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(Br)o2)C1 ZINC000022221726 182313821 /nfs/dbraw/zinc/31/38/21/182313821.db2.gz RDEKJUUETMABDV-AXFHLTTASA-N 1 0 301.228 3.020 10 0 DGAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccc(Br)o2)C1 ZINC000022221724 182313833 /nfs/dbraw/zinc/31/38/33/182313833.db2.gz RDEKJUUETMABDV-MXWKQRLJSA-N 1 0 301.228 3.020 10 0 DGAERO Cc1ncsc1CC[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000181542844 432135255 /nfs/dbraw/zinc/13/52/55/432135255.db2.gz SPFMUAFOTGAWMT-UHFFFAOYSA-N 1 0 317.458 3.241 10 0 DGAERO COc1ccc(OC)c(C[N@H+](CCCOC(C)C)C2CC2)c1 ZINC000171496988 432137915 /nfs/dbraw/zinc/13/79/15/432137915.db2.gz KZHDNUATOGDREU-UHFFFAOYSA-N 1 0 307.434 3.483 10 0 DGAERO O=C(Nc1cccc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000032214872 182637934 /nfs/dbraw/zinc/63/79/34/182637934.db2.gz CZHYVXAKBASNRO-INIZCTEOSA-N 1 0 310.397 3.204 10 0 DGAERO CCC1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246508606 432138579 /nfs/dbraw/zinc/13/85/79/432138579.db2.gz WYCBBQYTUYANIA-OTBWCIGPSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@H]1CC1CCCCC1)CS(C)(=O)=O ZINC000246494374 432138760 /nfs/dbraw/zinc/13/87/60/432138760.db2.gz IQGFOGVYQIWXLV-ZBFHGGJFSA-N 1 0 301.496 3.102 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc(F)c(F)c1 ZINC000181633757 432139926 /nfs/dbraw/zinc/13/99/26/432139926.db2.gz VVVQUSGVHCSLDR-VXGBXAGGSA-N 1 0 322.399 3.405 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(OC)c2)C12CCCC2 ZINC000181613848 432140366 /nfs/dbraw/zinc/14/03/66/432140366.db2.gz FRYXFJORMWFTEA-IAGOWNOFSA-N 1 0 305.418 3.228 10 0 DGAERO COCc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000190291922 432139872 /nfs/dbraw/zinc/13/98/72/432139872.db2.gz WYCROXAAUROYJB-ROUUACIJSA-N 1 0 317.454 3.102 10 0 DGAERO C[C@H](c1cc(Cl)ccc1Cl)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246550109 432141562 /nfs/dbraw/zinc/14/15/62/432141562.db2.gz DJQABZMZDJQTAL-YPMHNXCESA-N 1 0 317.260 3.317 10 0 DGAERO Cc1cc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c(C)s1 ZINC000037002117 182860185 /nfs/dbraw/zinc/86/01/85/182860185.db2.gz OXUQCZKZLZQBBO-MZGVZZPPSA-N 1 0 306.475 3.463 10 0 DGAERO CC1(C)CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000246567982 432143540 /nfs/dbraw/zinc/14/35/40/432143540.db2.gz UWFKWJQEPGFMKV-VBQJREDUSA-N 1 0 300.446 3.433 10 0 DGAERO CCc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246555827 432143782 /nfs/dbraw/zinc/14/37/82/432143782.db2.gz XOJFLAICQNIVNT-QAPCUYQASA-N 1 0 317.477 3.121 10 0 DGAERO Cc1ccc(-n2cc(C[NH2+]CC[C@@H](C)O)c(C(C)(C)C)n2)cc1 ZINC000151996384 284594342 /nfs/dbraw/zinc/59/43/42/284594342.db2.gz CTLJDQOSIFKGTF-OAHLLOKOSA-N 1 0 315.461 3.339 10 0 DGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCSc1ccc(Cl)cc1 ZINC000171574300 432147306 /nfs/dbraw/zinc/14/73/06/432147306.db2.gz VJWRCJHVCLZBLT-VXGBXAGGSA-N 1 0 312.866 3.018 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nnc3n2CCCC3)C1(CC)CC ZINC000181834987 432147314 /nfs/dbraw/zinc/14/73/14/432147314.db2.gz YBPYTJVVVXZUBU-RRFJBIMHSA-N 1 0 320.481 3.249 10 0 DGAERO CCC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000171589651 432148145 /nfs/dbraw/zinc/14/81/45/432148145.db2.gz SVZVHAQDTBCPIQ-MSOLQXFVSA-N 1 0 315.461 3.408 10 0 DGAERO COc1cc(CC[NH3+])cc(Br)c1OCC=C(C)C ZINC000037720620 182920204 /nfs/dbraw/zinc/92/02/04/182920204.db2.gz PQCFJTNCSVDNHR-UHFFFAOYSA-N 1 0 314.223 3.304 10 0 DGAERO Cc1ccc2c(c1)[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)[C@H](C)C2 ZINC000181899624 432148514 /nfs/dbraw/zinc/14/85/14/432148514.db2.gz PDWLIENMTFRCOT-QAPCUYQASA-N 1 0 317.477 3.210 10 0 DGAERO COc1cc2c(cc1OC)[C@H](C[C@H](O)c1ccccc1)[NH2+]CC2 ZINC000038960285 183013398 /nfs/dbraw/zinc/01/33/98/183013398.db2.gz YCFTZQSGANFCHN-IRXDYDNUSA-N 1 0 313.397 3.014 10 0 DGAERO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Cl ZINC000040173981 183043338 /nfs/dbraw/zinc/04/33/38/183043338.db2.gz OPHUJBWGQKKHLY-CQSZACIVSA-N 1 0 313.788 3.330 10 0 DGAERO CC(C)(C)NNc1[nH+]cnc(NCc2ccccc2Cl)c1N ZINC000040796685 183135425 /nfs/dbraw/zinc/13/54/25/183135425.db2.gz OIRACCUMXIDIRF-UHFFFAOYSA-N 1 0 320.828 3.039 10 0 DGAERO C[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000040852213 183142110 /nfs/dbraw/zinc/14/21/10/183142110.db2.gz LVZVBVPRXGINJC-MLGOLLRUSA-N 1 0 302.805 3.087 10 0 DGAERO CN(Cc1ccc(Br)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746480 183128657 /nfs/dbraw/zinc/12/86/57/183128657.db2.gz MTJGSOOQPRBPQA-ZACCUICWSA-N 1 0 315.280 3.225 10 0 DGAERO O=C(c1ccc(Cl)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107529216 284653183 /nfs/dbraw/zinc/65/31/83/284653183.db2.gz VJVIIHCIHURENG-MRXNPFEDSA-N 1 0 306.837 3.431 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(Cl)s1 ZINC000153326566 284666750 /nfs/dbraw/zinc/66/67/50/284666750.db2.gz IRBHCOQKEIEIPV-QWHCGFSZSA-N 1 0 316.898 3.411 10 0 DGAERO CC[NH2+]Cc1ccc(Br)cc1N(CC)CCOC ZINC000042494002 183277290 /nfs/dbraw/zinc/27/72/90/183277290.db2.gz AUBXBNPHHOFAGR-UHFFFAOYSA-N 1 0 315.255 3.031 10 0 DGAERO CC(C)N(CCC(N)=[NH2+])Cc1cc(Br)ccc1F ZINC000042529645 183281250 /nfs/dbraw/zinc/28/12/50/183281250.db2.gz YMNGYWGVDPGMNC-UHFFFAOYSA-N 1 0 316.218 3.125 10 0 DGAERO CC(C)C[C@H]([NH3+])CN(C)Cc1csc(Br)c1 ZINC000042365851 183259973 /nfs/dbraw/zinc/25/99/73/183259973.db2.gz UQUKEPDGLPPFRC-NSHDSACASA-N 1 0 305.285 3.316 10 0 DGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000136244806 432150093 /nfs/dbraw/zinc/15/00/93/432150093.db2.gz AHAWLHBHORKTQG-ZANVPECISA-N 1 0 318.642 3.353 10 0 DGAERO CC(C)C[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042563440 183285512 /nfs/dbraw/zinc/28/55/12/183285512.db2.gz ROGYDAOSPCYMBE-MNOVXSKESA-N 1 0 303.244 3.408 10 0 DGAERO CCN(Cc1c(F)cccc1F)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246630628 432150289 /nfs/dbraw/zinc/15/02/89/432150289.db2.gz KHQGZVJFZLCZAY-VUCTXSBTSA-N 1 0 322.399 3.234 10 0 DGAERO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cnccn1 ZINC000269039048 432150299 /nfs/dbraw/zinc/15/02/99/432150299.db2.gz GFSQPEKILLVUBJ-SOLBZPMBSA-N 1 0 310.445 3.038 10 0 DGAERO CCOCCO[C@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042957171 183322820 /nfs/dbraw/zinc/32/28/20/183322820.db2.gz NPDIJUNUODSFEV-ZIAGYGMSSA-N 1 0 316.239 3.281 10 0 DGAERO C[C@H]([NH3+])[C@@H](OC1CCOCC1)c1ccc(Br)cc1 ZINC000042958467 183323711 /nfs/dbraw/zinc/32/37/11/183323711.db2.gz UMLQDMKBQYCSKT-IINYFYTJSA-N 1 0 314.223 3.033 10 0 DGAERO [NH3+]C[C@H](Oc1ccc(CO)cc1)c1ccc(Br)cc1 ZINC000042958407 183323772 /nfs/dbraw/zinc/32/37/72/183323772.db2.gz KYINPENPUUXRLZ-HNNXBMFYSA-N 1 0 322.202 3.020 10 0 DGAERO CCc1nccn1[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022264 183330047 /nfs/dbraw/zinc/33/00/47/183330047.db2.gz LHKKZSSQTVDHCZ-YGRLFVJLSA-N 1 0 308.223 3.145 10 0 DGAERO CCCCOCCO[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043023475 183330413 /nfs/dbraw/zinc/33/04/13/183330413.db2.gz BMMRBUDHGJTJLS-CQSZACIVSA-N 1 0 316.239 3.282 10 0 DGAERO CCc1nccn1[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093907 183336873 /nfs/dbraw/zinc/33/68/73/183336873.db2.gz KOWYTJLDCSUDNZ-QMTHXVAHSA-N 1 0 308.223 3.145 10 0 DGAERO CC(C)OCCO[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043094727 183337241 /nfs/dbraw/zinc/33/72/41/183337241.db2.gz MEVKCHIEWLJYSJ-SMDDNHRTSA-N 1 0 316.239 3.279 10 0 DGAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)n1cc(Cl)cn1 ZINC000043093810 183336396 /nfs/dbraw/zinc/33/63/96/183336396.db2.gz GTHUKFKDTRSQSB-QPUJVOFHSA-N 1 0 314.614 3.236 10 0 DGAERO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cc(Br)cs1 ZINC000043687684 183381499 /nfs/dbraw/zinc/38/14/99/183381499.db2.gz CERFMAVPNZKVQP-ZJUUUORDSA-N 1 0 303.269 3.070 10 0 DGAERO O=C(Nc1ccc(Cl)cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104974094 194060152 /nfs/dbraw/zinc/06/01/52/194060152.db2.gz XLJCDILDIBMOOF-LBPRGKRZSA-N 1 0 311.788 3.181 10 0 DGAERO CCCc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104991802 194062055 /nfs/dbraw/zinc/06/20/55/194062055.db2.gz PPSAVWFIYKJZIY-INIZCTEOSA-N 1 0 301.434 3.341 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000105087040 194072414 /nfs/dbraw/zinc/07/24/14/194072414.db2.gz JUAJGDIDWFYKOI-GJZGRUSLSA-N 1 0 307.438 3.069 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(F)c(F)c1 ZINC000105802363 194132178 /nfs/dbraw/zinc/13/21/78/194132178.db2.gz NTDVCWHWOBYTFE-JSGCOSHPSA-N 1 0 318.371 3.074 10 0 DGAERO CC[C@H](c1ccccc1)[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105867194 194150468 /nfs/dbraw/zinc/15/04/68/194150468.db2.gz DVZOKSSDFDUAMI-QGZVFWFLSA-N 1 0 314.433 3.037 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1)CC2 ZINC000105873909 194152522 /nfs/dbraw/zinc/15/25/22/194152522.db2.gz OKRCMYOGQSYFMZ-IUODEOHRSA-N 1 0 302.397 3.206 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1F ZINC000105895747 194162132 /nfs/dbraw/zinc/16/21/32/194162132.db2.gz UTJANIXFWULTHY-IRXDYDNUSA-N 1 0 317.408 3.047 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000105897756 194162155 /nfs/dbraw/zinc/16/21/55/194162155.db2.gz HGQCCSRAVDRZAZ-CYBMUJFWSA-N 1 0 319.371 3.051 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000105910323 194165892 /nfs/dbraw/zinc/16/58/92/194165892.db2.gz NNIKTQCXJORDGM-RMKNXTFCSA-N 1 0 308.429 3.091 10 0 DGAERO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106075232 194184263 /nfs/dbraw/zinc/18/42/63/194184263.db2.gz ISTXEDKBNIGVBH-GOSISDBHSA-N 1 0 310.445 3.194 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000106423827 194211964 /nfs/dbraw/zinc/21/19/64/194211964.db2.gz IEJMMOUGLWDQRW-KRWDZBQOSA-N 1 0 316.832 3.129 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2sccc2Br)n1 ZINC000221959377 284785832 /nfs/dbraw/zinc/78/58/32/284785832.db2.gz BXXFKGYKBSPACB-SSDOTTSWSA-N 1 0 316.224 3.095 10 0 DGAERO c1ccc2cc(CC[N@@H+]3CCO[C@]4(CCCOC4)C3)ccc2c1 ZINC000285260588 218356045 /nfs/dbraw/zinc/35/60/45/218356045.db2.gz HVONDZKOFDOVBD-HXUWFJFHSA-N 1 0 311.425 3.264 10 0 DGAERO c1ccc2cc(CC[N@@H+]3CCO[C@@]4(CCCOC4)C3)ccc2c1 ZINC000285260583 218356181 /nfs/dbraw/zinc/35/61/81/218356181.db2.gz HVONDZKOFDOVBD-FQEVSTJZSA-N 1 0 311.425 3.264 10 0 DGAERO CC(C)c1nc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000107524089 194255960 /nfs/dbraw/zinc/25/59/60/194255960.db2.gz HTPZJEKYTJUUOZ-CQSZACIVSA-N 1 0 321.490 3.357 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)c(Br)c1 ZINC000109545601 194272991 /nfs/dbraw/zinc/27/29/91/194272991.db2.gz UOKKDSGACFPYTM-MWLCHTKSSA-N 1 0 302.187 3.418 10 0 DGAERO C[NH2+]C[C@H](c1ccccc1)n1nc(C)c(Br)c1C ZINC000052573751 183865232 /nfs/dbraw/zinc/86/52/32/183865232.db2.gz SKIFOTJVJQZWAM-CYBMUJFWSA-N 1 0 308.223 3.071 10 0 DGAERO COc1cc(C)ccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000052495414 183861539 /nfs/dbraw/zinc/86/15/39/183861539.db2.gz OBPMFAWPLVQDLU-UHFFFAOYSA-N 1 0 317.433 3.096 10 0 DGAERO Cc1cccc(NC[C@H]2CCN(c3ccnc(C(C)C)n3)C2)[nH+]1 ZINC000110417573 194328537 /nfs/dbraw/zinc/32/85/37/194328537.db2.gz OWAVOMPQVLYOQJ-OAHLLOKOSA-N 1 0 311.433 3.242 10 0 DGAERO Brc1ccccc1CN1CCC[C@@H]1C[NH2+]C1CC1 ZINC000053649200 183909093 /nfs/dbraw/zinc/90/90/93/183909093.db2.gz ASUVWVLFGHGRSU-CQSZACIVSA-N 1 0 309.251 3.166 10 0 DGAERO [NH3+][C@@H](c1ccccc1)[C@H](O)c1ccc(Br)cc1F ZINC000054681945 183948614 /nfs/dbraw/zinc/94/86/14/183948614.db2.gz MQVCHQQAEHVCPO-UONOGXRCSA-N 1 0 310.166 3.322 10 0 DGAERO COc1ccc([C@H](C[NH3+])Nc2cccc(Cl)c2)c(OC)c1 ZINC000057637748 184043415 /nfs/dbraw/zinc/04/34/15/184043415.db2.gz HJDBNUQLGDNWLL-HNNXBMFYSA-N 1 0 306.793 3.469 10 0 DGAERO O=C1NCC[C@H]1[NH2+][C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000178992450 284893911 /nfs/dbraw/zinc/89/39/11/284893911.db2.gz MEQSQTGWVPJDNV-IAGOWNOFSA-N 1 0 320.864 3.310 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000058862973 184130468 /nfs/dbraw/zinc/13/04/68/184130468.db2.gz JUBIOPKQQFROQE-UHFFFAOYSA-N 1 0 317.820 3.054 10 0 DGAERO O=C(c1ccc(Cl)cc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000058909110 184131436 /nfs/dbraw/zinc/13/14/36/184131436.db2.gz MSOFOMZIYCXCIM-UHFFFAOYSA-N 1 0 310.800 3.180 10 0 DGAERO CC(C)COc1cccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061605416 184176873 /nfs/dbraw/zinc/17/68/73/184176873.db2.gz ZINATYBNMBRLNP-UHFFFAOYSA-N 1 0 316.445 3.032 10 0 DGAERO CC(C)(C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000061604159 184177526 /nfs/dbraw/zinc/17/75/26/184177526.db2.gz NVSZEKRFKUIEGH-UHFFFAOYSA-N 1 0 320.864 3.314 10 0 DGAERO CN(Cc1cccc(Cl)c1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611938 184178731 /nfs/dbraw/zinc/17/87/31/184178731.db2.gz UEWPIASRBTWIDI-INIZCTEOSA-N 1 0 302.805 3.041 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000062347877 184231469 /nfs/dbraw/zinc/23/14/69/184231469.db2.gz XOVYDPKMYIPDFJ-GFCCVEGCSA-N 1 0 321.852 3.210 10 0 DGAERO [NH3+][C@H](CNC(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000062837893 184255487 /nfs/dbraw/zinc/25/54/87/184255487.db2.gz JQXRQBCCYPENJY-CYBMUJFWSA-N 1 0 309.196 3.423 10 0 DGAERO CN(Cc1cc(Br)cs1)[C@H](C[NH3+])c1ccoc1 ZINC000063047877 184268214 /nfs/dbraw/zinc/26/82/14/184268214.db2.gz GGQSRKQCSYNIAK-GFCCVEGCSA-N 1 0 315.236 3.235 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2ccc3[nH]ccc3c2)CC1 ZINC000067867506 184489302 /nfs/dbraw/zinc/48/93/02/184489302.db2.gz QCNGHOKCPHVNTN-AWEZNQCLSA-N 1 0 313.445 3.466 10 0 DGAERO Cc1ccc2cccc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c2n1 ZINC000114579063 194671175 /nfs/dbraw/zinc/67/11/75/194671175.db2.gz CFQFYLHZDSWBFX-MRXNPFEDSA-N 1 0 324.428 3.245 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000116420892 194747160 /nfs/dbraw/zinc/74/71/60/194747160.db2.gz APIYGDHCHRAMOO-DZGCQCFKSA-N 1 0 309.454 3.315 10 0 DGAERO CSc1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000022149531 252584559 /nfs/dbraw/zinc/58/45/59/252584559.db2.gz OPIDXSNPUQZZLG-UHFFFAOYSA-N 1 0 301.411 3.470 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117762012 194846696 /nfs/dbraw/zinc/84/66/96/194846696.db2.gz GIHHNZMZUPDVQG-HDMKZQKVSA-N 1 0 318.461 3.178 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl)C(F)(F)F ZINC000248543505 285004273 /nfs/dbraw/zinc/00/42/73/285004273.db2.gz CLYLENKDXHZION-WCQYABFASA-N 1 0 307.743 3.270 10 0 DGAERO Brc1ccn2cc(C[N@@H+]3CC[C@@H]3C3CC3)nc2c1 ZINC000449424308 532974629 /nfs/dbraw/zinc/97/46/29/532974629.db2.gz DMGUTFAKVQZKHF-CYBMUJFWSA-N 1 0 306.207 3.081 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)[C@@H]2CSc3ccccc32)CC1 ZINC000118324708 194887626 /nfs/dbraw/zinc/88/76/26/194887626.db2.gz UAPYFVLYFRUWPF-MRXNPFEDSA-N 1 0 318.486 3.114 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2CCCc3sccc32)C1 ZINC000248602750 285009880 /nfs/dbraw/zinc/00/98/80/285009880.db2.gz DJWGOEJTEABYFL-VHDGCEQUSA-N 1 0 321.490 3.153 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(-c2ccco2)s1 ZINC000248733054 285020329 /nfs/dbraw/zinc/02/03/29/285020329.db2.gz MLFOKCFJEKJVIO-KGLIPLIRSA-N 1 0 317.458 3.462 10 0 DGAERO CCCOc1ccc(OCC[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1 ZINC000248747122 285022905 /nfs/dbraw/zinc/02/29/05/285022905.db2.gz FQQYVRKPCUYPQR-MUJYYYPQSA-N 1 0 307.434 3.088 10 0 DGAERO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184625815 252748230 /nfs/dbraw/zinc/74/82/30/252748230.db2.gz LCORYEBULYPMSG-LLVKDONJSA-N 1 0 324.446 3.032 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCOCC1 ZINC000179871137 252743899 /nfs/dbraw/zinc/74/38/99/252743899.db2.gz BPLVLXXISWQVHY-LRDDRELGSA-N 1 0 322.836 3.238 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cccc2F)[C@H](C)C1 ZINC000182775999 252746328 /nfs/dbraw/zinc/74/63/28/252746328.db2.gz ANAGTXAVUCEQAC-UKRRQHHQSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)C(C)(C)C[NH+](C)C ZINC000119621987 195003591 /nfs/dbraw/zinc/00/35/91/195003591.db2.gz CUIXOTPNUHQBDM-ZIAGYGMSSA-N 1 0 307.438 3.102 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@H]1c1ccco1)C(C)(C)C[NH+](C)C ZINC000119622143 195003645 /nfs/dbraw/zinc/00/36/45/195003645.db2.gz CUIXOTPNUHQBDM-KBPBESRZSA-N 1 0 307.438 3.102 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3cnc(-c4ccco4)s3)C2)cn1 ZINC000194405853 252761169 /nfs/dbraw/zinc/76/11/69/252761169.db2.gz XVIPMFDVAJCKHF-LBPRGKRZSA-N 1 0 314.414 3.126 10 0 DGAERO Cc1ccc(C)c([C@H]2CN(CCOCC(F)F)[C@@H](C)CO2)c1 ZINC000248933905 285039822 /nfs/dbraw/zinc/03/98/22/285039822.db2.gz BSBVEZRBEFRNHB-GOEBONIOSA-N 1 0 313.388 3.347 10 0 DGAERO CCOCCN1CC[N@H+](CC[C@H](C)c2ccccc2)C[C@@H]1C ZINC000248887214 285036302 /nfs/dbraw/zinc/03/63/02/285036302.db2.gz MMQMYILMOHTOPT-ROUUACIJSA-N 1 0 304.478 3.223 10 0 DGAERO CCC1(CC)CN([C@H](C)c2cccc(OC)c2)CC[S@@]1=O ZINC000248986311 285043527 /nfs/dbraw/zinc/04/35/27/285043527.db2.gz JYVZPIVYZJBMLW-SZNDQCEHSA-N 1 0 309.475 3.379 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000249040521 285048457 /nfs/dbraw/zinc/04/84/57/285048457.db2.gz UQSBQVAWWCXRGE-JJRVBVJISA-N 1 0 313.445 3.199 10 0 DGAERO Cc1cc(C)n(C[C@H]2C[N@H+](C[C@@H]3C(C)=CCC[C@@H]3C)CCO2)n1 ZINC000249104244 285056372 /nfs/dbraw/zinc/05/63/72/285056372.db2.gz QDLJSRPEXJIJEV-KFKAGJAMSA-N 1 0 317.477 3.193 10 0 DGAERO COc1ccc([C@H]2CC[N@H+](C[C@@H](O)CC3CCCC3)C2)cc1 ZINC000249128885 285058466 /nfs/dbraw/zinc/05/84/66/285058466.db2.gz UPRSACZSYBMGCY-ROUUACIJSA-N 1 0 303.446 3.426 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000310417496 252907186 /nfs/dbraw/zinc/90/71/86/252907186.db2.gz KCQMTOOBWACUMG-JMJZKYOTSA-N 1 0 316.264 3.249 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000249140814 285059670 /nfs/dbraw/zinc/05/96/70/285059670.db2.gz XVMUYVLSTZKJPX-JQHSSLGASA-N 1 0 313.445 3.159 10 0 DGAERO COC[C@H](C)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249250100 285064389 /nfs/dbraw/zinc/06/43/89/285064389.db2.gz BWKXTYPIHNPDON-RLCCDNCMSA-N 1 0 314.832 3.096 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000249179056 285061589 /nfs/dbraw/zinc/06/15/89/285061589.db2.gz GXFHYBWRPWULBF-CEXWTWQISA-N 1 0 300.446 3.097 10 0 DGAERO CCC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000249399920 285072304 /nfs/dbraw/zinc/07/23/04/285072304.db2.gz UXBJMDFHMWGLOP-CHWSQXEVSA-N 1 0 308.388 3.298 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(CCO)CC1 ZINC000336783844 253001285 /nfs/dbraw/zinc/00/12/85/253001285.db2.gz GZCZLAYLUDTTAK-GFCCVEGCSA-N 1 0 312.251 3.132 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249567216 285080844 /nfs/dbraw/zinc/08/08/44/285080844.db2.gz NIOUUFPHIBVOMV-YJYMSZOUSA-N 1 0 314.429 3.142 10 0 DGAERO CCn1c2cccc(F)c2nc1C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249533429 285079813 /nfs/dbraw/zinc/07/98/13/285079813.db2.gz BRBNUBLXMAUAOF-FZKQIMNGSA-N 1 0 319.424 3.178 10 0 DGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CCC1=CCCC1 ZINC000120149473 195106405 /nfs/dbraw/zinc/10/64/05/195106405.db2.gz YXAMGYAETYAUAV-UHFFFAOYSA-N 1 0 317.355 3.260 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(Br)cc1F ZINC000251499342 285096535 /nfs/dbraw/zinc/09/65/35/285096535.db2.gz FORDGUZQIVCRDB-PKFCDNJMSA-N 1 0 316.214 3.400 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@H]1C ZINC000251939374 285100178 /nfs/dbraw/zinc/10/01/78/285100178.db2.gz UNIRKHWJTBOWTD-IUODEOHRSA-N 1 0 317.351 3.485 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCc1nnc2n1CCC2 ZINC000338149735 253232262 /nfs/dbraw/zinc/23/22/62/253232262.db2.gz VITLPLQFMMUNRJ-QBFSEMIESA-N 1 0 316.836 3.113 10 0 DGAERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(F)c1 ZINC000159175259 197333183 /nfs/dbraw/zinc/33/31/83/197333183.db2.gz FORKHFOFLMRKIS-KBXCAEBGSA-N 1 0 314.404 3.176 10 0 DGAERO c1csc(CC[NH+]2CCN(c3ccnc4cccnc43)CC2)c1 ZINC000338656559 253328217 /nfs/dbraw/zinc/32/82/17/253328217.db2.gz PFPMRJIEJRTOCO-UHFFFAOYSA-N 1 0 324.453 3.056 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C/C=C\c1cccc(F)c1 ZINC000255148023 285134446 /nfs/dbraw/zinc/13/44/46/285134446.db2.gz MZLKZXBSISJTML-CTOCQWKHSA-N 1 0 304.409 3.028 10 0 DGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000339985185 253550254 /nfs/dbraw/zinc/55/02/54/253550254.db2.gz KKQWDILIASAKIP-QOIYZWAUSA-N 1 0 319.445 3.043 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccnc2)cc1NC(C)=O ZINC000158543769 197281979 /nfs/dbraw/zinc/28/19/79/197281979.db2.gz MIHNXQKIHNHJSE-STQMWFEESA-N 1 0 313.401 3.460 10 0 DGAERO CCN(c1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1)C(C)C ZINC000261774735 285145390 /nfs/dbraw/zinc/14/53/90/285145390.db2.gz KQAIMLYEMWYQNQ-CRAIPNDOSA-N 1 0 317.477 3.121 10 0 DGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC23CCC3)C1 ZINC000445259031 296385176 /nfs/dbraw/zinc/38/51/76/296385176.db2.gz BRQGDCNEGWNANP-OAHLLOKOSA-N 1 0 307.482 3.225 10 0 DGAERO C[C@H](CNC(=O)C/C=C\c1cccc(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000255491239 285157788 /nfs/dbraw/zinc/15/77/88/285157788.db2.gz XTZJORSYJDCPJD-COXDATCZSA-N 1 0 318.436 3.466 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175957538 533112598 /nfs/dbraw/zinc/11/25/98/533112598.db2.gz RLRLMLLQQVQZNT-CPUCHLNUSA-N 1 0 319.449 3.340 10 0 DGAERO CC[C@@H]1CN(CCCc2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000157944716 197229588 /nfs/dbraw/zinc/22/95/88/197229588.db2.gz XMHTZDKJMNLRDK-CRAIPNDOSA-N 1 0 324.896 3.050 10 0 DGAERO COc1cccc(OCC[N@H+](C)CCc2ncc(C)s2)c1 ZINC000157870210 197222546 /nfs/dbraw/zinc/22/25/46/197222546.db2.gz LSLJQZWZVYXRSV-UHFFFAOYSA-N 1 0 306.431 3.013 10 0 DGAERO CC[C@@H]1CN(C/C(C)=C\c2ccccc2)CC[N@@H+]1CCOC ZINC000255589963 285167078 /nfs/dbraw/zinc/16/70/78/285167078.db2.gz MRUAHIVPMRZPPK-RBAUTDOXSA-N 1 0 302.462 3.133 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C)CCc2ncc(C)s2)c1 ZINC000157581346 197198490 /nfs/dbraw/zinc/19/84/90/197198490.db2.gz DQMOYICACLUJQL-UHFFFAOYSA-N 1 0 306.431 3.143 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342819826 254058724 /nfs/dbraw/zinc/05/87/24/254058724.db2.gz DOVJDHDYUGKEAK-HZPDHXFCSA-N 1 0 315.442 3.349 10 0 DGAERO c1nc(-c2ccncc2)sc1CNCCC[NH+]1CCCCC1 ZINC000343059062 254092612 /nfs/dbraw/zinc/09/26/12/254092612.db2.gz ARYJNNMVMYDGPD-UHFFFAOYSA-N 1 0 316.474 3.171 10 0 DGAERO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000157328791 197179974 /nfs/dbraw/zinc/17/99/74/197179974.db2.gz ZHBIXYVJOLRRBD-GJZGRUSLSA-N 1 0 322.449 3.447 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C/C=C\c2ccc(F)cc2)CC1 ZINC000255776595 285180196 /nfs/dbraw/zinc/18/01/96/285180196.db2.gz PUYKJQSRVYQFBJ-ARJAWSKDSA-N 1 0 318.436 3.466 10 0 DGAERO c1cc(COc2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)ccn1 ZINC000344282770 254249968 /nfs/dbraw/zinc/24/99/68/254249968.db2.gz YZMPCSBLKFAQEQ-GOSISDBHSA-N 1 0 312.413 3.177 10 0 DGAERO CC[C@@H]1CCc2nc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000262269457 285193952 /nfs/dbraw/zinc/19/39/52/285193952.db2.gz ICNGBIWQJMWRFI-WOPDTQHZSA-N 1 0 307.463 3.114 10 0 DGAERO CC(C)c1nnc(CN2CC[C@H](Oc3cccc(Cl)c3)C2)o1 ZINC000120334301 195144913 /nfs/dbraw/zinc/14/49/13/195144913.db2.gz QIAMBGDDHVWIDT-AWEZNQCLSA-N 1 0 321.808 3.500 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(OCC(F)(F)F)cc1)[NH+](C)C ZINC000156871552 197146744 /nfs/dbraw/zinc/14/67/44/197146744.db2.gz KULVKNSBUVNMFI-CYBMUJFWSA-N 1 0 318.339 3.297 10 0 DGAERO Cc1cccc2cc(C(=O)N(CC[NH3+])CCc3ccccc3)oc21 ZINC000261821413 285193500 /nfs/dbraw/zinc/19/35/00/285193500.db2.gz XWLODJHGEYKLGS-UHFFFAOYSA-N 1 0 322.408 3.385 10 0 DGAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2c1cccc2Cl ZINC000262472779 285195465 /nfs/dbraw/zinc/19/54/65/285195465.db2.gz OMONVCUDSRPVBZ-DFBGVHRSSA-N 1 0 304.821 3.150 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cc1OC ZINC000155970022 197078347 /nfs/dbraw/zinc/07/83/47/197078347.db2.gz UULUYEUWQNCWSP-DZKIICNBSA-N 1 0 306.450 3.083 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccnc3ccccc23)C1 ZINC000155636729 197074559 /nfs/dbraw/zinc/07/45/59/197074559.db2.gz WULCXQGNXZMKJU-GYHFNDTMSA-N 1 0 323.440 3.093 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000155628340 197073468 /nfs/dbraw/zinc/07/34/68/197073468.db2.gz IFVLSDFMKGTNFW-SRVKXCTJSA-N 1 0 314.882 3.350 10 0 DGAERO C[C@H](C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C)c1ccc(Cl)s1 ZINC000155502128 197060923 /nfs/dbraw/zinc/06/09/23/197060923.db2.gz SWJUIAXMFAFPBT-MXWKQRLJSA-N 1 0 300.855 3.056 10 0 DGAERO Cc1c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cccc1-c1ccccn1 ZINC000155103333 197022819 /nfs/dbraw/zinc/02/28/19/197022819.db2.gz GGFYPWVOKUVNTH-GASCZTMLSA-N 1 0 323.440 3.222 10 0 DGAERO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1COc2ccccc21 ZINC000120367146 195151763 /nfs/dbraw/zinc/15/17/63/195151763.db2.gz LMGUGNDVHWMMGL-KBXCAEBGSA-N 1 0 324.424 3.043 10 0 DGAERO CCOc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000120561730 195191591 /nfs/dbraw/zinc/19/15/91/195191591.db2.gz OLNJBEYEUGUBOT-PBHICJAKSA-N 1 0 319.449 3.279 10 0 DGAERO CCCn1cc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000120619889 195202066 /nfs/dbraw/zinc/20/20/66/195202066.db2.gz HMRRCNYQQAWQGX-SFHVURJKSA-N 1 0 318.509 3.237 10 0 DGAERO CC(C)Oc1cccc(C[N@H+](C)C[C@H](O)COC(C)(C)C)c1 ZINC000120672594 195212873 /nfs/dbraw/zinc/21/28/73/195212873.db2.gz KLBUZHYNZFNIHI-INIZCTEOSA-N 1 0 309.450 3.082 10 0 DGAERO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)CCC2 ZINC000120700703 195218704 /nfs/dbraw/zinc/21/87/04/195218704.db2.gz GSAIQWSJJTUNNU-BONVTDFDSA-N 1 0 318.490 3.400 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(F)c1C ZINC000120777884 195236567 /nfs/dbraw/zinc/23/65/67/195236567.db2.gz HJYVLNJEROMTCY-UONOGXRCSA-N 1 0 305.397 3.225 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000289884513 221290463 /nfs/dbraw/zinc/29/04/63/221290463.db2.gz RXJQQHQMHZQEBM-KRWDZBQOSA-N 1 0 306.381 3.040 10 0 DGAERO CCC[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)[C@@H]1CC ZINC000248177658 257107241 /nfs/dbraw/zinc/10/72/41/257107241.db2.gz WOVQBMJDOQRWCG-PKOBYXMFSA-N 1 0 315.461 3.227 10 0 DGAERO CO[C@@H]1CC[N@H+](Cc2cccc(C)n2)C[C@H]1Cc1ccccc1 ZINC000247880925 257116395 /nfs/dbraw/zinc/11/63/95/257116395.db2.gz QYEQQIZEIILARP-UYAOXDASSA-N 1 0 310.441 3.470 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCCC[C@H]1n1cccn1)c1ccc(Cl)cc1 ZINC000251504272 285357282 /nfs/dbraw/zinc/35/72/82/285357282.db2.gz FWDMQINLPDTWBA-GVDBMIGSSA-N 1 0 319.836 3.343 10 0 DGAERO Cc1ccc(C)c([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c1 ZINC000071790573 184842048 /nfs/dbraw/zinc/84/20/48/184842048.db2.gz LCCDNSAFCFIDII-GOEBONIOSA-N 1 0 304.434 3.355 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000121040120 195284775 /nfs/dbraw/zinc/28/47/75/195284775.db2.gz KFAARTRDWZLWEW-KDOFPFPSSA-N 1 0 312.413 3.405 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc3[nH]ccc32)C1 ZINC000121915725 195372747 /nfs/dbraw/zinc/37/27/47/195372747.db2.gz XJQONTDOTFEKII-WBMJQRKESA-N 1 0 300.406 3.018 10 0 DGAERO COc1c(C)cc(C[NH+]2CCC(Cn3cccn3)CC2)cc1C ZINC000122070994 195396943 /nfs/dbraw/zinc/39/69/43/195396943.db2.gz SMYGUHSYTJUBCT-UHFFFAOYSA-N 1 0 313.445 3.421 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)c1 ZINC000123003978 195531780 /nfs/dbraw/zinc/53/17/80/195531780.db2.gz JJJDOSQLQUDCQZ-SFHVURJKSA-N 1 0 321.428 3.419 10 0 DGAERO Cc1ncc(CN2CCC([NH+]3CCCC3)CC2)n1-c1ccccc1 ZINC000127734344 195905278 /nfs/dbraw/zinc/90/52/78/195905278.db2.gz BSKXFBJWXZIYRJ-UHFFFAOYSA-N 1 0 324.472 3.241 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000310506069 533282146 /nfs/dbraw/zinc/28/21/46/533282146.db2.gz SPQMFJFYINNVNL-UWVGGRQHSA-N 1 0 322.268 3.213 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000176005110 533588628 /nfs/dbraw/zinc/58/86/28/533588628.db2.gz XCLHCRGRHHSWRK-ZBFHGGJFSA-N 1 0 318.461 3.419 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]CCC(=O)NC(C)C)CCCO2 ZINC000177867082 292010035 /nfs/dbraw/zinc/01/00/35/292010035.db2.gz NJFQWADUBJEQCQ-MRXNPFEDSA-N 1 0 304.434 3.021 10 0 DGAERO O=C(Nc1cc(Cl)ccn1)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000584591959 400086093 /nfs/dbraw/zinc/08/60/93/400086093.db2.gz GEMPPFKUBFCNLS-UHFFFAOYSA-N 1 0 315.804 3.454 10 0 DGAERO COc1ccccc1[C@@H](C)N[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000006589799 400093302 /nfs/dbraw/zinc/09/33/02/400093302.db2.gz ZHABTSUWTLEGKA-CHWSQXEVSA-N 1 0 323.396 3.344 10 0 DGAERO Cc1ccc(C[C@@]2(O)CN(c3ccccc3)c3cccc[n+]32)cc1 ZINC000000389458 400079439 /nfs/dbraw/zinc/07/94/39/400079439.db2.gz LBVKURNLLMCGBK-OAQYLSRUSA-N 1 0 317.412 3.322 10 0 DGAERO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCn2ccccc2=O)o1 ZINC000608510805 400081667 /nfs/dbraw/zinc/08/16/67/400081667.db2.gz ULPKOPSFABXOKL-GDBMZVCRSA-N 1 0 300.402 3.223 10 0 DGAERO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCn2ccccc2=O)o1 ZINC000608510972 400083502 /nfs/dbraw/zinc/08/35/02/400083502.db2.gz UROZYDYMITYEJN-RDJZCZTQSA-N 1 0 314.429 3.477 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CSCCF)c2ccccc21 ZINC000595033816 400083765 /nfs/dbraw/zinc/08/37/65/400083765.db2.gz DFBKRJJLWIYDMS-IUODEOHRSA-N 1 0 310.438 3.165 10 0 DGAERO COC(=O)c1cnc(C2CCCCC2)nc1[C@H]1CCCC[NH2+]1 ZINC000616578365 400176997 /nfs/dbraw/zinc/17/69/97/400176997.db2.gz LULBBKBNTHCXIE-CQSZACIVSA-N 1 0 303.406 3.126 10 0 DGAERO CCOC(=O)c1ccc([C@@H]2COCC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616596823 400180209 /nfs/dbraw/zinc/18/02/09/400180209.db2.gz CHVHYXFMVMLGOE-INIZCTEOSA-N 1 0 305.418 3.078 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CC[N@H+](C)CCO1 ZINC000616595878 400180347 /nfs/dbraw/zinc/18/03/47/400180347.db2.gz ZIDWYAXISXIXDK-MRXNPFEDSA-N 1 0 320.433 3.451 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CC[NH2+]CCO1 ZINC000616594254 400180358 /nfs/dbraw/zinc/18/03/58/400180358.db2.gz PHLAXSYGEBJQTL-OAHLLOKOSA-N 1 0 306.406 3.109 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCC[N@@H+]2CCO)cc1 ZINC000616633641 400189011 /nfs/dbraw/zinc/18/90/11/400189011.db2.gz PXWNZKVHWRXLMF-OAHLLOKOSA-N 1 0 306.406 3.163 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccnc2ccccc21 ZINC000616604108 400182907 /nfs/dbraw/zinc/18/29/07/400182907.db2.gz KZEYRVOORMUTMZ-INIZCTEOSA-N 1 0 313.401 3.116 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCN2CC[NH3+])cc1 ZINC000616606472 400183077 /nfs/dbraw/zinc/18/30/77/400183077.db2.gz BFHPGBATOZBSGB-OAHLLOKOSA-N 1 0 305.422 3.129 10 0 DGAERO C[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CCc2nccn2C1 ZINC000328648969 400183336 /nfs/dbraw/zinc/18/33/36/400183336.db2.gz UUZPQODEPGDJJP-LBPRGKRZSA-N 1 0 307.800 3.370 10 0 DGAERO COCCOC1CCN(c2cc[nH+]c3c(C)cccc23)CC1 ZINC000091483495 400124022 /nfs/dbraw/zinc/12/40/22/400124022.db2.gz ZKINKBLKUXNHAP-UHFFFAOYSA-N 1 0 300.402 3.175 10 0 DGAERO Ic1cccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000308861485 400129924 /nfs/dbraw/zinc/12/99/24/400129924.db2.gz BNUOPRNOGBPVSO-ITGUQSILSA-N 1 0 313.182 3.179 10 0 DGAERO c1ccc2c(c1)[nH]c1c2CC[NH2+][C@@H]1c1ccc2c(c1)OCCO2 ZINC000019688786 400186777 /nfs/dbraw/zinc/18/67/77/400186777.db2.gz SCFGMROFCOHJQC-GOSISDBHSA-N 1 0 306.365 3.174 10 0 DGAERO CCCC[NH+]1CCC(COC(=O)c2cccc3c2OCO3)CC1 ZINC000013732251 400153357 /nfs/dbraw/zinc/15/33/57/400153357.db2.gz DKCWXYBZQVYSFQ-UHFFFAOYSA-N 1 0 319.401 3.084 10 0 DGAERO CC[NH+]1CCC(CNC(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000588925753 400245289 /nfs/dbraw/zinc/24/52/89/400245289.db2.gz LHNNKWDNIQQHTR-UHFFFAOYSA-N 1 0 319.836 3.283 10 0 DGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000588927662 400246732 /nfs/dbraw/zinc/24/67/32/400246732.db2.gz PEHBCGBAHCVYMJ-LBPRGKRZSA-N 1 0 319.836 3.281 10 0 DGAERO CCOC(=O)c1ccccc1[C@H]1COCCC[N@@H+]1C(C)(C)C ZINC000616645957 400192603 /nfs/dbraw/zinc/19/26/03/400192603.db2.gz MKIGYJCUPWUQEX-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO CCOC(=O)c1ccccc1[C@@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616648763 400193148 /nfs/dbraw/zinc/19/31/48/400193148.db2.gz BLMYRBZBCDBTLB-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1C[NH2+]CCCO1 ZINC000616652377 400193815 /nfs/dbraw/zinc/19/38/15/400193815.db2.gz WMTLKQPDTHPVME-OAHLLOKOSA-N 1 0 306.406 3.109 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2C[N@H+](C)CCCO2)c1 ZINC000616652809 400193831 /nfs/dbraw/zinc/19/38/31/400193831.db2.gz WUUSXWXLPCSTHK-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1COCC[N@H+](C)C1 ZINC000616660603 400195277 /nfs/dbraw/zinc/19/52/77/400195277.db2.gz LDQHYFUZSUPMQH-AWEZNQCLSA-N 1 0 320.433 3.104 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CC[NH2+]CCO2)cc1 ZINC000616665138 400197008 /nfs/dbraw/zinc/19/70/08/400197008.db2.gz ODXDDWLOIRVDAC-HNNXBMFYSA-N 1 0 306.406 3.109 10 0 DGAERO Fc1ccc(C(c2ccc(F)cc2)N2CCC[NH2+]CC2)cc1 ZINC000022099147 400197997 /nfs/dbraw/zinc/19/79/97/400197997.db2.gz VRQLHWIUHJUPDD-UHFFFAOYSA-N 1 0 302.368 3.350 10 0 DGAERO Fc1ccc(C(c2ccc(F)cc2F)N2CC[NH2+]CC2)c(F)c1 ZINC000022125742 400198651 /nfs/dbraw/zinc/19/86/51/400198651.db2.gz NVAYYCNAZFWKGE-UHFFFAOYSA-N 1 0 324.321 3.238 10 0 DGAERO CC(C)[C@@H](C)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067772892 400201815 /nfs/dbraw/zinc/20/18/15/400201815.db2.gz DYMZJLWHKLOZFT-MRXNPFEDSA-N 1 0 317.477 3.242 10 0 DGAERO CC(C)[NH+](CCNC(=O)N(C)CCc1ccc(F)cc1)C(C)C ZINC000098024169 400289128 /nfs/dbraw/zinc/28/91/28/400289128.db2.gz QILDIDCQMAHXKY-UHFFFAOYSA-N 1 0 323.456 3.128 10 0 DGAERO C[C@H](NCc1ccns1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000404431140 400295899 /nfs/dbraw/zinc/29/58/99/400295899.db2.gz MQUBMPBCBTVNRM-GOEBONIOSA-N 1 0 301.459 3.143 10 0 DGAERO C/C(=C/c1cc(Cl)ccc1I)C[NH3+] ZINC000405899455 400299049 /nfs/dbraw/zinc/29/90/49/400299049.db2.gz ZHUOHWOQAWVCOE-DAXSKMNVSA-N 1 0 307.562 3.307 10 0 DGAERO CC[N@@H+]1CCC[C@H](Nc2nc(-c3ccncc3)nc(C)c2C)C1 ZINC000113247002 400379350 /nfs/dbraw/zinc/37/93/50/400379350.db2.gz LOGYELASQVZJQI-INIZCTEOSA-N 1 0 311.433 3.052 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]CCc1cccnc1)c1ccccc1 ZINC000611405737 400394493 /nfs/dbraw/zinc/39/44/93/400394493.db2.gz PMOYHZSZZQCLIZ-QGZVFWFLSA-N 1 0 312.413 3.154 10 0 DGAERO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)Nc1ccc(Cl)cn1 ZINC000113977871 400384320 /nfs/dbraw/zinc/38/43/20/400384320.db2.gz MYLRGXYBZWNYRY-LBPRGKRZSA-N 1 0 316.792 3.456 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000611404855 400394604 /nfs/dbraw/zinc/39/46/04/400394604.db2.gz UFHPRWYWCJLSPL-JKSUJKDBSA-N 1 0 305.418 3.086 10 0 DGAERO NC(=[NH2+])c1ccc(COc2ccc(Br)cc2F)cc1 ZINC000034957345 400386822 /nfs/dbraw/zinc/38/68/22/400386822.db2.gz CKSSNVISCCCEDB-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)C(C)(C)C ZINC000114473433 400386854 /nfs/dbraw/zinc/38/68/54/400386854.db2.gz SNCCINZPZGBKCU-SECBINFHSA-N 1 0 309.410 3.398 10 0 DGAERO CCCOc1ccc(CNC(=O)C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000114474955 400387528 /nfs/dbraw/zinc/38/75/28/400387528.db2.gz GFXDSACQGZNGBZ-CQSZACIVSA-N 1 0 306.450 3.116 10 0 DGAERO CCCOc1ccc(Br)cc1C[NH2+][C@@H](C)COC ZINC000034991603 400387547 /nfs/dbraw/zinc/38/75/47/400387547.db2.gz RYGHNJRDNPHZFO-NSHDSACASA-N 1 0 316.239 3.362 10 0 DGAERO CSCCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000069446718 400330229 /nfs/dbraw/zinc/33/02/29/400330229.db2.gz ATWYHXKEXQVVMC-SNVBAGLBSA-N 1 0 324.273 3.076 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCCc1ccccc1 ZINC000589883881 400336888 /nfs/dbraw/zinc/33/68/88/400336888.db2.gz GDPUNMJHTKOGHL-GOSISDBHSA-N 1 0 302.462 3.390 10 0 DGAERO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)NCC1CCC1 ZINC000108851936 400348438 /nfs/dbraw/zinc/34/84/38/400348438.db2.gz LSNQXWDLFUCBCK-KRWDZBQOSA-N 1 0 306.837 3.297 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cnc(C)s1)c1ccccc1 ZINC000611152395 400351582 /nfs/dbraw/zinc/35/15/82/400351582.db2.gz PJGYSDFQIZAYCU-OAHLLOKOSA-N 1 0 318.442 3.482 10 0 DGAERO C[C@@H]([NH3+])CCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000070317685 400353473 /nfs/dbraw/zinc/35/34/73/400353473.db2.gz FZGYSDDQDJRLQD-BDJLRTHQSA-N 1 0 306.406 3.220 10 0 DGAERO Cc1ccc(C(C)C)cc1OCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000110696457 400358483 /nfs/dbraw/zinc/35/84/83/400358483.db2.gz JANXNHXJGYCOTB-OAHLLOKOSA-N 1 0 318.461 3.096 10 0 DGAERO CCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000070892572 400360718 /nfs/dbraw/zinc/36/07/18/400360718.db2.gz RNXRTDFCPBKLFJ-LZLYRXPVSA-N 1 0 318.461 3.095 10 0 DGAERO CCC(CC)(CNC(=O)[C@H](C)COC)[NH2+][C@@H](C)c1ccccc1 ZINC000111634870 400366184 /nfs/dbraw/zinc/36/61/84/400366184.db2.gz KAORJPJIBVSMKV-CVEARBPZSA-N 1 0 320.477 3.295 10 0 DGAERO COC(=O)[C@@H](C[NH+](C)C)c1ccc(OCc2ccccc2)cc1 ZINC000115159367 400393764 /nfs/dbraw/zinc/39/37/64/400393764.db2.gz RBFIDMIOINKEON-SFHVURJKSA-N 1 0 313.397 3.084 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000037166165 400393894 /nfs/dbraw/zinc/39/38/94/400393894.db2.gz NMBUTHAPWJSXKN-DZGCQCFKSA-N 1 0 306.406 3.342 10 0 DGAERO CCn1c2ccccc2cc(C[NH2+]CCc2ccccc2)c1=O ZINC000039287571 400398380 /nfs/dbraw/zinc/39/83/80/400398380.db2.gz BWPSIAJKOOSFJU-UHFFFAOYSA-N 1 0 306.409 3.354 10 0 DGAERO c1ccc2nc(C[NH2+]Cc3ccc4c(c3)OCCO4)ccc2c1 ZINC000072822509 400407224 /nfs/dbraw/zinc/40/72/24/400407224.db2.gz FXDIZEGKXXASQR-UHFFFAOYSA-N 1 0 306.365 3.296 10 0 DGAERO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccncn2)cc1 ZINC000116743070 400412688 /nfs/dbraw/zinc/41/26/88/400412688.db2.gz DEBZZOLMKVPGDM-UHFFFAOYSA-N 1 0 323.375 3.071 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C)[nH]1 ZINC000590717053 400422160 /nfs/dbraw/zinc/42/21/60/400422160.db2.gz YMEQJHVTKYNFHZ-QGZVFWFLSA-N 1 0 317.477 3.360 10 0 DGAERO CC(C)CCn1cccc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000119105983 400434000 /nfs/dbraw/zinc/43/40/00/400434000.db2.gz WOZUZEPIFIIGEH-IBGZPJMESA-N 1 0 300.446 3.227 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000590785287 400434540 /nfs/dbraw/zinc/43/45/40/400434540.db2.gz OYMMUXCPTJCVQL-UHFFFAOYSA-N 1 0 313.397 3.010 10 0 DGAERO CC[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1nccs1 ZINC000121982868 400458385 /nfs/dbraw/zinc/45/83/85/400458385.db2.gz ZDZNMIZKVPAAPP-ZDUSSCGKSA-N 1 0 324.494 3.158 10 0 DGAERO CCCOc1ccc(C[NH2+]Cc2cccnc2C)cc1OC ZINC000590880808 400453376 /nfs/dbraw/zinc/45/33/76/400453376.db2.gz JBFHERLNOKJZAA-UHFFFAOYSA-N 1 0 300.402 3.477 10 0 DGAERO CCOc1cc([C@@H]([NH3+])CCO)ccc1OCc1ccccc1 ZINC000044234865 400486852 /nfs/dbraw/zinc/48/68/52/400486852.db2.gz VHQNUIDTETVVFK-INIZCTEOSA-N 1 0 301.386 3.047 10 0 DGAERO O[C@H](C[NH2+]Cc1ccoc1)COc1c(Cl)cccc1Cl ZINC000126060965 400487937 /nfs/dbraw/zinc/48/79/37/400487937.db2.gz NSJNOIVGZGIFCQ-LLVKDONJSA-N 1 0 316.184 3.116 10 0 DGAERO c1ccc(-c2cccc(C[NH2+]C3CCN(C4CC4)CC3)c2)nc1 ZINC000126456175 400492495 /nfs/dbraw/zinc/49/24/95/400492495.db2.gz KWIIWOIJCGFFHO-UHFFFAOYSA-N 1 0 307.441 3.465 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)Cn1ccc2ccccc21)c1ccccc1 ZINC000126554093 400493527 /nfs/dbraw/zinc/49/35/27/400493527.db2.gz JBGJQHNJBTYDJW-SFHVURJKSA-N 1 0 321.424 3.060 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000134441683 400576885 /nfs/dbraw/zinc/57/68/85/400576885.db2.gz NOCUNAZQVWWHAB-IAGOWNOFSA-N 1 0 308.853 3.101 10 0 DGAERO c1cc2c(ccnc2NCC2([NH+]3CCCC3)CCOCC2)s1 ZINC000591371760 400514329 /nfs/dbraw/zinc/51/43/29/400514329.db2.gz UVXHYHJSYZBVRC-UHFFFAOYSA-N 1 0 317.458 3.353 10 0 DGAERO C[C@@H]([NH2+]CCc1csc(N2CCCC2)n1)c1cncc(F)c1 ZINC000129526257 400527139 /nfs/dbraw/zinc/52/71/39/400527139.db2.gz JKUPIBYQGWBYMK-GFCCVEGCSA-N 1 0 320.437 3.171 10 0 DGAERO Cc1noc(C2CC2)c1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000129976807 400533356 /nfs/dbraw/zinc/53/33/56/400533356.db2.gz CILQUOUWVMJBAC-CQSZACIVSA-N 1 0 320.437 3.102 10 0 DGAERO Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)sc1C ZINC000132177099 400556822 /nfs/dbraw/zinc/55/68/22/400556822.db2.gz QYTNYVQIVXORAJ-INIZCTEOSA-N 1 0 316.470 3.268 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000075977754 400624628 /nfs/dbraw/zinc/62/46/28/400624628.db2.gz NUBXKHBHOTZGSH-CRAIPNDOSA-N 1 0 315.461 3.126 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000076051796 400629683 /nfs/dbraw/zinc/62/96/83/400629683.db2.gz SDDPFPODMFIKFI-SOUVJXGZSA-N 1 0 321.490 3.229 10 0 DGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCSC)C1 ZINC000134903615 400582820 /nfs/dbraw/zinc/58/28/20/400582820.db2.gz XTYJOTNOTDBTAD-AWEZNQCLSA-N 1 0 300.512 3.146 10 0 DGAERO COC(=O)c1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)c(F)c1 ZINC000136392699 400590877 /nfs/dbraw/zinc/59/08/77/400590877.db2.gz VGGQBWIEPGSADJ-MRXNPFEDSA-N 1 0 317.364 3.063 10 0 DGAERO COC(=O)c1ccc(-c2nc3cc(NC(C)=[NH2+])ccc3[nH]2)cc1 ZINC000146356261 400648650 /nfs/dbraw/zinc/64/86/50/400648650.db2.gz GJDUFCPSXDEZAR-UHFFFAOYSA-N 1 0 308.341 3.426 10 0 DGAERO C[C@@H]1C[NH2+]CCN1c1nc2ccc(C(F)(F)F)cc2s1 ZINC000145827777 400647381 /nfs/dbraw/zinc/64/73/81/400647381.db2.gz QNNNHQQYZKNESC-MRVPVSSYSA-N 1 0 301.337 3.113 10 0 DGAERO CCc1cc(Br)ccc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000148215567 400654200 /nfs/dbraw/zinc/65/42/00/400654200.db2.gz YEOAQGGWFXIUHQ-CQSZACIVSA-N 1 0 311.223 3.092 10 0 DGAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Br)c(Br)o1 ZINC000052274991 400726013 /nfs/dbraw/zinc/72/60/13/400726013.db2.gz PYTZKIKQYQPJFO-YLWLKBPMSA-N 1 0 309.001 3.303 10 0 DGAERO CC(C)(C)C[N@H+](CCO)Cc1csc(Br)c1 ZINC000163936014 400748592 /nfs/dbraw/zinc/74/85/92/400748592.db2.gz AIGMCJIRYZUEMV-UHFFFAOYSA-N 1 0 306.269 3.351 10 0 DGAERO [NH2+]=C1NC[C@@H](c2ccc(F)c(Cl)c2)N1Cc1ccccc1 ZINC000164709825 400750677 /nfs/dbraw/zinc/75/06/77/400750677.db2.gz XIZWJAKBAALUMY-HNNXBMFYSA-N 1 0 303.768 3.351 10 0 DGAERO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000077176871 400692488 /nfs/dbraw/zinc/69/24/88/400692488.db2.gz GQNFRPILCGBAHT-CJNGLKHVSA-N 1 0 313.869 3.379 10 0 DGAERO CC1(C)C[C@H]1NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604180598 400752637 /nfs/dbraw/zinc/75/26/37/400752637.db2.gz LJELDEZQACJVFV-IAGOWNOFSA-N 1 0 315.461 3.311 10 0 DGAERO Cc1ccccc1OC[C@H](O)C[NH2+]CCSc1ccccc1 ZINC000169345706 400758047 /nfs/dbraw/zinc/75/80/47/400758047.db2.gz MYBBSSHHLWNUEU-MRXNPFEDSA-N 1 0 317.454 3.117 10 0 DGAERO Brc1cccc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000054301336 400817923 /nfs/dbraw/zinc/81/79/23/400817923.db2.gz CNNUHGXUKJMPOK-JTQLQIEISA-N 1 0 322.206 3.041 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000170835181 400776201 /nfs/dbraw/zinc/77/62/01/400776201.db2.gz LZVBUKKOTXMQLB-PBHICJAKSA-N 1 0 315.461 3.145 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000170835178 400776324 /nfs/dbraw/zinc/77/63/24/400776324.db2.gz LZVBUKKOTXMQLB-YOEHRIQHSA-N 1 0 315.461 3.145 10 0 DGAERO CC(C)Cc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170862320 400777847 /nfs/dbraw/zinc/77/78/47/400777847.db2.gz MELGZRPALXLNAO-YJBOKZPZSA-N 1 0 317.477 3.292 10 0 DGAERO Cc1cc(N[C@@H]2CCCN(c3cnn(C)c3)C2)c2ccccc2[nH+]1 ZINC000078368094 400793367 /nfs/dbraw/zinc/79/33/67/400793367.db2.gz OQFIHLNNIWYWJV-OAHLLOKOSA-N 1 0 321.428 3.358 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000078428359 400798984 /nfs/dbraw/zinc/79/89/84/400798984.db2.gz IVRBDDSVKABQJL-QGZVFWFLSA-N 1 0 302.462 3.308 10 0 DGAERO CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000178866012 400876554 /nfs/dbraw/zinc/87/65/54/400876554.db2.gz DNTCLKQAWURQHB-CYBMUJFWSA-N 1 0 308.491 3.391 10 0 DGAERO CC(C)[C@H](C)CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000172359755 400822712 /nfs/dbraw/zinc/82/27/12/400822712.db2.gz UAEKHPRVRPKCRE-CABCVRRESA-N 1 0 307.438 3.008 10 0 DGAERO O=C(N1CC[N@@H+]2CCC[C@H]2C1)C1(c2cccs2)CCCCC1 ZINC000172349709 400822925 /nfs/dbraw/zinc/82/29/25/400822925.db2.gz VCEUPBRFIXFRQU-HNNXBMFYSA-N 1 0 318.486 3.257 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC000173969795 400850620 /nfs/dbraw/zinc/85/06/20/400850620.db2.gz BVJYKVGPXMCYNV-CYBMUJFWSA-N 1 0 306.372 3.075 10 0 DGAERO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2C[C@H]2C)cc1 ZINC000605339643 400854111 /nfs/dbraw/zinc/85/41/11/400854111.db2.gz CHTSFTMDNHMGCD-HUUCEWRRSA-N 1 0 319.449 3.185 10 0 DGAERO C[NH2+]C1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 ZINC000217881991 400950659 /nfs/dbraw/zinc/95/06/59/400950659.db2.gz WOLGUFKJLVDOFU-UHFFFAOYSA-N 1 0 317.216 3.314 10 0 DGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)CC/C=C/c1ccccc1 ZINC000606372837 400904602 /nfs/dbraw/zinc/90/46/02/400904602.db2.gz DTSLJJQUEXSDPX-NORHQAJESA-N 1 0 300.446 3.471 10 0 DGAERO CC[C@@](C)(COc1ncccc1Cl)[NH2+]C[C@@H](C)COC ZINC000188159453 400907411 /nfs/dbraw/zinc/90/74/11/400907411.db2.gz JKQSVMRGQMTWON-DOMZBBRYSA-N 1 0 300.830 3.155 10 0 DGAERO Cc1ccc([C@H](C)C[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000606468206 400917940 /nfs/dbraw/zinc/91/79/40/400917940.db2.gz GBWKOIAEULKXEX-APWZRJJASA-N 1 0 308.425 3.494 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000606489120 400921257 /nfs/dbraw/zinc/92/12/57/400921257.db2.gz ZRIUIZJOMQEJQJ-IAGOWNOFSA-N 1 0 317.477 3.130 10 0 DGAERO [NH3+]C[C@H]1C[C@@H]1c1cc(Br)c(Br)s1 ZINC000227955301 400963616 /nfs/dbraw/zinc/96/36/16/400963616.db2.gz ZAEBCWYFRWWGED-UHNVWZDZSA-N 1 0 311.042 3.335 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621107336 401076454 /nfs/dbraw/zinc/07/64/54/401076454.db2.gz CCBLHBJZAZMYPI-CRAIPNDOSA-N 1 0 322.493 3.010 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000246194493 401021909 /nfs/dbraw/zinc/02/19/09/401021909.db2.gz JSKGNNSFNQHZHY-VKJFTORMSA-N 1 0 315.461 3.269 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000247030601 401042939 /nfs/dbraw/zinc/04/29/39/401042939.db2.gz PFIPTKYPEMBPAQ-SQNIBIBYSA-N 1 0 300.446 3.076 10 0 DGAERO C[C@H]1CN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000261401876 401112193 /nfs/dbraw/zinc/11/21/93/401112193.db2.gz SGGLCUIVKXUSOF-WMZOPIPTSA-N 1 0 310.441 3.103 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1C ZINC000262445082 401116749 /nfs/dbraw/zinc/11/67/49/401116749.db2.gz CHGMTTZDBSTCQY-MVJTYMMSSA-N 1 0 300.446 3.401 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2cccs2)C1 ZINC000262611440 401118093 /nfs/dbraw/zinc/11/80/93/401118093.db2.gz BGCWIUUCNQGYTB-ARFHVFGLSA-N 1 0 314.454 3.276 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000358223677 286002511 /nfs/dbraw/zinc/00/25/11/286002511.db2.gz LHFDGZFNKPWXIH-KRWDZBQOSA-N 1 0 318.461 3.014 10 0 DGAERO C[C@H]1CC[C@@H](O)CN1Cc1ccc(Br)c(F)c1F ZINC000625482110 401140123 /nfs/dbraw/zinc/14/01/23/401140123.db2.gz MVHHTWLXLAVUAB-WCBMZHEXSA-N 1 0 320.177 3.073 10 0 DGAERO CC1=CCN(CC[NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000358248388 286010459 /nfs/dbraw/zinc/01/04/59/286010459.db2.gz IRXZXZLDZJKFCG-AWEZNQCLSA-N 1 0 305.491 3.325 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633944420 401155547 /nfs/dbraw/zinc/15/55/47/401155547.db2.gz GORHDEWFEUKZGU-INIZCTEOSA-N 1 0 322.493 3.249 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)NCC[NH+]1CCCC1 ZINC000358256571 286012752 /nfs/dbraw/zinc/01/27/52/286012752.db2.gz UFKNEXPAEKQAQQ-KRWDZBQOSA-N 1 0 318.461 3.179 10 0 DGAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358301908 286025474 /nfs/dbraw/zinc/02/54/74/286025474.db2.gz PPRWXQUMEIRTTQ-INMHGKMJSA-N 1 0 323.431 3.460 10 0 DGAERO Cc1ncsc1C[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000608075298 401180317 /nfs/dbraw/zinc/18/03/17/401180317.db2.gz VBSIBPDVNUAWIB-HNNXBMFYSA-N 1 0 312.442 3.259 10 0 DGAERO CN1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000090251084 401264524 /nfs/dbraw/zinc/26/45/24/401264524.db2.gz LARLFNUHTXBVRM-LBPRGKRZSA-N 1 0 317.658 3.286 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000090250657 401264586 /nfs/dbraw/zinc/26/45/86/401264586.db2.gz OOCKDYXTIRCHQN-NWDGAFQWSA-N 1 0 318.642 3.496 10 0 DGAERO C[C@H]1CC[C@@H](NC(=O)Nc2cc(Cl)ccc2Cl)C[NH2+]1 ZINC000625826878 401228938 /nfs/dbraw/zinc/22/89/38/401228938.db2.gz OCXYEPMOVALMNZ-WCBMZHEXSA-N 1 0 302.205 3.255 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc(Br)cn1 ZINC000634686778 401335153 /nfs/dbraw/zinc/33/51/53/401335153.db2.gz RWZGWFGZEVZVJO-JQWIXIFHSA-N 1 0 313.239 3.310 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@@H](CC(C)C)CN(C)C)c2ccccc21 ZINC000621751593 401295194 /nfs/dbraw/zinc/29/51/94/401295194.db2.gz JMJJMXTVJBGZSM-WMZOPIPTSA-N 1 0 317.477 3.050 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCOc3ccccc32)n(CC2CCC2)n1 ZINC000631069188 401383368 /nfs/dbraw/zinc/38/33/68/401383368.db2.gz PNJWEDMLPIRSLL-MRXNPFEDSA-N 1 0 311.429 3.339 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634952261 401387523 /nfs/dbraw/zinc/38/75/23/401387523.db2.gz ULFUJALKGRXDEV-RBSFLKMASA-N 1 0 301.496 3.148 10 0 DGAERO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000634985742 401395784 /nfs/dbraw/zinc/39/57/84/401395784.db2.gz BQPFUOWJZXJYGX-ZDUSSCGKSA-N 1 0 322.257 3.050 10 0 DGAERO Brc1cccc([C@H]2CCCN2CC23CC(C2)C[NH2+]3)c1 ZINC000634991859 401397720 /nfs/dbraw/zinc/39/77/20/401397720.db2.gz UMNADYFXWZPPBR-DSSZZKGTSA-N 1 0 321.262 3.338 10 0 DGAERO Cc1cc(C[NH2+]CC2(CCOCc3ccccc3)CC2)on1 ZINC000631113747 401398990 /nfs/dbraw/zinc/39/89/90/401398990.db2.gz LALICPSPMLOJRP-UHFFFAOYSA-N 1 0 300.402 3.460 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2oc3ccccc3c2Cl)C1 ZINC000631124651 401402166 /nfs/dbraw/zinc/40/21/66/401402166.db2.gz OLCKLLSDHKXJDP-ZDUSSCGKSA-N 1 0 320.820 3.434 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)n(CC2CCC2)n1 ZINC000631127448 401403531 /nfs/dbraw/zinc/40/35/31/401403531.db2.gz GCDJEIXURDQQCC-QGZVFWFLSA-N 1 0 303.450 3.122 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[C@H](O)C(F)F ZINC000631216998 401428832 /nfs/dbraw/zinc/42/88/32/401428832.db2.gz TVQFPZCGKDFWHB-CUZBXDDWSA-N 1 0 321.314 3.297 10 0 DGAERO c1nc(C2CC2)c(C[NH2+]Cc2cccc3c2CCOC3)s1 ZINC000631244199 401435535 /nfs/dbraw/zinc/43/55/35/401435535.db2.gz NTKLRCGAFKFKIX-UHFFFAOYSA-N 1 0 300.427 3.383 10 0 DGAERO c1cn(-c2ccccc2)c(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)n1 ZINC000631255005 401439255 /nfs/dbraw/zinc/43/92/55/401439255.db2.gz OODHLFJUYUJBSC-PKOBYXMFSA-N 1 0 311.429 3.310 10 0 DGAERO c1cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)n(CC2CCC2)n1 ZINC000631256973 401440056 /nfs/dbraw/zinc/44/00/56/401440056.db2.gz YKJGKCNMNIQFEH-MSOLQXFVSA-N 1 0 303.450 3.121 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)CC[C@H](C)SC)CC1 ZINC000358428285 286059647 /nfs/dbraw/zinc/05/96/47/286059647.db2.gz OOAGYDFWCFXEAS-AWEZNQCLSA-N 1 0 300.512 3.099 10 0 DGAERO c1coc(-c2ncc(C[NH2+][C@H]3CCCn4nccc43)s2)c1 ZINC000631302241 401448211 /nfs/dbraw/zinc/44/82/11/401448211.db2.gz XJIDSHUYDKZFTN-LBPRGKRZSA-N 1 0 300.387 3.224 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358447165 286065555 /nfs/dbraw/zinc/06/55/55/286065555.db2.gz YYDZNYOBDRSFEO-UHFFFAOYSA-N 1 0 317.433 3.167 10 0 DGAERO O[C@@H](CC[NH2+][C@H]1CCc2cc(Br)ccc21)C(F)F ZINC000631698275 401539033 /nfs/dbraw/zinc/53/90/33/401539033.db2.gz UPVUDQIJYNVLHN-RYUDHWBXSA-N 1 0 320.177 3.042 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc(Br)c1 ZINC000631694617 401537489 /nfs/dbraw/zinc/53/74/89/401537489.db2.gz CSTNVJRJIXWHMH-LDYMZIIASA-N 1 0 308.166 3.116 10 0 DGAERO C[N@@H+]1CCCC[C@@H](CNCc2ccsc2Br)C1 ZINC000623657168 401563230 /nfs/dbraw/zinc/56/32/30/401563230.db2.gz KSWSSSJCIAKNFV-NSHDSACASA-N 1 0 317.296 3.332 10 0 DGAERO Brc1ccccc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886600 401564168 /nfs/dbraw/zinc/56/41/68/401564168.db2.gz KUBZLAJQYOYJQG-IUODEOHRSA-N 1 0 309.251 3.023 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccsc1Br ZINC000623724547 401571963 /nfs/dbraw/zinc/57/19/63/401571963.db2.gz JITPIDJZHAHQOA-WYOJIJJFSA-N 1 0 304.253 3.412 10 0 DGAERO CO[C@@](C)(C[NH2+]C[C@@]1(C)CCCS1)COCc1ccccc1 ZINC000628337951 401578225 /nfs/dbraw/zinc/57/82/25/401578225.db2.gz VQFJWRCYRKZPFH-ZWKOTPCHSA-N 1 0 323.502 3.484 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000623823871 401583565 /nfs/dbraw/zinc/58/35/65/401583565.db2.gz NQAYXSWFMIOKFL-YSHGAJCASA-N 1 0 302.462 3.054 10 0 DGAERO c1nnn(-c2ccccc2)c1CN[C@@H](c1ccccn1)C1CCC1 ZINC000623638418 401560007 /nfs/dbraw/zinc/56/00/07/401560007.db2.gz FBRMORJJEOAUMF-LJQANCHMSA-N 1 0 319.412 3.293 10 0 DGAERO C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000632890033 401635362 /nfs/dbraw/zinc/63/53/62/401635362.db2.gz CAHJCZVVTBDJMZ-IUCAKERBSA-N 1 0 302.205 3.052 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000624312388 401649485 /nfs/dbraw/zinc/64/94/85/401649485.db2.gz QJVGDCLFLCXWGW-CORIIIEPSA-N 1 0 312.251 3.395 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CC1CCOCC1 ZINC000358747882 286140638 /nfs/dbraw/zinc/14/06/38/286140638.db2.gz ICORGLNDSQWSPZ-GOSISDBHSA-N 1 0 311.429 3.266 10 0 DGAERO c1cnn(CCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000358942198 286193619 /nfs/dbraw/zinc/19/36/19/286193619.db2.gz MXJSLXUYZJRCGK-GOSISDBHSA-N 1 0 321.428 3.126 10 0 DGAERO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCOCc1ccc(Cl)cc1 ZINC000358959293 286198538 /nfs/dbraw/zinc/19/85/38/286198538.db2.gz AGVZJSBLSHDFHW-INIZCTEOSA-N 1 0 319.836 3.257 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000359049280 286224219 /nfs/dbraw/zinc/22/42/19/286224219.db2.gz DFFIDDVTOVXPQX-CHWSQXEVSA-N 1 0 323.506 3.492 10 0 DGAERO CC1(C)CCC(C[NH2+]Cc2cccc(N3CCOCC3)n2)CC1 ZINC000359156378 286250126 /nfs/dbraw/zinc/25/01/26/286250126.db2.gz RSMOYJIMGSEFBO-UHFFFAOYSA-N 1 0 317.477 3.224 10 0 DGAERO O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)C(F)F ZINC000359326221 286284757 /nfs/dbraw/zinc/28/47/57/286284757.db2.gz USIMXFUQOIEHAP-VXGBXAGGSA-N 1 0 320.177 3.116 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](OC)c1ccc(Cl)cc1 ZINC000359353491 286291197 /nfs/dbraw/zinc/29/11/97/286291197.db2.gz WRYHVWBRXDUNOI-HZPDHXFCSA-N 1 0 324.852 3.018 10 0 DGAERO CC(=O)c1ccc(NC(=O)CN2CC[C@@]3(CC[C@@H](C)C3)C2)cc1 ZINC000359568845 286338112 /nfs/dbraw/zinc/33/81/12/286338112.db2.gz YFCSWCQQEWBJNX-AUUYWEPGSA-N 1 0 314.429 3.340 10 0 DGAERO c1ccc2c(c1)CC[C@H](C[NH+]1CCC(O[C@H]3CCOC3)CC1)C2 ZINC000359614451 286347188 /nfs/dbraw/zinc/34/71/88/286347188.db2.gz YZJNLFOOLHHRDU-JXFKEZNVSA-N 1 0 315.457 3.061 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000359685361 286360682 /nfs/dbraw/zinc/36/06/82/286360682.db2.gz KUGMCVVLCWANOZ-QGZVFWFLSA-N 1 0 322.452 3.208 10 0 DGAERO CCC1(C[NH2+]Cc2ncc(Br)s2)CCOCC1 ZINC000359944654 286393958 /nfs/dbraw/zinc/39/39/58/286393958.db2.gz AJPCVSROZOLGOE-UHFFFAOYSA-N 1 0 319.268 3.202 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2c(C)nn(C)c2C)C12CCCC2 ZINC000181819457 286395290 /nfs/dbraw/zinc/39/52/90/286395290.db2.gz TYRYNROXWKKORT-DOPJRALCSA-N 1 0 319.493 3.295 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCSCC)C12CCOCC2 ZINC000249021733 286401690 /nfs/dbraw/zinc/40/16/90/286401690.db2.gz QTOKETSECINHJJ-QLFBSQMISA-N 1 0 301.496 3.082 10 0 DGAERO COc1ccc(C)cc1C1(C[NH2+][C@H](C)[C@@H](C)OC)CCOCC1 ZINC000360583443 286504038 /nfs/dbraw/zinc/50/40/38/286504038.db2.gz SAPMTMWDWKLYBE-HZPDHXFCSA-N 1 0 321.461 3.065 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]3CCOC3)C1)O2 ZINC000360964711 286563961 /nfs/dbraw/zinc/56/39/61/286563961.db2.gz XBTAKWUWJOQRME-VQHPVUNQSA-N 1 0 317.429 3.011 10 0 DGAERO C[NH+]1CCC(CC(=O)Nc2ccnc(-c3ccccc3)c2)CC1 ZINC000362782114 286861036 /nfs/dbraw/zinc/86/10/36/286861036.db2.gz PRVVIWUNQYUZGT-UHFFFAOYSA-N 1 0 309.413 3.419 10 0 DGAERO Cn1c(Cl)cnc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000362960870 286881809 /nfs/dbraw/zinc/88/18/09/286881809.db2.gz BMLBJVFCCRUDJJ-OAHLLOKOSA-N 1 0 324.900 3.162 10 0 DGAERO CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)c1ccccc1 ZINC000261641642 286892260 /nfs/dbraw/zinc/89/22/60/286892260.db2.gz CRFYRGWGQAOWBA-DJIMGWMZSA-N 1 0 302.462 3.234 10 0 DGAERO C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CSCCS1 ZINC000364379276 287019901 /nfs/dbraw/zinc/01/99/01/287019901.db2.gz BBSARTOGVCZHLY-KBUPBQIOSA-N 1 0 301.521 3.020 10 0 DGAERO c1ccc(NCCCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)nc1 ZINC000364385820 287020738 /nfs/dbraw/zinc/02/07/38/287020738.db2.gz LWZWXQYTNRAPHO-FGTMMUONSA-N 1 0 317.477 3.459 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)c1ccco1 ZINC000246465321 287032412 /nfs/dbraw/zinc/03/24/12/287032412.db2.gz QCHMGJLEWDFANI-KFWWJZLASA-N 1 0 320.458 3.454 10 0 DGAERO C[C@@H](CCc1ccccc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000170940726 164618061 /nfs/dbraw/zinc/61/80/61/164618061.db2.gz RBWPFSMUDFXQCN-INIZCTEOSA-N 1 0 310.445 3.374 10 0 DGAERO O[C@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)CC(F)(F)F ZINC000364913161 287074950 /nfs/dbraw/zinc/07/49/50/287074950.db2.gz FANAJPZEIWWBKP-LSDHHAIUSA-N 1 0 317.351 3.057 10 0 DGAERO C[C@@H](O)CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000085983606 287079441 /nfs/dbraw/zinc/07/94/41/287079441.db2.gz MWWFARLTLZHGOJ-ZWNOBZJWSA-N 1 0 314.223 3.023 10 0 DGAERO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])c(C)n1[C@H](C)c1ccccc1 ZINC000178652369 164844806 /nfs/dbraw/zinc/84/48/06/164844806.db2.gz UZHWLAOXSVMWFZ-UKRRQHHQSA-N 1 0 313.445 3.181 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@H](SCc2ccccc2)C(C)C)CC1 ZINC000179139011 164853555 /nfs/dbraw/zinc/85/35/55/164853555.db2.gz SGAZBOPWEIWSET-QGZVFWFLSA-N 1 0 320.502 3.155 10 0 DGAERO C[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CCOCC1 ZINC000179995401 164871992 /nfs/dbraw/zinc/87/19/92/164871992.db2.gz AVKRHFQKDFFDCT-DYVFJYSZSA-N 1 0 308.853 3.101 10 0 DGAERO COCc1ccsc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000180865215 164896859 /nfs/dbraw/zinc/89/68/59/164896859.db2.gz VZZYWNFKZPTTIV-CXAGYDPISA-N 1 0 324.490 3.135 10 0 DGAERO CCO[C@@H](C)c1nc(CN(C)[C@H](CO)CC(C)C)cs1 ZINC000185362771 165002051 /nfs/dbraw/zinc/00/20/51/165002051.db2.gz VQQODFHSMDKBSR-JSGCOSHPSA-N 1 0 300.468 3.079 10 0 DGAERO C=Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000185446757 165004748 /nfs/dbraw/zinc/00/47/48/165004748.db2.gz BDYGTBIWMPSPTN-UHFFFAOYSA-N 1 0 312.388 3.460 10 0 DGAERO FC(F)(F)C1CCC(C[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000185509911 165006805 /nfs/dbraw/zinc/00/68/05/165006805.db2.gz OYIRMWYYQGASLG-JXQTWKCFSA-N 1 0 316.371 3.284 10 0 DGAERO C[NH+](C)CCSCc1nc2cc(Br)ccc2[nH]1 ZINC000185564339 165008192 /nfs/dbraw/zinc/00/81/92/165008192.db2.gz XCHPIJQXRDTCIG-UHFFFAOYSA-N 1 0 314.252 3.120 10 0 DGAERO Cc1ccccc1NC(=O)CC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185596192 165009937 /nfs/dbraw/zinc/00/99/37/165009937.db2.gz HKVCFTCOIVGYSB-NVXWUHKLSA-N 1 0 324.424 3.478 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ncc(C(C)C)s2)C12CCOCC2 ZINC000185657113 165012453 /nfs/dbraw/zinc/01/24/53/165012453.db2.gz FXNAEBIWMONRHM-HUUCEWRRSA-N 1 0 324.490 3.330 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000185825090 165017824 /nfs/dbraw/zinc/01/78/24/165017824.db2.gz MWOQYAXKOBKCBX-ZWKOTPCHSA-N 1 0 302.462 3.435 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000185825049 165017834 /nfs/dbraw/zinc/01/78/34/165017834.db2.gz MWOQYAXKOBKCBX-ROUUACIJSA-N 1 0 302.462 3.435 10 0 DGAERO CC[NH+](CC)CCSc1ncnc2cc(F)c(OC)cc21 ZINC000185917017 165021284 /nfs/dbraw/zinc/02/12/84/165021284.db2.gz AVAGHYMJAAEUGI-UHFFFAOYSA-N 1 0 309.410 3.211 10 0 DGAERO Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)nn1-c1cccc(F)c1 ZINC000186489998 165046795 /nfs/dbraw/zinc/04/67/95/165046795.db2.gz ITMWVHVXUOVPND-UHFFFAOYSA-N 1 0 324.359 3.031 10 0 DGAERO C[C@H](CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1ccccc1F ZINC000186491927 165047194 /nfs/dbraw/zinc/04/71/94/165047194.db2.gz PJPUZUZVFNZTSN-ZIAGYGMSSA-N 1 0 304.409 3.062 10 0 DGAERO C[C@H](CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1ccccc1F ZINC000186491896 165047390 /nfs/dbraw/zinc/04/73/90/165047390.db2.gz PJPUZUZVFNZTSN-KGLIPLIRSA-N 1 0 304.409 3.062 10 0 DGAERO O=C(Cc1ccc2ccccc2c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186542422 165048391 /nfs/dbraw/zinc/04/83/91/165048391.db2.gz UVXCLGKFNHBWKF-SFHVURJKSA-N 1 0 308.425 3.125 10 0 DGAERO O=C(c1ccc(Cl)c(Cl)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186551661 165050676 /nfs/dbraw/zinc/05/06/76/165050676.db2.gz PSYUZCUSAWFCMD-LLVKDONJSA-N 1 0 313.228 3.350 10 0 DGAERO CN(CC[N@H+](C)C1CC1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000186774229 165059395 /nfs/dbraw/zinc/05/93/95/165059395.db2.gz LJXFEPCQCZLTSO-MRXNPFEDSA-N 1 0 300.446 3.049 10 0 DGAERO O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCCC2(CC2)C1 ZINC000186979293 165069314 /nfs/dbraw/zinc/06/93/14/165069314.db2.gz WTKYBTWNHNABKA-MRXNPFEDSA-N 1 0 309.837 3.094 10 0 DGAERO CCCc1cccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000187217803 165081053 /nfs/dbraw/zinc/08/10/53/165081053.db2.gz MPSGCPOYLCBMHE-GOSISDBHSA-N 1 0 310.445 3.188 10 0 DGAERO Cc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C)n1 ZINC000187249820 165082921 /nfs/dbraw/zinc/08/29/21/165082921.db2.gz KUWYBJISIFRFFN-CRAIPNDOSA-N 1 0 311.429 3.120 10 0 DGAERO CCCc1cccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)c1 ZINC000187358332 165086598 /nfs/dbraw/zinc/08/65/98/165086598.db2.gz SGNNADVDQSACQN-LJQANCHMSA-N 1 0 323.440 3.319 10 0 DGAERO COc1ccccc1COC1CC[NH+](C[C@](C)(O)C(C)C)CC1 ZINC000187394933 165089117 /nfs/dbraw/zinc/08/91/17/165089117.db2.gz DOGQYULKHLVTAL-IBGZPJMESA-N 1 0 321.461 3.083 10 0 DGAERO C[C@H](C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000187434290 165090306 /nfs/dbraw/zinc/09/03/06/165090306.db2.gz FKAJHVDKFLWSOJ-VKJFTORMSA-N 1 0 322.880 3.096 10 0 DGAERO Cc1nc(CC2CC2)sc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000188162589 165114532 /nfs/dbraw/zinc/11/45/32/165114532.db2.gz JNPJRLXSJIJYMS-GFCCVEGCSA-N 1 0 323.506 3.110 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1cccc(F)c1)CC2 ZINC000188183512 165115479 /nfs/dbraw/zinc/11/54/79/165115479.db2.gz OWUSZDNGFYROOO-CABCVRRESA-N 1 0 302.397 3.035 10 0 DGAERO O=C(c1ccccc1Cc1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000188654118 165131928 /nfs/dbraw/zinc/13/19/28/165131928.db2.gz ATYGPJCCMTULJS-UHFFFAOYSA-N 1 0 320.436 3.198 10 0 DGAERO Cc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c(Cl)cc1F ZINC000188693889 165132072 /nfs/dbraw/zinc/13/20/72/165132072.db2.gz UNSRYJRHHFKESJ-UHFFFAOYSA-N 1 0 318.779 3.321 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(-c2ccccc2)[nH]1 ZINC000188728567 165134622 /nfs/dbraw/zinc/13/46/22/165134622.db2.gz LCEMYIYZPGIQHF-UHFFFAOYSA-N 1 0 317.392 3.215 10 0 DGAERO CCOC(=O)N1CCC([NH2+][C@H]2CCOc3c(C)cccc32)CC1 ZINC000188946991 165142789 /nfs/dbraw/zinc/14/27/89/165142789.db2.gz MOKVFETYYFEZCO-INIZCTEOSA-N 1 0 318.417 3.029 10 0 DGAERO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189058489 165149021 /nfs/dbraw/zinc/14/90/21/165149021.db2.gz IBWXNKVLQNJSTN-RHSMWYFYSA-N 1 0 306.425 3.341 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[C@H](Cc3ccccc3)C1)CC2 ZINC000189166395 165152212 /nfs/dbraw/zinc/15/22/12/165152212.db2.gz QKLJJJBLLYDPMQ-FGTMMUONSA-N 1 0 324.472 3.156 10 0 DGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2C(C)C)C1 ZINC000189367345 165158425 /nfs/dbraw/zinc/15/84/25/165158425.db2.gz LXPPJGFOVWGVRE-CQSZACIVSA-N 1 0 320.481 3.164 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC000189716188 165174529 /nfs/dbraw/zinc/17/45/29/165174529.db2.gz NWNIZUHVFDZOFZ-NSHDSACASA-N 1 0 318.314 3.059 10 0 DGAERO CCc1nnc(C2CC[NH+](CCCc3cccc(F)c3)CC2)[nH]1 ZINC000190680057 165210438 /nfs/dbraw/zinc/21/04/38/165210438.db2.gz RUVSQTZRGIOWMI-UHFFFAOYSA-N 1 0 316.424 3.318 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@H+]1C[C@H](O)C1CCCCC1)c1ccco1 ZINC000190693567 165212618 /nfs/dbraw/zinc/21/26/18/165212618.db2.gz GLTMPHPGQXUESE-BBWFWOEESA-N 1 0 307.434 3.109 10 0 DGAERO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000190693484 165213421 /nfs/dbraw/zinc/21/34/21/165213421.db2.gz AMUZZZOOAZXBIK-ZACQAIPSSA-N 1 0 307.434 3.109 10 0 DGAERO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)C1CCCCC1 ZINC000191036463 165226281 /nfs/dbraw/zinc/22/62/81/165226281.db2.gz MOOANBWDGJOUPC-APWZRJJASA-N 1 0 305.462 3.201 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000191058482 165229155 /nfs/dbraw/zinc/22/91/55/165229155.db2.gz HJCRLCBDUSMXKZ-HNAYVOBHSA-N 1 0 313.445 3.464 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@H](C)c3ccccc3)[C@H]2C1 ZINC000191094222 165231122 /nfs/dbraw/zinc/23/11/22/165231122.db2.gz MPLXAGKYNBWUJC-NQYYFHDYSA-N 1 0 303.446 3.449 10 0 DGAERO COc1cc(C)c(C[N@H+](C)C[C@H](O)CC2CCCC2)cc1OC ZINC000191235557 165237237 /nfs/dbraw/zinc/23/72/37/165237237.db2.gz JDWXPXMYFJMBCQ-QGZVFWFLSA-N 1 0 321.461 3.385 10 0 DGAERO c1cn(-c2ccccc2)c(CN2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000191228997 165237476 /nfs/dbraw/zinc/23/74/76/165237476.db2.gz DXJOPHVCTZBVJM-UHFFFAOYSA-N 1 0 324.472 3.180 10 0 DGAERO CCN(C)c1ccc(CNc2cccc(N(C)C(C)=O)c2)cn1 ZINC000191259718 165239747 /nfs/dbraw/zinc/23/97/47/165239747.db2.gz QIWXSWJMWOMIJL-UHFFFAOYSA-N 1 0 312.417 3.133 10 0 DGAERO c1cn(-c2ccccc2)c(CN2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000191299371 165242464 /nfs/dbraw/zinc/24/24/64/165242464.db2.gz BJUXKJLHLBMEPO-IBGZPJMESA-N 1 0 324.472 3.323 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000191582367 165259334 /nfs/dbraw/zinc/25/93/34/165259334.db2.gz UJIWSIAZMXERGV-GOSISDBHSA-N 1 0 315.461 3.190 10 0 DGAERO Fc1ccc(F)c([C@@H]2CCC[N@H+](CCCn3ccnc3)C2)c1 ZINC000191684987 165265390 /nfs/dbraw/zinc/26/53/90/165265390.db2.gz DPBQRDOGYONPRJ-CQSZACIVSA-N 1 0 305.372 3.431 10 0 DGAERO Cc1csc(C2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)n1 ZINC000191978068 165276711 /nfs/dbraw/zinc/27/67/11/165276711.db2.gz YRHYZLHQHXSLJQ-CQSZACIVSA-N 1 0 320.458 3.117 10 0 DGAERO Cc1coc(-c2cccc(NC(=O)[C@](C)([NH3+])c3ccccc3)c2)n1 ZINC000192499592 165294189 /nfs/dbraw/zinc/29/41/89/165294189.db2.gz CDVABSKEYRUWMC-LJQANCHMSA-N 1 0 321.380 3.463 10 0 DGAERO Cc1c[nH+]ccc1N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000192582543 165296994 /nfs/dbraw/zinc/29/69/94/165296994.db2.gz BNXKBQYSBUQKKI-UHFFFAOYSA-N 1 0 301.434 3.055 10 0 DGAERO Clc1ccsc1C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000193000646 165314879 /nfs/dbraw/zinc/31/48/79/165314879.db2.gz RARQCJPPKYVBKB-UHFFFAOYSA-N 1 0 304.806 3.272 10 0 DGAERO CC(C)C[C@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000193124080 165318848 /nfs/dbraw/zinc/31/88/48/165318848.db2.gz UHKVNDSNDHKFBB-NJAFHUGGSA-N 1 0 318.461 3.047 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)s1 ZINC000194338661 165342952 /nfs/dbraw/zinc/34/29/52/165342952.db2.gz FXUJNFWHDPCIHL-ZDUSSCGKSA-N 1 0 316.474 3.420 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccccc1 ZINC000194516821 165349018 /nfs/dbraw/zinc/34/90/18/165349018.db2.gz YDXRPQCNMLQLQU-CABCVRRESA-N 1 0 323.440 3.310 10 0 DGAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1cccc(F)c1 ZINC000194517352 165349131 /nfs/dbraw/zinc/34/91/31/165349131.db2.gz RQYBGNLSKICBOM-GFCCVEGCSA-N 1 0 313.376 3.210 10 0 DGAERO C[C@H](CC1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000194611837 165350985 /nfs/dbraw/zinc/35/09/85/165350985.db2.gz LXRRONPPPSJHEZ-NVXWUHKLSA-N 1 0 305.466 3.001 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000194737062 165354327 /nfs/dbraw/zinc/35/43/27/165354327.db2.gz RNNGPZMWZWFSBB-INIZCTEOSA-N 1 0 310.397 3.303 10 0 DGAERO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000194766140 165355623 /nfs/dbraw/zinc/35/56/23/165355623.db2.gz MBWIVTXUBHCOIF-LJQANCHMSA-N 1 0 314.473 3.200 10 0 DGAERO C[C@]1([NH2+]Cc2ccc(Br)c(F)c2)CCCOC1 ZINC000221368650 165380453 /nfs/dbraw/zinc/38/04/53/165380453.db2.gz XVSFWWMSTMFTQY-ZDUSSCGKSA-N 1 0 302.187 3.247 10 0 DGAERO O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194896893 165358395 /nfs/dbraw/zinc/35/83/95/165358395.db2.gz BXGWFVQTVTXTTP-IRXDYDNUSA-N 1 0 318.848 3.140 10 0 DGAERO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195324238 165365771 /nfs/dbraw/zinc/36/57/71/165365771.db2.gz PJRBIHAVECFYAI-KBPBESRZSA-N 1 0 323.506 3.324 10 0 DGAERO O[C@@H](C[N@@H+]1CCC[C@H](c2nccs2)C1)c1ccc(F)cc1 ZINC000195344771 165366800 /nfs/dbraw/zinc/36/68/00/165366800.db2.gz DBVPUJQSAAENMU-ZFWWWQNUSA-N 1 0 306.406 3.195 10 0 DGAERO Cc1ccc(-c2cc(CN3CCC[N@@H+](C4CC4)CC3)on2)cc1 ZINC000195338842 165367952 /nfs/dbraw/zinc/36/79/52/165367952.db2.gz CHYFRWPHRZPYQL-UHFFFAOYSA-N 1 0 311.429 3.320 10 0 DGAERO O[C@H](Cc1ccccc1)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195361185 165368029 /nfs/dbraw/zinc/36/80/29/165368029.db2.gz XUQMEFDBQDTTIQ-HZPDHXFCSA-N 1 0 302.443 3.274 10 0 DGAERO CCCCCNC(=O)CN1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195442910 165370801 /nfs/dbraw/zinc/37/08/01/165370801.db2.gz LUTRFAABODAZCU-CQSZACIVSA-N 1 0 323.506 3.191 10 0 DGAERO C[C@@H]1CN(Cc2cc(Br)c(Cl)s2)[C@@H](C)C[NH2+]1 ZINC000227909342 165389219 /nfs/dbraw/zinc/38/92/19/165389219.db2.gz IYYMHKMNDYAPAM-SFYZADRCSA-N 1 0 323.687 3.346 10 0 DGAERO Cc1ccc(CN2CCC[C@@H](C)[C@H]2C[NH3+])cc1Br ZINC000229035375 165390276 /nfs/dbraw/zinc/39/02/76/165390276.db2.gz FRNGSRZWNFUJIR-IUODEOHRSA-N 1 0 311.267 3.317 10 0 DGAERO Cc1ccc(CN2CCCC[C@H]2[C@H](C)[NH3+])cc1Br ZINC000228902324 165390911 /nfs/dbraw/zinc/39/09/11/165390911.db2.gz FKWVMGCKWLCKIV-WFASDCNBSA-N 1 0 311.267 3.459 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247107266 165564151 /nfs/dbraw/zinc/56/41/51/165564151.db2.gz OXZNMHOKLOLAIH-XYJFISCASA-N 1 0 315.461 3.182 10 0 DGAERO CSC[C@](C)(O)C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000248170570 165611360 /nfs/dbraw/zinc/61/13/60/165611360.db2.gz URJSNYNCAIGLEV-XHBSWPGZSA-N 1 0 324.515 3.492 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccccc1OC(F)F ZINC000252730750 165702448 /nfs/dbraw/zinc/70/24/48/165702448.db2.gz MSIPCNZNMKYNTL-MKXJDEKUSA-N 1 0 305.390 3.096 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000261634635 165725807 /nfs/dbraw/zinc/72/58/07/165725807.db2.gz ICWYFTRCXYISHH-WTIISPKJSA-N 1 0 306.372 3.131 10 0 DGAERO Fc1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c(Cl)c1 ZINC000261796929 165749801 /nfs/dbraw/zinc/74/98/01/165749801.db2.gz QNHSNEIEIROXNL-MRXNPFEDSA-N 1 0 305.784 3.021 10 0 DGAERO Cc1ccc([C@@H]2CCCN2C(=O)CC[C@@H]2CC[NH2+]C2)cc1C ZINC000261869245 165757878 /nfs/dbraw/zinc/75/78/78/165757878.db2.gz QJTCYNSSCOMPRM-AEFFLSMTSA-N 1 0 300.446 3.357 10 0 DGAERO C[NH2+][C@H](C)Cc1noc(-c2sccc2SC(F)F)n1 ZINC000261897765 165761206 /nfs/dbraw/zinc/76/12/06/165761206.db2.gz YEIOAGLSVFBOJO-ZCFIWIBFSA-N 1 0 305.375 3.263 10 0 DGAERO CCSCc1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261945640 165767221 /nfs/dbraw/zinc/76/72/21/165767221.db2.gz JSADEPLKJLDZLK-OAHLLOKOSA-N 1 0 306.475 3.139 10 0 DGAERO C[C@@H](c1cccc(Br)c1)N1CC[NH+](C2CC2)CC1 ZINC000123112551 287141733 /nfs/dbraw/zinc/14/17/33/287141733.db2.gz TVRHXZSBEDSIPA-LBPRGKRZSA-N 1 0 309.251 3.290 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262449593 165803374 /nfs/dbraw/zinc/80/33/74/165803374.db2.gz FFYHEJKNKYYLKI-IQRFUGTFSA-N 1 0 312.457 3.312 10 0 DGAERO CC(C)c1cnc(-c2ccc(NC(=O)[C@H](C)C3C[NH2+]C3)cc2)o1 ZINC000262529252 165807546 /nfs/dbraw/zinc/80/75/46/165807546.db2.gz LVEVKKZTAMBDMV-GFCCVEGCSA-N 1 0 313.401 3.259 10 0 DGAERO CC1(C)CN(C(=O)Nc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000262581319 165811913 /nfs/dbraw/zinc/81/19/13/165811913.db2.gz YZJZTWZIIYGLDH-GFCCVEGCSA-N 1 0 315.339 3.297 10 0 DGAERO Cc1csc([C@@H]2CCCCN2C(=O)CCC2CC[NH2+]CC2)n1 ZINC000263174517 165841344 /nfs/dbraw/zinc/84/13/44/165841344.db2.gz GBNCJUPXLCJDAN-HNNXBMFYSA-N 1 0 321.490 3.285 10 0 DGAERO C[C@@H](c1csnn1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000450351256 287159464 /nfs/dbraw/zinc/15/94/64/287159464.db2.gz UKXZARLDZHXLGN-LSDHHAIUSA-N 1 0 308.495 3.187 10 0 DGAERO COc1cc(C)cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000365838472 287178653 /nfs/dbraw/zinc/17/86/53/287178653.db2.gz OKRQZOARDKCNNO-OAHLLOKOSA-N 1 0 317.433 3.014 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1(c2ccccc2)CCC1 ZINC000128930996 196005589 /nfs/dbraw/zinc/00/55/89/196005589.db2.gz CYHAUBHQWNSMDQ-QGZVFWFLSA-N 1 0 302.462 3.201 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000129031479 196012807 /nfs/dbraw/zinc/01/28/07/196012807.db2.gz CFKAFTLDTGRSLT-RYUDHWBXSA-N 1 0 313.392 3.055 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1C ZINC000246828273 287229102 /nfs/dbraw/zinc/22/91/02/287229102.db2.gz AHPQRWIAPFIFCP-CABCVRRESA-N 1 0 306.837 3.347 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)c1cccc(F)c1F ZINC000129031886 196012974 /nfs/dbraw/zinc/01/29/74/196012974.db2.gz CFKAFTLDTGRSLT-NWDGAFQWSA-N 1 0 313.392 3.055 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000171616528 432152990 /nfs/dbraw/zinc/15/29/90/432152990.db2.gz LEMVVCACGWFJNN-SFHVURJKSA-N 1 0 324.424 3.123 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000136244900 432150588 /nfs/dbraw/zinc/15/05/88/432150588.db2.gz AHAWLHBHORKTQG-TVQRCGJNSA-N 1 0 318.642 3.353 10 0 DGAERO Cc1oc2nc(C[N@H+]3CC[C@@H](C)C[C@@H](C)C3)nc(N)c2c1C ZINC000246635467 432150762 /nfs/dbraw/zinc/15/07/62/432150762.db2.gz JHMKRTPAPIVDIO-GHMZBOCLSA-N 1 0 302.422 3.290 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000181930402 432151029 /nfs/dbraw/zinc/15/10/29/432151029.db2.gz XQUCIECPNLOLQH-QGZVFWFLSA-N 1 0 317.408 3.222 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000182077025 432156561 /nfs/dbraw/zinc/15/65/61/432156561.db2.gz UYPOURQMNLZJBJ-QZTJIDSGSA-N 1 0 310.445 3.135 10 0 DGAERO CCc1noc(C)c1NC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246720281 432157632 /nfs/dbraw/zinc/15/76/32/432157632.db2.gz NPWLGAFUKBTDAW-JHJVBQTASA-N 1 0 322.453 3.033 10 0 DGAERO Cc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)s1 ZINC000182096013 432158440 /nfs/dbraw/zinc/15/84/40/432158440.db2.gz RNZUEROQVLNUNH-AWEZNQCLSA-N 1 0 316.470 3.236 10 0 DGAERO CC1(C)Cc2cccc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)c2O1 ZINC000246839458 432171309 /nfs/dbraw/zinc/17/13/09/432171309.db2.gz RWCQZOKKVLHRSV-HZPDHXFCSA-N 1 0 319.470 3.106 10 0 DGAERO CCC[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190569634 432171839 /nfs/dbraw/zinc/17/18/39/432171839.db2.gz DNRDXTBBJHZWHD-UKRRQHHQSA-N 1 0 323.506 3.168 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1(Cc2ccccc2)CC1 ZINC000137110914 432171945 /nfs/dbraw/zinc/17/19/45/432171945.db2.gz SLMFJCJDQATMJX-QGZVFWFLSA-N 1 0 302.462 3.102 10 0 DGAERO O=C(Cc1ccccc1)NCc1ccnc(N2CCCCCC2)c1 ZINC000171728570 432165335 /nfs/dbraw/zinc/16/53/35/432165335.db2.gz PLJWXKTUOKIFIX-UHFFFAOYSA-N 1 0 323.440 3.321 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)sc1Cl ZINC000246822096 432168021 /nfs/dbraw/zinc/16/80/21/432168021.db2.gz CMOPYAOHZZPFEV-IUCAKERBSA-N 1 0 319.257 3.364 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)sc1Cl ZINC000246822067 432168113 /nfs/dbraw/zinc/16/81/13/432168113.db2.gz CMOPYAOHZZPFEV-BDAKNGLRSA-N 1 0 319.257 3.364 10 0 DGAERO Cc1ccccc1C(C)(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246816440 432168349 /nfs/dbraw/zinc/16/83/49/432168349.db2.gz DJXSIAOLGSTYFI-WBVHZDCISA-N 1 0 302.462 3.118 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000246834009 432169861 /nfs/dbraw/zinc/16/98/61/432169861.db2.gz CONPCYWDFMSLIP-OAGGEKHMSA-N 1 0 319.449 3.247 10 0 DGAERO O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000171775852 432170057 /nfs/dbraw/zinc/17/00/57/432170057.db2.gz CJEBKQGZBRILOR-UHFFFAOYSA-N 1 0 323.440 3.382 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)cc1Cl ZINC000246877179 432176591 /nfs/dbraw/zinc/17/65/91/432176591.db2.gz CMMXHUAWTRXPDF-PWSUYJOCSA-N 1 0 311.788 3.180 10 0 DGAERO CC[C@@H]([NH2+]Cc1nc(-c2cccc(C)c2)no1)[C@@H]1CCCO1 ZINC000182309272 432177144 /nfs/dbraw/zinc/17/71/44/432177144.db2.gz ZWPCWVZMSYQFJZ-CABCVRRESA-N 1 0 301.390 3.092 10 0 DGAERO COCCOc1ccc([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)cc1 ZINC000246899726 432178515 /nfs/dbraw/zinc/17/85/15/432178515.db2.gz FUGOPIZEFZNQFB-IAGOWNOFSA-N 1 0 320.477 3.237 10 0 DGAERO O=C(CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000182329100 432179122 /nfs/dbraw/zinc/17/91/22/432179122.db2.gz ZNBHEGMAKCINBS-INIZCTEOSA-N 1 0 309.413 3.088 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000137597639 432179756 /nfs/dbraw/zinc/17/97/56/432179756.db2.gz DNWQAPQMXGKCGK-MRXNPFEDSA-N 1 0 301.409 3.464 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1Cl ZINC000246919841 432181821 /nfs/dbraw/zinc/18/18/21/432181821.db2.gz GMSRJFFODAKBIN-RHSMWYFYSA-N 1 0 319.836 3.043 10 0 DGAERO CC(C)(C)[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000171902736 432182409 /nfs/dbraw/zinc/18/24/09/432182409.db2.gz IFCBJMUZHAESJZ-UKRRQHHQSA-N 1 0 321.490 3.325 10 0 DGAERO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000246883209 432175993 /nfs/dbraw/zinc/17/59/93/432175993.db2.gz BCVHKAGUCLURBO-HNAYVOBHSA-N 1 0 320.452 3.462 10 0 DGAERO CC(C)C[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190636635 432176253 /nfs/dbraw/zinc/17/62/53/432176253.db2.gz VHRDVBSATMWMET-FUHWJXTLSA-N 1 0 317.477 3.044 10 0 DGAERO CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000246876606 432176177 /nfs/dbraw/zinc/17/61/77/432176177.db2.gz CLFYHLDLMGRYPE-RDJZCZTQSA-N 1 0 320.477 3.399 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(Cl)cc1 ZINC000246942954 432183433 /nfs/dbraw/zinc/18/34/33/432183433.db2.gz AOLNYQLIKYCSLU-HOTGVXAUSA-N 1 0 321.852 3.108 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000246979601 432185934 /nfs/dbraw/zinc/18/59/34/432185934.db2.gz KTNYDFSAHWMYLQ-HOTGVXAUSA-N 1 0 319.449 3.391 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(Cl)cc1 ZINC000246982392 432187014 /nfs/dbraw/zinc/18/70/14/432187014.db2.gz ONODNGUMQRHCSE-IRXDYDNUSA-N 1 0 320.864 3.358 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCCc3ccccc31)CC2 ZINC000171981167 432187564 /nfs/dbraw/zinc/18/75/64/432187564.db2.gz BCCSBDAPKUFEGC-NVXWUHKLSA-N 1 0 310.445 3.384 10 0 DGAERO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H](O)COC(C)(C)C)cc1 ZINC000246991368 432188474 /nfs/dbraw/zinc/18/84/74/432188474.db2.gz FFWVXNZSCSHUMS-ZWKOTPCHSA-N 1 0 305.462 3.178 10 0 DGAERO Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)co2)cc1 ZINC000246985773 432188946 /nfs/dbraw/zinc/18/89/46/432188946.db2.gz KHLPZSZBLOVKQU-DOTOQJQBSA-N 1 0 313.445 3.265 10 0 DGAERO COc1ccccc1CCC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000182451922 432190651 /nfs/dbraw/zinc/19/06/51/432190651.db2.gz JAVAMAOVIUYUDR-SFHVURJKSA-N 1 0 313.445 3.470 10 0 DGAERO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)C1CCCC1 ZINC000172168249 432199075 /nfs/dbraw/zinc/19/90/75/432199075.db2.gz MEGHMKKYDZXIEO-SJCJKPOMSA-N 1 0 304.409 3.314 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccccc1Cl ZINC000247028741 432194375 /nfs/dbraw/zinc/19/43/75/432194375.db2.gz TYNBNKMRCIZDRB-CVEARBPZSA-N 1 0 320.864 3.358 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@@H]1c1ccco1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247045273 432196799 /nfs/dbraw/zinc/19/67/99/432196799.db2.gz OECOFNQSVVSFAW-BZUAXINKSA-N 1 0 319.449 3.247 10 0 DGAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cccs2)c1 ZINC000182540286 432201151 /nfs/dbraw/zinc/20/11/51/432201151.db2.gz MTHGPUVOHFGUFJ-IUODEOHRSA-N 1 0 319.426 3.041 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000247077718 432200380 /nfs/dbraw/zinc/20/03/80/432200380.db2.gz HSPNLGGEWSTZKP-BBRMVZONSA-N 1 0 320.864 3.313 10 0 DGAERO C[C@@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)O1 ZINC000130570908 196092325 /nfs/dbraw/zinc/09/23/25/196092325.db2.gz XAAOLDXXQPWJKO-RHSMWYFYSA-N 1 0 302.418 3.179 10 0 DGAERO COC(=O)c1coc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000130725365 196104330 /nfs/dbraw/zinc/10/43/30/196104330.db2.gz VKZRIGFYIHOXCL-MNOVXSKESA-N 1 0 305.296 3.277 10 0 DGAERO CCc1cc(C)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)o1 ZINC000130842531 196115105 /nfs/dbraw/zinc/11/51/05/196115105.db2.gz VPSOHWQIQPQPIF-MRXNPFEDSA-N 1 0 318.392 3.322 10 0 DGAERO CCc1cc(C)c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)o1 ZINC000131200736 196149204 /nfs/dbraw/zinc/14/92/04/196149204.db2.gz XVRJBRPISNCTMP-CYBMUJFWSA-N 1 0 306.431 3.245 10 0 DGAERO CCc1oc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1C ZINC000150973690 432206933 /nfs/dbraw/zinc/20/69/33/432206933.db2.gz MSGMSLDFMOQZPA-UHFFFAOYSA-N 1 0 318.417 3.256 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247183011 432208532 /nfs/dbraw/zinc/20/85/32/432208532.db2.gz UUHXVIOVUGSRCH-LSDHHAIUSA-N 1 0 320.481 3.378 10 0 DGAERO Fc1ccc2oc(CN3CCC[C@H]3C[NH+]3CCCCC3)nc2c1 ZINC000151002093 432209926 /nfs/dbraw/zinc/20/99/26/432209926.db2.gz DUJXSPLFMXLYNK-HNNXBMFYSA-N 1 0 317.408 3.417 10 0 DGAERO Fc1ccc2oc(CN3CCC[C@@H]3C[NH+]3CCCCC3)nc2c1 ZINC000151002045 432210028 /nfs/dbraw/zinc/21/00/28/432210028.db2.gz DUJXSPLFMXLYNK-OAHLLOKOSA-N 1 0 317.408 3.417 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[C@@H]1C ZINC000247182261 432210007 /nfs/dbraw/zinc/21/00/07/432210007.db2.gz ZFOXVJSKKCWKPI-OPQQBVKSSA-N 1 0 311.223 3.164 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(Br)c1 ZINC000247192838 432210634 /nfs/dbraw/zinc/21/06/34/432210634.db2.gz LHWXWQTXAVYMSY-PWSUYJOCSA-N 1 0 315.280 3.179 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000247203490 432211820 /nfs/dbraw/zinc/21/18/20/432211820.db2.gz LRSHISLSGWNMHG-FZMZJTMJSA-N 1 0 312.335 3.014 10 0 DGAERO CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000191039170 432213744 /nfs/dbraw/zinc/21/37/44/432213744.db2.gz ZLPOYSDAYPQKRW-GFCCVEGCSA-N 1 0 319.417 3.220 10 0 DGAERO CCC[N@@H+]1CC[C@H](CN[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000247245359 432214958 /nfs/dbraw/zinc/21/49/58/432214958.db2.gz ZENHWHNBHPRFNN-PBHICJAKSA-N 1 0 306.425 3.361 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000191054371 432215350 /nfs/dbraw/zinc/21/53/50/432215350.db2.gz WJWIOYLDQRHJQJ-KXBFYZLASA-N 1 0 313.445 3.464 10 0 DGAERO CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccs2)cc1 ZINC000182551231 432203785 /nfs/dbraw/zinc/20/37/85/432203785.db2.gz QZLPAIXSSAQDFN-KBPBESRZSA-N 1 0 321.442 3.237 10 0 DGAERO C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@@H](c2ccccc2)O1 ZINC000247121072 432204256 /nfs/dbraw/zinc/20/42/56/432204256.db2.gz MPMPURGHZGWXDH-MJGOQNOKSA-N 1 0 302.462 3.324 10 0 DGAERO CCC(CC)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247122980 432204365 /nfs/dbraw/zinc/20/43/65/432204365.db2.gz YXZORIXLOWWGMD-HZPDHXFCSA-N 1 0 309.498 3.471 10 0 DGAERO CCOc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(C)c1 ZINC000247364262 432225435 /nfs/dbraw/zinc/22/54/35/432225435.db2.gz QXAVUIRZBSJLBI-HUUCEWRRSA-N 1 0 317.433 3.094 10 0 DGAERO Fc1cccc(CCC[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000182757574 432225579 /nfs/dbraw/zinc/22/55/79/432225579.db2.gz NRKSLHDHFNGDSF-UHFFFAOYSA-N 1 0 301.409 3.367 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247376018 432225823 /nfs/dbraw/zinc/22/58/23/432225823.db2.gz SRRZEABOMHNWMK-YPMHNXCESA-N 1 0 323.824 3.049 10 0 DGAERO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000172633831 432226351 /nfs/dbraw/zinc/22/63/51/432226351.db2.gz ICBPJHXXBJQGIQ-DZGCQCFKSA-N 1 0 316.376 3.219 10 0 DGAERO CCCOc1ccc(OCC[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cc1 ZINC000191148765 432227287 /nfs/dbraw/zinc/22/72/87/432227287.db2.gz FQQYVRKPCUYPQR-GJZGRUSLSA-N 1 0 307.434 3.088 10 0 DGAERO Cc1ccc(-c2cc(CN3C[C@@H]4CCC[N@H+]4C[C@H]3C)on2)cc1 ZINC000247406145 432227531 /nfs/dbraw/zinc/22/75/31/432227531.db2.gz PSWJHYQNBAGYRM-WBVHZDCISA-N 1 0 311.429 3.319 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000247397211 432228007 /nfs/dbraw/zinc/22/80/07/432228007.db2.gz PDQFDCNOTWXVNP-RISCZKNCSA-N 1 0 317.820 3.130 10 0 DGAERO CC(C)CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C(C)C ZINC000172656488 432228143 /nfs/dbraw/zinc/22/81/43/432228143.db2.gz GNCDWUFPVOPJBX-UHFFFAOYSA-N 1 0 323.456 3.463 10 0 DGAERO CCc1oc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000131487799 196173160 /nfs/dbraw/zinc/17/31/60/196173160.db2.gz FDMBKXHVSNSATI-OAHLLOKOSA-N 1 0 304.434 3.098 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000247253930 432216879 /nfs/dbraw/zinc/21/68/79/432216879.db2.gz DTRMAVVJLXDMSI-BBRMVZONSA-N 1 0 324.415 3.086 10 0 DGAERO Cc1ccc(SCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247263121 432217205 /nfs/dbraw/zinc/21/72/05/432217205.db2.gz FDNGBRROWGXZOV-LSDHHAIUSA-N 1 0 306.475 3.028 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@H](C)c2cccs2)C1 ZINC000247271007 432217996 /nfs/dbraw/zinc/21/79/96/432217996.db2.gz JWYUSSATXRQKPQ-MCIONIFRSA-N 1 0 309.479 3.179 10 0 DGAERO CC(C)[C@H](C)CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000172505599 432218198 /nfs/dbraw/zinc/21/81/98/432218198.db2.gz TWSBOACPHDJUCL-QZTJIDSGSA-N 1 0 323.525 3.432 10 0 DGAERO Cc1ncsc1CC[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000172535951 432219527 /nfs/dbraw/zinc/21/95/27/432219527.db2.gz HSTNKYSBRFNMNS-AWEZNQCLSA-N 1 0 304.463 3.181 10 0 DGAERO Cc1ccccc1SCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247296543 432220018 /nfs/dbraw/zinc/22/00/18/432220018.db2.gz GSABPZYIJRIRBC-GJZGRUSLSA-N 1 0 306.475 3.028 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(Cl)c1F ZINC000247309669 432221635 /nfs/dbraw/zinc/22/16/35/432221635.db2.gz JTGGUDNYRHNYKQ-QWRGUYRKSA-N 1 0 311.788 3.180 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(Cl)c1F ZINC000247309664 432222134 /nfs/dbraw/zinc/22/21/34/432222134.db2.gz JTGGUDNYRHNYKQ-MNOVXSKESA-N 1 0 311.788 3.180 10 0 DGAERO CCS[C@@H]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000247350838 432224493 /nfs/dbraw/zinc/22/44/93/432224493.db2.gz PBOGQOKKUKSFAS-RRFJBIMHSA-N 1 0 315.527 3.080 10 0 DGAERO CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000131866460 196205266 /nfs/dbraw/zinc/20/52/66/196205266.db2.gz TXTODOJMVJDSEZ-ALOPSCKCSA-N 1 0 315.417 3.026 10 0 DGAERO C[C@H]1CC[C@@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)O1 ZINC000132030555 196220092 /nfs/dbraw/zinc/22/00/92/196220092.db2.gz GTTAACQTTVJVOM-YJBOKZPZSA-N 1 0 316.445 3.425 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132434313 196255486 /nfs/dbraw/zinc/25/54/86/196255486.db2.gz UOFZHVNNNJAJJD-ZOBUZTSGSA-N 1 0 303.450 3.084 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000132690898 196275987 /nfs/dbraw/zinc/27/59/87/196275987.db2.gz SYUOBQJEMLTWKA-CQSZACIVSA-N 1 0 310.463 3.364 10 0 DGAERO CCc1onc(C)c1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000132935161 196298157 /nfs/dbraw/zinc/29/81/57/196298157.db2.gz YHCDLJORZZAMGA-STQMWFEESA-N 1 0 321.465 3.032 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000133002352 196303716 /nfs/dbraw/zinc/30/37/16/196303716.db2.gz JEAXBQVORTXHTD-LSDHHAIUSA-N 1 0 306.450 3.147 10 0 DGAERO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)cc1F ZINC000133215124 196322126 /nfs/dbraw/zinc/32/21/26/196322126.db2.gz RUIUVOUCSOKBRR-NEPJUHHUSA-N 1 0 310.800 3.096 10 0 DGAERO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H](C)CS(C)(=O)=O)c1 ZINC000133747550 196334080 /nfs/dbraw/zinc/33/40/80/196334080.db2.gz IOKCGCRXIAGOFK-RHSMWYFYSA-N 1 0 309.475 3.121 10 0 DGAERO CC(C)C[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccccn1 ZINC000134141322 196365452 /nfs/dbraw/zinc/36/54/52/196365452.db2.gz TYCFXEBYLOUYJG-GOSISDBHSA-N 1 0 317.477 3.405 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](O)COc1cc(C)cc(C)c1)c1nccs1 ZINC000134237624 196372389 /nfs/dbraw/zinc/37/23/89/196372389.db2.gz FUSOJSXSMIJEGI-ZBFHGGJFSA-N 1 0 320.458 3.241 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134460515 196392952 /nfs/dbraw/zinc/39/29/52/196392952.db2.gz GQECUBHNKCKUNB-SNVBAGLBSA-N 1 0 306.353 3.320 10 0 DGAERO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(Cl)c1 ZINC000111245388 545872292 /nfs/dbraw/zinc/87/22/92/545872292.db2.gz KTVYPLKJEPAVDH-TVQRCGJNSA-N 1 0 320.742 3.059 10 0 DGAERO O=C(c1cc(Cl)cc(Cl)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186518590 304482633 /nfs/dbraw/zinc/48/26/33/304482633.db2.gz UWJDASFLUCPVPV-CYBMUJFWSA-N 1 0 313.228 3.350 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000152321368 227072236 /nfs/dbraw/zinc/07/22/36/227072236.db2.gz QBUQXKPKHVIUKG-FZMZJTMJSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000153107077 227081816 /nfs/dbraw/zinc/08/18/16/227081816.db2.gz AMXBRFAOQPJCPI-LRDDRELGSA-N 1 0 304.365 3.216 10 0 DGAERO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000291363654 222342533 /nfs/dbraw/zinc/34/25/33/222342533.db2.gz YPNPZQDPJGBDAI-LJQANCHMSA-N 1 0 314.404 3.038 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000158979990 228239917 /nfs/dbraw/zinc/23/99/17/228239917.db2.gz CMNIJKXYFCWRIH-FZMZJTMJSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000173250377 228279770 /nfs/dbraw/zinc/27/97/70/228279770.db2.gz FISYAQMICCBAMX-AWEZNQCLSA-N 1 0 307.463 3.396 10 0 DGAERO Fc1ccc(-n2ccc(C[N@H+](C[C@@H]3CCOC3)C3CC3)n2)cc1 ZINC000173525251 228282171 /nfs/dbraw/zinc/28/21/71/228282171.db2.gz PCUBRDINZFREQY-AWEZNQCLSA-N 1 0 315.392 3.012 10 0 DGAERO c1cnn(CCCCC[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000173835587 228285101 /nfs/dbraw/zinc/28/51/01/228285101.db2.gz RJLWKWKLEABOSY-SFHVURJKSA-N 1 0 305.466 3.477 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000176051879 228308666 /nfs/dbraw/zinc/30/86/66/228308666.db2.gz UTXSAOYVQSKXFV-GDBMZVCRSA-N 1 0 316.445 3.173 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccccc2)cc1F ZINC000176127564 228310154 /nfs/dbraw/zinc/31/01/54/228310154.db2.gz BQXYKGLEEVLYMV-QAPCUYQASA-N 1 0 317.404 3.362 10 0 DGAERO Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000177271230 228328752 /nfs/dbraw/zinc/32/87/52/228328752.db2.gz OMQYTWGCQDZYAY-HNNXBMFYSA-N 1 0 317.351 3.071 10 0 DGAERO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@@H]1C1CC1 ZINC000177343251 228329579 /nfs/dbraw/zinc/32/95/79/228329579.db2.gz QOPIUHYLQYKHPM-DGDSNLKDSA-N 1 0 324.468 3.344 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)cc1F ZINC000183886919 228377863 /nfs/dbraw/zinc/37/78/63/228377863.db2.gz JFBGIEALIXZZHW-LBPRGKRZSA-N 1 0 301.365 3.086 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000178197103 228338227 /nfs/dbraw/zinc/33/82/27/228338227.db2.gz GQTNRYOZXKIDBO-OAGGEKHMSA-N 1 0 302.466 3.250 10 0 DGAERO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)C1CCCC1 ZINC000179544872 228352374 /nfs/dbraw/zinc/35/23/74/228352374.db2.gz PDUOKXGOXQBRBK-HNNXBMFYSA-N 1 0 309.498 3.329 10 0 DGAERO COC[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1F)C1CCOCC1 ZINC000188092926 228449816 /nfs/dbraw/zinc/44/98/16/228449816.db2.gz UTPYRUBNPRHPGY-YVEFUNNKSA-N 1 0 313.388 3.100 10 0 DGAERO c1nc2c(n1[C@H]1CC[N@@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000299740355 229374639 /nfs/dbraw/zinc/37/46/39/229374639.db2.gz YVLDYKAOGSKBSH-AWEZNQCLSA-N 1 0 322.412 3.350 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000131124042 292647670 /nfs/dbraw/zinc/64/76/70/292647670.db2.gz RWALUBULMOFZAU-UHFFFAOYSA-N 1 0 310.482 3.010 10 0 DGAERO Cc1cccc2c(N(C)Cc3cnc(N(C)C)nc3)cc[nH+]c12 ZINC000302042349 230058531 /nfs/dbraw/zinc/05/85/31/230058531.db2.gz SBEHCXUTNJETQH-UHFFFAOYSA-N 1 0 307.401 3.036 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccnc(C2CC2)n1 ZINC000302157659 230131898 /nfs/dbraw/zinc/13/18/98/230131898.db2.gz FWSSCPYCRYTNJR-RHSMWYFYSA-N 1 0 308.429 3.286 10 0 DGAERO CN1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000044561443 1194287160 /nfs/dbraw/zinc/28/71/60/1194287160.db2.gz FQKNVQCIZJFLOD-SNVBAGLBSA-N 1 0 303.269 3.085 10 0 DGAERO C[C@@H]1CN(CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCO1 ZINC000180096468 263569872 /nfs/dbraw/zinc/56/98/72/263569872.db2.gz ZSBVTAMJQAAFCE-CXAGYDPISA-N 1 0 308.853 3.101 10 0 DGAERO COc1ccccc1CCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000182451905 263592160 /nfs/dbraw/zinc/59/21/60/263592160.db2.gz JAVAMAOVIUYUDR-GOSISDBHSA-N 1 0 313.445 3.470 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC2CCC(C)(C)CC2)C1 ZINC000183072968 263597559 /nfs/dbraw/zinc/59/75/59/263597559.db2.gz PTZDMQPXQOUXHF-ZBFHGGJFSA-N 1 0 307.482 3.081 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000184311214 263609585 /nfs/dbraw/zinc/60/95/85/263609585.db2.gz FGSMZXBBNYHROW-IRXDYDNUSA-N 1 0 318.486 3.466 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000185186248 263629830 /nfs/dbraw/zinc/62/98/30/263629830.db2.gz PBIQFOAOPDTXHO-UHFFFAOYSA-N 1 0 312.413 3.442 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000187812118 263680857 /nfs/dbraw/zinc/68/08/57/263680857.db2.gz RROKGVVXYFHNSW-RHSMWYFYSA-N 1 0 310.869 3.144 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000188552317 263697301 /nfs/dbraw/zinc/69/73/01/263697301.db2.gz WNRMIVVYPLATQF-CHWSQXEVSA-N 1 0 323.403 3.091 10 0 DGAERO CC[NH+](CC)CCCNC1(c2noc(C(C)C)n2)CCCC1 ZINC000191800527 263765752 /nfs/dbraw/zinc/76/57/52/263765752.db2.gz VCIRGFRIVDBJHO-UHFFFAOYSA-N 1 0 308.470 3.284 10 0 DGAERO COCCCCC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192156193 263772572 /nfs/dbraw/zinc/77/25/72/263772572.db2.gz CARNFFRUKKHPBQ-RDJZCZTQSA-N 1 0 324.852 3.018 10 0 DGAERO COC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(Cl)cc1 ZINC000193957960 263804350 /nfs/dbraw/zinc/80/43/50/263804350.db2.gz ZGXVTBMURMIEJS-KRWDZBQOSA-N 1 0 321.852 3.210 10 0 DGAERO CC(C)COC[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000194032727 263805716 /nfs/dbraw/zinc/80/57/16/263805716.db2.gz CJIKIUGJHSCUEL-IAGOWNOFSA-N 1 0 311.853 3.414 10 0 DGAERO CCC(CC)(CO)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000229207925 263842250 /nfs/dbraw/zinc/84/22/50/263842250.db2.gz PSPDXXAUSOOQKT-UHFFFAOYSA-N 1 0 318.230 3.477 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3[NH2+]CC[C@@H]1CCOC1)CCC2 ZINC000346873531 264112474 /nfs/dbraw/zinc/11/24/74/264112474.db2.gz OMCUAKZBBMIQPC-RDTXWAMCSA-N 1 0 301.430 3.405 10 0 DGAERO c1ccc(COCCC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000347489553 264228737 /nfs/dbraw/zinc/22/87/37/264228737.db2.gz SFZODQFDDHKIIE-RBUKOAKNSA-N 1 0 303.446 3.342 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOCc1ccccc1 ZINC000347498446 264230073 /nfs/dbraw/zinc/23/00/73/264230073.db2.gz UYMPEYLAJWMEOI-RTBURBONSA-N 1 0 302.462 3.152 10 0 DGAERO CC(=O)c1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(F)c1 ZINC000347584856 264246259 /nfs/dbraw/zinc/24/62/59/264246259.db2.gz FZAUWIOZOFTMEA-STQMWFEESA-N 1 0 320.408 3.021 10 0 DGAERO CC(=O)c1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c(F)c1 ZINC000347584853 264246636 /nfs/dbraw/zinc/24/66/36/264246636.db2.gz FZAUWIOZOFTMEA-CHWSQXEVSA-N 1 0 320.408 3.021 10 0 DGAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000347775977 264282520 /nfs/dbraw/zinc/28/25/20/264282520.db2.gz HJNFTNOHYHYTEK-GJZGRUSLSA-N 1 0 301.789 3.106 10 0 DGAERO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000349812848 264551523 /nfs/dbraw/zinc/55/15/23/264551523.db2.gz MPRJUYZPDZOYGX-OTDNITJGSA-N 1 0 302.187 3.005 10 0 DGAERO Cc1cnn(C)c1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000352251130 264982312 /nfs/dbraw/zinc/98/23/12/264982312.db2.gz OHQZGXMZXXYIDX-LLVKDONJSA-N 1 0 308.223 3.342 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc2c1COC2 ZINC000353273653 265370415 /nfs/dbraw/zinc/37/04/15/265370415.db2.gz HONKDNLLMZEJNN-QXAKKESOSA-N 1 0 301.430 3.402 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000247408406 432229109 /nfs/dbraw/zinc/22/91/09/432229109.db2.gz MLPYVEYHMQBQHR-GOEBONIOSA-N 1 0 306.475 3.158 10 0 DGAERO COc1ccc(-c2noc([C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)n2)cn1 ZINC000191170550 432231311 /nfs/dbraw/zinc/23/13/11/432231311.db2.gz OTQARRIDXPSZKF-SRVKXCTJSA-N 1 0 302.378 3.074 10 0 DGAERO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000355243242 266014441 /nfs/dbraw/zinc/01/44/41/266014441.db2.gz WLUSMKWDFOVIIP-MSOLQXFVSA-N 1 0 311.429 3.121 10 0 DGAERO c1c(C2CC2)nn2ccnc(NC[C@H]3CC[N@@H+]3C3CCCC3)c12 ZINC000631404184 424834993 /nfs/dbraw/zinc/83/49/93/424834993.db2.gz SXYZTCUYZGORFZ-OAHLLOKOSA-N 1 0 311.433 3.036 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000355560288 266116014 /nfs/dbraw/zinc/11/60/14/266116014.db2.gz UTPQYACMTGHCJC-INIZCTEOSA-N 1 0 302.418 3.401 10 0 DGAERO CC(=O)N1CC[N@H+](CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000356134175 266295208 /nfs/dbraw/zinc/29/52/08/266295208.db2.gz KQSYQLWKDHSQFR-HNNXBMFYSA-N 1 0 302.462 3.079 10 0 DGAERO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)n(C(C)(C)C)n1 ZINC000247497701 432235045 /nfs/dbraw/zinc/23/50/45/432235045.db2.gz LLGPULHFZHIKJX-TZMCWYRMSA-N 1 0 306.454 3.005 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247523121 432237289 /nfs/dbraw/zinc/23/72/89/432237289.db2.gz NOVYXCJHKXBKRW-UONOGXRCSA-N 1 0 308.470 3.234 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(-c2cccs2)on1 ZINC000247517502 432237579 /nfs/dbraw/zinc/23/75/79/432237579.db2.gz WKKIOUFVJSCZSN-JSGCOSHPSA-N 1 0 303.431 3.072 10 0 DGAERO CC[NH+]1CCN(c2ccc(C(=O)NC(C)(CC)CC)cc2)CC1 ZINC000172811173 432237930 /nfs/dbraw/zinc/23/79/30/432237930.db2.gz MAUWQTNQMLWQBA-UHFFFAOYSA-N 1 0 317.477 3.137 10 0 DGAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(CO)cc2)C12CCCC2 ZINC000182880014 432238164 /nfs/dbraw/zinc/23/81/64/432238164.db2.gz COPMKQRWROJYLG-MSOLQXFVSA-N 1 0 303.446 3.349 10 0 DGAERO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000247533162 432239821 /nfs/dbraw/zinc/23/98/21/432239821.db2.gz OKOWVKMIOJSDKF-CPUCHLNUSA-N 1 0 309.425 3.385 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191259591 432240176 /nfs/dbraw/zinc/24/01/76/432240176.db2.gz VQDJXZHVRBXPEC-AAEUAGOBSA-N 1 0 302.871 3.163 10 0 DGAERO Cc1cc(Br)ccc1C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191259176 432240806 /nfs/dbraw/zinc/24/08/06/432240806.db2.gz HNMABCCOWHNCRK-VXGBXAGGSA-N 1 0 312.251 3.491 10 0 DGAERO COc1ccc(-c2nc(C[NH+]3[C@H](C)CC(O)C[C@H]3C)co2)cc1 ZINC000191266239 432241992 /nfs/dbraw/zinc/24/19/92/432241992.db2.gz BFARNNHMMBOFHT-CHWSQXEVSA-N 1 0 316.401 3.084 10 0 DGAERO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000247565077 432242123 /nfs/dbraw/zinc/24/21/23/432242123.db2.gz RDWNGLYZWVLWRA-XYPHTWIQSA-N 1 0 309.425 3.385 10 0 DGAERO C[C@@H](NC(=O)N1CCCC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182936060 432243372 /nfs/dbraw/zinc/24/33/72/432243372.db2.gz FXBNKGDWQKKZQB-HZPDHXFCSA-N 1 0 321.509 3.471 10 0 DGAERO CCOC(=O)c1cnccc1N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000359868586 271004316 /nfs/dbraw/zinc/00/43/16/271004316.db2.gz DRKNVIPQNPFILG-GXSJLCMTSA-N 1 0 302.296 3.035 10 0 DGAERO C[C@H]1CCOCCN1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000367630712 271056198 /nfs/dbraw/zinc/05/61/98/271056198.db2.gz GJNVZDUIFRJILD-JTQLQIEISA-N 1 0 314.216 3.252 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Br)cc1F ZINC000367689348 271064408 /nfs/dbraw/zinc/06/44/08/271064408.db2.gz PMEWRAPPYOPMCA-ZBPZKIAKSA-N 1 0 314.198 3.131 10 0 DGAERO Cc1cc(CC[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)on1 ZINC000367699070 271065933 /nfs/dbraw/zinc/06/59/33/271065933.db2.gz RLOSFPNBSALWQI-ROUUACIJSA-N 1 0 314.429 3.499 10 0 DGAERO CCOC(=O)CC(C)(C)CC[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000367873703 271090428 /nfs/dbraw/zinc/09/04/28/271090428.db2.gz IQRUKIMXLHXATM-INIZCTEOSA-N 1 0 321.465 3.317 10 0 DGAERO CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000368436150 271158017 /nfs/dbraw/zinc/15/80/17/271158017.db2.gz WTHGVUOVBCSRIW-IXDOHACOSA-N 1 0 300.446 3.059 10 0 DGAERO c1coc([C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)N2CCCCC2)c1 ZINC000368602296 271178702 /nfs/dbraw/zinc/17/87/02/271178702.db2.gz JBBMONTVXZBMMH-RDJZCZTQSA-N 1 0 314.433 3.197 10 0 DGAERO c1coc([C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)N2CCCCC2)c1 ZINC000368602295 271179458 /nfs/dbraw/zinc/17/94/58/271179458.db2.gz JBBMONTVXZBMMH-NVXWUHKLSA-N 1 0 314.433 3.197 10 0 DGAERO c1cn(C2CCCC2)nc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368652195 271187330 /nfs/dbraw/zinc/18/73/30/271187330.db2.gz YNCSYMYBEHBUFQ-QGZVFWFLSA-N 1 0 310.445 3.458 10 0 DGAERO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC000369217462 271252209 /nfs/dbraw/zinc/25/22/09/271252209.db2.gz YZYCTCHLVPOUBQ-QGZVFWFLSA-N 1 0 322.449 3.089 10 0 DGAERO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000369226546 271253857 /nfs/dbraw/zinc/25/38/57/271253857.db2.gz MDADPWISKMFWRQ-OAHLLOKOSA-N 1 0 320.396 3.050 10 0 DGAERO c1cc(-c2ccc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)o2)n[nH]1 ZINC000369491798 271282116 /nfs/dbraw/zinc/28/21/16/271282116.db2.gz SKEYBBCLZFJQSM-CQSZACIVSA-N 1 0 301.390 3.061 10 0 DGAERO Cc1ccncc1C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000370190901 271344236 /nfs/dbraw/zinc/34/42/36/271344236.db2.gz AZNSPAZHNBBOFP-HNNXBMFYSA-N 1 0 303.356 3.037 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000247921314 432254765 /nfs/dbraw/zinc/25/47/65/432254765.db2.gz BFDIFFACZPQNJJ-MDZRGWNJSA-N 1 0 301.478 3.460 10 0 DGAERO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)c2cnccn2)C1 ZINC000247939650 432255075 /nfs/dbraw/zinc/25/50/75/432255075.db2.gz CVRICSHOOLFNPD-ZBFHGGJFSA-N 1 0 314.408 3.244 10 0 DGAERO CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1cccnc1-n1cncn1 ZINC000187005838 273554281 /nfs/dbraw/zinc/55/42/81/273554281.db2.gz YUOGZHOVWXWXBG-SFHVURJKSA-N 1 0 321.428 3.019 10 0 DGAERO CCc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000191370010 432256928 /nfs/dbraw/zinc/25/69/28/432256928.db2.gz AUNNXVONPLPRTC-INIZCTEOSA-N 1 0 316.445 3.045 10 0 DGAERO Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247980898 432258632 /nfs/dbraw/zinc/25/86/32/432258632.db2.gz HLXMKRDIBPZTGE-CABCVRRESA-N 1 0 300.427 3.232 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189455094 274022059 /nfs/dbraw/zinc/02/20/59/274022059.db2.gz ODRIJTGYWRVHMX-IRXDYDNUSA-N 1 0 318.461 3.122 10 0 DGAERO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178359695 274117438 /nfs/dbraw/zinc/11/74/38/274117438.db2.gz INRUMPPCVGIEQO-ITHTXLDVSA-N 1 0 311.425 3.435 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176031354 287733515 /nfs/dbraw/zinc/73/35/15/287733515.db2.gz IKLQULJREMILOS-CABCVRRESA-N 1 0 307.482 3.223 10 0 DGAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2cncc(Br)c2)CC1 ZINC000154943953 274292546 /nfs/dbraw/zinc/29/25/46/274292546.db2.gz WPIJEBZEMALNNO-GFCCVEGCSA-N 1 0 324.266 3.297 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(C)(C)c1ccccc1 ZINC000089732372 274526055 /nfs/dbraw/zinc/52/60/55/274526055.db2.gz IIOLACKZMCHQJP-WMZOPIPTSA-N 1 0 324.472 3.401 10 0 DGAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000031934800 274553334 /nfs/dbraw/zinc/55/33/34/274553334.db2.gz JKFAVTDCTAUGJN-JQWIXIFHSA-N 1 0 317.458 3.142 10 0 DGAERO Cc1ccc(F)cc1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000071790635 274746697 /nfs/dbraw/zinc/74/66/97/274746697.db2.gz ZHTYDQQOUGNNIW-ZFWWWQNUSA-N 1 0 308.397 3.186 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nnc(C(C)C)n3C1)CC2 ZINC000180533533 274779742 /nfs/dbraw/zinc/77/97/42/274779742.db2.gz FVDHEDOTSPZHHU-DOTOQJQBSA-N 1 0 310.445 3.302 10 0 DGAERO Cc1noc(CC[NH2+]C2c3ccccc3CCc3ccccc32)n1 ZINC000180843492 274874306 /nfs/dbraw/zinc/87/43/06/274874306.db2.gz VEIBRHCCWSGDEG-UHFFFAOYSA-N 1 0 319.408 3.398 10 0 DGAERO Cn1cc(C[NH2+]C2c3ccccc3CCc3ccccc32)cn1 ZINC000180207796 274892229 /nfs/dbraw/zinc/89/22/29/274892229.db2.gz QPDPFFHBTOLBNN-UHFFFAOYSA-N 1 0 303.409 3.398 10 0 DGAERO OCC[C@@]1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCOC1 ZINC000180156005 275047895 /nfs/dbraw/zinc/04/78/95/275047895.db2.gz RJKJWWSFHGXYFF-IRXDYDNUSA-N 1 0 309.837 3.170 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000250213543 275052943 /nfs/dbraw/zinc/05/29/43/275052943.db2.gz MZUBXVBTLPBZHH-HRCADAONSA-N 1 0 324.262 3.200 10 0 DGAERO COc1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCCO3)co2)cc1 ZINC000183103752 432260430 /nfs/dbraw/zinc/26/04/30/432260430.db2.gz ITTWYBZXLCONHU-WBMJQRKESA-N 1 0 302.374 3.007 10 0 DGAERO CC(=O)NCCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000129680328 275781208 /nfs/dbraw/zinc/78/12/08/275781208.db2.gz AWSIPAWZTAIQQM-KRWDZBQOSA-N 1 0 316.445 3.329 10 0 DGAERO CC1(C)CC[C@H]([NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000330259075 275831920 /nfs/dbraw/zinc/83/19/20/275831920.db2.gz NBACAASMELAAAM-DZGCQCFKSA-N 1 0 311.433 3.208 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000187177730 275912773 /nfs/dbraw/zinc/91/27/73/275912773.db2.gz PLKFANCYPUXFEB-ARFHVFGLSA-N 1 0 302.466 3.298 10 0 DGAERO CC1CC[NH+](CCN2C[C@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC000246526286 275939313 /nfs/dbraw/zinc/93/93/13/275939313.db2.gz UMESDCTXRUPNIU-PKOBYXMFSA-N 1 0 302.462 3.180 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000473516220 276006495 /nfs/dbraw/zinc/00/64/95/276006495.db2.gz AGAPBAOMHXJMRZ-IEBWSBKVSA-N 1 0 314.473 3.494 10 0 DGAERO CCC[C@H](C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C)[NH+](C)C ZINC000245805772 276038036 /nfs/dbraw/zinc/03/80/36/276038036.db2.gz PZJODVSDDUMJSQ-QGPMSJSTSA-N 1 0 318.461 3.130 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2ncsc2c1 ZINC000193183882 276112442 /nfs/dbraw/zinc/11/24/42/276112442.db2.gz VUPFAPBCNZPASB-NSHDSACASA-N 1 0 306.435 3.148 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1c2c(ccc1OC)CCC2 ZINC000191339205 276117053 /nfs/dbraw/zinc/11/70/53/276117053.db2.gz YOWYJPUTBSGEAE-CYBMUJFWSA-N 1 0 319.449 3.036 10 0 DGAERO CCOC(=O)c1ccc[n+](C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000191698224 276300282 /nfs/dbraw/zinc/30/02/82/276300282.db2.gz AHWVTQSKSVHUHX-INIZCTEOSA-N 1 0 304.410 3.033 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176207175 276338462 /nfs/dbraw/zinc/33/84/62/276338462.db2.gz ZSHDKIHAJWICNF-KGLIPLIRSA-N 1 0 324.494 3.110 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C12CCOCC2 ZINC000248981923 276347774 /nfs/dbraw/zinc/34/77/74/276347774.db2.gz JBDPNWOFKCMQEK-IPMKNSEASA-N 1 0 315.457 3.108 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000245919166 276362073 /nfs/dbraw/zinc/36/20/73/276362073.db2.gz SOBJADMWPCDVFU-FRRDWIJNSA-N 1 0 306.372 3.098 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccsc1 ZINC000453209469 276585261 /nfs/dbraw/zinc/58/52/61/276585261.db2.gz ILJXDJAJGNEQHG-CWRNSKLLSA-N 1 0 309.475 3.357 10 0 DGAERO CC[C@H](C)Oc1cccc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262043488 276619040 /nfs/dbraw/zinc/61/90/40/276619040.db2.gz YULLLDQRDIKQQE-PIKADFDJSA-N 1 0 318.461 3.433 10 0 DGAERO CN1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CCC1=O ZINC000091344107 276979508 /nfs/dbraw/zinc/97/95/08/276979508.db2.gz JLJJCWLIYFGXFK-FUHWJXTLSA-N 1 0 304.409 3.267 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)o2)[C@H]1c1ccccc1 ZINC000247965432 277137085 /nfs/dbraw/zinc/13/70/85/277137085.db2.gz DPDRYPNVKQUYMS-IUODEOHRSA-N 1 0 304.777 3.108 10 0 DGAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)cn1 ZINC000275465446 277284600 /nfs/dbraw/zinc/28/46/00/277284600.db2.gz HIOISOAVUOJDEK-DLBZAZTESA-N 1 0 314.433 3.043 10 0 DGAERO COC(=O)C(C[NH3+])(Cc1ccc(C)cc1)Cc1ccc(C)cc1 ZINC000066054539 277307973 /nfs/dbraw/zinc/30/79/73/277307973.db2.gz AWEKOINOZYAPOB-UHFFFAOYSA-N 1 0 311.425 3.207 10 0 DGAERO CC(C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CCCC1 ZINC000261938384 277349088 /nfs/dbraw/zinc/34/90/88/277349088.db2.gz MMSVLHORGSEXLU-KZNAEPCWSA-N 1 0 308.510 3.340 10 0 DGAERO COC1CC([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449235989 277476221 /nfs/dbraw/zinc/47/62/21/277476221.db2.gz IGZSDLPSUIDLEB-RPTIHFLNSA-N 1 0 314.198 3.343 10 0 DGAERO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCO[C@@H](C3CC3)C1)C2 ZINC000249043569 278035219 /nfs/dbraw/zinc/03/52/19/278035219.db2.gz NLBBIQZDTOWQDU-FRQCXROJSA-N 1 0 301.430 3.100 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000250116536 278046851 /nfs/dbraw/zinc/04/68/51/278046851.db2.gz UNGCENFRIWVDLN-QCSYZSNVSA-N 1 0 300.446 3.028 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)CC2CC2)c2ccc(F)cc2C1 ZINC000184532473 278056934 /nfs/dbraw/zinc/05/69/34/278056934.db2.gz FXVCWBLRLSEIRR-XIKOKIGWSA-N 1 0 304.409 3.397 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000179403205 278059890 /nfs/dbraw/zinc/05/98/90/278059890.db2.gz GFCWIFCYZSIEOL-KDOFPFPSSA-N 1 0 314.429 3.145 10 0 DGAERO CSc1ccccc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000092231789 278176411 /nfs/dbraw/zinc/17/64/11/278176411.db2.gz ZBHOYJVBCZURIS-HIFRSBDPSA-N 1 0 304.459 3.013 10 0 DGAERO C[C@@H](C(=O)N(Cc1c(F)cccc1F)C1CCCC1)C1C[NH2+]C1 ZINC000262549696 278185759 /nfs/dbraw/zinc/18/57/59/278185759.db2.gz ONWONXLRMYKFBG-GFCCVEGCSA-N 1 0 322.399 3.092 10 0 DGAERO CC1(C)CCCC[C@@H]1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000156699414 278205121 /nfs/dbraw/zinc/20/51/21/278205121.db2.gz LPOAIENHXZBTCY-INIZCTEOSA-N 1 0 307.482 3.225 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000155017023 278223374 /nfs/dbraw/zinc/22/33/74/278223374.db2.gz LBBIWUKJHFEFMM-JKSUJKDBSA-N 1 0 310.482 3.009 10 0 DGAERO C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000299752671 278226309 /nfs/dbraw/zinc/22/63/09/278226309.db2.gz UXUAGWMUQMFXAR-JCGIZDLHSA-N 1 0 304.434 3.097 10 0 DGAERO CC(=O)[C@](C)(O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459728801 278238568 /nfs/dbraw/zinc/23/85/68/278238568.db2.gz AOLACZXJPVOIAN-QZTJIDSGSA-N 1 0 301.430 3.334 10 0 DGAERO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@@H]1c1ccccc1 ZINC000237479337 288029609 /nfs/dbraw/zinc/02/96/09/288029609.db2.gz IZABRPKHBIDENO-BEFAXECRSA-N 1 0 308.425 3.411 10 0 DGAERO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000248639878 278315189 /nfs/dbraw/zinc/31/51/89/278315189.db2.gz XUIYZJMDDQLRFK-SKDZVZGDSA-N 1 0 315.392 3.265 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)C1CCCC1 ZINC000184643523 278339118 /nfs/dbraw/zinc/33/91/18/278339118.db2.gz HYGUYALHFGIQRD-LLVKDONJSA-N 1 0 303.431 3.403 10 0 DGAERO C[C@@H]1CCCN(Cc2ccc(F)cc2Br)[C@@H]1C[NH3+] ZINC000070177981 278483664 /nfs/dbraw/zinc/48/36/64/278483664.db2.gz KSIZKAVIBBRCRX-QMTHXVAHSA-N 1 0 315.230 3.147 10 0 DGAERO C[C@@H]1CCCN(c2ncc(Cl)cc2Br)[C@@H]1C[NH3+] ZINC000159668230 278485891 /nfs/dbraw/zinc/48/58/91/278485891.db2.gz QNWZTGACALGHOR-LDYMZIIASA-N 1 0 318.646 3.061 10 0 DGAERO C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000407967615 278504533 /nfs/dbraw/zinc/50/45/33/278504533.db2.gz QRRLZSPVOQNPLI-KOLCDFICSA-N 1 0 303.431 3.164 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000247150955 288069079 /nfs/dbraw/zinc/06/90/79/288069079.db2.gz RNVBKSPDYYWCMF-MWDXBVQZSA-N 1 0 317.429 3.456 10 0 DGAERO Cc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000091374807 278845985 /nfs/dbraw/zinc/84/59/85/278845985.db2.gz CZQSBYGJCPROSB-UYAOXDASSA-N 1 0 322.456 3.495 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c(C)c1 ZINC000261971984 278854284 /nfs/dbraw/zinc/85/42/84/278854284.db2.gz QFZJEJNOPYCITD-ONIAQPFYSA-N 1 0 300.446 3.401 10 0 DGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000129842325 279008917 /nfs/dbraw/zinc/00/89/17/279008917.db2.gz SQKKEMNNTVWPBJ-HZGVNTEJSA-N 1 0 320.028 3.105 10 0 DGAERO CC[NH+](CC)[C@H](C)CNc1ncc(Br)cc1C ZINC000301637587 279161536 /nfs/dbraw/zinc/16/15/36/279161536.db2.gz XHRJEJGIONNFJD-LLVKDONJSA-N 1 0 300.244 3.295 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109087363 431169950 /nfs/dbraw/zinc/16/99/50/431169950.db2.gz UAGQZLGCMXQAHN-BPLDGKMQSA-N 1 0 322.399 3.059 10 0 DGAERO c1ccc(C[NH+]2CCC(Nc3ccnc(C4CC4)n3)CC2)cc1 ZINC000110111287 431181917 /nfs/dbraw/zinc/18/19/17/431181917.db2.gz OEYPBEASFVUMEA-UHFFFAOYSA-N 1 0 308.429 3.431 10 0 DGAERO C[NH+](C)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000108820603 431157804 /nfs/dbraw/zinc/15/78/04/431157804.db2.gz VJVORXHURWSEJL-UXHICEINSA-N 1 0 322.452 3.496 10 0 DGAERO C[C@@H](O)C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000111288113 431208011 /nfs/dbraw/zinc/20/80/11/431208011.db2.gz QMFXOOWZQJNRQJ-LLVKDONJSA-N 1 0 318.244 3.465 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000069683093 431214266 /nfs/dbraw/zinc/21/42/66/431214266.db2.gz KKAATILKFMCVJI-AWEZNQCLSA-N 1 0 317.351 3.281 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)s1 ZINC000111360046 431216738 /nfs/dbraw/zinc/21/67/38/431216738.db2.gz JCUUONQMHXNOLD-GWCFXTLKSA-N 1 0 304.415 3.251 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000112549863 431280649 /nfs/dbraw/zinc/28/06/49/431280649.db2.gz MJDCVXOFTJUWPD-BBRMVZONSA-N 1 0 316.836 3.450 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccccc1Cl ZINC000112549875 431281161 /nfs/dbraw/zinc/28/11/61/431281161.db2.gz GFFMELBDTZVZLU-ZIAGYGMSSA-N 1 0 316.836 3.450 10 0 DGAERO c1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc(C2CC2)n1 ZINC000112555753 431285410 /nfs/dbraw/zinc/28/54/10/431285410.db2.gz OXXVSRAJLOBNCX-INIZCTEOSA-N 1 0 314.477 3.446 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112719450 431301700 /nfs/dbraw/zinc/30/17/00/431301700.db2.gz QERVSRCIGJDKFV-YJBOKZPZSA-N 1 0 315.461 3.270 10 0 DGAERO COCC1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000112354840 431270122 /nfs/dbraw/zinc/27/01/22/431270122.db2.gz KRBUNGRZHVVURF-ZDUSSCGKSA-N 1 0 301.390 3.156 10 0 DGAERO Cc1nnc(CN(CCc2cccc(F)c2)C2CC2)n1C1CC1 ZINC000113940431 431369156 /nfs/dbraw/zinc/36/91/56/431369156.db2.gz PULKRYKQABKVBT-UHFFFAOYSA-N 1 0 314.408 3.268 10 0 DGAERO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(C)C ZINC000073458296 431370980 /nfs/dbraw/zinc/37/09/80/431370980.db2.gz UEXKMPMGIMBQCD-KBPBESRZSA-N 1 0 320.433 3.100 10 0 DGAERO COC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000112988199 431323547 /nfs/dbraw/zinc/32/35/47/431323547.db2.gz ANZBUDHRKVKKNS-KGLIPLIRSA-N 1 0 301.390 3.156 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1Cl ZINC000113230834 431333559 /nfs/dbraw/zinc/33/35/59/431333559.db2.gz CIUDLVZUTKCCIR-ZYHUDNBSSA-N 1 0 313.228 3.302 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCSc1ccccc1F ZINC000113226489 431335764 /nfs/dbraw/zinc/33/57/64/431335764.db2.gz KSLNCGYJSRAEGC-UONOGXRCSA-N 1 0 322.449 3.003 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(C2CCCC2)n1 ZINC000113270244 431339084 /nfs/dbraw/zinc/33/90/84/431339084.db2.gz MOZNWMYNUAUTQI-XJKSGUPXSA-N 1 0 305.491 3.469 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000072858106 431355087 /nfs/dbraw/zinc/35/50/87/431355087.db2.gz VUGXKIYRTGKJGD-LSDHHAIUSA-N 1 0 314.433 3.071 10 0 DGAERO CSc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000007817990 431364225 /nfs/dbraw/zinc/36/42/25/431364225.db2.gz DPQIBGFLDIBIHF-QGZVFWFLSA-N 1 0 314.454 3.441 10 0 DGAERO CC[C@@H](NC(=O)NCCC1CC[NH+](CC)CC1)c1nccs1 ZINC000074363957 431415891 /nfs/dbraw/zinc/41/58/91/431415891.db2.gz JXNDENQOIRQAFR-CQSZACIVSA-N 1 0 324.494 3.015 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccccc1F ZINC000114201733 431377413 /nfs/dbraw/zinc/37/74/13/431377413.db2.gz DBCSIZHQICCFJF-INIZCTEOSA-N 1 0 316.380 3.105 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccccc1F ZINC000114201730 431379548 /nfs/dbraw/zinc/37/95/48/431379548.db2.gz DBCSIZHQICCFJF-MRXNPFEDSA-N 1 0 316.380 3.105 10 0 DGAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CCCCC1 ZINC000008190467 431385021 /nfs/dbraw/zinc/38/50/21/431385021.db2.gz ULTDMGSCMRDGNX-OAHLLOKOSA-N 1 0 305.422 3.048 10 0 DGAERO Cc1cnn(CCCCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114484065 431392115 /nfs/dbraw/zinc/39/21/15/431392115.db2.gz XVAIIKNJDOPWLW-QGZVFWFLSA-N 1 0 301.438 3.312 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2c[nH]nc21 ZINC000073984125 431392212 /nfs/dbraw/zinc/39/22/12/431392212.db2.gz KXIBXWCJZAGILL-UHFFFAOYSA-N 1 0 320.396 3.411 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114521278 431395249 /nfs/dbraw/zinc/39/52/49/431395249.db2.gz BYKMSIOCPVJJDF-LJQANCHMSA-N 1 0 319.493 3.394 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C=C/c2ccccc2)C[C@@H]1CC ZINC000114719739 431407321 /nfs/dbraw/zinc/40/73/21/431407321.db2.gz YRUQDSZAEQIHIS-BLRBJFNZSA-N 1 0 302.462 3.133 10 0 DGAERO CCCN(CCC)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115695612 431469350 /nfs/dbraw/zinc/46/93/50/431469350.db2.gz LHRPFBLSJZLASY-UHFFFAOYSA-N 1 0 309.429 3.219 10 0 DGAERO Cc1cccc(C)c1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000011754671 431479745 /nfs/dbraw/zinc/47/97/45/431479745.db2.gz SDTZDMNUAIYFGZ-INIZCTEOSA-N 1 0 307.397 3.293 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)NCCC3CC[NH+](C)CC3)cc21 ZINC000116742907 431524138 /nfs/dbraw/zinc/52/41/38/431524138.db2.gz NJAJADJJMISURM-UHFFFAOYSA-N 1 0 317.408 3.077 10 0 DGAERO C[N@@H+](Cc1ccccc1OCC(F)(F)F)C[C@@H]1CCCO1 ZINC000075641395 431489003 /nfs/dbraw/zinc/48/90/03/431489003.db2.gz HOHXBKDIPZOCDF-ZDUSSCGKSA-N 1 0 303.324 3.239 10 0 DGAERO COc1cc(C[NH2+]Cc2sccc2C)cc2c1OCCO2 ZINC000075734713 431497229 /nfs/dbraw/zinc/49/72/29/431497229.db2.gz CJTLMIBKRGAHPP-UHFFFAOYSA-N 1 0 305.399 3.126 10 0 DGAERO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000075843402 431499085 /nfs/dbraw/zinc/49/90/85/431499085.db2.gz RDWNGLYZWVLWRA-XOKHGSTOSA-N 1 0 309.425 3.385 10 0 DGAERO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116291757 431499843 /nfs/dbraw/zinc/49/98/43/431499843.db2.gz XYVKJNXPURNPPW-DLBZAZTESA-N 1 0 315.413 3.473 10 0 DGAERO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116298775 431505459 /nfs/dbraw/zinc/50/54/59/431505459.db2.gz MOAKKYJFJYWLMB-DOTOQJQBSA-N 1 0 312.413 3.464 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3nc(C4CC4)no3)C2)cc1 ZINC000076390217 431544971 /nfs/dbraw/zinc/54/49/71/431544971.db2.gz VASALCOXQYEVBW-SWLSCSKDSA-N 1 0 313.401 3.334 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC000076490847 431552393 /nfs/dbraw/zinc/55/23/93/431552393.db2.gz OZPOWHXNJKGPTA-MVJVIOSPSA-N 1 0 318.505 3.392 10 0 DGAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000282485584 280040285 /nfs/dbraw/zinc/04/02/85/280040285.db2.gz VRCGCDSNCZTHSV-BEFAXECRSA-N 1 0 324.424 3.022 10 0 DGAERO CCOc1cc(C[NH2+]CCCOC)cc(Cl)c1OCC ZINC000013722447 431565912 /nfs/dbraw/zinc/56/59/12/431565912.db2.gz SZZRARHHAUAHKJ-UHFFFAOYSA-N 1 0 301.814 3.264 10 0 DGAERO Oc1ccc(C[C@@H](O)C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000013824029 431570691 /nfs/dbraw/zinc/57/06/91/431570691.db2.gz NJHGLBCRCUUJMU-HXUWFJFHSA-N 1 0 311.425 3.175 10 0 DGAERO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000013727871 431567392 /nfs/dbraw/zinc/56/73/92/431567392.db2.gz FAQSRXXCWXLWST-UHFFFAOYSA-N 1 0 316.376 3.188 10 0 DGAERO Cc1c(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cnn1C ZINC000163314073 280227436 /nfs/dbraw/zinc/22/74/36/280227436.db2.gz HDNFNOJQMWSMIU-OAHLLOKOSA-N 1 0 303.381 3.260 10 0 DGAERO CN(C)C(=O)C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000077409918 431593230 /nfs/dbraw/zinc/59/32/30/431593230.db2.gz BDMPPNSNTJMSET-UHFFFAOYSA-N 1 0 302.443 3.202 10 0 DGAERO Cc1cc(C)c(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)c1 ZINC000246536442 280393092 /nfs/dbraw/zinc/39/30/92/280393092.db2.gz VGDCTHRCWDZBQD-HZPDHXFCSA-N 1 0 303.450 3.462 10 0 DGAERO C[C@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CCS1 ZINC000077281959 431579083 /nfs/dbraw/zinc/57/90/83/431579083.db2.gz VAIZOUSZCOHELQ-NSHDSACASA-N 1 0 323.849 3.370 10 0 DGAERO COCCCC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000117882636 431583695 /nfs/dbraw/zinc/58/36/95/431583695.db2.gz XUDSEMVROIDCSQ-UHFFFAOYSA-N 1 0 302.462 3.188 10 0 DGAERO CC(C)[N@H+](CCC(=O)Nc1ccc(F)cc1)C1CCOCC1 ZINC000077322921 431584319 /nfs/dbraw/zinc/58/43/19/431584319.db2.gz QJQYPVCLZWDLLH-UHFFFAOYSA-N 1 0 308.397 3.044 10 0 DGAERO C[C@@H](CNC(=O)N1CC=C(c2cccs2)CC1)[N@H+](C)C1CC1 ZINC000118072142 431588909 /nfs/dbraw/zinc/58/89/09/431588909.db2.gz YUBDQBDKTCZCOM-ZDUSSCGKSA-N 1 0 319.474 3.030 10 0 DGAERO Cc1cc(C)c(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)c(C)c1 ZINC000077357013 431588935 /nfs/dbraw/zinc/58/89/35/431588935.db2.gz WEMLWTBFXAQVSG-UHFFFAOYSA-N 1 0 318.461 3.440 10 0 DGAERO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)c(SC)cc1OC ZINC000077988421 431631441 /nfs/dbraw/zinc/63/14/41/431631441.db2.gz UNPPYCREEWHOTR-WCQYABFASA-N 1 0 311.447 3.083 10 0 DGAERO CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)n1C ZINC000119056364 431639150 /nfs/dbraw/zinc/63/91/50/431639150.db2.gz QDNHGIRROSEKBH-DLBZAZTESA-N 1 0 312.461 3.269 10 0 DGAERO O=C1CC2(CC[NH+](CCc3ccccn3)CC2)Oc2ccccc21 ZINC000026736743 431678901 /nfs/dbraw/zinc/67/89/01/431678901.db2.gz YFZDJBNVNRXEMA-UHFFFAOYSA-N 1 0 322.408 3.124 10 0 DGAERO Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3C3CC3)CC2)n[nH]1 ZINC000439138572 280545131 /nfs/dbraw/zinc/54/51/31/280545131.db2.gz KJEMIGOBVVTXAC-IAGOWNOFSA-N 1 0 302.466 3.245 10 0 DGAERO CCC[NH+](CCC)CC[C@](CC(C)C)(C(N)=O)c1ccccn1 ZINC000027522794 431689551 /nfs/dbraw/zinc/68/95/51/431689551.db2.gz SPPIGOIJCGZTBM-LJQANCHMSA-N 1 0 319.493 3.363 10 0 DGAERO CCOc1c(F)cccc1C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000079681507 431740359 /nfs/dbraw/zinc/74/03/59/431740359.db2.gz ASHSCSGTSDUQCU-AWEZNQCLSA-N 1 0 324.440 3.465 10 0 DGAERO C[C@@H](C1CC1)[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000079961211 431753431 /nfs/dbraw/zinc/75/34/31/431753431.db2.gz BQBLXFVQVGTOPO-AAEUAGOBSA-N 1 0 318.383 3.050 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000079965825 431757037 /nfs/dbraw/zinc/75/70/37/431757037.db2.gz WLIBYRHISQWDNJ-LLVKDONJSA-N 1 0 321.490 3.322 10 0 DGAERO Cc1cn2c(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)c(C)nc2s1 ZINC000121266209 431763010 /nfs/dbraw/zinc/76/30/10/431763010.db2.gz DZQNSTATUPHZIJ-ZDUSSCGKSA-N 1 0 315.446 3.115 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1cccs1)C1CC1 ZINC000079253797 431718677 /nfs/dbraw/zinc/71/86/77/431718677.db2.gz ZAFCRSFHEQIWGE-ZDUSSCGKSA-N 1 0 309.479 3.152 10 0 DGAERO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079406629 431721547 /nfs/dbraw/zinc/72/15/47/431721547.db2.gz DMOANASVSVVGGZ-RDJZCZTQSA-N 1 0 318.461 3.385 10 0 DGAERO COc1cccc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1F ZINC000121462280 431789285 /nfs/dbraw/zinc/78/92/85/431789285.db2.gz JADCWGNYTXHIGH-UHFFFAOYSA-N 1 0 316.376 3.457 10 0 DGAERO CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000121556628 431799590 /nfs/dbraw/zinc/79/95/90/431799590.db2.gz YADUFPAOOYPVHP-ZDUSSCGKSA-N 1 0 310.413 3.134 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000121532233 431800441 /nfs/dbraw/zinc/80/04/41/431800441.db2.gz MHJARSRPLFPCRR-DZGCQCFKSA-N 1 0 322.424 3.276 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Br)cs1 ZINC000083683420 431812447 /nfs/dbraw/zinc/81/24/47/431812447.db2.gz LNGDNWLXNOTMMA-ZYHUDNBSSA-N 1 0 315.280 3.179 10 0 DGAERO CCOc1cc(C[NH2+]CCO)ccc1OCc1ccccc1C ZINC000033455911 431814994 /nfs/dbraw/zinc/81/49/94/431814994.db2.gz IJVSHXJIILCZED-UHFFFAOYSA-N 1 0 315.413 3.055 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc3ccccc3c2)n(C)n1 ZINC000121311986 431770394 /nfs/dbraw/zinc/77/03/94/431770394.db2.gz NCJLOIIPBCBTBV-CQSZACIVSA-N 1 0 322.412 3.171 10 0 DGAERO C[N@H+](CCC(=O)Nc1ccccc1F)Cc1ccc(Cl)nc1 ZINC000080910558 431779596 /nfs/dbraw/zinc/77/95/96/431779596.db2.gz UXFKSWCOKFNVCV-UHFFFAOYSA-N 1 0 321.783 3.335 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3s2)CC[N@@H+]1C ZINC000122850200 431846422 /nfs/dbraw/zinc/84/64/22/431846422.db2.gz RMNSVZVVZBSNCI-JSGCOSHPSA-N 1 0 302.443 3.456 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cnc3c(C)cccn23)C1 ZINC000122910670 431849120 /nfs/dbraw/zinc/84/91/20/431849120.db2.gz OVMOUESWOYHMSQ-INIZCTEOSA-N 1 0 323.444 3.239 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccc(-c3nccs3)cc2)CC1 ZINC000037764367 431850075 /nfs/dbraw/zinc/85/00/75/431850075.db2.gz NGQSWTRXLVDZLP-UHFFFAOYSA-N 1 0 301.415 3.266 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1F ZINC000087134290 431850854 /nfs/dbraw/zinc/85/08/54/431850854.db2.gz RGPBPYQSXPBYHA-UKRRQHHQSA-N 1 0 321.440 3.226 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1cccs1 ZINC000037890119 431851187 /nfs/dbraw/zinc/85/11/87/431851187.db2.gz ATLLYZFZZCGAIB-NWDGAFQWSA-N 1 0 311.834 3.492 10 0 DGAERO Clc1ccccc1OCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917783 431851884 /nfs/dbraw/zinc/85/18/84/431851884.db2.gz GSKSYABLVQQYGR-ZBFHGGJFSA-N 1 0 308.853 3.183 10 0 DGAERO COC(=O)c1sccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000123149790 431856837 /nfs/dbraw/zinc/85/68/37/431856837.db2.gz ZMPLYMFJNPISLH-UHFFFAOYSA-N 1 0 324.490 3.089 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000089160312 431860366 /nfs/dbraw/zinc/86/03/66/431860366.db2.gz LVFJJTKREKVYTO-XCAIRMDXSA-N 1 0 324.262 3.446 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2)CCN1C ZINC000123276101 431860396 /nfs/dbraw/zinc/86/03/96/431860396.db2.gz RBUZJBNIIXIQMM-SWLSCSKDSA-N 1 0 311.267 3.364 10 0 DGAERO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000089640631 431873631 /nfs/dbraw/zinc/87/36/31/431873631.db2.gz MNPPPBPNHGLKRX-SUMWQHHRSA-N 1 0 314.454 3.391 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn(-c2ccccc2)nc1C ZINC000123376562 431863066 /nfs/dbraw/zinc/86/30/66/431863066.db2.gz GGHXKWFJJMZSHR-IBGZPJMESA-N 1 0 312.461 3.097 10 0 DGAERO CC(C)c1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123423348 431864849 /nfs/dbraw/zinc/86/48/49/431864849.db2.gz OLVVRFAVMLMHCU-YJBOKZPZSA-N 1 0 317.477 3.163 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(OCCCOC)c1 ZINC000123457236 431865607 /nfs/dbraw/zinc/86/56/07/431865607.db2.gz LCFZJRNIKVXNFF-GOSISDBHSA-N 1 0 320.477 3.018 10 0 DGAERO Cc1ccc(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1O ZINC000089435275 431866291 /nfs/dbraw/zinc/86/62/91/431866291.db2.gz VXFAMADWHLMIRK-UHFFFAOYSA-N 1 0 324.424 3.478 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H]1CCSc2c(F)cccc21)[NH+](C)C ZINC000123499674 431866583 /nfs/dbraw/zinc/86/65/83/431866583.db2.gz SEYQTMAPLLLTFQ-KGLIPLIRSA-N 1 0 310.438 3.209 10 0 DGAERO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC1CCCCC1 ZINC000043466467 431868492 /nfs/dbraw/zinc/86/84/92/431868492.db2.gz LKBCHXLSHDHIST-INIZCTEOSA-N 1 0 319.449 3.439 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)c1scnc1C1CC1)c1cccs1 ZINC000089596445 431871133 /nfs/dbraw/zinc/87/11/33/431871133.db2.gz MZXSRQZVFLDNMQ-NSHDSACASA-N 1 0 321.471 3.115 10 0 DGAERO Cc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1C(F)(F)F ZINC000044270581 431872365 /nfs/dbraw/zinc/87/23/65/431872365.db2.gz VEYVYWYJGWXONN-UHFFFAOYSA-N 1 0 300.324 3.470 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)c1ccc(Br)s1 ZINC000084228313 431820004 /nfs/dbraw/zinc/82/00/04/431820004.db2.gz HLVQLWNFCRLFDK-GUBZILKMSA-N 1 0 304.253 3.322 10 0 DGAERO CC(C)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000122260865 431822718 /nfs/dbraw/zinc/82/27/18/431822718.db2.gz PGZHLEMXIPFQCS-AYHJJNSGSA-N 1 0 315.461 3.232 10 0 DGAERO CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000085367105 431839076 /nfs/dbraw/zinc/83/90/76/431839076.db2.gz XBZNMXVUMCHACM-LSDHHAIUSA-N 1 0 320.481 3.150 10 0 DGAERO COc1cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)cc2c1OCCO2 ZINC000092009512 431907735 /nfs/dbraw/zinc/90/77/35/431907735.db2.gz MIIFYAPGXWEPES-LBPRGKRZSA-N 1 0 303.402 3.229 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2sccc2C)[C@H](C)C1 ZINC000125194754 431917385 /nfs/dbraw/zinc/91/73/85/431917385.db2.gz HOVAGRNTFLRQJF-QXSJWSMHSA-N 1 0 320.502 3.349 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1ccc(Cl)s1 ZINC000047943433 431917618 /nfs/dbraw/zinc/91/76/18/431917618.db2.gz XRNURUQVJGQIHB-ZJUUUORDSA-N 1 0 300.855 3.499 10 0 DGAERO CCCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000125290351 431920264 /nfs/dbraw/zinc/92/02/64/431920264.db2.gz IQIBRQRKKOQFIU-ZBFHGGJFSA-N 1 0 319.449 3.422 10 0 DGAERO [NH3+]CC1CCC2(CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000095077535 431921281 /nfs/dbraw/zinc/92/12/81/431921281.db2.gz NYVOLEAQJYCVMF-UHFFFAOYSA-N 1 0 302.418 3.164 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1 ZINC000095089204 431922278 /nfs/dbraw/zinc/92/22/78/431922278.db2.gz WQYNZBOJGYADEO-ZIAGYGMSSA-N 1 0 307.438 3.312 10 0 DGAERO C[C@H]([NH2+]CCN1C(=O)CCC1=O)c1ccc(-c2ccccc2)cc1 ZINC000089683929 431874495 /nfs/dbraw/zinc/87/44/95/431874495.db2.gz OLLIIXHAPUWZMH-HNNXBMFYSA-N 1 0 322.408 3.153 10 0 DGAERO Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000089732882 431876039 /nfs/dbraw/zinc/87/60/39/431876039.db2.gz SNKMTLBNKGUQHB-IEBWSBKVSA-N 1 0 324.472 3.365 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123967299 431879430 /nfs/dbraw/zinc/87/94/30/431879430.db2.gz WVCKUSROMUKIRZ-WBVHZDCISA-N 1 0 302.462 3.196 10 0 DGAERO Cc1ncccc1C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000089802616 431879822 /nfs/dbraw/zinc/87/98/22/431879822.db2.gz YSEDAQKIPNGXDD-UHFFFAOYSA-N 1 0 318.367 3.464 10 0 DGAERO O=C(c1scnc1C1CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000089813053 431880792 /nfs/dbraw/zinc/88/07/92/431880792.db2.gz ZIBQIOFOJADLJZ-AWEZNQCLSA-N 1 0 319.474 3.111 10 0 DGAERO Cc1cnn(CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000124088578 431882873 /nfs/dbraw/zinc/88/28/73/431882873.db2.gz BLTULKGUAIGHOD-HNNXBMFYSA-N 1 0 305.809 3.348 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000124088338 431883053 /nfs/dbraw/zinc/88/30/53/431883053.db2.gz BLTULKGUAIGHOD-OAHLLOKOSA-N 1 0 305.809 3.348 10 0 DGAERO c1ccc(CC[C@H]2CCCC[N@H+]2CCCN2CCOCC2)cc1 ZINC000090010515 431887961 /nfs/dbraw/zinc/88/79/61/431887961.db2.gz IGRSQEVTWFGOPP-HXUWFJFHSA-N 1 0 316.489 3.196 10 0 DGAERO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC000124359867 431891947 /nfs/dbraw/zinc/89/19/47/431891947.db2.gz RMNRVKJRZQGLEX-ALOPSCKCSA-N 1 0 324.428 3.093 10 0 DGAERO O[C@]1(C(F)(F)F)CC[N@H+](CCCSCc2ccccc2)C1 ZINC000090551896 431892406 /nfs/dbraw/zinc/89/24/06/431892406.db2.gz SSQHXEHZHIIHEP-CQSZACIVSA-N 1 0 319.392 3.309 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](CCC3OCCO3)C2)n1 ZINC000124423792 431893274 /nfs/dbraw/zinc/89/32/74/431893274.db2.gz AQYURCGXNRJWMH-ZDUSSCGKSA-N 1 0 310.463 3.209 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000124457774 431894479 /nfs/dbraw/zinc/89/44/79/431894479.db2.gz HBJAFQSTYREAMO-CVEARBPZSA-N 1 0 319.449 3.247 10 0 DGAERO COc1cc([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)ccc1F ZINC000090851266 431896382 /nfs/dbraw/zinc/89/63/82/431896382.db2.gz ZRWPECVIDFQXQZ-GFCCVEGCSA-N 1 0 303.381 3.146 10 0 DGAERO CCOC(=O)c1sc2ccccc2c1OC1CC[NH2+]CC1 ZINC000095595679 431925843 /nfs/dbraw/zinc/92/58/43/431925843.db2.gz SJGNCSDGZZSPDL-UHFFFAOYSA-N 1 0 305.399 3.209 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCc2ccccc21 ZINC000090937975 431897614 /nfs/dbraw/zinc/89/76/14/431897614.db2.gz KOPJIJMNJLWWFF-IFXJQAMLSA-N 1 0 319.408 3.062 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccccc1 ZINC000090938235 431898647 /nfs/dbraw/zinc/89/86/47/431898647.db2.gz IDZFHDGPAWIMBO-HUUCEWRRSA-N 1 0 307.397 3.136 10 0 DGAERO CCCN(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124635469 431899987 /nfs/dbraw/zinc/89/99/87/431899987.db2.gz HUPSASAKHSNXCH-CRAIPNDOSA-N 1 0 317.477 3.088 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000124762942 431903559 /nfs/dbraw/zinc/90/35/59/431903559.db2.gz MFQFJWWXMVLFID-KBXCAEBGSA-N 1 0 300.446 3.120 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)ccc1Br ZINC000091470220 431905547 /nfs/dbraw/zinc/90/55/47/431905547.db2.gz XDZRSQCPZOGENG-ZFWWWQNUSA-N 1 0 312.251 3.398 10 0 DGAERO C[C@@H](CC[NH+](C)C)NCc1ccc(Br)c(F)c1 ZINC000127430401 431971829 /nfs/dbraw/zinc/97/18/29/431971829.db2.gz CYRDUQDRIPBTMY-JTQLQIEISA-N 1 0 303.219 3.018 10 0 DGAERO CC[C@@H]([NH2+]CCCCOCc1ccccc1)c1cnn(C)c1 ZINC000127439982 431972149 /nfs/dbraw/zinc/97/21/49/431972149.db2.gz XCEUGGGFGPHLKP-GOSISDBHSA-N 1 0 301.434 3.458 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)Cc1nc(N)c2ccccc2n1 ZINC000055023947 431975477 /nfs/dbraw/zinc/97/54/77/431975477.db2.gz LBTCXMSIYXBIFV-UHFFFAOYSA-N 1 0 310.376 3.026 10 0 DGAERO C[C@@H]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000098032531 431976131 /nfs/dbraw/zinc/97/61/31/431976131.db2.gz JUEJKZHUPVWPJW-HZPDHXFCSA-N 1 0 307.482 3.083 10 0 DGAERO Cc1cc(C)cc(CCC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000127733799 431979616 /nfs/dbraw/zinc/97/96/16/431979616.db2.gz MIXJCSDIBUYQSE-UHFFFAOYSA-N 1 0 314.473 3.323 10 0 DGAERO O[C@@H](CNc1nc(-c2ccccc2)cs1)C[NH+]1CCCCC1 ZINC000125538863 431928995 /nfs/dbraw/zinc/92/89/95/431928995.db2.gz OTTNPZCXAGIIMP-HNNXBMFYSA-N 1 0 317.458 3.069 10 0 DGAERO CC[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Cl)s1 ZINC000125782523 431936357 /nfs/dbraw/zinc/93/63/57/431936357.db2.gz WHZZWNZJKNLIKA-SMDDNHRTSA-N 1 0 303.855 3.231 10 0 DGAERO Brc1ccc(OCC[N@@H+]2CCCSCC2)cc1 ZINC000049595672 431942218 /nfs/dbraw/zinc/94/22/18/431942218.db2.gz UNZSPMYETKFJJP-UHFFFAOYSA-N 1 0 316.264 3.267 10 0 DGAERO Cc1ccc(NC(=O)c2ccccc2OCC[NH+](C)C)c(F)c1 ZINC000049974031 431945500 /nfs/dbraw/zinc/94/55/00/431945500.db2.gz JWIQBKWDAKGHOB-UHFFFAOYSA-N 1 0 316.376 3.327 10 0 DGAERO Cc1cc(N2CC[C@H](c3cnn(C)c3)C2)c2cc(F)ccc2[nH+]1 ZINC000126439810 431950841 /nfs/dbraw/zinc/95/08/41/431950841.db2.gz WNXAEGBSECSHRV-ZDUSSCGKSA-N 1 0 310.376 3.410 10 0 DGAERO CCC(=O)N1CC[C@@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000126541791 431952552 /nfs/dbraw/zinc/95/25/52/431952552.db2.gz VAJWKUKCCTVSEZ-HIFRSBDPSA-N 1 0 320.408 3.028 10 0 DGAERO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)Nc1ccccc1Cl ZINC000051996990 431953977 /nfs/dbraw/zinc/95/39/77/431953977.db2.gz ZJEBSIOEDOTRER-JKSUJKDBSA-N 1 0 322.836 3.312 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(I)cc1 ZINC000052274087 431955242 /nfs/dbraw/zinc/95/52/42/431955242.db2.gz QWIPRRGARJJWLY-AUTRQRHGSA-N 1 0 301.171 3.350 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)CCCc1cccs1)c1ccccc1 ZINC000052555327 431956435 /nfs/dbraw/zinc/95/64/35/431956435.db2.gz DUAIECDEGZWHQJ-KRWDZBQOSA-N 1 0 316.470 3.490 10 0 DGAERO COc1ccc(C[N@H+](CC(=O)NC(C)(C)C)[C@H](C)C2CC2)cc1 ZINC000053097835 431960347 /nfs/dbraw/zinc/96/03/47/431960347.db2.gz CKFLNKWZGDEFQR-CQSZACIVSA-N 1 0 318.461 3.210 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000054324941 431969967 /nfs/dbraw/zinc/96/99/67/431969967.db2.gz UEOQGKFHJFDYOG-MRXNPFEDSA-N 1 0 312.498 3.157 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000054322526 431970046 /nfs/dbraw/zinc/97/00/46/431970046.db2.gz DNXPNJQTLRNGLO-JFIYKMOQSA-N 1 0 324.509 3.207 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2cc3ccc(Cl)cc3[nH]2)CC[N@@H+]1C ZINC000127885059 431982824 /nfs/dbraw/zinc/98/28/24/431982824.db2.gz JYXGTXRQQRNNBM-SMDDNHRTSA-N 1 0 319.836 3.376 10 0 DGAERO CC[C@H]1CCC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000077856612 281085648 /nfs/dbraw/zinc/08/56/48/281085648.db2.gz WNHYUNHVQMZVEL-HOTGVXAUSA-N 1 0 307.482 3.225 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCc2nccs2)cc1NC(C)=O ZINC000127955179 431984647 /nfs/dbraw/zinc/98/46/47/431984647.db2.gz GITCCSJVMLXFOG-NSHDSACASA-N 1 0 319.430 3.003 10 0 DGAERO COc1cc(C[NH2+]C[C@@H](C)SC)cc(Br)c1O ZINC000128010119 431985487 /nfs/dbraw/zinc/98/54/87/431985487.db2.gz XGDMNWIRDZQPHN-MRVPVSSYSA-N 1 0 320.252 3.004 10 0 DGAERO CCN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000101566220 431986018 /nfs/dbraw/zinc/98/60/18/431986018.db2.gz AWMHZOXKIPELCM-HNNXBMFYSA-N 1 0 306.450 3.001 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](CCSc2ccccc2F)C1 ZINC000101564699 431986470 /nfs/dbraw/zinc/98/64/70/431986470.db2.gz LABRKGLUYHHJSF-AWEZNQCLSA-N 1 0 324.465 3.299 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)c(Cl)c1 ZINC000174979598 281191838 /nfs/dbraw/zinc/19/18/38/281191838.db2.gz RDWXUUXEZQMSMP-LSDHHAIUSA-N 1 0 306.837 3.347 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)NC2CCCCC2)[NH+]2CCCC2)o1 ZINC000101763328 431988500 /nfs/dbraw/zinc/98/85/00/431988500.db2.gz CGPPCBZURVSFEY-MRXNPFEDSA-N 1 0 319.449 3.357 10 0 DGAERO CSc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000056944492 431989596 /nfs/dbraw/zinc/98/95/96/431989596.db2.gz VZSXFOMATBBZFJ-AWEZNQCLSA-N 1 0 321.490 3.082 10 0 DGAERO OCCn1nccc1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000128207478 431989650 /nfs/dbraw/zinc/98/96/50/431989650.db2.gz JSBWHIGWVMCGCZ-UHFFFAOYSA-N 1 0 305.466 3.025 10 0 DGAERO CC[NH+](CC)[C@H](C)CNCc1ccc(Br)s1 ZINC000128222287 431989955 /nfs/dbraw/zinc/98/99/55/431989955.db2.gz ZJOSDXGINHZAMI-SNVBAGLBSA-N 1 0 305.285 3.331 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3c2cccc3Cl)C1 ZINC000056904258 431989959 /nfs/dbraw/zinc/98/99/59/431989959.db2.gz PDTALMARIMZFJT-BLLLJJGKSA-N 1 0 321.852 3.111 10 0 DGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000159150263 281355953 /nfs/dbraw/zinc/35/59/53/281355953.db2.gz MQVDTMMNFYTSRO-APWZRJJASA-N 1 0 310.441 3.345 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2F)[C@H]1c1ccccc1 ZINC000248128134 432269905 /nfs/dbraw/zinc/26/99/05/432269905.db2.gz VZHQPKRBPWKZJI-NVXWUHKLSA-N 1 0 316.351 3.140 10 0 DGAERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000248139920 432270660 /nfs/dbraw/zinc/27/06/60/432270660.db2.gz YEUWNTGPARTBCE-ZBFHGGJFSA-N 1 0 300.427 3.232 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(Cc3nc(C(C)(C)C)cs3)CC[C@H]21 ZINC000248145931 432271617 /nfs/dbraw/zinc/27/16/17/432271617.db2.gz QDFQZRGXPFNSOK-UONOGXRCSA-N 1 0 307.507 3.357 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(C(C)C)cs1 ZINC000173330061 432271954 /nfs/dbraw/zinc/27/19/54/432271954.db2.gz AFEUNFSGLVEWFD-QWHCGFSZSA-N 1 0 322.478 3.357 10 0 DGAERO CCOc1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCCO3)co2)cc1 ZINC000183234447 432272104 /nfs/dbraw/zinc/27/21/04/432272104.db2.gz GFKUAHYGYHQZAW-CXAGYDPISA-N 1 0 316.401 3.397 10 0 DGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000151737907 432272292 /nfs/dbraw/zinc/27/22/92/432272292.db2.gz RDAOAPCLFZXJNT-HNNXBMFYSA-N 1 0 324.415 3.230 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(Cc3coc(-c4ccccc4)n3)CC[C@H]21 ZINC000248162600 432272455 /nfs/dbraw/zinc/27/24/55/432272455.db2.gz SJFSBPVRJGNVMW-FUHWJXTLSA-N 1 0 311.429 3.258 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(F)c(F)c1 ZINC000173315305 432272457 /nfs/dbraw/zinc/27/24/57/432272457.db2.gz MNKVUQXWYSCPFD-GFCCVEGCSA-N 1 0 314.339 3.396 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]CCn1cc(C)cn1)CCS2 ZINC000191527294 432274916 /nfs/dbraw/zinc/27/49/16/432274916.db2.gz PEHMZELJXMZFKJ-OAHLLOKOSA-N 1 0 303.431 3.027 10 0 DGAERO Cc1nc2cc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2o1 ZINC000248215857 432275486 /nfs/dbraw/zinc/27/54/86/432275486.db2.gz ZQOXJYGJTWNFTN-SMDDNHRTSA-N 1 0 316.405 3.083 10 0 DGAERO CCC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)OCC ZINC000173838300 432303331 /nfs/dbraw/zinc/30/33/31/432303331.db2.gz ZHSZNSSTOREJFL-GOSISDBHSA-N 1 0 318.461 3.104 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCCCCC2CCCC2)CC[N@@H+]1C ZINC000173462445 432280809 /nfs/dbraw/zinc/28/08/09/432280809.db2.gz NDFJTPPRKGDVQV-NVXWUHKLSA-N 1 0 309.498 3.471 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2nc3ccccc3n2C(F)F)CC[N@@H+]1C ZINC000173528529 432284285 /nfs/dbraw/zinc/28/42/85/432284285.db2.gz LMHMBHCAAGFOSW-CHWSQXEVSA-N 1 0 322.403 3.346 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)[C@@H]2CCCO[C@H]21 ZINC000248402907 432286456 /nfs/dbraw/zinc/28/64/56/432286456.db2.gz WPFQHNNIPPDMAG-QXAKKESOSA-N 1 0 323.440 3.437 10 0 DGAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000183405550 432289732 /nfs/dbraw/zinc/28/97/32/432289732.db2.gz TVGAVCVHJCJROT-XHDPSFHLSA-N 1 0 319.417 3.075 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248441183 432292430 /nfs/dbraw/zinc/29/24/30/432292430.db2.gz UZUKYYLYHMEGNM-OFQRWUPVSA-N 1 0 302.418 3.144 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000173650568 432293761 /nfs/dbraw/zinc/29/37/61/432293761.db2.gz UXRBGLGOEXXIKE-APWZRJJASA-N 1 0 323.440 3.314 10 0 DGAERO CN(C(=O)Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173704955 432293878 /nfs/dbraw/zinc/29/38/78/432293878.db2.gz XAFMQHODPVWAGQ-FQEVSTJZSA-N 1 0 322.452 3.352 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)c1 ZINC000248454243 432294080 /nfs/dbraw/zinc/29/40/80/432294080.db2.gz KEZDQKBOKZPOOJ-IEBWSBKVSA-N 1 0 308.425 3.319 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2sc(C3CCCC3)nc2C)C1 ZINC000173709769 432294416 /nfs/dbraw/zinc/29/44/16/432294416.db2.gz BAMBYSFVDSOOAB-CYBMUJFWSA-N 1 0 321.490 3.181 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000248477187 432295674 /nfs/dbraw/zinc/29/56/74/432295674.db2.gz YOPGLIHNJJCDBP-BHIYHBOVSA-N 1 0 314.473 3.451 10 0 DGAERO C[NH+](C)C[C@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000173744796 432298320 /nfs/dbraw/zinc/29/83/20/432298320.db2.gz SNKYBTXYKOGSAX-CYBMUJFWSA-N 1 0 319.836 3.379 10 0 DGAERO Cc1ccc(C(=O)CC[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000248546890 432299915 /nfs/dbraw/zinc/29/99/15/432299915.db2.gz FWVSOJKNDNVPFW-WMZOPIPTSA-N 1 0 311.429 3.347 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)CC2(O)CCCC2)cc1 ZINC000152056138 432300254 /nfs/dbraw/zinc/30/02/54/432300254.db2.gz RFWIRJSJYDDGEP-UHFFFAOYSA-N 1 0 322.474 3.197 10 0 DGAERO COc1c(C)cnc(CN(C)C(=O)NC2CCCCC2)c1C ZINC000058482818 431996607 /nfs/dbraw/zinc/99/66/07/431996607.db2.gz LVFBEEHPRRRPDI-UHFFFAOYSA-N 1 0 305.422 3.181 10 0 DGAERO CSCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060548615 431999997 /nfs/dbraw/zinc/99/99/97/431999997.db2.gz XWJCBZHLSWYLIZ-OAHLLOKOSA-N 1 0 320.502 3.288 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000061327919 432001595 /nfs/dbraw/zinc/00/15/95/432001595.db2.gz PHODBZHPPPLKCK-OAHLLOKOSA-N 1 0 306.475 3.362 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000183126572 432261081 /nfs/dbraw/zinc/26/10/81/432261081.db2.gz CTAZVEZLYGMLOC-ZANVPECISA-N 1 0 317.216 3.089 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000183127519 432261541 /nfs/dbraw/zinc/26/15/41/432261541.db2.gz FDNOKGAGJFNOCA-QWQRMKEZSA-N 1 0 312.413 3.324 10 0 DGAERO CSCCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248033267 432262778 /nfs/dbraw/zinc/26/27/78/432262778.db2.gz KRVXECPACBYXEJ-DOTOQJQBSA-N 1 0 306.475 3.081 10 0 DGAERO C[C@@H]1CC[C@H](C)N1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248026901 432263389 /nfs/dbraw/zinc/26/33/89/432263389.db2.gz JSQLBRXGQKKFFO-FSDCSDTHSA-N 1 0 301.434 3.014 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000183148563 432263591 /nfs/dbraw/zinc/26/35/91/432263591.db2.gz SCQDARJPFHNCPE-MSOLQXFVSA-N 1 0 309.413 3.318 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000183148546 432263844 /nfs/dbraw/zinc/26/38/44/432263844.db2.gz SCQDARJPFHNCPE-ROUUACIJSA-N 1 0 309.413 3.318 10 0 DGAERO C[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248026912 432264145 /nfs/dbraw/zinc/26/41/45/432264145.db2.gz JSQLBRXGQKKFFO-WTTBNOFXSA-N 1 0 301.434 3.014 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2CCCCCC2)[C@H]1c1ccccc1 ZINC000248071457 432266278 /nfs/dbraw/zinc/26/62/78/432266278.db2.gz QLVVIDHKHPQXHU-DLBZAZTESA-N 1 0 301.434 3.017 10 0 DGAERO Cc1ccc(C)c(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248065713 432267407 /nfs/dbraw/zinc/26/74/07/432267407.db2.gz PTCJDQRICATBMV-FPOVZHCZSA-N 1 0 322.452 3.408 10 0 DGAERO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000183205343 432268389 /nfs/dbraw/zinc/26/83/89/432268389.db2.gz MZKOBMOXKPOWEW-ZFWWWQNUSA-N 1 0 321.490 3.087 10 0 DGAERO COc1cc(C[N@H+](C)[C@H](C)c2cccnc2)cc2c1OCCO2 ZINC000183725771 432320630 /nfs/dbraw/zinc/32/06/30/432320630.db2.gz VTLOUJWOLXDMKX-CYBMUJFWSA-N 1 0 314.385 3.054 10 0 DGAERO CSCc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1F ZINC000174111701 432321201 /nfs/dbraw/zinc/32/12/01/432321201.db2.gz USCLPXLLJZHIBI-CYBMUJFWSA-N 1 0 324.465 3.150 10 0 DGAERO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000174148002 432324532 /nfs/dbraw/zinc/32/45/32/432324532.db2.gz MKTHEMGPIMFESY-OAHLLOKOSA-N 1 0 320.502 3.405 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCC(CC)CC2)C1 ZINC000174142848 432324597 /nfs/dbraw/zinc/32/45/97/432324597.db2.gz MBJIBMKSUAENAA-AQFXKWCLSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)[C@H]1CO ZINC000248869740 432324850 /nfs/dbraw/zinc/32/48/50/432324850.db2.gz BLDUQMLALICMDX-FZMZJTMJSA-N 1 0 306.793 3.198 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc2c(c1)OCCCO2 ZINC000248866187 432325482 /nfs/dbraw/zinc/32/54/82/432325482.db2.gz QCWZFAMUUQNEOR-QANKJYHBSA-N 1 0 317.429 3.456 10 0 DGAERO COCCN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)cn1 ZINC000248886871 432328017 /nfs/dbraw/zinc/32/80/17/432328017.db2.gz RDLFFMCDLKKEJX-INIZCTEOSA-N 1 0 315.417 3.094 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@@H]2CCCC[C@@H]21 ZINC000248919780 432328822 /nfs/dbraw/zinc/32/88/22/432328822.db2.gz DWGKUNQNAIMXKK-SRCQZFHVSA-N 1 0 300.406 3.086 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)ccc1F ZINC000174196293 432329521 /nfs/dbraw/zinc/32/95/21/432329521.db2.gz XKZJYPMWWHNAIQ-GXTWGEPZSA-N 1 0 320.387 3.018 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2c(C)noc2C)C12CCOCC2 ZINC000249022701 432333760 /nfs/dbraw/zinc/33/37/60/432333760.db2.gz QWTFCISRKNKWNW-BZUAXINKSA-N 1 0 322.449 3.306 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000174311143 432335280 /nfs/dbraw/zinc/33/52/80/432335280.db2.gz JRRISWKUOLCVMP-GDBMZVCRSA-N 1 0 321.852 3.111 10 0 DGAERO Cn1nccc1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192165817 432337777 /nfs/dbraw/zinc/33/77/77/432337777.db2.gz SOXURQXAXONUHQ-UHFFFAOYSA-N 1 0 314.614 3.126 10 0 DGAERO FC(F)c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000183952649 432337950 /nfs/dbraw/zinc/33/79/50/432337950.db2.gz QZKBNEOTUCVUMT-KRWDZBQOSA-N 1 0 324.415 3.311 10 0 DGAERO c1nc(CN2CC[C@H](Oc3cccnc3)C2)oc1-c1ccccc1 ZINC000152541100 432339311 /nfs/dbraw/zinc/33/93/11/432339311.db2.gz PNVTZZSRHZIQEI-KRWDZBQOSA-N 1 0 321.380 3.390 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccncc1 ZINC000152533538 432339714 /nfs/dbraw/zinc/33/97/14/432339714.db2.gz YBIIYACWDMFPDJ-BXWFABGCSA-N 1 0 310.445 3.038 10 0 DGAERO C[NH+](C)CCn1ccc2ccc(NC(=O)Cc3ccccc3)cc21 ZINC000174370351 432340391 /nfs/dbraw/zinc/34/03/91/432340391.db2.gz QJVJZKMJMRGQBY-UHFFFAOYSA-N 1 0 321.424 3.384 10 0 DGAERO CC(=O)N1CCC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000249173621 432341200 /nfs/dbraw/zinc/34/12/00/432341200.db2.gz CYPGDXPLFVHTJW-OALUTQOASA-N 1 0 300.446 3.051 10 0 DGAERO CCCn1cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cn1 ZINC000174391666 432343105 /nfs/dbraw/zinc/34/31/05/432343105.db2.gz NDRLRATYNMKCFU-UHFFFAOYSA-N 1 0 317.408 3.228 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccoc1Cl ZINC000249245474 432343184 /nfs/dbraw/zinc/34/31/84/432343184.db2.gz DWINXMDBQMPDTI-SWLSCSKDSA-N 1 0 318.804 3.183 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1C ZINC000249231522 432343485 /nfs/dbraw/zinc/34/34/85/432343485.db2.gz VOYPKVUONCSXOC-GXTWGEPZSA-N 1 0 305.447 3.005 10 0 DGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1cccc(-n2ccnc2)c1 ZINC000249286972 432344914 /nfs/dbraw/zinc/34/49/14/432344914.db2.gz LUHGARSGVSARET-PNHOKKKMSA-N 1 0 319.408 3.181 10 0 DGAERO CC[C@@H]1CN(c2ccccc2)CCN1Cc1nc(C(C)C)no1 ZINC000184022090 432345336 /nfs/dbraw/zinc/34/53/36/432345336.db2.gz YMPYYLWXJRXLTR-OAHLLOKOSA-N 1 0 314.433 3.294 10 0 DGAERO CCc1nc2c(s1)[C@@H](N(C)CC(=O)NC(C)(C)CC)CCC2 ZINC000152662071 432347522 /nfs/dbraw/zinc/34/75/22/432347522.db2.gz GOMBPNPWBLROGL-ZDUSSCGKSA-N 1 0 323.506 3.320 10 0 DGAERO CCc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000174459432 432349085 /nfs/dbraw/zinc/34/90/85/432349085.db2.gz SREHKCJUWRDWBF-ALOPSCKCSA-N 1 0 301.434 3.386 10 0 DGAERO CC[N@H+](C[C@H](C)Cc1ccccc1)[C@H](C)CS(=O)(=O)CC ZINC000249463795 432349296 /nfs/dbraw/zinc/34/92/96/432349296.db2.gz RPPABPXJALIWJE-HZPDHXFCSA-N 1 0 311.491 3.010 10 0 DGAERO Cc1nc(C[N@@H+]2C[C@@H](CO)[C@@H](c3ccsc3)C2)sc1C ZINC000249560472 432351879 /nfs/dbraw/zinc/35/18/79/432351879.db2.gz LLRSJEPTHNPTRY-UONOGXRCSA-N 1 0 308.472 3.029 10 0 DGAERO Fc1ccc(CC[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1F ZINC000152102684 432305367 /nfs/dbraw/zinc/30/53/67/432305367.db2.gz FWYZEEFLAXQKTB-OAHLLOKOSA-N 1 0 317.383 3.336 10 0 DGAERO CCC[C@@H]1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCO1 ZINC000248608415 432305673 /nfs/dbraw/zinc/30/56/73/432305673.db2.gz VTGULLXXUYAKLH-XWTMOSNGSA-N 1 0 322.493 3.055 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCC(Cl)(Cl)Cl)CC2 ZINC000248609571 432305944 /nfs/dbraw/zinc/30/59/44/432305944.db2.gz HKAUYXKIPPEXGU-GHMZBOCLSA-N 1 0 300.657 3.374 10 0 DGAERO CCC[C@@H](CCc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173912922 432306380 /nfs/dbraw/zinc/30/63/80/432306380.db2.gz YQNCDKHGOWKJFJ-ZWKOTPCHSA-N 1 0 317.477 3.133 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2ccccc2)CC[N@@H+]1C ZINC000173917151 432307591 /nfs/dbraw/zinc/30/75/91/432307591.db2.gz WNBGCVICKMXTCK-DOTOQJQBSA-N 1 0 317.477 3.088 10 0 DGAERO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000248626707 432307802 /nfs/dbraw/zinc/30/78/02/432307802.db2.gz PQPOVDIIJMLALE-CJNGLKHVSA-N 1 0 313.376 3.414 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174535017 432354772 /nfs/dbraw/zinc/35/47/72/432354772.db2.gz DCCNEZJZWBTQHX-IEBWSBKVSA-N 1 0 314.473 3.200 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000248638940 432310183 /nfs/dbraw/zinc/31/01/83/432310183.db2.gz MNZQWKHWOOFNRD-ZOWXZIJZSA-N 1 0 313.488 3.462 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)nc1C ZINC000248650886 432310275 /nfs/dbraw/zinc/31/02/75/432310275.db2.gz MOQKKHXMXADLBO-STQMWFEESA-N 1 0 322.840 3.134 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@H](CO)C(C)(C)C)s1 ZINC000183616341 432310366 /nfs/dbraw/zinc/31/03/66/432310366.db2.gz ZFDXVYVQSIGQEI-SNVBAGLBSA-N 1 0 310.385 3.309 10 0 DGAERO Cc1c[nH+]ccc1N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248675112 432310829 /nfs/dbraw/zinc/31/08/29/432310829.db2.gz XTQLFGWQNBSBRY-RRFJBIMHSA-N 1 0 317.433 3.130 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1nc2cc(F)ccc2o1 ZINC000152181043 432311578 /nfs/dbraw/zinc/31/15/78/432311578.db2.gz XKAUXGWXNJAYNX-KGLIPLIRSA-N 1 0 303.381 3.026 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)s1 ZINC000183657690 432312886 /nfs/dbraw/zinc/31/28/86/432312886.db2.gz ABWFRBCTCUXDGJ-QWRGUYRKSA-N 1 0 322.396 3.453 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000184104687 432354831 /nfs/dbraw/zinc/35/48/31/432354831.db2.gz GZJJTAGXTOGEAV-GFCCVEGCSA-N 1 0 313.392 3.154 10 0 DGAERO CSCc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)ccc1F ZINC000174017820 432313570 /nfs/dbraw/zinc/31/35/70/432313570.db2.gz JIQDVLGTZQYFIJ-UHFFFAOYSA-N 1 0 324.465 3.291 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2cnc(-c3ccco3)s2)[C@H]2CCO[C@H]21 ZINC000248735362 432313797 /nfs/dbraw/zinc/31/37/97/432313797.db2.gz NQFARHJJRALHTE-MRVWCRGKSA-N 1 0 304.415 3.306 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000183672292 432314814 /nfs/dbraw/zinc/31/48/14/432314814.db2.gz OPKVXYFZWHALFW-AWEZNQCLSA-N 1 0 303.450 3.436 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(C)s1 ZINC000252443638 432376881 /nfs/dbraw/zinc/37/68/81/432376881.db2.gz DCCBFCCBGDWTTE-ZLDLUXBVSA-N 1 0 321.490 3.304 10 0 DGAERO Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc(-c2ccncc2)n1 ZINC000174921161 432380531 /nfs/dbraw/zinc/38/05/31/432380531.db2.gz GXSJHEJAJMYJJL-HZPDHXFCSA-N 1 0 311.433 3.132 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000184357233 432382709 /nfs/dbraw/zinc/38/27/09/432382709.db2.gz FUTAANWTJKXYBK-MAUKXSAKSA-N 1 0 309.413 3.236 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1ccccc1Br)[S@](C)=O ZINC000252729936 432385983 /nfs/dbraw/zinc/38/59/83/432385983.db2.gz IZXQQHKOCDVVDE-RLFDGXBXSA-N 1 0 318.280 3.257 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(Br)s1 ZINC000252732288 432386332 /nfs/dbraw/zinc/38/63/32/432386332.db2.gz UKWIYHQMFWZSDF-BEPCFFQHSA-N 1 0 324.309 3.318 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000174993321 432386821 /nfs/dbraw/zinc/38/68/21/432386821.db2.gz YOFZOPHOOLZNCQ-IEBWSBKVSA-N 1 0 323.440 3.176 10 0 DGAERO O=C(Nc1cc(F)cc(Cl)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000153147375 432387704 /nfs/dbraw/zinc/38/77/04/432387704.db2.gz GPNKCIROKDMDAH-AWEZNQCLSA-N 1 0 311.788 3.181 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000175011330 432388243 /nfs/dbraw/zinc/38/82/43/432388243.db2.gz QXPASAKSLPUYBD-CABCVRRESA-N 1 0 303.450 3.078 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cn1 ZINC000253350612 432390047 /nfs/dbraw/zinc/39/00/47/432390047.db2.gz ARCSAXUQVMFRBT-QUCCMNQESA-N 1 0 324.472 3.073 10 0 DGAERO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2cocn2)C1 ZINC000192304089 432357818 /nfs/dbraw/zinc/35/78/18/432357818.db2.gz LBVULVZVZJENPB-ZDUSSCGKSA-N 1 0 305.809 3.253 10 0 DGAERO Fc1cccc(-c2cnc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)o2)c1 ZINC000152804091 432357932 /nfs/dbraw/zinc/35/79/32/432357932.db2.gz KNIXIQMZOMOBHC-GDBMZVCRSA-N 1 0 316.376 3.482 10 0 DGAERO CC[N@H+](CCNC(=O)N1CCCC[C@H]1c1ccc(C)o1)C1CC1 ZINC000174577002 432358212 /nfs/dbraw/zinc/35/82/12/432358212.db2.gz QXQWXSDVAOXPTF-INIZCTEOSA-N 1 0 319.449 3.309 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000249811466 432358525 /nfs/dbraw/zinc/35/85/25/432358525.db2.gz ZHBVEERVUKAMDF-OLZOCXBDSA-N 1 0 309.841 3.185 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000174614164 432359765 /nfs/dbraw/zinc/35/97/65/432359765.db2.gz PRADTQMDYFGECN-PMPSAXMXSA-N 1 0 319.449 3.247 10 0 DGAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000192729516 432406785 /nfs/dbraw/zinc/40/67/85/432406785.db2.gz RJLOGYXEWDUNFH-SUMWQHHRSA-N 1 0 318.442 3.136 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000250107186 432363738 /nfs/dbraw/zinc/36/37/38/432363738.db2.gz SGUBLHMPSXVMQG-YTQUADARSA-N 1 0 302.462 3.056 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC)C[C@H]1C ZINC000250068752 432363918 /nfs/dbraw/zinc/36/39/18/432363918.db2.gz NRUSJKAIAKNSPR-DAXOMENPSA-N 1 0 323.408 3.292 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000250092039 432364492 /nfs/dbraw/zinc/36/44/92/432364492.db2.gz QGTLSVTYMLYWBQ-BPQTVZERSA-N 1 0 308.425 3.058 10 0 DGAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ncccc1C(F)(F)F ZINC000152899084 432366414 /nfs/dbraw/zinc/36/64/14/432366414.db2.gz XHMYCILNCXHNAF-BXUZGUMPSA-N 1 0 302.340 3.251 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184209158 432366581 /nfs/dbraw/zinc/36/65/81/432366581.db2.gz DRXGLCJBIRYPCW-ZDUSSCGKSA-N 1 0 322.424 3.311 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000184227840 432368222 /nfs/dbraw/zinc/36/82/22/432368222.db2.gz CYYHDBGQBDPXEH-CYBMUJFWSA-N 1 0 315.417 3.110 10 0 DGAERO Cc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c(Cl)c1 ZINC000192381704 432368780 /nfs/dbraw/zinc/36/87/80/432368780.db2.gz XFXNSBIRGVZWPF-UHFFFAOYSA-N 1 0 308.853 3.499 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000184227821 432369093 /nfs/dbraw/zinc/36/90/93/432369093.db2.gz CYYHDBGQBDPXEH-ZDUSSCGKSA-N 1 0 315.417 3.110 10 0 DGAERO CN(Cc1ccc(OCc2ccccc2)cc1)[C@H](C[NH3+])C1CC1 ZINC000261557012 432429800 /nfs/dbraw/zinc/42/98/00/432429800.db2.gz WQLBPYZQRLDSPC-HXUWFJFHSA-N 1 0 310.441 3.435 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1F ZINC000192935426 432431285 /nfs/dbraw/zinc/43/12/85/432431285.db2.gz QHDASNNDTZLQAU-GJZGRUSLSA-N 1 0 303.377 3.225 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1CSC ZINC000184772841 432431771 /nfs/dbraw/zinc/43/17/71/432431771.db2.gz LAIGEGKZKMYNTH-OAHLLOKOSA-N 1 0 321.490 3.498 10 0 DGAERO CSCc1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000184783309 432432171 /nfs/dbraw/zinc/43/21/71/432432171.db2.gz PKTFZEQDVIMBSC-BBRMVZONSA-N 1 0 321.490 3.400 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c3cc(F)ccc23)C1 ZINC000192963192 432433918 /nfs/dbraw/zinc/43/39/18/432433918.db2.gz VILYXKMPEXOZBR-CYBMUJFWSA-N 1 0 317.408 3.111 10 0 DGAERO CC(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000184794941 432433997 /nfs/dbraw/zinc/43/39/97/432433997.db2.gz ZKJRXFFZYMNPSN-BQFCYCMXSA-N 1 0 317.477 3.090 10 0 DGAERO C[NH2+]C1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000261612501 432435346 /nfs/dbraw/zinc/43/53/46/432435346.db2.gz SRMCJQNIZUOMQQ-UHFFFAOYSA-N 1 0 303.233 3.056 10 0 DGAERO CCc1ccc([C@@H](COC)[NH2+]C[C@@](C)(O)c2ccccc2)o1 ZINC000184840704 432438498 /nfs/dbraw/zinc/43/84/98/432438498.db2.gz OFELFPSALDXXDC-SJLPKXTDSA-N 1 0 303.402 3.027 10 0 DGAERO [NH3+]C1(c2noc(/C=C/c3ccc(Br)o3)n2)CCCC1 ZINC000261684001 432441376 /nfs/dbraw/zinc/44/13/76/432441376.db2.gz HCCSKFPZFUVBBX-GQCTYLIASA-N 1 0 324.178 3.324 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccnn2C)n(-c2ccccc2)n1 ZINC000193036438 432441627 /nfs/dbraw/zinc/44/16/27/432441627.db2.gz SYBUEMKVMZVALH-GOEBONIOSA-N 1 0 323.444 3.196 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(C)c(OC)c1C ZINC000193034990 432441775 /nfs/dbraw/zinc/44/17/75/432441775.db2.gz JHUHPROCVRFPHZ-CYBMUJFWSA-N 1 0 307.438 3.164 10 0 DGAERO [NH3+]C1(c2noc([C@@H]3C[C@H]3c3ccc(F)c(F)c3)n2)CCCC1 ZINC000261694663 432442591 /nfs/dbraw/zinc/44/25/91/432442591.db2.gz HRKQHVQVFPGYTA-WDEREUQCSA-N 1 0 305.328 3.347 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000261709877 432443230 /nfs/dbraw/zinc/44/32/30/432443230.db2.gz KLLYUUYLIJDKID-HXUWFJFHSA-N 1 0 322.452 3.137 10 0 DGAERO COc1ccc(Cc2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)cc1 ZINC000261725380 432444177 /nfs/dbraw/zinc/44/41/77/432444177.db2.gz MKKFYIJAOKLCBW-IMJJTQAJSA-N 1 0 313.401 3.262 10 0 DGAERO CC(C)Oc1ccccc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261722689 432444464 /nfs/dbraw/zinc/44/44/64/432444464.db2.gz LEYOJKSROOODGF-SFHVURJKSA-N 1 0 311.429 3.015 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)cc1F ZINC000261913260 432459574 /nfs/dbraw/zinc/45/95/74/432459574.db2.gz QLWSHFPMGNUKRV-PXAZEXFGSA-N 1 0 316.376 3.020 10 0 DGAERO [NH3+]C1(c2noc(-c3ncoc3-c3ccccc3Cl)n2)CCC1 ZINC000261747033 432446718 /nfs/dbraw/zinc/44/67/18/432446718.db2.gz LOPUUYZRWFDPHU-UHFFFAOYSA-N 1 0 316.748 3.383 10 0 DGAERO Cc1c(CSC(C)C)cccc1NC(=O)C1([NH3+])CCOCC1 ZINC000261747135 432447138 /nfs/dbraw/zinc/44/71/38/432447138.db2.gz DZSMIANTAKOMSF-UHFFFAOYSA-N 1 0 322.474 3.083 10 0 DGAERO CCOC(C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC)OCC ZINC000184939993 432447563 /nfs/dbraw/zinc/44/75/63/432447563.db2.gz WPRXLGGIUXKZHB-INIZCTEOSA-N 1 0 323.433 3.240 10 0 DGAERO CSCc1cc(-c2nc(C3([NH3+])CCCC3)no2)ccc1F ZINC000261761345 432448831 /nfs/dbraw/zinc/44/88/31/432448831.db2.gz MMEGIUFHPCBBNU-UHFFFAOYSA-N 1 0 307.394 3.467 10 0 DGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1C(C)C ZINC000184952291 432448958 /nfs/dbraw/zinc/44/89/58/432448958.db2.gz GQDFWFVZJXNZIQ-MSOLQXFVSA-N 1 0 302.462 3.437 10 0 DGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000184952271 432449675 /nfs/dbraw/zinc/44/96/75/432449675.db2.gz GQDFWFVZJXNZIQ-QZTJIDSGSA-N 1 0 302.462 3.437 10 0 DGAERO CC(C)(C)[NH2+]CCNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000153862970 432451261 /nfs/dbraw/zinc/45/12/61/432451261.db2.gz OKYQXJZNCSONIF-UHFFFAOYSA-N 1 0 304.365 3.204 10 0 DGAERO Cn1cc(-c2cc(C[N@H+](C)CCC3CCCCC3)on2)cn1 ZINC000184992883 432453343 /nfs/dbraw/zinc/45/33/43/432453343.db2.gz BFGWIZNXHBZEDE-UHFFFAOYSA-N 1 0 302.422 3.477 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000261844037 432454011 /nfs/dbraw/zinc/45/40/11/432454011.db2.gz CUIFOPFAUIAWJX-MLGOLLRUSA-N 1 0 303.381 3.182 10 0 DGAERO O[C@H](C[NH+]1CCC(c2cc[nH]n2)CC1)c1ccc(F)cc1Cl ZINC000184989242 432454623 /nfs/dbraw/zinc/45/46/23/432454623.db2.gz MVNUZKFJYAPJRS-MRXNPFEDSA-N 1 0 323.799 3.115 10 0 DGAERO C[NH2+][C@H](C)Cc1noc(COc2ccc(C(C)(C)C)cc2)n1 ZINC000261865879 432455584 /nfs/dbraw/zinc/45/55/84/432455584.db2.gz USPWSDZTWXQJOS-GFCCVEGCSA-N 1 0 303.406 3.097 10 0 DGAERO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)C1CCCCC1)CC2 ZINC000185028796 432457643 /nfs/dbraw/zinc/45/76/43/432457643.db2.gz NGBUWYHRDFILHD-QGZVFWFLSA-N 1 0 319.445 3.003 10 0 DGAERO Fc1cccc(-c2cnc(C[N@@H+]3CC[C@@]4(CCOC4)C3)o2)c1 ZINC000153469201 432411062 /nfs/dbraw/zinc/41/10/62/432411062.db2.gz ZXDVKNIMJYGSMT-QGZVFWFLSA-N 1 0 302.349 3.093 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000175229805 432412990 /nfs/dbraw/zinc/41/29/90/432412990.db2.gz TZHRCBMIQJEOLP-STQMWFEESA-N 1 0 323.403 3.139 10 0 DGAERO Cc1cccc([C@H](NCc2nc(N(C)C)no2)C(C)(C)C)c1 ZINC000192784757 432413812 /nfs/dbraw/zinc/41/38/12/432413812.db2.gz BCEZZYSDKIOZSH-HNNXBMFYSA-N 1 0 302.422 3.321 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)CCC2 ZINC000192810640 432416816 /nfs/dbraw/zinc/41/68/16/432416816.db2.gz AZFZAHXKAXZMDQ-BEFAXECRSA-N 1 0 322.456 3.285 10 0 DGAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)CC2 ZINC000184656902 432417303 /nfs/dbraw/zinc/41/73/03/432417303.db2.gz FDUQEPPHQYUQSE-ONGXEEELSA-N 1 0 308.788 3.045 10 0 DGAERO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184661425 432417585 /nfs/dbraw/zinc/41/75/85/432417585.db2.gz KLVBWMOXNBEZGS-KGLIPLIRSA-N 1 0 304.434 3.041 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1 ZINC000192815344 432418308 /nfs/dbraw/zinc/41/83/08/432418308.db2.gz QTAXDVCYDFSSOO-IRXDYDNUSA-N 1 0 314.408 3.325 10 0 DGAERO CCc1oc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000153546542 432419630 /nfs/dbraw/zinc/41/96/30/432419630.db2.gz KJMZXASIKILVRG-ZBFHGGJFSA-N 1 0 316.445 3.239 10 0 DGAERO CC[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccc(OC)cc1 ZINC000192841266 432420040 /nfs/dbraw/zinc/42/00/40/432420040.db2.gz PRQFNRWBTYHMSP-SFHVURJKSA-N 1 0 318.461 3.383 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1F ZINC000192841686 432420088 /nfs/dbraw/zinc/42/00/88/432420088.db2.gz GKQYQNZTYUXPCY-CYBMUJFWSA-N 1 0 322.424 3.132 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1scnc1C1CCCC1 ZINC000185032373 432458929 /nfs/dbraw/zinc/45/89/29/432458929.db2.gz ANEDMBJKKURGCD-CQSZACIVSA-N 1 0 321.490 3.357 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000175347883 432426671 /nfs/dbraw/zinc/42/66/71/432426671.db2.gz HLEVVEQXTXXSHP-MRXNPFEDSA-N 1 0 317.408 3.397 10 0 DGAERO CCC(CC)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000192910508 432427117 /nfs/dbraw/zinc/42/71/17/432427117.db2.gz ASAVNROQASJGPQ-UHFFFAOYSA-N 1 0 303.450 3.270 10 0 DGAERO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185149483 432471515 /nfs/dbraw/zinc/47/15/15/432471515.db2.gz XLJHPRWCBDOVAD-IUODEOHRSA-N 1 0 315.335 3.258 10 0 DGAERO C[NH2+]CCC1CCN(C(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC000262043567 432472105 /nfs/dbraw/zinc/47/21/05/432472105.db2.gz LPQBXPZCBXTSGC-HXUWFJFHSA-N 1 0 314.473 3.129 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000262118963 432474756 /nfs/dbraw/zinc/47/47/56/432474756.db2.gz LQSUDLWMCSWGHA-SCZZXKLOSA-N 1 0 307.385 3.030 10 0 DGAERO C[C@@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000175893357 432475903 /nfs/dbraw/zinc/47/59/03/432475903.db2.gz ZPTSQIQWHZINED-VXGBXAGGSA-N 1 0 312.866 3.202 10 0 DGAERO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000185200655 432476327 /nfs/dbraw/zinc/47/63/27/432476327.db2.gz BEVSZNRIEYMXGL-ZWKOTPCHSA-N 1 0 314.429 3.211 10 0 DGAERO CCOCc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175928243 432478484 /nfs/dbraw/zinc/47/84/84/432478484.db2.gz WZXXIXJWJQEZFE-PBHICJAKSA-N 1 0 319.449 3.170 10 0 DGAERO C[C@H](C(=O)NCC1(c2ccccc2)CCCCCC1)C1C[NH2+]C1 ZINC000262229006 432478667 /nfs/dbraw/zinc/47/86/67/432478667.db2.gz QCWLZUCDAIVJDB-INIZCTEOSA-N 1 0 314.473 3.250 10 0 DGAERO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)C1(C)C ZINC000185247494 432482601 /nfs/dbraw/zinc/48/26/01/432482601.db2.gz STGGSWAFPUZNHW-NEPJUHHUSA-N 1 0 319.371 3.121 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000262332576 432482899 /nfs/dbraw/zinc/48/28/99/432482899.db2.gz SPZVSLQQSRUINJ-QGZVFWFLSA-N 1 0 312.438 3.452 10 0 DGAERO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)C1(C)C ZINC000185247478 432483214 /nfs/dbraw/zinc/48/32/14/432483214.db2.gz STGGSWAFPUZNHW-VXGBXAGGSA-N 1 0 319.371 3.121 10 0 DGAERO C[C@@H](c1ccc(Br)cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193616027 432485030 /nfs/dbraw/zinc/48/50/30/432485030.db2.gz WNZUEQFHGDOICY-FPMFFAJLSA-N 1 0 309.251 3.004 10 0 DGAERO C[C@H]1C[C@@H](C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CC[NH2+]1 ZINC000262429017 432486379 /nfs/dbraw/zinc/48/63/79/432486379.db2.gz WHEJNLYWRLLPJY-STQMWFEESA-N 1 0 320.481 3.262 10 0 DGAERO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000154273148 432487749 /nfs/dbraw/zinc/48/77/49/432487749.db2.gz JGJXSKIJRVUVMC-YSVLISHTSA-N 1 0 309.475 3.219 10 0 DGAERO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000262597085 432492696 /nfs/dbraw/zinc/49/26/96/432492696.db2.gz YWASOTGCBYCYQR-UHFFFAOYSA-N 1 0 304.365 3.143 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000185353476 432493910 /nfs/dbraw/zinc/49/39/10/432493910.db2.gz BLOFSUNNBJABCW-LBPRGKRZSA-N 1 0 311.376 3.270 10 0 DGAERO CCCCc1nc2cc(NC(=O)[C@H]([NH3+])[C@H](C)CC)ccc2[nH]1 ZINC000262631210 432493961 /nfs/dbraw/zinc/49/39/61/432493961.db2.gz HBNVGYZMXODAKN-BDJLRTHQSA-N 1 0 302.422 3.217 10 0 DGAERO [NH3+]C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)C1CCCCC1 ZINC000262608659 432494047 /nfs/dbraw/zinc/49/40/47/432494047.db2.gz VMOLAXHREBWART-ZOBUZTSGSA-N 1 0 322.399 3.092 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000262622518 432494103 /nfs/dbraw/zinc/49/41/03/432494103.db2.gz KBRASHFWMXGNGG-UKMLZYKCSA-N 1 0 306.837 3.077 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000185350571 432494848 /nfs/dbraw/zinc/49/48/48/432494848.db2.gz ODFFIHFYEVYEMY-ZDUSSCGKSA-N 1 0 324.371 3.459 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C/C=C/c2cccc(F)c2)C1 ZINC000176258113 432503689 /nfs/dbraw/zinc/50/36/89/432503689.db2.gz GMQCWJAARZOWAP-BBOMDTFKSA-N 1 0 318.436 3.466 10 0 DGAERO O=C(C1CCC1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262906645 432507343 /nfs/dbraw/zinc/50/73/43/432507343.db2.gz IXKMHMZHBZKXCY-OAHLLOKOSA-N 1 0 304.459 3.019 10 0 DGAERO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000176315872 432509864 /nfs/dbraw/zinc/50/98/64/432509864.db2.gz VOUAJIWHOCXOKI-ZFWWWQNUSA-N 1 0 324.852 3.098 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000176305162 432509912 /nfs/dbraw/zinc/50/99/12/432509912.db2.gz FVVIMIZQBNGCHN-INIZCTEOSA-N 1 0 319.449 3.422 10 0 DGAERO CCOc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c(C)c1 ZINC000176313973 432510319 /nfs/dbraw/zinc/51/03/19/432510319.db2.gz NRXCSXRDBNKLCN-OAHLLOKOSA-N 1 0 319.449 3.342 10 0 DGAERO CCOc1cc(F)ccc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176308392 432510468 /nfs/dbraw/zinc/51/04/68/432510468.db2.gz BXMCXJALKMHWIK-CQSZACIVSA-N 1 0 323.412 3.172 10 0 DGAERO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1cnc(N)s1 ZINC000261954875 432463905 /nfs/dbraw/zinc/46/39/05/432463905.db2.gz GOJPZAIYRIAJAL-HNNXBMFYSA-N 1 0 303.431 3.243 10 0 DGAERO COc1ccc2c(c1)CCC[C@H]2Cc1nc(C2([NH3+])CCC2)no1 ZINC000261953076 432464021 /nfs/dbraw/zinc/46/40/21/432464021.db2.gz OHHQGRSLUCCWFA-ZDUSSCGKSA-N 1 0 313.401 3.079 10 0 DGAERO CCn1ccnc1C[S@](=O)Cc1ncc(Cl)cc1Cl ZINC000185092205 432466007 /nfs/dbraw/zinc/46/60/07/432466007.db2.gz IULUNSMNOODGRM-LJQANCHMSA-N 1 0 318.229 3.054 10 0 DGAERO CCCN(Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000262003106 432467160 /nfs/dbraw/zinc/46/71/60/432467160.db2.gz VJHVAPWDFWKLBI-INIZCTEOSA-N 1 0 303.381 3.055 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000175840169 432470115 /nfs/dbraw/zinc/47/01/15/432470115.db2.gz OOHGMDFSACFNHY-WFASDCNBSA-N 1 0 300.406 3.114 10 0 DGAERO C[NH2+]C1CCN(Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000262040590 432470484 /nfs/dbraw/zinc/47/04/84/432470484.db2.gz YHLOZASIDXMCLQ-UHFFFAOYSA-N 1 0 308.853 3.313 10 0 DGAERO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3)C2)cc1 ZINC000155314148 432549990 /nfs/dbraw/zinc/54/99/90/432549990.db2.gz QYZQHRFMTVVCJI-KRWDZBQOSA-N 1 0 324.424 3.432 10 0 DGAERO COc1ccccc1[C@H](O)CNc1cc(C(F)(F)F)ccn1 ZINC000176790725 432553421 /nfs/dbraw/zinc/55/34/21/432553421.db2.gz ALUXONGFVFWNMV-GFCCVEGCSA-N 1 0 312.291 3.255 10 0 DGAERO Fc1ccc(-c2ccc(CN[C@H]3CCCn4ncnc43)o2)cc1 ZINC000176800733 432554383 /nfs/dbraw/zinc/55/43/83/432554383.db2.gz GQIKDPHETWNOIV-HNNXBMFYSA-N 1 0 312.348 3.302 10 0 DGAERO Brc1ccc([C@@H]([NH2+]CC2CC2)c2cncnc2)cc1 ZINC000186100667 432559122 /nfs/dbraw/zinc/55/91/22/432559122.db2.gz IAQKMTQFWKYFBJ-OAHLLOKOSA-N 1 0 318.218 3.328 10 0 DGAERO Brc1ccc([C@H]([NH2+]CC2CC2)c2cncnc2)cc1 ZINC000186100649 432559408 /nfs/dbraw/zinc/55/94/08/432559408.db2.gz IAQKMTQFWKYFBJ-HNNXBMFYSA-N 1 0 318.218 3.328 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)CCSc2ccccc2F)[C@@H](C)C1 ZINC000155520505 432559633 /nfs/dbraw/zinc/55/96/33/432559633.db2.gz IAAWFGPXLNROKZ-ZFWWWQNUSA-N 1 0 324.465 3.153 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3ccccc3s2)C1 ZINC000155535964 432559701 /nfs/dbraw/zinc/55/97/01/432559701.db2.gz HEHQWCPNUSYQNG-OCCSQVGLSA-N 1 0 302.443 3.360 10 0 DGAERO Cc1cc(CN(C)Cc2ccc(SC(=O)N(C)C)cc2)no1 ZINC000176873846 432561607 /nfs/dbraw/zinc/56/16/07/432561607.db2.gz YIDPNWHRKRDDST-UHFFFAOYSA-N 1 0 319.430 3.389 10 0 DGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000176909226 432564098 /nfs/dbraw/zinc/56/40/98/432564098.db2.gz ARELIVVDJPHFQX-JKSUJKDBSA-N 1 0 301.434 3.298 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000176363928 432514562 /nfs/dbraw/zinc/51/45/62/432514562.db2.gz SXEYAALNDCNFEB-NSHDSACASA-N 1 0 315.339 3.052 10 0 DGAERO COc1c(C)ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000176365251 432516317 /nfs/dbraw/zinc/51/63/17/432516317.db2.gz IGEFNUQSAGXTRI-BBRMVZONSA-N 1 0 319.449 3.162 10 0 DGAERO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000154775873 432519637 /nfs/dbraw/zinc/51/96/37/432519637.db2.gz KUKVSCCPTYSITG-LSDHHAIUSA-N 1 0 313.445 3.438 10 0 DGAERO Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])C2)n1 ZINC000263172325 432524867 /nfs/dbraw/zinc/52/48/67/432524867.db2.gz FWJWURLMNAVOMQ-CPUCHLNUSA-N 1 0 321.490 3.065 10 0 DGAERO C[C@H](CC1CCCCC1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000194626774 432564414 /nfs/dbraw/zinc/56/44/14/432564414.db2.gz XIBNYSMXZDNHLS-INMHGKMJSA-N 1 0 309.498 3.469 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c3ccccc23)C1 ZINC000194635649 432564452 /nfs/dbraw/zinc/56/44/52/432564452.db2.gz XSLNSPZDRCDBAW-CQSZACIVSA-N 1 0 312.413 3.063 10 0 DGAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccnc(C(C)(C)C)n2)CC1 ZINC000154909922 432528240 /nfs/dbraw/zinc/52/82/40/432528240.db2.gz XIOOCKUFZKJCIN-CQSZACIVSA-N 1 0 302.466 3.227 10 0 DGAERO COc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000176486676 432528765 /nfs/dbraw/zinc/52/87/65/432528765.db2.gz KXURQLQLYFSWHQ-LBPRGKRZSA-N 1 0 317.360 3.456 10 0 DGAERO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Cl)cc1F ZINC000154917973 432529079 /nfs/dbraw/zinc/52/90/79/432529079.db2.gz SOHQYYFCFATPSK-BLLLJJGKSA-N 1 0 324.827 3.344 10 0 DGAERO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccc(Cl)s1 ZINC000176510687 432530399 /nfs/dbraw/zinc/53/03/99/432530399.db2.gz JYXUJLRCHMRSAR-GRYCIOLGSA-N 1 0 312.866 3.200 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(Cl)s1 ZINC000194190637 432531930 /nfs/dbraw/zinc/53/19/30/432531930.db2.gz OZBDCQPZAGJNIR-NSHDSACASA-N 1 0 317.886 3.177 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194232344 432532740 /nfs/dbraw/zinc/53/27/40/432532740.db2.gz PQSXVVXLTAKIMW-ZIAGYGMSSA-N 1 0 314.433 3.410 10 0 DGAERO Cc1cc(NC2CC[NH+](CC3CC3)CC2)nc(-c2cccnc2)n1 ZINC000194218823 432533343 /nfs/dbraw/zinc/53/33/43/432533343.db2.gz UZZXAVSRPWHNHD-UHFFFAOYSA-N 1 0 323.444 3.133 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000185795305 432534262 /nfs/dbraw/zinc/53/42/62/432534262.db2.gz FBZIOXRHFMPCPT-QZTJIDSGSA-N 1 0 306.494 3.393 10 0 DGAERO CCC1(NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CCC1 ZINC000176569474 432534870 /nfs/dbraw/zinc/53/48/70/432534870.db2.gz PVRRNBZTVVOYMV-UHFFFAOYSA-N 1 0 319.449 3.390 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1OCC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000185815870 432535728 /nfs/dbraw/zinc/53/57/28/432535728.db2.gz AJUHJABUVSIMSK-MLHJIOFPSA-N 1 0 324.509 3.161 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCCC3(CC3)C2)[C@@H]1c1ccccc1 ZINC000185906728 432544053 /nfs/dbraw/zinc/54/40/53/432544053.db2.gz GQIHYVZRXAQSER-SJORKVTESA-N 1 0 313.445 3.017 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1 ZINC000156742095 432606345 /nfs/dbraw/zinc/60/63/45/432606345.db2.gz ASCFIXLMGKUETI-LSDHHAIUSA-N 1 0 321.440 3.178 10 0 DGAERO CC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000156830706 432608090 /nfs/dbraw/zinc/60/80/90/432608090.db2.gz PLKUVRLRDYPWRV-KRWDZBQOSA-N 1 0 303.427 3.263 10 0 DGAERO Cc1ccc(C[C@@H](C)N(C)Cc2nnc(C(C)C)n2C)cc1 ZINC000156819056 432608145 /nfs/dbraw/zinc/60/81/45/432608145.db2.gz HKWQCUNFDPZNEB-OAHLLOKOSA-N 1 0 300.450 3.310 10 0 DGAERO COc1cccc([C@H](C)CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000177298302 432608176 /nfs/dbraw/zinc/60/81/76/432608176.db2.gz JJVNFXCTYPDPQS-VYDXJSESSA-N 1 0 318.461 3.130 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)NC(C2CC2)C2CC2)cc1 ZINC000156896331 432609385 /nfs/dbraw/zinc/60/93/85/432609385.db2.gz BAOHFUVRFKHREK-OAHLLOKOSA-N 1 0 314.473 3.163 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000195179892 432610308 /nfs/dbraw/zinc/61/03/08/432610308.db2.gz LSLGFWSBFVHEES-DLBZAZTESA-N 1 0 323.502 3.278 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(Cl)s1 ZINC000177332549 432612305 /nfs/dbraw/zinc/61/23/05/432612305.db2.gz FHQBHYYIONYGAD-NSHDSACASA-N 1 0 315.870 3.027 10 0 DGAERO C[C@@H](Cc1ccccc1Cl)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155737704 432571547 /nfs/dbraw/zinc/57/15/47/432571547.db2.gz SEGBWGJAXGKZJU-MELADBBJSA-N 1 0 308.853 3.070 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC(C)(C)c1ccccc1 ZINC000176991059 432571960 /nfs/dbraw/zinc/57/19/60/432571960.db2.gz ITVDIUPQFPCJHE-QGZVFWFLSA-N 1 0 302.462 3.297 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000186248062 432573351 /nfs/dbraw/zinc/57/33/51/432573351.db2.gz CDODVABRSBANIP-NEPJUHHUSA-N 1 0 320.462 3.137 10 0 DGAERO CCc1noc(C)c1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000155784184 432574201 /nfs/dbraw/zinc/57/42/01/432574201.db2.gz UDQDYAHCXBJYLZ-ZDUSSCGKSA-N 1 0 322.453 3.179 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccccc1Cl ZINC000176996388 432574636 /nfs/dbraw/zinc/57/46/36/432574636.db2.gz NTWFYDORXNUAIZ-OAHLLOKOSA-N 1 0 308.853 3.215 10 0 DGAERO O[C@@]12CCCC[C@@H]1CN(Cc1nc(C(F)(F)F)cs1)CC2 ZINC000155794259 432575249 /nfs/dbraw/zinc/57/52/49/432575249.db2.gz GFCNCXQVESLEGO-ZWNOBZJWSA-N 1 0 320.380 3.289 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)C12CCOCC2 ZINC000186276602 432576262 /nfs/dbraw/zinc/57/62/62/432576262.db2.gz HKEMQBJMUYQIIF-JKSUJKDBSA-N 1 0 311.372 3.029 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1csc2ccccc12 ZINC000177018665 432576735 /nfs/dbraw/zinc/57/67/35/432576735.db2.gz QUHGITVJNWHBOU-ZDUSSCGKSA-N 1 0 302.443 3.458 10 0 DGAERO C[C@@H](CCC1CC1)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000186284960 432577834 /nfs/dbraw/zinc/57/78/34/432577834.db2.gz XYESPTCBSRQXDL-HNNXBMFYSA-N 1 0 300.446 3.460 10 0 DGAERO CNC(=O)c1cccc(C[NH2+][C@H]2CCCOc3ccc(C)cc32)c1 ZINC000155876433 432578243 /nfs/dbraw/zinc/57/82/43/432578243.db2.gz ZPOXSEBBKHZBGS-SFHVURJKSA-N 1 0 324.424 3.358 10 0 DGAERO CNC(=O)c1cccc(C[NH2+][C@@H]2CCCOc3ccc(C)cc32)c1 ZINC000155876303 432578565 /nfs/dbraw/zinc/57/85/65/432578565.db2.gz ZPOXSEBBKHZBGS-GOSISDBHSA-N 1 0 324.424 3.358 10 0 DGAERO Cn1cncc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000177074782 432583317 /nfs/dbraw/zinc/58/33/17/432583317.db2.gz JZPZNCWJVCELTK-INIZCTEOSA-N 1 0 321.428 3.190 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000177086901 432585022 /nfs/dbraw/zinc/58/50/22/432585022.db2.gz CDRFLALEWCPPNN-WCQYABFASA-N 1 0 307.825 3.349 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000177091209 432585303 /nfs/dbraw/zinc/58/53/03/432585303.db2.gz RPCGQOXVJMZHET-CMPLNLGQSA-N 1 0 311.788 3.180 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000177094564 432585361 /nfs/dbraw/zinc/58/53/61/432585361.db2.gz DASTZDYJHXEXMH-SJLPKXTDSA-N 1 0 314.473 3.198 10 0 DGAERO COc1ccc(-c2cnc(C[N@H+](C)CC3CCOCC3)o2)cc1 ZINC000156112986 432588982 /nfs/dbraw/zinc/58/89/82/432588982.db2.gz XCOJNTBHHQRZSF-UHFFFAOYSA-N 1 0 316.401 3.209 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000177145456 432590603 /nfs/dbraw/zinc/59/06/03/432590603.db2.gz SZGHTPGDXCKPBX-PTSWNOGYSA-N 1 0 312.457 3.022 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)Oc2ccccc2)C12CCOCC2 ZINC000186406914 432591928 /nfs/dbraw/zinc/59/19/28/432591928.db2.gz GQPZOFBJCBDFLK-BPQIPLTHSA-N 1 0 319.445 3.018 10 0 DGAERO CCO[C@H](C)c1nc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2CC)cs1 ZINC000177184596 432596340 /nfs/dbraw/zinc/59/63/40/432596340.db2.gz KEEQCFHVZRELNP-FVQBIDKESA-N 1 0 323.506 3.299 10 0 DGAERO O=C(CSc1ccccc1Cl)N1CCN2CCCC[C@H]2C1 ZINC000195076489 432600078 /nfs/dbraw/zinc/60/00/78/432600078.db2.gz VVEVOPRSDUJNGS-ZDUSSCGKSA-N 1 0 324.877 3.129 10 0 DGAERO CC[C@H]1c2ccsc2CCN1Cc1nnc(C2CC2)n1C ZINC000195075326 432600528 /nfs/dbraw/zinc/60/05/28/432600528.db2.gz XDVJVDQYXTWLEK-ZDUSSCGKSA-N 1 0 302.447 3.263 10 0 DGAERO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000156663044 432601491 /nfs/dbraw/zinc/60/14/91/432601491.db2.gz MYCUPRYFRMGYPE-OAHLLOKOSA-N 1 0 318.852 3.461 10 0 DGAERO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000195087364 432603132 /nfs/dbraw/zinc/60/31/32/432603132.db2.gz ZTTYJFHNKKWYGN-QGZVFWFLSA-N 1 0 301.409 3.383 10 0 DGAERO CCC[N@H+](Cc1nnnn1C(C)C)[C@H]1CCc2ccccc2C1 ZINC000195108211 432604448 /nfs/dbraw/zinc/60/44/48/432604448.db2.gz VFEZPXDGRRSWAI-KRWDZBQOSA-N 1 0 313.449 3.024 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)COCc1cccc(OC)c1 ZINC000157322524 432619346 /nfs/dbraw/zinc/61/93/46/432619346.db2.gz CVWDHVMCPOXARC-ROUUACIJSA-N 1 0 321.461 3.227 10 0 DGAERO Cc1cccc(NC(=O)CN2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186666074 432619636 /nfs/dbraw/zinc/61/96/36/432619636.db2.gz YVPWYWVRBJXDOW-FQEVSTJZSA-N 1 0 322.408 3.065 10 0 DGAERO COc1cc(OC)cc([C@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)c1 ZINC000177415112 432621778 /nfs/dbraw/zinc/62/17/78/432621778.db2.gz FLIXVNSLVPFSIN-HOCLYGCPSA-N 1 0 305.418 3.062 10 0 DGAERO C[C@](O)(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccccc1 ZINC000186699497 432623813 /nfs/dbraw/zinc/62/38/13/432623813.db2.gz QQNBRCHMJCTQCK-VQTJNVASSA-N 1 0 309.409 3.026 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000157628487 432625192 /nfs/dbraw/zinc/62/51/92/432625192.db2.gz AJNYETTXLSJBNM-INIZCTEOSA-N 1 0 317.477 3.477 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](CCCOc3ccccc3)C2)no1 ZINC000195517896 432626254 /nfs/dbraw/zinc/62/62/54/432626254.db2.gz MIYIOSVBJDFOFO-MRXNPFEDSA-N 1 0 315.417 3.102 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000195517879 432626385 /nfs/dbraw/zinc/62/63/85/432626385.db2.gz DRVYUGVDABBQPY-LBPRGKRZSA-N 1 0 307.344 3.111 10 0 DGAERO C[N@H+](CCOc1cc(Cl)ccc1Cl)CC1(CO)CC1 ZINC000186804228 432631791 /nfs/dbraw/zinc/63/17/91/432631791.db2.gz HOQYULIFNQYMKP-UHFFFAOYSA-N 1 0 304.217 3.077 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)ccc1F ZINC000177508158 432632549 /nfs/dbraw/zinc/63/25/49/432632549.db2.gz XVZSTAUFUPGUSV-UONOGXRCSA-N 1 0 305.397 3.225 10 0 DGAERO COc1cc(C)nc(C[NH2+]Cc2cccc(Br)c2)c1 ZINC000214069981 432640693 /nfs/dbraw/zinc/64/06/93/432640693.db2.gz FZXLSYOPFYDGMT-UHFFFAOYSA-N 1 0 321.218 3.451 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(C(C)(F)F)c2)C1 ZINC000187032265 432642677 /nfs/dbraw/zinc/64/26/77/432642677.db2.gz GTOFKTADMVBBBX-GFCCVEGCSA-N 1 0 311.376 3.262 10 0 DGAERO COc1cccc([C@@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000177618906 432643635 /nfs/dbraw/zinc/64/36/35/432643635.db2.gz FNAVYIXLKAOOJJ-DOTOQJQBSA-N 1 0 320.477 3.281 10 0 DGAERO COc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000222090448 432669300 /nfs/dbraw/zinc/66/93/00/432669300.db2.gz NEFQJMWDBRJQGN-CYBMUJFWSA-N 1 0 308.422 3.088 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000177694449 432651198 /nfs/dbraw/zinc/65/11/98/432651198.db2.gz SDCFZBFTOHHSEK-WBVHZDCISA-N 1 0 318.461 3.132 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(C)cc1Cl ZINC000177702746 432652096 /nfs/dbraw/zinc/65/20/96/432652096.db2.gz ZHQRSSKYTCIUBW-CQSZACIVSA-N 1 0 323.868 3.003 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCS2 ZINC000187228708 432652442 /nfs/dbraw/zinc/65/24/42/432652442.db2.gz XBNCSGOYDMELIN-DZGCQCFKSA-N 1 0 304.459 3.051 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000158647826 432653694 /nfs/dbraw/zinc/65/36/94/432653694.db2.gz DLFJNHZSYNRQFL-UONOGXRCSA-N 1 0 321.490 3.356 10 0 DGAERO CCn1c2cccc(F)c2nc1CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000177714873 432654199 /nfs/dbraw/zinc/65/41/99/432654199.db2.gz WEBXEWQWUQDEOK-CQSZACIVSA-N 1 0 318.440 3.111 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177719629 432654290 /nfs/dbraw/zinc/65/42/90/432654290.db2.gz VQPAWAWVVIGASQ-UHFFFAOYSA-N 1 0 312.413 3.219 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000177712906 432654598 /nfs/dbraw/zinc/65/45/98/432654598.db2.gz PRVQZLPRLOWXRC-IRXDYDNUSA-N 1 0 317.477 3.047 10 0 DGAERO Fc1cccc(-c2cnc(CN3CC[N@@H+]4CCCC[C@@H]4C3)o2)c1 ZINC000177756446 432657228 /nfs/dbraw/zinc/65/72/28/432657228.db2.gz KSZNXHAZFAKWFM-MRXNPFEDSA-N 1 0 315.392 3.151 10 0 DGAERO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000187318501 432658093 /nfs/dbraw/zinc/65/80/93/432658093.db2.gz SFNOJIFILBNCSE-INIZCTEOSA-N 1 0 304.434 3.254 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1Br ZINC000218115006 432658747 /nfs/dbraw/zinc/65/87/47/432658747.db2.gz BTLXPPNNPWVDAD-DZGCQCFKSA-N 1 0 312.251 3.398 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)C(C)(C)Cc2ccccc2)[C@@H](C)C1 ZINC000158843322 432660645 /nfs/dbraw/zinc/66/06/45/432660645.db2.gz MFUGUYPCDDSTQW-RDJZCZTQSA-N 1 0 302.462 3.100 10 0 DGAERO C[C@@H](c1cccs1)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000219460941 432664773 /nfs/dbraw/zinc/66/47/73/432664773.db2.gz YAIVUNDIDNUXPR-GOEBONIOSA-N 1 0 305.443 3.319 10 0 DGAERO CCc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1F ZINC000159077791 432667557 /nfs/dbraw/zinc/66/75/57/432667557.db2.gz CUKFDTJGTMGMFK-HNNXBMFYSA-N 1 0 305.397 3.090 10 0 DGAERO CCn1c2cccc(F)c2nc1C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187928692 432693789 /nfs/dbraw/zinc/69/37/89/432693789.db2.gz BRBNUBLXMAUAOF-SCLBCKFNSA-N 1 0 319.424 3.178 10 0 DGAERO Cc1cc(Cl)ncc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178099908 432694363 /nfs/dbraw/zinc/69/43/63/432694363.db2.gz ATVQWFJTRMAULG-ZDUSSCGKSA-N 1 0 322.840 3.136 10 0 DGAERO Clc1cccc2c1CCN(CC[NH2+][C@H]1CCCSC1)C2 ZINC000188006851 432698424 /nfs/dbraw/zinc/69/84/24/432698424.db2.gz KNCICIJRXZIGKL-AWEZNQCLSA-N 1 0 310.894 3.183 10 0 DGAERO COCCC[C@H](C)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000178146344 432698395 /nfs/dbraw/zinc/69/83/95/432698395.db2.gz FUHAGRIQGJPGDP-HKUYNNGSSA-N 1 0 304.478 3.446 10 0 DGAERO CC(C)Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nncs2)cc1 ZINC000178137913 432698642 /nfs/dbraw/zinc/69/86/42/432698642.db2.gz HNBDLEQWFKJZGH-LBPRGKRZSA-N 1 0 318.446 3.026 10 0 DGAERO C[C@H]([NH2+]CC1(CCO)CC1)c1nc2ccc(Cl)cc2n1C ZINC000188056733 432701408 /nfs/dbraw/zinc/70/14/08/432701408.db2.gz SWHAJTIOSQSSLJ-NSHDSACASA-N 1 0 307.825 3.040 10 0 DGAERO Cc1nc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)sc1C ZINC000178183653 432704235 /nfs/dbraw/zinc/70/42/35/432704235.db2.gz YEPVIIIFXFZYOV-GFCCVEGCSA-N 1 0 313.430 3.191 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1 ZINC000188203650 432711192 /nfs/dbraw/zinc/71/11/92/432711192.db2.gz BZTJOJYRIMWIII-SJORKVTESA-N 1 0 314.408 3.325 10 0 DGAERO Cc1nc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)oc1C ZINC000274816091 432711308 /nfs/dbraw/zinc/71/13/08/432711308.db2.gz IYFRXAUWLZGUCS-KSSFIOAISA-N 1 0 313.445 3.292 10 0 DGAERO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000188222804 432713174 /nfs/dbraw/zinc/71/31/74/432713174.db2.gz FKNBJEZLZNIEAN-HOCLYGCPSA-N 1 0 311.491 3.486 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCOc1ccc(F)cc1 ZINC000178306737 432718169 /nfs/dbraw/zinc/71/81/69/432718169.db2.gz IFDSUNFKJAYCFF-KRWDZBQOSA-N 1 0 317.408 3.264 10 0 DGAERO COC[C@@H](C)C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000188358312 432719971 /nfs/dbraw/zinc/71/99/71/432719971.db2.gz QHFQDULIAKELDH-WFASDCNBSA-N 1 0 317.351 3.361 10 0 DGAERO [NH3+][C@H](c1cc(Cl)ccc1I)C1CC1 ZINC000229296668 432722152 /nfs/dbraw/zinc/72/21/52/432722152.db2.gz KGVKVXIABOEQQD-JTQLQIEISA-N 1 0 307.562 3.354 10 0 DGAERO COc1c(C)cnc(CN2CCO[C@@H](c3ccc(C)o3)C2)c1C ZINC000159115038 432670303 /nfs/dbraw/zinc/67/03/03/432670303.db2.gz SQPYEDRUKSTQBC-QGZVFWFLSA-N 1 0 316.401 3.182 10 0 DGAERO CCCn1c(C)nnc1CN(C)[C@H](C)Cc1ccc(C)cc1 ZINC000159149277 432672335 /nfs/dbraw/zinc/67/23/35/432672335.db2.gz DWXCRCCZGZZXCS-OAHLLOKOSA-N 1 0 300.450 3.368 10 0 DGAERO CCN(CCc1nccs1)CC(=O)NCCC1CCCCC1 ZINC000159189653 432674113 /nfs/dbraw/zinc/67/41/13/432674113.db2.gz LHZGTNSADWSOSB-UHFFFAOYSA-N 1 0 323.506 3.094 10 0 DGAERO Cc1cccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000159201351 432674745 /nfs/dbraw/zinc/67/47/45/432674745.db2.gz LIYLDCXWIAZWNE-APWZRJJASA-N 1 0 310.441 3.345 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)ccc1F ZINC000177931688 432675410 /nfs/dbraw/zinc/67/54/10/432675410.db2.gz TZEJMARHJUGWBP-MWLCHTKSSA-N 1 0 302.187 3.418 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000223241713 432677006 /nfs/dbraw/zinc/67/70/06/432677006.db2.gz BUYRIMYVHGHBLZ-UHFFFAOYSA-N 1 0 304.203 3.227 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000223247330 432677025 /nfs/dbraw/zinc/67/70/25/432677025.db2.gz DCAJOLXDPJWPMD-UHFFFAOYSA-N 1 0 319.232 3.071 10 0 DGAERO NC(=O)c1coc(C[NH2+][C@@H](c2cccs2)C2CCCC2)c1 ZINC000187705373 432678112 /nfs/dbraw/zinc/67/81/12/432678112.db2.gz GXFGSPZZUIQEHZ-OAHLLOKOSA-N 1 0 304.415 3.461 10 0 DGAERO Cc1cc([C@H](C)[NH2+]CCNC(=O)c2ccccc2)c(C)s1 ZINC000178020249 432684715 /nfs/dbraw/zinc/68/47/15/432684715.db2.gz LZYFEFCWSKIVLM-ZDUSSCGKSA-N 1 0 302.443 3.446 10 0 DGAERO COC[C@@H](C)C[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000187818756 432686917 /nfs/dbraw/zinc/68/69/17/432686917.db2.gz ZUQKGYIKEPPHAM-AWEZNQCLSA-N 1 0 311.853 3.260 10 0 DGAERO C[C@H]1CC[C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc21 ZINC000178054885 432689248 /nfs/dbraw/zinc/68/92/48/432689248.db2.gz LTIJLUJZZULRIG-KBXCAEBGSA-N 1 0 319.412 3.391 10 0 DGAERO CC1(C)C[C@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc21 ZINC000178055120 432689270 /nfs/dbraw/zinc/68/92/70/432689270.db2.gz CLOSXLOISKYBDK-KRWDZBQOSA-N 1 0 319.412 3.175 10 0 DGAERO c1ncn(-c2ncccc2C[NH2+][C@@H]2CCCCc3ccccc32)n1 ZINC000178055443 432689888 /nfs/dbraw/zinc/68/98/88/432689888.db2.gz YDLWKYYELWTZIP-GOSISDBHSA-N 1 0 319.412 3.220 10 0 DGAERO Cn1cc([C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)c2cccc(F)c2)cn1 ZINC000187862361 432690608 /nfs/dbraw/zinc/69/06/08/432690608.db2.gz FEDRZSULQVCAGB-SJORKVTESA-N 1 0 317.408 3.196 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000187891800 432691075 /nfs/dbraw/zinc/69/10/75/432691075.db2.gz MIHGECBXDQPNGP-MJGOQNOKSA-N 1 0 324.472 3.490 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000187909672 432691314 /nfs/dbraw/zinc/69/13/14/432691314.db2.gz PQJPDPBHKWOHBN-FZKQIMNGSA-N 1 0 318.392 3.464 10 0 DGAERO CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000236593259 432749483 /nfs/dbraw/zinc/74/94/83/432749483.db2.gz KMTSVKFUSYJCII-UHFFFAOYSA-N 1 0 312.413 3.460 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000236633522 432752266 /nfs/dbraw/zinc/75/22/66/432752266.db2.gz CDLYUNGWWVKQSN-UHFFFAOYSA-N 1 0 306.450 3.036 10 0 DGAERO COc1ccc(C[N@H+](C)CC2(CO)CC2)cc1OCCC(C)C ZINC000188958518 432755781 /nfs/dbraw/zinc/75/57/81/432755781.db2.gz KETLVVXCDPXIKA-UHFFFAOYSA-N 1 0 321.461 3.324 10 0 DGAERO Fc1ccccc1-c1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000178626647 432760047 /nfs/dbraw/zinc/76/00/47/432760047.db2.gz GLUNYZKEJWIIRM-CQSZACIVSA-N 1 0 317.433 3.229 10 0 DGAERO c1csc(-c2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000178631191 432760441 /nfs/dbraw/zinc/76/04/41/432760441.db2.gz OXTLLCNAQATYCT-CYBMUJFWSA-N 1 0 305.472 3.152 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CCCCC1 ZINC000189053372 432760761 /nfs/dbraw/zinc/76/07/61/432760761.db2.gz GMOVTOOILAVDFV-KSSFIOAISA-N 1 0 318.436 3.485 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c2c(c1)OCCO2 ZINC000178635244 432760957 /nfs/dbraw/zinc/76/09/57/432760957.db2.gz QDXYQYVNYLWZMJ-OAHLLOKOSA-N 1 0 303.402 3.039 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000275943338 432761665 /nfs/dbraw/zinc/76/16/65/432761665.db2.gz ZIEANYBPSCKDGS-HHXXYDBFSA-N 1 0 324.472 3.346 10 0 DGAERO C[C@H]1C(=O)NCCCN1Cc1sc2ccccc2c1Cl ZINC000189101833 432762942 /nfs/dbraw/zinc/76/29/42/432762942.db2.gz RYARUUWRQOWTCV-JTQLQIEISA-N 1 0 308.834 3.265 10 0 DGAERO COc1ccccc1-c1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000189089560 432763869 /nfs/dbraw/zinc/76/38/69/432763869.db2.gz LPHAQMKAGFUVNX-HNNXBMFYSA-N 1 0 324.424 3.073 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]cc2-c2ccc(C)s2)C1 ZINC000189200357 432769625 /nfs/dbraw/zinc/76/96/25/432769625.db2.gz VSKDGJSYDDNQKB-CYBMUJFWSA-N 1 0 317.458 3.266 10 0 DGAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000178719987 432770494 /nfs/dbraw/zinc/77/04/94/432770494.db2.gz MLUNEJMPRBHUNU-RYUDHWBXSA-N 1 0 303.454 3.400 10 0 DGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[S@](C)=O ZINC000178408281 432732354 /nfs/dbraw/zinc/73/23/54/432732354.db2.gz OEHYYMWBRYCUDT-JGRMJRGVSA-N 1 0 310.488 3.147 10 0 DGAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000275632466 432736788 /nfs/dbraw/zinc/73/67/88/432736788.db2.gz SMAIRXIOFWILRE-RDJZCZTQSA-N 1 0 311.385 3.176 10 0 DGAERO COCCC[C@@H](C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000178435272 432737211 /nfs/dbraw/zinc/73/72/11/432737211.db2.gz ANJCCIVIAARYSX-SNVBAGLBSA-N 1 0 304.203 3.493 10 0 DGAERO O=C(c1cc2cc(Cl)ccc2o1)N1CC[NH+]2CCC1CC2 ZINC000188660689 432737456 /nfs/dbraw/zinc/73/74/56/432737456.db2.gz BFEVZPXZHYEKTH-UHFFFAOYSA-N 1 0 304.777 3.006 10 0 DGAERO CC[C@@H]([NH3+])CNc1ncc(Br)cc1C(F)(F)F ZINC000233893429 432738313 /nfs/dbraw/zinc/73/83/13/432738313.db2.gz AWZYUOORRAVAHC-SSDOTTSWSA-N 1 0 312.133 3.012 10 0 DGAERO c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCCN(c4ncccn4)C3)C2)cc1 ZINC000275655255 432738333 /nfs/dbraw/zinc/73/83/33/432738333.db2.gz AMOVMZGSWHKQEQ-CEXWTWQISA-N 1 0 322.456 3.371 10 0 DGAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000234316126 432740605 /nfs/dbraw/zinc/74/06/05/432740605.db2.gz NHLIFGOXFKONFN-AWEZNQCLSA-N 1 0 312.816 3.216 10 0 DGAERO C/C(=C\C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000178479670 432742657 /nfs/dbraw/zinc/74/26/57/432742657.db2.gz KSWKURXBYMLCMS-OVCUNARHSA-N 1 0 304.821 3.143 10 0 DGAERO C[C@@H](CCO)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178496089 432743593 /nfs/dbraw/zinc/74/35/93/432743593.db2.gz AZVGMVDEHFABMW-GXFFZTMASA-N 1 0 314.223 3.023 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+][C@H](C)CN1CCCC1=O)CCCO2 ZINC000178494304 432743991 /nfs/dbraw/zinc/74/39/91/432743991.db2.gz VHXLUDIVGLAXFD-WBVHZDCISA-N 1 0 316.445 3.118 10 0 DGAERO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cccc2cc[nH]c21)C1CC1 ZINC000275737733 432744365 /nfs/dbraw/zinc/74/43/65/432744365.db2.gz PMNQYJJSWZUNTN-GOSISDBHSA-N 1 0 311.429 3.143 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000188796257 432745149 /nfs/dbraw/zinc/74/51/49/432745149.db2.gz BUQUOXUCSLPNNM-VXGBXAGGSA-N 1 0 300.358 3.231 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000245515144 432839094 /nfs/dbraw/zinc/83/90/94/432839094.db2.gz DBMDNFWWLGGZHP-OWCLPIDISA-N 1 0 318.461 3.096 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCCn1ccnc1C ZINC000162954934 432839096 /nfs/dbraw/zinc/83/90/96/432839096.db2.gz RQGMMQKNQIZEFF-KRWDZBQOSA-N 1 0 315.465 3.159 10 0 DGAERO Cc1ccoc1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162391137 432822800 /nfs/dbraw/zinc/82/28/00/432822800.db2.gz FVVQOCZQPDAGKU-IBGZPJMESA-N 1 0 312.413 3.373 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000245201170 432825492 /nfs/dbraw/zinc/82/54/92/432825492.db2.gz OWDBXNHFNSVECR-SJLPKXTDSA-N 1 0 302.462 3.388 10 0 DGAERO Cc1cc(Cl)cc(C)c1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000162585244 432827537 /nfs/dbraw/zinc/82/75/37/432827537.db2.gz WIWIPWYJMNLGBX-UHFFFAOYSA-N 1 0 308.853 3.257 10 0 DGAERO CC(C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245419209 432828396 /nfs/dbraw/zinc/82/83/96/432828396.db2.gz AVILRWXIFCHFPY-UONOGXRCSA-N 1 0 320.399 3.155 10 0 DGAERO CC[C@H]1C[N@H+](CCC(=O)NC(C)C)CC[C@H]1c1ccccc1 ZINC000245409260 432828434 /nfs/dbraw/zinc/82/84/34/432828434.db2.gz LHEDBADDCMEMIY-FUHWJXTLSA-N 1 0 302.462 3.417 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(SC)c(OC)c1 ZINC000245412345 432828555 /nfs/dbraw/zinc/82/85/55/432828555.db2.gz AKKUEPNDACJDSZ-CVEARBPZSA-N 1 0 320.502 3.476 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CCC2 ZINC000245428310 432829467 /nfs/dbraw/zinc/82/94/67/432829467.db2.gz ITSSJDHURSNBLX-ROUUACIJSA-N 1 0 313.445 3.266 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)Cc1cccs1 ZINC000245429558 432829725 /nfs/dbraw/zinc/82/97/25/432829725.db2.gz YRLJSQFLNAAKOH-CABCVRRESA-N 1 0 323.506 3.052 10 0 DGAERO CCc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)cc1 ZINC000245430749 432829903 /nfs/dbraw/zinc/82/99/03/432829903.db2.gz MENKBXPCQBHYRG-SJORKVTESA-N 1 0 301.434 3.340 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000245429819 432830010 /nfs/dbraw/zinc/83/00/10/432830010.db2.gz YZPVWASQXCFPOT-FUHWJXTLSA-N 1 0 317.477 3.224 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)ccc1F ZINC000245438315 432830401 /nfs/dbraw/zinc/83/04/01/432830401.db2.gz XVZSTAUFUPGUSV-KGLIPLIRSA-N 1 0 305.397 3.225 10 0 DGAERO CCOc1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000245433603 432830766 /nfs/dbraw/zinc/83/07/66/432830766.db2.gz QFPNCEDDNBWVLN-HOTGVXAUSA-N 1 0 317.433 3.176 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Cl)c(Br)c1)[C@H](C)CO ZINC000162673133 432831257 /nfs/dbraw/zinc/83/12/57/432831257.db2.gz PEIKGOWUECXLOE-RKDXNWHRSA-N 1 0 306.631 3.209 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2cccs2)o1 ZINC000245443261 432831597 /nfs/dbraw/zinc/83/15/97/432831597.db2.gz XBURMJFSFYDBML-KGLIPLIRSA-N 1 0 317.458 3.462 10 0 DGAERO O[C@@H](C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1cccc(Cl)c1 ZINC000245446337 432831954 /nfs/dbraw/zinc/83/19/54/432831954.db2.gz LBPBDKMMTNJDKD-HOTGVXAUSA-N 1 0 305.809 3.324 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N[C@H]1CCCc2sccc21 ZINC000162826422 432835756 /nfs/dbraw/zinc/83/57/56/432835756.db2.gz MIVHJZJLHPQHOW-HNNXBMFYSA-N 1 0 321.490 3.301 10 0 DGAERO COc1ccc(OC)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000245482403 432836843 /nfs/dbraw/zinc/83/68/43/432836843.db2.gz DFYVBXPAIXYNBE-SJORKVTESA-N 1 0 318.461 3.151 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000245497822 432836871 /nfs/dbraw/zinc/83/68/71/432836871.db2.gz UVJXLSBACGEISL-SMDDNHRTSA-N 1 0 322.478 3.215 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccc(Cl)c1F ZINC000161531116 432784886 /nfs/dbraw/zinc/78/48/86/432784886.db2.gz XGHIZDGWMSETMF-IUODEOHRSA-N 1 0 314.832 3.241 10 0 DGAERO CC(=O)NC1CCC([NH2+]C[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000161576896 432786299 /nfs/dbraw/zinc/78/62/99/432786299.db2.gz SWTLLMSSDXLFKL-VCANKDNSSA-N 1 0 310.388 3.105 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000237429826 432787042 /nfs/dbraw/zinc/78/70/42/432787042.db2.gz RQZRAHVAAAJZPN-PJWFHGOCSA-N 1 0 304.478 3.097 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccs1 ZINC000179035162 432797713 /nfs/dbraw/zinc/79/77/13/432797713.db2.gz WFBXTALFYCQOPT-ZIAGYGMSSA-N 1 0 309.479 3.229 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000237866294 432802763 /nfs/dbraw/zinc/80/27/63/432802763.db2.gz FPGWESLVGCWVJO-CJNGLKHVSA-N 1 0 320.864 3.395 10 0 DGAERO [NH3+][C@@H](CC(=O)N(C[C@H]1CCCO1)C1CCCC1)c1ccccc1 ZINC000237869123 432802996 /nfs/dbraw/zinc/80/29/96/432802996.db2.gz ISQNRLKEZJMKHV-MSOLQXFVSA-N 1 0 316.445 3.027 10 0 DGAERO C[C@H](C[N@H+](C)CCN(C)Cc1ccc(F)cc1)c1nccs1 ZINC000161882981 432803313 /nfs/dbraw/zinc/80/33/13/432803313.db2.gz ARCFELQEVAEJBI-CQSZACIVSA-N 1 0 321.465 3.450 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245518446 432838693 /nfs/dbraw/zinc/83/86/93/432838693.db2.gz AREPWDJTFLZWPW-IIAWOOMASA-N 1 0 320.864 3.214 10 0 DGAERO CC(C)Cc1ncc(C[NH2+]C[C@@H](c2ccco2)N(C)C)s1 ZINC000161950739 432806123 /nfs/dbraw/zinc/80/61/23/432806123.db2.gz INYVSGGHBXHOBJ-AWEZNQCLSA-N 1 0 307.463 3.327 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2cc(O)ccc2Br)O1 ZINC000189713938 432812845 /nfs/dbraw/zinc/81/28/45/432812845.db2.gz HWJKIVNBBQTDKE-LBPRGKRZSA-N 1 0 314.223 3.202 10 0 DGAERO CCOc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000245737084 432859827 /nfs/dbraw/zinc/85/98/27/432859827.db2.gz LAFXZJDQGRBXJA-HOCLYGCPSA-N 1 0 306.450 3.008 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H](c2ccccc2)C2CC2)CC[N@@H+]1C ZINC000245756183 432861339 /nfs/dbraw/zinc/86/13/39/432861339.db2.gz OYQYQUNNNRPOQX-ZTFGCOKTSA-N 1 0 300.446 3.121 10 0 DGAERO C[C@H](C(=O)NCCCc1cccc(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245789215 432863287 /nfs/dbraw/zinc/86/32/87/432863287.db2.gz ADZMTFMZSCMQEB-QLFBSQMISA-N 1 0 306.425 3.136 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)C2CC2)CN1Cc1ccccc1 ZINC000245832050 432864148 /nfs/dbraw/zinc/86/41/48/432864148.db2.gz AFNUXGGNDDYEEE-MNEFBYGVSA-N 1 0 324.472 3.124 10 0 DGAERO COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000245853141 432864899 /nfs/dbraw/zinc/86/48/99/432864899.db2.gz MVWSKXLIKVHEEY-AEFFLSMTSA-N 1 0 302.462 3.359 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000245885790 432867283 /nfs/dbraw/zinc/86/72/83/432867283.db2.gz AEMWALJQWIDYAO-WMZOPIPTSA-N 1 0 315.461 3.244 10 0 DGAERO CNC(=O)[C@H]([NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1)C(C)C ZINC000245885365 432867597 /nfs/dbraw/zinc/86/75/97/432867597.db2.gz ORPLVWGFQMLFGU-YWPYICTPSA-N 1 0 319.474 3.149 10 0 DGAERO CCCOc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000245902728 432869085 /nfs/dbraw/zinc/86/90/85/432869085.db2.gz OCZODRJYXJFLTC-DJIMGWMZSA-N 1 0 304.434 3.164 10 0 DGAERO CC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccc(OC)cc1 ZINC000245944459 432872234 /nfs/dbraw/zinc/87/22/34/432872234.db2.gz VJCITLKGVKYFEX-JLSDUUJJSA-N 1 0 318.461 3.034 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000245954694 432872262 /nfs/dbraw/zinc/87/22/62/432872262.db2.gz QIENNAUCUXVZFA-ILXRZTDVSA-N 1 0 306.475 3.103 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245978613 432873445 /nfs/dbraw/zinc/87/34/45/432873445.db2.gz XUXTYHWQTPUBEM-KBXIAJHMSA-N 1 0 306.475 3.005 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245972972 432873459 /nfs/dbraw/zinc/87/34/59/432873459.db2.gz FUVLPXIEXGRQQI-BBRMVZONSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000246002988 432874003 /nfs/dbraw/zinc/87/40/03/432874003.db2.gz SBZAEGOSNZYWKR-KYJSFNMBSA-N 1 0 318.461 3.142 10 0 DGAERO CCc1csc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000163007348 432839987 /nfs/dbraw/zinc/83/99/87/432839987.db2.gz DKWNPYYMFBIFFH-ZBFHGGJFSA-N 1 0 307.507 3.369 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000245537285 432840799 /nfs/dbraw/zinc/84/07/99/432840799.db2.gz ISNVMHUVOAXIIF-OAGGEKHMSA-N 1 0 313.445 3.201 10 0 DGAERO O[C@@H](c1ccc(F)cc1)C1CCN(CCC[NH+]2CCCC2)CC1 ZINC000163112392 432843884 /nfs/dbraw/zinc/84/38/84/432843884.db2.gz UEFCPNUICKLXLO-IBGZPJMESA-N 1 0 320.452 3.057 10 0 DGAERO CCCOc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000245566852 432846499 /nfs/dbraw/zinc/84/64/99/432846499.db2.gz TYUJSVDHWJRBSW-RHSMWYFYSA-N 1 0 319.449 3.326 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245570153 432846668 /nfs/dbraw/zinc/84/66/68/432846668.db2.gz BAWSYSKWEIAMGA-PKOBYXMFSA-N 1 0 316.489 3.343 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000163212340 432846882 /nfs/dbraw/zinc/84/68/82/432846882.db2.gz PBKCIADSAMKAPL-MNOVXSKESA-N 1 0 303.233 3.041 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)c(OC)c(C)c1 ZINC000245585085 432848158 /nfs/dbraw/zinc/84/81/58/432848158.db2.gz JANNKMSBTKRHFD-IRXDYDNUSA-N 1 0 316.445 3.011 10 0 DGAERO C[N@@H+]1CC[C@@H](Nc2ccc(C(F)(F)F)nn2)[C@H]1c1ccccc1 ZINC000245595086 432848229 /nfs/dbraw/zinc/84/82/29/432848229.db2.gz LKOUCDWOKADBLB-IUODEOHRSA-N 1 0 322.334 3.353 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@H]3CCC[C@@H](C)C3)CC2)nn1 ZINC000245606714 432848753 /nfs/dbraw/zinc/84/87/53/432848753.db2.gz MPROOJJTRDZXSE-WBVHZDCISA-N 1 0 302.466 3.123 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245622715 432850808 /nfs/dbraw/zinc/85/08/08/432850808.db2.gz XGOJBRUVXBUIQO-RDJZCZTQSA-N 1 0 318.461 3.114 10 0 DGAERO C[C@@H]1CCC[C@@H](C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245634824 432851138 /nfs/dbraw/zinc/85/11/38/432851138.db2.gz WPONGZLQKSQQQS-ZACQAIPSSA-N 1 0 302.466 3.204 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1C ZINC000245624696 432851718 /nfs/dbraw/zinc/85/17/18/432851718.db2.gz PVRDEBPRGJUVLR-DYVFJYSZSA-N 1 0 317.433 3.048 10 0 DGAERO CCC[C@@H](C[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000245643938 432852408 /nfs/dbraw/zinc/85/24/08/432852408.db2.gz FDMSBRNWTHATFO-DLBZAZTESA-N 1 0 314.433 3.070 10 0 DGAERO CCC(CC)n1ncc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1C ZINC000245654005 432852784 /nfs/dbraw/zinc/85/27/84/432852784.db2.gz KSKKFHVTHSJWPD-DYVFJYSZSA-N 1 0 320.481 3.011 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)C1 ZINC000245652659 432852985 /nfs/dbraw/zinc/85/29/85/432852985.db2.gz CBHUOOUVKBENMT-JYJNAYRXSA-N 1 0 319.449 3.247 10 0 DGAERO CN1CC[C@H](NC(=O)CC2CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245662541 432854249 /nfs/dbraw/zinc/85/42/49/432854249.db2.gz HWSMQIHXKHPUMS-DOTOQJQBSA-N 1 0 308.372 3.016 10 0 DGAERO C[C@@H]1C(=O)CC[C@@H](c2nc(-c3ccn4c[nH+]cc4c3)no2)C1(C)C ZINC000289107329 432922565 /nfs/dbraw/zinc/92/25/65/432922565.db2.gz LOKUWTLAFVJFGV-RISCZKNCSA-N 1 0 324.384 3.493 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)n(-c2ccccc2)n1 ZINC000279237673 432948618 /nfs/dbraw/zinc/94/86/18/432948618.db2.gz ZLVNWSXBCCNMHA-MRXNPFEDSA-N 1 0 311.429 3.454 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000248217867 292695783 /nfs/dbraw/zinc/69/57/83/292695783.db2.gz ZZJWBXFJQRADGL-BRSBDYLESA-N 1 0 321.436 3.176 10 0 DGAERO Cc1noc(C)c1-c1noc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000333261773 433044738 /nfs/dbraw/zinc/04/47/38/433044738.db2.gz UPKGKCIFYNCTKP-ZDUSSCGKSA-N 1 0 302.378 3.421 10 0 DGAERO c1ccc(C[N@@H+]2CC[C@H](N3CCC=C(c4cccnc4)C3)C2)cc1 ZINC000297792345 433017879 /nfs/dbraw/zinc/01/78/79/433017879.db2.gz WXDLAQXRXUYYSW-NRFANRHFSA-N 1 0 319.452 3.445 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000333203091 433039442 /nfs/dbraw/zinc/03/94/42/433039442.db2.gz YMJWAJPMUIPPHD-DGCLKSJQSA-N 1 0 322.478 3.310 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000333203095 433039737 /nfs/dbraw/zinc/03/97/37/433039737.db2.gz YMJWAJPMUIPPHD-YPMHNXCESA-N 1 0 322.478 3.310 10 0 DGAERO Brc1cncc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000341386303 433044200 /nfs/dbraw/zinc/04/42/00/433044200.db2.gz YSAXGQNHBCUYLR-OAHLLOKOSA-N 1 0 318.218 3.480 10 0 DGAERO CN(C)C(=O)c1cccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246199403 289032992 /nfs/dbraw/zinc/03/29/92/289032992.db2.gz WSWMCXSTBQJUNH-SJORKVTESA-N 1 0 318.486 3.248 10 0 DGAERO O=C(Nc1ccc2cnccc2c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333267076 433046442 /nfs/dbraw/zinc/04/64/42/433046442.db2.gz FPFZTSPLKXUZHB-GOSISDBHSA-N 1 0 324.428 3.231 10 0 DGAERO C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1c(F)cccc1F ZINC000120576099 289261961 /nfs/dbraw/zinc/26/19/61/289261961.db2.gz TXQGTBBRBGSLAM-ZDUSSCGKSA-N 1 0 322.399 3.155 10 0 DGAERO Clc1cccc(-c2noc(N3CCC[N@@H+]4CCC[C@H]4C3)n2)c1 ZINC000372948261 433065885 /nfs/dbraw/zinc/06/58/85/433065885.db2.gz LPDKBQRRQIDIAP-AWEZNQCLSA-N 1 0 318.808 3.065 10 0 DGAERO c1ccc(CN2CC[C@H]([NH+]3CCC([C@H]4CCCO4)CC3)C2)cc1 ZINC000298260761 433072311 /nfs/dbraw/zinc/07/23/11/433072311.db2.gz FOQCZAQSHHQKCE-VQTJNVASSA-N 1 0 314.473 3.152 10 0 DGAERO Cc1ncsc1CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000453312050 433082519 /nfs/dbraw/zinc/08/25/19/433082519.db2.gz TYVKBISBQGIWTL-UHFFFAOYSA-N 1 0 302.443 3.331 10 0 DGAERO c1ccc2c(c1)CO[C@@]21CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000373106920 433092415 /nfs/dbraw/zinc/09/24/15/433092415.db2.gz NYNVEWMPLONFSM-RBUKOAKNSA-N 1 0 317.429 3.051 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@H](COCc2ccccc2)C(C)C)[nH]n1 ZINC000446937462 433133485 /nfs/dbraw/zinc/13/34/85/433133485.db2.gz DJJSJMPNWRHXLF-HNAYVOBHSA-N 1 0 315.461 3.480 10 0 DGAERO O[C@H]1CCCC[C@@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000453347758 433108169 /nfs/dbraw/zinc/10/81/69/433108169.db2.gz KZPWSUWQYWBFEY-AITUJVMLSA-N 1 0 303.446 3.295 10 0 DGAERO c1sc2ccccc2c1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000373162970 433109519 /nfs/dbraw/zinc/10/95/19/433109519.db2.gz FRJWZKFVOJRFAB-RHSMWYFYSA-N 1 0 303.427 3.329 10 0 DGAERO Cc1ccc2c(c1)CN(C(=O)[C@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000361336174 433114123 /nfs/dbraw/zinc/11/41/23/433114123.db2.gz NBMRQGYOEFJUIP-IBGZPJMESA-N 1 0 308.425 3.010 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447307081 433182489 /nfs/dbraw/zinc/18/24/89/433182489.db2.gz WSXSFVGIRWOTLL-LBPRGKRZSA-N 1 0 316.228 3.421 10 0 DGAERO c1ccc([C@H]([NH2+]Cc2cccc3c2OCO3)[C@H]2CCOC2)cc1 ZINC000374486438 433205249 /nfs/dbraw/zinc/20/52/49/433205249.db2.gz HDOASKPMHUFMKD-WMZOPIPTSA-N 1 0 311.381 3.283 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)cn2)nc1 ZINC000425420006 433234881 /nfs/dbraw/zinc/23/48/81/433234881.db2.gz LRNOGRKTWUVHIX-GOSISDBHSA-N 1 0 323.440 3.392 10 0 DGAERO Brc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)o1 ZINC000361554814 433242595 /nfs/dbraw/zinc/24/25/95/433242595.db2.gz VNGJECVXRBSMMQ-JQWIXIFHSA-N 1 0 300.196 3.043 10 0 DGAERO c1cc(CN2CCOC[C@@H]2CC2CCC2)c2c(c1)OCCCO2 ZINC000354733391 433243604 /nfs/dbraw/zinc/24/36/04/433243604.db2.gz PULQWGFVXMWRPN-KRWDZBQOSA-N 1 0 317.429 3.239 10 0 DGAERO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)O1 ZINC000453629169 433248657 /nfs/dbraw/zinc/24/86/57/433248657.db2.gz LBHALAZFSGKLSK-XJKSGUPXSA-N 1 0 305.418 3.299 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)[C@@H](C)c1ccccc1 ZINC000374792744 433279763 /nfs/dbraw/zinc/27/97/63/433279763.db2.gz KXTNSUYEUOOOJX-NEPXVJNWSA-N 1 0 317.473 3.336 10 0 DGAERO CN(c1ccccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000261882906 289785876 /nfs/dbraw/zinc/78/58/76/289785876.db2.gz UJLMFWUIQYILOP-GDBMZVCRSA-N 1 0 315.461 3.379 10 0 DGAERO COc1ccc(C(C)(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000158289819 292766158 /nfs/dbraw/zinc/76/61/58/292766158.db2.gz ZWRYLUKDVFGDDH-INIZCTEOSA-N 1 0 320.477 3.065 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448034366 433355110 /nfs/dbraw/zinc/35/51/10/433355110.db2.gz HRSANKDQSBZJNJ-HZPDHXFCSA-N 1 0 307.482 3.105 10 0 DGAERO c1cc(CN2CCOCC2)ccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000420972685 433362388 /nfs/dbraw/zinc/36/23/88/433362388.db2.gz MHPUMWHVBHCFJA-UHFFFAOYSA-N 1 0 314.473 3.331 10 0 DGAERO c1[nH+]cn2ccc(-c3noc([C@H]4CCOc5ccccc54)n3)cc12 ZINC000351097654 433371091 /nfs/dbraw/zinc/37/10/91/433371091.db2.gz RKTJRJAURCRTHT-HNNXBMFYSA-N 1 0 318.336 3.299 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)n(-c2ccccc2)n1 ZINC000448339214 433385426 /nfs/dbraw/zinc/38/54/26/433385426.db2.gz KWFYZBUDWMYSMV-SJORKVTESA-N 1 0 311.429 3.121 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)n(-c2ccccc2)n1 ZINC000448339213 433388100 /nfs/dbraw/zinc/38/81/00/433388100.db2.gz KWFYZBUDWMYSMV-IRXDYDNUSA-N 1 0 311.429 3.121 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)n(-c2ccccc2)n1 ZINC000448343036 433393100 /nfs/dbraw/zinc/39/31/00/433393100.db2.gz IRHPKYNCDRRBLE-IBGZPJMESA-N 1 0 311.429 3.265 10 0 DGAERO CC(C)(C)c1ncc(C[NH+]2CCC(C3CCOCC3)CC2)cn1 ZINC000375268701 433401933 /nfs/dbraw/zinc/40/19/33/433401933.db2.gz OCXIJAXMVHNXTK-UHFFFAOYSA-N 1 0 317.477 3.413 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]CCCc1ccccc1 ZINC000291976390 433413879 /nfs/dbraw/zinc/41/38/79/433413879.db2.gz RHQCTEYFLCYOEY-UHFFFAOYSA-N 1 0 306.413 3.049 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](CCc3cccnc3)C2)n2c1CCCC2 ZINC000281880772 433414943 /nfs/dbraw/zinc/41/49/43/433414943.db2.gz AHFZDKHFFWPWCR-QGZVFWFLSA-N 1 0 310.445 3.037 10 0 DGAERO C[C@@H]1CN(Cc2cncs2)CC[N@H+](Cc2ccccc2)C1 ZINC000448552082 433416012 /nfs/dbraw/zinc/41/60/12/433416012.db2.gz LFUXKXGLWJDCAP-HNNXBMFYSA-N 1 0 301.459 3.097 10 0 DGAERO Clc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc2c1OCCO2 ZINC000375301625 433416299 /nfs/dbraw/zinc/41/62/99/433416299.db2.gz HBPSXVBVXYJJKO-KRWDZBQOSA-N 1 0 323.820 3.114 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCC(=O)N(C)C ZINC000342023390 433419453 /nfs/dbraw/zinc/41/94/53/433419453.db2.gz LHNLEYHBVRPIKC-XFXZXTDPSA-N 1 0 314.351 3.177 10 0 DGAERO CCC[C@@](C)(CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000158605830 292772812 /nfs/dbraw/zinc/77/28/12/292772812.db2.gz KVSQYLHOARBQPF-ZDUSSCGKSA-N 1 0 304.203 3.229 10 0 DGAERO CCOc1ccccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375408120 433453768 /nfs/dbraw/zinc/45/37/68/433453768.db2.gz BFABMUQWXGZDSR-HNNXBMFYSA-N 1 0 313.401 3.335 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1C ZINC000375417463 433458889 /nfs/dbraw/zinc/45/88/89/433458889.db2.gz VCAXCUFPQRMDIW-OAHLLOKOSA-N 1 0 313.401 3.254 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCC[S@@](C)=O ZINC000342097393 433465965 /nfs/dbraw/zinc/46/59/65/433465965.db2.gz HDQSBRFYJKSATE-ZDKIGPTLSA-N 1 0 319.392 3.467 10 0 DGAERO C[N@@H+]1CC[C@@H]2CN(C(=O)C3=C(c4ccccc4)CCCC3)C[C@@H]21 ZINC000456171543 290161651 /nfs/dbraw/zinc/16/16/51/290161651.db2.gz RGYOHKBVFBICIJ-APWZRJJASA-N 1 0 310.441 3.177 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000159352737 292791173 /nfs/dbraw/zinc/79/11/73/292791173.db2.gz SVYSMPYIXQLDMJ-KSSFIOAISA-N 1 0 324.440 3.320 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC(C)C)c(OC)c1 ZINC000361992528 433484555 /nfs/dbraw/zinc/48/45/55/433484555.db2.gz IHACVXPWHDVCSP-OAHLLOKOSA-N 1 0 320.433 3.295 10 0 DGAERO Cc1nsc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000301337189 433515186 /nfs/dbraw/zinc/51/51/86/433515186.db2.gz DHOACTVSVBGVJJ-HNNXBMFYSA-N 1 0 302.447 3.313 10 0 DGAERO c1cn(-c2ccc(C[NH2+]C[C@H]3CC34CCSCC4)cc2)cn1 ZINC000421347593 433489598 /nfs/dbraw/zinc/48/95/98/433489598.db2.gz FTLXIYMTMWQJPN-MRXNPFEDSA-N 1 0 313.470 3.495 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000292169439 433490274 /nfs/dbraw/zinc/49/02/74/433490274.db2.gz PMMYBJXJBWJNFK-FQEVSTJZSA-N 1 0 314.473 3.342 10 0 DGAERO CCCn1cc(C[NH2+][C@@H](C)CCOCc2ccccc2)cn1 ZINC000342248375 433563739 /nfs/dbraw/zinc/56/37/39/433563739.db2.gz NXSOGMDAJZMBFC-INIZCTEOSA-N 1 0 301.434 3.378 10 0 DGAERO COc1cc(C)nc(C[NH2+][C@@H](C)CCOCc2ccccc2)c1 ZINC000342273365 433581159 /nfs/dbraw/zinc/58/11/59/433581159.db2.gz ULKHBADDJYITLH-HNNXBMFYSA-N 1 0 314.429 3.484 10 0 DGAERO Brc1csc(CN2CCC23CCOCC3)c1 ZINC000375732759 433543583 /nfs/dbraw/zinc/54/35/83/433543583.db2.gz RQLWZORPWCHXNB-UHFFFAOYSA-N 1 0 302.237 3.266 10 0 DGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000456379743 433631281 /nfs/dbraw/zinc/63/12/81/433631281.db2.gz NEQVQHHWWYEVTJ-IIAWOOMASA-N 1 0 322.399 3.011 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000161777185 292841429 /nfs/dbraw/zinc/84/14/29/292841429.db2.gz FSSYUQPFMVYQAY-BPLDGKMQSA-N 1 0 324.415 3.161 10 0 DGAERO Clc1ccc2c(cc3n2CCN(CCn2ccnc2)C3)c1 ZINC000375980886 433632961 /nfs/dbraw/zinc/63/29/61/433632961.db2.gz NCKSXYLRCQMNCG-UHFFFAOYSA-N 1 0 300.793 3.007 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@H]1SC ZINC000362313369 433636738 /nfs/dbraw/zinc/63/67/38/433636738.db2.gz SVXPHIPICZGINL-NWANDNLSSA-N 1 0 315.866 3.347 10 0 DGAERO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(F)cc(F)c1 ZINC000162533013 292855235 /nfs/dbraw/zinc/85/52/35/292855235.db2.gz FHJONFPMYAMVQT-LBPRGKRZSA-N 1 0 304.340 3.045 10 0 DGAERO CC(C)c1cnc(CN2C[C@]3(CCOC3)OC(C)(C)C2)s1 ZINC000376017295 433642926 /nfs/dbraw/zinc/64/29/26/433642926.db2.gz CDOYEIGTJQFFCB-INIZCTEOSA-N 1 0 310.463 3.036 10 0 DGAERO c1ccc(-c2noc(C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)n2)cc1 ZINC000375867261 433601471 /nfs/dbraw/zinc/60/14/71/433601471.db2.gz CTUNPXPRCORKFD-INIZCTEOSA-N 1 0 320.396 3.196 10 0 DGAERO C[C@@H]1C[C@@H](Nc2ccc(-c3ccc(F)cc3)nn2)C[N@@H+]1C1CC1 ZINC000301542727 433603431 /nfs/dbraw/zinc/60/34/31/433603431.db2.gz CUXJPLYTUFOGLJ-IUODEOHRSA-N 1 0 312.392 3.320 10 0 DGAERO c1sc(C2CC2)nc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000339502707 433625476 /nfs/dbraw/zinc/62/54/76/433625476.db2.gz RJNBQGUCYYADDF-UHFFFAOYSA-N 1 0 300.431 3.020 10 0 DGAERO Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000376058394 433653776 /nfs/dbraw/zinc/65/37/76/433653776.db2.gz PPZNUXSRBJYHRB-DNVCBOLYSA-N 1 0 313.445 3.026 10 0 DGAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC23CCC3)C1 ZINC000376094078 433664143 /nfs/dbraw/zinc/66/41/43/433664143.db2.gz KFMZPVVDFJYFED-MRXNPFEDSA-N 1 0 307.482 3.227 10 0 DGAERO C[C@@H]1CN(Cc2ccc(Br)c(F)c2)C[C@@H](C)[NH+]1C ZINC000339623099 433690882 /nfs/dbraw/zinc/69/08/82/433690882.db2.gz WEOPUJZNOHHLJB-GHMZBOCLSA-N 1 0 315.230 3.113 10 0 DGAERO c1ccc2c(c1)CCC[C@H]2[NH+]1CCC(Oc2cnccn2)CC1 ZINC000376033352 433650266 /nfs/dbraw/zinc/65/02/66/433650266.db2.gz SVMVGYPMSLUIHB-GOSISDBHSA-N 1 0 309.413 3.397 10 0 DGAERO Cc1ccc2cc(C[NH2+][C@@H]3CCCc4nn(C)cc43)ccc2n1 ZINC000366977642 293010172 /nfs/dbraw/zinc/01/01/72/293010172.db2.gz VBNGFEMDAWESJN-GOSISDBHSA-N 1 0 306.413 3.444 10 0 DGAERO COCCCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000366986643 293010643 /nfs/dbraw/zinc/01/06/43/293010643.db2.gz JCMOERYHSVJRBG-MSOLQXFVSA-N 1 0 322.493 3.059 10 0 DGAERO c1ccc(COc2ccnc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000367013385 293013559 /nfs/dbraw/zinc/01/35/59/293013559.db2.gz NEJMJLAPGKBONH-SJORKVTESA-N 1 0 324.428 3.094 10 0 DGAERO C[C@H](O)C[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000367196756 293036322 /nfs/dbraw/zinc/03/63/22/293036322.db2.gz UCHPGALEHBPEIQ-GJZGRUSLSA-N 1 0 321.465 3.143 10 0 DGAERO CCC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cccnc1 ZINC000367243603 293042956 /nfs/dbraw/zinc/04/29/56/293042956.db2.gz AUEWLRAVISUSJA-BZSNNMDCSA-N 1 0 318.461 3.080 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2ccc3occc3c2)n1 ZINC000367300116 293050284 /nfs/dbraw/zinc/05/02/84/293050284.db2.gz LKCIGVWGEVSGHC-QGZVFWFLSA-N 1 0 310.401 3.306 10 0 DGAERO CC(C)[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000367382310 293065314 /nfs/dbraw/zinc/06/53/14/293065314.db2.gz SELKTOFOGRVQSY-OWCLPIDISA-N 1 0 311.491 3.433 10 0 DGAERO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000376216217 433695174 /nfs/dbraw/zinc/69/51/74/433695174.db2.gz QRKDDBYPNXZJTP-HNNXBMFYSA-N 1 0 322.412 3.054 10 0 DGAERO Brc1csc(C[NH2+][C@@H]2CCCc3n[nH]cc32)c1 ZINC000367598191 293088758 /nfs/dbraw/zinc/08/87/58/293088758.db2.gz DDFGSFVWKDHPOA-LLVKDONJSA-N 1 0 312.236 3.401 10 0 DGAERO Cc1ccnc(C2CC[NH+](CCOc3ccc(F)cc3)CC2)n1 ZINC000368219619 293105822 /nfs/dbraw/zinc/10/58/22/293105822.db2.gz LITLHPUDENOWTL-UHFFFAOYSA-N 1 0 315.392 3.183 10 0 DGAERO Cc1nccc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000368450830 293123914 /nfs/dbraw/zinc/12/39/14/293123914.db2.gz TUBQZRZPULCIKB-UHFFFAOYSA-N 1 0 321.428 3.240 10 0 DGAERO c1sc(-c2ccccn2)nc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000368501631 293128122 /nfs/dbraw/zinc/12/81/22/293128122.db2.gz CBHORBWXFQPJIC-QGZVFWFLSA-N 1 0 315.442 3.208 10 0 DGAERO c1cc(C[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)ccn1 ZINC000371678675 293223234 /nfs/dbraw/zinc/22/32/34/293223234.db2.gz AXRNIDMNGOASOQ-SFHVURJKSA-N 1 0 322.456 3.141 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](C)CCN2CC(=O)NCc2ccco2)o1 ZINC000362433723 433710892 /nfs/dbraw/zinc/71/08/92/433710892.db2.gz HPDPQRGKVDLLAJ-CJNGLKHVSA-N 1 0 316.401 3.270 10 0 DGAERO Cc1nccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000373643792 293301386 /nfs/dbraw/zinc/30/13/86/293301386.db2.gz JMGJCZBBWWHCIU-AWEZNQCLSA-N 1 0 308.385 3.306 10 0 DGAERO O[C@H](C[NH+]1CCC(c2cccc(F)c2)CC1)CC(F)(F)F ZINC000373739805 293311990 /nfs/dbraw/zinc/31/19/90/293311990.db2.gz BQYWLJNBIIBYDM-AWEZNQCLSA-N 1 0 305.315 3.318 10 0 DGAERO CCCCc1noc([C@H](C)N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374170904 293361090 /nfs/dbraw/zinc/36/10/90/293361090.db2.gz BHFMLFJSGAMLIL-HNNXBMFYSA-N 1 0 320.481 3.281 10 0 DGAERO O=C(c1ccoc1C1CC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000374227230 293368677 /nfs/dbraw/zinc/36/86/77/293368677.db2.gz DLNUDEQNBBLUNK-AWEZNQCLSA-N 1 0 302.418 3.105 10 0 DGAERO c1n[nH]cc1C1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000374304032 293381616 /nfs/dbraw/zinc/38/16/16/293381616.db2.gz YMCDPTPEQSEIKW-UHFFFAOYSA-N 1 0 307.401 3.179 10 0 DGAERO c1csc(-c2cnc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)o2)c1 ZINC000362455783 433727903 /nfs/dbraw/zinc/72/79/03/433727903.db2.gz TYRYDWUYXCPADN-OLZOCXBDSA-N 1 0 304.415 3.404 10 0 DGAERO CS(=O)(=O)CC1CCC([NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000449370891 433738912 /nfs/dbraw/zinc/73/89/12/433738912.db2.gz OAURBQHBZWGRAF-OKEQZYBDSA-N 1 0 313.507 3.148 10 0 DGAERO O=C(Cc1ccc(Cl)c(F)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000456680116 433772403 /nfs/dbraw/zinc/77/24/03/433772403.db2.gz DDQAMLQBTXJGFR-UHFFFAOYSA-N 1 0 324.827 3.155 10 0 DGAERO c1cnc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC13CCSCC3)CC2 ZINC000421868259 433781881 /nfs/dbraw/zinc/78/18/81/433781881.db2.gz CRTKYZHMQXWEHH-HOTGVXAUSA-N 1 0 302.487 3.452 10 0 DGAERO Cc1cccc([C@H]2CCCN2C(=O)CC2CC[NH+](C)CC2)c1 ZINC000376837924 433826456 /nfs/dbraw/zinc/82/64/56/433826456.db2.gz YRZQEOMXJRNKFE-GOSISDBHSA-N 1 0 300.446 3.390 10 0 DGAERO c1cc(CNCC[NH2+]C2CCCCCC2)n(-c2ccccc2)n1 ZINC000414807321 433850579 /nfs/dbraw/zinc/85/05/79/433850579.db2.gz NXAVIUXKSSCFCZ-UHFFFAOYSA-N 1 0 312.461 3.274 10 0 DGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000339985183 433878041 /nfs/dbraw/zinc/87/80/41/433878041.db2.gz KKQWDILIASAKIP-FCZZECIWSA-N 1 0 319.445 3.043 10 0 DGAERO CC(C)CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)C1CC1 ZINC000377409156 293657442 /nfs/dbraw/zinc/65/74/42/293657442.db2.gz AWUFSJQPOCNHBK-OKZBNKHCSA-N 1 0 309.494 3.359 10 0 DGAERO C/C(=C\C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000377561695 433915802 /nfs/dbraw/zinc/91/58/02/433915802.db2.gz JANHEHOPBSTKDN-PMXLPMHFSA-N 1 0 318.848 3.345 10 0 DGAERO CN(CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1)CC(F)(F)F ZINC000436246307 433917569 /nfs/dbraw/zinc/91/75/69/433917569.db2.gz PWFURIXSHDGQLL-GJZGRUSLSA-N 1 0 300.368 3.406 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc(C)nc2C(C)C)CC1 ZINC000450003119 433920397 /nfs/dbraw/zinc/92/03/97/433920397.db2.gz FWYGJBYYCRCVIR-UHFFFAOYSA-N 1 0 317.477 3.365 10 0 DGAERO Brc1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)nc1 ZINC000340106644 433924645 /nfs/dbraw/zinc/92/46/45/433924645.db2.gz RANVNQNJHAEROY-OAHLLOKOSA-N 1 0 318.218 3.480 10 0 DGAERO CC(=O)c1cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000352120056 433926405 /nfs/dbraw/zinc/92/64/05/433926405.db2.gz HKLNBDFNJDRZTJ-LBPRGKRZSA-N 1 0 321.396 3.024 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc(O)c1 ZINC000357250731 433927059 /nfs/dbraw/zinc/92/70/59/433927059.db2.gz BMCPUYHNJTXLPZ-HZPDHXFCSA-N 1 0 324.424 3.127 10 0 DGAERO OC[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccsc1)c1ccccc1 ZINC000436304823 433934410 /nfs/dbraw/zinc/93/44/10/433934410.db2.gz FJRRXAKBNLQYPD-MRXNPFEDSA-N 1 0 313.426 3.004 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)C2(C)CCC2)[C@H]1c1cccs1 ZINC000362863785 433889500 /nfs/dbraw/zinc/88/95/00/433889500.db2.gz LWWZAKVEBLJEMY-ZFWWWQNUSA-N 1 0 306.475 3.437 10 0 DGAERO C[C@H](CNC(=O)NC1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000303487948 433944528 /nfs/dbraw/zinc/94/45/28/433944528.db2.gz RNLJNEJVKPPXCQ-OAHLLOKOSA-N 1 0 303.450 3.139 10 0 DGAERO c1cc(-c2ccc(C[NH2+]Cc3cncnc3)cc2)cc2c1OCC2 ZINC000340175358 433956296 /nfs/dbraw/zinc/95/62/96/433956296.db2.gz XRTALGLRQWYEHH-UHFFFAOYSA-N 1 0 317.392 3.368 10 0 DGAERO CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000457059039 433960180 /nfs/dbraw/zinc/96/01/80/433960180.db2.gz WKOAPXVVFFHYKA-ZFWWWQNUSA-N 1 0 322.399 3.059 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000363250040 434007212 /nfs/dbraw/zinc/00/72/12/434007212.db2.gz IGACCSSDCONZMJ-NJAFHUGGSA-N 1 0 315.461 3.025 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000363250041 434008198 /nfs/dbraw/zinc/00/81/98/434008198.db2.gz IGACCSSDCONZMJ-NXHRZFHOSA-N 1 0 315.461 3.025 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000394904198 293835052 /nfs/dbraw/zinc/83/50/52/293835052.db2.gz HSASDESFDWAEEG-GWCFXTLKSA-N 1 0 316.214 3.229 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000394910578 293835168 /nfs/dbraw/zinc/83/51/68/293835168.db2.gz CWZZLNHNRGTROK-GHMZBOCLSA-N 1 0 316.214 3.229 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000395253228 293838436 /nfs/dbraw/zinc/83/84/36/293838436.db2.gz ZGTWOLDIDXMSTI-WFASDCNBSA-N 1 0 312.251 3.398 10 0 DGAERO COCCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400334101 293863563 /nfs/dbraw/zinc/86/35/63/293863563.db2.gz FNUPVDIUZNPKPD-HUUCEWRRSA-N 1 0 314.470 3.038 10 0 DGAERO C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400361012 293864169 /nfs/dbraw/zinc/86/41/69/293864169.db2.gz QBIYJXXQHVWNAG-YNEHKIRRSA-N 1 0 314.495 3.116 10 0 DGAERO Cc1ccncc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400349291 293864285 /nfs/dbraw/zinc/86/42/85/293864285.db2.gz JGVYDEXDWMSRIN-LSDHHAIUSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@@H]([NH2+]CCC(C)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400516222 293865070 /nfs/dbraw/zinc/86/50/70/293865070.db2.gz GKESHQRRVKCBAX-NEPJUHHUSA-N 1 0 306.397 3.267 10 0 DGAERO C[C@@H]([NH2+]CCc1ccco1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400793036 293866594 /nfs/dbraw/zinc/86/65/94/293866594.db2.gz SIKRCQATILVLMD-KGLIPLIRSA-N 1 0 308.422 3.057 10 0 DGAERO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(Cc2ccccc2)CC1 ZINC000378053266 434065802 /nfs/dbraw/zinc/06/58/02/434065802.db2.gz WDYOZPRSYYYQMV-QZTJIDSGSA-N 1 0 312.457 3.095 10 0 DGAERO CSc1cc(Br)ccc1C[NH2+]CC[C@@H](C)O ZINC000309915959 434100452 /nfs/dbraw/zinc/10/04/52/434100452.db2.gz PJXXUAUOINOFCA-SECBINFHSA-N 1 0 304.253 3.032 10 0 DGAERO CO[C@H](C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309752574 434097081 /nfs/dbraw/zinc/09/70/81/434097081.db2.gz AEJPJSDYAXRKSD-RBSFLKMASA-N 1 0 314.470 3.037 10 0 DGAERO COc1cccc(C2=CC[N@H+](CCCc3nc(C)no3)CC2)c1 ZINC000357628593 434109892 /nfs/dbraw/zinc/10/98/92/434109892.db2.gz DIESULBTNSKKEU-UHFFFAOYSA-N 1 0 313.401 3.109 10 0 DGAERO CO[C@@H]1CCC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000363671933 434115774 /nfs/dbraw/zinc/11/57/74/434115774.db2.gz IFBPXEKERFHZOC-CQSZACIVSA-N 1 0 300.402 3.160 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000313063745 434120405 /nfs/dbraw/zinc/12/04/05/434120405.db2.gz KREVYWSAMSFIDH-LBPRGKRZSA-N 1 0 302.187 3.103 10 0 DGAERO CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000457358342 434121046 /nfs/dbraw/zinc/12/10/46/434121046.db2.gz BYBJZLKECPULGF-MAVJXHJTSA-N 1 0 300.446 3.411 10 0 DGAERO C[C@@H]1COCCN1CC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000499564749 294087536 /nfs/dbraw/zinc/08/75/36/294087536.db2.gz PNNTYZKUUSFPMI-QGZVFWFLSA-N 1 0 302.462 3.156 10 0 DGAERO C[C@@H](CC[NH+](C)C)NC(=O)NC1(c2ccccc2)CCCCC1 ZINC000506620209 294273525 /nfs/dbraw/zinc/27/35/25/294273525.db2.gz HLJLWPADLPEBAN-INIZCTEOSA-N 1 0 317.477 3.485 10 0 DGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)c2ccc(C)cc2)C1 ZINC000507375443 294296586 /nfs/dbraw/zinc/29/65/86/294296586.db2.gz BSYNLLIVYMMDIO-SJORKVTESA-N 1 0 317.477 3.130 10 0 DGAERO Cc1ccc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)cc1Br ZINC000313745220 434130059 /nfs/dbraw/zinc/13/00/59/434130059.db2.gz BHXNJFXQAKWUDU-SWLSCSKDSA-N 1 0 311.267 3.139 10 0 DGAERO COc1ccc(OC)c(C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000509444782 294352182 /nfs/dbraw/zinc/35/21/82/294352182.db2.gz VEYJAQCUFGATLA-MRXNPFEDSA-N 1 0 313.397 3.187 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](CO)CC1CCCC1 ZINC000510929996 294396814 /nfs/dbraw/zinc/39/68/14/294396814.db2.gz FPIRBRYPDQANHY-DYVFJYSZSA-N 1 0 322.424 3.074 10 0 DGAERO C[C@@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc(F)cc1N(C)C ZINC000511020004 294398876 /nfs/dbraw/zinc/39/88/76/294398876.db2.gz VCUTZVBUIUZJME-CJNGLKHVSA-N 1 0 308.441 3.484 10 0 DGAERO CCCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511020944 294399104 /nfs/dbraw/zinc/39/91/04/294399104.db2.gz ZIILIELGGIVHAK-DLBZAZTESA-N 1 0 318.461 3.225 10 0 DGAERO O=C1[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)CCCN1C1CCCCC1 ZINC000511032532 294399560 /nfs/dbraw/zinc/39/95/60/294399560.db2.gz SSWOGSOKHOTHHG-FGTMMUONSA-N 1 0 304.478 3.478 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCCOc3ccccc31)O2 ZINC000346133793 434135473 /nfs/dbraw/zinc/13/54/73/434135473.db2.gz PSMAFNIEFAJYBR-GOEBONIOSA-N 1 0 311.381 3.330 10 0 DGAERO Cn1c2ccccc2nc1CN1CC[C@@H](O)c2ccccc2C1 ZINC000363774313 434141573 /nfs/dbraw/zinc/14/15/73/434141573.db2.gz DXBBUCPHUFBXAK-GOSISDBHSA-N 1 0 307.397 3.013 10 0 DGAERO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000357782905 434177298 /nfs/dbraw/zinc/17/72/98/434177298.db2.gz RWEWUFSHQXKIIV-UHFFFAOYSA-N 1 0 300.446 3.301 10 0 DGAERO Cc1nnc(C[N@@H+]2CCC[C@]3(C2)CCCCc2ccccc23)n1C ZINC000363948241 434191766 /nfs/dbraw/zinc/19/17/66/434191766.db2.gz JJBOLEYGYJYYIF-FQEVSTJZSA-N 1 0 324.472 3.384 10 0 DGAERO c1nn2ccccc2c1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000363955167 434193847 /nfs/dbraw/zinc/19/38/47/434193847.db2.gz ZIWCOYNTRYSNRZ-FQEVSTJZSA-N 1 0 319.408 3.356 10 0 DGAERO C(=C/c1ccccc1)\CC[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000450471865 434207462 /nfs/dbraw/zinc/20/74/62/434207462.db2.gz WNLHIPGPKYKOIU-RRGNZLCHSA-N 1 0 301.430 3.360 10 0 DGAERO C[C@@H](F)CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000515054772 294536126 /nfs/dbraw/zinc/53/61/26/294536126.db2.gz HSGHHWGMJLAXHX-KOLCDFICSA-N 1 0 310.196 3.071 10 0 DGAERO COC[C@@]1(C)CC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000295190012 434253019 /nfs/dbraw/zinc/25/30/19/434253019.db2.gz XCKWZEHASDTNLQ-INIZCTEOSA-N 1 0 315.360 3.155 10 0 DGAERO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)CC[N@@H+](C2CC2)C1 ZINC000295219186 434265097 /nfs/dbraw/zinc/26/50/97/434265097.db2.gz AISWQMPNCJYYSN-NSHDSACASA-N 1 0 310.800 3.035 10 0 DGAERO Clc1cnccc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000380891723 434267856 /nfs/dbraw/zinc/26/78/56/434267856.db2.gz CZTXOHKRVDPETO-QGZVFWFLSA-N 1 0 315.848 3.489 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)CC2 ZINC000353615105 434270410 /nfs/dbraw/zinc/27/04/10/434270410.db2.gz XXWBMDJFWYGTFM-ZVZYQTTQSA-N 1 0 311.429 3.025 10 0 DGAERO c1ccc2c(c1)OCCC[C@H]2[NH2+]CCCNCc1cccnc1 ZINC000423190861 434274946 /nfs/dbraw/zinc/27/49/46/434274946.db2.gz RVGZZTRVSUXZPE-GOSISDBHSA-N 1 0 311.429 3.065 10 0 DGAERO CC(=O)c1cnc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)s1 ZINC000423218526 434289360 /nfs/dbraw/zinc/28/93/60/434289360.db2.gz URMLMTLMYJCPHO-CYBMUJFWSA-N 1 0 317.414 3.010 10 0 DGAERO CC(C)c1nnc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000450598207 434289682 /nfs/dbraw/zinc/28/96/82/434289682.db2.gz JCKFXEPAHIFSCX-ZFWWWQNUSA-N 1 0 320.506 3.110 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000384247710 434290532 /nfs/dbraw/zinc/29/05/32/434290532.db2.gz KWXIOMLJBIHSQJ-GXFFZTMASA-N 1 0 315.244 3.340 10 0 DGAERO C([N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)C12CCC(CC1)C2 ZINC000450636284 434308263 /nfs/dbraw/zinc/30/82/63/434308263.db2.gz DHOMKLIWXNCUCA-NSWWBONSSA-N 1 0 300.450 3.442 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1F ZINC000386210571 434308418 /nfs/dbraw/zinc/30/84/18/434308418.db2.gz DIEIBADSJOVHHZ-YGRLFVJLSA-N 1 0 316.214 3.181 10 0 DGAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000423274486 434333996 /nfs/dbraw/zinc/33/39/96/434333996.db2.gz MATOSUMRFXJGIM-PBHICJAKSA-N 1 0 324.424 3.219 10 0 DGAERO C[C@H](O)c1cnc(C[NH2+]C2CC(C)(c3ccccc3)C2)s1 ZINC000366041887 434318853 /nfs/dbraw/zinc/31/88/53/434318853.db2.gz MFWMLOJDRNSVFB-MKQDKFQKSA-N 1 0 302.443 3.406 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000324445264 434276992 /nfs/dbraw/zinc/27/69/92/434276992.db2.gz UJURTJCZWNOXFK-ONGXEEELSA-N 1 0 318.280 3.495 10 0 DGAERO C[C@H]1CN(C(=O)c2cccc(Cl)c2F)CC[N@@H+](C2CC2)C1 ZINC000295454230 434371619 /nfs/dbraw/zinc/37/16/19/434371619.db2.gz WTXYZFQUPAPVGH-LLVKDONJSA-N 1 0 310.800 3.035 10 0 DGAERO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(F)cc(F)c1 ZINC000417386494 434377028 /nfs/dbraw/zinc/37/70/28/434377028.db2.gz SWSPEKAVGYRJCB-GFCCVEGCSA-N 1 0 313.388 3.183 10 0 DGAERO Cc1cc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)ccc1Cl ZINC000358194329 434377116 /nfs/dbraw/zinc/37/71/16/434377116.db2.gz RTEJDAKCPBJOPU-UHFFFAOYSA-N 1 0 321.852 3.100 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110494 434338463 /nfs/dbraw/zinc/33/84/63/434338463.db2.gz KHFLDOCTKIMXIS-CVEARBPZSA-N 1 0 322.493 3.151 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NCc1ccsc1Br ZINC000388842507 434339918 /nfs/dbraw/zinc/33/99/18/434339918.db2.gz XBZZDSZFEJICSJ-NSHDSACASA-N 1 0 317.296 3.475 10 0 DGAERO CN(Cc1ccsc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000389010998 434342543 /nfs/dbraw/zinc/34/25/43/434342543.db2.gz NQCILDCORMZIRG-GFCCVEGCSA-N 1 0 315.280 3.037 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000358130488 434345226 /nfs/dbraw/zinc/34/52/26/434345226.db2.gz FIAFTRNDECLCKC-UHFFFAOYSA-N 1 0 307.441 3.490 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000389742785 434354075 /nfs/dbraw/zinc/35/40/75/434354075.db2.gz CLKSPKGISBABPF-QPUJVOFHSA-N 1 0 302.205 3.113 10 0 DGAERO CC[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000397918713 434444367 /nfs/dbraw/zinc/44/43/67/434444367.db2.gz MFPCIMWNIYBGGV-UFYCRDLUSA-N 1 0 316.489 3.446 10 0 DGAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000398015082 434449098 /nfs/dbraw/zinc/44/90/98/434449098.db2.gz FYFQHVJZKTXLBD-ROUUACIJSA-N 1 0 306.494 3.140 10 0 DGAERO C[NH+](C)CC1(NCc2ccsc2Br)CCC1 ZINC000393585901 434395944 /nfs/dbraw/zinc/39/59/44/434395944.db2.gz RSXFQRXRFSYAHX-UHFFFAOYSA-N 1 0 303.269 3.085 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(SC)c1 ZINC000457908003 434396481 /nfs/dbraw/zinc/39/64/81/434396481.db2.gz XPUSOROJZBUIFY-ZDUSSCGKSA-N 1 0 308.447 3.230 10 0 DGAERO c1ccc(-c2cncnc2N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000340865854 434401607 /nfs/dbraw/zinc/40/16/07/434401607.db2.gz UFESKTDLSJNMHK-UHFFFAOYSA-N 1 0 322.456 3.456 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000394905943 434406211 /nfs/dbraw/zinc/40/62/11/434406211.db2.gz JMLYRPGIUUVBGT-WCQYABFASA-N 1 0 316.214 3.229 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000394921570 434406950 /nfs/dbraw/zinc/40/69/50/434406950.db2.gz WYFHIKRMLXTJFV-CMPLNLGQSA-N 1 0 316.214 3.229 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1sccc1Br ZINC000395156904 434415824 /nfs/dbraw/zinc/41/58/24/434415824.db2.gz GMQSHDZGIYNDST-GXSJLCMTSA-N 1 0 304.253 3.103 10 0 DGAERO [NH3+]CC1(CCNc2ncc(Br)cc2Cl)CC1 ZINC000395906554 434421054 /nfs/dbraw/zinc/42/10/54/434421054.db2.gz MAZHSGOOFRMSCR-UHFFFAOYSA-N 1 0 304.619 3.038 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000366493256 434433148 /nfs/dbraw/zinc/43/31/48/434433148.db2.gz VVFNEQNARLADAX-FUHWJXTLSA-N 1 0 316.445 3.057 10 0 DGAERO c1ncn(-c2cccc(C[NH2+]CCCCOc3ccccc3)c2)n1 ZINC000438184160 434434552 /nfs/dbraw/zinc/43/45/52/434434552.db2.gz BSWOWVVADDHZFK-UHFFFAOYSA-N 1 0 322.412 3.216 10 0 DGAERO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000450887704 434463630 /nfs/dbraw/zinc/46/36/30/434463630.db2.gz JIEBSEJLXGRJAR-PAPYEOQZSA-N 1 0 301.352 3.424 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@H]1CN1CCCC[C@@H]1c1ccnn1C ZINC000450900224 434468858 /nfs/dbraw/zinc/46/88/58/434468858.db2.gz GCKJBTSYPQATEL-FUHWJXTLSA-N 1 0 304.482 3.210 10 0 DGAERO Cc1cc[nH]c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000366635859 434472946 /nfs/dbraw/zinc/47/29/46/434472946.db2.gz RHRNQBLZFJJQCJ-XJKSGUPXSA-N 1 0 317.458 3.198 10 0 DGAERO Cc1noc(C)c1C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447736 434487690 /nfs/dbraw/zinc/48/76/90/434487690.db2.gz QAIXDXGJPZINCR-RISCZKNCSA-N 1 0 323.437 3.027 10 0 DGAERO C[C@H]([NH2+]CCOC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400803906 434489032 /nfs/dbraw/zinc/48/90/32/434489032.db2.gz VLDPKHXDUVBICM-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@]1(C[NH2+]CC[C@H]2CCOC2)CCCN1Cc1ccccc1 ZINC000400602642 434491092 /nfs/dbraw/zinc/49/10/92/434491092.db2.gz DPUCHMQHCHZYBN-RBUKOAKNSA-N 1 0 302.462 3.057 10 0 DGAERO C[C@@H](O)CCC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000450933853 434491945 /nfs/dbraw/zinc/49/19/45/434491945.db2.gz CRMBALJKJOXEMX-YGRLFVJLSA-N 1 0 313.239 3.046 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(C)C)C1 ZINC000438494870 434491951 /nfs/dbraw/zinc/49/19/51/434491951.db2.gz XLQQGQPWAOCCAQ-HIFRSBDPSA-N 1 0 302.418 3.194 10 0 DGAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000423648149 434504613 /nfs/dbraw/zinc/50/46/13/434504613.db2.gz RJFBRLDUQCCSNL-KCJUWKMLSA-N 1 0 319.257 3.034 10 0 DGAERO Cc1ccsc1-c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000329660815 434452389 /nfs/dbraw/zinc/45/23/89/434452389.db2.gz IJMOQVMVAXMWLF-IAQYHMDHSA-N 1 0 305.403 3.032 10 0 DGAERO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CCc1ccccn1 ZINC000398111891 434453389 /nfs/dbraw/zinc/45/33/89/434453389.db2.gz DIKLZDCQMNGSSO-HXUWFJFHSA-N 1 0 311.473 3.370 10 0 DGAERO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Cl)sc1Cl ZINC000404159992 434506837 /nfs/dbraw/zinc/50/68/37/434506837.db2.gz AZDBWDRHMPZEJJ-PRHODGIISA-N 1 0 310.246 3.247 10 0 DGAERO CCO[C@@H]1CN([C@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405793480 434525990 /nfs/dbraw/zinc/52/59/90/434525990.db2.gz PKZFMKAEXMRCGM-IXPVHAAZSA-N 1 0 317.260 3.350 10 0 DGAERO Cc1cccnc1CC[NH2+]Cc1cccc(O)c1Br ZINC000404906723 434526750 /nfs/dbraw/zinc/52/67/50/434526750.db2.gz DBEWGMWPYTUPTH-UHFFFAOYSA-N 1 0 321.218 3.190 10 0 DGAERO COC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000360134491 434530309 /nfs/dbraw/zinc/53/03/09/434530309.db2.gz GOLWIBHSWJWSCE-BZSNNMDCSA-N 1 0 324.509 3.020 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451023653 434537150 /nfs/dbraw/zinc/53/71/50/434537150.db2.gz LHMDLDKVJIDIKQ-UHFFFAOYSA-N 1 0 324.424 3.266 10 0 DGAERO CCn1nncc1C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000459310859 434562491 /nfs/dbraw/zinc/56/24/91/434562491.db2.gz RSZYCYPAHIYETR-SFHVURJKSA-N 1 0 314.433 3.424 10 0 DGAERO Cc1ccc(F)c(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000526962893 295065841 /nfs/dbraw/zinc/06/58/41/295065841.db2.gz RULJDZHWVHXVKP-INIZCTEOSA-N 1 0 307.413 3.376 10 0 DGAERO O[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)COc1ccccc1 ZINC000527348654 295093312 /nfs/dbraw/zinc/09/33/12/295093312.db2.gz OTVMDPMRCFPJEY-GBESFXJTSA-N 1 0 311.425 3.352 10 0 DGAERO CCn1nncc1CN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000459373877 434571796 /nfs/dbraw/zinc/57/17/96/434571796.db2.gz KPKLHWKUCYDEJC-GFCCVEGCSA-N 1 0 307.467 3.379 10 0 DGAERO OCCC1([NH2+]Cc2ccsc2Br)CCCC1 ZINC000527708303 295118302 /nfs/dbraw/zinc/11/83/02/295118302.db2.gz SPHLDAXAULOOCP-UHFFFAOYSA-N 1 0 304.253 3.295 10 0 DGAERO c1cnc(Oc2ccc(C[NH2+]CC[C@H]3CCCOC3)cc2)cn1 ZINC000527735859 295122819 /nfs/dbraw/zinc/12/28/19/295122819.db2.gz DJCPJWHISYZMSZ-MRXNPFEDSA-N 1 0 313.401 3.175 10 0 DGAERO c1cnn(-c2cccc(C[NH2+]C[C@@H]3CCN3C3CCCCC3)c2)c1 ZINC000527751550 295125341 /nfs/dbraw/zinc/12/53/41/295125341.db2.gz JGLNVYHQHNQCQC-FQEVSTJZSA-N 1 0 324.472 3.369 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000527800986 295132454 /nfs/dbraw/zinc/13/24/54/295132454.db2.gz GHJZLKBTOAIFIA-UOKLYIGXSA-N 1 0 304.253 3.412 10 0 DGAERO c1c[nH]c([C@@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)c2ccccc2)n1 ZINC000527945498 295155326 /nfs/dbraw/zinc/15/53/26/295155326.db2.gz GOQPTTPEQOUTBW-OALUTQOASA-N 1 0 324.472 3.496 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCOCC1CCCC1)CC2 ZINC000459367100 434569492 /nfs/dbraw/zinc/56/94/92/434569492.db2.gz COTAMYRHXLGZBN-UHFFFAOYSA-N 1 0 315.457 3.497 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000527998668 295162714 /nfs/dbraw/zinc/16/27/14/295162714.db2.gz BTYKYZWWLBTZEM-NZKYLMMGSA-N 1 0 302.462 3.053 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCc2cncn2C)ccc1OC(C)C ZINC000459396570 434577774 /nfs/dbraw/zinc/57/77/74/434577774.db2.gz QGJCCGSCGDGPHG-CQSZACIVSA-N 1 0 317.433 3.109 10 0 DGAERO C[NH+](C)CCCCNC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000439272747 434583113 /nfs/dbraw/zinc/58/31/13/434583113.db2.gz LHOGVXFENYULCN-UHFFFAOYSA-N 1 0 308.853 3.121 10 0 DGAERO COc1cccc([C@H]2[C@H](NC(=O)C(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000245538650 295330686 /nfs/dbraw/zinc/33/06/86/295330686.db2.gz HDCKASDYVGCURP-SJORKVTESA-N 1 0 316.445 3.135 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]CCCn1cccn1)C(C)C ZINC000127146801 295363976 /nfs/dbraw/zinc/36/39/76/295363976.db2.gz IDAAFDPUKNEHSW-QGZVFWFLSA-N 1 0 301.434 3.139 10 0 DGAERO c1ccc([C@@H]2CC[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)O2)cc1 ZINC000459570102 434613680 /nfs/dbraw/zinc/61/36/80/434613680.db2.gz ZVUSWNDTMYRWFH-MSOLQXFVSA-N 1 0 309.413 3.364 10 0 DGAERO COCCC1(C)C[NH+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000459640011 434645058 /nfs/dbraw/zinc/64/50/58/434645058.db2.gz WRGIGZMPZLEAFA-UHFFFAOYSA-N 1 0 305.466 3.326 10 0 DGAERO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000459657776 434650807 /nfs/dbraw/zinc/65/08/07/434650807.db2.gz JDTDOLUTSHFVMI-OAHLLOKOSA-N 1 0 322.412 3.435 10 0 DGAERO CC1CCC(O)(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000360677224 434663628 /nfs/dbraw/zinc/66/36/28/434663628.db2.gz WZLZKVWLZZFPBF-GQOXECLESA-N 1 0 315.457 3.449 10 0 DGAERO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCn3c(C)nc4ccccc43)C[C@H]2C1 ZINC000424252313 434665688 /nfs/dbraw/zinc/66/56/88/434665688.db2.gz DBQXFMLXLUAXIJ-GANOOXTDSA-N 1 0 313.445 3.138 10 0 DGAERO COC(=O)c1ccc(C[NH2+]CC[C@@H](C)F)c(Br)c1 ZINC000354200718 434666035 /nfs/dbraw/zinc/66/60/35/434666035.db2.gz PXJXDZNRQIOGRD-SECBINFHSA-N 1 0 318.186 3.073 10 0 DGAERO c1nc(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c[nH]1 ZINC000371333011 434672458 /nfs/dbraw/zinc/67/24/58/434672458.db2.gz BSKBRCIIUOQCPN-UHFFFAOYSA-N 1 0 307.401 3.179 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)NCc2ccc3ccccc3c2)CC1 ZINC000460220247 434748439 /nfs/dbraw/zinc/74/84/39/434748439.db2.gz GGOYCWDQUSFXSM-UHFFFAOYSA-N 1 0 323.440 3.291 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000460230305 434749435 /nfs/dbraw/zinc/74/94/35/434749435.db2.gz PZNYXRQDGLSNDZ-BRWVUGGUSA-N 1 0 305.466 3.001 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCOCC1CCC1)CC2 ZINC000419220431 434753901 /nfs/dbraw/zinc/75/39/01/434753901.db2.gz BHUOFOZLDPINIQ-UHFFFAOYSA-N 1 0 301.430 3.107 10 0 DGAERO Cc1ccc(NC(=O)C[NH2+]C2(CCO)CCCCC2)cc1Cl ZINC000440908776 434754006 /nfs/dbraw/zinc/75/40/06/434754006.db2.gz ZKUWSOZTQFVGLU-UHFFFAOYSA-N 1 0 324.852 3.262 10 0 DGAERO CC(=Cc1cccc(Cl)c1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000371457121 434706898 /nfs/dbraw/zinc/70/68/98/434706898.db2.gz NQGFJDONHSMMOE-OIOXUXFSSA-N 1 0 315.804 3.140 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1Cl ZINC000247523601 297100063 /nfs/dbraw/zinc/10/00/63/297100063.db2.gz WYGLPPCJKTXOAB-MNOVXSKESA-N 1 0 313.228 3.302 10 0 DGAERO O=C(C[N@@H+]1CCCC12CCC2)N1CCSc2ccccc21 ZINC000444774998 434790244 /nfs/dbraw/zinc/79/02/44/434790244.db2.gz LFKZGTDGMXWSRC-UHFFFAOYSA-N 1 0 302.443 3.144 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000372097422 434797508 /nfs/dbraw/zinc/79/75/08/434797508.db2.gz ZHWIUQMXNAWZNN-ZOCIIQOWSA-N 1 0 303.446 3.421 10 0 DGAERO C[C@@H](Cc1cnccn1)[NH2+]CCc1ccccc1Br ZINC000453097541 434798022 /nfs/dbraw/zinc/79/80/22/434798022.db2.gz WSMWGOVEFJUMDQ-LBPRGKRZSA-N 1 0 320.234 3.002 10 0 DGAERO Cc1nccc(N2CC[NH+]([C@@H](C)c3ccc4c(c3)CCC4)CC2)n1 ZINC000445500946 434807251 /nfs/dbraw/zinc/80/72/51/434807251.db2.gz FAWCWOHLIRVMGQ-HNNXBMFYSA-N 1 0 322.456 3.157 10 0 DGAERO Cc1nccc(N2CC[NH+]([C@H](C)c3ccc4c(c3)CCC4)CC2)n1 ZINC000445500947 434807871 /nfs/dbraw/zinc/80/78/71/434807871.db2.gz FAWCWOHLIRVMGQ-OAHLLOKOSA-N 1 0 322.456 3.157 10 0 DGAERO c1ncc(CC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)s1 ZINC000411700479 434818573 /nfs/dbraw/zinc/81/85/73/434818573.db2.gz ZVPUSTJNWAGAQS-AWEZNQCLSA-N 1 0 316.474 3.098 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CCOCc2ccc(Cl)cc2)c2nccn21 ZINC000453174803 434822442 /nfs/dbraw/zinc/82/24/42/434822442.db2.gz PAXMHSUHSIQBBQ-WFASDCNBSA-N 1 0 305.809 3.349 10 0 DGAERO C[C@H](CCO)CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453224928 434832888 /nfs/dbraw/zinc/83/28/88/434832888.db2.gz CECTWJNKWGFJEL-FZMZJTMJSA-N 1 0 316.367 3.476 10 0 DGAERO CC(=O)CC[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000372517656 434836335 /nfs/dbraw/zinc/83/63/35/434836335.db2.gz VOOYXJJPCDBIEO-UHFFFAOYSA-N 1 0 324.465 3.079 10 0 DGAERO CC(C)(CO)CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453286294 434849272 /nfs/dbraw/zinc/84/92/72/434849272.db2.gz YDLFBLZNZMWLIZ-CYBMUJFWSA-N 1 0 316.367 3.476 10 0 DGAERO c1c(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)nnn1CC1CC1 ZINC000411992577 434852052 /nfs/dbraw/zinc/85/20/52/434852052.db2.gz VKSAIBIVVOVNFJ-IBGZPJMESA-N 1 0 322.456 3.458 10 0 DGAERO C[N@@H+]1CCC[C@H](CNc2ccc(F)cn2)[C@@H]1c1cccs1 ZINC000553078392 434877129 /nfs/dbraw/zinc/87/71/29/434877129.db2.gz HSKWYNKGPRUPTH-MLGOLLRUSA-N 1 0 305.422 3.199 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]C[C@H]3CCCOC3)CC23CC3)cc1 ZINC000573205997 434880617 /nfs/dbraw/zinc/88/06/17/434880617.db2.gz MUWIZEWRAUNQQF-RTBURBONSA-N 1 0 314.473 3.200 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]C[C@H]3CCCOC3)CC23CC3)cc1 ZINC000573205994 434881123 /nfs/dbraw/zinc/88/11/23/434881123.db2.gz MUWIZEWRAUNQQF-MOPGFXCFSA-N 1 0 314.473 3.200 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000523408127 434946907 /nfs/dbraw/zinc/94/69/07/434946907.db2.gz GKIXDIIDZWMXTL-NCOADZHNSA-N 1 0 302.462 3.476 10 0 DGAERO COc1cc(N2CC[NH+](CCc3ccccc3)CC2)ccc1F ZINC000555133927 434962020 /nfs/dbraw/zinc/96/20/20/434962020.db2.gz YCZCSDUGTXFYAM-UHFFFAOYSA-N 1 0 314.404 3.199 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CCOCC1CCC1 ZINC000555233888 434966207 /nfs/dbraw/zinc/96/62/07/434966207.db2.gz RDJYYVIYIJQNIK-UHFFFAOYSA-N 1 0 303.431 3.111 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000464734773 434995060 /nfs/dbraw/zinc/99/50/60/434995060.db2.gz RIXOKIIMFDXAAW-INIZCTEOSA-N 1 0 313.397 3.104 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000557890580 435070753 /nfs/dbraw/zinc/07/07/53/435070753.db2.gz CDXHINLRRAMSAE-ULQDDVLXSA-N 1 0 302.462 3.244 10 0 DGAERO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000465771287 435044151 /nfs/dbraw/zinc/04/41/51/435044151.db2.gz NKPVCBVKFPGDQJ-OWCLPIDISA-N 1 0 321.465 3.493 10 0 DGAERO CC[N@H+](CCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)C(C)C ZINC000465831938 435046657 /nfs/dbraw/zinc/04/66/57/435046657.db2.gz KHGMFBJBVZTSIZ-CVEARBPZSA-N 1 0 321.465 3.493 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CCC(C)(C)C2)CC1 ZINC000474459461 435146931 /nfs/dbraw/zinc/14/69/31/435146931.db2.gz WPTCIUJHOAWBIB-MRXNPFEDSA-N 1 0 309.498 3.329 10 0 DGAERO c1ccc2c(c1)CC[C@@]1(CC[N@@H+](CC[C@@H]3CCCCO3)C1)O2 ZINC000578700852 435102441 /nfs/dbraw/zinc/10/24/41/435102441.db2.gz JQWVKBFQFJAYSR-HKUYNNGSSA-N 1 0 301.430 3.415 10 0 DGAERO c1cc(-c2ccc3c(c2)CCCO3)ccc1CNC1=[NH+]CCCN1 ZINC000559631284 435135227 /nfs/dbraw/zinc/13/52/27/435135227.db2.gz HHOZAHOJDDQPMJ-UHFFFAOYSA-N 1 0 321.424 3.118 10 0 DGAERO c1nc2ccccc2n1-c1ccc(C[NH2+]CCCN2CCC2)cc1 ZINC000579859549 435188542 /nfs/dbraw/zinc/18/85/42/435188542.db2.gz WVBKJNASWXXYSV-UHFFFAOYSA-N 1 0 320.440 3.211 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 ZINC000474661506 435155325 /nfs/dbraw/zinc/15/53/25/435155325.db2.gz YBQRBPWPZZKNPC-KDOFPFPSSA-N 1 0 318.417 3.397 10 0 DGAERO c1nc(-c2ccncc2)sc1CN[C@H]1CCCc2c[nH]nc21 ZINC000561564887 435224773 /nfs/dbraw/zinc/22/47/73/435224773.db2.gz OHYFHTALLMPBLJ-AWEZNQCLSA-N 1 0 311.414 3.095 10 0 DGAERO C(C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1)[C@H]1CCOC1 ZINC000561972053 435244783 /nfs/dbraw/zinc/24/47/83/435244783.db2.gz ZYBFIEGRPRKMSX-DZGCQCFKSA-N 1 0 305.422 3.291 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000534139812 435268896 /nfs/dbraw/zinc/26/88/96/435268896.db2.gz KHNFBJRIVGXFER-UHFFFAOYSA-N 1 0 300.446 3.084 10 0 DGAERO C([C@@H]1CCCCO1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000567301312 435304334 /nfs/dbraw/zinc/30/43/34/435304334.db2.gz WPBDMIGRADJLJN-LSDHHAIUSA-N 1 0 305.422 3.433 10 0 DGAERO CCc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)s1 ZINC000535080187 435317395 /nfs/dbraw/zinc/31/73/95/435317395.db2.gz MTVJAWGZEZVBED-QGZVFWFLSA-N 1 0 314.454 3.374 10 0 DGAERO c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000567502849 435324278 /nfs/dbraw/zinc/32/42/78/435324278.db2.gz KLKWUUNYQHTMHJ-INIZCTEOSA-N 1 0 320.396 3.423 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000535626982 435338945 /nfs/dbraw/zinc/33/89/45/435338945.db2.gz SNOHMZLKVRGSFD-IBGZPJMESA-N 1 0 314.473 3.188 10 0 DGAERO Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000648556053 435342421 /nfs/dbraw/zinc/34/24/21/435342421.db2.gz HDGKKENLDXYCOE-CRAIPNDOSA-N 1 0 324.424 3.368 10 0 DGAERO C[N@H+](Cc1ccc(-c2ccncc2)cc1F)C1CCOCC1 ZINC000535804346 435354747 /nfs/dbraw/zinc/35/47/47/435354747.db2.gz SEJMZEVUEPKAIT-UHFFFAOYSA-N 1 0 300.377 3.499 10 0 DGAERO c1cc(C2CC2)ccc1C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000568196331 435407157 /nfs/dbraw/zinc/40/71/57/435407157.db2.gz YUFGCOVOOZQIBK-UHFFFAOYSA-N 1 0 308.429 3.244 10 0 DGAERO c1cn(-c2csc(CNCc3noc4c3CCCC4)c2)cn1 ZINC000567956837 435376257 /nfs/dbraw/zinc/37/62/57/435376257.db2.gz ABKISJFLBMOCJK-UHFFFAOYSA-N 1 0 314.414 3.090 10 0 DGAERO COc1cc(C)c(C[NH2+]C[C@](C)(O)C2CCCCC2)cc1OC ZINC000480454187 435379411 /nfs/dbraw/zinc/37/94/11/435379411.db2.gz OEUCPXSBCHXJMN-IBGZPJMESA-N 1 0 321.461 3.433 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1CCOC[C@H]1C ZINC000513521723 435391534 /nfs/dbraw/zinc/39/15/34/435391534.db2.gz ZNVUZNROWNEMQY-QKXCFHHRSA-N 1 0 308.853 3.054 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](C)CN1CCOCC1 ZINC000513527934 435392378 /nfs/dbraw/zinc/39/23/78/435392378.db2.gz VXWVAQFDELCEIE-SFKKXYGYSA-N 1 0 322.880 3.301 10 0 DGAERO COc1ccc(OC)c(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1 ZINC000536650455 435398062 /nfs/dbraw/zinc/39/80/62/435398062.db2.gz CKLOXQQZIZOQBI-HNNXBMFYSA-N 1 0 315.413 3.087 10 0 DGAERO CC1(C)CCC[C@@H](C[N@@H+]2CCCN(c3cccnn3)CC2)C1 ZINC000536656690 435398680 /nfs/dbraw/zinc/39/86/80/435398680.db2.gz ZXABPEHEMFCMDE-MRXNPFEDSA-N 1 0 302.466 3.205 10 0 DGAERO C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CCOCC1 ZINC000536649408 435398717 /nfs/dbraw/zinc/39/87/17/435398717.db2.gz LWXDQKYUHBVMPX-UHFFFAOYSA-N 1 0 305.809 3.341 10 0 DGAERO CC(C)[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000514876374 435446992 /nfs/dbraw/zinc/44/69/92/435446992.db2.gz DSSHBORMPBPZFF-MRXNPFEDSA-N 1 0 309.429 3.116 10 0 DGAERO CC(C)n1cc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cn1 ZINC000537724428 435461574 /nfs/dbraw/zinc/46/15/74/435461574.db2.gz BYULWRCTXQOMLX-HNNXBMFYSA-N 1 0 321.465 3.408 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1sccc1-c1ccccc1 ZINC000537214466 435430473 /nfs/dbraw/zinc/43/04/73/435430473.db2.gz FLPIUSYTBXGMPZ-UHFFFAOYSA-N 1 0 302.443 3.439 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CCOCC2CCC2)CN1Cc1ccccc1 ZINC000514834021 435440618 /nfs/dbraw/zinc/44/06/18/435440618.db2.gz WXYWSXANKXZLEH-LPHOPBHVSA-N 1 0 302.462 3.056 10 0 DGAERO c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000483262188 435505663 /nfs/dbraw/zinc/50/56/63/435505663.db2.gz KUFYANHYNXPUJY-IEBWSBKVSA-N 1 0 301.430 3.476 10 0 DGAERO c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000483262186 435505970 /nfs/dbraw/zinc/50/59/70/435505970.db2.gz KUFYANHYNXPUJY-HKUYNNGSSA-N 1 0 301.430 3.476 10 0 DGAERO COC1(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)CCCCC1 ZINC000483280471 435506136 /nfs/dbraw/zinc/50/61/36/435506136.db2.gz LCPMUPYQOPEKDX-UHFFFAOYSA-N 1 0 322.493 3.060 10 0 DGAERO C[N@H+](Cc1cnc(N2CCCC2)nc1)[C@H]1CCc2ccccc2C1 ZINC000538725696 435519009 /nfs/dbraw/zinc/51/90/09/435519009.db2.gz RBYVDYAFCXDHLS-IBGZPJMESA-N 1 0 322.456 3.066 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)c2)cn1 ZINC000516470252 435533174 /nfs/dbraw/zinc/53/31/74/435533174.db2.gz KWCZJEMVPGBBSV-OAHLLOKOSA-N 1 0 310.426 3.318 10 0 DGAERO CCCCc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)NCC)C2)cc1 ZINC000539059152 435534982 /nfs/dbraw/zinc/53/49/82/435534982.db2.gz NZKJIWHCJVQDAF-YJBOKZPZSA-N 1 0 317.477 3.484 10 0 DGAERO c1cncc(-c2cccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)c1 ZINC000569693181 435552935 /nfs/dbraw/zinc/55/29/35/435552935.db2.gz AVLVAQVVLQFTBM-HXUWFJFHSA-N 1 0 307.441 3.324 10 0 DGAERO c1ccc([C@H]2CCCC[C@H]([NH2+]CCN3CCOCC3)C2)cc1 ZINC000517106406 435574792 /nfs/dbraw/zinc/57/47/92/435574792.db2.gz YHLXDAHKXPEDOT-OALUTQOASA-N 1 0 302.462 3.025 10 0 DGAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+][C@@H]1CC12CCCC2 ZINC000570024806 435582814 /nfs/dbraw/zinc/58/28/14/435582814.db2.gz RTEZCFAEZSMMDK-MRXNPFEDSA-N 1 0 311.385 3.228 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000540157340 435590129 /nfs/dbraw/zinc/59/01/29/435590129.db2.gz GHGHUTSDVXQXTE-YOEHRIQHSA-N 1 0 317.477 3.439 10 0 DGAERO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCOC(C)C ZINC000484296823 435542526 /nfs/dbraw/zinc/54/25/26/435542526.db2.gz RJMADEUQFKKSLN-LJQANCHMSA-N 1 0 319.445 3.052 10 0 DGAERO CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000486804586 435615785 /nfs/dbraw/zinc/61/57/85/435615785.db2.gz RPTHXZCBTJDUMZ-HNNXBMFYSA-N 1 0 318.417 3.254 10 0 DGAERO O=C(Cn1ccnc1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000518151175 435627756 /nfs/dbraw/zinc/62/77/56/435627756.db2.gz IMBCTDBIGVNSEU-FQEVSTJZSA-N 1 0 317.392 3.057 10 0 DGAERO COC[C@@H]([NH2+]CCc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000540476806 435603306 /nfs/dbraw/zinc/60/33/06/435603306.db2.gz SHFFEXSTURTINS-GOSISDBHSA-N 1 0 303.377 3.354 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(Cl)cccc1Cl ZINC000176308071 300313738 /nfs/dbraw/zinc/31/37/38/300313738.db2.gz QGMLBBBSAADRRE-WDEREUQCSA-N 1 0 313.228 3.302 10 0 DGAERO CCCC[C@H](C(=O)OC)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059030 435701366 /nfs/dbraw/zinc/70/13/66/435701366.db2.gz QSAXFSPHELAQQM-ZWKOTPCHSA-N 1 0 324.509 3.306 10 0 DGAERO CN1CC[NH+](Cc2ccc(N[C@@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000548884931 435725308 /nfs/dbraw/zinc/72/53/08/435725308.db2.gz HGJHBHXXOJGDRW-VQTJNVASSA-N 1 0 313.489 3.425 10 0 DGAERO CC(C)[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000520447777 435746498 /nfs/dbraw/zinc/74/64/98/435746498.db2.gz CTGSLVKUIMRDGQ-AWEZNQCLSA-N 1 0 318.417 3.112 10 0 DGAERO CO[C@]1(C)CCC[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000520476890 435750794 /nfs/dbraw/zinc/75/07/94/435750794.db2.gz ABMFWBLWOONNTG-GOSISDBHSA-N 1 0 315.417 3.436 10 0 DGAERO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1[C@H](C)C[C@@H]1C ZINC000548754568 435715992 /nfs/dbraw/zinc/71/59/92/435715992.db2.gz ZJBRGPSPCRYUJC-GRYCIOLGSA-N 1 0 314.385 3.445 10 0 DGAERO C[N@H+](CCc1ccc(Br)cc1)C[C@@H](O)C(C)(C)C ZINC000550681413 435810913 /nfs/dbraw/zinc/81/09/13/435810913.db2.gz ZKPQMZCDXQDCAM-CQSZACIVSA-N 1 0 314.267 3.330 10 0 DGAERO c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]CCOCC1CCC1 ZINC000572422462 435824537 /nfs/dbraw/zinc/82/45/37/435824537.db2.gz VSRXCZGEJAOKLN-LJQANCHMSA-N 1 0 319.445 3.151 10 0 DGAERO Brc1cncc(N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656609195 435983029 /nfs/dbraw/zinc/98/30/29/435983029.db2.gz QTQJIBUDEUUZLW-ZDUSSCGKSA-N 1 0 324.266 3.060 10 0 DGAERO Brc1cccnc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656609139 435983636 /nfs/dbraw/zinc/98/36/36/435983636.db2.gz PRFBIPOEXGGRTA-ZDUSSCGKSA-N 1 0 324.266 3.060 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)CC(C)(C)C1 ZINC000657545205 436242454 /nfs/dbraw/zinc/24/24/54/436242454.db2.gz AGALEUBHNQFVRK-ZIAGYGMSSA-N 1 0 301.496 3.006 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)CCCO2 ZINC000154676160 301444228 /nfs/dbraw/zinc/44/42/28/301444228.db2.gz VOYRLRGTOCRESL-SFHVURJKSA-N 1 0 324.424 3.406 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000262322094 301761933 /nfs/dbraw/zinc/76/19/33/301761933.db2.gz CXDPHQGSSVUDSN-VRKREXBASA-N 1 0 304.434 3.276 10 0 DGAERO Cc1ccccc1[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000112218557 302191452 /nfs/dbraw/zinc/19/14/52/302191452.db2.gz PQBWRVFNXLQWHI-NVXWUHKLSA-N 1 0 303.450 3.038 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245978608 302310505 /nfs/dbraw/zinc/31/05/05/302310505.db2.gz XUXTYHWQTPUBEM-APIJFGDWSA-N 1 0 306.475 3.005 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC[C@@H](C)[C@@H]3C[NH3+])c2c1C ZINC000261606556 302881339 /nfs/dbraw/zinc/88/13/39/302881339.db2.gz CYSLBKALPFWLMR-RNCFNFMXSA-N 1 0 304.463 3.180 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000132974037 312655836 /nfs/dbraw/zinc/65/58/36/312655836.db2.gz UJSFZWORFAFMFR-GFCCVEGCSA-N 1 0 312.816 3.344 10 0 DGAERO CCCCN(CC)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170864057 312703891 /nfs/dbraw/zinc/70/38/91/312703891.db2.gz DGPAHRACNYFIFN-SFHVURJKSA-N 1 0 317.477 3.089 10 0 DGAERO CSc1ccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000171271927 312715466 /nfs/dbraw/zinc/71/54/66/312715466.db2.gz YILMYFXPVFJODR-IHRRRGAJSA-N 1 0 306.475 3.286 10 0 DGAERO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C(C)C)c1 ZINC000178578499 312790516 /nfs/dbraw/zinc/79/05/16/312790516.db2.gz VOBYJUMNHTZULM-UONOGXRCSA-N 1 0 322.449 3.303 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000178952116 312794352 /nfs/dbraw/zinc/79/43/52/312794352.db2.gz IMJPCAKOXCURGX-PKOBYXMFSA-N 1 0 322.456 3.421 10 0 DGAERO Cc1cccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1Cl ZINC000179192909 312799887 /nfs/dbraw/zinc/79/98/87/312799887.db2.gz FLIKAJOYHBCJQC-UHFFFAOYSA-N 1 0 308.853 3.499 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000536625329 313772779 /nfs/dbraw/zinc/77/27/79/313772779.db2.gz IAMKEZMHFRYKGR-LLVKDONJSA-N 1 0 312.816 3.388 10 0 DGAERO CC(C)[C@@H](C(=O)N(C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000539416387 313911816 /nfs/dbraw/zinc/91/18/16/313911816.db2.gz OOUMVHODRCQHHP-MRXNPFEDSA-N 1 0 310.869 3.490 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc3c(s2)CCCC3)C1 ZINC000540156097 313949665 /nfs/dbraw/zinc/94/96/65/313949665.db2.gz FWTQDWVPAPJZEG-GXTWGEPZSA-N 1 0 321.490 3.081 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(CC)cc2)C(C)C)C1 ZINC000540316386 313955821 /nfs/dbraw/zinc/95/58/21/313955821.db2.gz UADMCIAQMPHFEP-ZWKOTPCHSA-N 1 0 317.477 3.340 10 0 DGAERO OC[C@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)Cc1ccco1 ZINC000541232760 314002195 /nfs/dbraw/zinc/00/21/95/314002195.db2.gz JCXIWVKNHIMFRA-KTAKPFMOSA-N 1 0 303.377 3.106 10 0 DGAERO C[C@@H](CNC(=O)N(C)C[C@H]1CC=CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000541339065 314010026 /nfs/dbraw/zinc/01/00/26/314010026.db2.gz XGJVQPKQGHDSRT-IKGGRYGDSA-N 1 0 307.482 3.105 10 0 DGAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000541341078 314010044 /nfs/dbraw/zinc/01/00/44/314010044.db2.gz DLHVLLWXHXUIKD-DLBZAZTESA-N 1 0 321.509 3.495 10 0 DGAERO COC(=O)[C@@H](C1CC1)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000541986326 314051672 /nfs/dbraw/zinc/05/16/72/314051672.db2.gz MPCRAYINGVKFCO-QGZVFWFLSA-N 1 0 305.393 3.032 10 0 DGAERO O=C(CC[NH2+]C1CC(c2ccc(F)cc2)C1)Nc1ccccn1 ZINC000542136468 314057390 /nfs/dbraw/zinc/05/73/90/314057390.db2.gz BRHCRHIYOARQHT-UHFFFAOYSA-N 1 0 313.376 3.085 10 0 DGAERO CC(C)n1cc2cc(NC(=O)N(C)CCC[NH+](C)C)ccc2n1 ZINC000542707746 314092987 /nfs/dbraw/zinc/09/29/87/314092987.db2.gz PQWGEHVSKMCGSH-UHFFFAOYSA-N 1 0 317.437 3.033 10 0 DGAERO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)C[C@@H]1CC=CCC1 ZINC000543173566 314117718 /nfs/dbraw/zinc/11/77/18/314117718.db2.gz VEHBFYFMOZLCQN-MRXNPFEDSA-N 1 0 320.864 3.287 10 0 DGAERO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000543811002 314159338 /nfs/dbraw/zinc/15/93/38/314159338.db2.gz MFRJBXYVAKQMRQ-SUMWQHHRSA-N 1 0 305.393 3.347 10 0 DGAERO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000543811000 314159360 /nfs/dbraw/zinc/15/93/60/314159360.db2.gz MFRJBXYVAKQMRQ-DYVFJYSZSA-N 1 0 305.393 3.347 10 0 DGAERO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@H]1CC=CCC1 ZINC000544110675 314173662 /nfs/dbraw/zinc/17/36/62/314173662.db2.gz FIEAOFDFEMRJSO-OKZBNKHCSA-N 1 0 304.478 3.456 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000544440452 314193763 /nfs/dbraw/zinc/19/37/63/314193763.db2.gz LQYXKCLWDSMUQB-HLLBOEOZSA-N 1 0 309.498 3.232 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@H](C)c2cccs2)CC1 ZINC000545153256 314228485 /nfs/dbraw/zinc/22/84/85/314228485.db2.gz LLGQKEYMFIFFJW-CQSZACIVSA-N 1 0 307.463 3.103 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccnn2-c2ccccc2)[nH]n1 ZINC000545275706 314240196 /nfs/dbraw/zinc/24/01/96/314240196.db2.gz ZARCJMYIBVCFOA-UKRRQHHQSA-N 1 0 309.417 3.186 10 0 DGAERO C[NH+](C)CC1(CNC(=O)C/C=C\c2cccc(F)c2)CCCC1 ZINC000545354654 314247277 /nfs/dbraw/zinc/24/72/77/314247277.db2.gz IBPWVRJWPULVAN-VURMDHGXSA-N 1 0 318.436 3.467 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000545946686 314277989 /nfs/dbraw/zinc/27/79/89/314277989.db2.gz PGCUBDTXQCTCDT-UHFFFAOYSA-N 1 0 316.367 3.048 10 0 DGAERO C[NH+](C)CC1(CNC(=O)C/C=C\c2ccc(F)cc2)CCCC1 ZINC000546078211 314289309 /nfs/dbraw/zinc/28/93/09/314289309.db2.gz IZSSWPPFHSZBEK-WAYWQWQTSA-N 1 0 318.436 3.467 10 0 DGAERO Cc1cccc([C@H](C)CNC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000546565072 314310905 /nfs/dbraw/zinc/31/09/05/314310905.db2.gz LFRDJAHPTSXZGR-QGZVFWFLSA-N 1 0 315.461 3.050 10 0 DGAERO Cn1ccc([C@H]([NH2+]C2Cc3ccccc3C2)c2ccc(F)cc2)n1 ZINC000546576164 314311857 /nfs/dbraw/zinc/31/18/57/314311857.db2.gz VEZVPQMXTRPHKL-HXUWFJFHSA-N 1 0 321.399 3.406 10 0 DGAERO Cn1ccc([C@@H]([NH2+]C2Cc3ccccc3C2)c2ccc(F)cc2)n1 ZINC000546576163 314312184 /nfs/dbraw/zinc/31/21/84/314312184.db2.gz VEZVPQMXTRPHKL-FQEVSTJZSA-N 1 0 321.399 3.406 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000547646028 314383168 /nfs/dbraw/zinc/38/31/68/314383168.db2.gz RFDIRKGHGJBSNG-IBGZPJMESA-N 1 0 314.473 3.330 10 0 DGAERO Cc1cc(CC[NH2+][C@@H](C)c2ccc(Br)cn2)on1 ZINC000552099550 314597116 /nfs/dbraw/zinc/59/71/16/314597116.db2.gz MGEQCKMPEKIHKO-JTQLQIEISA-N 1 0 310.195 3.034 10 0 DGAERO C/C(=C/c1ccccc1)CN(C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000555627501 314730870 /nfs/dbraw/zinc/73/08/70/314730870.db2.gz PIULBMHKWGRRNH-ICFOKQHNSA-N 1 0 323.440 3.470 10 0 DGAERO C[C@H](CCC1CCCC1)[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000556919720 314788414 /nfs/dbraw/zinc/78/84/14/314788414.db2.gz BVJKLNJVZKXFGE-HIFRSBDPSA-N 1 0 322.415 3.198 10 0 DGAERO COc1cccc2c1CCC[C@@H]2[NH2+]CCN1CC=C(C)CC1 ZINC000562463397 315021728 /nfs/dbraw/zinc/02/17/28/315021728.db2.gz CVIORNKRLRJCAO-SFHVURJKSA-N 1 0 300.446 3.314 10 0 DGAERO C(=C/c1ccccc1)\CC[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000562700254 315045433 /nfs/dbraw/zinc/04/54/33/315045433.db2.gz PLPWAJGGXBLZKT-XGRQOQASSA-N 1 0 314.473 3.323 10 0 DGAERO C[C@](O)(C[NH2+]Cc1cccc(-n2cccn2)c1)C1CCCCC1 ZINC000564793009 315199827 /nfs/dbraw/zinc/19/98/27/315199827.db2.gz ZSEIIOMKCHWBTM-IBGZPJMESA-N 1 0 313.445 3.293 10 0 DGAERO c1ccc2c(c1)O[C@@H](C[NH2+][C@H]1CCC13CCOCC3)CS2 ZINC000566221945 315323320 /nfs/dbraw/zinc/32/33/20/315323320.db2.gz XGVRETICJACYLN-BBRMVZONSA-N 1 0 305.443 3.089 10 0 DGAERO CC(=O)c1cccc(NC(=O)COc2cc(C)[nH+]c(C)c2C)c1 ZINC000566477046 315351022 /nfs/dbraw/zinc/35/10/22/315351022.db2.gz UHXUZJFCCAJLJG-UHFFFAOYSA-N 1 0 312.369 3.227 10 0 DGAERO COc1cccc(C[C@H]([NH2+]CCc2cc(C)no2)C2CC2)c1 ZINC000571307673 315711998 /nfs/dbraw/zinc/71/19/98/315711998.db2.gz KPMVIUDOYLAEHM-SFHVURJKSA-N 1 0 300.402 3.145 10 0 DGAERO COc1cccc(C[C@H]([NH2+]CCOCC2CCC2)C2CC2)c1 ZINC000576516050 316138107 /nfs/dbraw/zinc/13/81/07/316138107.db2.gz TXXKSAQMYGSVFK-IBGZPJMESA-N 1 0 303.446 3.423 10 0 DGAERO COC1(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)CCCC1 ZINC000577323070 316223805 /nfs/dbraw/zinc/22/38/05/316223805.db2.gz WPXYHPJANRJUEL-OAHLLOKOSA-N 1 0 311.466 3.389 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000179996041 323219207 /nfs/dbraw/zinc/21/92/07/323219207.db2.gz OZQAIGGMHGKEPT-KRWDZBQOSA-N 1 0 315.461 3.193 10 0 DGAERO CC[C@@H]([NH2+]Cc1nnc(C)n1CC)C(C)(C)c1ccccc1 ZINC000180010877 323219661 /nfs/dbraw/zinc/21/96/61/323219661.db2.gz GQXWVJDPKOFCCZ-MRXNPFEDSA-N 1 0 300.450 3.452 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H]1c1ccccc1 ZINC000180114176 323221249 /nfs/dbraw/zinc/22/12/49/323221249.db2.gz BSJRJIASFHJWRQ-UXHICEINSA-N 1 0 320.436 3.351 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cn(C)nc1-c1ccccc1 ZINC000180162136 323222382 /nfs/dbraw/zinc/22/23/82/323222382.db2.gz LREIFFMWAMSCGI-GOSISDBHSA-N 1 0 312.461 3.003 10 0 DGAERO CCc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180181964 323222966 /nfs/dbraw/zinc/22/29/66/323222966.db2.gz RNGVLSMMDJMWIR-RBUKOAKNSA-N 1 0 308.425 3.424 10 0 DGAERO Cc1nn(C)cc1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000180995391 323243421 /nfs/dbraw/zinc/24/34/21/323243421.db2.gz CYNWLYPEQKPSBZ-HNNXBMFYSA-N 1 0 305.809 3.385 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181171873 323248006 /nfs/dbraw/zinc/24/80/06/323248006.db2.gz FTMRUUGZQPZXSA-QWHCGFSZSA-N 1 0 317.408 3.157 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCCc2nc(C(C)C)no2)C12CCC2 ZINC000181666985 323263639 /nfs/dbraw/zinc/26/36/39/323263639.db2.gz MIDOKAMLQYRZKR-KGLIPLIRSA-N 1 0 307.438 3.063 10 0 DGAERO CC1(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CCCCCC1 ZINC000181718608 323266137 /nfs/dbraw/zinc/26/61/37/323266137.db2.gz QZPGJTJTAJUIOP-INIZCTEOSA-N 1 0 305.466 3.003 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2ccc(C)cc2)C[C@H]1CC ZINC000181819272 323271067 /nfs/dbraw/zinc/27/10/67/323271067.db2.gz HCHROHHTEGGIKT-HXUWFJFHSA-N 1 0 318.505 3.360 10 0 DGAERO Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000181928467 323275164 /nfs/dbraw/zinc/27/51/64/323275164.db2.gz WJAWKDSVFOVQMO-HXUWFJFHSA-N 1 0 316.489 3.114 10 0 DGAERO Cc1ccc(CCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000181928492 323275394 /nfs/dbraw/zinc/27/53/94/323275394.db2.gz WJAWKDSVFOVQMO-FQEVSTJZSA-N 1 0 316.489 3.114 10 0 DGAERO Cc1nc(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)sc1C ZINC000182041286 323281414 /nfs/dbraw/zinc/28/14/14/323281414.db2.gz JFICQXCDWQROTG-GFCCVEGCSA-N 1 0 313.430 3.191 10 0 DGAERO C[C@@H](C[NH2+]CCNC(=O)c1ccccc1F)Cc1ccccc1 ZINC000182069645 323282112 /nfs/dbraw/zinc/28/21/12/323282112.db2.gz CZJXRICXCWBMHS-OAHLLOKOSA-N 1 0 314.404 3.024 10 0 DGAERO CCC1(CC)[C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)C[C@@H]1OC ZINC000182054094 323282175 /nfs/dbraw/zinc/28/21/75/323282175.db2.gz ZIMYITCRKXAVKM-RYUDHWBXSA-N 1 0 319.371 3.122 10 0 DGAERO CCC1(CC)[C@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)C[C@@H]1OC ZINC000182054073 323282290 /nfs/dbraw/zinc/28/22/90/323282290.db2.gz ZIMYITCRKXAVKM-NEPJUHHUSA-N 1 0 319.371 3.122 10 0 DGAERO CC[C@H]([NH2+]CC(=O)Nc1ccc(C(C)C)cc1)[C@@H]1CCCO1 ZINC000182278617 323290155 /nfs/dbraw/zinc/29/01/55/323290155.db2.gz REVFTXDVHUULBI-IRXDYDNUSA-N 1 0 304.434 3.296 10 0 DGAERO CCC[C@H](C(=O)N[C@H]1CCCOc2cc(Cl)ccc21)[NH+](C)C ZINC000182452012 323299558 /nfs/dbraw/zinc/29/95/58/323299558.db2.gz YEVWCANVOMDURI-LSDHHAIUSA-N 1 0 324.852 3.400 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)[NH+](C)C ZINC000182451956 323300048 /nfs/dbraw/zinc/30/00/48/323300048.db2.gz YEVWCANVOMDURI-CABCVRRESA-N 1 0 324.852 3.400 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(Cl)cc1Cl ZINC000182713072 323309962 /nfs/dbraw/zinc/30/99/62/323309962.db2.gz KIMXFQNLQPLQEJ-QWHCGFSZSA-N 1 0 314.260 3.447 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000183201743 323329503 /nfs/dbraw/zinc/32/95/03/323329503.db2.gz HVSQULLOLJSQLB-RDJZCZTQSA-N 1 0 305.462 3.466 10 0 DGAERO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000183249748 323331973 /nfs/dbraw/zinc/33/19/73/323331973.db2.gz HGIUTBRVPFSEOC-WMLDXEAASA-N 1 0 311.491 3.353 10 0 DGAERO Clc1cc(CC[NH2+][C@@H]2CCCSC2)cc2c1OCCO2 ZINC000183454816 323338105 /nfs/dbraw/zinc/33/81/05/323338105.db2.gz MHNQAQQSPKARDK-GFCCVEGCSA-N 1 0 313.850 3.139 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000183482192 323339926 /nfs/dbraw/zinc/33/99/26/323339926.db2.gz BNDFLULSVZWWLV-UHFFFAOYSA-N 1 0 301.478 3.384 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)cc1 ZINC000183487088 323340171 /nfs/dbraw/zinc/34/01/71/323340171.db2.gz PDSKUJHVMJLGKV-CYBMUJFWSA-N 1 0 301.434 3.329 10 0 DGAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCCn1ccnn1 ZINC000184264249 323360018 /nfs/dbraw/zinc/36/00/18/323360018.db2.gz OKQGQWJXWPZEMF-HNNXBMFYSA-N 1 0 320.824 3.134 10 0 DGAERO C[C@H]([NH2+]CCCn1ccnn1)c1cc2cc(Cl)ccc2o1 ZINC000184270600 323361052 /nfs/dbraw/zinc/36/10/52/323361052.db2.gz WUFISYTXCQRUHG-NSHDSACASA-N 1 0 304.781 3.419 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(Br)s1 ZINC000185369145 323388472 /nfs/dbraw/zinc/38/84/72/323388472.db2.gz NYGRMJUWLCEAFX-SNVBAGLBSA-N 1 0 306.269 3.349 10 0 DGAERO COC[C@@H](C)CNc1ccc(C[NH+]2CCSCC2)cc1C ZINC000187584348 323416371 /nfs/dbraw/zinc/41/63/71/323416371.db2.gz XYIKCCQRGOQYHW-AWEZNQCLSA-N 1 0 308.491 3.238 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000187648847 323417425 /nfs/dbraw/zinc/41/74/25/323417425.db2.gz ALURRQLHQGLJES-GFCCVEGCSA-N 1 0 305.340 3.138 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(C)cc2)ccc1F ZINC000191594734 323448619 /nfs/dbraw/zinc/44/86/19/323448619.db2.gz SEOZNYKTPVDBRW-PBHICJAKSA-N 1 0 317.404 3.397 10 0 DGAERO COc1cc([C@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)ccc1F ZINC000191613279 323448709 /nfs/dbraw/zinc/44/87/09/323448709.db2.gz HGTZWWWPTKBCDC-WMLDXEAASA-N 1 0 317.404 3.397 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000193350849 323464208 /nfs/dbraw/zinc/46/42/08/323464208.db2.gz IUIGOPAGQOPMOO-QGZVFWFLSA-N 1 0 304.434 3.041 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCC(C)(F)F)C1 ZINC000379247423 323607337 /nfs/dbraw/zinc/60/73/37/323607337.db2.gz BVBXNCBGRYDBQX-GFCCVEGCSA-N 1 0 306.397 3.268 10 0 DGAERO CO[C@@](C)(C[NH2+]Cc1ccsc1Br)C1CC1 ZINC000388888528 323656083 /nfs/dbraw/zinc/65/60/83/323656083.db2.gz MERAJWJWTHYSDY-LBPRGKRZSA-N 1 0 304.253 3.415 10 0 DGAERO [NH3+]CCCCC(=O)NCc1ccccc1OCc1ccccc1 ZINC000390721728 323667346 /nfs/dbraw/zinc/66/73/46/323667346.db2.gz FVFCJMMTELYYCG-UHFFFAOYSA-N 1 0 312.413 3.011 10 0 DGAERO CC(=O)c1cc(NC(=O)NCC2([NH3+])CCCCCC2)ccc1C ZINC000580465570 324002122 /nfs/dbraw/zinc/00/21/22/324002122.db2.gz NMQFJMIOHATEQR-UHFFFAOYSA-N 1 0 317.433 3.371 10 0 DGAERO COc1cc([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)ccn1 ZINC000581200498 324088141 /nfs/dbraw/zinc/08/81/41/324088141.db2.gz QQIBIRDGZJPCOR-CYBMUJFWSA-N 1 0 313.401 3.125 10 0 DGAERO CC(=O)NCC[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000582316949 324215617 /nfs/dbraw/zinc/21/56/17/324215617.db2.gz RPVFYPYUBAUDFN-UHFFFAOYSA-N 1 0 306.793 3.168 10 0 DGAERO C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000583438610 324353969 /nfs/dbraw/zinc/35/39/69/324353969.db2.gz UPYYPHQSRHHNKW-HUUCEWRRSA-N 1 0 305.422 3.118 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)CCN1Cc1ccccc1 ZINC000583726900 324389121 /nfs/dbraw/zinc/38/91/21/324389121.db2.gz IKFYIZBSAJZKMP-PXNSSMCTSA-N 1 0 316.489 3.446 10 0 DGAERO CCOC(C[NH2+][C@H](c1ccc(OC)c(OC)c1)C1CC1)OCC ZINC000584595373 337373963 /nfs/dbraw/zinc/37/39/63/337373963.db2.gz IPLXBMSGWPXOQW-SFHVURJKSA-N 1 0 323.433 3.144 10 0 DGAERO Clc1ccc(Nc2ccc([C@@]34C[NH2+][C@@H](CO3)C4)cc2)nc1 ZINC000584628605 337376264 /nfs/dbraw/zinc/37/62/64/337376264.db2.gz OCKNSZXCSFMCPG-GDBMZVCRSA-N 1 0 301.777 3.066 10 0 DGAERO CC[NH+](CC)CCCCC(O)(c1ccncc1)c1ccncc1 ZINC000584636855 337379407 /nfs/dbraw/zinc/37/94/07/337379407.db2.gz HZOVNFKSRAMXHV-UHFFFAOYSA-N 1 0 313.445 3.225 10 0 DGAERO Brc1ccc(C[NH2+]CCOc2ccccc2)cn1 ZINC000167636671 1176589812 /nfs/dbraw/zinc/58/98/12/1176589812.db2.gz YMRRHDLYOITLBW-UHFFFAOYSA-N 1 0 307.191 3.013 10 0 DGAERO CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2N)C[C@H]1C ZINC000388623281 1178074834 /nfs/dbraw/zinc/07/48/34/1178074834.db2.gz UAXIIRPGIABUKY-SNVBAGLBSA-N 1 0 302.249 3.102 10 0 DGAERO COc1cccc([C@H]2[C@H](Nc3nccc(C)n3)CC[N@@H+]2C2CC2)c1 ZINC000302054309 533804802 /nfs/dbraw/zinc/80/48/02/533804802.db2.gz POPBEQZSAQCBCM-MSOLQXFVSA-N 1 0 324.428 3.184 10 0 DGAERO COc1cc(C[NH2+]CCCc2nc(C(C)C)no2)ccc1C ZINC000194285584 533874835 /nfs/dbraw/zinc/87/48/35/533874835.db2.gz WVVLPOKXXMNSGO-UHFFFAOYSA-N 1 0 303.406 3.232 10 0 DGAERO COc1ccc(NC(=O)C[NH2+][C@H](C)C2CCCC2)cc1Cl ZINC000184669477 534081343 /nfs/dbraw/zinc/08/13/43/534081343.db2.gz DRHIZWSLUVOYIM-LLVKDONJSA-N 1 0 310.825 3.455 10 0 DGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC23CCC3)C1 ZINC000435612320 534132990 /nfs/dbraw/zinc/13/29/90/534132990.db2.gz FOGHRQTZFZHOIH-WBVHZDCISA-N 1 0 313.445 3.160 10 0 DGAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000328624552 534318624 /nfs/dbraw/zinc/31/86/24/534318624.db2.gz CMWHTTLXLPUDLO-BBZRVKOSSA-N 1 0 317.477 3.302 10 0 DGAERO O[C@H](CC1CCCC1)C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000323301036 534423689 /nfs/dbraw/zinc/42/36/89/534423689.db2.gz BVPHXTHWNQKFEG-HXUWFJFHSA-N 1 0 316.489 3.136 10 0 DGAERO Cc1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3cccc(C)c3)CC2)n1 ZINC000173683927 534439660 /nfs/dbraw/zinc/43/96/60/534439660.db2.gz QMRXXVRPXXMMNL-LSDHHAIUSA-N 1 0 314.433 3.126 10 0 DGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157926005 520212840 /nfs/dbraw/zinc/21/28/40/520212840.db2.gz YUCRNHSUGALLAI-DZGCQCFKSA-N 1 0 322.497 3.292 10 0 DGAERO c1nc2ccccn2c1C[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328629788 534538852 /nfs/dbraw/zinc/53/88/52/534538852.db2.gz PEAAPFYWWBCZMJ-VQIMIIECSA-N 1 0 307.397 3.202 10 0 DGAERO CCc1csc([C@H]2CCC[N@H+](Cc3c(C)nn(C)c3C)C2)n1 ZINC000157050193 522116158 /nfs/dbraw/zinc/11/61/58/522116158.db2.gz NCSINGQPONBKDN-AWEZNQCLSA-N 1 0 318.490 3.435 10 0 DGAERO [NH3+]CCC[C@H](Nc1ncncc1Br)c1ccccc1 ZINC000312080756 534622227 /nfs/dbraw/zinc/62/22/27/534622227.db2.gz SWZATMSBTNDSAT-ZDUSSCGKSA-N 1 0 321.222 3.131 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccs1 ZINC000089732125 522924292 /nfs/dbraw/zinc/92/42/92/522924292.db2.gz IWQMXEGDTGGERG-ZIAGYGMSSA-N 1 0 302.447 3.248 10 0 DGAERO CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccccc2F)n1 ZINC000070456229 523822059 /nfs/dbraw/zinc/82/20/59/523822059.db2.gz ULJFJJPSOITVOG-CYBMUJFWSA-N 1 0 314.408 3.257 10 0 DGAERO Cc1cccc(-c2cccc(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)c2)c1 ZINC000237814023 524110749 /nfs/dbraw/zinc/11/07/49/524110749.db2.gz HNWSPEICOBIHBW-OALUTQOASA-N 1 0 308.425 3.406 10 0 DGAERO C[C@@H](CC(=O)N(C)Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000156057663 524342562 /nfs/dbraw/zinc/34/25/62/524342562.db2.gz IIFAANUENMMHDU-ZFWWWQNUSA-N 1 0 308.853 3.324 10 0 DGAERO Cc1ccc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])cc1Br ZINC000157036610 524443631 /nfs/dbraw/zinc/44/36/31/524443631.db2.gz FKWVMGCKWLCKIV-IUODEOHRSA-N 1 0 311.267 3.459 10 0 DGAERO Cc1ccc(CN2CCC[C@H](C)[C@@H]2C[NH3+])cc1Br ZINC000157089482 524449942 /nfs/dbraw/zinc/44/99/42/524449942.db2.gz FRNGSRZWNFUJIR-WFASDCNBSA-N 1 0 311.267 3.317 10 0 DGAERO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCO1 ZINC000328648981 534815694 /nfs/dbraw/zinc/81/56/94/534815694.db2.gz UVIPGKOXCNNBEM-HPFXQQBRSA-N 1 0 303.450 3.199 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C1CCCC1 ZINC000157251989 525448964 /nfs/dbraw/zinc/44/89/64/525448964.db2.gz BZDAUNMQBQJIKJ-OAGGEKHMSA-N 1 0 317.477 3.364 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(OC(F)(F)F)c1 ZINC000154644905 525480625 /nfs/dbraw/zinc/48/06/25/525480625.db2.gz ZJAPTRUPPHCHEC-YPMHNXCESA-N 1 0 302.340 3.330 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccco3)C2)c1 ZINC000157549123 526158501 /nfs/dbraw/zinc/15/85/01/526158501.db2.gz LTYMIGOXZULLIU-GJZGRUSLSA-N 1 0 300.402 3.465 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)CCCO2 ZINC000158216471 526190383 /nfs/dbraw/zinc/19/03/83/526190383.db2.gz QLKPSKMJPNYOCU-WMZOPIPTSA-N 1 0 319.445 3.242 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N(C)C)CCCO2 ZINC000154766497 526192343 /nfs/dbraw/zinc/19/23/43/526192343.db2.gz RTIINPMMIKMZJT-KRWDZBQOSA-N 1 0 311.429 3.460 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](CCC(=O)OC(C)(C)C)C2)n1 ZINC000157797788 526419687 /nfs/dbraw/zinc/41/96/87/526419687.db2.gz YDRNVWQQDLQYNP-CYBMUJFWSA-N 1 0 310.463 3.363 10 0 DGAERO Brc1cccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054584 526645631 /nfs/dbraw/zinc/64/56/31/526645631.db2.gz QABOXMFKDUUDGE-HOCLYGCPSA-N 1 0 323.278 3.413 10 0 DGAERO O=C(NCc1ccc(F)c(Cl)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000156754431 526668608 /nfs/dbraw/zinc/66/86/08/526668608.db2.gz PEGTZKHHPFWAFX-UHFFFAOYSA-N 1 0 304.752 3.012 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000432493461 527119467 /nfs/dbraw/zinc/11/94/67/527119467.db2.gz BMFDFMNCVYJLTC-INIZCTEOSA-N 1 0 324.509 3.495 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000415446608 527308945 /nfs/dbraw/zinc/30/89/45/527308945.db2.gz KERKOVIFQSPPRT-AWEZNQCLSA-N 1 0 323.824 3.052 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000415457554 527309333 /nfs/dbraw/zinc/30/93/33/527309333.db2.gz UZNVXVMLWYRUHO-CYBMUJFWSA-N 1 0 311.813 3.038 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441206635 527402818 /nfs/dbraw/zinc/40/28/18/527402818.db2.gz XGZXDTFECQOSHO-IRXDYDNUSA-N 1 0 317.429 3.017 10 0 DGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1Br ZINC000157565942 527544693 /nfs/dbraw/zinc/54/46/93/527544693.db2.gz VWLMQCUYLHGYLB-LBPRGKRZSA-N 1 0 316.214 3.325 10 0 DGAERO CCC1(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)CCC1 ZINC000175771691 527781967 /nfs/dbraw/zinc/78/19/67/527781967.db2.gz KUJOKXNYXKCYGB-UHFFFAOYSA-N 1 0 309.498 3.376 10 0 DGAERO CCC1([NH2+]Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000294736350 527800701 /nfs/dbraw/zinc/80/07/01/527800701.db2.gz GSOOHPWJPUWJAS-UHFFFAOYSA-N 1 0 300.196 3.196 10 0 DGAERO CC1(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCC1 ZINC000176649894 527960152 /nfs/dbraw/zinc/96/01/52/527960152.db2.gz JNMMBAOENPKJIU-UHFFFAOYSA-N 1 0 315.461 3.272 10 0 DGAERO CCO[C@H](C)c1nc(CN(C)C[C@@H]2CCC[N@@H+]2CC)cs1 ZINC000175334710 528011072 /nfs/dbraw/zinc/01/10/72/528011072.db2.gz JVJMCSQBYYXZRE-HIFRSBDPSA-N 1 0 311.495 3.157 10 0 DGAERO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCCC23CCC3)c1 ZINC000444787252 528224144 /nfs/dbraw/zinc/22/41/44/528224144.db2.gz QPOWRKSSVCDTDB-UHFFFAOYSA-N 1 0 316.445 3.109 10 0 DGAERO CCOc1cc(C[NH2+][C@H](C)COCc2ccccc2)ccc1O ZINC000297365023 528282945 /nfs/dbraw/zinc/28/29/45/528282945.db2.gz GCMRIDGVUUZORI-OAHLLOKOSA-N 1 0 315.413 3.486 10 0 DGAERO CCOC(C)(C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000159183788 528429778 /nfs/dbraw/zinc/42/97/78/528429778.db2.gz VSLAXIGIMAXPPM-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO CCOc1ccc(NC(=O)CC[N@@H+]2CCCC23CCC3)cc1 ZINC000444773872 528501456 /nfs/dbraw/zinc/50/14/56/528501456.db2.gz GQIULUWXGIGDFZ-UHFFFAOYSA-N 1 0 302.418 3.432 10 0 DGAERO CCCOc1cccc(CNC(=O)C[N@@H+]2CCCC23CCC3)c1 ZINC000444789475 528753287 /nfs/dbraw/zinc/75/32/87/528753287.db2.gz DYVZTODCAFXEPN-UHFFFAOYSA-N 1 0 316.445 3.110 10 0 DGAERO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000172586455 528785265 /nfs/dbraw/zinc/78/52/65/528785265.db2.gz ATVGHHYWXBYALG-STQMWFEESA-N 1 0 308.388 3.295 10 0 DGAERO CCOCc1ccc(CNC(=O)C[NH2+][C@H](C)C2CCCC2)cc1 ZINC000184653247 529036111 /nfs/dbraw/zinc/03/61/11/529036111.db2.gz DGCYUYSHCAECFO-OAHLLOKOSA-N 1 0 318.461 3.008 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000176510903 529192567 /nfs/dbraw/zinc/19/25/67/529192567.db2.gz IWSFNNJURMSNTN-YQQAZPJKSA-N 1 0 316.445 3.173 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)CCCC(=O)C(C)(C)C)CC1 ZINC000449947869 535447041 /nfs/dbraw/zinc/44/70/41/535447041.db2.gz JUAKOCHOJBVALH-UHFFFAOYSA-N 1 0 310.482 3.010 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cc3cccnc3s2)CC1 ZINC000449949346 535450976 /nfs/dbraw/zinc/45/09/76/535450976.db2.gz OHHJIIXCWRBZGZ-UHFFFAOYSA-N 1 0 317.458 3.148 10 0 DGAERO CC[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cccs1 ZINC000449086365 535921126 /nfs/dbraw/zinc/92/11/26/535921126.db2.gz RCVDUPZBIJMUAM-AWEZNQCLSA-N 1 0 309.456 3.393 10 0 DGAERO CCn1nncc1C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000459393834 535928521 /nfs/dbraw/zinc/92/85/21/535928521.db2.gz FXJPEYTYXXPHLW-XFBWCDHKSA-N 1 0 304.825 3.438 10 0 DGAERO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC3(C2)CCCCC3)C1 ZINC000459266373 536383410 /nfs/dbraw/zinc/38/34/10/536383410.db2.gz PQGCWWDLTGJGAE-MRXNPFEDSA-N 1 0 307.482 3.084 10 0 DGAERO COc1ccc(C[C@H](C)C[NH2+]CCN2CC=C(C)CC2)cc1F ZINC000470326035 536522094 /nfs/dbraw/zinc/52/20/94/536522094.db2.gz CQCAPQCESJYBKL-INIZCTEOSA-N 1 0 320.452 3.255 10 0 DGAERO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCc2cccc(OC)n2)cc1 ZINC000474802634 536905816 /nfs/dbraw/zinc/90/58/16/536905816.db2.gz RXRRMOVCWFWOAO-HUUCEWRRSA-N 1 0 314.429 3.423 10 0 DGAERO Fc1ccc(Br)c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000038097288 545674679 /nfs/dbraw/zinc/67/46/79/545674679.db2.gz AHGZVCLVDVWVAO-GFCCVEGCSA-N 1 0 302.187 3.247 10 0 DGAERO CC(C)c1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccco1 ZINC000046342983 545680671 /nfs/dbraw/zinc/68/06/71/545680671.db2.gz MYICNZREBLEMPL-OAHLLOKOSA-N 1 0 303.402 3.275 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000073046504 545711497 /nfs/dbraw/zinc/71/14/97/545711497.db2.gz HWLOBPNCOLRXBA-INIZCTEOSA-N 1 0 303.450 3.231 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000073328064 545714108 /nfs/dbraw/zinc/71/41/08/545714108.db2.gz VTSTVPUERRPJBN-APWZRJJASA-N 1 0 308.425 3.213 10 0 DGAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000079515152 545758091 /nfs/dbraw/zinc/75/80/91/545758091.db2.gz JMZWVSVTFIQWCE-HZMBPMFUSA-N 1 0 300.324 3.025 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)s1 ZINC000087617583 545805683 /nfs/dbraw/zinc/80/56/83/545805683.db2.gz JXWGYPOEXUCQEA-GXFFZTMASA-N 1 0 320.845 3.466 10 0 DGAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1Br ZINC000089449077 545814803 /nfs/dbraw/zinc/81/48/03/545814803.db2.gz MNOPGGLKIRZSNQ-CMPLNLGQSA-N 1 0 311.223 3.071 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000089454608 545815116 /nfs/dbraw/zinc/81/51/16/545815116.db2.gz HUDUNLAQKQUSOL-MNOVXSKESA-N 1 0 303.793 3.202 10 0 DGAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089456465 545815219 /nfs/dbraw/zinc/81/52/19/545815219.db2.gz BMEWECIVIIMSBJ-HOCLYGCPSA-N 1 0 308.853 3.452 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]CC1(OC)CCOCC1)C(C)C ZINC000090650447 545830412 /nfs/dbraw/zinc/83/04/12/545830412.db2.gz LCGPJFNXASFEOW-QGZVFWFLSA-N 1 0 321.461 3.048 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)s1 ZINC000090880078 545831204 /nfs/dbraw/zinc/83/12/04/545831204.db2.gz NICCRBUZARPASH-VXGBXAGGSA-N 1 0 313.430 3.444 10 0 DGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)C1CCC([NH3+])CC1 ZINC000091479980 545836551 /nfs/dbraw/zinc/83/65/51/545836551.db2.gz KPGMWTUVUGLUAK-UHFFFAOYSA-N 1 0 300.324 3.470 10 0 DGAERO CC(C)(C)n1cc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cn1 ZINC000121474887 545895445 /nfs/dbraw/zinc/89/54/45/545895445.db2.gz ORYZAPQVPJPGAU-QGZVFWFLSA-N 1 0 316.493 3.112 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCc1ccccn1 ZINC000123795201 545908297 /nfs/dbraw/zinc/90/82/97/545908297.db2.gz OWDDXGYMLAVCPF-AWEZNQCLSA-N 1 0 308.385 3.367 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)cc1F ZINC000126616862 545922706 /nfs/dbraw/zinc/92/27/06/545922706.db2.gz AXLXIWXSEILCOO-GJZGRUSLSA-N 1 0 306.425 3.432 10 0 DGAERO Cc1cc(F)c(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1F ZINC000130403024 545949355 /nfs/dbraw/zinc/94/93/55/545949355.db2.gz ZVCAEJUSFNANSA-UHFFFAOYSA-N 1 0 310.388 3.123 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cc3ccccc3s2)C1 ZINC000131689239 545960086 /nfs/dbraw/zinc/96/00/86/545960086.db2.gz ZTZFJLMYAXENBF-DZGCQCFKSA-N 1 0 304.459 3.273 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000133621304 545969097 /nfs/dbraw/zinc/96/90/97/545969097.db2.gz WYDAMWJBERTAMM-AEFFLSMTSA-N 1 0 316.489 3.447 10 0 DGAERO Cc1nc(-c2cccc(NC(=O)C[C@H]([NH3+])C(C)C)c2)cs1 ZINC000136344104 545981585 /nfs/dbraw/zinc/98/15/85/545981585.db2.gz XOFBYSPEFNRDAU-AWEZNQCLSA-N 1 0 303.431 3.430 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000136433540 545981744 /nfs/dbraw/zinc/98/17/44/545981744.db2.gz JTIQRJQCOSJMJS-ZDUSSCGKSA-N 1 0 302.340 3.037 10 0 DGAERO CN1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137076727 545982594 /nfs/dbraw/zinc/98/25/94/545982594.db2.gz HGYKRTUILRAZFJ-LLVKDONJSA-N 1 0 317.658 3.286 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137111788 545984026 /nfs/dbraw/zinc/98/40/26/545984026.db2.gz HQEJAADNPDPLAS-WDEREUQCSA-N 1 0 318.642 3.496 10 0 DGAERO c1c(-c2ccccc2)nnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000141929910 545986464 /nfs/dbraw/zinc/98/64/64/545986464.db2.gz LIYDVWVZTHTTQC-SFHVURJKSA-N 1 0 304.397 3.392 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000174012806 546105064 /nfs/dbraw/zinc/10/50/64/546105064.db2.gz CYCGGGPWMVBFKV-LJQANCHMSA-N 1 0 308.425 3.215 10 0 DGAERO CCC1(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CCC1 ZINC000176032697 546115150 /nfs/dbraw/zinc/11/51/50/546115150.db2.gz HYGLHFJLRYUHAQ-HNNXBMFYSA-N 1 0 319.449 3.357 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(SC)cc1 ZINC000176281520 546116008 /nfs/dbraw/zinc/11/60/08/546116008.db2.gz YNFTYQPLKRKOFU-AWEZNQCLSA-N 1 0 307.463 3.357 10 0 DGAERO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000177437238 546121624 /nfs/dbraw/zinc/12/16/24/546121624.db2.gz NGJQUBSBAHFVIB-MNOVXSKESA-N 1 0 300.805 3.385 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1)N1CCOCC1 ZINC000181438487 546156887 /nfs/dbraw/zinc/15/68/87/546156887.db2.gz SUZYHLCXTLQCFZ-OLZOCXBDSA-N 1 0 322.836 3.458 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc2ccccc2c1 ZINC000181504068 546158537 /nfs/dbraw/zinc/15/85/37/546158537.db2.gz GVEGDJULDGIDFR-UONOGXRCSA-N 1 0 305.443 3.171 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCc1cccs1)c1ccc(Cl)s1 ZINC000183017216 546170765 /nfs/dbraw/zinc/17/07/65/546170765.db2.gz DLYMLZPJLNRJSW-VIFPVBQESA-N 1 0 314.863 3.430 10 0 DGAERO FC(F)(F)CN1CCC[N@H+](Cc2cccc3cnccc32)CC1 ZINC000183035632 546170851 /nfs/dbraw/zinc/17/08/51/546170851.db2.gz GCOSYHVQWULIML-UHFFFAOYSA-N 1 0 323.362 3.305 10 0 DGAERO C[C@@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@H]1CCCO1 ZINC000183167177 546173303 /nfs/dbraw/zinc/17/33/03/546173303.db2.gz GXESYAWBNUDYOT-BXUZGUMPSA-N 1 0 303.324 3.285 10 0 DGAERO C[C@@H]([NH2+]Cc1csc(Cc2ccccc2)n1)[C@H]1CCCO1 ZINC000183173713 546173307 /nfs/dbraw/zinc/17/33/07/546173307.db2.gz VAWJWKXDPIARHU-CZUORRHYSA-N 1 0 302.443 3.391 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](CCC(N)=O)C1 ZINC000185293404 546187859 /nfs/dbraw/zinc/18/78/59/546187859.db2.gz AGWNJEORLUTSIA-OAHLLOKOSA-N 1 0 311.429 3.334 10 0 DGAERO CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)s1 ZINC000188409979 546205333 /nfs/dbraw/zinc/20/53/33/546205333.db2.gz ZQPHXBVBPFMMKH-ZDUSSCGKSA-N 1 0 304.463 3.302 10 0 DGAERO CCC[C@H](C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190642248 546218989 /nfs/dbraw/zinc/21/89/89/546218989.db2.gz RXSKMBGVISUCKZ-FUHWJXTLSA-N 1 0 317.477 3.188 10 0 DGAERO COc1cccc(C[NH2+]CCCc2nc(C(C)C)no2)c1F ZINC000192678380 546235609 /nfs/dbraw/zinc/23/56/09/546235609.db2.gz KDINZQNUVMSUNC-UHFFFAOYSA-N 1 0 307.369 3.063 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000235677209 546278221 /nfs/dbraw/zinc/27/82/21/546278221.db2.gz XKOOBUGBYSAGMF-QWRGUYRKSA-N 1 0 315.244 3.340 10 0 DGAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000236544320 546279209 /nfs/dbraw/zinc/27/92/09/546279209.db2.gz LUOLFOWQBGWJNS-QWRGUYRKSA-N 1 0 318.642 3.496 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1F ZINC000245928185 546300846 /nfs/dbraw/zinc/30/08/46/546300846.db2.gz ZIKHNUWTSSSVHJ-NFAWXSAZSA-N 1 0 306.425 3.289 10 0 DGAERO Brc1ccccc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250084974 546328180 /nfs/dbraw/zinc/32/81/80/546328180.db2.gz NXSHHFUTMAZNLR-GOEBONIOSA-N 1 0 323.278 3.413 10 0 DGAERO CC(C)(C)c1nc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000252415493 546330760 /nfs/dbraw/zinc/33/07/60/546330760.db2.gz KZKUWHBZYVWBFI-DZGCQCFKSA-N 1 0 307.507 3.405 10 0 DGAERO COc1ccccc1/C=C\CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255491200 546335942 /nfs/dbraw/zinc/33/59/42/546335942.db2.gz VBFPZOUVRNHQTN-QLBOMPFWSA-N 1 0 300.446 3.126 10 0 DGAERO COc1ccccc1/C=C\C[NH+]1CCC(Cn2cccn2)CC1 ZINC000255369402 546336051 /nfs/dbraw/zinc/33/60/51/546336051.db2.gz UAWXEKWQKXYEIH-DAXSKMNVSA-N 1 0 311.429 3.317 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000255498304 546336067 /nfs/dbraw/zinc/33/60/67/546336067.db2.gz XJIQQRVFBONEQC-QFJXVRIMSA-N 1 0 312.457 3.341 10 0 DGAERO Cc1ccc([C@H]2CCCN2C(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1C ZINC000261808099 546338415 /nfs/dbraw/zinc/33/84/15/546338415.db2.gz ROLWQYMCNPXZLQ-CGTJXYLNSA-N 1 0 300.446 3.484 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000261795323 546338491 /nfs/dbraw/zinc/33/84/91/546338491.db2.gz QMVOUMDVEGWDBM-CXAGYDPISA-N 1 0 311.385 3.187 10 0 DGAERO C[C@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)[C@H]1C[NH3+] ZINC000261975719 546339292 /nfs/dbraw/zinc/33/92/92/546339292.db2.gz QQJZCYUGAUNZIG-LRDDRELGSA-N 1 0 303.381 3.040 10 0 DGAERO CCCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000261843439 546339451 /nfs/dbraw/zinc/33/94/51/546339451.db2.gz VCSGXZMQRUOFNO-GUDVDZBRSA-N 1 0 314.473 3.158 10 0 DGAERO C[C@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)[C@H]1CO ZINC000299973654 546434995 /nfs/dbraw/zinc/43/49/95/546434995.db2.gz PDZDQKBCVQLZAG-GWCFXTLKSA-N 1 0 304.217 3.075 10 0 DGAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1ccc(F)cc1Cl ZINC000305154618 546443420 /nfs/dbraw/zinc/44/34/20/546443420.db2.gz VGZNUKYFPQYPDN-SNVBAGLBSA-N 1 0 303.830 3.388 10 0 DGAERO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CSC1 ZINC000309582755 546451211 /nfs/dbraw/zinc/45/12/11/546451211.db2.gz QVURBPKVGMPUCB-QMMMGPOBSA-N 1 0 304.228 3.224 10 0 DGAERO Cc1cc(C(C)C)nc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000309872157 546451709 /nfs/dbraw/zinc/45/17/09/546451709.db2.gz GXHNXOBEFYCWHY-UHFFFAOYSA-N 1 0 310.445 3.231 10 0 DGAERO C[C@H]1CCCC[C@@H]1OCc1noc(CC2CC[NH+](C)CC2)n1 ZINC000329762273 546491671 /nfs/dbraw/zinc/49/16/71/546491671.db2.gz SLZQKOXDSYDQRP-ZFWWWQNUSA-N 1 0 307.438 3.049 10 0 DGAERO O=C(C[NH2+]CC1CC1)Nc1ccccc1OCc1ccccc1 ZINC000380972407 546737684 /nfs/dbraw/zinc/73/76/84/546737684.db2.gz BDDAGWMJGAQHFY-UHFFFAOYSA-N 1 0 310.397 3.204 10 0 DGAERO COc1cccc(C[NH2+][C@@H](C)CN(C)Cc2ccccc2)c1F ZINC000381043374 546737916 /nfs/dbraw/zinc/73/79/16/546737916.db2.gz FFELOPCTXXVINR-HNNXBMFYSA-N 1 0 316.420 3.444 10 0 DGAERO CC[C@H](C)[C@H](C[NH2+][C@H]1CCOC2(CCSCC2)C1)OC ZINC000381159225 546738917 /nfs/dbraw/zinc/73/89/17/546738917.db2.gz NJBQJRCHNVLCQD-KKUMJFAQSA-N 1 0 301.496 3.082 10 0 DGAERO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CCOCc1ccccc1 ZINC000390777979 546755491 /nfs/dbraw/zinc/75/54/91/546755491.db2.gz OTCRVOMJILFPCJ-GUDVDZBRSA-N 1 0 303.446 3.219 10 0 DGAERO [NH3+]CC1(CCNC(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000395826606 546761384 /nfs/dbraw/zinc/76/13/84/546761384.db2.gz WAGOWPLMXQHIRL-UHFFFAOYSA-N 1 0 324.424 3.124 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000395261940 546761424 /nfs/dbraw/zinc/76/14/24/546761424.db2.gz RGURFYRCZVJVNN-JOYOIKCWSA-N 1 0 322.206 3.355 10 0 DGAERO Clc1ccc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c(Cl)c1 ZINC000404620904 546767389 /nfs/dbraw/zinc/76/73/89/546767389.db2.gz NVRLJNQOQMKQPF-SNVBAGLBSA-N 1 0 311.216 3.100 10 0 DGAERO O=C(C[NH2+][C@H](Cc1ccccc1)C1CCCCC1)NCC(F)F ZINC000482085111 546911471 /nfs/dbraw/zinc/91/14/71/546911471.db2.gz WFJALEYYQAHPCX-MRXNPFEDSA-N 1 0 324.415 3.149 10 0 DGAERO c1nc(C2CC2)c(C[NH2+]CCc2cnc(C3CC3)nc2)s1 ZINC000487555423 546918916 /nfs/dbraw/zinc/91/89/16/546918916.db2.gz GNWLRPNFARBCQP-UHFFFAOYSA-N 1 0 300.431 3.020 10 0 DGAERO c1ccc(C[C@H]([NH2+]C[C@@H]2COCCO2)C2CCCCC2)cc1 ZINC000532448321 546980230 /nfs/dbraw/zinc/98/02/30/546980230.db2.gz DRPYSTXYEKGYLH-MOPGFXCFSA-N 1 0 303.446 3.183 10 0 DGAERO CCC1([NH+]2CCSCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000685961028 549810885 /nfs/dbraw/zinc/81/08/85/549810885.db2.gz MYBYTXZAEFKODX-UHFFFAOYSA-N 1 0 314.495 3.215 10 0 DGAERO COc1ccc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1 ZINC000675054460 563861929 /nfs/dbraw/zinc/86/19/29/563861929.db2.gz NQGMQUYOEZBJMW-ZFWWWQNUSA-N 1 0 306.406 3.095 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]2(C1)[NH2+]CCc1ccoc12 ZINC000724110090 563496426 /nfs/dbraw/zinc/49/64/26/563496426.db2.gz JNOGVZXADNHJQZ-UGSOOPFHSA-N 1 0 320.433 3.336 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@@]2(C1)[NH2+]CCc1ccoc12 ZINC000724101373 563496569 /nfs/dbraw/zinc/49/65/69/563496569.db2.gz PQDXFTILJZNLPK-GUYCJALGSA-N 1 0 306.406 3.088 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000731451777 574549842 /nfs/dbraw/zinc/54/98/42/574549842.db2.gz GTDVLNXTGSZUMJ-HKBKRHGFSA-N 1 0 310.445 3.409 10 0 DGAERO O=C1[C@@H]([NH2+]Cc2cnc3ccccc3c2)CCN1c1ccccc1 ZINC000731678751 574556846 /nfs/dbraw/zinc/55/68/46/574556846.db2.gz KRQMRFLNMHJYAY-IBGZPJMESA-N 1 0 317.392 3.130 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c(F)c1 ZINC000675054156 563861680 /nfs/dbraw/zinc/86/16/80/563861680.db2.gz MFRUMPVIIXJDMT-DOMZBBRYSA-N 1 0 308.397 3.452 10 0 DGAERO C/C(=C/C(=O)NCCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC000732052256 574565606 /nfs/dbraw/zinc/56/56/06/574565606.db2.gz HBFMWPNYQUZVEK-SQFISAMPSA-N 1 0 304.409 3.221 10 0 DGAERO C/C(=C/C(=O)NCC[N@@H+](C)C1CCCC1)c1cccc(F)c1 ZINC000732074764 574566004 /nfs/dbraw/zinc/56/60/04/574566004.db2.gz UJMQVOFWCHJMIT-OWBHPGMISA-N 1 0 304.409 3.220 10 0 DGAERO O=C(NC(C1CCCC1)C1CCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000735581637 574706700 /nfs/dbraw/zinc/70/67/00/574706700.db2.gz QNPPQRLUBLCFNT-INIZCTEOSA-N 1 0 319.493 3.271 10 0 DGAERO CC(=O)c1ccc(NC(=S)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000741493324 574959686 /nfs/dbraw/zinc/95/96/86/574959686.db2.gz SFHVIWUMIQEQHP-MLGOLLRUSA-N 1 0 319.474 3.001 10 0 DGAERO c1nn(-c2ccccc2)nc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000741791009 574971663 /nfs/dbraw/zinc/97/16/63/574971663.db2.gz PPZOFDZXKPDOCE-SFHVURJKSA-N 1 0 318.424 3.332 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)/C=C(/C)c2ccc(F)cc2)CC1 ZINC000742098263 574981089 /nfs/dbraw/zinc/98/10/89/574981089.db2.gz HWIUQFDCNFVLSQ-PFONDFGASA-N 1 0 318.436 3.467 10 0 DGAERO CCc1ccc([C@H]2C[C@H](C)CCN2C(=S)NCC[NH+](C)C)o1 ZINC000743040460 575032646 /nfs/dbraw/zinc/03/26/46/575032646.db2.gz YDGKEAWCNFSFQQ-UKRRQHHQSA-N 1 0 323.506 3.051 10 0 DGAERO O=c1[nH]cnc2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)nc21 ZINC000585091912 575271459 /nfs/dbraw/zinc/27/14/59/575271459.db2.gz FYDHXOGTJKNSAA-UHFFFAOYSA-N 1 0 320.396 3.383 10 0 DGAERO Cc1cc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)ccc1Br ZINC000169960462 575288261 /nfs/dbraw/zinc/28/82/61/575288261.db2.gz MXVVWIPNGHBHJT-NSHDSACASA-N 1 0 311.223 3.038 10 0 DGAERO c1cc(-c2cccnc2)n(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC000725772333 575910752 /nfs/dbraw/zinc/91/07/52/575910752.db2.gz GBROEGMWYQNRJU-SFYZZRBRSA-N 1 0 308.429 3.413 10 0 DGAERO c1cnc(N2CCC[C@@H]([NH2+]CCCC3CCCCC3)C2)nc1 ZINC000395153397 575948690 /nfs/dbraw/zinc/94/86/90/575948690.db2.gz PEWLNJHWLQTHOH-QGZVFWFLSA-N 1 0 302.466 3.396 10 0 DGAERO CC(C)CNC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728444712 576183061 /nfs/dbraw/zinc/18/30/61/576183061.db2.gz CNHREHWTJMSHBL-MRXNPFEDSA-N 1 0 311.539 3.105 10 0 DGAERO CC[C@H](C)OCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000154278730 620655948 /nfs/dbraw/zinc/65/59/48/620655948.db2.gz IMGHZGUHYIDGFN-WMZOPIPTSA-N 1 0 319.445 3.257 10 0 DGAERO Cc1ccccc1OCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151106432 620423422 /nfs/dbraw/zinc/42/34/22/620423422.db2.gz OORVVVRTLGZPMU-QGZVFWFLSA-N 1 0 311.429 3.203 10 0 DGAERO CC[C@H](C)OCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000153336682 620551614 /nfs/dbraw/zinc/55/16/14/620551614.db2.gz QFJFNINOIPRFFA-INIZCTEOSA-N 1 0 319.445 3.257 10 0 DGAERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000383516944 621201135 /nfs/dbraw/zinc/20/11/35/621201135.db2.gz HQDZYXJYZSUIKV-HSALFYBXSA-N 1 0 320.436 3.327 10 0 DGAERO O=C(CC[C@@H]1CCCCO1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117094071 621351709 /nfs/dbraw/zinc/35/17/09/621351709.db2.gz RJCBEBPGMXXHEV-ZWKOTPCHSA-N 1 0 317.429 3.153 10 0 DGAERO CCS(=O)(=O)CC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000118393812 621525798 /nfs/dbraw/zinc/52/57/98/621525798.db2.gz YDVYNGOGADPDTP-UHFFFAOYSA-N 1 0 309.475 3.256 10 0 DGAERO CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@](C)(O)c1ccccc1 ZINC000119300292 621643121 /nfs/dbraw/zinc/64/31/21/621643121.db2.gz GIRFPKQEXGBBIB-PMACEKPBSA-N 1 0 313.441 3.258 10 0 DGAERO C[C@H](CSC(C)(C)C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000119770036 621725507 /nfs/dbraw/zinc/72/55/07/621725507.db2.gz SYIQVXMFYLJYMB-GFCCVEGCSA-N 1 0 304.500 3.411 10 0 DGAERO C[C@@H]1CC[C@@H](C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000123231862 622488699 /nfs/dbraw/zinc/48/86/99/622488699.db2.gz JTMWILIVOPSUTL-QAPCUYQASA-N 1 0 317.429 3.009 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)/C=C\c1cccc(F)c1)c1ccccc1 ZINC000208863236 622583153 /nfs/dbraw/zinc/58/31/53/622583153.db2.gz SFFVAHQWHMEAEO-JYBLJSLWSA-N 1 0 312.388 3.258 10 0 DGAERO CC(=O)Oc1ccc(C[N@H+](C)CCOc2ccc(C)cc2)cc1 ZINC000125549956 623482128 /nfs/dbraw/zinc/48/21/28/623482128.db2.gz ZVJDFHYYGOKOHJ-UHFFFAOYSA-N 1 0 313.397 3.431 10 0 DGAERO Cc1nc(C)c(C(=O)OCCC[N@@H+](C)Cc2ccccc2)s1 ZINC000129528891 625673616 /nfs/dbraw/zinc/67/36/16/625673616.db2.gz GHDFNALXXYTYKO-UHFFFAOYSA-N 1 0 318.442 3.439 10 0 DGAERO Cc1cc(C)n(CCC[NH2+]Cc2nc(C(C)(C)C)cs2)n1 ZINC000126476818 623852908 /nfs/dbraw/zinc/85/29/08/623852908.db2.gz CFFQZMAHSWOFTD-UHFFFAOYSA-N 1 0 306.479 3.434 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cc(Cl)ccc1Cl ZINC000126744995 624064597 /nfs/dbraw/zinc/06/45/97/624064597.db2.gz VKQCDYZXPHNGHY-ONGXEEELSA-N 1 0 322.257 3.221 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cc1Cl ZINC000126809235 624112706 /nfs/dbraw/zinc/11/27/06/624112706.db2.gz CALYSLHQHAHVEW-ONGXEEELSA-N 1 0 322.257 3.221 10 0 DGAERO Cc1ccn(-c2ccccc2CNC(=[NH2+])Nc2ccccc2)n1 ZINC000128688525 625125522 /nfs/dbraw/zinc/12/55/22/625125522.db2.gz QMRRKOOBBPKLEX-UHFFFAOYSA-N 1 0 305.385 3.317 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C(F)(F)c2ccccc2)CC1 ZINC000130284473 625834761 /nfs/dbraw/zinc/83/47/61/625834761.db2.gz FWXNBOGRXGFSLB-UHFFFAOYSA-N 1 0 310.388 3.015 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccccc1OC ZINC000130506879 625863834 /nfs/dbraw/zinc/86/38/34/625863834.db2.gz DNDGPLFKXKPRPC-XJKSGUPXSA-N 1 0 301.386 3.088 10 0 DGAERO CCCn1cc(C[N@H+](CC)C[C@H](O)c2ccc(C)cc2)cn1 ZINC000130527235 625866904 /nfs/dbraw/zinc/86/69/04/625866904.db2.gz YKTAIOQHWAOOBZ-SFHVURJKSA-N 1 0 301.434 3.157 10 0 DGAERO CCCn1cc(C[N@H+](CC)C[C@@H](O)c2ccc(C)cc2)cn1 ZINC000130527432 625866994 /nfs/dbraw/zinc/86/69/94/625866994.db2.gz YKTAIOQHWAOOBZ-GOSISDBHSA-N 1 0 301.434 3.157 10 0 DGAERO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)nc2ccccc12 ZINC000130950057 625921955 /nfs/dbraw/zinc/92/19/55/625921955.db2.gz DJAWWKNXWCMGQU-UONOGXRCSA-N 1 0 317.820 3.022 10 0 DGAERO C([NH2+][C@H]1CCCSC1)C1(N2CCSCC2)CCCCC1 ZINC000131464602 626640311 /nfs/dbraw/zinc/64/03/11/626640311.db2.gz GVTHVGLCJKTCDE-HNNXBMFYSA-N 1 0 314.564 3.223 10 0 DGAERO C[C@H]1C[N@H+](CC2(O)CCCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000131470691 626640777 /nfs/dbraw/zinc/64/07/77/626640777.db2.gz WBIBOAAHRYXMKV-WMLDXEAASA-N 1 0 307.409 3.283 10 0 DGAERO [NH3+]Cc1cccc(-c2cnc(C(F)(F)Br)nc2)c1 ZINC000757570353 626654911 /nfs/dbraw/zinc/65/49/11/626654911.db2.gz CEUPCYVUXZVEMW-UHFFFAOYSA-N 1 0 314.133 3.047 10 0 DGAERO CCCCCC(C)(C)CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000132620400 626730506 /nfs/dbraw/zinc/73/05/06/626730506.db2.gz ZCMOUWSUUJDEHO-MRXNPFEDSA-N 1 0 307.482 3.249 10 0 DGAERO S=C1OCCN1C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000132797221 626741621 /nfs/dbraw/zinc/74/16/21/626741621.db2.gz KLKGJTIPDIXQRN-UHFFFAOYSA-N 1 0 310.850 3.274 10 0 DGAERO Cc1cc(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])ccc1Cl ZINC000757144099 626751722 /nfs/dbraw/zinc/75/17/22/626751722.db2.gz HTSLSZZERWKWIO-HIFRSBDPSA-N 1 0 324.852 3.385 10 0 DGAERO CCN(CC)c1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000757185685 626753961 /nfs/dbraw/zinc/75/39/61/626753961.db2.gz YXLNFSIXAZVJEA-SJORKVTESA-N 1 0 318.461 3.178 10 0 DGAERO CSCCCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000133602926 626828017 /nfs/dbraw/zinc/82/80/17/626828017.db2.gz VGEFZIZMYGYHJR-ZDUSSCGKSA-N 1 0 308.447 3.437 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)nc1 ZINC000134366305 626874680 /nfs/dbraw/zinc/87/46/80/626874680.db2.gz VSSPSYUIERFBOQ-ZBFHGGJFSA-N 1 0 319.449 3.173 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2cnn(C)c2)oc1C ZINC000886080546 627099949 /nfs/dbraw/zinc/09/99/49/627099949.db2.gz YGFQOCAEJDHRMW-DHSIGJKJSA-N 1 0 317.433 3.448 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000300980701 627285912 /nfs/dbraw/zinc/28/59/12/627285912.db2.gz KKZAFHKJRFCPCZ-IHRRRGAJSA-N 1 0 314.470 3.178 10 0 DGAERO C[C@H](CC[S@@](C)=O)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722144677 658270182 /nfs/dbraw/zinc/27/01/82/658270182.db2.gz CFGQYNFTQWGSLW-MLCYQJTMSA-N 1 0 308.274 3.283 10 0 DGAERO Cc1ncc(CN2CC[C@]3(C2)CCC[N@H+](CC(C)(C)C)C3)n1C ZINC000011935531 660487673 /nfs/dbraw/zinc/48/76/73/660487673.db2.gz LTTXMKMACATRTN-IBGZPJMESA-N 1 0 318.509 3.063 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cncs1 ZINC000700753511 660633102 /nfs/dbraw/zinc/63/31/02/660633102.db2.gz MOJOMUCWOCMXHF-GRYCIOLGSA-N 1 0 311.451 3.192 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000700784549 660634838 /nfs/dbraw/zinc/63/48/38/660634838.db2.gz RDPBCBHTKPXMJA-UKRRQHHQSA-N 1 0 323.412 3.004 10 0 DGAERO Fc1c(Br)ccc(C[NH2+]CC2CSC2)c1F ZINC000700992504 660647867 /nfs/dbraw/zinc/64/78/67/660647867.db2.gz HLXVBQCTTOBEPV-UHFFFAOYSA-N 1 0 308.191 3.180 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000701995698 660696328 /nfs/dbraw/zinc/69/63/28/660696328.db2.gz YTLAGEUXEKIWQI-XDQVBPFNSA-N 1 0 314.495 3.163 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000702395891 660722043 /nfs/dbraw/zinc/72/20/43/660722043.db2.gz YTGRMPBWBNTDCB-FRRDWIJNSA-N 1 0 305.365 3.222 10 0 DGAERO Cc1cc(NCC2(CCOCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000702939722 660748885 /nfs/dbraw/zinc/74/88/85/660748885.db2.gz HSHVRUVMFGOOHF-UHFFFAOYSA-N 1 0 312.417 3.166 10 0 DGAERO CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000704059380 660801457 /nfs/dbraw/zinc/80/14/57/660801457.db2.gz NHIRFZWKKJMDLW-QRJUGERDSA-N 1 0 308.466 3.410 10 0 DGAERO Brc1ccoc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000703943332 660795619 /nfs/dbraw/zinc/79/56/19/660795619.db2.gz PWKSGEHQCGLIOJ-ZDUSSCGKSA-N 1 0 322.202 3.273 10 0 DGAERO Cc1c[nH]c(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCCCC2)n1 ZINC000705596341 660837293 /nfs/dbraw/zinc/83/72/93/660837293.db2.gz PQGYNIOGRJDINL-UHFFFAOYSA-N 1 0 322.453 3.035 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2cccnc2)CCCCC1 ZINC000705539533 660837844 /nfs/dbraw/zinc/83/78/44/660837844.db2.gz VSKJPQKFJZJXPJ-UHFFFAOYSA-N 1 0 319.449 3.399 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000704990048 660830105 /nfs/dbraw/zinc/83/01/05/660830105.db2.gz WMXSPCBXCKRRHY-VGWMRTNUSA-N 1 0 308.466 3.316 10 0 DGAERO CC(C)(C)C(=O)CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000705960335 660843903 /nfs/dbraw/zinc/84/39/03/660843903.db2.gz VLJMCUDRLXFKPR-HDICACEKSA-N 1 0 314.473 3.056 10 0 DGAERO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000706471774 660859958 /nfs/dbraw/zinc/85/99/58/660859958.db2.gz HIWGOGFXPVXJBO-FUDCBSFHSA-N 1 0 314.495 3.258 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000706480570 660861550 /nfs/dbraw/zinc/86/15/50/660861550.db2.gz WJAHGQYQVIKJBX-LOWDOPEQSA-N 1 0 314.495 3.162 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000706560470 660865873 /nfs/dbraw/zinc/86/58/73/660865873.db2.gz PPKXELIESAJDJW-MGPQQGTHSA-N 1 0 314.495 3.260 10 0 DGAERO CSC1CC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)C1 ZINC000706931841 660881829 /nfs/dbraw/zinc/88/18/29/660881829.db2.gz USHNFKPGJJUVKL-RYSNWHEDSA-N 1 0 314.495 3.116 10 0 DGAERO C[C@H](F)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709317252 660928036 /nfs/dbraw/zinc/92/80/36/660928036.db2.gz MTBKISKXWKVULD-FQUUOJAGSA-N 1 0 300.418 3.112 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000709405426 660928079 /nfs/dbraw/zinc/92/80/79/660928079.db2.gz LBRHPJZUNIPCON-SJJUBHFPSA-N 1 0 308.466 3.409 10 0 DGAERO Brc1cscc1C[NH2+]CCc1ccns1 ZINC000709790971 660930511 /nfs/dbraw/zinc/93/05/11/660930511.db2.gz OIKRQYPBWFZRDX-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO Cc1c(F)ncnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000710155278 660931992 /nfs/dbraw/zinc/93/19/92/660931992.db2.gz UJPPBJBYYVLFPH-UHFFFAOYSA-N 1 0 300.381 3.001 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CC(C)(C)C(C)(F)F)C1 ZINC000710869458 660935745 /nfs/dbraw/zinc/93/57/45/660935745.db2.gz ZZFPSZRINNSCNR-UHFFFAOYSA-N 1 0 306.397 3.124 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000711454197 660954027 /nfs/dbraw/zinc/95/40/27/660954027.db2.gz AYBZZFMXOWOKEZ-UVHVRRJVSA-N 1 0 308.466 3.316 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@H]2CCCSC2)C1 ZINC000711400623 660949899 /nfs/dbraw/zinc/94/98/99/660949899.db2.gz MTHZTSJYMBWVAM-HSBZDZAISA-N 1 0 314.495 3.023 10 0 DGAERO Cc1ccccc1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711405216 660950514 /nfs/dbraw/zinc/95/05/14/660950514.db2.gz OJYDFGMUCCHWCO-FZNQNYSPSA-N 1 0 304.434 3.388 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCc2ccsc2)C1 ZINC000711440296 660953083 /nfs/dbraw/zinc/95/30/83/660953083.db2.gz SDSRKOBMNMVPGB-UHFFFAOYSA-N 1 0 310.463 3.184 10 0 DGAERO CCOC(=O)c1ncc(C[NH2+]Cc2csc(C)c2C)s1 ZINC000711466047 660953733 /nfs/dbraw/zinc/95/37/33/660953733.db2.gz VNRXXKYQPAKIDC-UHFFFAOYSA-N 1 0 310.444 3.288 10 0 DGAERO c1cn(C2CC2)c(CNC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000711773499 660962824 /nfs/dbraw/zinc/96/28/24/660962824.db2.gz SSUULNVMFJPGQU-IBGZPJMESA-N 1 0 324.472 3.362 10 0 DGAERO Brc1ccc(CNCc2nccn2C2CC2)cc1 ZINC000711784763 660963312 /nfs/dbraw/zinc/96/33/12/660963312.db2.gz CYUSCIDMCMOHPJ-UHFFFAOYSA-N 1 0 306.207 3.270 10 0 DGAERO Brc1ccoc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711832641 660963798 /nfs/dbraw/zinc/96/37/98/660963798.db2.gz KJEQZZJWONULLG-RISCZKNCSA-N 1 0 314.223 3.337 10 0 DGAERO C[C@H](C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)CC(F)(F)F ZINC000711484790 660955040 /nfs/dbraw/zinc/95/50/40/660955040.db2.gz MVYQUFMBXJJMIR-UNXYVOJBSA-N 1 0 324.387 3.468 10 0 DGAERO CC[C@@H](CSC)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711493605 660955084 /nfs/dbraw/zinc/95/50/84/660955084.db2.gz WBUVAWVBTWBTPO-CPCZMJQVSA-N 1 0 302.484 3.021 10 0 DGAERO CC[C@H](CSC)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711493608 660955199 /nfs/dbraw/zinc/95/51/99/660955199.db2.gz WBUVAWVBTWBTPO-OTTFEQOBSA-N 1 0 302.484 3.021 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000711485372 660955290 /nfs/dbraw/zinc/95/52/90/660955290.db2.gz LJQNUMBGWDHTSP-UPJWGTAASA-N 1 0 318.408 3.315 10 0 DGAERO CSCC[C@H](C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711492645 660955577 /nfs/dbraw/zinc/95/55/77/660955577.db2.gz RZCMLKOYFLSREH-HIFPTAJRSA-N 1 0 302.484 3.021 10 0 DGAERO Cc1cscc1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711505786 660956080 /nfs/dbraw/zinc/95/60/80/660956080.db2.gz OZAYWCWNQKJBBI-XBXGTLAGSA-N 1 0 310.463 3.449 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3ccncc3)CCC[C@H]12 ZINC000711619543 660959922 /nfs/dbraw/zinc/95/99/22/660959922.db2.gz CACJJPMETOAVDN-MAUKXSAKSA-N 1 0 317.433 3.103 10 0 DGAERO Cc1ccc([C@H]([NH2+]CCCN2CCOC2=O)C2CCC2)cc1 ZINC000187153154 660960155 /nfs/dbraw/zinc/96/01/55/660960155.db2.gz LYJNIILHVWDREE-QGZVFWFLSA-N 1 0 302.418 3.268 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000722592488 655525314 /nfs/dbraw/zinc/52/53/14/655525314.db2.gz WANGUDGEEIWGTC-ZYHUDNBSSA-N 1 0 315.244 3.197 10 0 DGAERO Cc1cc2oc(=O)cc(C[N@H+](C)C[C@@H]3CCCO3)c2cc1C ZINC000187835867 655529385 /nfs/dbraw/zinc/52/93/85/655529385.db2.gz RXTKQGRUJCXLNH-HNNXBMFYSA-N 1 0 301.386 3.021 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000255026794 655563997 /nfs/dbraw/zinc/56/39/97/655563997.db2.gz WQZBZESTUORQIO-MJSCBBHESA-N 1 0 318.436 3.323 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/SCc1ccco1 ZINC000160376354 655626305 /nfs/dbraw/zinc/62/63/05/655626305.db2.gz ZIYHXJZSDYWBQA-JOZWUWCOSA-N 1 0 322.474 3.263 10 0 DGAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000049948803 655626998 /nfs/dbraw/zinc/62/69/98/655626998.db2.gz OKJYMCJKVBTOMT-KGLIPLIRSA-N 1 0 311.809 3.158 10 0 DGAERO C[NH+](C)C1CCN(C(=O)/C=C\c2cnc(C(C)(C)C)s2)CC1 ZINC000255265247 655675064 /nfs/dbraw/zinc/67/50/64/655675064.db2.gz WAQVFCSLNBEVLF-SREVYHEPSA-N 1 0 321.490 3.006 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000255274726 655676893 /nfs/dbraw/zinc/67/68/93/655676893.db2.gz VSFHLEDMFPXITK-VBKFSLOCSA-N 1 0 304.397 3.460 10 0 DGAERO CN1C[C@H](CC[NH2+]Cc2cc(Cl)sc2Cl)CC1=O ZINC000723594767 655703662 /nfs/dbraw/zinc/70/36/62/655703662.db2.gz POQBOKHOFCQXKU-MRVPVSSYSA-N 1 0 307.246 3.013 10 0 DGAERO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](O)c1cc(F)ccc1F ZINC000051314420 655726770 /nfs/dbraw/zinc/72/67/70/655726770.db2.gz HELXAPYYXDYHNI-INIZCTEOSA-N 1 0 313.294 3.408 10 0 DGAERO CC(C)(C[NH2+]C1CCC2(CCCC2)CC1)CS(C)(=O)=O ZINC000723879232 655728015 /nfs/dbraw/zinc/72/80/15/655728015.db2.gz MKNVLWPSAAFNDU-UHFFFAOYSA-N 1 0 301.496 3.150 10 0 DGAERO C[C@@H](Cc1ccsc1)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724058299 655739577 /nfs/dbraw/zinc/73/95/77/655739577.db2.gz MKCYWGZKHNPGMJ-WPRPVWTQSA-N 1 0 317.323 3.217 10 0 DGAERO C[C@](O)(C[N@@H+]1CCC[C@@H](CCF)C1)C(F)(F)C(F)(F)F ZINC000724096718 655741530 /nfs/dbraw/zinc/74/15/30/655741530.db2.gz NKOPNUIFHKCWES-UWVGGRQHSA-N 1 0 307.278 3.007 10 0 DGAERO CC(C)(C)OCC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724094589 655741537 /nfs/dbraw/zinc/74/15/37/655741537.db2.gz ZZBXDILVFCOBIV-KBPBESRZSA-N 1 0 314.470 3.085 10 0 DGAERO C[C@](O)(C[NH2+]C[C@H]1CCCC12CC2)C(F)(F)C(F)(F)F ZINC000724112577 655743035 /nfs/dbraw/zinc/74/30/35/655743035.db2.gz YRAXHJIJDGSNFN-ZJUUUORDSA-N 1 0 301.299 3.105 10 0 DGAERO CCSCC[C@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724112796 655743037 /nfs/dbraw/zinc/74/30/37/655743037.db2.gz ZOXYTRBRSKYDMQ-IUCAKERBSA-N 1 0 309.344 3.056 10 0 DGAERO C/C(=C/c1ccccc1Cl)C(=O)N1CCC([NH+](C)C)CC1 ZINC000255493957 655768072 /nfs/dbraw/zinc/76/80/72/655768072.db2.gz DOSFLRPCRSUHSO-SEYXRHQNSA-N 1 0 306.837 3.296 10 0 DGAERO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2Br)C[C@@H](C)C1 ZINC000712475666 661188622 /nfs/dbraw/zinc/18/86/22/661188622.db2.gz HPPWCFMRDOOZNY-IAZYJMLFSA-N 1 0 300.244 3.097 10 0 DGAERO CCC[C@H]([NH2+]Cc1cn(C)nc1Br)C1CCC1 ZINC000712481292 661188909 /nfs/dbraw/zinc/18/89/09/661188909.db2.gz AFFHEXMULODSHJ-LBPRGKRZSA-N 1 0 300.244 3.241 10 0 DGAERO Cn1cc(C[NH2+]CC(C)(C)C(C)(C)C)c(Br)n1 ZINC000712491314 661189102 /nfs/dbraw/zinc/18/91/02/661189102.db2.gz ZEMGOYBITAXKOV-UHFFFAOYSA-N 1 0 302.260 3.345 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712662097 661189517 /nfs/dbraw/zinc/18/95/17/661189517.db2.gz XALPWDPIZQDCFY-OJLVUWQFSA-N 1 0 308.466 3.316 10 0 DGAERO CCN1CC[C@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000712608289 661189530 /nfs/dbraw/zinc/18/95/30/661189530.db2.gz RYGBYRGYUYSZDE-ONGXEEELSA-N 1 0 315.280 3.182 10 0 DGAERO Brc1ccsc1CC[NH2+]Cc1ccns1 ZINC000713013167 661189706 /nfs/dbraw/zinc/18/97/06/661189706.db2.gz KCLNAXIKTPDISM-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CCO1 ZINC000721527493 655814971 /nfs/dbraw/zinc/81/49/71/655814971.db2.gz HBVSESNVVKYKHE-FHWLQOOXSA-N 1 0 316.489 3.444 10 0 DGAERO Brc1ccsc1CC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000713047860 661189780 /nfs/dbraw/zinc/18/97/80/661189780.db2.gz ZAVZVLDMUIFJDI-PWSUYJOCSA-N 1 0 316.264 3.210 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CCc2sccc2Br)CCO1 ZINC000713095499 661190298 /nfs/dbraw/zinc/19/02/98/661190298.db2.gz UOILDQSXVYKLTC-UWVGGRQHSA-N 1 0 304.253 3.210 10 0 DGAERO Brc1ccsc1CC[NH2+][C@H]1CCCOCC1 ZINC000713094641 661190338 /nfs/dbraw/zinc/19/03/38/661190338.db2.gz TVWRWBJXNAUDIF-JTQLQIEISA-N 1 0 304.253 3.212 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000724918154 655829930 /nfs/dbraw/zinc/82/99/30/655829930.db2.gz QTXNTOWAIDQRFX-YDGIUTOCSA-N 1 0 316.626 3.106 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2cncc(Br)c2)OC1 ZINC000713625102 661192449 /nfs/dbraw/zinc/19/24/49/661192449.db2.gz VODNSMICGZQDHN-CYBMUJFWSA-N 1 0 313.239 3.139 10 0 DGAERO C[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000721570971 655851227 /nfs/dbraw/zinc/85/12/27/655851227.db2.gz PERRJNVHTLQMRN-RDBSUJKOSA-N 1 0 314.470 3.083 10 0 DGAERO CN(CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C(=O)OC(C)(C)C ZINC000721572000 655852620 /nfs/dbraw/zinc/85/26/20/655852620.db2.gz SFQWPJXIXXEVPF-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO CC[C@@H]1CC[C@H](C)[N@H+](Cc2cn(C)nc2Br)C1 ZINC000713825308 661194687 /nfs/dbraw/zinc/19/46/87/661194687.db2.gz KHQKWROLVNYGHB-WDEREUQCSA-N 1 0 300.244 3.193 10 0 DGAERO CC(C)C1CCC(C[NH2+]CC[C@@H]2CCCS2(=O)=O)CC1 ZINC000714360471 661198568 /nfs/dbraw/zinc/19/85/68/661198568.db2.gz JVXRUCWZOBMDLY-GPANFISMSA-N 1 0 301.496 3.006 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714361606 661198803 /nfs/dbraw/zinc/19/88/03/661198803.db2.gz SIPCBGQWKWVTSV-ZNMIVQPWSA-N 1 0 301.496 3.148 10 0 DGAERO CC[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cccc(Cl)c1 ZINC000714364936 661199310 /nfs/dbraw/zinc/19/93/10/661199310.db2.gz KANRVALLDHKPKW-CABCVRRESA-N 1 0 315.866 3.348 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177568310 655933158 /nfs/dbraw/zinc/93/31/58/655933158.db2.gz XUWRUHFGQRTQJB-XJFGHQHYSA-N 1 0 304.409 3.218 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000066125265 655933455 /nfs/dbraw/zinc/93/34/55/655933455.db2.gz TUTAOQZYTHJXOP-LBPRGKRZSA-N 1 0 319.836 3.348 10 0 DGAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000721617097 655946991 /nfs/dbraw/zinc/94/69/91/655946991.db2.gz ZGVCELCZAVEJIJ-OTWHNJEPSA-N 1 0 316.489 3.444 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCCS1)c1ccc(S(C)(=O)=O)cc1 ZINC000715623753 661213118 /nfs/dbraw/zinc/21/31/18/661213118.db2.gz RCXCSFLCOTVZHS-GXTWGEPZSA-N 1 0 313.488 3.026 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000309864598 656090053 /nfs/dbraw/zinc/09/00/53/656090053.db2.gz KZRPHGSQDLNFQQ-WBVHZDCISA-N 1 0 318.461 3.464 10 0 DGAERO O=C(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)OCc1ccccc1 ZINC000181420883 656099073 /nfs/dbraw/zinc/09/90/73/656099073.db2.gz PJYXPPVQJJCJGT-AWEZNQCLSA-N 1 0 315.335 3.394 10 0 DGAERO C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000716530206 661224407 /nfs/dbraw/zinc/22/44/07/661224407.db2.gz XZWWWGCVVNLEGJ-JTQLQIEISA-N 1 0 315.244 3.040 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(F)c1 ZINC000309682707 656114242 /nfs/dbraw/zinc/11/42/42/656114242.db2.gz HSTLOXLBZDMOHK-PLNGDYQASA-N 1 0 312.360 3.135 10 0 DGAERO Cc1nocc1CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677466 661226685 /nfs/dbraw/zinc/22/66/85/661226685.db2.gz FKFNAZKYQXSQEX-UHOSZYNNSA-N 1 0 311.429 3.126 10 0 DGAERO CCOC(=O)/C=C\C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000310527620 656150171 /nfs/dbraw/zinc/15/01/71/656150171.db2.gz JEQRRPSWNGZSGO-WYGGZMRJSA-N 1 0 312.207 3.219 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1c(F)cccc1Br ZINC000716842949 661229914 /nfs/dbraw/zinc/22/99/14/661229914.db2.gz IUDVDZIVTZLIJK-UWVGGRQHSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000716862491 661230052 /nfs/dbraw/zinc/23/00/52/661230052.db2.gz SRYUIBGHRHBREP-ZANVPECISA-N 1 0 304.203 3.227 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCC3(CCC3)O2)C1 ZINC000716857302 661230098 /nfs/dbraw/zinc/23/00/98/661230098.db2.gz JETGBNMETBRXFJ-HUUCEWRRSA-N 1 0 324.465 3.077 10 0 DGAERO C[NH2+]C[C@@H]1CCCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000053706529 656203086 /nfs/dbraw/zinc/20/30/86/656203086.db2.gz WLBILEGODMKLFB-JTQLQIEISA-N 1 0 307.747 3.332 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCCCCCCC[NH+](C)C)o1 ZINC000125097649 656267479 /nfs/dbraw/zinc/26/74/79/656267479.db2.gz ALBYLLACDNCLIC-HNNXBMFYSA-N 1 0 309.454 3.460 10 0 DGAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000717554265 661265481 /nfs/dbraw/zinc/26/54/81/661265481.db2.gz KSTBVMPGVXIHSY-QPSCCSFWSA-N 1 0 301.496 3.147 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccncc1 ZINC000723832988 656501785 /nfs/dbraw/zinc/50/17/85/656501785.db2.gz UXXNOARXFWXNIT-IJEWVQPXSA-N 1 0 319.449 3.235 10 0 DGAERO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000723954211 656504865 /nfs/dbraw/zinc/50/48/65/656504865.db2.gz XENDNMQFPSDPDS-NBYUQASBSA-N 1 0 316.489 3.444 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC000724106664 656509830 /nfs/dbraw/zinc/50/98/30/656509830.db2.gz ASRXKGJASDFFJY-FRRDWIJNSA-N 1 0 318.408 3.457 10 0 DGAERO OCC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000725116703 656531425 /nfs/dbraw/zinc/53/14/25/656531425.db2.gz XBZUEQXWTFCOOP-HXUWFJFHSA-N 1 0 316.489 3.182 10 0 DGAERO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094374948 656576615 /nfs/dbraw/zinc/57/66/15/656576615.db2.gz NKXMLAMYJXKTPG-BXUZGUMPSA-N 1 0 310.463 3.387 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC000074318653 661277791 /nfs/dbraw/zinc/27/77/91/661277791.db2.gz OGZFELOYDRKETH-CQSZACIVSA-N 1 0 303.450 3.250 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCOC1 ZINC000230259845 656872404 /nfs/dbraw/zinc/87/24/04/656872404.db2.gz SLFIFPQSLRSKGD-ZBFHGGJFSA-N 1 0 318.417 3.399 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@@H](O)c3cc(C)cc(C)c3)C2)c1 ZINC000246821772 657003874 /nfs/dbraw/zinc/00/38/74/657003874.db2.gz XHUZYMHZRMZKKP-RTBURBONSA-N 1 0 313.445 3.179 10 0 DGAERO C[C@H](CN1CC[NH2+]C[C@@H]1c1cccnc1)c1cccc(Cl)c1 ZINC000261797827 657105098 /nfs/dbraw/zinc/10/50/98/657105098.db2.gz GTKKZJBFYOXCLB-RDTXWAMCSA-N 1 0 315.848 3.485 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1F ZINC000261849721 657136962 /nfs/dbraw/zinc/13/69/62/657136962.db2.gz JIIFEKUZQSGBOG-MLGOLLRUSA-N 1 0 322.424 3.309 10 0 DGAERO Cc1nn(C)c(Cl)c1C[N@@H+](CCc1nccs1)C(C)C ZINC000159941052 657331359 /nfs/dbraw/zinc/33/13/59/657331359.db2.gz GFKJFTMZNWMHRP-UHFFFAOYSA-N 1 0 312.870 3.292 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000249140916 657392446 /nfs/dbraw/zinc/39/24/46/657392446.db2.gz XWXYRMLSWVKLRT-WNRNVDISSA-N 1 0 319.445 3.396 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249269293 657395337 /nfs/dbraw/zinc/39/53/37/657395337.db2.gz JRYIAXJAPYGRDR-MBNYWOFBSA-N 1 0 317.351 3.439 10 0 DGAERO COCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000304235751 657610409 /nfs/dbraw/zinc/61/04/09/657610409.db2.gz BYYOCCYFXPFIGK-CQSZACIVSA-N 1 0 322.449 3.178 10 0 DGAERO CSC1CCC(C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000720581865 657937311 /nfs/dbraw/zinc/93/73/11/657937311.db2.gz FTPVOJKTMYBNFE-UHFFFAOYSA-N 1 0 318.284 3.184 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2F)C[C@H]1C(F)(F)F ZINC000720844259 658148573 /nfs/dbraw/zinc/14/85/73/658148573.db2.gz LJSNBHIBBFSAKJ-GXSJLCMTSA-N 1 0 310.722 3.048 10 0 DGAERO C[C@H](c1ccccc1Cl)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720876449 658154770 /nfs/dbraw/zinc/15/47/70/658154770.db2.gz ISMMIPVGFLFIBI-SCVCMEIPSA-N 1 0 306.759 3.470 10 0 DGAERO CC1([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC(F)(F)C1 ZINC000720978200 658279048 /nfs/dbraw/zinc/27/90/48/658279048.db2.gz RHPHMQMUNXMPPK-UHFFFAOYSA-N 1 0 303.736 3.389 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000721898813 658759806 /nfs/dbraw/zinc/75/98/06/658759806.db2.gz OHWWISCOKGVLSK-CEXWTWQISA-N 1 0 304.478 3.158 10 0 DGAERO OCCCSCC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722099636 658772826 /nfs/dbraw/zinc/77/28/26/658772826.db2.gz HTLQRIJUIMHYPM-UHFFFAOYSA-N 1 0 308.274 3.241 10 0 DGAERO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C3OCCO3)cc2)CCO1 ZINC000721891502 658800922 /nfs/dbraw/zinc/80/09/22/658800922.db2.gz WFZYLQWVSWGWND-SJORKVTESA-N 1 0 319.445 3.415 10 0 DGAERO CC(=O)c1ccc(NC(=S)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000044085158 658857404 /nfs/dbraw/zinc/85/74/04/658857404.db2.gz YSPBPQKBCOUGFY-CYBMUJFWSA-N 1 0 319.474 3.050 10 0 DGAERO CC(=O)c1ccc(NC(=S)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000044085160 658857542 /nfs/dbraw/zinc/85/75/42/658857542.db2.gz YSPBPQKBCOUGFY-ZDUSSCGKSA-N 1 0 319.474 3.050 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)/C=C(/C)C2CC2)CC1 ZINC000055011986 658909275 /nfs/dbraw/zinc/90/92/75/658909275.db2.gz PVWNGHTWIGLQKE-PFONDFGASA-N 1 0 313.445 3.123 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cn1cc(-c3ccccc3)cn1)CC2 ZINC000164939396 658957293 /nfs/dbraw/zinc/95/72/93/658957293.db2.gz DNBJNYZUUUKHGQ-MOPGFXCFSA-N 1 0 311.429 3.135 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cn2cnc3cc(F)c(F)cc32)s1 ZINC000165181411 658969780 /nfs/dbraw/zinc/96/97/80/658969780.db2.gz OBUPAIWCGIHHAW-UHFFFAOYSA-N 1 0 322.384 3.211 10 0 DGAERO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccc(F)c2Br)C1 ZINC000157009937 658976036 /nfs/dbraw/zinc/97/60/36/658976036.db2.gz VBTQLTOFSSUHCN-WDEREUQCSA-N 1 0 315.230 3.147 10 0 DGAERO CC[NH+](CC)CCCNC(=O)c1sc2c(c1OC)CCCC2 ZINC000223464008 658981362 /nfs/dbraw/zinc/98/13/62/658981362.db2.gz HIMVXSZMLNRIOO-UHFFFAOYSA-N 1 0 324.490 3.097 10 0 DGAERO c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(C3OCCO3)cc1)C2 ZINC000166234789 659021373 /nfs/dbraw/zinc/02/13/73/659021373.db2.gz JQTQVJMEDVYTHW-IBGZPJMESA-N 1 0 309.409 3.379 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000166625455 659041402 /nfs/dbraw/zinc/04/14/02/659041402.db2.gz GBGWOTGPAVVJOW-XHDPSFHLSA-N 1 0 309.841 3.252 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCSC(C)(C)C ZINC000157288168 659041598 /nfs/dbraw/zinc/04/15/98/659041598.db2.gz QWBQZXGLKISTMQ-AWEZNQCLSA-N 1 0 300.512 3.241 10 0 DGAERO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccn(C)c1 ZINC000225912719 659087277 /nfs/dbraw/zinc/08/72/77/659087277.db2.gz ZKBQVWQXWZWKTD-QGZVFWFLSA-N 1 0 309.454 3.054 10 0 DGAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000227586640 659158712 /nfs/dbraw/zinc/15/87/12/659158712.db2.gz VBWZXNDOBZXSKB-IUODEOHRSA-N 1 0 306.406 3.301 10 0 DGAERO COc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1F ZINC000227756829 659163175 /nfs/dbraw/zinc/16/31/75/659163175.db2.gz PZHAPXPYVANMQX-AATRIKPKSA-N 1 0 324.396 3.005 10 0 DGAERO CCOc1cccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1 ZINC000227756535 659163260 /nfs/dbraw/zinc/16/32/60/659163260.db2.gz FWGFCBBWCBHTTB-VOTSOKGWSA-N 1 0 320.433 3.256 10 0 DGAERO Cc1sc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1Br ZINC000227807593 659164519 /nfs/dbraw/zinc/16/45/19/659164519.db2.gz POMQVXHIUKJFOZ-VHSXEESVSA-N 1 0 304.253 3.212 10 0 DGAERO Cc1sc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1Br ZINC000227839268 659165990 /nfs/dbraw/zinc/16/59/90/659165990.db2.gz GRSRDWNKGZQOST-SKDRFNHKSA-N 1 0 304.253 3.070 10 0 DGAERO CCN(CCC[NH2+][C@@H]1CCCSC1)C(=O)OC(C)(C)C ZINC000228792613 659212653 /nfs/dbraw/zinc/21/26/53/659212653.db2.gz ZDBKANSLADHSLF-CYBMUJFWSA-N 1 0 302.484 3.119 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1cccc(F)c1Br ZINC000229165675 659242864 /nfs/dbraw/zinc/24/28/64/659242864.db2.gz PCZMDBOYTMNKMD-UHFFFAOYSA-N 1 0 304.203 3.227 10 0 DGAERO C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@H]1CSCCS1 ZINC000229597487 659271823 /nfs/dbraw/zinc/27/18/23/659271823.db2.gz IDIYTBWDYUCHEP-KGLIPLIRSA-N 1 0 301.521 3.307 10 0 DGAERO CN(C/C=C\c1ccccc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000229872850 659286707 /nfs/dbraw/zinc/28/67/07/659286707.db2.gz SSGWNJCQYVMJJZ-YFWYWMRJSA-N 1 0 300.446 3.423 10 0 DGAERO COC1CC([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000230689819 659346876 /nfs/dbraw/zinc/34/68/76/659346876.db2.gz OMVBAXXWVMOLJT-UHFFFAOYSA-N 1 0 304.615 3.370 10 0 DGAERO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CN1CCOC1=S ZINC000172971743 659368401 /nfs/dbraw/zinc/36/84/01/659368401.db2.gz SLJNSENSOYNYDE-INIZCTEOSA-N 1 0 306.475 3.213 10 0 DGAERO C[C@H]1CC[C@H](CCC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000174210036 659420031 /nfs/dbraw/zinc/42/00/31/659420031.db2.gz VLCFBCFHHDIQNU-CGTJXYLNSA-N 1 0 317.429 3.152 10 0 DGAERO CC[C@@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)OC ZINC000311234937 659458426 /nfs/dbraw/zinc/45/84/26/659458426.db2.gz VLULQAXBKMROTF-WCQYABFASA-N 1 0 314.223 3.287 10 0 DGAERO CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089390901 659639650 /nfs/dbraw/zinc/63/96/50/659639650.db2.gz FLPFMHONAOCHSM-ZYHUDNBSSA-N 1 0 300.855 3.125 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+]C[C@@H](O)C(C)(C)C)C(C)(C)C ZINC000324306794 659655776 /nfs/dbraw/zinc/65/57/76/659655776.db2.gz XTICOMWBNOCDRY-CYBMUJFWSA-N 1 0 316.486 3.019 10 0 DGAERO Cc1ncccc1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000237604483 659932039 /nfs/dbraw/zinc/93/20/39/659932039.db2.gz NDQLKKDVXBLZIF-OAHLLOKOSA-N 1 0 319.449 3.127 10 0 DGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000179864698 659944429 /nfs/dbraw/zinc/94/44/29/659944429.db2.gz LPAUGGSZFAQROQ-HNNXBMFYSA-N 1 0 324.852 3.187 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000180205610 659956138 /nfs/dbraw/zinc/95/61/38/659956138.db2.gz LUUUKQSEDPXUPA-ZDUSSCGKSA-N 1 0 312.417 3.086 10 0 DGAERO CCCCC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189035107 659996663 /nfs/dbraw/zinc/99/66/63/659996663.db2.gz VFQKLOINJLCNTJ-WMLDXEAASA-N 1 0 306.425 3.485 10 0 DGAERO CSCCCCCCNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000181536764 660006630 /nfs/dbraw/zinc/00/66/30/660006630.db2.gz GHHBMIANPGFFGL-OAHLLOKOSA-N 1 0 315.527 3.083 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C[C@H]1CCCN(c3ccccc3)C1)CCC2 ZINC000353596117 660009284 /nfs/dbraw/zinc/00/92/84/660009284.db2.gz PWEGWLIPQPADFQ-QAPCUYQASA-N 1 0 310.445 3.293 10 0 DGAERO CCCCCC[C@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182357087 660045957 /nfs/dbraw/zinc/04/59/57/660045957.db2.gz WYKPZECRKCTPBO-HOCLYGCPSA-N 1 0 320.481 3.172 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](c2nc(-c3cccc(Br)c3)no2)C1 ZINC000070557323 660066111 /nfs/dbraw/zinc/06/61/11/660066111.db2.gz DEIPUPFINLKYJF-ZYHUDNBSSA-N 1 0 322.206 3.484 10 0 DGAERO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(Cl)cn2)cc1 ZINC000182685184 660071948 /nfs/dbraw/zinc/07/19/48/660071948.db2.gz DGEQBYSDMKLOFR-LBPRGKRZSA-N 1 0 301.777 3.316 10 0 DGAERO Cc1c(C)c(N2CCC(C[NH+]3CCCC3)CC2)nnc1Cl ZINC000071187143 660108459 /nfs/dbraw/zinc/10/84/59/660108459.db2.gz CXRPQGOJVYOUHG-UHFFFAOYSA-N 1 0 308.857 3.059 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]CCC1(C)OCCO1)C(C)C ZINC000183884192 660145397 /nfs/dbraw/zinc/14/53/97/660145397.db2.gz ZANFPMLNQXESJC-INIZCTEOSA-N 1 0 307.434 3.005 10 0 DGAERO Cc1c(O)ccc2c(C[NH2+][C@@H](C)C3CCCC3)cc(=O)oc12 ZINC000184648264 660178844 /nfs/dbraw/zinc/17/88/44/660178844.db2.gz LTSXTVRBHQVZTA-LBPRGKRZSA-N 1 0 301.386 3.475 10 0 DGAERO C[C@@H](CNC(=O)/C=C/C(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC000074463595 661692925 /nfs/dbraw/zinc/69/29/25/661692925.db2.gz RSTSRWFWOUWXQW-LJLILKBBSA-N 1 0 306.475 3.213 10 0 DGAERO CN(Cc1ccc(Cl)nc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000155655907 661850739 /nfs/dbraw/zinc/85/07/39/661850739.db2.gz WCOKDVOHLXTVKB-UHFFFAOYSA-N 1 0 317.820 3.069 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)CCCCC[NH3+])C2)n1 ZINC000155780009 661852286 /nfs/dbraw/zinc/85/22/86/661852286.db2.gz GXGXKQGMLHLSGD-CQSZACIVSA-N 1 0 323.506 3.492 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCCSC(C)(C)C)C1 ZINC000158579463 661874449 /nfs/dbraw/zinc/87/44/49/661874449.db2.gz JYVDAOHXTMVRCO-KGLIPLIRSA-N 1 0 300.512 3.143 10 0 DGAERO COc1ccc2c(c1)C(=O)N(CN(C)[C@@H]1CCc3ccccc31)C2 ZINC000189703002 661988163 /nfs/dbraw/zinc/98/81/63/661988163.db2.gz SPMWZVCPHNBJIG-LJQANCHMSA-N 1 0 322.408 3.228 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189883560 661995173 /nfs/dbraw/zinc/99/51/73/661995173.db2.gz DMSWBMVJTVDWQY-DNVCBOLYSA-N 1 0 307.397 3.257 10 0 DGAERO CCC[N@H+](CC1CCC2(CC1)OCCO2)C[C@@H]1CCCCO1 ZINC000190294316 662026840 /nfs/dbraw/zinc/02/68/40/662026840.db2.gz JWZBWRJMVOOQPH-KRWDZBQOSA-N 1 0 311.466 3.201 10 0 DGAERO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3cc4[nH]cccc-4c3=O)C2)c1 ZINC000190305362 662027381 /nfs/dbraw/zinc/02/73/81/662027381.db2.gz OISXOLZVYKKVDL-INIZCTEOSA-N 1 0 321.424 3.101 10 0 DGAERO C[C@@](CO)([NH2+]C[C@H](O)c1ccccc1Cl)C1CCCCC1 ZINC000077656047 662035517 /nfs/dbraw/zinc/03/55/17/662035517.db2.gz HVGDLQNMLDOZTK-IRXDYDNUSA-N 1 0 311.853 3.294 10 0 DGAERO CC1(C)[C@@H]([NH2+]CC2(C)OCCCO2)C[C@@H]1OCc1ccccc1 ZINC000190658300 662039815 /nfs/dbraw/zinc/03/98/15/662039815.db2.gz ZWDXBWZFJKTXHO-IRXDYDNUSA-N 1 0 319.445 3.113 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193493829 662136027 /nfs/dbraw/zinc/13/60/27/662136027.db2.gz OEQYUSIBOLBSOZ-ZDUSSCGKSA-N 1 0 314.389 3.109 10 0 DGAERO COc1ccc(C[N@H+](C)C[C@@H](O)c2cc(C)cc(C)c2)cc1O ZINC000080962316 662157169 /nfs/dbraw/zinc/15/71/69/662157169.db2.gz YTJBUVZJWZVRIB-GOSISDBHSA-N 1 0 315.413 3.183 10 0 DGAERO CCn1cc(C2CC[NH+](CCOc3ccccc3C)CC2)cn1 ZINC000195513196 662191213 /nfs/dbraw/zinc/19/12/13/662191213.db2.gz UCLZNCBEPZJNQL-UHFFFAOYSA-N 1 0 313.445 3.470 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(C(F)(F)F)s2)n1 ZINC000717911957 662197435 /nfs/dbraw/zinc/19/74/35/662197435.db2.gz NHYKUWUXNHJWNO-ZETCQYMHSA-N 1 0 305.325 3.352 10 0 DGAERO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717934400 662207142 /nfs/dbraw/zinc/20/71/42/662207142.db2.gz DQCCKZGXAWVVBG-IUCAKERBSA-N 1 0 308.369 3.331 10 0 DGAERO COC1CC(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)C1 ZINC000717993295 662213020 /nfs/dbraw/zinc/21/30/20/662213020.db2.gz AOFQWFXMOYRBIQ-FOIPXRHGSA-N 1 0 303.446 3.385 10 0 DGAERO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(C(F)(F)F)s1 ZINC000717970055 662213376 /nfs/dbraw/zinc/21/33/76/662213376.db2.gz WLPDZUYRSDELSU-SECBINFHSA-N 1 0 308.369 3.286 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@H](CNCc1nccn1C1CC1)C1CC1 ZINC000718041553 662215531 /nfs/dbraw/zinc/21/55/31/662215531.db2.gz RTPKCCNFXHOVHU-LJQANCHMSA-N 1 0 324.472 3.218 10 0 DGAERO [NH3+]C1CC(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000718092836 662222026 /nfs/dbraw/zinc/22/20/26/662222026.db2.gz VPFHWBLIVKJUSE-UHFFFAOYSA-N 1 0 306.715 3.425 10 0 DGAERO C[C@H]1CSCC[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000245742689 662240267 /nfs/dbraw/zinc/24/02/67/662240267.db2.gz GIJSTGSFRYJRHY-SMDDNHRTSA-N 1 0 310.850 3.270 10 0 DGAERO C[C@@H]1CSCC[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000245742686 662240433 /nfs/dbraw/zinc/24/04/33/662240433.db2.gz GIJSTGSFRYJRHY-BXUZGUMPSA-N 1 0 310.850 3.270 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000089431270 662243642 /nfs/dbraw/zinc/24/36/42/662243642.db2.gz RZJCUKMDZQKUSZ-JQWIXIFHSA-N 1 0 309.772 3.295 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000089451584 662243800 /nfs/dbraw/zinc/24/38/00/662243800.db2.gz MASFFRQGXVCGOQ-JOYOIKCWSA-N 1 0 300.374 3.315 10 0 DGAERO C[N@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)[C@H](CO)C(C)(C)C ZINC000246134910 662248202 /nfs/dbraw/zinc/24/82/02/662248202.db2.gz KZVLFSMFWUGNPN-GDBMZVCRSA-N 1 0 324.852 3.172 10 0 DGAERO FC(F)(F)c1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cs1 ZINC000718187602 662249449 /nfs/dbraw/zinc/24/94/49/662249449.db2.gz XQUPLHTXVFBFQP-SSDOTTSWSA-N 1 0 303.309 3.284 10 0 DGAERO CCC[N@H+](C[C@@H](O)c1c(F)cccc1F)C[C@H]1CCCCO1 ZINC000246377366 662256537 /nfs/dbraw/zinc/25/65/37/662256537.db2.gz SFKOFICGHBOWAB-CZUORRHYSA-N 1 0 313.388 3.279 10 0 DGAERO COCC(C)(C)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000718714052 662260316 /nfs/dbraw/zinc/26/03/16/662260316.db2.gz CBUQOICNXPEUNZ-CQSZACIVSA-N 1 0 314.470 3.038 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC000718731175 662260977 /nfs/dbraw/zinc/26/09/77/662260977.db2.gz FTDZDLXJVLJPQV-RBSFLKMASA-N 1 0 314.470 3.179 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000718738574 662261164 /nfs/dbraw/zinc/26/11/64/662261164.db2.gz ZBNQMJCQKBERJB-HUUCEWRRSA-N 1 0 314.470 3.181 10 0 DGAERO CO[C@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000718804235 662262020 /nfs/dbraw/zinc/26/20/20/662262020.db2.gz ZDLREQOJAYGVSD-MOPGFXCFSA-N 1 0 313.445 3.369 10 0 DGAERO CC1(C)CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000718949431 662265522 /nfs/dbraw/zinc/26/55/22/662265522.db2.gz IPFZCDUTBMVMMH-ILXRZTDVSA-N 1 0 301.496 3.291 10 0 DGAERO COC1(CC[NH2+]Cc2nc(C)c(Br)s2)CCC1 ZINC000719209421 662271629 /nfs/dbraw/zinc/27/16/29/662271629.db2.gz GWWQXVQYJHYONM-UHFFFAOYSA-N 1 0 319.268 3.263 10 0 DGAERO CO[C@]1(C[NH2+]Cc2ccccc2Br)CCSC1 ZINC000719315113 662273418 /nfs/dbraw/zinc/27/34/18/662273418.db2.gz HJKODBCAILFARP-ZDUSSCGKSA-N 1 0 316.264 3.061 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CS[C@H](C)C2)sc1Br ZINC000719318921 662273619 /nfs/dbraw/zinc/27/36/19/662273619.db2.gz ZNPKMTNDRUUZDC-SVRRBLITSA-N 1 0 307.282 3.198 10 0 DGAERO CSC(C)(C)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719325916 662273970 /nfs/dbraw/zinc/27/39/70/662273970.db2.gz DYLHDOVXKXBBNV-UHFFFAOYSA-N 1 0 309.298 3.445 10 0 DGAERO C[N@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C[C@@H]1CCCOC1 ZINC000246774173 662278438 /nfs/dbraw/zinc/27/84/38/662278438.db2.gz QAABUWKEUFJUOD-XJKSGUPXSA-N 1 0 322.836 3.191 10 0 DGAERO OC1(C(F)(F)F)CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000719396752 662281032 /nfs/dbraw/zinc/28/10/32/662281032.db2.gz XBXQETJIVYLYOJ-UHFFFAOYSA-N 1 0 314.760 3.122 10 0 DGAERO Cc1ccc(Cc2noc(-c3csc([C@@H](C)[NH3+])n3)n2)cc1 ZINC000090938899 662286288 /nfs/dbraw/zinc/28/62/88/662286288.db2.gz XSZIGGCSFPNOIH-SNVBAGLBSA-N 1 0 300.387 3.112 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Br ZINC000719460250 662288858 /nfs/dbraw/zinc/28/88/58/662288858.db2.gz IBPCTSDOOMUIAY-KWQFWETISA-N 1 0 304.615 3.370 10 0 DGAERO Cc1ccc(C[NH2+]CCc2cn(C)cn2)c(C)c1Br ZINC000719614939 662294631 /nfs/dbraw/zinc/29/46/31/662294631.db2.gz IDKCKJYZDAKHCN-UHFFFAOYSA-N 1 0 322.250 3.132 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000720149558 662303108 /nfs/dbraw/zinc/30/31/08/662303108.db2.gz NXZVGBCNUFYTLB-RDBSUJKOSA-N 1 0 314.470 3.035 10 0 DGAERO Cc1csc([C@@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)n1 ZINC000720268892 662307428 /nfs/dbraw/zinc/30/74/28/662307428.db2.gz TVLAXASVRMSITL-SSDOTTSWSA-N 1 0 304.284 3.274 10 0 DGAERO CCOC1CCC([NH2+]CCOC(F)(F)C(F)(F)F)CC1 ZINC000720259873 662307562 /nfs/dbraw/zinc/30/75/62/662307562.db2.gz JKMLGDXYDPMWTI-UHFFFAOYSA-N 1 0 305.287 3.095 10 0 DGAERO C[N@H+](CCCNC(=O)CSC(C)(C)C)Cc1ccccc1 ZINC000248068355 662332821 /nfs/dbraw/zinc/33/28/21/662332821.db2.gz RSZSBTQSVJSYPH-UHFFFAOYSA-N 1 0 308.491 3.156 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3C=CCCC3)C[C@@H]12 ZINC000248617785 662355441 /nfs/dbraw/zinc/35/54/41/662355441.db2.gz SCFSNJISBSUGFI-KLHDSHLOSA-N 1 0 306.450 3.330 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(OC)ccc1Br ZINC000716948766 685275940 /nfs/dbraw/zinc/27/59/40/685275940.db2.gz VZIQPFVZYOLZAF-JQWIXIFHSA-N 1 0 316.239 3.097 10 0 DGAERO CCOc1ccccc1C[N@H+](C)C[C@@H](O)c1ccccc1F ZINC000134026036 685069318 /nfs/dbraw/zinc/06/93/18/685069318.db2.gz RYQWOHSHFPPURQ-QGZVFWFLSA-N 1 0 303.377 3.390 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)cc(C)c1O ZINC000227679833 685118672 /nfs/dbraw/zinc/11/86/72/685118672.db2.gz NHTMDXUJFMHRLI-CYBMUJFWSA-N 1 0 308.422 3.012 10 0 DGAERO C[C@@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCCCO1 ZINC000379178666 685147042 /nfs/dbraw/zinc/14/70/42/685147042.db2.gz ODZARGORIGCSCS-KGLIPLIRSA-N 1 0 314.470 3.227 10 0 DGAERO Cc1nc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)s1 ZINC000379478365 685147944 /nfs/dbraw/zinc/14/79/44/685147944.db2.gz JSFAELCTZROFKD-JTQLQIEISA-N 1 0 313.467 3.105 10 0 DGAERO CCn1ccnc1CNC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379621037 685148684 /nfs/dbraw/zinc/14/86/84/685148684.db2.gz DULJXAVMZHWCAA-GOSISDBHSA-N 1 0 312.461 3.047 10 0 DGAERO CCn1ccnc1CNC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379621038 685149456 /nfs/dbraw/zinc/14/94/56/685149456.db2.gz DULJXAVMZHWCAA-SFHVURJKSA-N 1 0 312.461 3.047 10 0 DGAERO CCSCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000381502525 685157773 /nfs/dbraw/zinc/15/77/73/685157773.db2.gz HMAPLFXDEWLZCN-QWHCGFSZSA-N 1 0 302.484 3.165 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000381528492 685157844 /nfs/dbraw/zinc/15/78/44/685157844.db2.gz ZUCZSMACTHAHLV-GHMZBOCLSA-N 1 0 314.376 3.356 10 0 DGAERO Cc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cc1F ZINC000381824841 685160017 /nfs/dbraw/zinc/16/00/17/685160017.db2.gz GZEXEUQAOGJKIR-WAYWQWQTSA-N 1 0 308.397 3.305 10 0 DGAERO CN(CC[NH2+][C@H]1CCOC2(CCCC2)C1)Cc1ccccc1 ZINC000386670374 685180147 /nfs/dbraw/zinc/18/01/47/685180147.db2.gz GFOFWACMONKBHK-SFHVURJKSA-N 1 0 302.462 3.200 10 0 DGAERO C[C@@]1(C[NH2+]Cc2ncc(Br)s2)CCCS1 ZINC000389738845 685195284 /nfs/dbraw/zinc/19/52/84/685195284.db2.gz VFAMSNKDYVBUNK-JTQLQIEISA-N 1 0 307.282 3.281 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000389823182 685197183 /nfs/dbraw/zinc/19/71/83/685197183.db2.gz MHDNPLWUZIMIFS-LJIZCISZSA-N 1 0 308.466 3.410 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]Cc2ccoc2)CC1 ZINC000389918911 685197930 /nfs/dbraw/zinc/19/79/30/685197930.db2.gz RYHKRAGJOSWBEC-CQSZACIVSA-N 1 0 306.406 3.159 10 0 DGAERO O[C@H](C[NH2+]CCCCOCc1ccccc1)c1cccc(F)c1 ZINC000390597376 685203423 /nfs/dbraw/zinc/20/34/23/685203423.db2.gz XINBWIACOZDMNJ-LJQANCHMSA-N 1 0 317.404 3.446 10 0 DGAERO FC1(F)CCCC[C@@H]1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000390664166 685203523 /nfs/dbraw/zinc/20/35/23/685203523.db2.gz MKMLZBNSCWHFJC-MRVPVSSYSA-N 1 0 308.170 3.087 10 0 DGAERO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390889329 685207294 /nfs/dbraw/zinc/20/72/94/685207294.db2.gz ZXNAVWACODZHOZ-QRVBRYPASA-N 1 0 316.489 3.444 10 0 DGAERO O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CC1)NCc1ccccc1 ZINC000390950866 685207947 /nfs/dbraw/zinc/20/79/47/685207947.db2.gz PRLJJWRRHGRYPH-IBGZPJMESA-N 1 0 312.388 3.183 10 0 DGAERO CC(C)NC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000391058793 685208862 /nfs/dbraw/zinc/20/88/62/685208862.db2.gz GUPZBTNBEASXOM-ALOPSCKCSA-N 1 0 317.502 3.055 10 0 DGAERO O=c1cc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)cc[nH]1 ZINC000392746823 685214989 /nfs/dbraw/zinc/21/49/89/685214989.db2.gz GVGSEMXHULIBQN-CQSZACIVSA-N 1 0 319.202 3.327 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CSC2(C)C)CC1 ZINC000393882879 685220261 /nfs/dbraw/zinc/22/02/61/685220261.db2.gz NPEYTPLVXAQHKD-ZDUSSCGKSA-N 1 0 314.495 3.117 10 0 DGAERO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)o1 ZINC000397939425 685233334 /nfs/dbraw/zinc/23/33/34/685233334.db2.gz XYSYBPNSPGMGBP-AWEZNQCLSA-N 1 0 323.437 3.108 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CCCC2(F)F)CC1 ZINC000398133637 685235081 /nfs/dbraw/zinc/23/50/81/685235081.db2.gz KICJYGHQZBNLAW-ZDUSSCGKSA-N 1 0 318.408 3.411 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000398585455 685237583 /nfs/dbraw/zinc/23/75/83/685237583.db2.gz UXJKCCFLDNNBJS-KRWDZBQOSA-N 1 0 316.486 3.019 10 0 DGAERO COCCCCC[NH2+]Cc1cc(O)ccc1Br ZINC000126880098 1176146123 /nfs/dbraw/zinc/14/61/23/1176146123.db2.gz ZUPYNNMFRWMWKE-UHFFFAOYSA-N 1 0 302.212 3.061 10 0 DGAERO CC(C)(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)S(C)(=O)=O ZINC000093520539 1176272605 /nfs/dbraw/zinc/27/26/05/1176272605.db2.gz SPPWRUROLUFIOL-AWEZNQCLSA-N 1 0 315.866 3.204 10 0 DGAERO CCc1ccccc1C[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000227759774 1176543079 /nfs/dbraw/zinc/54/30/79/1176543079.db2.gz CDXVTQWOXFWQFM-CMDGGOBGSA-N 1 0 304.434 3.420 10 0 DGAERO CCCn1cncc1C[NH2+]Cc1csc(Br)c1 ZINC000397350124 1177004096 /nfs/dbraw/zinc/00/40/96/1177004096.db2.gz ZTUIGRLBBAYDAQ-UHFFFAOYSA-N 1 0 314.252 3.407 10 0 DGAERO CC[C@@H](COC)[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C ZINC000381933438 1177018280 /nfs/dbraw/zinc/01/82/80/1177018280.db2.gz SRFFPTAXPYARMJ-KGLIPLIRSA-N 1 0 302.459 3.085 10 0 DGAERO O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000398411064 1177019238 /nfs/dbraw/zinc/01/92/38/1177019238.db2.gz SXWILTUAMPGNDD-PIIMJCKOSA-N 1 0 309.369 3.137 10 0 DGAERO C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1I ZINC000307579420 1177023932 /nfs/dbraw/zinc/02/39/32/1177023932.db2.gz PQPMGOAPELSPSN-CABZTGNLSA-N 1 0 301.171 3.179 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)[C@@H](C)O1 ZINC000384655101 1177119164 /nfs/dbraw/zinc/11/91/64/1177119164.db2.gz COOMMGCVWJZLBQ-XYPYXGAPSA-N 1 0 324.262 3.462 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2c(F)ccc(Br)c2F)[C@@H](C)O1 ZINC000385087249 1177154141 /nfs/dbraw/zinc/15/41/41/1177154141.db2.gz FUQPCGOXVMYYEF-RWYTXXIDSA-N 1 0 320.177 3.383 10 0 DGAERO C[C@H]1CCC[C@@H]([NH2+]CCn2cc(Br)cn2)CC1 ZINC000310304415 1177643996 /nfs/dbraw/zinc/64/39/96/1177643996.db2.gz RFPUYJWDIOTAOZ-WCQYABFASA-N 1 0 300.244 3.204 10 0 DGAERO Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC000085355951 1177644770 /nfs/dbraw/zinc/64/47/70/1177644770.db2.gz CVQVNWGRGOONBB-AAEUAGOBSA-N 1 0 311.223 3.214 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1C(F)(F)F ZINC000085373082 1177713240 /nfs/dbraw/zinc/71/32/40/1177713240.db2.gz STZYPLHEZHMELN-WCQYABFASA-N 1 0 300.324 3.470 10 0 DGAERO CNC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000044989870 1194309105 /nfs/dbraw/zinc/30/91/05/1194309105.db2.gz UGIAGZYNVIWRPI-ZETCQYMHSA-N 1 0 309.624 3.434 10 0 DGAERO C=CCc1cc(C[NH2+][C@@H](CO)C2CCCCC2)cc(OC)c1O ZINC000072927496 1196122781 /nfs/dbraw/zinc/12/27/81/1196122781.db2.gz LJKGFYOFEFZCHJ-KRWDZBQOSA-N 1 0 319.445 3.160 10 0 DGAERO O=C(Nc1cccnc1Cl)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075537097 1196395852 /nfs/dbraw/zinc/39/58/52/1196395852.db2.gz DXIUIUAQWHHMPZ-ZDUSSCGKSA-N 1 0 322.840 3.121 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[NH2+]CCc1cn2ccccc2n1 ZINC000075759959 1196417106 /nfs/dbraw/zinc/41/71/06/1196417106.db2.gz AZLAUBLRHWMLMG-UHFFFAOYSA-N 1 0 317.396 3.057 10 0 DGAERO Cc1nn(C)c(C)c1CNCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000080206437 1197046137 /nfs/dbraw/zinc/04/61/37/1197046137.db2.gz VELPXWYEBIGYQT-HNNXBMFYSA-N 1 0 314.477 3.037 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289595 1197193544 /nfs/dbraw/zinc/19/35/44/1197193544.db2.gz ZBFBZGWYYDMTLK-LPHOPBHVSA-N 1 0 314.473 3.246 10 0 DGAERO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccsc2)cc1 ZINC000081597512 1197237990 /nfs/dbraw/zinc/23/79/90/1197237990.db2.gz CIQJBHJRZOBRTD-ZDUSSCGKSA-N 1 0 318.442 3.258 10 0 DGAERO Fc1cccc(CC[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000378901324 1197701140 /nfs/dbraw/zinc/70/11/40/1197701140.db2.gz XARYSXXWOVDCPB-UHFFFAOYSA-N 1 0 309.388 3.403 10 0 DGAERO Cc1csc(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000379623632 1197703501 /nfs/dbraw/zinc/70/35/01/1197703501.db2.gz IKYFPGSENPCFFC-HNNXBMFYSA-N 1 0 303.475 3.452 10 0 DGAERO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379649093 1197703528 /nfs/dbraw/zinc/70/35/28/1197703528.db2.gz NVIXIEMJDJIWJZ-BPQIPLTHSA-N 1 0 304.503 3.382 10 0 DGAERO C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000380952855 1197704271 /nfs/dbraw/zinc/70/42/71/1197704271.db2.gz RZBOILDDWALRKM-OLZOCXBDSA-N 1 0 310.413 3.260 10 0 DGAERO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCOCc1ccccc1 ZINC000390229031 1197712394 /nfs/dbraw/zinc/71/23/94/1197712394.db2.gz FEOVQNZDGRJMRT-MRXNPFEDSA-N 1 0 312.413 3.210 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2F)[C@H](C)O1 ZINC000395002350 1197722385 /nfs/dbraw/zinc/72/23/85/1197722385.db2.gz FIGVIFJDWGWBHI-PTRXPTGYSA-N 1 0 302.187 3.244 10 0 DGAERO Fc1ccc(CC[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000094365245 1198781015 /nfs/dbraw/zinc/78/10/15/1198781015.db2.gz RRWIDIKLJWFVDV-INIZCTEOSA-N 1 0 309.450 3.403 10 0 DGAERO CC(C)C[NH+]1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000096626242 1198986899 /nfs/dbraw/zinc/98/68/99/1198986899.db2.gz FBQNOFKTBOAZIO-UHFFFAOYSA-N 1 0 322.880 3.367 10 0 DGAERO CC[C@H]1CCCC[C@H]1C[NH2+]CCn1cc(Br)cn1 ZINC000401509683 1199406086 /nfs/dbraw/zinc/40/60/86/1199406086.db2.gz VADBWUBLZPHSGT-STQMWFEESA-N 1 0 314.271 3.452 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)o1 ZINC000401725115 1199417034 /nfs/dbraw/zinc/41/70/34/1199417034.db2.gz LDQKFRCQEBXBPU-TZMCWYRMSA-N 1 0 308.422 3.323 10 0 DGAERO CC(C)[C@@H]([NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000401950560 1199427064 /nfs/dbraw/zinc/42/70/64/1199427064.db2.gz LWULWNJQQMMKJK-ZWKOTPCHSA-N 1 0 316.445 3.422 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000401960564 1199427342 /nfs/dbraw/zinc/42/73/42/1199427342.db2.gz VSCKWWUVXMHDLL-GOSISDBHSA-N 1 0 314.429 3.488 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 ZINC000403384115 1199492032 /nfs/dbraw/zinc/49/20/32/1199492032.db2.gz GBELWIVUGYLJFR-CWVYHPPDSA-N 1 0 308.466 3.410 10 0 DGAERO CO[C@@H](C)C[NH2+]Cc1ccccc1CN(C)C(=O)OC(C)(C)C ZINC000404567865 1199570274 /nfs/dbraw/zinc/57/02/74/1199570274.db2.gz CXDFTQHMBUJEEI-AWEZNQCLSA-N 1 0 322.449 3.178 10 0 DGAERO CC[C@@H](C)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000312470700 1199752212 /nfs/dbraw/zinc/75/22/12/1199752212.db2.gz XBVPKNGIZGFDOR-LLVKDONJSA-N 1 0 316.276 3.492 10 0 DGAERO c1ccc(OC2CCCC2)c(C[NH2+]CCOC[C@H]2CCCO2)c1 ZINC000115625787 1199756622 /nfs/dbraw/zinc/75/66/22/1199756622.db2.gz NTFXRGKUFQPMJM-GOSISDBHSA-N 1 0 319.445 3.293 10 0 DGAERO Oc1cccc(C[NH2+]CCOc2ccccc2)c1Br ZINC000315114061 1199801401 /nfs/dbraw/zinc/80/14/01/1199801401.db2.gz LZHPEZGVNVUDOW-UHFFFAOYSA-N 1 0 322.202 3.323 10 0 DGAERO C[C@H](C[N@H+](C)CCOCc1ccccc1)C(=O)OC(C)(C)C ZINC000319986027 1199844239 /nfs/dbraw/zinc/84/42/39/1199844239.db2.gz GGUBBVRQLYMRHE-OAHLLOKOSA-N 1 0 307.434 3.113 10 0 DGAERO COC(=O)c1coc(C[NH2+][C@@H](C)Cc2ccccc2Cl)c1 ZINC000130734055 1201056864 /nfs/dbraw/zinc/05/68/64/1201056864.db2.gz WETZVRGZNKVOHQ-NSHDSACASA-N 1 0 307.777 3.440 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000131385166 1201151116 /nfs/dbraw/zinc/15/11/16/1201151116.db2.gz FIYXXXVHFWBSIJ-KDOFPFPSSA-N 1 0 310.482 3.009 10 0 DGAERO CC(C)OC[C@@H](O)C[NH2+][C@H](C)c1nc2ccccc2n1C(C)C ZINC000132493610 1201172411 /nfs/dbraw/zinc/17/24/11/1201172411.db2.gz IZQWJOBSSNNXSY-CABCVRRESA-N 1 0 319.449 3.054 10 0 DGAERO c1ncc(CNCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000135832791 1201205549 /nfs/dbraw/zinc/20/55/49/1201205549.db2.gz NIGUFZRDVCBABP-UHFFFAOYSA-N 1 0 301.459 3.419 10 0 DGAERO c1nn(-c2ccccc2)nc1C[NH2+]CCc1cc2ccccc2[nH]1 ZINC000135938579 1201207613 /nfs/dbraw/zinc/20/76/13/1201207613.db2.gz KHZJPXTZRXNGMC-UHFFFAOYSA-N 1 0 317.396 3.081 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2ccccc2)s1 ZINC000194739864 1201405891 /nfs/dbraw/zinc/40/58/91/1201405891.db2.gz QIQHOBAEKBVJLJ-AWEZNQCLSA-N 1 0 300.427 3.239 10 0 DGAERO C[C@H]1SCC[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000220649955 1202566771 /nfs/dbraw/zinc/56/67/71/1202566771.db2.gz PXKFNZPVJMFWET-HZSPNIEDSA-N 1 0 314.495 3.117 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](CO)SC)cc1Cl ZINC000152489567 1202594449 /nfs/dbraw/zinc/59/44/49/1202594449.db2.gz GWIGPBFKCZXUBV-XHDPSFHLSA-N 1 0 315.866 3.107 10 0 DGAERO c1csc(-c2nc(C[NH2+]CCCO[C@@H]3CCOC3)cs2)c1 ZINC000152929784 1202595427 /nfs/dbraw/zinc/59/54/27/1202595427.db2.gz XCBFZTBPLCACTJ-CYBMUJFWSA-N 1 0 324.471 3.157 10 0 DGAERO Clc1ccc(C[NH2+]CCCO[C@H]2CCOC2)cc1Cl ZINC000152961530 1202595627 /nfs/dbraw/zinc/59/56/27/1202595627.db2.gz YQMLGHVGCNWZOE-LBPRGKRZSA-N 1 0 304.217 3.279 10 0 DGAERO c1ccc(OC2CCCC2)c(C[NH2+]CCCO[C@H]2CCOC2)c1 ZINC000153053388 1202595768 /nfs/dbraw/zinc/59/57/68/1202595768.db2.gz IXLPEBYJSRSTTL-SFHVURJKSA-N 1 0 319.445 3.293 10 0 DGAERO c1csc(-c2ncc(C[NH2+]CCCO[C@@H]3CCOC3)s2)c1 ZINC000153061105 1202595871 /nfs/dbraw/zinc/59/58/71/1202595871.db2.gz XAEQMJHNPFUXNN-GFCCVEGCSA-N 1 0 324.471 3.157 10 0 DGAERO C=CCN1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000236632954 1202615066 /nfs/dbraw/zinc/61/50/66/1202615066.db2.gz MBPCNWWFEMZJDN-UHFFFAOYSA-N 1 0 309.251 3.189 10 0 DGAERO c1nc2ccccn2c1C[NH2+]CCCCOCc1ccccc1 ZINC000236703904 1202621884 /nfs/dbraw/zinc/62/18/84/1202621884.db2.gz PCPUFMXLASVOLE-UHFFFAOYSA-N 1 0 309.413 3.421 10 0 DGAERO c1ccc(COc2cccc(C[NH2+]CCOCC3CC3)c2)nc1 ZINC000236733429 1202622514 /nfs/dbraw/zinc/62/25/14/1202622514.db2.gz DIYGXXSRDXKMQJ-UHFFFAOYSA-N 1 0 312.413 3.177 10 0 DGAERO c1cn(CC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)cn1 ZINC000236759287 1202623256 /nfs/dbraw/zinc/62/32/56/1202623256.db2.gz QOGTWHSKVJIGDO-UHFFFAOYSA-N 1 0 317.396 3.012 10 0 DGAERO CCOCCCC[NH2+]Cc1ccc(Br)cc1F ZINC000236840922 1202627890 /nfs/dbraw/zinc/62/78/90/1202627890.db2.gz WZUQJZMGHOOGCB-UHFFFAOYSA-N 1 0 304.203 3.495 10 0 DGAERO CN(CC[NH2+]Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1 ZINC000237163655 1202652857 /nfs/dbraw/zinc/65/28/57/1202652857.db2.gz GEUWBTLKRCSQAQ-UHFFFAOYSA-N 1 0 320.440 3.094 10 0 DGAERO CCS(=O)(=O)CCCCC[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000190631452 1203282140 /nfs/dbraw/zinc/28/21/40/1203282140.db2.gz WTBDTCGWISPNEX-AWEZNQCLSA-N 1 0 317.520 3.216 10 0 DGAERO COC[C@@H]1CCC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000246583237 1203746724 /nfs/dbraw/zinc/74/67/24/1203746724.db2.gz NNFCTRONTYOIRB-CZUORRHYSA-N 1 0 322.836 3.191 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000255067586 1203836457 /nfs/dbraw/zinc/83/64/57/1203836457.db2.gz CDWQFSUMJDDBKO-UGEDRFTOSA-N 1 0 316.445 3.089 10 0 DGAERO COc1ccc(/C(C)=C\C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000255296971 1203839878 /nfs/dbraw/zinc/83/98/78/1203839878.db2.gz KQZQPYQXSTYJPS-PFONDFGASA-N 1 0 316.445 3.089 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000175401649 1203919326 /nfs/dbraw/zinc/91/93/26/1203919326.db2.gz QROYLAPWIFEMPT-OKFGHLOFSA-N 1 0 318.461 3.191 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C(\C)c2ccc(OC)cc2)C1 ZINC000176966658 1203944727 /nfs/dbraw/zinc/94/47/27/1203944727.db2.gz LJTFKOFRSDWJQB-VOGRQWBCSA-N 1 0 316.445 3.041 10 0 DGAERO Cc1noc([C@@H]([NH2+]CCCOc2cccc(C#N)c2)C(C)C)n1 ZINC000179870139 1204323823 /nfs/dbraw/zinc/32/38/23/1204323823.db2.gz IMPZMNGBQCIRHY-INIZCTEOSA-N 1 0 314.389 3.006 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCO1)CN(C)C(=O)OC(C)(C)C ZINC000705994565 1081855434 /nfs/dbraw/zinc/85/54/34/1081855434.db2.gz QOOQNNVYBIMUJI-ILXRZTDVSA-N 1 0 314.470 3.037 10 0 DGAERO COc1cccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC000397823927 1082003086 /nfs/dbraw/zinc/00/30/86/1082003086.db2.gz FVDABUYDSYFRJX-UHFFFAOYSA-N 1 0 308.422 3.090 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@@H](CO)C2CCCCC2)cc1OC ZINC000072927532 1082065424 /nfs/dbraw/zinc/06/54/24/1082065424.db2.gz LTMSUHBSCTZBMD-KRWDZBQOSA-N 1 0 319.445 3.291 10 0 DGAERO Cl/C=C\C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000588392249 1082123146 /nfs/dbraw/zinc/12/31/46/1082123146.db2.gz WBWCVNRJIGSILC-UQYHUFHVSA-N 1 0 302.809 3.404 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1ccc(F)cc1Br ZINC000398508079 1082161275 /nfs/dbraw/zinc/16/12/75/1082161275.db2.gz NICCOLKLGZISDE-GFCCVEGCSA-N 1 0 304.203 3.229 10 0 DGAERO Cl/C=C\C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000588392250 1083159583 /nfs/dbraw/zinc/15/95/83/1083159583.db2.gz WBWCVNRJIGSILC-VYLZPFMQSA-N 1 0 302.809 3.404 10 0 DGAERO CCN1CC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000712585000 1085761125 /nfs/dbraw/zinc/76/11/25/1085761125.db2.gz DCZZZFNXIIGGBU-IBGZPJMESA-N 1 0 310.441 3.449 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)OC1 ZINC000713601993 1086540766 /nfs/dbraw/zinc/54/07/66/1086540766.db2.gz RFPXKEBHVJEHDI-LJQANCHMSA-N 1 0 316.489 3.446 10 0 DGAERO FC1(F)[C@@H]2C[C@@H]([NH2+]Cc3ncc(Br)s3)C[C@@H]21 ZINC000713652217 1086549796 /nfs/dbraw/zinc/54/97/96/1086549796.db2.gz XTHJGGNAMLBILE-POBXSPIYSA-N 1 0 309.179 3.039 10 0 DGAERO C[C@H](Cc1cccs1)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000251703397 1090214473 /nfs/dbraw/zinc/21/44/73/1090214473.db2.gz OFAJORVNNCKAMI-CLWVCHIJSA-N 1 0 306.475 3.106 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000401666831 1093963483 /nfs/dbraw/zinc/96/34/83/1093963483.db2.gz IHGZTUJPQSKATL-KKUMJFAQSA-N 1 0 319.449 3.378 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000401671693 1093963494 /nfs/dbraw/zinc/96/34/94/1093963494.db2.gz ZVYGQHZLDSKVIH-PKOBYXMFSA-N 1 0 324.472 3.289 10 0 DGAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000401688539 1093965271 /nfs/dbraw/zinc/96/52/71/1093965271.db2.gz YXGIHJNYXIZMTE-FMKPAKJESA-N 1 0 319.449 3.378 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000401724859 1093968718 /nfs/dbraw/zinc/96/87/18/1093968718.db2.gz PRWMWOIWTVODCC-NWDGAFQWSA-N 1 0 306.397 3.267 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401750902 1093969919 /nfs/dbraw/zinc/96/99/19/1093969919.db2.gz XTRYLJSSKPLYEK-MGPQQGTHSA-N 1 0 314.495 3.117 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000403776519 1094181082 /nfs/dbraw/zinc/18/10/82/1094181082.db2.gz ZYSJEDAOTRIVCM-CSNJMZFVSA-N 1 0 302.487 3.277 10 0 DGAERO C[C@@]1(CNCc2ccns2)CC[N@H+](Cc2ccccc2)C1 ZINC000404428186 1094256924 /nfs/dbraw/zinc/25/69/24/1094256924.db2.gz JYEOTSSSMJDSGU-KRWDZBQOSA-N 1 0 301.459 3.145 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC000404482324 1094259896 /nfs/dbraw/zinc/25/98/96/1094259896.db2.gz XTBYKLFKFLFOHV-HAQNSBGRSA-N 1 0 311.451 3.069 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)CS1 ZINC000404702414 1094266474 /nfs/dbraw/zinc/26/64/74/1094266474.db2.gz ZKKOPICQJXHXKI-OLZOCXBDSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)CS1 ZINC000404702416 1094266883 /nfs/dbraw/zinc/26/68/83/1094266883.db2.gz ZKKOPICQJXHXKI-QWHCGFSZSA-N 1 0 314.495 3.165 10 0 DGAERO COc1cccc2c1CC[C@@H]([NH2+][C@H](c1nc(C)no1)C(C)C)C2 ZINC000192442573 1095051768 /nfs/dbraw/zinc/05/17/68/1095051768.db2.gz SFJNYMXYWPEIJQ-PBHICJAKSA-N 1 0 315.417 3.231 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000194286706 1095137813 /nfs/dbraw/zinc/13/78/13/1095137813.db2.gz IPEFDAFHBAXBCG-CYBMUJFWSA-N 1 0 300.406 3.021 10 0 DGAERO CC[C@H](CC1CCCCC1)[NH2+]CC1(S(=O)(=O)CC)CC1 ZINC000720960242 1096267508 /nfs/dbraw/zinc/26/75/08/1096267508.db2.gz KMOKEQIFPVTJEV-OAHLLOKOSA-N 1 0 301.496 3.292 10 0 DGAERO O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)NCC1CCCCC1 ZINC000192355148 1096491073 /nfs/dbraw/zinc/49/10/73/1096491073.db2.gz JMGBUGWCRAQUQT-KRWDZBQOSA-N 1 0 316.445 3.056 10 0 DGAERO CCC[NH2+][C@H](C)CCNC(=O)c1cc(F)c(F)cc1Cl ZINC000721687686 1097840822 /nfs/dbraw/zinc/84/08/22/1097840822.db2.gz VNFIKZFQTYOIQP-SECBINFHSA-N 1 0 304.768 3.126 10 0 DGAERO COc1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000721884846 1098123974 /nfs/dbraw/zinc/12/39/74/1098123974.db2.gz VXAGFIMTCHIXRN-CZUORRHYSA-N 1 0 320.433 3.040 10 0 DGAERO Cc1nc(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC000080234627 1101232017 /nfs/dbraw/zinc/23/20/17/1101232017.db2.gz DOTWBGSAHOWPCY-CQSZACIVSA-N 1 0 303.475 3.452 10 0 DGAERO C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000718030944 1104486561 /nfs/dbraw/zinc/48/65/61/1104486561.db2.gz GCQVQKBQYRUJCH-DBVUQKKJSA-N 1 0 316.489 3.444 10 0 DGAERO Cc1ccc(C[NH2+]CC(C)(C)CO)c(C)c1Br ZINC000719525653 1104941440 /nfs/dbraw/zinc/94/14/40/1104941440.db2.gz SMHZTGOWUBRMOO-UHFFFAOYSA-N 1 0 300.240 3.174 10 0 DGAERO C[C@H]1[C@H]([NH2+]C2CC(c3ccccc3Br)C2)CCN1C ZINC000719571064 1104951140 /nfs/dbraw/zinc/95/11/40/1104951140.db2.gz QYMXATRFAKZQGB-PIISCBOPSA-N 1 0 323.278 3.377 10 0 DGAERO CC[C@@H]([NH2+]Cc1sncc1Br)[C@@H]1CCCOC1 ZINC000723959153 1106492417 /nfs/dbraw/zinc/49/24/17/1106492417.db2.gz OJHGAKHEVMGIOC-MWLCHTKSSA-N 1 0 319.268 3.200 10 0 DGAERO Cc1c2cccc(C)c2oc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604088 432002273 /nfs/dbraw/zinc/00/22/73/432002273.db2.gz XHYGHXBKNZFSMS-UHFFFAOYSA-N 1 0 312.413 3.360 10 0 DGAERO C[NH2+][C@H](C)c1csc(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000076784836 185041370 /nfs/dbraw/zinc/04/13/70/185041370.db2.gz CJLWLTVMIHLPCQ-SECBINFHSA-N 1 0 308.403 3.116 10 0 DGAERO COc1ccccc1[C@H](C)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000103074753 432002855 /nfs/dbraw/zinc/00/28/55/432002855.db2.gz QVXREUCGAWGMHR-CVEARBPZSA-N 1 0 320.477 3.281 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000304562355 230931117 /nfs/dbraw/zinc/93/11/17/230931117.db2.gz GYVJHXSMMDLXFL-GXSJLCMTSA-N 1 0 304.253 3.151 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278629663 214289178 /nfs/dbraw/zinc/28/91/78/214289178.db2.gz XVIPDXPAXPLPAH-WYMLVPIESA-N 1 0 316.420 3.220 10 0 DGAERO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000079121435 185159679 /nfs/dbraw/zinc/15/96/79/185159679.db2.gz LBLUWCLDULJCEZ-LBPRGKRZSA-N 1 0 316.376 3.045 10 0 DGAERO CCCc1nc(Cc2ccc(OC)c(OC)c2)sc1C[NH3+] ZINC000082426943 185180931 /nfs/dbraw/zinc/18/09/31/185180931.db2.gz DBMBCYFHTRAIQP-UHFFFAOYSA-N 1 0 306.431 3.162 10 0 DGAERO [NH3+]CCCN(Cc1ccccc1)C(=O)c1nccc2ccccc21 ZINC000310031108 231108993 /nfs/dbraw/zinc/10/89/93/231108993.db2.gz RMDODQVAECDNDN-UHFFFAOYSA-N 1 0 319.408 3.226 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000310754366 231114281 /nfs/dbraw/zinc/11/42/81/231114281.db2.gz WNHUBKARYAQSOQ-RYUDHWBXSA-N 1 0 316.214 3.229 10 0 DGAERO O[C@@H](CC1CCCC1)C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000323301034 231216109 /nfs/dbraw/zinc/21/61/09/231216109.db2.gz BVPHXTHWNQKFEG-FQEVSTJZSA-N 1 0 316.489 3.136 10 0 DGAERO COc1cc([C@@H]([NH3+])C2CCC2)c(OC)cc1Br ZINC000083256656 185221881 /nfs/dbraw/zinc/22/18/81/185221881.db2.gz FQZBIKWUPUCRBN-ZDUSSCGKSA-N 1 0 300.196 3.266 10 0 DGAERO Cc1cnn(CC[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)c1 ZINC000328912171 231383730 /nfs/dbraw/zinc/38/37/30/231383730.db2.gz OUYHOHBASQXJCV-GOSISDBHSA-N 1 0 324.428 3.289 10 0 DGAERO CCCCc1nc(Cl)c(C[NH2+]CCc2ccc(O)cc2)[nH]1 ZINC000088399068 185248556 /nfs/dbraw/zinc/24/85/56/185248556.db2.gz JPUXPWUDKXVHAL-UHFFFAOYSA-N 1 0 307.825 3.444 10 0 DGAERO CCN(C(=O)c1ccccc1OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000096940023 185393240 /nfs/dbraw/zinc/39/32/40/185393240.db2.gz UQMZCZMXXDZCPW-KRWDZBQOSA-N 1 0 324.424 3.090 10 0 DGAERO C[C@@H]([NH2+]CC1(C)CCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000090220002 185287120 /nfs/dbraw/zinc/28/71/20/185287120.db2.gz JVQDOYXKDKRCHW-CQSZACIVSA-N 1 0 322.474 3.067 10 0 DGAERO CN(C)C(=O)C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000090511407 185299699 /nfs/dbraw/zinc/29/96/99/185299699.db2.gz VCRRUUBDPFQNMA-UHFFFAOYSA-N 1 0 320.502 3.110 10 0 DGAERO CCC[N@@H+]1CCC[C@@H](C(=O)Nn2ccc3cc(Cl)ccc32)C1 ZINC000090448547 185297048 /nfs/dbraw/zinc/29/70/48/185297048.db2.gz WQYDKEKGELTOCN-CQSZACIVSA-N 1 0 319.836 3.487 10 0 DGAERO Cc1nn(C)cc1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000092405700 185316587 /nfs/dbraw/zinc/31/65/87/185316587.db2.gz VVHVAJBKEIUZMY-UHFFFAOYSA-N 1 0 324.472 3.003 10 0 DGAERO CC(C)(C)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000092533943 185324545 /nfs/dbraw/zinc/32/45/45/185324545.db2.gz ZZBFHIKDQYFBRY-UHFFFAOYSA-N 1 0 300.446 3.334 10 0 DGAERO CCCCOc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000092647988 185331381 /nfs/dbraw/zinc/33/13/81/185331381.db2.gz XLYJGEBFVJTYEY-UHFFFAOYSA-N 1 0 314.433 3.294 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000172591349 299093673 /nfs/dbraw/zinc/09/36/73/299093673.db2.gz MQJHRGLJKTZPMO-DOTOQJQBSA-N 1 0 307.482 3.225 10 0 DGAERO CCCOc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)ccc1OC ZINC000092616170 185329145 /nfs/dbraw/zinc/32/91/45/185329145.db2.gz KJEZIRBYWHAJOB-QGZVFWFLSA-N 1 0 318.461 3.154 10 0 DGAERO Cc1ccsc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000092754950 185338240 /nfs/dbraw/zinc/33/82/40/185338240.db2.gz ONBQWSNDQJEFIW-CQSZACIVSA-N 1 0 308.491 3.429 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(F)c(C)c3)C2)no1 ZINC000092813974 185343402 /nfs/dbraw/zinc/34/34/02/185343402.db2.gz YXYXNRFXBNTWBL-AWEZNQCLSA-N 1 0 303.381 3.280 10 0 DGAERO CCOc1cccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000092813674 185343502 /nfs/dbraw/zinc/34/35/02/185343502.db2.gz UZIGGZNOAKXRHS-MRXNPFEDSA-N 1 0 315.417 3.231 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3ccc(COC)cc3)CC2)cn1 ZINC000092809212 185342830 /nfs/dbraw/zinc/34/28/30/185342830.db2.gz CVLMHDIOKIPYFL-UHFFFAOYSA-N 1 0 313.445 3.429 10 0 DGAERO CN(C)C(=O)C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000181507896 199307726 /nfs/dbraw/zinc/30/77/26/199307726.db2.gz QJNQKLZSOZNTQA-UHFFFAOYSA-N 1 0 308.853 3.073 10 0 DGAERO Cc1nn(C)c2ncc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)cc12 ZINC000186166111 282289058 /nfs/dbraw/zinc/28/90/58/282289058.db2.gz OWEOEJDTOAMMCC-UHFFFAOYSA-N 1 0 318.424 3.324 10 0 DGAERO [NH3+][C@H]1CC[C@H](c2nc(-c3cc(Br)cs3)no2)C1 ZINC000097068429 185405796 /nfs/dbraw/zinc/40/57/96/185405796.db2.gz GXLCEZUFESGPTD-XPUUQOCRSA-N 1 0 314.208 3.155 10 0 DGAERO C[N@H+](CCCO)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000442967550 529893776 /nfs/dbraw/zinc/89/37/76/529893776.db2.gz PAMPRRSHIHDAEQ-UHFFFAOYSA-N 1 0 313.445 3.039 10 0 DGAERO C[N@H+](CCOCc1ccccc1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435127284 529924268 /nfs/dbraw/zinc/92/42/68/529924268.db2.gz BFSRFZYGKRNTBH-UHFFFAOYSA-N 1 0 311.385 3.318 10 0 DGAERO CC[C@@H]([NH3+])Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000037725085 190665313 /nfs/dbraw/zinc/66/53/13/190665313.db2.gz KJHLWKJHIFFGRX-MRVPVSSYSA-N 1 0 324.165 3.339 10 0 DGAERO C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000103298197 185445371 /nfs/dbraw/zinc/44/53/71/185445371.db2.gz RGRJWTDWWQVFBT-CYBMUJFWSA-N 1 0 323.868 3.432 10 0 DGAERO C[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)C(C1CC1)C1CC1 ZINC000065243054 432010830 /nfs/dbraw/zinc/01/08/30/432010830.db2.gz HNDINCNVHGIXOG-KRWDZBQOSA-N 1 0 323.864 3.338 10 0 DGAERO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@H](CCO)c1ccccc1 ZINC000435124304 529982434 /nfs/dbraw/zinc/98/24/34/529982434.db2.gz NZGBIHATEUIJAL-QGZVFWFLSA-N 1 0 311.385 3.225 10 0 DGAERO C[C@@H]([NH2+]Cc1cnc(Cl)s1)c1ccc2c(c1)OCCO2 ZINC000181758123 199348162 /nfs/dbraw/zinc/34/81/62/199348162.db2.gz NQWQXJSTEUWOHI-SECBINFHSA-N 1 0 310.806 3.419 10 0 DGAERO CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109124616 185553048 /nfs/dbraw/zinc/55/30/48/185553048.db2.gz ZDWVXXNKVQKDCI-CABCVRRESA-N 1 0 324.415 3.115 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000083428640 192370807 /nfs/dbraw/zinc/37/08/07/192370807.db2.gz RGFPUQQVPKFOKV-NSHDSACASA-N 1 0 320.311 3.110 10 0 DGAERO Cc1cc(Cl)ccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130243196 432019006 /nfs/dbraw/zinc/01/90/06/432019006.db2.gz UGOLSJGYNHFENX-UHFFFAOYSA-N 1 0 308.853 3.499 10 0 DGAERO Cc1cc(CN2CC[NH+](Cc3c(C)cc(C)cc3C)CC2)on1 ZINC000121513409 185811734 /nfs/dbraw/zinc/81/17/34/185811734.db2.gz HRCNPKQWGRHFPP-UHFFFAOYSA-N 1 0 313.445 3.226 10 0 DGAERO C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000130259742 432019315 /nfs/dbraw/zinc/01/93/15/432019315.db2.gz VVASJZWJVVKFFH-CYDGBPFRSA-N 1 0 310.388 3.403 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000277542945 213606007 /nfs/dbraw/zinc/60/60/07/213606007.db2.gz XAHMHRJGBRERFF-GOSISDBHSA-N 1 0 310.445 3.183 10 0 DGAERO CCc1cnc(CC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000130310588 432020778 /nfs/dbraw/zinc/02/07/78/432020778.db2.gz VNAOVZAXZNDDMS-LAJNKCICSA-N 1 0 322.499 3.336 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](CCOc3ccccc3F)C2)c1 ZINC000106224722 432020870 /nfs/dbraw/zinc/02/08/70/432020870.db2.gz UCTTVMZOMSLSNW-OAHLLOKOSA-N 1 0 303.381 3.047 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(F)c2Cl)[C@H](C)C1 ZINC000080448666 192158859 /nfs/dbraw/zinc/15/88/59/192158859.db2.gz WEKHLOPEALKZPR-RISCZKNCSA-N 1 0 312.816 3.281 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Br)c1 ZINC000083552900 192372129 /nfs/dbraw/zinc/37/21/29/192372129.db2.gz JXPYNDXZKYTPDF-SWLSCSKDSA-N 1 0 309.251 3.118 10 0 DGAERO C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000130107450 185936868 /nfs/dbraw/zinc/93/68/68/185936868.db2.gz CAWIBFGUFLSTMA-BLLLJJGKSA-N 1 0 302.805 3.292 10 0 DGAERO C[NH+](C)CCN(Cc1cccs1)C(=O)NC1CCCCC1 ZINC000083992249 192393922 /nfs/dbraw/zinc/39/39/22/192393922.db2.gz KXEHIJLTYWKVAN-UHFFFAOYSA-N 1 0 309.479 3.154 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1Cc1ccccc1Cl ZINC000071668865 191001197 /nfs/dbraw/zinc/00/11/97/191001197.db2.gz JXXQYZDCYXJQEJ-ZDUSSCGKSA-N 1 0 310.825 3.091 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000149363956 186049683 /nfs/dbraw/zinc/04/96/83/186049683.db2.gz INKZQSKFRBKBDT-JPUFDJIESA-N 1 0 310.235 3.462 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000171071618 197874490 /nfs/dbraw/zinc/87/44/90/197874490.db2.gz VFYVZOQOQSLRDE-QGZVFWFLSA-N 1 0 321.424 3.426 10 0 DGAERO CC(C)Sc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152442015 186073377 /nfs/dbraw/zinc/07/33/77/186073377.db2.gz KAKKOLZLALXKFH-ZFWWWQNUSA-N 1 0 306.475 3.459 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(-c2ccncc2)c1 ZINC000152505778 186079891 /nfs/dbraw/zinc/07/98/91/186079891.db2.gz YALDTGLLTJFFDH-RDTXWAMCSA-N 1 0 309.413 3.020 10 0 DGAERO O=C(CCc1cscn1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000171243239 197903671 /nfs/dbraw/zinc/90/36/71/197903671.db2.gz YLHAXYXAIFCDFA-UHFFFAOYSA-N 1 0 315.442 3.310 10 0 DGAERO Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(F)c1 ZINC000171503541 186170120 /nfs/dbraw/zinc/17/01/20/186170120.db2.gz YGSREXICCUTXPN-AWEZNQCLSA-N 1 0 305.397 3.226 10 0 DGAERO Cc1oc2ccccc2c1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000179685739 186204916 /nfs/dbraw/zinc/20/49/16/186204916.db2.gz UGZKNCXIZJCYID-UHFFFAOYSA-N 1 0 300.402 3.041 10 0 DGAERO CCCCN(C(=O)C[C@H](C[NH3+])OC)[C@H](CC)c1ccccc1 ZINC000262854466 282707669 /nfs/dbraw/zinc/70/76/69/282707669.db2.gz KKIJMCPZJLLEPD-IAGOWNOFSA-N 1 0 306.450 3.130 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000237451814 186290799 /nfs/dbraw/zinc/29/07/99/186290799.db2.gz WBTKNZOOMBNTKN-ZKYQVNSYSA-N 1 0 314.351 3.400 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000130486176 432026137 /nfs/dbraw/zinc/02/61/37/432026137.db2.gz HQGJOOVFNSAKQY-MEDUHNTESA-N 1 0 307.340 3.358 10 0 DGAERO CC(C)(C)C[N@H+](CCCO)Cc1cncc(Br)c1 ZINC000171931493 198009725 /nfs/dbraw/zinc/00/97/25/198009725.db2.gz RVTNZBNYUJSULX-UHFFFAOYSA-N 1 0 315.255 3.075 10 0 DGAERO C[C@H](C[NH+]1CCN(C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000172014181 198026059 /nfs/dbraw/zinc/02/60/59/198026059.db2.gz YTNBNLVOFLRUKI-NQIIRXRSSA-N 1 0 324.468 3.141 10 0 DGAERO C[C@@H](C[NH+]1CCN(C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000172014177 198025720 /nfs/dbraw/zinc/02/57/20/198025720.db2.gz YTNBNLVOFLRUKI-RXVVDRJESA-N 1 0 324.468 3.141 10 0 DGAERO CC[C@H](C)[C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000172143313 198046343 /nfs/dbraw/zinc/04/63/43/198046343.db2.gz QPHSLHHOSAUPTN-QWHCGFSZSA-N 1 0 309.429 3.121 10 0 DGAERO Cc1ncsc1CC[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000172531951 198110572 /nfs/dbraw/zinc/11/05/72/198110572.db2.gz UTXGPQMVKOOFNT-HNNXBMFYSA-N 1 0 316.474 3.131 10 0 DGAERO Cc1cccc([C@H](C)[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000172840695 198156747 /nfs/dbraw/zinc/15/67/47/198156747.db2.gz WPPOTDWTNUSUFI-KRWDZBQOSA-N 1 0 310.445 3.367 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC2(C3CC3)CC2)C1 ZINC000130713861 432029204 /nfs/dbraw/zinc/02/92/04/432029204.db2.gz FCXMYMNWWZHBNY-CQSZACIVSA-N 1 0 308.466 3.413 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)NCCc1cccs1 ZINC000172871739 198161153 /nfs/dbraw/zinc/16/11/53/198161153.db2.gz AQOHYMANBONVAH-RYUDHWBXSA-N 1 0 308.472 3.208 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC000173214672 198196454 /nfs/dbraw/zinc/19/64/54/198196454.db2.gz LMISUXBUVBTBJM-KEYYUXOJSA-N 1 0 306.425 3.118 10 0 DGAERO CCCC[C@H](CCC)CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000130808123 432030406 /nfs/dbraw/zinc/03/04/06/432030406.db2.gz GDMSGVMFLAMYOE-DLBZAZTESA-N 1 0 307.482 3.249 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173245536 198200356 /nfs/dbraw/zinc/20/03/56/198200356.db2.gz QJQXSBHIHRTLMF-PMPSAXMXSA-N 1 0 303.450 3.180 10 0 DGAERO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000072975439 191261594 /nfs/dbraw/zinc/26/15/94/191261594.db2.gz UNBDTAFZPYCSEF-YESZJQIVSA-N 1 0 318.461 3.001 10 0 DGAERO Cc1ccc2nc(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cn2c1 ZINC000080655732 192178117 /nfs/dbraw/zinc/17/81/17/192178117.db2.gz HVQIJROGSHOOIR-MSOLQXFVSA-N 1 0 312.461 3.090 10 0 DGAERO COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000174021175 198282216 /nfs/dbraw/zinc/28/22/16/198282216.db2.gz OGXFMAMUMIQBAS-HNNXBMFYSA-N 1 0 311.429 3.410 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000174163169 198300508 /nfs/dbraw/zinc/30/05/08/198300508.db2.gz ZMTONTIHXFBEAR-RBSFLKMASA-N 1 0 322.399 3.011 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2nc3ccccc3s2)CC[N@@H+]1C ZINC000174279838 198314541 /nfs/dbraw/zinc/31/45/41/198314541.db2.gz CZEQNXQJYOZKLN-NEPJUHHUSA-N 1 0 318.446 3.243 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccccc2Cl)CC[N@@H+]1C ZINC000174398545 198329715 /nfs/dbraw/zinc/32/97/15/198329715.db2.gz SHICATJZRIIMIN-DZGCQCFKSA-N 1 0 323.868 3.007 10 0 DGAERO Cc1ccc(CCC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000107528840 432033219 /nfs/dbraw/zinc/03/32/19/432033219.db2.gz WDPAZLMFHYHJSN-IBGZPJMESA-N 1 0 314.473 3.405 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc3cccnc32)CC[N@@H+]1C ZINC000174611264 198358883 /nfs/dbraw/zinc/35/88/83/198358883.db2.gz DVGBRILETRWIND-HIFRSBDPSA-N 1 0 312.417 3.181 10 0 DGAERO FC(F)(F)C1CCC(C[NH2+][C@H]2CCCn3ncnc32)CC1 ZINC000183728271 282906125 /nfs/dbraw/zinc/90/61/25/282906125.db2.gz DRLQLALPKXPRDL-MCIGGMRASA-N 1 0 302.344 3.071 10 0 DGAERO CC(C)[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(F)c(F)c1 ZINC000182161410 199395452 /nfs/dbraw/zinc/39/54/52/199395452.db2.gz BLWUSCCEDVRIIU-MRXNPFEDSA-N 1 0 313.388 3.041 10 0 DGAERO COc1c(C)ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000174897344 198398872 /nfs/dbraw/zinc/39/88/72/198398872.db2.gz SPSFESHPFQIGEN-HIFRSBDPSA-N 1 0 319.449 3.258 10 0 DGAERO COC(=O)c1ccc(C[NH2+]CCc2c[nH]c3cccc(C)c23)o1 ZINC000182154064 199394955 /nfs/dbraw/zinc/39/49/55/199394955.db2.gz CXCUOWKFCNUVOE-UHFFFAOYSA-N 1 0 312.369 3.188 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1csc(-c2ccccn2)n1 ZINC000175343650 198463589 /nfs/dbraw/zinc/46/35/89/198463589.db2.gz PKJBJSPJPWTCPJ-OAHLLOKOSA-N 1 0 316.474 3.121 10 0 DGAERO FC(F)(F)c1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000302765514 282930396 /nfs/dbraw/zinc/93/03/96/282930396.db2.gz LKJNWZDEOPPLBH-JTQLQIEISA-N 1 0 305.369 3.227 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000236779253 202003816 /nfs/dbraw/zinc/00/38/16/202003816.db2.gz WKZNHZGYLRHATA-UHFFFAOYSA-N 1 0 300.446 3.169 10 0 DGAERO CCC(CC)(C[NH3+])NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000236800700 202015128 /nfs/dbraw/zinc/01/51/28/202015128.db2.gz XBNRRNNNVAWHDE-UHFFFAOYSA-N 1 0 302.374 3.319 10 0 DGAERO Fc1ccc2oc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000246267346 283012190 /nfs/dbraw/zinc/01/21/90/283012190.db2.gz GYRUTZPSDHBMIQ-LRDDRELGSA-N 1 0 315.392 3.420 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000163666784 432038877 /nfs/dbraw/zinc/03/88/77/432038877.db2.gz YXPMTKRWJNCXOJ-OCCSQVGLSA-N 1 0 320.481 3.044 10 0 DGAERO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000179076063 432038985 /nfs/dbraw/zinc/03/89/85/432038985.db2.gz VSGRJEBXCDXFGS-KFKAGJAMSA-N 1 0 323.440 3.492 10 0 DGAERO Fc1cccc(N2CCCC2)c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092616240 283016298 /nfs/dbraw/zinc/01/62/98/283016298.db2.gz ZZIQUOJSZGYXOY-MRXNPFEDSA-N 1 0 317.452 3.096 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000182635588 199468372 /nfs/dbraw/zinc/46/83/72/199468372.db2.gz OMZBDWQTOBSABL-QGPMSJSTSA-N 1 0 321.486 3.443 10 0 DGAERO C[NH+](C)C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000107762361 432040622 /nfs/dbraw/zinc/04/06/22/432040622.db2.gz DFKPZGFLGMMALE-UXHICEINSA-N 1 0 322.452 3.496 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000107827227 432041910 /nfs/dbraw/zinc/04/19/10/432041910.db2.gz QFNRAKRPJDUPNQ-CVEARBPZSA-N 1 0 319.449 3.309 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCCC3(CC3)C2)[C@H]1c1ccccc1 ZINC000248684142 283048781 /nfs/dbraw/zinc/04/87/81/283048781.db2.gz GQIHYVZRXAQSER-IAGOWNOFSA-N 1 0 313.445 3.017 10 0 DGAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000107824318 432042888 /nfs/dbraw/zinc/04/28/88/432042888.db2.gz IINNYDUKLKLXPR-FUHWJXTLSA-N 1 0 315.461 3.408 10 0 DGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000246977476 283061404 /nfs/dbraw/zinc/06/14/04/283061404.db2.gz QYAPNRBHTHBECT-SZMVWBNQSA-N 1 0 306.494 3.393 10 0 DGAERO CC(C)([NH3+])C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000236818544 202025218 /nfs/dbraw/zinc/02/52/18/202025218.db2.gz GYCSFYJSIQPCQP-UHFFFAOYSA-N 1 0 309.822 3.063 10 0 DGAERO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)C2CCC2)CC1 ZINC000073619889 191332706 /nfs/dbraw/zinc/33/27/06/191332706.db2.gz FUSKSOLEQKSTEM-UHFFFAOYSA-N 1 0 315.461 3.153 10 0 DGAERO CCc1nc(-c2ccc(F)cc2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073685289 191341504 /nfs/dbraw/zinc/34/15/04/191341504.db2.gz OJJNNSUSHJMGJJ-OAHLLOKOSA-N 1 0 314.408 3.317 10 0 DGAERO CCc1nc(-c2ccccc2)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000073684729 191342056 /nfs/dbraw/zinc/34/20/56/191342056.db2.gz AHFRPHDGVODSFI-HNNXBMFYSA-N 1 0 310.445 3.426 10 0 DGAERO Clc1ccc2nc(Cl)nc(NCC3CC[NH2+]CC3)c2c1 ZINC000073735555 191349131 /nfs/dbraw/zinc/34/91/31/191349131.db2.gz NYEYGQZYRCYMFW-UHFFFAOYSA-N 1 0 311.216 3.348 10 0 DGAERO [NH3+]C1CCN(c2nc(Cl)nc3c4ccccc4sc32)CC1 ZINC000073736326 191349235 /nfs/dbraw/zinc/34/92/35/191349235.db2.gz NQYDDNQOBVLQIN-UHFFFAOYSA-N 1 0 318.833 3.425 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000132188292 432046237 /nfs/dbraw/zinc/04/62/37/432046237.db2.gz JKRGDXWIGATXCU-LPHOPBHVSA-N 1 0 314.473 3.103 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)C1 ZINC000132229002 432047886 /nfs/dbraw/zinc/04/78/86/432047886.db2.gz KIYRWWMOTAFNAA-MXSMSXNCSA-N 1 0 315.461 3.118 10 0 DGAERO C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(-c3ccccc3)[nH]1)CC2 ZINC000067955777 432047892 /nfs/dbraw/zinc/04/78/92/432047892.db2.gz TZTFJVZZLMPIAR-UHFFFAOYSA-N 1 0 323.440 3.240 10 0 DGAERO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077381747 191704877 /nfs/dbraw/zinc/70/48/77/191704877.db2.gz FJXCWXDHHRWGJF-OAHLLOKOSA-N 1 0 300.358 3.357 10 0 DGAERO Cc1ccc([C@H](C)N(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000132386523 432048733 /nfs/dbraw/zinc/04/87/33/432048733.db2.gz JHEYPNUKGTZEHC-BQFCYCMXSA-N 1 0 317.477 3.426 10 0 DGAERO CC[C@@H](NC(=O)NC[C@@H](C)[NH+](CC)CC)c1ccc(OC)cc1 ZINC000077687487 191756559 /nfs/dbraw/zinc/75/65/59/191756559.db2.gz HKMAHAAZSBCCHP-RHSMWYFYSA-N 1 0 321.465 3.176 10 0 DGAERO CC(C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179208631 432050496 /nfs/dbraw/zinc/05/04/96/432050496.db2.gz HEMOSVQXVVAIJV-USXIJHARSA-N 1 0 303.450 3.166 10 0 DGAERO c1ncn([C@H]2CCC[N@@H+](CCCSCc3ccccc3)C2)n1 ZINC000179211823 432050823 /nfs/dbraw/zinc/05/08/23/432050823.db2.gz WJZARMJVBFPYTD-KRWDZBQOSA-N 1 0 316.474 3.239 10 0 DGAERO CNC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1C ZINC000005353483 181233791 /nfs/dbraw/zinc/23/37/91/181233791.db2.gz SVSUPXMIMOXSHZ-UHFFFAOYSA-O 1 0 303.385 3.205 10 0 DGAERO CC(C)Sc1ccc([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000165354049 432055298 /nfs/dbraw/zinc/05/52/98/432055298.db2.gz YFNZOVZQUYHGHI-CYBMUJFWSA-N 1 0 321.490 3.381 10 0 DGAERO CCOC[C@@H]1CC[N@H+](Cc2nc3cc(F)ccc3n2CC)C1 ZINC000081520952 192281546 /nfs/dbraw/zinc/28/15/46/192281546.db2.gz PTQYJQOCVOGFCM-CYBMUJFWSA-N 1 0 305.397 3.054 10 0 DGAERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000179452446 432058877 /nfs/dbraw/zinc/05/88/77/432058877.db2.gz NMGFQZCOQYKBRZ-WMLDXEAASA-N 1 0 306.450 3.381 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C/C=C/c1ccc(F)cc1 ZINC000081543464 192287884 /nfs/dbraw/zinc/28/78/84/192287884.db2.gz XQDYEVKCULVNPP-DRDHIDPGSA-N 1 0 304.409 3.220 10 0 DGAERO CCN(CC(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179472559 432059459 /nfs/dbraw/zinc/05/94/59/432059459.db2.gz SNTDHLXWPSGFDT-IAGOWNOFSA-N 1 0 303.450 3.119 10 0 DGAERO CCc1ccc([C@@H](C)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000236958831 202093698 /nfs/dbraw/zinc/09/36/98/202093698.db2.gz NFTCSNAFBXDHHM-DTWYCDNDSA-N 1 0 300.446 3.094 10 0 DGAERO CCc1csc([C@@H]2CCCN(C(=O)C(CC)(CC)C[NH3+])C2)n1 ZINC000237018132 202123270 /nfs/dbraw/zinc/12/32/70/202123270.db2.gz FGCMYRWVTVSZFJ-CYBMUJFWSA-N 1 0 323.506 3.177 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1C ZINC000166486493 432061114 /nfs/dbraw/zinc/06/11/14/432061114.db2.gz QWQAKEOMAZTHGH-IRXDYDNUSA-N 1 0 312.461 3.357 10 0 DGAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1OCCc2ccccc21 ZINC000237070014 202142652 /nfs/dbraw/zinc/14/26/52/202142652.db2.gz JDXMOLBWFOTWPD-GOSISDBHSA-N 1 0 310.397 3.049 10 0 DGAERO CC[C@H]1CCc2nc(NC(=O)c3ccc(C[NH3+])cc3)sc2C1 ZINC000237079664 202146359 /nfs/dbraw/zinc/14/63/59/202146359.db2.gz DNXZWTINVWQBDO-NSHDSACASA-N 1 0 315.442 3.369 10 0 DGAERO CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237097059 202153289 /nfs/dbraw/zinc/15/32/89/202153289.db2.gz UTMWVUGXJKADPU-DZGCQCFKSA-N 1 0 324.852 3.085 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2cc(C(C)C)nc3ccccc32)CC1 ZINC000237135869 202164371 /nfs/dbraw/zinc/16/43/71/202164371.db2.gz ZECGRLJCFJOMLT-UHFFFAOYSA-N 1 0 311.429 3.182 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000179540207 432061944 /nfs/dbraw/zinc/06/19/44/432061944.db2.gz XHMDBKWBVVWHPO-QGZVFWFLSA-N 1 0 309.417 3.250 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)s1 ZINC000166640741 432062325 /nfs/dbraw/zinc/06/23/25/432062325.db2.gz WLDIDDOLDOZIBG-ZIAGYGMSSA-N 1 0 318.490 3.364 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000133403754 432062960 /nfs/dbraw/zinc/06/29/60/432062960.db2.gz WKRQRFKSBRFCJF-DZGCQCFKSA-N 1 0 311.429 3.093 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000237184276 202181194 /nfs/dbraw/zinc/18/11/94/202181194.db2.gz MLKXLEDOUQVLTN-UONOGXRCSA-N 1 0 304.434 3.358 10 0 DGAERO CN(C(=O)C[C@H]1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237211731 202190356 /nfs/dbraw/zinc/19/03/56/202190356.db2.gz YGJVHJCIKAEPKP-HRBLRVMOSA-N 1 0 312.457 3.238 10 0 DGAERO COCCOc1ccccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179622937 432064863 /nfs/dbraw/zinc/06/48/63/432064863.db2.gz HCJRQRGXFGJCQY-CQSZACIVSA-N 1 0 317.351 3.486 10 0 DGAERO CCOc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2)cc1 ZINC000178023944 198805659 /nfs/dbraw/zinc/80/56/59/198805659.db2.gz DUBZSKWCQXPVEF-HNNXBMFYSA-N 1 0 312.413 3.166 10 0 DGAERO c1csc(Cn2cccc2CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000179728179 432069522 /nfs/dbraw/zinc/06/95/22/432069522.db2.gz NQPJPDOJSOALNQ-UHFFFAOYSA-N 1 0 315.486 3.268 10 0 DGAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)CN(C)C ZINC000168722050 432070201 /nfs/dbraw/zinc/07/02/01/432070201.db2.gz IBRIVUOXAVZJNX-STQMWFEESA-N 1 0 300.393 3.149 10 0 DGAERO COc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1Cl ZINC000179309734 199013054 /nfs/dbraw/zinc/01/30/54/199013054.db2.gz VIMFJEMEQFRBMM-UHFFFAOYSA-N 1 0 319.836 3.457 10 0 DGAERO CCC[C@H](C(=O)N1CCC(c2cccc(OC)c2)CC1)[NH+](C)C ZINC000179745717 199075562 /nfs/dbraw/zinc/07/55/62/199075562.db2.gz VGKCTLVUEJEYRG-GOSISDBHSA-N 1 0 318.461 3.132 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000184985431 199791594 /nfs/dbraw/zinc/79/15/94/199791594.db2.gz CUSSNDOHSYUQQP-ZWKOTPCHSA-N 1 0 300.446 3.191 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C)c2F)[C@H](C)C1 ZINC000179996231 199104137 /nfs/dbraw/zinc/10/41/37/199104137.db2.gz NSHVUKQUVYHVFK-UKRRQHHQSA-N 1 0 307.413 3.328 10 0 DGAERO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000180090798 199115312 /nfs/dbraw/zinc/11/53/12/199115312.db2.gz HTQYBESFLGQICD-NUEKZKHPSA-N 1 0 324.490 3.199 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H]1c1ccccc1 ZINC000180139622 199122025 /nfs/dbraw/zinc/12/20/25/199122025.db2.gz QQKIOHTZZKOGAZ-MJGOQNOKSA-N 1 0 319.408 3.343 10 0 DGAERO CC[C@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C(N)=O ZINC000180067773 199114345 /nfs/dbraw/zinc/11/43/45/199114345.db2.gz RTADGGCKASVJTN-STQMWFEESA-N 1 0 300.324 3.010 10 0 DGAERO OCC1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCOCC1 ZINC000180198577 199129277 /nfs/dbraw/zinc/12/92/77/199129277.db2.gz UZVCNPZNYQRWTI-MRXNPFEDSA-N 1 0 309.837 3.170 10 0 DGAERO Cc1cc(F)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180168447 199126019 /nfs/dbraw/zinc/12/60/19/199126019.db2.gz GSFSAQRCNCOEBB-QZTJIDSGSA-N 1 0 312.388 3.309 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000185195986 199822894 /nfs/dbraw/zinc/82/28/94/199822894.db2.gz WIOCXJAOXQOWDM-SJORKVTESA-N 1 0 320.502 3.368 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCO2)cc1NC(C)=O ZINC000180267031 199138613 /nfs/dbraw/zinc/13/86/13/199138613.db2.gz ZASYPCWVXQNOHI-CJNGLKHVSA-N 1 0 320.433 3.263 10 0 DGAERO C[C@@H](NC(=O)Nc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180303067 199143662 /nfs/dbraw/zinc/14/36/62/199143662.db2.gz RVWSQXDDDKDXMU-CABCVRRESA-N 1 0 301.434 3.461 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000237290546 202218031 /nfs/dbraw/zinc/21/80/31/202218031.db2.gz DFWUVMWSOUUFOI-SFHVURJKSA-N 1 0 310.397 3.131 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(Cl)nc1)CC2 ZINC000180520936 199170823 /nfs/dbraw/zinc/17/08/23/199170823.db2.gz BYAWMDDCBTYZTQ-DGCLKSJQSA-N 1 0 319.840 3.116 10 0 DGAERO CCCn1nc(C)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1C ZINC000179959296 432075591 /nfs/dbraw/zinc/07/55/91/432075591.db2.gz WHEYDQKQAOSXFB-OAHLLOKOSA-N 1 0 321.465 3.074 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180574807 199178850 /nfs/dbraw/zinc/17/88/50/199178850.db2.gz SEKMOPOPSZAMKI-CYBMUJFWSA-N 1 0 320.330 3.324 10 0 DGAERO CCCc1csc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)n1 ZINC000180689847 199197599 /nfs/dbraw/zinc/19/75/99/199197599.db2.gz XRKUEQNNSWDUOU-JSGCOSHPSA-N 1 0 324.494 3.290 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000180044965 432077656 /nfs/dbraw/zinc/07/76/56/432077656.db2.gz LERWZXXNXVHPIX-FQEVSTJZSA-N 1 0 320.440 3.354 10 0 DGAERO Cc1nnc([C@@H]2CN(Cc3ccc(C(C)(C)C)s3)CCO2)[nH]1 ZINC000180114068 432078459 /nfs/dbraw/zinc/07/84/59/432078459.db2.gz MWUOEGMYTCMFAY-ZDUSSCGKSA-N 1 0 320.462 3.046 10 0 DGAERO CC(C)[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1Cl ZINC000180167514 432079961 /nfs/dbraw/zinc/07/99/61/432079961.db2.gz LASGDMGVVCJHEF-MLGOLLRUSA-N 1 0 304.825 3.233 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C12CCOCC2 ZINC000185654415 199874229 /nfs/dbraw/zinc/87/42/29/199874229.db2.gz JUGRQIAEKKGWDA-MSOLQXFVSA-N 1 0 303.446 3.367 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2C)C12CCOCC2 ZINC000185657506 199874426 /nfs/dbraw/zinc/87/44/26/199874426.db2.gz MXBDWQDFWNATPJ-QZTJIDSGSA-N 1 0 303.446 3.367 10 0 DGAERO C[C@](O)(C[NH+]1CCC(OC2CCCC2)CC1)c1ccccc1 ZINC000170777499 432080933 /nfs/dbraw/zinc/08/09/33/432080933.db2.gz PAMFTUHCURIEHL-IBGZPJMESA-N 1 0 303.446 3.318 10 0 DGAERO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@@H]1COc2ccccc21 ZINC000185610635 299288605 /nfs/dbraw/zinc/28/86/05/299288605.db2.gz MASCIWSDEYABDU-ZFWWWQNUSA-N 1 0 305.418 3.263 10 0 DGAERO C/C(=C\C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000170812204 432082599 /nfs/dbraw/zinc/08/25/99/432082599.db2.gz GAKRHDOJTAGBGM-BMRADRMJSA-N 1 0 312.457 3.424 10 0 DGAERO C[C@H](NC(=O)NC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180299573 432083608 /nfs/dbraw/zinc/08/36/08/432083608.db2.gz PFFNEYBOERYBRJ-GJZGRUSLSA-N 1 0 307.482 3.271 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCCc1csc2ccccc12 ZINC000186787892 200010153 /nfs/dbraw/zinc/01/01/53/200010153.db2.gz UWSRJBYUNWNDPA-BBRMVZONSA-N 1 0 316.470 3.338 10 0 DGAERO COc1cc(C)c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000186758325 200005655 /nfs/dbraw/zinc/00/56/55/200005655.db2.gz VGABQSZBTNLNBN-OLZOCXBDSA-N 1 0 323.412 3.089 10 0 DGAERO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186769289 200006942 /nfs/dbraw/zinc/00/69/42/200006942.db2.gz AKFVCWSQTYVFPD-CABCVRRESA-N 1 0 318.461 3.231 10 0 DGAERO COc1ccc(-c2ccncc2)cc1C[N@H+](C)C[C@H]1CCCO1 ZINC000186877481 200026132 /nfs/dbraw/zinc/02/61/32/200026132.db2.gz YFHDDBIXAQCSIO-GOSISDBHSA-N 1 0 312.413 3.368 10 0 DGAERO Cc1ccc(-c2ccsc2C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000186880368 200026551 /nfs/dbraw/zinc/02/65/51/200026551.db2.gz OZYACCMTWRCZRK-XJKSGUPXSA-N 1 0 314.454 3.451 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000170858633 432084763 /nfs/dbraw/zinc/08/47/63/432084763.db2.gz DKTIEYTVCVWUKZ-MRXNPFEDSA-N 1 0 309.413 3.206 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000170863680 432084800 /nfs/dbraw/zinc/08/48/00/432084800.db2.gz SPURHWUXSCESIL-MRXNPFEDSA-N 1 0 310.397 3.255 10 0 DGAERO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000187564998 200128429 /nfs/dbraw/zinc/12/84/29/200128429.db2.gz DTEFKIDFOZDPNN-KBXCAEBGSA-N 1 0 315.417 3.282 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000170856157 432084907 /nfs/dbraw/zinc/08/49/07/432084907.db2.gz NDPHINKZGVKURX-SFHVURJKSA-N 1 0 308.425 3.054 10 0 DGAERO C[C@H]1CCN(C(=O)c2coc(C[NH3+])c2)[C@@H]1c1cccc(F)c1 ZINC000187928911 200178335 /nfs/dbraw/zinc/17/83/35/200178335.db2.gz BXFKSIWQXKKDOE-ZBEGNZNMSA-N 1 0 302.349 3.101 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2csc(-c3ccccn3)n2)C1 ZINC000187932873 200179394 /nfs/dbraw/zinc/17/93/94/200179394.db2.gz AGDCTDZTAAMPRT-GUYCJALGSA-N 1 0 317.458 3.188 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2coc(-c3ccccc3)n2)C1 ZINC000187948451 200181399 /nfs/dbraw/zinc/18/13/99/200181399.db2.gz SMUWCVUWJRNLFD-RDTXWAMCSA-N 1 0 300.402 3.325 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000187891887 200172717 /nfs/dbraw/zinc/17/27/17/200172717.db2.gz MIHGECBXDQPNGP-PKOBYXMFSA-N 1 0 324.472 3.490 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2csc(-c3ccco3)n2)C1 ZINC000187903999 200173767 /nfs/dbraw/zinc/17/37/67/200173767.db2.gz UKFWCLOJIFVMRO-BLLLJJGKSA-N 1 0 306.431 3.386 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2nccnc2C)cc1OC ZINC000187982101 200186330 /nfs/dbraw/zinc/18/63/30/200186330.db2.gz KQCKTNYIORKGEO-GXTWGEPZSA-N 1 0 315.417 3.084 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1c1ccsc1 ZINC000188058490 200187447 /nfs/dbraw/zinc/18/74/47/200187447.db2.gz BXQACIHSOQABMU-STQMWFEESA-N 1 0 309.381 3.234 10 0 DGAERO OC[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1c1ccsc1 ZINC000188060241 200188069 /nfs/dbraw/zinc/18/80/69/200188069.db2.gz BGNJWQGHGIEOEA-WMZOPIPTSA-N 1 0 317.454 3.225 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)o2)[C@H](C)C1 ZINC000188075122 200189557 /nfs/dbraw/zinc/18/95/57/200189557.db2.gz ZHIFUHUIYRJCMR-DGCLKSJQSA-N 1 0 315.255 3.204 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000188095779 200193483 /nfs/dbraw/zinc/19/34/83/200193483.db2.gz IMRWHOVTYWHNJA-IAQYHMDHSA-N 1 0 304.825 3.468 10 0 DGAERO Cc1nc2cc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)ccc2o1 ZINC000237570321 202288604 /nfs/dbraw/zinc/28/86/04/202288604.db2.gz PFJLOKGMAULNCO-YPMHNXCESA-N 1 0 301.390 3.101 10 0 DGAERO CSCCCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000188254645 200216885 /nfs/dbraw/zinc/21/68/85/200216885.db2.gz QPQFCXTWPXWFLL-INIZCTEOSA-N 1 0 323.506 3.122 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)o1 ZINC000281096633 216076146 /nfs/dbraw/zinc/07/61/46/216076146.db2.gz VPRMHEHDLZHVTL-STQMWFEESA-N 1 0 308.422 3.494 10 0 DGAERO [NH3+]CC1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000237819932 202362102 /nfs/dbraw/zinc/36/21/02/202362102.db2.gz IUVVUHSAOQSPDB-UHFFFAOYSA-N 1 0 324.424 3.077 10 0 DGAERO C[C@@]1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCc2ccccc21 ZINC000188685443 200288234 /nfs/dbraw/zinc/28/82/34/200288234.db2.gz RFGMKAVQNMHMEO-OAQYLSRUSA-N 1 0 320.436 3.200 10 0 DGAERO C[C@@H]1CN(C2CC[NH+](CCc3ccccc3Cl)CC2)CCO1 ZINC000170928336 432087037 /nfs/dbraw/zinc/08/70/37/432087037.db2.gz ARGZZIKRAUSQOB-OAHLLOKOSA-N 1 0 322.880 3.068 10 0 DGAERO CSc1ccc(CNC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000170923280 432087722 /nfs/dbraw/zinc/08/77/22/432087722.db2.gz ZSFFZIVIBMRZMZ-UHFFFAOYSA-N 1 0 321.490 3.082 10 0 DGAERO COCCC1(C[NH2+]Cc2ccc(CO)c(F)c2)CCCCC1 ZINC000189078806 200345393 /nfs/dbraw/zinc/34/53/93/200345393.db2.gz MJPLMKBNAYXKEZ-UHFFFAOYSA-N 1 0 309.425 3.395 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180510744 432088353 /nfs/dbraw/zinc/08/83/53/432088353.db2.gz PTSGLBSVCWZCBI-QWHCGFSZSA-N 1 0 304.463 3.437 10 0 DGAERO CN(C)C(=O)C1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000189566720 200422631 /nfs/dbraw/zinc/42/26/31/200422631.db2.gz VXQBTTXWCVAAFQ-AZUAARDMSA-N 1 0 314.473 3.297 10 0 DGAERO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(I)cc1 ZINC000424326790 237893042 /nfs/dbraw/zinc/89/30/42/237893042.db2.gz PCBDHGBBQOFDDQ-JOYOIKCWSA-N 1 0 313.182 3.494 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000247050250 283584655 /nfs/dbraw/zinc/58/46/55/283584655.db2.gz WXBSTUIEVPZEMB-RTXFEEFZSA-N 1 0 310.850 3.121 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1c3ccccc3C[C@H]1C)CC2 ZINC000180636156 432093254 /nfs/dbraw/zinc/09/32/54/432093254.db2.gz ISHRGUAPCGMPRK-DDUZABMNSA-N 1 0 310.445 3.239 10 0 DGAERO c1c(C[NH2+]C[C@H]2CCCCN2C2CC2)[nH]nc1-c1ccccc1 ZINC000434789816 238247099 /nfs/dbraw/zinc/24/70/99/238247099.db2.gz ZYJVCFZIASBLAR-GOSISDBHSA-N 1 0 310.445 3.183 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000246091517 432093751 /nfs/dbraw/zinc/09/37/51/432093751.db2.gz VFADXAINHQECRX-XHDPSFHLSA-N 1 0 311.376 3.159 10 0 DGAERO C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000191987675 200792034 /nfs/dbraw/zinc/79/20/34/200792034.db2.gz YIXXDXNMFHLZCD-YOEHRIQHSA-N 1 0 302.418 3.036 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)c(C)cc1C)CC2 ZINC000180619460 432094014 /nfs/dbraw/zinc/09/40/14/432094014.db2.gz IRPNMOLBWNDWSE-CVEARBPZSA-N 1 0 312.461 3.431 10 0 DGAERO c1[nH]nc2cc(CNC[C@@H]3CCC[N@@H+]3C3CCCCC3)ccc12 ZINC000435744068 238345245 /nfs/dbraw/zinc/34/52/45/238345245.db2.gz CPSOMFDMUOLIDE-SFHVURJKSA-N 1 0 312.461 3.450 10 0 DGAERO CCCc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246098250 432094605 /nfs/dbraw/zinc/09/46/05/432094605.db2.gz JBKXIOIMYKKVDU-GDBMZVCRSA-N 1 0 301.434 3.340 10 0 DGAERO c1cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)n(-c2ccccc2)n1 ZINC000292837751 223268505 /nfs/dbraw/zinc/26/85/05/223268505.db2.gz RWPGEEGSZYFBJL-KRWDZBQOSA-N 1 0 311.429 3.121 10 0 DGAERO Cc1ccc(-c2csc(NC(=O)CC[C@H](C)[NH3+])n2)cc1C ZINC000193173219 201001945 /nfs/dbraw/zinc/00/19/45/201001945.db2.gz GWVBURQPCFYYGB-LBPRGKRZSA-N 1 0 303.431 3.493 10 0 DGAERO COc1ccc(N(Cc2cccs2)C(=O)CC[C@@H](C)[NH3+])cc1 ZINC000193178239 201003868 /nfs/dbraw/zinc/00/38/68/201003868.db2.gz BGGLBTFRKMBDKI-CYBMUJFWSA-N 1 0 318.442 3.417 10 0 DGAERO C[C@H]([NH3+])CCC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000193298003 201023078 /nfs/dbraw/zinc/02/30/78/201023078.db2.gz KHEPWYTWQQTICK-NSHDSACASA-N 1 0 303.337 3.079 10 0 DGAERO CC(C)Cc1ncc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000246122706 432096443 /nfs/dbraw/zinc/09/64/43/432096443.db2.gz KKOHSBQKSXBOMD-HOCLYGCPSA-N 1 0 307.507 3.258 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccccc2Cl)o1 ZINC000193602060 201084460 /nfs/dbraw/zinc/08/44/60/201084460.db2.gz AVVGWTCCNQVOKZ-UKRRQHHQSA-N 1 0 323.820 3.470 10 0 DGAERO O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000193897012 201140451 /nfs/dbraw/zinc/14/04/51/201140451.db2.gz NBFYIMKCENYJKI-RCBQFDQVSA-N 1 0 311.385 3.201 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+]CCSCc1ccccc1 ZINC000193903452 201142073 /nfs/dbraw/zinc/14/20/73/201142073.db2.gz JKKDXXPYNWIILH-QGZVFWFLSA-N 1 0 317.454 3.252 10 0 DGAERO Cc1cnn(C[C@@H]2C[N@H+](CC[C@@H](C)c3ccccc3)CCO2)c1 ZINC000193913792 201144136 /nfs/dbraw/zinc/14/41/36/201144136.db2.gz KBECAKAICOIZRQ-MJGOQNOKSA-N 1 0 313.445 3.086 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(C)c2)[C@@H](C)C1 ZINC000246116708 432097560 /nfs/dbraw/zinc/09/75/60/432097560.db2.gz YCTIADRZYOLPAY-XJKSGUPXSA-N 1 0 307.413 3.328 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000194334244 201204670 /nfs/dbraw/zinc/20/46/70/201204670.db2.gz JYOKTNJSXQFDFI-GOSISDBHSA-N 1 0 300.446 3.374 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)s1 ZINC000194339135 201206542 /nfs/dbraw/zinc/20/65/42/201206542.db2.gz SMSUWVDLMZONEB-UONOGXRCSA-N 1 0 316.474 3.420 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cnc(-c4ccco4)s3)C2)cn1 ZINC000194405840 201219672 /nfs/dbraw/zinc/21/96/72/201219672.db2.gz XVIPMFDVAJCKHF-GFCCVEGCSA-N 1 0 314.414 3.126 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)nc1C ZINC000194565967 201253215 /nfs/dbraw/zinc/25/32/15/201253215.db2.gz MOQKKHXMXADLBO-CHWSQXEVSA-N 1 0 322.840 3.134 10 0 DGAERO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246124835 432099027 /nfs/dbraw/zinc/09/90/27/432099027.db2.gz BJMMISZXRDPTGE-SJORKVTESA-N 1 0 308.853 3.198 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000245952694 202553516 /nfs/dbraw/zinc/55/35/16/202553516.db2.gz BJWSVXWSSWLCIX-WMLDXEAASA-N 1 0 319.449 3.279 10 0 DGAERO CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246165259 432101805 /nfs/dbraw/zinc/10/18/05/432101805.db2.gz KXIBGWRZNXVHPE-YVSFHVDLSA-N 1 0 309.498 3.469 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1SCCc2ccccc21 ZINC000246167616 432102710 /nfs/dbraw/zinc/10/27/10/432102710.db2.gz ISTLIOPJOSUZLQ-WMLDXEAASA-N 1 0 318.486 3.008 10 0 DGAERO COc1cc(C[NH2+]C2CCCC2)cc(Br)c1O ZINC000006627607 181363326 /nfs/dbraw/zinc/36/33/26/181363326.db2.gz HSDOSDXGGOCDCL-UHFFFAOYSA-N 1 0 300.196 3.196 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000073440704 283773316 /nfs/dbraw/zinc/77/33/16/283773316.db2.gz ONVSTTRGONUWNB-INMHGKMJSA-N 1 0 303.450 3.119 10 0 DGAERO CC[C@@H]1CCCCCN1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000074734265 283803815 /nfs/dbraw/zinc/80/38/15/283803815.db2.gz YLDZQFNQIQRHME-QGZVFWFLSA-N 1 0 309.498 3.473 10 0 DGAERO c1nc(CCc2ccccc2)sc1C[NH2+][C@@H]1CCCOC1 ZINC000449127010 240029706 /nfs/dbraw/zinc/02/97/06/240029706.db2.gz VKYRZLKRSFXBKC-OAHLLOKOSA-N 1 0 302.443 3.197 10 0 DGAERO Cc1ncc(C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)s1 ZINC000449132939 240031000 /nfs/dbraw/zinc/03/10/00/240031000.db2.gz WKQOXJOCWYZLOO-UHFFFAOYSA-N 1 0 316.405 3.281 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000449147050 240039695 /nfs/dbraw/zinc/03/96/95/240039695.db2.gz PGRSCEPNYAHREG-UHFFFAOYSA-N 1 0 315.438 3.126 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000449077880 240006703 /nfs/dbraw/zinc/00/67/03/240006703.db2.gz ZOWVDUZQVNPWHI-MRXNPFEDSA-N 1 0 321.467 3.393 10 0 DGAERO CCOC(=O)c1cc(C[NH2+][C@H]2CCCC(F)(F)C2)[nH]c1C ZINC000449189095 240059122 /nfs/dbraw/zinc/05/91/22/240059122.db2.gz OTYFZZWVEFQDOO-NSHDSACASA-N 1 0 300.349 3.167 10 0 DGAERO c1c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)oc2ncccc12 ZINC000449204752 240066285 /nfs/dbraw/zinc/06/62/85/240066285.db2.gz JJELTSJCNFDZTO-CQSZACIVSA-N 1 0 318.442 3.362 10 0 DGAERO COC[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000246179906 432104520 /nfs/dbraw/zinc/10/45/20/432104520.db2.gz USZUFBQAGYBUIH-CABCVRRESA-N 1 0 304.434 3.282 10 0 DGAERO c1cc(CNC2CC([NH+]3CCCCC3)C2)n(C2CCCC2)n1 ZINC000449298761 240117795 /nfs/dbraw/zinc/11/77/95/240117795.db2.gz KXYMKJJAHAPNNK-UHFFFAOYSA-N 1 0 302.466 3.105 10 0 DGAERO c1nc(CCc2ccccc2)sc1C[NH2+]CC[C@H]1CCOC1 ZINC000449242944 240087157 /nfs/dbraw/zinc/08/71/57/240087157.db2.gz ZVQICVZDBAPXEY-INIZCTEOSA-N 1 0 316.470 3.445 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000449248395 240089786 /nfs/dbraw/zinc/08/97/86/240089786.db2.gz JBEBHMPDSNCHFS-HNNXBMFYSA-N 1 0 321.467 3.319 10 0 DGAERO Cc1ccccc1CC[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000449378704 240166978 /nfs/dbraw/zinc/16/69/78/240166978.db2.gz FPQAOGMDYUFPEL-UHFFFAOYSA-N 1 0 306.413 3.250 10 0 DGAERO Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)sc1Br ZINC000449401917 240175936 /nfs/dbraw/zinc/17/59/36/240175936.db2.gz OSQNERBDVHCFPS-WCBMZHEXSA-N 1 0 319.268 3.119 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[NH2+]CC2=CCOCC2)c1 ZINC000449402341 240177848 /nfs/dbraw/zinc/17/78/48/240177848.db2.gz LGAVBEYQLIGDDP-UHFFFAOYSA-N 1 0 310.397 3.097 10 0 DGAERO CC(C)[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)[C@@H](CO)C(C)C ZINC000449509532 240255846 /nfs/dbraw/zinc/25/58/46/240255846.db2.gz JEBLTNNHSFHGMA-WMLDXEAASA-N 1 0 305.422 3.048 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(F)ccc1Cl ZINC000076524400 283838051 /nfs/dbraw/zinc/83/80/51/283838051.db2.gz DIQIHOAJXRVLOE-SNVBAGLBSA-N 1 0 301.793 3.331 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)o2)CN1Cc1ccccc1 ZINC000449707975 240378460 /nfs/dbraw/zinc/37/84/60/240378460.db2.gz TUZBHCALEONDHV-PBHICJAKSA-N 1 0 311.429 3.305 10 0 DGAERO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccccc2CCc2ccccc2)C1 ZINC000449712320 240378892 /nfs/dbraw/zinc/37/88/92/240378892.db2.gz REXHJXMDVGDIAZ-MJGOQNOKSA-N 1 0 322.452 3.329 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCC[C@]4(CCSC4)C3)o2)n[nH]1 ZINC000449729588 240385205 /nfs/dbraw/zinc/38/52/05/240385205.db2.gz AUWGJVDWNNCXTN-INIZCTEOSA-N 1 0 303.431 3.389 10 0 DGAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)Nc1cccc2ccccc21 ZINC000077369521 283849811 /nfs/dbraw/zinc/84/98/11/283849811.db2.gz VIZMHQXEDAAVBU-HUUCEWRRSA-N 1 0 312.413 3.278 10 0 DGAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000091373922 193048191 /nfs/dbraw/zinc/04/81/91/193048191.db2.gz LQIWYBGPAKCSBI-IAQYHMDHSA-N 1 0 315.866 3.204 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NCc2ccccc2CC)CC1 ZINC000077803654 283855908 /nfs/dbraw/zinc/85/59/08/283855908.db2.gz OWWMLFICEFPJIX-UHFFFAOYSA-N 1 0 317.477 3.170 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(F)cc2Cl)CCN1C ZINC000091675621 193088900 /nfs/dbraw/zinc/08/89/00/193088900.db2.gz LELPKPBEOFWSIA-JSGCOSHPSA-N 1 0 314.832 3.272 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1nccs1 ZINC000091736251 193098826 /nfs/dbraw/zinc/09/88/26/193098826.db2.gz WMTRVTUMEGMZCS-GHMZBOCLSA-N 1 0 308.838 3.121 10 0 DGAERO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091744667 193100372 /nfs/dbraw/zinc/10/03/72/193100372.db2.gz FAJALIBOQJQVBW-YLQAJVPDSA-N 1 0 322.836 3.068 10 0 DGAERO Fc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000091630682 193083191 /nfs/dbraw/zinc/08/31/91/193083191.db2.gz DLBSLTVOUNFYAC-ZDUSSCGKSA-N 1 0 318.371 3.271 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(-c2ccccc2)n[nH]1 ZINC000091893086 193123604 /nfs/dbraw/zinc/12/36/04/193123604.db2.gz VJZWULLPIDVRRY-MSOLQXFVSA-N 1 0 310.445 3.135 10 0 DGAERO CS[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000451321578 241080776 /nfs/dbraw/zinc/08/07/76/241080776.db2.gz CUUIQUCPMHJETG-OLZOCXBDSA-N 1 0 319.392 3.046 10 0 DGAERO C[N@@H+](Cc1ccccn1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000451367480 241099043 /nfs/dbraw/zinc/09/90/43/241099043.db2.gz LKCIJFOHZNBFRZ-OAHLLOKOSA-N 1 0 324.346 3.136 10 0 DGAERO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000189977809 432108855 /nfs/dbraw/zinc/10/88/55/432108855.db2.gz WCLMXHVIYOJSHF-ZJUUUORDSA-N 1 0 302.212 3.143 10 0 DGAERO C[C@H](CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000246225757 432109453 /nfs/dbraw/zinc/10/94/53/432109453.db2.gz FFRIJYYRCVCESA-RYRKJORJSA-N 1 0 300.446 3.265 10 0 DGAERO C[C@@H]1CN(C(=O)CC/C=C\c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000452173101 241340049 /nfs/dbraw/zinc/34/00/49/241340049.db2.gz LZEOLVRAGCOYDV-OOYWPUHTSA-N 1 0 312.457 3.423 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)CCOCC1 ZINC000453108779 241629557 /nfs/dbraw/zinc/62/95/57/241629557.db2.gz LSYWAEXBVMVRAH-ARFHVFGLSA-N 1 0 313.482 3.001 10 0 DGAERO COC1([C@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)CCOCC1 ZINC000453127520 241637571 /nfs/dbraw/zinc/63/75/71/241637571.db2.gz PFWYLTVTPZZLKF-HNNXBMFYSA-N 1 0 316.445 3.193 10 0 DGAERO CCOc1cc(C)ccc1C[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453128299 241638015 /nfs/dbraw/zinc/63/80/15/241638015.db2.gz MCDFOBXHWHMOGR-OAHLLOKOSA-N 1 0 307.434 3.067 10 0 DGAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(C)cc(OC)c1C ZINC000455286540 242157940 /nfs/dbraw/zinc/15/79/40/242157940.db2.gz UZKYMPSXVUWRIE-HNNXBMFYSA-N 1 0 319.449 3.260 10 0 DGAERO C[C@](O)(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)c1ccccc1 ZINC000171225339 432114449 /nfs/dbraw/zinc/11/44/49/432114449.db2.gz OTIMFYOEBYCOON-FQEVSTJZSA-N 1 0 309.409 3.389 10 0 DGAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000092096542 193157043 /nfs/dbraw/zinc/15/70/43/193157043.db2.gz GUEYFOUYSWSSRR-OAHLLOKOSA-N 1 0 318.417 3.265 10 0 DGAERO C[N@H+](CCCO)C1CCN(Cc2ccc(C(C)(C)C)s2)CC1 ZINC000093412886 284011744 /nfs/dbraw/zinc/01/17/44/284011744.db2.gz BQHRVCLCPRHISS-UHFFFAOYSA-N 1 0 324.534 3.324 10 0 DGAERO c1ccc(OCC2CC2)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597952 284013152 /nfs/dbraw/zinc/01/31/52/284013152.db2.gz WJBGDRNQIXUIIY-GOSISDBHSA-N 1 0 314.473 3.393 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000093639174 284013896 /nfs/dbraw/zinc/01/38/96/284013896.db2.gz BQNNHOOFBGJIBH-QAPCUYQASA-N 1 0 300.446 3.125 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc2c(c1)OCCCO2 ZINC000247079334 299383000 /nfs/dbraw/zinc/38/30/00/299383000.db2.gz NLFNAKQHTWOHJL-QMCVQRASSA-N 1 0 317.429 3.456 10 0 DGAERO CC(C)(CCCO)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000221400762 201587177 /nfs/dbraw/zinc/58/71/77/201587177.db2.gz VNAIULJBGYIPQI-UHFFFAOYSA-N 1 0 318.230 3.477 10 0 DGAERO O=C(N[C@@H]1CCCC(F)(F)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450155212 284022675 /nfs/dbraw/zinc/02/26/75/284022675.db2.gz GYQOQQKSUKJVED-UKRRQHHQSA-N 1 0 314.420 3.478 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000102693663 284023563 /nfs/dbraw/zinc/02/35/63/284023563.db2.gz QORUAVJAVMPFFJ-KRWDZBQOSA-N 1 0 306.450 3.287 10 0 DGAERO CSc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000092231793 193177256 /nfs/dbraw/zinc/17/72/56/193177256.db2.gz BZXDTRYSJVGAQE-ZBFHGGJFSA-N 1 0 304.459 3.013 10 0 DGAERO Cc1ccccc1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107827007 284057759 /nfs/dbraw/zinc/05/77/59/284057759.db2.gz MQQUIAQXISIVGJ-SFHVURJKSA-N 1 0 315.461 3.155 10 0 DGAERO O=C(NCC1CCCCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000459005340 243225837 /nfs/dbraw/zinc/22/58/37/243225837.db2.gz GIFQGMQPBCZGFI-KRWDZBQOSA-N 1 0 307.482 3.084 10 0 DGAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC(C)(C)C1 ZINC000181114035 297328093 /nfs/dbraw/zinc/32/80/93/297328093.db2.gz YFQSJDCENONGHG-QZWWFDLISA-N 1 0 306.494 3.392 10 0 DGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109124353 284065443 /nfs/dbraw/zinc/06/54/43/284065443.db2.gz HHWFEJGZRNZSLP-RRFJBIMHSA-N 1 0 322.399 3.011 10 0 DGAERO CCn1nncc1C[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000459315590 243331049 /nfs/dbraw/zinc/33/10/49/243331049.db2.gz XTAMZJGDTNWQSE-UHFFFAOYSA-N 1 0 312.461 3.451 10 0 DGAERO Cc1nc(C2(NCCn3cc(Cl)cn3)CCCCCC2)no1 ZINC000459363122 243349613 /nfs/dbraw/zinc/34/96/13/243349613.db2.gz YIQSZYSRVJOBBP-UHFFFAOYSA-N 1 0 323.828 3.067 10 0 DGAERO O[C@H]1[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)CCC12CCOCC2 ZINC000459537331 243407119 /nfs/dbraw/zinc/40/71/19/243407119.db2.gz HXJKOAZHBOGMNI-OALUTQOASA-N 1 0 315.457 3.221 10 0 DGAERO CC(C)Sc1ccccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000135411621 432117925 /nfs/dbraw/zinc/11/79/25/432117925.db2.gz WMGSYQSVJLAOHK-CYBMUJFWSA-N 1 0 307.463 3.355 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000112043375 284084178 /nfs/dbraw/zinc/08/41/78/284084178.db2.gz DJRAVSCFUQNJPW-DLBZAZTESA-N 1 0 302.462 3.103 10 0 DGAERO c1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000093011190 193193603 /nfs/dbraw/zinc/19/36/03/193193603.db2.gz NYELERCJAURJTB-QGZVFWFLSA-N 1 0 314.429 3.120 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000246312444 432118947 /nfs/dbraw/zinc/11/89/47/432118947.db2.gz DWZIMNCFGOYTIL-QMTHXVAHSA-N 1 0 313.804 3.329 10 0 DGAERO Cc1sccc1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000468547267 244053248 /nfs/dbraw/zinc/05/32/48/244053248.db2.gz HPEXWFXTNDTNQB-UHFFFAOYSA-N 1 0 308.491 3.370 10 0 DGAERO CC1(C)CCCC[C@@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000468230636 244029301 /nfs/dbraw/zinc/02/93/01/244029301.db2.gz RCEKBFKFMMFACC-GOSISDBHSA-N 1 0 314.473 3.377 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@H]2C(C)C)n1 ZINC000468977040 244077409 /nfs/dbraw/zinc/07/74/09/244077409.db2.gz MWVCQEKRDRJPCB-QWHCGFSZSA-N 1 0 310.463 3.277 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000116180740 284119995 /nfs/dbraw/zinc/11/99/95/284119995.db2.gz NEEKXZPFQOUJNG-YOEHRIQHSA-N 1 0 308.441 3.412 10 0 DGAERO COc1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000470946043 244195491 /nfs/dbraw/zinc/19/54/91/244195491.db2.gz OFPFAWBXWLMZHZ-FZMZJTMJSA-N 1 0 303.324 3.347 10 0 DGAERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000470939272 244195517 /nfs/dbraw/zinc/19/55/17/244195517.db2.gz DFVHPVFTZHDIMQ-YUELXQCFSA-N 1 0 301.352 3.253 10 0 DGAERO COC(=O)c1ccccc1CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470942424 244196984 /nfs/dbraw/zinc/19/69/84/244196984.db2.gz ALWGXGWTXIFJBP-FZMZJTMJSA-N 1 0 315.335 3.288 10 0 DGAERO COc1c(Br)cccc1C[NH2+][C@H]1CC[C@H](OC)C1 ZINC000471823770 244254558 /nfs/dbraw/zinc/25/45/58/244254558.db2.gz ZELBKSXWVAXTDT-RYUDHWBXSA-N 1 0 314.223 3.115 10 0 DGAERO CCc1nc(C)c(NC(=O)N(CC)CCC[NH+]2CCCC2)s1 ZINC000471956631 244270917 /nfs/dbraw/zinc/27/09/17/244270917.db2.gz SDQCWXQHHKHLKM-UHFFFAOYSA-N 1 0 324.494 3.354 10 0 DGAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(SC3CCCC3)cc2)O1 ZINC000262183277 203223005 /nfs/dbraw/zinc/22/30/05/203223005.db2.gz ZEKVWDHYIXTWGE-CJNGLKHVSA-N 1 0 320.458 3.166 10 0 DGAERO CC[C@@H]1CCCCCN1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000119138262 284135624 /nfs/dbraw/zinc/13/56/24/284135624.db2.gz PUFJQQBQHKGPPT-QGZVFWFLSA-N 1 0 309.498 3.471 10 0 DGAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)O2 ZINC000474069352 244365748 /nfs/dbraw/zinc/36/57/48/244365748.db2.gz XGNNSRGBEVJAMY-BSDSXHPESA-N 1 0 301.430 3.175 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2[nH]ccc2c1 ZINC000119284074 284139424 /nfs/dbraw/zinc/13/94/24/284139424.db2.gz HHABASPJDQTRTM-MRXNPFEDSA-N 1 0 314.433 3.410 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000474333594 244389973 /nfs/dbraw/zinc/38/99/73/244389973.db2.gz UQQMCRAXBQSADR-GUDVDZBRSA-N 1 0 314.473 3.388 10 0 DGAERO CC(C)c1csc([C@@H]2CCC[N@H+](CC[C@H]3CCOC3=O)C2)n1 ZINC000246327315 432120363 /nfs/dbraw/zinc/12/03/63/432120363.db2.gz DIGTVMDNBDMOJY-UONOGXRCSA-N 1 0 322.474 3.399 10 0 DGAERO CC1(C)CCCC[C@@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000119788331 284151918 /nfs/dbraw/zinc/15/19/18/284151918.db2.gz IRQLCVBQTCRQJK-OLZOCXBDSA-N 1 0 320.399 3.346 10 0 DGAERO CC1(C)CCCC[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000119788464 284151981 /nfs/dbraw/zinc/15/19/81/284151981.db2.gz IRQLCVBQTCRQJK-CHWSQXEVSA-N 1 0 320.399 3.346 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](CC3CCC(C)CC3)CC2)nn1 ZINC000093272368 193222690 /nfs/dbraw/zinc/22/26/90/193222690.db2.gz DTOOMUPOKSDRQC-UHFFFAOYSA-N 1 0 302.466 3.123 10 0 DGAERO CC1CCC(C[NH+]2CCC(N(C)c3cccnn3)CC2)CC1 ZINC000093272785 193222823 /nfs/dbraw/zinc/22/28/23/193222823.db2.gz ZFLCLNJAYPHBMZ-UHFFFAOYSA-N 1 0 302.466 3.204 10 0 DGAERO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2cncs2)CC1 ZINC000093279884 193223453 /nfs/dbraw/zinc/22/34/53/193223453.db2.gz UOVXYTQQMWSDJM-INIZCTEOSA-N 1 0 306.406 3.228 10 0 DGAERO C[N@H+](Cc1ccc(Br)c(Cl)c1)CC1(CO)CC1 ZINC000190072821 432120667 /nfs/dbraw/zinc/12/06/67/432120667.db2.gz ARDYNFJLAHLGJC-UHFFFAOYSA-N 1 0 318.642 3.307 10 0 DGAERO c1coc([C@H]2CCC[N@H+]2Cc2ccccc2N2CCOCC2)c1 ZINC000093335345 193233132 /nfs/dbraw/zinc/23/31/32/193233132.db2.gz MVMOUZNKZQGHBG-GOSISDBHSA-N 1 0 312.413 3.453 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)c(-c2ccncc2)n1 ZINC000093335363 193233903 /nfs/dbraw/zinc/23/39/03/193233903.db2.gz PIEWFXLECCPART-MRXNPFEDSA-N 1 0 308.385 3.412 10 0 DGAERO CCCn1c2ccccc2nc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644135 193279980 /nfs/dbraw/zinc/27/99/80/193279980.db2.gz QPHJIVNKGODWCW-HZPDHXFCSA-N 1 0 314.477 3.361 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000093643796 193280020 /nfs/dbraw/zinc/28/00/20/193280020.db2.gz GZFRBYJSOOXAEN-AAEUAGOBSA-N 1 0 316.367 3.342 10 0 DGAERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000093498662 193259590 /nfs/dbraw/zinc/25/95/90/193259590.db2.gz YFLMRFCYZAMYJW-KBPBESRZSA-N 1 0 321.465 3.072 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1c(Cl)nc3ccccn31)CC2 ZINC000093585160 193269647 /nfs/dbraw/zinc/26/96/47/193269647.db2.gz UAJYJRUQFPQHAF-DYVFJYSZSA-N 1 0 319.836 3.115 10 0 DGAERO CCn1cc(C[NH+]2CCC(Nc3ccccc3F)CC2)cn1 ZINC000093607876 193272926 /nfs/dbraw/zinc/27/29/26/193272926.db2.gz VBSQKFDJBBYOCH-UHFFFAOYSA-N 1 0 302.397 3.119 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000120393883 284168150 /nfs/dbraw/zinc/16/81/50/284168150.db2.gz FUVLPXIEXGRQQI-CJNGLKHVSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2cccc3c2OC(C)(C)C3)CC[N@@H+]1C ZINC000093644193 193282258 /nfs/dbraw/zinc/28/22/58/193282258.db2.gz PHNXIXBSFWRBCR-PBHICJAKSA-N 1 0 302.462 3.315 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CCN1C ZINC000093644377 193282579 /nfs/dbraw/zinc/28/25/79/193282579.db2.gz UHOACUQWNWMOFW-HIFRSBDPSA-N 1 0 316.424 3.130 10 0 DGAERO CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000481162805 244744506 /nfs/dbraw/zinc/74/45/06/244744506.db2.gz CZBHRHJJTJDVMO-RBUKOAKNSA-N 1 0 314.473 3.246 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)nc1 ZINC000094760151 193395233 /nfs/dbraw/zinc/39/52/33/193395233.db2.gz RZGOCDBVVZPMGN-NSHDSACASA-N 1 0 304.777 3.372 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121127999 284189017 /nfs/dbraw/zinc/18/90/17/284189017.db2.gz DGCNJAHQSZEAFW-HKUYNNGSSA-N 1 0 302.462 3.090 10 0 DGAERO O[C@H](C[NH2+]C1(c2ccc(F)cc2F)CCCC1)C(F)(F)F ZINC000121964905 284210244 /nfs/dbraw/zinc/21/02/44/284210244.db2.gz HCAXXQFGDNSJAP-GFCCVEGCSA-N 1 0 309.278 3.247 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1c(F)cccc1OC ZINC000122504958 284220990 /nfs/dbraw/zinc/22/09/90/284220990.db2.gz GMHWPZMFRBVZOC-QWHCGFSZSA-N 1 0 310.413 3.132 10 0 DGAERO CC(C)C1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487295781 245045893 /nfs/dbraw/zinc/04/58/93/245045893.db2.gz NFRIVVDNBSBDGH-UHFFFAOYSA-N 1 0 314.271 3.487 10 0 DGAERO Cc1ccccc1-c1nc(CN(C[C@H]2CCOC2)C2CC2)no1 ZINC000122898027 284227966 /nfs/dbraw/zinc/22/79/66/284227966.db2.gz NGBJHJWQEHNVIM-CQSZACIVSA-N 1 0 313.401 3.046 10 0 DGAERO CCOc1cc2c(cc1OCC)C[N@H+](C[C@@](C)(O)CC)CC2 ZINC000123226983 284234409 /nfs/dbraw/zinc/23/44/09/284234409.db2.gz GFEZSMFDQBDDOB-SFHVURJKSA-N 1 0 307.434 3.003 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)on1 ZINC000181289823 432122918 /nfs/dbraw/zinc/12/29/18/432122918.db2.gz XATHXTDMWJFUSK-HNNXBMFYSA-N 1 0 323.400 3.148 10 0 DGAERO c1ccc2c(c1)CC[C@@H](C[NH+]1CCC(Oc3cnccn3)CC1)C2 ZINC000488803447 245234464 /nfs/dbraw/zinc/23/44/64/245234464.db2.gz JBGVLONXQHYQGO-MRXNPFEDSA-N 1 0 323.440 3.125 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)[C@@H](C)c1ccccc1 ZINC000246374273 432124361 /nfs/dbraw/zinc/12/43/61/432124361.db2.gz JPTCZVRAUHYTPK-RYRKJORJSA-N 1 0 310.445 3.227 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246373893 432124554 /nfs/dbraw/zinc/12/45/54/432124554.db2.gz JIZXJHSHDNGMGJ-DOMZBBRYSA-N 1 0 309.841 3.499 10 0 DGAERO COc1cccc2c1OC[C@H]([NH2+]CCc1ccccc1Cl)C2 ZINC000012049623 181725127 /nfs/dbraw/zinc/72/51/27/181725127.db2.gz UBISZSLGYGELLC-OAHLLOKOSA-N 1 0 317.816 3.484 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2noc(C3CCCCC3)n2)[C@H](C)C1 ZINC000125767985 284283612 /nfs/dbraw/zinc/28/36/12/284283612.db2.gz RCZOVTYCPYLAQE-ZBFHGGJFSA-N 1 0 320.481 3.279 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2noc(C3CCCCC3)n2)[C@H](C)C1 ZINC000125768250 284283766 /nfs/dbraw/zinc/28/37/66/284283766.db2.gz RCZOVTYCPYLAQE-GDBMZVCRSA-N 1 0 320.481 3.279 10 0 DGAERO COc1cccc(-c2cc3ncccc3c(NCCC[NH3+])n2)c1 ZINC000013489158 181855373 /nfs/dbraw/zinc/85/53/73/181855373.db2.gz WAWQOZCSROOCQK-UHFFFAOYSA-N 1 0 308.385 3.066 10 0 DGAERO O=C(Nc1ccc(F)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107723557 284305790 /nfs/dbraw/zinc/30/57/90/284305790.db2.gz NKXRYVRTEDPVFD-MRXNPFEDSA-N 1 0 305.397 3.308 10 0 DGAERO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246962501 284320211 /nfs/dbraw/zinc/32/02/11/284320211.db2.gz XOBRBCRYFUDPHH-XKQJLSEDSA-N 1 0 312.413 3.065 10 0 DGAERO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC(C)(C)C)C2)CC1 ZINC000171354332 432126078 /nfs/dbraw/zinc/12/60/78/432126078.db2.gz JNZSAUTWPCSTCO-MRXNPFEDSA-N 1 0 309.498 3.186 10 0 DGAERO Cn1c(CN2CC[C@H](Cc3ccccc3)C2)nnc1C1CCC1 ZINC000181375854 432126361 /nfs/dbraw/zinc/12/63/61/432126361.db2.gz OIXIIROBVSVZKL-MRXNPFEDSA-N 1 0 310.445 3.147 10 0 DGAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cc(Br)ccc1F ZINC000127268826 284332790 /nfs/dbraw/zinc/33/27/90/284332790.db2.gz ZPZCHKDTNDHCFC-FKTRJACZSA-N 1 0 302.187 3.010 10 0 DGAERO Cc1cccc2nc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn21 ZINC000246422882 432128114 /nfs/dbraw/zinc/12/81/14/432128114.db2.gz CCZYNPKOLQIYFM-LPHOPBHVSA-N 1 0 324.472 3.091 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CSC2(C)C)cc1OC(F)F ZINC000282817915 217271611 /nfs/dbraw/zinc/27/16/11/217271611.db2.gz NAVIAKYHYPHOFR-GFCCVEGCSA-N 1 0 303.374 3.280 10 0 DGAERO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccccc1 ZINC000015831698 182019533 /nfs/dbraw/zinc/01/95/33/182019533.db2.gz HSDGLPCNVAJPIC-GOSISDBHSA-N 1 0 323.440 3.373 10 0 DGAERO CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000246419509 432128666 /nfs/dbraw/zinc/12/86/66/432128666.db2.gz LTZWUFAFAVUDCA-NCOADZHNSA-N 1 0 309.498 3.327 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000128178571 284365904 /nfs/dbraw/zinc/36/59/04/284365904.db2.gz XUFFEDYAIHBWKT-BRSBDYLESA-N 1 0 300.446 3.300 10 0 DGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000128506970 284377857 /nfs/dbraw/zinc/37/78/57/284377857.db2.gz KWBDVLCTSBYAGE-RHSMWYFYSA-N 1 0 302.418 3.097 10 0 DGAERO CC(C)Cc1ccc(CCC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000128736470 284385099 /nfs/dbraw/zinc/38/50/99/284385099.db2.gz WDJASIBPBGDVMX-UHFFFAOYSA-N 1 0 316.489 3.370 10 0 DGAERO CC1CCN([C@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000019282568 182111563 /nfs/dbraw/zinc/11/15/63/182111563.db2.gz RNIWFPIMYFGMGJ-SNVBAGLBSA-N 1 0 303.269 3.242 10 0 DGAERO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246440161 432130399 /nfs/dbraw/zinc/13/03/99/432130399.db2.gz DMOANASVSVVGGZ-WBVHZDCISA-N 1 0 318.461 3.385 10 0 DGAERO O=C(Nc1ccccc1Br)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019502636 182126765 /nfs/dbraw/zinc/12/67/65/182126765.db2.gz IJYBYHRBIVOKBM-VHRBIJSZSA-N 1 0 323.234 3.308 10 0 DGAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])[C@@H]1CCCO1 ZINC000019967870 182171322 /nfs/dbraw/zinc/17/13/22/182171322.db2.gz PGQTUCVKSAVWHP-WDEREUQCSA-N 1 0 320.614 3.290 10 0 DGAERO [NH3+][C@H](c1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000019971139 182171715 /nfs/dbraw/zinc/17/17/15/182171715.db2.gz FCRIHADEYVPDDH-HNNXBMFYSA-N 1 0 304.187 3.432 10 0 DGAERO C[C@H]1CCCN([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)C1 ZINC000019982996 182172903 /nfs/dbraw/zinc/17/29/03/182172903.db2.gz JGKIAHKWFMJMJF-FZMZJTMJSA-N 1 0 302.340 3.317 10 0 DGAERO [NH3+]C[C@H](c1ccccc1OC(F)(F)F)N1CCCCCC1 ZINC000019984437 182173746 /nfs/dbraw/zinc/17/37/46/182173746.db2.gz ZXSKFDKVWUWRBL-CYBMUJFWSA-N 1 0 302.340 3.461 10 0 DGAERO O=C(C[NH2+]Cc1ccccc1)Nc1ccccc1Br ZINC000020038379 182182945 /nfs/dbraw/zinc/18/29/45/182182945.db2.gz QGILWTUKDICZSQ-UHFFFAOYSA-N 1 0 319.202 3.177 10 0 DGAERO COc1ccccc1CN(C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225967 182198892 /nfs/dbraw/zinc/19/88/92/182198892.db2.gz ZAVBMJAKTUJQBV-MRXNPFEDSA-N 1 0 304.821 3.480 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2coc3ccccc23)CC1 ZINC000130351827 284439543 /nfs/dbraw/zinc/43/95/43/284439543.db2.gz PQCUPDLCTQFNQK-UHFFFAOYSA-N 1 0 300.402 3.283 10 0 DGAERO CCCOc1c(Cl)cc(C[NH2+]CCN(C)C)cc1Cl ZINC000020967500 182256562 /nfs/dbraw/zinc/25/65/62/182256562.db2.gz MDHBYBADEBJFTM-UHFFFAOYSA-N 1 0 305.249 3.433 10 0 DGAERO COc1ccc(CC[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000021149468 182266739 /nfs/dbraw/zinc/26/67/39/182266739.db2.gz NJQYBALAKDHPEI-OAHLLOKOSA-N 1 0 307.434 3.041 10 0 DGAERO Cc1cc(C)n(CCC[NH2+]C2CC(OCc3ccccc3)C2)n1 ZINC000493959329 246100372 /nfs/dbraw/zinc/10/03/72/246100372.db2.gz BWUXCCDEIYFWBY-UHFFFAOYSA-N 1 0 313.445 3.227 10 0 DGAERO CN(C)[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)c1ccco1 ZINC000493887645 246090778 /nfs/dbraw/zinc/09/07/78/246090778.db2.gz GMCOATKHZIOCSA-DAWZGUTISA-N 1 0 314.429 3.220 10 0 DGAERO COCC(C)(C)C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000494375700 246140165 /nfs/dbraw/zinc/14/01/65/246140165.db2.gz QZDVDWGMVGPTBU-GOSISDBHSA-N 1 0 304.478 3.303 10 0 DGAERO c1cn2c(n1)C[C@@H]([NH2+]Cc1csc(-c3ccccc3)n1)CC2 ZINC000494408163 246144850 /nfs/dbraw/zinc/14/48/50/246144850.db2.gz CAHAZQYFUNFGQC-AWEZNQCLSA-N 1 0 310.426 3.111 10 0 DGAERO CC/C=C\CC[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000494495489 246155589 /nfs/dbraw/zinc/15/55/89/246155589.db2.gz RVTUKIPRHBHOFY-FPLPWBNLSA-N 1 0 310.482 3.081 10 0 DGAERO C[C@@](CO)([NH2+]Cc1cc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000136194760 284496700 /nfs/dbraw/zinc/49/67/00/284496700.db2.gz IMDKPGGNGMKCLO-IBGZPJMESA-N 1 0 313.445 3.498 10 0 DGAERO C[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1n1ccnc1 ZINC000246477990 432136567 /nfs/dbraw/zinc/13/65/67/432136567.db2.gz FTORQEHLHFGYFQ-QFBILLFUSA-N 1 0 321.428 3.152 10 0 DGAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000246499164 432137767 /nfs/dbraw/zinc/13/77/67/432137767.db2.gz SKNXJPJOADFTKP-WBQJQJEBSA-N 1 0 314.473 3.449 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000246491480 432138485 /nfs/dbraw/zinc/13/84/85/432138485.db2.gz DRLBNFNXPJYUDH-WNOSKKOXSA-N 1 0 302.418 3.253 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(Cc2ccccc2)CCC1 ZINC000246524311 432139266 /nfs/dbraw/zinc/13/92/66/432139266.db2.gz KSXGMMZGVODEFX-WMZOPIPTSA-N 1 0 312.457 3.095 10 0 DGAERO OC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)C[C@H]1c1ccsc1 ZINC000190283445 432139950 /nfs/dbraw/zinc/13/99/50/432139950.db2.gz YJKUTMUOTZEFFH-RDJZCZTQSA-N 1 0 312.438 3.437 10 0 DGAERO COc1c(C)ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1C ZINC000171517731 432139994 /nfs/dbraw/zinc/13/99/94/432139994.db2.gz RVOKMIZWXIQWSK-HNNXBMFYSA-N 1 0 317.433 3.014 10 0 DGAERO CCc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000246545116 432141312 /nfs/dbraw/zinc/14/13/12/432141312.db2.gz WSLYYIBSMBCEOW-CJNGLKHVSA-N 1 0 323.506 3.182 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000246549980 432141499 /nfs/dbraw/zinc/14/14/99/432141499.db2.gz DJGNLODHQTUKJR-RKVPGOIHSA-N 1 0 315.461 3.266 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1cc2c(cc1Br)OCCCO2 ZINC000036926161 182852940 /nfs/dbraw/zinc/85/29/40/182852940.db2.gz LKROFPICVMSWGN-ITMYJUKJSA-N 1 0 312.207 3.266 10 0 DGAERO CC(C)[C@@H]([NH3+])c1cc2c(cc1Br)OCCCO2 ZINC000036926136 182853109 /nfs/dbraw/zinc/85/31/09/182853109.db2.gz SLPWBDSZDFWKBD-CYBMUJFWSA-N 1 0 300.196 3.266 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CNC1CC[NH+](C2CCC2)CC1 ZINC000267873704 206313979 /nfs/dbraw/zinc/31/39/79/206313979.db2.gz LNZBJMONSGWYFJ-UHFFFAOYSA-N 1 0 310.445 3.183 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246582734 432145907 /nfs/dbraw/zinc/14/59/07/432145907.db2.gz YGRXXDLURMSTGG-GDBMZVCRSA-N 1 0 319.449 3.324 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](CCCCC(=O)OC(C)(C)C)C2)c1 ZINC000181853741 432146964 /nfs/dbraw/zinc/14/69/64/432146964.db2.gz JXQBWPGIEQMJTE-INIZCTEOSA-N 1 0 321.465 3.340 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1SC ZINC000246594001 432147008 /nfs/dbraw/zinc/14/70/08/432147008.db2.gz PSOZOJVLCNTAQU-KGLIPLIRSA-N 1 0 304.459 3.107 10 0 DGAERO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1Cl ZINC000136167345 432147941 /nfs/dbraw/zinc/14/79/41/432147941.db2.gz SSKDIHYJZFXEJI-AGUYFDCRSA-N 1 0 322.836 3.094 10 0 DGAERO Brc1ccc(-c2c[nH]c(CC[NH2+]C3CC3)n2)cc1 ZINC000037613658 182913097 /nfs/dbraw/zinc/91/30/97/182913097.db2.gz UWCBBMFBXHZEJB-UHFFFAOYSA-N 1 0 306.207 3.134 10 0 DGAERO Cc1ccc(NC(=O)CC2CC[NH2+]CC2)c(Br)c1 ZINC000038074967 182985780 /nfs/dbraw/zinc/98/57/80/182985780.db2.gz PHBJHLNREWAXRF-UHFFFAOYSA-N 1 0 311.223 3.086 10 0 DGAERO CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@@]2(C)CC[NH2+][C@H]12 ZINC000038820507 183009997 /nfs/dbraw/zinc/00/99/97/183009997.db2.gz ITTCFQIHBIBVEN-IEBWSBKVSA-N 1 0 323.396 3.324 10 0 DGAERO Cc1ccc(C)c(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)c1 ZINC000040173993 183043400 /nfs/dbraw/zinc/04/34/00/183043400.db2.gz HRYUWEIPAXEBJP-MRXNPFEDSA-N 1 0 307.397 3.293 10 0 DGAERO C[NH2+]C[C@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000040599835 183108305 /nfs/dbraw/zinc/10/83/05/183108305.db2.gz DPBBWYMIZQWYRW-GFCCVEGCSA-N 1 0 317.260 3.304 10 0 DGAERO OCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000040743693 183128285 /nfs/dbraw/zinc/12/82/85/183128285.db2.gz YACOGJIMKDZFAX-UHFFFAOYSA-N 1 0 305.805 3.391 10 0 DGAERO CC[NH+](CC)CC[C@H](O)c1cc(Br)ccc1F ZINC000041147589 183176798 /nfs/dbraw/zinc/17/67/98/183176798.db2.gz LHCYLFRYDMLSEY-ZDUSSCGKSA-N 1 0 304.203 3.354 10 0 DGAERO CC(C)C[C@@H]([NH3+])CN(C)Cc1cc(Br)cs1 ZINC000042402397 183264577 /nfs/dbraw/zinc/26/45/77/183264577.db2.gz WRESJDYKRCNDLN-LLVKDONJSA-N 1 0 305.285 3.316 10 0 DGAERO CN(C)c1ncccc1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000181944966 432150155 /nfs/dbraw/zinc/15/01/55/432150155.db2.gz XWELMPFODHGJQK-INIZCTEOSA-N 1 0 315.392 3.290 10 0 DGAERO CC[N@H+](CCC(N)=S)Cc1ccc(F)cc1Br ZINC000042452705 183271997 /nfs/dbraw/zinc/27/19/97/183271997.db2.gz MJEHBPSWINWLET-UHFFFAOYSA-N 1 0 319.243 3.086 10 0 DGAERO CCN([C@@H](C[NH3+])c1c(Cl)cccc1Cl)[C@@H](C)COC ZINC000042743417 183304431 /nfs/dbraw/zinc/30/44/31/183304431.db2.gz HQRFWLPFFUVBCO-GWCFXTLKSA-N 1 0 305.249 3.350 10 0 DGAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000042846449 183314188 /nfs/dbraw/zinc/31/41/88/183314188.db2.gz LKBYFLQTTDUGTA-MRXNPFEDSA-N 1 0 315.461 3.265 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1cc(C)cn1 ZINC000042956026 183322849 /nfs/dbraw/zinc/32/28/49/183322849.db2.gz GTQUKZBYBGOHEY-UONOGXRCSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@@H]([NH3+])[C@@H](Sc1ncccn1)c1ccc(Br)cc1 ZINC000042959160 183323861 /nfs/dbraw/zinc/32/38/61/183323861.db2.gz MKIQKGQDKXMSQB-BXKDBHETSA-N 1 0 324.247 3.420 10 0 DGAERO C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)n1cc(Br)cn1 ZINC000043016831 183327626 /nfs/dbraw/zinc/32/76/26/183327626.db2.gz DPEGYFTZEQSELS-PELKAZGASA-N 1 0 314.614 3.236 10 0 DGAERO Cc1nn([C@@H](C[NH3+])c2cccc(Br)c2)c(C)c1C ZINC000043022205 183329506 /nfs/dbraw/zinc/32/95/06/183329506.db2.gz KNTXTERNPFDIAL-AWEZNQCLSA-N 1 0 308.223 3.119 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)n1cc(C)cn1 ZINC000043022160 183330020 /nfs/dbraw/zinc/33/00/20/183330020.db2.gz KCSVIUGEPXTACI-UONOGXRCSA-N 1 0 308.223 3.281 10 0 DGAERO Cc1nn([C@H](C[NH3+])c2cccc(Br)c2)c(C)c1C ZINC000043022207 183330021 /nfs/dbraw/zinc/33/00/21/183330021.db2.gz KNTXTERNPFDIAL-CQSZACIVSA-N 1 0 308.223 3.119 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1C)n1cc(Br)cn1 ZINC000043037941 183331998 /nfs/dbraw/zinc/33/19/98/183331998.db2.gz ZWVQYPYCICTJOM-ZIAGYGMSSA-N 1 0 308.223 3.281 10 0 DGAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)n1cc(Br)cn1 ZINC000043053281 183332680 /nfs/dbraw/zinc/33/26/80/183332680.db2.gz QKBBEEKALNLFQS-QPUJVOFHSA-N 1 0 314.614 3.236 10 0 DGAERO O[C@@H](C[NH2+]C[C@@H]1CCCCO1)c1cc(Cl)ccc1Cl ZINC000042819738 183312955 /nfs/dbraw/zinc/31/29/55/183312955.db2.gz LRZUOKYEIAVNIW-FZMZJTMJSA-N 1 0 304.217 3.186 10 0 DGAERO C[C@H]([NH3+])[C@@H](OC1CCOCC1)c1ccccc1Br ZINC000043095576 183337280 /nfs/dbraw/zinc/33/72/80/183337280.db2.gz XUEUVDINQLXQAI-IINYFYTJSA-N 1 0 314.223 3.033 10 0 DGAERO CC[C@@H]([NH3+])[C@H](OCCCOC)c1ccccc1Br ZINC000043095487 183337742 /nfs/dbraw/zinc/33/77/42/183337742.db2.gz UEUYIMSGFLZOFD-ZIAGYGMSSA-N 1 0 316.239 3.281 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000043331975 183355871 /nfs/dbraw/zinc/35/58/71/183355871.db2.gz PXOFYWJBXMCRIY-NSHDSACASA-N 1 0 313.829 3.200 10 0 DGAERO CC[C@H]([NH3+])[C@@H](SCCC(=O)OC)c1ccccc1Cl ZINC000043089886 183335383 /nfs/dbraw/zinc/33/53/83/183335383.db2.gz HSCIHLUSBLLOQC-JSGCOSHPSA-N 1 0 301.839 3.415 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000177480789 284731168 /nfs/dbraw/zinc/73/11/68/284731168.db2.gz RSLLPARXEMAKDT-RCCFBDPRSA-N 1 0 314.473 3.486 10 0 DGAERO C[C@H](CNC(=O)N[C@@H](C)c1cccc(Cl)c1)[N@H+](C)C1CC1 ZINC000105080516 194069876 /nfs/dbraw/zinc/06/98/76/194069876.db2.gz BSISFDUDXREERO-NEPJUHHUSA-N 1 0 309.841 3.183 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@H]2SCCc3ccccc32)CCOCC1 ZINC000453126330 284741732 /nfs/dbraw/zinc/74/17/32/284741732.db2.gz IFRYEZHZGLBMIF-RHSMWYFYSA-N 1 0 321.486 3.191 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)CC2 ZINC000105873911 194153258 /nfs/dbraw/zinc/15/32/58/194153258.db2.gz OKRCMYOGQSYFMZ-DOMZBBRYSA-N 1 0 302.397 3.206 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)n1 ZINC000105885432 194156591 /nfs/dbraw/zinc/15/65/91/194156591.db2.gz SQZIVDGXENUNTE-AWEZNQCLSA-N 1 0 320.387 3.085 10 0 DGAERO c1ncn(C[C@@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)n1 ZINC000106175967 194189670 /nfs/dbraw/zinc/18/96/70/194189670.db2.gz YELCVTJTUCTGTM-MRXNPFEDSA-N 1 0 306.413 3.344 10 0 DGAERO CC[C@H](c1ccccc1)[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000106199915 194189885 /nfs/dbraw/zinc/18/98/85/194189885.db2.gz ZVQRAKSFZNUDSV-RBUKOAKNSA-N 1 0 313.445 3.352 10 0 DGAERO CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000106696568 194244775 /nfs/dbraw/zinc/24/47/75/194244775.db2.gz UKMFBVXYYOXTLG-SFHVURJKSA-N 1 0 318.461 3.170 10 0 DGAERO CC[NH2+][C@@H]1CCN(Cc2ccc(Br)cc2)C[C@@H]1C ZINC000049712357 183755310 /nfs/dbraw/zinc/75/53/10/183755310.db2.gz VGNQDULZYJZDLR-SWLSCSKDSA-N 1 0 311.267 3.269 10 0 DGAERO O=C(c1ccnc2ccccc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107524484 194255916 /nfs/dbraw/zinc/25/59/16/194255916.db2.gz OPRDPEJXUWLRJE-INIZCTEOSA-N 1 0 323.440 3.325 10 0 DGAERO CC[C@H](C)C[C@@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245496328 284816407 /nfs/dbraw/zinc/81/64/07/284816407.db2.gz REGAUWWUQVYOJN-GVDBMIGSSA-N 1 0 309.498 3.471 10 0 DGAERO CC[NH2+]C[C@H](CCOC)Cc1ccc(Br)cc1 ZINC000052975578 183882382 /nfs/dbraw/zinc/88/23/82/183882382.db2.gz HTSBJIBKQYBYLD-CYBMUJFWSA-N 1 0 300.240 3.254 10 0 DGAERO CC(C)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2F)C1 ZINC000053011596 183883376 /nfs/dbraw/zinc/88/33/76/183883376.db2.gz UUWFCIBZJSMBIX-LLVKDONJSA-N 1 0 315.230 3.413 10 0 DGAERO Brc1cccc(CN2CCC[C@@H]2C[NH2+]C2CC2)c1 ZINC000053649287 183909147 /nfs/dbraw/zinc/90/91/47/183909147.db2.gz LULDNMCRWRVVGJ-OAHLLOKOSA-N 1 0 309.251 3.166 10 0 DGAERO C[NH2+][C@H](Cc1cc(Br)ccc1F)C[C@@H]1CCCO1 ZINC000053823926 183913544 /nfs/dbraw/zinc/91/35/44/183913544.db2.gz IEDBTQCKYKRUNA-OLZOCXBDSA-N 1 0 316.214 3.288 10 0 DGAERO CN(c1cc[nH+]c2ccccc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000110543175 194338405 /nfs/dbraw/zinc/33/84/05/194338405.db2.gz ZPMHWFUXDSIEMZ-OAHLLOKOSA-N 1 0 319.412 3.130 10 0 DGAERO c1ccc(CC[N@@H+]2CC[C@@H](CNc3ccnc(C4CC4)n3)C2)cc1 ZINC000110537930 194338458 /nfs/dbraw/zinc/33/84/58/194338458.db2.gz YRHLSYWDZUPDPK-KRWDZBQOSA-N 1 0 322.456 3.331 10 0 DGAERO CC(C)NC(=O)CC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000054048040 183921502 /nfs/dbraw/zinc/92/15/02/183921502.db2.gz COVRPWCNTPXFAU-UHFFFAOYSA-N 1 0 303.233 3.040 10 0 DGAERO O=C1N=CN(c2ccccc2)C12CC[NH+](Cc1ccccc1)CC2 ZINC000005395065 284856604 /nfs/dbraw/zinc/85/66/04/284856604.db2.gz SWSPODLAWAERSY-UHFFFAOYSA-N 1 0 319.408 3.096 10 0 DGAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cc(Br)ccc1C ZINC000054628281 183946798 /nfs/dbraw/zinc/94/67/98/183946798.db2.gz LTFADVYDQOWWTC-AGUYFDCRSA-N 1 0 309.251 3.477 10 0 DGAERO CC(C)CCOCC[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000056491490 184013835 /nfs/dbraw/zinc/01/38/35/184013835.db2.gz OWBXMESRPLUXKK-UHFFFAOYSA-N 1 0 324.509 3.164 10 0 DGAERO CCOc1ccc(NC(=O)NC[C@H](C)[NH+](CC)CC)cc1F ZINC000056702789 184017946 /nfs/dbraw/zinc/01/79/46/184017946.db2.gz UWBUJMTYIXCREN-LBPRGKRZSA-N 1 0 311.401 3.076 10 0 DGAERO COCCCC[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000074348541 284874411 /nfs/dbraw/zinc/87/44/11/284874411.db2.gz ZRRDNNIWDLEWAV-HNNXBMFYSA-N 1 0 310.869 3.445 10 0 DGAERO CCc1ccc(-c2nc(CN3CC[NH2+]CC3)sc2C)cc1 ZINC000057630243 184042721 /nfs/dbraw/zinc/04/27/21/184042721.db2.gz WWRQRIYUZHFXFB-UHFFFAOYSA-N 1 0 301.459 3.086 10 0 DGAERO C[C@@H]1C[C@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC(C)(C)C1 ZINC000248612790 288619908 /nfs/dbraw/zinc/61/99/08/288619908.db2.gz WMXPAOCNAALXMH-IKGGRYGDSA-N 1 0 306.494 3.393 10 0 DGAERO C[NH2+][C@@H](Cc1ccncc1)Cc1ccc(F)cc1Br ZINC000060709116 184154417 /nfs/dbraw/zinc/15/44/17/184154417.db2.gz NWIHYCXQKFDBHM-AWEZNQCLSA-N 1 0 323.209 3.356 10 0 DGAERO C[NH2+][C@H](Cc1ccncc1)Cc1cc(Br)ccc1F ZINC000060709055 184154629 /nfs/dbraw/zinc/15/46/29/184154629.db2.gz UZHZKAJPKUJRAJ-CQSZACIVSA-N 1 0 323.209 3.356 10 0 DGAERO CCCOc1ccc(OCCN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061041442 184160676 /nfs/dbraw/zinc/16/06/76/184160676.db2.gz OUXNCRPFEZLAPT-UHFFFAOYSA-N 1 0 318.461 3.024 10 0 DGAERO CC[NH2+]CCC(=O)N[C@@H](CC)c1ccc(Br)cc1 ZINC000061291382 184167541 /nfs/dbraw/zinc/16/75/41/184167541.db2.gz LHKOYAHTKICLHE-ZDUSSCGKSA-N 1 0 313.239 3.016 10 0 DGAERO CSc1ccc(C)c(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061604788 184177417 /nfs/dbraw/zinc/17/74/17/184177417.db2.gz JIEUEQYBSWYYAI-UHFFFAOYSA-N 1 0 304.459 3.027 10 0 DGAERO Cc1nnc(Sc2ccc([C@@H](C)[NH3+])cc2Br)[nH]1 ZINC000061700357 184183770 /nfs/dbraw/zinc/18/37/70/184183770.db2.gz UKNRYJKHXMIOMN-ZCFIWIBFSA-N 1 0 313.224 3.047 10 0 DGAERO CC[NH2+]C[C@@]1(Cc2cc(Br)cs2)CCCOC1 ZINC000062194170 184218521 /nfs/dbraw/zinc/21/85/21/184218521.db2.gz QZEBMLWALJAAPT-ZDUSSCGKSA-N 1 0 318.280 3.459 10 0 DGAERO Brc1ccc2c(ccn2CC[NH2+]C2CCOCC2)c1 ZINC000062767948 184252570 /nfs/dbraw/zinc/25/25/70/184252570.db2.gz SMWWHRADCXXZDR-UHFFFAOYSA-N 1 0 323.234 3.172 10 0 DGAERO Brc1ccc(SCC[NH2+]C2CCOCC2)cc1 ZINC000062768289 184252746 /nfs/dbraw/zinc/25/27/46/184252746.db2.gz HTWJUXNHBKMGOY-UHFFFAOYSA-N 1 0 316.264 3.310 10 0 DGAERO CC(C)[NH2+]Cc1cnc(Cc2ccc(Br)cc2)[nH]1 ZINC000062821285 184254249 /nfs/dbraw/zinc/25/42/49/184254249.db2.gz QTEMNMROHATGBM-UHFFFAOYSA-N 1 0 308.223 3.261 10 0 DGAERO Brc1ccc(Cc2ncc(C[NH2+]C3CC3)[nH]2)cc1 ZINC000062821402 184254332 /nfs/dbraw/zinc/25/43/32/184254332.db2.gz BJNQPUULGONNGL-UHFFFAOYSA-N 1 0 306.207 3.015 10 0 DGAERO [NH3+][C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000062837970 184255644 /nfs/dbraw/zinc/25/56/44/184255644.db2.gz JCKRFMOIBORSSE-AWEZNQCLSA-N 1 0 309.196 3.423 10 0 DGAERO CC[C@@]1(c2nc3cc(Br)ccc3n2C)CCC[NH2+]C1 ZINC000062869091 184257396 /nfs/dbraw/zinc/25/73/96/184257396.db2.gz CTNWRAGGBOWBSZ-OAHLLOKOSA-N 1 0 322.250 3.367 10 0 DGAERO CCC[C@@]1(C(=O)Nc2cccc(Br)c2)CC[NH2+]C1 ZINC000062889216 184258398 /nfs/dbraw/zinc/25/83/98/184258398.db2.gz BCHFGFQCAYKTQY-CQSZACIVSA-N 1 0 311.223 3.167 10 0 DGAERO O=C(CCc1ccccn1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000062881116 184258667 /nfs/dbraw/zinc/25/86/67/184258667.db2.gz XUEWFWMXIGRVFC-GOSISDBHSA-N 1 0 321.424 3.025 10 0 DGAERO CCn1c2ccc(Br)cc2nc1[C@]1(CC)CC[NH2+]C1 ZINC000062915019 184259923 /nfs/dbraw/zinc/25/99/23/184259923.db2.gz ULWIGABKUPPUAQ-OAHLLOKOSA-N 1 0 322.250 3.460 10 0 DGAERO CCOc1cccc([C@@H](C)NC(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000063404646 184280985 /nfs/dbraw/zinc/28/09/85/184280985.db2.gz KPQZOQPGQLMJBW-LSDHHAIUSA-N 1 0 321.465 3.176 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000113226337 194567230 /nfs/dbraw/zinc/56/72/30/194567230.db2.gz WBULMXDICDNMTQ-ZYHUDNBSSA-N 1 0 313.228 3.302 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000116420890 194747005 /nfs/dbraw/zinc/74/70/05/194747005.db2.gz APIYGDHCHRAMOO-UKRRQHHQSA-N 1 0 309.454 3.315 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000248569591 285006798 /nfs/dbraw/zinc/00/67/98/285006798.db2.gz LSQURJROFVMCNL-HKUYNNGSSA-N 1 0 324.472 3.256 10 0 DGAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000248606834 285010308 /nfs/dbraw/zinc/01/03/08/285010308.db2.gz WKBANRQKMPZPLB-SFDCQRBFSA-N 1 0 320.399 3.202 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248639456 285012920 /nfs/dbraw/zinc/01/29/20/285012920.db2.gz WULHGOYIEFPRDB-GXTWGEPZSA-N 1 0 300.402 3.296 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000248628275 285011923 /nfs/dbraw/zinc/01/19/23/285011923.db2.gz QNKDFXMAAUWUAP-MJGOQNOKSA-N 1 0 305.462 3.260 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000248660333 285015644 /nfs/dbraw/zinc/01/56/44/285015644.db2.gz VWMZAZODOFSBJH-WMLDXEAASA-N 1 0 312.417 3.116 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000248682265 285017903 /nfs/dbraw/zinc/01/79/03/285017903.db2.gz XCIURTIUDJVXCH-XJKSGUPXSA-N 1 0 308.853 3.451 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249174793 207673067 /nfs/dbraw/zinc/67/30/67/207673067.db2.gz YTMNPDJUBWETBK-BZSNNMDCSA-N 1 0 310.445 3.422 10 0 DGAERO CC[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000262245648 207678190 /nfs/dbraw/zinc/67/81/90/207678190.db2.gz RCLJTTOVIXCBFI-DDBAPUKQSA-N 1 0 300.446 3.217 10 0 DGAERO C[C@@H](C1CC1)[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000248785246 285026244 /nfs/dbraw/zinc/02/62/44/285026244.db2.gz YPWLBOSWIHXYSB-SCLBCKFNSA-N 1 0 323.864 3.480 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000248883933 285035605 /nfs/dbraw/zinc/03/56/05/285035605.db2.gz LOIBQGBYSDBLDR-DOTOQJQBSA-N 1 0 311.514 3.286 10 0 DGAERO CCCC(O)(CCC)C[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000119718503 195024224 /nfs/dbraw/zinc/02/42/24/195024224.db2.gz QOMCUWRLJWVIMP-UHFFFAOYSA-N 1 0 318.465 3.433 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000270504559 252794070 /nfs/dbraw/zinc/79/40/70/252794070.db2.gz OBPQDGCTKBNOFL-OWYHZJEWSA-N 1 0 312.457 3.060 10 0 DGAERO COc1cc(NC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1O ZINC000435780251 533004958 /nfs/dbraw/zinc/00/49/58/533004958.db2.gz VEFNTELTIJGLPT-UHFFFAOYSA-N 1 0 315.373 3.106 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2sc(C)nc2C)C12CCOCC2 ZINC000249025582 285046705 /nfs/dbraw/zinc/04/67/05/285046705.db2.gz RMKGXVCOOOQKMZ-BPLDGKMQSA-N 1 0 324.490 3.385 10 0 DGAERO C[C@@H](CC[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccccc1 ZINC000249034719 285047314 /nfs/dbraw/zinc/04/73/14/285047314.db2.gz SARFYUOKYXLLFV-ICSRJNTNSA-N 1 0 316.489 3.367 10 0 DGAERO Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccn1 ZINC000119960348 195070748 /nfs/dbraw/zinc/07/07/48/195070748.db2.gz HITOBMQBATVDHJ-UHFFFAOYSA-N 1 0 324.428 3.308 10 0 DGAERO CCC1(CC)C[N@H+](C[C@H](C)c2ccc(OC)cc2)CC[S@]1=O ZINC000249059690 285051192 /nfs/dbraw/zinc/05/11/92/285051192.db2.gz YHNYMSNJEZDHGT-OYHNWAKOSA-N 1 0 323.502 3.422 10 0 DGAERO C[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)C[C@H](c2ccccc2)O1 ZINC000249116042 285057314 /nfs/dbraw/zinc/05/73/14/285057314.db2.gz RZPJDOCSZSJTPC-AYOQOUSVSA-N 1 0 303.446 3.390 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@@H]1C ZINC000249236803 285064587 /nfs/dbraw/zinc/06/45/87/285064587.db2.gz WDOFAXWMNHGGDF-WMLDXEAASA-N 1 0 305.466 3.325 10 0 DGAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249179060 285061517 /nfs/dbraw/zinc/06/15/17/285061517.db2.gz GXFHYBWRPWULBF-QYZOEREBSA-N 1 0 300.446 3.097 10 0 DGAERO CCSCC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000336811345 253001973 /nfs/dbraw/zinc/00/19/73/253001973.db2.gz MMHWZJCAXKCJKE-UHFFFAOYSA-N 1 0 301.839 3.344 10 0 DGAERO Cc1cc(C(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c(C)n1C1CC1 ZINC000249574667 285080899 /nfs/dbraw/zinc/08/08/99/285080899.db2.gz PELIIMWDHVHOEU-BFUOFWGJSA-N 1 0 318.461 3.105 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249601011 285082366 /nfs/dbraw/zinc/08/23/66/285082366.db2.gz YFOVCQWMSNDKJH-PXAZEXFGSA-N 1 0 324.852 3.070 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(OC)cc1 ZINC000249707368 285084867 /nfs/dbraw/zinc/08/48/67/285084867.db2.gz BLHZDTJSZKQYGJ-UAGQMJEPSA-N 1 0 303.402 3.001 10 0 DGAERO CC[C@H]1CN(C[C@H](C)c2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC000249846733 285089852 /nfs/dbraw/zinc/08/98/52/285089852.db2.gz OMSKJZOTKIMPIM-YJBOKZPZSA-N 1 0 324.896 3.486 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](CC[C@@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443425 253116199 /nfs/dbraw/zinc/11/61/99/253116199.db2.gz OIUJFHYTLYJHDD-AEFFLSMTSA-N 1 0 317.477 3.358 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000249860894 285090490 /nfs/dbraw/zinc/09/04/90/285090490.db2.gz QLHJGWORENRRMO-HOTGVXAUSA-N 1 0 321.852 3.185 10 0 DGAERO c1ccc2c(c1)CCN2C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000337499650 253128042 /nfs/dbraw/zinc/12/80/42/253128042.db2.gz UTRYTUCVTOXBRQ-LJQANCHMSA-N 1 0 314.473 3.473 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@@H]1C ZINC000251848109 285099044 /nfs/dbraw/zinc/09/90/44/285099044.db2.gz NHKVHCGPVPWVPF-SWLSCSKDSA-N 1 0 317.351 3.485 10 0 DGAERO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ncn1 ZINC000337784023 253175001 /nfs/dbraw/zinc/17/50/01/253175001.db2.gz ACXDTQPVSQQZKB-KRWDZBQOSA-N 1 0 310.445 3.498 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[C@H]1C ZINC000251945332 285100148 /nfs/dbraw/zinc/10/01/48/285100148.db2.gz UXUJRTWPQPVFCG-AYOQOUSVSA-N 1 0 319.445 3.101 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000253549789 285110961 /nfs/dbraw/zinc/11/09/61/285110961.db2.gz WJJYMZNRWGWEQN-ZTFGCOKTSA-N 1 0 318.436 3.090 10 0 DGAERO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000159154135 197331426 /nfs/dbraw/zinc/33/14/26/197331426.db2.gz BVENZTVSCMIGBD-CYBMUJFWSA-N 1 0 304.203 3.085 10 0 DGAERO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1C ZINC000120204600 195118259 /nfs/dbraw/zinc/11/82/59/195118259.db2.gz KPXGDSCCULVEAU-GOSISDBHSA-N 1 0 310.445 3.194 10 0 DGAERO Cc1ccc(C(=O)CC[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000159121603 197329493 /nfs/dbraw/zinc/32/94/93/197329493.db2.gz WQWSJBIBNQOYEP-UHFFFAOYSA-N 1 0 311.429 3.181 10 0 DGAERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1F ZINC000159033027 197320965 /nfs/dbraw/zinc/32/09/65/197320965.db2.gz YPBUAEWREDZNBN-RDTXWAMCSA-N 1 0 314.404 3.176 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C/C=C\c1cccc(F)c1 ZINC000254990625 285117743 /nfs/dbraw/zinc/11/77/43/285117743.db2.gz PXLCMVGOHUTNAK-BQLWYNFJSA-N 1 0 306.425 3.322 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C/C=C\c1cccc(F)c1 ZINC000255021480 285120808 /nfs/dbraw/zinc/12/08/08/285120808.db2.gz QPKSZLBFLZCTIC-BGARFXKYSA-N 1 0 316.420 3.314 10 0 DGAERO c1cnn(-c2cccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)c2)c1 ZINC000339052656 253397661 /nfs/dbraw/zinc/39/76/61/253397661.db2.gz NGJPQJCWTZSATC-OTWHNJEPSA-N 1 0 323.440 3.310 10 0 DGAERO CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000158685280 197294238 /nfs/dbraw/zinc/29/42/38/197294238.db2.gz JYJQSSJKHLDFOA-CRAIPNDOSA-N 1 0 302.462 3.466 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccccn1 ZINC000158769414 197299644 /nfs/dbraw/zinc/29/96/44/197299644.db2.gz SYRUBQNEIJGUCQ-HNNXBMFYSA-N 1 0 309.413 3.449 10 0 DGAERO Cc1ccc(C(=O)CCC(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000120230748 195124229 /nfs/dbraw/zinc/12/42/29/195124229.db2.gz YDOYEENJELLJKH-CQSZACIVSA-N 1 0 324.490 3.112 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C/C=C\c1cccc(F)c1 ZINC000255107870 285129996 /nfs/dbraw/zinc/12/99/96/285129996.db2.gz DBOCVXSSNUWUDR-XYDITTIYSA-N 1 0 316.420 3.314 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC000255136077 285133453 /nfs/dbraw/zinc/13/34/53/285133453.db2.gz GETNPVYNCCENGX-AQOIUKNXSA-N 1 0 300.446 3.325 10 0 DGAERO Clc1ccc(/C=C\C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000255238738 285139907 /nfs/dbraw/zinc/13/99/07/285139907.db2.gz CJPCOYGNUGJBKL-SSCKWRJFSA-N 1 0 316.836 3.357 10 0 DGAERO Cc1cc(C[NH+]2CCC(Nc3cccnn3)CC2)ccc1F ZINC000120298817 195137445 /nfs/dbraw/zinc/13/74/45/195137445.db2.gz OFKLTQFTAKDJJP-UHFFFAOYSA-N 1 0 300.381 3.001 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)Cn1cncn1 ZINC000342072198 253921723 /nfs/dbraw/zinc/92/17/23/253921723.db2.gz SQQLDOUHBYPDPG-UWUHSAQLSA-N 1 0 324.350 3.379 10 0 DGAERO COC(=O)c1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1F ZINC000157815621 197218121 /nfs/dbraw/zinc/21/81/21/197218121.db2.gz QQCFFKPTTPNGCS-UHFFFAOYSA-N 1 0 322.405 3.052 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175957502 533113706 /nfs/dbraw/zinc/11/37/06/533113706.db2.gz RLRLMLLQQVQZNT-CKEIUWERSA-N 1 0 319.449 3.340 10 0 DGAERO CCCC[C@@H](COC)[NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000157543253 197195263 /nfs/dbraw/zinc/19/52/63/197195263.db2.gz CWQRWBDTAXIXOS-IRXDYDNUSA-N 1 0 320.477 3.316 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000343342122 254129398 /nfs/dbraw/zinc/12/93/98/254129398.db2.gz UUKVGLFKOUPOFP-UHFFFAOYSA-N 1 0 322.493 3.153 10 0 DGAERO C[C@H](CNC(=O)C/C=C\c1cccc(F)c1)[NH+]1CCC(C)CC1 ZINC000255844671 285181817 /nfs/dbraw/zinc/18/18/17/285181817.db2.gz YEYLNAFIROJDPT-DQOPKJQZSA-N 1 0 318.436 3.466 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000344300955 254253554 /nfs/dbraw/zinc/25/35/54/254253554.db2.gz SGFZQWBQRBSALL-INIZCTEOSA-N 1 0 312.413 3.177 10 0 DGAERO OCC1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000344965939 254320050 /nfs/dbraw/zinc/32/00/50/254320050.db2.gz IAMCGOHPBOWFOS-UHFFFAOYSA-N 1 0 316.214 3.229 10 0 DGAERO COc1ccc(Br)c(C[NH2+][C@H]2CC[C@H]2SC)c1 ZINC000344964297 254320072 /nfs/dbraw/zinc/32/00/72/254320072.db2.gz ZRVANZKHHKUDCN-QWHCGFSZSA-N 1 0 316.264 3.441 10 0 DGAERO c1c(C[NH2+]Cc2ccc3c(c2)COC3)[nH]nc1-c1ccccc1 ZINC000344995254 254321640 /nfs/dbraw/zinc/32/16/40/254321640.db2.gz LQACMDVWNJBTHV-UHFFFAOYSA-N 1 0 305.381 3.397 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(F)c1Br)[C@@H]1CCCO1 ZINC000156697976 197134307 /nfs/dbraw/zinc/13/43/07/197134307.db2.gz ZKYXMOXBWHTPKP-CABZTGNLSA-N 1 0 302.187 3.245 10 0 DGAERO C[NH2+]C[C@H](C)C(=O)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000156622759 197128159 /nfs/dbraw/zinc/12/81/59/197128159.db2.gz WZHMUWINEZWGNP-ZDUSSCGKSA-N 1 0 318.367 3.354 10 0 DGAERO C[C@H](CCCO)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000294845249 224259694 /nfs/dbraw/zinc/25/96/94/224259694.db2.gz RNEYOPUSVUSWLM-SNVBAGLBSA-N 1 0 304.203 3.086 10 0 DGAERO CCc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000120414006 195161630 /nfs/dbraw/zinc/16/16/30/195161630.db2.gz CHVNLLKUDQTKRB-YOEHRIQHSA-N 1 0 303.450 3.443 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1F ZINC000120555219 195189095 /nfs/dbraw/zinc/18/90/95/195189095.db2.gz BMHCDJQQODGXOX-NWDGAFQWSA-N 1 0 319.424 3.466 10 0 DGAERO O=C(NCCCCC[NH+]1CCCCC1)NCCC1=CCCC1 ZINC000120556160 195189536 /nfs/dbraw/zinc/18/95/36/195189536.db2.gz YDFYBXXXXOTICA-UHFFFAOYSA-N 1 0 307.482 3.442 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NCCc1cccs1 ZINC000120776493 195235666 /nfs/dbraw/zinc/23/56/66/195235666.db2.gz LVMABTOFHSIYDW-LSDHHAIUSA-N 1 0 316.470 3.455 10 0 DGAERO Cc1ccc(C[N@@H+]2C[C@@H]3CN(c4ccsc4)C(=O)[C@@H]3C2)s1 ZINC000248054517 257109541 /nfs/dbraw/zinc/10/95/41/257109541.db2.gz BPXZAQLAJVSWFD-IUODEOHRSA-N 1 0 318.467 3.213 10 0 DGAERO CCC[N@@H+]1C[C@@H]2Cc3c(c(-c4cccc(OC)c4)nn3C)[C@@H]2C1 ZINC000248068426 257110016 /nfs/dbraw/zinc/11/00/16/257110016.db2.gz WRLFOBIKMGMMBY-GOEBONIOSA-N 1 0 311.429 3.077 10 0 DGAERO CC(C)c1ccc(C[N@H+]2C[C@H]3OCCN(C(C)C)[C@H]3C2)cc1 ZINC000248038455 257110157 /nfs/dbraw/zinc/11/01/57/257110157.db2.gz ZYNICZSJINQBDR-RBUKOAKNSA-N 1 0 302.462 3.103 10 0 DGAERO CO[C@@H]1CC[N@H+](Cc2nccs2)C[C@H]1Cc1ccccc1 ZINC000247865877 257115787 /nfs/dbraw/zinc/11/57/87/257115787.db2.gz XPPWZDFPNOPESY-HZPDHXFCSA-N 1 0 302.443 3.223 10 0 DGAERO Fc1cccc(C[NH2+]CCCOC(F)(F)C(F)(F)F)c1 ZINC000096308412 257133119 /nfs/dbraw/zinc/13/31/19/257133119.db2.gz IYAKBMKHDDAPGI-UHFFFAOYSA-N 1 0 301.230 3.477 10 0 DGAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000263615992 257215465 /nfs/dbraw/zinc/21/54/65/257215465.db2.gz GJPDRAYPGFFTGY-ROUUACIJSA-N 1 0 313.372 3.214 10 0 DGAERO Cc1cccc(C)c1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000071790521 184841615 /nfs/dbraw/zinc/84/16/15/184841615.db2.gz HFENLDCWRDNAKI-CABCVRRESA-N 1 0 304.434 3.355 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)NCC1CCCCC1 ZINC000121047115 195286974 /nfs/dbraw/zinc/28/69/74/195286974.db2.gz KMTKWFFBKVEXEH-CQSZACIVSA-N 1 0 323.506 3.093 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](Cc1cnc(C)s1)Cc1ccccc1 ZINC000121107492 195294218 /nfs/dbraw/zinc/29/42/18/195294218.db2.gz FVWRLRUHEBCDKT-ZDUSSCGKSA-N 1 0 318.442 3.263 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)NCCC1=CCCC1)c1ccc(F)cc1 ZINC000121122631 195295861 /nfs/dbraw/zinc/29/58/61/195295861.db2.gz UXYVCSCSYPOJMW-KRWDZBQOSA-N 1 0 319.424 3.228 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000121858361 195363019 /nfs/dbraw/zinc/36/30/19/195363019.db2.gz XANCKMASBGJWHL-WBMJQRKESA-N 1 0 300.406 3.018 10 0 DGAERO CCCC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(OC)cc1 ZINC000121935180 195377322 /nfs/dbraw/zinc/37/73/22/195377322.db2.gz YLGSMWYIADOYSP-KBPBESRZSA-N 1 0 305.340 3.439 10 0 DGAERO COc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)C(F)(F)F ZINC000121970970 195383503 /nfs/dbraw/zinc/38/35/03/195383503.db2.gz CNAFNVMOSSFCEP-OCCSQVGLSA-N 1 0 305.340 3.295 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(C)cc3C)C2)n1 ZINC000121970448 195383886 /nfs/dbraw/zinc/38/38/86/195383886.db2.gz STDZQDJFRKFRKA-GOSISDBHSA-N 1 0 312.461 3.424 10 0 DGAERO COCCCCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000122751075 195495572 /nfs/dbraw/zinc/49/55/72/195495572.db2.gz CFSNZTPDYFMBAJ-CYBMUJFWSA-N 1 0 308.422 3.121 10 0 DGAERO CC[C@H](CCO)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127492896 195882433 /nfs/dbraw/zinc/88/24/33/195882433.db2.gz ZTBFNZFVQIAGMZ-SNVBAGLBSA-N 1 0 304.203 3.086 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)C1CCCC1 ZINC000184652614 533345389 /nfs/dbraw/zinc/34/53/89/533345389.db2.gz JQXXLJTVUIXDRH-OAHLLOKOSA-N 1 0 300.446 3.350 10 0 DGAERO C[C@@H](CCCC[NH3+])Nc1ccnc2cc(Br)cnc21 ZINC000311464861 533540943 /nfs/dbraw/zinc/54/09/43/533540943.db2.gz MWFWOZZQWFYIDB-JTQLQIEISA-N 1 0 323.238 3.322 10 0 DGAERO c1ccc(N2CCCN(c3cc[nH+]c4ccccc43)CC2)nc1 ZINC000186026547 285481105 /nfs/dbraw/zinc/48/11/05/285481105.db2.gz QCKNHHYUQXXODT-UHFFFAOYSA-N 1 0 304.397 3.347 10 0 DGAERO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000183210763 285483760 /nfs/dbraw/zinc/48/37/60/285483760.db2.gz YLGSLGDJYBCPDH-MRXNPFEDSA-N 1 0 318.461 3.269 10 0 DGAERO c1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000282299167 285484526 /nfs/dbraw/zinc/48/45/26/285484526.db2.gz SMKHNTRETBVHRY-FUHWJXTLSA-N 1 0 300.446 3.204 10 0 DGAERO C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000164381902 132160664 /nfs/dbraw/zinc/16/06/64/132160664.db2.gz WLYZITCDWYYVKZ-IUCAKERBSA-N 1 0 301.217 3.026 10 0 DGAERO c1cnc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC13CCSCC3)CC2 ZINC000421868260 285549394 /nfs/dbraw/zinc/54/93/94/285549394.db2.gz CRTKYZHMQXWEHH-HZPDHXFCSA-N 1 0 302.487 3.452 10 0 DGAERO c1cnc2c(c1)CC[C@H]([NH2+]C[C@H]1CC13CCSCC3)CC2 ZINC000421868256 285549952 /nfs/dbraw/zinc/54/99/52/285549952.db2.gz CRTKYZHMQXWEHH-CVEARBPZSA-N 1 0 302.487 3.452 10 0 DGAERO C[C@H]1Cc2ccccc2N1C1CC[NH+](CCCCCO)CC1 ZINC000608561113 400085556 /nfs/dbraw/zinc/08/55/56/400085556.db2.gz SLMMNGLPVSKWAO-INIZCTEOSA-N 1 0 302.462 3.065 10 0 DGAERO CC1(C)[C@H]([NH3+])[C@@H]1c1cc(Br)c(Br)o1 ZINC000300934430 400100097 /nfs/dbraw/zinc/10/00/97/400100097.db2.gz FUWZTFZTJRPUGH-NKWVEPMBSA-N 1 0 309.001 3.255 10 0 DGAERO CC(C)C(=[NH2+])Nc1cccc(F)c1I ZINC000300908806 400100414 /nfs/dbraw/zinc/10/04/14/400100414.db2.gz PTBPVCNNRGJCIH-UHFFFAOYSA-N 1 0 306.122 3.475 10 0 DGAERO Cc1noc(C)c1N(C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000608762698 400117097 /nfs/dbraw/zinc/11/70/97/400117097.db2.gz YAPYQCBKWFHTNX-UHFFFAOYSA-N 1 0 313.401 3.164 10 0 DGAERO CCS[C@@H]1CCCC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000609563256 400175855 /nfs/dbraw/zinc/17/58/55/400175855.db2.gz OHAMPOGPOJMIEV-CYBMUJFWSA-N 1 0 307.419 3.437 10 0 DGAERO COC(=O)c1cnc(-c2ccc(Cl)cc2)nc1[C@H]1CCC[NH2+]1 ZINC000616578564 400177166 /nfs/dbraw/zinc/17/71/66/400177166.db2.gz MKABTPGJELQMNG-CYBMUJFWSA-N 1 0 317.776 3.008 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1COCCC[NH2+]1 ZINC000616601264 400181719 /nfs/dbraw/zinc/18/17/19/400181719.db2.gz AVQCLAVMAHMLPN-CQSZACIVSA-N 1 0 306.406 3.109 10 0 DGAERO Clc1ccc(CN(Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000328624876 400182299 /nfs/dbraw/zinc/18/22/99/400182299.db2.gz CSCSCYYUJYHWQD-KRWDZBQOSA-N 1 0 315.848 3.347 10 0 DGAERO C[N@@H+](Cc1cc(Cl)ccc1F)C[C@H]1CCc2nccn2C1 ZINC000328648966 400183497 /nfs/dbraw/zinc/18/34/97/400183497.db2.gz UUZPQODEPGDJJP-GFCCVEGCSA-N 1 0 307.800 3.370 10 0 DGAERO Cc1ccsc1CN(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328636199 400183624 /nfs/dbraw/zinc/18/36/24/400183624.db2.gz NYEBLOFEKJFUSU-INIZCTEOSA-N 1 0 301.459 3.063 10 0 DGAERO CCC[C@H](C(=O)OCC)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000609635618 400183816 /nfs/dbraw/zinc/18/38/16/400183816.db2.gz BLXCFONMTYABOO-ZWKOTPCHSA-N 1 0 324.509 3.306 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2cccc3ccncc32)cc1 ZINC000616635748 400189286 /nfs/dbraw/zinc/18/92/86/400189286.db2.gz LOMXLBGJJCURIL-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H]1c1cccc(N)c1 ZINC000616616798 400184547 /nfs/dbraw/zinc/18/45/47/400184547.db2.gz YDSBRFVXFYYYSR-INIZCTEOSA-N 1 0 319.449 3.321 10 0 DGAERO CCN(CC)C(=O)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000092592894 400184866 /nfs/dbraw/zinc/18/48/66/400184866.db2.gz QLFZHWALGAMCGG-RBUKOAKNSA-N 1 0 314.473 3.371 10 0 DGAERO CNc1ccc([C@@H]2CCC[N@@H+]2CCNC(=O)OC(C)(C)C)cc1 ZINC000616610149 400185031 /nfs/dbraw/zinc/18/50/31/400185031.db2.gz NTFMAAPLUQKXDO-INIZCTEOSA-N 1 0 319.449 3.390 10 0 DGAERO CC(C)c1noc(-c2ccnc(NC[C@@H](C3CC3)[NH+](C)C)c2)n1 ZINC000091481404 400122527 /nfs/dbraw/zinc/12/25/27/400122527.db2.gz YJZGQXJTGGTXDK-AWEZNQCLSA-N 1 0 315.421 3.007 10 0 DGAERO O=C(/C=C/c1ccco1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008406273 400124824 /nfs/dbraw/zinc/12/48/24/400124824.db2.gz VLTBHNKSQAPBEL-MDZDMXLPSA-N 1 0 310.397 3.205 10 0 DGAERO CC(C)([NH3+])CNc1ccc(I)cc1Cl ZINC000306654799 400126205 /nfs/dbraw/zinc/12/62/05/400126205.db2.gz HTKZAXLDCHKQQS-UHFFFAOYSA-N 1 0 324.593 3.094 10 0 DGAERO O=C(Nc1ccc(C[NH2+]Cc2ccccc2)cc1)C(F)(F)F ZINC000306860654 400126784 /nfs/dbraw/zinc/12/67/84/400126784.db2.gz DUJAMSGXGLJXPE-UHFFFAOYSA-N 1 0 308.303 3.477 10 0 DGAERO COc1cccc(CCCC[NH2+]CCOc2ccccn2)c1 ZINC000013470676 400151647 /nfs/dbraw/zinc/15/16/47/400151647.db2.gz KNABGQWLUPBQHM-UHFFFAOYSA-N 1 0 300.402 3.082 10 0 DGAERO CN(C)c1ccc(C(=O)CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000013729924 400152711 /nfs/dbraw/zinc/15/27/11/400152711.db2.gz GBIJZZWGZZVKLW-UHFFFAOYSA-N 1 0 300.446 3.447 10 0 DGAERO [NH3+][C@H]1CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc2C1 ZINC000319194808 400160257 /nfs/dbraw/zinc/16/02/57/400160257.db2.gz MMQBALHYUBSUKQ-ZDUSSCGKSA-N 1 0 302.324 3.033 10 0 DGAERO C[NH+]1CCC(CCNC(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000588928364 400246737 /nfs/dbraw/zinc/24/67/37/400246737.db2.gz BCOPFLPKBOXRPE-UHFFFAOYSA-N 1 0 319.836 3.283 10 0 DGAERO CC[N@@H+]1CCN[C@H](c2ccc(N(C)C(=O)OC(C)(C)C)cc2)C1 ZINC000616632722 400189881 /nfs/dbraw/zinc/18/98/81/400189881.db2.gz OUCPHHFKIBCOIP-INIZCTEOSA-N 1 0 319.449 3.024 10 0 DGAERO CC(C)[N@@H+]1CCN[C@H](c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000616632673 400190116 /nfs/dbraw/zinc/19/01/16/400190116.db2.gz OHWXOKCKLXKJDW-INIZCTEOSA-N 1 0 319.449 3.388 10 0 DGAERO c1ccc(CN2CCO[C@H](c3cccc4nnccc43)C2)cc1 ZINC000616643014 400191527 /nfs/dbraw/zinc/19/15/27/400191527.db2.gz QOROEVBXADJBJB-IBGZPJMESA-N 1 0 305.381 3.203 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCOCC[N@@H+]2C)cc1 ZINC000616655465 400194363 /nfs/dbraw/zinc/19/43/63/400194363.db2.gz DUKBLDWMVKVIGU-MRXNPFEDSA-N 1 0 320.433 3.451 10 0 DGAERO [NH3+]CCN1C[C@H](c2cccc3ncccc32)Cc2ccccc21 ZINC000616672706 400199113 /nfs/dbraw/zinc/19/91/13/400199113.db2.gz LQLCCAYTBNTEDC-MRXNPFEDSA-N 1 0 303.409 3.340 10 0 DGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc2cccnc2c1 ZINC000616679725 400201339 /nfs/dbraw/zinc/20/13/39/400201339.db2.gz ZTGNQBNJMYSSMT-FQEVSTJZSA-N 1 0 304.393 3.175 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cc2ccccc2cn1 ZINC000616679989 400201455 /nfs/dbraw/zinc/20/14/55/400201455.db2.gz JFWFSDCDZQJDST-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cccc2ncccc21 ZINC000616682097 400201899 /nfs/dbraw/zinc/20/18/99/400201899.db2.gz GEKNWLSORLRCDL-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccc3cccnc3c2)Nc2ccccc21 ZINC000616683757 400202957 /nfs/dbraw/zinc/20/29/57/400202957.db2.gz ILGCULXUFOUMMM-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@H](c2cc3ccccc3cn2)Nc2ccccc21 ZINC000616686103 400204534 /nfs/dbraw/zinc/20/45/34/400204534.db2.gz XBVSBAWPBCHDLX-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO c1nn(CC[NH+]2CCCCC2)cc1Nc1nc2ccccc2o1 ZINC000092978318 400218649 /nfs/dbraw/zinc/21/86/49/400218649.db2.gz UQMFESXADPCUCF-UHFFFAOYSA-N 1 0 311.389 3.254 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000389416123 400269631 /nfs/dbraw/zinc/26/96/31/400269631.db2.gz MLIHJLLHEQTOIB-BREBYQMCSA-N 1 0 304.217 3.121 10 0 DGAERO O=c1ccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)c[nH]1 ZINC000392628349 400278489 /nfs/dbraw/zinc/27/84/89/400278489.db2.gz HXYOQLFQGOMVPV-CQSZACIVSA-N 1 0 319.202 3.327 10 0 DGAERO O[C@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)COc1c(Cl)cccc1Cl ZINC000397746244 400285860 /nfs/dbraw/zinc/28/58/60/400285860.db2.gz JFEKKSNJKOAKGJ-WRWGMCAJSA-N 1 0 316.228 3.121 10 0 DGAERO C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106424932 400326203 /nfs/dbraw/zinc/32/62/03/400326203.db2.gz DMZBPOHYQLAALR-XLIONFOSSA-N 1 0 324.468 3.297 10 0 DGAERO CC(C)(C)OC(=O)N([C@H](C(=[NH2+])NO)c1cccc(F)c1)C1CC1 ZINC000409437942 400301641 /nfs/dbraw/zinc/30/16/41/400301641.db2.gz BJSGAVCCZVOXAA-ZDUSSCGKSA-N 1 0 323.368 3.222 10 0 DGAERO Clc1ccc(OCC[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000106185493 400325170 /nfs/dbraw/zinc/32/51/70/400325170.db2.gz AENDMJARFFUFBX-UHFFFAOYSA-N 1 0 319.836 3.328 10 0 DGAERO c1ccc2c(c1)n[nH]c2C[NH2+]CCc1ccc2ccccc2n1 ZINC000589646988 400318275 /nfs/dbraw/zinc/31/82/75/400318275.db2.gz VEVBVAJRYSUERW-UHFFFAOYSA-N 1 0 302.381 3.443 10 0 DGAERO c1csc(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)n1 ZINC000589648724 400319308 /nfs/dbraw/zinc/31/93/08/400319308.db2.gz MLGQEBQVEUNTMX-OAHLLOKOSA-N 1 0 322.437 3.247 10 0 DGAERO O=C(NCc1ccc2ccccc2c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105270797 400321165 /nfs/dbraw/zinc/32/11/65/400321165.db2.gz VRQGRZXBHLMFHX-LJQANCHMSA-N 1 0 323.440 3.220 10 0 DGAERO C[S@](=O)c1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000611336549 400379574 /nfs/dbraw/zinc/37/95/74/400379574.db2.gz QDMYZKTVBGPWAD-KKSFZXQISA-N 1 0 319.857 3.334 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000611406790 400394534 /nfs/dbraw/zinc/39/45/34/400394534.db2.gz XKRHVVFLVMAQGF-HNNXBMFYSA-N 1 0 307.434 3.332 10 0 DGAERO [NH3+]CCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1 ZINC000036415856 400390383 /nfs/dbraw/zinc/39/03/83/400390383.db2.gz HZDQPMRHZIXJER-UHFFFAOYSA-N 1 0 320.396 3.323 10 0 DGAERO CC(C)CC[C@@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107824766 400338143 /nfs/dbraw/zinc/33/81/43/400338143.db2.gz RXMGGOVUIXSSNU-IAGOWNOFSA-N 1 0 309.498 3.471 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000108540423 400345744 /nfs/dbraw/zinc/34/57/44/400345744.db2.gz VHFZVEDXIISQGW-OLZOCXBDSA-N 1 0 309.841 3.042 10 0 DGAERO O[C@H]([C@H]1CCCC[NH2+]1)[C@@H]1CCNc2c1cccc2C(F)(F)F ZINC000032229365 400360183 /nfs/dbraw/zinc/36/01/83/400360183.db2.gz PFSVXXXAEPJUHV-KYOSRNDESA-N 1 0 314.351 3.108 10 0 DGAERO CC[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)C1CCCCC1 ZINC000070943675 400363778 /nfs/dbraw/zinc/36/37/78/400363778.db2.gz HSXBYTCQEUKLMP-UHFFFAOYSA-N 1 0 313.445 3.278 10 0 DGAERO Cc1ccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C)[NH+]2CCCC2)o1 ZINC000112450016 400373531 /nfs/dbraw/zinc/37/35/31/400373531.db2.gz BFEQDIGBBNHRNM-CABCVRRESA-N 1 0 321.465 3.459 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1c(C)noc1C)c1ccccc1 ZINC000611405400 400394213 /nfs/dbraw/zinc/39/42/13/400394213.db2.gz MLIVQWXLGGBIRD-INIZCTEOSA-N 1 0 316.401 3.322 10 0 DGAERO CC[C@@H](C)[C@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000116757200 400413115 /nfs/dbraw/zinc/41/31/15/400413115.db2.gz ADDAKLWQAVUPOM-QAPCUYQASA-N 1 0 302.462 3.369 10 0 DGAERO CC(C)c1ccc(CCCNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000117056179 400414327 /nfs/dbraw/zinc/41/43/27/400414327.db2.gz VWQIWARAGQJVER-SFHVURJKSA-N 1 0 317.477 3.088 10 0 DGAERO CC(C)[NH+]1CCN(c2ccc(-c3ccc(C=O)cc3)cn2)CC1 ZINC000116983981 400414481 /nfs/dbraw/zinc/41/44/81/400414481.db2.gz RUNFZVXZVYGJHU-UHFFFAOYSA-N 1 0 309.413 3.092 10 0 DGAERO [NH3+]CC1(c2nc(-c3cc(F)cc(F)c3)cs2)CCOCC1 ZINC000118354736 400428397 /nfs/dbraw/zinc/42/83/97/400428397.db2.gz LCFTYUJZBJIBHW-UHFFFAOYSA-N 1 0 310.369 3.095 10 0 DGAERO CC[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1nccs1 ZINC000121983043 400458544 /nfs/dbraw/zinc/45/85/44/400458544.db2.gz ZDZNMIZKVPAAPP-CYBMUJFWSA-N 1 0 324.494 3.158 10 0 DGAERO CCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1CCCC1 ZINC000127963018 400509187 /nfs/dbraw/zinc/50/91/87/400509187.db2.gz QXJISQKYUHDCQK-QGZVFWFLSA-N 1 0 317.477 3.133 10 0 DGAERO CSCCCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000128203309 400511500 /nfs/dbraw/zinc/51/15/00/400511500.db2.gz QIMDJARDRBNLJP-CQSZACIVSA-N 1 0 310.463 3.066 10 0 DGAERO O=C(CC[C@@H]1CCC[NH2+]C1)NC1CCC(C(F)(F)F)CC1 ZINC000043588807 400472859 /nfs/dbraw/zinc/47/28/59/400472859.db2.gz MQYSWIMTKSXJJE-HIFPTAJRSA-N 1 0 306.372 3.004 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000043722437 400476808 /nfs/dbraw/zinc/47/68/08/400476808.db2.gz QEAHBHFKDLATOQ-HNNXBMFYSA-N 1 0 319.449 3.166 10 0 DGAERO CC1(C)CC(NC(=O)N[C@H]2CCc3ccccc32)CC(C)(C)[NH2+]1 ZINC000045545499 400527601 /nfs/dbraw/zinc/52/76/01/400527601.db2.gz NKBQVIKKMFMAGZ-INIZCTEOSA-N 1 0 315.461 3.282 10 0 DGAERO COc1cc(C[NH2+]C[C@H](C)C2CC2)cc(Br)c1O ZINC000133025112 400566892 /nfs/dbraw/zinc/56/68/92/400566892.db2.gz RCCNJCWXSUTLED-VIFPVBQESA-N 1 0 314.223 3.299 10 0 DGAERO C[NH2+][C@@H](c1ncc(Br)cc1Br)C1CC1 ZINC000140721290 400621581 /nfs/dbraw/zinc/62/15/81/400621581.db2.gz IYYHQZHUALGPBC-SECBINFHSA-N 1 0 320.028 3.277 10 0 DGAERO c1ccc(CCC[NH+](C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1 ZINC000047613476 400623878 /nfs/dbraw/zinc/62/38/78/400623878.db2.gz LJWNNIVAUZDIIZ-OALUTQOASA-N 1 0 303.446 3.279 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000075977758 400624277 /nfs/dbraw/zinc/62/42/77/400624277.db2.gz BTZNBIRWIUWZNP-RVKKMQEKSA-N 1 0 315.461 3.126 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000075977753 400624707 /nfs/dbraw/zinc/62/47/07/400624707.db2.gz NUBXKHBHOTZGSH-YJBOKZPZSA-N 1 0 315.461 3.126 10 0 DGAERO c1ccc(N2CCN3Cc4[nH]c5ccccc5c4C[C@H]3C2)cc1 ZINC000142110190 400629071 /nfs/dbraw/zinc/62/90/71/400629071.db2.gz BKUAQVITXKPPJO-INIZCTEOSA-N 1 0 303.409 3.415 10 0 DGAERO Cc1c2ccccc2oc1[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139710524 400611474 /nfs/dbraw/zinc/61/14/74/400611474.db2.gz UUSUICNKILHDCQ-KBPBESRZSA-N 1 0 315.417 3.196 10 0 DGAERO O=c1[nH]c(Nc2cccc([C@H]3CCC[NH2+]C3)c2)nc2ccccc21 ZINC000147363736 400651950 /nfs/dbraw/zinc/65/19/50/400651950.db2.gz JREIBNNYZQVJDO-AWEZNQCLSA-N 1 0 320.396 3.134 10 0 DGAERO CCc1sc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1C ZINC000076488969 400657611 /nfs/dbraw/zinc/65/76/11/400657611.db2.gz HLDDNZSHHZLQHQ-UONOGXRCSA-N 1 0 308.491 3.421 10 0 DGAERO COc1ccc(C[NH2+]Cc2cccc(C)n2)cc1Br ZINC000048329681 400653032 /nfs/dbraw/zinc/65/30/32/400653032.db2.gz DKBAUXZDEIBVIL-UHFFFAOYSA-N 1 0 321.218 3.451 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000151782937 400676043 /nfs/dbraw/zinc/67/60/43/400676043.db2.gz IPLNJFYRFRWCTD-SNRMKQJTSA-N 1 0 314.473 3.372 10 0 DGAERO CCc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ncn1 ZINC000603390746 400679149 /nfs/dbraw/zinc/67/91/49/400679149.db2.gz JLVQGYJXIQXRNY-INIZCTEOSA-N 1 0 302.466 3.131 10 0 DGAERO c1coc(-c2noc(C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)n2)c1 ZINC000152937787 400683890 /nfs/dbraw/zinc/68/38/90/400683890.db2.gz ADXFCQKCYNTCKU-AWEZNQCLSA-N 1 0 317.389 3.253 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)Nc1ccc2nccn2c1 ZINC000603885421 400730158 /nfs/dbraw/zinc/73/01/58/400730158.db2.gz SODXVWYLUFEDMR-UHFFFAOYSA-N 1 0 302.422 3.175 10 0 DGAERO c1ccc(-c2noc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)n2)nc1 ZINC000603967813 400738973 /nfs/dbraw/zinc/73/89/73/400738973.db2.gz GFNHPNNXDDVVNQ-GOSISDBHSA-N 1 0 310.401 3.454 10 0 DGAERO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000161991810 400742869 /nfs/dbraw/zinc/74/28/69/400742869.db2.gz KCOZVAQOPPAULU-QZTJIDSGSA-N 1 0 306.494 3.439 10 0 DGAERO CC[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1nccs1 ZINC000155550878 400704288 /nfs/dbraw/zinc/70/42/88/400704288.db2.gz YPDOOGIAEOGLPG-CQSZACIVSA-N 1 0 324.494 3.015 10 0 DGAERO CC[C@H](NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)c1nccs1 ZINC000157550668 400717249 /nfs/dbraw/zinc/71/72/49/400717249.db2.gz AMPSTJVSPLPTLO-MJBXVCDLSA-N 1 0 324.494 3.014 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC000157378830 400717338 /nfs/dbraw/zinc/71/73/38/400717338.db2.gz WLQBZNQIXHQQDY-FUHWJXTLSA-N 1 0 317.477 3.052 10 0 DGAERO CCCOc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000054307621 400817987 /nfs/dbraw/zinc/81/79/87/400817987.db2.gz VZZWLNRFADBOGG-LBPRGKRZSA-N 1 0 310.825 3.457 10 0 DGAERO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)Nc1nccs1 ZINC000053099022 400764924 /nfs/dbraw/zinc/76/49/24/400764924.db2.gz XZWVFIVVRVWFSO-CQSZACIVSA-N 1 0 321.833 3.476 10 0 DGAERO C[C@@H](CNC(=O)C[C@@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000170978382 400779801 /nfs/dbraw/zinc/77/98/01/400779801.db2.gz NPDMIUKJJCLHBM-WMZOPIPTSA-N 1 0 314.473 3.345 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000171177589 400788230 /nfs/dbraw/zinc/78/82/30/400788230.db2.gz VEVWMBJBYZJMRB-HNNXBMFYSA-N 1 0 319.449 3.200 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)C(C)C)c1 ZINC000172482597 400829096 /nfs/dbraw/zinc/82/90/96/400829096.db2.gz UECVEMLQEBUKDT-OAHLLOKOSA-N 1 0 305.466 3.230 10 0 DGAERO CSCCCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000172505663 400830767 /nfs/dbraw/zinc/83/07/67/400830767.db2.gz STFGKLPVYMNCRS-UHFFFAOYSA-N 1 0 306.475 3.042 10 0 DGAERO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000172521364 400831497 /nfs/dbraw/zinc/83/14/97/400831497.db2.gz YCAMLVMHEUVUMF-INIZCTEOSA-N 1 0 310.388 3.216 10 0 DGAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1ccccc1Br ZINC000054685593 400835406 /nfs/dbraw/zinc/83/54/06/400835406.db2.gz SVQRXVUBJQPARW-LSDHHAIUSA-N 1 0 306.203 3.053 10 0 DGAERO COCCCC[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000605150277 400842635 /nfs/dbraw/zinc/84/26/35/400842635.db2.gz YICHIOUBMHBJLC-MRXNPFEDSA-N 1 0 302.462 3.329 10 0 DGAERO CC(C)[C@@H]1CN(c2cnc3cccc(C(F)(F)F)c3n2)CC[NH2+]1 ZINC000217837950 400950951 /nfs/dbraw/zinc/95/09/51/400950951.db2.gz ZQAVRCXNXFDDHB-ZDUSSCGKSA-N 1 0 324.350 3.083 10 0 DGAERO CCC1CCC(NC(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000079954040 400908760 /nfs/dbraw/zinc/90/87/60/400908760.db2.gz KYIHVCZABHCXCN-UHFFFAOYSA-N 1 0 309.498 3.375 10 0 DGAERO CC(C)=CC[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190517781 400910727 /nfs/dbraw/zinc/91/07/27/400910727.db2.gz RCIUIRLIRAJUHJ-MRXNPFEDSA-N 1 0 310.482 3.081 10 0 DGAERO CCC1=[N+]([O-])[C@](C)(c2ccc(C)cc2)[N+](O)=C1c1ccccc1 ZINC000606446680 400914457 /nfs/dbraw/zinc/91/44/57/400914457.db2.gz ZLNXPHJSECBUBV-IBGZPJMESA-N 1 0 310.397 3.325 10 0 DGAERO Fc1ccc(I)cc1[C@@H]1CCCC[NH2+]1 ZINC000238642452 400998993 /nfs/dbraw/zinc/99/89/93/400998993.db2.gz GKHCFCGKMFTISQ-NSHDSACASA-N 1 0 305.134 3.245 10 0 DGAERO CC(C)C(=O)N[C@@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000080975752 401011708 /nfs/dbraw/zinc/01/17/08/401011708.db2.gz RSYFXDMKLWLHSE-CQSZACIVSA-N 1 0 315.392 3.115 10 0 DGAERO c1ccc2c(c1)C=C(CNc1ccc([C@@H]3C[NH2+]CCO3)cc1)CO2 ZINC000629649833 401016878 /nfs/dbraw/zinc/01/68/78/401016878.db2.gz HVZLRWQWZMLLJS-FQEVSTJZSA-N 1 0 322.408 3.235 10 0 DGAERO [O-][N+]1=C(c2ccccc2)C(c2ccccc2)=[N+](O)[C@H]2CCCC[C@@H]21 ZINC000225397946 400956677 /nfs/dbraw/zinc/95/66/77/400956677.db2.gz FCDVGFKUJXQJGY-ROUUACIJSA-N 1 0 322.408 3.093 10 0 DGAERO CCC1=[N+]([O-])[C@@](C)(c2ccc(F)cc2)[N+](O)=C1c1ccccc1 ZINC000225403549 400957081 /nfs/dbraw/zinc/95/70/81/400957081.db2.gz LWWOATDYVKGRQZ-GOSISDBHSA-N 1 0 314.360 3.156 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000247283191 401050105 /nfs/dbraw/zinc/05/01/05/401050105.db2.gz GAVMRCCPARGTSE-SJLPKXTDSA-N 1 0 302.462 3.116 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@@H]3CCCC[C@H]3C)CC2)nn1 ZINC000248441444 401071103 /nfs/dbraw/zinc/07/11/03/401071103.db2.gz AAPGKFFFVWLEKA-WBVHZDCISA-N 1 0 302.466 3.123 10 0 DGAERO CC[NH+](CC)CCCN1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000249101349 401081793 /nfs/dbraw/zinc/08/17/93/401081793.db2.gz UUFPUTKUQGWCDO-CRAIPNDOSA-N 1 0 308.441 3.319 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000247030578 401043500 /nfs/dbraw/zinc/04/35/00/401043500.db2.gz PFIPTKYPEMBPAQ-FGTMMUONSA-N 1 0 300.446 3.076 10 0 DGAERO CC[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C)cc1 ZINC000247064774 401044452 /nfs/dbraw/zinc/04/44/52/401044452.db2.gz MHDUCQNXCZYBDV-WMZOPIPTSA-N 1 0 300.446 3.185 10 0 DGAERO O=C(NCc1ccc2ccccc2c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262411002 401116656 /nfs/dbraw/zinc/11/66/56/401116656.db2.gz DGRGETJHUMAURZ-OTWHNJEPSA-N 1 0 308.425 3.377 10 0 DGAERO CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262463919 401117488 /nfs/dbraw/zinc/11/74/88/401117488.db2.gz LKKZFPXWERUHMZ-XYPHTWIQSA-N 1 0 312.413 3.312 10 0 DGAERO CC(C)N(C)c1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262671070 401120510 /nfs/dbraw/zinc/12/05/10/401120510.db2.gz OAQGOQFTTDCGPA-OLMNPRSZSA-N 1 0 315.461 3.390 10 0 DGAERO c1ccc([C@@H]2C[N@@H+](CCOC3CCOCC3)[C@@H]3CCC[C@H]23)cc1 ZINC000625424324 401124869 /nfs/dbraw/zinc/12/48/69/401124869.db2.gz IFGWQSHSXXMIJZ-HSALFYBXSA-N 1 0 315.457 3.450 10 0 DGAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000252667194 401096915 /nfs/dbraw/zinc/09/69/15/401096915.db2.gz GPHROWHXICOFLT-YPMHNXCESA-N 1 0 317.260 3.365 10 0 DGAERO CC(C)n1cc([C@@H](C)[NH2+]CC[C@@H]2COc3ccccc3O2)cn1 ZINC000358270558 286017096 /nfs/dbraw/zinc/01/70/96/286017096.db2.gz WKNQVIFVSGNRGV-GDBMZVCRSA-N 1 0 315.417 3.345 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(-n2cncn2)cc1 ZINC000358287164 286020877 /nfs/dbraw/zinc/02/08/77/286020877.db2.gz ALICWRABSLQROT-OCCSQVGLSA-N 1 0 306.360 3.496 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1cncc(F)c1 ZINC000358293240 286022450 /nfs/dbraw/zinc/02/24/50/286022450.db2.gz XWCOHIFXAQWXIE-IUODEOHRSA-N 1 0 302.349 3.101 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)C2)cc1 ZINC000630074820 401177697 /nfs/dbraw/zinc/17/76/97/401177697.db2.gz SOTLWTSICACMAP-NSISKUIASA-N 1 0 314.473 3.450 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)[nH]n1 ZINC000358317090 286029911 /nfs/dbraw/zinc/02/99/11/286029911.db2.gz KFNPRJJCGCSRNW-ZSZQSSIHSA-N 1 0 313.445 3.407 10 0 DGAERO c1cc(COc2ccc(OCC[NH+]3CCCCC3)cc2)on1 ZINC000063457379 401193843 /nfs/dbraw/zinc/19/38/43/401193843.db2.gz VHPSKCOIMDLALB-UHFFFAOYSA-N 1 0 302.374 3.118 10 0 DGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000608359050 401232550 /nfs/dbraw/zinc/23/25/50/401232550.db2.gz GRZIEQFMXSLSLM-IIAWOOMASA-N 1 0 322.399 3.057 10 0 DGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc(Cl)sc1Cl)C2 ZINC000634749275 401343988 /nfs/dbraw/zinc/34/39/88/401343988.db2.gz MDODPKATPGNILE-BETUJISGSA-N 1 0 319.257 3.127 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000066162146 401294748 /nfs/dbraw/zinc/29/47/48/401294748.db2.gz CJBQRWVWFRSJJD-YOEHRIQHSA-N 1 0 317.433 3.096 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CCCc2ccccn2)c2ccccc21 ZINC000621756961 401296452 /nfs/dbraw/zinc/29/64/52/401296452.db2.gz XPOFIXBJDGZURU-SFHVURJKSA-N 1 0 309.413 3.102 10 0 DGAERO c1c(C[C@@H]2CC[NH2+]C2)nnn1C1c2ccccc2-c2ccccc21 ZINC000630605447 401297272 /nfs/dbraw/zinc/29/72/72/401297272.db2.gz ZHDUALURGOFBOT-AWEZNQCLSA-N 1 0 316.408 3.048 10 0 DGAERO c1cc(CN2CCOCC2)cc(C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000626115063 401303556 /nfs/dbraw/zinc/30/35/56/401303556.db2.gz FGVMVUWVJGBIHY-UHFFFAOYSA-N 1 0 314.473 3.285 10 0 DGAERO Cc1ccc(S[C@H](C)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261805814 292189792 /nfs/dbraw/zinc/18/97/92/292189792.db2.gz MXMVUGCAPCPIHM-KFWWJZLASA-N 1 0 306.475 3.061 10 0 DGAERO c1cc(C[NH2+]CCc2c[nH]c3ccccc23)n(CC2CCC2)n1 ZINC000631029883 401373436 /nfs/dbraw/zinc/37/34/36/401373436.db2.gz HRAVWMHBACFKJH-UHFFFAOYSA-N 1 0 308.429 3.497 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)n(CC2CCC2)n1 ZINC000631172011 401414605 /nfs/dbraw/zinc/41/46/05/401414605.db2.gz VCLYVUKXMFZTRZ-KRWDZBQOSA-N 1 0 303.450 3.265 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1cccc(Cl)c1 ZINC000634952894 401387229 /nfs/dbraw/zinc/38/72/29/401387229.db2.gz LQLSHVVRHSYFDI-HUUCEWRRSA-N 1 0 315.866 3.348 10 0 DGAERO O=S1(=O)CCC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000634957736 401388571 /nfs/dbraw/zinc/38/85/71/401388571.db2.gz WLANBSGVZSITDY-SNVBAGLBSA-N 1 0 322.257 3.050 10 0 DGAERO CC(C)C1CCC(C[NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634969051 401391376 /nfs/dbraw/zinc/39/13/76/401391376.db2.gz DJTNLVKTBMWNGS-GPANFISMSA-N 1 0 301.496 3.006 10 0 DGAERO c1cnc2cc(C[NH2+]C[C@H]3CCN3C3CCCCC3)ccc2n1 ZINC000634986960 401396122 /nfs/dbraw/zinc/39/61/22/401396122.db2.gz IQXDYMIFVGEYLS-QGZVFWFLSA-N 1 0 310.445 3.126 10 0 DGAERO Brc1ccc(C2(NCC34CC(C3)C[NH2+]4)CCC2)cc1 ZINC000634993469 401397782 /nfs/dbraw/zinc/39/77/82/401397782.db2.gz VTGOLIXOBOIWIM-UHFFFAOYSA-N 1 0 321.262 3.170 10 0 DGAERO c1ccc2sc([C@H]3CCCN(CC45CC(C4)C[NH2+]5)C3)nc2c1 ZINC000634993819 401397946 /nfs/dbraw/zinc/39/79/46/401397946.db2.gz HIBQUUPTFBRAFQ-FVRSWCFKSA-N 1 0 313.470 3.228 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3cscn3)[C@H]21 ZINC000631191302 401421044 /nfs/dbraw/zinc/42/10/44/401421044.db2.gz FTYCVXBXBPULAX-YUTCNCBUSA-N 1 0 321.243 3.334 10 0 DGAERO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(Br)s1 ZINC000631215940 401428966 /nfs/dbraw/zinc/42/89/66/401428966.db2.gz IDXKCDWMKXKPNB-BQBZGAKWSA-N 1 0 314.195 3.177 10 0 DGAERO c1nc(C2CC2)ncc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000631244782 401436390 /nfs/dbraw/zinc/43/63/90/401436390.db2.gz DTQJXZWRQZUTQL-INIZCTEOSA-N 1 0 301.434 3.183 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000631252769 401438464 /nfs/dbraw/zinc/43/84/64/401438464.db2.gz CYKPSFNCSAIXAF-RBUKOAKNSA-N 1 0 311.429 3.310 10 0 DGAERO C([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)c1nc2c(s1)CCCC2 ZINC000631256733 401438895 /nfs/dbraw/zinc/43/88/95/401438895.db2.gz WMWXKHSKRPUHDL-WMLDXEAASA-N 1 0 306.475 3.459 10 0 DGAERO c1cnn(-c2cccc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)c2)c1 ZINC000631256989 401439672 /nfs/dbraw/zinc/43/96/72/401439672.db2.gz YSFNYCNUWOPZHJ-RTBURBONSA-N 1 0 311.429 3.310 10 0 DGAERO Cn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000623085176 401463090 /nfs/dbraw/zinc/46/30/90/401463090.db2.gz RWRAWHLQADLYLL-GDBMZVCRSA-N 1 0 313.426 3.255 10 0 DGAERO Cc1cc(C)c(NC(=O)NCC[N@H+]2CC=C(C)CC2)c(C)c1 ZINC000358449094 286066268 /nfs/dbraw/zinc/06/62/68/286066268.db2.gz CPXKHYRXDKVXCM-UHFFFAOYSA-N 1 0 301.434 3.385 10 0 DGAERO c1ccc2c(CC[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)ccnc2c1 ZINC000631646381 401522659 /nfs/dbraw/zinc/52/26/59/401522659.db2.gz IAZTXORDLXZHRD-WDSOQIARSA-N 1 0 308.425 3.325 10 0 DGAERO c1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CCN(c3ccccc3)C2)cc1 ZINC000631654369 401525167 /nfs/dbraw/zinc/52/51/67/401525167.db2.gz YVXKZOSSPWUYJQ-SXLOBPIMSA-N 1 0 308.425 3.385 10 0 DGAERO OC1CCC([NH2+][C@@H]2CCCCCN(Cc3ccccc3)C2)CC1 ZINC000631678295 401532691 /nfs/dbraw/zinc/53/26/91/401532691.db2.gz BZDJJUVIQLDIKN-IOJLRTSASA-N 1 0 316.489 3.324 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000358434970 286061767 /nfs/dbraw/zinc/06/17/67/286061767.db2.gz KHJZYIJHLFTVQI-UHFFFAOYSA-N 1 0 311.788 3.253 10 0 DGAERO Brc1cc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)cs1 ZINC000631887257 401563744 /nfs/dbraw/zinc/56/37/44/401563744.db2.gz MQFDOUUVQOJIEN-VXGBXAGGSA-N 1 0 315.280 3.085 10 0 DGAERO CN1CCOC[C@H]1C[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000623710389 401570890 /nfs/dbraw/zinc/57/08/90/401570890.db2.gz BCUGOHLVRRVMQN-SECBINFHSA-N 1 0 323.651 3.067 10 0 DGAERO c1nc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)sc1-c1ccccc1 ZINC000623754084 401576619 /nfs/dbraw/zinc/57/66/19/401576619.db2.gz IYTRTIFMCSQYFY-HUUCEWRRSA-N 1 0 300.427 3.467 10 0 DGAERO c1nc(C2CC2)oc1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000628321602 401576770 /nfs/dbraw/zinc/57/67/70/401576770.db2.gz QPVYALOXURJKCV-ZDUSSCGKSA-N 1 0 302.399 3.195 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000628336875 401578031 /nfs/dbraw/zinc/57/80/31/401578031.db2.gz RCSNZNVGOPCQCN-HUUCEWRRSA-N 1 0 301.496 3.007 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000623823041 401583624 /nfs/dbraw/zinc/58/36/24/401583624.db2.gz KOWRCMLLKUZRSI-PHIMTYICSA-N 1 0 302.187 3.103 10 0 DGAERO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CCN1C1CCC1 ZINC000623840153 401586156 /nfs/dbraw/zinc/58/61/56/401586156.db2.gz QKJFYOSOHZOXCB-CQSZACIVSA-N 1 0 313.228 3.236 10 0 DGAERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Br)cs1 ZINC000631703583 401540855 /nfs/dbraw/zinc/54/08/55/401540855.db2.gz UBPANFZUNFVRHM-POYBYMJQSA-N 1 0 314.195 3.177 10 0 DGAERO FC(F)(F)c1sccc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000623564559 401547540 /nfs/dbraw/zinc/54/75/40/401547540.db2.gz JDFFKHZWQBVUJZ-QMMMGPOBSA-N 1 0 301.280 3.281 10 0 DGAERO CC(C)(C)[N@@H+]1CC[C@H](NCc2ccsc2Br)C1 ZINC000623563432 401547640 /nfs/dbraw/zinc/54/76/40/401547640.db2.gz YAYRDSJQOLBDAA-NSHDSACASA-N 1 0 317.296 3.473 10 0 DGAERO FC1(F)C[C@@H]1OCC[NH2+]Cc1ccsc1Br ZINC000623564692 401547669 /nfs/dbraw/zinc/54/76/69/401547669.db2.gz NQWHCGPCHNRHNP-QMMMGPOBSA-N 1 0 312.179 3.024 10 0 DGAERO OC(C[NH2+]Cc1c(F)ccc(F)c1Cl)(C1CC1)C1CC1 ZINC000623571064 401549056 /nfs/dbraw/zinc/54/90/56/401549056.db2.gz LDUZBACAWJHFRA-UHFFFAOYSA-N 1 0 301.764 3.259 10 0 DGAERO O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632854793 401632056 /nfs/dbraw/zinc/63/20/56/401632056.db2.gz LPAYHGYXWBZXND-HZMBPMFUSA-N 1 0 313.228 3.208 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000632890034 401635550 /nfs/dbraw/zinc/63/55/50/401635550.db2.gz CAHJCZVVTBDJMZ-RKDXNWHRSA-N 1 0 302.205 3.052 10 0 DGAERO c1c2ccccc2[nH]c1CN1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000628474300 401603622 /nfs/dbraw/zinc/60/36/22/401603622.db2.gz SQFDYQITMHUGIK-HNNXBMFYSA-N 1 0 315.486 3.039 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000624310348 401649293 /nfs/dbraw/zinc/64/92/93/401649293.db2.gz AGOLJPLTHDYHQV-RWSFTLGLSA-N 1 0 310.235 3.451 10 0 DGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncc(Br)cc1F ZINC000624384232 401657251 /nfs/dbraw/zinc/65/72/51/401657251.db2.gz JZAZYSMIKHEXGX-JTQLQIEISA-N 1 0 316.218 3.268 10 0 DGAERO C[C@@H](CSc1nnc(Cc2cccs2)n1C1CC1)[NH+](C)C ZINC000358850039 286169118 /nfs/dbraw/zinc/16/91/18/286169118.db2.gz FUTWCGRXLRVDPZ-NSHDSACASA-N 1 0 322.503 3.308 10 0 DGAERO CC(=O)c1cccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC000358895044 286180017 /nfs/dbraw/zinc/18/00/17/286180017.db2.gz AXPIEKKTMODPHS-UHFFFAOYSA-N 1 0 302.418 3.340 10 0 DGAERO c1cnn(CCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000358942199 286193575 /nfs/dbraw/zinc/19/35/75/286193575.db2.gz MXJSLXUYZJRCGK-SFHVURJKSA-N 1 0 321.428 3.126 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2NCCC[NH+]1CCCC1 ZINC000358944043 286194374 /nfs/dbraw/zinc/19/43/74/286194374.db2.gz OXYTWPQGMPGGGN-LJQANCHMSA-N 1 0 324.472 3.325 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1c(F)cccc1SC ZINC000359093579 286235513 /nfs/dbraw/zinc/23/55/13/286235513.db2.gz JHCTVPSJNAITJF-CQSZACIVSA-N 1 0 310.438 3.038 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c(C)c1 ZINC000261971981 292245821 /nfs/dbraw/zinc/24/58/21/292245821.db2.gz QFZJEJNOPYCITD-IDCNUPLLSA-N 1 0 300.446 3.401 10 0 DGAERO Cc1ccncc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000359193677 286258603 /nfs/dbraw/zinc/25/86/03/286258603.db2.gz KYNVAMXUSBYGPZ-KRWDZBQOSA-N 1 0 315.461 3.118 10 0 DGAERO Cn1ccc([C@@H]([NH2+]CCC2CCOCC2)c2ccc(F)cc2)n1 ZINC000359224181 286264360 /nfs/dbraw/zinc/26/43/60/286264360.db2.gz SGRZOTIUAKWVJX-SFHVURJKSA-N 1 0 317.408 3.055 10 0 DGAERO O[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)C(F)F ZINC000359326219 286284803 /nfs/dbraw/zinc/28/48/03/286284803.db2.gz USIMXFUQOIEHAP-NWDGAFQWSA-N 1 0 320.177 3.116 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)CSc2ccc(F)cc2)CC1 ZINC000359467433 286314568 /nfs/dbraw/zinc/31/45/68/286314568.db2.gz BCXWOWFPJKNHAG-UHFFFAOYSA-N 1 0 324.465 3.156 10 0 DGAERO CC[C@](C)(OC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000359556670 286335344 /nfs/dbraw/zinc/33/53/44/286335344.db2.gz FLHLEZIEHQLMKU-LXZKKBNFSA-N 1 0 324.490 3.062 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H]2CCCCO2)c1 ZINC000248258532 286343531 /nfs/dbraw/zinc/34/35/31/286343531.db2.gz UORBGIYWFXPSSN-WBVHZDCISA-N 1 0 305.418 3.410 10 0 DGAERO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c(C)c1 ZINC000071790455 286362855 /nfs/dbraw/zinc/36/28/55/286362855.db2.gz MJMUMGUSLIDKJG-HOTGVXAUSA-N 1 0 320.433 3.055 10 0 DGAERO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ncc(Br)s2)CCO1 ZINC000359945268 286394200 /nfs/dbraw/zinc/39/42/00/286394200.db2.gz DLZIWJDAQAVGRF-ZJUUUORDSA-N 1 0 319.268 3.199 10 0 DGAERO COCCC1(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000297345709 292306653 /nfs/dbraw/zinc/30/66/53/292306653.db2.gz DXNUSIHJBBZVGT-UHFFFAOYSA-N 1 0 319.474 3.488 10 0 DGAERO Cc1ccc2c(c1)CN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC000361337251 292320568 /nfs/dbraw/zinc/32/05/68/292320568.db2.gz QNBXANWVSFGQGF-UHFFFAOYSA-N 1 0 300.446 3.349 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000360729799 286527774 /nfs/dbraw/zinc/52/77/74/286527774.db2.gz RYQZDFNMIXPBCT-GOEBONIOSA-N 1 0 315.442 3.252 10 0 DGAERO C/C(=C\C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000360775840 286533249 /nfs/dbraw/zinc/53/32/49/286533249.db2.gz MSTAXQNAMZEAQN-XJDANCFSSA-N 1 0 318.848 3.485 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc2c1OCO2 ZINC000360964740 286563966 /nfs/dbraw/zinc/56/39/66/286563966.db2.gz XIOIPABCHUVFGG-HRCADAONSA-N 1 0 303.402 3.100 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)CCCO2 ZINC000178182293 292368366 /nfs/dbraw/zinc/36/83/66/292368366.db2.gz YEBAISSLEFOQGH-QGZVFWFLSA-N 1 0 310.397 3.097 10 0 DGAERO c1[nH]c(C[NH2+][C@@H]2CCN(c3ccccc3)C2)nc1-c1ccccc1 ZINC000361956543 286750772 /nfs/dbraw/zinc/75/07/72/286750772.db2.gz FBKOYRCYKVVTRH-QGZVFWFLSA-N 1 0 318.424 3.445 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2csc3ccccc23)C1 ZINC000362526356 286822885 /nfs/dbraw/zinc/82/28/85/286822885.db2.gz ZLXDVWYHSLKKDW-OAHLLOKOSA-N 1 0 316.470 3.387 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)N1CCc2ccccc2C1 ZINC000172170862 287062587 /nfs/dbraw/zinc/06/25/87/287062587.db2.gz BRMBCAHRZPLQMW-HUUCEWRRSA-N 1 0 300.446 3.128 10 0 DGAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[C@@H](OC)C1 ZINC000364847741 287067155 /nfs/dbraw/zinc/06/71/55/287067155.db2.gz JXSHMPQMJAWJFJ-ZWKOTPCHSA-N 1 0 312.413 3.414 10 0 DGAERO CC[NH+](CC)CCCNC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000170569548 164613556 /nfs/dbraw/zinc/61/35/56/164613556.db2.gz JMEAIWZNPGEDGQ-UHFFFAOYSA-N 1 0 318.461 3.114 10 0 DGAERO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCC2(C)CCC2)CC1 ZINC000174991371 164745387 /nfs/dbraw/zinc/74/53/87/164745387.db2.gz GQRYSASPXKGXHY-UHFFFAOYSA-N 1 0 319.449 3.076 10 0 DGAERO COCCC[C@H](C)[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000177762794 164814775 /nfs/dbraw/zinc/81/47/75/164814775.db2.gz RICOVQGTVHKMJN-NSHDSACASA-N 1 0 303.349 3.201 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000179136170 164852776 /nfs/dbraw/zinc/85/27/76/164852776.db2.gz DYZDAIRVJMUJOT-UHFFFAOYSA-N 1 0 318.804 3.424 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)CC2 ZINC000180169748 164876131 /nfs/dbraw/zinc/87/61/31/164876131.db2.gz ZZESLTGSVYLTDV-SJLPKXTDSA-N 1 0 310.445 3.457 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2c(C)nn(C)c2C)C12CCCCC2 ZINC000181440861 164913303 /nfs/dbraw/zinc/91/33/03/164913303.db2.gz SKKUGUHOOKOMCG-ZWKOTPCHSA-N 1 0 319.493 3.297 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)c2ccc(F)cc2C1 ZINC000185350924 165001894 /nfs/dbraw/zinc/00/18/94/165001894.db2.gz JNUYUQRQLOZCHO-IBGZPJMESA-N 1 0 312.388 3.409 10 0 DGAERO Cc1ccc(-c2cncc(C(=O)N[C@@H]3CCCC[C@@H]3[NH3+])c2)cc1 ZINC000185498275 165005928 /nfs/dbraw/zinc/00/59/28/165005928.db2.gz CIJURSUIGPFDLS-ZWKOTPCHSA-N 1 0 309.413 3.057 10 0 DGAERO COc1ccc(OCC[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc1 ZINC000185640437 165011275 /nfs/dbraw/zinc/01/12/75/165011275.db2.gz DGGSGYRSFFOBLB-KBXCAEBGSA-N 1 0 313.397 3.228 10 0 DGAERO COC(=O)c1oc(CN2Cc3ccccc3C3(CC3)C2)cc1C ZINC000186226743 165033871 /nfs/dbraw/zinc/03/38/71/165033871.db2.gz LVXLNGZPAUXJJR-UHFFFAOYSA-N 1 0 311.381 3.422 10 0 DGAERO COc1ccc(C[C@H](C)C[N@@H+]2CCCN(C3CC3)CC2)cc1F ZINC000186318900 165037500 /nfs/dbraw/zinc/03/75/00/165037500.db2.gz PHULYDZZQROEAH-HNNXBMFYSA-N 1 0 320.452 3.183 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)C12CCOCC2 ZINC000186389254 165040708 /nfs/dbraw/zinc/04/07/08/165040708.db2.gz ROWIPJQMSHYFDA-HZPDHXFCSA-N 1 0 311.372 3.029 10 0 DGAERO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186522337 165048604 /nfs/dbraw/zinc/04/86/04/165048604.db2.gz JRGYFNBTPRKJRU-VBNZEHGJSA-N 1 0 318.848 3.187 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186551880 165050438 /nfs/dbraw/zinc/05/04/38/165050438.db2.gz OXAAHAGLCLOZIR-NSHDSACASA-N 1 0 324.877 3.419 10 0 DGAERO C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1CCOCC1 ZINC000186817636 165061765 /nfs/dbraw/zinc/06/17/65/165061765.db2.gz MPACHGCJTCGTKE-MRXNPFEDSA-N 1 0 324.509 3.210 10 0 DGAERO CN(Cc1ncc(-c2cccc(F)c2)o1)CC1([NH+](C)C)CCC1 ZINC000186931577 165067595 /nfs/dbraw/zinc/06/75/95/165067595.db2.gz RNNGBLQDWQVDNI-UHFFFAOYSA-N 1 0 317.408 3.397 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(Cl)cc1F ZINC000187041483 165072893 /nfs/dbraw/zinc/07/28/93/165072893.db2.gz LIKCSVNABKHBGW-NSHDSACASA-N 1 0 315.820 3.009 10 0 DGAERO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000187181794 165080714 /nfs/dbraw/zinc/08/07/14/165080714.db2.gz YFRVJMRWBZPOQU-ACJLOTCBSA-N 1 0 323.383 3.165 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc2c1OCC2 ZINC000365053477 287091650 /nfs/dbraw/zinc/09/16/50/287091650.db2.gz KIFNPCCNHOBFHT-CEXWTWQISA-N 1 0 315.457 3.349 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCCc3ccccc3)[C@@H]2C1 ZINC000187330578 165086698 /nfs/dbraw/zinc/08/66/98/165086698.db2.gz WRJAGYFJSPBELT-QRVBRYPASA-N 1 0 303.446 3.278 10 0 DGAERO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)C1CCSCC1 ZINC000187387584 165089314 /nfs/dbraw/zinc/08/93/14/165089314.db2.gz ZMNIAWQDNMJZJW-VIFPVBQESA-N 1 0 307.385 3.060 10 0 DGAERO C[C@@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cnccn1 ZINC000187570890 165095601 /nfs/dbraw/zinc/09/56/01/165095601.db2.gz OASAJEXPHZNVMZ-VQIMIIECSA-N 1 0 310.445 3.182 10 0 DGAERO OCCC1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000188076007 165111082 /nfs/dbraw/zinc/11/10/82/165111082.db2.gz KOTOCDNPSHXWST-UHFFFAOYSA-N 1 0 322.880 3.057 10 0 DGAERO CN(C)c1ccccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188056089 165111361 /nfs/dbraw/zinc/11/13/61/165111361.db2.gz JPQQXKZPAYRVAV-IRXDYDNUSA-N 1 0 316.470 3.022 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)Cc1ccccc1F)CC2 ZINC000188184524 165114932 /nfs/dbraw/zinc/11/49/32/165114932.db2.gz CEGJIVUGJFHUFV-DZGCQCFKSA-N 1 0 316.424 3.076 10 0 DGAERO CO[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1C ZINC000188300814 165119508 /nfs/dbraw/zinc/11/95/08/165119508.db2.gz VOYPKVUONCSXOC-JSGCOSHPSA-N 1 0 305.447 3.005 10 0 DGAERO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)CC1CCCC1)CC2 ZINC000188634069 165130277 /nfs/dbraw/zinc/13/02/77/165130277.db2.gz VAKSLJSEKPRHMN-QGZVFWFLSA-N 1 0 319.445 3.003 10 0 DGAERO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000189290006 165155592 /nfs/dbraw/zinc/15/55/92/165155592.db2.gz POLVTDJRGDMSLH-HNNXBMFYSA-N 1 0 313.376 3.071 10 0 DGAERO c1ccc(NCCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)nc1 ZINC000365074953 287094517 /nfs/dbraw/zinc/09/45/17/287094517.db2.gz XRCPGIGYCFGIRE-YESZJQIVSA-N 1 0 303.450 3.069 10 0 DGAERO O[C@H](C[NH+]1CCC(Nc2ccccc2F)CC1)CC(F)(F)F ZINC000189691617 165172751 /nfs/dbraw/zinc/17/27/51/165172751.db2.gz NTBITUWZURGENH-LBPRGKRZSA-N 1 0 320.330 3.015 10 0 DGAERO Cc1cccc2nc(C3CC[NH+](CCCCCO)CC3)oc21 ZINC000189807819 165178567 /nfs/dbraw/zinc/17/85/67/165178567.db2.gz JDZRGNIEWYVETK-UHFFFAOYSA-N 1 0 302.418 3.478 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H](O)CC(F)(F)F)C2)c1 ZINC000189925186 165181557 /nfs/dbraw/zinc/18/15/57/165181557.db2.gz USLSNVLQEUEABK-UKRRQHHQSA-N 1 0 301.352 3.406 10 0 DGAERO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2cncc(C)c2)C1 ZINC000189968157 165184758 /nfs/dbraw/zinc/18/47/58/165184758.db2.gz ILVOZMYSGKOMLZ-OALUTQOASA-N 1 0 324.424 3.169 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000190020550 165186519 /nfs/dbraw/zinc/18/65/19/165186519.db2.gz JWQGVYHMYAVYGP-AWEZNQCLSA-N 1 0 321.465 3.176 10 0 DGAERO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H](O)C1CCCCC1 ZINC000190317454 165197551 /nfs/dbraw/zinc/19/75/51/165197551.db2.gz CRSIVYBUVRFCCX-IBGZPJMESA-N 1 0 313.445 3.245 10 0 DGAERO c1csc(Cn2cccc2C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000190329398 165198791 /nfs/dbraw/zinc/19/87/91/165198791.db2.gz DPKQFMXWSKXPTN-ZACQAIPSSA-N 1 0 302.443 3.255 10 0 DGAERO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000190693427 165212482 /nfs/dbraw/zinc/21/24/82/165212482.db2.gz AMUZZZOOAZXBIK-GVDBMIGSSA-N 1 0 307.434 3.109 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000191071309 165229770 /nfs/dbraw/zinc/22/97/70/165229770.db2.gz PKJXDXDLWAWJEK-QGZVFWFLSA-N 1 0 320.502 3.301 10 0 DGAERO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCCN(C)C(=O)C1 ZINC000191149421 165233454 /nfs/dbraw/zinc/23/34/54/165233454.db2.gz SKTMAERGQMGJCK-SNVBAGLBSA-N 1 0 301.217 3.219 10 0 DGAERO CCc1cnc(CC[NH2+]Cc2ccc(N(C)C(C)C)nc2)s1 ZINC000191229506 165237309 /nfs/dbraw/zinc/23/73/09/165237309.db2.gz JCBXHKOSKCGBES-UHFFFAOYSA-N 1 0 318.490 3.277 10 0 DGAERO CCN(C)c1ccc(C[N@H+](C)CCc2ccc(F)cc2)cn1 ZINC000191262010 165240176 /nfs/dbraw/zinc/24/01/76/165240176.db2.gz DPISBQROAAPGLF-UHFFFAOYSA-N 1 0 301.409 3.351 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1csc(Cl)c1)CC2 ZINC000191357505 165246183 /nfs/dbraw/zinc/24/61/83/165246183.db2.gz DZJMMLJUHNDAFP-KOLCDFICSA-N 1 0 310.854 3.221 10 0 DGAERO CCCn1cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)cn1 ZINC000191715083 165266544 /nfs/dbraw/zinc/26/65/44/165266544.db2.gz KWZHYFZEHYCOPA-VQIMIIECSA-N 1 0 315.461 3.013 10 0 DGAERO COc1ccc(Cl)c(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000191978577 165276720 /nfs/dbraw/zinc/27/67/20/165276720.db2.gz COJDPYGZFOFBFP-UHFFFAOYSA-N 1 0 319.836 3.462 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)C2)n1 ZINC000191977730 165277240 /nfs/dbraw/zinc/27/72/40/165277240.db2.gz FJHXXFZTWNGTRX-KGLIPLIRSA-N 1 0 320.458 3.117 10 0 DGAERO O=C1[C@@H]([NH2+]Cc2sccc2Cl)CCCN1c1cccnc1 ZINC000193207763 165320513 /nfs/dbraw/zinc/32/05/13/165320513.db2.gz KPQQBRKHYFBYJA-ZDUSSCGKSA-N 1 0 321.833 3.082 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193328381 165322450 /nfs/dbraw/zinc/32/24/50/165322450.db2.gz DRSPXPSQPVYDLP-AWEZNQCLSA-N 1 0 312.413 3.309 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(COC(C)C)cc2)C1 ZINC000194418443 165344589 /nfs/dbraw/zinc/34/45/89/165344589.db2.gz ALBPWLAWPVSIBL-KRWDZBQOSA-N 1 0 319.449 3.217 10 0 DGAERO COc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1Cl ZINC000194372754 165344779 /nfs/dbraw/zinc/34/47/79/165344779.db2.gz DLNMEEVDBYVSPZ-WCQYABFASA-N 1 0 323.824 3.049 10 0 DGAERO CCC1(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000194437993 165346708 /nfs/dbraw/zinc/34/67/08/165346708.db2.gz WVRWUQOAFKASEI-QGZVFWFLSA-N 1 0 315.461 3.140 10 0 DGAERO Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194517929 165348020 /nfs/dbraw/zinc/34/80/20/165348020.db2.gz ZXWAYCUQJYLAHQ-CQSZACIVSA-N 1 0 309.413 3.380 10 0 DGAERO O=C(c1csc2ccccc12)N1CCC[N@@H+](C2CC2)CC1 ZINC000194504424 165348390 /nfs/dbraw/zinc/34/83/90/165348390.db2.gz DIIRFYDMYVENSV-UHFFFAOYSA-N 1 0 300.427 3.212 10 0 DGAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N(C)Cc1ccccc1 ZINC000194518462 165348964 /nfs/dbraw/zinc/34/89/64/165348964.db2.gz BAZSRTFXLPJMLG-OAHLLOKOSA-N 1 0 323.440 3.091 10 0 DGAERO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195324319 165364944 /nfs/dbraw/zinc/36/49/44/165364944.db2.gz MKEILWOUODYGQC-KGLIPLIRSA-N 1 0 323.506 3.324 10 0 DGAERO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195330689 165365431 /nfs/dbraw/zinc/36/54/31/165365431.db2.gz ONJJSBKBPVSHRL-HNNXBMFYSA-N 1 0 323.506 3.280 10 0 DGAERO Cc1cccc2nc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)cn21 ZINC000195340076 165367019 /nfs/dbraw/zinc/36/70/19/165367019.db2.gz XRMVUWARBYRENL-CQSZACIVSA-N 1 0 312.442 3.479 10 0 DGAERO CCc1csc([C@@H]2CCCN(Cc3nc(C4CC4)no3)C2)n1 ZINC000195377492 165368775 /nfs/dbraw/zinc/36/87/75/165368775.db2.gz KIAOFADDXJECAB-GFCCVEGCSA-N 1 0 318.446 3.346 10 0 DGAERO CCc1csc([C@H]2CCCN([C@@H](C)C(=O)NCC(C)C)C2)n1 ZINC000195379482 165369189 /nfs/dbraw/zinc/36/91/89/165369189.db2.gz SDCDLENJQJWNRS-KBPBESRZSA-N 1 0 323.506 3.046 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](Cc3cn4ccccc4n3)C2)n1 ZINC000195441244 165370227 /nfs/dbraw/zinc/37/02/27/165370227.db2.gz AAVRADJMSLCQLC-AWEZNQCLSA-N 1 0 312.442 3.479 10 0 DGAERO CC(C)c1nc([C@@H]2CCCN2Cc2cn3ccccc3n2)no1 ZINC000195439023 165370409 /nfs/dbraw/zinc/37/04/09/165370409.db2.gz MZOHEZLMBLOIGE-AWEZNQCLSA-N 1 0 311.389 3.178 10 0 DGAERO CCn1cc(C2CC[NH+](CCCOCC(F)(F)F)CC2)cn1 ZINC000195500949 165371708 /nfs/dbraw/zinc/37/17/08/165371708.db2.gz YAEVILCMDVLDHI-UHFFFAOYSA-N 1 0 319.371 3.051 10 0 DGAERO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000227848508 165388839 /nfs/dbraw/zinc/38/88/39/165388839.db2.gz QRBLLEAPCOAFNC-KLHDSHLOSA-N 1 0 301.496 3.148 10 0 DGAERO O[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000248540929 165629234 /nfs/dbraw/zinc/62/92/34/165629234.db2.gz BIXPGYPPQDBCFA-IAGOWNOFSA-N 1 0 316.470 3.316 10 0 DGAERO Clc1cccc(Cl)c1OCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261667136 165730200 /nfs/dbraw/zinc/73/02/00/165730200.db2.gz FOLBGOTXDWDXAD-SMDDNHRTSA-N 1 0 315.244 3.056 10 0 DGAERO CC1(C)CN(C(=O)CSc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000261776975 165747468 /nfs/dbraw/zinc/74/74/68/165747468.db2.gz FYQGQRRXDFPQNK-CYBMUJFWSA-N 1 0 312.866 3.018 10 0 DGAERO CC1(C)CN(Cc2ccc(OCC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000261802530 165749877 /nfs/dbraw/zinc/74/98/77/165749877.db2.gz VYXCGSRQBMTSJG-AWEZNQCLSA-N 1 0 316.367 3.187 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262062955 165782186 /nfs/dbraw/zinc/78/21/86/165782186.db2.gz RUWFNIPXUWRVGZ-LSDHHAIUSA-N 1 0 306.475 3.143 10 0 DGAERO CC(C)C[C@@H](NC(=O)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000262187821 165792231 /nfs/dbraw/zinc/79/22/31/165792231.db2.gz FMMVDLPTOMHXSO-CQSZACIVSA-N 1 0 314.351 3.128 10 0 DGAERO C[C@@H](c1cccc(Br)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246619023 287142012 /nfs/dbraw/zinc/14/20/12/287142012.db2.gz XOZOJXKUSCGGGW-WFASDCNBSA-N 1 0 309.251 3.290 10 0 DGAERO CCOCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000365530353 287142797 /nfs/dbraw/zinc/14/27/97/287142797.db2.gz YZAJDTODQUSFNM-AWEZNQCLSA-N 1 0 319.380 3.092 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000262818222 165820256 /nfs/dbraw/zinc/82/02/56/165820256.db2.gz PHGQJPGHDMQSES-WMLDXEAASA-N 1 0 318.436 3.142 10 0 DGAERO Cc1cccc(C2(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CCCCC2)c1 ZINC000262848661 165821626 /nfs/dbraw/zinc/82/16/26/165821626.db2.gz SCJWZOZDDSNZCT-SJLPKXTDSA-N 1 0 314.473 3.311 10 0 DGAERO c1cc(-c2ccc(CN3CCOC[C@H]3c3ccccc3)o2)n[nH]1 ZINC000366020858 287200837 /nfs/dbraw/zinc/20/08/37/287200837.db2.gz FJZQCZGQZMOHSN-KRWDZBQOSA-N 1 0 309.369 3.243 10 0 DGAERO COc1ccc(F)cc1C[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000366024071 287201271 /nfs/dbraw/zinc/20/12/71/287201271.db2.gz RFMMZSLGIDSHBS-GFCCVEGCSA-N 1 0 314.360 3.050 10 0 DGAERO C[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1cncc(F)c1 ZINC000128908639 196002703 /nfs/dbraw/zinc/00/27/03/196002703.db2.gz VYALAGWYMFNCOB-KBXCAEBGSA-N 1 0 301.409 3.044 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC)cc1C ZINC000129013700 196012260 /nfs/dbraw/zinc/01/22/60/196012260.db2.gz AJSONCYHCVAQAT-LSDHHAIUSA-N 1 0 317.433 3.094 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000246647897 432152224 /nfs/dbraw/zinc/15/22/24/432152224.db2.gz JZXMKPDQMOQZIM-CPUCHLNUSA-N 1 0 301.434 3.018 10 0 DGAERO COc1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)cc1OC ZINC000190391589 432150637 /nfs/dbraw/zinc/15/06/37/432150637.db2.gz JABFWVDGJZJKQC-UHFFFAOYSA-N 1 0 315.413 3.359 10 0 DGAERO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1cccs1 ZINC000171605120 432150804 /nfs/dbraw/zinc/15/08/04/432150804.db2.gz IGIGDHGRKFXKCZ-DZGCQCFKSA-N 1 0 302.443 3.098 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H](C)c1ccc(F)cc1F ZINC000246657784 432151482 /nfs/dbraw/zinc/15/14/82/432151482.db2.gz KOKOCBJKCCDEMR-DZGCQCFKSA-N 1 0 324.415 3.401 10 0 DGAERO CCC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1)C1CC1 ZINC000171679497 432159544 /nfs/dbraw/zinc/15/95/44/432159544.db2.gz XOADPXYFWPCLES-GOSISDBHSA-N 1 0 316.445 3.233 10 0 DGAERO C[C@H](CCc1ccccc1F)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246724096 432159666 /nfs/dbraw/zinc/15/96/66/432159666.db2.gz DYBPNUQLNBWACO-BFYDXBDKSA-N 1 0 320.452 3.336 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000246665988 432153808 /nfs/dbraw/zinc/15/38/08/432153808.db2.gz DVXFUCBAAVDIGT-DOTOQJQBSA-N 1 0 310.482 3.009 10 0 DGAERO C[N@@H+](Cc1csc(Br)c1)C[C@H]1CCCOC1 ZINC000171639677 432154683 /nfs/dbraw/zinc/15/46/83/432154683.db2.gz STOIWAYHSOOVDI-SNVBAGLBSA-N 1 0 304.253 3.369 10 0 DGAERO CCOCC[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000190421329 432155948 /nfs/dbraw/zinc/15/59/48/432155948.db2.gz ASGRLDHJJVMFQP-JTQLQIEISA-N 1 0 302.212 3.145 10 0 DGAERO CCc1nc(C)c([C@H](C)N(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000246713694 432157015 /nfs/dbraw/zinc/15/70/15/432157015.db2.gz XAGLEQAVWYHGLC-RWMBFGLXSA-N 1 0 309.479 3.051 10 0 DGAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C)CC2 ZINC000182051018 432157068 /nfs/dbraw/zinc/15/70/68/432157068.db2.gz NOCUFWQHHBQUSK-SUMWQHHRSA-N 1 0 320.387 3.166 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC(C)(C)c2cccs2)C1 ZINC000246731654 432158872 /nfs/dbraw/zinc/15/88/72/432158872.db2.gz AOWQTDIVKVUPMB-UONOGXRCSA-N 1 0 323.506 3.054 10 0 DGAERO Cc1ccc(C(C)(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246762333 432162468 /nfs/dbraw/zinc/16/24/68/432162468.db2.gz BVZIQYKAZZQHDY-WBVHZDCISA-N 1 0 302.462 3.118 10 0 DGAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000190483754 432162792 /nfs/dbraw/zinc/16/27/92/432162792.db2.gz RVBJHSQWAKPCPZ-INIZCTEOSA-N 1 0 301.459 3.097 10 0 DGAERO CCc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190490385 432163138 /nfs/dbraw/zinc/16/31/38/432163138.db2.gz NBAAUIXFSRVLKL-KRWDZBQOSA-N 1 0 313.445 3.191 10 0 DGAERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)CC1 ZINC000190505865 432164667 /nfs/dbraw/zinc/16/46/67/432164667.db2.gz JIHJHHKZNKIWGP-SJORKVTESA-N 1 0 322.493 3.223 10 0 DGAERO CSc1ccc(C)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246805811 432166341 /nfs/dbraw/zinc/16/63/41/432166341.db2.gz DDWNSYAMFCZLCG-CJNGLKHVSA-N 1 0 306.475 3.175 10 0 DGAERO CCCC[N@H+](C[C@H](O)Cn1cccn1)[C@H](CC)c1ccccc1 ZINC000246807973 432167308 /nfs/dbraw/zinc/16/73/08/432167308.db2.gz UKTGKUHIVDNWKN-RBUKOAKNSA-N 1 0 315.461 3.497 10 0 DGAERO Cc1ccccc1C1(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000137101126 432169447 /nfs/dbraw/zinc/16/94/47/432169447.db2.gz QBIKRGXGGSVSOA-MRXNPFEDSA-N 1 0 302.462 3.119 10 0 DGAERO CC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)[C@H]1CCCO1 ZINC000182234658 432170968 /nfs/dbraw/zinc/17/09/68/432170968.db2.gz MEJQUMAATOSIPJ-AEGPPILISA-N 1 0 301.390 3.345 10 0 DGAERO Clc1cccc(-c2noc(N3CCC[N@@H+](C4CC4)CC3)n2)c1 ZINC000171831394 432177218 /nfs/dbraw/zinc/17/72/18/432177218.db2.gz VVNHWFJNVOKUAF-UHFFFAOYSA-N 1 0 318.808 3.065 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCCC[C@H](C)C(C)=O ZINC000246895820 432178274 /nfs/dbraw/zinc/17/82/74/432178274.db2.gz JGUUMEZAQLCQOA-RDJZCZTQSA-N 1 0 310.482 3.153 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)no1 ZINC000137589105 432178326 /nfs/dbraw/zinc/17/83/26/432178326.db2.gz LUMBIBHCRJORLT-CQSZACIVSA-N 1 0 303.381 3.014 10 0 DGAERO CC[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(OC(F)F)cc1 ZINC000190649133 432178572 /nfs/dbraw/zinc/17/85/72/432178572.db2.gz BVLJCQJPOSSSIG-AWEZNQCLSA-N 1 0 315.360 3.482 10 0 DGAERO CS[C@H]1CCCC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000246912052 432179918 /nfs/dbraw/zinc/17/99/18/432179918.db2.gz RXSGWHXDXSSELS-SMDDNHRTSA-N 1 0 301.402 3.216 10 0 DGAERO CCC[C@@H](C(=O)NCc1ccccc1OCC(C)C)[NH+](C)C ZINC000137856349 432180367 /nfs/dbraw/zinc/18/03/67/432180367.db2.gz LNKOQYUFRCCWFS-INIZCTEOSA-N 1 0 306.450 3.068 10 0 DGAERO CCC[C@@H](C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1)[NH+](C)C ZINC000190693880 432181204 /nfs/dbraw/zinc/18/12/04/432181204.db2.gz HAHXKQVQYUHKFE-NWDGAFQWSA-N 1 0 308.388 3.154 10 0 DGAERO C[NH+](C)C[C@H](NCc1nccn1-c1ccccc1)c1ccccc1 ZINC000190706799 432183412 /nfs/dbraw/zinc/18/34/12/432183412.db2.gz PSJCRYZVTBANOB-IBGZPJMESA-N 1 0 320.440 3.265 10 0 DGAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCN2CCCC[C@@H]2C)c1 ZINC000246956314 432184994 /nfs/dbraw/zinc/18/49/94/432184994.db2.gz IJJNVNCGWUCWFP-LSDHHAIUSA-N 1 0 303.450 3.170 10 0 DGAERO FC(F)(F)c1ccccc1[C@@H]1CN(Cc2c[nH]cn2)CCO1 ZINC000182390038 432185560 /nfs/dbraw/zinc/18/55/60/432185560.db2.gz NOEJNYLEIDGKLB-AWEZNQCLSA-N 1 0 311.307 3.002 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@@](C)(O)c2cccs2)cc1 ZINC000182383871 432186183 /nfs/dbraw/zinc/18/61/83/432186183.db2.gz GNLJIDXFYNYUMM-CXAGYDPISA-N 1 0 305.443 3.358 10 0 DGAERO COc1ccc([C@@H](C)NCC[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000246992185 432187900 /nfs/dbraw/zinc/18/79/00/432187900.db2.gz KGFCLUWUECAXQC-HUUCEWRRSA-N 1 0 306.450 3.229 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)cc2c1C ZINC000247001453 432189643 /nfs/dbraw/zinc/18/96/43/432189643.db2.gz GWRQUPKZRQUBKI-XIKOKIGWSA-N 1 0 313.445 3.243 10 0 DGAERO Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCc4c3cnn4C)C2)cc1 ZINC000247003873 432190678 /nfs/dbraw/zinc/19/06/78/432190678.db2.gz JZWTYPMDVNQUAO-APWZRJJASA-N 1 0 324.472 3.365 10 0 DGAERO O=C1O[C@H](C[N@@H+]2CCC[C@H]2c2ccco2)CN1c1ccccc1 ZINC000247016555 432191878 /nfs/dbraw/zinc/19/18/78/432191878.db2.gz UKEPMZOGUZHURG-CVEARBPZSA-N 1 0 312.369 3.442 10 0 DGAERO CCSCc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247062965 432199100 /nfs/dbraw/zinc/19/91/00/432199100.db2.gz HJIIFSMXITXKJZ-RHSMWYFYSA-N 1 0 318.486 3.248 10 0 DGAERO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000247073125 432199557 /nfs/dbraw/zinc/19/95/57/432199557.db2.gz UZVUPUMZXFOWHM-FVQHAEBGSA-N 1 0 318.486 3.122 10 0 DGAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000172168776 432200001 /nfs/dbraw/zinc/20/00/01/432200001.db2.gz NWDMTYWCCWXYIQ-CHWSQXEVSA-N 1 0 302.418 3.385 10 0 DGAERO O=C(c1cccc2ncccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150824054 432194848 /nfs/dbraw/zinc/19/48/48/432194848.db2.gz YYZRTQFPPPOKQW-MRXNPFEDSA-N 1 0 323.440 3.325 10 0 DGAERO O=C(c1cccc2ncccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150824023 432195383 /nfs/dbraw/zinc/19/53/83/432195383.db2.gz YYZRTQFPPPOKQW-INIZCTEOSA-N 1 0 323.440 3.325 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@H]1c1ccco1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247045287 432195509 /nfs/dbraw/zinc/19/55/09/432195509.db2.gz OECOFNQSVVSFAW-OAGGEKHMSA-N 1 0 319.449 3.247 10 0 DGAERO Cc1ccccc1[C@@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247047838 432195607 /nfs/dbraw/zinc/19/56/07/432195607.db2.gz ARYIMGLSEXLPSI-IRXDYDNUSA-N 1 0 300.446 3.185 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000247045785 432196447 /nfs/dbraw/zinc/19/64/47/432196447.db2.gz IEJMXYKMCMWMGE-CPUCHLNUSA-N 1 0 321.440 3.257 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(Cl)c1F ZINC000150874972 432197538 /nfs/dbraw/zinc/19/75/38/432197538.db2.gz RWKSQWITMHPBIQ-NSHDSACASA-N 1 0 300.805 3.185 10 0 DGAERO COC(=O)[C@H](C)[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccccc1 ZINC000190898980 432198206 /nfs/dbraw/zinc/19/82/06/432198206.db2.gz IXJTZYTZLJHUCH-OLMNPRSZSA-N 1 0 319.445 3.068 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)c1ccc(F)cc1Cl ZINC000131177351 196146575 /nfs/dbraw/zinc/14/65/75/196146575.db2.gz AZHHTLHURWFXRV-UHFFFAOYSA-N 1 0 309.772 3.262 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)n1 ZINC000172290152 432207841 /nfs/dbraw/zinc/20/78/41/432207841.db2.gz FOODRRMFZMNRSI-GOSISDBHSA-N 1 0 324.472 3.296 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(Cl)s1 ZINC000247150954 432207828 /nfs/dbraw/zinc/20/78/28/432207828.db2.gz KCULMGSFJMPUMX-NEPJUHHUSA-N 1 0 312.866 3.029 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)o1 ZINC000182591963 432208074 /nfs/dbraw/zinc/20/80/74/432208074.db2.gz VMYNXHQABCHQMO-KBPBESRZSA-N 1 0 314.385 3.160 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@@H](C(N)=O)C1 ZINC000190995956 432208647 /nfs/dbraw/zinc/20/86/47/432208647.db2.gz UNOOPRKUYZURTO-RISCZKNCSA-N 1 0 314.351 3.148 10 0 DGAERO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247179473 432209068 /nfs/dbraw/zinc/20/90/68/432209068.db2.gz URQCNGZXEGSKSL-CXAGYDPISA-N 1 0 320.387 3.420 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc2ccccc2n1C(F)F ZINC000247213866 432210795 /nfs/dbraw/zinc/21/07/95/432210795.db2.gz MBHDXPOWTZZTLL-STQMWFEESA-N 1 0 320.387 3.100 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000182623334 432212378 /nfs/dbraw/zinc/21/23/78/432212378.db2.gz MKOWSRGJIXVBIL-INIZCTEOSA-N 1 0 303.402 3.055 10 0 DGAERO CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CC)[C@H](C)c1cccnc1 ZINC000247218567 432213711 /nfs/dbraw/zinc/21/37/11/432213711.db2.gz MXSRPCWARCINLQ-NVXWUHKLSA-N 1 0 318.465 3.049 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCN3CCCCC3)C2)cc1 ZINC000151042687 432214280 /nfs/dbraw/zinc/21/42/80/432214280.db2.gz LTUPFTRSJDCGFG-FUHWJXTLSA-N 1 0 302.462 3.359 10 0 DGAERO CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247241182 432215326 /nfs/dbraw/zinc/21/53/26/432215326.db2.gz ORIYLQJLFOXSJB-SJLPKXTDSA-N 1 0 317.477 3.379 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC[N@@H+]1C ZINC000247250531 432215441 /nfs/dbraw/zinc/21/54/41/432215441.db2.gz DQLVVQNQSJIHNQ-GBOPCIDUSA-N 1 0 322.399 3.009 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000150931025 432203805 /nfs/dbraw/zinc/20/38/05/432203805.db2.gz OQDUDXCCXAWQHN-KRWDZBQOSA-N 1 0 316.445 3.137 10 0 DGAERO CC(C)[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1CCOCC1 ZINC000247126207 432204000 /nfs/dbraw/zinc/20/40/00/432204000.db2.gz WWKTZNFPQXWZBF-SJLPKXTDSA-N 1 0 322.493 3.057 10 0 DGAERO CCOCCN1CC[N@H+](C[C@H](C)c2ccccc2)C[C@H]1CC ZINC000247140823 432204744 /nfs/dbraw/zinc/20/47/44/432204744.db2.gz PHCJFLUINSMJJG-PKOBYXMFSA-N 1 0 304.478 3.223 10 0 DGAERO CCc1cnccc1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000182570243 432204863 /nfs/dbraw/zinc/20/48/63/432204863.db2.gz WIXAKVAAAVOHJY-QAPCUYQASA-N 1 0 323.440 3.037 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247142908 432205138 /nfs/dbraw/zinc/20/51/38/432205138.db2.gz WKRQRFKSBRFCJF-UKRRQHHQSA-N 1 0 311.429 3.093 10 0 DGAERO COc1ccccc1CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000182564539 432205859 /nfs/dbraw/zinc/20/58/59/432205859.db2.gz SHHZDBAENLQDSF-IEBWSBKVSA-N 1 0 303.446 3.255 10 0 DGAERO Cc1ccccc1C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000172622767 432226188 /nfs/dbraw/zinc/22/61/88/432226188.db2.gz NNCNLAXWILTELS-CVEARBPZSA-N 1 0 302.462 3.214 10 0 DGAERO C[C@@H](NC(=O)NCCC1=CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182767853 432227213 /nfs/dbraw/zinc/22/72/13/432227213.db2.gz WBNUGRUHDZODTD-NVXWUHKLSA-N 1 0 319.493 3.439 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CCOc1ccccc1C(F)(F)F ZINC000191151934 432227567 /nfs/dbraw/zinc/22/75/67/432227567.db2.gz ZSJMGOATURITRO-RYUDHWBXSA-N 1 0 317.351 3.318 10 0 DGAERO CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCc1cccs1 ZINC000151108458 432219715 /nfs/dbraw/zinc/21/97/15/432219715.db2.gz YQDCRGDVJMGHBE-AWEZNQCLSA-N 1 0 302.443 3.275 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)[C@H](SC)c2ccccc2)CC1 ZINC000172532813 432220177 /nfs/dbraw/zinc/22/01/77/432220177.db2.gz SKIBIKRQTMMJHV-QGZVFWFLSA-N 1 0 320.502 3.329 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247310278 432221010 /nfs/dbraw/zinc/22/10/10/432221010.db2.gz LWUIAWVLXYHYRY-CZUORRHYSA-N 1 0 323.868 3.210 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1nnc(-c2ccccc2)o1 ZINC000151122297 432221130 /nfs/dbraw/zinc/22/11/30/432221130.db2.gz PYVMEFOKDZVRCD-LCGIIJARSA-N 1 0 313.401 3.345 10 0 DGAERO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N[C@H](C)CCc2ccccc2)C1 ZINC000247309752 432221775 /nfs/dbraw/zinc/22/17/75/432221775.db2.gz LVNLDPQMJNVYIV-LZLYRXPVSA-N 1 0 317.477 3.036 10 0 DGAERO Fc1ccccc1SCC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247327364 432222899 /nfs/dbraw/zinc/22/28/99/432222899.db2.gz WPQRPMDPIOJFMX-UKRRQHHQSA-N 1 0 313.463 3.124 10 0 DGAERO COc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c2ccccc12 ZINC000247409795 432228485 /nfs/dbraw/zinc/22/84/85/432228485.db2.gz QAWKSFCTIIMDEA-CABCVRRESA-N 1 0 324.424 3.157 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)Cc1ccccc1)CCCO2 ZINC000132095527 196225668 /nfs/dbraw/zinc/22/56/68/196225668.db2.gz SSIONNJWYVAAQW-IEBWSBKVSA-N 1 0 311.425 3.402 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132433891 196255057 /nfs/dbraw/zinc/25/50/57/196255057.db2.gz UOFZHVNNNJAJJD-YQQAZPJKSA-N 1 0 303.450 3.084 10 0 DGAERO C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000132815742 196286172 /nfs/dbraw/zinc/28/61/72/196286172.db2.gz RHAHUVAUHPQVBZ-QGZVFWFLSA-N 1 0 306.409 3.082 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000132891068 196293331 /nfs/dbraw/zinc/29/33/31/196293331.db2.gz JTXMLTBFBWXBLY-OLZOCXBDSA-N 1 0 312.404 3.305 10 0 DGAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000132981356 196302394 /nfs/dbraw/zinc/30/23/94/196302394.db2.gz QOMZITAGAKIFFS-CABCVRRESA-N 1 0 317.454 3.437 10 0 DGAERO CC[C@@H](C)NC(=O)CC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000133164013 196317198 /nfs/dbraw/zinc/31/71/98/196317198.db2.gz FUACBDXWZLHMLF-LLVKDONJSA-N 1 0 308.809 3.481 10 0 DGAERO C[C@@H](C[NH2+]CC1(C(=O)N(C)C)CCCC1)Cc1ccccc1 ZINC000134080775 196359787 /nfs/dbraw/zinc/35/97/87/196359787.db2.gz BOIVVVJDOXNWHJ-MRXNPFEDSA-N 1 0 302.462 3.103 10 0 DGAERO O=C([C@@H](c1ccccc1)C1CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000134146313 196364870 /nfs/dbraw/zinc/36/48/70/196364870.db2.gz PBYUGGCVBCICPD-IBGZPJMESA-N 1 0 312.457 3.267 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](O)COc1cc(C)ccc1C)c1nccs1 ZINC000134235465 196372535 /nfs/dbraw/zinc/37/25/35/196372535.db2.gz CCIVQDGQXSJKJB-HUUCEWRRSA-N 1 0 320.458 3.241 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000135415169 196472093 /nfs/dbraw/zinc/47/20/93/196472093.db2.gz IEUIKDGHKFKMNH-GOEBONIOSA-N 1 0 306.837 3.253 10 0 DGAERO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(Cl)c1 ZINC000111245389 545872271 /nfs/dbraw/zinc/87/22/71/545872271.db2.gz KTVYPLKJEPAVDH-NOZJJQNGSA-N 1 0 320.742 3.059 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000152344388 227072276 /nfs/dbraw/zinc/07/22/76/227072276.db2.gz YZJSSJDNDIMATH-FZMZJTMJSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]1C ZINC000255569896 287473659 /nfs/dbraw/zinc/47/36/59/287473659.db2.gz ACIMNPNGVTUXAH-VYDXJSESSA-N 1 0 307.482 3.081 10 0 DGAERO OCCC1(C[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000157326436 228232694 /nfs/dbraw/zinc/23/26/94/228232694.db2.gz XGNGCDYTVFGUNR-UHFFFAOYSA-N 1 0 318.642 3.355 10 0 DGAERO c1nc2c(c(N3CCC(C[NH+]4CCCC4)CC3)n1)CCCCC2 ZINC000162465590 228258352 /nfs/dbraw/zinc/25/83/52/228258352.db2.gz VWFXXVZCOABZFV-UHFFFAOYSA-N 1 0 314.477 3.058 10 0 DGAERO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC000172182729 228274841 /nfs/dbraw/zinc/27/48/41/228274841.db2.gz JEBQFIJBUHGYNL-HOTGVXAUSA-N 1 0 309.498 3.376 10 0 DGAERO O[C@@H](Cc1ccccc1)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000173577893 228282540 /nfs/dbraw/zinc/28/25/40/228282540.db2.gz BQYJRUMUEFXBOV-OALUTQOASA-N 1 0 303.446 3.014 10 0 DGAERO c1cnn(CCCCC[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000173835602 228284773 /nfs/dbraw/zinc/28/47/73/228284773.db2.gz RJLWKWKLEABOSY-GOSISDBHSA-N 1 0 305.466 3.477 10 0 DGAERO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2(C)CCC2)C1 ZINC000174992239 228295952 /nfs/dbraw/zinc/29/59/52/228295952.db2.gz UYKJUHFXKBXHHG-IRXDYDNUSA-N 1 0 321.509 3.473 10 0 DGAERO Cc1c(Cl)c(CN2CC[N@@H+]3CCC[C@@H]3C2)nc2ccccc12 ZINC000178634275 228344500 /nfs/dbraw/zinc/34/45/00/228344500.db2.gz BJARLRLFRRIWRU-CQSZACIVSA-N 1 0 315.848 3.477 10 0 DGAERO C[C@H](C1CC1)N(C(=O)NC1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000178976415 228349083 /nfs/dbraw/zinc/34/90/83/228349083.db2.gz OIXFCRCRCKGEQU-VQCLRJIVSA-N 1 0 307.482 3.079 10 0 DGAERO CC[C@H](OC1CCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130576404 292636880 /nfs/dbraw/zinc/63/68/80/292636880.db2.gz QDNDSPPQMLWTHF-HTWSVDAQSA-N 1 0 324.509 3.351 10 0 DGAERO CCC[C@H](C(=O)N[C@@H](C)c1c(F)cccc1Cl)[NH+](C)C ZINC000130645850 292638602 /nfs/dbraw/zinc/63/86/02/292638602.db2.gz MSAUSNVTUHOJAQ-GXFFZTMASA-N 1 0 300.805 3.387 10 0 DGAERO c1nc2c(n1[C@@H]1CC[N@@H+](Cc3ccc4c(c3)CCO4)C1)CCCC2 ZINC000299741158 229376194 /nfs/dbraw/zinc/37/61/94/229376194.db2.gz DDRKWOSNCJNZJF-QGZVFWFLSA-N 1 0 323.440 3.144 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000250092048 287625275 /nfs/dbraw/zinc/62/52/75/287625275.db2.gz QGTLSVTYMLYWBQ-RPTUDFQQSA-N 1 0 308.425 3.058 10 0 DGAERO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037219382 263514386 /nfs/dbraw/zinc/51/43/86/263514386.db2.gz FMSIVFQDXZABEZ-UONOGXRCSA-N 1 0 312.479 3.201 10 0 DGAERO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185626453 263640934 /nfs/dbraw/zinc/64/09/34/263640934.db2.gz AZRUDVCYZKQJRX-HFTRVMKXSA-N 1 0 315.461 3.046 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cc(F)cc3cccnc32)C1 ZINC000188025238 263686681 /nfs/dbraw/zinc/68/66/81/263686681.db2.gz LAMHPAFCFXMISS-UGSOOPFHSA-N 1 0 302.393 3.357 10 0 DGAERO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cnc(CC(C)C)s1 ZINC000188930348 263705688 /nfs/dbraw/zinc/70/56/88/263705688.db2.gz KBUUORSRYLXBER-MRXNPFEDSA-N 1 0 318.486 3.343 10 0 DGAERO COc1ccc([C@H](C)C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc1 ZINC000188984754 263706830 /nfs/dbraw/zinc/70/68/30/263706830.db2.gz QRHCMKMADKSROR-VQIMIIECSA-N 1 0 313.441 3.300 10 0 DGAERO CCCOc1ccc(C[NH2+][C@@H](COC)C2CCOCC2)c(C)c1 ZINC000189273082 263713742 /nfs/dbraw/zinc/71/37/42/263713742.db2.gz GVJNMJHLQLNEAK-IBGZPJMESA-N 1 0 321.461 3.315 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000192666054 263782664 /nfs/dbraw/zinc/78/26/64/263782664.db2.gz HIXSFGQFYHARQK-AEFFLSMTSA-N 1 0 324.509 3.020 10 0 DGAERO C[C@H]([NH2+]Cc1nc(N(C)C)no1)C1(c2ccccc2)CCCC1 ZINC000192807792 263785549 /nfs/dbraw/zinc/78/55/49/263785549.db2.gz BNSKXRKROSGTLL-AWEZNQCLSA-N 1 0 314.433 3.126 10 0 DGAERO CCc1cccc(CC)c1NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000194319259 263810901 /nfs/dbraw/zinc/81/09/01/263810901.db2.gz HKMMRVJKWFFVQS-MRXNPFEDSA-N 1 0 303.450 3.417 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000235486123 263845684 /nfs/dbraw/zinc/84/56/84/263845684.db2.gz RVJOMEBOHLLCKU-KYOSRNDESA-N 1 0 312.251 3.131 10 0 DGAERO C(C[NH+]1CCCCC1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347299478 264192498 /nfs/dbraw/zinc/19/24/98/264192498.db2.gz HWGUALHYNUJTLW-MRXNPFEDSA-N 1 0 318.465 3.350 10 0 DGAERO c1coc(C2=CCC[N@@H+](CCOCCOc3ccccc3)C2)c1 ZINC000352550259 265086283 /nfs/dbraw/zinc/08/62/83/265086283.db2.gz LTJOVHUVLLYPSW-UHFFFAOYSA-N 1 0 313.397 3.464 10 0 DGAERO c1nn2ccccc2c1C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000353034095 265274816 /nfs/dbraw/zinc/27/48/16/265274816.db2.gz KXHMUVINXUSGJW-UHFFFAOYSA-N 1 0 303.369 3.014 10 0 DGAERO c1cc(CN2CCOCC2)ccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000353240658 265358896 /nfs/dbraw/zinc/35/88/96/265358896.db2.gz DHAGLJGBYNLFHE-LJQANCHMSA-N 1 0 314.473 3.331 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)O2 ZINC000353277734 265371427 /nfs/dbraw/zinc/37/14/27/265371427.db2.gz NUQMWXJYWLGNEB-YYIAUSFCSA-N 1 0 317.429 3.011 10 0 DGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000247423419 432229559 /nfs/dbraw/zinc/22/95/59/432229559.db2.gz VFMCTKMAWQWVQR-USXIJHARSA-N 1 0 321.461 3.049 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCc2ccccc2)[C@@H](C)C1 ZINC000247461039 432231516 /nfs/dbraw/zinc/23/15/16/432231516.db2.gz RAIZDBNTGIPXHI-FUHWJXTLSA-N 1 0 302.462 3.198 10 0 DGAERO C1=CC[NH+]([C@H]2CCN(c3ncccc3OCc3ccccc3)C2)C1 ZINC000354602671 265821836 /nfs/dbraw/zinc/82/18/36/265821836.db2.gz WZRWLPJEXKFIPW-SFHVURJKSA-N 1 0 321.424 3.111 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000355099544 265965948 /nfs/dbraw/zinc/96/59/48/265965948.db2.gz FORLJMICWXVJKG-AEFFLSMTSA-N 1 0 319.470 3.182 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000355497681 266093849 /nfs/dbraw/zinc/09/38/49/266093849.db2.gz AYZLOQOGNGTPFI-UHFFFAOYSA-N 1 0 301.430 3.478 10 0 DGAERO c1cn(-c2csc(CNC3CC([NH+]4CCCCC4)C3)c2)cn1 ZINC000355575518 266121451 /nfs/dbraw/zinc/12/14/51/266121451.db2.gz ACJJRNLGRNAQJK-UHFFFAOYSA-N 1 0 316.474 3.040 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000356436288 266391021 /nfs/dbraw/zinc/39/10/21/266391021.db2.gz XZRJBHZWHDEFEV-LDCOFTPGSA-N 1 0 309.356 3.148 10 0 DGAERO CCCN(Cc1ccccc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247481823 432233820 /nfs/dbraw/zinc/23/38/20/432233820.db2.gz WEYSAUUXMDOSKC-AEFFLSMTSA-N 1 0 317.477 3.337 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2cccc(F)c2)[C@H](C)C1 ZINC000247473349 432233866 /nfs/dbraw/zinc/23/38/66/432233866.db2.gz SCDJFMBJDORPDD-RKVPGOIHSA-N 1 0 320.452 3.193 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCOc2ccccc2)[C@@H](C)C1 ZINC000247481668 432233882 /nfs/dbraw/zinc/23/38/82/432233882.db2.gz SURFTCDYKYDRAD-WMZOPIPTSA-N 1 0 318.461 3.034 10 0 DGAERO CCCN(Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247481835 432234149 /nfs/dbraw/zinc/23/41/49/432234149.db2.gz WEYSAUUXMDOSKC-SJLPKXTDSA-N 1 0 317.477 3.337 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000247476068 432234516 /nfs/dbraw/zinc/23/45/16/432234516.db2.gz SJIYDOBNTPTUQC-RZFFKMDDSA-N 1 0 322.399 3.009 10 0 DGAERO Cc1c([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cnn1C(C)(C)C ZINC000191204830 432234668 /nfs/dbraw/zinc/23/46/68/432234668.db2.gz VNZRSPYYNZOBOK-OCBCSQNSSA-N 1 0 313.445 3.255 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000247502482 432236251 /nfs/dbraw/zinc/23/62/51/432236251.db2.gz VEHIOWMZXYLPDJ-IUODEOHRSA-N 1 0 311.429 3.093 10 0 DGAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(CO)cc2)C12CCCC2 ZINC000182879963 432237824 /nfs/dbraw/zinc/23/78/24/432237824.db2.gz COPMKQRWROJYLG-ZWKOTPCHSA-N 1 0 303.446 3.349 10 0 DGAERO Cc1ccc2[nH]c(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1C ZINC000247514943 432238715 /nfs/dbraw/zinc/23/87/15/432238715.db2.gz VZXCNRWFDHOICD-ZFWWWQNUSA-N 1 0 313.445 3.339 10 0 DGAERO C[C@H](N[C@H](CO)c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000182894371 432239534 /nfs/dbraw/zinc/23/95/34/432239534.db2.gz RYDRUGOPOWCWDV-XJKSGUPXSA-N 1 0 309.369 3.121 10 0 DGAERO C[C@@H]1CCC[C@@H](CC[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)C1 ZINC000182900646 432240517 /nfs/dbraw/zinc/24/05/17/432240517.db2.gz NHWHIAPPZZTKOU-AABGKKOBSA-N 1 0 321.553 3.305 10 0 DGAERO Cc1ccccc1[C@H](C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182909556 432241544 /nfs/dbraw/zinc/24/15/44/432241544.db2.gz YZQJHUJZPTTZCU-OALUTQOASA-N 1 0 315.505 3.158 10 0 DGAERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1C(C)C ZINC000247552154 432242129 /nfs/dbraw/zinc/24/21/29/432242129.db2.gz YWEFQSBYLQYDGP-BBRMVZONSA-N 1 0 305.466 3.241 10 0 DGAERO Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247578450 432243625 /nfs/dbraw/zinc/24/36/25/432243625.db2.gz XZCGJTVVHMYBRU-VQIMIIECSA-N 1 0 323.440 3.030 10 0 DGAERO C[C@H]1CC(CC[N@H+](C)CCCN2CC[NH+](C)CC2)C[C@H](C)C1 ZINC000182950117 432245236 /nfs/dbraw/zinc/24/52/36/432245236.db2.gz RZRUFDPUADKTQK-QZTJIDSGSA-N 1 0 309.542 3.018 10 0 DGAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)C3CCCCCCC3)CC2)CCO1 ZINC000172913563 432246030 /nfs/dbraw/zinc/24/60/30/432246030.db2.gz YDSLVZJAMCZHLY-MRXNPFEDSA-N 1 0 322.493 3.059 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](O)COCC(C)C)CCCO2 ZINC000151438177 432247682 /nfs/dbraw/zinc/24/76/82/432247682.db2.gz RWLMXXSSKQHUSW-SJLPKXTDSA-N 1 0 321.461 3.140 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(F)cc1F ZINC000151493686 432250379 /nfs/dbraw/zinc/25/03/79/432250379.db2.gz HNPWMTXTGZLKPC-GFCCVEGCSA-N 1 0 314.339 3.396 10 0 DGAERO Clc1ccc(Br)c(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367574645 271046051 /nfs/dbraw/zinc/04/60/51/271046051.db2.gz KNLYRLPSEAVYHK-CNDDSTCGSA-N 1 0 316.626 3.085 10 0 DGAERO Brc1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1 ZINC000367617030 271052293 /nfs/dbraw/zinc/05/22/93/271052293.db2.gz PIROTMSSOYKKEC-CYBMUJFWSA-N 1 0 306.207 3.339 10 0 DGAERO CCOC(=O)CC(C)(C)CC[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000367873704 271090713 /nfs/dbraw/zinc/09/07/13/271090713.db2.gz IQRUKIMXLHXATM-MRXNPFEDSA-N 1 0 321.465 3.317 10 0 DGAERO c1ccc(CCCC[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000368379303 271152221 /nfs/dbraw/zinc/15/22/21/271152221.db2.gz CUKPKEHHQGOGQX-UHFFFAOYSA-N 1 0 324.472 3.427 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc2c1OCO2 ZINC000368466563 271162168 /nfs/dbraw/zinc/16/21/68/271162168.db2.gz QVDBHVCVPWDSME-ARFHVFGLSA-N 1 0 303.402 3.100 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H]2CC3(CC3)C(=O)O2)o1 ZINC000369735000 271316070 /nfs/dbraw/zinc/31/60/70/271316070.db2.gz BIPAYVVIWVLLHD-SNPRPXQTSA-N 1 0 303.402 3.457 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000370486517 271363361 /nfs/dbraw/zinc/36/33/61/271363361.db2.gz YHKZRCGLZLQDJT-KQTLUZQSSA-N 1 0 303.450 3.407 10 0 DGAERO c1ccc(CC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2OCCO2)cc1 ZINC000370564203 271370203 /nfs/dbraw/zinc/37/02/03/271370203.db2.gz UIXVYYVZKKIJPL-AYHJJNSGSA-N 1 0 301.430 3.235 10 0 DGAERO Cc1cccc2nc(C[NH+]3CCC(C4CCOCC4)CC3)cn21 ZINC000370949467 271399590 /nfs/dbraw/zinc/39/95/90/271399590.db2.gz BSFQUYGLYCNUBI-UHFFFAOYSA-N 1 0 313.445 3.281 10 0 DGAERO CC[C@@H](c1ccccc1)[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000247926461 432253518 /nfs/dbraw/zinc/25/35/18/432253518.db2.gz ZVQRAKSFZNUDSV-MOPGFXCFSA-N 1 0 313.445 3.352 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000173047079 432255348 /nfs/dbraw/zinc/25/53/48/432255348.db2.gz QMKCMCLGJCGUKC-MRXNPFEDSA-N 1 0 304.478 3.410 10 0 DGAERO CSc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247957720 432256437 /nfs/dbraw/zinc/25/64/37/432256437.db2.gz FTJMRFNFCYGCGC-DZGCQCFKSA-N 1 0 319.474 3.357 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000232951627 273579993 /nfs/dbraw/zinc/57/99/93/273579993.db2.gz FEHSOGRDCISTDT-LBPRGKRZSA-N 1 0 311.223 3.166 10 0 DGAERO Cc1cccc(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000247969531 432257328 /nfs/dbraw/zinc/25/73/28/432257328.db2.gz FLNYXJRQLOYNJU-CTNGQTDRSA-N 1 0 322.452 3.489 10 0 DGAERO COc1ccccc1CC[N@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000191996088 274156817 /nfs/dbraw/zinc/15/68/17/274156817.db2.gz VGNQCEZPTPFQMJ-SFHVURJKSA-N 1 0 324.424 3.123 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(-n2ccnc2)cc1 ZINC000154779463 274253247 /nfs/dbraw/zinc/25/32/47/274253247.db2.gz UJKOLHAFMYIZGP-OAHLLOKOSA-N 1 0 321.428 3.184 10 0 DGAERO C[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)[C@H]1C[NH3+] ZINC000252210855 274292314 /nfs/dbraw/zinc/29/23/14/274292314.db2.gz WHAIRQYXUGYGMH-KCJUWKMLSA-N 1 0 307.747 3.317 10 0 DGAERO C[C@@H]1C[N@H+](CC(=O)Nc2ccncc2)CC[C@@H]1c1ccccc1 ZINC000129834708 274346685 /nfs/dbraw/zinc/34/66/85/274346685.db2.gz SOIIYHJIZPFAQE-QAPCUYQASA-N 1 0 309.413 3.146 10 0 DGAERO C[C@@H]1CN(Cc2cc(Cl)ccc2Br)[C@H](C)C[NH2+]1 ZINC000090252188 274353572 /nfs/dbraw/zinc/35/35/72/274353572.db2.gz DFRJIIPRFOXDJG-NXEZZACHSA-N 1 0 317.658 3.285 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000247951649 275057468 /nfs/dbraw/zinc/05/74/68/275057468.db2.gz FBQFXCVRGXLXQS-USXIJHARSA-N 1 0 309.837 3.000 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@]4(CCSC4)C3)C2)cc1 ZINC000453343170 275067179 /nfs/dbraw/zinc/06/71/79/275067179.db2.gz DNKYHPQHRQJOIO-OALUTQOASA-N 1 0 316.514 3.480 10 0 DGAERO c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)C2)cc1 ZINC000436418695 275068035 /nfs/dbraw/zinc/06/80/35/275068035.db2.gz WNDTWUDXXCHUMV-HCXYKTFWSA-N 1 0 301.430 3.250 10 0 DGAERO c1ccc2cc(OCCN3CCC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000420364041 275071893 /nfs/dbraw/zinc/07/18/93/275071893.db2.gz IFWRKNAZDHWOGE-HXUWFJFHSA-N 1 0 310.441 3.294 10 0 DGAERO CC(C)[NH2+][C@@H]1CCOC[C@@H]1Cc1ccc(Br)cc1 ZINC000095088417 275657154 /nfs/dbraw/zinc/65/71/54/275657154.db2.gz OGVUDYHRUYOMCG-DZGCQCFKSA-N 1 0 312.251 3.395 10 0 DGAERO CC(C)c1ccc(C2(O)CCC([NH2+]C3(CO)CCC3)CC2)cc1 ZINC000182210614 275735632 /nfs/dbraw/zinc/73/56/32/275735632.db2.gz RSCQTILLHXLSSA-UHFFFAOYSA-N 1 0 317.473 3.445 10 0 DGAERO CCN(C(=O)CCSC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000248272417 276060722 /nfs/dbraw/zinc/06/07/22/276060722.db2.gz WPIIVWMJNVIXGM-RDJZCZTQSA-N 1 0 320.502 3.424 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000174179200 276114205 /nfs/dbraw/zinc/11/42/05/276114205.db2.gz QDBBLHVWFVNIAW-ZWKOTPCHSA-N 1 0 314.473 3.439 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccccc1)C1CC1 ZINC000079253533 276115922 /nfs/dbraw/zinc/11/59/22/276115922.db2.gz YTRPKXMYYLHYDJ-OAHLLOKOSA-N 1 0 303.450 3.091 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1cccc(Cl)c1C ZINC000175357661 276182918 /nfs/dbraw/zinc/18/29/18/276182918.db2.gz CAOPQLUZYSHOFY-AWEZNQCLSA-N 1 0 323.868 3.003 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCCc2sccc21 ZINC000163304283 276339462 /nfs/dbraw/zinc/33/94/62/276339462.db2.gz XYWZPLAMDILUAQ-TZMCWYRMSA-N 1 0 309.479 3.155 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C12CCOCC2 ZINC000186209663 276346732 /nfs/dbraw/zinc/34/67/32/276346732.db2.gz UPRAMPZDXMJVTM-KBAYOESNSA-N 1 0 317.429 3.074 10 0 DGAERO C[C@@H](CSc1nnc(Nc2cccc(F)c2)s1)[NH+](C)C ZINC000479223759 429719111 /nfs/dbraw/zinc/71/91/11/429719111.db2.gz YMSMKJJGGKRCIL-VIFPVBQESA-N 1 0 312.439 3.463 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000175818200 276795026 /nfs/dbraw/zinc/79/50/26/276795026.db2.gz ZUEZVVRQTRPCEJ-CQSZACIVSA-N 1 0 318.808 3.159 10 0 DGAERO C1CC2(C1)[C@H]([NH2+][C@H]1CCC[C@@H]([C@@H]3CCOC3)C1)[C@@H]1CCO[C@@H]12 ZINC000343455684 276851090 /nfs/dbraw/zinc/85/10/90/276851090.db2.gz MGSMDZOGUFPRDV-LMMHAMTPSA-N 1 0 305.462 3.129 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1c1ccccc1 ZINC000247983247 277137311 /nfs/dbraw/zinc/13/73/11/277137311.db2.gz HWJAJBNUUQEWQB-RTBURBONSA-N 1 0 319.408 3.343 10 0 DGAERO CN1CC[C@H]([NH2+]C[C@H]2CCC=CO2)[C@H]1c1ccc(Cl)cc1 ZINC000248878372 277172055 /nfs/dbraw/zinc/17/20/55/277172055.db2.gz KAJGUBRXFRLCDA-IXDOHACOSA-N 1 0 306.837 3.368 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190163167 277216082 /nfs/dbraw/zinc/21/60/82/277216082.db2.gz NKKWMKZWQCPXGY-NWDGAFQWSA-N 1 0 311.388 3.073 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@@H]2CCCCC(F)(F)C2)CCOCC1 ZINC000453227128 277472153 /nfs/dbraw/zinc/47/21/53/277472153.db2.gz COAHGQZDFLRYMD-ZIAGYGMSSA-N 1 0 305.409 3.376 10 0 DGAERO CC[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)c1ccccc1 ZINC000173911808 287966526 /nfs/dbraw/zinc/96/65/26/287966526.db2.gz XDXYOVKBZZMAKQ-IRXDYDNUSA-N 1 0 317.477 3.088 10 0 DGAERO C[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262547077 277569012 /nfs/dbraw/zinc/56/90/12/277569012.db2.gz ODTKLOLUMUYOKG-SMDDNHRTSA-N 1 0 314.351 3.354 10 0 DGAERO COc1c(C)cnc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1C ZINC000191963091 277785869 /nfs/dbraw/zinc/78/58/69/277785869.db2.gz KLNVHQNGCVGKFQ-APWZRJJASA-N 1 0 312.413 3.327 10 0 DGAERO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C3CC3)cc1)C[C@@H](C)O2 ZINC000459498364 278060221 /nfs/dbraw/zinc/06/02/21/278060221.db2.gz BSJSODNJDNVQME-ZRGWGRIASA-N 1 0 301.430 3.332 10 0 DGAERO COc1sc(C[N@H+](C)C[C@H]2CCCO2)cc1Br ZINC000128016580 278103374 /nfs/dbraw/zinc/10/33/74/278103374.db2.gz DIRBWPANUQSPIV-SECBINFHSA-N 1 0 320.252 3.130 10 0 DGAERO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470947047 278134115 /nfs/dbraw/zinc/13/41/15/278134115.db2.gz MRNKUYXIAZBDBQ-YRGRVCCFSA-N 1 0 320.399 3.439 10 0 DGAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000185369010 278264508 /nfs/dbraw/zinc/26/45/08/278264508.db2.gz XLWUIMMZGCJERA-LBPRGKRZSA-N 1 0 324.827 3.063 10 0 DGAERO C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1nccn1C ZINC000187701922 278265829 /nfs/dbraw/zinc/26/58/29/278265829.db2.gz WEVVGGGNZLMBQJ-LPHOPBHVSA-N 1 0 312.461 3.125 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000261844054 278312990 /nfs/dbraw/zinc/31/29/90/278312990.db2.gz CUIFOPFAUIAWJX-WBMJQRKESA-N 1 0 303.381 3.182 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)NC1CCCCC1 ZINC000192362002 278370834 /nfs/dbraw/zinc/37/08/34/278370834.db2.gz IASFNXKGHDLKGX-CXAGYDPISA-N 1 0 316.445 3.197 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccncc1 ZINC000156759917 278373164 /nfs/dbraw/zinc/37/31/64/278373164.db2.gz DSTAQCPKPJJUQC-TZMCWYRMSA-N 1 0 303.356 3.289 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000090879231 278379666 /nfs/dbraw/zinc/37/96/66/278379666.db2.gz MSIVDUUOVFTOTO-CHWSQXEVSA-N 1 0 311.364 3.213 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)C1CCSCC1 ZINC000187207037 278381913 /nfs/dbraw/zinc/38/19/13/278381913.db2.gz BWJWZWTZADKEEE-PBHICJAKSA-N 1 0 318.486 3.303 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000150930984 278670030 /nfs/dbraw/zinc/67/00/30/278670030.db2.gz OQDUDXCCXAWQHN-QGZVFWFLSA-N 1 0 316.445 3.137 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC000183585918 279072801 /nfs/dbraw/zinc/07/28/01/279072801.db2.gz GSGWCPWRARRHDQ-GXSJLCMTSA-N 1 0 319.396 3.139 10 0 DGAERO CC[C@H]1CCC[C@@H]([NH2+]CC(=O)N2CCc3sccc3C2)C1 ZINC000068593846 431134543 /nfs/dbraw/zinc/13/45/43/431134543.db2.gz NQCJLZMRLGFFGP-DZGCQCFKSA-N 1 0 306.475 3.191 10 0 DGAERO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457780608 279097856 /nfs/dbraw/zinc/09/78/56/279097856.db2.gz WYOYHDZOAWCCSA-BXUZGUMPSA-N 1 0 318.383 3.050 10 0 DGAERO O=C(CN1CC[n+]2cc(-c3ccccc3)sc21)c1ccccc1 ZINC000000161782 431136199 /nfs/dbraw/zinc/13/61/99/431136199.db2.gz QVWPWKCHCAETND-UHFFFAOYSA-N 1 0 321.425 3.406 10 0 DGAERO CC[C@H]1CCC[C@H]([NH2+]CC(=O)N2CCc3sccc3C2)C1 ZINC000068593839 431136984 /nfs/dbraw/zinc/13/69/84/431136984.db2.gz NQCJLZMRLGFFGP-ZFWWWQNUSA-N 1 0 306.475 3.191 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000175433648 279356207 /nfs/dbraw/zinc/35/62/07/279356207.db2.gz KEAUWJMHUJZAHP-RHSMWYFYSA-N 1 0 321.440 3.258 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)c2nc(C)nc3scc(C)c32)[C@@H](C)C1 ZINC000302259181 279398321 /nfs/dbraw/zinc/39/83/21/279398321.db2.gz BPLATFRLDFOOQE-SMDDNHRTSA-N 1 0 318.490 3.475 10 0 DGAERO CCc1nc2n(n1)C[C@H](Nc1cc(C)[nH+]c3ccccc13)CC2 ZINC000108948692 431163246 /nfs/dbraw/zinc/16/32/46/431163246.db2.gz KWVLUJXKJVMUIF-CYBMUJFWSA-N 1 0 307.401 3.124 10 0 DGAERO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109124614 431172128 /nfs/dbraw/zinc/17/21/28/431172128.db2.gz ZDWVXXNKVQKDCI-HUUCEWRRSA-N 1 0 324.415 3.115 10 0 DGAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2cccc(Br)c2)no1 ZINC000109500654 431177206 /nfs/dbraw/zinc/17/72/06/431177206.db2.gz SGRSCDNLUFPNGQ-NSHDSACASA-N 1 0 310.195 3.025 10 0 DGAERO CC[NH+](CC)CCOc1c(C(N)=O)cccc1-c1ccccc1 ZINC000002020746 431242097 /nfs/dbraw/zinc/24/20/97/431242097.db2.gz SCVVJXUGCOSKCK-UHFFFAOYSA-N 1 0 312.413 3.173 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)C1CCCC1 ZINC000070306522 431249651 /nfs/dbraw/zinc/24/96/51/431249651.db2.gz UBPLWHVFHQSCTQ-CXAGYDPISA-N 1 0 311.853 3.386 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112118557 431251017 /nfs/dbraw/zinc/25/10/17/431251017.db2.gz BMWGENCHPPITQT-QGZVFWFLSA-N 1 0 314.473 3.200 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)CC2 ZINC000112550582 431283090 /nfs/dbraw/zinc/28/30/90/431283090.db2.gz PVPKLWDZRQLJOJ-ZYHUDNBSSA-N 1 0 322.815 3.299 10 0 DGAERO Cc1ccc(C)c([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1 ZINC000071790571 431286688 /nfs/dbraw/zinc/28/66/88/431286688.db2.gz LCCDNSAFCFIDII-HOCLYGCPSA-N 1 0 304.434 3.355 10 0 DGAERO CC[C@@H](OC1CCCC1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000112817592 431307325 /nfs/dbraw/zinc/30/73/25/431307325.db2.gz OGWNSGOHBRYSGU-FUHWJXTLSA-N 1 0 322.493 3.201 10 0 DGAERO C[C@H](C1CC1)n1nccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000073292677 431369440 /nfs/dbraw/zinc/36/94/40/431369440.db2.gz QUJVGRCEITUWIY-CYBMUJFWSA-N 1 0 312.417 3.168 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CCCCC2)C1 ZINC000071920002 431317461 /nfs/dbraw/zinc/31/74/61/431317461.db2.gz CZBVRAONWVNHSW-IYBDPMFKSA-N 1 0 309.498 3.376 10 0 DGAERO COc1ccc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000006877275 431322845 /nfs/dbraw/zinc/32/28/45/431322845.db2.gz RKZQMQWEAYESCX-UHFFFAOYSA-N 1 0 317.433 3.035 10 0 DGAERO CC(C)[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072000880 431324556 /nfs/dbraw/zinc/32/45/56/431324556.db2.gz AETKSQXNHXKIAK-CQSZACIVSA-N 1 0 321.440 3.134 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc2c1C ZINC000072016004 431325813 /nfs/dbraw/zinc/32/58/13/431325813.db2.gz QQSFNHSRWQCLGP-INIZCTEOSA-N 1 0 315.461 3.491 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1coc2ccccc12 ZINC000113153007 431330641 /nfs/dbraw/zinc/33/06/41/431330641.db2.gz QNRDABDDZJHRBV-INIZCTEOSA-N 1 0 322.408 3.336 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)c1ccccc1 ZINC000113222667 431336600 /nfs/dbraw/zinc/33/66/00/431336600.db2.gz RKSVKHSDZGZQQB-DOTOQJQBSA-N 1 0 300.446 3.049 10 0 DGAERO COc1ccc(OCc2nc(C[NH2+][C@@H]3C[C@@H]3C)cs2)cc1 ZINC000113335619 431341567 /nfs/dbraw/zinc/34/15/67/431341567.db2.gz NTLSXVUZXNODQB-XHDPSFHLSA-N 1 0 304.415 3.229 10 0 DGAERO CC(C)Cc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000113440600 431348346 /nfs/dbraw/zinc/34/83/46/431348346.db2.gz ATSNCDQIYLVVSV-LJQANCHMSA-N 1 0 324.472 3.434 10 0 DGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000072697464 431348705 /nfs/dbraw/zinc/34/87/05/431348705.db2.gz LFSNZAPCYPHQGT-XQQFMLRXSA-N 1 0 306.372 3.050 10 0 DGAERO C[NH+](C)C[C@H]1CCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000113451723 431349061 /nfs/dbraw/zinc/34/90/61/431349061.db2.gz IVIGZDHIMQESLG-GOSISDBHSA-N 1 0 322.452 3.301 10 0 DGAERO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000072850349 431350414 /nfs/dbraw/zinc/35/04/14/431350414.db2.gz UGJPGRKAQJSYDV-ZIAGYGMSSA-N 1 0 320.399 3.344 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000072823742 431352272 /nfs/dbraw/zinc/35/22/72/431352272.db2.gz PNJCJPVTLKIWDD-MRXNPFEDSA-N 1 0 312.461 3.102 10 0 DGAERO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000007607112 431357039 /nfs/dbraw/zinc/35/70/39/431357039.db2.gz SHMFOUQUWYHFKL-MQIPJXDCSA-N 1 0 310.388 3.310 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000072973283 431358062 /nfs/dbraw/zinc/35/80/62/431358062.db2.gz DBMDNFWWLGGZHP-XHSDSOJGSA-N 1 0 318.461 3.096 10 0 DGAERO CCC[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)CC1CC1 ZINC000072950302 431360440 /nfs/dbraw/zinc/36/04/40/431360440.db2.gz NTHHYBSQMKJONZ-UHFFFAOYSA-N 1 0 317.458 3.095 10 0 DGAERO C[C@@H](CNC(=O)Nc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000074455582 431421501 /nfs/dbraw/zinc/42/15/01/431421501.db2.gz AWETWTOXZUWZCF-HNNXBMFYSA-N 1 0 309.413 3.255 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1cccc(F)c1 ZINC000114483362 431391172 /nfs/dbraw/zinc/39/11/72/431391172.db2.gz AVMFPSXDNUBBDO-INIZCTEOSA-N 1 0 316.380 3.105 10 0 DGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114588626 431398084 /nfs/dbraw/zinc/39/80/84/431398084.db2.gz SSSRTYZQXCEYFZ-VQIMIIECSA-N 1 0 317.477 3.003 10 0 DGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114588628 431399137 /nfs/dbraw/zinc/39/91/37/431399137.db2.gz SSSRTYZQXCEYFZ-APWZRJJASA-N 1 0 317.477 3.003 10 0 DGAERO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000074314245 431411591 /nfs/dbraw/zinc/41/15/91/431411591.db2.gz LCVCJEGCRNVYRE-HNNXBMFYSA-N 1 0 315.442 3.179 10 0 DGAERO CCCOc1c(Cl)cc(C[NH2+]CC[C@@H](C)O)cc1OCC ZINC000114771041 431412786 /nfs/dbraw/zinc/41/27/86/431412786.db2.gz DOEXEUVNSVYRQI-GFCCVEGCSA-N 1 0 315.841 3.388 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCCC[NH+](C(C)C)C(C)C)o1 ZINC000074833701 431440724 /nfs/dbraw/zinc/44/07/24/431440724.db2.gz ZEQHRKNGRPQDDK-HNNXBMFYSA-N 1 0 309.454 3.457 10 0 DGAERO C[C@H]1CCC[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000115694211 431470026 /nfs/dbraw/zinc/47/00/26/431470026.db2.gz FDZVSPIHFAUQAU-XJKSGUPXSA-N 1 0 321.440 3.265 10 0 DGAERO CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000115801967 431473506 /nfs/dbraw/zinc/47/35/06/431473506.db2.gz IQMWUUGXJQQMFV-DOTOQJQBSA-N 1 0 320.481 3.150 10 0 DGAERO CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@H](C)c1cccnc1 ZINC000115782762 431473518 /nfs/dbraw/zinc/47/35/18/431473518.db2.gz UCHMOPTZDQLFDU-MRXNPFEDSA-N 1 0 320.481 3.293 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000115796927 431474291 /nfs/dbraw/zinc/47/42/91/431474291.db2.gz JTZXKOBUECMDIF-HZPDHXFCSA-N 1 0 320.481 3.117 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccco1)C[NH+]1CCCCC1 ZINC000116534832 431518664 /nfs/dbraw/zinc/51/86/64/431518664.db2.gz NRFYUXKMHSHWJU-JKSUJKDBSA-N 1 0 319.449 3.248 10 0 DGAERO CCOC[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000075743769 431496035 /nfs/dbraw/zinc/49/60/35/431496035.db2.gz YPBWJVRZQXFFIL-HNNXBMFYSA-N 1 0 317.408 3.260 10 0 DGAERO C[C@H](c1nc(C(C)(C)C)no1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861175 431502437 /nfs/dbraw/zinc/50/24/37/431502437.db2.gz NOVYXCJHKXBKRW-KGLIPLIRSA-N 1 0 308.470 3.234 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](CCCOc3cccc(Cl)c3)C2)cn1 ZINC000116317068 431505559 /nfs/dbraw/zinc/50/55/59/431505559.db2.gz IZYCDURLMYXILQ-AWEZNQCLSA-N 1 0 319.836 3.332 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccccc3Br)C2)cn1 ZINC000116316679 431505578 /nfs/dbraw/zinc/50/55/78/431505578.db2.gz TUYCBLQVPIGJJM-GFCCVEGCSA-N 1 0 320.234 3.172 10 0 DGAERO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404346 431511131 /nfs/dbraw/zinc/51/11/31/431511131.db2.gz LHXQVSMEKIIJTO-DZGCQCFKSA-N 1 0 307.415 3.056 10 0 DGAERO OC[C@H]1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000013491918 431557609 /nfs/dbraw/zinc/55/76/09/431557609.db2.gz CLVLPTHZLQBGKF-LJQANCHMSA-N 1 0 309.409 3.242 10 0 DGAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3nc(C4CC4)no3)C2)cc1 ZINC000076390204 431544912 /nfs/dbraw/zinc/54/49/12/431544912.db2.gz VASALCOXQYEVBW-DOMZBBRYSA-N 1 0 313.401 3.334 10 0 DGAERO CCCc1noc(C[N@@H+]2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)n1 ZINC000076390251 431545019 /nfs/dbraw/zinc/54/50/19/431545019.db2.gz RXQCHXSJZQVXPQ-DZGCQCFKSA-N 1 0 315.417 3.409 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000076484056 431554142 /nfs/dbraw/zinc/55/41/42/431554142.db2.gz YQHYWWJAFLNQGG-AEFFLSMTSA-N 1 0 302.462 3.035 10 0 DGAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000076988586 431568225 /nfs/dbraw/zinc/56/82/25/431568225.db2.gz BCXHMWPQSLHYDR-MOPGFXCFSA-N 1 0 312.457 3.185 10 0 DGAERO O=C(c1ccc2c(c1)CCC2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107523617 280194167 /nfs/dbraw/zinc/19/41/67/280194167.db2.gz QCSHATSTCMQKFE-IBGZPJMESA-N 1 0 312.457 3.266 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(Cl)cc1Cl ZINC000050394919 280194120 /nfs/dbraw/zinc/19/41/20/280194120.db2.gz OTLNOQNQGHKXFZ-CHWSQXEVSA-N 1 0 301.217 3.313 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000077204128 431572253 /nfs/dbraw/zinc/57/22/53/431572253.db2.gz CSDFJODLGXFSQX-ONGXEEELSA-N 1 0 304.253 3.151 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@]1(CCO)CCOC1 ZINC000125547311 280273760 /nfs/dbraw/zinc/27/37/60/280273760.db2.gz CFCGHBMTVSCDHC-KDOFPFPSSA-N 1 0 303.402 3.181 10 0 DGAERO CCCC[N@H+](C)[C@H]1CCC(=O)N(Cc2ccc(OC)cc2)CC1 ZINC000014958916 431597428 /nfs/dbraw/zinc/59/74/28/431597428.db2.gz URXLOFXSVGJDLF-KRWDZBQOSA-N 1 0 318.461 3.308 10 0 DGAERO CCCCN1C(=O)CC[C@@H]2C[N@@H+](C/C=C/c3ccco3)CC[C@@H]21 ZINC000014985674 431598711 /nfs/dbraw/zinc/59/87/11/431598711.db2.gz BXUUOZZFVFJCOA-QIMDTJCCSA-N 1 0 316.445 3.406 10 0 DGAERO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCC1(C)C ZINC000077483628 431600029 /nfs/dbraw/zinc/60/00/29/431600029.db2.gz CDASLSQRKCVFLU-UHFFFAOYSA-N 1 0 300.855 3.234 10 0 DGAERO OCC[C@@]1(C[NH2+][C@@H](c2cccs2)C2CCCC2)CCOC1 ZINC000091737764 280409285 /nfs/dbraw/zinc/40/92/85/280409285.db2.gz RUUDFNMQBVCKNV-SJORKVTESA-N 1 0 309.475 3.358 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)N1CCCC1(C)C)c1cccc(F)c1 ZINC000077511436 431602987 /nfs/dbraw/zinc/60/29/87/431602987.db2.gz CMRWQLIWEBBYEG-OAHLLOKOSA-N 1 0 307.413 3.012 10 0 DGAERO C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@H]1CCCO1 ZINC000077277116 431578549 /nfs/dbraw/zinc/57/85/49/431578549.db2.gz HZLUEDUJEUKXOT-CQSZACIVSA-N 1 0 321.808 3.043 10 0 DGAERO CC(C)C[C@@H](CNC(=O)C[C@@H]1CCOc2ccccc21)[NH+](C)C ZINC000117802495 431580387 /nfs/dbraw/zinc/58/03/87/431580387.db2.gz BMBFRIJXQDQQIB-HOTGVXAUSA-N 1 0 318.461 3.035 10 0 DGAERO CC[N@H+](CCNC(=O)N1CC=C(c2cccs2)CC1)C1CC1 ZINC000117965497 431585528 /nfs/dbraw/zinc/58/55/28/431585528.db2.gz BWIWFIWVWJHGHV-UHFFFAOYSA-N 1 0 319.474 3.031 10 0 DGAERO Cn1cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000119170931 431656591 /nfs/dbraw/zinc/65/65/91/431656591.db2.gz WTPKTYIXLISUSP-YQQQUEKLSA-N 1 0 309.457 3.310 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c3c2cccc3C)C1 ZINC000119165510 431656939 /nfs/dbraw/zinc/65/69/39/431656939.db2.gz VPIUXPAJPCHDDX-INIZCTEOSA-N 1 0 313.445 3.009 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCC2(C)C)c1 ZINC000077522116 431605584 /nfs/dbraw/zinc/60/55/84/431605584.db2.gz PSVQVFAKKMJLJU-UHFFFAOYSA-N 1 0 303.450 3.222 10 0 DGAERO Cn1cccc1C[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000119188353 431660443 /nfs/dbraw/zinc/66/04/43/431660443.db2.gz SCXMBVWMHUHSQO-UHFFFAOYSA-N 1 0 314.429 3.011 10 0 DGAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000119305283 431673001 /nfs/dbraw/zinc/67/30/01/431673001.db2.gz ILLJJTIPADIRCW-CABCVRRESA-N 1 0 314.429 3.032 10 0 DGAERO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](C)CS(C)(=O)=O)c1C ZINC000119374992 431684553 /nfs/dbraw/zinc/68/45/53/431684553.db2.gz PTSWOQUHNZWKCL-CXAGYDPISA-N 1 0 309.475 3.121 10 0 DGAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)C(C)C)C2)c1 ZINC000119386038 431686304 /nfs/dbraw/zinc/68/63/04/431686304.db2.gz GYLHFVBYMMPYCB-GJZGRUSLSA-N 1 0 306.450 3.164 10 0 DGAERO CCC[NH+](CCC)CCN(C(=O)N(C)C)c1cc(C)cc(C)n1 ZINC000027627321 431693387 /nfs/dbraw/zinc/69/33/87/431693387.db2.gz ULJZKOHCQLMBLX-UHFFFAOYSA-N 1 0 320.481 3.308 10 0 DGAERO Cc1cc(NC(=O)NC2CCN(c3cccs3)CC2)ccn1 ZINC000119470954 431694146 /nfs/dbraw/zinc/69/41/46/431694146.db2.gz CUFOGPKBDFBRRH-UHFFFAOYSA-N 1 0 316.430 3.242 10 0 DGAERO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1F ZINC000119474015 431695951 /nfs/dbraw/zinc/69/59/51/431695951.db2.gz QHTGURQPDSLUFU-NSHDSACASA-N 1 0 310.800 3.002 10 0 DGAERO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000079489279 431726515 /nfs/dbraw/zinc/72/65/15/431726515.db2.gz GHWSDVPEYGFVQG-CABCVRRESA-N 1 0 306.425 3.072 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000120473661 431730538 /nfs/dbraw/zinc/73/05/38/431730538.db2.gz NZWLXVWNJMNTSW-ADLMAVQZSA-N 1 0 301.409 3.384 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)NCC[NH+]1CCCCC1 ZINC000079559610 431732257 /nfs/dbraw/zinc/73/22/57/431732257.db2.gz BCYGGHZUXOSYMO-UHFFFAOYSA-N 1 0 321.490 3.325 10 0 DGAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@H]1C1CCCC1 ZINC000079612712 431735499 /nfs/dbraw/zinc/73/54/99/431735499.db2.gz WFQSMMWJDLKFEK-QGZVFWFLSA-N 1 0 307.482 3.227 10 0 DGAERO COc1ccc(C[N@H+](C[C@H](O)C(F)(F)F)[C@H](C)C2CC2)cc1 ZINC000121063386 431741510 /nfs/dbraw/zinc/74/15/10/431741510.db2.gz ZQKVGGOVNOZXFU-ABAIWWIYSA-N 1 0 317.351 3.219 10 0 DGAERO C[NH+](C)Cc1ccc(NC(=O)c2coc(Br)c2)cc1 ZINC000030774503 431743704 /nfs/dbraw/zinc/74/37/04/431743704.db2.gz DZXWUEDXYNABPN-UHFFFAOYSA-N 1 0 323.190 3.356 10 0 DGAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)o1 ZINC000030902571 431747120 /nfs/dbraw/zinc/74/71/20/431747120.db2.gz ZCIPLASDMUCRJE-BBRMVZONSA-N 1 0 308.385 3.274 10 0 DGAERO Cc1ccc(CCC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000031339319 431758850 /nfs/dbraw/zinc/75/88/50/431758850.db2.gz IYJYABPXHFTHEQ-UHFFFAOYSA-N 1 0 322.452 3.102 10 0 DGAERO O=C(NCCc1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000121865944 431807978 /nfs/dbraw/zinc/80/79/78/431807978.db2.gz AXOFHLHONAZSOF-IBGZPJMESA-N 1 0 308.425 3.012 10 0 DGAERO Cc1ccc(CC(=O)N2CC[N@@H+](C)CC23CCCCC3)s1 ZINC000080940850 431778897 /nfs/dbraw/zinc/77/88/97/431778897.db2.gz PKYKINLPAUJYEO-UHFFFAOYSA-N 1 0 306.475 3.076 10 0 DGAERO CC(=O)NCCC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000121423208 431782494 /nfs/dbraw/zinc/78/24/94/431782494.db2.gz WKSZHSXAZWSPIV-QMMMGPOBSA-N 1 0 307.196 3.309 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095495 431782798 /nfs/dbraw/zinc/78/27/98/431782798.db2.gz BICOHTAYAVGPNZ-APWZRJJASA-N 1 0 312.461 3.034 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000085581785 431840834 /nfs/dbraw/zinc/84/08/34/431840834.db2.gz CXNGALMPTGBVOX-HNNXBMFYSA-N 1 0 321.465 3.446 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)s1 ZINC000036932477 431843020 /nfs/dbraw/zinc/84/30/20/431843020.db2.gz MRLVIOSBMVLFOK-ZDUSSCGKSA-N 1 0 302.447 3.166 10 0 DGAERO CC(C)N(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000086372223 431845325 /nfs/dbraw/zinc/84/53/25/431845325.db2.gz YEIWVSDPTDZCMP-KRWDZBQOSA-N 1 0 303.450 3.091 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C2(c3ccccc3)CCCC2)CC[N@@H+]1C ZINC000122876173 431847274 /nfs/dbraw/zinc/84/72/74/431847274.db2.gz OCWGZJLRJMAKBQ-SJLPKXTDSA-N 1 0 314.473 3.440 10 0 DGAERO C[C@@H](CN1CCCC1=O)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000037782601 431849885 /nfs/dbraw/zinc/84/98/85/431849885.db2.gz APIFWORYLDSJGE-SJCJKPOMSA-N 1 0 306.837 3.392 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000037805013 431850546 /nfs/dbraw/zinc/85/05/46/431850546.db2.gz BPDZROZECRUKBR-NOZJJQNGSA-N 1 0 303.233 3.325 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1COCCO1)c1c(Cl)ccc(F)c1Cl ZINC000038060340 431854015 /nfs/dbraw/zinc/85/40/15/431854015.db2.gz ZRWGFJPJOIDMHF-DTWKUNHWSA-N 1 0 308.180 3.199 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2csc(-c3ccco3)n2)CC[N@@H+]1C ZINC000123075588 431854338 /nfs/dbraw/zinc/85/43/38/431854338.db2.gz AAQCUXJMOBEQIY-JSGCOSHPSA-N 1 0 305.447 3.318 10 0 DGAERO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)N1c1ccccc1 ZINC000038242967 431855419 /nfs/dbraw/zinc/85/54/19/431855419.db2.gz CAWWHOGXBDZETR-UHFFFAOYSA-N 1 0 306.409 3.458 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2ncc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000123139583 431856853 /nfs/dbraw/zinc/85/68/53/431856853.db2.gz FOHLXXKNBASKDC-KGLIPLIRSA-N 1 0 317.408 3.395 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000089160314 431860313 /nfs/dbraw/zinc/86/03/13/431860313.db2.gz LVFJJTKREKVYTO-FKFRUQKQSA-N 1 0 324.262 3.446 10 0 DGAERO C[C@H]1CC(CCN2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)C1 ZINC000089128800 431860368 /nfs/dbraw/zinc/86/03/68/431860368.db2.gz HQUQKUMUTRQSOP-QZTJIDSGSA-N 1 0 322.537 3.493 10 0 DGAERO CCC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)C[C@@H]1CCCCO1 ZINC000089126004 431860389 /nfs/dbraw/zinc/86/03/89/431860389.db2.gz SHUXCQGZCSRUFO-HNNXBMFYSA-N 1 0 323.408 3.393 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2)CCN1C ZINC000123276315 431861068 /nfs/dbraw/zinc/86/10/68/431861068.db2.gz RBUZJBNIIXIQMM-DOMZBBRYSA-N 1 0 311.267 3.364 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000089162426 431861151 /nfs/dbraw/zinc/86/11/51/431861151.db2.gz AMIHVVUXPAXDBW-DOMZBBRYSA-N 1 0 306.406 3.200 10 0 DGAERO Cc1ccccc1OCCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123310637 431861248 /nfs/dbraw/zinc/86/12/48/431861248.db2.gz KXZRQSWAITZNGQ-SJORKVTESA-N 1 0 318.461 3.095 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123413838 431864028 /nfs/dbraw/zinc/86/40/28/431864028.db2.gz RTEIQUOCISPGRT-ZYHUDNBSSA-N 1 0 317.296 3.425 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccc(F)cc2)CC[N@@H+]1C ZINC000123474459 431865434 /nfs/dbraw/zinc/86/54/34/431865434.db2.gz JHHXGIMJAKLZFN-BBRMVZONSA-N 1 0 306.425 3.044 10 0 DGAERO CC(=O)c1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000089444726 431866197 /nfs/dbraw/zinc/86/61/97/431866197.db2.gz SEZVOFMKQIUPSB-CJNGLKHVSA-N 1 0 317.433 3.144 10 0 DGAERO CCC[C@H](C(=O)N[C@@H]1CCSc2c(F)cccc21)[NH+](C)C ZINC000123499878 431866917 /nfs/dbraw/zinc/86/69/17/431866917.db2.gz SEYQTMAPLLLTFQ-ZIAGYGMSSA-N 1 0 310.438 3.209 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)N1CCOCC1 ZINC000123525859 431867349 /nfs/dbraw/zinc/86/73/49/431867349.db2.gz ZZAXUPDIVKXNRJ-CVEARBPZSA-N 1 0 314.429 3.318 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCc2nc(C)no2)c2ccccc12 ZINC000089518121 431868565 /nfs/dbraw/zinc/86/85/65/431868565.db2.gz SANBZCXVIZBELD-LBPRGKRZSA-N 1 0 311.385 3.433 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)n1 ZINC000089517687 431869039 /nfs/dbraw/zinc/86/90/39/431869039.db2.gz KRKFREMJUOFCPE-SNVBAGLBSA-N 1 0 311.332 3.181 10 0 DGAERO CC[C@@H]([NH2+]CCc1nc(C)no1)c1cccc(Br)c1 ZINC000089518835 431869192 /nfs/dbraw/zinc/86/91/92/431869192.db2.gz GIIVKLVQOFIYSB-CYBMUJFWSA-N 1 0 324.222 3.424 10 0 DGAERO O=c1ccc2cc(OC3CCC4(CC[NH2+]CC4)CC3)ccc2o1 ZINC000034867014 431822285 /nfs/dbraw/zinc/82/22/85/431822285.db2.gz ZGPWQQJSNGPNCL-UHFFFAOYSA-N 1 0 313.397 3.484 10 0 DGAERO Cc1ccc(CN2CCCC[C@@H]2[C@H](C)[NH3+])c(Br)c1 ZINC000228282774 280813469 /nfs/dbraw/zinc/81/34/69/280813469.db2.gz NRENOLIRZIZTTN-SWLSCSKDSA-N 1 0 311.267 3.459 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)Nc1nc(C(C)C)cs1 ZINC000084575394 431828229 /nfs/dbraw/zinc/82/82/29/431828229.db2.gz ZZKURWOUFXTQOC-UHFFFAOYSA-N 1 0 321.450 3.441 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(Cl)cc1Cl ZINC000036076665 431833238 /nfs/dbraw/zinc/83/32/38/431833238.db2.gz MQOFOIKOWYAHHO-JTQLQIEISA-N 1 0 303.233 3.454 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000092849239 280828607 /nfs/dbraw/zinc/82/86/07/280828607.db2.gz DCVHAVXRNDIIEV-WBVHZDCISA-N 1 0 318.804 3.303 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCOc2ccccc2)[C@H](C)C1 ZINC000122493601 431835311 /nfs/dbraw/zinc/83/53/11/431835311.db2.gz SURFTCDYKYDRAD-AEFFLSMTSA-N 1 0 318.461 3.034 10 0 DGAERO CCS[C@@H]1CCCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963665 431836161 /nfs/dbraw/zinc/83/61/61/431836161.db2.gz VQXOKBNPSFHUEU-ZWKOTPCHSA-N 1 0 323.502 3.172 10 0 DGAERO COCCC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036094998 431836230 /nfs/dbraw/zinc/83/62/30/431836230.db2.gz KEHHXHQTDFWAQN-SFHVURJKSA-N 1 0 323.477 3.010 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000085289409 431837959 /nfs/dbraw/zinc/83/79/59/431837959.db2.gz CKYQKHSUGAWFBS-WAVCKPEOSA-N 1 0 302.462 3.491 10 0 DGAERO C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000047295912 431907977 /nfs/dbraw/zinc/90/79/77/431907977.db2.gz DGSAJPKWYCCIRG-OAHLLOKOSA-N 1 0 312.413 3.118 10 0 DGAERO CCCOc1ccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000124963672 431910217 /nfs/dbraw/zinc/91/02/17/431910217.db2.gz GPVSLJXNUFHEQG-CQSZACIVSA-N 1 0 307.438 3.327 10 0 DGAERO CCC[N@@H+](Cc1cnc2c(C)cccn12)C[C@H]1CCCCO1 ZINC000093132438 431913452 /nfs/dbraw/zinc/91/34/52/431913452.db2.gz AIGXVZOXPKXAMF-QGZVFWFLSA-N 1 0 301.434 3.424 10 0 DGAERO Fc1ccc(Cl)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000125094304 431913759 /nfs/dbraw/zinc/91/37/59/431913759.db2.gz QEOTZLXUDDLLIC-ZDUSSCGKSA-N 1 0 307.752 3.409 10 0 DGAERO C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000047893009 431915968 /nfs/dbraw/zinc/91/59/68/431915968.db2.gz OLOXHBSSPMUIHW-LBPRGKRZSA-N 1 0 321.852 3.327 10 0 DGAERO CC[C@H](COC)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000079733506 280851895 /nfs/dbraw/zinc/85/18/95/280851895.db2.gz LYXDRQAMCBICQR-DGCLKSJQSA-N 1 0 314.223 3.287 10 0 DGAERO Clc1ncc(COCCCC2CC[NH2+]CC2)c(Cl)n1 ZINC000095070239 431920287 /nfs/dbraw/zinc/92/02/87/431920287.db2.gz MDTBTPTUFSVZJW-UHFFFAOYSA-N 1 0 304.221 3.080 10 0 DGAERO Clc1nc2ccccc2nc1OCCCC1CC[NH2+]CC1 ZINC000095070482 431920817 /nfs/dbraw/zinc/92/08/17/431920817.db2.gz SCJFVHASFPMKQR-UHFFFAOYSA-N 1 0 305.809 3.442 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088712 431921561 /nfs/dbraw/zinc/92/15/61/431921561.db2.gz CRMNSYOBQUIXOA-UONOGXRCSA-N 1 0 307.438 3.407 10 0 DGAERO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095089088 431921744 /nfs/dbraw/zinc/92/17/44/431921744.db2.gz GWWDLUTYLMMKFE-ZIAGYGMSSA-N 1 0 305.422 3.132 10 0 DGAERO Brc1cc(COCCC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000095092473 431921885 /nfs/dbraw/zinc/92/18/85/431921885.db2.gz UNRHLFWARJNPCO-LBPRGKRZSA-N 1 0 313.239 3.141 10 0 DGAERO Brc1cc(COCCC[C@H]2CCCC[NH2+]2)ccn1 ZINC000095092472 431922170 /nfs/dbraw/zinc/92/21/70/431922170.db2.gz YSCCBPCXGMAPPR-CYBMUJFWSA-N 1 0 313.239 3.283 10 0 DGAERO CC[C@@H](SC)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000125447921 431925196 /nfs/dbraw/zinc/92/51/96/431925196.db2.gz MQFYTZVPSPSJFZ-MRXNPFEDSA-N 1 0 306.475 3.040 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)c1 ZINC000123848757 431875900 /nfs/dbraw/zinc/87/59/00/431875900.db2.gz AADRWHHBPNCYFB-LBPRGKRZSA-N 1 0 313.323 3.441 10 0 DGAERO CC(C)COc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123899612 431877551 /nfs/dbraw/zinc/87/75/51/431877551.db2.gz QGZCNZKDLIXQLH-WBVHZDCISA-N 1 0 318.461 3.276 10 0 DGAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2scnc2C2CC2)C1 ZINC000089775416 431878418 /nfs/dbraw/zinc/87/84/18/431878418.db2.gz WBPJBRGALZSUAL-LBPRGKRZSA-N 1 0 321.490 3.261 10 0 DGAERO Fc1ccc(C2([NH2+]Cc3ccncc3)CCOCC2)c(F)c1 ZINC000089802656 431879735 /nfs/dbraw/zinc/87/97/35/431879735.db2.gz KADQOMFDZDZIJJ-UHFFFAOYSA-N 1 0 304.340 3.155 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000089827357 431881412 /nfs/dbraw/zinc/88/14/12/431881412.db2.gz LOVMRTODEOTSKO-KBXCAEBGSA-N 1 0 310.397 3.255 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)C2(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000124141728 431884609 /nfs/dbraw/zinc/88/46/09/431884609.db2.gz OHYYYYBBVNHTDB-BBRMVZONSA-N 1 0 320.864 3.313 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cccc3)cc2)CC[N@@H+]1C ZINC000124172199 431885545 /nfs/dbraw/zinc/88/55/45/431885545.db2.gz TWOAXIHTZHVRLM-QAPCUYQASA-N 1 0 311.429 3.032 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000045409618 431885738 /nfs/dbraw/zinc/88/57/38/431885738.db2.gz GAJVZNZVDUSPIP-ZTFGCOKTSA-N 1 0 321.509 3.373 10 0 DGAERO CCCCN(C)C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000045743424 431889348 /nfs/dbraw/zinc/88/93/48/431889348.db2.gz PWPXWJTVDNMNQL-UHFFFAOYSA-N 1 0 317.477 3.401 10 0 DGAERO CCc1cc(N2CCC[C@@H](C(=O)N(C)C)C2)c2ccccc2[nH+]1 ZINC000124302351 431889498 /nfs/dbraw/zinc/88/94/98/431889498.db2.gz GMXUYHBIDACPCS-CQSZACIVSA-N 1 0 311.429 3.102 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000090251398 431891123 /nfs/dbraw/zinc/89/11/23/431891123.db2.gz RQNNBPSUPZFBMM-TVQRCGJNSA-N 1 0 318.642 3.353 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)CCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000124377176 431891548 /nfs/dbraw/zinc/89/15/48/431891548.db2.gz HXQXOOSTKSLBEG-NEPJUHHUSA-N 1 0 314.882 3.275 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)CCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000124367899 431891615 /nfs/dbraw/zinc/89/16/15/431891615.db2.gz XXMMKYMIJBKELN-ZFWWWQNUSA-N 1 0 324.852 3.050 10 0 DGAERO CC(C)Cc1ccc([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000124418590 431893998 /nfs/dbraw/zinc/89/39/98/431893998.db2.gz ZBWMCTXLFHKFFQ-AWEZNQCLSA-N 1 0 303.450 3.079 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCc2ccccc21 ZINC000090937976 431898032 /nfs/dbraw/zinc/89/80/32/431898032.db2.gz KOPJIJMNJLWWFF-AUUYWEPGSA-N 1 0 319.408 3.062 10 0 DGAERO CN1C(=O)C[C@@H]([NH2+]C2CCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000090968693 431898777 /nfs/dbraw/zinc/89/87/77/431898777.db2.gz DRVPBZZEVBOZAK-GDBMZVCRSA-N 1 0 324.877 3.097 10 0 DGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccccc1 ZINC000090938232 431898875 /nfs/dbraw/zinc/89/88/75/431898875.db2.gz IDZFHDGPAWIMBO-GJZGRUSLSA-N 1 0 307.397 3.136 10 0 DGAERO CCN1CC[C@H]([NH2+]Cc2ncc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091071755 431900708 /nfs/dbraw/zinc/90/07/08/431900708.db2.gz PSXXHIRNUYWCMR-HOCLYGCPSA-N 1 0 322.815 3.127 10 0 DGAERO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(=O)n3ccccc3n2)o1 ZINC000124787305 431904496 /nfs/dbraw/zinc/90/44/96/431904496.db2.gz LDBLGNPCATVIEP-INIZCTEOSA-N 1 0 323.396 3.323 10 0 DGAERO COc1ccc([C@H](C)[NH2+]Cc2cncnc2)cc1Br ZINC000054767717 431973333 /nfs/dbraw/zinc/97/33/33/431973333.db2.gz HIMAIVMHMXXADZ-JTQLQIEISA-N 1 0 322.206 3.099 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127511961 431974137 /nfs/dbraw/zinc/97/41/37/431974137.db2.gz WLOHBJIMNKEQKQ-OAHLLOKOSA-N 1 0 307.409 3.091 10 0 DGAERO CN(C)C1(C[NH2+]Cc2ccc(Br)c(F)c2)CCC1 ZINC000097928286 431975379 /nfs/dbraw/zinc/97/53/79/431975379.db2.gz DXQOCJYUGBWAMG-UHFFFAOYSA-N 1 0 315.230 3.162 10 0 DGAERO Cc1ccc(C[N@@H+](Cc2ccncc2)C[C@@H]2CCOC2)s1 ZINC000055131481 431977097 /nfs/dbraw/zinc/97/70/97/431977097.db2.gz AVXXXEXXQSWUDM-INIZCTEOSA-N 1 0 302.443 3.490 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(Cl)sc1Cl ZINC000125602974 431930588 /nfs/dbraw/zinc/93/05/88/431930588.db2.gz HSMCVVWWQPSQMH-RNCFNFMXSA-N 1 0 324.273 3.495 10 0 DGAERO COC(=O)CCC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127746618 431979890 /nfs/dbraw/zinc/97/98/90/431979890.db2.gz NMHVOQCXLXMTGZ-ZDUSSCGKSA-N 1 0 310.463 3.399 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(Cl)ccc1Cl ZINC000125801584 431935792 /nfs/dbraw/zinc/93/57/92/431935792.db2.gz LJSCXRLGXIAZKT-IAQYHMDHSA-N 1 0 318.244 3.433 10 0 DGAERO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000126017979 431940510 /nfs/dbraw/zinc/94/05/10/431940510.db2.gz KSJYAVAADMFATI-MRXNPFEDSA-N 1 0 302.418 3.349 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)no1 ZINC000050273600 431947194 /nfs/dbraw/zinc/94/71/94/431947194.db2.gz PSHGZSMXLXGSLZ-INIZCTEOSA-N 1 0 319.792 3.316 10 0 DGAERO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)NCc1ccco1 ZINC000050273470 431947555 /nfs/dbraw/zinc/94/75/55/431947555.db2.gz UCEKDOPVCZOHPI-KRWDZBQOSA-N 1 0 318.804 3.290 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2cc(C)sc2C)C1 ZINC000052525042 431956348 /nfs/dbraw/zinc/95/63/48/431956348.db2.gz XEOBNUUQQBCHDC-JSGCOSHPSA-N 1 0 309.479 3.209 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000052593841 431956802 /nfs/dbraw/zinc/95/68/02/431956802.db2.gz QAKXBZSGHHCFBW-KRWDZBQOSA-N 1 0 303.450 3.011 10 0 DGAERO CCc1cc2c(s1)Nc1ccccc1N=C2N1CC[NH2+]CC1 ZINC000053122819 431960250 /nfs/dbraw/zinc/96/02/50/431960250.db2.gz DLBGDFORVMZNGR-UHFFFAOYSA-N 1 0 312.442 3.351 10 0 DGAERO C[C@@H]1CCCCN1CC[NH2+]Cc1cc(Br)cs1 ZINC000053343443 431962255 /nfs/dbraw/zinc/96/22/55/431962255.db2.gz VZKNTINIERPWES-LLVKDONJSA-N 1 0 317.296 3.475 10 0 DGAERO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000127262569 431968024 /nfs/dbraw/zinc/96/80/24/431968024.db2.gz YFNCTZLVUKYOBZ-WFASDCNBSA-N 1 0 321.852 3.107 10 0 DGAERO O[C@@H](Cn1cccn1)C[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000054338583 431969663 /nfs/dbraw/zinc/96/96/63/431969663.db2.gz ZJFUMIVMCUGFLG-LJQANCHMSA-N 1 0 313.445 3.079 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000127355143 431969702 /nfs/dbraw/zinc/96/97/02/431969702.db2.gz ASTXLVQZOLWBMK-ZWKOTPCHSA-N 1 0 303.446 3.326 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000127355368 431970089 /nfs/dbraw/zinc/97/00/89/431970089.db2.gz ASTXLVQZOLWBMK-ROUUACIJSA-N 1 0 303.446 3.326 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000054322195 431970090 /nfs/dbraw/zinc/97/00/90/431970090.db2.gz PGAWBQLPWOYFLG-IAGOWNOFSA-N 1 0 324.509 3.303 10 0 DGAERO C[C@@H]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H]1C ZINC000127814181 431981624 /nfs/dbraw/zinc/98/16/24/431981624.db2.gz MCDIMWVOMFPDBP-ZIAGYGMSSA-N 1 0 321.440 3.075 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCn2ncnc21)CC3 ZINC000180731333 281037302 /nfs/dbraw/zinc/03/73/02/281037302.db2.gz HXBJUPFLYJRQAM-ACJLOTCBSA-N 1 0 321.428 3.050 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(SC)ccc1C ZINC000175015018 281191295 /nfs/dbraw/zinc/19/12/95/281191295.db2.gz BSQPOUTWNBYIHS-LSDHHAIUSA-N 1 0 318.486 3.416 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(Cl)cccc1Cl ZINC000176308056 288304327 /nfs/dbraw/zinc/30/43/27/288304327.db2.gz QGMLBBBSAADRRE-GHMZBOCLSA-N 1 0 313.228 3.302 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000101733558 431988462 /nfs/dbraw/zinc/98/84/62/431988462.db2.gz DCIKOACOFZTTIO-HNNXBMFYSA-N 1 0 324.465 3.299 10 0 DGAERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)n1 ZINC000187066154 281245374 /nfs/dbraw/zinc/24/53/74/281245374.db2.gz IWUPKXPVKOKLIF-HOTGVXAUSA-N 1 0 303.450 3.081 10 0 DGAERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCC(C)(C)O3)C2)n1 ZINC000248552025 281246065 /nfs/dbraw/zinc/24/60/65/281246065.db2.gz IWUPKXPVKOKLIF-JKSUJKDBSA-N 1 0 303.450 3.081 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056863914 431989691 /nfs/dbraw/zinc/98/96/91/431989691.db2.gz WSEINKWLZXBKEV-RHSMWYFYSA-N 1 0 321.440 3.403 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000247511890 288311750 /nfs/dbraw/zinc/31/17/50/288311750.db2.gz VXQLWZDTIRDXOA-YGRLFVJLSA-N 1 0 313.228 3.302 10 0 DGAERO Cc1cccc2c1OCC[C@@H]2[NH2+]C1CCC2(CC1)OCCO2 ZINC000189463132 281284142 /nfs/dbraw/zinc/28/41/42/281284142.db2.gz FPBSDTJZPMDVFP-INIZCTEOSA-N 1 0 303.402 3.094 10 0 DGAERO Cc1cccc2c1OCC[C@H]2NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000191451276 281287767 /nfs/dbraw/zinc/28/77/67/281287767.db2.gz HAJFXEPTHSSBAP-JYYAWHABSA-N 1 0 316.445 3.196 10 0 DGAERO CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1CCCCC1 ZINC000057205977 431991234 /nfs/dbraw/zinc/99/12/34/431991234.db2.gz AYPRZMVORYVHBX-QGZVFWFLSA-N 1 0 317.477 3.133 10 0 DGAERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)C1CC1 ZINC000128282287 431991747 /nfs/dbraw/zinc/99/17/47/431991747.db2.gz SZNWPOYTBSYQPE-MAUKXSAKSA-N 1 0 310.445 3.085 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1cccc(CO)c1 ZINC000183208677 432269576 /nfs/dbraw/zinc/26/95/76/432269576.db2.gz CCJGBEFLXLRVQH-LSDHHAIUSA-N 1 0 322.412 3.171 10 0 DGAERO Cc1ccc(F)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248125293 432269878 /nfs/dbraw/zinc/26/98/78/432269878.db2.gz VFNFNGTWQLKTRN-ROUUACIJSA-N 1 0 312.388 3.309 10 0 DGAERO CSc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248186812 432274301 /nfs/dbraw/zinc/27/43/01/432274301.db2.gz XNJIXGGURCVEQY-XJKSGUPXSA-N 1 0 319.474 3.357 10 0 DGAERO CCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248320086 432278419 /nfs/dbraw/zinc/27/84/19/432278419.db2.gz RNXRTDFCPBKLFJ-JFIYKMOQSA-N 1 0 318.461 3.095 10 0 DGAERO COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCc1ccsc1 ZINC000183325655 432281481 /nfs/dbraw/zinc/28/14/81/432281481.db2.gz LRGKQVRLGBDFJM-CYBMUJFWSA-N 1 0 319.426 3.193 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2csc(-c3ccccn3)n2)CC[N@@H+]1C ZINC000173526127 432284797 /nfs/dbraw/zinc/28/47/97/432284797.db2.gz GDYIMJRBGPEKAS-UKRRQHHQSA-N 1 0 316.474 3.120 10 0 DGAERO COC[C@@H](C)CNc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191665137 432288860 /nfs/dbraw/zinc/28/88/60/432288860.db2.gz YAJTXRRUCYDSPS-KRWDZBQOSA-N 1 0 319.493 3.220 10 0 DGAERO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)cc1 ZINC000248441803 432292488 /nfs/dbraw/zinc/29/24/88/432292488.db2.gz KMABTACNHIWSOR-HUUCEWRRSA-N 1 0 303.450 3.170 10 0 DGAERO CC(C)(C)Oc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000173685838 432293450 /nfs/dbraw/zinc/29/34/50/432293450.db2.gz WUEVQWFGYFUBBH-UHFFFAOYSA-N 1 0 319.449 3.471 10 0 DGAERO CC(C)c1nnc(C[NH2+]C(C)(C)CCc2ccccc2)n1C ZINC000151972520 432294618 /nfs/dbraw/zinc/29/46/18/432294618.db2.gz NBIAPPSWIDXPSW-UHFFFAOYSA-N 1 0 300.450 3.440 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1F ZINC000248453645 432294737 /nfs/dbraw/zinc/29/47/37/432294737.db2.gz ZDSFKQQDVZFQTO-HZSPNIEDSA-N 1 0 322.424 3.274 10 0 DGAERO Cn1nccc1C1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000152010959 432295617 /nfs/dbraw/zinc/29/56/17/432295617.db2.gz FVHXFVMZQYSMPK-UHFFFAOYSA-N 1 0 305.372 3.120 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000183562967 432303798 /nfs/dbraw/zinc/30/37/98/432303798.db2.gz RWVZUCGFPQUFML-WCQYABFASA-N 1 0 309.431 3.073 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)C2CCCC2)CC[N@@H+]1C ZINC000152024888 432297275 /nfs/dbraw/zinc/29/72/75/432297275.db2.gz ZUNQGNBUXZFSSV-GOEBONIOSA-N 1 0 309.498 3.327 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(C)n1 ZINC000248548603 432299101 /nfs/dbraw/zinc/29/91/01/432299101.db2.gz GVJKPASBHCJKFC-DLBZAZTESA-N 1 0 300.402 3.380 10 0 DGAERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CCC(C)(C)O3)C2)n1 ZINC000248552021 432299517 /nfs/dbraw/zinc/29/95/17/432299517.db2.gz IWUPKXPVKOKLIF-HZPDHXFCSA-N 1 0 303.450 3.081 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](CCc3ccc(F)c(F)c3)C2)c1 ZINC000152061908 432300883 /nfs/dbraw/zinc/30/08/83/432300883.db2.gz XLPNVOYMJZRUFX-OAHLLOKOSA-N 1 0 305.372 3.349 10 0 DGAERO Cc1sc2nc([C@H](C)[NH2+][C@H](C)[C@H]3CCCO3)nc(N)c2c1C ZINC000248560950 432301272 /nfs/dbraw/zinc/30/12/72/432301272.db2.gz COFJQQFYUNAHKE-JFGNBEQYSA-N 1 0 320.462 3.108 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCSCC(C)C)C1 ZINC000152057011 432301295 /nfs/dbraw/zinc/30/12/95/432301295.db2.gz APAQZNJNITXQJY-OAHLLOKOSA-N 1 0 310.511 3.257 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)cn1 ZINC000128428477 431994035 /nfs/dbraw/zinc/99/40/35/431994035.db2.gz JDRWZVHYFPXCJY-LJQANCHMSA-N 1 0 318.424 3.472 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1SCCc2ccccc21 ZINC000173833460 432302706 /nfs/dbraw/zinc/30/27/06/432302706.db2.gz XGICXXXPCMPSLC-DOTOQJQBSA-N 1 0 320.502 3.110 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000128452201 431994464 /nfs/dbraw/zinc/99/44/64/431994464.db2.gz PFRPCSKZZOSFFA-CXAGYDPISA-N 1 0 302.374 3.062 10 0 DGAERO CCCCCCC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000102648102 431995972 /nfs/dbraw/zinc/99/59/72/431995972.db2.gz IKHIBKOTRSVINW-IAGOWNOFSA-N 1 0 324.509 3.305 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2)cc1F ZINC000102698605 431996691 /nfs/dbraw/zinc/99/66/91/431996691.db2.gz HSOGPOQYXUEBND-LBPRGKRZSA-N 1 0 302.349 3.124 10 0 DGAERO O[C@@H](C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)c1c(F)cccc1F ZINC000102845886 431998689 /nfs/dbraw/zinc/99/86/89/431998689.db2.gz QJQKQSLDEPHEMX-PBHICJAKSA-N 1 0 318.367 3.185 10 0 DGAERO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCCC1(C)C ZINC000102930877 432000522 /nfs/dbraw/zinc/00/05/22/432000522.db2.gz CVFRSVYGVSPCKB-LBPRGKRZSA-N 1 0 310.388 3.359 10 0 DGAERO CCCN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000248041852 432262697 /nfs/dbraw/zinc/26/26/97/432262697.db2.gz MDRLUARTXYQZKH-IRXDYDNUSA-N 1 0 301.434 3.016 10 0 DGAERO C[C@@H]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000248050540 432262706 /nfs/dbraw/zinc/26/27/06/432262706.db2.gz NSSCZZWJIQCRIL-WXSAJPJJSA-N 1 0 300.446 3.374 10 0 DGAERO Cc1cccc(NC[C@H]2CCN(c3nc4ccccc4[nH]3)C2)[nH+]1 ZINC000270602707 432263304 /nfs/dbraw/zinc/26/33/04/432263304.db2.gz WEPDKAOWALIVJQ-CQSZACIVSA-N 1 0 307.401 3.205 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1)c1cccc(O)c1 ZINC000191425282 432263444 /nfs/dbraw/zinc/26/34/44/432263444.db2.gz JDEKPWHABOOQKK-ZNMIVQPWSA-N 1 0 312.413 3.309 10 0 DGAERO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000248046515 432264301 /nfs/dbraw/zinc/26/43/01/432264301.db2.gz NDBAFVKKWAVRNE-OALUTQOASA-N 1 0 324.424 3.261 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000183177258 432265006 /nfs/dbraw/zinc/26/50/06/432265006.db2.gz NFGFYBSIAWGCPQ-SKDRFNHKSA-N 1 0 317.216 3.089 10 0 DGAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCCC3CCCC3)CC2)CCO1 ZINC000173253375 432266600 /nfs/dbraw/zinc/26/66/00/432266600.db2.gz UTJRXSJNWMSIID-MRXNPFEDSA-N 1 0 322.493 3.059 10 0 DGAERO COc1ccccc1CC1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000191471799 432267663 /nfs/dbraw/zinc/26/76/63/432267663.db2.gz JJEHWLYWQDGTOB-UHFFFAOYSA-N 1 0 311.429 3.127 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000191991787 432321667 /nfs/dbraw/zinc/32/16/67/432321667.db2.gz LPXMTOSJOXCHLF-LJQANCHMSA-N 1 0 321.428 3.251 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2ccccc2)n1 ZINC000152297285 432321986 /nfs/dbraw/zinc/32/19/86/432321986.db2.gz KEZAMRTYDHALMV-QZTJIDSGSA-N 1 0 311.429 3.400 10 0 DGAERO c1cc([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)n[nH]1 ZINC000248867695 432325831 /nfs/dbraw/zinc/32/58/31/432325831.db2.gz UEJXFNZDGMCOOO-HZPDHXFCSA-N 1 0 303.450 3.471 10 0 DGAERO O=C1O[C@@H](C[N@H+]2CC=C(c3cccs3)CC2)CC12CCC2 ZINC000192031045 432325976 /nfs/dbraw/zinc/32/59/76/432325976.db2.gz XNVJNCLEZYBJIY-CQSZACIVSA-N 1 0 303.427 3.323 10 0 DGAERO Cc1cc(C)cc(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000152337743 432326496 /nfs/dbraw/zinc/32/64/96/432326496.db2.gz XGFJOSKXTOQKEW-AEFFLSMTSA-N 1 0 302.462 3.177 10 0 DGAERO C[C@H](c1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000174175243 432327864 /nfs/dbraw/zinc/32/78/64/432327864.db2.gz ZQKRRYUTOVKRDW-CRAIPNDOSA-N 1 0 306.425 3.073 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)ccc1OC ZINC000248937045 432328551 /nfs/dbraw/zinc/32/85/51/432328551.db2.gz YKAGGBCQNYBLDA-SOVGHPHASA-N 1 0 319.445 3.450 10 0 DGAERO CSCc1cc(C(=O)NCC[N@H+](C)C2CCCC2)ccc1F ZINC000174194891 432328657 /nfs/dbraw/zinc/32/86/57/432328657.db2.gz DOEFUEFNBVIONE-UHFFFAOYSA-N 1 0 324.465 3.293 10 0 DGAERO CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000174233057 432331465 /nfs/dbraw/zinc/33/14/65/432331465.db2.gz MKAATHQJRCDABH-MSOLQXFVSA-N 1 0 317.477 3.133 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](C[C@@H]3CC[C@H](C)O3)C2)c1 ZINC000248958170 432331545 /nfs/dbraw/zinc/33/15/45/432331545.db2.gz OXMXKSPJUBMPPX-LZWOXQAQSA-N 1 0 305.418 3.061 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccsc1Cl ZINC000249008956 432333278 /nfs/dbraw/zinc/33/32/78/432333278.db2.gz WOMYTEGSNXKTCP-QWRGUYRKSA-N 1 0 313.854 3.492 10 0 DGAERO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000249041963 432333968 /nfs/dbraw/zinc/33/39/68/432333968.db2.gz NBMFAODBZVHLJB-NVXWUHKLSA-N 1 0 300.402 3.030 10 0 DGAERO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000249047992 432336218 /nfs/dbraw/zinc/33/62/18/432336218.db2.gz WUDNYCAJPIFMDL-LSDHHAIUSA-N 1 0 322.836 3.210 10 0 DGAERO CCOCC[N@@H+]1CCN(Cc2ccc(C(F)F)cc2)C[C@@H]1C ZINC000183939280 432336357 /nfs/dbraw/zinc/33/63/57/432336357.db2.gz NFTFQBOQSPJIAG-AWEZNQCLSA-N 1 0 312.404 3.167 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(O)c2)C12CCOCC2 ZINC000249061597 432336519 /nfs/dbraw/zinc/33/65/19/432336519.db2.gz YOUBMGXJCYEZAR-XOKHGSTOSA-N 1 0 305.418 3.017 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000174370500 432339314 /nfs/dbraw/zinc/33/93/14/432339314.db2.gz SCNUVVNQYOAJDM-CRWXNKLISA-N 1 0 322.424 3.273 10 0 DGAERO CC(=O)N1CCC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000249173616 432341067 /nfs/dbraw/zinc/34/10/67/432341067.db2.gz CYPGDXPLFVHTJW-MOPGFXCFSA-N 1 0 300.446 3.051 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CO2)CCN1Cc1ccccc1 ZINC000249191241 432341877 /nfs/dbraw/zinc/34/18/77/432341877.db2.gz OIBYGRFJDPLJKB-NZSAHSFTSA-N 1 0 300.446 3.322 10 0 DGAERO COc1cccc(CN2CC[C@H](C)[C@H](OC)C2)c1OC(F)F ZINC000249228958 432342900 /nfs/dbraw/zinc/34/29/00/432342900.db2.gz VIJBSMZEKXNESB-SMDDNHRTSA-N 1 0 315.360 3.153 10 0 DGAERO CSCCN1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184004710 432344179 /nfs/dbraw/zinc/34/41/79/432344179.db2.gz KMQMPJWDMSCPNV-ZDUSSCGKSA-N 1 0 305.365 3.442 10 0 DGAERO FC(F)(F)c1ccccc1[C@@H]1CN(C[C@@H]2CCCO2)CCO1 ZINC000184004531 432344274 /nfs/dbraw/zinc/34/42/74/432344274.db2.gz SPCOYCCMBMNHCL-WFASDCNBSA-N 1 0 315.335 3.258 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000249376206 432346135 /nfs/dbraw/zinc/34/61/35/432346135.db2.gz YLQTYQTUJUPRDH-ARFHVFGLSA-N 1 0 304.434 3.215 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](C)Cc3ccccc3)[C@@H]2C1 ZINC000249484791 432347876 /nfs/dbraw/zinc/34/78/76/432347876.db2.gz XUEKMJVFIODBHE-OWYHZJEWSA-N 1 0 303.446 3.134 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccnn1C ZINC000192250322 432350385 /nfs/dbraw/zinc/35/03/85/432350385.db2.gz OFDQQPKGTIJOOB-QMMMGPOBSA-N 1 0 300.225 3.095 10 0 DGAERO OCC1([NH2+]C2CC(c3ccc(Br)cc3)C2)CCC1 ZINC000184063702 432350429 /nfs/dbraw/zinc/35/04/29/432350429.db2.gz UVUZPXZOHONHSP-UHFFFAOYSA-N 1 0 310.235 3.200 10 0 DGAERO CCOc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)ccc1OC ZINC000184056329 432350951 /nfs/dbraw/zinc/35/09/51/432350951.db2.gz ROMXFZWSDYNOJB-DLBZAZTESA-N 1 0 318.461 3.153 10 0 DGAERO CCC1=C(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCCO1 ZINC000249580112 432350930 /nfs/dbraw/zinc/35/09/30/432350930.db2.gz NAZVOCNJOLWFOF-WMZOPIPTSA-N 1 0 314.429 3.023 10 0 DGAERO Cc1nc(C)c(C[N@@H+]2C[C@@H](CO)[C@@H](c3ccsc3)C2)s1 ZINC000249577153 432351326 /nfs/dbraw/zinc/35/13/26/432351326.db2.gz PUVJHMRGWOFOLG-UONOGXRCSA-N 1 0 308.472 3.029 10 0 DGAERO Cc1cccc(-c2noc(C[N@@H+](C)[C@]3(CO)CC[C@@H](C)C3)n2)c1 ZINC000249596748 432352263 /nfs/dbraw/zinc/35/22/63/432352263.db2.gz XAYNPOQRSHKUAU-RDTXWAMCSA-N 1 0 315.417 3.028 10 0 DGAERO CCN(C)c1ccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)cn1 ZINC000249635570 432352901 /nfs/dbraw/zinc/35/29/01/432352901.db2.gz RXUNJEWFPHYKLY-WMLDXEAASA-N 1 0 311.429 3.192 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1cc(Cl)nc(C2CC2)n1 ZINC000271201475 432353325 /nfs/dbraw/zinc/35/33/25/432353325.db2.gz QGAHDYGLBAXPER-OLZOCXBDSA-N 1 0 306.841 3.070 10 0 DGAERO C[C@H](c1ccc(F)cc1)[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000249685409 432353691 /nfs/dbraw/zinc/35/36/91/432353691.db2.gz GHWSDVPEYGFVQG-HUUCEWRRSA-N 1 0 306.425 3.072 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000174520424 432353868 /nfs/dbraw/zinc/35/38/68/432353868.db2.gz GILUYESZAFPDKU-CQSZACIVSA-N 1 0 307.482 3.081 10 0 DGAERO C[C@@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC(C)(C)C1 ZINC000248612793 432307318 /nfs/dbraw/zinc/30/73/18/432307318.db2.gz WMXPAOCNAALXMH-IXDOHACOSA-N 1 0 306.494 3.393 10 0 DGAERO COCc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2F)o1 ZINC000248630435 432307605 /nfs/dbraw/zinc/30/76/05/432307605.db2.gz RQYKTHXYASFWAZ-IAGOWNOFSA-N 1 0 319.376 3.436 10 0 DGAERO Cc1cnn(CCCCCN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000173930506 432308580 /nfs/dbraw/zinc/30/85/80/432308580.db2.gz BBCPJVIOGHXEGC-MOPGFXCFSA-N 1 0 318.509 3.309 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)C1 ZINC000183621552 432309935 /nfs/dbraw/zinc/30/99/35/432309935.db2.gz KTGKFNJRWATAFN-MSOLQXFVSA-N 1 0 315.461 3.263 10 0 DGAERO CCCC[C@H](CC)C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000183640805 432310956 /nfs/dbraw/zinc/31/09/56/432310956.db2.gz PMELJYOIOSTPPL-OALUTQOASA-N 1 0 309.542 3.305 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2c(c1)COC(C)(C)O2 ZINC000248690666 432311766 /nfs/dbraw/zinc/31/17/66/432311766.db2.gz AVDBYHFEKHIVMK-YOEHRIQHSA-N 1 0 316.445 3.000 10 0 DGAERO CC(C)c1nnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)n1C ZINC000191889280 432312296 /nfs/dbraw/zinc/31/22/96/432312296.db2.gz LBKKSGUPRRGNJT-SJORKVTESA-N 1 0 312.461 3.440 10 0 DGAERO COC(=O)[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccccc1F ZINC000173990045 432312490 /nfs/dbraw/zinc/31/24/90/432312490.db2.gz XWWRLXTYLAPHLP-KRWDZBQOSA-N 1 0 314.360 3.097 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCCc2sccc21 ZINC000248691993 432312552 /nfs/dbraw/zinc/31/25/52/432312552.db2.gz BFJQVDVJTLJTLY-NFAWXSAZSA-N 1 0 319.474 3.004 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000248725013 432314021 /nfs/dbraw/zinc/31/40/21/432314021.db2.gz MXHSBEBPRNJMDB-NFAWXSAZSA-N 1 0 321.490 3.250 10 0 DGAERO Cn1nccc1C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000152216192 432314528 /nfs/dbraw/zinc/31/45/28/432314528.db2.gz CZHGXOWHUQZRKJ-AWEZNQCLSA-N 1 0 311.307 3.096 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1scnc1C1CCCC1 ZINC000184315479 432377884 /nfs/dbraw/zinc/37/78/84/432377884.db2.gz SJPQECWCZUWUJP-CYBMUJFWSA-N 1 0 321.490 3.405 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000184311252 432378376 /nfs/dbraw/zinc/37/83/76/432378376.db2.gz FGSMZXBBNYHROW-DLBZAZTESA-N 1 0 318.486 3.466 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C(F)F)c1 ZINC000174971869 432385306 /nfs/dbraw/zinc/38/53/06/432385306.db2.gz FOMOSWKTOVADSD-LSDHHAIUSA-N 1 0 308.372 3.323 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(Br)c1 ZINC000252673499 432386298 /nfs/dbraw/zinc/38/62/98/432386298.db2.gz JXPYNDXZKYTPDF-DOMZBBRYSA-N 1 0 309.251 3.118 10 0 DGAERO O=C(c1scnc1C1CCCC1)N1CCN2CCCC[C@@H]2C1 ZINC000184389016 432386768 /nfs/dbraw/zinc/38/67/68/432386768.db2.gz ONNKDZXQYCMDEY-CQSZACIVSA-N 1 0 319.474 3.111 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccc(Cl)cc1 ZINC000174987584 432387167 /nfs/dbraw/zinc/38/71/67/432387167.db2.gz ONODNGUMQRHCSE-IAGOWNOFSA-N 1 0 320.864 3.358 10 0 DGAERO CC(C)CC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C(C)(C)C ZINC000174997652 432387234 /nfs/dbraw/zinc/38/72/34/432387234.db2.gz QYUCSJIEZZVYKG-IRXDYDNUSA-N 1 0 321.509 3.493 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](OC(C)(C)C)c2ccccc2)C1 ZINC000153208876 432392044 /nfs/dbraw/zinc/39/20/44/432392044.db2.gz JXVXCIBVAZGTEJ-IAGOWNOFSA-N 1 0 318.461 3.143 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000175061176 432393228 /nfs/dbraw/zinc/39/32/28/432393228.db2.gz QQBUGCOIYJSRKJ-GJZGRUSLSA-N 1 0 319.449 3.420 10 0 DGAERO Fc1cccc(-c2cnc(C[N@H+](C[C@H]3CCOC3)C3CC3)o2)c1 ZINC000175090096 432395607 /nfs/dbraw/zinc/39/56/07/432395607.db2.gz DVPCXKXGIYGGKQ-CYBMUJFWSA-N 1 0 316.376 3.482 10 0 DGAERO CO[C@@H](C)c1noc(CN2CCC[C@@H]2Cc2cccc(F)c2)n1 ZINC000175102970 432397273 /nfs/dbraw/zinc/39/72/73/432397273.db2.gz DXFXKJSCAPELNI-SWLSCSKDSA-N 1 0 319.380 3.123 10 0 DGAERO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccnn2C)cc1OC ZINC000192670863 432397939 /nfs/dbraw/zinc/39/79/39/432397939.db2.gz JDMFNPGNFDLMNF-CHWSQXEVSA-N 1 0 303.406 3.158 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)c1ccccc1F ZINC000253548154 432399776 /nfs/dbraw/zinc/39/97/76/432399776.db2.gz DPWYWCQVBKCRQN-KFWWJZLASA-N 1 0 304.409 3.014 10 0 DGAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)N(C)Cc1ccccc1 ZINC000192677269 432399848 /nfs/dbraw/zinc/39/98/48/432399848.db2.gz NKWMSKJHXJSLKT-KBPBESRZSA-N 1 0 302.443 3.446 10 0 DGAERO Cc1cc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c(C)s1 ZINC000192709759 432404229 /nfs/dbraw/zinc/40/42/29/432404229.db2.gz FXODQUSZRAYCCR-CYBMUJFWSA-N 1 0 316.474 3.475 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nc(C(F)F)nc2ccccc21 ZINC000175167400 432406585 /nfs/dbraw/zinc/40/65/85/432406585.db2.gz YWVPDJCRXGXZIB-LBPRGKRZSA-N 1 0 320.387 3.488 10 0 DGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000249750335 432356108 /nfs/dbraw/zinc/35/61/08/432356108.db2.gz GKSSLNNKXSQZRR-BFHYXJOUSA-N 1 0 322.449 3.048 10 0 DGAERO O=C(CC[N@@H+]1CCO[C@H]2CCCC[C@H]21)Nc1ccccc1Cl ZINC000249745671 432356925 /nfs/dbraw/zinc/35/69/25/432356925.db2.gz ZJEBSIOEDOTRER-CVEARBPZSA-N 1 0 322.836 3.312 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000249811461 432358158 /nfs/dbraw/zinc/35/81/58/432358158.db2.gz ZHBVEERVUKAMDF-CHWSQXEVSA-N 1 0 309.841 3.185 10 0 DGAERO C[C@](O)(CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000249789856 432358255 /nfs/dbraw/zinc/35/82/55/432358255.db2.gz FBWQHELXIXTROP-MANSERQUSA-N 1 0 315.457 3.222 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccccc3)C2)n1 ZINC000249872787 432360249 /nfs/dbraw/zinc/36/02/49/432360249.db2.gz KKYJVTSAFHIESO-HZPDHXFCSA-N 1 0 302.443 3.365 10 0 DGAERO Cc1c(C[NH+]2CCSCC2)cccc1NCc1cocn1 ZINC000192330576 432360307 /nfs/dbraw/zinc/36/03/07/432360307.db2.gz BBKCRNSYBQWEPX-UHFFFAOYSA-N 1 0 303.431 3.144 10 0 DGAERO OCC1CN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)C1 ZINC000192354778 432364143 /nfs/dbraw/zinc/36/41/43/432364143.db2.gz KKXQPUGDYHEOJM-UHFFFAOYSA-N 1 0 306.365 3.456 10 0 DGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192359006 432364624 /nfs/dbraw/zinc/36/46/24/432364624.db2.gz KZIRXBLGEHCCQW-WFASDCNBSA-N 1 0 304.434 3.053 10 0 DGAERO COCc1ccc(C[N@@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)cc1 ZINC000250130221 432365875 /nfs/dbraw/zinc/36/58/75/432365875.db2.gz WYCROXAAUROYJB-QZTJIDSGSA-N 1 0 317.454 3.102 10 0 DGAERO C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CCC[C@H]1O ZINC000250232499 432366308 /nfs/dbraw/zinc/36/63/08/432366308.db2.gz NAGGKCIENNMOKR-WDEREUQCSA-N 1 0 304.253 3.103 10 0 DGAERO CO[C@H](C)c1nc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)cs1 ZINC000251497328 432369732 /nfs/dbraw/zinc/36/97/32/432369732.db2.gz DQVGBSYHNXYKJC-VHDGCEQUSA-N 1 0 320.462 3.321 10 0 DGAERO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)c1cc2ccccc2o1 ZINC000152943292 432370647 /nfs/dbraw/zinc/37/06/47/432370647.db2.gz LHJUEPHOQGXOJF-YUELXQCFSA-N 1 0 300.402 3.470 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1coc(-c2cccc(F)c2)n1 ZINC000175354016 432428052 /nfs/dbraw/zinc/42/80/52/432428052.db2.gz TYLODFJCJHNOQX-KRWDZBQOSA-N 1 0 317.408 3.397 10 0 DGAERO Cc1csc([C@@H]2CCCN(CC[NH+]3CCC(C)CC3)C2)n1 ZINC000153652237 432429362 /nfs/dbraw/zinc/42/93/62/432429362.db2.gz HBBDRZHIBPMKRG-MRXNPFEDSA-N 1 0 307.507 3.363 10 0 DGAERO c1ccc(N2CC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000271942964 432430337 /nfs/dbraw/zinc/43/03/37/432430337.db2.gz PCGGLOWQLLCQED-GDAAHCPNSA-N 1 0 312.457 3.203 10 0 DGAERO CC(C)C[C@H](C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000184756402 432430962 /nfs/dbraw/zinc/43/09/62/432430962.db2.gz VWXCLEBFTGHMTK-INIZCTEOSA-N 1 0 320.477 3.316 10 0 DGAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000153669012 432432813 /nfs/dbraw/zinc/43/28/13/432432813.db2.gz RETCTNCZQFEHAR-LJQANCHMSA-N 1 0 308.425 3.383 10 0 DGAERO CCN(CC(C)C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000192960945 432433510 /nfs/dbraw/zinc/43/35/10/432433510.db2.gz IVZFLGAHSRWFTC-UHFFFAOYSA-N 1 0 317.477 3.470 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000261626165 432434192 /nfs/dbraw/zinc/43/41/92/432434192.db2.gz COWWCXQASFLYRT-RRQGHBQHSA-N 1 0 315.392 3.040 10 0 DGAERO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000175514467 432443148 /nfs/dbraw/zinc/44/31/48/432443148.db2.gz KVLFTTQONPDTPA-SJLPKXTDSA-N 1 0 315.461 3.265 10 0 DGAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1sccc1C ZINC000261733077 432444763 /nfs/dbraw/zinc/44/47/63/432444763.db2.gz OOKRQNAAROKDDR-HNNXBMFYSA-N 1 0 302.443 3.212 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000184930794 432445883 /nfs/dbraw/zinc/44/58/83/432445883.db2.gz ZPYULKQMNCJTNO-CABCVRRESA-N 1 0 315.461 3.128 10 0 DGAERO C[C@H]1C[N@H+](Cc2cccc(N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000261746290 432446182 /nfs/dbraw/zinc/44/61/82/432446182.db2.gz VLXDLIYFDBSQMD-UGSOOPFHSA-N 1 0 300.377 3.370 10 0 DGAERO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCc2ccsc2)cc1 ZINC000184933185 432447204 /nfs/dbraw/zinc/44/72/04/432447204.db2.gz UBBIEYXIPRXTGO-AWEZNQCLSA-N 1 0 323.483 3.051 10 0 DGAERO CCOC(C[N@@H+]1CCC[C@H]1Cc1ccccc1OC)OCC ZINC000184957175 432448672 /nfs/dbraw/zinc/44/86/72/432448672.db2.gz IEAWQTJUJVOSAQ-INIZCTEOSA-N 1 0 307.434 3.101 10 0 DGAERO CC[C@H](OC1CCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261812123 432453150 /nfs/dbraw/zinc/45/31/50/432453150.db2.gz WYJRQQHEBKPMFC-INIZCTEOSA-N 1 0 320.408 3.148 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)on2)cn1 ZINC000185009774 432455469 /nfs/dbraw/zinc/45/54/69/432455469.db2.gz AVXGFJZCVAHFSA-MRXNPFEDSA-N 1 0 322.412 3.140 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccccc1)c1ccsc1 ZINC000193216033 432457497 /nfs/dbraw/zinc/45/74/97/432457497.db2.gz VKBGLGQOABWKOB-KRWDZBQOSA-N 1 0 316.470 3.490 10 0 DGAERO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000193218907 432457588 /nfs/dbraw/zinc/45/75/88/432457588.db2.gz PHNGARAXYQZUHL-STQMWFEESA-N 1 0 318.442 3.112 10 0 DGAERO Clc1ccc(/C=C\C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000255571571 432410930 /nfs/dbraw/zinc/41/09/30/432410930.db2.gz FVKKOPFIUCQGBT-SWQCVOCJSA-N 1 0 302.809 3.282 10 0 DGAERO Cc1ccccc1[C@H](CC(C)C)NCc1nc(N(C)C)no1 ZINC000192782670 432412316 /nfs/dbraw/zinc/41/23/16/432412316.db2.gz UEUXBVOKDMCAOK-HNNXBMFYSA-N 1 0 302.422 3.321 10 0 DGAERO CN(C)c1noc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000192782390 432412561 /nfs/dbraw/zinc/41/25/61/432412561.db2.gz KYQNKXJUKZAWIF-HNNXBMFYSA-N 1 0 320.824 3.420 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)C1CCCC1 ZINC000184611574 432413191 /nfs/dbraw/zinc/41/31/91/432413191.db2.gz WFCKFPTZDOVCBX-CYBMUJFWSA-N 1 0 308.853 3.167 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc(Cl)c1 ZINC000192812471 432419403 /nfs/dbraw/zinc/41/94/03/432419403.db2.gz UJENWYFSCXGKOQ-BBRMVZONSA-N 1 0 316.836 3.450 10 0 DGAERO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000192840381 432420501 /nfs/dbraw/zinc/42/05/01/432420501.db2.gz DOPZRUUZDACLPA-OAHLLOKOSA-N 1 0 318.461 3.383 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1F ZINC000192841676 432420742 /nfs/dbraw/zinc/42/07/42/432420742.db2.gz GKQYQNZTYUXPCY-ZDUSSCGKSA-N 1 0 322.424 3.132 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1ccccc1Cl ZINC000175336262 432424542 /nfs/dbraw/zinc/42/45/42/432424542.db2.gz PDUZMENPLCQTJY-AWEZNQCLSA-N 1 0 323.868 3.085 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1csc(-c2ccoc2)n1 ZINC000175338790 432426081 /nfs/dbraw/zinc/42/60/81/432426081.db2.gz BCNGPQLUJHTIES-HNNXBMFYSA-N 1 0 305.447 3.319 10 0 DGAERO CCC1(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCC1 ZINC000175879512 432474134 /nfs/dbraw/zinc/47/41/34/432474134.db2.gz XCVSILYNAQFZRB-AWEZNQCLSA-N 1 0 305.422 3.048 10 0 DGAERO CCC1(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCC1 ZINC000175882657 432474964 /nfs/dbraw/zinc/47/49/64/432474964.db2.gz ZENKRNGHCBKDDA-OAHLLOKOSA-N 1 0 307.413 3.060 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccccn3)C2)c1 ZINC000154151877 432477212 /nfs/dbraw/zinc/47/72/12/432477212.db2.gz ZKKMOEJLTGUBPL-CVEARBPZSA-N 1 0 311.429 3.267 10 0 DGAERO COCCC1(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC000154144703 432477353 /nfs/dbraw/zinc/47/73/53/432477353.db2.gz VDGMOTHHKYHTKF-QGZVFWFLSA-N 1 0 322.493 3.060 10 0 DGAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000262211074 432478419 /nfs/dbraw/zinc/47/84/19/432478419.db2.gz OCCUYLNHNYKTIQ-CVEARBPZSA-N 1 0 317.433 3.190 10 0 DGAERO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(F)cc1F ZINC000175946223 432480828 /nfs/dbraw/zinc/48/08/28/432480828.db2.gz GSSAAFMJXYQUPI-KRWDZBQOSA-N 1 0 318.367 3.306 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)CC[NH2+]1 ZINC000262337748 432483297 /nfs/dbraw/zinc/48/32/97/432483297.db2.gz GJKSBSDQSKEUFY-SLEUVZQESA-N 1 0 322.836 3.058 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](c2nncn2C)C1 ZINC000185270161 432483861 /nfs/dbraw/zinc/48/38/61/432483861.db2.gz LQPGFXATPRNCQB-OAHLLOKOSA-N 1 0 321.428 3.364 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1noc(C2CCCCC2)n1 ZINC000154234972 432484750 /nfs/dbraw/zinc/48/47/50/432484750.db2.gz CWXOEMXNTAQIAM-HNNXBMFYSA-N 1 0 306.454 3.033 10 0 DGAERO CC[C@H]1CCCC[C@H]1OCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000185281122 432485509 /nfs/dbraw/zinc/48/55/09/432485509.db2.gz QIJLEAMZYLVXCI-JYSRZZCRSA-N 1 0 324.509 3.208 10 0 DGAERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c(Cl)c1 ZINC000262421198 432486632 /nfs/dbraw/zinc/48/66/32/432486632.db2.gz DYZAXXBUHDBFTA-HYSWKAIVSA-N 1 0 322.836 3.119 10 0 DGAERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c(Cl)c1 ZINC000262421201 432486793 /nfs/dbraw/zinc/48/67/93/432486793.db2.gz DYZAXXBUHDBFTA-JDSLSITLSA-N 1 0 322.836 3.119 10 0 DGAERO CCc1nc2n(n1)C[C@H](Nc1c(C)c[nH+]c3c(C)cccc13)CC2 ZINC000185299029 432487066 /nfs/dbraw/zinc/48/70/66/432487066.db2.gz JJWAZGOGTHVZKS-CQSZACIVSA-N 1 0 321.428 3.432 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(C)(C)SC)cc1NC(C)=O ZINC000154289765 432487657 /nfs/dbraw/zinc/48/76/57/432487657.db2.gz FYPCWHMLXUFFQV-LLVKDONJSA-N 1 0 310.463 3.446 10 0 DGAERO CC(C)[C@H]1CCCC[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262491921 432488035 /nfs/dbraw/zinc/48/80/35/432488035.db2.gz HSBXOBHYCATSKE-FBJPGRFESA-N 1 0 306.494 3.471 10 0 DGAERO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000193700612 432491405 /nfs/dbraw/zinc/49/14/05/432491405.db2.gz IJQMJQWDQVRREN-OLZOCXBDSA-N 1 0 308.388 3.154 10 0 DGAERO CCOCc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000176337096 432512766 /nfs/dbraw/zinc/51/27/66/432512766.db2.gz QQQUHBAWIBVTGS-KRWDZBQOSA-N 1 0 319.449 3.171 10 0 DGAERO CN(CC1CCCCC1)C(=O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000193700241 432492265 /nfs/dbraw/zinc/49/22/65/432492265.db2.gz BYUHYXGIWAIHAE-CQSZACIVSA-N 1 0 320.399 3.299 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000185344921 432493457 /nfs/dbraw/zinc/49/34/57/432493457.db2.gz OJZVLRTZJJQTTD-QGZVFWFLSA-N 1 0 306.450 3.087 10 0 DGAERO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H](CO)CC(C)C)c2cc1C ZINC000185371473 432495567 /nfs/dbraw/zinc/49/55/67/432495567.db2.gz UUEFBTGPGFHSBA-INIZCTEOSA-N 1 0 317.429 3.249 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCc1ccsc1 ZINC000193757583 432496281 /nfs/dbraw/zinc/49/62/81/432496281.db2.gz LVAWZEDZXIGKHV-HNNXBMFYSA-N 1 0 323.506 3.244 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000176142386 432496526 /nfs/dbraw/zinc/49/65/26/432496526.db2.gz TZGYXKURENUBLX-OAHLLOKOSA-N 1 0 305.466 3.149 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1F ZINC000154396585 432496508 /nfs/dbraw/zinc/49/65/08/432496508.db2.gz BBIJTZPYHHSGRY-CYBMUJFWSA-N 1 0 311.376 3.207 10 0 DGAERO Cc1ccc([C@H]([NH3+])C(=O)NCc2ccccc2OC2CCC2)cc1 ZINC000262669583 432497653 /nfs/dbraw/zinc/49/76/53/432497653.db2.gz RAANOLCIGFJNSW-IBGZPJMESA-N 1 0 324.424 3.243 10 0 DGAERO Cc1cc(NC(=O)[C@@H](C)CC(C)C)n(-c2cc(C)nc(C)n2)n1 ZINC000185462688 432501925 /nfs/dbraw/zinc/50/19/25/432501925.db2.gz KHCREULHJIIAPY-NSHDSACASA-N 1 0 315.421 3.208 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C/C=C/c2cccc(F)c2)C1 ZINC000176258132 432504777 /nfs/dbraw/zinc/50/47/77/432504777.db2.gz GMQCWJAARZOWAP-PFWMLDTASA-N 1 0 318.436 3.466 10 0 DGAERO CC[NH+](CC)CCCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000185498433 432505652 /nfs/dbraw/zinc/50/56/52/432505652.db2.gz LJORCXPXKFMFIP-UHFFFAOYSA-N 1 0 313.392 3.155 10 0 DGAERO CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC([NH+](C)C)CC1 ZINC000176340523 432513120 /nfs/dbraw/zinc/51/31/20/432513120.db2.gz BASZFNWOUFQEMW-HNNXBMFYSA-N 1 0 324.852 3.050 10 0 DGAERO CN(C)c1nc(CN2CCC[C@](C)(c3ccccc3)C2)ns1 ZINC000154574586 432508002 /nfs/dbraw/zinc/50/80/02/432508002.db2.gz LSHJFCDJXYDFMD-KRWDZBQOSA-N 1 0 316.474 3.158 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(F)cc1OC(F)F ZINC000154635214 432510940 /nfs/dbraw/zinc/51/09/40/432510940.db2.gz YRDAVNBTDGVMAN-JQWIXIFHSA-N 1 0 302.340 3.172 10 0 DGAERO c1cncc([C@H]2C[NH2+]CCN2Cc2ccc(OCC3CC3)cc2)c1 ZINC000261914649 432460050 /nfs/dbraw/zinc/46/00/50/432460050.db2.gz JRFOEJBUCQNUPL-HXUWFJFHSA-N 1 0 323.440 3.017 10 0 DGAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000175761789 432462797 /nfs/dbraw/zinc/46/27/97/432462797.db2.gz LXUYXRJOKZXOEX-VQTJNVASSA-N 1 0 315.457 3.386 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)o1 ZINC000261963675 432464851 /nfs/dbraw/zinc/46/48/51/432464851.db2.gz LBUHXKCVTJKCKZ-RFJMFJJWSA-N 1 0 316.445 3.092 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000175811689 432467934 /nfs/dbraw/zinc/46/79/34/432467934.db2.gz MUILYTVXBDCIJI-AWEZNQCLSA-N 1 0 307.438 3.247 10 0 DGAERO CN(Cc1nc2ccc(F)cc2s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262017274 432468149 /nfs/dbraw/zinc/46/81/49/432468149.db2.gz VTJJETRNOKEIFB-FUNVUKJBSA-N 1 0 305.422 3.150 10 0 DGAERO C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000262017586 432469015 /nfs/dbraw/zinc/46/90/15/432469015.db2.gz XDAHVNBSOTZETN-GHMZBOCLSA-N 1 0 315.339 3.215 10 0 DGAERO COCCC1(c2nc(-c3ccc(C[NH3+])cc3)no2)CCCC1 ZINC000262025353 432469896 /nfs/dbraw/zinc/46/98/96/432469896.db2.gz NOWHHHBFZZOAHD-UHFFFAOYSA-N 1 0 301.390 3.044 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1c[nH]c(-c2ccccc2)n1 ZINC000262035922 432470398 /nfs/dbraw/zinc/47/03/98/432470398.db2.gz OPFZMQWXNPVFGM-UHFFFAOYSA-N 1 0 320.440 3.080 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000155308290 432548668 /nfs/dbraw/zinc/54/86/68/432548668.db2.gz ALRDGRKYDRCCDL-HIFRSBDPSA-N 1 0 316.474 3.120 10 0 DGAERO CC[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000155492015 432557784 /nfs/dbraw/zinc/55/77/84/432557784.db2.gz AYSABWCAJWPOCE-KBPBESRZSA-N 1 0 324.494 3.158 10 0 DGAERO CCN(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000194527034 432557878 /nfs/dbraw/zinc/55/78/78/432557878.db2.gz UZAORQCLKYAIFF-GOSISDBHSA-N 1 0 315.461 3.235 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3ccccc3s2)[C@@H](C)C1 ZINC000155536083 432559522 /nfs/dbraw/zinc/55/95/22/432559522.db2.gz HEHQWCPNUSYQNG-JSGCOSHPSA-N 1 0 302.443 3.360 10 0 DGAERO Cc1cccc(NC[C@@H]2CCN(c3ccncc3Cl)C2)[nH+]1 ZINC000176894512 432562832 /nfs/dbraw/zinc/56/28/32/432562832.db2.gz OKTGTNIIGKUHQJ-ZDUSSCGKSA-N 1 0 302.809 3.377 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000194631206 432564184 /nfs/dbraw/zinc/56/41/84/432564184.db2.gz UAUDMRIQFTXLJE-ZDUSSCGKSA-N 1 0 315.244 3.136 10 0 DGAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000263057513 432517554 /nfs/dbraw/zinc/51/75/54/432517554.db2.gz VAVJMVHKEIVHGS-ICSRJNTNSA-N 1 0 323.440 3.272 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1OC ZINC000176388209 432518363 /nfs/dbraw/zinc/51/83/63/432518363.db2.gz AMHBAJHYXDCUKX-OAHLLOKOSA-N 1 0 305.418 3.285 10 0 DGAERO CC(C)COC[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000194032742 432519412 /nfs/dbraw/zinc/51/94/12/432519412.db2.gz CJIKIUGJHSCUEL-DLBZAZTESA-N 1 0 311.853 3.414 10 0 DGAERO Cc1csc([C@H]2CCCCN2C(=O)CCC2CC[NH2+]CC2)n1 ZINC000263174518 432523867 /nfs/dbraw/zinc/52/38/67/432523867.db2.gz GBNCJUPXLCJDAN-OAHLLOKOSA-N 1 0 321.490 3.285 10 0 DGAERO Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])C2)n1 ZINC000263172327 432524496 /nfs/dbraw/zinc/52/44/96/432524496.db2.gz FWJWURLMNAVOMQ-KEYYUXOJSA-N 1 0 321.490 3.065 10 0 DGAERO Cc1ccccc1SCC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176910444 432564426 /nfs/dbraw/zinc/56/44/26/432564426.db2.gz KPWXCTLLRKBWIN-UHFFFAOYSA-N 1 0 315.442 3.182 10 0 DGAERO CCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000154880384 432527502 /nfs/dbraw/zinc/52/75/02/432527502.db2.gz FRUOETQDNGCLNI-MRXNPFEDSA-N 1 0 303.450 3.491 10 0 DGAERO Cc1[nH]c2ccc(CNC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])cc2c1C ZINC000263296043 432531326 /nfs/dbraw/zinc/53/13/26/432531326.db2.gz WIFSPMREFAIPJG-VQIMIIECSA-N 1 0 313.445 3.309 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000185781520 432532400 /nfs/dbraw/zinc/53/24/00/432532400.db2.gz RNGMLSAIGUFGES-UONOGXRCSA-N 1 0 300.402 3.344 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c(C)nn(C)c1C ZINC000155028907 432534816 /nfs/dbraw/zinc/53/48/16/432534816.db2.gz ASZPTIMLOJMELV-KRWDZBQOSA-N 1 0 313.445 3.253 10 0 DGAERO CCCOc1ccc(NC(=O)N[C@H]2CCC[N@H+](CC)C2)c(C)c1 ZINC000194354347 432545333 /nfs/dbraw/zinc/54/53/33/432545333.db2.gz NIVASWNZXYWPGH-HNNXBMFYSA-N 1 0 319.449 3.390 10 0 DGAERO CS[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156770915 432605881 /nfs/dbraw/zinc/60/58/81/432605881.db2.gz UNRXNKRFVZEUQT-MGPQQGTHSA-N 1 0 316.511 3.363 10 0 DGAERO Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000186568379 432609356 /nfs/dbraw/zinc/60/93/56/432609356.db2.gz SRJGXAXGQAFPAB-MRXNPFEDSA-N 1 0 312.413 3.340 10 0 DGAERO Cc1csc([C@@H]2CCCN(Cc3nnc(C)n3C3CC3)C2)n1 ZINC000156985638 432611915 /nfs/dbraw/zinc/61/19/15/432611915.db2.gz HXEOYUKVEQPAIT-CYBMUJFWSA-N 1 0 317.462 3.066 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C(C)C ZINC000157222788 432616670 /nfs/dbraw/zinc/61/66/70/432616670.db2.gz XILDGKQVEOMFAY-INMHGKMJSA-N 1 0 305.466 3.219 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+][C@H](C)Cc1c(C)nn(C)c1C ZINC000186177999 432566106 /nfs/dbraw/zinc/56/61/06/432566106.db2.gz XIMLGHPODLJDDH-ZYHUDNBSSA-N 1 0 307.463 3.389 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C12CCOCC2 ZINC000186195840 432568263 /nfs/dbraw/zinc/56/82/63/432568263.db2.gz QAGJCJOZDCUXJX-HOTGVXAUSA-N 1 0 309.837 3.404 10 0 DGAERO C[C@H](Sc1ccccc1Cl)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194694077 432568836 /nfs/dbraw/zinc/56/88/36/432568836.db2.gz CQPCKVDRYLWWRS-RYUDHWBXSA-N 1 0 312.866 3.031 10 0 DGAERO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)oc2c1c(C)ccc2C ZINC000194688430 432568958 /nfs/dbraw/zinc/56/89/58/432568958.db2.gz FVTWPKYALGWUBJ-AWEZNQCLSA-N 1 0 300.402 3.182 10 0 DGAERO CCc1noc(C)c1NC(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000155742634 432571406 /nfs/dbraw/zinc/57/14/06/432571406.db2.gz CAMPACVNHAWHLM-AWEZNQCLSA-N 1 0 310.442 3.033 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000194734663 432571638 /nfs/dbraw/zinc/57/16/38/432571638.db2.gz SWTYTPSYGMJAFU-SFHVURJKSA-N 1 0 308.425 3.029 10 0 DGAERO CCc1noc(C)c1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000155781282 432572682 /nfs/dbraw/zinc/57/26/82/432572682.db2.gz IJCRUJXSPKGPOV-ZDUSSCGKSA-N 1 0 310.442 3.033 10 0 DGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCCCCc1cccs1 ZINC000155762045 432573534 /nfs/dbraw/zinc/57/35/34/432573534.db2.gz MOPOTRQUIORBOU-GJZGRUSLSA-N 1 0 308.491 3.402 10 0 DGAERO COc1ccc([C@H](C)CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000177012437 432575261 /nfs/dbraw/zinc/57/52/61/432575261.db2.gz KJGOCEWSGFICDD-INMHGKMJSA-N 1 0 318.461 3.130 10 0 DGAERO CCOc1ccccc1C[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186266640 432576134 /nfs/dbraw/zinc/57/61/34/432576134.db2.gz OSVXSSXDKVUJCL-MSOLQXFVSA-N 1 0 319.445 3.149 10 0 DGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000194809352 432578580 /nfs/dbraw/zinc/57/85/80/432578580.db2.gz VHRNCKSTWJLKDB-ZIAGYGMSSA-N 1 0 322.449 3.001 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CC)cc2)C12CCOCC2 ZINC000186296693 432578868 /nfs/dbraw/zinc/57/88/68/432578868.db2.gz HQUZKTSSGUFDDS-ROUUACIJSA-N 1 0 303.446 3.313 10 0 DGAERO CCOC(=O)c1cccnc1SCc1cnc2ccccn12 ZINC000155961792 432584459 /nfs/dbraw/zinc/58/44/59/432584459.db2.gz LBGPVXZCJGJPQX-UHFFFAOYSA-N 1 0 313.382 3.198 10 0 DGAERO CC(C)Oc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177124247 432587400 /nfs/dbraw/zinc/58/74/00/432587400.db2.gz GZULBYKRJSDUFY-LSDHHAIUSA-N 1 0 317.433 3.174 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000177121766 432587791 /nfs/dbraw/zinc/58/77/91/432587791.db2.gz PBUQEXGIJFDFRL-CQSZACIVSA-N 1 0 322.330 3.137 10 0 DGAERO Cn1ccnc1C[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000263888811 432588546 /nfs/dbraw/zinc/58/85/46/432588546.db2.gz KOAIEXKQWWVVRY-UHFFFAOYSA-N 1 0 321.424 3.331 10 0 DGAERO CCc1nnc(CN(C)Cc2c3ccccc3oc2CC)n1C ZINC000195038247 432596413 /nfs/dbraw/zinc/59/64/13/432596413.db2.gz FMETYLBEPPLWHB-UHFFFAOYSA-N 1 0 312.417 3.318 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2c(C)cccc2OC)CC1 ZINC000195040969 432596646 /nfs/dbraw/zinc/59/66/46/432596646.db2.gz ZSCBCNKDNHTPJN-UHFFFAOYSA-N 1 0 319.449 3.247 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)c2cc3cc(Cl)ccc3o2)C[N@@H+]1C1CC1 ZINC000177201870 432597885 /nfs/dbraw/zinc/59/78/85/432597885.db2.gz UIVAZDQGSLSHOC-GXFFZTMASA-N 1 0 318.804 3.441 10 0 DGAERO O=C(CCc1ccc(Cl)s1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195054173 432598847 /nfs/dbraw/zinc/59/88/47/432598847.db2.gz KVBLNZBTYKQBML-GFCCVEGCSA-N 1 0 312.866 3.031 10 0 DGAERO Cc1cccc(NC(=O)CN2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186666056 432620020 /nfs/dbraw/zinc/62/00/20/432620020.db2.gz YVPWYWVRBJXDOW-HXUWFJFHSA-N 1 0 322.408 3.065 10 0 DGAERO CCN(CC)c1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000177424743 432623810 /nfs/dbraw/zinc/62/38/10/432623810.db2.gz PUASBMQVACQLMF-GOSISDBHSA-N 1 0 317.477 3.089 10 0 DGAERO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1nnc(C)n1CC ZINC000177440106 432624952 /nfs/dbraw/zinc/62/49/52/432624952.db2.gz IVQPKZJSPDTYQD-KRWDZBQOSA-N 1 0 300.450 3.450 10 0 DGAERO CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177475820 432627799 /nfs/dbraw/zinc/62/77/99/432627799.db2.gz JHBUQOLXHCNWOW-ROUUACIJSA-N 1 0 317.477 3.133 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)ccc1C ZINC000177494204 432630157 /nfs/dbraw/zinc/63/01/57/432630157.db2.gz PWGTUJBDRBFVGC-JKSUJKDBSA-N 1 0 301.434 3.394 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)ccc1F ZINC000177508145 432631514 /nfs/dbraw/zinc/63/15/14/432631514.db2.gz XVZSTAUFUPGUSV-ZIAGYGMSSA-N 1 0 305.397 3.225 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000186850309 432634020 /nfs/dbraw/zinc/63/40/20/432634020.db2.gz PYGKYTABSMHPLM-HUUCEWRRSA-N 1 0 303.512 3.396 10 0 DGAERO CCOCCN1CC[N@H+](CCCCc2ccccc2)C[C@@H]1CC ZINC000186971886 432640052 /nfs/dbraw/zinc/64/00/52/432640052.db2.gz NUXKTRMTJXUILR-FQEVSTJZSA-N 1 0 318.505 3.442 10 0 DGAERO CCOCCN1CC[N@H+](CCCCc2ccccc2)C[C@@H]1C ZINC000186971125 432640169 /nfs/dbraw/zinc/64/01/69/432640169.db2.gz OKVHCOQIQROABA-SFHVURJKSA-N 1 0 304.478 3.052 10 0 DGAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000212730192 432640922 /nfs/dbraw/zinc/64/09/22/432640922.db2.gz LJTWUIVZOWBKAH-GHMZBOCLSA-N 1 0 300.805 3.435 10 0 DGAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC000177606913 432641029 /nfs/dbraw/zinc/64/10/29/432641029.db2.gz CNLSCMLNSBZFNK-KBPBESRZSA-N 1 0 306.425 3.092 10 0 DGAERO C[C@@H](O)[C@@H]1CCCCN1Cc1csc(Br)c1 ZINC000264385750 432641966 /nfs/dbraw/zinc/64/19/66/432641966.db2.gz DVCLUCHQKOSUKF-KOLCDFICSA-N 1 0 304.253 3.246 10 0 DGAERO CCC(CC)[N@@H+](Cc1csc(CC(=O)NC)n1)CC(C)C ZINC000177661173 432646773 /nfs/dbraw/zinc/64/67/73/432646773.db2.gz ZZWGNIVMKQJBEL-UHFFFAOYSA-N 1 0 311.495 3.078 10 0 DGAERO Cc1nc2c(c(N3CCC([N@H+]4CCC[C@H]4C)CC3)n1)CCCC2 ZINC000302087298 282009338 /nfs/dbraw/zinc/00/93/38/282009338.db2.gz KVLVMJWITGMNTJ-CQSZACIVSA-N 1 0 314.477 3.117 10 0 DGAERO C[C@H](Cc1ccccc1F)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000158535263 432649530 /nfs/dbraw/zinc/64/95/30/432649530.db2.gz NSPJRWDYDLCEMN-OAHLLOKOSA-N 1 0 318.436 3.091 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC000187188563 432651638 /nfs/dbraw/zinc/65/16/38/432651638.db2.gz QGWRXCZSDTXQTG-QYZOEREBSA-N 1 0 310.445 3.425 10 0 DGAERO CCc1cnccc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187260793 432654390 /nfs/dbraw/zinc/65/43/90/432654390.db2.gz KHFNVHHXKQFKGP-KSSFIOAISA-N 1 0 311.429 3.065 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNCc1ccc(Br)c(F)c1 ZINC000217838990 432656959 /nfs/dbraw/zinc/65/69/59/432656959.db2.gz ZNGUJOUOLJJVBV-LLVKDONJSA-N 1 0 317.246 3.408 10 0 DGAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1c(C)nn(C)c1C ZINC000177747504 432657715 /nfs/dbraw/zinc/65/77/15/432657715.db2.gz ZZAUBTKJUPUKPI-LJQANCHMSA-N 1 0 313.445 3.255 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000177747222 432657837 /nfs/dbraw/zinc/65/78/37/432657837.db2.gz BYJUAVDDGMYOPC-GFCCVEGCSA-N 1 0 318.440 3.135 10 0 DGAERO C[C@@H](C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000187356470 432659628 /nfs/dbraw/zinc/65/96/28/432659628.db2.gz OKQVCEISFCSIQQ-GXFFZTMASA-N 1 0 307.743 3.443 10 0 DGAERO COC[C@@H](C)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000187424949 432663926 /nfs/dbraw/zinc/66/39/26/432663926.db2.gz WCBKZQZCRYDRMZ-KBPBESRZSA-N 1 0 308.491 3.484 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)C2(c3cccc(Cl)c3)CC2)[C@@H](C)C1 ZINC000158998671 432666586 /nfs/dbraw/zinc/66/65/86/432666586.db2.gz IGLMHYSTZHSXLV-BBRMVZONSA-N 1 0 320.864 3.217 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](CCOc1ccc(Cl)cc1)CC2 ZINC000220411100 432666776 /nfs/dbraw/zinc/66/67/76/432666776.db2.gz FKLBTUCLTLPIBK-YOEHRIQHSA-N 1 0 309.837 3.346 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccc(Br)s2)C1 ZINC000187933496 432692914 /nfs/dbraw/zinc/69/29/14/432692914.db2.gz VUOCYQZTRGEMMV-GWCFXTLKSA-N 1 0 318.280 3.494 10 0 DGAERO C[C@H]1CC[C@@](CO)(N(C)Cc2noc(C3CCCCC3)n2)C1 ZINC000187921672 432693563 /nfs/dbraw/zinc/69/35/63/432693563.db2.gz TWQLOXTVDVDLIF-SUMWQHHRSA-N 1 0 307.438 3.100 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(Br)s2)C1 ZINC000187933410 432693829 /nfs/dbraw/zinc/69/38/29/432693829.db2.gz VUOCYQZTRGEMMV-ZWNOBZJWSA-N 1 0 318.280 3.494 10 0 DGAERO C[C@H]1CC[C@](CO)(N(C)Cc2noc(C3CCCCC3)n2)C1 ZINC000187921725 432694024 /nfs/dbraw/zinc/69/40/24/432694024.db2.gz TWQLOXTVDVDLIF-GUYCJALGSA-N 1 0 307.438 3.100 10 0 DGAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000187938409 432694486 /nfs/dbraw/zinc/69/44/86/432694486.db2.gz LTGZQQKSNZJPHF-MRXNPFEDSA-N 1 0 315.841 3.004 10 0 DGAERO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000188077546 432703989 /nfs/dbraw/zinc/70/39/89/432703989.db2.gz LMTVQKXUQFSSAA-AOOOYVTPSA-N 1 0 318.314 3.009 10 0 DGAERO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCSC1 ZINC000226402806 432706106 /nfs/dbraw/zinc/70/61/06/432706106.db2.gz FNQKUXGWYUFJJP-XJKSGUPXSA-N 1 0 316.511 3.269 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)C1CCCCC1 ZINC000178196740 432706125 /nfs/dbraw/zinc/70/61/25/432706125.db2.gz CYPLVYVUVONCHA-DLBZAZTESA-N 1 0 302.466 3.394 10 0 DGAERO COc1ccc(CC[NH2+][C@@H](C)c2nccnc2C)c(Cl)c1 ZINC000188149496 432706937 /nfs/dbraw/zinc/70/69/37/432706937.db2.gz ZVYLETDZCZTEGI-NSHDSACASA-N 1 0 305.809 3.340 10 0 DGAERO COC[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)C1CCOCC1 ZINC000188151987 432708155 /nfs/dbraw/zinc/70/81/55/432708155.db2.gz XBTNWLRPPOMXQM-SJORKVTESA-N 1 0 319.445 3.320 10 0 DGAERO COc1ccc(Br)c(C[NH2+]C(C)(C)C(C)(C)O)c1 ZINC000226743261 432708281 /nfs/dbraw/zinc/70/82/81/432708281.db2.gz LPUXJMQZERZBIS-UHFFFAOYSA-N 1 0 316.239 3.097 10 0 DGAERO Cc1ccc(C[NH2+]C(C)(C)C(C)(C)O)c(Br)c1 ZINC000226743562 432708319 /nfs/dbraw/zinc/70/83/19/432708319.db2.gz GAHRTPAWGVFOQL-UHFFFAOYSA-N 1 0 300.240 3.397 10 0 DGAERO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2nccnc2C)n1 ZINC000188241523 432713075 /nfs/dbraw/zinc/71/30/75/432713075.db2.gz NAHLMZKPPGDJNJ-HNNXBMFYSA-N 1 0 307.401 3.130 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000188224129 432713084 /nfs/dbraw/zinc/71/30/84/432713084.db2.gz ZCHHWAXSFIYQDD-GYXIZQIFSA-N 1 0 309.498 3.375 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccc2c(c1)OCCO2 ZINC000178268779 432713492 /nfs/dbraw/zinc/71/34/92/432713492.db2.gz RDOZEJICUCHJPY-VXGBXAGGSA-N 1 0 302.349 3.404 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000178298695 432716325 /nfs/dbraw/zinc/71/63/25/432716325.db2.gz MIKOGFLSIMVQRI-SJORKVTESA-N 1 0 319.836 3.043 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1F ZINC000178334032 432722372 /nfs/dbraw/zinc/72/23/72/432722372.db2.gz GNKMMEWLDNJNLC-OAHLLOKOSA-N 1 0 303.381 3.004 10 0 DGAERO CCc1nc(C)c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)s1 ZINC000178352943 432723448 /nfs/dbraw/zinc/72/34/48/432723448.db2.gz AVGFGGIQGZHUGS-FSBGKCOPSA-N 1 0 302.443 3.323 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccnc4cc(Cl)ccc43)C[C@@H]21 ZINC000230133964 432724101 /nfs/dbraw/zinc/72/41/01/432724101.db2.gz LQBWOEAAAHEFCO-TUKIKUTGSA-N 1 0 301.821 3.452 10 0 DGAERO CCC1(CC)C[N@H+](Cc2cccc3[nH]ccc32)CC[S@@]1=O ZINC000187559135 432670852 /nfs/dbraw/zinc/67/08/52/432670852.db2.gz LHPHRQGLFOWUQU-NRFANRHFSA-N 1 0 304.459 3.291 10 0 DGAERO COc1c(C)cnc(CN2CCO[C@H](c3ccc(C)o3)C2)c1C ZINC000159114909 432671013 /nfs/dbraw/zinc/67/10/13/432671013.db2.gz SQPYEDRUKSTQBC-KRWDZBQOSA-N 1 0 316.401 3.182 10 0 DGAERO COc1ccc(CCN2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000159203952 432674698 /nfs/dbraw/zinc/67/46/98/432674698.db2.gz JWBRDSGXURWBCU-GOSISDBHSA-N 1 0 301.386 3.213 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000187794255 432684400 /nfs/dbraw/zinc/68/44/00/432684400.db2.gz CRMVKNSWDAUKGB-ZDUSSCGKSA-N 1 0 304.365 3.385 10 0 DGAERO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(Cl)s1 ZINC000178020584 432685436 /nfs/dbraw/zinc/68/54/36/432685436.db2.gz OWYPRJMNRYYYMZ-LLVKDONJSA-N 1 0 308.834 3.482 10 0 DGAERO COC[C@H](C)C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000187789477 432685654 /nfs/dbraw/zinc/68/56/54/432685654.db2.gz LVJMLHHNNKPLAK-CQSZACIVSA-N 1 0 305.418 3.099 10 0 DGAERO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc2ccccc2n1 ZINC000178023774 432686180 /nfs/dbraw/zinc/68/61/80/432686180.db2.gz WJHYIDLYCXBISS-OAHLLOKOSA-N 1 0 319.408 3.315 10 0 DGAERO COC[C@H]([NH2+]Cc1oc2ccc(F)cc2c1C)C1CCOCC1 ZINC000187838916 432688883 /nfs/dbraw/zinc/68/88/83/432688883.db2.gz OXLVRCAKEOTQFO-INIZCTEOSA-N 1 0 321.392 3.412 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236529767 432747654 /nfs/dbraw/zinc/74/76/54/432747654.db2.gz KQTZOBQWMDPZLX-ZWNOBZJWSA-N 1 0 318.642 3.353 10 0 DGAERO CC(C)(CCCc1ccccc1)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236589500 432749955 /nfs/dbraw/zinc/74/99/55/432749955.db2.gz SAMZZZABFSKKQR-DLBZAZTESA-N 1 0 302.462 3.279 10 0 DGAERO COc1ccccc1/C=C/C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000188969573 432755896 /nfs/dbraw/zinc/75/58/96/432755896.db2.gz IJIVIZXSSLLNAY-WSSFADSRSA-N 1 0 311.425 3.210 10 0 DGAERO COc1c(Cl)cc(Cl)cc1C[N@H+](C)CC1(CO)CC1 ZINC000188958390 432755968 /nfs/dbraw/zinc/75/59/68/432755968.db2.gz DWXBCVWPDNPVRL-UHFFFAOYSA-N 1 0 304.217 3.206 10 0 DGAERO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c1 ZINC000189028496 432759256 /nfs/dbraw/zinc/75/92/56/432759256.db2.gz RACUHOSBGLFLQA-IBGZPJMESA-N 1 0 321.424 3.078 10 0 DGAERO CCCC[C@@H](CC)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189062234 432762308 /nfs/dbraw/zinc/76/23/08/432762308.db2.gz XFHPXDGHNXLTSP-IAGOWNOFSA-N 1 0 306.425 3.485 10 0 DGAERO CCCCCOc1cc(C)ccc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236763087 432764327 /nfs/dbraw/zinc/76/43/27/432764327.db2.gz TVZIYUNMTIPVSE-RDJZCZTQSA-N 1 0 318.461 3.308 10 0 DGAERO Cc1ccn2c(C[NH2+]C[C@H]3CCO[C@@H]3C(C)(C)C)cnc2c1 ZINC000189234421 432772488 /nfs/dbraw/zinc/77/24/88/432772488.db2.gz RESVNWWVHLMOMQ-PBHICJAKSA-N 1 0 301.434 3.184 10 0 DGAERO Cc1c(C[NH2+]Cc2cc(Br)ccc2C)cnn1C ZINC000276116202 432774075 /nfs/dbraw/zinc/77/40/75/432774075.db2.gz YIIURQMXJWQRRN-UHFFFAOYSA-N 1 0 308.223 3.089 10 0 DGAERO CO[C@H]1CN(Cc2cc(Br)cs2)CC[C@@H]1C ZINC000189362932 432780343 /nfs/dbraw/zinc/78/03/43/432780343.db2.gz BKGGIPGKFJQDFH-CABZTGNLSA-N 1 0 304.253 3.367 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000231042117 432730736 /nfs/dbraw/zinc/73/07/36/432730736.db2.gz NLDMXTAJEREWIR-FZMZJTMJSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000160619423 432732482 /nfs/dbraw/zinc/73/24/82/432732482.db2.gz JIYNFEVGVDEKMZ-QMMMGPOBSA-N 1 0 306.631 3.352 10 0 DGAERO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[NH+]2CCC1CC2 ZINC000188621267 432735681 /nfs/dbraw/zinc/73/56/81/432735681.db2.gz LIERMNWRZLQAFR-UHFFFAOYSA-N 1 0 314.360 3.006 10 0 DGAERO C[NH2+]C[C@H]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000232306225 432736628 /nfs/dbraw/zinc/73/66/28/432736628.db2.gz WQLVBYBCHKYTDH-SNVBAGLBSA-N 1 0 316.232 3.457 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000178443926 432737079 /nfs/dbraw/zinc/73/70/79/432737079.db2.gz LKYKVHJJNPPSAI-RTBURBONSA-N 1 0 311.425 3.340 10 0 DGAERO C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000178457367 432740073 /nfs/dbraw/zinc/74/00/73/432740073.db2.gz QYCAUGHBRGEVFM-QAPCUYQASA-N 1 0 300.446 3.203 10 0 DGAERO Cc1cc(N2CCCN(c3cccnn3)CC2)c2ccccc2[nH+]1 ZINC000265871432 432740523 /nfs/dbraw/zinc/74/05/23/432740523.db2.gz ZNRZGUFVQFNKAN-UHFFFAOYSA-N 1 0 319.412 3.050 10 0 DGAERO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000235557823 432743989 /nfs/dbraw/zinc/74/39/89/432743989.db2.gz SFRISMVIZSTRMW-QMMMGPOBSA-N 1 0 306.631 3.352 10 0 DGAERO C[C@@H]([NH2+]CCC1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178509158 432745276 /nfs/dbraw/zinc/74/52/76/432745276.db2.gz XSFLLZGRHAYQFO-GFCCVEGCSA-N 1 0 313.438 3.460 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000189735824 432816025 /nfs/dbraw/zinc/81/60/25/432816025.db2.gz AMRLKGZXGSMJGW-NJAFHUGGSA-N 1 0 302.462 3.054 10 0 DGAERO Cc1nc([C@H]2CCC[N@@H+]2C[C@H](O)Cc2ccccc2)cs1 ZINC000189757952 432817467 /nfs/dbraw/zinc/81/74/67/432817467.db2.gz JCQSLBVVSXCPGI-NVXWUHKLSA-N 1 0 302.443 3.192 10 0 DGAERO Cc1ccc(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000162321682 432820394 /nfs/dbraw/zinc/82/03/94/432820394.db2.gz YCDUIOIAYUNKBK-FQEVSTJZSA-N 1 0 323.440 3.175 10 0 DGAERO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccc(F)cc1F ZINC000244337025 432820736 /nfs/dbraw/zinc/82/07/36/432820736.db2.gz XRHONRUEIBTLMG-UHFFFAOYSA-N 1 0 316.351 3.352 10 0 DGAERO CS[C@@H](C)CC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162314608 432820745 /nfs/dbraw/zinc/82/07/45/432820745.db2.gz UTHBTMOTWXVXLY-YJBOKZPZSA-N 1 0 320.502 3.299 10 0 DGAERO CC(C)COc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1 ZINC000162596085 432828011 /nfs/dbraw/zinc/82/80/11/432828011.db2.gz QNDZNBQXGNVKMV-UHFFFAOYSA-N 1 0 318.461 3.022 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C/C=C/c1ccc(F)cc1 ZINC000245423127 432829718 /nfs/dbraw/zinc/82/97/18/432829718.db2.gz QOHOIJJDCLLRKF-DBLORFJXSA-N 1 0 318.436 3.466 10 0 DGAERO O[C@@H](Cc1ccccc1)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000245433100 432830227 /nfs/dbraw/zinc/83/02/27/432830227.db2.gz BQYJRUMUEFXBOV-RBUKOAKNSA-N 1 0 303.446 3.014 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)ccc1OC ZINC000245435394 432830892 /nfs/dbraw/zinc/83/08/92/432830892.db2.gz SRTZBPBHPSHLAS-GJZGRUSLSA-N 1 0 317.433 3.094 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(C(C)(C)C)n1 ZINC000245441675 432831418 /nfs/dbraw/zinc/83/14/18/432831418.db2.gz VPXQMZVDCCXOSA-CABCVRRESA-N 1 0 307.507 3.499 10 0 DGAERO COc1ccc([C@@H]2CCCN2CCC[NH+]2CCCC2)cc1OC ZINC000162729782 432832331 /nfs/dbraw/zinc/83/23/31/432832331.db2.gz WUYPLNKNKKBVSF-KRWDZBQOSA-N 1 0 318.461 3.327 10 0 DGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)c2cccnc2)C1 ZINC000245459807 432833198 /nfs/dbraw/zinc/83/31/98/432833198.db2.gz LSRMYHUDOCQMLL-CVEARBPZSA-N 1 0 317.477 3.202 10 0 DGAERO CCOCC[N@@H+]1CCN([C@H](C)c2ncc(C(C)(C)C)o2)C[C@@H]1C ZINC000245470081 432835468 /nfs/dbraw/zinc/83/54/68/432835468.db2.gz MMDSOMBZGFFSBE-LSDHHAIUSA-N 1 0 323.481 3.076 10 0 DGAERO O=C(Cc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178889625 432786048 /nfs/dbraw/zinc/78/60/48/432786048.db2.gz WTAOIEQEJNTBSU-UHFFFAOYSA-N 1 0 314.473 3.344 10 0 DGAERO CNC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccc(C)cc2)o1)C(C)C ZINC000178951539 432789889 /nfs/dbraw/zinc/78/98/89/432789889.db2.gz IMSWYMINKTYNDB-KRWDZBQOSA-N 1 0 300.402 3.115 10 0 DGAERO CSc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000178992863 432793840 /nfs/dbraw/zinc/79/38/40/432793840.db2.gz FQUXICNJWMWQHH-CQSZACIVSA-N 1 0 306.475 3.259 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000237895863 432802644 /nfs/dbraw/zinc/80/26/44/432802644.db2.gz IATAMXICUATYMF-WMLDXEAASA-N 1 0 318.436 3.271 10 0 DGAERO COC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc(C)o1 ZINC000161906316 432803121 /nfs/dbraw/zinc/80/31/21/432803121.db2.gz CYKKBNUWZWGVSQ-KRWDZBQOSA-N 1 0 320.408 3.136 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000237907373 432804315 /nfs/dbraw/zinc/80/43/15/432804315.db2.gz BGRLBKXGFYDYBZ-YPMHNXCESA-N 1 0 312.866 3.066 10 0 DGAERO [NH3+]Cc1ccc(C(=O)N(CCc2cccc(F)c2)C2CC2)cc1 ZINC000237934984 432804393 /nfs/dbraw/zinc/80/43/93/432804393.db2.gz BGMRGVHUZQMOFW-UHFFFAOYSA-N 1 0 312.388 3.132 10 0 DGAERO C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000161922680 432804417 /nfs/dbraw/zinc/80/44/17/432804417.db2.gz ZSLGYGOVXPKBMM-INIZCTEOSA-N 1 0 306.425 3.153 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)C1 ZINC000237984035 432806951 /nfs/dbraw/zinc/80/69/51/432806951.db2.gz DCXDBZUFXZIVGH-IIDMSEBBSA-N 1 0 311.429 3.349 10 0 DGAERO [NH3+]Cc1ccc(C(=O)NCc2ccccc2OC2CCC2)cc1 ZINC000237973432 432807426 /nfs/dbraw/zinc/80/74/26/432807426.db2.gz FXJRACIAGWQPOK-UHFFFAOYSA-N 1 0 310.397 3.007 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245518445 432838847 /nfs/dbraw/zinc/83/88/47/432838847.db2.gz AREPWDJTFLZWPW-FMKPAKJESA-N 1 0 320.864 3.214 10 0 DGAERO COc1cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)ccc1OC(F)F ZINC000189737684 432815475 /nfs/dbraw/zinc/81/54/75/432815475.db2.gz KQRWMSXOZCGVPS-LBPRGKRZSA-N 1 0 315.360 3.344 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2csc(-c3ccccn3)n2)O1 ZINC000189736605 432815485 /nfs/dbraw/zinc/81/54/85/432815485.db2.gz RKMVIOORQQXLFV-ZDUSSCGKSA-N 1 0 303.431 3.252 10 0 DGAERO C[C@@H](c1cccc(F)c1)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189740639 432815876 /nfs/dbraw/zinc/81/58/76/432815876.db2.gz OUFBGPZORLWOBV-MAUKXSAKSA-N 1 0 306.425 3.073 10 0 DGAERO COc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000245743017 432860188 /nfs/dbraw/zinc/86/01/88/432860188.db2.gz FHPINSBBXNEEND-UKRRQHHQSA-N 1 0 313.850 3.055 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C=C/c2ccc(Cl)cc2)C[C@H]1C ZINC000245749110 432861217 /nfs/dbraw/zinc/86/12/17/432861217.db2.gz NMNWKITWJSQHAS-DWTRPJMMSA-N 1 0 322.880 3.396 10 0 DGAERO CCCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000245772193 432862265 /nfs/dbraw/zinc/86/22/65/432862265.db2.gz RZYSJCXYKZUOHL-WBVHZDCISA-N 1 0 318.461 3.153 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2c(F)cccc2F)[C@@H](C)C1 ZINC000245781376 432862908 /nfs/dbraw/zinc/86/29/08/432862908.db2.gz MFIVDYJPQUJGEK-ZENOOKHLSA-N 1 0 324.415 3.257 10 0 DGAERO CC(C)CO[C@@H]1C[C@H]([NH2+][C@H](C)c2nnc3n2CCCC3)C1(C)C ZINC000245861165 432866588 /nfs/dbraw/zinc/86/65/88/432866588.db2.gz HVOUPUWXKCSAAT-QLFBSQMISA-N 1 0 320.481 3.105 10 0 DGAERO c1cnn(-c2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245874770 432867470 /nfs/dbraw/zinc/86/74/70/432867470.db2.gz JZCAFHNZHFGDDA-QXAKKESOSA-N 1 0 323.440 3.310 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C)c2F)[C@@H](C)C1 ZINC000245900095 432868286 /nfs/dbraw/zinc/86/82/86/432868286.db2.gz NSHVUKQUVYHVFK-DZGCQCFKSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(CO)c1 ZINC000245939297 432871485 /nfs/dbraw/zinc/87/14/85/432871485.db2.gz YLZMJAQTJUOXKH-VIBAHUMZSA-N 1 0 301.430 3.177 10 0 DGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@H](c3ccccc3)C3CC3)C2)cn1 ZINC000245945063 432872882 /nfs/dbraw/zinc/87/28/82/432872882.db2.gz BISNPUNRNSQZMO-IEBWSBKVSA-N 1 0 310.445 3.130 10 0 DGAERO CCc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000245963689 432873424 /nfs/dbraw/zinc/87/34/24/432873424.db2.gz DFMCVXPYYLCBSI-RHSMWYFYSA-N 1 0 303.450 3.443 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245963474 432873485 /nfs/dbraw/zinc/87/34/85/432873485.db2.gz YBHFEHZDHIEOCS-DISONHOPSA-N 1 0 304.478 3.288 10 0 DGAERO CC[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000245994180 432874255 /nfs/dbraw/zinc/87/42/55/432874255.db2.gz DVONGKKRRGLCLL-NXHRZFHOSA-N 1 0 312.461 3.124 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000245523870 432840325 /nfs/dbraw/zinc/84/03/25/432840325.db2.gz NGSUTUOUJHKEHO-UHOSZYNNSA-N 1 0 314.473 3.259 10 0 DGAERO FC(F)COc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000245538304 432840855 /nfs/dbraw/zinc/84/08/55/432840855.db2.gz JTUKHWWENHALAC-CVEARBPZSA-N 1 0 311.372 3.474 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245563010 432844824 /nfs/dbraw/zinc/84/48/24/432844824.db2.gz VQXYKNKAHRLFCH-ZBFHGGJFSA-N 1 0 320.864 3.215 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2ccccc21 ZINC000245562450 432844900 /nfs/dbraw/zinc/84/49/00/432844900.db2.gz MABXHUZFFRGMPN-VKJFTORMSA-N 1 0 317.429 3.137 10 0 DGAERO CCc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1C ZINC000245565026 432844918 /nfs/dbraw/zinc/84/49/18/432844918.db2.gz ZKIPCYVSGODBEF-RHSMWYFYSA-N 1 0 301.434 3.258 10 0 DGAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCC[C@H]1C)CC2 ZINC000245583588 432847509 /nfs/dbraw/zinc/84/75/09/432847509.db2.gz AAMAGMJZCXEHGY-WCXIOVBPSA-N 1 0 307.482 3.222 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCOCC(C)C)cc1NC(C)=O ZINC000163301986 432849393 /nfs/dbraw/zinc/84/93/93/432849393.db2.gz BXEXMFRXMBJBIA-AWEZNQCLSA-N 1 0 322.449 3.367 10 0 DGAERO CC[C@H](C)CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245614892 432850032 /nfs/dbraw/zinc/85/00/32/432850032.db2.gz CRNHYTZGKTUAQI-UAGQMJEPSA-N 1 0 303.450 3.119 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C)c2Cl)[C@@H](C)C1 ZINC000245621650 432850841 /nfs/dbraw/zinc/85/08/41/432850841.db2.gz BCKCKFDSFDNSPY-DZGCQCFKSA-N 1 0 308.853 3.451 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000245633217 432851233 /nfs/dbraw/zinc/85/12/33/432851233.db2.gz INDDVAXAWWADFP-DLBZAZTESA-N 1 0 313.376 3.393 10 0 DGAERO CCC(CC)n1nc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245636813 432852160 /nfs/dbraw/zinc/85/21/60/432852160.db2.gz WZZKCXNGYZXZLV-XJKSGUPXSA-N 1 0 320.481 3.107 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ncc(Br)s2)C1 ZINC000245656258 432852756 /nfs/dbraw/zinc/85/27/56/432852756.db2.gz LJLSSZXYDSHESB-ZJUUUORDSA-N 1 0 318.284 3.041 10 0 DGAERO CC[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc(OC)cc1 ZINC000245652406 432852961 /nfs/dbraw/zinc/85/29/61/432852961.db2.gz HVEVJVRBVGBETK-QAPCUYQASA-N 1 0 318.461 3.179 10 0 DGAERO CN(CC1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245666538 432854286 /nfs/dbraw/zinc/85/42/86/432854286.db2.gz RDNJMPFMUGOELQ-QZTJIDSGSA-N 1 0 315.461 3.263 10 0 DGAERO CCCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245706382 432857749 /nfs/dbraw/zinc/85/77/49/432857749.db2.gz OJGPPEAUZCALLV-WBMJQRKESA-N 1 0 312.816 3.388 10 0 DGAERO CCCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245706377 432858006 /nfs/dbraw/zinc/85/80/06/432858006.db2.gz OJGPPEAUZCALLV-LRDDRELGSA-N 1 0 312.816 3.388 10 0 DGAERO CCC[C@@H]1C[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000245706232 432858367 /nfs/dbraw/zinc/85/83/67/432858367.db2.gz MMFPWGSKWMZJIC-KZNAEPCWSA-N 1 0 318.461 3.001 10 0 DGAERO CCCn1cc(CN2CCC[N@H+](C[C@@H]3CC=CCC3)CC2)cn1 ZINC000245722108 432858633 /nfs/dbraw/zinc/85/86/33/432858633.db2.gz IBJVJSISSRQQGZ-GOSISDBHSA-N 1 0 316.493 3.157 10 0 DGAERO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc(Cl)c1OC ZINC000245720183 432859374 /nfs/dbraw/zinc/85/93/74/432859374.db2.gz HTPOBDUNCXWTSS-JSGCOSHPSA-N 1 0 324.852 3.026 10 0 DGAERO CC(=O)[C@H](C)CCCCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000279458769 432972140 /nfs/dbraw/zinc/97/21/40/432972140.db2.gz FEUYQYORHBIZSH-GFCCVEGCSA-N 1 0 312.373 3.322 10 0 DGAERO c1nnc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000297433181 432995809 /nfs/dbraw/zinc/99/58/09/432995809.db2.gz ICRHUFLVAORVLO-CVEARBPZSA-N 1 0 314.458 3.029 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nc(C4CCCCC4)ns3)C[C@@H]21 ZINC000333246740 433044447 /nfs/dbraw/zinc/04/44/47/433044447.db2.gz FXBBBGDBDOYBDY-MELADBBJSA-N 1 0 306.479 3.149 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000155384319 292706050 /nfs/dbraw/zinc/70/60/50/292706050.db2.gz XQIHKJNTDFWHOA-CQSZACIVSA-N 1 0 313.445 3.246 10 0 DGAERO Cc1noc(C)c1-c1noc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000333261768 433043978 /nfs/dbraw/zinc/04/39/78/433043978.db2.gz UPKGKCIFYNCTKP-CYBMUJFWSA-N 1 0 302.378 3.421 10 0 DGAERO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC000479503120 289406099 /nfs/dbraw/zinc/40/60/99/289406099.db2.gz LZKMOVDJIHFWFY-GFCCVEGCSA-N 1 0 302.409 3.001 10 0 DGAERO CO[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000373054270 433081847 /nfs/dbraw/zinc/08/18/47/433081847.db2.gz HPBMZYXTFYRAAQ-HAGHYFMRSA-N 1 0 316.489 3.443 10 0 DGAERO O=C(C[N@@H+]1CCCC12CCC2)Nc1ccccc1OC(F)F ZINC000373105030 433091060 /nfs/dbraw/zinc/09/10/60/433091060.db2.gz UDELMEOFNPADGA-UHFFFAOYSA-N 1 0 310.344 3.245 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000373094049 433092343 /nfs/dbraw/zinc/09/23/43/433092343.db2.gz DVESXSKMIXLAEV-UHFFFAOYSA-N 1 0 308.809 3.306 10 0 DGAERO CCc1ncc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)o1 ZINC000453372514 433130446 /nfs/dbraw/zinc/13/04/46/433130446.db2.gz IQTVNMOJHQADTE-PBHICJAKSA-N 1 0 300.402 3.495 10 0 DGAERO C[C@H]1C[C@@H](c2nc(-c3cc(=O)[nH]c4ccccc43)no2)CC[N@@H+]1C ZINC000333843849 433115073 /nfs/dbraw/zinc/11/50/73/433115073.db2.gz LWDOCUKGYBLPKS-RYUDHWBXSA-N 1 0 324.384 3.188 10 0 DGAERO Cn1ccc([C@H]([NH2+]CCC[C@H]2CCOC2)c2ccc(F)cc2)n1 ZINC000453357931 433117675 /nfs/dbraw/zinc/11/76/75/433117675.db2.gz JKAUKJBIFQNDIO-KBXCAEBGSA-N 1 0 317.408 3.055 10 0 DGAERO CC(C)C1CCC([NH+]2CCN([C@@H]3CCO[C@@H](C)C3)CC2)CC1 ZINC000335385070 433172395 /nfs/dbraw/zinc/17/23/95/433172395.db2.gz BYWXAKOUNKUDTD-MKCYZYCBSA-N 1 0 308.510 3.386 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000425364458 433202876 /nfs/dbraw/zinc/20/28/76/433202876.db2.gz XHULPWQGVVDXDN-CHWSQXEVSA-N 1 0 316.264 3.312 10 0 DGAERO c1nn2ccccc2c1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374495022 433203100 /nfs/dbraw/zinc/20/31/00/433203100.db2.gz GXPBRQWHECCRKN-APWZRJJASA-N 1 0 307.397 3.202 10 0 DGAERO c1nn2ccccc2c1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000374495023 433203690 /nfs/dbraw/zinc/20/36/90/433203690.db2.gz GXPBRQWHECCRKN-LPHOPBHVSA-N 1 0 307.397 3.202 10 0 DGAERO C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CCCCC2(C)C)C[C@@H](C)O1 ZINC000447500979 433206391 /nfs/dbraw/zinc/20/63/91/433206391.db2.gz MXKNFPZTOYWRGM-ZACQAIPSSA-N 1 0 324.509 3.208 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)Nc2cccc3c2OCCC3)c1 ZINC000374557407 433222278 /nfs/dbraw/zinc/22/22/78/433222278.db2.gz FVLHXSWMCXOLPP-UHFFFAOYSA-N 1 0 310.397 3.326 10 0 DGAERO CC1(C)C[N@H+](CCSCc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000361528218 433226349 /nfs/dbraw/zinc/22/63/49/433226349.db2.gz VKIMSGAGBJUOOO-GOSISDBHSA-N 1 0 321.486 3.190 10 0 DGAERO c1nc([C@H]2CCCO2)sc1CN1CCOC[C@H]1CC1CCC1 ZINC000354730571 433241949 /nfs/dbraw/zinc/24/19/49/433241949.db2.gz NJOXYCWGWIZBHQ-GDBMZVCRSA-N 1 0 322.474 3.386 10 0 DGAERO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)O1 ZINC000453629168 433250342 /nfs/dbraw/zinc/25/03/42/433250342.db2.gz LBHALAZFSGKLSK-CZUORRHYSA-N 1 0 305.418 3.299 10 0 DGAERO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425470488 433258805 /nfs/dbraw/zinc/25/88/05/433258805.db2.gz FUSAHQMQTODDRD-LCJXNMAOSA-N 1 0 300.446 3.421 10 0 DGAERO Cn1ccc([C@H]([NH2+]C2CCSCC2)c2ccc(F)cc2)n1 ZINC000374981001 433324413 /nfs/dbraw/zinc/32/44/13/433324413.db2.gz PZZWUYKKOSGVOI-MRXNPFEDSA-N 1 0 305.422 3.134 10 0 DGAERO c1ccc2c(c1)CO[C@]21CCCN(CCC[NH+]2CCCCC2)C1 ZINC000375253173 433397745 /nfs/dbraw/zinc/39/77/45/433397745.db2.gz REMAHYAFBWNBCQ-FQEVSTJZSA-N 1 0 314.473 3.384 10 0 DGAERO c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000361890775 433440188 /nfs/dbraw/zinc/44/01/88/433440188.db2.gz VITDZBWLTWWBJH-IXDOHACOSA-N 1 0 313.445 3.221 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Cl)cc1Cl ZINC000125648782 289979630 /nfs/dbraw/zinc/97/96/30/289979630.db2.gz NHQHKECVPHMXCY-NHYWBVRUSA-N 1 0 318.244 3.433 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)n1 ZINC000361928113 433455206 /nfs/dbraw/zinc/45/52/06/433455206.db2.gz VDSKQDIEHWLOSH-HNNXBMFYSA-N 1 0 322.412 3.169 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cc(Cl)ccc1Cl ZINC000282225909 290002941 /nfs/dbraw/zinc/00/29/41/290002941.db2.gz FGNVXNMLNLESDP-MWODSPESSA-N 1 0 301.217 3.311 10 0 DGAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000191827847 290055272 /nfs/dbraw/zinc/05/52/72/290055272.db2.gz RMHYMDXPAFWQJS-DCGLDWPTSA-N 1 0 317.433 3.046 10 0 DGAERO c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000355108530 433469760 /nfs/dbraw/zinc/46/97/60/433469760.db2.gz ODCSYCLZTSMAEJ-XJKSGUPXSA-N 1 0 315.442 3.206 10 0 DGAERO C[C@H](c1cccc(Br)c1)N1CC[NH+](C2CC2)CC1 ZINC000123112725 290244865 /nfs/dbraw/zinc/24/48/65/290244865.db2.gz TVRHXZSBEDSIPA-GFCCVEGCSA-N 1 0 309.251 3.290 10 0 DGAERO c1cnc(N2CCOCC2)c(C[NH2+]C2CC3(C2)CCCCC3)c1 ZINC000421321593 433479408 /nfs/dbraw/zinc/47/94/08/433479408.db2.gz BXMFHFPSOZYGRO-UHFFFAOYSA-N 1 0 315.461 3.121 10 0 DGAERO Brc1ccccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000355137997 433483722 /nfs/dbraw/zinc/48/37/22/433483722.db2.gz RQFLHFSLTQYXOC-DZGCQCFKSA-N 1 0 310.235 3.450 10 0 DGAERO c1ccc(OCc2ccncc2)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421398071 433541033 /nfs/dbraw/zinc/54/10/33/433541033.db2.gz NMAQUZNNMZKSMK-IBGZPJMESA-N 1 0 310.397 3.025 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000355190703 433520290 /nfs/dbraw/zinc/52/02/90/433520290.db2.gz AVLQWSYPMDTWGV-SJORKVTESA-N 1 0 311.429 3.325 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc2c(c1)COC2 ZINC000362127692 433537205 /nfs/dbraw/zinc/53/72/05/433537205.db2.gz BOJURLPJVGJYPK-KUHUBIRLSA-N 1 0 322.408 3.173 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000292169440 433489690 /nfs/dbraw/zinc/48/96/90/433489690.db2.gz PMMYBJXJBWJNFK-HXUWFJFHSA-N 1 0 314.473 3.342 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C)c(C)cc2Cl)C1 ZINC000455731448 433553250 /nfs/dbraw/zinc/55/32/50/433553250.db2.gz JSAIRRGKHOAUSJ-ZDUSSCGKSA-N 1 0 309.841 3.420 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)c(C)cc2Cl)C1 ZINC000455731447 433553756 /nfs/dbraw/zinc/55/37/56/433553756.db2.gz JSAIRRGKHOAUSJ-CYBMUJFWSA-N 1 0 309.841 3.420 10 0 DGAERO C[C@H]1CCC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000190957255 290506086 /nfs/dbraw/zinc/50/60/86/290506086.db2.gz IEBJMOQGVIMHSP-HOTGVXAUSA-N 1 0 307.482 3.225 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]Cc1ccc(OC3CCCC3)nc1)CCC2 ZINC000375794304 433567961 /nfs/dbraw/zinc/56/79/61/433567961.db2.gz VHLPEBUOICGCDV-MRXNPFEDSA-N 1 0 312.417 3.293 10 0 DGAERO CCOC(=O)c1oc2ccccc2c1CN1CCOCC[C@@H]1C ZINC000362232192 433592283 /nfs/dbraw/zinc/59/22/83/433592283.db2.gz BASINIXGZIUFKM-ZDUSSCGKSA-N 1 0 317.385 3.220 10 0 DGAERO CCC[C@H](C(=O)NCC1(c2ccc(F)cc2)CCC1)[NH+](C)C ZINC000161885504 292843166 /nfs/dbraw/zinc/84/31/66/292843166.db2.gz OYKYFMCDRXHMCS-MRXNPFEDSA-N 1 0 306.425 3.094 10 0 DGAERO CCC[C@@H](C(=O)N(C)Cc1cc(C)c(OC)c(C)c1)[NH+](C)C ZINC000161915010 292843283 /nfs/dbraw/zinc/84/32/83/292843283.db2.gz OOVSKKIOODJFQT-INIZCTEOSA-N 1 0 306.450 3.001 10 0 DGAERO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(Cl)cc1F ZINC000163254612 292865513 /nfs/dbraw/zinc/86/55/13/292865513.db2.gz BNKHXRXSXMYANX-LBPRGKRZSA-N 1 0 312.816 3.392 10 0 DGAERO Fc1ccc2oc(CN3CC[NH+](C4CCCCC4)CC3)nc2c1 ZINC000163247552 292865729 /nfs/dbraw/zinc/86/57/29/292865729.db2.gz VQHAMZXFMRDMKD-UHFFFAOYSA-N 1 0 317.408 3.417 10 0 DGAERO CC1CC[NH+](CCCCNC(=O)NCCC2=CCCC2)CC1 ZINC000164167476 292874614 /nfs/dbraw/zinc/87/46/14/292874614.db2.gz KDUADIRLFYIMLK-UHFFFAOYSA-N 1 0 307.482 3.298 10 0 DGAERO C([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1noc2c1CCCC2 ZINC000342316178 433612862 /nfs/dbraw/zinc/61/28/62/433612862.db2.gz PVLKSOIFMPMYHZ-RBSFLKMASA-N 1 0 304.434 3.238 10 0 DGAERO Cc1nocc1CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000293212962 433660058 /nfs/dbraw/zinc/66/00/58/433660058.db2.gz JMPMGFZWKWSAHS-SFHVURJKSA-N 1 0 313.445 3.373 10 0 DGAERO CCCc1nnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000301666605 433665334 /nfs/dbraw/zinc/66/53/34/433665334.db2.gz MIRVSKZPOYJCQG-LBPRGKRZSA-N 1 0 306.435 3.333 10 0 DGAERO Cc1cccc2c(NC[C@@H](CO)Cc3ccccn3)cc[nH+]c12 ZINC000301672190 433669767 /nfs/dbraw/zinc/66/97/67/433669767.db2.gz OJHOOOLUHNDAQW-HNNXBMFYSA-N 1 0 307.397 3.201 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000342414722 433672938 /nfs/dbraw/zinc/67/29/38/433672938.db2.gz COBFYBWOZITANU-AWEZNQCLSA-N 1 0 323.421 3.471 10 0 DGAERO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000376132279 433675750 /nfs/dbraw/zinc/67/57/50/433675750.db2.gz LUVLSCNKOQTTDU-CVEARBPZSA-N 1 0 321.428 3.249 10 0 DGAERO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)[C@H](C)O1 ZINC000414517598 433684443 /nfs/dbraw/zinc/68/44/43/433684443.db2.gz QUMNQKLRAYSCAN-JFGNBEQYSA-N 1 0 316.214 3.491 10 0 DGAERO c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC(Oc2cnccn2)CC1 ZINC000376033353 433649753 /nfs/dbraw/zinc/64/97/53/433649753.db2.gz SVMVGYPMSLUIHB-SFHVURJKSA-N 1 0 309.413 3.397 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@H]3CCc4ccccc4OC3)o2)n[nH]1 ZINC000367163251 293032278 /nfs/dbraw/zinc/03/22/78/293032278.db2.gz BAEYINCGOKRHOS-AWEZNQCLSA-N 1 0 309.369 3.153 10 0 DGAERO CCC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)C1CCCCC1 ZINC000367413907 293068871 /nfs/dbraw/zinc/06/88/71/293068871.db2.gz XLFPSQLLMAQDTJ-ROUUACIJSA-N 1 0 322.493 3.105 10 0 DGAERO Clc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1Cl ZINC000367423649 293070384 /nfs/dbraw/zinc/07/03/84/293070384.db2.gz WACDAACCWKUOJZ-IUODEOHRSA-N 1 0 316.228 3.421 10 0 DGAERO COC1CCC([NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)CC1 ZINC000368252637 293110787 /nfs/dbraw/zinc/11/07/87/293110787.db2.gz JIAIDZCPBVTXRV-HTWSVDAQSA-N 1 0 317.408 3.196 10 0 DGAERO c1oc(-c2ccccc2)nc1CNC1CC([NH+]2CCCCC2)C1 ZINC000370129161 293157439 /nfs/dbraw/zinc/15/74/39/293157439.db2.gz CFHKAJOFEWDGDN-UHFFFAOYSA-N 1 0 311.429 3.448 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000376285986 433707442 /nfs/dbraw/zinc/70/74/42/433707442.db2.gz QCYMSZYQFJDODU-FUMNGEBKSA-N 1 0 314.473 3.029 10 0 DGAERO c1onc(Cc2ccccc2)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000351757509 433708749 /nfs/dbraw/zinc/70/87/49/433708749.db2.gz NSGGDZVDQFHNFE-QFBILLFUSA-N 1 0 312.413 3.266 10 0 DGAERO c1c[nH]c([C@@H](NC2CC([NH+]3CCCCC3)C2)c2ccccc2)n1 ZINC000373521812 293285443 /nfs/dbraw/zinc/28/54/43/293285443.db2.gz LOJQMNIDFASYBP-ABHNRTSZSA-N 1 0 310.445 3.106 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)[C@H]2CCCO[C@H]21 ZINC000374157968 293359589 /nfs/dbraw/zinc/35/95/89/293359589.db2.gz IYEAJFIPVNPKBT-DJIMGWMZSA-N 1 0 312.413 3.234 10 0 DGAERO c1c2ccccc2sc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000374267013 293374567 /nfs/dbraw/zinc/37/45/67/293374567.db2.gz CDFXXPCBCNCFJO-PBHICJAKSA-N 1 0 303.427 3.329 10 0 DGAERO c1c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)nc2ccccn12 ZINC000374472677 293405088 /nfs/dbraw/zinc/40/50/88/293405088.db2.gz QXJYFFSWRLLNIE-VQIMIIECSA-N 1 0 307.397 3.202 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cn1)N(C)C(=O)OC(C)(C)C ZINC000283406725 433720502 /nfs/dbraw/zinc/72/05/02/433720502.db2.gz QRSFCCCPSNQYEW-RYUDHWBXSA-N 1 0 311.401 3.127 10 0 DGAERO c1cc(-c2nc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)cs2)co1 ZINC000362454364 433727252 /nfs/dbraw/zinc/72/72/52/433727252.db2.gz PYUPZOCLQJPDHE-DOMZBBRYSA-N 1 0 304.415 3.404 10 0 DGAERO Brc1cccnc1NC1CC([NH+]2CCCCC2)C1 ZINC000376392290 433728487 /nfs/dbraw/zinc/72/84/87/433728487.db2.gz SAFMITLBFVIBES-UHFFFAOYSA-N 1 0 310.239 3.273 10 0 DGAERO c1cc(-c2nc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)cs2)co1 ZINC000362454367 433729164 /nfs/dbraw/zinc/72/91/64/433729164.db2.gz PYUPZOCLQJPDHE-IUODEOHRSA-N 1 0 304.415 3.404 10 0 DGAERO CCc1nc2sccc2c(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000301857695 433763029 /nfs/dbraw/zinc/76/30/29/433763029.db2.gz ZUPSYYWACPQRSE-YPMHNXCESA-N 1 0 304.463 3.394 10 0 DGAERO C[NH+]1CCC(CC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC000362583247 433770500 /nfs/dbraw/zinc/77/05/00/433770500.db2.gz HUNMKUWOFHAIPC-SFHVURJKSA-N 1 0 318.436 3.091 10 0 DGAERO c1cnn(-c2ccc(C[N@H+]3CCOC[C@@H]3CC3CCC3)cc2)c1 ZINC000339768921 433772950 /nfs/dbraw/zinc/77/29/50/433772950.db2.gz VTOSEDLNTUEAKA-IBGZPJMESA-N 1 0 311.429 3.263 10 0 DGAERO c1ccc(COc2ccnc(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)n2)cc1 ZINC000301891257 433778416 /nfs/dbraw/zinc/77/84/16/433778416.db2.gz UTVSDSMQOVLEOQ-IRXDYDNUSA-N 1 0 324.428 3.094 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(F)ccc1SC ZINC000362654168 433807349 /nfs/dbraw/zinc/80/73/49/433807349.db2.gz SOMFCVQBACHOAO-CQSZACIVSA-N 1 0 310.438 3.038 10 0 DGAERO C[NH+]1CCC(CC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000362831765 433874828 /nfs/dbraw/zinc/87/48/28/433874828.db2.gz SVSHHBSRFVWJPX-UHFFFAOYSA-N 1 0 314.351 3.462 10 0 DGAERO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC12CCC2 ZINC000435583850 433876013 /nfs/dbraw/zinc/87/60/13/433876013.db2.gz IMUUYWDYQBIUBW-HNNXBMFYSA-N 1 0 317.433 3.145 10 0 DGAERO FC(F)(F)c1cnc(N2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000302765516 433855253 /nfs/dbraw/zinc/85/52/53/433855253.db2.gz LKJNWZDEOPPLBH-SNVBAGLBSA-N 1 0 305.369 3.227 10 0 DGAERO CC[N@H+](C)[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000302770267 433858761 /nfs/dbraw/zinc/85/87/61/433858761.db2.gz MQYDNBRBOCNIHA-JTQLQIEISA-N 1 0 307.747 3.284 10 0 DGAERO CC[NH+](CC)CCCCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000357194475 433903808 /nfs/dbraw/zinc/90/38/08/433903808.db2.gz ZVRRBQBDPDEWRV-GOEBONIOSA-N 1 0 324.415 3.307 10 0 DGAERO CC1(C)CN(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCO1 ZINC000436243655 433915791 /nfs/dbraw/zinc/91/57/91/433915791.db2.gz XWVBLKLBEBKPFQ-ROUUACIJSA-N 1 0 302.462 3.023 10 0 DGAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccsn2)[C@H]1c1cccs1 ZINC000449936532 433879194 /nfs/dbraw/zinc/87/91/94/433879194.db2.gz WLGQTMOATLMRLS-FZMZJTMJSA-N 1 0 321.471 3.018 10 0 DGAERO c1cc(-c2ccc(CNC3CC[NH+](C4CCCC4)CC3)o2)n[nH]1 ZINC000378014978 293735779 /nfs/dbraw/zinc/73/57/79/293735779.db2.gz RHHPGDMIFMSWLL-UHFFFAOYSA-N 1 0 314.433 3.166 10 0 DGAERO c1ccc(OCCCC[NH2+]C[C@@H]2NCCc3ccccc32)cc1 ZINC000414964887 433946037 /nfs/dbraw/zinc/94/60/37/433946037.db2.gz YVQCEMKCUMQCEI-FQEVSTJZSA-N 1 0 310.441 3.322 10 0 DGAERO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c(Br)c1 ZINC000285457304 433959254 /nfs/dbraw/zinc/95/92/54/433959254.db2.gz MVGUXWWZRMSMLS-YGRLFVJLSA-N 1 0 314.223 3.115 10 0 DGAERO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](C)O ZINC000303983261 433975555 /nfs/dbraw/zinc/97/55/55/433975555.db2.gz GYVPRKGPGVQQHJ-SNVBAGLBSA-N 1 0 319.232 3.023 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000457103432 433987887 /nfs/dbraw/zinc/98/78/87/433987887.db2.gz AUKCJXPVHUMLQT-OFQRWUPVSA-N 1 0 322.399 3.009 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000457103425 433989477 /nfs/dbraw/zinc/98/94/77/433989477.db2.gz AUKCJXPVHUMLQT-DZKIICNBSA-N 1 0 322.399 3.009 10 0 DGAERO C[C@H]1C[C@H](NC(=O)c2cc(Cl)sc2Cl)CC[N@@H+]1C ZINC000357425787 434013153 /nfs/dbraw/zinc/01/31/53/434013153.db2.gz YHRQSXGCMJPCRY-JGVFFNPUSA-N 1 0 307.246 3.267 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000304545001 434013028 /nfs/dbraw/zinc/01/30/28/434013028.db2.gz DUQFFSCIUFTPFA-VHSXEESVSA-N 1 0 304.253 3.151 10 0 DGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000304531666 434013283 /nfs/dbraw/zinc/01/32/83/434013283.db2.gz BUUJEMXJRLJUDJ-GXSJLCMTSA-N 1 0 304.253 3.151 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000304562361 434015278 /nfs/dbraw/zinc/01/52/78/434015278.db2.gz GYVJHXSMMDLXFL-ONGXEEELSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@H]1CCC[C@@H](CC[NH2+]Cc2c(Br)cnn2C)C1 ZINC000394074123 293832920 /nfs/dbraw/zinc/83/29/20/293832920.db2.gz XEBYCFXLWVTIHF-RYUDHWBXSA-N 1 0 314.271 3.489 10 0 DGAERO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)nn1 ZINC000396550141 293841441 /nfs/dbraw/zinc/84/14/41/293841441.db2.gz OHMFUXJGFGJCSL-LBPRGKRZSA-N 1 0 320.234 3.268 10 0 DGAERO [NH3+][C@H](C(=O)NCc1ccccc1OCc1ccccc1)C1CCC1 ZINC000399238851 293861051 /nfs/dbraw/zinc/86/10/51/293861051.db2.gz SPEWTOJKORLKRX-IBGZPJMESA-N 1 0 324.424 3.009 10 0 DGAERO c1nc(CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cs1 ZINC000340284148 434037790 /nfs/dbraw/zinc/03/77/90/434037790.db2.gz KZKOUWLKWVHXHY-AWEZNQCLSA-N 1 0 302.399 3.251 10 0 DGAERO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000400329035 293863422 /nfs/dbraw/zinc/86/34/22/293863422.db2.gz BIGJIUOVHHOWRT-ZBFHGGJFSA-N 1 0 319.449 3.125 10 0 DGAERO O=C(N[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450155211 434001724 /nfs/dbraw/zinc/00/17/24/434001724.db2.gz GYQOQQKSUKJVED-HIFRSBDPSA-N 1 0 314.420 3.478 10 0 DGAERO OC[C@@H]1CCCC[N@H+](Cc2csc(Br)c2)C1 ZINC000363480059 434064509 /nfs/dbraw/zinc/06/45/09/434064509.db2.gz LOABIXBBKONANJ-SNVBAGLBSA-N 1 0 304.253 3.105 10 0 DGAERO OC[C@H]1CCCC[N@H+](Cc2csc(Br)c2)C1 ZINC000363480052 434066059 /nfs/dbraw/zinc/06/60/59/434066059.db2.gz LOABIXBBKONANJ-JTQLQIEISA-N 1 0 304.253 3.105 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1I ZINC000306372985 434083120 /nfs/dbraw/zinc/08/31/20/434083120.db2.gz OYENEBZLCLUHOA-VDDIYKPWSA-N 1 0 301.171 3.350 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(I)c1 ZINC000306346850 434083532 /nfs/dbraw/zinc/08/35/32/434083532.db2.gz CKCLIKMZRGQZJB-SKDRFNHKSA-N 1 0 301.171 3.179 10 0 DGAERO CC(C)(C)OCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000308726674 434091568 /nfs/dbraw/zinc/09/15/68/434091568.db2.gz GVODHVWAKANZOV-AWEZNQCLSA-N 1 0 314.470 3.038 10 0 DGAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C3CC3)cc1)CC2 ZINC000459336289 293964161 /nfs/dbraw/zinc/96/41/61/293964161.db2.gz ALXFDWLYKWJSKR-RTBURBONSA-N 1 0 315.457 3.316 10 0 DGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000310050531 434108471 /nfs/dbraw/zinc/10/84/71/434108471.db2.gz VGLGGMWMTQKRCP-OLZOCXBDSA-N 1 0 318.642 3.496 10 0 DGAERO OC1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CCCC1 ZINC000310428283 434111343 /nfs/dbraw/zinc/11/13/43/434111343.db2.gz MKYDBAFSMFTVHZ-SNVBAGLBSA-N 1 0 316.264 3.393 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2COCC2(C)C)CCN1Cc1ccccc1 ZINC000313130040 434122887 /nfs/dbraw/zinc/12/28/87/434122887.db2.gz YAZIGRIPSSCVBH-NJAFHUGGSA-N 1 0 302.462 3.054 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000313025624 434118338 /nfs/dbraw/zinc/11/83/38/434118338.db2.gz HQNAEYKDXHIIOX-LLVKDONJSA-N 1 0 302.187 3.103 10 0 DGAERO CC[N@@H+]1C[C@H](C)N(C(=O)CC/C=C/c2ccccc2)C[C@H]1C ZINC000498566476 294063794 /nfs/dbraw/zinc/06/37/94/294063794.db2.gz GGBKHZMYJSTBAW-HARXRPJJSA-N 1 0 300.446 3.421 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000499866151 294097812 /nfs/dbraw/zinc/09/78/12/294097812.db2.gz XOZGLMJBFAPOMD-AZUAARDMSA-N 1 0 314.473 3.441 10 0 DGAERO CO[C@H](C)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000188130734 294280608 /nfs/dbraw/zinc/28/06/08/294280608.db2.gz BWZWSVLFKCJWEI-ZWNOBZJWSA-N 1 0 314.223 3.287 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)c2cccc(CC(C)C)c2)C1 ZINC000507730450 294308775 /nfs/dbraw/zinc/30/87/75/294308775.db2.gz DUJSOBCZESCQKA-FUHWJXTLSA-N 1 0 316.489 3.447 10 0 DGAERO C([NH2+][C@H]1CC[C@@H]1C1CCC1)C1(N2CCOCC2)CCCCC1 ZINC000510669262 294389397 /nfs/dbraw/zinc/38/93/97/294389397.db2.gz UQCBDUCCZFIRFU-MSOLQXFVSA-N 1 0 306.494 3.190 10 0 DGAERO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H](CO)CC2CCCC2)C1 ZINC000511030763 294399887 /nfs/dbraw/zinc/39/98/87/294399887.db2.gz PMSQXGPDRFNJED-AHRSYUTCSA-N 1 0 316.489 3.353 10 0 DGAERO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H](CO)CC2CCCC2)C1 ZINC000511031252 294399897 /nfs/dbraw/zinc/39/98/97/294399897.db2.gz PMSQXGPDRFNJED-UXPWSPDFSA-N 1 0 316.489 3.353 10 0 DGAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](CO)CC2CCCC2)c1 ZINC000511038324 294399937 /nfs/dbraw/zinc/39/99/37/294399937.db2.gz PPOUCEHDACFYNI-HIFRSBDPSA-N 1 0 307.434 3.296 10 0 DGAERO O[C@H](CCc1ccccc1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000363778545 434138549 /nfs/dbraw/zinc/13/85/49/434138549.db2.gz NIYVUQHGYYGKHA-HXUWFJFHSA-N 1 0 317.473 3.119 10 0 DGAERO O=C(Nc1cccc2c1CCO2)c1cccc(C[NH+]2CCCC2)c1 ZINC000357706084 434141470 /nfs/dbraw/zinc/14/14/70/434141470.db2.gz JUQRUPAFENSIMH-UHFFFAOYSA-N 1 0 322.408 3.470 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CC[C@H](Nc4ccccc4)C3)o2)n[nH]1 ZINC000378331493 434143404 /nfs/dbraw/zinc/14/34/04/434143404.db2.gz IXSZKNVOIMNORW-HNNXBMFYSA-N 1 0 308.385 3.356 10 0 DGAERO C[C@H](CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000363792697 434151428 /nfs/dbraw/zinc/15/14/28/434151428.db2.gz XHFRJYIZVUMXSK-NJAFHUGGSA-N 1 0 300.446 3.265 10 0 DGAERO c1coc(-c2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013953 434152541 /nfs/dbraw/zinc/15/25/41/434152541.db2.gz GCOUNPUQZPKSLR-UKRRQHHQSA-N 1 0 317.458 3.367 10 0 DGAERO c1cn(C2CCCC2)nc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422991916 434154682 /nfs/dbraw/zinc/15/46/82/434154682.db2.gz QLGDHXQXJGSGCY-RCCFBDPRSA-N 1 0 302.466 3.009 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](O)COCC1CC1 ZINC000513025143 294458721 /nfs/dbraw/zinc/45/87/21/294458721.db2.gz APDWZGQQSLSMJM-YJJOXIQCSA-N 1 0 309.837 3.120 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000513487638 294474774 /nfs/dbraw/zinc/47/47/74/294474774.db2.gz IBYXDEXFVIWERF-ZRDIBKRKSA-N 1 0 306.837 3.377 10 0 DGAERO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000286385804 434255708 /nfs/dbraw/zinc/25/57/08/434255708.db2.gz ZIKUAIIZBUQWIB-QLFBSQMISA-N 1 0 301.402 3.262 10 0 DGAERO CC1CC[NH+](CC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000437400753 434257376 /nfs/dbraw/zinc/25/73/76/434257376.db2.gz PEXCVCRXPZOTPZ-JCNLHEQBSA-N 1 0 320.864 3.434 10 0 DGAERO C[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCO1 ZINC000457537265 434225126 /nfs/dbraw/zinc/22/51/26/434225126.db2.gz WEIONQZHZUJTSK-PKOBYXMFSA-N 1 0 322.493 3.060 10 0 DGAERO CC1(C)C[N@H+](C[C@H]2CCC[C@H](O)C2)CCN1Cc1ccccc1 ZINC000382640750 434279596 /nfs/dbraw/zinc/27/95/96/434279596.db2.gz DDLAEURDTOXDHD-OALUTQOASA-N 1 0 316.489 3.134 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000383813196 434285671 /nfs/dbraw/zinc/28/56/71/434285671.db2.gz QAIMCAFWDYPKHZ-FXPVBKGRSA-N 1 0 316.264 3.391 10 0 DGAERO c1nnc([C@@H]2CCC[N@@H+](CC34CCC(CC3)C4)C2)n1C1CC1 ZINC000450600619 434289664 /nfs/dbraw/zinc/28/96/64/434289664.db2.gz WFNLCZAGESIJLF-SWKXRBFHSA-N 1 0 300.450 3.373 10 0 DGAERO CC(C)c1nnc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000450598204 434290213 /nfs/dbraw/zinc/29/02/13/434290213.db2.gz JCKFXEPAHIFSCX-DZGCQCFKSA-N 1 0 320.506 3.110 10 0 DGAERO Nc1ccc(N[C@@H]2CCC[N@H+](Cc3cccs3)CC2)cn1 ZINC000328655247 434297082 /nfs/dbraw/zinc/29/70/82/434297082.db2.gz YFOBKPYWIWZTNO-CYBMUJFWSA-N 1 0 302.447 3.192 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1N ZINC000386265022 434309861 /nfs/dbraw/zinc/30/98/61/434309861.db2.gz LDSHTASAGMVSML-RNCFNFMXSA-N 1 0 303.233 3.168 10 0 DGAERO COC[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000450676742 434331382 /nfs/dbraw/zinc/33/13/82/434331382.db2.gz FPBQUSNRMPRRTP-ZOCIIQOWSA-N 1 0 317.404 3.267 10 0 DGAERO CCC[C@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccccc1 ZINC000358182191 434368225 /nfs/dbraw/zinc/36/82/25/434368225.db2.gz CSNLEFOYSJWYBC-SFHVURJKSA-N 1 0 315.461 3.479 10 0 DGAERO Cc1cc([C@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)c(C)s1 ZINC000358182252 434368362 /nfs/dbraw/zinc/36/83/62/434368362.db2.gz CVTGGQAZJNKLCL-AWEZNQCLSA-N 1 0 321.490 3.377 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000450728669 434371652 /nfs/dbraw/zinc/37/16/52/434371652.db2.gz PKJQCWQSEWRSEO-FIXISWKDSA-N 1 0 317.351 3.127 10 0 DGAERO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000437982908 434378949 /nfs/dbraw/zinc/37/89/49/434378949.db2.gz DATYLBSDHHJRGR-GPMSIDNRSA-N 1 0 319.445 3.005 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000358199121 434382663 /nfs/dbraw/zinc/38/26/63/434382663.db2.gz QTGNMBZOVQXHLZ-SFHVURJKSA-N 1 0 313.445 3.015 10 0 DGAERO c1cn2ccnc(S[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2n1 ZINC000287517584 434384159 /nfs/dbraw/zinc/38/41/59/434384159.db2.gz LVZYJQAAPGBRMT-OAHLLOKOSA-N 1 0 310.426 3.096 10 0 DGAERO Brc1sccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000388816067 434337491 /nfs/dbraw/zinc/33/74/91/434337491.db2.gz GSSOLKLMICRCJM-JTQLQIEISA-N 1 0 315.280 3.085 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccsc1Br ZINC000388767947 434337848 /nfs/dbraw/zinc/33/78/48/434337848.db2.gz ZGMVXGCGERBGMQ-MNOVXSKESA-N 1 0 304.253 3.103 10 0 DGAERO CCCn1c2ccccc2nc1C[NH2+]CCN1CC=C(C)CC1 ZINC000358128957 434339839 /nfs/dbraw/zinc/33/98/39/434339839.db2.gz DFDKEUUWVKIYQH-UHFFFAOYSA-N 1 0 312.461 3.188 10 0 DGAERO CC1(C)CN(Cc2ccsc2Br)CC[C@H]1O ZINC000388895264 434340083 /nfs/dbraw/zinc/34/00/83/434340083.db2.gz QQNATMGUGSOBDD-SNVBAGLBSA-N 1 0 304.253 3.103 10 0 DGAERO CCCOc1ccc(C[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000358133719 434342685 /nfs/dbraw/zinc/34/26/85/434342685.db2.gz ITOIPTRODNMCHP-UHFFFAOYSA-N 1 0 318.461 3.226 10 0 DGAERO CC1(C)[C@H](O)CC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000389209929 434343903 /nfs/dbraw/zinc/34/39/03/434343903.db2.gz TZTHBUKCTUCXKP-CYBMUJFWSA-N 1 0 304.217 3.217 10 0 DGAERO CCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000389223111 434345972 /nfs/dbraw/zinc/34/59/72/434345972.db2.gz GDVAUWRHBVNNAY-PWSUYJOCSA-N 1 0 315.230 3.333 10 0 DGAERO CCCOc1cc(C[NH2+]CCN2CC=C(C)CC2)ccc1OC ZINC000358137561 434346426 /nfs/dbraw/zinc/34/64/26/434346426.db2.gz MBEZUZCLWPUBEA-UHFFFAOYSA-N 1 0 318.461 3.226 10 0 DGAERO CC(C)n1cncc1C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389787260 434351596 /nfs/dbraw/zinc/35/15/96/434351596.db2.gz MUIFYCVNXQMABE-APWZRJJASA-N 1 0 312.461 3.074 10 0 DGAERO C(=C/[C@@H]1CCCCC[N@H+]1C[C@H]1COCCO1)\c1cccs1 ZINC000450718359 434361008 /nfs/dbraw/zinc/36/10/08/434361008.db2.gz TVZHPQXQWAKJAQ-HABDOHHLSA-N 1 0 307.459 3.421 10 0 DGAERO C[C@@]1(C[NH2+]C[C@H]2CCCOC2)CCCN1Cc1ccccc1 ZINC000398016086 434449002 /nfs/dbraw/zinc/44/90/02/434449002.db2.gz QINFTNYRDVVOKH-MOPGFXCFSA-N 1 0 302.462 3.057 10 0 DGAERO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(Cl)c(F)c1 ZINC000393705567 434397987 /nfs/dbraw/zinc/39/79/87/434397987.db2.gz QDAYJIYWPBEWKI-GIGQVBGESA-N 1 0 303.830 3.431 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000394905936 434406556 /nfs/dbraw/zinc/40/65/56/434406556.db2.gz JMLYRPGIUUVBGT-AAEUAGOBSA-N 1 0 316.214 3.229 10 0 DGAERO CO[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000394818253 434407956 /nfs/dbraw/zinc/40/79/56/434407956.db2.gz WKICJMYSDZZIKT-CHWSQXEVSA-N 1 0 302.187 3.245 10 0 DGAERO CC(C)(C)[C@H](CO)[NH2+]Cc1c(F)cccc1Br ZINC000394926861 434410687 /nfs/dbraw/zinc/41/06/87/434410687.db2.gz GGHOWXFTGAXETB-LBPRGKRZSA-N 1 0 304.203 3.085 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000395252671 434413556 /nfs/dbraw/zinc/41/35/56/434413556.db2.gz XBOJNPWHHKJNEV-MNOVXSKESA-N 1 0 311.223 3.084 10 0 DGAERO Cc1nccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000366446873 434420579 /nfs/dbraw/zinc/42/05/79/434420579.db2.gz BKHROXIFMOVMTD-OXJNMPFZSA-N 1 0 324.472 3.270 10 0 DGAERO c1ccc(OCCCC[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000438194975 434431719 /nfs/dbraw/zinc/43/17/19/434431719.db2.gz YFBUUNBOSZXJOF-FUHWJXTLSA-N 1 0 321.486 3.490 10 0 DGAERO C[C@@H]1C[C@H](CO)C[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000398743777 434464718 /nfs/dbraw/zinc/46/47/18/434464718.db2.gz NEHKYBVPISBOKW-NEPJUHHUSA-N 1 0 318.244 3.323 10 0 DGAERO C[NH+](C)C1(CNCc2ncc(-c3ccccc3)s2)CCC1 ZINC000438344006 434465042 /nfs/dbraw/zinc/46/50/42/434465042.db2.gz DWEPMKICIAISIZ-UHFFFAOYSA-N 1 0 301.459 3.384 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@H]1CN1CCCC[C@H]1c1ccnn1C ZINC000450900227 434467684 /nfs/dbraw/zinc/46/76/84/434467684.db2.gz GCKJBTSYPQATEL-WMZOPIPTSA-N 1 0 304.482 3.210 10 0 DGAERO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000398997698 434471188 /nfs/dbraw/zinc/47/11/88/434471188.db2.gz ADNOQYOKOTXFNK-OQPBUACISA-N 1 0 301.217 3.298 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000366674252 434481749 /nfs/dbraw/zinc/48/17/49/434481749.db2.gz ZQEHOOYEJRNVOI-XHSDSOJGSA-N 1 0 316.445 3.137 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400516276 434485772 /nfs/dbraw/zinc/48/57/72/434485772.db2.gz BZTRSZSFRFCWIX-YZGWKJHDSA-N 1 0 316.489 3.303 10 0 DGAERO c1ccc(CN2CCCC[C@H]2C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000400642155 434492074 /nfs/dbraw/zinc/49/20/74/434492074.db2.gz PVIJTUIDXBTHIC-MOPGFXCFSA-N 1 0 302.462 3.057 10 0 DGAERO C[C@@H](O)CCC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000450933851 434492467 /nfs/dbraw/zinc/49/24/67/434492467.db2.gz CRMBALJKJOXEMX-QMTHXVAHSA-N 1 0 313.239 3.046 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@H](C(C)C)C2)cc1 ZINC000438507399 434499117 /nfs/dbraw/zinc/49/91/17/434499117.db2.gz TZVQTBDVUPBVKR-INIZCTEOSA-N 1 0 302.418 3.196 10 0 DGAERO c1ccc(CC[C@@H]2C[N@H+](CC[C@H]3CCCCO3)CCO2)cc1 ZINC000348803586 434500895 /nfs/dbraw/zinc/50/08/95/434500895.db2.gz BWPFENRRCKICKS-RTBURBONSA-N 1 0 303.446 3.279 10 0 DGAERO c1ccc(OC2CC2)c(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000295948151 434449690 /nfs/dbraw/zinc/44/96/90/434449690.db2.gz IJYIKRAAMZSSKA-IBGZPJMESA-N 1 0 324.424 3.414 10 0 DGAERO Cc1nn(C)c(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1Br ZINC000403667454 434504697 /nfs/dbraw/zinc/50/46/97/434504697.db2.gz UJQZLZRPDFTHHF-GRYCIOLGSA-N 1 0 312.255 3.017 10 0 DGAERO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H]2C)CC1 ZINC000522560907 294921125 /nfs/dbraw/zinc/92/11/25/294921125.db2.gz WOZGGWNRQIGNFT-INMHGKMJSA-N 1 0 315.461 3.167 10 0 DGAERO c1cn(-c2ccccc2)nc1CN1CCC[C@H](c2ccncn2)C1 ZINC000359974956 434456328 /nfs/dbraw/zinc/45/63/28/434456328.db2.gz BPVOQYIVKWDXSF-INIZCTEOSA-N 1 0 319.412 3.042 10 0 DGAERO C[C@H]1C[C@H](Nc2ccnc3cccnc32)C[N@@H+]1Cc1ccccc1 ZINC000398093209 434456847 /nfs/dbraw/zinc/45/68/47/434456847.db2.gz WSGXDGZKWFDYRW-RDJZCZTQSA-N 1 0 318.424 3.127 10 0 DGAERO c1nc2c(c(NC3CC[NH+](C4CCC4)CC3)n1)CCCCC2 ZINC000450879832 434457582 /nfs/dbraw/zinc/45/75/82/434457582.db2.gz OUGGYIXEQHHENJ-UHFFFAOYSA-N 1 0 300.450 3.174 10 0 DGAERO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(F)c(Cl)cc1Cl ZINC000404194275 434508451 /nfs/dbraw/zinc/50/84/51/434508451.db2.gz OOHSLPZRTIYZIW-OTYXRUKQSA-N 1 0 322.207 3.325 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCCC2CC2)C1 ZINC000522907448 294931401 /nfs/dbraw/zinc/93/14/01/294931401.db2.gz FBBCEHXCXZNMBA-HUUCEWRRSA-N 1 0 309.498 3.232 10 0 DGAERO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(Cl)cc1Cl ZINC000404221064 434512166 /nfs/dbraw/zinc/51/21/66/434512166.db2.gz UCPRZGDVFPUEIG-YGRLFVJLSA-N 1 0 304.217 3.186 10 0 DGAERO CCc1csc(NC(=O)N2CCC(C[NH+](CC)CC)CC2)n1 ZINC000438595837 434516496 /nfs/dbraw/zinc/51/64/96/434516496.db2.gz CCFOAXJZBXQKLD-UHFFFAOYSA-N 1 0 324.494 3.291 10 0 DGAERO [NH3+]CC1(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000404858424 434523057 /nfs/dbraw/zinc/52/30/57/434523057.db2.gz UUQBDQJLTKVRJS-UHFFFAOYSA-N 1 0 302.205 3.244 10 0 DGAERO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccoc1C1CC1 ZINC000458222200 434534842 /nfs/dbraw/zinc/53/48/42/434534842.db2.gz LDLAZTDMPCLWQM-UHFFFAOYSA-N 1 0 318.442 3.423 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000408139777 434544621 /nfs/dbraw/zinc/54/46/21/434544621.db2.gz PHGOKBKHGNQANB-UKPHBRMFSA-N 1 0 324.428 3.232 10 0 DGAERO Cc1cc(C2CC[NH+](CCc3ccc(F)c(F)c3)CC2)[nH]n1 ZINC000360207506 434548343 /nfs/dbraw/zinc/54/83/43/434548343.db2.gz HQVRDFJKNIESND-UHFFFAOYSA-N 1 0 305.372 3.418 10 0 DGAERO CC[C@@]1(C)Oc2ccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2O1 ZINC000408226630 434554442 /nfs/dbraw/zinc/55/44/42/434554442.db2.gz RIOQREAWGHMFNB-LXIYXOSZSA-N 1 0 318.417 3.253 10 0 DGAERO CCn1nncc1C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000459338707 434567071 /nfs/dbraw/zinc/56/70/71/434567071.db2.gz GGSSGCYWNAIKDS-IBGZPJMESA-N 1 0 310.445 3.168 10 0 DGAERO C[N@H+](CCC1CCCC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000525623572 295022191 /nfs/dbraw/zinc/02/21/91/295022191.db2.gz MIQMHHBFEFPJIM-QGZVFWFLSA-N 1 0 304.409 3.443 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@H](C)Cc2ccsc2)n1 ZINC000526050822 295053592 /nfs/dbraw/zinc/05/35/92/295053592.db2.gz MCLSGOMWKXLHOK-LLVKDONJSA-N 1 0 324.471 3.145 10 0 DGAERO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000526932465 295063334 /nfs/dbraw/zinc/06/33/34/295063334.db2.gz PJAKEJWKWLLVQN-GXTWGEPZSA-N 1 0 320.399 3.440 10 0 DGAERO O[C@@H](C[NH+]1CCC(c2ccccc2F)CC1)CC(F)(F)F ZINC000527298552 295090040 /nfs/dbraw/zinc/09/00/40/295090040.db2.gz ZOOIRTCVIUNEJJ-GFCCVEGCSA-N 1 0 305.315 3.318 10 0 DGAERO Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000527649598 295109616 /nfs/dbraw/zinc/10/96/16/295109616.db2.gz PBXDKRKGZWQEHA-HXUWFJFHSA-N 1 0 309.457 3.392 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527713165 295118955 /nfs/dbraw/zinc/11/89/55/295118955.db2.gz TZULRFKNZXVSBO-CYBMUJFWSA-N 1 0 322.193 3.224 10 0 DGAERO c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527734893 295122520 /nfs/dbraw/zinc/12/25/20/295122520.db2.gz AIHJMDOJOMQEIM-PKOBYXMFSA-N 1 0 319.445 3.151 10 0 DGAERO c1nc2cnccn2c1C[NH2+]CC1CCc2ccccc2CC1 ZINC000527738005 295123351 /nfs/dbraw/zinc/12/33/51/295123351.db2.gz XBWMCNHEXOCNMS-UHFFFAOYSA-N 1 0 306.413 3.014 10 0 DGAERO c1cnn(-c2cccc(C[NH2+]C[C@H]3CCN3C3CCCCC3)c2)c1 ZINC000527751552 295125188 /nfs/dbraw/zinc/12/51/88/295125188.db2.gz JGLNVYHQHNQCQC-HXUWFJFHSA-N 1 0 324.472 3.369 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@@H]3CCN3C3CCCCC3)o2)n[nH]1 ZINC000527750881 295125479 /nfs/dbraw/zinc/12/54/79/295125479.db2.gz CNGJFJFCLIKMGG-HNNXBMFYSA-N 1 0 314.433 3.166 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527807138 295134016 /nfs/dbraw/zinc/13/40/16/295134016.db2.gz MTEVHOYVXKPOLQ-SFHVURJKSA-N 1 0 310.445 3.183 10 0 DGAERO c1ccc(-c2ncc(C[NH2+]C[C@H]3CCN3C3CCCC3)cn2)cc1 ZINC000527805770 295134079 /nfs/dbraw/zinc/13/40/79/295134079.db2.gz HXKCCTRKWWMYJG-LJQANCHMSA-N 1 0 322.456 3.250 10 0 DGAERO c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527808040 295134533 /nfs/dbraw/zinc/13/45/33/295134533.db2.gz PIPBIWFDGQXRIG-DOTOQJQBSA-N 1 0 300.446 3.159 10 0 DGAERO c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCN2C2CCCC2)cs1 ZINC000527808750 295134568 /nfs/dbraw/zinc/13/45/68/295134568.db2.gz KZYMVEIHWKAMNN-INIZCTEOSA-N 1 0 316.474 3.245 10 0 DGAERO c1c[nH]c([C@H](NC[C@H]2CC[N@@H+]2C2CCCCC2)c2ccccc2)n1 ZINC000527946089 295155128 /nfs/dbraw/zinc/15/51/28/295155128.db2.gz GOQPTTPEQOUTBW-RTBURBONSA-N 1 0 324.472 3.496 10 0 DGAERO Brc1cncc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528209844 295187135 /nfs/dbraw/zinc/18/71/35/295187135.db2.gz NPGXZNRCVVRVAJ-AWEZNQCLSA-N 1 0 310.239 3.273 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000360333674 434581700 /nfs/dbraw/zinc/58/17/00/434581700.db2.gz APKNEHVRPJAMEG-AWEZNQCLSA-N 1 0 312.360 3.143 10 0 DGAERO c1ccc2nc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)ccc2c1 ZINC000354042164 434590641 /nfs/dbraw/zinc/59/06/41/434590641.db2.gz WFAWSXPYRJWKTP-GOSISDBHSA-N 1 0 312.413 3.005 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H](O)c1ccc(C)cc1)CC2 ZINC000371042286 434637819 /nfs/dbraw/zinc/63/78/19/434637819.db2.gz INPZIETZBSBVNF-NRFANRHFSA-N 1 0 323.436 3.332 10 0 DGAERO O[C@@H]1[C@H](C[NH2+]CCc2ccc(Cl)cc2)CCC12CCOCC2 ZINC000459551128 434602582 /nfs/dbraw/zinc/60/25/82/434602582.db2.gz ZQYGEMZCQDXCHF-DOTOQJQBSA-N 1 0 323.864 3.040 10 0 DGAERO Brc1cccc(-c2c[nH]c(C[NH2+][C@@H]3CC34CC4)n2)c1 ZINC000424185596 434648855 /nfs/dbraw/zinc/64/88/55/434648855.db2.gz PZHLNNNZNLURLI-CYBMUJFWSA-N 1 0 318.218 3.481 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)CCc2n[nH]c3ccccc23)n1 ZINC000360625037 434650924 /nfs/dbraw/zinc/65/09/24/434650924.db2.gz JUQRBJNQVWYIAD-AWEZNQCLSA-N 1 0 324.428 3.120 10 0 DGAERO O[C@@H](CC[NH2+]Cc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000349275700 434657316 /nfs/dbraw/zinc/65/73/16/434657316.db2.gz IFMOPFVLZUAJJU-JTQLQIEISA-N 1 0 301.230 3.108 10 0 DGAERO c1ccc([C@H]([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c2ccccn2)cc1 ZINC000360675796 434663971 /nfs/dbraw/zinc/66/39/71/434663971.db2.gz XQINVNBRBXOEIC-IHPCNDPISA-N 1 0 324.424 3.099 10 0 DGAERO O[C@@H](CC[NH2+]Cc1ccccc1C(F)(F)F)C(F)(F)F ZINC000349331910 434677038 /nfs/dbraw/zinc/67/70/38/434677038.db2.gz MYWAIXFDWVIIPH-JTQLQIEISA-N 1 0 301.230 3.108 10 0 DGAERO Cc1cc(NCc2ccc(-n3cncn3)cc2)ccc1C[NH+](C)C ZINC000459733709 434683526 /nfs/dbraw/zinc/68/35/26/434683526.db2.gz BODTYQJAIDRVMZ-UHFFFAOYSA-N 1 0 321.428 3.249 10 0 DGAERO Cc1cc2nnc(SC[C@H](C)[NH+](C)C)n2c2ccccc12 ZINC000460440276 434758906 /nfs/dbraw/zinc/75/89/06/434758906.db2.gz XQCONUQNAMATMF-LBPRGKRZSA-N 1 0 300.431 3.233 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2ccccc2OC(C)C)CCOCC1 ZINC000453064520 434789061 /nfs/dbraw/zinc/78/90/61/434789061.db2.gz IWLFWBAVKDHBBG-HNNXBMFYSA-N 1 0 307.434 3.148 10 0 DGAERO c1cc(CN2CCOCC2)ccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453097596 434799431 /nfs/dbraw/zinc/79/94/31/434799431.db2.gz UOIBGDXGSAPKQF-HXUWFJFHSA-N 1 0 314.473 3.187 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@@H](Nc2ccccc2)C(C)C)CCOCC1 ZINC000453105581 434802818 /nfs/dbraw/zinc/80/28/18/434802818.db2.gz XCZXLCXBVLMOLS-SJLPKXTDSA-N 1 0 320.477 3.297 10 0 DGAERO CC(C)[C@H](CNC(=O)N1CCCC12CCC2)[NH+]1CCC(C)CC1 ZINC000444846838 434790045 /nfs/dbraw/zinc/79/00/45/434790045.db2.gz JZINBAHJZWXSBU-KRWDZBQOSA-N 1 0 321.509 3.471 10 0 DGAERO COCCC1(C[NH2+][C@H](C)C2(OC)CCOCC2)CCCCC1 ZINC000453203157 434828152 /nfs/dbraw/zinc/82/81/52/434828152.db2.gz QACYSTXFZVFLTD-MRXNPFEDSA-N 1 0 313.482 3.147 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cs1 ZINC000453221255 434832851 /nfs/dbraw/zinc/83/28/51/434832851.db2.gz RTGFKBXBYCGBDT-OFQRWUPVSA-N 1 0 309.475 3.275 10 0 DGAERO COC1([C@@H](C)[NH2+]Cc2ccc(C(C)(F)F)cc2)CCOCC1 ZINC000453246530 434840186 /nfs/dbraw/zinc/84/01/86/434840186.db2.gz VJFFHZOZIBZROD-CYBMUJFWSA-N 1 0 313.388 3.472 10 0 DGAERO c1c(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)nc2ncccn12 ZINC000411981214 434851071 /nfs/dbraw/zinc/85/10/71/434851071.db2.gz JXNYMNKHRDKBMY-SFHVURJKSA-N 1 0 318.424 3.499 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CC2CCCC2)c2ccccc21 ZINC000573111242 434876279 /nfs/dbraw/zinc/87/62/79/434876279.db2.gz OQNFXLSEHCRSND-SJLPKXTDSA-N 1 0 316.445 3.015 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000462018188 434896783 /nfs/dbraw/zinc/89/67/83/434896783.db2.gz ULSOOELUVBZDPP-INIZCTEOSA-N 1 0 305.466 3.335 10 0 DGAERO C[C@@H](NC(=O)CCC1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000637884847 434899361 /nfs/dbraw/zinc/89/93/61/434899361.db2.gz TZCYPNUNDNAVNR-SECBINFHSA-N 1 0 301.217 3.170 10 0 DGAERO COC[C@H](O)C[NH+]1CCC(Cc2ccc(C(C)C)cc2)CC1 ZINC000462462433 434914188 /nfs/dbraw/zinc/91/41/88/434914188.db2.gz BTFBABZJVKOKAC-LJQANCHMSA-N 1 0 305.462 3.072 10 0 DGAERO c1c2cccnc2oc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000573671792 434916440 /nfs/dbraw/zinc/91/64/40/434916440.db2.gz NTHDPHRFXJRWCQ-UHFFFAOYSA-N 1 0 308.385 3.113 10 0 DGAERO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000491852331 434870084 /nfs/dbraw/zinc/87/00/84/434870084.db2.gz ODLCSXQEFQUJGA-SNRMKQJTSA-N 1 0 324.424 3.158 10 0 DGAERO C[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(Br)cn1 ZINC000573061463 434871614 /nfs/dbraw/zinc/87/16/14/434871614.db2.gz WXGMTRVBAKNSOV-RYUDHWBXSA-N 1 0 313.239 3.311 10 0 DGAERO O=C(NCCCC1CC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000522908823 434935288 /nfs/dbraw/zinc/93/52/88/434935288.db2.gz KOVKSGRJUUGWTG-SFHVURJKSA-N 1 0 315.461 3.313 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCCC2CC2)C1 ZINC000522907446 434935404 /nfs/dbraw/zinc/93/54/04/434935404.db2.gz FBBCEHXCXZNMBA-GASCZTMLSA-N 1 0 309.498 3.232 10 0 DGAERO O=C(NCCCC1CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000522914375 434935640 /nfs/dbraw/zinc/93/56/40/434935640.db2.gz FKXNCZXZGJXXGT-KRWDZBQOSA-N 1 0 318.436 3.344 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@]2(C)CCCO2)cc1 ZINC000462799826 434929518 /nfs/dbraw/zinc/92/95/18/434929518.db2.gz YJHNZQXTDOUPLT-SFHVURJKSA-N 1 0 305.418 3.301 10 0 DGAERO c1cc(-c2nc(CN3CC[C@]4(C3)CCC[NH2+]C4)cs2)cs1 ZINC000574572290 434988539 /nfs/dbraw/zinc/98/85/39/434988539.db2.gz NACGYIWEXRIOAA-MRXNPFEDSA-N 1 0 319.499 3.447 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NCC(C2CC2)C2CC2)CC1 ZINC000524788248 434992644 /nfs/dbraw/zinc/99/26/44/434992644.db2.gz IVIZJLPLJNMAQR-UHFFFAOYSA-N 1 0 321.509 3.186 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000556122568 434996389 /nfs/dbraw/zinc/99/63/89/434996389.db2.gz GYLRFCCZYNURPQ-HNNXBMFYSA-N 1 0 314.832 3.008 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000464801169 435001939 /nfs/dbraw/zinc/00/19/39/435001939.db2.gz ZVEKLEVKPOTUHK-UHFFFAOYSA-N 1 0 312.816 3.331 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000466091071 435061457 /nfs/dbraw/zinc/06/14/57/435061457.db2.gz DLRDMIRGRQMEDC-OKZBNKHCSA-N 1 0 321.509 3.376 10 0 DGAERO COc1cc(C[NH2+]CCOCC2CCC2)ccc1OC(C)C ZINC000578185614 435064696 /nfs/dbraw/zinc/06/46/96/435064696.db2.gz BMDASIPTZBGTGJ-UHFFFAOYSA-N 1 0 307.434 3.389 10 0 DGAERO Fc1ccc(OCC[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000466485060 435077537 /nfs/dbraw/zinc/07/75/37/435077537.db2.gz NMRYLYQHMUTJRY-UHFFFAOYSA-N 1 0 306.406 3.088 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(C1)CCCCC2 ZINC000465760541 435042902 /nfs/dbraw/zinc/04/29/02/435042902.db2.gz ROOGNFRMIQTSNO-IAGOWNOFSA-N 1 0 321.509 3.473 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC2(C)CCC(C)CC2)CC1 ZINC000465887612 435050769 /nfs/dbraw/zinc/05/07/69/435050769.db2.gz BMTMTKVPXFRVNF-UHFFFAOYSA-N 1 0 309.498 3.376 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000465910832 435050782 /nfs/dbraw/zinc/05/07/82/435050782.db2.gz OWRCUXFXCIMLFF-BFYDXBDKSA-N 1 0 309.498 3.232 10 0 DGAERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000470941195 435136413 /nfs/dbraw/zinc/13/64/13/435136413.db2.gz UCUINIVSLMKKDL-FRRDWIJNSA-N 1 0 320.399 3.296 10 0 DGAERO COc1cc([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)ccn1 ZINC000559922731 435143139 /nfs/dbraw/zinc/14/31/39/435143139.db2.gz WTLPXLPDCMADRM-AWEZNQCLSA-N 1 0 308.385 3.127 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CC[C@H](C)C2)CC1 ZINC000475480557 435199787 /nfs/dbraw/zinc/19/97/87/435199787.db2.gz ULTXPJQCDIZHDF-DOTOQJQBSA-N 1 0 309.498 3.186 10 0 DGAERO CC(C)COCCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000561476926 435219301 /nfs/dbraw/zinc/21/93/01/435219301.db2.gz KXGSGULGXFEUTM-GOSISDBHSA-N 1 0 324.509 3.210 10 0 DGAERO Cc1ccc(-c2noc(C[NH2+]C3(CCO)CCCCC3)n2)cc1 ZINC000533070018 435209666 /nfs/dbraw/zinc/20/96/66/435209666.db2.gz GSCPILLQVDZLRQ-UHFFFAOYSA-N 1 0 315.417 3.220 10 0 DGAERO C[C@H](C(=O)N1CCC[C@@H]1c1cccc2ccccc21)C1C[NH2+]C1 ZINC000262548864 298033968 /nfs/dbraw/zinc/03/39/68/298033968.db2.gz OLDWOKDSFYHTHP-IFXJQAMLSA-N 1 0 308.425 3.359 10 0 DGAERO c1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)[C@@H]3CCOC[C@H]23)cc1 ZINC000511793943 435332830 /nfs/dbraw/zinc/33/28/30/435332830.db2.gz CRCPQWPRNQYRCK-VNTMZGSJSA-N 1 0 315.457 3.450 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)ccn1 ZINC000535668533 435340701 /nfs/dbraw/zinc/34/07/01/435340701.db2.gz ORPNLPXCLRSVAX-AWEZNQCLSA-N 1 0 320.433 3.034 10 0 DGAERO CC[C@H]1CCC[C@H](C[NH2+]Cc2cccc(N3CCOCC3)n2)C1 ZINC000479603527 435342552 /nfs/dbraw/zinc/34/25/52/435342552.db2.gz QZUGJUIONHBRLB-IRXDYDNUSA-N 1 0 317.477 3.224 10 0 DGAERO CC[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(N3CCOCC3)n2)C1 ZINC000479603525 435343026 /nfs/dbraw/zinc/34/30/26/435343026.db2.gz QZUGJUIONHBRLB-IAGOWNOFSA-N 1 0 317.477 3.224 10 0 DGAERO C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]Cc1cn(C)nn1 ZINC000608054064 435349659 /nfs/dbraw/zinc/34/96/59/435349659.db2.gz SHMXDQMJXCVTSG-HNNXBMFYSA-N 1 0 306.413 3.203 10 0 DGAERO C[C@@H](CCC1CCCC1)[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000536845802 435414445 /nfs/dbraw/zinc/41/44/45/435414445.db2.gz MSWVDTAMGCQWQG-AWEZNQCLSA-N 1 0 321.486 3.465 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000513527980 435392067 /nfs/dbraw/zinc/39/20/67/435392067.db2.gz WEBOQOQLGJEXAK-PMIASWJSSA-N 1 0 306.837 3.377 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@H]3COCC[C@H]32)cc2c1OCC2 ZINC000482165809 435454602 /nfs/dbraw/zinc/45/46/02/435454602.db2.gz BZSVEJCYHBBZKC-ZWKOTPCHSA-N 1 0 301.430 3.055 10 0 DGAERO c1nc(N2CCCC2)ncc1C[NH2+]CC1(C2CCC2)CCC1 ZINC000568840808 435475226 /nfs/dbraw/zinc/47/52/26/435475226.db2.gz RANCWLZSEMIKLB-UHFFFAOYSA-N 1 0 300.450 3.137 10 0 DGAERO C[C@H](C1CC1)n1cc(NC(=O)C2(C[NH+](C)C)CCCCC2)cn1 ZINC000568361529 435429094 /nfs/dbraw/zinc/42/90/94/435429094.db2.gz AHCZPWOIJVWNMU-CQSZACIVSA-N 1 0 318.465 3.305 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)CN1Cc1ccccc1 ZINC000514834022 435441346 /nfs/dbraw/zinc/44/13/46/435441346.db2.gz WXYWSXANKXZLEH-QFBILLFUSA-N 1 0 302.462 3.056 10 0 DGAERO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000483285533 435509140 /nfs/dbraw/zinc/50/91/40/435509140.db2.gz NQCGXFBILXVFDN-NVXWUHKLSA-N 1 0 312.461 3.486 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](CCCCOc1ccccc1)CC2 ZINC000483482192 435522286 /nfs/dbraw/zinc/52/22/86/435522286.db2.gz JWXNTLOIIDJAII-MJGOQNOKSA-N 1 0 303.446 3.473 10 0 DGAERO CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2C[C@H]2C)CC1)CC1CC1 ZINC000538913833 435530774 /nfs/dbraw/zinc/53/07/74/435530774.db2.gz LMMLXPATTWWZJD-QAPCUYQASA-N 1 0 321.509 3.186 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000538204244 435484989 /nfs/dbraw/zinc/48/49/89/435484989.db2.gz CEOLZJOABUWGPU-VIFPVBQESA-N 1 0 317.767 3.082 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000538317158 435492481 /nfs/dbraw/zinc/49/24/81/435492481.db2.gz LNBHQSXSOPHHKT-UHFFFAOYSA-N 1 0 320.452 3.438 10 0 DGAERO COc1ccc(OC)c(C[N@H+](C)CCN(C)c2ccccc2)c1 ZINC000539835610 435572429 /nfs/dbraw/zinc/57/24/29/435572429.db2.gz HNMJPSGHMQIPAC-UHFFFAOYSA-N 1 0 314.429 3.272 10 0 DGAERO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1C[C@@H]1C ZINC000540118610 435588072 /nfs/dbraw/zinc/58/80/72/435588072.db2.gz PIRRWDHDBWUIMM-GUTXKFCHSA-N 1 0 308.853 3.323 10 0 DGAERO CCC[N@H+](C)CC(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000517370684 435589888 /nfs/dbraw/zinc/58/98/88/435589888.db2.gz LMWOLUICBOKWQO-UHFFFAOYSA-N 1 0 323.487 3.138 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000540156161 435590094 /nfs/dbraw/zinc/59/00/94/435590094.db2.gz FPILHLBIMRUMOR-MAUKXSAKSA-N 1 0 317.477 3.340 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500180 435545245 /nfs/dbraw/zinc/54/52/45/435545245.db2.gz HOOWNPQGTCMDDM-AFYVEPGGSA-N 1 0 316.489 3.038 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]Cc3cccnc3)CC23CC3)cc1 ZINC000569603981 435546495 /nfs/dbraw/zinc/54/64/95/435546495.db2.gz HBFJMZARLCCRIZ-IBGZPJMESA-N 1 0 307.441 3.368 10 0 DGAERO c1cc(CN2CCC([NH2+]C[C@H]3CC4CCC3CC4)CC2)ccn1 ZINC000517741212 435609869 /nfs/dbraw/zinc/60/98/69/435609869.db2.gz FEQDCMKVAPDPQU-NKELODKYSA-N 1 0 313.489 3.462 10 0 DGAERO c1nc2cc(C[NH2+]C3CCN(c4ccccc4)CC3)ccc2[nH]1 ZINC000518262811 435629435 /nfs/dbraw/zinc/62/94/35/435629435.db2.gz FIJLNYXVZKGAOM-UHFFFAOYSA-N 1 0 306.413 3.322 10 0 DGAERO CC[NH+]1CCC(CNC(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000571135682 435680655 /nfs/dbraw/zinc/68/06/55/435680655.db2.gz RXYSGFSHBUWIFM-UHFFFAOYSA-N 1 0 307.482 3.084 10 0 DGAERO C[N@H+](CCC(=O)Nc1cccc(CCCO)c1)C1CCCCC1 ZINC000548720570 435712414 /nfs/dbraw/zinc/71/24/14/435712414.db2.gz JCABYSZFYFKHFO-UHFFFAOYSA-N 1 0 318.461 3.205 10 0 DGAERO C[NH+](C)C1CC(NCc2cc(Br)c(Cl)s2)C1 ZINC000572060960 435778436 /nfs/dbraw/zinc/77/84/36/435778436.db2.gz UBOZXHKPKZRCMJ-UHFFFAOYSA-N 1 0 323.687 3.346 10 0 DGAERO C[N@H+](Cc1c(F)cccc1OC(F)(F)F)C1CCOCC1 ZINC000551552254 435840304 /nfs/dbraw/zinc/84/03/04/435840304.db2.gz KIBYSPNMWBQHDR-UHFFFAOYSA-N 1 0 307.287 3.335 10 0 DGAERO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551927563 435859733 /nfs/dbraw/zinc/85/97/33/435859733.db2.gz ADZSKVYYPCVLAS-RISCZKNCSA-N 1 0 303.431 3.429 10 0 DGAERO c1nc2n(c1C[NH2+]Cc1ccccc1OCC1CC1)CCCC2 ZINC000551227232 435824737 /nfs/dbraw/zinc/82/47/37/435824737.db2.gz GLFOHKYPOPGUPJ-UHFFFAOYSA-N 1 0 311.429 3.298 10 0 DGAERO C[NH+](C)CCc1ccc(CNC(=O)N2CCCC23CCC3)cc1 ZINC000572452182 435825844 /nfs/dbraw/zinc/82/58/44/435825844.db2.gz JFSNTEIGHHBOFV-UHFFFAOYSA-N 1 0 315.461 3.019 10 0 DGAERO Clc1cc(Br)cnc1NCCC1CC[NH2+]CC1 ZINC000650310343 435884925 /nfs/dbraw/zinc/88/49/25/435884925.db2.gz ZDPXNUJPATVKMZ-UHFFFAOYSA-N 1 0 318.646 3.299 10 0 DGAERO Brc1ccc(N2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656608859 435982273 /nfs/dbraw/zinc/98/22/73/435982273.db2.gz NTQPBJSXNQWFPV-ZDUSSCGKSA-N 1 0 324.266 3.060 10 0 DGAERO Cc1ncc(C[NH2+][C@H]2CCc3cc(Br)ccc32)n1C ZINC000657336592 436146125 /nfs/dbraw/zinc/14/61/25/436146125.db2.gz VDBZVSLKRBNZTI-HNNXBMFYSA-N 1 0 320.234 3.268 10 0 DGAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1cccc(Cl)c1Cl ZINC000647921418 436149102 /nfs/dbraw/zinc/14/91/02/436149102.db2.gz IOJRLEBVKSXYEM-LLVKDONJSA-N 1 0 301.217 3.142 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000183562935 301021412 /nfs/dbraw/zinc/02/14/12/301021412.db2.gz RWVZUCGFPQUFML-DGCLKSJQSA-N 1 0 309.431 3.073 10 0 DGAERO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1(C)OCCCO1)CCCO2 ZINC000190655813 301211503 /nfs/dbraw/zinc/21/15/03/301211503.db2.gz AECYSGBSDKTCHD-MRXNPFEDSA-N 1 0 305.418 3.260 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(F)c(Cl)cc1Cl ZINC000658246062 436409533 /nfs/dbraw/zinc/40/95/33/436409533.db2.gz WVDIBVMBDNISOJ-IUCAKERBSA-N 1 0 319.207 3.261 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CC[S@](=O)C(C)(C)C)CCCO2 ZINC000127407943 301910153 /nfs/dbraw/zinc/91/01/53/301910153.db2.gz LGWOWNSRTCBDEG-QVKFZJNVSA-N 1 0 309.475 3.346 10 0 DGAERO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262249552 302022692 /nfs/dbraw/zinc/02/26/92/302022692.db2.gz SKNIXMBXXJTAAR-QAPCUYQASA-N 1 0 300.446 3.294 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000090226862 302675698 /nfs/dbraw/zinc/67/56/98/302675698.db2.gz YAHUFEDXWLMWNB-DLBZAZTESA-N 1 0 316.424 3.417 10 0 DGAERO Cc1sc2nc(C)nc(N3CC[C@@H](C)[C@H](C[NH3+])C3)c2c1C ZINC000261773764 302881508 /nfs/dbraw/zinc/88/15/08/302881508.db2.gz WJBRVCWGOPVNIU-NOZJJQNGSA-N 1 0 304.463 3.038 10 0 DGAERO CC(C)c1ccc(C[C@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000166291873 312693790 /nfs/dbraw/zinc/69/37/90/312693790.db2.gz ULIDATWWDFXWFT-MAUKXSAKSA-N 1 0 317.477 3.087 10 0 DGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000170986346 312708127 /nfs/dbraw/zinc/70/81/27/312708127.db2.gz XZVQHTCSBPYHBM-DLBZAZTESA-N 1 0 318.461 3.245 10 0 DGAERO CCCc1ccc([C@H]([NH2+]C2CCN(C(N)=O)CC2)C(C)C)cc1 ZINC000178417988 312789826 /nfs/dbraw/zinc/78/98/26/312789826.db2.gz ABTZHHICDVGMTM-GOSISDBHSA-N 1 0 317.477 3.469 10 0 DGAERO c1cc(-c2ccc(C[NH+]3CCC([C@@H]4CCCO4)CC3)o2)n[nH]1 ZINC000376507028 312957673 /nfs/dbraw/zinc/95/76/73/312957673.db2.gz SSSUXVXEIDGZIR-INIZCTEOSA-N 1 0 301.390 3.061 10 0 DGAERO c1ccc2c(c1)OC1(CCN(c3ccnc4ccncc43)C1)O2 ZINC000377173912 313025152 /nfs/dbraw/zinc/02/51/52/313025152.db2.gz BSSRKJCTVHGRKE-UHFFFAOYSA-N 1 0 305.337 3.008 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1Cl ZINC000528690585 313059496 /nfs/dbraw/zinc/05/94/96/313059496.db2.gz YFVDVKWSFGANHP-OAHLLOKOSA-N 1 0 323.824 3.004 10 0 DGAERO CC(=O)[C@](C)(O)C[N@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000528742496 313070257 /nfs/dbraw/zinc/07/02/57/313070257.db2.gz NMRUNTHBSJNDDG-QGZVFWFLSA-N 1 0 307.821 3.078 10 0 DGAERO Brc1sccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000529531755 313218466 /nfs/dbraw/zinc/21/84/66/313218466.db2.gz QFSQDDCZPUZQKQ-PWSUYJOCSA-N 1 0 316.264 3.369 10 0 DGAERO c1coc(CC2C[NH+](Cc3cnc(-c4ccncc4)s3)C2)c1 ZINC000529649322 313248217 /nfs/dbraw/zinc/24/82/17/313248217.db2.gz RKYAWPYQKCHBND-UHFFFAOYSA-N 1 0 311.410 3.473 10 0 DGAERO c1ccc(OC2CCCC2)c(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530179754 313334909 /nfs/dbraw/zinc/33/49/09/313334909.db2.gz WTDCGHHSOKYCHH-GOSISDBHSA-N 1 0 300.446 3.382 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc2c1OCO2 ZINC000530492216 313375270 /nfs/dbraw/zinc/37/52/70/313375270.db2.gz ZMVQGCHCZZADAJ-BRWVUGGUSA-N 1 0 317.429 3.143 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ncccc1F ZINC000530529640 313381120 /nfs/dbraw/zinc/38/11/20/313381120.db2.gz ZOYIOLIFFYXJSR-MAUKXSAKSA-N 1 0 313.420 3.221 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ccccc3)C1=O)CC2 ZINC000532538885 313559713 /nfs/dbraw/zinc/55/97/13/313559713.db2.gz VCZJFFYQRPFYHA-RTBURBONSA-N 1 0 306.409 3.377 10 0 DGAERO c1cn(CCCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000535087451 313699725 /nfs/dbraw/zinc/69/97/25/313699725.db2.gz HEHRAGJUJUVRCS-PKOBYXMFSA-N 1 0 313.445 3.421 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000540157332 313950208 /nfs/dbraw/zinc/95/02/08/313950208.db2.gz GHGHUTSDVXQXTE-RHSMWYFYSA-N 1 0 317.477 3.439 10 0 DGAERO OC1(C(F)(F)F)CCC([NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000540159590 313950215 /nfs/dbraw/zinc/95/02/15/313950215.db2.gz LCDCWUNROVLBRH-HSOILSAZSA-N 1 0 301.299 3.390 10 0 DGAERO C[N@H+](C[C@H]1CC=CCC1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000541313466 314007279 /nfs/dbraw/zinc/00/72/79/314007279.db2.gz LXFCROYAQNRBIU-BBRMVZONSA-N 1 0 320.383 3.358 10 0 DGAERO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)C[C@@H]1CC=CCC1 ZINC000541326756 314008657 /nfs/dbraw/zinc/00/86/57/314008657.db2.gz VQOPIDJCABMFDM-CQSZACIVSA-N 1 0 306.837 3.244 10 0 DGAERO C[C@H](CNC(=O)N(C)C[C@@H]1CC=CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000541339061 314009808 /nfs/dbraw/zinc/00/98/08/314009808.db2.gz XGJVQPKQGHDSRT-BRWVUGGUSA-N 1 0 307.482 3.105 10 0 DGAERO CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(Cl)s1 ZINC000541814297 314040044 /nfs/dbraw/zinc/04/00/44/314040044.db2.gz TVCNWLVSLXNPJH-LLVKDONJSA-N 1 0 317.886 3.446 10 0 DGAERO CCc1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CC=CCC2)s1 ZINC000542243888 314063857 /nfs/dbraw/zinc/06/38/57/314063857.db2.gz JUSFACCACLMTRI-CQSZACIVSA-N 1 0 306.475 3.215 10 0 DGAERO C[C@H]1C[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000542318935 314069237 /nfs/dbraw/zinc/06/92/37/314069237.db2.gz BOWAPLQTKDBXTC-UWVGGRQHSA-N 1 0 311.216 3.320 10 0 DGAERO COC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)cc1 ZINC000542542270 314084160 /nfs/dbraw/zinc/08/41/60/314084160.db2.gz SAJJCOWQJLSCLE-RBUKOAKNSA-N 1 0 317.404 3.097 10 0 DGAERO Cn1ccc([C@H](NCC(C)(C)[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000542670129 314090292 /nfs/dbraw/zinc/09/02/92/314090292.db2.gz BNWPNNIPWQIJDN-MRXNPFEDSA-N 1 0 320.868 3.093 10 0 DGAERO Cn1ccc([C@@H]([NH2+]CC2CCOCC2)c2ccc(Cl)cc2)n1 ZINC000542678353 314090699 /nfs/dbraw/zinc/09/06/99/314090699.db2.gz RMZNNCIDTQVNIM-KRWDZBQOSA-N 1 0 319.836 3.179 10 0 DGAERO C[C@H](NC(=O)NCCCC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542829874 314101632 /nfs/dbraw/zinc/10/16/32/314101632.db2.gz DLIAVHIKLPDAQY-GOEBONIOSA-N 1 0 307.482 3.129 10 0 DGAERO c1coc(COCc2cccc(C[NH2+][C@H]3CCCOC3)c2)c1 ZINC000542861869 314103809 /nfs/dbraw/zinc/10/38/09/314103809.db2.gz XGFOQBTVIXIFCG-KRWDZBQOSA-N 1 0 301.386 3.265 10 0 DGAERO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)C[C@H]1CC=CCC1 ZINC000543173565 314117667 /nfs/dbraw/zinc/11/76/67/314117667.db2.gz VEHBFYFMOZLCQN-INIZCTEOSA-N 1 0 320.864 3.287 10 0 DGAERO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000543177194 314118486 /nfs/dbraw/zinc/11/84/86/314118486.db2.gz RQRSMVMPARBSJV-HOTGVXAUSA-N 1 0 319.449 3.190 10 0 DGAERO Cc1ccccc1-c1cccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000543621465 314146080 /nfs/dbraw/zinc/14/60/80/314146080.db2.gz RGNIBRHRHXVZKI-FQEVSTJZSA-N 1 0 322.452 3.178 10 0 DGAERO C[N@H+](C[C@H](O)COc1ccccc1Cl)C[C@H]1CC=CCC1 ZINC000544106534 314173074 /nfs/dbraw/zinc/17/30/74/314173074.db2.gz PABBZBVBMYIEOC-GJZGRUSLSA-N 1 0 309.837 3.368 10 0 DGAERO C[C@@]1(CO)CCC[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000544759484 314209859 /nfs/dbraw/zinc/20/98/59/314209859.db2.gz HHYVUSIIYMTGOB-AWEZNQCLSA-N 1 0 304.217 3.219 10 0 DGAERO Cc1cc2cccnc2c(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000545170190 314229187 /nfs/dbraw/zinc/22/91/87/314229187.db2.gz YWXFDGAOFLFNCM-UHFFFAOYSA-N 1 0 324.428 3.317 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000546154689 314293387 /nfs/dbraw/zinc/29/33/87/314293387.db2.gz RNNVMZZTNDUYBD-INIZCTEOSA-N 1 0 307.482 3.106 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@H](C)c2ccccc2F)CC1 ZINC000546565390 314311292 /nfs/dbraw/zinc/31/12/92/314311292.db2.gz ACXMLWJKHYITIE-OAHLLOKOSA-N 1 0 319.424 3.180 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000547283750 314353070 /nfs/dbraw/zinc/35/30/70/314353070.db2.gz NFURUVNGJZZKSB-SJORKVTESA-N 1 0 318.848 3.212 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccncc1C#N ZINC000547504007 314374965 /nfs/dbraw/zinc/37/49/65/314374965.db2.gz GEPOIUBFQNAEEA-MRXNPFEDSA-N 1 0 320.440 3.362 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000547646029 314383234 /nfs/dbraw/zinc/38/32/34/314383234.db2.gz RFDIRKGHGJBSNG-LJQANCHMSA-N 1 0 314.473 3.330 10 0 DGAERO CC[C@H](C)Oc1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000548800204 314475310 /nfs/dbraw/zinc/47/53/10/314475310.db2.gz GLOCNPYCPJIYLG-AWEZNQCLSA-N 1 0 307.438 3.279 10 0 DGAERO CC[NH+](CC)Cc1ccc(C(=O)NCCOCC2CCC2)cc1 ZINC000549103158 314494501 /nfs/dbraw/zinc/49/45/01/314494501.db2.gz KGRQFLIMUYMEOM-UHFFFAOYSA-N 1 0 318.461 3.075 10 0 DGAERO Cc1cc(CC[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)on1 ZINC000552339867 314612021 /nfs/dbraw/zinc/61/20/21/314612021.db2.gz GMEYKIZKKYSKBN-CQSZACIVSA-N 1 0 309.413 3.462 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c4ccc(C)cc34)[C@@H]2C1 ZINC000554690454 314695671 /nfs/dbraw/zinc/69/56/71/314695671.db2.gz WTJINWCCJHSLJA-KVSKMBFKSA-N 1 0 323.440 3.024 10 0 DGAERO CCCCc1noc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n1 ZINC000555415422 314722640 /nfs/dbraw/zinc/72/26/40/314722640.db2.gz USGRSYSUZKCWCI-WMHQRMGPSA-N 1 0 319.449 3.411 10 0 DGAERO c1c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[nH]nc1-c1cccnc1 ZINC000559333615 314881950 /nfs/dbraw/zinc/88/19/50/314881950.db2.gz OKFKBXYXGPGGLC-WMZOPIPTSA-N 1 0 304.397 3.365 10 0 DGAERO Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H](c4ccnn4C)C3)nc2c1 ZINC000562616595 315036599 /nfs/dbraw/zinc/03/65/99/315036599.db2.gz DAPLZGHCHMRODH-LSDHHAIUSA-N 1 0 323.444 3.421 10 0 DGAERO O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562979200 315066694 /nfs/dbraw/zinc/06/66/94/315066694.db2.gz VXMVCUICCXZCSP-OAHLLOKOSA-N 1 0 313.228 3.209 10 0 DGAERO CCC1(CC)CN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000564361390 315171981 /nfs/dbraw/zinc/17/19/81/315171981.db2.gz MALPMTWMJLYAQH-UHFFFAOYSA-N 1 0 315.461 3.255 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000565658513 315277735 /nfs/dbraw/zinc/27/77/35/315277735.db2.gz PKGBWQWFBBDAEK-MSOLQXFVSA-N 1 0 310.445 3.183 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@H]3CCSC3)CC23CC3)cc1 ZINC000566215452 315322909 /nfs/dbraw/zinc/32/29/09/315322909.db2.gz DUJVGPIYSXURCN-IRXDYDNUSA-N 1 0 302.487 3.279 10 0 DGAERO c1ccc(CN2CCCO[C@@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000566501204 315353979 /nfs/dbraw/zinc/35/39/79/315353979.db2.gz PHUQKPHVJRYBRW-RBUKOAKNSA-N 1 0 314.473 3.200 10 0 DGAERO CO[C@]1(C)CCC[N@H+](Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000567008581 315389691 /nfs/dbraw/zinc/38/96/91/315389691.db2.gz IRSRBRLKCBCFIC-GOSISDBHSA-N 1 0 315.417 3.436 10 0 DGAERO c1ccc(N2CCO[C@H](C[NH2+][C@@H](c3cccnc3)C3CC3)C2)cc1 ZINC000573016680 315835003 /nfs/dbraw/zinc/83/50/03/315835003.db2.gz YNGVBITULYNTBK-WOJBJXKFSA-N 1 0 323.440 3.028 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(Br)cn2)[nH]n1 ZINC000576761620 316164859 /nfs/dbraw/zinc/16/48/59/316164859.db2.gz SUJRAOBMVVGWLQ-GXSJLCMTSA-N 1 0 323.238 3.157 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cn2)[nH]n1 ZINC000576761621 316165356 /nfs/dbraw/zinc/16/53/56/316165356.db2.gz SUJRAOBMVVGWLQ-KOLCDFICSA-N 1 0 323.238 3.157 10 0 DGAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000577732697 316265095 /nfs/dbraw/zinc/26/50/95/316265095.db2.gz MUBMTOAKYWSIPV-LPEHRKFASA-N 1 0 319.232 3.003 10 0 DGAERO C[C@](O)(C[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000578063484 316299844 /nfs/dbraw/zinc/29/98/44/316299844.db2.gz XAPSREFIIGBHGG-SLTAFYQDSA-N 1 0 323.399 3.143 10 0 DGAERO CCc1oc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1C ZINC000180122403 323222013 /nfs/dbraw/zinc/22/20/13/323222013.db2.gz QWWAQPGCMLRAMV-CRAIPNDOSA-N 1 0 312.413 3.326 10 0 DGAERO CCC[C@@H](C[N@@H+]1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000180129023 323222132 /nfs/dbraw/zinc/22/21/32/323222132.db2.gz CEOJTWMGLNIKTQ-OALUTQOASA-N 1 0 313.445 3.168 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn(C)nc1-c1ccccc1 ZINC000180162158 323222460 /nfs/dbraw/zinc/22/24/60/323222460.db2.gz LREIFFMWAMSCGI-SFHVURJKSA-N 1 0 312.461 3.003 10 0 DGAERO Cc1cccc([C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C(C)(C)C)c1 ZINC000180797857 323238730 /nfs/dbraw/zinc/23/87/30/323238730.db2.gz RDPDHVMCSLPHHI-GDBMZVCRSA-N 1 0 311.491 3.353 10 0 DGAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000180995373 323243516 /nfs/dbraw/zinc/24/35/16/323243516.db2.gz CYNWLYPEQKPSBZ-OAHLLOKOSA-N 1 0 305.809 3.385 10 0 DGAERO C[C@@H](CNC(=O)c1c[nH]c2cc(F)ccc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000181135235 323246717 /nfs/dbraw/zinc/24/67/17/323246717.db2.gz YUQLDOFPFHIFRX-OLZOCXBDSA-N 1 0 317.408 3.157 10 0 DGAERO C[C@H](NC(=O)c1c[nH]c2cc(F)ccc12)C(C)(C)C[NH+](C)C ZINC000181234000 323249708 /nfs/dbraw/zinc/24/97/08/323249708.db2.gz PHJSSJGGDPPCRM-NSHDSACASA-N 1 0 305.397 3.013 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000181664387 323263120 /nfs/dbraw/zinc/26/31/20/323263120.db2.gz GDELQFYRKROQOQ-PKOBYXMFSA-N 1 0 319.445 3.245 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCC2(C)CCCCCC2)CC[N@@H+]1C ZINC000181720264 323265594 /nfs/dbraw/zinc/26/55/94/323265594.db2.gz ZENBGLTZGWZEMZ-HZPDHXFCSA-N 1 0 309.498 3.471 10 0 DGAERO C[C@H](Cc1ccccc1)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000182029827 323280388 /nfs/dbraw/zinc/28/03/88/323280388.db2.gz YUDCRGZAENPNFQ-QGZVFWFLSA-N 1 0 314.473 3.200 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182245580 323288621 /nfs/dbraw/zinc/28/86/21/323288621.db2.gz HKPLRSUFXBXSEP-CVEARBPZSA-N 1 0 310.482 3.153 10 0 DGAERO Cc1cnn(CCCCC[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000182279069 323290310 /nfs/dbraw/zinc/29/03/10/323290310.db2.gz OJGCVFAKVLXLCT-OAHLLOKOSA-N 1 0 315.417 3.441 10 0 DGAERO CC[C@@H]([NH2+]Cc1ncc(-c2ccc(OC)cc2)o1)[C@H]1CCCO1 ZINC000182292341 323290973 /nfs/dbraw/zinc/29/09/73/323290973.db2.gz APDFVYLAGIJUMP-HZPDHXFCSA-N 1 0 316.401 3.397 10 0 DGAERO CC[C@H]([NH2+]Cc1ncc(-c2ccc(OC)cc2)o1)[C@H]1CCCO1 ZINC000182292325 323290980 /nfs/dbraw/zinc/29/09/80/323290980.db2.gz APDFVYLAGIJUMP-JKSUJKDBSA-N 1 0 316.401 3.397 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C)cc1)c1c(C)noc1C ZINC000182472614 323300697 /nfs/dbraw/zinc/30/06/97/323300697.db2.gz JZCFPVODTREJMP-WBVHZDCISA-N 1 0 318.417 3.080 10 0 DGAERO CCc1ccnc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000182584040 323305176 /nfs/dbraw/zinc/30/51/76/323305176.db2.gz BFGXMULYNZBQOF-UHFFFAOYSA-N 1 0 309.413 3.492 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@H]2c3ccccc3CCC2(C)C)no1 ZINC000183133836 323327082 /nfs/dbraw/zinc/32/70/82/323327082.db2.gz KEHQNZOTSUGRRL-KRWDZBQOSA-N 1 0 313.401 3.225 10 0 DGAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000183201796 323329110 /nfs/dbraw/zinc/32/91/10/323329110.db2.gz HVSQULLOLJSQLB-NVXWUHKLSA-N 1 0 305.462 3.466 10 0 DGAERO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000183249736 323331811 /nfs/dbraw/zinc/33/18/11/323331811.db2.gz HGIUTBRVPFSEOC-PBHICJAKSA-N 1 0 311.491 3.353 10 0 DGAERO CC[N@H+](CC(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1)C1CC1 ZINC000183788272 323348319 /nfs/dbraw/zinc/34/83/19/323348319.db2.gz BWRYLZHTILPCJT-MRXNPFEDSA-N 1 0 300.446 3.104 10 0 DGAERO C[C@@H]([NH2+]CCCn1ccnn1)[C@@H](C)c1nc2ccccc2s1 ZINC000184265895 323360321 /nfs/dbraw/zinc/36/03/21/323360321.db2.gz BBSGQDBKOLNDEF-CHWSQXEVSA-N 1 0 315.446 3.060 10 0 DGAERO CC(C)[C@H](CSc1ccccc1)[NH2+]CCCn1ccnn1 ZINC000184272507 323360802 /nfs/dbraw/zinc/36/08/02/323360802.db2.gz JTNKYKFVPYLSHV-INIZCTEOSA-N 1 0 304.463 3.075 10 0 DGAERO CC[C@@H]([NH2+]CCOc1ccccc1C(=O)OC)c1nccs1 ZINC000185094027 323381702 /nfs/dbraw/zinc/38/17/02/323381702.db2.gz IUYIFRDTOUMIRD-CYBMUJFWSA-N 1 0 320.414 3.049 10 0 DGAERO Cc1cc(C)n2c(C[NH2+][C@@H]3CCCO[C@H]3CC(C)C)cnc2n1 ZINC000185194054 323383878 /nfs/dbraw/zinc/38/38/78/323383878.db2.gz RPAYABLMGOMNJR-SJORKVTESA-N 1 0 316.449 3.029 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000188094355 323422542 /nfs/dbraw/zinc/42/25/42/323422542.db2.gz AOORQMJBOGTKRN-RYUDHWBXSA-N 1 0 316.239 3.089 10 0 DGAERO COC[C@H](C)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188174104 323424136 /nfs/dbraw/zinc/42/41/36/323424136.db2.gz BWKXTYPIHNPDON-HFBAOOFYSA-N 1 0 314.832 3.096 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000193350859 323463849 /nfs/dbraw/zinc/46/38/49/323463849.db2.gz IUIGOPAGQOPMOO-KRWDZBQOSA-N 1 0 304.434 3.041 10 0 DGAERO COc1cc(C[NH2+][C@H](C)Cc2c(C)nn(C)c2C)ccc1C ZINC000194339555 323474805 /nfs/dbraw/zinc/47/48/05/323474805.db2.gz FRMQTGCTDLQSGZ-CYBMUJFWSA-N 1 0 301.434 3.075 10 0 DGAERO COc1cccc2c1CCC[C@H]2[NH2+]CCc1c(C)nn(C)c1C ZINC000194840641 323481880 /nfs/dbraw/zinc/48/18/80/323481880.db2.gz JYLFRLRNLYUAJM-GOSISDBHSA-N 1 0 313.445 3.255 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000195442719 323490337 /nfs/dbraw/zinc/49/03/37/323490337.db2.gz PJSDYUWAMWJUCZ-CYBMUJFWSA-N 1 0 302.418 3.207 10 0 DGAERO c1ccc(C[NH+]2CCC(Nc3ccnc4cccnc43)CC2)cc1 ZINC000383252216 323625510 /nfs/dbraw/zinc/62/55/10/323625510.db2.gz RHEXSGJIRNNYQL-UHFFFAOYSA-N 1 0 318.424 3.128 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@H](C)O1 ZINC000384659953 323628915 /nfs/dbraw/zinc/62/89/15/323628915.db2.gz VUVHAUTVRXBHSY-ZDMBXUJBSA-N 1 0 302.187 3.244 10 0 DGAERO [NH3+][C@@H]1C[C@H](NCc2ccn(Cc3ccccc3)n2)c2ccccc21 ZINC000389957572 323664310 /nfs/dbraw/zinc/66/43/10/323664310.db2.gz XSTHEZXCLMFRGC-UXHICEINSA-N 1 0 318.424 3.166 10 0 DGAERO c1ccc(N2CCC([NH2+]CC3Cc4ccccc4C3)CC2)nc1 ZINC000580019687 323946416 /nfs/dbraw/zinc/94/64/16/323946416.db2.gz MQCLODBAHJLKTN-UHFFFAOYSA-N 1 0 307.441 3.055 10 0 DGAERO c1cnc(Oc2ccc(C[NH2+]CCOCC3CCC3)cc2)cn1 ZINC000580386522 323990830 /nfs/dbraw/zinc/99/08/30/323990830.db2.gz DGCKUNQKAKYVLU-UHFFFAOYSA-N 1 0 313.401 3.175 10 0 DGAERO C[C@@H](C1CC1)n1nccc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000582599223 324251428 /nfs/dbraw/zinc/25/14/28/324251428.db2.gz PRUYENPLBHLFIU-AWEZNQCLSA-N 1 0 318.465 3.305 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000582883850 324287246 /nfs/dbraw/zinc/28/72/46/324287246.db2.gz ZVZKXGSKXPWAHH-KOMQPUFPSA-N 1 0 323.868 3.179 10 0 DGAERO c1cnc2ccc(C[N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)cc2c1 ZINC000583619386 324375592 /nfs/dbraw/zinc/37/55/92/324375592.db2.gz RJROTFWNWBAHJI-INIZCTEOSA-N 1 0 320.396 3.485 10 0 DGAERO COCCCOc1cc(C[C@H]([NH3+])C(C)C)cc(Cl)c1F ZINC000584595020 337373999 /nfs/dbraw/zinc/37/39/99/337373999.db2.gz SIDLTFWURRXMHN-ZDUSSCGKSA-N 1 0 303.805 3.420 10 0 DGAERO O[C@H](c1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584596007 337374019 /nfs/dbraw/zinc/37/40/19/337374019.db2.gz IDLIPEVHTHEYBR-BRWVUGGUSA-N 1 0 309.837 3.264 10 0 DGAERO O[C@H](c1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584596015 337374095 /nfs/dbraw/zinc/37/40/95/337374095.db2.gz IDLIPEVHTHEYBR-GVDBMIGSSA-N 1 0 309.837 3.264 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCC(=O)N(C)C ZINC000342023388 500571131 /nfs/dbraw/zinc/57/11/31/500571131.db2.gz LHNLEYHBVRPIKC-FMIVXFBMSA-N 1 0 314.351 3.177 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000161777453 500612375 /nfs/dbraw/zinc/61/23/75/500612375.db2.gz FSSYUQPFMVYQAY-YUELXQCFSA-N 1 0 324.415 3.161 10 0 DGAERO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(Br)c1 ZINC000443332056 533859889 /nfs/dbraw/zinc/85/98/89/533859889.db2.gz GMJBBDSAAYGEKC-LALPHHSUSA-N 1 0 312.251 3.430 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000159304910 534060838 /nfs/dbraw/zinc/06/08/38/534060838.db2.gz GVNVTFVWPMSVEQ-ZFWWWQNUSA-N 1 0 312.251 3.398 10 0 DGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC23CCC3)C1 ZINC000435612317 534107145 /nfs/dbraw/zinc/10/71/45/534107145.db2.gz FOGHRQTZFZHOIH-DOTOQJQBSA-N 1 0 313.445 3.160 10 0 DGAERO Cc1cc(CCCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(C)s1 ZINC000177189876 534154449 /nfs/dbraw/zinc/15/44/49/534154449.db2.gz VUWZDIRAODIESD-KRWDZBQOSA-N 1 0 320.502 3.384 10 0 DGAERO Cc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c(F)c1 ZINC000158235522 534183642 /nfs/dbraw/zinc/18/36/42/534183642.db2.gz DUBYAYAFCURJHK-UHFFFAOYSA-N 1 0 307.413 3.376 10 0 DGAERO CC(C)c1cc(NCC2CC[NH2+]CC2)nc(-c2ccncc2)n1 ZINC000070456018 519833479 /nfs/dbraw/zinc/83/34/79/519833479.db2.gz RSNBRVUJIWVHQH-UHFFFAOYSA-N 1 0 311.433 3.074 10 0 DGAERO CC(C)c1cc(NCC2CC[NH2+]CC2)nc(-c2cccnc2)n1 ZINC000070456029 519833497 /nfs/dbraw/zinc/83/34/97/519833497.db2.gz UHFXFYGCOHOOQJ-UHFFFAOYSA-N 1 0 311.433 3.074 10 0 DGAERO CCOC(=O)CCCC[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157776021 520635543 /nfs/dbraw/zinc/63/55/43/520635543.db2.gz GANBRJDFHCIMGF-ZDUSSCGKSA-N 1 0 309.454 3.331 10 0 DGAERO Cc1ccc2[nH+]ccc(N3CCN(Cc4ccncc4)CC3)c2c1 ZINC000302144341 534520824 /nfs/dbraw/zinc/52/08/24/534520824.db2.gz GUCZPWCGGLSUFG-UHFFFAOYSA-N 1 0 318.424 3.260 10 0 DGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157517499 521342055 /nfs/dbraw/zinc/34/20/55/521342055.db2.gz FVNOVKMCJAIRKB-JSGCOSHPSA-N 1 0 322.497 3.290 10 0 DGAERO Cc1nc2c(c(N3CCC([N@H+]4CCC[C@@H]4C)CC3)n1)CCCC2 ZINC000302087297 534621484 /nfs/dbraw/zinc/62/14/84/534621484.db2.gz KVLVMJWITGMNTJ-AWEZNQCLSA-N 1 0 314.477 3.117 10 0 DGAERO CCc1nc2c(s1)[C@H]([NH2+]Cc1cccnc1N(C)C)CCC2 ZINC000154765040 522481436 /nfs/dbraw/zinc/48/14/36/522481436.db2.gz LTBPINLCSGUWDX-CYBMUJFWSA-N 1 0 316.474 3.334 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccs1 ZINC000089732126 522750438 /nfs/dbraw/zinc/75/04/38/522750438.db2.gz IWQMXEGDTGGERG-KBPBESRZSA-N 1 0 302.447 3.248 10 0 DGAERO COc1ccc(-c2nc(N)sc2C[NH+]2CCCCC2)cc1 ZINC000026442909 523218867 /nfs/dbraw/zinc/21/88/67/523218867.db2.gz WCZAUFVSSWRBBH-UHFFFAOYSA-N 1 0 303.431 3.387 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000157700852 523902528 /nfs/dbraw/zinc/90/25/28/523902528.db2.gz DRLBNFNXPJYUDH-QCPWZWHMSA-N 1 0 302.418 3.253 10 0 DGAERO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181300480 523973165 /nfs/dbraw/zinc/97/31/65/523973165.db2.gz AEKTZBXPSWRODR-LSDHHAIUSA-N 1 0 311.429 3.314 10 0 DGAERO CC[C@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000156079936 524002688 /nfs/dbraw/zinc/00/26/88/524002688.db2.gz INDQMKWUSCPKJC-NSHDSACASA-N 1 0 301.356 3.457 10 0 DGAERO C[C@H]1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000159320133 524093515 /nfs/dbraw/zinc/09/35/15/524093515.db2.gz ICHAKGHSRSKVQN-IINYFYTJSA-N 1 0 304.331 3.404 10 0 DGAERO COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000158119446 524809650 /nfs/dbraw/zinc/80/96/50/524809650.db2.gz PHHKGEHNJJVASW-QGZVFWFLSA-N 1 0 310.397 3.131 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCOC2CCCC2)cc1NC(C)=O ZINC000163274318 525149227 /nfs/dbraw/zinc/14/92/27/525149227.db2.gz HVRWZFPETVVVKT-CYBMUJFWSA-N 1 0 320.433 3.263 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(F)cc1N(C)C ZINC000154789376 525468626 /nfs/dbraw/zinc/46/86/26/525468626.db2.gz YOQJPCJGONNCTG-ZDUSSCGKSA-N 1 0 316.424 3.204 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccncc1 ZINC000156765688 525571135 /nfs/dbraw/zinc/57/11/35/525571135.db2.gz HJJJZHIEBRITBP-GXTWGEPZSA-N 1 0 302.809 3.060 10 0 DGAERO Cc1cc(-c2csc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)n2)c(C)o1 ZINC000237881526 526048821 /nfs/dbraw/zinc/04/88/21/526048821.db2.gz IXUXLTYYLICMNZ-RYUDHWBXSA-N 1 0 319.430 3.476 10 0 DGAERO CCCC1(CNC(=O)NCCC2CC[NH+](CC)CC2)CCC1 ZINC000467984798 534910926 /nfs/dbraw/zinc/91/09/26/534910926.db2.gz PGUQISWLBBSKFB-UHFFFAOYSA-N 1 0 309.498 3.378 10 0 DGAERO c1ccc(-c2nc(N3CCCC[C@H]([NH+]4CCCC4)C3)no2)cc1 ZINC000157484250 526454152 /nfs/dbraw/zinc/45/41/52/526454152.db2.gz UVYCPGZKGUMMSU-INIZCTEOSA-N 1 0 312.417 3.191 10 0 DGAERO c1ccc(CCN2CC[C@H]([NH2+]C[C@@H]3CCCCS3)C2)cc1 ZINC000156406428 526465212 /nfs/dbraw/zinc/46/52/12/526465212.db2.gz XONUEFZCTHDATL-ROUUACIJSA-N 1 0 304.503 3.179 10 0 DGAERO Brc1ccc(C[C@@H]2CC[N@@H+]([C@@H]3CCOC3)C2)cc1 ZINC000292587024 526643139 /nfs/dbraw/zinc/64/31/39/526643139.db2.gz DVSBAROOUMVLCG-DZGCQCFKSA-N 1 0 310.235 3.102 10 0 DGAERO C[N@H+](Cc1cccc2ccoc21)C1CCN(c2cnccn2)CC1 ZINC000449294168 536477936 /nfs/dbraw/zinc/47/79/36/536477936.db2.gz XVNQELBLTQFAAV-UHFFFAOYSA-N 1 0 322.412 3.324 10 0 DGAERO O=C(Nc1cc(Cl)ccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000154829476 527112182 /nfs/dbraw/zinc/11/21/82/527112182.db2.gz DFZANQGDYQOTSP-LBPRGKRZSA-N 1 0 311.788 3.181 10 0 DGAERO [NH3+]CCCC(=O)NC(CCc1ccccc1)CCc1ccccc1 ZINC000237909650 527170433 /nfs/dbraw/zinc/17/04/33/527170433.db2.gz DOCHYBHIZBVKEH-UHFFFAOYSA-N 1 0 324.468 3.476 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1Cl ZINC000415437173 527302846 /nfs/dbraw/zinc/30/28/46/527302846.db2.gz AGNIYRVZDXUAIA-ZUZCIYMTSA-N 1 0 323.824 3.134 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1Cl ZINC000415447409 527308726 /nfs/dbraw/zinc/30/87/26/527308726.db2.gz KVPMAOMUYUMVMW-OAHLLOKOSA-N 1 0 323.824 3.182 10 0 DGAERO C(c1nc(C2CCCC2)no1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000154059923 527496122 /nfs/dbraw/zinc/49/61/22/527496122.db2.gz WVLHBGKMCKTURP-MRXNPFEDSA-N 1 0 318.465 3.178 10 0 DGAERO C(c1noc([C@H]2CCC[N@@H+]2C2CCOCC2)n1)C1CCCC1 ZINC000328854107 527496903 /nfs/dbraw/zinc/49/69/03/527496903.db2.gz WIVFDTHQJNWLEH-OAHLLOKOSA-N 1 0 305.422 3.118 10 0 DGAERO C(c1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1)C1CCCC1 ZINC000328854106 527497252 /nfs/dbraw/zinc/49/72/52/527497252.db2.gz WIVFDTHQJNWLEH-HNNXBMFYSA-N 1 0 305.422 3.118 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1(N2CCOCC2)CC1 ZINC000434788544 527524702 /nfs/dbraw/zinc/52/47/02/527524702.db2.gz VAVQZABFMZSCHR-NTCAYCPXSA-N 1 0 320.864 3.198 10 0 DGAERO OCCC1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000157474777 527533627 /nfs/dbraw/zinc/53/36/27/527533627.db2.gz YBDFISSWZDXTNJ-OAHLLOKOSA-N 1 0 324.262 3.059 10 0 DGAERO O=C(NCCCC1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154503402 527639734 /nfs/dbraw/zinc/63/97/34/527639734.db2.gz UXLITAHBHYGGDK-SFHVURJKSA-N 1 0 322.493 3.107 10 0 DGAERO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCC23CCC3)CC1 ZINC000445123221 527723322 /nfs/dbraw/zinc/72/33/22/527723322.db2.gz ZMSZJVOEWWEFRI-UHFFFAOYSA-N 1 0 321.509 3.473 10 0 DGAERO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCCC23CCC3)c1C ZINC000444777824 528119570 /nfs/dbraw/zinc/11/95/70/528119570.db2.gz GVOYLJQMRSGWBW-UHFFFAOYSA-N 1 0 318.417 3.009 10 0 DGAERO CC1=C[C@H](C)C[C@@H](C[NH2+]CCn2cc(Br)cn2)C1 ZINC000310960250 528142769 /nfs/dbraw/zinc/14/27/69/528142769.db2.gz BQJYMHIOIYDYGA-WCQYABFASA-N 1 0 312.255 3.228 10 0 DGAERO CC[NH+](CC)CCSCCCc1nc(-c2ccncc2)no1 ZINC000176943667 528163453 /nfs/dbraw/zinc/16/34/53/528163453.db2.gz KDNHWXICVIACLI-UHFFFAOYSA-N 1 0 320.462 3.139 10 0 DGAERO CCCOc1c(Cl)cc(C[N@H+](C)CCCO)cc1OCC ZINC000442966135 528614145 /nfs/dbraw/zinc/61/41/45/528614145.db2.gz RPBQDTMAQLNBPB-UHFFFAOYSA-N 1 0 315.841 3.342 10 0 DGAERO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000443182196 528761956 /nfs/dbraw/zinc/76/19/56/528761956.db2.gz IOHZDPKUZBHQRI-AWEZNQCLSA-N 1 0 316.449 3.040 10 0 DGAERO CCCc1nnc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000302188223 528778107 /nfs/dbraw/zinc/77/81/07/528778107.db2.gz XDLXFKJYXULYIL-DZGCQCFKSA-N 1 0 316.474 3.423 10 0 DGAERO CCOC[C@H](C)[NH2+]Cc1cc(Br)c(OC)s1 ZINC000309524241 528975973 /nfs/dbraw/zinc/97/59/73/528975973.db2.gz AVVQVSFJGKNSRX-QMMMGPOBSA-N 1 0 308.241 3.034 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000174343491 529007206 /nfs/dbraw/zinc/00/72/06/529007206.db2.gz FQDBDWDTLYZZAK-WBMJQRKESA-N 1 0 310.388 3.059 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CSCc2ccccc2)C1 ZINC000161727046 529056772 /nfs/dbraw/zinc/05/67/72/529056772.db2.gz CLYVVESJMHAGNC-DOTOQJQBSA-N 1 0 320.502 3.156 10 0 DGAERO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)n1 ZINC000451417251 535126519 /nfs/dbraw/zinc/12/65/19/535126519.db2.gz KXTJYNNYMKOZLM-GBJTYRQASA-N 1 0 307.438 3.099 10 0 DGAERO CCO[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000449490552 535630999 /nfs/dbraw/zinc/63/09/99/535630999.db2.gz CHFQAGXGFINPJA-DYVFJYSZSA-N 1 0 300.402 3.187 10 0 DGAERO CCn1nncc1C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000459390128 535928023 /nfs/dbraw/zinc/92/80/23/535928023.db2.gz RZLAMTPONCHEFY-CQSZACIVSA-N 1 0 302.422 3.184 10 0 DGAERO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)CC2 ZINC000477856910 536992252 /nfs/dbraw/zinc/99/22/52/536992252.db2.gz FNKYGIYNVKRMGB-UYAOXDASSA-N 1 0 317.473 3.473 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000089459926 545814791 /nfs/dbraw/zinc/81/47/91/545814791.db2.gz HJXQFLUDFKNOOW-SCZZXKLOSA-N 1 0 318.751 3.255 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000089453933 545815084 /nfs/dbraw/zinc/81/50/84/545815084.db2.gz GCOCPXFCVUDAME-WCQYABFASA-N 1 0 310.825 3.441 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000091338337 545836249 /nfs/dbraw/zinc/83/62/49/545836249.db2.gz YYUMMXRRPZUZRH-KBPBESRZSA-N 1 0 312.251 3.433 10 0 DGAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000097067805 545864744 /nfs/dbraw/zinc/86/47/44/545864744.db2.gz IZJCOHNGKCHZBV-GXSJLCMTSA-N 1 0 308.179 3.094 10 0 DGAERO CCC(CC)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)on1 ZINC000119348290 545879168 /nfs/dbraw/zinc/87/91/68/545879168.db2.gz JMUBPNNBFTUXLY-AWEZNQCLSA-N 1 0 319.449 3.325 10 0 DGAERO CCCN(Cc1cncnc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000119519662 545880854 /nfs/dbraw/zinc/88/08/54/545880854.db2.gz HADCKYGARKNDJP-HXUWFJFHSA-N 1 0 324.472 3.353 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000123169282 545904632 /nfs/dbraw/zinc/90/46/32/545904632.db2.gz GWCATSCBYRFCNH-KCQAQPDRSA-N 1 0 319.424 3.120 10 0 DGAERO [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000135212832 545976866 /nfs/dbraw/zinc/97/68/66/545976866.db2.gz IELGKKVIJQGTEZ-CHWSQXEVSA-N 1 0 300.324 3.453 10 0 DGAERO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)C[C@H]2CCCO2)c(C)c1 ZINC000137029966 545982741 /nfs/dbraw/zinc/98/27/41/545982741.db2.gz GVOXZBZDYBQXFB-QGZVFWFLSA-N 1 0 318.461 3.441 10 0 DGAERO CCN(CC)[C@@H](C[NH2+][C@@H]1CCCOC1)c1ccccc1Cl ZINC000153614186 546010657 /nfs/dbraw/zinc/01/06/57/546010657.db2.gz XCCIVTKQVNKDEG-PBHICJAKSA-N 1 0 310.869 3.492 10 0 DGAERO Brc1ccccc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000177101426 546119829 /nfs/dbraw/zinc/11/98/29/546119829.db2.gz ZTKGLKGDDBLEJF-AWEZNQCLSA-N 1 0 320.234 3.310 10 0 DGAERO CC(C)([NH3+])CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000178452253 546129819 /nfs/dbraw/zinc/12/98/19/546129819.db2.gz LQUDHMHXFOLBKJ-UHFFFAOYSA-N 1 0 318.367 3.298 10 0 DGAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000179906060 546139051 /nfs/dbraw/zinc/13/90/51/546139051.db2.gz MAWMUGPTDDMDJM-QGZVFWFLSA-N 1 0 313.445 3.198 10 0 DGAERO CCOCCN1CC[N@H+](CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000180086667 546141579 /nfs/dbraw/zinc/14/15/79/546141579.db2.gz KNXZOFDTBRYHIV-KRWDZBQOSA-N 1 0 304.478 3.007 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C)CC2 ZINC000180630796 546147678 /nfs/dbraw/zinc/14/76/78/546147678.db2.gz VJLGQNOYUCTOEV-KLHDSHLOSA-N 1 0 304.482 3.206 10 0 DGAERO CC(C)COC1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000181662124 546159544 /nfs/dbraw/zinc/15/95/44/546159544.db2.gz BLOGMIBAOJXRQW-UHFFFAOYSA-N 1 0 322.468 3.395 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC1)CCCO2 ZINC000182385919 546164626 /nfs/dbraw/zinc/16/46/26/546164626.db2.gz VFAZGZVPEPPTFG-WCQYABFASA-N 1 0 312.207 3.041 10 0 DGAERO Oc1ccccc1N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000182950170 546169442 /nfs/dbraw/zinc/16/94/42/546169442.db2.gz KGNWRDPWMTVBHA-UHFFFAOYSA-N 1 0 319.408 3.263 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183192028 546172523 /nfs/dbraw/zinc/17/25/23/546172523.db2.gz NRSRTGDABZGFGT-HOTGVXAUSA-N 1 0 304.434 3.179 10 0 DGAERO CN(C)[C@@H](C[NH2+][C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1 ZINC000186569782 546195130 /nfs/dbraw/zinc/19/51/30/546195130.db2.gz FCPSXBCTRAZSPI-CABCVRRESA-N 1 0 316.367 3.077 10 0 DGAERO CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)s1 ZINC000188409948 546205420 /nfs/dbraw/zinc/20/54/20/546205420.db2.gz ZQPHXBVBPFMMKH-CYBMUJFWSA-N 1 0 304.463 3.302 10 0 DGAERO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccn1C ZINC000194948703 546251136 /nfs/dbraw/zinc/25/11/36/546251136.db2.gz RGCYNQRUMGHMDQ-UHFFFAOYSA-N 1 0 317.477 3.252 10 0 DGAERO Cc1ccc(C[NH2+]CC2CCC(O)CC2)cc1Br ZINC000227629173 546268743 /nfs/dbraw/zinc/26/87/43/546268743.db2.gz ZXBNPZMQGNPUSL-UHFFFAOYSA-N 1 0 312.251 3.398 10 0 DGAERO FC(F)(F)c1cc(Br)cnc1NCC[NH2+]C1CC1 ZINC000236131764 546279794 /nfs/dbraw/zinc/27/97/94/546279794.db2.gz SFPWFSXHSSXAPL-UHFFFAOYSA-N 1 0 324.144 3.027 10 0 DGAERO C[C@H](C(=O)NC[C@@H]1C[C@H]1c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000246707157 546305825 /nfs/dbraw/zinc/30/58/25/546305825.db2.gz WRABDDRWYNWEOR-QZHFEQFPSA-N 1 0 308.425 3.242 10 0 DGAERO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247959017 546313098 /nfs/dbraw/zinc/31/30/98/546313098.db2.gz FYTBDSALNADHEM-KXBFYZLASA-N 1 0 311.429 3.065 10 0 DGAERO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@@H](O)C1CCCCC1 ZINC000249043832 546323993 /nfs/dbraw/zinc/32/39/93/546323993.db2.gz HBOQUIIEMNHKJS-JPEVHGAISA-N 1 0 323.502 3.358 10 0 DGAERO Clc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCOC3)C2)c(Cl)c1 ZINC000249091868 546324604 /nfs/dbraw/zinc/32/46/04/546324604.db2.gz OBNZIOBHOHXRKD-OLZOCXBDSA-N 1 0 315.244 3.341 10 0 DGAERO COc1cccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1F ZINC000249210857 546325395 /nfs/dbraw/zinc/32/53/95/546325395.db2.gz CSMIDWWXOPGWEM-QFBILLFUSA-N 1 0 314.404 3.369 10 0 DGAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000251261201 546329443 /nfs/dbraw/zinc/32/94/43/546329443.db2.gz YVCUGLKBJVWPFK-KBXCAEBGSA-N 1 0 315.461 3.046 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261744069 546338478 /nfs/dbraw/zinc/33/84/78/546338478.db2.gz IOFWNVWSVPNSNJ-GRGSLBFTSA-N 1 0 314.473 3.499 10 0 DGAERO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCCC2 ZINC000262481107 546340785 /nfs/dbraw/zinc/34/07/85/546340785.db2.gz JZOIFAVFVFHINK-KDOFPFPSSA-N 1 0 300.446 3.275 10 0 DGAERO C[C@@H]1C[C@H](C[NH2+]Cc2cscc2Br)CCO1 ZINC000285876247 546400194 /nfs/dbraw/zinc/40/01/94/546400194.db2.gz JGGPUHOEJLWTPQ-NXEZZACHSA-N 1 0 304.253 3.415 10 0 DGAERO C[C@@H]1C[C@@H](NCc2cscc2Br)CC[N@@H+]1C ZINC000304578264 546440861 /nfs/dbraw/zinc/44/08/61/546440861.db2.gz NRANEIGPAHVBPG-KOLCDFICSA-N 1 0 303.269 3.083 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000306024664 546448927 /nfs/dbraw/zinc/44/89/27/546448927.db2.gz MMTAHGXZNHOOBH-GZBFAFLISA-N 1 0 310.235 3.330 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000312278953 546453393 /nfs/dbraw/zinc/45/33/93/546453393.db2.gz SHIHYTSFIVHOGX-QMTHXVAHSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]([NH2+]CCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)s1 ZINC000313786121 546454086 /nfs/dbraw/zinc/45/40/86/546454086.db2.gz UBHANDWITKRCMS-IJLUTSLNSA-N 1 0 302.871 3.161 10 0 DGAERO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c(C)c1 ZINC000329642923 546489746 /nfs/dbraw/zinc/48/97/46/546489746.db2.gz AGJAIMSYDQIIJR-QAPCUYQASA-N 1 0 313.401 3.279 10 0 DGAERO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccccc3Cl)n1)OC2 ZINC000329685023 546490837 /nfs/dbraw/zinc/49/08/37/546490837.db2.gz UMMZYRUAXWINCM-CZUORRHYSA-N 1 0 319.792 3.316 10 0 DGAERO CC(C)[C@]1(C)C[C@@H]1c1nc([C@@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000350187994 546612649 /nfs/dbraw/zinc/61/26/49/546612649.db2.gz CRZYJBHJKUUCDL-WVZRYYJFSA-N 1 0 305.422 3.145 10 0 DGAERO CC(C)c1ccoc1-c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350390581 546616790 /nfs/dbraw/zinc/61/67/90/546616790.db2.gz MSSLDHVPSRNNEZ-DYVFJYSZSA-N 1 0 317.389 3.379 10 0 DGAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000381819637 546740489 /nfs/dbraw/zinc/74/04/89/546740489.db2.gz FAMPYLPUBABLFZ-BCDXTJNWSA-N 1 0 312.457 3.156 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000389773903 546751621 /nfs/dbraw/zinc/75/16/21/546751621.db2.gz AYMKNCUUWDJNAV-NJAFHUGGSA-N 1 0 304.503 3.382 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000408186007 546768758 /nfs/dbraw/zinc/76/87/58/546768758.db2.gz OUABDQKNQGDZJI-RHSMWYFYSA-N 1 0 324.428 3.382 10 0 DGAERO c1cnc(OC2CC[NH+](CCOC3CCCCCC3)CC2)cn1 ZINC000488730497 546923700 /nfs/dbraw/zinc/92/37/00/546923700.db2.gz ZZQWCGFXKGDACR-UHFFFAOYSA-N 1 0 319.449 3.059 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667819317 547312150 /nfs/dbraw/zinc/31/21/50/547312150.db2.gz TWXAYXNUYMSXGY-ZCNNSNEGSA-N 1 0 314.473 3.198 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667819316 547312330 /nfs/dbraw/zinc/31/23/30/547312330.db2.gz TWXAYXNUYMSXGY-XUVXKRRUSA-N 1 0 314.473 3.198 10 0 DGAERO Cc1ccc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1F ZINC000675055497 548148991 /nfs/dbraw/zinc/14/89/91/548148991.db2.gz UIMLFWCCNBZNGE-DZGCQCFKSA-N 1 0 308.397 3.452 10 0 DGAERO Cc1cc(Br)ccc1-n1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000725263152 549812007 /nfs/dbraw/zinc/81/20/07/549812007.db2.gz RQBXQOQEUCBDSV-GFCCVEGCSA-N 1 0 321.222 3.153 10 0 DGAERO COc1ccc2c(c1)-c1cc(OC)c(OC)cc1CC[NH2+]CC2 ZINC000000898684 560179216 /nfs/dbraw/zinc/17/92/16/560179216.db2.gz QTERLNHMRBRQSX-UHFFFAOYSA-N 1 0 313.397 3.068 10 0 in-vitro DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000382643624 574527924 /nfs/dbraw/zinc/52/79/24/574527924.db2.gz HHLSVEJNZRUIRP-OQIJWPOYSA-N 1 0 312.457 3.156 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000724112415 563496372 /nfs/dbraw/zinc/49/63/72/563496372.db2.gz TYHZIHORGPMALQ-SJKOYZFVSA-N 1 0 322.474 3.414 10 0 DGAERO CCCCCCOCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000730741674 574535190 /nfs/dbraw/zinc/53/51/90/574535190.db2.gz RIRJDZMXTZIXBL-GOSISDBHSA-N 1 0 318.461 3.099 10 0 DGAERO CCCCCCOCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000730772445 574535720 /nfs/dbraw/zinc/53/57/20/574535720.db2.gz NNLVNXRMRMPFDC-INIZCTEOSA-N 1 0 312.498 3.210 10 0 DGAERO CCCCCCOCC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000730774299 574535905 /nfs/dbraw/zinc/53/59/05/574535905.db2.gz ZSBWRMGPAPORGX-BZSNNMDCSA-N 1 0 324.509 3.447 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2COC[C@H]2C2CC2)ccc1Br ZINC000725269633 563575113 /nfs/dbraw/zinc/57/51/13/563575113.db2.gz OVBCPNLTSVESKA-DZGCQCFKSA-N 1 0 310.235 3.272 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)C1 ZINC000730935257 574539332 /nfs/dbraw/zinc/53/93/32/574539332.db2.gz AJTJLUJPOVRAMZ-CQSZACIVSA-N 1 0 313.445 3.363 10 0 DGAERO C[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000731838226 574560116 /nfs/dbraw/zinc/56/01/16/574560116.db2.gz VZSPZHOWSSPVCT-ZNMIVQPWSA-N 1 0 315.461 3.269 10 0 DGAERO C/C(=C/C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1cccc(F)c1 ZINC000732058960 574565806 /nfs/dbraw/zinc/56/58/06/574565806.db2.gz YVWXSTOHTVIQBN-ZSMUJPCHSA-N 1 0 304.409 3.220 10 0 DGAERO CC[C@@H](C)C[N@H+](C)CN1C(=O)NC2(CCC(C(C)C)CC2)C1=O ZINC000732184591 574567260 /nfs/dbraw/zinc/56/72/60/574567260.db2.gz ZMQHGFXIDXOXFS-KSTDHSDQSA-N 1 0 323.481 3.059 10 0 DGAERO CC[C@H](NC(=S)NC[C@H]1CC[N@H+](CC)C1)c1cccs1 ZINC000734375676 574658222 /nfs/dbraw/zinc/65/82/22/574658222.db2.gz UPCFEMVWENXIGE-OLZOCXBDSA-N 1 0 311.520 3.005 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)[NH2+]CCc1occc12 ZINC000704084236 568414246 /nfs/dbraw/zinc/41/42/46/568414246.db2.gz CSFDHCHOZSUXNH-KRWDZBQOSA-N 1 0 306.406 3.042 10 0 DGAERO C/C(=C/C(=O)NC[C@@H](C)[NH+](C)C)c1ccccc1C(F)(F)F ZINC000742043840 574980094 /nfs/dbraw/zinc/98/00/94/574980094.db2.gz BAYNVFFCNZMORM-UCQJPZFISA-N 1 0 314.351 3.175 10 0 DGAERO COC(=O)c1ccc2c(cnn2C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1 ZINC000742154274 574982671 /nfs/dbraw/zinc/98/26/71/574982671.db2.gz GZQXVMPIIKUVCT-ZIAGYGMSSA-N 1 0 315.417 3.291 10 0 DGAERO c1cn(-c2cc(C[NH2+]Cc3cccc4cccnc43)ccn2)cn1 ZINC000742697196 575013158 /nfs/dbraw/zinc/01/31/58/575013158.db2.gz STNRSTILJRVNKU-UHFFFAOYSA-N 1 0 315.380 3.105 10 0 DGAERO Cc1ccc([C@H]2C[C@H](C)CCN2C(=S)NCCC[NH+](C)C)o1 ZINC000743040034 575032330 /nfs/dbraw/zinc/03/23/30/575032330.db2.gz VXMBTYKDZNGRRL-UKRRQHHQSA-N 1 0 323.506 3.187 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=S)NCCC[NH+](C)C)o1 ZINC000743040032 575032386 /nfs/dbraw/zinc/03/23/86/575032386.db2.gz VXMBTYKDZNGRRL-HIFRSBDPSA-N 1 0 323.506 3.187 10 0 DGAERO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=S)NCC[NH+](C)C)o1 ZINC000743040461 575032512 /nfs/dbraw/zinc/03/25/12/575032512.db2.gz YDGKEAWCNFSFQQ-ZFWWWQNUSA-N 1 0 323.506 3.051 10 0 DGAERO C/C(=C/C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)c1cccc(F)c1 ZINC000737742048 575900401 /nfs/dbraw/zinc/90/04/01/575900401.db2.gz CZSGEYMBZUDURW-QXSWTLKVSA-N 1 0 304.409 3.028 10 0 DGAERO c1cn(-c2ncccc2C[NH2+]Cc2cccc3cc[nH]c32)cn1 ZINC000727466376 576126697 /nfs/dbraw/zinc/12/66/97/576126697.db2.gz MEBKOFLDPUJJPL-UHFFFAOYSA-N 1 0 303.369 3.038 10 0 DGAERO CC[C@H](C)NC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728446548 576183220 /nfs/dbraw/zinc/18/32/20/576183220.db2.gz UQNOPASTPKRYIB-HOTGVXAUSA-N 1 0 311.539 3.247 10 0 DGAERO COc1ccccc1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053516 576215022 /nfs/dbraw/zinc/21/50/22/576215022.db2.gz IKYPRTLGACFVLA-JSGCOSHPSA-N 1 0 306.406 3.013 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@H]2CSCCS2)ccc1F ZINC000154182652 620645860 /nfs/dbraw/zinc/64/58/60/620645860.db2.gz FUEBVSOGOZZFLK-PWSUYJOCSA-N 1 0 301.452 3.334 10 0 DGAERO Cc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2ccccc2)c1O ZINC000154781299 620718604 /nfs/dbraw/zinc/71/86/04/620718604.db2.gz KNJKHLHKXLWYFS-MRXNPFEDSA-N 1 0 305.805 3.047 10 0 DGAERO COc1ccccc1/C=C/C[NH2+]C[C@](C)(O)c1cccs1 ZINC000153008750 620530744 /nfs/dbraw/zinc/53/07/44/620530744.db2.gz OJHCGLWPHVONOX-JZLODUJNSA-N 1 0 303.427 3.267 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)ccc1F ZINC000153846731 620617234 /nfs/dbraw/zinc/61/72/34/620617234.db2.gz IUCFQMDJKARHSJ-GIPWTMENSA-N 1 0 301.427 3.032 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)ccc1F ZINC000153846955 620617252 /nfs/dbraw/zinc/61/72/52/620617252.db2.gz IUCFQMDJKARHSJ-BIBXISHDSA-N 1 0 301.427 3.032 10 0 DGAERO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000114989931 621071322 /nfs/dbraw/zinc/07/13/22/621071322.db2.gz IBTPGPIBUGMPET-QGZVFWFLSA-N 1 0 310.397 3.151 10 0 DGAERO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000383516953 621201340 /nfs/dbraw/zinc/20/13/40/621201340.db2.gz HQDZYXJYZSUIKV-SLFFLAALSA-N 1 0 320.436 3.327 10 0 DGAERO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000103336544 621342291 /nfs/dbraw/zinc/34/22/91/621342291.db2.gz DIICXDVZEOQERZ-UHFFFAOYSA-N 1 0 316.426 3.212 10 0 DGAERO C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1Cl ZINC000123566579 622596370 /nfs/dbraw/zinc/59/63/70/622596370.db2.gz RNAVNTTUJRGXCZ-AMIZOPFISA-N 1 0 301.217 3.298 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000126742200 624063774 /nfs/dbraw/zinc/06/37/74/624063774.db2.gz LGGVVWMIWJSLGS-GXSJLCMTSA-N 1 0 322.257 3.221 10 0 DGAERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128468872 624968018 /nfs/dbraw/zinc/96/80/18/624968018.db2.gz CFGOMNJRLHLLAR-GFCCVEGCSA-N 1 0 318.804 3.273 10 0 DGAERO CC1(C)SC(=O)N(CN2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000132618483 626729624 /nfs/dbraw/zinc/72/96/24/626729624.db2.gz NXXHQOIXXRKYLB-INIZCTEOSA-N 1 0 308.447 3.240 10 0 DGAERO CCC1CCC([NH3+])(c2noc(CCC(=O)OC(C)(C)C)n2)CC1 ZINC000757183905 626753420 /nfs/dbraw/zinc/75/34/20/626753420.db2.gz SPVWKOGJHJFRSZ-UHFFFAOYSA-N 1 0 323.437 3.098 10 0 DGAERO Cc1ncsc1COC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000133012148 626759004 /nfs/dbraw/zinc/75/90/04/626759004.db2.gz OXGRJEKMQSQVFI-HNNXBMFYSA-N 1 0 316.426 3.159 10 0 DGAERO CSCC[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000133598075 626818862 /nfs/dbraw/zinc/81/88/62/626818862.db2.gz MZEAQGMGHSNYEE-UHFFFAOYSA-N 1 0 322.474 3.437 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cccc(F)n2)cc1 ZINC000134000569 626849430 /nfs/dbraw/zinc/84/94/30/626849430.db2.gz DGUUMEWDWVHTQW-LBPRGKRZSA-N 1 0 324.359 3.206 10 0 DGAERO C[C@H]1C[C@H](NC(=O)CSC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000134896501 626891548 /nfs/dbraw/zinc/89/15/48/626891548.db2.gz HWJOIOHVQZKOOE-HOCLYGCPSA-N 1 0 320.502 3.297 10 0 DGAERO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc4c[nH]nc4c3)[C@H]2C)o1 ZINC000886078433 627100027 /nfs/dbraw/zinc/10/00/27/627100027.db2.gz YYBKPTWUCMQSGG-NHYWBVRUSA-N 1 0 311.389 3.022 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(Cl)nc1Cl ZINC000300285232 627263822 /nfs/dbraw/zinc/26/38/22/627263822.db2.gz ROOUORMCXQCQBM-YPMHNXCESA-N 1 0 314.260 3.447 10 0 DGAERO C[C@@H]1SCC[C@H]1[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300333626 627264537 /nfs/dbraw/zinc/26/45/37/627264537.db2.gz PXKFNZPVJMFWET-BFHYXJOUSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)OC(C)(C)C ZINC000224061566 627324007 /nfs/dbraw/zinc/32/40/07/627324007.db2.gz RGWFJQWPMQDAIM-LLVKDONJSA-N 1 0 314.376 3.358 10 0 DGAERO Cc1ccc2c(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c[nH]c2c1 ZINC000101859963 629816970 /nfs/dbraw/zinc/81/69/70/629816970.db2.gz ISLYPMJODMMCOQ-MRXNPFEDSA-N 1 0 315.461 3.111 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)o1 ZINC000105433656 630710040 /nfs/dbraw/zinc/71/00/40/630710040.db2.gz PXFVQEHUIBHBOS-OCCSQVGLSA-N 1 0 308.422 3.407 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(Cl)s1 ZINC000105433637 630710116 /nfs/dbraw/zinc/71/01/16/630710116.db2.gz PBFZRHGQXPVOJM-UHFFFAOYSA-N 1 0 304.843 3.406 10 0 DGAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000109518479 632213317 /nfs/dbraw/zinc/21/33/17/632213317.db2.gz YCRWBLHOWJVCHR-LBPRGKRZSA-N 1 0 314.216 3.493 10 0 DGAERO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000184988044 660197207 /nfs/dbraw/zinc/19/72/07/660197207.db2.gz JZYUCAXDWXJCAL-GUYCJALGSA-N 1 0 309.417 3.203 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000184940022 660196220 /nfs/dbraw/zinc/19/62/20/660196220.db2.gz RQDPJGQJOPIIII-SNVBAGLBSA-N 1 0 307.825 3.289 10 0 DGAERO CCSCC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000185297270 660213779 /nfs/dbraw/zinc/21/37/79/660213779.db2.gz FMORIPXMTNKMJI-CHWSQXEVSA-N 1 0 302.484 3.023 10 0 DGAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000072897134 660226957 /nfs/dbraw/zinc/22/69/57/660226957.db2.gz RSXADFLHXWGZHU-HZPDHXFCSA-N 1 0 315.461 3.346 10 0 DGAERO c1nn(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1-c1ccccc1 ZINC000083118644 660255273 /nfs/dbraw/zinc/25/52/73/660255273.db2.gz YYWUDLHNLUZBCD-LJQANCHMSA-N 1 0 311.429 3.400 10 0 DGAERO Cc1noc(C)c1CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000084734406 660355115 /nfs/dbraw/zinc/35/51/15/660355115.db2.gz QXHZCWNPDAYVKA-UHFFFAOYSA-N 1 0 312.417 3.140 10 0 DGAERO CC[NH+]1CCC(n2nccc2NC(=O)CSC(C)(C)C)CC1 ZINC000073543773 660372646 /nfs/dbraw/zinc/37/26/46/660372646.db2.gz IKHZRXSFULLKJP-UHFFFAOYSA-N 1 0 324.494 3.010 10 0 DGAERO C[N@H+](CCOCC1CC1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091677499 660450110 /nfs/dbraw/zinc/45/01/10/660450110.db2.gz VIIQGIFTRAHTJH-MRXNPFEDSA-N 1 0 322.836 3.191 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(C(F)(F)F)s1 ZINC000717989494 662213252 /nfs/dbraw/zinc/21/32/52/662213252.db2.gz LZDKDHUIGBYEKK-RKDXNWHRSA-N 1 0 306.353 3.038 10 0 DGAERO Cc1nc(C[NH2+]C[C@]2(C)CC2(F)F)sc1Br ZINC000719257351 662272159 /nfs/dbraw/zinc/27/21/59/662272159.db2.gz AYZQTKMJDRQCLA-VIFPVBQESA-N 1 0 311.195 3.349 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1sccc1Br ZINC000719650437 662295317 /nfs/dbraw/zinc/29/53/17/662295317.db2.gz XNEQUIIVJCIOJO-IQJOONFLSA-N 1 0 303.269 3.254 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccncc1 ZINC000700730992 660633868 /nfs/dbraw/zinc/63/38/68/660633868.db2.gz VZZIMFPXNATDPN-KCQAQPDRSA-N 1 0 305.422 3.130 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000700784547 660634912 /nfs/dbraw/zinc/63/49/12/660634912.db2.gz RDPBCBHTKPXMJA-DZGCQCFKSA-N 1 0 323.412 3.004 10 0 DGAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000700990551 660647503 /nfs/dbraw/zinc/64/75/03/660647503.db2.gz STVPXXAUQPUING-MNOVXSKESA-N 1 0 320.177 3.384 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000701935639 660693165 /nfs/dbraw/zinc/69/31/65/660693165.db2.gz PFQRTZXDYCGQCX-OLZOCXBDSA-N 1 0 318.408 3.411 10 0 DGAERO Cc1csc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC000701955927 660694174 /nfs/dbraw/zinc/69/41/74/660694174.db2.gz WJQMAQVXDZOSMY-NEPJUHHUSA-N 1 0 313.467 3.358 10 0 DGAERO C[C@H]1[C@@H]([NH2+]CCC2SCCS2)CCN1Cc1ccccc1 ZINC000703346279 660777398 /nfs/dbraw/zinc/77/73/98/660777398.db2.gz DKFTVZXMQQHYOD-HOCLYGCPSA-N 1 0 322.543 3.435 10 0 DGAERO CC1(O)CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000703538119 660782073 /nfs/dbraw/zinc/78/20/73/660782073.db2.gz ZFUXSXGMNHZOCW-UHFFFAOYSA-N 1 0 316.214 3.371 10 0 DGAERO COC1CC(C[NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000703854498 660794279 /nfs/dbraw/zinc/79/42/79/660794279.db2.gz OHWWISCOKGVLSK-CTWPCTMYSA-N 1 0 304.478 3.158 10 0 DGAERO c1sc(-c2ccccn2)nc1C[NH2+]CC[C@H]1CCSC1 ZINC000704812836 660820630 /nfs/dbraw/zinc/82/06/30/660820630.db2.gz CWNNQZYLLPZGPG-LBPRGKRZSA-N 1 0 305.472 3.438 10 0 DGAERO Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000705530881 660837848 /nfs/dbraw/zinc/83/78/48/660837848.db2.gz QVSOFONHXZHIHW-GDBMZVCRSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000705923223 660839228 /nfs/dbraw/zinc/83/92/28/660839228.db2.gz NHIHMOXTDJBSEW-OAHLLOKOSA-N 1 0 322.449 3.221 10 0 DGAERO C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000705923221 660839338 /nfs/dbraw/zinc/83/93/38/660839338.db2.gz NHIHMOXTDJBSEW-HNNXBMFYSA-N 1 0 322.449 3.221 10 0 DGAERO C[NH+]1C[C@@]2(C)CN(Cc3ccc(Cl)nc3Cl)C[C@]2(C)C1 ZINC000706237923 660851069 /nfs/dbraw/zinc/85/10/69/660851069.db2.gz QSNHKPGCAKZGNK-GJZGRUSLSA-N 1 0 314.260 3.162 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CC[C@H]1CC1(F)F ZINC000706452765 660856064 /nfs/dbraw/zinc/85/60/64/660856064.db2.gz ZNOSOMIKQKXTDJ-NWDGAFQWSA-N 1 0 304.381 3.021 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]CCc1ccccc1)C2 ZINC000706424798 660857499 /nfs/dbraw/zinc/85/74/99/660857499.db2.gz KSHHFZVVHURCSI-UHFFFAOYSA-N 1 0 316.445 3.218 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCCC12CC2)c1cccc(Br)c1 ZINC000706937069 660882126 /nfs/dbraw/zinc/88/21/26/660882126.db2.gz SBJQANAUELPXSZ-KGLIPLIRSA-N 1 0 310.235 3.405 10 0 DGAERO CS[C@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707917104 660915658 /nfs/dbraw/zinc/91/56/58/660915658.db2.gz MHMFETSDWCIMQH-RQJABVFESA-N 1 0 314.495 3.116 10 0 DGAERO Cc1conc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000708293116 660919849 /nfs/dbraw/zinc/91/98/49/660919849.db2.gz IVKGPZHNYIJVFR-AWEZNQCLSA-N 1 0 323.437 3.108 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1)[C@]12C[C@H]1CCCC2 ZINC000708829449 660923469 /nfs/dbraw/zinc/92/34/69/660923469.db2.gz YWHSWJINIVWPEY-NQYYFHDYSA-N 1 0 303.446 3.123 10 0 DGAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000708599341 660924411 /nfs/dbraw/zinc/92/44/11/660924411.db2.gz RGEZQMUOKWSSDQ-AAEUAGOBSA-N 1 0 317.260 3.101 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000709656444 660925603 /nfs/dbraw/zinc/92/56/03/660925603.db2.gz NMQVRVSWRYFGAK-ZDUSSCGKSA-N 1 0 314.470 3.085 10 0 DGAERO CO[C@H]1C[C@@H](C[N@H+](C)Cc2cscc2Br)C1 ZINC000709776552 660929775 /nfs/dbraw/zinc/92/97/75/660929775.db2.gz BAMKULFHHDLAGH-JGZJWPJOSA-N 1 0 304.253 3.367 10 0 DGAERO CN(Cc1cscc1Br)C[C@@H]1CCCC[NH2+]C1 ZINC000709993138 660931600 /nfs/dbraw/zinc/93/16/00/660931600.db2.gz SYGVASDJXXGPDD-LLVKDONJSA-N 1 0 317.296 3.332 10 0 DGAERO Fc1ccc(C[NH2+]CCc2ccns2)cc1Br ZINC000709985536 660931726 /nfs/dbraw/zinc/93/17/26/660931726.db2.gz VPEAMRRAKZOFPR-UHFFFAOYSA-N 1 0 315.211 3.377 10 0 DGAERO Fc1cc(Br)ccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000711131310 660940072 /nfs/dbraw/zinc/94/00/72/660940072.db2.gz WJYDWYVGDAWTRV-LBPRGKRZSA-N 1 0 314.198 3.389 10 0 DGAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000711446600 660953187 /nfs/dbraw/zinc/95/31/87/660953187.db2.gz FCSSDKZJWURVHJ-OPFPJEHXSA-N 1 0 305.422 3.036 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCc2ccc(F)cc2)C1 ZINC000711473902 660953758 /nfs/dbraw/zinc/95/37/58/660953758.db2.gz DYRSQTUVDZBFIC-UHFFFAOYSA-N 1 0 322.424 3.261 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2ccc(Br)cn2)OC1 ZINC000711234209 660942347 /nfs/dbraw/zinc/94/23/47/660942347.db2.gz AUCDOHOCWJCHSL-CYBMUJFWSA-N 1 0 313.239 3.139 10 0 DGAERO C[C@H](C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)CC(F)(F)F ZINC000711459652 660953949 /nfs/dbraw/zinc/95/39/49/660953949.db2.gz MVYQUFMBXJJMIR-SDDRHHMPSA-N 1 0 324.387 3.468 10 0 DGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cscc1Br ZINC000286312037 655537518 /nfs/dbraw/zinc/53/75/18/655537518.db2.gz CYMITYUUSMXVHI-CABZTGNLSA-N 1 0 304.253 3.151 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCCCCCO)c1 ZINC000175743845 655542634 /nfs/dbraw/zinc/54/26/34/655542634.db2.gz NGNPVXZVZUWJPU-KRWDZBQOSA-N 1 0 307.434 3.393 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2)[C@H]1c1ccccc1 ZINC000254945583 655547248 /nfs/dbraw/zinc/54/72/48/655547248.db2.gz RCNRFGHXDRTGOK-XADQWHJNSA-N 1 0 306.409 3.261 10 0 DGAERO C[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000187813342 655557775 /nfs/dbraw/zinc/55/77/75/655557775.db2.gz VFCCVRKUWBJHDL-SMDDNHRTSA-N 1 0 304.217 3.138 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175780992 655576635 /nfs/dbraw/zinc/57/66/35/655576635.db2.gz UGOGZKHHIZDMRL-WYMLVPIESA-N 1 0 304.409 3.218 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000049948800 655627111 /nfs/dbraw/zinc/62/71/11/655627111.db2.gz OKJYMCJKVBTOMT-UONOGXRCSA-N 1 0 311.809 3.158 10 0 DGAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000049949151 655627257 /nfs/dbraw/zinc/62/72/57/655627257.db2.gz CTYRXXJYQYGPNG-OLZOCXBDSA-N 1 0 302.187 3.245 10 0 DGAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000050373501 655656345 /nfs/dbraw/zinc/65/63/45/655656345.db2.gz CEEOEDHPPONNLV-STQMWFEESA-N 1 0 302.187 3.245 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1cc(-c2ccccc2)no1 ZINC000261687709 655664545 /nfs/dbraw/zinc/66/45/45/655664545.db2.gz DUSMIXOPPCVCGI-UHFFFAOYSA-N 1 0 321.424 3.345 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000187933857 655671494 /nfs/dbraw/zinc/67/14/94/655671494.db2.gz ZVICADVTMMDJMV-IAQYHMDHSA-N 1 0 312.797 3.231 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000246853927 655689654 /nfs/dbraw/zinc/68/96/54/655689654.db2.gz CDYMLBVESAAIFX-SOUVJXGZSA-N 1 0 314.470 3.085 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000261888530 655692607 /nfs/dbraw/zinc/69/26/07/655692607.db2.gz NKAGDNFVYCUXDW-HNNXBMFYSA-N 1 0 313.401 3.422 10 0 DGAERO Brc1cnn(CCC[NH2+][C@H]2CCCC3(CC3)C2)c1 ZINC000723595416 655703684 /nfs/dbraw/zinc/70/36/84/655703684.db2.gz YCOZYYWQOSLRFO-ZDUSSCGKSA-N 1 0 312.255 3.348 10 0 DGAERO Cc1nc(C)c(CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000723602325 655704812 /nfs/dbraw/zinc/70/48/12/655704812.db2.gz IXEZHPKBYPOYJH-IBGZPJMESA-N 1 0 313.445 3.293 10 0 DGAERO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(F)c(Cl)c1 ZINC000723847812 655724541 /nfs/dbraw/zinc/72/45/41/655724541.db2.gz NGOLSEXZZSBIAU-SNVBAGLBSA-N 1 0 321.845 3.201 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)s1 ZINC000723882129 655728352 /nfs/dbraw/zinc/72/83/52/655728352.db2.gz HURYRBNWLYNBDF-LLVKDONJSA-N 1 0 303.493 3.032 10 0 DGAERO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)CS(C)(=O)=O ZINC000723883400 655728546 /nfs/dbraw/zinc/72/85/46/655728546.db2.gz PMFYCZFAOGAZCZ-ZIAGYGMSSA-N 1 0 303.512 3.252 10 0 DGAERO CC[C@@H]([NH2+]Cc1ncccc1Br)[C@H]1CCCOC1 ZINC000724004725 655735323 /nfs/dbraw/zinc/73/53/23/655735323.db2.gz VMZNOROZEFZUFX-WCQYABFASA-N 1 0 313.239 3.139 10 0 DGAERO C[C@@](O)(C[NH2+][C@@H]1CCCC2(CC2)C1)C(F)(F)C(F)(F)F ZINC000724078078 655740143 /nfs/dbraw/zinc/74/01/43/655740143.db2.gz KDVHFUPOUTZHAT-NXEZZACHSA-N 1 0 301.299 3.247 10 0 DGAERO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccsc1 ZINC000724105347 655741971 /nfs/dbraw/zinc/74/19/71/655741971.db2.gz AVGFZBIDQSBHHQ-IONNQARKSA-N 1 0 303.296 3.347 10 0 DGAERO COC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000234565169 655744199 /nfs/dbraw/zinc/74/41/99/655744199.db2.gz BLOGRSOYKHVQEP-KGLIPLIRSA-N 1 0 314.470 3.085 10 0 DGAERO CSC[C@@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724117399 655744211 /nfs/dbraw/zinc/74/42/11/655744211.db2.gz KVPZAETYMRIDGX-NXEZZACHSA-N 1 0 321.355 3.010 10 0 DGAERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1csc(Cl)c1 ZINC000724344534 655756365 /nfs/dbraw/zinc/75/63/65/655756365.db2.gz WGVVOIAOOBGMRR-OTQBISOXSA-N 1 0 319.879 3.160 10 0 DGAERO CC(C)[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000091312017 655784912 /nfs/dbraw/zinc/78/49/12/655784912.db2.gz QOJAXBXREIZTAV-ZDUSSCGKSA-N 1 0 324.273 3.325 10 0 DGAERO Brc1c[nH]c(C[NH2+]C23CC4CC(CC(C4)C2)C3)n1 ZINC000225186588 655785509 /nfs/dbraw/zinc/78/55/09/655785509.db2.gz ONIHVJOVAHPXCZ-UHFFFAOYSA-N 1 0 310.239 3.231 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1)c1cccc(Cl)c1Cl ZINC000724601806 655792134 /nfs/dbraw/zinc/79/21/34/655792134.db2.gz ZUDDZLOEDDRLBU-BBGACYKPSA-N 1 0 316.228 3.448 10 0 DGAERO C[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1F ZINC000161577029 655806489 /nfs/dbraw/zinc/80/64/89/655806489.db2.gz OSATXIROQSCJGL-LBPRGKRZSA-N 1 0 311.372 3.344 10 0 DGAERO Cn1ncc(C[NH2+]CCCCOCc2ccccc2)c1Cl ZINC000712449428 661188650 /nfs/dbraw/zinc/18/86/50/661188650.db2.gz FIGQPNVPMOJENG-UHFFFAOYSA-N 1 0 307.825 3.160 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)[nH]1 ZINC000724793064 655812079 /nfs/dbraw/zinc/81/20/79/655812079.db2.gz MIFSANKXNWEOPT-KRWDZBQOSA-N 1 0 324.469 3.056 10 0 DGAERO CCN1CC[C@@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000712608279 661189260 /nfs/dbraw/zinc/18/92/60/661189260.db2.gz RYGBYRGYUYSZDE-KOLCDFICSA-N 1 0 315.280 3.182 10 0 DGAERO C[N@@H+]1CCN(Cc2ccsc2Br)CCC1(C)C ZINC000712636101 661189285 /nfs/dbraw/zinc/18/92/85/661189285.db2.gz BVCFEDGTNDMSNX-UHFFFAOYSA-N 1 0 317.296 3.427 10 0 DGAERO CC1(C)CC[NH2+]CCN1Cc1ccc(Br)s1 ZINC000712555663 661189508 /nfs/dbraw/zinc/18/95/08/661189508.db2.gz YDAZKXOSFGPGCW-UHFFFAOYSA-N 1 0 303.269 3.085 10 0 DGAERO CC[C@H]1C[C@H]([NH2+]CCc2sccc2Br)CO1 ZINC000713047160 661189838 /nfs/dbraw/zinc/18/98/38/661189838.db2.gz XGILBVHBGSDKKF-UWVGGRQHSA-N 1 0 304.253 3.210 10 0 DGAERO C[C@H]([NH2+]CCc1sccc1Br)[C@H]1CCOC1 ZINC000713094572 661190136 /nfs/dbraw/zinc/19/01/36/661190136.db2.gz SCHFLOZHXIGZBN-UWVGGRQHSA-N 1 0 304.253 3.068 10 0 DGAERO C[C@H]([NH2+]CCc1sccc1Br)c1ccnn1C ZINC000713106125 661190248 /nfs/dbraw/zinc/19/02/48/661190248.db2.gz VQAAMTVPYZVDNN-VIFPVBQESA-N 1 0 314.252 3.137 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCc2sccc2Br)[C@H](C)O1 ZINC000713114955 661190278 /nfs/dbraw/zinc/19/02/78/661190278.db2.gz BOLCHFWSHLYBKQ-WCABBAIRSA-N 1 0 304.253 3.209 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCc2sccc2Br)[C@H](C)O1 ZINC000713114956 661190303 /nfs/dbraw/zinc/19/03/03/661190303.db2.gz BOLCHFWSHLYBKQ-YWVKMMECSA-N 1 0 304.253 3.209 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000724917762 655829524 /nfs/dbraw/zinc/82/95/24/655829524.db2.gz MCGYFAGEYSOEHD-BKDHPRRPSA-N 1 0 316.626 3.106 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000724918934 655829604 /nfs/dbraw/zinc/82/96/04/655829604.db2.gz YKHSKEOGAAUPFV-YXMLORGKSA-N 1 0 316.626 3.106 10 0 DGAERO CCCCCCOc1cc(C)ccc1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000161949069 655833131 /nfs/dbraw/zinc/83/31/31/655833131.db2.gz BHYGZEYGGDZNDV-KRWDZBQOSA-N 1 0 318.461 3.180 10 0 DGAERO c1cc2c(s1)CCC[C@@H]2c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000168459217 655835279 /nfs/dbraw/zinc/83/52/79/655835279.db2.gz GUASCMAPPULLIR-AAEUAGOBSA-N 1 0 303.431 3.141 10 0 DGAERO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1Br ZINC000713828736 661194468 /nfs/dbraw/zinc/19/44/68/661194468.db2.gz XVENXUSWGHLQSJ-LBPRGKRZSA-N 1 0 300.244 3.193 10 0 DGAERO OCC[C@H]([NH2+]Cc1ccc(Br)o1)C1CCCC1 ZINC000725084502 655854256 /nfs/dbraw/zinc/85/42/56/655854256.db2.gz GRXJJUYWCOFROJ-LBPRGKRZSA-N 1 0 302.212 3.073 10 0 DGAERO COCC1CC([NH2+]Cc2cccc(Br)c2F)C1 ZINC000713954196 661195116 /nfs/dbraw/zinc/19/51/16/661195116.db2.gz XMXXZBUHDYQEQP-UHFFFAOYSA-N 1 0 302.187 3.103 10 0 DGAERO CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)sc2C1 ZINC000262400577 655857210 /nfs/dbraw/zinc/85/72/10/655857210.db2.gz OAKAHUKAEZTOQD-XQQFMLRXSA-N 1 0 321.490 3.375 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)/C(C)=C\c2ccc(F)cc2)CC1 ZINC000255600368 655861836 /nfs/dbraw/zinc/86/18/36/655861836.db2.gz GIUBOTSJAVJMSH-SQFISAMPSA-N 1 0 318.436 3.467 10 0 DGAERO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000714341912 661198867 /nfs/dbraw/zinc/19/88/67/661198867.db2.gz ITRYCZCYVYBDEX-LBPRGKRZSA-N 1 0 322.257 3.050 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C(\C)c1ccc(F)cc1 ZINC000177021773 655886600 /nfs/dbraw/zinc/88/66/00/655886600.db2.gz RGBKGSMWVSIKBF-ABDJAZHISA-N 1 0 304.409 3.172 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(F)cc1Cl ZINC000714368371 661199347 /nfs/dbraw/zinc/19/93/47/661199347.db2.gz YSFHRBCPISCESR-ZYHUDNBSSA-N 1 0 319.829 3.097 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1csc(Cl)c1 ZINC000714377261 661199398 /nfs/dbraw/zinc/19/93/98/661199398.db2.gz UNBXZLWJZPDXRY-ONGXEEELSA-N 1 0 307.868 3.019 10 0 DGAERO CC(C)(C[NH3+])C1CCN(c2ccncc2Br)CC1 ZINC000714392553 661199820 /nfs/dbraw/zinc/19/98/20/661199820.db2.gz SCADWXZFWWJCGL-UHFFFAOYSA-N 1 0 312.255 3.045 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000714459543 661200691 /nfs/dbraw/zinc/20/06/91/661200691.db2.gz NTEZKKUALRZGBY-CORIIIEPSA-N 1 0 312.251 3.395 10 0 DGAERO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccccc1-n1cccn1 ZINC000177339415 655921919 /nfs/dbraw/zinc/92/19/19/655921919.db2.gz FONPODMKNRMNEO-OXJNMPFZSA-N 1 0 321.424 3.431 10 0 DGAERO Cc1nc(C[NH2+]C[C@H]2CCC(C)(C)O2)sc1Br ZINC000719241907 655931793 /nfs/dbraw/zinc/93/17/93/655931793.db2.gz VFPIDAHYJMJYIL-SECBINFHSA-N 1 0 319.268 3.261 10 0 DGAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000721617093 655946994 /nfs/dbraw/zinc/94/69/94/655946994.db2.gz ZGVCELCZAVEJIJ-FHWLQOOXSA-N 1 0 316.489 3.444 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000715134603 661209822 /nfs/dbraw/zinc/20/98/22/661209822.db2.gz AYBZZFMXOWOKEZ-IBEHDNSVSA-N 1 0 308.466 3.316 10 0 DGAERO Brc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)o1 ZINC000715436415 661210849 /nfs/dbraw/zinc/21/08/49/661210849.db2.gz CXOOWFCFDPVCDZ-JQWIXIFHSA-N 1 0 300.196 3.089 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC[C@@H]2CCCS2)C1 ZINC000715633677 661213046 /nfs/dbraw/zinc/21/30/46/661213046.db2.gz FFNKSTUSPGCJBW-MJBXVCDLSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000309653462 656036189 /nfs/dbraw/zinc/03/61/89/656036189.db2.gz HSNNYWBPVOYDTK-AJYBTWMASA-N 1 0 312.457 3.061 10 0 DGAERO C[C@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)c1ccns1 ZINC000716019001 661216532 /nfs/dbraw/zinc/21/65/32/661216532.db2.gz GFRKTALHSJUUTK-NSHDSACASA-N 1 0 313.467 3.487 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccns1 ZINC000715974873 661217435 /nfs/dbraw/zinc/21/74/35/661217435.db2.gz GKHSAYMBGWMXMO-DZKIICNBSA-N 1 0 301.459 3.457 10 0 DGAERO C[C@](O)(C[NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1 ZINC000716280185 661220560 /nfs/dbraw/zinc/22/05/60/661220560.db2.gz BLOZGEDDJQVEBE-MHJFOBGBSA-N 1 0 311.425 3.232 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCO1)CCO2 ZINC000037215308 661221186 /nfs/dbraw/zinc/22/11/86/661221186.db2.gz VPZRVVCKNJHAMC-YPMHNXCESA-N 1 0 312.207 3.041 10 0 DGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCCCC1CC1 ZINC000716342896 661222061 /nfs/dbraw/zinc/22/20/61/661222061.db2.gz DWJVCXUXEAUBKI-UHFFFAOYSA-N 1 0 315.866 3.413 10 0 DGAERO C[C@@H]([NH2+]Cc1cc[nH]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716585278 661224601 /nfs/dbraw/zinc/22/46/01/661224601.db2.gz UXTNEXXREVWVGJ-CYBMUJFWSA-N 1 0 307.438 3.140 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000236683252 656116660 /nfs/dbraw/zinc/11/66/60/656116660.db2.gz PIPCTVYWIBAENG-OWBHPGMISA-N 1 0 316.420 3.220 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716655115 661226049 /nfs/dbraw/zinc/22/60/49/661226049.db2.gz BABASUJQGAEFNS-ODICJLLRSA-N 1 0 308.466 3.171 10 0 DGAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000716655121 661226067 /nfs/dbraw/zinc/22/60/67/661226067.db2.gz BABASUJQGAEFNS-RESZVYJASA-N 1 0 308.466 3.171 10 0 DGAERO C[C@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716658857 661226136 /nfs/dbraw/zinc/22/61/36/661226136.db2.gz KNXJBKZOMCDGAP-HDNYOTOHSA-N 1 0 308.466 3.124 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000186750252 656133082 /nfs/dbraw/zinc/13/30/82/656133082.db2.gz HCTUGNCXLYEONH-MWLCHTKSSA-N 1 0 308.834 3.283 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cccc(Br)c1F ZINC000716832670 661229305 /nfs/dbraw/zinc/22/93/05/661229305.db2.gz YZGFVDMIKHKXEX-KOLCDFICSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)ccc1F ZINC000716884052 661230168 /nfs/dbraw/zinc/23/01/68/661230168.db2.gz HHSSPDHUCXMSPC-SKDRFNHKSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000716887493 661230169 /nfs/dbraw/zinc/23/01/69/661230169.db2.gz RZTDJNSAZPVYMX-JBLDHEPKSA-N 1 0 301.228 3.044 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000716884996 661230197 /nfs/dbraw/zinc/23/01/97/661230197.db2.gz JWFZAQCYGGCSEL-KOLCDFICSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)ccc1OC ZINC000716946327 661234672 /nfs/dbraw/zinc/23/46/72/661234672.db2.gz QRIZGJQAQZAMQF-ZWNOBZJWSA-N 1 0 316.239 3.097 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)ccc1OC ZINC000716946320 661234742 /nfs/dbraw/zinc/23/47/42/661234742.db2.gz QRIZGJQAQZAMQF-GXFFZTMASA-N 1 0 316.239 3.097 10 0 DGAERO C=C(Cl)CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000077790804 656288206 /nfs/dbraw/zinc/28/82/06/656288206.db2.gz WDNGBOQAVRRNFV-UHFFFAOYSA-N 1 0 321.852 3.224 10 0 DGAERO [NH3+][C@@H]1CN(c2nc3ccccc3s2)CC[C@H]1C(F)(F)F ZINC000717088893 661247376 /nfs/dbraw/zinc/24/73/76/661247376.db2.gz FOQWKBKGPMOFCN-RKDXNWHRSA-N 1 0 301.337 3.012 10 0 DGAERO [NH3+][C@H]1CN(Cc2cc(F)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000717157645 661255922 /nfs/dbraw/zinc/25/59/22/661255922.db2.gz YKCHENVYBZOEEB-JQWIXIFHSA-N 1 0 310.722 3.191 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000717160929 661256184 /nfs/dbraw/zinc/25/61/84/661256184.db2.gz ODBVZMGMMXRGLN-DZKIICNBSA-N 1 0 308.466 3.412 10 0 DGAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000717160932 661256280 /nfs/dbraw/zinc/25/62/80/661256280.db2.gz ODBVZMGMMXRGLN-SQWLQELKSA-N 1 0 308.466 3.412 10 0 DGAERO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000722273484 656376062 /nfs/dbraw/zinc/37/60/62/656376062.db2.gz VNGCQPIZDWITGZ-NOZJJQNGSA-N 1 0 317.658 3.142 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(C)c1O ZINC000245893864 656393472 /nfs/dbraw/zinc/39/34/72/656393472.db2.gz QPTGBEZWSQVATQ-IMJJTQAJSA-N 1 0 303.402 3.007 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccccc2SC(F)F)CC1 ZINC000037622892 661269104 /nfs/dbraw/zinc/26/91/04/661269104.db2.gz KEOUWCGNCMPKEG-UHFFFAOYSA-N 1 0 300.374 3.457 10 0 DGAERO C[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1cccs1 ZINC000007375814 656544640 /nfs/dbraw/zinc/54/46/40/656544640.db2.gz YNQGFFOVHIGLAM-JTQLQIEISA-N 1 0 301.367 3.411 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(C)o1 ZINC000106547943 656618993 /nfs/dbraw/zinc/61/89/93/656618993.db2.gz VSMJWAZFHHDJAR-ZFWWWQNUSA-N 1 0 319.449 3.274 10 0 DGAERO C[N@H+](C[C@@H](O)c1cc(F)ccc1F)CC1(O)CCCCCC1 ZINC000187327113 661281364 /nfs/dbraw/zinc/28/13/64/661281364.db2.gz CQJCCPGPFZPIJH-MRXNPFEDSA-N 1 0 313.388 3.015 10 0 DGAERO C[C@H](CCCC(F)(F)F)[NH2+]Cc1nc(CN(C)C)cs1 ZINC000722407771 656725942 /nfs/dbraw/zinc/72/59/42/656725942.db2.gz XCIWOIBIMZJDJW-SNVBAGLBSA-N 1 0 309.401 3.415 10 0 DGAERO CC(C)[C@@H](CCc1ccccc1)[NH2+]CCCN1CCOC1=O ZINC000178591043 656938344 /nfs/dbraw/zinc/93/83/44/656938344.db2.gz SXUBFAKJFFGHNV-QGZVFWFLSA-N 1 0 304.434 3.076 10 0 DGAERO CCN1CCCC[C@@H]1C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248511814 657030651 /nfs/dbraw/zinc/03/06/51/657030651.db2.gz BTNFKGWZJFFALV-IUODEOHRSA-N 1 0 306.362 3.073 10 0 DGAERO COC[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000249841887 657049263 /nfs/dbraw/zinc/04/92/63/657049263.db2.gz NTDLDEQEYVGTMZ-DOTOQJQBSA-N 1 0 303.402 3.098 10 0 DGAERO C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000261973886 657269065 /nfs/dbraw/zinc/26/90/65/657269065.db2.gz QLJCRDOBLVEULK-QWRGUYRKSA-N 1 0 315.339 3.215 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000721818875 657409826 /nfs/dbraw/zinc/40/98/26/657409826.db2.gz YYLMKYOBPUWESR-SECBINFHSA-N 1 0 304.253 3.103 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000249685522 657418937 /nfs/dbraw/zinc/41/89/37/657418937.db2.gz GOHIPVCYTFTALI-APHBMKBZSA-N 1 0 301.386 3.235 10 0 DGAERO CCC[C@H]1CCc2nc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)sc2C1 ZINC000262400576 657548019 /nfs/dbraw/zinc/54/80/19/657548019.db2.gz OAKAHUKAEZTOQD-AVGNSLFASA-N 1 0 321.490 3.375 10 0 DGAERO CC/C=C(/C)C[N@@H+]1CC[C@H](CNC(=O)Nc2c(C)noc2C)C1 ZINC000096753294 657555032 /nfs/dbraw/zinc/55/50/32/657555032.db2.gz VLWWAHXZRGNZKV-NYXMJBRJSA-N 1 0 320.437 3.091 10 0 DGAERO C[C@H](C[NH2+][C@H]1CCc2ccccc2C1)N(C)C(=O)OC(C)(C)C ZINC000304238962 657611469 /nfs/dbraw/zinc/61/14/69/657611469.db2.gz CRHAPSPSGXEFIY-PBHICJAKSA-N 1 0 318.461 3.389 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc(C)c1O ZINC000304360110 657630097 /nfs/dbraw/zinc/63/00/97/657630097.db2.gz YMLMNXKAZWUPSK-CQSZACIVSA-N 1 0 322.449 3.354 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000127276306 657722915 /nfs/dbraw/zinc/72/29/15/657722915.db2.gz KOMGJIOCNFOBSC-CQSZACIVSA-N 1 0 317.820 3.102 10 0 DGAERO COC(=O)[C@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000722109640 657726466 /nfs/dbraw/zinc/72/64/66/657726466.db2.gz MXEFEKCUBQNZNT-HZMBPMFUSA-N 1 0 316.228 3.277 10 0 DGAERO Clc1csc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c1 ZINC000720495342 657801943 /nfs/dbraw/zinc/80/19/43/657801943.db2.gz KMHKQJRUZQFYIW-CHWSQXEVSA-N 1 0 302.896 3.071 10 0 DGAERO CN1CCC[C@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000221146975 657889392 /nfs/dbraw/zinc/88/93/92/657889392.db2.gz ZSBAXRHVRRNTSM-LBPRGKRZSA-N 1 0 304.381 3.482 10 0 DGAERO CCn1ccnc1CN1CC[C@@]2(C1)CCC[N@H+](CC(C)(C)C)C2 ZINC000015067141 658008452 /nfs/dbraw/zinc/00/84/52/658008452.db2.gz FCFIRWBPWDUANA-LJQANCHMSA-N 1 0 318.509 3.237 10 0 DGAERO C[C@H]1C[C@@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000720658526 658056184 /nfs/dbraw/zinc/05/61/84/658056184.db2.gz DSFXLLKIXYAASC-KHEOEIQESA-N 1 0 308.466 3.410 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2c(F)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000720847083 658149600 /nfs/dbraw/zinc/14/96/00/658149600.db2.gz YBICQDHDBHPGQA-WPRPVWTQSA-N 1 0 310.722 3.048 10 0 DGAERO Cc1ccc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000720878180 658155170 /nfs/dbraw/zinc/15/51/70/658155170.db2.gz QIGFSFMVHBVYSZ-NWDGAFQWSA-N 1 0 306.759 3.217 10 0 DGAERO CC1(C[NH2+]Cc2ccc(Br)cn2)CC(F)(F)C1 ZINC000720935164 658236838 /nfs/dbraw/zinc/23/68/38/658236838.db2.gz BBDGQCWXECRHIF-UHFFFAOYSA-N 1 0 305.166 3.369 10 0 DGAERO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]C2CCCCCCC2)C1 ZINC000263509195 658259593 /nfs/dbraw/zinc/25/95/93/658259593.db2.gz MXEUQAFQAWSUGE-UHFFFAOYSA-N 1 0 308.466 3.017 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000721874097 658316393 /nfs/dbraw/zinc/31/63/93/658316393.db2.gz YOKMWAIFRXILCN-LLVKDONJSA-N 1 0 316.214 3.181 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000721028979 658402716 /nfs/dbraw/zinc/40/27/16/658402716.db2.gz TZBFFZURNTYMPA-NXEZZACHSA-N 1 0 316.232 3.361 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721852347 658753910 /nfs/dbraw/zinc/75/39/10/658753910.db2.gz KQEIQOABEDEVMR-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)C[C@H](O)c1cc(F)ccc1F ZINC000055025048 658908655 /nfs/dbraw/zinc/90/86/55/658908655.db2.gz JAURYSRAAJTLMD-KRWDZBQOSA-N 1 0 309.331 3.312 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cccc(F)c2Br)C1 ZINC000157010090 658976751 /nfs/dbraw/zinc/97/67/51/658976751.db2.gz VBTQLTOFSSUHCN-GHMZBOCLSA-N 1 0 315.230 3.147 10 0 DGAERO FC(F)(F)c1cc(Cl)nc(N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000225823937 659084333 /nfs/dbraw/zinc/08/43/33/659084333.db2.gz MTCDIVFPXMNGOH-SNVBAGLBSA-N 1 0 305.731 3.038 10 0 DGAERO CC[C@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1nccs1 ZINC000226818853 659139316 /nfs/dbraw/zinc/13/93/16/659139316.db2.gz HRPSFWDCTNLCAN-FPMFFAJLSA-N 1 0 303.431 3.047 10 0 DGAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cncc2ccccc21 ZINC000227689827 659161839 /nfs/dbraw/zinc/16/18/39/659161839.db2.gz GNPBUGOFCZNRCV-CYBMUJFWSA-N 1 0 315.417 3.238 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(F)c1 ZINC000227754373 659162549 /nfs/dbraw/zinc/16/25/49/659162549.db2.gz HSTLOXLBZDMOHK-SNAWJCMRSA-N 1 0 312.360 3.135 10 0 DGAERO CCOCc1nc(Cl)cc(N[C@@H](CC(C)C)C[NH+](C)C)n1 ZINC000129863935 659167802 /nfs/dbraw/zinc/16/78/02/659167802.db2.gz RZPVLJUFCJFJDV-LBPRGKRZSA-N 1 0 314.861 3.055 10 0 DGAERO Cc1cccnc1C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000229095083 659236212 /nfs/dbraw/zinc/23/62/12/659236212.db2.gz AYMMNCKAJXBMAC-GJZGRUSLSA-N 1 0 319.449 3.173 10 0 DGAERO CC(C)(C)c1csc(C[NH2+]C[C@@H]2CSCCS2)n1 ZINC000229604783 659271953 /nfs/dbraw/zinc/27/19/53/659271953.db2.gz NZVQYIMSVATNSI-SNVBAGLBSA-N 1 0 302.534 3.379 10 0 DGAERO C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@H]1CSCCS1 ZINC000229597493 659272061 /nfs/dbraw/zinc/27/20/61/659272061.db2.gz IDIYTBWDYUCHEP-KBPBESRZSA-N 1 0 301.521 3.307 10 0 DGAERO Cc1sc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1Br ZINC000229629611 659272931 /nfs/dbraw/zinc/27/29/31/659272931.db2.gz WNXGPSIEWDPASY-ZETCQYMHSA-N 1 0 300.225 3.393 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000229842628 659285248 /nfs/dbraw/zinc/28/52/48/659285248.db2.gz ZBRZYZGPURYELK-KLAILNCOSA-N 1 0 316.445 3.189 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]Cc2ccoc2)C1 ZINC000230161357 659315039 /nfs/dbraw/zinc/31/50/39/659315039.db2.gz SRTDLRAGTIYUKH-QGZVFWFLSA-N 1 0 308.422 3.406 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCSC(C)(C)C ZINC000245537872 659512000 /nfs/dbraw/zinc/51/20/00/659512000.db2.gz IWYBDABLJKHKEF-CABCVRRESA-N 1 0 312.523 3.384 10 0 DGAERO COC1(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)CCCCC1 ZINC000319546377 659605467 /nfs/dbraw/zinc/60/54/67/659605467.db2.gz CQFJDKFTVCITFW-HJWRWDBZSA-N 1 0 312.454 3.006 10 0 DGAERO Clc1ccc(Cc2noc([C@H]3CCC[NH2+]C3)n2)c(Cl)c1 ZINC000035347263 659613206 /nfs/dbraw/zinc/61/32/06/659613206.db2.gz VXXAEPPMMGIFQJ-JTQLQIEISA-N 1 0 312.200 3.434 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)s1 ZINC000089389420 659637886 /nfs/dbraw/zinc/63/78/86/659637886.db2.gz WSRDSLSIVGNSGP-AXFHLTTASA-N 1 0 300.855 3.344 10 0 DGAERO O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CCCC12CCC2 ZINC000444772851 659886442 /nfs/dbraw/zinc/88/64/42/659886442.db2.gz BOKXXFLEHPLABB-OAHLLOKOSA-N 1 0 309.837 3.236 10 0 DGAERO C[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@@H]1CCSC1 ZINC000179649776 659936606 /nfs/dbraw/zinc/93/66/06/659936606.db2.gz PDMLWEJJZIZCKZ-KGLIPLIRSA-N 1 0 310.850 3.270 10 0 DGAERO Cl/C=C/C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181291030 659992135 /nfs/dbraw/zinc/99/21/35/659992135.db2.gz WBWCVNRJIGSILC-VZUFXWRPSA-N 1 0 302.809 3.404 10 0 DGAERO COC[C@H]([NH2+]CCSC(F)(F)F)c1ccc(F)c(F)c1 ZINC000182524714 660060799 /nfs/dbraw/zinc/06/07/99/660060799.db2.gz FVLKEQWQNSAADH-NSHDSACASA-N 1 0 315.307 3.495 10 0 DGAERO O=C(C[C@@H]1CCCCO1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183200833 660104512 /nfs/dbraw/zinc/10/45/12/660104512.db2.gz XTDVCFFQPXHGNR-ROUUACIJSA-N 1 0 317.429 3.153 10 0 DGAERO OCC[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)C1CCCCC1 ZINC000183715271 660132814 /nfs/dbraw/zinc/13/28/14/660132814.db2.gz IZIFGJZJTYKRAB-SJORKVTESA-N 1 0 311.853 3.294 10 0 DGAERO CCc1oc2ccccc2c1CN(C)CN1CCOC1=S ZINC000074391731 661461702 /nfs/dbraw/zinc/46/17/02/661461702.db2.gz SJQQVDUKFSWATC-UHFFFAOYSA-N 1 0 304.415 3.002 10 0 DGAERO CCCCOCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000040507203 661832099 /nfs/dbraw/zinc/83/20/99/661832099.db2.gz GEOOJZZURRNMGA-AWEZNQCLSA-N 1 0 305.340 3.145 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCSC(C)(C)C)[C@H](C)C1 ZINC000155984558 661856543 /nfs/dbraw/zinc/85/65/43/661856543.db2.gz PJVGQAQCKSTRAM-CABCVRRESA-N 1 0 314.539 3.487 10 0 DGAERO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccnc1Cl ZINC000156233805 661860767 /nfs/dbraw/zinc/86/07/67/661860767.db2.gz ZFTZHADYGMZHPX-CYBMUJFWSA-N 1 0 316.836 3.450 10 0 DGAERO CC(=O)Oc1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000157745468 661869112 /nfs/dbraw/zinc/86/91/12/661869112.db2.gz UTEYEGKAEBEPSL-UHFFFAOYSA-N 1 0 304.415 3.051 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188844977 661948045 /nfs/dbraw/zinc/94/80/45/661948045.db2.gz CBTXHBFZMVZGES-OUKQBFOZSA-N 1 0 304.821 3.050 10 0 DGAERO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccncc2OC)c1O ZINC000189009859 661958618 /nfs/dbraw/zinc/95/86/18/661958618.db2.gz OBXOTRCAIYUHSZ-SNVBAGLBSA-N 1 0 322.792 3.309 10 0 DGAERO Cc1cc(C)cc([C@H](O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189139663 661965857 /nfs/dbraw/zinc/96/58/57/661965857.db2.gz RMAFOWRWAJJAIK-MOPGFXCFSA-N 1 0 303.446 3.228 10 0 DGAERO CC(C)OC1CC([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C1 ZINC000189524249 661981143 /nfs/dbraw/zinc/98/11/43/661981143.db2.gz NNDSCXXWIRFZOE-UHFFFAOYSA-N 1 0 316.445 3.249 10 0 DGAERO COc1ccc2c(c1)C(=O)N(C[N@H+](C)[C@@H]1CCC[C@@H](C)C1)C2 ZINC000189707076 661988537 /nfs/dbraw/zinc/98/85/37/661988537.db2.gz HRARUKJXJQEOGW-UKRRQHHQSA-N 1 0 302.418 3.119 10 0 DGAERO C[C@@](O)(C[N@@H+]1CC2(CCCC2)OC(C)(C)C1)c1ccccc1 ZINC000190968340 662050514 /nfs/dbraw/zinc/05/05/14/662050514.db2.gz BCJPAKXXXOYVEJ-GOSISDBHSA-N 1 0 303.446 3.318 10 0 DGAERO C[NH+](C)CC1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191463008 662067887 /nfs/dbraw/zinc/06/78/87/662067887.db2.gz FURXXRDRHXAUPC-UHFFFAOYSA-N 1 0 314.832 3.395 10 0 DGAERO CC(C)n1cc(C(=O)OCCC[N@H+](C)Cc2ccccc2)cn1 ZINC000191589479 662073233 /nfs/dbraw/zinc/07/32/33/662073233.db2.gz NNSBJZRFORDLMG-UHFFFAOYSA-N 1 0 315.417 3.143 10 0 DGAERO COC(=O)C1CCC([NH2+][C@H]2CCOc3c(C)cccc32)CC1 ZINC000192448709 662098989 /nfs/dbraw/zinc/09/89/89/662098989.db2.gz SRHDJWBCZRBTMT-XUJLQICISA-N 1 0 303.402 3.140 10 0 DGAERO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000194545935 662168580 /nfs/dbraw/zinc/16/85/80/662168580.db2.gz WUCBUZDNQSWGAC-WMLDXEAASA-N 1 0 312.454 3.208 10 0 DGAERO O=C(/C=C/c1ccc(Cl)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195096837 662178324 /nfs/dbraw/zinc/17/83/24/662178324.db2.gz OCXQRRNZWOTYNQ-YXMGTMDOSA-N 1 0 304.821 3.050 10 0 DGAERO CCOC1CC[NH+](Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000084071961 662199088 /nfs/dbraw/zinc/19/90/88/662199088.db2.gz IXLFNROOTAFRBL-UHFFFAOYSA-N 1 0 322.474 3.461 10 0 DGAERO CO[C@@]1(C[NH2+][C@H](C)c2ccc(C(F)(F)F)s2)CCOC1 ZINC000717934378 662207024 /nfs/dbraw/zinc/20/70/24/662207024.db2.gz DNSDVOSKEYZHDY-BXKDBHETSA-N 1 0 309.353 3.223 10 0 DGAERO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717946687 662212019 /nfs/dbraw/zinc/21/20/19/662212019.db2.gz SXFJKBSLNRYGJV-SKDRFNHKSA-N 1 0 311.369 3.205 10 0 DGAERO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(C(F)(F)F)s1 ZINC000717955534 662212866 /nfs/dbraw/zinc/21/28/66/662212866.db2.gz GZXFOULZMHIWED-WPCRTTGESA-N 1 0 311.394 3.329 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(C(F)(F)F)s1 ZINC000717989490 662213036 /nfs/dbraw/zinc/21/30/36/662213036.db2.gz LZDKDHUIGBYEKK-DTWKUNHWSA-N 1 0 306.353 3.038 10 0 DGAERO CCOCC(C)(C)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719218553 662271647 /nfs/dbraw/zinc/27/16/47/662271647.db2.gz AOJUKDSRSMHPTI-UHFFFAOYSA-N 1 0 321.284 3.366 10 0 DGAERO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(C(F)(F)F)s1 ZINC000718013024 662214170 /nfs/dbraw/zinc/21/41/70/662214170.db2.gz ISUVPWCDASOYBI-SECBINFHSA-N 1 0 306.353 3.040 10 0 DGAERO Cc1coc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000718029018 662214244 /nfs/dbraw/zinc/21/42/44/662214244.db2.gz FMRJXMCVHWCFSO-KGLIPLIRSA-N 1 0 308.422 3.371 10 0 DGAERO Cc1cc(Br)ccc1-c1noc(CC2CC([NH3+])C2)n1 ZINC000718138514 662231692 /nfs/dbraw/zinc/23/16/92/662231692.db2.gz YYJFJVFZVRDQOP-UHFFFAOYSA-N 1 0 322.206 3.087 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000245512015 662234358 /nfs/dbraw/zinc/23/43/58/662234358.db2.gz MXUFEHXBIBXFAK-RTWAWAEBSA-N 1 0 323.436 3.068 10 0 DGAERO Clc1cc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)ccn1 ZINC000245809384 662242025 /nfs/dbraw/zinc/24/20/25/662242025.db2.gz CCVKGTHWLYPASE-KBPBESRZSA-N 1 0 312.866 3.222 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1SC(F)F ZINC000089449009 662243553 /nfs/dbraw/zinc/24/35/53/662243553.db2.gz YPXFFPVVSWSROP-UWVGGRQHSA-N 1 0 300.374 3.315 10 0 DGAERO Cc1cc(C)cc([C@@H](O)CN2CCO[C@@H](c3ccco3)C2)c1 ZINC000246319508 662253869 /nfs/dbraw/zinc/25/38/69/662253869.db2.gz CMNKCNVDAUSNDT-FUHWJXTLSA-N 1 0 301.386 3.003 10 0 DGAERO Clc1sccc1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000718412087 662254842 /nfs/dbraw/zinc/25/48/42/662254842.db2.gz PUQYZTDWLUBQQE-VXGBXAGGSA-N 1 0 302.896 3.071 10 0 DGAERO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000246353292 662254870 /nfs/dbraw/zinc/25/48/70/662254870.db2.gz MQMKOINMDZOFAW-QZTJIDSGSA-N 1 0 317.429 3.011 10 0 DGAERO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cccc(Cl)c1Cl ZINC000718425692 662255126 /nfs/dbraw/zinc/25/51/26/662255126.db2.gz JTQDLVOVIKIIKI-IDKOKCKLSA-N 1 0 301.217 3.298 10 0 DGAERO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000718425917 662255186 /nfs/dbraw/zinc/25/51/86/662255186.db2.gz MDOWNCZCLZMAOJ-SILCLGDVSA-N 1 0 301.217 3.298 10 0 DGAERO CSCC1CCC([NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000718494713 662256995 /nfs/dbraw/zinc/25/69/95/662256995.db2.gz UVZCGOBBZMGONQ-FJBKBRRZSA-N 1 0 314.564 3.078 10 0 DGAERO COCC(C)(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000718710778 662260420 /nfs/dbraw/zinc/26/04/20/662260420.db2.gz UNJCJDOGLDQHRN-FUHWJXTLSA-N 1 0 304.478 3.302 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2CC(C)(C)CO2)sc1Br ZINC000719220258 662271530 /nfs/dbraw/zinc/27/15/30/662271530.db2.gz GVGXYJHESCLYKQ-VIFPVBQESA-N 1 0 319.268 3.119 10 0 DGAERO CCOC[C@@H]([NH2+]Cc1nc(C)c(Br)s1)C(C)C ZINC000719223754 662271589 /nfs/dbraw/zinc/27/15/89/662271589.db2.gz RLCDZVCAGRIMDV-SNVBAGLBSA-N 1 0 321.284 3.365 10 0 DGAERO CO[C@@H]([C@@H](C)[NH2+]Cc1nc(C)c(Br)s1)C1CC1 ZINC000719232421 662271976 /nfs/dbraw/zinc/27/19/76/662271976.db2.gz SJSVVLQDUZOTFK-HQJQHLMTSA-N 1 0 319.268 3.117 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2csc(C(F)(F)F)c2)CCSC1 ZINC000719285024 662272774 /nfs/dbraw/zinc/27/27/74/662272774.db2.gz VANAAEKRMALPEY-LLVKDONJSA-N 1 0 311.394 3.379 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CCC(F)(F)C2)sc1Br ZINC000719289573 662273238 /nfs/dbraw/zinc/27/32/38/662273238.db2.gz XOTCKMCNVWTZHV-ZETCQYMHSA-N 1 0 311.195 3.491 10 0 DGAERO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ncc(Cl)s1)CC2 ZINC000719439479 662284836 /nfs/dbraw/zinc/28/48/36/662284836.db2.gz FHBBZFPNLFKJIN-LBPRGKRZSA-N 1 0 308.834 3.452 10 0 DGAERO C[C@](CO)([NH2+]Cc1ccccc1)c1cccc(Br)c1 ZINC000038110820 662290033 /nfs/dbraw/zinc/29/00/33/662290033.db2.gz OTLJRKDRIFNPLG-MRXNPFEDSA-N 1 0 320.230 3.446 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H](C)CCO)c(C)c1Br ZINC000719523714 662291667 /nfs/dbraw/zinc/29/16/67/662291667.db2.gz IIZAKSICPGSBQM-JTQLQIEISA-N 1 0 300.240 3.174 10 0 DGAERO Cc1ccc(C[NH2+][C@@H](CO)CC(F)F)c(C)c1Br ZINC000719612143 662294607 /nfs/dbraw/zinc/29/46/07/662294607.db2.gz KNEJPSLZYLTTER-LLVKDONJSA-N 1 0 322.193 3.172 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccc(Br)s1 ZINC000719648633 662295547 /nfs/dbraw/zinc/29/55/47/662295547.db2.gz QVCAPKBFBLUKED-LPEHRKFASA-N 1 0 303.269 3.254 10 0 DGAERO C[NH2+]CCCCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000719709593 662296962 /nfs/dbraw/zinc/29/69/62/662296962.db2.gz FHDJEVNZXSXYEP-UHFFFAOYSA-N 1 0 303.233 3.342 10 0 DGAERO C[NH2+]CCCCc1nc(-c2ccc(Br)cc2C)no1 ZINC000719710211 662297100 /nfs/dbraw/zinc/29/71/00/662297100.db2.gz KCNALCKVGJNROK-UHFFFAOYSA-N 1 0 324.222 3.350 10 0 DGAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCc1ccns1 ZINC000719862071 662297461 /nfs/dbraw/zinc/29/74/61/662297461.db2.gz OBBJWNBXJLJZQK-UHFFFAOYSA-N 1 0 303.475 3.186 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccns1 ZINC000719908517 662299416 /nfs/dbraw/zinc/29/94/16/662299416.db2.gz QROLCGLRXNEEEZ-CRAIPNDOSA-N 1 0 315.486 3.186 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](Cn1ccc(-c3ccccc3)n1)CC2 ZINC000247205016 662302743 /nfs/dbraw/zinc/30/27/43/662302743.db2.gz WOKLHAXMWWOIQI-HKUYNNGSSA-N 1 0 311.429 3.135 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccccc3Cl)CC[C@H]21 ZINC000248177970 662336284 /nfs/dbraw/zinc/33/62/84/662336284.db2.gz VWYFSYCNYDAPSV-PJZFAXFVSA-N 1 0 318.848 3.296 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000248654329 662356537 /nfs/dbraw/zinc/35/65/37/662356537.db2.gz PLDSPHRGJSDNTO-RWQQGDIJSA-N 1 0 321.461 3.015 10 0 DGAERO Fc1cccc(F)c1CN1CCC[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000249035373 662363288 /nfs/dbraw/zinc/36/32/88/662363288.db2.gz SFVDOVLXZCHJGB-HUUCEWRRSA-N 1 0 322.399 3.212 10 0 DGAERO Cc1ccc(CCCC(=O)Nc2cccc(OCC[NH3+])c2)cc1 ZINC000527436931 685269457 /nfs/dbraw/zinc/26/94/57/685269457.db2.gz UNPBPWNYPIGFEC-UHFFFAOYSA-N 1 0 312.413 3.294 10 0 DGAERO CCSCC[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000380994482 685155018 /nfs/dbraw/zinc/15/50/18/685155018.db2.gz LZWZADRCSINXDX-CYBMUJFWSA-N 1 0 302.484 3.119 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1 ZINC000381997691 685161446 /nfs/dbraw/zinc/16/14/46/685161446.db2.gz QHWPZTCSXJXAMR-CABCVRRESA-N 1 0 319.449 3.173 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C1CC1 ZINC000381975281 685161729 /nfs/dbraw/zinc/16/17/29/685161729.db2.gz IGFPFAWVFJFBFU-BCAXMMLOSA-N 1 0 308.466 3.458 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000382243070 685162301 /nfs/dbraw/zinc/16/23/01/685162301.db2.gz SCEXPUYJRDVBJJ-CQSZACIVSA-N 1 0 323.437 3.171 10 0 DGAERO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000382478987 685164446 /nfs/dbraw/zinc/16/44/46/685164446.db2.gz HRDXAJYCZPLKQK-WCBMZHEXSA-N 1 0 302.205 3.242 10 0 DGAERO Cc1ccc(C[C@H](C)[NH2+]Cc2nc(Br)c[nH]2)s1 ZINC000383348979 685166281 /nfs/dbraw/zinc/16/62/81/685166281.db2.gz ZNLAVHVSLACDOA-QMMMGPOBSA-N 1 0 314.252 3.263 10 0 DGAERO Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)ccn1 ZINC000391166143 685210128 /nfs/dbraw/zinc/21/01/28/685210128.db2.gz FLIXUZXJEVISLS-MRXNPFEDSA-N 1 0 319.449 3.269 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@H]2CSC2(C)C)C1 ZINC000393890233 685219897 /nfs/dbraw/zinc/21/98/97/685219897.db2.gz ZTDVBGIEMZQJEF-UPJWGTAASA-N 1 0 314.495 3.306 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CSC1)C1CCCCC1 ZINC000396453638 685227148 /nfs/dbraw/zinc/22/71/48/685227148.db2.gz OJCCJYCKILRCTC-CQSZACIVSA-N 1 0 314.495 3.165 10 0 DGAERO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2coc3ccccc23)C1 ZINC000397792879 685232446 /nfs/dbraw/zinc/23/24/46/685232446.db2.gz BTHICNRJXSZDHE-UHFFFAOYSA-N 1 0 316.401 3.389 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)o1 ZINC000398966853 685238139 /nfs/dbraw/zinc/23/81/39/685238139.db2.gz RTMFMYAYPULIEK-SMDDNHRTSA-N 1 0 323.437 3.169 10 0 DGAERO Cc1cn2c(C[NH2+]CCOCc3ccccc3)c(C)nc2s1 ZINC000390053360 1176268103 /nfs/dbraw/zinc/26/81/03/1176268103.db2.gz KLBUZXVUSAESEJ-UHFFFAOYSA-N 1 0 315.442 3.319 10 0 DGAERO Clc1ccc2nc(C[NH2+]CCOCc3ccccc3)cn2c1 ZINC000390086349 1176268840 /nfs/dbraw/zinc/26/88/40/1176268840.db2.gz GFXGVCRNSQLJHO-UHFFFAOYSA-N 1 0 315.804 3.294 10 0 DGAERO Cc1n[nH]c(C)c1C[NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000227744844 1176538181 /nfs/dbraw/zinc/53/81/81/1176538181.db2.gz YNNIEDYYTBUXQO-CQSZACIVSA-N 1 0 324.469 3.056 10 0 DGAERO CC(C)CC[NH2+]Cc1cccc(I)c1 ZINC000379482322 1176795347 /nfs/dbraw/zinc/79/53/47/1176795347.db2.gz BHHNBQGODVLEFG-UHFFFAOYSA-N 1 0 303.187 3.427 10 0 DGAERO Clc1cc(Br)cc(C[NH2+]CCN2CCCC2)c1 ZINC000236067451 1176956946 /nfs/dbraw/zinc/95/69/46/1176956946.db2.gz WKEDDWIYEJNUKL-UHFFFAOYSA-N 1 0 317.658 3.288 10 0 DGAERO CCCC[N@H+](C)CCNCc1sccc1Br ZINC000381495722 1176986080 /nfs/dbraw/zinc/98/60/80/1176986080.db2.gz BSVZXAZQERMWND-UHFFFAOYSA-N 1 0 305.285 3.332 10 0 DGAERO COCCOCCCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000134012724 1177018401 /nfs/dbraw/zinc/01/84/01/1177018401.db2.gz MLKWPFQXLUOOKM-UHFFFAOYSA-N 1 0 305.340 3.238 10 0 DGAERO CC(C)C[C@H](C)[NH2+]C[C@@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398671361 1177027648 /nfs/dbraw/zinc/02/76/48/1177027648.db2.gz FBYMWQZQNNRPPC-UONOGXRCSA-N 1 0 302.459 3.492 10 0 DGAERO FC(F)CC[NH2+]Cc1ccc(I)cc1 ZINC000308592746 1177079328 /nfs/dbraw/zinc/07/93/28/1177079328.db2.gz WOGYYBUNHATVEC-UHFFFAOYSA-N 1 0 311.113 3.036 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H](C)O1 ZINC000384600186 1177107419 /nfs/dbraw/zinc/10/74/19/1177107419.db2.gz NONSCPRVVMTRQG-MCIONIFRSA-N 1 0 314.470 3.178 10 0 DGAERO CC[C@@H](C[NH2+]CCC(C)(C)SC)NC(=O)OC(C)(C)C ZINC000385312695 1177160170 /nfs/dbraw/zinc/16/01/70/1177160170.db2.gz NUOLPSXSDPXSRX-LBPRGKRZSA-N 1 0 304.500 3.411 10 0 DGAERO CC(C)[N@H+](C)C[C@@H](C)Nc1cc(Br)ccc1C#N ZINC000385681554 1177181133 /nfs/dbraw/zinc/18/11/33/1177181133.db2.gz GJGUBIXJFVPPFK-LLVKDONJSA-N 1 0 310.239 3.461 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085355645 1177644001 /nfs/dbraw/zinc/64/40/01/1177644001.db2.gz NNSAHVKXMKGTEV-VXGBXAGGSA-N 1 0 311.223 3.214 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000085368079 1177712526 /nfs/dbraw/zinc/71/25/26/1177712526.db2.gz SHRGKYKIAHOPCE-HOTGVXAUSA-N 1 0 306.837 3.349 10 0 DGAERO Nc1c(Cl)cc(Cl)cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000388246846 1178077477 /nfs/dbraw/zinc/07/74/77/1178077477.db2.gz GJAHITZSAITLQK-GFCCVEGCSA-N 1 0 303.233 3.313 10 0 DGAERO C[N@@H+]1CCCC[C@H]1CNCc1cc(F)ccc1Br ZINC000044562627 1194287389 /nfs/dbraw/zinc/28/73/89/1194287389.db2.gz PGZVDJLXUDPWQM-ZDUSSCGKSA-N 1 0 315.230 3.162 10 0 DGAERO C#CCN(C(=O)C1CC[NH+](CC(C)C)CC1)C1CCCCC1 ZINC000065778019 1195458252 /nfs/dbraw/zinc/45/82/52/1195458252.db2.gz KGXLBNKOIGXSNJ-UHFFFAOYSA-N 1 0 304.478 3.149 10 0 DGAERO CC(C)n1nccc1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000065798643 1195460870 /nfs/dbraw/zinc/46/08/70/1195460870.db2.gz SKYCRFRCALCVNU-UHFFFAOYSA-N 1 0 321.469 3.098 10 0 DGAERO c1cnn(CCC[NH2+]Cc2cccc(OCc3ccccn3)c2)c1 ZINC000067186332 1195603713 /nfs/dbraw/zinc/60/37/13/1195603713.db2.gz QAVNMMIUEBOOHN-UHFFFAOYSA-N 1 0 322.412 3.037 10 0 DGAERO c1ccc(OCC2CC2)c(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000067968446 1195686165 /nfs/dbraw/zinc/68/61/65/1195686165.db2.gz GNGNVMAVCDUKHO-MRXNPFEDSA-N 1 0 300.446 3.049 10 0 DGAERO c1ccc(-c2ccc(C[NH2+]CCOC[C@@H]3CCOC3)cc2)cc1 ZINC000068995604 1195764369 /nfs/dbraw/zinc/76/43/69/1195764369.db2.gz ODPFBPPCBWPNAG-GOSISDBHSA-N 1 0 311.425 3.496 10 0 DGAERO C[C@@H](NCc1cccc2cccnc21)c1nnc2ccccn21 ZINC000073449250 1196158838 /nfs/dbraw/zinc/15/88/38/1196158838.db2.gz ISFXZGJCPYUGBL-CYBMUJFWSA-N 1 0 303.369 3.128 10 0 DGAERO O=C(Nc1cccnc1Cl)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075537095 1196396155 /nfs/dbraw/zinc/39/61/55/1196396155.db2.gz DXIUIUAQWHHMPZ-CYBMUJFWSA-N 1 0 322.840 3.121 10 0 DGAERO Fc1cccc(F)c1CC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000079920882 1196997916 /nfs/dbraw/zinc/99/79/16/1196997916.db2.gz IAXZPZBPOROEPA-UHFFFAOYSA-N 1 0 314.339 3.082 10 0 DGAERO Cc1nn(C)c(C)c1CNCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000080206435 1197045568 /nfs/dbraw/zinc/04/55/68/1197045568.db2.gz VELPXWYEBIGYQT-OAHLLOKOSA-N 1 0 314.477 3.037 10 0 DGAERO C[C@@H](CCNCc1cn2ccccc2n1)[N@H+](C)Cc1ccccc1 ZINC000080206512 1197046354 /nfs/dbraw/zinc/04/63/54/1197046354.db2.gz KCDKDZHHUMEOII-KRWDZBQOSA-N 1 0 322.456 3.335 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[NH2+]CCOCc1ccccc1 ZINC000080244502 1197053769 /nfs/dbraw/zinc/05/37/69/1197053769.db2.gz RVCGRJZYYHTCAE-UHFFFAOYSA-N 1 0 307.397 3.383 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000081477439 1197224226 /nfs/dbraw/zinc/22/42/26/1197224226.db2.gz KISMVRHMNCDUBO-OAHLLOKOSA-N 1 0 323.506 3.052 10 0 DGAERO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1cccc(O)c1)C1CC1 ZINC000083456030 1197429873 /nfs/dbraw/zinc/42/98/73/1197429873.db2.gz OUDBPYDYYYVZLR-SFHVURJKSA-N 1 0 320.433 3.175 10 0 DGAERO c1[nH]nc2c1cccc2C[NH2+]CCCN1CCc2ccccc21 ZINC000083999306 1197455623 /nfs/dbraw/zinc/45/56/23/1197455623.db2.gz LLWBXRDVODOKBA-UHFFFAOYSA-N 1 0 306.413 3.105 10 0 DGAERO O[C@@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2Br)C1 ZINC000323655242 1197691117 /nfs/dbraw/zinc/69/11/17/1197691117.db2.gz JWTAJXUTTLSHPG-FWFPMQDGSA-N 1 0 310.235 3.198 10 0 DGAERO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)CCO1 ZINC000388686608 1197698554 /nfs/dbraw/zinc/69/85/54/1197698554.db2.gz JCXOINQTFIYXPE-JQWIXIFHSA-N 1 0 316.214 3.493 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000380952856 1197704062 /nfs/dbraw/zinc/70/40/62/1197704062.db2.gz RZBOILDDWALRKM-QWHCGFSZSA-N 1 0 310.413 3.260 10 0 DGAERO Cc1nn(C)c(Cl)c1C[NH2+]CCCOCc1ccccc1 ZINC000390058364 1197711172 /nfs/dbraw/zinc/71/11/72/1197711172.db2.gz QGNYPBZVTGSHJW-UHFFFAOYSA-N 1 0 307.825 3.078 10 0 DGAERO CCCn1cncc1C[NH2+]C(C)(C)COCc1ccccc1 ZINC000390011696 1197711225 /nfs/dbraw/zinc/71/12/25/1197711225.db2.gz KDDVPIIVHAJBRW-UHFFFAOYSA-N 1 0 301.434 3.378 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCc1ccsc1 ZINC000389855300 1197711799 /nfs/dbraw/zinc/71/17/99/1197711799.db2.gz ZHQXDDWXMBALDX-CRAIPNDOSA-N 1 0 300.471 3.401 10 0 DGAERO C[NH+](C)CC1(Nc2cc(Br)ccc2C#N)CCC1 ZINC000393556377 1197719944 /nfs/dbraw/zinc/71/99/44/1197719944.db2.gz YLEJEBHOGUFRMI-UHFFFAOYSA-N 1 0 308.223 3.217 10 0 DGAERO c1cn(-c2ccccc2)nc1C[NH2+]CCOCc1ccccc1 ZINC000091061544 1198339959 /nfs/dbraw/zinc/33/99/59/1198339959.db2.gz FQWAXMAYDFHEMM-UHFFFAOYSA-N 1 0 307.397 3.179 10 0 DGAERO CO[C@@H](C[NH2+]C[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000400266264 1199348207 /nfs/dbraw/zinc/34/82/07/1199348207.db2.gz KLLBYJBARGPBHQ-MOPGFXCFSA-N 1 0 302.462 3.056 10 0 DGAERO CC(C)SCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401720899 1199416759 /nfs/dbraw/zinc/41/67/59/1199416759.db2.gz JBRXKEQZDZCGPM-ZIAGYGMSSA-N 1 0 316.511 3.363 10 0 DGAERO Brc1cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc2c1OCO2 ZINC000403259436 1199477662 /nfs/dbraw/zinc/47/76/62/1199477662.db2.gz XFTSCMOHUZTNNP-IJLUTSLNSA-N 1 0 324.218 3.456 10 0 DGAERO CC(C)SCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404798919 1199586250 /nfs/dbraw/zinc/58/62/50/1199586250.db2.gz JVIOPQZYRLNYJZ-STQMWFEESA-N 1 0 316.511 3.409 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)F)C12CCC2 ZINC000405360547 1199597913 /nfs/dbraw/zinc/59/79/13/1199597913.db2.gz UAMAXHIPHIRSOT-MNOVXSKESA-N 1 0 304.381 3.067 10 0 DGAERO CCCOc1ccnc(NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000303530324 1199598240 /nfs/dbraw/zinc/59/82/40/1199598240.db2.gz FXMPRGXMPVBFPR-UHFFFAOYSA-N 1 0 314.433 3.199 10 0 DGAERO Cc1nccn1CC[NH2+]Cc1ccc(Br)c(C)c1 ZINC000310638089 1199721982 /nfs/dbraw/zinc/72/19/82/1199721982.db2.gz RSDPRZLQLBCZCC-UHFFFAOYSA-N 1 0 308.223 3.052 10 0 DGAERO Oc1ccc(Br)c(C[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000315235303 1199803230 /nfs/dbraw/zinc/80/32/30/1199803230.db2.gz KVTMGPHNBOGBPF-ZDUSSCGKSA-N 1 0 314.223 3.204 10 0 DGAERO CC[C@@](C)(C[NH2+]C[C@H]1CCCCN1Cc1ccccc1)OC ZINC000319817710 1199841484 /nfs/dbraw/zinc/84/14/84/1199841484.db2.gz HXSICCNHSHGPJZ-MOPGFXCFSA-N 1 0 304.478 3.446 10 0 DGAERO c1oc(-c2ccccc2)nc1C[NH2+]CCCNc1ccccn1 ZINC000119120266 1200025182 /nfs/dbraw/zinc/02/51/82/1200025182.db2.gz YPIGGPWSMDUHJC-UHFFFAOYSA-N 1 0 308.385 3.328 10 0 DGAERO c1cn(-c2ccc(C[NH2+]CCCNc3ccccc3)cc2)cn1 ZINC000124228907 1200333467 /nfs/dbraw/zinc/33/34/67/1200333467.db2.gz XHPCXQXTSXARKR-UHFFFAOYSA-N 1 0 306.413 3.464 10 0 DGAERO CN(Cc1cc(Br)cs1)c1cc[nH+]cc1CO ZINC000126454083 1200544224 /nfs/dbraw/zinc/54/42/24/1200544224.db2.gz ISSNMMQJIOVTBB-UHFFFAOYSA-N 1 0 313.220 3.034 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000131384998 1201151004 /nfs/dbraw/zinc/15/10/04/1201151004.db2.gz FIYXXXVHFWBSIJ-KBXCAEBGSA-N 1 0 310.482 3.009 10 0 DGAERO CC(C)c1csc(NC(=O)c2ccc3c(c2)C[NH2+]CC3)n1 ZINC000211851991 1201158704 /nfs/dbraw/zinc/15/87/04/1201158704.db2.gz SPKUIUMMFSYZMS-UHFFFAOYSA-N 1 0 301.415 3.165 10 0 DGAERO c1cncc(-c2cccc(C[NH2+]CCOC[C@@H]3CCCO3)c2)c1 ZINC000132756877 1201180636 /nfs/dbraw/zinc/18/06/36/1201180636.db2.gz LRLJVFAQIYUBPN-IBGZPJMESA-N 1 0 312.413 3.034 10 0 DGAERO c1nc(C2CC2)sc1C[NH2+]CCN1CCc2ccccc2C1 ZINC000133743168 1201194145 /nfs/dbraw/zinc/19/41/45/1201194145.db2.gz VOWQANIHEMCMCY-UHFFFAOYSA-N 1 0 313.470 3.168 10 0 DGAERO CC(C)N(CCC[NH2+]Cc1cncs1)C(=O)OC(C)(C)C ZINC000136066116 1201208846 /nfs/dbraw/zinc/20/88/46/1201208846.db2.gz HAOYAODOPIMHNP-UHFFFAOYSA-N 1 0 313.467 3.268 10 0 DGAERO CCN(CC[NH2+]Cc1cc(F)cc(Br)c1)C1CC1 ZINC000218451120 1202560145 /nfs/dbraw/zinc/56/01/45/1202560145.db2.gz YUHXDGUGHNRSIY-UHFFFAOYSA-N 1 0 315.230 3.162 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccsc1 ZINC000151438093 1202592397 /nfs/dbraw/zinc/59/23/97/1202592397.db2.gz ZHQXDDWXMBALDX-YJBOKZPZSA-N 1 0 300.471 3.401 10 0 DGAERO COCc1cccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000230654226 1202598579 /nfs/dbraw/zinc/59/85/79/1202598579.db2.gz SMWZCNGTYLAOFV-UHFFFAOYSA-N 1 0 322.449 3.180 10 0 DGAERO CCc1oc2ccccc2c1C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155123616 1202598656 /nfs/dbraw/zinc/59/86/56/1202598656.db2.gz ZYMTTYHOIGTRNM-STQMWFEESA-N 1 0 300.402 3.160 10 0 DGAERO C[N@@H+](Cc1ccc(Br)cc1)CC1CCC(O)CC1 ZINC000258883621 1202603107 /nfs/dbraw/zinc/60/31/07/1202603107.db2.gz JEPKJOMLIOWZGG-UHFFFAOYSA-N 1 0 312.251 3.432 10 0 DGAERO Cc1cccc(CNCC[NH+]2CCCCC2)c1Br ZINC000235891697 1202605017 /nfs/dbraw/zinc/60/50/17/1202605017.db2.gz QNNWPRNLNRVOKG-UHFFFAOYSA-N 1 0 311.267 3.333 10 0 DGAERO c1nc2ccccc2n1CCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000236723773 1202622293 /nfs/dbraw/zinc/62/22/93/1202622293.db2.gz NYOXJOKHBWXXBY-UHFFFAOYSA-N 1 0 305.385 3.093 10 0 DGAERO CN1CCCC[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000161305207 1202674665 /nfs/dbraw/zinc/67/46/65/1202674665.db2.gz QQCPDFRDXPEXRU-LBPRGKRZSA-N 1 0 315.230 3.162 10 0 DGAERO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000184730382 1202818231 /nfs/dbraw/zinc/81/82/31/1202818231.db2.gz AFNGILRTYYUTEB-MRXNPFEDSA-N 1 0 320.440 3.423 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186776412 1202958909 /nfs/dbraw/zinc/95/89/09/1202958909.db2.gz FRESYHWUMQDKBE-RNCFNFMXSA-N 1 0 306.793 3.122 10 0 DGAERO CC[C@@H](COC)[NH2+]Cc1c(F)cc(Br)cc1F ZINC000188703494 1203225708 /nfs/dbraw/zinc/22/57/08/1203225708.db2.gz JQSFJOJOVFNRGG-VIFPVBQESA-N 1 0 308.166 3.242 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3Br)C2)CO1 ZINC000402006305 1203285276 /nfs/dbraw/zinc/28/52/76/1203285276.db2.gz QQJKJCAKXKFFLJ-XVSSEFHLSA-N 1 0 310.235 3.462 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H](C)Cc2ccsc2)C1 ZINC000246116377 1203711668 /nfs/dbraw/zinc/71/16/68/1203711668.db2.gz CNZIWJWFMHWBDM-ZBFHGGJFSA-N 1 0 323.506 3.052 10 0 DGAERO C[C@H](C1CC1)N(C(=O)C[N@@H+](C)[C@@H](C)Cc1ccsc1)C1CC1 ZINC000246189807 1203716370 /nfs/dbraw/zinc/71/63/70/1203716370.db2.gz LKLAEWMMWWRIQJ-UONOGXRCSA-N 1 0 320.502 3.400 10 0 DGAERO CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1C ZINC000172036269 1203860527 /nfs/dbraw/zinc/86/05/27/1203860527.db2.gz RESMDDKHUJIQQL-XEWABKELSA-N 1 0 315.457 3.407 10 0 DGAERO C[C@H](CNC(=O)N(C)[C@H](C)Cc1ccsc1)C[NH+]1CCCC1 ZINC000175974777 1203922512 /nfs/dbraw/zinc/92/25/12/1203922512.db2.gz VSMNFJBQEKZZFP-HUUCEWRRSA-N 1 0 323.506 3.052 10 0 DGAERO CCOc1ccccc1CN(C)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261955625 1204300211 /nfs/dbraw/zinc/30/02/11/1204300211.db2.gz XAODLLLVXDRINQ-QGZVFWFLSA-N 1 0 318.461 3.341 10 0 DGAERO Cc1ccccc1[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262488756 1204322476 /nfs/dbraw/zinc/32/24/76/1204322476.db2.gz HKTMUILJWNESNH-ABSDTBQOSA-N 1 0 312.457 3.091 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccccc1C(F)(F)F ZINC000262552927 1204324754 /nfs/dbraw/zinc/32/47/54/1204324754.db2.gz SUAQXZHRANSELS-CYBMUJFWSA-N 1 0 314.351 3.213 10 0 DGAERO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000262571168 1204326413 /nfs/dbraw/zinc/32/64/13/1204326413.db2.gz XLVCRWJLKRYZTJ-JQWIXIFHSA-N 1 0 315.339 3.344 10 0 DGAERO C/C(=C/C(=O)N1CC[NH+]2CCC1CC2)c1cccc(Cl)c1 ZINC000588562030 1082637653 /nfs/dbraw/zinc/63/76/53/1082637653.db2.gz TYVQZXSHABBHCV-QBFSEMIESA-N 1 0 304.821 3.050 10 0 DGAERO Cc1cccc(-c2noc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)n2)c1 ZINC000152823679 1083910500 /nfs/dbraw/zinc/91/05/00/1083910500.db2.gz SFZSOQNCJJBXAA-HZPDHXFCSA-N 1 0 313.401 3.046 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@]23C[C@H]2CCC3)CN(C(=O)OC(C)(C)C)C1 ZINC000710512199 1085089196 /nfs/dbraw/zinc/08/91/96/1085089196.db2.gz LWLLARMMQMSUFC-BSXFFOKHSA-N 1 0 308.466 3.412 10 0 DGAERO COc1ccc(Br)c(C[NH2+]CCC(C)(C)OC)c1 ZINC000711887133 1085556423 /nfs/dbraw/zinc/55/64/23/1085556423.db2.gz JFMGLFDOLHDBNM-UHFFFAOYSA-N 1 0 316.239 3.362 10 0 DGAERO C[NH+](C)C1(C)CCC(Nc2nc(C(F)(F)F)ns2)CC1 ZINC000715549414 1090644487 /nfs/dbraw/zinc/64/44/87/1090644487.db2.gz UFSDVKYCNLEPMK-UHFFFAOYSA-N 1 0 308.373 3.232 10 0 DGAERO COc1ccc2ccccc2c1C[NH2+]CCC1(C)OCCO1 ZINC000715977357 1091220549 /nfs/dbraw/zinc/22/05/49/1091220549.db2.gz VJZNFEXFPOKUML-UHFFFAOYSA-N 1 0 301.386 3.091 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC000175943620 1093592700 /nfs/dbraw/zinc/59/27/00/1093592700.db2.gz JVBDDKNUHWDYHG-HUUCEWRRSA-N 1 0 323.506 3.195 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ncc[nH]1 ZINC000400446076 1093895155 /nfs/dbraw/zinc/89/51/55/1093895155.db2.gz AUPQARDWEDCWIZ-QWHCGFSZSA-N 1 0 322.453 3.096 10 0 DGAERO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(F)F ZINC000401105479 1093936049 /nfs/dbraw/zinc/93/60/49/1093936049.db2.gz FQMZJRRTOGWNMT-UMSGYPCISA-N 1 0 318.408 3.265 10 0 DGAERO C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CS1 ZINC000401635042 1093960454 /nfs/dbraw/zinc/96/04/54/1093960454.db2.gz CMNNCAZZRQMFTB-RFGFWPKPSA-N 1 0 314.495 3.116 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000401688548 1093965174 /nfs/dbraw/zinc/96/51/74/1093965174.db2.gz YXGIHJNYXIZMTE-YCPHGPKFSA-N 1 0 319.449 3.378 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CCC(C)(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000401724860 1093968412 /nfs/dbraw/zinc/96/84/12/1093968412.db2.gz PRWMWOIWTVODCC-RYUDHWBXSA-N 1 0 306.397 3.267 10 0 DGAERO CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401832097 1093973750 /nfs/dbraw/zinc/97/37/50/1093973750.db2.gz JYIQQVGYHONAMM-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401832093 1093974221 /nfs/dbraw/zinc/97/42/21/1093974221.db2.gz JYIQQVGYHONAMM-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO CC[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)CC(F)(F)F ZINC000402552594 1094032425 /nfs/dbraw/zinc/03/24/25/1094032425.db2.gz FSLQREWDKIVLBG-SSDOTTSWSA-N 1 0 314.149 3.240 10 0 DGAERO c1cn(Cc2ccccc2)nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403696824 1094167575 /nfs/dbraw/zinc/16/75/75/1094167575.db2.gz OZKVYIVQIFYREV-AYHJJNSGSA-N 1 0 313.470 3.448 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccns2)CCCC1 ZINC000404463962 1094258697 /nfs/dbraw/zinc/25/86/97/1094258697.db2.gz VYBUKJRCKRIMJU-UHFFFAOYSA-N 1 0 311.451 3.070 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000404648078 1094264045 /nfs/dbraw/zinc/26/40/45/1094264045.db2.gz PSKOGKFNJMKEGX-RRFJBIMHSA-N 1 0 308.466 3.460 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCCCF)C12CCC2 ZINC000405370319 1094346997 /nfs/dbraw/zinc/34/69/97/1094346997.db2.gz YSCIWMNMVOBLHH-OLZOCXBDSA-N 1 0 300.418 3.162 10 0 DGAERO CCCn1cc(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)cn1 ZINC000405941084 1094459032 /nfs/dbraw/zinc/45/90/32/1094459032.db2.gz UASARXXCOQAPLO-UHFFFAOYSA-N 1 0 324.469 3.076 10 0 DGAERO CCO[C@H]1CCC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)C1 ZINC000721193622 1096820991 /nfs/dbraw/zinc/82/09/91/1096820991.db2.gz JSIRKSKFRSVBKK-GJZGRUSLSA-N 1 0 314.470 3.181 10 0 DGAERO CCC[C@@H](C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)OC ZINC000721846322 1098064970 /nfs/dbraw/zinc/06/49/70/1098064970.db2.gz INCFFABLNCHMKR-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO Cc1coc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC000721901761 1098155372 /nfs/dbraw/zinc/15/53/72/1098155372.db2.gz XRDVBUZSLDQLHR-CQSZACIVSA-N 1 0 308.422 3.323 10 0 DGAERO CNC(=O)c1cccc(C[N@H+](C)[C@@H](C)Cc2ccsc2)c1 ZINC000081599458 1101802785 /nfs/dbraw/zinc/80/27/85/1101802785.db2.gz ZBJYEOPITYQHMA-ZDUSSCGKSA-N 1 0 302.443 3.171 10 0 DGAERO Cc1ccc(C[NH2+]CCn2cccn2)c(C)c1Br ZINC000719558488 1104945815 /nfs/dbraw/zinc/94/58/15/1104945815.db2.gz YRAZOIJIMQBJDS-UHFFFAOYSA-N 1 0 308.223 3.052 10 0 DGAERO CS[C@H](C)C[NH2+]Cc1ccccc1I ZINC000379664663 1108037968 /nfs/dbraw/zinc/03/79/68/1108037968.db2.gz VDLJLJGZVIISIU-SECBINFHSA-N 1 0 321.227 3.132 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2Br)[C@H](C)O1 ZINC000384704571 1108305120 /nfs/dbraw/zinc/30/51/20/1108305120.db2.gz FJKYKELXGOMQFT-PTRXPTGYSA-N 1 0 302.187 3.244 10 0 DGAERO Cn1cc(C[NH2+]CCCOCc2ccccc2)c(C(C)(C)C)n1 ZINC000390080063 1108664668 /nfs/dbraw/zinc/66/46/68/1108664668.db2.gz BDLHAYHDVHOXFM-UHFFFAOYSA-N 1 0 315.461 3.414 10 0 DGAERO CNC(=O)[C@H]([NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)C(C)C ZINC000183211711 290605110 /nfs/dbraw/zinc/60/51/10/290605110.db2.gz ORPLVWGFQMLFGU-TYNCELHUSA-N 1 0 319.474 3.149 10 0 DGAERO CC(=O)N[C@H]1CCC[N@@H+](CCOc2ccc(C(C)C)c(C)c2)C1 ZINC000076707836 185033902 /nfs/dbraw/zinc/03/39/02/185033902.db2.gz ZLOISMDOGCEQQG-KRWDZBQOSA-N 1 0 318.461 3.098 10 0 DGAERO COc1ccccc1[C@H](C)CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000103070004 432002944 /nfs/dbraw/zinc/00/29/44/432002944.db2.gz BPYCXBQWXONRTQ-HZPDHXFCSA-N 1 0 318.461 3.179 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000079253539 185162522 /nfs/dbraw/zinc/16/25/22/185162522.db2.gz TVTWYHAKLPSNFD-CABCVRRESA-N 1 0 321.465 3.128 10 0 DGAERO Cc1nnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000309679447 231102824 /nfs/dbraw/zinc/10/28/24/231102824.db2.gz ABLSRFQYRNUWJU-BZUAXINKSA-N 1 0 314.458 3.169 10 0 DGAERO COCC[C@H](COC)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000311139004 231118961 /nfs/dbraw/zinc/11/89/61/231118961.db2.gz YIDKCCDMHNUJAB-BXUZGUMPSA-N 1 0 316.239 3.151 10 0 DGAERO Brc1cccc2c1ccnc2NC1CC[NH2+]CC1 ZINC000096848575 185389752 /nfs/dbraw/zinc/38/97/52/185389752.db2.gz WHCQTKNTGHPKEQ-UHFFFAOYSA-N 1 0 306.207 3.161 10 0 DGAERO C[NH2+]CCCCc1cc(OC)c(Br)cc1OC ZINC000096889447 185390486 /nfs/dbraw/zinc/39/04/86/185390486.db2.gz BPRFHJOFLFZTCU-UHFFFAOYSA-N 1 0 302.212 3.008 10 0 DGAERO O[C@H](c1ccc(Br)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000083165716 185215621 /nfs/dbraw/zinc/21/56/21/185215621.db2.gz ZERSKFQAGFSWPN-LSDHHAIUSA-N 1 0 306.203 3.388 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C(C)(C)c2ccccc2)CC1 ZINC000129378864 432004541 /nfs/dbraw/zinc/00/45/41/432004541.db2.gz JMRVEEKGDFRFSP-UHFFFAOYSA-N 1 0 302.462 3.201 10 0 DGAERO COc1cc(C(C)(C)CC[NH3+])c(OC)cc1Br ZINC000083256318 185221617 /nfs/dbraw/zinc/22/16/17/185221617.db2.gz MPKGTTDFBGCCJI-UHFFFAOYSA-N 1 0 302.212 3.093 10 0 DGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000088083821 185239148 /nfs/dbraw/zinc/23/91/48/185239148.db2.gz WVSNRHHGFRXXCQ-BDAKNGLRSA-N 1 0 315.186 3.044 10 0 DGAERO C[C@H]1CCc2sc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)cc2C1 ZINC000262006373 290659615 /nfs/dbraw/zinc/65/96/15/290659615.db2.gz NVDGDAAJDXJRHE-NHYWBVRUSA-N 1 0 306.475 3.072 10 0 DGAERO CCc1ccc(CN(C)C(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000444785064 529632741 /nfs/dbraw/zinc/63/27/41/529632741.db2.gz PQIAKMAPJLSDLY-UHFFFAOYSA-N 1 0 300.446 3.226 10 0 DGAERO Fc1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000089952732 185271425 /nfs/dbraw/zinc/27/14/25/185271425.db2.gz HTEITEFRNYEVJA-HUUCEWRRSA-N 1 0 313.413 3.451 10 0 DGAERO C[C@H](CC[NH2+][C@@H](C)c1cccc(Br)c1)[S@](C)=O ZINC000090513591 185300046 /nfs/dbraw/zinc/30/00/46/185300046.db2.gz DAOVLNSQPPDJTO-VGTOOOLASA-N 1 0 318.280 3.257 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(-c2cccnc2)cc1 ZINC000181316677 199280909 /nfs/dbraw/zinc/28/09/09/199280909.db2.gz BGJOZZPGQGNKEV-RHSMWYFYSA-N 1 0 310.397 3.352 10 0 DGAERO CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1 ZINC000103230654 432006007 /nfs/dbraw/zinc/00/60/07/432006007.db2.gz IEHAIEJKDKWRJP-MRXNPFEDSA-N 1 0 315.417 3.231 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc2c1OCCO2 ZINC000092485528 185321773 /nfs/dbraw/zinc/32/17/73/185321773.db2.gz LUJBGKBPOAXTMT-GJZGRUSLSA-N 1 0 303.402 3.231 10 0 DGAERO Cc1cc(Cl)cc(C)c1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647615 185331331 /nfs/dbraw/zinc/33/13/31/185331331.db2.gz UBKYLMWNFJNOLW-UHFFFAOYSA-N 1 0 304.825 3.385 10 0 DGAERO CC(C)(C)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000092709251 185335177 /nfs/dbraw/zinc/33/51/77/185335177.db2.gz MRJATNIKMCAEJK-UHFFFAOYSA-N 1 0 300.406 3.357 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cccnc1 ZINC000092767550 185338964 /nfs/dbraw/zinc/33/89/64/185338964.db2.gz YKGCEQOGQKODEI-GXTWGEPZSA-N 1 0 302.809 3.060 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cccnc1 ZINC000092767552 185339022 /nfs/dbraw/zinc/33/90/22/185339022.db2.gz YKGCEQOGQKODEI-JSGCOSHPSA-N 1 0 302.809 3.060 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000184387280 282263792 /nfs/dbraw/zinc/26/37/92/282263792.db2.gz WACOWKRLOAICED-JTQLQIEISA-N 1 0 320.742 3.135 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)no1 ZINC000092814112 185343113 /nfs/dbraw/zinc/34/31/13/185343113.db2.gz URORHMGFOOHBEM-WPTTZPOMSA-N 1 0 315.392 3.485 10 0 DGAERO Fc1cc(F)cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812412 185343176 /nfs/dbraw/zinc/34/31/76/185343176.db2.gz BEAXYFFPVSHGCM-CYBMUJFWSA-N 1 0 303.356 3.294 10 0 DGAERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](O)COC(C)C)cc1 ZINC000181394846 199290421 /nfs/dbraw/zinc/29/04/21/199290421.db2.gz AMBWQTPQDPVIMW-WBVHZDCISA-N 1 0 309.450 3.158 10 0 DGAERO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181588775 199323261 /nfs/dbraw/zinc/32/32/61/199323261.db2.gz PVCMGSMISJHECY-ZDUSSCGKSA-N 1 0 322.424 3.180 10 0 DGAERO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1cccnc1 ZINC000181632138 199330504 /nfs/dbraw/zinc/33/05/04/199330504.db2.gz BNZQTKVEJIFKTD-NVXWUHKLSA-N 1 0 314.429 3.296 10 0 DGAERO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1nnc(C2CC2)n1C ZINC000181662226 199335117 /nfs/dbraw/zinc/33/51/17/199335117.db2.gz VKONUAGCWFLNDF-MRXNPFEDSA-N 1 0 316.424 3.189 10 0 DGAERO Cc1ccc(C)c(OC2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)c1 ZINC000181656363 199334051 /nfs/dbraw/zinc/33/40/51/199334051.db2.gz HWFSPIOXDBLKJK-OAHLLOKOSA-N 1 0 317.351 3.070 10 0 DGAERO C[N@H+](CCCNC(=O)N1CCCC12CCC2)C1CCCCC1 ZINC000444846854 529889429 /nfs/dbraw/zinc/88/94/29/529889429.db2.gz KAXNDFUFSCDIPY-UHFFFAOYSA-N 1 0 307.482 3.369 10 0 DGAERO C[N@H+](CCCO)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000442964404 529893759 /nfs/dbraw/zinc/89/37/59/529893759.db2.gz INBVLJKRXZLDAS-UHFFFAOYSA-N 1 0 303.377 3.219 10 0 DGAERO O=C(C[N@@H+]1CCC[C@H]1C1CCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000102927378 185426427 /nfs/dbraw/zinc/42/64/27/185426427.db2.gz BAYJWSSUSLGNOX-KBPBESRZSA-N 1 0 318.383 3.052 10 0 DGAERO COc1cc(C[C@@H](C)[NH3+])cc(Br)c1OC(C)C ZINC000037724926 190665253 /nfs/dbraw/zinc/66/52/53/190665253.db2.gz UCMGSJAUIQQUCE-SECBINFHSA-N 1 0 302.212 3.135 10 0 DGAERO CC(C)[NH2+]CCN(C)Cc1ccc(F)cc1Br ZINC000042691134 190671241 /nfs/dbraw/zinc/67/12/41/190671241.db2.gz GQJDPFXABMTMEH-UHFFFAOYSA-N 1 0 303.219 3.018 10 0 DGAERO CC[C@@H]1CN(CCCc2ccccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000181816075 199355924 /nfs/dbraw/zinc/35/59/24/199355924.db2.gz SNEJRNLYZJEYEN-NVXWUHKLSA-N 1 0 324.896 3.050 10 0 DGAERO Cc1ccsc1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230167739 201868847 /nfs/dbraw/zinc/86/88/47/201868847.db2.gz BXQPAPSOYRHMQM-CYBMUJFWSA-N 1 0 310.463 3.403 10 0 DGAERO C[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)[C@@H](C[NH3+])C1 ZINC000235364222 201915097 /nfs/dbraw/zinc/91/50/97/201915097.db2.gz XMHGAJFWPOZUPG-BXUZGUMPSA-N 1 0 307.488 3.431 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000130066716 432014229 /nfs/dbraw/zinc/01/42/29/432014229.db2.gz MMKZFMGCXNMXNG-SYNTWQANSA-N 1 0 306.494 3.439 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000104139998 432014309 /nfs/dbraw/zinc/01/43/09/432014309.db2.gz SOBJADMWPCDVFU-YNEHKIRRSA-N 1 0 306.372 3.098 10 0 DGAERO CC[NH+](CC)CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130136900 432015981 /nfs/dbraw/zinc/01/59/81/432015981.db2.gz SKCLPLRRKNJVMV-INIZCTEOSA-N 1 0 316.445 3.281 10 0 DGAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000119305403 185723392 /nfs/dbraw/zinc/72/33/92/185723392.db2.gz ILLJJTIPADIRCW-LSDHHAIUSA-N 1 0 314.429 3.032 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](O)COCc1ccccc1 ZINC000183355708 199579777 /nfs/dbraw/zinc/57/97/77/199579777.db2.gz ZIUYJYAVUSURSH-ZWOKBUDYSA-N 1 0 313.441 3.346 10 0 DGAERO COc1ccc(-c2noc(C[NH2+][C@H](C)C(C)(C)C)n2)c(OC)c1 ZINC000121534154 185813902 /nfs/dbraw/zinc/81/39/02/185813902.db2.gz UQIOVMIFQXGUOX-LLVKDONJSA-N 1 0 319.405 3.278 10 0 DGAERO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799876 432019586 /nfs/dbraw/zinc/01/95/86/432019586.db2.gz POUXYKRXRVHNBA-SFHVURJKSA-N 1 0 308.429 3.066 10 0 DGAERO Cc1cc(C)cc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000106071803 432020706 /nfs/dbraw/zinc/02/07/06/432020706.db2.gz UJZIITVPLBPWIT-UHFFFAOYSA-N 1 0 310.445 3.114 10 0 DGAERO CCc1cnc(CC[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000130310991 432020756 /nfs/dbraw/zinc/02/07/56/432020756.db2.gz VNAOVZAXZNDDMS-QKVFXAPYSA-N 1 0 322.499 3.336 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(Br)cn1 ZINC000279857590 215185796 /nfs/dbraw/zinc/18/57/96/215185796.db2.gz SGTQDSJWRAKULQ-ONGXEEELSA-N 1 0 301.253 3.390 10 0 DGAERO CC(C)c1nc(NCC2CC[NH2+]CC2)cc(-c2cccnc2)n1 ZINC000070456068 190896300 /nfs/dbraw/zinc/89/63/00/190896300.db2.gz WQNWHRAXYIZYRV-UHFFFAOYSA-N 1 0 311.433 3.074 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[NH+](C)C ZINC000130351437 432022047 /nfs/dbraw/zinc/02/20/47/432022047.db2.gz QXXYELXTEOTADU-GFCCVEGCSA-N 1 0 310.348 3.169 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1Cl ZINC000084061538 192398733 /nfs/dbraw/zinc/39/87/33/192398733.db2.gz VGLKQUMSZIXLIL-KOLCDFICSA-N 1 0 301.217 3.265 10 0 DGAERO CN1C[C@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)CCC1=O ZINC000084062550 192399671 /nfs/dbraw/zinc/39/96/71/192399671.db2.gz JSTFHLMYMDGKAS-YPMHNXCESA-N 1 0 310.850 3.087 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC[N@@H+](C3CC3)CC2)o1 ZINC000149087568 186047593 /nfs/dbraw/zinc/04/75/93/186047593.db2.gz BQGJZALIVOFEPG-BKSCXVJVSA-N 1 0 314.429 3.113 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000171070608 197874628 /nfs/dbraw/zinc/87/46/28/197874628.db2.gz DVRBTXSGUUSEPL-GOSISDBHSA-N 1 0 323.440 3.445 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)sc1Cl ZINC000152413284 186070095 /nfs/dbraw/zinc/07/00/95/186070095.db2.gz WSTKBWZVVJEYEX-SFYZADRCSA-N 1 0 307.246 3.326 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc2c(c1)CCO2 ZINC000177910556 186202887 /nfs/dbraw/zinc/20/28/87/186202887.db2.gz HOUOZQIPVAMNAG-CQSZACIVSA-N 1 0 320.396 3.053 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)OCC(C)C)CC2)o1 ZINC000181916985 186218833 /nfs/dbraw/zinc/21/88/33/186218833.db2.gz HKOVUACSQPZPCJ-CQSZACIVSA-N 1 0 308.422 3.496 10 0 DGAERO Brc1ccc([C@@H]([NH2+]C2CC2)c2cncnc2)cc1 ZINC000186072167 186238577 /nfs/dbraw/zinc/23/85/77/186238577.db2.gz MYPCRDOIFVWDAZ-CQSZACIVSA-N 1 0 304.191 3.081 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccccc2Cl)C1 ZINC000187988034 186239971 /nfs/dbraw/zinc/23/99/71/186239971.db2.gz HRXXPSLLLJXOHP-GUYCJALGSA-N 1 0 324.852 3.152 10 0 DGAERO Cc1ccc(CN(C)C(=O)NCCCCC[NH+]2CCCCC2)o1 ZINC000194239655 186271889 /nfs/dbraw/zinc/27/18/89/186271889.db2.gz TWJQIIUEWRLZMW-UHFFFAOYSA-N 1 0 321.465 3.386 10 0 DGAERO CC(C)(C)n1cc(CNc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000189944275 186253007 /nfs/dbraw/zinc/25/30/07/186253007.db2.gz LOQQQPIUSGUZTO-UHFFFAOYSA-N 1 0 313.449 3.241 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCn1ccnc1 ZINC000237495976 186297132 /nfs/dbraw/zinc/29/71/32/186297132.db2.gz NLYYVYDFZDKZSI-CYBMUJFWSA-N 1 0 309.360 3.095 10 0 DGAERO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H](C)O ZINC000107042216 432026708 /nfs/dbraw/zinc/02/67/08/432026708.db2.gz VPWQYDSIXCHSTM-SNVBAGLBSA-N 1 0 319.232 3.023 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cc(F)ccc1F)CC2 ZINC000171981280 198019773 /nfs/dbraw/zinc/01/97/73/198019773.db2.gz XJVKDRRYHUKDPA-DGCLKSJQSA-N 1 0 320.387 3.345 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)CC2 ZINC000171981291 198020471 /nfs/dbraw/zinc/02/04/71/198020471.db2.gz FQJYNPUGDKKBHN-AAEUAGOBSA-N 1 0 320.387 3.345 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc(F)ccc2s1 ZINC000172060278 198032830 /nfs/dbraw/zinc/03/28/30/198032830.db2.gz RQIVCECPAKZIBY-BXUZGUMPSA-N 1 0 318.417 3.349 10 0 DGAERO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000172170056 198051661 /nfs/dbraw/zinc/05/16/61/198051661.db2.gz BMBLZLGBUXYHAT-STQMWFEESA-N 1 0 317.433 3.140 10 0 DGAERO C[C@H](CNC(=O)c1cccc2ncccc21)[NH+]1CCC(C)CC1 ZINC000067271536 432028577 /nfs/dbraw/zinc/02/85/77/432028577.db2.gz NXURVTAQIXJMNR-OAHLLOKOSA-N 1 0 311.429 3.085 10 0 DGAERO CC(C)Oc1ccc(F)cc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000067296422 432029256 /nfs/dbraw/zinc/02/92/56/432029256.db2.gz NERVUUSZFGMAJS-UHFFFAOYSA-N 1 0 323.412 3.171 10 0 DGAERO COc1c(Br)cccc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000172925150 198167676 /nfs/dbraw/zinc/16/76/76/198167676.db2.gz LJTSGVFHJASSAY-LBPRGKRZSA-N 1 0 314.223 3.069 10 0 DGAERO O=C(C1CCC(c2ccccc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173098662 198185051 /nfs/dbraw/zinc/18/50/51/198185051.db2.gz UECAZEZXZBDYGN-ACBHZAAOSA-N 1 0 312.457 3.267 10 0 DGAERO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000173209120 198196090 /nfs/dbraw/zinc/19/60/90/198196090.db2.gz VMMYDHDOJJMNMY-OXJNMPFZSA-N 1 0 321.424 3.431 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000173465579 198217452 /nfs/dbraw/zinc/21/74/52/198217452.db2.gz WNOPOECGIMJRLR-HUUCEWRRSA-N 1 0 307.438 3.165 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1 ZINC000182056894 199380132 /nfs/dbraw/zinc/38/01/32/199380132.db2.gz KKNPPSKRGXCQKW-OAHLLOKOSA-N 1 0 317.454 3.059 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000107390567 432031813 /nfs/dbraw/zinc/03/18/13/432031813.db2.gz MOPITKOEQVAXCL-HNNXBMFYSA-N 1 0 303.450 3.169 10 0 DGAERO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000174165678 198300224 /nfs/dbraw/zinc/30/02/24/198300224.db2.gz XNTJFXGYBWGXHD-MQVJKMGUSA-N 1 0 301.434 3.440 10 0 DGAERO O=C(c1cccc(F)c1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107526282 432033179 /nfs/dbraw/zinc/03/31/79/432033179.db2.gz CPZOORCYOVXMMZ-CYBMUJFWSA-N 1 0 308.372 3.055 10 0 DGAERO O=C(c1cccc2c1CCC2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107529342 432033113 /nfs/dbraw/zinc/03/31/13/432033113.db2.gz MEUYHNFLZSKYMD-QGZVFWFLSA-N 1 0 312.457 3.266 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000174362233 198324463 /nfs/dbraw/zinc/32/44/63/198324463.db2.gz UVJXLSBACGEISL-BXUZGUMPSA-N 1 0 322.478 3.215 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000174522579 198346721 /nfs/dbraw/zinc/34/67/21/198346721.db2.gz IIZLQVBKHPNOKD-GUYCJALGSA-N 1 0 301.434 3.122 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000174522555 198346779 /nfs/dbraw/zinc/34/67/79/198346779.db2.gz IIZLQVBKHPNOKD-SUMWQHHRSA-N 1 0 301.434 3.122 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(cc(F)cc3C)[nH]2)C1 ZINC000174534029 198348789 /nfs/dbraw/zinc/34/87/89/198348789.db2.gz MHEGHNKOBFCTMU-ZDUSSCGKSA-N 1 0 317.408 3.029 10 0 DGAERO CC(C)[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1F ZINC000182131545 199391443 /nfs/dbraw/zinc/39/14/43/199391443.db2.gz RUWLPXNXDQNAIG-WBMJQRKESA-N 1 0 322.815 3.372 10 0 DGAERO Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000174788861 198385201 /nfs/dbraw/zinc/38/52/01/198385201.db2.gz WYGVNDMPDCNIPN-SOLBZPMBSA-N 1 0 317.477 3.489 10 0 DGAERO Cc1nc(CN2CCC[C@H]2c2cnn(C)c2)nc2ccccc12 ZINC000107897165 432042216 /nfs/dbraw/zinc/04/22/16/432042216.db2.gz PKCUEJCUDWMVKL-KRWDZBQOSA-N 1 0 307.401 3.009 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000107827229 432042315 /nfs/dbraw/zinc/04/23/15/432042315.db2.gz QFNRAKRPJDUPNQ-HOTGVXAUSA-N 1 0 319.449 3.309 10 0 DGAERO CCCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000236815108 202023811 /nfs/dbraw/zinc/02/38/11/202023811.db2.gz NJKRZQSIJLUTHJ-IAGOWNOFSA-N 1 0 320.864 3.434 10 0 DGAERO CCc1nc(-c2ccc(Cl)cc2)nc(N2CC[NH2+]CC2)c1C ZINC000073662861 191338896 /nfs/dbraw/zinc/33/88/96/191338896.db2.gz GOVPULSRACXBHM-UHFFFAOYSA-N 1 0 316.836 3.077 10 0 DGAERO Clc1nc2cc(-c3ccccc3)[nH]c2c(N[C@H]2CC[NH2+]C2)n1 ZINC000073737466 191349000 /nfs/dbraw/zinc/34/90/00/191349000.db2.gz AGMYORHQGCUOFW-NSHDSACASA-N 1 0 313.792 3.052 10 0 DGAERO Clc1ccc(-c2nc(Cl)cc(N[C@H]3CC[NH2+]C3)n2)cc1 ZINC000073737679 191349120 /nfs/dbraw/zinc/34/91/20/191349120.db2.gz BTMQUUAYBGTZLH-NSHDSACASA-N 1 0 309.200 3.224 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000132308456 432047547 /nfs/dbraw/zinc/04/75/47/432047547.db2.gz LWUIAWVLXYHYRY-CJNGLKHVSA-N 1 0 323.868 3.210 10 0 DGAERO CCCN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000236823930 202027133 /nfs/dbraw/zinc/02/71/33/202027133.db2.gz NJKRZQSIJLUTHJ-SJORKVTESA-N 1 0 320.864 3.434 10 0 DGAERO Cc1cnn(CC[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000179212485 432050770 /nfs/dbraw/zinc/05/07/70/432050770.db2.gz YAUMJTPDBCSICD-HNNXBMFYSA-N 1 0 320.234 3.231 10 0 DGAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000079486518 191942486 /nfs/dbraw/zinc/94/24/86/191942486.db2.gz UYCIIPRBSCHKOI-RTBURBONSA-N 1 0 303.446 3.219 10 0 DGAERO CN(CC1CCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179261853 432052106 /nfs/dbraw/zinc/05/21/06/432052106.db2.gz RDNJMPFMUGOELQ-ROUUACIJSA-N 1 0 315.461 3.263 10 0 DGAERO C[C@H](CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000179260928 432052139 /nfs/dbraw/zinc/05/21/39/432052139.db2.gz ATUUZLICRVSWJO-UKRRQHHQSA-N 1 0 322.399 3.155 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](C)Cc3ccccc3)[C@H]2C1 ZINC000132759948 432053734 /nfs/dbraw/zinc/05/37/34/432053734.db2.gz XUEKMJVFIODBHE-YSHGAJCASA-N 1 0 303.446 3.134 10 0 DGAERO Fc1ccc(Br)c2c1CC[C@H]2[NH2+][C@@H]1CCCOC1 ZINC000179316608 432053921 /nfs/dbraw/zinc/05/39/21/432053921.db2.gz UQYPWWWCJOQRAU-NOZJJQNGSA-N 1 0 314.198 3.344 10 0 DGAERO C[C@H](C1CC1)n1nccc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184138995 199678147 /nfs/dbraw/zinc/67/81/47/199678147.db2.gz GDTDMDQSPUUFGB-CYBMUJFWSA-N 1 0 304.438 3.092 10 0 DGAERO Cc1ccc(CC(=O)NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000177437066 198724778 /nfs/dbraw/zinc/72/47/78/198724778.db2.gz ZJFDYLQJUXQKNT-UHFFFAOYSA-N 1 0 306.475 3.122 10 0 DGAERO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C)[C@H](C)CO ZINC000132910685 432055438 /nfs/dbraw/zinc/05/54/38/432055438.db2.gz TWFCGZSEHVITQD-HUUCEWRRSA-N 1 0 315.461 3.276 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(C(=O)CSc2ccccc2C)C1 ZINC000081335112 192251863 /nfs/dbraw/zinc/25/18/63/192251863.db2.gz GAGRBAPRRRJERO-MRXNPFEDSA-N 1 0 320.502 3.277 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000081362618 192256942 /nfs/dbraw/zinc/25/69/42/192256942.db2.gz DIYMYONMMMQVNC-OAHLLOKOSA-N 1 0 318.436 3.048 10 0 DGAERO C[C@@H]1C[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)CCCO1 ZINC000179400988 432057154 /nfs/dbraw/zinc/05/71/54/432057154.db2.gz MXSNMXPFBHLWQE-CYBMUJFWSA-N 1 0 319.836 3.351 10 0 DGAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000179436346 432057914 /nfs/dbraw/zinc/05/79/14/432057914.db2.gz GKXWGBNTOWIPDC-JSGCOSHPSA-N 1 0 316.376 3.172 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000133229107 432059223 /nfs/dbraw/zinc/05/92/23/432059223.db2.gz BILIFLPNFZAEEE-UHFFFAOYSA-N 1 0 315.186 3.044 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)C3([NH3+])CCCC3)C2)n1 ZINC000236873698 202046343 /nfs/dbraw/zinc/04/63/43/202046343.db2.gz SDBALSJHOLVJSE-CYBMUJFWSA-N 1 0 321.490 3.244 10 0 DGAERO CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)sc2C1 ZINC000236943079 202085318 /nfs/dbraw/zinc/08/53/18/202085318.db2.gz VDBYZCAGSMZOFI-GRYCIOLGSA-N 1 0 307.463 3.114 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCc1c(Cl)cccc1Cl ZINC000237070262 202142656 /nfs/dbraw/zinc/14/26/56/202142656.db2.gz OPROWNGBGCDDFH-TVQRCGJNSA-N 1 0 303.233 3.026 10 0 DGAERO CNC(=O)c1cccc(NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000237054268 202136244 /nfs/dbraw/zinc/13/62/44/202136244.db2.gz KAXJMSWPZUDDTA-UHFFFAOYSA-N 1 0 323.440 3.123 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000237090132 202150628 /nfs/dbraw/zinc/15/06/28/202150628.db2.gz XPZICDSMDCOYMG-QGZVFWFLSA-N 1 0 314.429 3.147 10 0 DGAERO C[NH2+]C1CCN(C(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000237107510 202155578 /nfs/dbraw/zinc/15/55/78/202155578.db2.gz SWBPBYIITUDQLQ-UHFFFAOYSA-N 1 0 306.475 3.160 10 0 DGAERO CCc1ccc(CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000237137963 202164660 /nfs/dbraw/zinc/16/46/60/202164660.db2.gz AFDUVSMMZJWTFR-DLBZAZTESA-N 1 0 300.446 3.258 10 0 DGAERO CCc1ccc(C(C)(C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000237150636 202168637 /nfs/dbraw/zinc/16/86/37/202168637.db2.gz IVMISDAGNBEMCP-RDJZCZTQSA-N 1 0 302.462 3.160 10 0 DGAERO COc1ccc([C@H](C)NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1F ZINC000237243966 202203654 /nfs/dbraw/zinc/20/36/54/202203654.db2.gz ZIVMOXZJISOYCR-STQMWFEESA-N 1 0 322.424 3.037 10 0 DGAERO CCC[C@@H](C)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000179674652 432067037 /nfs/dbraw/zinc/06/70/37/432067037.db2.gz APNCCARBYQXZKC-OAHLLOKOSA-N 1 0 306.425 3.410 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000133676168 432068799 /nfs/dbraw/zinc/06/87/99/432068799.db2.gz AOYYMKCVAKCWPD-MRXNPFEDSA-N 1 0 309.498 3.329 10 0 DGAERO Cc1nc(C(=O)NCCCCC[NH+]2CCCCC2)c(C)s1 ZINC000178575806 198890690 /nfs/dbraw/zinc/89/06/90/198890690.db2.gz YBCKWINVGPWDJN-UHFFFAOYSA-N 1 0 309.479 3.146 10 0 DGAERO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)s1 ZINC000179468318 199040897 /nfs/dbraw/zinc/04/08/97/199040897.db2.gz PTUVDCXSTBUJQU-ZDUSSCGKSA-N 1 0 304.463 3.474 10 0 DGAERO COCCOc1ccccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179622927 199066066 /nfs/dbraw/zinc/06/60/66/199066066.db2.gz HCJRQRGXFGJCQY-AWEZNQCLSA-N 1 0 317.351 3.486 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@H](C)CCCOC)CC1 ZINC000179776745 199078910 /nfs/dbraw/zinc/07/89/10/199078910.db2.gz NNUHMHYPDXWXKF-MRXNPFEDSA-N 1 0 305.466 3.056 10 0 DGAERO Cc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1F ZINC000179931422 199096204 /nfs/dbraw/zinc/09/62/04/199096204.db2.gz JQZZXVDZLVYXMH-CQSZACIVSA-N 1 0 305.397 3.226 10 0 DGAERO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@@H]1CCCO1 ZINC000179978213 199102190 /nfs/dbraw/zinc/10/21/90/199102190.db2.gz AJVKDRKYHXQCPZ-IBGZPJMESA-N 1 0 312.413 3.271 10 0 DGAERO C[NH+](C)C1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000179937842 432074505 /nfs/dbraw/zinc/07/45/05/432074505.db2.gz FHTVYPOFBDAJLE-UHFFFAOYSA-N 1 0 318.461 3.168 10 0 DGAERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000180183557 199127496 /nfs/dbraw/zinc/12/74/96/199127496.db2.gz YEUWNTGPARTBCE-GOEBONIOSA-N 1 0 300.427 3.232 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000180190504 199129032 /nfs/dbraw/zinc/12/90/32/199129032.db2.gz KLHHKTWKUFMLDL-HZPDHXFCSA-N 1 0 321.852 3.185 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+]CCCCCS(C)(=O)=O)s1 ZINC000185215960 199825819 /nfs/dbraw/zinc/82/58/19/199825819.db2.gz OQJPFZVVZSXHLA-UHFFFAOYSA-N 1 0 317.520 3.350 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180510761 199169080 /nfs/dbraw/zinc/16/90/80/199169080.db2.gz PTSGLBSVCWZCBI-OLZOCXBDSA-N 1 0 304.463 3.437 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C2CCSCC2)cc1NC(C)=O ZINC000180510994 199169086 /nfs/dbraw/zinc/16/90/86/199169086.db2.gz WTENQEUSIYUNIH-NSHDSACASA-N 1 0 308.447 3.200 10 0 DGAERO CC(C)Sc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180584203 199180114 /nfs/dbraw/zinc/18/01/14/199180114.db2.gz KEKCKJDMXQRNOD-HIFRSBDPSA-N 1 0 316.474 3.444 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000237393415 202253369 /nfs/dbraw/zinc/25/33/69/202253369.db2.gz QUKSOFMRRKTCFV-RISCZKNCSA-N 1 0 321.490 3.451 10 0 DGAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(SC(F)F)cc1 ZINC000180597387 199182451 /nfs/dbraw/zinc/18/24/51/199182451.db2.gz ZGIVQNBNNRCQPT-JQWIXIFHSA-N 1 0 324.400 3.258 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1cccc(CO)c1 ZINC000180014986 432076339 /nfs/dbraw/zinc/07/63/39/432076339.db2.gz OYYCPXDDWSXILD-MAUKXSAKSA-N 1 0 310.441 3.453 10 0 DGAERO COc1cccc([C@H]([NH2+][C@@H](C)CO)c2ccccc2Cl)c1 ZINC000180651834 199190568 /nfs/dbraw/zinc/19/05/68/199190568.db2.gz NVRLJWZFQKMJBI-SJCJKPOMSA-N 1 0 305.805 3.408 10 0 DGAERO COc1cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)ccc1O ZINC000180114208 432078124 /nfs/dbraw/zinc/07/81/24/432078124.db2.gz QZTHIGBKCGEOBU-MJGOQNOKSA-N 1 0 313.397 3.411 10 0 DGAERO COc1cc(C[N@@H+]2CCCC[C@H]2c2cccn2C)ccc1O ZINC000180091955 432078420 /nfs/dbraw/zinc/07/84/20/432078420.db2.gz LNSRUVKNWOBDFC-INIZCTEOSA-N 1 0 300.402 3.467 10 0 DGAERO O=C1C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CN1C1CC1 ZINC000180186429 432081383 /nfs/dbraw/zinc/08/13/83/432081383.db2.gz GHRSWZNITCMMJP-YOEHRIQHSA-N 1 0 304.821 3.144 10 0 DGAERO COC1(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CCC1 ZINC000180192302 432081314 /nfs/dbraw/zinc/08/13/14/432081314.db2.gz GAIRPFLMTRTOLM-AWEZNQCLSA-N 1 0 302.418 3.033 10 0 DGAERO CSCCCC(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000134619344 432082123 /nfs/dbraw/zinc/08/21/23/432082123.db2.gz CLEUGZRILIFELN-UHFFFAOYSA-N 1 0 321.490 3.221 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000180254845 432082244 /nfs/dbraw/zinc/08/22/44/432082244.db2.gz BAWSYSKWEIAMGA-MJGOQNOKSA-N 1 0 316.489 3.343 10 0 DGAERO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170832197 432083062 /nfs/dbraw/zinc/08/30/62/432083062.db2.gz ISDKESLDJRNMPI-UONOGXRCSA-N 1 0 315.417 3.148 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000186684917 199990963 /nfs/dbraw/zinc/99/09/63/199990963.db2.gz MWMYFPZAUOCXLB-UZLBHIALSA-N 1 0 322.452 3.323 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000186778750 200009590 /nfs/dbraw/zinc/00/95/90/200009590.db2.gz MQPAOLPTWHSYAX-GUYCJALGSA-N 1 0 314.454 3.046 10 0 DGAERO C[C@H](NC(=O)Nc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180303008 432083770 /nfs/dbraw/zinc/08/37/70/432083770.db2.gz RVWSQXDDDKDXMU-LSDHHAIUSA-N 1 0 301.434 3.461 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCCNC(=O)c1cccs1)CC2 ZINC000089640814 192832091 /nfs/dbraw/zinc/83/20/91/192832091.db2.gz UBOWMJMTGQYPGE-INIZCTEOSA-N 1 0 314.454 3.454 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733270 192851941 /nfs/dbraw/zinc/85/19/41/192851941.db2.gz JPTCZVRAUHYTPK-XYJFISCASA-N 1 0 310.445 3.227 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)C(C)(C)c1ccccc1F ZINC000187022715 200048856 /nfs/dbraw/zinc/04/88/56/200048856.db2.gz VFDHLXWZYNJMLT-UHFFFAOYSA-N 1 0 306.425 3.046 10 0 DGAERO [NH3+]Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)co1 ZINC000187254906 200083837 /nfs/dbraw/zinc/08/38/37/200083837.db2.gz JMPJDMRXNFZCGH-HNNXBMFYSA-N 1 0 304.777 3.273 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)C12CCOCC2 ZINC000187403676 200107242 /nfs/dbraw/zinc/10/72/42/200107242.db2.gz KDHVFUUZLSLXFJ-YTQUADARSA-N 1 0 317.473 3.429 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000187818042 200161526 /nfs/dbraw/zinc/16/15/26/200161526.db2.gz SEDHCTLNQSZTNV-OAHLLOKOSA-N 1 0 324.428 3.153 10 0 DGAERO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccco3)CCN2C2CC2)c1 ZINC000180379414 432085137 /nfs/dbraw/zinc/08/51/37/432085137.db2.gz VBDMJDIDPJNVBL-OALUTQOASA-N 1 0 312.413 3.356 10 0 DGAERO C[C@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCCc2ccccc21 ZINC000237560043 202283352 /nfs/dbraw/zinc/28/33/52/202283352.db2.gz AOQFEJFAMGEWQH-QUCCMNQESA-N 1 0 308.425 3.097 10 0 DGAERO Cc1c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cccc1OCC(F)(F)F ZINC000237628034 202311268 /nfs/dbraw/zinc/31/12/68/202311268.db2.gz IZFGCOJZMVPMHB-MNOVXSKESA-N 1 0 316.323 3.002 10 0 DGAERO Cc1ccc(CCC2CCN(C(=O)[C@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000237704477 202333685 /nfs/dbraw/zinc/33/36/85/202333685.db2.gz BVKUMGAINCLDKT-RBUKOAKNSA-N 1 0 314.473 3.294 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1OC(F)F ZINC000237700689 202331967 /nfs/dbraw/zinc/33/19/67/202331967.db2.gz MHAAFGASHAIYIQ-UBHSHLNASA-N 1 0 324.371 3.456 10 0 DGAERO [NH3+]C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1CCCCC1 ZINC000262087029 283494231 /nfs/dbraw/zinc/49/42/31/283494231.db2.gz HSAHBJKODCSMCA-MCIONIFRSA-N 1 0 320.399 3.379 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(-c2cccs2)cc1 ZINC000180488781 432088150 /nfs/dbraw/zinc/08/81/50/432088150.db2.gz QHJWSRDBCFESBI-PBHICJAKSA-N 1 0 316.470 3.396 10 0 DGAERO CO[C@H]1C[N@H+](Cc2cccc(SC(=O)N(C)C)c2)CC[C@@H]1C ZINC000189364321 200388071 /nfs/dbraw/zinc/38/80/71/200388071.db2.gz PTAIAIIXXAIMIP-BBRMVZONSA-N 1 0 322.474 3.317 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189324610 200381872 /nfs/dbraw/zinc/38/18/72/200381872.db2.gz MTKMWENJELSMQW-YUELXQCFSA-N 1 0 313.388 3.360 10 0 DGAERO C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cc2ccccc2s1 ZINC000170957166 432088842 /nfs/dbraw/zinc/08/88/42/432088842.db2.gz UMAGHFPMGKSTAG-GXTWGEPZSA-N 1 0 317.458 3.308 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1c3ccccc3C[C@H]1C)CC2 ZINC000180535216 432089182 /nfs/dbraw/zinc/08/91/82/432089182.db2.gz YOZOBWZBVHOYBO-SIIHOXLZSA-N 1 0 310.445 3.239 10 0 DGAERO O=C(C[C@H]1CCCc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000170979882 432090753 /nfs/dbraw/zinc/09/07/53/432090753.db2.gz BWNVOOCMFIZSJU-QGZVFWFLSA-N 1 0 312.457 3.193 10 0 DGAERO CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180581311 432091399 /nfs/dbraw/zinc/09/13/99/432091399.db2.gz HQDJEBWDNBKOFM-QWHCGFSZSA-N 1 0 302.447 3.056 10 0 DGAERO c1cc([C@@H]2CCC[N@H+]2CCC2CCOCC2)cc2c1OCO2 ZINC000432822733 238137656 /nfs/dbraw/zinc/13/76/56/238137656.db2.gz GRAORZLVAIRSHP-INIZCTEOSA-N 1 0 303.402 3.369 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(F)c2C)[C@@H](C)C1 ZINC000246089501 432092245 /nfs/dbraw/zinc/09/22/45/432092245.db2.gz UYJGVKPGMGNZHN-BLLLJJGKSA-N 1 0 307.413 3.328 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc2cc(F)ccc2o1 ZINC000246082564 432092607 /nfs/dbraw/zinc/09/26/07/432092607.db2.gz MZVDEZCIKGLUCO-KBPBESRZSA-N 1 0 303.381 3.026 10 0 DGAERO COc1c(C)cc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1C ZINC000246091262 432092837 /nfs/dbraw/zinc/09/28/37/432092837.db2.gz IOZIWLOQTHSVSZ-RCCFBDPRSA-N 1 0 319.445 3.080 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3ccc(C)cc31)CC2 ZINC000180620987 432092882 /nfs/dbraw/zinc/09/28/82/432092882.db2.gz STZVQWGBSLBQHB-RDJZCZTQSA-N 1 0 310.445 3.131 10 0 DGAERO COCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000434834791 238248870 /nfs/dbraw/zinc/24/88/70/238248870.db2.gz VAWYCSPJHSEDNG-UHFFFAOYSA-N 1 0 311.385 3.318 10 0 DGAERO Cc1cccc(OCC[N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000435125512 238275986 /nfs/dbraw/zinc/27/59/86/238275986.db2.gz XGPTYKFSRRNYLH-UHFFFAOYSA-N 1 0 311.385 3.489 10 0 DGAERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC12CCC2 ZINC000435579593 238321975 /nfs/dbraw/zinc/32/19/75/238321975.db2.gz LYFIAEYWSIRRHH-UHFFFAOYSA-N 1 0 313.445 3.120 10 0 DGAERO CCc1cc(C)c(C(=O)NCCCC[NH+]2CCC(C)CC2)o1 ZINC000135003143 432095292 /nfs/dbraw/zinc/09/52/92/432095292.db2.gz YFWUTLRUOKXYRN-UHFFFAOYSA-N 1 0 306.450 3.392 10 0 DGAERO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc3ccccc32)CCS1 ZINC000246101038 432095595 /nfs/dbraw/zinc/09/55/95/432095595.db2.gz HZDLHVVGOGTFJV-GDBMZVCRSA-N 1 0 317.454 3.017 10 0 DGAERO C[C@H]([NH3+])CCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000193193581 201005577 /nfs/dbraw/zinc/00/55/77/201005577.db2.gz FKKUTBHGNDMYIE-SCLBCKFNSA-N 1 0 300.377 3.159 10 0 DGAERO CCc1ccc(-c2csc(NC(=O)CC[C@H](C)[NH3+])n2)cc1 ZINC000193173441 201002779 /nfs/dbraw/zinc/00/27/79/201002779.db2.gz WVWVWZPEFJOLBW-NSHDSACASA-N 1 0 303.431 3.438 10 0 DGAERO Cc1cc(Sc2ncccn2)ccc1NC(=O)CC[C@@H](C)[NH3+] ZINC000193233112 201010739 /nfs/dbraw/zinc/01/07/39/201010739.db2.gz ZUICLWRUMRDSAT-GFCCVEGCSA-N 1 0 316.430 3.002 10 0 DGAERO CN(Cc1cccnc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268502532 432096103 /nfs/dbraw/zinc/09/61/03/432096103.db2.gz ASNSDKXJIUTQIP-KRWDZBQOSA-N 1 0 315.848 3.441 10 0 DGAERO Cc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccnn1C ZINC000193330038 201030291 /nfs/dbraw/zinc/03/02/91/201030291.db2.gz YRNBCEZIYWANDY-NSHDSACASA-N 1 0 308.223 3.342 10 0 DGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000193540161 201070235 /nfs/dbraw/zinc/07/02/35/201070235.db2.gz VYEOVSOFPDODJY-BXKDBHETSA-N 1 0 318.364 3.169 10 0 DGAERO Fc1cc(C[NH2+]CCN2CCCCC2)ccc1Br ZINC000135056472 432096609 /nfs/dbraw/zinc/09/66/09/432096609.db2.gz OWTXYRPLVMFECN-UHFFFAOYSA-N 1 0 315.230 3.164 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000193564043 201075500 /nfs/dbraw/zinc/07/55/00/201075500.db2.gz YKLSABZQQZZLEK-HNAYVOBHSA-N 1 0 324.424 3.136 10 0 DGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1nc3ccccc3s1)CC2 ZINC000135065531 432096697 /nfs/dbraw/zinc/09/66/97/432096697.db2.gz XERVCVPVQGQZRK-CXAGYDPISA-N 1 0 302.443 3.423 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193901282 201141163 /nfs/dbraw/zinc/14/11/63/201141163.db2.gz SEHUMGVAQGZPQU-UHFFFAOYSA-N 1 0 320.502 3.156 10 0 DGAERO COc1cc(C[NH2+]Cc2cn(C)nc2C(F)(F)F)ccc1C ZINC000194392457 201217536 /nfs/dbraw/zinc/21/75/36/201217536.db2.gz GKLMAZRKQBRMOG-UHFFFAOYSA-N 1 0 313.323 3.046 10 0 DGAERO COc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1Cl ZINC000194428072 201223656 /nfs/dbraw/zinc/22/36/56/201223656.db2.gz PRKVZKSVCMAPEY-CYBMUJFWSA-N 1 0 323.824 3.051 10 0 DGAERO Fc1ccc(C2([NH2+]C[C@@H]3CCC=CO3)CCOCC2)c(F)c1 ZINC000194534472 201245667 /nfs/dbraw/zinc/24/56/67/201245667.db2.gz XLDCCIBDFAHWGY-AWEZNQCLSA-N 1 0 309.356 3.253 10 0 DGAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391672 283690905 /nfs/dbraw/zinc/69/09/05/283690905.db2.gz CVMPJHSZWDDFBP-QWRGUYRKSA-N 1 0 300.805 3.290 10 0 DGAERO C[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443611071 239217200 /nfs/dbraw/zinc/21/72/00/239217200.db2.gz UBAHWGPOJVTZAA-BZPMIXESSA-N 1 0 301.352 3.197 10 0 DGAERO CC(C)OC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000135123485 432099611 /nfs/dbraw/zinc/09/96/11/432099611.db2.gz QFYKWNQTFZOHNE-QAPCUYQASA-N 1 0 318.461 3.166 10 0 DGAERO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCCC23CCC3)c1 ZINC000444778278 239350941 /nfs/dbraw/zinc/35/09/41/239350941.db2.gz VSIBSTNESBBRTG-CQSZACIVSA-N 1 0 309.837 3.407 10 0 DGAERO Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C)s2)o1 ZINC000180780076 432100736 /nfs/dbraw/zinc/10/07/36/432100736.db2.gz RRYPKLFNGWKAEV-LBPRGKRZSA-N 1 0 304.415 3.141 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000246157382 432100783 /nfs/dbraw/zinc/10/07/83/432100783.db2.gz HAAVCKUYTVYWPO-RDJZCZTQSA-N 1 0 316.445 3.281 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)N2CCCC23CCC3)[NH+](C)C)cc1 ZINC000444989210 239378173 /nfs/dbraw/zinc/37/81/73/239378173.db2.gz PTLCOYJFDWLEAQ-QGZVFWFLSA-N 1 0 315.461 3.326 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)C1CCCC1 ZINC000070306520 283736302 /nfs/dbraw/zinc/73/63/02/283736302.db2.gz UBPLWHVFHQSCTQ-DYVFJYSZSA-N 1 0 311.853 3.386 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000171082562 432101200 /nfs/dbraw/zinc/10/12/00/432101200.db2.gz QZIZXZNIYMSJKN-JTQLQIEISA-N 1 0 319.302 3.012 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000246519319 202597969 /nfs/dbraw/zinc/59/79/69/202597969.db2.gz RETWVJRFKDFLPK-FVQBIDKESA-N 1 0 306.837 3.425 10 0 DGAERO CC(C)CCOc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000171082076 432101911 /nfs/dbraw/zinc/10/19/11/432101911.db2.gz OPNKOFSVLPDSPB-INIZCTEOSA-N 1 0 319.449 3.279 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1ccccc1F)CC2 ZINC000180856067 432103360 /nfs/dbraw/zinc/10/33/60/432103360.db2.gz FAUSWQNQPRGQDR-IUODEOHRSA-N 1 0 302.397 3.035 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000449103253 240017599 /nfs/dbraw/zinc/01/75/99/240017599.db2.gz AEKGDTBMSGLMSR-MFKMUULPSA-N 1 0 300.265 3.333 10 0 DGAERO c1cn(Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)cn1 ZINC000449072662 240005234 /nfs/dbraw/zinc/00/52/34/240005234.db2.gz GCAOUWHBEJLHSM-GOSISDBHSA-N 1 0 311.429 3.123 10 0 DGAERO COc1cccc(CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)n1 ZINC000449182040 240054954 /nfs/dbraw/zinc/05/49/54/240054954.db2.gz BMNULMBJQKONHH-ZDUSSCGKSA-N 1 0 322.330 3.327 10 0 DGAERO C[C@@H](C[N@H+](C)C[C@@H]1CC=CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239397 240085551 /nfs/dbraw/zinc/08/55/51/240085551.db2.gz JJCNEROKIYDDMC-JKSUJKDBSA-N 1 0 321.486 3.482 10 0 DGAERO c1cn2c(n1)[C@@H](NCc1ccccc1C[NH+]1CCCCC1)CC2 ZINC000449371741 240160896 /nfs/dbraw/zinc/16/08/96/240160896.db2.gz YFMYOYCAVWQHCC-SFHVURJKSA-N 1 0 310.445 3.104 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCN1CCCO ZINC000449384225 240168442 /nfs/dbraw/zinc/16/84/42/240168442.db2.gz AKBWEQQDPFVTMC-WTQUMQLASA-N 1 0 322.880 3.180 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CSC[C@H]2C)sc1Br ZINC000449403203 240178771 /nfs/dbraw/zinc/17/87/71/240178771.db2.gz VHEBXKCRILRCNP-SVRRBLITSA-N 1 0 307.282 3.055 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@H](C)C2CCC2)c(OC)c1 ZINC000449466599 240221802 /nfs/dbraw/zinc/22/18/02/240221802.db2.gz HUBRJGHKNZWELB-QWHCGFSZSA-N 1 0 307.434 3.422 10 0 DGAERO CC[N@H+](C)[C@H](C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000246190330 432105116 /nfs/dbraw/zinc/10/51/16/432105116.db2.gz IXNCLMDMVSJYAN-HKUYNNGSSA-N 1 0 324.424 3.319 10 0 DGAERO c1cn(-c2csc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)c2)cn1 ZINC000449482702 240235193 /nfs/dbraw/zinc/23/51/93/240235193.db2.gz ZJBSOEOXVLMHRU-CQSZACIVSA-N 1 0 317.458 3.373 10 0 DGAERO c1csc([C@H]2C[C@H]([NH2+]Cc3cnn4ccccc34)CCO2)c1 ZINC000449631705 240332974 /nfs/dbraw/zinc/33/29/74/240332974.db2.gz WTPKZYKUHHNOFI-GDBMZVCRSA-N 1 0 313.426 3.406 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CCC1 ZINC000449738293 240391290 /nfs/dbraw/zinc/39/12/90/240391290.db2.gz ATZNHONPTWXRPN-CJNGLKHVSA-N 1 0 324.262 3.057 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)C1CCC1 ZINC000449738295 240391740 /nfs/dbraw/zinc/39/17/40/240391740.db2.gz ATZNHONPTWXRPN-XJKSGUPXSA-N 1 0 324.262 3.057 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000180926645 432105933 /nfs/dbraw/zinc/10/59/33/432105933.db2.gz MLZSHBXDNHSIDF-UTKZUKDTSA-N 1 0 320.436 3.437 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000449765374 240409235 /nfs/dbraw/zinc/40/92/35/240409235.db2.gz HZZXBRDPGFSQAS-IJEWVQPXSA-N 1 0 309.475 3.395 10 0 DGAERO CCCCOc1ccc(CN2CCC([NH+](C)C)CC2)cc1OC ZINC000091671065 193089727 /nfs/dbraw/zinc/08/97/27/193089727.db2.gz HCYAQCGRHFUDMA-UHFFFAOYSA-N 1 0 320.477 3.400 10 0 DGAERO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccsc3)C2)n1 ZINC000091686575 193091879 /nfs/dbraw/zinc/09/18/79/193091879.db2.gz GBHMLARXCLHUTD-HNNXBMFYSA-N 1 0 315.442 3.302 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)o1 ZINC000091685650 193092015 /nfs/dbraw/zinc/09/20/15/193092015.db2.gz YFRWOQRUTCWAQK-HNNXBMFYSA-N 1 0 313.401 3.142 10 0 DGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000079306333 283877992 /nfs/dbraw/zinc/87/79/92/283877992.db2.gz KPZJGKQNMDVBII-OLZOCXBDSA-N 1 0 322.449 3.048 10 0 DGAERO COc1cc(C[N@@H+]2CCCC[C@@H](SC)C2)cc2c1OCCO2 ZINC000092064062 193151051 /nfs/dbraw/zinc/15/10/51/193151051.db2.gz HIZAVQQKLJTRDR-CQSZACIVSA-N 1 0 323.458 3.184 10 0 DGAERO CC(C)(C[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1)C(N)=O ZINC000451221442 241053543 /nfs/dbraw/zinc/05/35/43/241053543.db2.gz ZDSYQIFXKKMGRU-NJAFHUGGSA-N 1 0 314.473 3.404 10 0 DGAERO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)C(C)C ZINC000451602696 241186848 /nfs/dbraw/zinc/18/68/48/241186848.db2.gz VQWNJVQKIBGEAD-MSOLQXFVSA-N 1 0 307.482 3.377 10 0 DGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000080206064 283894627 /nfs/dbraw/zinc/89/46/27/283894627.db2.gz NXIREVWQEOGCAL-ZYHUDNBSSA-N 1 0 314.223 3.442 10 0 DGAERO C[N@H+](CCC1CC1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000135275326 432109059 /nfs/dbraw/zinc/10/90/59/432109059.db2.gz WDLYDKFWOKYSJC-LBPRGKRZSA-N 1 0 318.244 3.465 10 0 DGAERO COC1([C@H](C)[NH2+]CCC2CC(OC(C)(C)C)C2)CCOCC1 ZINC000453218945 241674424 /nfs/dbraw/zinc/67/44/24/241674424.db2.gz SMHTWEZEDMRINQ-FHERZECASA-N 1 0 313.482 3.144 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc(C)c(F)c2)C1 ZINC000246230565 432110939 /nfs/dbraw/zinc/11/09/39/432110939.db2.gz XFPCIKCAUDDIRU-HUUCEWRRSA-N 1 0 321.440 3.226 10 0 DGAERO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CCCO2 ZINC000454693070 242011694 /nfs/dbraw/zinc/01/16/94/242011694.db2.gz RFNMMHRLMHDYIN-UHFFFAOYSA-N 1 0 319.449 3.254 10 0 DGAERO C[C@H](C[NH2+]CC1(CCO)CC1)c1cccc(Br)c1 ZINC000190001913 432111771 /nfs/dbraw/zinc/11/17/71/432111771.db2.gz XJNSBCZSYKVJEH-GFCCVEGCSA-N 1 0 312.251 3.305 10 0 DGAERO Cc1cccc(CCC[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000181090854 432111769 /nfs/dbraw/zinc/11/17/69/432111769.db2.gz STFONCSVSQEMBG-LJQANCHMSA-N 1 0 324.472 3.318 10 0 DGAERO Cc1ccc(CN(C)C(=O)NCC[N@H+]2CC=C(C)CC2)cc1C ZINC000454788159 242034683 /nfs/dbraw/zinc/03/46/83/242034683.db2.gz OLNAJVIBTSOBOF-UHFFFAOYSA-N 1 0 315.461 3.097 10 0 DGAERO Cc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cccc1N(C)C ZINC000455077171 242102965 /nfs/dbraw/zinc/10/29/65/242102965.db2.gz SWKYIPUWXINJMU-UHFFFAOYSA-N 1 0 318.465 3.057 10 0 DGAERO CCc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)oc1CC ZINC000246249133 432112227 /nfs/dbraw/zinc/11/22/27/432112227.db2.gz HOTUTCVIBQKEKA-CABCVRRESA-N 1 0 304.434 3.103 10 0 DGAERO O=C(NCC1CCCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000455360869 242179978 /nfs/dbraw/zinc/17/99/78/242179978.db2.gz DNIFNYTYFAWZMS-UHFFFAOYSA-N 1 0 307.482 3.273 10 0 DGAERO Cc1cccc(CCC[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000181090878 432112902 /nfs/dbraw/zinc/11/29/02/432112902.db2.gz STFONCSVSQEMBG-IBGZPJMESA-N 1 0 324.472 3.318 10 0 DGAERO CC(=O)c1c(C)cc(C)c(CN2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000246272251 432115073 /nfs/dbraw/zinc/11/50/73/432115073.db2.gz HEYSIJMTQQFOOC-KRWDZBQOSA-N 1 0 300.446 3.094 10 0 DGAERO CC(C)(C[NH+]1CCCC1)NC(=O)CC/C=C\c1ccccc1 ZINC000457049653 242631554 /nfs/dbraw/zinc/63/15/54/242631554.db2.gz KORMWZIHEZYBOL-SDQBBNPISA-N 1 0 300.446 3.471 10 0 DGAERO C[C@@H](CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246290547 432116163 /nfs/dbraw/zinc/11/61/63/432116163.db2.gz OQWNDEAJZVSEBH-WMZOPIPTSA-N 1 0 300.446 3.267 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000101975974 284020850 /nfs/dbraw/zinc/02/08/50/284020850.db2.gz FSUZQCBGZAEDKM-MRXNPFEDSA-N 1 0 323.868 3.431 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc3ccn(C)c32)CC[N@@H+]1C ZINC000190038412 432116310 /nfs/dbraw/zinc/11/63/10/432116310.db2.gz HWDKYMQJTLAKOK-HIFRSBDPSA-N 1 0 314.433 3.125 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000246294473 432116862 /nfs/dbraw/zinc/11/68/62/432116862.db2.gz NNEXQMQJLNKFSG-XHNCKOQMSA-N 1 0 319.207 3.437 10 0 DGAERO CN(C)C[C@@H](Cc1ccccc1)[NH2+]CC1=Cc2ccccc2OC1 ZINC000102423805 284022527 /nfs/dbraw/zinc/02/25/27/284022527.db2.gz AUIFEHOBLMZTPG-HXUWFJFHSA-N 1 0 322.452 3.225 10 0 DGAERO COc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1ccccc1F ZINC000103484724 284031759 /nfs/dbraw/zinc/03/17/59/284031759.db2.gz DLFBQJACDFRPNR-UHFFFAOYSA-N 1 0 316.376 3.298 10 0 DGAERO CSc1ccccc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000092231788 193177339 /nfs/dbraw/zinc/17/73/39/193177339.db2.gz ZBHOYJVBCZURIS-ZFWWWQNUSA-N 1 0 304.459 3.013 10 0 DGAERO O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261704029 284034063 /nfs/dbraw/zinc/03/40/63/284034063.db2.gz OMUSLZISZIBPMX-QNSTZXKLSA-N 1 0 318.383 3.144 10 0 DGAERO CC[N@@H+]1CC[C@H](NCc2ccccc2OC2CCC2)[C@@H](C)C1 ZINC000246294849 432117180 /nfs/dbraw/zinc/11/71/80/432117180.db2.gz CQCWQEQKUONZQF-YJBOKZPZSA-N 1 0 302.462 3.438 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C2CC2)C2CCC2)CC1 ZINC000459154377 243266235 /nfs/dbraw/zinc/26/62/35/243266235.db2.gz OAWKGOSWLOXOJN-GOSISDBHSA-N 1 0 321.509 3.329 10 0 DGAERO CN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)C1CCC1 ZINC000458985420 243218530 /nfs/dbraw/zinc/21/85/30/243218530.db2.gz XPFGZFQGWSKSSF-UHFFFAOYSA-N 1 0 315.461 3.235 10 0 DGAERO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC2CCCCCC2)C1 ZINC000459030007 243232298 /nfs/dbraw/zinc/23/22/98/243232298.db2.gz QWIXSUWAMQIJPE-GOSISDBHSA-N 1 0 321.509 3.330 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(OC)cc2C)CC1 ZINC000108513793 284061796 /nfs/dbraw/zinc/06/17/96/284061796.db2.gz CRIGPRPAXYVLEZ-UHFFFAOYSA-N 1 0 319.449 3.247 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108589084 284062775 /nfs/dbraw/zinc/06/27/75/284062775.db2.gz TZBAXULONQLKTJ-KGLIPLIRSA-N 1 0 323.868 3.384 10 0 DGAERO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459332995 243338613 /nfs/dbraw/zinc/33/86/13/243338613.db2.gz ZSFRYADYXACYEX-NEWSRXKRSA-N 1 0 314.473 3.274 10 0 DGAERO CC(C)C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000109151324 284065334 /nfs/dbraw/zinc/06/53/34/284065334.db2.gz MFTOSTJJZOBKQS-KFWWJZLASA-N 1 0 324.415 3.161 10 0 DGAERO Clc1ccc(COCC[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000459445614 243372231 /nfs/dbraw/zinc/37/22/31/243372231.db2.gz DOUAKSRHYDGYAO-UHFFFAOYSA-N 1 0 308.853 3.073 10 0 DGAERO c1ccc([C@@H]([NH2+]Cc2cnc(C3CC3)nc2)[C@H]2CCOC2)cc1 ZINC000459464937 243380173 /nfs/dbraw/zinc/38/01/73/243380173.db2.gz NFIJPUMRRMVOIJ-ZWKOTPCHSA-N 1 0 309.413 3.221 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000135415151 432117993 /nfs/dbraw/zinc/11/79/93/432117993.db2.gz IEUIKDGHKFKMNH-ZBFHGGJFSA-N 1 0 306.837 3.253 10 0 DGAERO c1ccc2c(c1)CO[C@@]21CCC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459500085 243393417 /nfs/dbraw/zinc/39/34/17/243393417.db2.gz NABIQFDPXJOURJ-HXUWFJFHSA-N 1 0 321.424 3.376 10 0 DGAERO Cn1cncc1CC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000459436237 243368193 /nfs/dbraw/zinc/36/81/93/243368193.db2.gz FRWKDMWJHMRAJZ-UHFFFAOYSA-N 1 0 301.821 3.405 10 0 DGAERO CC[N@H+](CCNC(=O)COc1ccc(C(C)(C)C)cc1)C(C)C ZINC000110420003 284072570 /nfs/dbraw/zinc/07/25/70/284072570.db2.gz HEMUHRYAJPWKAN-UHFFFAOYSA-N 1 0 320.477 3.209 10 0 DGAERO Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000111104142 284076020 /nfs/dbraw/zinc/07/60/20/284076020.db2.gz LJPHDVRTSRVSQZ-KRWDZBQOSA-N 1 0 318.461 3.050 10 0 DGAERO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000112862762 284097648 /nfs/dbraw/zinc/09/76/48/284097648.db2.gz BXZUSAMHYLZBOP-UHFFFAOYSA-N 1 0 323.396 3.361 10 0 DGAERO O=C(N[C@@H]1CCc2cc(Cl)ccc21)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237799646 284104811 /nfs/dbraw/zinc/10/48/11/284104811.db2.gz DRVWPUJUYSZGEF-SJWGOKEGSA-N 1 0 318.848 3.364 10 0 DGAERO COc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000114489027 284108858 /nfs/dbraw/zinc/10/88/58/284108858.db2.gz NWSBEGYHIJIEKB-QGZVFWFLSA-N 1 0 324.424 3.123 10 0 DGAERO C[C@H](CNC(=O)C(C)(C)c1cccs1)[NH+]1CCC(C)CC1 ZINC000115347664 284113381 /nfs/dbraw/zinc/11/33/81/284113381.db2.gz YILHUUWJWLZWOP-CQSZACIVSA-N 1 0 308.491 3.262 10 0 DGAERO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321795 284120965 /nfs/dbraw/zinc/12/09/65/284120965.db2.gz GHFINCSVUWHNDG-ZFWWWQNUSA-N 1 0 323.400 3.021 10 0 DGAERO CN(Cc1ccc(F)cc1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116439045 284121381 /nfs/dbraw/zinc/12/13/81/284121381.db2.gz JQTVATQVXXYLHY-INIZCTEOSA-N 1 0 323.456 3.334 10 0 DGAERO CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000117037480 284122821 /nfs/dbraw/zinc/12/28/21/284122821.db2.gz UJKKRXDFCQEQDO-SJLPKXTDSA-N 1 0 317.477 3.481 10 0 DGAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181273424 432119657 /nfs/dbraw/zinc/11/96/57/432119657.db2.gz AZZBZUANXQQSQP-LSDHHAIUSA-N 1 0 311.429 3.314 10 0 DGAERO O=C1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)CCN1 ZINC000093101456 193202780 /nfs/dbraw/zinc/20/27/80/193202780.db2.gz DRNLQNMKXPWQQQ-UHFFFAOYSA-N 1 0 320.845 3.390 10 0 DGAERO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000470944163 244196429 /nfs/dbraw/zinc/19/64/29/244196429.db2.gz ISRABVRMTSWLII-GWCFXTLKSA-N 1 0 301.308 3.246 10 0 DGAERO C[NH+]1CCC(NC(=O)c2ccc(OC3CCCCC3)cc2)CC1 ZINC000117969636 284126713 /nfs/dbraw/zinc/12/67/13/284126713.db2.gz URBJFFFXPTYVMW-UHFFFAOYSA-N 1 0 316.445 3.222 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)COCC1CC1 ZINC000118991439 284131529 /nfs/dbraw/zinc/13/15/29/284131529.db2.gz APDWZGQQSLSMJM-KMGMULKOSA-N 1 0 309.837 3.120 10 0 DGAERO CCC[N@@H+](Cc1c(CC)nn(C)c1CC)C[C@@H]1CCCCO1 ZINC000093132550 193205885 /nfs/dbraw/zinc/20/58/85/193205885.db2.gz DJOGMTXHQQQOEM-HNNXBMFYSA-N 1 0 307.482 3.326 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000471791310 244246146 /nfs/dbraw/zinc/24/61/46/244246146.db2.gz WORKKFOEDFURAI-HUUCEWRRSA-N 1 0 310.388 3.091 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000471785980 244247062 /nfs/dbraw/zinc/24/70/62/244247062.db2.gz GSWRFUPADNCOMR-IAOVAPTHSA-N 1 0 319.449 3.435 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000262157808 203214693 /nfs/dbraw/zinc/21/46/93/203214693.db2.gz UBNPNHAGNLZFKS-HIFRSBDPSA-N 1 0 316.367 3.184 10 0 DGAERO Cn1cccc1[C@H]1CCCC[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000472331432 244298127 /nfs/dbraw/zinc/29/81/27/244298127.db2.gz XTYAZAGKLZKIBI-XMSQKQJNSA-N 1 0 316.470 3.360 10 0 DGAERO C[C@@H](C[NH2+][C@H](c1ccccc1)C1CCCC1)CS(C)(=O)=O ZINC000119092188 284134224 /nfs/dbraw/zinc/13/42/24/284134224.db2.gz XRIWQXJWUQBEAE-WMLDXEAASA-N 1 0 309.475 3.188 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CCC(C)(C)CC3)CC[C@@H]21 ZINC000119109868 284134704 /nfs/dbraw/zinc/13/47/04/284134704.db2.gz IAMMIHHBBGMELT-ZBFHGGJFSA-N 1 0 307.482 3.081 10 0 DGAERO CC(C)[C@@H](C[N@@H+]1CCCN(c2cccnn2)CC1)c1ccccc1 ZINC000474258828 244382410 /nfs/dbraw/zinc/38/24/10/244382410.db2.gz LONZZNXGBMXKKO-LJQANCHMSA-N 1 0 324.472 3.429 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3ncccc3C)C2)c1 ZINC000093188374 193212412 /nfs/dbraw/zinc/21/24/12/193212412.db2.gz KOCDVYRHFCCTLL-OAHLLOKOSA-N 1 0 312.413 3.397 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)CCCc1ccc(F)c(F)c1 ZINC000119709530 284149926 /nfs/dbraw/zinc/14/99/26/284149926.db2.gz RTEXTGKIRZHRAN-CQSZACIVSA-N 1 0 324.415 3.278 10 0 DGAERO Cc1ccc(N2CCC[N@H+](CC3CCCCCC3)CC2)nn1 ZINC000120141424 284161761 /nfs/dbraw/zinc/16/17/61/284161761.db2.gz BZGHCITWCHKHOC-UHFFFAOYSA-N 1 0 302.466 3.268 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000120050177 284159967 /nfs/dbraw/zinc/15/99/67/284159967.db2.gz XBGSCSWUWRWORS-ODIFPOPNSA-N 1 0 310.482 3.009 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000093437298 193251193 /nfs/dbraw/zinc/25/11/93/193251193.db2.gz OCPAJLJWJKGCRK-DGCLKSJQSA-N 1 0 314.351 3.096 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(-c2cccnc2)c1 ZINC000093437428 193251693 /nfs/dbraw/zinc/25/16/93/193251693.db2.gz JJNVOTDLYRKWTD-OXQOHEQNSA-N 1 0 307.441 3.417 10 0 DGAERO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)ccc1-n1cncn1 ZINC000093437946 193251914 /nfs/dbraw/zinc/25/19/14/193251914.db2.gz NLCSDGXEBGGAGS-GOSISDBHSA-N 1 0 322.416 3.026 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1Cc1c(C)nn(CCC(=O)OC)c1C ZINC000093530183 193265691 /nfs/dbraw/zinc/26/56/91/193265691.db2.gz MGEANQUADYDWBC-INIZCTEOSA-N 1 0 321.465 3.218 10 0 DGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cc(-c3ccccc3)n[nH]1)CC2 ZINC000093586213 193269468 /nfs/dbraw/zinc/26/94/68/193269468.db2.gz PPUYAOONHMQEFX-APWZRJJASA-N 1 0 311.429 3.204 10 0 DGAERO CNC(=O)CC1CC[NH+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000093588299 193271085 /nfs/dbraw/zinc/27/10/85/193271085.db2.gz VRPGOYHZYSGEOG-UHFFFAOYSA-N 1 0 308.491 3.394 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000093639834 193278514 /nfs/dbraw/zinc/27/85/14/193278514.db2.gz UOAKFGXKTCORNF-DNVCBOLYSA-N 1 0 312.461 3.239 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccc(NC(C)=O)cc1 ZINC000093764527 193301762 /nfs/dbraw/zinc/30/17/62/193301762.db2.gz WBKUHFVMJQPBHC-UHFFFAOYSA-N 1 0 303.431 3.166 10 0 DGAERO CCOC(=O)c1ccc(C[N@H+](CCc2nccs2)C(C)C)o1 ZINC000093764333 193302111 /nfs/dbraw/zinc/30/21/11/193302111.db2.gz CIRDQSCAQDTSLE-UHFFFAOYSA-N 1 0 322.430 3.366 10 0 DGAERO CC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)CCN1CC(F)F ZINC000093767315 193302376 /nfs/dbraw/zinc/30/23/76/193302376.db2.gz JADZSIAMHPCPFP-CQSZACIVSA-N 1 0 307.388 3.329 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2c(F)cccc2N2CCCC2)CC[N@@H+]1C ZINC000093645016 193281377 /nfs/dbraw/zinc/28/13/77/193281377.db2.gz KVFGPPBWRWHDSS-HOTGVXAUSA-N 1 0 319.468 3.340 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CCN1C ZINC000093644376 193281709 /nfs/dbraw/zinc/28/17/09/193281709.db2.gz UHOACUQWNWMOFW-DZGCQCFKSA-N 1 0 316.424 3.130 10 0 DGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CCN1C ZINC000093644468 193282273 /nfs/dbraw/zinc/28/22/73/193282273.db2.gz ANXXWZAZTZOPKH-GUYCJALGSA-N 1 0 316.424 3.130 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC(F)F)cc2)CCN1C ZINC000093643966 193282650 /nfs/dbraw/zinc/28/26/50/193282650.db2.gz KGKCIACNKZLUGA-DZGCQCFKSA-N 1 0 312.404 3.245 10 0 DGAERO COc1c(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c(C)nn1C ZINC000093668277 193286991 /nfs/dbraw/zinc/28/69/91/193286991.db2.gz IBOUZUQAJBWFMF-RHSMWYFYSA-N 1 0 313.445 3.363 10 0 DGAERO CC[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(N3CCOCC3)n2)C1 ZINC000479603529 244667697 /nfs/dbraw/zinc/66/76/97/244667697.db2.gz QZUGJUIONHBRLB-SJORKVTESA-N 1 0 317.477 3.224 10 0 DGAERO COc1cc(C[N@@H+]2CCS[C@H](C(C)C)C2)cc2c1OCCO2 ZINC000093869157 193321172 /nfs/dbraw/zinc/32/11/72/193321172.db2.gz DFWQHCNTKAYOFR-INIZCTEOSA-N 1 0 323.458 3.040 10 0 DGAERO CCC[N@@H+](CC(=O)N1CCCC[C@H]1CC)C[C@@H]1CCCCO1 ZINC000246351378 432121057 /nfs/dbraw/zinc/12/10/57/432121057.db2.gz NMBASBUYPIXSAJ-SJORKVTESA-N 1 0 310.482 3.059 10 0 DGAERO CCC[C@@H](C(=O)Nc1cc(Br)ccc1F)[NH+](C)C ZINC000094034091 193340042 /nfs/dbraw/zinc/34/00/42/193340042.db2.gz QQHPLLOAXGTDQO-LBPRGKRZSA-N 1 0 317.202 3.257 10 0 DGAERO Fc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c(F)c1 ZINC000094371627 193366602 /nfs/dbraw/zinc/36/66/02/193366602.db2.gz QMEGBWBMVXLSGH-AWEZNQCLSA-N 1 0 313.413 3.499 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC000246342591 432121265 /nfs/dbraw/zinc/12/12/65/432121265.db2.gz UXUDASVLPAFTRX-CWHQUEMWSA-N 1 0 309.498 3.231 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C(C)=C/c2ccccc2)C[C@@H]1C ZINC000120887353 284180717 /nfs/dbraw/zinc/18/07/17/284180717.db2.gz MPMYVZHZRUJYEM-UMADGWCESA-N 1 0 302.462 3.133 10 0 DGAERO CC[C@H]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000120779876 284178153 /nfs/dbraw/zinc/17/81/53/284178153.db2.gz QFQQPWRTWTVZTN-ZGRYLRDCSA-N 1 0 309.498 3.375 10 0 DGAERO Fc1cc(C[NH2+]CC2CCOCC2)ccc1Br ZINC000094722702 193393605 /nfs/dbraw/zinc/39/36/05/193393605.db2.gz ZTUOSHXFBZYWHG-UHFFFAOYSA-N 1 0 302.187 3.104 10 0 DGAERO CCc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246347167 432121559 /nfs/dbraw/zinc/12/15/59/432121559.db2.gz NQUYGJITBGCLNX-SWLSCSKDSA-N 1 0 307.413 3.335 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)CC2 ZINC000246346356 432121651 /nfs/dbraw/zinc/12/16/51/432121651.db2.gz HGSUXCNISDLPKC-OLMNPRSZSA-N 1 0 319.470 3.327 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCC1CCC1)c1ccc(-c2cccnc2)cc1 ZINC000181303196 432121802 /nfs/dbraw/zinc/12/18/02/432121802.db2.gz PRQFLKFLOPSXHQ-OAHLLOKOSA-N 1 0 323.440 3.316 10 0 DGAERO CC([NH2+]C[C@@H](O)C(F)(F)F)(c1ccccc1)c1ccccc1 ZINC000121936802 284209363 /nfs/dbraw/zinc/20/93/63/284209363.db2.gz NTXIWQCBVXKJNA-OAHLLOKOSA-N 1 0 309.331 3.463 10 0 DGAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000486988263 245008693 /nfs/dbraw/zinc/00/86/93/245008693.db2.gz IKLDLMCYVUILFV-IWIIMEHWSA-N 1 0 300.244 3.097 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000487281935 245045709 /nfs/dbraw/zinc/04/57/09/245045709.db2.gz UADYMIWNQFMINT-PWSUYJOCSA-N 1 0 314.271 3.487 10 0 DGAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000123113238 284232513 /nfs/dbraw/zinc/23/25/13/284232513.db2.gz KRGDJDXXODTUFX-CABCVRRESA-N 1 0 308.466 3.331 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c(OC)c1 ZINC000123111246 284232574 /nfs/dbraw/zinc/23/25/74/284232574.db2.gz ICCNKEHKDBMDMF-HUUCEWRRSA-N 1 0 308.466 3.331 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c(OC)c1 ZINC000123110573 284232606 /nfs/dbraw/zinc/23/26/06/284232606.db2.gz ICCNKEHKDBMDMF-GJZGRUSLSA-N 1 0 308.466 3.331 10 0 DGAERO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000123294172 284235706 /nfs/dbraw/zinc/23/57/06/284235706.db2.gz MOOANJVHFKCYMD-VXGBXAGGSA-N 1 0 317.260 3.365 10 0 DGAERO COCCCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181304967 432122953 /nfs/dbraw/zinc/12/29/53/432122953.db2.gz IPWXMPMRDXWQOC-INIZCTEOSA-N 1 0 314.433 3.078 10 0 DGAERO COc1ccc(-c2nc(C[N@@H+]3CC[C@H](CO)[C@H]3C)cs2)cc1 ZINC000488719692 245223493 /nfs/dbraw/zinc/22/34/93/245223493.db2.gz ODWJBASVXBWSLL-TZMCWYRMSA-N 1 0 318.442 3.021 10 0 DGAERO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000488803123 245235158 /nfs/dbraw/zinc/23/51/58/245235158.db2.gz PCEAVIOTRDZDOE-DOTOQJQBSA-N 1 0 321.424 3.204 10 0 DGAERO C[C@H]1[C@H](CO)CC[N@@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000488809067 245235938 /nfs/dbraw/zinc/23/59/38/245235938.db2.gz SMEODCRAAXEHIP-HOTGVXAUSA-N 1 0 305.462 3.456 10 0 DGAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000488809068 245236772 /nfs/dbraw/zinc/23/67/72/245236772.db2.gz SMEODCRAAXEHIP-HZPDHXFCSA-N 1 0 305.462 3.456 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccc(F)cc1 ZINC000124236673 284255233 /nfs/dbraw/zinc/25/52/33/284255233.db2.gz JYACTYCAHCAJBY-QGZVFWFLSA-N 1 0 321.440 3.088 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C3CCC3)cc2)C1 ZINC000489810919 245350000 /nfs/dbraw/zinc/35/00/00/245350000.db2.gz XQGZVYGXMAFPTO-CQSZACIVSA-N 1 0 301.434 3.417 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000124283997 284256225 /nfs/dbraw/zinc/25/62/25/284256225.db2.gz ZVZAWCXLELUFMZ-HXUWFJFHSA-N 1 0 311.473 3.499 10 0 DGAERO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)N(C)CC3CC3)C2)cc1 ZINC000490027191 245374938 /nfs/dbraw/zinc/37/49/38/245374938.db2.gz AFCFBJBYQHWFIB-MAUKXSAKSA-N 1 0 300.446 3.041 10 0 DGAERO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCCCC[NH+](C)C ZINC000490040713 245377012 /nfs/dbraw/zinc/37/70/12/245377012.db2.gz DUMLZHPIWWDYSR-HZPDHXFCSA-N 1 0 302.462 3.434 10 0 DGAERO COc1cc(Cl)cc(C[NH2+]CCO)c1OCc1ccccc1 ZINC000010473819 181672015 /nfs/dbraw/zinc/67/20/15/181672015.db2.gz RSHNQLIPJROCMH-UHFFFAOYSA-N 1 0 321.804 3.010 10 0 DGAERO C[C@H]1CCCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125302820 284273240 /nfs/dbraw/zinc/27/32/40/284273240.db2.gz ZJHGIGUVYHGSMH-SOEBMCCKSA-N 1 0 309.498 3.232 10 0 DGAERO C[C@@H]1CCCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125302581 284272984 /nfs/dbraw/zinc/27/29/84/284272984.db2.gz ZJHGIGUVYHGSMH-GYXIZQIFSA-N 1 0 309.498 3.232 10 0 DGAERO CCc1cc(C)c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000125401022 284275242 /nfs/dbraw/zinc/27/52/42/284275242.db2.gz LKGPELUWEFFDPL-HNNXBMFYSA-N 1 0 314.429 3.401 10 0 DGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000246384045 432125071 /nfs/dbraw/zinc/12/50/71/432125071.db2.gz QSYRJBJVZCUOKJ-HUUCEWRRSA-N 1 0 307.438 3.022 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C)c(F)cc1Cl ZINC000126384411 284302823 /nfs/dbraw/zinc/30/28/23/284302823.db2.gz CVASJJMDNYGBIS-LLVKDONJSA-N 1 0 300.805 3.248 10 0 DGAERO CC[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1CC)c1nccs1 ZINC000126559607 284308931 /nfs/dbraw/zinc/30/89/31/284308931.db2.gz SXGZJRQZPZCVGM-KGLIPLIRSA-N 1 0 324.494 3.158 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCC(C)CC2)cc1F ZINC000126617120 284311651 /nfs/dbraw/zinc/31/16/51/284311651.db2.gz AXLXIWXSEILCOO-HUUCEWRRSA-N 1 0 306.425 3.432 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)NCCC1=CCCC1)c1cccc(F)c1 ZINC000126784501 284316633 /nfs/dbraw/zinc/31/66/33/284316633.db2.gz XVQALSRYAACHQD-KRWDZBQOSA-N 1 0 319.424 3.228 10 0 DGAERO Cc1cc(N2CCC(Nc3cccnn3)CC2)c2ccccc2[nH+]1 ZINC000266384720 205308706 /nfs/dbraw/zinc/30/87/06/205308706.db2.gz NGPPIXZQBQVLBG-UHFFFAOYSA-N 1 0 319.412 3.414 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000128340083 284371851 /nfs/dbraw/zinc/37/18/51/284371851.db2.gz FRCSHMKEPUXUEC-GOSISDBHSA-N 1 0 323.444 3.072 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1)[NH+](C)C ZINC000128315795 284371014 /nfs/dbraw/zinc/37/10/14/284371014.db2.gz QFPULKKUBDEWMZ-MRXNPFEDSA-N 1 0 314.433 3.499 10 0 DGAERO CC[N@H+](CC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)C1CC1 ZINC000246309923 284391218 /nfs/dbraw/zinc/39/12/18/284391218.db2.gz QMTZKGQLEARQKK-DYVFJYSZSA-N 1 0 304.409 3.220 10 0 DGAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000019436123 182123143 /nfs/dbraw/zinc/12/31/43/182123143.db2.gz XSBJDLJTQQMLNG-JMSVASOKSA-N 1 0 311.267 3.427 10 0 DGAERO CCCCC[NH+]1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000019364940 182118803 /nfs/dbraw/zinc/11/88/03/182118803.db2.gz LCIFSHKQJNPIBV-KRWDZBQOSA-N 1 0 310.869 3.181 10 0 DGAERO [NH3+][C@H](c1ccc(Br)cc1)[C@@H]1COc2ccccc2O1 ZINC000019511093 182126753 /nfs/dbraw/zinc/12/67/53/182126753.db2.gz XYUMPGPHIKLPMK-LSDHHAIUSA-N 1 0 320.186 3.289 10 0 DGAERO NC(=[NH2+])c1ccccc1OCc1cccc(Br)c1 ZINC000019441205 182123276 /nfs/dbraw/zinc/12/32/76/182123276.db2.gz JHLSDQGNIVWRIL-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO NC(=[NH2+])c1ccc(COc2cccc(Br)c2)c(F)c1 ZINC000019487518 182125086 /nfs/dbraw/zinc/12/50/86/182125086.db2.gz WDJNLWZTJCGRLQ-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO CC[C@@H](NC(=O)N(CC)CCC[NH+]1CCCC1)c1nccs1 ZINC000190182455 432130602 /nfs/dbraw/zinc/13/06/02/432130602.db2.gz FOPATHIMRHZRAD-CQSZACIVSA-N 1 0 324.494 3.112 10 0 DGAERO NC(=[NH2+])c1cccc(OCc2ccc(F)cc2Br)c1 ZINC000019484651 182125289 /nfs/dbraw/zinc/12/52/89/182125289.db2.gz LXWHTAKVZVGWSJ-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](CCOc3cccc(C)c3)C2)no1 ZINC000171408249 432131258 /nfs/dbraw/zinc/13/12/58/432131258.db2.gz ZCYLQBYSQFUOQB-MRXNPFEDSA-N 1 0 315.417 3.020 10 0 DGAERO CC1(C)C[N@H+](CCC(=O)NC2CCCC2)CC[C@H]1C(F)(F)F ZINC000190203787 432131460 /nfs/dbraw/zinc/13/14/60/432131460.db2.gz BGZWKCSCWIXFDW-CYBMUJFWSA-N 1 0 320.399 3.346 10 0 DGAERO C[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1ccccc1Br ZINC000019946816 182169453 /nfs/dbraw/zinc/16/94/53/182169453.db2.gz HYUOMEYEBYSUMG-ABAIWWIYSA-N 1 0 309.251 3.194 10 0 DGAERO Cc1sc2nc(C[N@H+]3CC[C@@H](C(C)C)C3)nc(N)c2c1C ZINC000135667935 432131860 /nfs/dbraw/zinc/13/18/60/432131860.db2.gz CCALUDIDVMYILL-GFCCVEGCSA-N 1 0 304.463 3.368 10 0 DGAERO OCC[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)C1CCCCC1 ZINC000181495399 432132002 /nfs/dbraw/zinc/13/20/02/432132002.db2.gz XVDCCIOMZNKORC-CQSZACIVSA-N 1 0 306.381 3.388 10 0 DGAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000020226472 182198770 /nfs/dbraw/zinc/19/87/70/182198770.db2.gz CODRHJNUBVWJDN-SFHVURJKSA-N 1 0 314.429 3.226 10 0 DGAERO COc1ccccc1[C@H](C[NH3+])N(C)Cc1cccc(Cl)c1 ZINC000020225763 182198816 /nfs/dbraw/zinc/19/88/16/182198816.db2.gz LFSOTAZTAXMWND-INIZCTEOSA-N 1 0 304.821 3.480 10 0 DGAERO COc1ccccc1[C@H](C[NH3+])N(C)Cc1ccccc1Cl ZINC000020225761 182198961 /nfs/dbraw/zinc/19/89/61/182198961.db2.gz HLVMWLBOJDSYBD-INIZCTEOSA-N 1 0 304.821 3.480 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c(Cl)c1 ZINC000020471396 182221413 /nfs/dbraw/zinc/22/14/13/182221413.db2.gz DCXMJWDECUOXBZ-MRXNPFEDSA-N 1 0 300.789 3.301 10 0 DGAERO CC(C)CC[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)C(C)(C)C ZINC000130023530 284430287 /nfs/dbraw/zinc/43/02/87/284430287.db2.gz OFVQGJURZHGPIH-CVEARBPZSA-N 1 0 311.514 3.430 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2cc3ccccc3o2)CC1 ZINC000130170057 284435093 /nfs/dbraw/zinc/43/50/93/284435093.db2.gz VQQLYXUOMGNOFF-UHFFFAOYSA-N 1 0 300.402 3.283 10 0 DGAERO C[C@H](OC1CCCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130241652 284436929 /nfs/dbraw/zinc/43/69/29/284436929.db2.gz URKWXCXFDJXYOZ-GTPINHCMSA-N 1 0 324.509 3.351 10 0 DGAERO CSCCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000134582924 284444349 /nfs/dbraw/zinc/44/43/49/284444349.db2.gz UBOYJYHGFVJQEH-UHFFFAOYSA-N 1 0 306.475 3.042 10 0 DGAERO CN(C)[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)c1ccco1 ZINC000493887644 246092128 /nfs/dbraw/zinc/09/21/28/246092128.db2.gz GMCOATKHZIOCSA-ABHNRTSZSA-N 1 0 314.429 3.220 10 0 DGAERO CC[NH+](CC)[C@H](C)C(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000021805258 182291283 /nfs/dbraw/zinc/29/12/83/182291283.db2.gz XFGIUZFSJMNVJL-MRVPVSSYSA-N 1 0 304.221 3.244 10 0 DGAERO c1ccc(COC2CC([NH2+]CCc3cnc(C4CC4)nc3)C2)cc1 ZINC000494591072 246168594 /nfs/dbraw/zinc/16/85/94/246168594.db2.gz ICTKSSNLCVPIMG-UHFFFAOYSA-N 1 0 323.440 3.234 10 0 DGAERO CC1CCN([C@@H](C[NH3+])c2ccc(F)c(Br)c2)CC1 ZINC000022210062 182313481 /nfs/dbraw/zinc/31/34/81/182313481.db2.gz IOGDCGPEWAWXDX-AWEZNQCLSA-N 1 0 315.230 3.320 10 0 DGAERO [NH3+]C[C@H](c1ccc(Br)o1)N1CCc2ccccc21 ZINC000022221415 182313574 /nfs/dbraw/zinc/31/35/74/182313574.db2.gz FZEALFLDYCMLAS-GFCCVEGCSA-N 1 0 307.191 3.105 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000494690775 246182407 /nfs/dbraw/zinc/18/24/07/246182407.db2.gz MEIZDPDQLMJNFB-QGZVFWFLSA-N 1 0 305.418 3.095 10 0 DGAERO CC[NH+](CC)[C@H](C(=O)NCCc1ccsc1)c1ccccc1 ZINC000171450671 432134554 /nfs/dbraw/zinc/13/45/54/432134554.db2.gz AVLYZKDUAVNVKX-KRWDZBQOSA-N 1 0 316.470 3.490 10 0 DGAERO CCSc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000171441481 432134573 /nfs/dbraw/zinc/13/45/73/432134573.db2.gz MKYIZYYPUDKSPU-HIFRSBDPSA-N 1 0 321.490 3.205 10 0 DGAERO CCCC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)OC ZINC000135143171 284462358 /nfs/dbraw/zinc/46/23/58/284462358.db2.gz LDHMIIASQSEQRM-GOSISDBHSA-N 1 0 318.461 3.104 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C/C=C/c1cccc(F)c1 ZINC000246489041 432135509 /nfs/dbraw/zinc/13/55/09/432135509.db2.gz QPKSZLBFLZCTIC-JLLHVBAKSA-N 1 0 316.420 3.314 10 0 DGAERO Cc1ccc2oc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc2n1 ZINC000171525316 432139503 /nfs/dbraw/zinc/13/95/03/432139503.db2.gz MOSLNTMHPNLWFM-INIZCTEOSA-N 1 0 323.396 3.169 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(OC(C)C)cc3)[C@@H]2C1 ZINC000246511848 432139353 /nfs/dbraw/zinc/13/93/53/432139353.db2.gz KMQZPPZEQYAEFL-QRVBRYPASA-N 1 0 319.445 3.242 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)CC[C@H]1c1ccccc1 ZINC000246535087 432141890 /nfs/dbraw/zinc/14/18/90/432141890.db2.gz LJCGEHRMAJKWAZ-JFIYKMOQSA-N 1 0 323.502 3.183 10 0 DGAERO CC(C)(C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1Cl ZINC000171535856 432142076 /nfs/dbraw/zinc/14/20/76/432142076.db2.gz VVYKEOFQLBHSLW-UHFFFAOYSA-N 1 0 320.864 3.314 10 0 DGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037126366 182868686 /nfs/dbraw/zinc/86/86/86/182868686.db2.gz BBDFCJPEVFRRCY-WDEREUQCSA-N 1 0 300.805 3.387 10 0 DGAERO O=C(C[NH2+]CC1CCCC1)Nc1ccc(Br)cc1 ZINC000037258547 182876737 /nfs/dbraw/zinc/87/67/37/182876737.db2.gz NKMJZUGFJOEBJD-UHFFFAOYSA-N 1 0 311.223 3.167 10 0 DGAERO CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000246551951 432143579 /nfs/dbraw/zinc/14/35/79/432143579.db2.gz TZNCBNXGSWWUIR-KZNAEPCWSA-N 1 0 302.462 3.374 10 0 DGAERO Cc1cc(C[NH+]2CCC(Nc3cccnn3)CC2)c(C)s1 ZINC000171552925 432143864 /nfs/dbraw/zinc/14/38/64/432143864.db2.gz PVVRBUAITXXACD-UHFFFAOYSA-N 1 0 302.447 3.231 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C)cn3)CC2)C1(C)C ZINC000181804748 432145110 /nfs/dbraw/zinc/14/51/10/432145110.db2.gz LUBPCUYHLAPMTD-IRXDYDNUSA-N 1 0 317.477 3.152 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246576848 432145849 /nfs/dbraw/zinc/14/58/49/432145849.db2.gz XVHGAGMIQJZZRB-RHSMWYFYSA-N 1 0 319.449 3.324 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000181845899 432146780 /nfs/dbraw/zinc/14/67/80/432146780.db2.gz IFJVAUXXKQRQJX-SNVBAGLBSA-N 1 0 320.742 3.135 10 0 DGAERO c1cc2c(c(C[NH2+][C@H]3CCOC4(CCCCC4)C3)c1)OCO2 ZINC000268977575 432147912 /nfs/dbraw/zinc/14/79/12/432147912.db2.gz PODZTZXAOZYSRL-HNNXBMFYSA-N 1 0 303.402 3.387 10 0 DGAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCSc1ccc(Cl)cc1 ZINC000171574298 432147318 /nfs/dbraw/zinc/14/73/18/432147318.db2.gz VJWRCJHVCLZBLT-RYUDHWBXSA-N 1 0 312.866 3.018 10 0 DGAERO O=C(c1cc(Cl)ccc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917236 284610629 /nfs/dbraw/zinc/61/06/29/284610629.db2.gz ZRKRBRWFWXOODJ-ABAIWWIYSA-N 1 0 310.800 3.083 10 0 DGAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037806568 182928251 /nfs/dbraw/zinc/92/82/51/182928251.db2.gz KCIZEMRYMLWSML-RNCFNFMXSA-N 1 0 301.217 3.265 10 0 DGAERO C[C@@H](CN[C@H]1CCOc2c(Cl)cc(Cl)cc21)[NH+](C)C ZINC000038087439 182988223 /nfs/dbraw/zinc/98/82/23/182988223.db2.gz NYTWRHZKZSAUCY-ZANVPECISA-N 1 0 303.233 3.357 10 0 DGAERO CCC(CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246611143 432149312 /nfs/dbraw/zinc/14/93/12/432149312.db2.gz NBRMMUFVOGXSMT-QAPCUYQASA-N 1 0 317.477 3.235 10 0 DGAERO C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246611766 432149360 /nfs/dbraw/zinc/14/93/60/432149360.db2.gz YECSJYOXPOOJIH-CPUCHLNUSA-N 1 0 308.853 3.054 10 0 DGAERO COc1cc([C@H](C)[NH2+]Cc2cccnc2N(C)C)ccc1F ZINC000152897309 284646515 /nfs/dbraw/zinc/64/65/15/284646515.db2.gz BAEPWNSNELIQLX-LBPRGKRZSA-N 1 0 303.381 3.146 10 0 DGAERO CC[NH+](CC)CC[C@@H](O)c1cc(Br)ccc1F ZINC000041147593 183177137 /nfs/dbraw/zinc/17/71/37/183177137.db2.gz LHCYLFRYDMLSEY-CYBMUJFWSA-N 1 0 304.203 3.354 10 0 DGAERO CCNc1ccc(Cl)cc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246627815 432149986 /nfs/dbraw/zinc/14/99/86/432149986.db2.gz YLXKAWYPVMPERK-TZMCWYRMSA-N 1 0 321.852 3.081 10 0 DGAERO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](C)C(N)=S ZINC000042444615 183271056 /nfs/dbraw/zinc/27/10/56/183271056.db2.gz FLAPBMLTAQVLGQ-SNVBAGLBSA-N 1 0 315.280 3.193 10 0 DGAERO COCC[N@@H+](Cc1c(N)cccc1Br)CC(C)C ZINC000042367200 183260188 /nfs/dbraw/zinc/26/01/88/183260188.db2.gz MRZIMUKFDFXGRY-UHFFFAOYSA-N 1 0 315.255 3.136 10 0 DGAERO COc1cc(C[NH2+]CCc2ccsc2)cc(OC)c1OC ZINC000042374033 183260712 /nfs/dbraw/zinc/26/07/12/183260712.db2.gz IDEVKICKPDZCSD-UHFFFAOYSA-N 1 0 307.415 3.106 10 0 DGAERO CN(Cc1cc(Br)cs1)c1ccc(C[NH3+])cn1 ZINC000042397893 183263487 /nfs/dbraw/zinc/26/34/87/183263487.db2.gz DEGRPNSTLREGTO-UHFFFAOYSA-N 1 0 312.236 3.001 10 0 DGAERO Cc1ccccc1C[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171611513 432150378 /nfs/dbraw/zinc/15/03/78/432150378.db2.gz DRZQUSXEWPFECW-FXAWDEMLSA-N 1 0 324.468 3.215 10 0 DGAERO CC[C@H]([NH3+])[C@H](c1ccc(C)cc1)n1cc(Br)cn1 ZINC000042915949 183318100 /nfs/dbraw/zinc/31/81/00/183318100.db2.gz MDOYNWXRYWSHAN-KBPBESRZSA-N 1 0 308.223 3.281 10 0 DGAERO CC[C@H]([NH3+])[C@@H](SCCC(=O)OC)c1ccc(Cl)cc1 ZINC000042951115 183320421 /nfs/dbraw/zinc/32/04/21/183320421.db2.gz UMIRYCVGOPFNMR-JSGCOSHPSA-N 1 0 301.839 3.415 10 0 DGAERO CCc1nccn1[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042956203 183322653 /nfs/dbraw/zinc/32/26/53/183322653.db2.gz LMZQHLLSCMGHFI-QMTHXVAHSA-N 1 0 308.223 3.145 10 0 DGAERO C[C@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000042957268 183322753 /nfs/dbraw/zinc/32/27/53/183322753.db2.gz RKJMMEVCARYSLG-BPNCWPANSA-N 1 0 314.223 3.033 10 0 DGAERO Cc1nn([C@@H](C[NH3+])c2ccc(Br)cc2)c(C)c1C ZINC000042956106 183323088 /nfs/dbraw/zinc/32/30/88/183323088.db2.gz SONLUZFWDYMYKD-AWEZNQCLSA-N 1 0 308.223 3.119 10 0 DGAERO C[C@H]([NH3+])[C@@H](Sc1ncccn1)c1ccc(Br)cc1 ZINC000042959157 183323767 /nfs/dbraw/zinc/32/37/67/183323767.db2.gz MKIQKGQDKXMSQB-JOYOIKCWSA-N 1 0 324.247 3.420 10 0 DGAERO CCc1c(C)nn([C@H](C[NH3+])c2cccc(Br)c2)c1C ZINC000043022225 183329754 /nfs/dbraw/zinc/32/97/54/183329754.db2.gz IIWJVZVJPAQKEK-OAHLLOKOSA-N 1 0 322.250 3.373 10 0 DGAERO [NH3+]CCN(Cc1cc(Br)cs1)C1CCCC1 ZINC000043687692 183381416 /nfs/dbraw/zinc/38/14/16/183381416.db2.gz HKMJGWMMRQPERT-UHFFFAOYSA-N 1 0 303.269 3.214 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCCCC[NH+]2CCC(C)CC2)o1 ZINC000043722687 183383347 /nfs/dbraw/zinc/38/33/47/183383347.db2.gz XLCFGRQZNBUDIJ-MRXNPFEDSA-N 1 0 321.465 3.460 10 0 DGAERO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000465771288 284712396 /nfs/dbraw/zinc/71/23/96/284712396.db2.gz NKPVCBVKFPGDQJ-PMPSAXMXSA-N 1 0 321.465 3.493 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000177461718 284730757 /nfs/dbraw/zinc/73/07/57/284730757.db2.gz KMGKJPLNELZYIA-KCCJJVRFSA-N 1 0 304.409 3.218 10 0 DGAERO c1ccc2c(c1)cccc2-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000273921489 211175970 /nfs/dbraw/zinc/17/59/70/211175970.db2.gz IALAYLACKZDJPJ-WMLDXEAASA-N 1 0 321.380 3.426 10 0 DGAERO c1ccc2c(c1)cccc2-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000273921479 211174817 /nfs/dbraw/zinc/17/48/17/211174817.db2.gz IALAYLACKZDJPJ-PBHICJAKSA-N 1 0 321.380 3.426 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@H]2CCCCC(F)(F)C2)CCOCC1 ZINC000453227125 284748396 /nfs/dbraw/zinc/74/83/96/284748396.db2.gz COAHGQZDFLRYMD-KBPBESRZSA-N 1 0 305.409 3.376 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCCCn1cccn1 ZINC000105896196 194161406 /nfs/dbraw/zinc/16/14/06/194161406.db2.gz HCOWSKMSNLDRFQ-KRWDZBQOSA-N 1 0 315.465 3.241 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1Cl)CC2 ZINC000105872497 194153723 /nfs/dbraw/zinc/15/37/23/194153723.db2.gz LJJRKWWMJUIKCC-VXGBXAGGSA-N 1 0 304.825 3.160 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000105896696 194162297 /nfs/dbraw/zinc/16/22/97/194162297.db2.gz XQXMZOZTKJEVAZ-AWEZNQCLSA-N 1 0 310.401 3.424 10 0 DGAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000105900588 194164341 /nfs/dbraw/zinc/16/43/41/194164341.db2.gz IDFMMNDZBJAVLX-MRXNPFEDSA-N 1 0 315.417 3.046 10 0 DGAERO Cc1cc(C)c(C[N@@H+]2CCCN(c3cccnn3)CC2)c(C)c1 ZINC000106068574 194183940 /nfs/dbraw/zinc/18/39/40/194183940.db2.gz FNCOIKBGTREQQN-UHFFFAOYSA-N 1 0 310.445 3.114 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(C)ccc3C)C2)n1 ZINC000106181614 194188912 /nfs/dbraw/zinc/18/89/12/194188912.db2.gz MICPUDNISZFYHF-SFHVURJKSA-N 1 0 312.461 3.424 10 0 DGAERO c1c[nH]c(-c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)n1 ZINC000273786704 211059440 /nfs/dbraw/zinc/05/94/40/211059440.db2.gz DALIWMVYOKMYCG-UHFFFAOYSA-N 1 0 309.373 3.113 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](CCCOc3ccc(F)cc3)C2)c1 ZINC000106223320 194191251 /nfs/dbraw/zinc/19/12/51/194191251.db2.gz JRORQHOYIOUWOY-QGZVFWFLSA-N 1 0 317.408 3.437 10 0 DGAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc3nc(Cl)ccc3c2)C1 ZINC000106364230 194201283 /nfs/dbraw/zinc/20/12/83/194201283.db2.gz PKUHQZNTMVKASD-CQSZACIVSA-N 1 0 317.820 3.054 10 0 DGAERO CN(C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000190633770 284777004 /nfs/dbraw/zinc/77/70/04/284777004.db2.gz QMIPTJAVMVJAMJ-QGZVFWFLSA-N 1 0 319.424 3.332 10 0 DGAERO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000212730265 284785160 /nfs/dbraw/zinc/78/51/60/284785160.db2.gz LJTWUIVZOWBKAH-WDEREUQCSA-N 1 0 300.805 3.435 10 0 DGAERO CCN(CC)[C@H](C)C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092560496 284809189 /nfs/dbraw/zinc/80/91/89/284809189.db2.gz LNYYVMZJQAVVAE-QQFBHYJXSA-N 1 0 312.498 3.207 10 0 DGAERO CC(=O)c1csc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107523862 194256033 /nfs/dbraw/zinc/25/60/33/194256033.db2.gz FCIUJVGZLBAOGT-HNNXBMFYSA-N 1 0 320.458 3.041 10 0 DGAERO CN(Cc1ccccc1Br)[C@@H](C[NH3+])C1CCCC1 ZINC000050272258 183781518 /nfs/dbraw/zinc/78/15/18/183781518.db2.gz GLIWBECEDILANT-HNNXBMFYSA-N 1 0 311.267 3.398 10 0 DGAERO Cc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c(C)n1 ZINC000052822830 183875063 /nfs/dbraw/zinc/87/50/63/183875063.db2.gz KQJYTRANGLNEMA-GOSISDBHSA-N 1 0 317.477 3.185 10 0 DGAERO CC[N@H+](CCNC(=O)CSc1ccc2c(c1)CCC2)C(C)C ZINC000110418927 194327905 /nfs/dbraw/zinc/32/79/05/194327905.db2.gz OONABASOSWZIPH-UHFFFAOYSA-N 1 0 320.502 3.114 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000245912992 284853986 /nfs/dbraw/zinc/85/39/86/284853986.db2.gz GDIYCDCJKSOXTE-PVAVHDDUSA-N 1 0 313.445 3.245 10 0 DGAERO O=C(NCCc1ccsc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057156070 184028613 /nfs/dbraw/zinc/02/86/13/184028613.db2.gz BZJVITYZDUFJII-QGZVFWFLSA-N 1 0 314.454 3.071 10 0 DGAERO COc1ccc([C@@H](C[NH3+])Nc2ccc(Cl)cc2)cc1OC ZINC000057637709 184043558 /nfs/dbraw/zinc/04/35/58/184043558.db2.gz BUNFHWYTYSFBGH-CQSZACIVSA-N 1 0 306.793 3.469 10 0 DGAERO COC(=O)c1n[nH]c2ccc(-c3ccc(C(C)(C)[NH3+])cc3)cc21 ZINC000059691657 184140118 /nfs/dbraw/zinc/14/01/18/184140118.db2.gz VBQWJTGTBDWPSB-UHFFFAOYSA-N 1 0 309.369 3.210 10 0 DGAERO C[NH2+][C@@H](Cc1sccc1Br)Cc1cccnc1 ZINC000060708011 184154483 /nfs/dbraw/zinc/15/44/83/184154483.db2.gz CGNFZHUNHMAZIJ-LLVKDONJSA-N 1 0 311.248 3.279 10 0 DGAERO Brc1cc(CN2CCC[N@@H+](C3CC3)CC2)cs1 ZINC000061040874 184160007 /nfs/dbraw/zinc/16/00/07/184160007.db2.gz ZMVVMWDPYRRYMK-UHFFFAOYSA-N 1 0 315.280 3.181 10 0 DGAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000061270189 184167334 /nfs/dbraw/zinc/16/73/34/184167334.db2.gz LKTRUAMRMKLWAW-MNOVXSKESA-N 1 0 313.239 3.014 10 0 DGAERO CC[C@H](NC(=O)NC[C@H](C)[NH+](CC)CC)c1ccc(OC)cc1 ZINC000061349400 184168868 /nfs/dbraw/zinc/16/88/68/184168868.db2.gz HKMAHAAZSBCCHP-YOEHRIQHSA-N 1 0 321.465 3.176 10 0 DGAERO O=C(CCSc1ccccc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605053 184176915 /nfs/dbraw/zinc/17/69/15/184176915.db2.gz HFIXJLVDRQXXBV-UHFFFAOYSA-N 1 0 322.449 3.005 10 0 DGAERO C[C@H]([NH3+])c1ccc(-n2nnc3ccccc32)c(Br)c1 ZINC000061698373 184183868 /nfs/dbraw/zinc/18/38/68/184183868.db2.gz XAPCREPDLBDNCW-VIFPVBQESA-N 1 0 317.190 3.203 10 0 DGAERO C[C@@H]([NH3+])c1ccc(OCC2CCOCC2)c(Br)c1 ZINC000061699852 184183938 /nfs/dbraw/zinc/18/39/38/184183938.db2.gz GRDNAKXCQPXQKD-SNVBAGLBSA-N 1 0 314.223 3.274 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@H]1COc2c(Cl)cccc2[C@@H]1O ZINC000062174881 184211326 /nfs/dbraw/zinc/21/13/26/184211326.db2.gz NTWOLUMYLCCZMS-HOTGVXAUSA-N 1 0 303.789 3.266 10 0 DGAERO CC(C)C[NH2+]Cc1ccc(Br)cc1-n1cccn1 ZINC000062738482 184251849 /nfs/dbraw/zinc/25/18/49/184251849.db2.gz VZZKTNAPQLJRIB-UHFFFAOYSA-N 1 0 308.223 3.380 10 0 DGAERO CCC1(c2nc3cc(Br)ccc3[nH]2)CC[NH2+]CC1 ZINC000062844977 184256001 /nfs/dbraw/zinc/25/60/01/184256001.db2.gz VVFQGNSDMYRDEJ-UHFFFAOYSA-N 1 0 308.223 3.357 10 0 DGAERO CCC1(C(=O)Nc2cccc(Br)c2)CC[NH2+]CC1 ZINC000062847747 184256381 /nfs/dbraw/zinc/25/63/81/184256381.db2.gz DPGVIEIYMHUPCC-UHFFFAOYSA-N 1 0 311.223 3.167 10 0 DGAERO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)NC(C)C)CC2)c1 ZINC000064486322 184298656 /nfs/dbraw/zinc/29/86/56/184298656.db2.gz HTSDJNNLWHXLER-UHFFFAOYSA-N 1 0 318.461 3.061 10 0 DGAERO COc1ccccc1C[NH+]1CCC([C@@H](O)c2ccccn2)CC1 ZINC000065288644 184323240 /nfs/dbraw/zinc/32/32/40/184323240.db2.gz RCRPMHOMSYPMCZ-LJQANCHMSA-N 1 0 312.413 3.036 10 0 DGAERO CSc1ccc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000085359855 252597074 /nfs/dbraw/zinc/59/70/74/252597074.db2.gz JSJCMFUNLCXKFC-CYBMUJFWSA-N 1 0 323.506 3.184 10 0 DGAERO Brc1cccc2c(C[NH2+][C@@H]3CCCOC3)ccnc12 ZINC000449127603 532969882 /nfs/dbraw/zinc/96/98/82/532969882.db2.gz WQXKYHRLJOMAHG-GFCCVEGCSA-N 1 0 321.218 3.266 10 0 DGAERO CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248571854 285006648 /nfs/dbraw/zinc/00/66/48/285006648.db2.gz MIUJZWMJMLNPOV-IEBWSBKVSA-N 1 0 316.489 3.494 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1OCC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000248616224 285010984 /nfs/dbraw/zinc/01/09/84/285010984.db2.gz AJUHJABUVSIMSK-MHORFTMASA-N 1 0 324.509 3.161 10 0 DGAERO CC[C@@H]1C[N@H+](C[C@H](C)CC2CCCCC2)CCN1C[C@H](C)O ZINC000248648664 285013925 /nfs/dbraw/zinc/01/39/25/285013925.db2.gz UEBHQMXUWQVODA-ZIFCJYIRSA-N 1 0 310.526 3.370 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000248651386 285014496 /nfs/dbraw/zinc/01/44/96/285014496.db2.gz MXYDLCKAXBMBNO-UWWQBHOKSA-N 1 0 309.425 3.181 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000248663553 285016217 /nfs/dbraw/zinc/01/62/17/285016217.db2.gz ZTNHPYFAWRZGCZ-ZWKOTPCHSA-N 1 0 309.425 3.010 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(-c2ccco2)s1 ZINC000248733050 285020386 /nfs/dbraw/zinc/02/03/86/285020386.db2.gz MLFOKCFJEKJVIO-KBPBESRZSA-N 1 0 317.458 3.462 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)C1CCCC1 ZINC000184611552 252748494 /nfs/dbraw/zinc/74/84/94/252748494.db2.gz WFCKFPTZDOVCBX-ZDUSSCGKSA-N 1 0 308.853 3.167 10 0 DGAERO COc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000248840502 285030084 /nfs/dbraw/zinc/03/00/84/285030084.db2.gz LJCWZQAJKIVPLP-YOEHRIQHSA-N 1 0 309.837 3.476 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cccc2OC)[C@@H](C)C1 ZINC000248858363 285033155 /nfs/dbraw/zinc/03/31/55/285033155.db2.gz ZXJINFKRSNLJOT-GJZGRUSLSA-N 1 0 319.449 3.198 10 0 DGAERO c1nc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)co1 ZINC000248846406 285030762 /nfs/dbraw/zinc/03/07/62/285030762.db2.gz ARDYPIDIYGIXFZ-PKOBYXMFSA-N 1 0 311.429 3.161 10 0 DGAERO CCCCOCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000119617156 195003026 /nfs/dbraw/zinc/00/30/26/195003026.db2.gz BZSXVHQMCPQUKV-CYBMUJFWSA-N 1 0 308.422 3.121 10 0 DGAERO CC(C)[N@H+](CCc1nc(-c2ccccc2)no1)C1CCOCC1 ZINC000119684753 195017705 /nfs/dbraw/zinc/01/77/05/195017705.db2.gz FIYJIEUXVWSIFT-UHFFFAOYSA-N 1 0 315.417 3.169 10 0 DGAERO COC[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000119698436 195019824 /nfs/dbraw/zinc/01/98/24/195019824.db2.gz KHYAUSIJHWSIII-MOPGFXCFSA-N 1 0 302.462 3.056 10 0 DGAERO COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCCC[C@H]2O)cc1F ZINC000248995723 285044348 /nfs/dbraw/zinc/04/43/48/285044348.db2.gz MBDJBPNNRSCILM-YSVLISHTSA-N 1 0 309.425 3.154 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2C)C12CCOCC2 ZINC000249065315 285051708 /nfs/dbraw/zinc/05/17/08/285051708.db2.gz ZHLJCMQFVHTHNO-FDPIWHGQSA-N 1 0 315.457 3.484 10 0 DGAERO Cc1ccc(C[N@@H+](C[C@H](C)O)C(C)C)cc1Br ZINC000120018611 195081248 /nfs/dbraw/zinc/08/12/48/195081248.db2.gz GPFDUOMSGGKOEB-LBPRGKRZSA-N 1 0 300.240 3.349 10 0 DGAERO Cc1cnn(CC[NH2+]Cc2ccc(C)c(Br)c2)c1 ZINC000120033762 195084332 /nfs/dbraw/zinc/08/43/32/195084332.db2.gz GKCBKJYRCBYBHP-UHFFFAOYSA-N 1 0 308.223 3.052 10 0 DGAERO C[C@H]1CC[C@H]1[NH2+]Cc1cccc(I)c1 ZINC000306346849 252902976 /nfs/dbraw/zinc/90/29/76/252902976.db2.gz CKCLIKMZRGQZJB-JOYOIKCWSA-N 1 0 301.171 3.179 10 0 DGAERO O[C@H](C[N@@H+]1CC[C@H](COCc2ccccc2)C1)C1CCCCC1 ZINC000249129920 285058501 /nfs/dbraw/zinc/05/85/01/285058501.db2.gz UTESXASUQDXRIH-AZUAARDMSA-N 1 0 317.473 3.466 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccncc2OC)C[C@H]1C ZINC000249198254 285063261 /nfs/dbraw/zinc/06/32/61/285063261.db2.gz RUQVZTVDPKCISV-APIJFGDWSA-N 1 0 320.433 3.109 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)cc1OC(F)F ZINC000249240893 285064417 /nfs/dbraw/zinc/06/44/17/285064417.db2.gz WOKGQDCXOZYNIB-XHDPSFHLSA-N 1 0 315.360 3.153 10 0 DGAERO [NH3+]C[C@H]1CCCCN1C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000333337427 252949605 /nfs/dbraw/zinc/94/96/05/252949605.db2.gz PECGLXQDCXFVRF-GFCCVEGCSA-N 1 0 322.478 3.147 10 0 DGAERO CC(C)[C@H]1C[C@@H](NC(=O)NC2CCC([NH3+])CC2)c2ccccc21 ZINC000333787815 252971759 /nfs/dbraw/zinc/97/17/59/252971759.db2.gz LZUCOGMLCWAXCM-VKYMVXLJSA-N 1 0 315.461 3.440 10 0 DGAERO O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333793171 252972526 /nfs/dbraw/zinc/97/25/26/252972526.db2.gz MRJJIYFQCKIRLD-RCCFBDPRSA-N 1 0 315.461 3.154 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000249508550 285077355 /nfs/dbraw/zinc/07/73/55/285077355.db2.gz LDJXAISIAOVKCO-ATLSCFEFSA-N 1 0 321.509 3.231 10 0 DGAERO COCC1(C[NH2+]Cc2cc(Br)ccc2F)CCC1 ZINC000336794564 253002273 /nfs/dbraw/zinc/00/22/73/253002273.db2.gz CUVPJNFPTXGGMF-UHFFFAOYSA-N 1 0 316.214 3.495 10 0 DGAERO Cc1sc(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c(C)c1C ZINC000249552138 285080336 /nfs/dbraw/zinc/08/03/36/285080336.db2.gz IJDMPMSFFOFDAP-DIFFPNOSSA-N 1 0 324.490 3.095 10 0 DGAERO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)Cn1cncn1 ZINC000337348858 253093492 /nfs/dbraw/zinc/09/34/92/253093492.db2.gz ZMZPBDFWYUMYTL-OTAKNEKHSA-N 1 0 324.350 3.379 10 0 DGAERO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)Cn1cncn1 ZINC000337348859 253093703 /nfs/dbraw/zinc/09/37/03/253093703.db2.gz ZMZPBDFWYUMYTL-WHGQRRHOSA-N 1 0 324.350 3.379 10 0 DGAERO CO[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1C ZINC000251615895 285097275 /nfs/dbraw/zinc/09/72/75/285097275.db2.gz GJIACFTVVHJUHE-SWLSCSKDSA-N 1 0 310.825 3.025 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2ccc(C)o2)C1 ZINC000252538645 285103100 /nfs/dbraw/zinc/10/31/00/285103100.db2.gz NDNZVWBKCJDWJZ-CVEARBPZSA-N 1 0 319.449 3.309 10 0 DGAERO c1ccc(C2CCC(C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)CC2)cc1 ZINC000338365686 253273975 /nfs/dbraw/zinc/27/39/75/253273975.db2.gz GUIBEYDOLGVCBA-XPYVTTBUSA-N 1 0 301.430 3.060 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000254941678 285113833 /nfs/dbraw/zinc/11/38/33/285113833.db2.gz AWHHSPUPRZBXST-GPCFVJJQSA-N 1 0 304.409 3.220 10 0 DGAERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(F)c1 ZINC000159174998 197332578 /nfs/dbraw/zinc/33/25/78/197332578.db2.gz FORKHFOFLMRKIS-KSSFIOAISA-N 1 0 314.404 3.176 10 0 DGAERO c1csc([C@@H](CNc2ccnc3cccnc32)[NH+]2CCCC2)c1 ZINC000338638638 253324613 /nfs/dbraw/zinc/32/46/13/253324613.db2.gz WZTNTLFSFBFNFA-MRXNPFEDSA-N 1 0 324.453 3.362 10 0 DGAERO c1cnn(-c2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)c1 ZINC000339052654 253397116 /nfs/dbraw/zinc/39/71/16/253397116.db2.gz NGJPQJCWTZSATC-GUDVDZBRSA-N 1 0 323.440 3.310 10 0 DGAERO CC[C@H]1CN(C/C=C\c2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC000255144436 285134366 /nfs/dbraw/zinc/13/43/66/285134366.db2.gz DKAJRYVBDZNVST-XDXAGZTOSA-N 1 0 322.880 3.396 10 0 DGAERO C[N@H+](Cc1cccc2[nH]ccc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000120261599 195130542 /nfs/dbraw/zinc/13/05/42/195130542.db2.gz ZAZAYYNNDSOXPB-INIZCTEOSA-N 1 0 321.428 3.059 10 0 DGAERO c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000341367665 253797100 /nfs/dbraw/zinc/79/71/00/253797100.db2.gz AEINZUYNLJUYCA-FGTMMUONSA-N 1 0 315.461 3.081 10 0 DGAERO COc1cc(C)nc(C[NH2+][C@H](C)CCOCc2ccccc2)c1 ZINC000342273367 253956098 /nfs/dbraw/zinc/95/60/98/253956098.db2.gz ULKHBADDJYITLH-OAHLLOKOSA-N 1 0 314.429 3.484 10 0 DGAERO c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000342908858 254072887 /nfs/dbraw/zinc/07/28/87/254072887.db2.gz CBACLCXOUQYAQY-DLBZAZTESA-N 1 0 311.429 3.121 10 0 DGAERO O[C@H]1C[C@H](c2ccc(F)cc2)[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000343376753 254133950 /nfs/dbraw/zinc/13/39/50/254133950.db2.gz UXCWXUNWWLCDDB-FUHWJXTLSA-N 1 0 311.360 3.010 10 0 DGAERO c1c(C[NH2+]Cc2ccc3ccccc3n2)[nH]nc1-c1cccnc1 ZINC000343750093 254184276 /nfs/dbraw/zinc/18/42/76/254184276.db2.gz AKWOLVGALPOSQI-UHFFFAOYSA-N 1 0 315.380 3.310 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)n1 ZINC000157245230 197173052 /nfs/dbraw/zinc/17/30/52/197173052.db2.gz MRHUVMZTCPWLAR-GFCCVEGCSA-N 1 0 303.406 3.449 10 0 DGAERO c1cn(-c2csc(C[NH2+]Cc3ccc4c(c3)COC4)c2)cn1 ZINC000344338258 254258884 /nfs/dbraw/zinc/25/88/84/254258884.db2.gz WOKHDRZZWOYSCH-UHFFFAOYSA-N 1 0 311.410 3.254 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C/C=C\c1ccc(F)cc1 ZINC000255891179 285184799 /nfs/dbraw/zinc/18/47/99/285184799.db2.gz AXLZVSXCAVJSIC-KPLAAQDZSA-N 1 0 316.420 3.314 10 0 DGAERO CO[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)C(C)C ZINC000344723436 254300040 /nfs/dbraw/zinc/30/00/40/254300040.db2.gz DRTCSQJTEPANCH-CYBMUJFWSA-N 1 0 304.203 3.349 10 0 DGAERO COc1ccc(C[NH2+][C@H]2CC[C@@H]2SC)cc1Br ZINC000344961969 254319134 /nfs/dbraw/zinc/31/91/34/254319134.db2.gz XUVGTIKDCKSLQP-AAEUAGOBSA-N 1 0 316.264 3.441 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(-c2nccs2)cc1)[NH+](C)C ZINC000156825714 197142720 /nfs/dbraw/zinc/14/27/20/197142720.db2.gz MJLSWZOLMNDTQV-CQSZACIVSA-N 1 0 303.431 3.479 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262642486 285196262 /nfs/dbraw/zinc/19/62/62/285196262.db2.gz RYKLJPYGVLPQLO-OKZBNKHCSA-N 1 0 302.462 3.292 10 0 DGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCc2c1cccc2Cl ZINC000262472780 285195625 /nfs/dbraw/zinc/19/56/25/285195625.db2.gz OMONVCUDSRPVBZ-GLQYFDAESA-N 1 0 304.821 3.150 10 0 DGAERO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177184400 285200868 /nfs/dbraw/zinc/20/08/68/285200868.db2.gz USQSJXMNFHGTBA-DLBZAZTESA-N 1 0 314.454 3.388 10 0 DGAERO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000155971503 197078367 /nfs/dbraw/zinc/07/83/67/197078367.db2.gz ZUMVDGBMPUHBJI-KBPBESRZSA-N 1 0 317.385 3.379 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000155554959 197066848 /nfs/dbraw/zinc/06/68/48/197066848.db2.gz XMSHJBPXKLKSTJ-GWCFXTLKSA-N 1 0 315.244 3.452 10 0 DGAERO COc1ccccc1[C@H](C)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155512294 197061725 /nfs/dbraw/zinc/06/17/25/197061725.db2.gz WIECCECWRYVLHZ-VYDXJSESSA-N 1 0 318.461 3.034 10 0 DGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCCc1c[nH]c2ccccc12 ZINC000155607431 197071272 /nfs/dbraw/zinc/07/12/72/197071272.db2.gz RDWBUUXPRRUHDQ-GJZGRUSLSA-N 1 0 313.445 3.042 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC000155067923 197019202 /nfs/dbraw/zinc/01/92/02/197019202.db2.gz NGVCYTBFPHSYQF-DYVFJYSZSA-N 1 0 324.415 3.086 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 ZINC000154926297 197006359 /nfs/dbraw/zinc/00/63/59/197006359.db2.gz JQGBUJGEZHKAFR-IRXDYDNUSA-N 1 0 314.408 3.325 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1Br ZINC000294698791 224177264 /nfs/dbraw/zinc/17/72/64/224177264.db2.gz AROLFSHQJUZMND-GBIKHYSHSA-N 1 0 314.223 3.113 10 0 DGAERO OCC1([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000120377809 195154561 /nfs/dbraw/zinc/15/45/61/195154561.db2.gz CPQKHTNAMYQSCM-UHFFFAOYSA-N 1 0 300.383 3.171 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000120449233 195168874 /nfs/dbraw/zinc/16/88/74/195168874.db2.gz VFADXAINHQECRX-ABAIWWIYSA-N 1 0 311.376 3.159 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)c1c(F)cccc1F ZINC000120502829 195179927 /nfs/dbraw/zinc/17/99/27/195179927.db2.gz ADTHUCNSBGCFNN-OLZOCXBDSA-N 1 0 312.404 3.161 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)c(F)c2)[C@H](C)C1 ZINC000120529612 195184735 /nfs/dbraw/zinc/18/47/35/195184735.db2.gz HSXYGZXHUVSFKK-IUODEOHRSA-N 1 0 323.412 3.028 10 0 DGAERO Cc1ccc(Br)cc1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000313591310 285304465 /nfs/dbraw/zinc/30/44/65/285304465.db2.gz ROKILKDGSWQCFF-GFCCVEGCSA-N 1 0 312.251 3.350 10 0 DGAERO Cc1ccsc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120919990 195264705 /nfs/dbraw/zinc/26/47/05/195264705.db2.gz AQKRNMOCMZNWOM-UHFFFAOYSA-N 1 0 312.442 3.479 10 0 DGAERO Cc1ccsc1C[N@H+]1CC[C@@H]2C[C@@H](c3noc(C)n3)O[C@H]2C1 ZINC000248031006 257111193 /nfs/dbraw/zinc/11/11/93/257111193.db2.gz LRYVKTNQGVHGEG-RDBSUJKOSA-N 1 0 319.430 3.100 10 0 DGAERO COc1ccc(C[C@@H]2C[N@@H+](Cc3ccco3)CC[C@H]2OC)cc1 ZINC000247946112 257114143 /nfs/dbraw/zinc/11/41/43/257114143.db2.gz ZPOMTPPZFHFOCM-VQIMIIECSA-N 1 0 315.413 3.368 10 0 DGAERO CCc1ccc(C[N@@H+]2CC[C@@H](OC)[C@H]2Cc2cccnc2)o1 ZINC000247871266 257114773 /nfs/dbraw/zinc/11/47/73/257114773.db2.gz ZOLIVUHKRLNKMW-QZTJIDSGSA-N 1 0 300.402 3.069 10 0 DGAERO O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@H+](CCc2ccccc2)C1 ZINC000121102971 195293858 /nfs/dbraw/zinc/29/38/58/195293858.db2.gz XQIPNTSIWUDLMA-CRAIPNDOSA-N 1 0 303.352 3.315 10 0 DGAERO COc1ccc(-c2cnc(C[N@H+](C)CCc3ccncc3)o2)cc1 ZINC000121591927 195312790 /nfs/dbraw/zinc/31/27/90/195312790.db2.gz IFUIDCZFEDWPAC-UHFFFAOYSA-N 1 0 323.396 3.420 10 0 DGAERO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1C[C@@H]1c1ccco1 ZINC000121529497 195304374 /nfs/dbraw/zinc/30/43/74/195304374.db2.gz MEDVRHAJIZGUTH-RCCFBDPRSA-N 1 0 324.424 3.336 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000121544782 195305371 /nfs/dbraw/zinc/30/53/71/195305371.db2.gz AOTTXWKDCIEBCG-KGLIPLIRSA-N 1 0 318.442 3.054 10 0 DGAERO C[NH+](C)C1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000121771759 195344839 /nfs/dbraw/zinc/34/48/39/195344839.db2.gz OKTSGXIDTWRIPE-UHFFFAOYSA-N 1 0 318.852 3.052 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000121904933 195371909 /nfs/dbraw/zinc/37/19/09/195371909.db2.gz ALULMGBACSWSND-IBGZPJMESA-N 1 0 319.408 3.268 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(OCC2CC2)c(F)c1 ZINC000121968066 195383056 /nfs/dbraw/zinc/38/30/56/195383056.db2.gz SRMOTWBBVZSASF-YMTOWFKASA-N 1 0 321.314 3.188 10 0 DGAERO CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(Cl)s1 ZINC000123517418 195591344 /nfs/dbraw/zinc/59/13/44/195591344.db2.gz WHTQXEUDWAAQBA-RYUDHWBXSA-N 1 0 302.871 3.163 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Cc2cccc3ccccc32)CC[N@@H+]1C ZINC000122911741 195520097 /nfs/dbraw/zinc/52/00/97/195520097.db2.gz VJHGFSNXXUOLET-CRAIPNDOSA-N 1 0 310.441 3.323 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)cc1NC(C)=O ZINC000126217851 195821553 /nfs/dbraw/zinc/82/15/53/195821553.db2.gz KRGJZASIWTYSIY-CHWSQXEVSA-N 1 0 320.433 3.119 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2C2CCCCC2)[C@@H](C)C1 ZINC000247345101 285392842 /nfs/dbraw/zinc/39/28/42/285392842.db2.gz JJPKTDJXNVUYGM-HPBDAGMYSA-N 1 0 306.494 3.392 10 0 DGAERO COC(=O)C1CCC([NH2+]C[C@H](C)c2ccc(F)cc2F)CC1 ZINC000192443851 533280792 /nfs/dbraw/zinc/28/07/92/533280792.db2.gz NTEWPIWEYLRZCV-DCBWTQNWSA-N 1 0 311.372 3.390 10 0 DGAERO C(=C/c1ccccc1)\CCN1CC[NH+](CC2CCOCC2)CC1 ZINC000450415352 533350239 /nfs/dbraw/zinc/35/02/39/533350239.db2.gz BVULRUBQGVRPEQ-XBXARRHUSA-N 1 0 314.473 3.134 10 0 DGAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1cc(Br)ccc1F ZINC000157459869 533357337 /nfs/dbraw/zinc/35/73/37/533357337.db2.gz MAEPBUASAQXAGE-SNVBAGLBSA-N 1 0 316.214 3.401 10 0 DGAERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000172168386 533402977 /nfs/dbraw/zinc/40/29/77/533402977.db2.gz ASUSMLBSSSCUHJ-KGLIPLIRSA-N 1 0 304.434 3.499 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cc(Br)ccc1F ZINC000178650951 533419651 /nfs/dbraw/zinc/41/96/51/533419651.db2.gz AMWUWICDUUWEHL-PWSUYJOCSA-N 1 0 315.230 3.333 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccc(Cl)c1 ZINC000147898994 533522482 /nfs/dbraw/zinc/52/24/82/533522482.db2.gz DWWAMBHRTJTFMC-KCPJHIHWSA-N 1 0 315.866 3.346 10 0 DGAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356833760 285512708 /nfs/dbraw/zinc/51/27/08/285512708.db2.gz FNAPAJRUFSOPER-HIFRSBDPSA-N 1 0 322.415 3.054 10 0 DGAERO CCC[C@H](C(=O)NCc1cccc(-c2ccccn2)c1)[NH+](C)C ZINC000164152254 132131206 /nfs/dbraw/zinc/13/12/06/132131206.db2.gz PEULLZRJQREMLJ-GOSISDBHSA-N 1 0 311.429 3.095 10 0 DGAERO c1nc2ccccc2n1CC[NH2+]CCCCOc1ccccc1 ZINC000357579161 285793511 /nfs/dbraw/zinc/79/35/11/285793511.db2.gz ILVOATGLNFATFA-UHFFFAOYSA-N 1 0 309.413 3.485 10 0 DGAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](N)c1ccc(OC)cc1 ZINC000584614609 400086214 /nfs/dbraw/zinc/08/62/14/400086214.db2.gz VSHSEAUGMIZGFA-ZWKOTPCHSA-N 1 0 300.402 3.054 10 0 DGAERO c1ccc2c(c1)[nH]c1c2CCN2[C@@H]1[C@@H]1CC[C@H]2[C@@H]2CCC[NH2+][C@H]12 ZINC000002564863 400081211 /nfs/dbraw/zinc/08/12/11/400081211.db2.gz SBGPASZOVGSOFJ-BOHLSTHVSA-N 1 0 307.441 3.228 10 0 DGAERO COC(=O)CCCC[NH2+][C@H](C)c1ccccc1Br ZINC000609574580 400176346 /nfs/dbraw/zinc/17/63/46/400176346.db2.gz YNILDQPPXJHUGY-LLVKDONJSA-N 1 0 314.223 3.443 10 0 DGAERO CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCC[NH2+]1 ZINC000616576020 400176546 /nfs/dbraw/zinc/17/65/46/400176546.db2.gz OLJBMTWVMQNTNY-FQEVSTJZSA-N 1 0 308.425 3.154 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3ccnc4ccccc43)C2)cc1 ZINC000616600966 400181004 /nfs/dbraw/zinc/18/10/04/400181004.db2.gz NAZNHWLXQSOCAH-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2COCCC[N@@H+]2C)c1 ZINC000616598464 400181822 /nfs/dbraw/zinc/18/18/22/400181822.db2.gz BCSKTDBJIFFPSW-MRXNPFEDSA-N 1 0 320.433 3.451 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccc2ncccc21 ZINC000616604583 400183749 /nfs/dbraw/zinc/18/37/49/400183749.db2.gz WPLCAZNFPWOXRU-MRXNPFEDSA-N 1 0 313.401 3.116 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1c1cccc(N)c1 ZINC000616615407 400184833 /nfs/dbraw/zinc/18/48/33/400184833.db2.gz YDSBRFVXFYYYSR-MRXNPFEDSA-N 1 0 319.449 3.321 10 0 DGAERO CNc1ccccc1[C@@H]1CCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616610126 400185379 /nfs/dbraw/zinc/18/53/79/400185379.db2.gz NMBAZGJNOGDLKA-INIZCTEOSA-N 1 0 319.449 3.390 10 0 DGAERO CC[C@@](C)(C[NH3+])c1ncc(Br)cc1Br ZINC000306211264 400123699 /nfs/dbraw/zinc/12/36/99/400123699.db2.gz UQWDAVUXDTUCPY-JTQLQIEISA-N 1 0 322.044 3.233 10 0 DGAERO Cc1nc(Cl)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1C ZINC000306733290 400126169 /nfs/dbraw/zinc/12/61/69/400126169.db2.gz SWUYGWKOJGPYDM-OAHLLOKOSA-N 1 0 316.836 3.433 10 0 DGAERO COc1ccc(C[NH2+]CCOC(C)(C)C)cc1Br ZINC000308688532 400130015 /nfs/dbraw/zinc/13/00/15/400130015.db2.gz DMYBLFIXOBPVMN-UHFFFAOYSA-N 1 0 316.239 3.362 10 0 DGAERO O=C(c1cc2sccc2s1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312451054 400135725 /nfs/dbraw/zinc/13/57/25/400135725.db2.gz ACOJJNZSTXEBLJ-PHIMTYICSA-N 1 0 306.456 3.034 10 0 DGAERO CC(C)c1noc(CCC[NH2+]CC2=Cc3ccccc3OC2)n1 ZINC000066992492 400136333 /nfs/dbraw/zinc/13/63/33/400136333.db2.gz OOSCWICQHCAMEV-UHFFFAOYSA-N 1 0 313.401 3.191 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccccc1C1CCN(CC[NH3+])CC1 ZINC000616619727 400186371 /nfs/dbraw/zinc/18/63/71/400186371.db2.gz QAEQOVYFBBRXAX-UHFFFAOYSA-N 1 0 319.449 3.172 10 0 DGAERO COC(=O)c1csc([C@H](C)[NH2+]C[C@H](C)c2ccncc2)c1 ZINC000586790603 400157817 /nfs/dbraw/zinc/15/78/17/400157817.db2.gz MHHZBYYBVRDQKG-RYUDHWBXSA-N 1 0 304.415 3.384 10 0 DGAERO C[C@H](CNC(=O)c1c[nH]c2cc(Cl)ccc12)C[NH+]1CCCC1 ZINC000588926091 400246632 /nfs/dbraw/zinc/24/66/32/400246632.db2.gz AOTASSPCVWEADV-GFCCVEGCSA-N 1 0 319.836 3.283 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3ccc4cccnc4c3)C2)cc1 ZINC000616633345 400189693 /nfs/dbraw/zinc/18/96/93/400189693.db2.gz QZEGYPRNHCWXDX-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CC(=O)Nc1ccc([C@H]2COCCN2Cc2ccccc2)cc1 ZINC000616640473 400191075 /nfs/dbraw/zinc/19/10/75/400191075.db2.gz TWZMJFXQLFENLV-LJQANCHMSA-N 1 0 310.397 3.219 10 0 DGAERO OCCc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000616651764 400192732 /nfs/dbraw/zinc/19/27/32/400192732.db2.gz GDDPHZKDVHMYCQ-FQEVSTJZSA-N 1 0 311.425 3.185 10 0 DGAERO CCOC(=O)c1cccc([C@@H]2C[N@@H+](C(C)(C)C)CCCO2)c1 ZINC000616648806 400193077 /nfs/dbraw/zinc/19/30/77/400193077.db2.gz CTSBVIHSNQMPDV-INIZCTEOSA-N 1 0 305.418 3.425 10 0 DGAERO CC[N@@H+]1CCOC[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616661331 400195311 /nfs/dbraw/zinc/19/53/11/400195311.db2.gz QHOQEDHXHVUYFW-HNNXBMFYSA-N 1 0 320.433 3.469 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCOCC[NH2+]2)cc1 ZINC000616657579 400195402 /nfs/dbraw/zinc/19/54/02/400195402.db2.gz DYXZFLIOKVDTQC-OAHLLOKOSA-N 1 0 306.406 3.109 10 0 DGAERO OCCc1cccc([C@H]2CCOCC[N@@H+]2Cc2ccccc2)c1 ZINC000616661152 400195488 /nfs/dbraw/zinc/19/54/88/400195488.db2.gz ZYEWSFIGDKVFPP-HXUWFJFHSA-N 1 0 311.425 3.185 10 0 DGAERO CC[N@@H+]1CCOC[C@@H](c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000616659450 400196027 /nfs/dbraw/zinc/19/60/27/400196027.db2.gz AOFSWKHVVXKTRI-HNNXBMFYSA-N 1 0 320.433 3.469 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CC[NH2+]CCO2)c1 ZINC000616663794 400196440 /nfs/dbraw/zinc/19/64/40/400196440.db2.gz ONKCXURVMRTWMR-OAHLLOKOSA-N 1 0 306.406 3.109 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cccc2cnccc21 ZINC000616681478 400201867 /nfs/dbraw/zinc/20/18/67/400201867.db2.gz YCWAOCURCCLGQR-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1C[C@H](c2cncc3ccccc32)Nc2ccccc21 ZINC000616682352 400202114 /nfs/dbraw/zinc/20/21/14/400202114.db2.gz AJDKPMSJXHYLOD-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cnc2ccccc2c1 ZINC000616682613 400202763 /nfs/dbraw/zinc/20/27/63/400202763.db2.gz LEITYOGSYUGVGP-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO CCC(CC)[C@H](O)C[NH2+]Cc1ccsc1Br ZINC000388732364 400267601 /nfs/dbraw/zinc/26/76/01/400267601.db2.gz FDNYROMSQDSJIX-LLVKDONJSA-N 1 0 306.269 3.397 10 0 DGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000388894254 400267842 /nfs/dbraw/zinc/26/78/42/400267842.db2.gz PVYTXXQAYVCKHT-MNOVXSKESA-N 1 0 304.253 3.151 10 0 DGAERO C[C@@]1(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCS1 ZINC000392896287 400278236 /nfs/dbraw/zinc/27/82/36/400278236.db2.gz LTCIIULRKOHCCO-ROUUACIJSA-N 1 0 304.503 3.384 10 0 DGAERO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000398047102 400286516 /nfs/dbraw/zinc/28/65/16/400286516.db2.gz RPQHMDNNWUMEID-RDGPPVDQSA-N 1 0 314.473 3.305 10 0 DGAERO CN(C(=O)OC(C)(C)C)[C@@H](C(=[NH2+])NO)c1ccc(Cl)cc1 ZINC000409440651 400301651 /nfs/dbraw/zinc/30/16/51/400301651.db2.gz LXBOKBSAVZHPAQ-LLVKDONJSA-N 1 0 313.785 3.204 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H](C)c1ccccc1F ZINC000102637810 400302105 /nfs/dbraw/zinc/30/21/05/400302105.db2.gz MFJWQGBCXIOCPZ-LSDHHAIUSA-N 1 0 308.441 3.412 10 0 DGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000029577337 400310917 /nfs/dbraw/zinc/31/09/17/400310917.db2.gz HUKYYUSLRLVQHY-MNOVXSKESA-N 1 0 313.239 3.410 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000589640420 400315064 /nfs/dbraw/zinc/31/50/64/400315064.db2.gz SELBQHBAYVXDSO-UHFFFAOYSA-N 1 0 303.369 3.038 10 0 DGAERO [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(F)c(F)cc1F ZINC000113213439 400379303 /nfs/dbraw/zinc/37/93/03/400379303.db2.gz GIFBWXCLCGYFRS-DYVFJYSZSA-N 1 0 306.331 3.031 10 0 DGAERO NC(=[NH2+])c1cccc(COc2ccc(Br)cc2F)c1 ZINC000034957340 400386689 /nfs/dbraw/zinc/38/66/89/400386689.db2.gz OWMBUSWBGVZSJB-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)C(C)(C)C)C2CC2)cc1 ZINC000114473279 400387139 /nfs/dbraw/zinc/38/71/39/400387139.db2.gz OGDZOYRBIRPWJD-FZKQIMNGSA-N 1 0 318.461 3.287 10 0 DGAERO [NH3+]CC[C@@H]1CCCc2ccc(S(=O)(=O)c3ccccc3)cc21 ZINC000035978222 400389000 /nfs/dbraw/zinc/38/90/00/400389000.db2.gz TYOOZUGUCZLUBH-HNNXBMFYSA-N 1 0 315.438 3.288 10 0 DGAERO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c2ccccc21 ZINC000106907455 400332980 /nfs/dbraw/zinc/33/29/80/400332980.db2.gz VHVLEFRGURIIGB-DNVCBOLYSA-N 1 0 308.425 3.310 10 0 DGAERO C[C@@H](c1nc(C(C)(C)C)no1)N(C)CCN(C)c1ccccc1 ZINC000107683425 400336621 /nfs/dbraw/zinc/33/66/21/400336621.db2.gz JMVICQJWHQWYOE-AWEZNQCLSA-N 1 0 316.449 3.496 10 0 DGAERO C[NH+](C)Cc1ccccc1NC(=O)c1coc(Br)c1 ZINC000031231330 400343087 /nfs/dbraw/zinc/34/30/87/400343087.db2.gz MMFKCGTYBDHVRZ-UHFFFAOYSA-N 1 0 323.190 3.356 10 0 DGAERO COc1ccccc1C[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037195511 400393424 /nfs/dbraw/zinc/39/34/24/400393424.db2.gz XYBNERODRZUKQT-UHFFFAOYSA-N 1 0 301.415 3.311 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC/C=C/c2ccccc2)C1 ZINC000112749097 400376650 /nfs/dbraw/zinc/37/66/50/400376650.db2.gz CVZNVJNCLVZQKV-OPUMOTSWSA-N 1 0 315.461 3.119 10 0 DGAERO C[NH+]1CCC2(CN(c3ccccc3NC=O)c3ccccc32)CC1 ZINC000039294873 400398293 /nfs/dbraw/zinc/39/82/93/400398293.db2.gz QCZOJNSYHRICGZ-UHFFFAOYSA-N 1 0 321.424 3.370 10 0 DGAERO CCCC[N@H+](C)CCNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000602176705 400420981 /nfs/dbraw/zinc/42/09/81/400420981.db2.gz FDGJSQPDQNALRO-UHFFFAOYSA-N 1 0 307.825 3.283 10 0 DGAERO CCOC(=O)Cc1cn(CC2CC[NH+](C)CC2)c2ccccc12 ZINC000117717297 400421310 /nfs/dbraw/zinc/42/13/10/400421310.db2.gz OLIRZSUJTOZNJO-UHFFFAOYSA-N 1 0 314.429 3.089 10 0 DGAERO COC(=O)[C@H](C1CC1)[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611661759 400435372 /nfs/dbraw/zinc/43/53/72/400435372.db2.gz ZCEUPOWSHWYZJR-BZSNNMDCSA-N 1 0 317.429 3.038 10 0 DGAERO CC(C)[NH2+][C@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000590811341 400440446 /nfs/dbraw/zinc/44/04/46/400440446.db2.gz IKXVUILLHJXOJA-ZDUSSCGKSA-N 1 0 319.836 3.424 10 0 DGAERO c1cc(N2CCC(C[NH+]3CCCCCC3)CC2)nc(C2CC2)n1 ZINC000602543128 400491983 /nfs/dbraw/zinc/49/19/83/400491983.db2.gz PMGGGGRUHJIGIB-UHFFFAOYSA-N 1 0 314.477 3.446 10 0 DGAERO CC[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)c1nccs1 ZINC000130490925 400538780 /nfs/dbraw/zinc/53/87/80/400538780.db2.gz LZPXRZQUKMWKDB-CABCVRRESA-N 1 0 317.458 3.403 10 0 DGAERO CC[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)c1nccs1 ZINC000130490504 400539263 /nfs/dbraw/zinc/53/92/63/400539263.db2.gz LZPXRZQUKMWKDB-HUUCEWRRSA-N 1 0 317.458 3.403 10 0 DGAERO O[C@](CO[C@H]1C[NH+]2CCC1CC2)(c1ccccc1)C1CCCC1 ZINC000006116527 296587475 /nfs/dbraw/zinc/58/74/75/296587475.db2.gz GTKRIWMDLNOSLI-VQTJNVASSA-N 1 0 315.457 3.175 10 0 DGAERO [NH3+]Cc1nccc(Oc2ccc(OCc3ccccc3)cc2)n1 ZINC000142024173 400628139 /nfs/dbraw/zinc/62/81/39/400628139.db2.gz BTMZHLBQUUHUEY-UHFFFAOYSA-N 1 0 307.353 3.307 10 0 DGAERO CCCN(Cc1ccc(C)cc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612963910 400634693 /nfs/dbraw/zinc/63/46/93/400634693.db2.gz MMFBIMMFORNIBC-QGZVFWFLSA-N 1 0 315.461 3.059 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc2ccccc21 ZINC000139378668 400605848 /nfs/dbraw/zinc/60/58/48/400605848.db2.gz BIAAPEKFPVZRSA-ZBFHGGJFSA-N 1 0 311.429 3.294 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cccc(C)c2)[C@H](C)C1 ZINC000076481027 400657317 /nfs/dbraw/zinc/65/73/17/400657317.db2.gz ZPJOTACOMPJCLJ-AEFFLSMTSA-N 1 0 302.462 3.116 10 0 DGAERO c1c(C[NH2+]C2CCCC2)nnn1CCSCc1ccccc1 ZINC000603229925 400658508 /nfs/dbraw/zinc/65/85/08/400658508.db2.gz VXSDNSLWQNPFHS-UHFFFAOYSA-N 1 0 316.474 3.244 10 0 DGAERO CCOC(=O)c1nc(C[NH2+]CCCc2ccc(C)o2)sc1C ZINC000149503901 400659922 /nfs/dbraw/zinc/65/99/22/400659922.db2.gz PBBNFNIVQKNXCY-UHFFFAOYSA-N 1 0 322.430 3.252 10 0 DGAERO N#Cc1cccc(CO[C@H]2C[NH2+]C[C@H](Cc3ccccc3)C2)c1 ZINC000149632840 400660836 /nfs/dbraw/zinc/66/08/36/400660836.db2.gz ZSPZMNSDGUCQOM-WOJBJXKFSA-N 1 0 306.409 3.296 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000158588699 400725363 /nfs/dbraw/zinc/72/53/63/400725363.db2.gz MGEFNBLFYYBAFS-AWEZNQCLSA-N 1 0 307.438 3.213 10 0 DGAERO c1ccc(C[NH+]2CCC(Nc3ncnc4ccccc43)CC2)nc1 ZINC000052407602 400728830 /nfs/dbraw/zinc/72/88/30/400728830.db2.gz VTTBXGXCFYIINZ-UHFFFAOYSA-N 1 0 319.412 3.101 10 0 DGAERO CN(CC1CC1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604206908 400754607 /nfs/dbraw/zinc/75/46/07/400754607.db2.gz XGCKAUQPIMRXLO-GOSISDBHSA-N 1 0 315.461 3.265 10 0 DGAERO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000052659179 400743210 /nfs/dbraw/zinc/74/32/10/400743210.db2.gz QBTTVVAYOIGNLS-KBPBESRZSA-N 1 0 319.449 3.083 10 0 DGAERO c1n[nH]cc1C[NH2+]Cc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000603517738 400696863 /nfs/dbraw/zinc/69/68/63/400696863.db2.gz OAYPTSWMKFIHLQ-UHFFFAOYSA-N 1 0 303.369 3.243 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(Cl)c2cccnc12 ZINC000054307548 400817671 /nfs/dbraw/zinc/81/76/71/400817671.db2.gz RKSIHYJSMJFEFH-LLVKDONJSA-N 1 0 303.793 3.216 10 0 DGAERO Cc1ccc(SCC[NH2+]C[C@@H](O)COc2ccccc2)cc1 ZINC000169345720 400758157 /nfs/dbraw/zinc/75/81/57/400758157.db2.gz ZMNGWLNPYROVRI-MRXNPFEDSA-N 1 0 317.454 3.117 10 0 DGAERO Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1C(C)C ZINC000170865462 400777299 /nfs/dbraw/zinc/77/72/99/400777299.db2.gz ANWRCKMPDKMFLC-JKSUJKDBSA-N 1 0 318.461 3.048 10 0 DGAERO CSCc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000171282311 400792821 /nfs/dbraw/zinc/79/28/21/400792821.db2.gz NNNOUGSLVRNYJG-UHFFFAOYSA-N 1 0 307.463 3.108 10 0 DGAERO Cc1cc(N[C@H]2CCCN(c3cnn(C)c3)C2)c2ccccc2[nH+]1 ZINC000078368098 400793216 /nfs/dbraw/zinc/79/32/16/400793216.db2.gz OQFIHLNNIWYWJV-HNNXBMFYSA-N 1 0 321.428 3.358 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000172359758 400823287 /nfs/dbraw/zinc/82/32/87/400823287.db2.gz UAEKHPRVRPKCRE-LSDHHAIUSA-N 1 0 307.438 3.008 10 0 DGAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1cccc(Br)c1 ZINC000054686299 400835374 /nfs/dbraw/zinc/83/53/74/400835374.db2.gz QTSUNQZDVPZLSE-CABCVRRESA-N 1 0 306.203 3.053 10 0 DGAERO CC(C)[C@H](C)C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000172673582 400837117 /nfs/dbraw/zinc/83/71/17/400837117.db2.gz YNAHQYMCPNJSCD-MRXNPFEDSA-N 1 0 318.461 3.070 10 0 DGAERO COCCCC[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000605150276 400842598 /nfs/dbraw/zinc/84/25/98/400842598.db2.gz YICHIOUBMHBJLC-INIZCTEOSA-N 1 0 302.462 3.329 10 0 DGAERO COc1cccc(C[NH2+]CCN2CC=C(C)CC2)c1OC(C)C ZINC000358148484 285982570 /nfs/dbraw/zinc/98/25/70/285982570.db2.gz YGRASLASUOLADP-UHFFFAOYSA-N 1 0 318.461 3.224 10 0 DGAERO CCn1ccnc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338914 400941519 /nfs/dbraw/zinc/94/15/19/400941519.db2.gz NPJOMYKSTUBDLN-SJLPKXTDSA-N 1 0 312.461 3.046 10 0 DGAERO CC[N@@H+]1CC[C@H](NC(=O)c2cc3cccc(Cl)c3nc2C)C1 ZINC000633437191 400951597 /nfs/dbraw/zinc/95/15/97/400951597.db2.gz GARNOAJGHYRNGL-ZDUSSCGKSA-N 1 0 317.820 3.021 10 0 DGAERO C[C@H](CNC(=O)N[C@@H](C)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000079855624 400901458 /nfs/dbraw/zinc/90/14/58/400901458.db2.gz SZQDQYFDDXEOEO-KGLIPLIRSA-N 1 0 323.868 3.432 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)CC/C=C/c2ccccc2)C1 ZINC000606358607 400902536 /nfs/dbraw/zinc/90/25/36/400902536.db2.gz TZXMXISSJWMRHJ-WGLAMXGCSA-N 1 0 300.446 3.327 10 0 DGAERO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000606468209 400917988 /nfs/dbraw/zinc/91/79/88/400917988.db2.gz GBWKOIAEULKXEX-VQIMIIECSA-N 1 0 308.425 3.494 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000606713869 400953575 /nfs/dbraw/zinc/95/35/75/400953575.db2.gz VSAKOYVZIPKZJH-MRXNPFEDSA-N 1 0 317.477 3.082 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000606500073 400923164 /nfs/dbraw/zinc/92/31/64/400923164.db2.gz ZEXMEVDCHOXYRU-NXHRZFHOSA-N 1 0 315.461 3.025 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000606561485 400928065 /nfs/dbraw/zinc/92/80/65/400928065.db2.gz JEOWJTLVTFERLF-DLBZAZTESA-N 1 0 317.477 3.128 10 0 DGAERO C[C@@H]1[C@H](C)SCCN1Cc1ccncc1Br ZINC000625176400 401050824 /nfs/dbraw/zinc/05/08/24/401050824.db2.gz JAOKNZIHGSQQHI-ZJUUUORDSA-N 1 0 301.253 3.170 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1nnc(-c2ccccc2)o1 ZINC000607364504 401052957 /nfs/dbraw/zinc/05/29/57/401052957.db2.gz JRWKVIWHCBVALX-ZGKBOVNRSA-N 1 0 313.401 3.201 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cc(F)ccc2F)[C@@H](C)C1 ZINC000247482954 401056402 /nfs/dbraw/zinc/05/64/02/401056402.db2.gz SWXGNHACKIDWSZ-SUMWQHHRSA-N 1 0 324.415 3.086 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CCc2ccccc21 ZINC000081470328 401067563 /nfs/dbraw/zinc/06/75/63/401067563.db2.gz IOBFEUZZMGQSAC-LJQANCHMSA-N 1 0 304.397 3.104 10 0 DGAERO O[C@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](CCc2ccccc2F)C1 ZINC000248767306 401076892 /nfs/dbraw/zinc/07/68/92/401076892.db2.gz XECAZJSXDMAZMI-KSSFIOAISA-N 1 0 321.342 3.454 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cncc(C)c1)c1ccccc1 ZINC000615442420 401078421 /nfs/dbraw/zinc/07/84/21/401078421.db2.gz IVZGSJHIGRWOOD-KRWDZBQOSA-N 1 0 312.413 3.420 10 0 DGAERO CC[C@H](C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000246946356 401041503 /nfs/dbraw/zinc/04/15/03/401041503.db2.gz JBUHWVHEAWYTJM-SZMVWBNQSA-N 1 0 302.462 3.417 10 0 DGAERO CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Cl)ccc1OC ZINC000358233296 286005827 /nfs/dbraw/zinc/00/58/27/286005827.db2.gz OCOGKPUALDYQAH-JQWIXIFHSA-N 1 0 311.731 3.313 10 0 DGAERO C[C@H]1Cc2ccccc2N1C1CC[NH+](CCOCC2CC2)CC1 ZINC000607727828 401110143 /nfs/dbraw/zinc/11/01/43/401110143.db2.gz OXBWWAMHYKBDBQ-INIZCTEOSA-N 1 0 314.473 3.329 10 0 DGAERO C[C@H]1CN(C[C@H](O)C[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000261401873 401111956 /nfs/dbraw/zinc/11/19/56/401111956.db2.gz SGGLCUIVKXUSOF-FUHWJXTLSA-N 1 0 310.441 3.103 10 0 DGAERO CSCCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000060534136 401124741 /nfs/dbraw/zinc/12/47/41/401124741.db2.gz JKXPUNIGNMWPCQ-UHFFFAOYSA-N 1 0 320.502 3.288 10 0 DGAERO CC[C@H]([NH2+]CCN1CC=C(C)CC1)c1ccc(OC)c(OC)c1 ZINC000358223520 286002592 /nfs/dbraw/zinc/00/25/92/286002592.db2.gz JIYWRAHGBKGCSO-KRWDZBQOSA-N 1 0 318.461 3.397 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+]CCN2CC=C(C)CC2)c1 ZINC000358225388 286003165 /nfs/dbraw/zinc/00/31/65/286003165.db2.gz KOKZMLCFCGKETQ-HNNXBMFYSA-N 1 0 304.434 3.006 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000252667193 401097027 /nfs/dbraw/zinc/09/70/27/401097027.db2.gz GPHROWHXICOFLT-DGCLKSJQSA-N 1 0 317.260 3.365 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCN2CC=C(C)CC2)c(OC)c1 ZINC000358239088 286007655 /nfs/dbraw/zinc/00/76/55/286007655.db2.gz OPXMAOAHYPDMOH-OAHLLOKOSA-N 1 0 304.434 3.006 10 0 DGAERO C(c1nc(C2CCCC2)no1)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000625634784 401166220 /nfs/dbraw/zinc/16/62/20/401166220.db2.gz USQMYRIJQOAAAB-INIZCTEOSA-N 1 0 319.449 3.161 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(-n2cncn2)cc1 ZINC000358287165 286020887 /nfs/dbraw/zinc/02/08/87/286020887.db2.gz ALICWRABSLQROT-TZMCWYRMSA-N 1 0 306.360 3.496 10 0 DGAERO c1ccc(-c2noc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)n2)cc1 ZINC000625771637 401210824 /nfs/dbraw/zinc/21/08/24/401210824.db2.gz ORSUMAGLTHEIRC-KGLIPLIRSA-N 1 0 301.415 3.207 10 0 DGAERO CCSC1(C[NH2+]C[C@@H]2CCCO[C@H]2c2cnn(CC)c2)CC1 ZINC000594992442 401220410 /nfs/dbraw/zinc/22/04/10/401220410.db2.gz RMKAOBFESGECFY-GOEBONIOSA-N 1 0 323.506 3.246 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CCCSC2)n(CCc2ccccc2)n1 ZINC000621355384 401180870 /nfs/dbraw/zinc/18/08/70/401180870.db2.gz KVIWZLHGRYKTRE-KRWDZBQOSA-N 1 0 315.486 3.359 10 0 DGAERO CC[NH+](CC)CC1CCN(c2nc(-c3ccccc3)no2)CC1 ZINC000608079956 401182371 /nfs/dbraw/zinc/18/23/71/401182371.db2.gz RBHDEHHXFNNMBU-UHFFFAOYSA-N 1 0 314.433 3.295 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)co1 ZINC000065286845 401263711 /nfs/dbraw/zinc/26/37/11/401263711.db2.gz VQMNKNAMIPNNNM-INIZCTEOSA-N 1 0 308.385 3.444 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634737547 401343029 /nfs/dbraw/zinc/34/30/29/401343029.db2.gz UKWBLCIHPKLDPO-NHYWBVRUSA-N 1 0 323.234 3.086 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@@](C)(O)CCC(C)C)c2ccccc21 ZINC000621753319 401294819 /nfs/dbraw/zinc/29/48/19/401294819.db2.gz MDZRKUGHSJEXSN-MJGOQNOKSA-N 1 0 318.461 3.261 10 0 DGAERO c1coc(CNc2cccc(-c3cn([C@H]4CCC[NH2+]C4)nn3)c2)c1 ZINC000630597408 401294928 /nfs/dbraw/zinc/29/49/28/401294928.db2.gz ZWXLPAJXESJSHU-INIZCTEOSA-N 1 0 323.400 3.075 10 0 DGAERO CC(=O)N1CCC(C[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631064583 401381868 /nfs/dbraw/zinc/38/18/68/401381868.db2.gz DFUVJDWCRPZWQE-UHFFFAOYSA-N 1 0 320.820 3.434 10 0 DGAERO Brc1cccc([C@@H]2CCCN2CC23CC(C2)C[NH2+]3)c1 ZINC000634991860 401397747 /nfs/dbraw/zinc/39/77/47/401397747.db2.gz UMNADYFXWZPPBR-NRAUKZCXSA-N 1 0 321.262 3.338 10 0 DGAERO c1cc(C[NH2+]CCc2ccc3[nH]ccc3c2)n(CC2CCC2)n1 ZINC000631127757 401403351 /nfs/dbraw/zinc/40/33/51/401403351.db2.gz SBIWMZLYEJWFFI-UHFFFAOYSA-N 1 0 308.429 3.497 10 0 DGAERO Cc1ccc(S[C@H](C)C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261805816 292189547 /nfs/dbraw/zinc/18/95/47/292189547.db2.gz MXMVUGCAPCPIHM-RRFJBIMHSA-N 1 0 306.475 3.061 10 0 DGAERO c1cc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)n(CC2CCC2)n1 ZINC000631177827 401416819 /nfs/dbraw/zinc/41/68/19/401416819.db2.gz HARQDCGMGOGEJO-LJQANCHMSA-N 1 0 324.472 3.047 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[C@@H](O)C(F)F ZINC000631217017 401428795 /nfs/dbraw/zinc/42/87/95/401428795.db2.gz TVQFPZCGKDFWHB-ZJNQMXKESA-N 1 0 321.314 3.297 10 0 DGAERO c1nc2cnccn2c1C[NH2+][C@@H]1C[C@@H](Sc2ccccc2)C1 ZINC000631251913 401437897 /nfs/dbraw/zinc/43/78/97/401437897.db2.gz JGKIVEPEORXQDA-SAZUREKKSA-N 1 0 310.426 3.142 10 0 DGAERO c1cn(-c2csc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)c2)cn1 ZINC000631254146 401438570 /nfs/dbraw/zinc/43/85/70/401438570.db2.gz JVWBVRDRUWJXMD-IAGOWNOFSA-N 1 0 317.458 3.371 10 0 DGAERO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000631298492 401447673 /nfs/dbraw/zinc/44/76/73/401447673.db2.gz LNJNLMTZBDOCEB-AWEZNQCLSA-N 1 0 311.414 3.026 10 0 DGAERO CCC1([NH+](C)C)CCN(c2ccncc2Br)CC1 ZINC000631477889 401477757 /nfs/dbraw/zinc/47/77/57/401477757.db2.gz XQLQVALHWROZAU-UHFFFAOYSA-N 1 0 312.255 3.155 10 0 DGAERO CCC1([NH+](C)C)CCN(c2ncnc3c(F)cccc32)CC1 ZINC000631477415 401477963 /nfs/dbraw/zinc/47/79/63/401477963.db2.gz BJMSZIAMCLXROK-UHFFFAOYSA-N 1 0 302.397 3.080 10 0 DGAERO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccccc1Br ZINC000631696716 401538184 /nfs/dbraw/zinc/53/81/84/401538184.db2.gz SNBNGRSNFMBAJY-KWQFWETISA-N 1 0 308.166 3.116 10 0 DGAERO c1cnc2c(c1)[C@@H]([NH2+][C@@H]1CCO[C@H](c3ccncc3)C1)CCC2 ZINC000631644557 401522637 /nfs/dbraw/zinc/52/26/37/401522637.db2.gz UYGQYULMIPYLMX-MNEFBYGVSA-N 1 0 309.413 3.364 10 0 DGAERO c1ccc2c(CC[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)nsc2c1 ZINC000631648724 401523216 /nfs/dbraw/zinc/52/32/16/401523216.db2.gz OKDMGZWDHBJWCJ-JQFCIGGWSA-N 1 0 314.454 3.386 10 0 DGAERO Cc1cc(C[NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)ccn1 ZINC000623496520 401532290 /nfs/dbraw/zinc/53/22/90/401532290.db2.gz ZNJONGOQPQSKIF-HXUWFJFHSA-N 1 0 309.457 3.390 10 0 DGAERO c1csc(-c2nc(CN3CCC[C@@H]4C[NH2+]CC[C@@H]43)cs2)c1 ZINC000631889266 401564701 /nfs/dbraw/zinc/56/47/01/401564701.db2.gz GVCUCADVFHSCHO-OCCSQVGLSA-N 1 0 319.499 3.446 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc(-c3ccc[nH]3)cc2)CC1 ZINC000358483882 286074107 /nfs/dbraw/zinc/07/41/07/286074107.db2.gz APXGDRKXJGORRM-UHFFFAOYSA-N 1 0 324.428 3.455 10 0 DGAERO Fc1c(Br)cccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000623754478 401576346 /nfs/dbraw/zinc/57/63/46/401576346.db2.gz OVTLEMAQXSYULX-DGCLKSJQSA-N 1 0 314.198 3.245 10 0 DGAERO c1cc(C[NH2+][C@H]2CCCC23CCOCC3)c2c(c1)COCC2 ZINC000631732887 401546385 /nfs/dbraw/zinc/54/63/85/401546385.db2.gz RSPUYBWHKWWAIG-SFHVURJKSA-N 1 0 301.430 3.198 10 0 DGAERO c1cc2cc(C[NH+]3CCN(c4cc(C5CC5)[nH]n4)CC3)ccc2[nH]1 ZINC000628241793 401558913 /nfs/dbraw/zinc/55/89/13/401558913.db2.gz HTJZTUHQQMBGPU-UHFFFAOYSA-N 1 0 321.428 3.091 10 0 DGAERO CSc1cccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1C ZINC000358486491 286075024 /nfs/dbraw/zinc/07/50/24/286075024.db2.gz UDISTFSPFGKEIH-UHFFFAOYSA-N 1 0 319.474 3.490 10 0 DGAERO Cc1scc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000358570554 286096072 /nfs/dbraw/zinc/09/60/72/286096072.db2.gz JISNJOKOLULHFM-RWMBFGLXSA-N 1 0 308.491 3.461 10 0 DGAERO Cc1ccc([C@@H]([NH2+]C[C@H](C)N2CCOCC2)C2CCC2)cc1 ZINC000186966586 292205028 /nfs/dbraw/zinc/20/50/28/292205028.db2.gz ZAHDVYKXQOBLPG-LPHOPBHVSA-N 1 0 302.462 3.147 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccccc2)C[C@@H]1C ZINC000358788187 286154406 /nfs/dbraw/zinc/15/44/06/286154406.db2.gz MUBNNDINZDJITK-BQFCYCMXSA-N 1 0 302.462 3.196 10 0 DGAERO CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccc(F)cc1 ZINC000358789582 286154659 /nfs/dbraw/zinc/15/46/59/286154659.db2.gz HTGOFGBCZUMJRX-NSHDSACASA-N 1 0 308.426 3.146 10 0 DGAERO C[C@@H](CSc1nc(C2CC2)n(-c2ccccc2)n1)[NH+](C)C ZINC000358863728 286171957 /nfs/dbraw/zinc/17/19/57/286171957.db2.gz RKKYKGOXWKWSOA-LBPRGKRZSA-N 1 0 302.447 3.187 10 0 DGAERO CCO[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC000119436467 286188115 /nfs/dbraw/zinc/18/81/15/286188115.db2.gz YYTCZUAGALWJJX-QZTJIDSGSA-N 1 0 318.461 3.001 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@H]1CCCOC1 ZINC000358919877 286187642 /nfs/dbraw/zinc/18/76/42/286187642.db2.gz YQUQZDODJUBWCN-CRAIPNDOSA-N 1 0 311.429 3.266 10 0 DGAERO COC1(C[NH2+]Cc2ncc(Br)s2)CCCCC1 ZINC000358962570 286199454 /nfs/dbraw/zinc/19/94/54/286199454.db2.gz HCSXYKGBFFPFQE-UHFFFAOYSA-N 1 0 319.268 3.345 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CC[C@@H]1CCOC1 ZINC000359002203 286211573 /nfs/dbraw/zinc/21/15/73/286211573.db2.gz LJXNKIQNHGWHBK-QAPCUYQASA-N 1 0 311.429 3.266 10 0 DGAERO COc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1F ZINC000187125953 286234852 /nfs/dbraw/zinc/23/48/52/286234852.db2.gz BPJLXLDCWCFUCN-ZDUSSCGKSA-N 1 0 323.412 3.220 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000458414866 292239523 /nfs/dbraw/zinc/23/95/23/292239523.db2.gz LJVKLRONTBOWNJ-AEFFLSMTSA-N 1 0 317.477 3.223 10 0 DGAERO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359205153 286260757 /nfs/dbraw/zinc/26/07/57/286260757.db2.gz FDLKXSKMBHQLKM-BMGDILEWSA-N 1 0 317.408 3.053 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cnccc2C)C12CCOCC2 ZINC000274406297 286288590 /nfs/dbraw/zinc/28/85/90/286288590.db2.gz FYZWHFNZUVGAPX-USXIJHARSA-N 1 0 304.434 3.015 10 0 DGAERO CCCN1CCC[C@H]1C(=O)Nc1ncc(-c2ccccn2)s1 ZINC000359385660 286297416 /nfs/dbraw/zinc/29/74/16/286297416.db2.gz IMORDTXELZYDBZ-ZDUSSCGKSA-N 1 0 316.430 3.018 10 0 DGAERO Cc1ccc([C@H]([NH2+]C[C@@H](C)N2CCOCC2)C2CCC2)cc1 ZINC000186966531 292259578 /nfs/dbraw/zinc/25/95/78/292259578.db2.gz ZAHDVYKXQOBLPG-VQIMIIECSA-N 1 0 302.462 3.147 10 0 DGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1(C(F)(F)F)CCC1 ZINC000359759059 286376262 /nfs/dbraw/zinc/37/62/62/286376262.db2.gz SOVXOQVAPRGCTE-GFCCVEGCSA-N 1 0 306.372 3.100 10 0 DGAERO COc1cccc(C[NH2+]CCc2ccccc2Br)n1 ZINC000359768079 286377795 /nfs/dbraw/zinc/37/77/95/286377795.db2.gz QCSFSQLVBSOMIV-UHFFFAOYSA-N 1 0 321.218 3.185 10 0 DGAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ncc(Br)s2)C1(C)C ZINC000359931530 286390956 /nfs/dbraw/zinc/39/09/56/286390956.db2.gz KQFPUYSJCXOLNU-BKDNQFJXSA-N 1 0 319.268 3.055 10 0 DGAERO CC[NH+](CC)CC1CCN(c2nnc(C(F)F)s2)CC1 ZINC000360956144 286561974 /nfs/dbraw/zinc/56/19/74/286561974.db2.gz YTSVVKMBWWPZES-UHFFFAOYSA-N 1 0 304.410 3.034 10 0 DGAERO C[C@@H]([NH2+]Cc1cncc(Br)c1)c1cncc(F)c1 ZINC000361133797 286605686 /nfs/dbraw/zinc/60/56/86/286605686.db2.gz ZOIHKQQCWWWDPM-SECBINFHSA-N 1 0 310.170 3.229 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CCCOC1CCOCC1)CCCO2 ZINC000090083664 292367642 /nfs/dbraw/zinc/36/76/42/292367642.db2.gz JBRORDYOMCQNRO-GOSISDBHSA-N 1 0 319.445 3.384 10 0 DGAERO C[C@@H]1CCc2c(C(=O)N3CC[C@H](C)C[C@H]3C[NH3+])csc2C1 ZINC000261712382 296761516 /nfs/dbraw/zinc/76/15/16/296761516.db2.gz GINPQFSJBMJCGS-AGIUHOORSA-N 1 0 306.475 3.072 10 0 DGAERO Cc1ccc2ncnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)c2c1 ZINC000488718149 292399039 /nfs/dbraw/zinc/39/90/39/292399039.db2.gz WLNBJCAWRLYDMJ-OAHLLOKOSA-N 1 0 310.445 3.249 10 0 DGAERO c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000361890766 286739963 /nfs/dbraw/zinc/73/99/63/286739963.db2.gz VITDZBWLTWWBJH-BRWVUGGUSA-N 1 0 313.445 3.221 10 0 DGAERO COc1cccc(CC[NH2+][C@H]2CCCc3nc(C)sc32)n1 ZINC000361924364 286745372 /nfs/dbraw/zinc/74/53/72/286745372.db2.gz NEPAZOAHQPEQAB-ZDUSSCGKSA-N 1 0 303.431 3.065 10 0 DGAERO c1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)c1)OCO2 ZINC000361896998 286741076 /nfs/dbraw/zinc/74/10/76/286741076.db2.gz OJEDDUFKSWHPRT-VNQPRFMTSA-N 1 0 303.402 3.100 10 0 DGAERO C[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000123684393 286749665 /nfs/dbraw/zinc/74/96/65/286749665.db2.gz FXFPYZOUSXSCRQ-AEFFLSMTSA-N 1 0 300.446 3.267 10 0 DGAERO C[C@@H](C(=O)N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCCCC1 ZINC000172092949 286751429 /nfs/dbraw/zinc/75/14/29/286751429.db2.gz DUMWCOUYXIIVPW-STQMWFEESA-N 1 0 306.372 3.052 10 0 DGAERO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000364305684 287010300 /nfs/dbraw/zinc/01/03/00/287010300.db2.gz LIHDVOZXXLJOMV-LWYYNNOASA-N 1 0 315.457 3.326 10 0 DGAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)C1(c2ccccc2)CCCC1 ZINC000186755634 287013005 /nfs/dbraw/zinc/01/30/05/287013005.db2.gz VLOKBUJQCREVOS-OAHLLOKOSA-N 1 0 315.461 3.020 10 0 DGAERO C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CSCCS1 ZINC000364379278 287019859 /nfs/dbraw/zinc/01/98/59/287019859.db2.gz BBSARTOGVCZHLY-TUVASFSCSA-N 1 0 301.521 3.020 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1nc3ccccc3[nH]1)CC2 ZINC000364387330 287021126 /nfs/dbraw/zinc/02/11/26/287021126.db2.gz PPRABLVWLHADKR-LLVKDONJSA-N 1 0 323.400 3.153 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000085358104 164568516 /nfs/dbraw/zinc/56/85/16/164568516.db2.gz DWRBMJKFYSXZPS-LDYMZIIASA-N 1 0 306.715 3.425 10 0 DGAERO CCC[C@H]1C[NH2+]CCN1Cc1ccc(F)cc1Br ZINC000085451113 164568564 /nfs/dbraw/zinc/56/85/64/164568564.db2.gz IZXHOMJEOFWZKF-ZDUSSCGKSA-N 1 0 315.230 3.162 10 0 DGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000166453424 164601744 /nfs/dbraw/zinc/60/17/44/164601744.db2.gz PDMMLWMKPQJHMI-FUHWJXTLSA-N 1 0 312.461 3.357 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1 ZINC000166476062 164602388 /nfs/dbraw/zinc/60/23/88/164602388.db2.gz RDOAVTFWTOQLMJ-PKOBYXMFSA-N 1 0 312.461 3.438 10 0 DGAERO C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)C1CCS(=O)(=O)CC1 ZINC000250127596 287071107 /nfs/dbraw/zinc/07/11/07/287071107.db2.gz WLGBRQSJINNNGA-LBTNJELSSA-N 1 0 321.486 3.428 10 0 DGAERO C[NH+](C)C[C@@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000173744779 164705639 /nfs/dbraw/zinc/70/56/39/164705639.db2.gz SNKYBTXYKOGSAX-ZDUSSCGKSA-N 1 0 319.836 3.379 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1coc(-c2cccc(F)c2)n1 ZINC000175353998 164755603 /nfs/dbraw/zinc/75/56/03/164755603.db2.gz TYLODFJCJHNOQX-QGZVFWFLSA-N 1 0 317.408 3.397 10 0 DGAERO CCn1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000177026962 164796983 /nfs/dbraw/zinc/79/69/83/164796983.db2.gz BYNSWEVCMZOZGH-OAHLLOKOSA-N 1 0 313.445 3.218 10 0 DGAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)C3CCC3)C2)c1 ZINC000178443163 164837790 /nfs/dbraw/zinc/83/77/90/164837790.db2.gz CKVXTZAFTHJGES-CABCVRRESA-N 1 0 318.461 3.308 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178862916 164849373 /nfs/dbraw/zinc/84/93/73/164849373.db2.gz WEIBQHBRENGNSE-LLVKDONJSA-N 1 0 321.490 3.309 10 0 DGAERO CC(C)[C@H](CSc1ccccc1)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000180585506 164888170 /nfs/dbraw/zinc/88/81/70/164888170.db2.gz CZVFVOKQZPSSSQ-HOCLYGCPSA-N 1 0 306.475 3.014 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000182088156 164928545 /nfs/dbraw/zinc/92/85/45/164928545.db2.gz RPLTXVFASWYSIA-CQSZACIVSA-N 1 0 319.424 3.338 10 0 DGAERO CC(C)CCC[C@@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185281677 164998403 /nfs/dbraw/zinc/99/84/03/164998403.db2.gz DZVKXOSKODRBBW-OAHLLOKOSA-N 1 0 323.456 3.362 10 0 DGAERO CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185556121 165007771 /nfs/dbraw/zinc/00/77/71/165007771.db2.gz BVGVSDMESHPSQQ-UXLLHSPISA-N 1 0 318.461 3.226 10 0 DGAERO CCc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)cc1 ZINC000185593718 165008910 /nfs/dbraw/zinc/00/89/10/165008910.db2.gz XDKCXRICDMEVMJ-RDTXWAMCSA-N 1 0 324.424 3.342 10 0 DGAERO CC(=O)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000185647460 165011492 /nfs/dbraw/zinc/01/14/92/165011492.db2.gz RSPOQSCWXDHLLQ-UGSOOPFHSA-N 1 0 311.381 3.266 10 0 DGAERO CC(C)CCNC(=O)[C@@H](C)N1Cc2ccccc2C2(CC2)C1 ZINC000186176102 165030567 /nfs/dbraw/zinc/03/05/67/165030567.db2.gz GQFAOOXIPLAKSV-OAHLLOKOSA-N 1 0 300.446 3.085 10 0 DGAERO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186170295 165030693 /nfs/dbraw/zinc/03/06/93/165030693.db2.gz KIDYGORIIGNZDS-INIZCTEOSA-N 1 0 312.457 3.181 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3ccccc32)C12CCOCC2 ZINC000186332030 165039897 /nfs/dbraw/zinc/03/98/97/165039897.db2.gz MMKAHFXXIUQAPL-YTQUADARSA-N 1 0 315.457 3.280 10 0 DGAERO O=C(c1cccc(C(F)(F)F)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186527975 165048566 /nfs/dbraw/zinc/04/85/66/165048566.db2.gz DIPAXPIZLRUOAD-ZDUSSCGKSA-N 1 0 312.335 3.062 10 0 DGAERO O=C(c1cc(Cl)cc(Cl)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186518573 165048842 /nfs/dbraw/zinc/04/88/42/165048842.db2.gz UWJDASFLUCPVPV-ZDUSSCGKSA-N 1 0 313.228 3.350 10 0 DGAERO O=C(c1ccc(Cl)c(Cl)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186551642 165050441 /nfs/dbraw/zinc/05/04/41/165050441.db2.gz PSYUZCUSAWFCMD-NSHDSACASA-N 1 0 313.228 3.350 10 0 DGAERO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)n1 ZINC000186582748 165050452 /nfs/dbraw/zinc/05/04/52/165050452.db2.gz BOJLWDXXVXQYOZ-INIZCTEOSA-N 1 0 321.428 3.472 10 0 DGAERO C[C@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1CCOCC1 ZINC000186817613 165061078 /nfs/dbraw/zinc/06/10/78/165061078.db2.gz MPACHGCJTCGTKE-INIZCTEOSA-N 1 0 324.509 3.210 10 0 DGAERO Cc1ncsc1CN(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000187010712 165071446 /nfs/dbraw/zinc/07/14/46/165071446.db2.gz KHKOBQSRGDMNPF-UHFFFAOYSA-N 1 0 307.438 3.154 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3ccoc3)no2)C1(CC)CC ZINC000187051854 165075294 /nfs/dbraw/zinc/07/52/94/165075294.db2.gz LUEJHCVMJMRDKM-ZIAGYGMSSA-N 1 0 319.405 3.403 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc2ccc(OC)cc2s1 ZINC000187109287 165076995 /nfs/dbraw/zinc/07/69/95/165076995.db2.gz YGSHCUZVWDYVSS-CYBMUJFWSA-N 1 0 319.474 3.221 10 0 DGAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000187120049 165077478 /nfs/dbraw/zinc/07/74/78/165077478.db2.gz GWMZOUIWTRQZPV-KSSFIOAISA-N 1 0 312.413 3.414 10 0 DGAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000187120067 165077489 /nfs/dbraw/zinc/07/74/89/165077489.db2.gz GWMZOUIWTRQZPV-KDOFPFPSSA-N 1 0 312.413 3.414 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(C)n1 ZINC000187162769 165077996 /nfs/dbraw/zinc/07/79/96/165077996.db2.gz GVJKPASBHCJKFC-SJORKVTESA-N 1 0 300.402 3.380 10 0 DGAERO CN(CC[N@H+](C)CCC1CCOCC1)Cc1ccc(F)cc1 ZINC000187156991 165078019 /nfs/dbraw/zinc/07/80/19/165078019.db2.gz LNBFCWDAVJESKW-UHFFFAOYSA-N 1 0 308.441 3.006 10 0 DGAERO Cc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(C)n1 ZINC000187137981 165078368 /nfs/dbraw/zinc/07/83/68/165078368.db2.gz BRDBLJGMSMSNNN-LJQANCHMSA-N 1 0 318.461 3.249 10 0 DGAERO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000187190116 165080352 /nfs/dbraw/zinc/08/03/52/165080352.db2.gz FVEUSJDZNIHBFQ-PXAZEXFGSA-N 1 0 309.356 3.039 10 0 DGAERO c1ccc(COCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000365053911 287091549 /nfs/dbraw/zinc/09/15/49/287091549.db2.gz LAAUOVMQGFVWFF-GUDVDZBRSA-N 1 0 303.446 3.388 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)C1CCSCC1 ZINC000187206981 165081174 /nfs/dbraw/zinc/08/11/74/165081174.db2.gz BWJWZWTZADKEEE-WMLDXEAASA-N 1 0 318.486 3.303 10 0 DGAERO CC(C)[C@](C)(O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000187258637 165083317 /nfs/dbraw/zinc/08/33/17/165083317.db2.gz IPQNFLSFRHPZOB-GOSISDBHSA-N 1 0 301.434 3.149 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCCc3ccccc3)[C@@H]2C1 ZINC000187330533 165087293 /nfs/dbraw/zinc/08/72/93/165087293.db2.gz WRJAGYFJSPBELT-GUDVDZBRSA-N 1 0 303.446 3.278 10 0 DGAERO COCCC1(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)CCCCC1 ZINC000187332192 165087415 /nfs/dbraw/zinc/08/74/15/165087415.db2.gz PKEQPDJPVVTMRG-MRXNPFEDSA-N 1 0 305.466 3.196 10 0 DGAERO COCCC1(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)CCCCC1 ZINC000187332212 165087531 /nfs/dbraw/zinc/08/75/31/165087531.db2.gz PKEQPDJPVVTMRG-INIZCTEOSA-N 1 0 305.466 3.196 10 0 DGAERO C[N@H+](CCN(Cc1ccccn1)C1CC1)Cc1ccc(F)cc1 ZINC000187396761 165089368 /nfs/dbraw/zinc/08/93/68/165089368.db2.gz JUEMQDMFLNYAHJ-UHFFFAOYSA-N 1 0 313.420 3.317 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC1=CCCOC1 ZINC000187641974 165099683 /nfs/dbraw/zinc/09/96/83/165099683.db2.gz MNCQZUJSJGWHOQ-ULQDDVLXSA-N 1 0 321.461 3.308 10 0 DGAERO [NH3+]Cc1cc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)co1 ZINC000187995268 165108437 /nfs/dbraw/zinc/10/84/37/165108437.db2.gz YMWUBPYOZTUDFH-UHFFFAOYSA-N 1 0 322.364 3.197 10 0 DGAERO Cc1cccc2c1OCC[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000188094836 165112822 /nfs/dbraw/zinc/11/28/22/165112822.db2.gz CYXDKUJUYMIEFV-SFHVURJKSA-N 1 0 324.424 3.310 10 0 DGAERO Cc1cn2c(C[NH+]3CCC([C@@H]4CCCO4)CC3)c(C)nc2s1 ZINC000188260745 165117816 /nfs/dbraw/zinc/11/78/16/165117816.db2.gz SZASTUSRPFROOS-INIZCTEOSA-N 1 0 319.474 3.404 10 0 DGAERO O=C(/C=C/Sc1ccccc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188689248 165132518 /nfs/dbraw/zinc/13/25/18/165132518.db2.gz POOOCOUZPNCIIR-CMDGGOBGSA-N 1 0 310.422 3.212 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000188708760 165134126 /nfs/dbraw/zinc/13/41/26/165134126.db2.gz BDIBBUJMNRBZQK-NTEUORMPSA-N 1 0 322.408 3.018 10 0 DGAERO CCCCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188964115 165142814 /nfs/dbraw/zinc/14/28/14/165142814.db2.gz CWKIQHWHODLAGR-XJKSGUPXSA-N 1 0 310.388 3.107 10 0 DGAERO O=C(CCC1CCC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188966458 165143087 /nfs/dbraw/zinc/14/30/87/165143087.db2.gz LIERFTQENVIXOH-RHSMWYFYSA-N 1 0 322.399 3.107 10 0 DGAERO COCCC1(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)CCCCC1 ZINC000189211178 165154104 /nfs/dbraw/zinc/15/41/04/165154104.db2.gz ZVWCXZKWSNUJLQ-MSOLQXFVSA-N 1 0 303.446 3.221 10 0 DGAERO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000189354572 165157618 /nfs/dbraw/zinc/15/76/18/165157618.db2.gz LJTJQVUULAIIRM-IAGOWNOFSA-N 1 0 300.377 3.137 10 0 DGAERO CC(C)NC(=O)CCN1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189485525 165165163 /nfs/dbraw/zinc/16/51/63/165165163.db2.gz DYHRHADCFZXIRK-BBRMVZONSA-N 1 0 324.852 3.017 10 0 DGAERO c1ccc(NCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)nc1 ZINC000365074950 287094584 /nfs/dbraw/zinc/09/45/84/287094584.db2.gz XRCPGIGYCFGIRE-GVDBMIGSSA-N 1 0 303.450 3.069 10 0 DGAERO CC[C@@]1(CO)CCC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000189665498 165172680 /nfs/dbraw/zinc/17/26/80/165172680.db2.gz DRGVUZVTHHOWAU-KRWDZBQOSA-N 1 0 304.365 3.218 10 0 DGAERO CC(C)(C)c1n[nH]cc1C[NH+]1CCC(Nc2nccs2)CC1 ZINC000189957696 165184473 /nfs/dbraw/zinc/18/44/73/165184473.db2.gz CVIZYSIWHWLKPL-UHFFFAOYSA-N 1 0 319.478 3.240 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000190013234 165186250 /nfs/dbraw/zinc/18/62/50/165186250.db2.gz WCVBYTRCORHOPJ-UHFFFAOYSA-N 1 0 321.465 3.176 10 0 DGAERO C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)[C@@H]1CO ZINC000190344234 165199105 /nfs/dbraw/zinc/19/91/05/165199105.db2.gz BLDUQMLALICMDX-SMDDNHRTSA-N 1 0 306.793 3.198 10 0 DGAERO COc1ccnc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1OC ZINC000190560904 165208480 /nfs/dbraw/zinc/20/84/80/165208480.db2.gz CEQCVPMJPVOTQQ-SFHVURJKSA-N 1 0 302.418 3.421 10 0 DGAERO CC1(C)CN(Cc2nc(-c3ccco3)no2)CC2(CCCC2)O1 ZINC000190952180 165222393 /nfs/dbraw/zinc/22/23/93/165222393.db2.gz CAFLPFKTKKNOQK-UHFFFAOYSA-N 1 0 317.389 3.253 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000191078248 165229407 /nfs/dbraw/zinc/22/94/07/165229407.db2.gz WRWAOCZZVMFHSV-KXBFYZLASA-N 1 0 313.445 3.464 10 0 DGAERO C[N@@H+](Cc1ccc(-c2ccncc2)cc1F)CC1CC(O)C1 ZINC000191165350 165232972 /nfs/dbraw/zinc/23/29/72/165232972.db2.gz CIAJDXINWNQCRA-UHFFFAOYSA-N 1 0 300.377 3.090 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(Br)o1 ZINC000191173083 165233446 /nfs/dbraw/zinc/23/34/46/165233446.db2.gz WQGCOICIAIHBGB-ZDUSSCGKSA-N 1 0 304.228 3.319 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191172977 165233555 /nfs/dbraw/zinc/23/35/55/165233555.db2.gz XGNPNIROJJOTIO-SFHVURJKSA-N 1 0 301.434 3.149 10 0 DGAERO CC(C)N(C)c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cn1 ZINC000191303878 165241928 /nfs/dbraw/zinc/24/19/28/165241928.db2.gz XLHRWXDNVOUJQJ-UHFFFAOYSA-N 1 0 313.449 3.029 10 0 DGAERO CC1(C)C[N@H+](Cc2cccc(C(N)=O)c2)CC[C@H]1C(F)(F)F ZINC000191659844 165262810 /nfs/dbraw/zinc/26/28/10/165262810.db2.gz IEOHFDDCJAYWLL-CYBMUJFWSA-N 1 0 314.351 3.196 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000191621128 165263280 /nfs/dbraw/zinc/26/32/80/165263280.db2.gz PXJBVLNJXQLQIP-KSSFIOAISA-N 1 0 315.461 3.188 10 0 DGAERO Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C1CCC(CO)CC1 ZINC000192119818 165282879 /nfs/dbraw/zinc/28/28/79/165282879.db2.gz KSHRQOYKSHUGEE-UHFFFAOYSA-N 1 0 313.445 3.164 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(c2ncnc3c(C)csc32)C1 ZINC000192634852 165300752 /nfs/dbraw/zinc/30/07/52/165300752.db2.gz OWIYMODTDKUAHD-ZDUSSCGKSA-N 1 0 304.463 3.168 10 0 DGAERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(F)ccc1F ZINC000192711689 165304319 /nfs/dbraw/zinc/30/43/19/165304319.db2.gz QWDSTRRCAAEBMW-GFCCVEGCSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCC2 ZINC000192709919 165304556 /nfs/dbraw/zinc/30/45/56/165304556.db2.gz BRGXMYDXQHTISA-HNNXBMFYSA-N 1 0 322.456 3.285 10 0 DGAERO O=C1[C@H]([NH2+]Cc2sccc2Cl)CCCN1c1cccnc1 ZINC000193207775 165320432 /nfs/dbraw/zinc/32/04/32/165320432.db2.gz KPQQBRKHYFBYJA-CYBMUJFWSA-N 1 0 321.833 3.082 10 0 DGAERO COc1ncccc1CN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000193458624 165326202 /nfs/dbraw/zinc/32/62/02/165326202.db2.gz IHHPWCYYZBHHJL-QGZVFWFLSA-N 1 0 316.376 3.111 10 0 DGAERO C=Cn1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cn1 ZINC000193817711 165332886 /nfs/dbraw/zinc/33/28/86/165332886.db2.gz FESXZTFHPYGPMQ-UHFFFAOYSA-N 1 0 301.365 3.166 10 0 DGAERO C[C@H]1C[N@@H+](C2CCN(Cc3sccc3Cl)CC2)CCO1 ZINC000194347406 165343386 /nfs/dbraw/zinc/34/33/86/165343386.db2.gz KFIFQMLQJREXNL-LBPRGKRZSA-N 1 0 314.882 3.087 10 0 DGAERO CC(C)OCc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000194553602 165348869 /nfs/dbraw/zinc/34/88/69/165348869.db2.gz IBWRXHCGLVPLNH-UHFFFAOYSA-N 1 0 319.449 3.170 10 0 DGAERO CCCc1noc(CN2CCC[C@@H](c3nc(C)cs3)C2)n1 ZINC000195323860 165365130 /nfs/dbraw/zinc/36/51/30/165365130.db2.gz RXBILSXWWUFFMJ-GFCCVEGCSA-N 1 0 306.435 3.167 10 0 DGAERO CC(C)Sc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195335400 165365228 /nfs/dbraw/zinc/36/52/28/165365228.db2.gz PXNFOELZHKZXPK-OAHLLOKOSA-N 1 0 304.459 3.107 10 0 DGAERO O=C(CCc1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195336192 165365468 /nfs/dbraw/zinc/36/54/68/165365468.db2.gz QTAVTXHLMIYZLK-IBGZPJMESA-N 1 0 308.425 3.079 10 0 DGAERO Cc1cccc(NC(=O)CN2CCC(OC3CCCC3)CC2)c1 ZINC000195317759 165365600 /nfs/dbraw/zinc/36/56/00/165365600.db2.gz NTJOTNJJEQXJJL-UHFFFAOYSA-N 1 0 316.445 3.357 10 0 DGAERO Cc1ccc(CCCCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195339324 165367836 /nfs/dbraw/zinc/36/78/36/165367836.db2.gz AJSMLLIWZDBCTL-SFHVURJKSA-N 1 0 300.446 3.014 10 0 DGAERO CCn1cc(C2CC[NH+](CCOc3ccccc3F)CC2)cn1 ZINC000195500469 165371622 /nfs/dbraw/zinc/37/16/22/165371622.db2.gz KFUQVNGOZACOKB-UHFFFAOYSA-N 1 0 317.408 3.301 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3cn4c(cccc4C)n3)CC2)cn1 ZINC000195501298 165371858 /nfs/dbraw/zinc/37/18/58/165371858.db2.gz LIABMCYJYYKDDV-UHFFFAOYSA-N 1 0 323.444 3.239 10 0 DGAERO Cn1nccc1C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000195502535 165372164 /nfs/dbraw/zinc/37/21/64/165372164.db2.gz BONPUFPTWYRNDL-UHFFFAOYSA-N 1 0 317.408 3.208 10 0 DGAERO Cc1sc2nc(C[N@H+]3CC[C@H](C)[C@@H](C)C3)nc(N)c2c1C ZINC000221408621 165380181 /nfs/dbraw/zinc/38/01/81/165380181.db2.gz JUNQPCCNABXIKV-UWVGGRQHSA-N 1 0 304.463 3.368 10 0 DGAERO CC1(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CCC1 ZINC000226786468 165385458 /nfs/dbraw/zinc/38/54/58/165385458.db2.gz HHBZGIHWOFCWDH-UHFFFAOYSA-N 1 0 312.207 3.458 10 0 DGAERO CC(C)(O)C(C)(C)[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230312750 165394163 /nfs/dbraw/zinc/39/41/63/165394163.db2.gz UFINUHCUENGQKW-UHFFFAOYSA-N 1 0 322.193 3.366 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245622705 165471633 /nfs/dbraw/zinc/47/16/33/165471633.db2.gz XGOJBRUVXBUIQO-DOTOQJQBSA-N 1 0 318.461 3.114 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245951100 165493309 /nfs/dbraw/zinc/49/33/09/165493309.db2.gz PDCJJBGCDXXTOO-YJNKXOJESA-N 1 0 306.475 3.101 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000249497765 165677187 /nfs/dbraw/zinc/67/71/87/165677187.db2.gz WKAKSYPIMLSOEV-KGLIPLIRSA-N 1 0 317.351 3.015 10 0 DGAERO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000252671491 165700195 /nfs/dbraw/zinc/70/01/95/165700195.db2.gz VXSDPDVUXJALNG-DEYYWGMASA-N 1 0 303.446 3.386 10 0 DGAERO O=C(Nc1ccc2ncsc2c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261594649 165720119 /nfs/dbraw/zinc/72/01/19/165720119.db2.gz AQTULAYMLKHFQN-SUHUHFCYSA-N 1 0 301.415 3.156 10 0 DGAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[C@H]1c1ccccc1 ZINC000261868952 165758910 /nfs/dbraw/zinc/75/89/10/165758910.db2.gz XRSAQMKSYIGTPQ-VDHUWJSZSA-N 1 0 300.446 3.014 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC000261875478 165759530 /nfs/dbraw/zinc/75/95/30/165759530.db2.gz SWLLYXGRNYKEJW-AWEZNQCLSA-N 1 0 323.506 3.231 10 0 DGAERO CCc1ccc(CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C2CC2)cc1 ZINC000261882348 165760131 /nfs/dbraw/zinc/76/01/31/165760131.db2.gz ZGBCKRWQSZYIHF-SJLPKXTDSA-N 1 0 300.446 3.115 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(Cl)ccc1F ZINC000261910541 165763406 /nfs/dbraw/zinc/76/34/06/165763406.db2.gz SWIDBRAHYWQAMV-BTOWRCTQSA-N 1 0 310.800 3.115 10 0 DGAERO Cc1cc(C)cc(OCCc2nc(-c3ccc(C[NH3+])cc3)no2)c1 ZINC000261971005 165772791 /nfs/dbraw/zinc/77/27/91/165772791.db2.gz IFSASNXPIKKOHN-UHFFFAOYSA-N 1 0 323.396 3.434 10 0 DGAERO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261999286 165776616 /nfs/dbraw/zinc/77/66/16/165776616.db2.gz UWOITUFMQZSTAF-SPUZQDLCSA-N 1 0 300.446 3.045 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1scnc1C1CC1 ZINC000262074175 165783867 /nfs/dbraw/zinc/78/38/67/165783867.db2.gz SIBWMJJUCVLNMC-UHFFFAOYSA-N 1 0 301.459 3.024 10 0 DGAERO C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000262331312 165798323 /nfs/dbraw/zinc/79/83/23/165798323.db2.gz SNAWNBGJKOAUEP-NWDGAFQWSA-N 1 0 314.351 3.272 10 0 DGAERO CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC000262584431 165811899 /nfs/dbraw/zinc/81/18/99/165811899.db2.gz ZNEVYZZWSUFKLP-IRXDYDNUSA-N 1 0 300.446 3.001 10 0 DGAERO Cc1nc([C@H](C)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)no1 ZINC000366014167 287199756 /nfs/dbraw/zinc/19/97/56/287199756.db2.gz XWEBNYZJWQEUGM-HOCLYGCPSA-N 1 0 306.454 3.027 10 0 DGAERO c1cc(-c2ccc(C[NH2+]C[C@H]3OCCc4ccccc43)o2)n[nH]1 ZINC000366025043 287201590 /nfs/dbraw/zinc/20/15/90/287201590.db2.gz CCMTUCISOOJNRB-GOSISDBHSA-N 1 0 309.369 3.073 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)o2)n[nH]1 ZINC000366028073 287202112 /nfs/dbraw/zinc/20/21/12/287202112.db2.gz SZQMFTZSZRWLFQ-XYPHTWIQSA-N 1 0 313.401 3.107 10 0 DGAERO Fc1ccccc1NC1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000128915954 196003727 /nfs/dbraw/zinc/00/37/27/196003727.db2.gz VFFDUJNRDFKCIE-UHFFFAOYSA-N 1 0 320.330 3.281 10 0 DGAERO c1ncn([C@@H]2CCC[N@@H+](CCOc3cccc4ccccc43)C2)n1 ZINC000171620474 432152308 /nfs/dbraw/zinc/15/23/08/432152308.db2.gz PACRWHCVLZSGCJ-QGZVFWFLSA-N 1 0 322.412 3.147 10 0 DGAERO CC(C)[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)cc1F ZINC000182130054 432159703 /nfs/dbraw/zinc/15/97/03/432159703.db2.gz KLNAHWKIJDODIC-XJKSGUPXSA-N 1 0 314.832 3.096 10 0 DGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)c1 ZINC000171635819 432153622 /nfs/dbraw/zinc/15/36/22/432153622.db2.gz NVDGZGIIQNRIJF-INIZCTEOSA-N 1 0 321.428 3.280 10 0 DGAERO Fc1cccc(OCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000171641973 432154555 /nfs/dbraw/zinc/15/45/55/432154555.db2.gz UGNSWPKUWSKPPA-HNNXBMFYSA-N 1 0 315.392 3.034 10 0 DGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000190423747 432154956 /nfs/dbraw/zinc/15/49/56/432154956.db2.gz AVWNHNOEFPASRI-BATOGMGGSA-N 1 0 311.429 3.426 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(F)cc2Cl)C1 ZINC000246691442 432155260 /nfs/dbraw/zinc/15/52/60/432155260.db2.gz MWUOKNLSALDGOF-NHYWBVRUSA-N 1 0 310.800 3.035 10 0 DGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H](C)CCc1ccco1 ZINC000190431301 432155355 /nfs/dbraw/zinc/15/53/55/432155355.db2.gz UOASRCUBLQPXAY-PVAVHDDUSA-N 1 0 317.433 3.327 10 0 DGAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccc(F)c(F)c1)C(C)C)CC2 ZINC000182051055 432155721 /nfs/dbraw/zinc/15/57/21/432155721.db2.gz NOCUFWQHHBQUSK-GUYCJALGSA-N 1 0 320.387 3.166 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cc(F)ccc12 ZINC000182045173 432155755 /nfs/dbraw/zinc/15/57/55/432155755.db2.gz DPFTXPWOWGCHIB-CQSZACIVSA-N 1 0 317.408 3.157 10 0 DGAERO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000190424585 432155814 /nfs/dbraw/zinc/15/58/14/432155814.db2.gz DXYAIGGYJVJYBK-QMTHXVAHSA-N 1 0 316.239 3.269 10 0 DGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCn1ccnc1 ZINC000190436886 432157609 /nfs/dbraw/zinc/15/76/09/432157609.db2.gz BANXNODXGPIUNW-LLVKDONJSA-N 1 0 324.222 3.005 10 0 DGAERO CSC[C@H](CCO)[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182094365 432158882 /nfs/dbraw/zinc/15/88/82/432158882.db2.gz UWCHBCQVIGSEDQ-WFASDCNBSA-N 1 0 303.418 3.366 10 0 DGAERO C[C@H](CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[S@](C)=O ZINC000129523795 196055296 /nfs/dbraw/zinc/05/52/96/196055296.db2.gz VORSNKNIOMBCBK-XUSGNXJCSA-N 1 0 309.406 3.332 10 0 DGAERO C[C@@H](CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[S@@](C)=O ZINC000129524049 196055384 /nfs/dbraw/zinc/05/53/84/196055384.db2.gz VORSNKNIOMBCBK-QKVFXAPYSA-N 1 0 309.406 3.332 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246771257 432163537 /nfs/dbraw/zinc/16/35/37/432163537.db2.gz QLGAEOFISWBQKW-FUHWJXTLSA-N 1 0 316.445 3.249 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246807259 432167151 /nfs/dbraw/zinc/16/71/51/432167151.db2.gz LCGACYYJSYCAFB-ZFWWWQNUSA-N 1 0 305.422 3.032 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000246807446 432167208 /nfs/dbraw/zinc/16/72/08/432167208.db2.gz QXXRAOGMISXSDR-QAPCUYQASA-N 1 0 324.428 3.178 10 0 DGAERO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246800088 432167235 /nfs/dbraw/zinc/16/72/35/432167235.db2.gz PKYFWRPNHRXIHM-MGPQQGTHSA-N 1 0 320.399 3.298 10 0 DGAERO C[C@H](CCNC(=O)c1cccc2ncccc21)[NH+]1CCCCC1 ZINC000182221419 432168844 /nfs/dbraw/zinc/16/88/44/432168844.db2.gz CZUAFZVFBMVFMF-OAHLLOKOSA-N 1 0 311.429 3.229 10 0 DGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000246904159 432179455 /nfs/dbraw/zinc/17/94/55/432179455.db2.gz KKIKZHKTHOXQDG-RYQLBKOJSA-N 1 0 306.494 3.393 10 0 DGAERO CCn1c2cccc(F)c2nc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246911259 432179883 /nfs/dbraw/zinc/17/98/83/432179883.db2.gz PTEIOGDGDBBXAX-KBPBESRZSA-N 1 0 318.440 3.110 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2SCCc3sccc32)CC[N@@H+]1C ZINC000246920318 432181222 /nfs/dbraw/zinc/18/12/22/432181222.db2.gz QPQPLKNYNFZGNX-LALPHHSUSA-N 1 0 324.515 3.020 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC2CCC(C[NH+](C)C)CC2)o1 ZINC000137998604 432181563 /nfs/dbraw/zinc/18/15/63/432181563.db2.gz RZPWZAXREXMPDQ-WLYUNCDWSA-N 1 0 307.438 3.069 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000246839678 432172989 /nfs/dbraw/zinc/17/29/89/432172989.db2.gz DZXMMMCDSLUFAE-ZCPGHIKRSA-N 1 0 320.864 3.288 10 0 DGAERO CC[C@@H]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000246860143 432174534 /nfs/dbraw/zinc/17/45/34/432174534.db2.gz DEIIBQORQVQEOT-DQIHPLBOSA-N 1 0 307.482 3.270 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc2ccc(C)nc21 ZINC000246878839 432176330 /nfs/dbraw/zinc/17/63/30/432176330.db2.gz FREAHXWDYWDIAM-SJORKVTESA-N 1 0 323.440 3.242 10 0 DGAERO Cc1ccc2nc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000246935677 432183714 /nfs/dbraw/zinc/18/37/14/432183714.db2.gz TYBIRAAKECIRNQ-QFBILLFUSA-N 1 0 324.472 3.091 10 0 DGAERO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)Sc1ccccc1 ZINC000246938187 432183760 /nfs/dbraw/zinc/18/37/60/432183760.db2.gz WTLLADXXZRGQRQ-WTTBNOFXSA-N 1 0 318.486 3.204 10 0 DGAERO CCn1cc([C@H]2CN([C@@H](C)c3cccc(F)c3)CCO2)cn1 ZINC000190732772 432185114 /nfs/dbraw/zinc/18/51/14/432185114.db2.gz AMBJQXRIBAZDGQ-SUMWQHHRSA-N 1 0 303.381 3.177 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@H](C)c3ccccc3)CC2)nn1 ZINC000246964296 432185122 /nfs/dbraw/zinc/18/51/22/432185122.db2.gz DOWJGVBZSNRALK-INIZCTEOSA-N 1 0 310.445 3.101 10 0 DGAERO CCn1cc([C@H]2CN(Cc3ccc(C(F)F)cc3)CCO2)cn1 ZINC000190741221 432185666 /nfs/dbraw/zinc/18/56/66/432185666.db2.gz FPOJFCOZKBSCAA-MRXNPFEDSA-N 1 0 321.371 3.414 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@@](C)(O)c2cccs2)cc1 ZINC000182383854 432185901 /nfs/dbraw/zinc/18/59/01/432185901.db2.gz GNLJIDXFYNYUMM-SUMWQHHRSA-N 1 0 305.443 3.358 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)NCc1ccccc1COC ZINC000150740649 432188646 /nfs/dbraw/zinc/18/86/46/432188646.db2.gz XTADOOVXZJTGJN-GOSISDBHSA-N 1 0 318.461 3.104 10 0 DGAERO COc1ccccc1CCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000182448860 432190930 /nfs/dbraw/zinc/19/09/30/432190930.db2.gz CMZYQFUESULKSX-UHFFFAOYSA-N 1 0 313.445 3.237 10 0 DGAERO CC(C)c1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171897952 432182556 /nfs/dbraw/zinc/18/25/56/432182556.db2.gz GDYRVQMWXKKDMV-CRAIPNDOSA-N 1 0 315.461 3.361 10 0 DGAERO C[C@@H](CNC(=O)N1CCCC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000171909159 432182929 /nfs/dbraw/zinc/18/29/29/432182929.db2.gz FKQCFRQNBNGLFC-HNNXBMFYSA-N 1 0 303.450 3.091 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000129758154 196073503 /nfs/dbraw/zinc/07/35/03/196073503.db2.gz FEUPGKSCSUSYKD-ZNMIVQPWSA-N 1 0 301.352 3.301 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247056918 432199031 /nfs/dbraw/zinc/19/90/31/432199031.db2.gz WAMCDWQNBQXUBG-JSGCOSHPSA-N 1 0 323.868 3.001 10 0 DGAERO CCCn1cc(C[NH2+]CCc2ccccc2OC(F)F)cn1 ZINC000190884452 432197447 /nfs/dbraw/zinc/19/74/47/432197447.db2.gz NOVXCADWZSGONX-UHFFFAOYSA-N 1 0 309.360 3.227 10 0 DGAERO CC(C)(C)OC(=O)[C@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000247088779 432201962 /nfs/dbraw/zinc/20/19/62/432201962.db2.gz PRLXFVOQWQQFDZ-BBRMVZONSA-N 1 0 305.393 3.477 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000129859276 196080767 /nfs/dbraw/zinc/08/07/67/196080767.db2.gz DOAOGIYYODKWSK-LLVKDONJSA-N 1 0 306.793 3.124 10 0 DGAERO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc([S@](C)=O)cc1 ZINC000247092893 432202517 /nfs/dbraw/zinc/20/25/17/432202517.db2.gz OCSOHZDTHALDKS-SUXBSASXSA-N 1 0 320.502 3.090 10 0 DGAERO CCOc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccs2)cc1 ZINC000182551246 432202594 /nfs/dbraw/zinc/20/25/94/432202594.db2.gz QZLPAIXSSAQDFN-ZIAGYGMSSA-N 1 0 321.442 3.237 10 0 DGAERO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)cc1 ZINC000130596296 196093983 /nfs/dbraw/zinc/09/39/83/196093983.db2.gz YJHIQILZAVRUAC-KDOFPFPSSA-N 1 0 315.413 3.478 10 0 DGAERO CCCn1cc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cn1 ZINC000131181797 196147315 /nfs/dbraw/zinc/14/73/15/196147315.db2.gz WFOJCSTZCHQYGJ-SFHVURJKSA-N 1 0 313.445 3.332 10 0 DGAERO CSc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247153855 432207033 /nfs/dbraw/zinc/20/70/33/432207033.db2.gz UKXBHSNBWCSDGY-OLZOCXBDSA-N 1 0 305.447 3.109 10 0 DGAERO CC1(C)C[N@H+](C[C@@H](O)Cc2ccccc2)CC2(CCCC2)O1 ZINC000190969981 432207420 /nfs/dbraw/zinc/20/74/20/432207420.db2.gz JEFONTYUBBNBQF-KRWDZBQOSA-N 1 0 303.446 3.014 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)o1 ZINC000182591978 432209013 /nfs/dbraw/zinc/20/90/13/432209013.db2.gz VMYNXHQABCHQMO-ZIAGYGMSSA-N 1 0 314.385 3.160 10 0 DGAERO CC(C)c1csc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)n1 ZINC000172337437 432209783 /nfs/dbraw/zinc/20/97/83/432209783.db2.gz WLLDUQDTSHZGEK-ZDUSSCGKSA-N 1 0 310.467 3.070 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(C2CCCC2)n1 ZINC000247227797 432213500 /nfs/dbraw/zinc/21/35/00/432213500.db2.gz MOZNWMYNUAUTQI-BBRMVZONSA-N 1 0 305.491 3.469 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000247236757 432215551 /nfs/dbraw/zinc/21/55/51/432215551.db2.gz XGXQMQPFIKPZKV-XKDXWZMYSA-N 1 0 302.418 3.253 10 0 DGAERO C[C@H](SCc1ccccc1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247130783 432204678 /nfs/dbraw/zinc/20/46/78/432204678.db2.gz JJISJWYARCXPBV-YQQAZPJKSA-N 1 0 318.486 3.003 10 0 DGAERO CCc1ccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000172247595 432205809 /nfs/dbraw/zinc/20/58/09/432205809.db2.gz JVDIEGCMFORZRK-SFHVURJKSA-N 1 0 310.445 3.140 10 0 DGAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247363615 432224849 /nfs/dbraw/zinc/22/48/49/432224849.db2.gz CJJIIZDPIRTVID-OFQRWUPVSA-N 1 0 323.506 3.475 10 0 DGAERO CCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(C)c1 ZINC000247364246 432225381 /nfs/dbraw/zinc/22/53/81/432225381.db2.gz QXAVUIRZBSJLBI-CABCVRRESA-N 1 0 317.433 3.094 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccccc2F)[C@@H](C)C1 ZINC000247370952 432225906 /nfs/dbraw/zinc/22/59/06/432225906.db2.gz KTZHZQFGAZZBHJ-MPGHIAIKSA-N 1 0 320.452 3.193 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2cccc(Cl)c2)C1 ZINC000247377581 432226214 /nfs/dbraw/zinc/22/62/14/432226214.db2.gz SXRDIXSGTVIDII-ZIAGYGMSSA-N 1 0 323.868 3.384 10 0 DGAERO Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H](C(N)=O)C3)o2)cc1 ZINC000172633603 432226220 /nfs/dbraw/zinc/22/62/20/432226220.db2.gz ISWJAYSPEHVIBV-JKSUJKDBSA-N 1 0 312.413 3.389 10 0 DGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc2ccccc21 ZINC000247374538 432226519 /nfs/dbraw/zinc/22/65/19/432226519.db2.gz FMXYUYCCWOUCSE-WBVHZDCISA-N 1 0 323.440 3.390 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247402659 432226928 /nfs/dbraw/zinc/22/69/28/432226928.db2.gz XNTNBNUVKUKWLI-TZMCWYRMSA-N 1 0 307.825 3.349 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000247277104 432218970 /nfs/dbraw/zinc/21/89/70/432218970.db2.gz WZEINBYSZHFYCQ-LSDHHAIUSA-N 1 0 318.442 3.240 10 0 DGAERO C[C@H](NC(=O)NCC1(C)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182695441 432219203 /nfs/dbraw/zinc/21/92/03/432219203.db2.gz ZVQFNFRDBBVULI-GJZGRUSLSA-N 1 0 307.482 3.129 10 0 DGAERO O=C(NCCC1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172545516 432219774 /nfs/dbraw/zinc/21/97/74/432219774.db2.gz DEZSEVAWWTXLHR-QGZVFWFLSA-N 1 0 307.482 3.227 10 0 DGAERO Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1F ZINC000151142484 432223392 /nfs/dbraw/zinc/22/33/92/432223392.db2.gz GWDZCISWMARMLS-QWRGUYRKSA-N 1 0 310.800 3.143 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)cn1 ZINC000131842511 196203455 /nfs/dbraw/zinc/20/34/55/196203455.db2.gz OGNDZLPLIXEKOH-MRXNPFEDSA-N 1 0 321.371 3.401 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000398585456 685237114 /nfs/dbraw/zinc/23/71/14/685237114.db2.gz UXJKCCFLDNNBJS-QGZVFWFLSA-N 1 0 316.486 3.019 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000132776936 196282143 /nfs/dbraw/zinc/28/21/43/196282143.db2.gz MAYONDPHQOYGHT-DOTOQJQBSA-N 1 0 305.418 3.182 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(SC(=O)N(C)C)cc1)[NH+](C)C ZINC000132914572 196296262 /nfs/dbraw/zinc/29/62/62/196296262.db2.gz LHPSVERHORYBDC-AWEZNQCLSA-N 1 0 323.462 3.129 10 0 DGAERO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000133002529 196303352 /nfs/dbraw/zinc/30/33/52/196303352.db2.gz XGRHRPNVXHWPDG-QWHCGFSZSA-N 1 0 300.402 3.267 10 0 DGAERO COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCC(=O)N(C)C3)ccc2c1 ZINC000133026535 196306266 /nfs/dbraw/zinc/30/62/66/196306266.db2.gz AIFSRHVRNRJXCA-CXAGYDPISA-N 1 0 312.413 3.120 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000133058429 196308614 /nfs/dbraw/zinc/30/86/14/196308614.db2.gz BYAHSGQFHSSHBY-LPHOPBHVSA-N 1 0 312.461 3.066 10 0 DGAERO C[C@H](NC(=O)C1(C[NH3+])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000150970053 196610192 /nfs/dbraw/zinc/61/01/92/196610192.db2.gz SIJKWMVTGSRLEW-NSHDSACASA-N 1 0 314.351 3.402 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccccn1)C2 ZINC000110819653 545872296 /nfs/dbraw/zinc/87/22/96/545872296.db2.gz DAMQEEHFSJQSMQ-OAHLLOKOSA-N 1 0 317.230 3.491 10 0 DGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000152321256 227072016 /nfs/dbraw/zinc/07/20/16/227072016.db2.gz QBUQXKPKHVIUKG-SMDDNHRTSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@H](NC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1Br ZINC000154547941 227100571 /nfs/dbraw/zinc/10/05/71/227100571.db2.gz KWDJHXJFUVJSBS-JQWIXIFHSA-N 1 0 315.230 3.333 10 0 DGAERO c1c(C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)nc2ncccn12 ZINC000297363936 227066580 /nfs/dbraw/zinc/06/65/80/227066580.db2.gz HAHSEZKJPBCEHN-WMZOPIPTSA-N 1 0 306.413 3.403 10 0 DGAERO Cc1[nH+]c2c(Cl)cccc2c(N2CC[C@@](C)(C(N)=O)C2)c1C ZINC000291000521 222061896 /nfs/dbraw/zinc/06/18/96/222061896.db2.gz VAWFGFOZXDQSMR-QGZVFWFLSA-N 1 0 317.820 3.207 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)CS(C)(=O)=O ZINC000162331098 228257514 /nfs/dbraw/zinc/25/75/14/228257514.db2.gz OAPXWLODSWKNLV-ZJUUUORDSA-N 1 0 324.273 3.325 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2F)cc1F ZINC000176127407 228309749 /nfs/dbraw/zinc/30/97/49/228309749.db2.gz WSUDMTSMZGUIBI-DZGCQCFKSA-N 1 0 321.367 3.364 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)ccc1F ZINC000179394697 228350910 /nfs/dbraw/zinc/35/09/10/228350910.db2.gz XHRBJVHKDWQHBW-DZGCQCFKSA-N 1 0 311.397 3.071 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCOC[C@H](C4CCC4)C3)C2)cc1 ZINC000298149831 228383043 /nfs/dbraw/zinc/38/30/43/228383043.db2.gz RLNHDXXUHVSDBI-UXHICEINSA-N 1 0 314.473 3.009 10 0 DGAERO OCCC1(C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000188056816 228448809 /nfs/dbraw/zinc/44/88/09/228448809.db2.gz KUOUDECXEORJTP-CQSZACIVSA-N 1 0 310.235 3.189 10 0 DGAERO C[C@H](C[NH2+]C(C)(C)CC1CCCCCC1)CS(C)(=O)=O ZINC000190025251 228498497 /nfs/dbraw/zinc/49/84/97/228498497.db2.gz VBNXMRFIWQACES-CQSZACIVSA-N 1 0 303.512 3.396 10 0 DGAERO c1ccc2c(c1)CC[C@@H](C[NH+]1CCC(c3ccncn3)CC1)C2 ZINC000411830692 229837702 /nfs/dbraw/zinc/83/77/02/229837702.db2.gz YYKRAAHEIVXKRP-MRXNPFEDSA-N 1 0 307.441 3.461 10 0 DGAERO Cc1cc(CN2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)on1 ZINC000302147221 230124896 /nfs/dbraw/zinc/12/48/96/230124896.db2.gz ILMRKIINYICSDA-UHFFFAOYSA-N 1 0 322.412 3.162 10 0 DGAERO Cc1cncc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000302237722 230192596 /nfs/dbraw/zinc/19/25/96/230192596.db2.gz WJOSDVBYYYTONM-AYHJJNSGSA-N 1 0 308.429 3.393 10 0 DGAERO CCC[C@H](C(=O)Nc1ncc(Cc2ccccc2)s1)[NH+](C)C ZINC000179333036 263556698 /nfs/dbraw/zinc/55/66/98/263556698.db2.gz LHLCKHWWWFMMOF-OAHLLOKOSA-N 1 0 317.458 3.403 10 0 DGAERO CC/C=C/CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000184410901 263611031 /nfs/dbraw/zinc/61/10/31/263611031.db2.gz JQUGKFGPQUMFCW-ONEGZZNKSA-N 1 0 300.446 3.371 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000185220600 263631160 /nfs/dbraw/zinc/63/11/60/263631160.db2.gz PTFGFBQZVNAJBS-OAHLLOKOSA-N 1 0 312.523 3.146 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)O1 ZINC000189722117 263725645 /nfs/dbraw/zinc/72/56/45/263725645.db2.gz XQLULEOOCKHASP-MSOLQXFVSA-N 1 0 319.445 3.292 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000192192516 263773543 /nfs/dbraw/zinc/77/35/43/263773543.db2.gz OHFFOTWCTWIUOE-CVEARBPZSA-N 1 0 323.502 3.377 10 0 DGAERO CC(C)CC[C@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193038319 263788453 /nfs/dbraw/zinc/78/84/53/263788453.db2.gz WSOJIVVXMSIXRF-INIZCTEOSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000228076538 263841896 /nfs/dbraw/zinc/84/18/96/263841896.db2.gz PKTUQEPSOPNHEM-AVGNSLFASA-N 1 0 301.377 3.358 10 0 DGAERO Clc1ccc([C@@H]([NH2+]CCN2CCSCC2)C2CC2)cc1 ZINC000230146715 263843289 /nfs/dbraw/zinc/84/32/89/263843289.db2.gz YWSRMNFXHMLQPT-INIZCTEOSA-N 1 0 310.894 3.430 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3[NH2+]CC[C@H]1CCOC1)CCC2 ZINC000346873528 264112641 /nfs/dbraw/zinc/11/26/41/264112641.db2.gz OMCUAKZBBMIQPC-KBXCAEBGSA-N 1 0 301.430 3.405 10 0 DGAERO c1nc2c(n1[C@@H]1CCN(Cc3nc4ccccc4[nH]3)C1)CCCC2 ZINC000347277921 264189115 /nfs/dbraw/zinc/18/91/15/264189115.db2.gz CUAZTXMRPFTTEC-CQSZACIVSA-N 1 0 321.428 3.085 10 0 DGAERO c1ccc(COC[C@@H]2CC[N@@H+](CC[C@@H]3CCCCO3)C2)cc1 ZINC000347449683 264223311 /nfs/dbraw/zinc/22/33/11/264223311.db2.gz XNNLHKKQYSBNID-MOPGFXCFSA-N 1 0 303.446 3.484 10 0 DGAERO c1cc2c(cc1[C@@H]([NH2+]CC[C@H]1CCCCO1)C1CC1)OCCO2 ZINC000347686608 264267049 /nfs/dbraw/zinc/26/70/49/264267049.db2.gz TUTIEOZYKVAMBN-APWZRJJASA-N 1 0 317.429 3.458 10 0 DGAERO c1csc(CCC[NH2+]Cc2cnc(-c3ccncc3)s2)n1 ZINC000347841411 264292681 /nfs/dbraw/zinc/29/26/81/264292681.db2.gz OZRQNAQMDUFPSX-UHFFFAOYSA-N 1 0 316.455 3.384 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)O2 ZINC000353277730 265371722 /nfs/dbraw/zinc/37/17/22/265371722.db2.gz NUQMWXJYWLGNEB-LUKYLMHMSA-N 1 0 317.429 3.011 10 0 DGAERO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCCc4ccccc43)C2)cn1 ZINC000247440095 432230656 /nfs/dbraw/zinc/23/06/56/432230656.db2.gz NGVSHATXGDDIEC-LPHOPBHVSA-N 1 0 310.445 3.056 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355225379 266006396 /nfs/dbraw/zinc/00/63/96/266006396.db2.gz RJZZIFUSCUDNFJ-IAGOWNOFSA-N 1 0 311.429 3.325 10 0 DGAERO c1nc(C[NH2+]CCCCOc2ccccc2)n(-c2ccccc2)n1 ZINC000355228940 266008087 /nfs/dbraw/zinc/00/80/87/266008087.db2.gz XYJODWZDZOLFES-UHFFFAOYSA-N 1 0 322.412 3.216 10 0 DGAERO c1c(C2CC2)nn2ccnc(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c12 ZINC000631338529 424834063 /nfs/dbraw/zinc/83/40/63/424834063.db2.gz LRVBIBPVHPYTMB-ZBFHGGJFSA-N 1 0 311.433 3.036 10 0 DGAERO c1csc(-c2n[nH]cc2CNC2CC([NH+]3CCCCC3)C2)c1 ZINC000355586193 266124147 /nfs/dbraw/zinc/12/41/47/266124147.db2.gz RPLJSTZAUPMQPF-UHFFFAOYSA-N 1 0 316.474 3.245 10 0 DGAERO c1cc(-c2n[nH]cc2CNC2CC([NH+]3CCCCC3)C2)cs1 ZINC000355595111 266127010 /nfs/dbraw/zinc/12/70/10/266127010.db2.gz FYLYGSIPNJUTJE-UHFFFAOYSA-N 1 0 316.474 3.245 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355776124 266180764 /nfs/dbraw/zinc/18/07/64/266180764.db2.gz AZYNGEYENCMQKZ-LJQANCHMSA-N 1 0 317.429 3.161 10 0 DGAERO Cc1c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)cnn1C(C)(C)C ZINC000191196005 432232809 /nfs/dbraw/zinc/23/28/09/432232809.db2.gz UXTQAOMXHINMCR-PXAZEXFGSA-N 1 0 319.424 3.470 10 0 DGAERO C[C@H](C(=O)NC[C@@H]1C[C@@H]1c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247476624 432233269 /nfs/dbraw/zinc/23/32/69/432233269.db2.gz IIVMKHHMHNNZIL-DTYCBIMDSA-N 1 0 300.446 3.168 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000172749621 432234343 /nfs/dbraw/zinc/23/43/43/432234343.db2.gz NPNQINMAGSHKKF-CQSZACIVSA-N 1 0 304.434 3.453 10 0 DGAERO Cc1cc2ncn(C[C@H](O)C[N@@H+]3C[C@@H](C)CC[C@@H]3C)c2cc1C ZINC000247474138 432234526 /nfs/dbraw/zinc/23/45/26/432234526.db2.gz JMWRFYFGEVNUHS-RRQGHBQHSA-N 1 0 315.461 3.134 10 0 DGAERO C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccc(F)cc1F ZINC000151311006 432236344 /nfs/dbraw/zinc/23/63/44/432236344.db2.gz OONQLWPECKALPC-UMVBOHGHSA-N 1 0 322.399 3.154 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC000247503876 432235651 /nfs/dbraw/zinc/23/56/51/432235651.db2.gz XRXDXPOIDJKEQK-HJQPHTCJSA-N 1 0 307.482 3.126 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000247515799 432237265 /nfs/dbraw/zinc/23/72/65/432237265.db2.gz MXKXNPCLUZUVSA-ZIAGYGMSSA-N 1 0 318.383 3.218 10 0 DGAERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc2ccccc12 ZINC000247526444 432237341 /nfs/dbraw/zinc/23/73/41/432237341.db2.gz WVJFHKMCVNJZNM-LSDHHAIUSA-N 1 0 311.429 3.098 10 0 DGAERO CCc1ccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)o1 ZINC000151340703 432237369 /nfs/dbraw/zinc/23/73/69/432237369.db2.gz VRASEIIQXMOMEI-GFCCVEGCSA-N 1 0 305.809 3.259 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCCC3)[C@@H](C)C1 ZINC000247524520 432237219 /nfs/dbraw/zinc/23/72/19/432237219.db2.gz WRABJKXYFAPBHD-KXBFYZLASA-N 1 0 314.473 3.368 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1Cl ZINC000247523614 432238514 /nfs/dbraw/zinc/23/85/14/432238514.db2.gz WYGLPPCJKTXOAB-QWRGUYRKSA-N 1 0 313.228 3.302 10 0 DGAERO [NH3+]CCNc1c(Cl)cnc2ccc(Br)cc21 ZINC000019721360 274946176 /nfs/dbraw/zinc/94/61/76/274946176.db2.gz QXPJMHZYPRZUQE-UHFFFAOYSA-N 1 0 300.587 3.021 10 0 DGAERO CC(C)CNC(=O)CN(CCC(F)(F)F)Cc1ccccc1 ZINC000191238008 432239338 /nfs/dbraw/zinc/23/93/38/432239338.db2.gz XAPXRSZYFXSYQC-UHFFFAOYSA-N 1 0 316.367 3.213 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000247541424 432239848 /nfs/dbraw/zinc/23/98/48/432239848.db2.gz YLHFWPQVZZKQJL-VZEFYGNVSA-N 1 0 318.848 3.139 10 0 DGAERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1C(C)C ZINC000247552157 432241431 /nfs/dbraw/zinc/24/14/31/432241431.db2.gz YWEFQSBYLQYDGP-XJKSGUPXSA-N 1 0 305.466 3.241 10 0 DGAERO CC(C)c1ccc(NC(=O)C[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000182918155 432242182 /nfs/dbraw/zinc/24/21/82/432242182.db2.gz BLSDNLMWUAMEDA-GOSISDBHSA-N 1 0 312.413 3.072 10 0 DGAERO COc1c(C)cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1C ZINC000151409972 432243785 /nfs/dbraw/zinc/24/37/85/432243785.db2.gz MMKXSOHVGVZLES-AEFFLSMTSA-N 1 0 321.486 3.456 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(C2CC2)cs1 ZINC000247686620 432246579 /nfs/dbraw/zinc/24/65/79/432246579.db2.gz VDLNNXVLFGQBRM-STQMWFEESA-N 1 0 320.462 3.111 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000247728351 432248166 /nfs/dbraw/zinc/24/81/66/432248166.db2.gz TZUVAWMEVMFJGL-KFWWJZLASA-N 1 0 322.399 3.059 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccccc1Cl ZINC000046280499 270956125 /nfs/dbraw/zinc/95/61/25/270956125.db2.gz SNAYCPNLCNSPFS-ZDUSSCGKSA-N 1 0 311.857 3.212 10 0 DGAERO C[NH+]1CCC(CC(=O)N2CCCSc3ccccc32)CC1 ZINC000362506814 271035377 /nfs/dbraw/zinc/03/53/77/271035377.db2.gz SPVLBHRHFYNLAR-UHFFFAOYSA-N 1 0 304.459 3.247 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Br)cs1 ZINC000367708457 271068960 /nfs/dbraw/zinc/06/89/60/271068960.db2.gz OVPUSMZZMZBZJB-WKJUBOCMSA-N 1 0 302.237 3.054 10 0 DGAERO Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368058313 271127420 /nfs/dbraw/zinc/12/74/20/271127420.db2.gz HKKCWHIQBTUOKM-YLJYHZDGSA-N 1 0 309.457 3.390 10 0 DGAERO Cc1ccnc(C2CC[NH+](CC3=Cc4ccccc4OC3)CC2)n1 ZINC000368284344 271147786 /nfs/dbraw/zinc/14/77/86/271147786.db2.gz NLVZOHMKEOJXCW-UHFFFAOYSA-N 1 0 321.424 3.440 10 0 DGAERO [NH2+]=C(NCc1cccc(-c2cccnc2)c1)Nc1ccccn1 ZINC000368437272 271159887 /nfs/dbraw/zinc/15/98/87/271159887.db2.gz TWIUPAVFBOQZSH-UHFFFAOYSA-N 1 0 303.369 3.280 10 0 DGAERO c1cc(C[NH+]2CCC(OCC3CC3)CC2)n(-c2ccccc2)n1 ZINC000369139475 271246037 /nfs/dbraw/zinc/24/60/37/271246037.db2.gz JHMTZPCLXFEHHN-UHFFFAOYSA-N 1 0 311.429 3.263 10 0 DGAERO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccoc2C2CC2)C1 ZINC000369166972 271246505 /nfs/dbraw/zinc/24/65/05/271246505.db2.gz SHXBLFGQIKUIFO-HNNXBMFYSA-N 1 0 310.397 3.290 10 0 DGAERO O=C1O[C@@H](C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC12CC2 ZINC000369351985 271266839 /nfs/dbraw/zinc/26/68/39/271266839.db2.gz HAVFBCMLNQWMIG-OAHLLOKOSA-N 1 0 324.424 3.443 10 0 DGAERO C[C@@H](NC(=O)N1CCC2(C1)CCCCC2)C1=CC[N@H+](C)CC1 ZINC000369998169 271332776 /nfs/dbraw/zinc/33/27/76/271332776.db2.gz QVLCWXZIBYRUPL-OAHLLOKOSA-N 1 0 305.466 3.003 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000370155004 271343066 /nfs/dbraw/zinc/34/30/66/271343066.db2.gz BPVNOZREZYMHIM-DUVHGLKDSA-N 1 0 316.420 3.316 10 0 DGAERO Cc1nc(C)n([C@H]2CCC[N@H+](CCc3ccc(F)c(F)c3)C2)n1 ZINC000370709337 271383109 /nfs/dbraw/zinc/38/31/09/271383109.db2.gz RYPMYSPTEHONIG-HNNXBMFYSA-N 1 0 320.387 3.053 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(F)cccc3Cl)CC[C@H]21 ZINC000247931332 432255351 /nfs/dbraw/zinc/25/53/51/432255351.db2.gz CBRGGRGFRWYLDE-BXUZGUMPSA-N 1 0 310.800 3.035 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000117767818 273515866 /nfs/dbraw/zinc/51/58/66/273515866.db2.gz WSIFNPNZJVOIFC-HOTGVXAUSA-N 1 0 318.461 3.035 10 0 DGAERO CC[C@H]([NH3+])CNc1ncc(Br)cc1C(F)(F)F ZINC000234028828 273750542 /nfs/dbraw/zinc/75/05/42/273750542.db2.gz AWZYUOORRAVAHC-ZETCQYMHSA-N 1 0 312.133 3.012 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189455110 274022324 /nfs/dbraw/zinc/02/23/24/274022324.db2.gz ODRIJTGYWRVHMX-DLBZAZTESA-N 1 0 318.461 3.122 10 0 DGAERO COc1ccc([C@H]2C[C@H](C)[N@H+](CCN3CCCCC3)C2)cc1 ZINC000151042572 274117774 /nfs/dbraw/zinc/11/77/74/274117774.db2.gz LTUPFTRSJDCGFG-WMZOPIPTSA-N 1 0 302.462 3.359 10 0 DGAERO C[C@@H]1CC[C@H](C)[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189057991 274314389 /nfs/dbraw/zinc/31/43/89/274314389.db2.gz IHUXJOJGUMYXJY-CVEARBPZSA-N 1 0 300.446 3.082 10 0 DGAERO C[C@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000262568350 274558569 /nfs/dbraw/zinc/55/85/69/274558569.db2.gz XBRRZUHLLHXYND-GXFFZTMASA-N 1 0 315.339 3.297 10 0 DGAERO C[C@H]1CCN(c2ncc(Cl)cc2Br)[C@H](C[NH3+])C1 ZINC000261540608 274564047 /nfs/dbraw/zinc/56/40/47/274564047.db2.gz GNVXHLUQALGXCS-WPRPVWTQSA-N 1 0 318.646 3.061 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C/C=C/c3cccc(F)c3)CC[C@H]21 ZINC000247986975 432259230 /nfs/dbraw/zinc/25/92/30/432259230.db2.gz IXBCUCGBULLITN-AWHHDIADSA-N 1 0 316.420 3.172 10 0 DGAERO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089733407 274739724 /nfs/dbraw/zinc/73/97/24/274739724.db2.gz PUXWYVWSASTUKU-IEBWSBKVSA-N 1 0 324.472 3.365 10 0 DGAERO c1ccc2nc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cnc2c1 ZINC000246327634 275072122 /nfs/dbraw/zinc/07/21/22/275072122.db2.gz KWPLNFRXQVEPKE-KBXCAEBGSA-N 1 0 308.429 3.083 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1)CCO2 ZINC000037232233 275372398 /nfs/dbraw/zinc/37/23/98/275372398.db2.gz RTPVUPCSMUFYIC-CQSZACIVSA-N 1 0 319.202 3.458 10 0 DGAERO CC1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)OCCCO1 ZINC000192250087 275896124 /nfs/dbraw/zinc/89/61/24/275896124.db2.gz NGBGKPNIOHUOHL-UHFFFAOYSA-N 1 0 307.287 3.087 10 0 DGAERO CCC[N@@H+](Cc1nc2ccccc2n1C)C[C@@H]1CCCCO1 ZINC000170958048 276003033 /nfs/dbraw/zinc/00/30/33/276003033.db2.gz TTWNYRIOZRVVNC-HNNXBMFYSA-N 1 0 301.434 3.354 10 0 DGAERO CCC[N@@H+](Cc1cnc2nc(C)cc(C)n12)C[C@@H]1CCCCO1 ZINC000093132419 276003167 /nfs/dbraw/zinc/00/31/67/276003167.db2.gz BLDOSAQAHLJPDT-KRWDZBQOSA-N 1 0 316.449 3.127 10 0 DGAERO CCC[C@H](C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)[NH+](C)C ZINC000245733333 276038329 /nfs/dbraw/zinc/03/83/29/276038329.db2.gz ZKIAJPQBXZYPSD-KSZLIROESA-N 1 0 318.461 3.001 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1c(F)cc(Cl)cc1F ZINC000182932785 276112166 /nfs/dbraw/zinc/11/21/66/276112166.db2.gz VLOCMKNKNHDXPT-VIFPVBQESA-N 1 0 319.783 3.470 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000174179226 276114208 /nfs/dbraw/zinc/11/42/08/276114208.db2.gz QDBBLHVWFVNIAW-QZTJIDSGSA-N 1 0 314.473 3.439 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2cccc2)cc1 ZINC000177018962 276181612 /nfs/dbraw/zinc/18/16/12/276181612.db2.gz VNYHRAAEVWFFLA-SFHVURJKSA-N 1 0 311.429 3.034 10 0 DGAERO CCC[N@@H+](CC(=O)N1CCCC[C@H]1CC)C[C@H]1CCCCO1 ZINC000246351366 276249126 /nfs/dbraw/zinc/24/91/26/276249126.db2.gz NMBASBUYPIXSAJ-IAGOWNOFSA-N 1 0 310.482 3.059 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCCc2ccccc2C1 ZINC000171621972 276866916 /nfs/dbraw/zinc/86/69/16/276866916.db2.gz RTFUOTCOIJGECC-HXUWFJFHSA-N 1 0 322.452 3.134 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4c(s3)CCCC4)CC[C@H]21 ZINC000247931255 277083094 /nfs/dbraw/zinc/08/30/94/277083094.db2.gz CBHQAXOMCWQENI-LSDHHAIUSA-N 1 0 318.486 3.183 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000185310425 277824074 /nfs/dbraw/zinc/82/40/74/277824074.db2.gz RCKSJTLXXAJVPA-FGTMMUONSA-N 1 0 306.494 3.393 10 0 DGAERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000177274869 278019710 /nfs/dbraw/zinc/01/97/10/278019710.db2.gz DMVVXFNZZKZIOF-UKRRQHHQSA-N 1 0 314.433 3.076 10 0 DGAERO COc1cccc2c1CCN(C[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC000450873130 278028331 /nfs/dbraw/zinc/02/83/31/278028331.db2.gz JOKOWHCIAPYKAW-SFHVURJKSA-N 1 0 316.489 3.359 10 0 DGAERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2nccs2)C1 ZINC000091736140 278054255 /nfs/dbraw/zinc/05/42/55/278054255.db2.gz JTHNRWGHKSQQJK-CHWSQXEVSA-N 1 0 303.431 3.081 10 0 DGAERO CSCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000268737341 278130720 /nfs/dbraw/zinc/13/07/20/278130720.db2.gz WIRQFJFPKXJJKM-LLVKDONJSA-N 1 0 302.237 3.225 10 0 DGAERO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187853383 278222221 /nfs/dbraw/zinc/22/22/21/278222221.db2.gz CFRUFKQEDKZWRS-WFASDCNBSA-N 1 0 308.397 3.090 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448433830 278223502 /nfs/dbraw/zinc/22/35/02/278223502.db2.gz OCSDUNKGLOSZBR-WMZOPIPTSA-N 1 0 324.509 3.256 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000155016694 278234049 /nfs/dbraw/zinc/23/40/49/278234049.db2.gz LBBIWUKJHFEFMM-CVEARBPZSA-N 1 0 310.482 3.009 10 0 DGAERO C[C@@H]([N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C1(C)CC1 ZINC000177245877 278303383 /nfs/dbraw/zinc/30/33/83/278303383.db2.gz TZCKUWMDVVOPDJ-SNVBAGLBSA-N 1 0 317.458 3.094 10 0 DGAERO CC1(C)CN(c2ncc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000261555505 278345944 /nfs/dbraw/zinc/34/59/44/278345944.db2.gz PTQBXWXJYBDOKB-SNVBAGLBSA-N 1 0 318.646 3.061 10 0 DGAERO CC1(C)Cc2cccc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)c2O1 ZINC000246839424 278397183 /nfs/dbraw/zinc/39/71/83/278397183.db2.gz RWCQZOKKVLHRSV-CVEARBPZSA-N 1 0 319.470 3.106 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@@H](c2cc(F)cc(F)c2)C1 ZINC000044136340 278410290 /nfs/dbraw/zinc/41/02/90/278410290.db2.gz SELFEUKUPAZDDY-KGLIPLIRSA-N 1 0 312.360 3.017 10 0 DGAERO C[C@@H]1CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)[C@H](C[NH3+])C1 ZINC000261637394 278541717 /nfs/dbraw/zinc/54/17/17/278541717.db2.gz ANAQFSGLCKCIDS-KDOFPFPSSA-N 1 0 320.436 3.457 10 0 DGAERO COc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1 ZINC000000006201 431111577 /nfs/dbraw/zinc/11/15/77/431111577.db2.gz CXBLBVLSNALLKJ-UHFFFAOYSA-N 1 0 311.381 3.300 10 0 DGAERO Cc1cncc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000248913349 279024660 /nfs/dbraw/zinc/02/46/60/279024660.db2.gz JKTUPWWGPJPRHW-QZTJIDSGSA-N 1 0 301.478 3.476 10 0 DGAERO CC[NH+](CC)CCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000191477823 279094931 /nfs/dbraw/zinc/09/49/31/279094931.db2.gz FARRMZZTDFCEER-INIZCTEOSA-N 1 0 304.434 3.284 10 0 DGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1COCC1(C)C ZINC000312977109 279377823 /nfs/dbraw/zinc/37/78/23/279377823.db2.gz NDBCQUVHDAHHCR-RISCZKNCSA-N 1 0 312.251 3.395 10 0 DGAERO COc1ccc2[nH]cc(C3=CC[N@H+](CC(C)(C)O)CC3)c2c1 ZINC000111202739 431197368 /nfs/dbraw/zinc/19/73/68/431197368.db2.gz AEPMQXBGXFBKPN-UHFFFAOYSA-N 1 0 300.402 3.037 10 0 DGAERO Fc1ccc([C@H]([NH2+][C@@H]2CCc3ncnn3C2)C2CCCC2)cc1 ZINC000180166638 279464404 /nfs/dbraw/zinc/46/44/04/279464404.db2.gz XJRPIKYJNRMDCT-SJLPKXTDSA-N 1 0 314.408 3.253 10 0 DGAERO Cc1ccc(O)c(C2=C[C@H](c3ccccc3)N3NC=NC3=[NH+]2)c1 ZINC000000278041 431158575 /nfs/dbraw/zinc/15/85/75/431158575.db2.gz PAEOXAJQUNWGCD-MRXNPFEDSA-N 1 0 304.353 3.001 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C(C)(C)C ZINC000157237937 279491242 /nfs/dbraw/zinc/49/12/42/279491242.db2.gz SYKQVWREKKLIHL-KFWWJZLASA-N 1 0 305.466 3.219 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000111633264 431229675 /nfs/dbraw/zinc/22/96/75/431229675.db2.gz XZYBKGWOUJFZDE-QUCCMNQESA-N 1 0 322.452 3.006 10 0 DGAERO CC[C@@H](CNc1cc(C)nc(-c2ccncc2)n1)[NH+]1CCCC1 ZINC000112074249 431248342 /nfs/dbraw/zinc/24/83/42/431248342.db2.gz DELJANWOFVJXQS-INIZCTEOSA-N 1 0 311.433 3.133 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1cccnc1 ZINC000112534414 431281620 /nfs/dbraw/zinc/28/16/20/431281620.db2.gz BWTMTKMPBXJPLB-HNNXBMFYSA-N 1 0 309.413 3.449 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc(Cl)c1 ZINC000112549867 431282366 /nfs/dbraw/zinc/28/23/66/431282366.db2.gz ZPSAKKARSLHHND-XJKSGUPXSA-N 1 0 316.836 3.450 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3ccccc31)CC2 ZINC000112551626 431283060 /nfs/dbraw/zinc/28/30/60/431283060.db2.gz NCGJZHSNCHUOOV-RDJZCZTQSA-N 1 0 310.445 3.384 10 0 DGAERO Cc1cccc(C)c1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000071790522 431287389 /nfs/dbraw/zinc/28/73/89/431287389.db2.gz HFENLDCWRDNAKI-GJZGRUSLSA-N 1 0 304.434 3.355 10 0 DGAERO C[C@@H]1C[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112373793 431269646 /nfs/dbraw/zinc/26/96/46/431269646.db2.gz RUGVRDLIHBJQAS-BXKDBHETSA-N 1 0 306.207 3.337 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)SCc1ccccc1 ZINC000072012945 431324632 /nfs/dbraw/zinc/32/46/32/431324632.db2.gz AYPXRNNRJJOQPR-DOTOQJQBSA-N 1 0 322.518 3.401 10 0 DGAERO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000072026477 431327025 /nfs/dbraw/zinc/32/70/25/431327025.db2.gz GLYNRPVBJPOQIS-UHFFFAOYSA-N 1 0 324.852 3.293 10 0 DGAERO CCOc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1C ZINC000113168796 431332232 /nfs/dbraw/zinc/33/22/32/431332232.db2.gz SPAGGLPECDQQQQ-UHFFFAOYSA-N 1 0 316.445 3.094 10 0 DGAERO C[C@@H]1CCc2c(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)csc2C1 ZINC000113233267 431334530 /nfs/dbraw/zinc/33/45/30/431334530.db2.gz WBBYUESRIRUOGX-RDBSUJKOSA-N 1 0 318.486 3.182 10 0 DGAERO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2nnc(C(C)C)n2C)cc1 ZINC000113263880 431337481 /nfs/dbraw/zinc/33/74/81/431337481.db2.gz QPZAQSHNOHMHQB-KRWDZBQOSA-N 1 0 312.461 3.454 10 0 DGAERO Cc1ccc(-c2cc(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)on2)cc1 ZINC000113270842 431339255 /nfs/dbraw/zinc/33/92/55/431339255.db2.gz PSWJHYQNBAGYRM-DOTOQJQBSA-N 1 0 311.429 3.319 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2cccs2)o1 ZINC000113269070 431339272 /nfs/dbraw/zinc/33/92/72/431339272.db2.gz MTJAIXDLKQKSLH-CHWSQXEVSA-N 1 0 303.431 3.072 10 0 DGAERO CC(C)C1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000072717395 431345828 /nfs/dbraw/zinc/34/58/28/431345828.db2.gz PVGCUBFDENCZTC-CQSZACIVSA-N 1 0 320.399 3.155 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000007540049 431354901 /nfs/dbraw/zinc/35/49/01/431354901.db2.gz SDLDWQZYARZSPX-GFCCVEGCSA-N 1 0 316.351 3.205 10 0 DGAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@H](C)CC[C@@H]2C)cc1 ZINC000072897046 431356142 /nfs/dbraw/zinc/35/61/42/431356142.db2.gz DAZHXRUTCMRGOE-KGLIPLIRSA-N 1 0 302.418 3.338 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000073291222 431367226 /nfs/dbraw/zinc/36/72/26/431367226.db2.gz KYKZHBQVMQPNMO-OAHLLOKOSA-N 1 0 315.461 3.255 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000114851205 431416485 /nfs/dbraw/zinc/41/64/85/431416485.db2.gz GQIYHTUQVXKHJL-QLFBSQMISA-N 1 0 324.490 3.201 10 0 DGAERO COc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1F ZINC000114226878 431377522 /nfs/dbraw/zinc/37/75/22/431377522.db2.gz JFBGUIHAETUPAW-UONOGXRCSA-N 1 0 322.424 3.276 10 0 DGAERO Fc1cccc(CC[NH+](C[C@H]2CCCO2)C[C@H]2CCCO2)c1 ZINC000073804993 431383129 /nfs/dbraw/zinc/38/31/29/431383129.db2.gz ZVWHMHAVEZQFTO-QZTJIDSGSA-N 1 0 307.409 3.028 10 0 DGAERO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CCCCC1 ZINC000008190473 431385150 /nfs/dbraw/zinc/38/51/50/431385150.db2.gz ULTDMGSCMRDGNX-HNNXBMFYSA-N 1 0 305.422 3.048 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@H](C)CC[C@@H]2C)c1 ZINC000073917917 431389190 /nfs/dbraw/zinc/38/91/90/431389190.db2.gz JPDNURZDZOTTMV-HOTGVXAUSA-N 1 0 317.477 3.468 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000114475030 431393046 /nfs/dbraw/zinc/39/30/46/431393046.db2.gz DEJOVAQKHDWWCC-YOEHRIQHSA-N 1 0 318.461 3.383 10 0 DGAERO C[N@H+](C/C=C/c1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000114719391 431406032 /nfs/dbraw/zinc/40/60/32/431406032.db2.gz LVSJYPQQHSHOMR-OPUMOTSWSA-N 1 0 308.429 3.091 10 0 DGAERO CSc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000115417363 431452616 /nfs/dbraw/zinc/45/26/16/431452616.db2.gz IEZGZCXLYOCUNV-UHFFFAOYSA-N 1 0 322.405 3.132 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000010018633 431454037 /nfs/dbraw/zinc/45/40/37/431454037.db2.gz HIVIGMDULDWNFR-MRXNPFEDSA-N 1 0 301.365 3.250 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)Nc2cccc(F)c2)ccc1F ZINC000115635919 431467945 /nfs/dbraw/zinc/46/79/45/431467945.db2.gz ICTLILOLDUKCAA-UHFFFAOYSA-N 1 0 319.355 3.348 10 0 DGAERO CC[C@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000115696465 431471373 /nfs/dbraw/zinc/47/13/73/431471373.db2.gz GHISUUVIPHLHLD-AWEZNQCLSA-N 1 0 321.440 3.219 10 0 DGAERO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000115784539 431471701 /nfs/dbraw/zinc/47/17/01/431471701.db2.gz DLKUKCUJIXJSHO-ZIAGYGMSSA-N 1 0 323.868 3.384 10 0 DGAERO CCN(C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@H](C)c1cccnc1 ZINC000115797812 431473247 /nfs/dbraw/zinc/47/32/47/431473247.db2.gz BGFYHWYDXCGFHE-JKSUJKDBSA-N 1 0 318.465 3.049 10 0 DGAERO C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000115844975 431476968 /nfs/dbraw/zinc/47/69/68/431476968.db2.gz GFHPALWUPPSVKV-ZIAGYGMSSA-N 1 0 321.440 3.075 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116532644 431517993 /nfs/dbraw/zinc/51/79/93/431517993.db2.gz BXOXPBHBZXANNW-LSDHHAIUSA-N 1 0 307.438 3.102 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1C ZINC000011754607 431482200 /nfs/dbraw/zinc/48/22/00/431482200.db2.gz WJHPVWCKAFBYSS-KRWDZBQOSA-N 1 0 307.397 3.293 10 0 DGAERO CC(C)[C@H](C)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000075688532 431491238 /nfs/dbraw/zinc/49/12/38/431491238.db2.gz LDDPABTVPWGUOG-DOTOQJQBSA-N 1 0 303.450 3.167 10 0 DGAERO CCOC[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000075743767 431495147 /nfs/dbraw/zinc/49/51/47/431495147.db2.gz YPBWJVRZQXFFIL-OAHLLOKOSA-N 1 0 317.408 3.260 10 0 DGAERO O=C(CC[N@@H+]1CCC[C@H]1c1ccco1)N1CCc2ccccc21 ZINC000116292484 431500689 /nfs/dbraw/zinc/50/06/89/431500689.db2.gz OURKVACMFNZMGT-KRWDZBQOSA-N 1 0 310.397 3.396 10 0 DGAERO Cc1cccc(C)c1OCCC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318904 431502528 /nfs/dbraw/zinc/50/25/28/431502528.db2.gz DMVJNNCSZGMLCY-KRWDZBQOSA-N 1 0 313.445 3.295 10 0 DGAERO Cc1ccc(OCCC[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000116321107 431504300 /nfs/dbraw/zinc/50/43/00/431504300.db2.gz CNIURUXEZPTIEF-KRWDZBQOSA-N 1 0 313.445 3.295 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116298288 431504788 /nfs/dbraw/zinc/50/47/88/431504788.db2.gz SEJMVDDHELLISJ-DOTOQJQBSA-N 1 0 301.386 3.165 10 0 DGAERO Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116407552 431511087 /nfs/dbraw/zinc/51/10/87/431511087.db2.gz BIQDEHZBPRNFPR-QGZVFWFLSA-N 1 0 313.445 3.295 10 0 DGAERO COc1cccc(NC(=O)c2ccc3cc(C(N)=[NH2+])ccc3c2)c1 ZINC000013532780 431558308 /nfs/dbraw/zinc/55/83/08/431558308.db2.gz IMNCCYAYXAFVCE-UHFFFAOYSA-N 1 0 319.364 3.385 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3cccnc3)C2)c1 ZINC000117379662 431561028 /nfs/dbraw/zinc/56/10/28/431561028.db2.gz ZWHLIAKJTZGACW-WBVHZDCISA-N 1 0 311.429 3.410 10 0 DGAERO C[C@@H](C[NH+]1CCC(N(C)c2cccnn2)CC1)c1ccccc1 ZINC000116878774 431535275 /nfs/dbraw/zinc/53/52/75/431535275.db2.gz UVNJNEJEANFRBA-INIZCTEOSA-N 1 0 310.445 3.181 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000076484061 431552809 /nfs/dbraw/zinc/55/28/09/431552809.db2.gz YQHYWWJAFLNQGG-SJLPKXTDSA-N 1 0 302.462 3.035 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccccc2C)[C@H](C)C1 ZINC000076480085 431553847 /nfs/dbraw/zinc/55/38/47/431553847.db2.gz QEXDZJLZACEOLC-AEFFLSMTSA-N 1 0 302.462 3.116 10 0 DGAERO CCC(C)(C)[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000013724839 431567070 /nfs/dbraw/zinc/56/70/70/431567070.db2.gz VNYPHZJPTMXYOY-UHFFFAOYSA-N 1 0 306.450 3.258 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000076988107 431567935 /nfs/dbraw/zinc/56/79/35/431567935.db2.gz CONHARVOGIFGIO-FHWLQOOXSA-N 1 0 314.473 3.466 10 0 DGAERO CC(C)[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000176455083 280159362 /nfs/dbraw/zinc/15/93/62/280159362.db2.gz BPWWDEVTBPAJBR-HOTGVXAUSA-N 1 0 308.853 3.242 10 0 DGAERO O=C(c1cc(F)cc(F)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107528208 280165277 /nfs/dbraw/zinc/16/52/77/280165277.db2.gz LCMLWSRYSQGTLH-INIZCTEOSA-N 1 0 308.372 3.055 10 0 DGAERO CC(C)[C@H](CCO)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000336708066 280233295 /nfs/dbraw/zinc/23/32/95/280233295.db2.gz LYGSJRAYSHZDLM-WDEREUQCSA-N 1 0 318.280 3.495 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000077455865 431598227 /nfs/dbraw/zinc/59/82/27/431598227.db2.gz NAXXAYCTIWHYMR-GOSISDBHSA-N 1 0 301.434 3.149 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC1(C)C)c1ccco1 ZINC000077521336 431603968 /nfs/dbraw/zinc/60/39/68/431603968.db2.gz PEHDPUFIYLAASX-AWEZNQCLSA-N 1 0 307.438 3.247 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000117877230 431582154 /nfs/dbraw/zinc/58/21/54/431582154.db2.gz XDYXPATVTHLJOX-HNNXBMFYSA-N 1 0 306.475 3.159 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)o1 ZINC000078254574 431654074 /nfs/dbraw/zinc/65/40/74/431654074.db2.gz GRMLBUWSKRQICR-INIZCTEOSA-N 1 0 323.820 3.251 10 0 DGAERO CC(C)[NH+](CCNC(=O)Cc1cnc2ccccc2c1)C(C)C ZINC000118755233 431616007 /nfs/dbraw/zinc/61/60/07/431616007.db2.gz MJKXGCKSOKEUPD-UHFFFAOYSA-N 1 0 313.445 3.012 10 0 DGAERO CC[C@](C)(O)C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000118975623 431628336 /nfs/dbraw/zinc/62/83/36/431628336.db2.gz WIDMZBOFGNMXPA-GJZGRUSLSA-N 1 0 317.351 3.240 10 0 DGAERO CC[NH+](CC)[C@H](C(=O)NCCCCSC)c1ccccc1 ZINC000119046128 431640127 /nfs/dbraw/zinc/64/01/27/431640127.db2.gz BSKUZIIFQXQCEB-INIZCTEOSA-N 1 0 308.491 3.329 10 0 DGAERO CCNC(=O)CC[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000025930311 431669470 /nfs/dbraw/zinc/66/94/70/431669470.db2.gz NDJCAWGNFADYOD-QGZVFWFLSA-N 1 0 304.434 3.139 10 0 DGAERO CCCC(=O)Nc1cccc(NC(=O)[C@@H](CCC)[NH+](C)C)c1C ZINC000119369435 431684854 /nfs/dbraw/zinc/68/48/54/431684854.db2.gz WDISRKQVPYTBLT-MRXNPFEDSA-N 1 0 319.449 3.402 10 0 DGAERO O=[S@](CC1CC[NH+](CCC2CC2)CC1)c1ccc(F)cc1 ZINC000027439433 431688875 /nfs/dbraw/zinc/68/88/75/431688875.db2.gz JJEOUSQZJYEUMK-NRFANRHFSA-N 1 0 309.450 3.445 10 0 DGAERO Cc1ccc(CCCC(=O)NCC[N@H+]2CCCC[C@H]2C)s1 ZINC000079531294 431728678 /nfs/dbraw/zinc/72/86/78/431728678.db2.gz WVDZZRCOBSKZCK-CQSZACIVSA-N 1 0 308.491 3.370 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000079532490 431729833 /nfs/dbraw/zinc/72/98/33/431729833.db2.gz LIAJZFDGNUPPLX-OAHLLOKOSA-N 1 0 310.507 3.472 10 0 DGAERO CCc1nc2cc(NC(=O)NC[C@H](C)[NH+](CC)CC)ccc2o1 ZINC000079982203 431757296 /nfs/dbraw/zinc/75/72/96/431757296.db2.gz LGFPNKVWMSGFOF-LBPRGKRZSA-N 1 0 318.421 3.242 10 0 DGAERO CCC(C)(CC)NC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000121243923 431759573 /nfs/dbraw/zinc/75/95/73/431759573.db2.gz BJTWQQMNCIPJLW-UHFFFAOYSA-N 1 0 318.465 3.237 10 0 DGAERO CCCCNC(=O)C1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000081671279 431799329 /nfs/dbraw/zinc/79/93/29/431799329.db2.gz FTNHUONDNNMHGM-OAHLLOKOSA-N 1 0 318.461 3.385 10 0 DGAERO C[N@@H+](Cc1cccs1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121714406 431805668 /nfs/dbraw/zinc/80/56/68/431805668.db2.gz GRPNWRHGNPKCRF-HNNXBMFYSA-N 1 0 322.499 3.315 10 0 DGAERO CC[NH2+]Cc1cc(Br)c(OC(C)C)c(OC)c1 ZINC000033450373 431812855 /nfs/dbraw/zinc/81/28/55/431812855.db2.gz VDURVAALFVHJCW-UHFFFAOYSA-N 1 0 302.212 3.354 10 0 DGAERO C[C@@H](O)C1CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000084075756 431813638 /nfs/dbraw/zinc/81/36/38/431813638.db2.gz KANCPWMPLFPPOV-CYBMUJFWSA-N 1 0 322.474 3.053 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@@H](C)c2ccc(F)cc2F)C1 ZINC000122125633 431814781 /nfs/dbraw/zinc/81/47/81/431814781.db2.gz XXMQOWOGEDDXBZ-XNJGSVPQSA-N 1 0 324.415 3.303 10 0 DGAERO C[NH+](C)C(C)(C)Cc1ccc(I)cc1 ZINC000033902485 431817443 /nfs/dbraw/zinc/81/74/43/431817443.db2.gz PZIVQNCOTRXRLT-UHFFFAOYSA-N 1 0 303.187 3.174 10 0 DGAERO CCn1cc(C2CC[NH+](CCc3ccccc3F)CC2)cn1 ZINC000121361218 431774469 /nfs/dbraw/zinc/77/44/69/431774469.db2.gz NAGIPNBKAZEBHU-UHFFFAOYSA-N 1 0 301.409 3.464 10 0 DGAERO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000036825299 431841495 /nfs/dbraw/zinc/84/14/95/431841495.db2.gz WMPQGQMANLSTMN-CABZTGNLSA-N 1 0 317.216 3.089 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccccc2F)CC[N@@H+]1C ZINC000122703662 431842818 /nfs/dbraw/zinc/84/28/18/431842818.db2.gz SCTSPTOOMLJWPU-UONOGXRCSA-N 1 0 306.425 3.044 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)[C@H](C)c1c(F)cccc1F ZINC000122708075 431842920 /nfs/dbraw/zinc/84/29/20/431842920.db2.gz QBVFIROEDVXEOQ-GFCCVEGCSA-N 1 0 321.371 3.237 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000085987618 431843107 /nfs/dbraw/zinc/84/31/07/431843107.db2.gz JLQQUHAEBHYHDM-BXUZGUMPSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3s2)CC[N@@H+]1C ZINC000122850017 431845839 /nfs/dbraw/zinc/84/58/39/431845839.db2.gz RMNSVZVVZBSNCI-OCCSQVGLSA-N 1 0 302.443 3.456 10 0 DGAERO COC(=O)CCC[NH2+][C@H](C)c1ccccc1Br ZINC000037416969 431846702 /nfs/dbraw/zinc/84/67/02/431846702.db2.gz RRMSBESEVIQEOM-SNVBAGLBSA-N 1 0 300.196 3.053 10 0 DGAERO O=C(CCCc1cccs1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917198 431851819 /nfs/dbraw/zinc/85/18/19/431851819.db2.gz ALPCWGAIZGZURG-GDBMZVCRSA-N 1 0 306.475 3.061 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000044353027 431873417 /nfs/dbraw/zinc/87/34/17/431873417.db2.gz FJQQFFHBIKSKMV-AWEZNQCLSA-N 1 0 303.427 3.249 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1cccc(Cl)c1 ZINC000037975365 431852301 /nfs/dbraw/zinc/85/23/01/431852301.db2.gz VAUOFOMUIKVOIZ-SWLSCSKDSA-N 1 0 309.793 3.161 10 0 DGAERO Cc1nccc(C[NH2+][C@@H](C)c2cccc(Br)c2)n1 ZINC000038037418 431854332 /nfs/dbraw/zinc/85/43/32/431854332.db2.gz WAVLNQGHUCDWMU-JTQLQIEISA-N 1 0 306.207 3.398 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2csc(Br)c2)CC[N@@H+]1C ZINC000123101376 431854910 /nfs/dbraw/zinc/85/49/10/431854910.db2.gz PXWHKYYEGJVGDH-JQWIXIFHSA-N 1 0 317.296 3.425 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2ncc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000123139805 431856618 /nfs/dbraw/zinc/85/66/18/431856618.db2.gz FOHLXXKNBASKDC-KBPBESRZSA-N 1 0 317.408 3.395 10 0 DGAERO O=C(C[C@@H]1CCCCO1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000088287338 431857045 /nfs/dbraw/zinc/85/70/45/431857045.db2.gz YNVUPQCZAMCUOK-KRWDZBQOSA-N 1 0 302.418 3.180 10 0 DGAERO Cc1ccc(CCC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000040653334 431857984 /nfs/dbraw/zinc/85/79/84/431857984.db2.gz SLYPGAIDFRAWPD-QGZVFWFLSA-N 1 0 302.462 3.164 10 0 DGAERO O[C@H]1CCC[C@H]1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000089165109 431861199 /nfs/dbraw/zinc/86/11/99/431861199.db2.gz QAKVIQITAWAQNK-QTISTPMNSA-N 1 0 324.262 3.446 10 0 DGAERO Cc1nn(C)c(C[NH2+]CC2CCCCC2)c1Br ZINC000089231816 431861631 /nfs/dbraw/zinc/86/16/31/431861631.db2.gz RCBDABOCRNEADV-UHFFFAOYSA-N 1 0 300.244 3.161 10 0 DGAERO CCOc1cc(C[N@H+](C)C[C@](C)(O)CC)ccc1OC(F)F ZINC000123372937 431863512 /nfs/dbraw/zinc/86/35/12/431863512.db2.gz YFKXXJKRYQBFFA-MRXNPFEDSA-N 1 0 317.376 3.280 10 0 DGAERO CC[C@](C)(O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000123441471 431865144 /nfs/dbraw/zinc/86/51/44/431865144.db2.gz BEGXLEQMMZBXSP-KRWDZBQOSA-N 1 0 309.837 3.396 10 0 DGAERO COc1ccccc1[C@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000089640504 431873817 /nfs/dbraw/zinc/87/38/17/431873817.db2.gz FKHZJASLXNIJQJ-ZDUSSCGKSA-N 1 0 318.442 3.227 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000122192077 431818826 /nfs/dbraw/zinc/81/88/26/431818826.db2.gz QQJGBCFULNTJEV-CJNGLKHVSA-N 1 0 308.853 3.451 10 0 DGAERO CCCCS[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000122385903 431830960 /nfs/dbraw/zinc/83/09/60/431830960.db2.gz YWGGVRBOPKUMFO-RRFJBIMHSA-N 1 0 300.512 3.097 10 0 DGAERO C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000085290399 431838257 /nfs/dbraw/zinc/83/82/57/431838257.db2.gz ATOZEDOGZUCOBM-UZYOAWRESA-N 1 0 306.425 3.322 10 0 DGAERO CNc1c(Cl)ncnc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000124939305 431909027 /nfs/dbraw/zinc/90/90/27/431909027.db2.gz WTUIUTFEDPTVSW-ZDUSSCGKSA-N 1 0 323.872 3.017 10 0 DGAERO CC[C@H](C)N(C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000047379043 431909651 /nfs/dbraw/zinc/90/96/51/431909651.db2.gz PISNXEVVXHMQDS-HNNXBMFYSA-N 1 0 318.465 3.091 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(Br)cc1 ZINC000092664884 431910548 /nfs/dbraw/zinc/91/05/48/431910548.db2.gz WMCXVTHJEMJTMU-HNNXBMFYSA-N 1 0 311.267 3.365 10 0 DGAERO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(C)ccc1OC ZINC000093370052 431914372 /nfs/dbraw/zinc/91/43/72/431914372.db2.gz QULWPSZBRXESAK-MRXNPFEDSA-N 1 0 304.434 3.057 10 0 DGAERO COc1c(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c(C)nn1C ZINC000093668276 431917493 /nfs/dbraw/zinc/91/74/93/431917493.db2.gz IBOUZUQAJBWFMF-PBHICJAKSA-N 1 0 313.445 3.363 10 0 DGAERO Cc1ccc(F)cc1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000071790637 280856979 /nfs/dbraw/zinc/85/69/79/280856979.db2.gz ZHTYDQQOUGNNIW-DZGCQCFKSA-N 1 0 308.397 3.186 10 0 DGAERO C[C@H](c1ccccn1)[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095088764 431920924 /nfs/dbraw/zinc/92/09/24/431920924.db2.gz QYDJGKSXYOYZKO-CQSZACIVSA-N 1 0 319.449 3.474 10 0 DGAERO C[C@H](c1ccccn1)[N@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088739 431921185 /nfs/dbraw/zinc/92/11/85/431921185.db2.gz PAEUAVJGVSSORT-CABCVRRESA-N 1 0 319.449 3.474 10 0 DGAERO C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088795 431921381 /nfs/dbraw/zinc/92/13/81/431921381.db2.gz ZEQIZGLYRCWMAZ-CABCVRRESA-N 1 0 319.449 3.474 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088732 431921697 /nfs/dbraw/zinc/92/16/97/431921697.db2.gz CRMNSYOBQUIXOA-KBPBESRZSA-N 1 0 307.438 3.407 10 0 DGAERO Brc1cc(COCCC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000095092471 431922025 /nfs/dbraw/zinc/92/20/25/431922025.db2.gz YSCCBPCXGMAPPR-ZDUSSCGKSA-N 1 0 313.239 3.283 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc[nH]1 ZINC000095089189 431922221 /nfs/dbraw/zinc/92/22/21/431922221.db2.gz SMYYTWKKJXETNC-KBPBESRZSA-N 1 0 307.438 3.455 10 0 DGAERO CCc1ccc([C@H](C)N[C@H]2CCCn3nc(COC)nc32)s1 ZINC000125392856 431923671 /nfs/dbraw/zinc/92/36/71/431923671.db2.gz YAHUKUVTAAFBKJ-AAEUAGOBSA-N 1 0 320.462 3.234 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C1CCCCC1 ZINC000089732476 431875991 /nfs/dbraw/zinc/87/59/91/431875991.db2.gz WPFIUSNTVQHPHA-IRXDYDNUSA-N 1 0 302.466 3.394 10 0 DGAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000089732883 431876213 /nfs/dbraw/zinc/87/62/13/431876213.db2.gz SNKMTLBNKGUQHB-PKOBYXMFSA-N 1 0 324.472 3.365 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc2c(c1)CCC2 ZINC000089732312 431876338 /nfs/dbraw/zinc/87/63/38/431876338.db2.gz IKDJQRWHVBCTPZ-HNAYVOBHSA-N 1 0 322.456 3.285 10 0 DGAERO CC[C@@H](C)n1ncc(C(=O)NC[C@@H](C)[NH+](CC)CC)c1C1CC1 ZINC000089736694 431877428 /nfs/dbraw/zinc/87/74/28/431877428.db2.gz WYUUTEISNVLYAL-ZIAGYGMSSA-N 1 0 320.481 3.192 10 0 DGAERO C[C@@H]1C[C@@H](N(C)c2nc(-c3ccccc3)ns2)CC[N@@H+]1C ZINC000125449011 431925458 /nfs/dbraw/zinc/92/54/58/431925458.db2.gz LQQYTLVZUMLUIB-OCCSQVGLSA-N 1 0 302.447 3.124 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC2CC2)CC[N@@H+]1C ZINC000124054690 431882244 /nfs/dbraw/zinc/88/22/44/431882244.db2.gz MBACGKICLGODAR-HOCLYGCPSA-N 1 0 316.445 3.030 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C2(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000124141141 431884400 /nfs/dbraw/zinc/88/44/00/431884400.db2.gz OHYYYYBBVNHTDB-CZUORRHYSA-N 1 0 320.864 3.313 10 0 DGAERO C[C@@H]1CCc2sc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2C1 ZINC000124470381 431894391 /nfs/dbraw/zinc/89/43/91/431894391.db2.gz SBXOMPYJSCPTBM-UMVBOHGHSA-N 1 0 320.502 3.428 10 0 DGAERO CC(C)[C@H](Cc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124554875 431897396 /nfs/dbraw/zinc/89/73/96/431897396.db2.gz AIEHLSNISBNTQB-NEWSRXKRSA-N 1 0 316.489 3.442 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000090916622 431897691 /nfs/dbraw/zinc/89/76/91/431897691.db2.gz WLCBCDAHBRYUFL-YESZJQIVSA-N 1 0 310.869 3.346 10 0 DGAERO Cc1ccc2cccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2n1 ZINC000124558886 431898429 /nfs/dbraw/zinc/89/84/29/431898429.db2.gz BKZGCXUSWYFVNV-ZBFHGGJFSA-N 1 0 311.429 3.098 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1NC(C)=O ZINC000090966157 431898634 /nfs/dbraw/zinc/89/86/34/431898634.db2.gz XMQBOZWSWOQMSM-AVGNSLFASA-N 1 0 320.433 3.260 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124590708 431899409 /nfs/dbraw/zinc/89/94/09/431899409.db2.gz XQWHWUDCZVQTRK-INMHGKMJSA-N 1 0 320.502 3.498 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000124645453 431899548 /nfs/dbraw/zinc/89/95/48/431899548.db2.gz PFXBHFRRNSNNJT-CVEARBPZSA-N 1 0 321.465 3.316 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCc3ccc(C)cc3)C2)n1 ZINC000124632942 431900102 /nfs/dbraw/zinc/90/01/02/431900102.db2.gz HQQMQTZFOXURCN-IBGZPJMESA-N 1 0 312.461 3.158 10 0 DGAERO Cc1ccc(OCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000124690930 431901945 /nfs/dbraw/zinc/90/19/45/431901945.db2.gz KYTIBGQRTPLCOZ-SJORKVTESA-N 1 0 318.461 3.013 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc3ccccc3c2O)CC[N@@H+]1C ZINC000124747473 431903268 /nfs/dbraw/zinc/90/32/68/431903268.db2.gz RAWDXUJWJCSLOY-DZGCQCFKSA-N 1 0 312.413 3.100 10 0 DGAERO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000124751295 431903778 /nfs/dbraw/zinc/90/37/78/431903778.db2.gz XTWWISLCXJKDGF-OCCSQVGLSA-N 1 0 310.388 3.407 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000124781541 431904171 /nfs/dbraw/zinc/90/41/71/431904171.db2.gz SCFFVLLHMXHNDQ-DZGCQCFKSA-N 1 0 308.853 3.214 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)NCC[N@H+]2CCCC[C@H]2C)c1C ZINC000047143200 431905997 /nfs/dbraw/zinc/90/59/97/431905997.db2.gz HRFNJLQIFXRMBY-CYBMUJFWSA-N 1 0 313.445 3.389 10 0 DGAERO C[NH+](C)CCOc1ccccc1C(=O)NC1CCCCCC1 ZINC000047295268 431907540 /nfs/dbraw/zinc/90/75/40/431907540.db2.gz QZYBJXRRVAOLLL-UHFFFAOYSA-N 1 0 304.434 3.080 10 0 DGAERO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127716406 431978845 /nfs/dbraw/zinc/97/88/45/431978845.db2.gz VGJLRQXXCYJRHK-KBPBESRZSA-N 1 0 323.506 3.361 10 0 DGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127716683 431979079 /nfs/dbraw/zinc/97/90/79/431979079.db2.gz QIBULLDWAODBRB-CQSZACIVSA-N 1 0 323.506 3.361 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc(Cl)c1Cl ZINC000125498031 431927584 /nfs/dbraw/zinc/92/75/84/431927584.db2.gz CHBDSRINMXLFOG-XHDPSFHLSA-N 1 0 318.244 3.433 10 0 DGAERO Cc1cc2cc([C@@H](C)[NH2+]C[C@]3(CCO)CCOC3)oc2cc1C ZINC000125515869 431928479 /nfs/dbraw/zinc/92/84/79/431928479.db2.gz CCRXTAJNTFBMLK-BEFAXECRSA-N 1 0 317.429 3.489 10 0 DGAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000125533575 431929601 /nfs/dbraw/zinc/92/96/01/431929601.db2.gz KSRCHHBUESNUAG-XHDPSFHLSA-N 1 0 318.244 3.433 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(-c2ccccc2)o1 ZINC000125789059 431936222 /nfs/dbraw/zinc/93/62/22/431936222.db2.gz KTMLWSFRVIPIPQ-KXBFYZLASA-N 1 0 315.413 3.386 10 0 DGAERO O=C(CCCc1cccs1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049072922 431936358 /nfs/dbraw/zinc/93/63/58/431936358.db2.gz WQZCKPHIXOBZCQ-UHFFFAOYSA-N 1 0 320.502 3.405 10 0 DGAERO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(S(C)(=O)=O)cc1 ZINC000049152875 431937418 /nfs/dbraw/zinc/93/74/18/431937418.db2.gz LKSZKBKLKODENP-GFCCVEGCSA-N 1 0 309.456 3.045 10 0 DGAERO O=C(c1cc(F)c(Cl)cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000049515953 431941114 /nfs/dbraw/zinc/94/11/14/431941114.db2.gz AAMRTKZKMCMGBQ-SECBINFHSA-N 1 0 317.191 3.053 10 0 DGAERO O=C(c1cc(F)c(Cl)cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049515954 431941281 /nfs/dbraw/zinc/94/12/81/431941281.db2.gz AAMRTKZKMCMGBQ-VIFPVBQESA-N 1 0 317.191 3.053 10 0 DGAERO CC(C)Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000049779537 431943262 /nfs/dbraw/zinc/94/32/62/431943262.db2.gz WLCZLIFWDIYSTI-HNNXBMFYSA-N 1 0 317.477 3.340 10 0 DGAERO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)cc1F ZINC000126364370 431948139 /nfs/dbraw/zinc/94/81/39/431948139.db2.gz ZKLNIMSCNHJNTL-LBPRGKRZSA-N 1 0 310.800 3.098 10 0 DGAERO C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H]1COc2ccccc21 ZINC000126398916 431949220 /nfs/dbraw/zinc/94/92/20/431949220.db2.gz NUMAWHPOWSQJLU-KBXCAEBGSA-N 1 0 324.424 3.043 10 0 DGAERO CN(C)c1ccccc1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126533008 431952096 /nfs/dbraw/zinc/95/20/96/431952096.db2.gz ZDSLEORMMCNVJS-LJQANCHMSA-N 1 0 312.413 3.032 10 0 DGAERO O=C(NCCC1=CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126578165 431952909 /nfs/dbraw/zinc/95/29/09/431952909.db2.gz QFHQGPRVECCRRI-AEFFLSMTSA-N 1 0 317.477 3.145 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000052592578 431956779 /nfs/dbraw/zinc/95/67/79/431956779.db2.gz UHDKJQPCJNCIGJ-XJKSGUPXSA-N 1 0 307.413 3.012 10 0 DGAERO Cc1ccccc1-c1nc(CN2CCC([NH2+]C(C)C)CC2)no1 ZINC000126892187 431960595 /nfs/dbraw/zinc/96/05/95/431960595.db2.gz ZEDOPAMPODPVBS-UHFFFAOYSA-N 1 0 314.433 3.007 10 0 DGAERO CCCn1cc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cn1 ZINC000126948599 431961045 /nfs/dbraw/zinc/96/10/45/431961045.db2.gz TXHWZRKAJJCIKF-INIZCTEOSA-N 1 0 301.409 3.497 10 0 DGAERO CCc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)oc1CC ZINC000127072266 431963765 /nfs/dbraw/zinc/96/37/65/431963765.db2.gz OZXJKSJBIUIMHQ-MRXNPFEDSA-N 1 0 318.461 3.495 10 0 DGAERO CCOc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)C)cc1OC ZINC000097165761 431964273 /nfs/dbraw/zinc/96/42/73/431964273.db2.gz OANGHUIFHNYRJU-CRAIPNDOSA-N 1 0 307.434 3.245 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000054003185 431967198 /nfs/dbraw/zinc/96/71/98/431967198.db2.gz PJVJXUIEUCZFNW-QGZVFWFLSA-N 1 0 309.413 3.062 10 0 DGAERO C[C@@H](C1CC1)N(C(=O)C[N@H+](C)CCc1ccc(F)cc1)C1CC1 ZINC000097269084 431967276 /nfs/dbraw/zinc/96/72/76/431967276.db2.gz JREZSXUHFYBZIZ-AWEZNQCLSA-N 1 0 318.436 3.090 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000127262804 431967928 /nfs/dbraw/zinc/96/79/28/431967928.db2.gz YFNCTZLVUKYOBZ-IUODEOHRSA-N 1 0 321.852 3.107 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nccc3ccccc32)[C@H](C)C1 ZINC000127384121 431970434 /nfs/dbraw/zinc/97/04/34/431970434.db2.gz ZKZXOHUISKPOKL-PBHICJAKSA-N 1 0 311.429 3.037 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2cc3ccc(Cl)cc3[nH]2)CC[N@@H+]1C ZINC000127885488 431982767 /nfs/dbraw/zinc/98/27/67/431982767.db2.gz JYXGTXRQQRNNBM-FZMZJTMJSA-N 1 0 319.836 3.376 10 0 DGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC23CCC3)C1 ZINC000435506167 281074027 /nfs/dbraw/zinc/07/40/27/281074027.db2.gz SPVRVMZWTYIWER-HNNXBMFYSA-N 1 0 307.482 3.225 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000172549092 281373664 /nfs/dbraw/zinc/37/36/64/281373664.db2.gz UOOIWDKUWTYWQT-GDBMZVCRSA-N 1 0 310.445 3.379 10 0 DGAERO Cc1ccccc1[C@H](C)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245538419 281380299 /nfs/dbraw/zinc/38/02/99/281380299.db2.gz YZQJHUJZPTTZCU-RBUKOAKNSA-N 1 0 315.505 3.158 10 0 DGAERO C[C@H](O)[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000183212287 432269333 /nfs/dbraw/zinc/26/93/33/432269333.db2.gz QOILZZAKSIHOLC-NWDGAFQWSA-N 1 0 306.793 3.198 10 0 DGAERO CC(C)CC[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173306176 432269738 /nfs/dbraw/zinc/26/97/38/432269738.db2.gz GPAMEUXIUKWDLU-BBWFWOEESA-N 1 0 309.498 3.468 10 0 DGAERO COCc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000248134975 432270647 /nfs/dbraw/zinc/27/06/47/432270647.db2.gz XENDQGWUIKDEGH-RBUKOAKNSA-N 1 0 324.424 3.008 10 0 DGAERO O=C(c1ccc[nH]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248155966 432271453 /nfs/dbraw/zinc/27/14/53/432271453.db2.gz RJZXFPRQHMSLNK-PKOBYXMFSA-N 1 0 323.440 3.141 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCN2CCCC[C@@H]2C)cc1OC ZINC000173323564 432272237 /nfs/dbraw/zinc/27/22/37/432272237.db2.gz URWCHMHUAZAYGD-GJZGRUSLSA-N 1 0 306.450 3.229 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000173388024 432276447 /nfs/dbraw/zinc/27/64/47/432276447.db2.gz LSADKEQXSBYFGO-WFASDCNBSA-N 1 0 309.841 3.185 10 0 DGAERO Cc1cccc2[nH]cc(CC[NH2+][C@H](c3nccn3C)C3CC3)c21 ZINC000183268771 432276465 /nfs/dbraw/zinc/27/64/65/432276465.db2.gz PIMHSPSXXMAVAK-SFHVURJKSA-N 1 0 308.429 3.493 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)c1cccs1 ZINC000173423193 432277041 /nfs/dbraw/zinc/27/70/41/432277041.db2.gz VDPMGFCNWYKFCS-BFHYXJOUSA-N 1 0 307.463 3.077 10 0 DGAERO C[C@@H]1CC[C@H](C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)O1 ZINC000248295169 432278638 /nfs/dbraw/zinc/27/86/38/432278638.db2.gz YJLWAHFSZKEPET-LZLYRXPVSA-N 1 0 322.493 3.057 10 0 DGAERO CCOC(=O)c1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)o1 ZINC000191574241 432279232 /nfs/dbraw/zinc/27/92/32/432279232.db2.gz AHXXNCNNDXLCQM-UHFFFAOYSA-N 1 0 317.385 3.111 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1F ZINC000183298725 432280304 /nfs/dbraw/zinc/28/03/04/432280304.db2.gz VZKKBTNUMNIPMR-STQMWFEESA-N 1 0 318.371 3.074 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)o1 ZINC000173464346 432281210 /nfs/dbraw/zinc/28/12/10/432281210.db2.gz FLHXIFUYUHJAOV-OAGGEKHMSA-N 1 0 319.449 3.306 10 0 DGAERO COc1cc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(C)cc2)ccc1F ZINC000191594750 432281523 /nfs/dbraw/zinc/28/15/23/432281523.db2.gz SEOZNYKTPVDBRW-RHSMWYFYSA-N 1 0 317.404 3.397 10 0 DGAERO CC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccc(F)cc1 ZINC000248389771 432283065 /nfs/dbraw/zinc/28/30/65/432283065.db2.gz BGRMQIIZSQVZRF-COXVUDFISA-N 1 0 306.425 3.164 10 0 DGAERO CCOCCN1CC[N@@H+]([C@@H](C)CCc2cccc(F)c2)C[C@H]1C ZINC000248385451 432284113 /nfs/dbraw/zinc/28/41/13/432284113.db2.gz IOAIRCBSKYGTSK-DLBZAZTESA-N 1 0 322.468 3.189 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2nc3ccccc3n2C(F)F)CC[N@@H+]1C ZINC000173528570 432284467 /nfs/dbraw/zinc/28/44/67/432284467.db2.gz LMHMBHCAAGFOSW-STQMWFEESA-N 1 0 322.403 3.346 10 0 DGAERO CC(C)[NH+]1CCC(N[C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000173613641 432289473 /nfs/dbraw/zinc/28/94/73/432289473.db2.gz VYGYOFAMNSSFCU-AWEZNQCLSA-N 1 0 314.433 3.260 10 0 DGAERO CCCCCC[C@@H](C)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000173625845 432291403 /nfs/dbraw/zinc/29/14/03/432291403.db2.gz MJADSBSRJMATAM-IAGOWNOFSA-N 1 0 324.509 3.305 10 0 DGAERO COC(=O)[C@@H](c1cccnc1)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000248444877 432292570 /nfs/dbraw/zinc/29/25/70/432292570.db2.gz GFDBYKAWOIKMIT-IEBWSBKVSA-N 1 0 324.424 3.402 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)C2CCCC2)CC[N@@H+]1C ZINC000152025051 432297316 /nfs/dbraw/zinc/29/73/16/432297316.db2.gz ZUNQGNBUXZFSSV-HOCLYGCPSA-N 1 0 309.498 3.327 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](CCc3ccc(F)c(F)c3)C2)no1 ZINC000152034022 432298443 /nfs/dbraw/zinc/29/84/43/432298443.db2.gz ITAGYRSJAFLBQG-CQSZACIVSA-N 1 0 321.371 3.153 10 0 DGAERO O=C1[C@@H]([NH2+]C/C=C/c2ccccc2)CCN1Cc1ccc(F)cc1 ZINC000191765147 432299229 /nfs/dbraw/zinc/29/92/29/432299229.db2.gz YEFSDUDGWVEWCB-QTWIXLPOSA-N 1 0 324.399 3.230 10 0 DGAERO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000248550084 432299767 /nfs/dbraw/zinc/29/97/67/432299767.db2.gz HURAIXVKODNHSR-KZNAEPCWSA-N 1 0 309.425 3.121 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000191775358 432301502 /nfs/dbraw/zinc/30/15/02/432301502.db2.gz ROLNWWOWZHZREE-SFHVURJKSA-N 1 0 312.388 3.025 10 0 DGAERO CC(C)c1nc2c(n1C)CC[N@H+](CCc1ccc(F)c(F)c1)C2 ZINC000152064499 432301723 /nfs/dbraw/zinc/30/17/23/432301723.db2.gz QKZKEAMHZOTGQT-UHFFFAOYSA-N 1 0 319.399 3.423 10 0 DGAERO CC(C)(O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000248581804 432302576 /nfs/dbraw/zinc/30/25/76/432302576.db2.gz WCZHYRRKNVZOQN-RCCFBDPRSA-N 1 0 315.457 3.351 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)cn1 ZINC000128485003 431995812 /nfs/dbraw/zinc/99/58/12/431995812.db2.gz BNKLPRMZUSLSPM-GOSISDBHSA-N 1 0 318.424 3.472 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000102686969 431997281 /nfs/dbraw/zinc/99/72/81/431997281.db2.gz PFRZCCNFOZMHBA-SNVBAGLBSA-N 1 0 301.217 3.266 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc2ncccc21 ZINC000060452086 431998692 /nfs/dbraw/zinc/99/86/92/431998692.db2.gz AWFQAHNDUZAYJB-HNNXBMFYSA-N 1 0 313.445 3.475 10 0 DGAERO O[C@@H](C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000102845529 431998705 /nfs/dbraw/zinc/99/87/05/431998705.db2.gz XXNNJBWSMLJAEL-MSOLQXFVSA-N 1 0 300.377 3.046 10 0 DGAERO Cc1ccc(CCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000248041916 432263174 /nfs/dbraw/zinc/26/31/74/432263174.db2.gz MEZWRRDLKKLXDB-FPOVZHCZSA-N 1 0 322.452 3.489 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cn3cc(Cl)ccc3n1)CC2 ZINC000248058693 432265557 /nfs/dbraw/zinc/26/55/57/432265557.db2.gz XSRHNWNYLCHTIC-GUYCJALGSA-N 1 0 319.836 3.115 10 0 DGAERO C[C@H](Oc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248072972 432265939 /nfs/dbraw/zinc/26/59/39/432265939.db2.gz QQJFUNKQZCEOTC-SNRMKQJTSA-N 1 0 324.424 3.016 10 0 DGAERO C[C@H]1C[N@@H+](C2CCN(C(=O)CCCC3CCCC3)CC2)CCO1 ZINC000173253390 432266249 /nfs/dbraw/zinc/26/62/49/432266249.db2.gz UTJRXSJNWMSIID-INIZCTEOSA-N 1 0 322.493 3.059 10 0 DGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cn3cc(Cl)ccc3n1)CC2 ZINC000248058697 432266464 /nfs/dbraw/zinc/26/64/64/432266464.db2.gz XSRHNWNYLCHTIC-SUMWQHHRSA-N 1 0 319.836 3.115 10 0 DGAERO O=C(NCc1ccccc1OCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000152245431 432316396 /nfs/dbraw/zinc/31/63/96/432316396.db2.gz DGLFDCSKLVFWJR-GOSISDBHSA-N 1 0 324.424 3.024 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000152251055 432317339 /nfs/dbraw/zinc/31/73/39/432317339.db2.gz WJQAETLYTMSWKZ-GOSISDBHSA-N 1 0 319.424 3.493 10 0 DGAERO c1ccc([C@H]([NH2+]C2CCC3(CC2)OCCO3)c2cccnc2)cc1 ZINC000183707734 432318865 /nfs/dbraw/zinc/31/88/65/432318865.db2.gz GNXNBAUVMCDGCH-IBGZPJMESA-N 1 0 324.424 3.446 10 0 DGAERO Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000174084851 432319975 /nfs/dbraw/zinc/31/99/75/432319975.db2.gz HAJDLABEVHPHOV-IBGZPJMESA-N 1 0 323.440 3.061 10 0 DGAERO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000248824596 432320298 /nfs/dbraw/zinc/32/02/98/432320298.db2.gz GQKCBZDHTHNOFZ-ZWKOTPCHSA-N 1 0 313.441 3.488 10 0 DGAERO c1ccc(CCC[N@@H+]2CCCN(C[C@H]3CCC=CO3)CC2)cc1 ZINC000248874610 432325451 /nfs/dbraw/zinc/32/54/51/432325451.db2.gz IYNCULZGILDFSB-HXUWFJFHSA-N 1 0 314.473 3.320 10 0 DGAERO C=Cn1cc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000248880375 432325591 /nfs/dbraw/zinc/32/55/91/432325591.db2.gz KPEGRTYNJVIUFG-IRXDYDNUSA-N 1 0 302.466 3.070 10 0 DGAERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)CC3CCCC3)C2)n1 ZINC000248873124 432325693 /nfs/dbraw/zinc/32/56/93/432325693.db2.gz DPXVSAYXTFZRPF-ROUUACIJSA-N 1 0 317.477 3.065 10 0 DGAERO Cc1ccc(-c2cc(C[N@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)on2)cc1 ZINC000248888130 432327671 /nfs/dbraw/zinc/32/76/71/432327671.db2.gz ALJJTQRAYRTJQJ-MIFYACCESA-N 1 0 300.402 3.384 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)ccc1F ZINC000174196317 432329231 /nfs/dbraw/zinc/32/92/31/432329231.db2.gz XKZJYPMWWHNAIQ-JSGCOSHPSA-N 1 0 320.387 3.018 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@@H](C)O2)c1 ZINC000248973385 432330385 /nfs/dbraw/zinc/33/03/85/432330385.db2.gz SWBYXAVHQILUMT-KMFMINBZSA-N 1 0 305.418 3.408 10 0 DGAERO CCCC1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000174286755 432334296 /nfs/dbraw/zinc/33/42/96/432334296.db2.gz PEQCHUGCXFDGFO-RDHHWEPZSA-N 1 0 309.498 3.469 10 0 DGAERO C[C@H](c1cccc(F)c1)N1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000249067163 432336697 /nfs/dbraw/zinc/33/66/97/432336697.db2.gz KJBBAZPQGKNARC-IIDMSEBBSA-N 1 0 306.425 3.072 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Br)o1 ZINC000249094350 432337628 /nfs/dbraw/zinc/33/76/28/432337628.db2.gz VDQDEZBZYBNVHA-RYUDHWBXSA-N 1 0 313.239 3.101 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000249089979 432337756 /nfs/dbraw/zinc/33/77/56/432337756.db2.gz GJEAAUGAQQGUEQ-DJIMGWMZSA-N 1 0 318.848 3.187 10 0 DGAERO c1csc([C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c2ncc[nH]2)c1 ZINC000249112111 432339730 /nfs/dbraw/zinc/33/97/30/432339730.db2.gz RFCPWLYMZHXYJP-NFAWXSAZSA-N 1 0 303.431 3.108 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249184331 432342050 /nfs/dbraw/zinc/34/20/50/432342050.db2.gz JXHYDHQOVUYJIW-VDZJLULYSA-N 1 0 324.472 3.489 10 0 DGAERO C[N@H+](CC(C)(C)O)CC1(c2ccc(Br)cc2)CC1 ZINC000152598425 432343753 /nfs/dbraw/zinc/34/37/53/432343753.db2.gz PJTHSXPCCOJSRS-UHFFFAOYSA-N 1 0 312.251 3.183 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249289318 432344958 /nfs/dbraw/zinc/34/49/58/432344958.db2.gz JXJAOTOLDMSIQK-NQYYFHDYSA-N 1 0 314.473 3.448 10 0 DGAERO CC(C)[NH+](CCSCc1cc(-c2cnn(C)c2)no1)C(C)C ZINC000184031744 432347948 /nfs/dbraw/zinc/34/79/48/432347948.db2.gz CBZHDARNLCSDNM-UHFFFAOYSA-N 1 0 322.478 3.427 10 0 DGAERO CCCCOc1ccc(C[NH2+]CC2(C)OCCCO2)cc1OC ZINC000192253262 432349641 /nfs/dbraw/zinc/34/96/41/432349641.db2.gz BHURVTRFKDRUNG-UHFFFAOYSA-N 1 0 323.433 3.117 10 0 DGAERO Cc1cc(C[NH2+]CC2(C)OCCCO2)c(OC(F)F)cc1C ZINC000192248539 432349778 /nfs/dbraw/zinc/34/97/78/432349778.db2.gz KNVLZBJBTGNBFF-UHFFFAOYSA-N 1 0 315.360 3.148 10 0 DGAERO Cc1cc(C[NH2+]CC2(C)OCCCO2)cc(C)c1OC(F)F ZINC000192249779 432349811 /nfs/dbraw/zinc/34/98/11/432349811.db2.gz GEWSXPUBRVDOSD-UHFFFAOYSA-N 1 0 315.360 3.148 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH]c(-c2ccccc2)n1 ZINC000184054393 432349872 /nfs/dbraw/zinc/34/98/72/432349872.db2.gz AUKCVIQFNFNSRQ-QZTJIDSGSA-N 1 0 310.445 3.135 10 0 DGAERO Cc1cc(C[NH2+]CC2(C)OCCCO2)ccc1Br ZINC000192252880 432350155 /nfs/dbraw/zinc/35/01/55/432350155.db2.gz XLANABVYZBTKPC-UHFFFAOYSA-N 1 0 314.223 3.000 10 0 DGAERO Cc1ccc(-c2ncc(C[NH2+]CC3(C)OCCCO3)s2)cc1 ZINC000192248947 432350488 /nfs/dbraw/zinc/35/04/88/432350488.db2.gz BRFHHBAITLFZNB-UHFFFAOYSA-N 1 0 318.442 3.361 10 0 DGAERO OC[C@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1c1ccsc1 ZINC000249532429 432350568 /nfs/dbraw/zinc/35/05/68/432350568.db2.gz BGNJWQGHGIEOEA-SJLPKXTDSA-N 1 0 317.454 3.225 10 0 DGAERO COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000174495457 432352353 /nfs/dbraw/zinc/35/23/53/432352353.db2.gz MUUOYBBUUHHOTP-ZIAGYGMSSA-N 1 0 322.424 3.276 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000152737522 432353248 /nfs/dbraw/zinc/35/32/48/432353248.db2.gz ODTYBWYVNXQLPE-OAHLLOKOSA-N 1 0 311.429 3.095 10 0 DGAERO Cc1ccc2ncc(CNc3cccc4c3OCC[C@H]4O)n2c1 ZINC000184085216 432353399 /nfs/dbraw/zinc/35/33/99/432353399.db2.gz QWGFINNHVYNLJX-MRXNPFEDSA-N 1 0 309.369 3.071 10 0 DGAERO Cc1nnc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)n1C1CC1 ZINC000174508470 432353730 /nfs/dbraw/zinc/35/37/30/432353730.db2.gz BVNGFNOCUIDQPZ-IUODEOHRSA-N 1 0 300.406 3.488 10 0 DGAERO Cc1cccc2nc(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cn21 ZINC000173930535 432307615 /nfs/dbraw/zinc/30/76/15/432307615.db2.gz ZVJFALZKRQVXTB-MSOLQXFVSA-N 1 0 312.461 3.090 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)NCCCC2CCCCC2)CC[N@@H+]1C ZINC000173916604 432307679 /nfs/dbraw/zinc/30/76/79/432307679.db2.gz JSYKFZMDYDEPSL-DOTOQJQBSA-N 1 0 309.498 3.471 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCSCC(C)C)C1 ZINC000152138797 432307931 /nfs/dbraw/zinc/30/79/31/432307931.db2.gz MWBZIWJPNALWBZ-OAHLLOKOSA-N 1 0 300.512 3.146 10 0 DGAERO CNC(=O)Cc1nc(C[NH2+][C@H]2CCC[C@H]2CCC(C)C)cs1 ZINC000191879886 432309550 /nfs/dbraw/zinc/30/95/50/432309550.db2.gz VZNJSBUBHCBRIR-ZFWWWQNUSA-N 1 0 323.506 3.126 10 0 DGAERO CC[NH+]1CCN(c2cccc(N[C@@H]3CCCSC3)c2)CC1 ZINC000191884632 432309990 /nfs/dbraw/zinc/30/99/90/432309990.db2.gz OEPOZGISIJJTFZ-MRXNPFEDSA-N 1 0 305.491 3.136 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1nnc(C)n1CC ZINC000173994101 432311981 /nfs/dbraw/zinc/31/19/81/432311981.db2.gz YSVKKPVWLXJYDN-QGZVFWFLSA-N 1 0 300.450 3.368 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248725426 432313835 /nfs/dbraw/zinc/31/38/35/432313835.db2.gz CSUWIWSWHHBPFZ-WPKBUWHJSA-N 1 0 305.418 3.312 10 0 DGAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccnn1C ZINC000152197883 432314016 /nfs/dbraw/zinc/31/40/16/432314016.db2.gz IBBRNCJFLSMHKO-NSHDSACASA-N 1 0 313.430 3.098 10 0 DGAERO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc(F)cc1Cl ZINC000183684913 432315913 /nfs/dbraw/zinc/31/59/13/432315913.db2.gz CYGOEVQXPDLCRQ-SNVBAGLBSA-N 1 0 321.783 3.431 10 0 DGAERO CCc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000192412083 432372010 /nfs/dbraw/zinc/37/20/10/432372010.db2.gz ASDOWDJBYXTXJO-SFHVURJKSA-N 1 0 310.441 3.152 10 0 DGAERO CCc1ccc([C@@H]2CCCCN2C(=O)C[N@@H+](CC)C2CC2)o1 ZINC000152962473 432372267 /nfs/dbraw/zinc/37/22/67/432372267.db2.gz ZXDLBSDLLNOKRQ-INIZCTEOSA-N 1 0 304.434 3.380 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(Cl)ccc1Cl ZINC000251916118 432374059 /nfs/dbraw/zinc/37/40/59/432374059.db2.gz XOVKRMBBVAQKSY-QWRGUYRKSA-N 1 0 300.233 3.057 10 0 DGAERO Cc1cc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c(C)s1 ZINC000252390831 432375825 /nfs/dbraw/zinc/37/58/25/432375825.db2.gz OXUQCZKZLZQBBO-ZCDTZLGTSA-N 1 0 306.475 3.463 10 0 DGAERO CN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252446143 432376081 /nfs/dbraw/zinc/37/60/81/432376081.db2.gz MYYRCOKBRXBECD-WQVCFCJDSA-N 1 0 306.837 3.219 10 0 DGAERO Cc1nnc([C@H](N[C@@H](C)c2cncc(C)c2)c2ccccc2)[nH]1 ZINC000184339933 432381023 /nfs/dbraw/zinc/38/10/23/432381023.db2.gz MLRBLZQYWDJZOM-SUMWQHHRSA-N 1 0 307.401 3.257 10 0 DGAERO CN(Cc1ccc(F)cc1Cl)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192498878 432381328 /nfs/dbraw/zinc/38/13/28/432381328.db2.gz SXMJQSAUUYQVIM-UHFFFAOYSA-N 1 0 324.827 3.312 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000252645811 432384373 /nfs/dbraw/zinc/38/43/73/432384373.db2.gz CDRFLALEWCPPNN-YPMHNXCESA-N 1 0 307.825 3.349 10 0 DGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(OC(F)(F)F)cc1 ZINC000252731791 432385385 /nfs/dbraw/zinc/38/53/85/432385385.db2.gz ROSNVTFWERQNCI-HJTOQOCKSA-N 1 0 323.380 3.393 10 0 DGAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000184391134 432386330 /nfs/dbraw/zinc/38/63/30/432386330.db2.gz KNLKWETUUMVNDS-MAUKXSAKSA-N 1 0 315.461 3.222 10 0 DGAERO COC(=O)[C@@H](c1ccccc1C)N1CCC[C@H](C(F)(F)F)C1 ZINC000184396313 432387661 /nfs/dbraw/zinc/38/76/61/432387661.db2.gz DUYIEYYFBJWODS-GXTWGEPZSA-N 1 0 315.335 3.483 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccc(C)cc1 ZINC000175008673 432388839 /nfs/dbraw/zinc/38/88/39/432388839.db2.gz XNRPYUSFCBEHIF-QZTJIDSGSA-N 1 0 300.446 3.013 10 0 DGAERO Cc1cccc(-c2n[nH]cc2CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000252802912 432389081 /nfs/dbraw/zinc/38/90/81/432389081.db2.gz VTENVOIZIJGESL-HKUYNNGSSA-N 1 0 324.472 3.301 10 0 DGAERO Cc1ccsc1C(=O)NCCn1c(C)c[nH+]c1C1CCC1 ZINC000253402643 432391457 /nfs/dbraw/zinc/39/14/57/432391457.db2.gz GNTSEKNTCCENQB-UHFFFAOYSA-N 1 0 303.431 3.259 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1oc2ccccc2c1C ZINC000175035185 432391715 /nfs/dbraw/zinc/39/17/15/432391715.db2.gz FPCHSMCSCZGWBK-HUUCEWRRSA-N 1 0 312.413 3.440 10 0 DGAERO C[NH+](C)C1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175087072 432396056 /nfs/dbraw/zinc/39/60/56/432396056.db2.gz MHBZFRSUIJKRQD-UHFFFAOYSA-N 1 0 303.381 3.007 10 0 DGAERO CO[C@H](C)c1noc(CN(Cc2ccco2)C2CCCC2)n1 ZINC000175104781 432397935 /nfs/dbraw/zinc/39/79/35/432397935.db2.gz FINIPESXIVMDMD-GFCCVEGCSA-N 1 0 305.378 3.315 10 0 DGAERO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc2nc(Cl)ccc2c1 ZINC000184502177 432398702 /nfs/dbraw/zinc/39/87/02/432398702.db2.gz YNJKKZDSKIIEBU-UHFFFAOYSA-N 1 0 317.820 3.054 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(Cl)s1 ZINC000153326244 432401006 /nfs/dbraw/zinc/40/10/06/432401006.db2.gz IRBHCOQKEIEIPV-OLZOCXBDSA-N 1 0 316.898 3.411 10 0 DGAERO Cc1cc2occ(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c2cc1C ZINC000184524912 432401985 /nfs/dbraw/zinc/40/19/85/432401985.db2.gz MPSRVIIERBNLFN-LSDHHAIUSA-N 1 0 312.413 3.358 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000249763956 432356081 /nfs/dbraw/zinc/35/60/81/432356081.db2.gz HRONSTFIHWHMBZ-IPYPFGDCSA-N 1 0 307.438 3.069 10 0 DGAERO Fc1ccc(CN2CCC[C@@H]([NH2+]Cc3cocn3)C2)c(Cl)c1 ZINC000192311302 432357410 /nfs/dbraw/zinc/35/74/10/432357410.db2.gz IGIOOHSRIAXWGD-CQSZACIVSA-N 1 0 323.799 3.221 10 0 DGAERO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2cocn2)C1 ZINC000192304084 432357528 /nfs/dbraw/zinc/35/75/28/432357528.db2.gz LBVULVZVZJENPB-CYBMUJFWSA-N 1 0 305.809 3.253 10 0 DGAERO Brc1ccccc1C1(C[NH2+]Cc2cocn2)CC1 ZINC000192317876 432359146 /nfs/dbraw/zinc/35/91/46/432359146.db2.gz CTIRZYCMRARJRS-UHFFFAOYSA-N 1 0 307.191 3.259 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000249856083 432359861 /nfs/dbraw/zinc/35/98/61/432359861.db2.gz DGNKUGXXSVGQAJ-UKRRQHHQSA-N 1 0 302.397 3.378 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000249882191 432360747 /nfs/dbraw/zinc/36/07/47/432360747.db2.gz NXTLWHKIJCLXDW-ZIAGYGMSSA-N 1 0 302.397 3.378 10 0 DGAERO CC(C)(C)c1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n(C(C)(C)C)n1 ZINC000152849580 432361204 /nfs/dbraw/zinc/36/12/04/432361204.db2.gz SMOHZPAGBRHWLB-VXGBXAGGSA-N 1 0 306.454 3.002 10 0 DGAERO CC(C)CN(C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21)C(C)C ZINC000192348431 432362034 /nfs/dbraw/zinc/36/20/34/432362034.db2.gz HPENPMHZOMULSE-QGZVFWFLSA-N 1 0 318.461 3.252 10 0 DGAERO C[C@@H](C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000249984060 432362035 /nfs/dbraw/zinc/36/20/35/432362035.db2.gz YZKCQGJDQXNDNT-HOTGVXAUSA-N 1 0 322.880 3.098 10 0 DGAERO Cc1nc2cc(NC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)ccc2o1 ZINC000249924316 432362974 /nfs/dbraw/zinc/36/29/74/432362974.db2.gz ZMJVWJWYFHQDKU-UTUOFQBUSA-N 1 0 301.390 3.336 10 0 DGAERO C[C@H](CNC(=O)c1cccc2ncccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000249944790 432363062 /nfs/dbraw/zinc/36/30/62/432363062.db2.gz YDYGUWIRMZCKKL-HUUCEWRRSA-N 1 0 311.429 3.085 10 0 DGAERO O=C(NC1CC1)[C@@H]([NH2+]CCC1=CCCC1)c1ccc(F)cc1 ZINC000152930127 432367799 /nfs/dbraw/zinc/36/77/99/432367799.db2.gz PDABDWRMEMLVMH-KRWDZBQOSA-N 1 0 302.393 3.235 10 0 DGAERO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccccc1 ZINC000152929802 432368160 /nfs/dbraw/zinc/36/81/60/432368160.db2.gz XQVRQQDXNSEXOO-QGZVFWFLSA-N 1 0 302.418 3.049 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C)cc1 ZINC000174785526 432369937 /nfs/dbraw/zinc/36/99/37/432369937.db2.gz RTVPQXKQQAWMDI-MSOLQXFVSA-N 1 0 313.445 3.216 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCCC[C@H]1n1cccn1)c1cccc(Cl)c1 ZINC000251743594 432370266 /nfs/dbraw/zinc/37/02/66/432370266.db2.gz QSUIDQNWUGAZTI-GVDBMIGSSA-N 1 0 319.836 3.343 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000184756577 432431219 /nfs/dbraw/zinc/43/12/19/432431219.db2.gz DGNTUBHVZPBLFT-MJGOQNOKSA-N 1 0 316.489 3.349 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccccc1OCc1ccccc1 ZINC000261557043 432431232 /nfs/dbraw/zinc/43/12/32/432431232.db2.gz WTHAXDLKRNKTJJ-VQIMIIECSA-N 1 0 310.441 3.353 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2Oc2ccccc2)C1 ZINC000153673912 432431378 /nfs/dbraw/zinc/43/13/78/432431378.db2.gz STFQHIRROBNZLU-GOEBONIOSA-N 1 0 310.397 3.223 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccnn2C)cc1 ZINC000192944131 432431920 /nfs/dbraw/zinc/43/19/20/432431920.db2.gz RUSXEBZCZGJCKK-UONOGXRCSA-N 1 0 309.417 3.326 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1 ZINC000192944096 432432186 /nfs/dbraw/zinc/43/21/86/432432186.db2.gz RUSXEBZCZGJCKK-KBPBESRZSA-N 1 0 309.417 3.326 10 0 DGAERO O=C(Nc1ccc2ncsc2c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261594648 432433652 /nfs/dbraw/zinc/43/36/52/432433652.db2.gz AQTULAYMLKHFQN-QKCSRTOESA-N 1 0 301.415 3.156 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000261618678 432434808 /nfs/dbraw/zinc/43/48/08/432434808.db2.gz BPWZASRKCYRBKJ-UHFFFAOYSA-N 1 0 324.509 3.338 10 0 DGAERO CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)[C@H]1CCC[N@H+](C)C1 ZINC000153723303 432435147 /nfs/dbraw/zinc/43/51/47/432435147.db2.gz RPHVJRWLWULKQS-HNNXBMFYSA-N 1 0 316.376 3.252 10 0 DGAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1csc(C2CC2)n1 ZINC000261633318 432436457 /nfs/dbraw/zinc/43/64/57/432436457.db2.gz BGMFSMRXWZXPOK-UHFFFAOYSA-N 1 0 317.389 3.058 10 0 DGAERO CC[C@H]1C[N@H+](Cc2nc(N(C)C)no2)CC[C@@H]1c1ccccc1 ZINC000192987663 432436804 /nfs/dbraw/zinc/43/68/04/432436804.db2.gz JPQJWNFXGQUKSM-HOCLYGCPSA-N 1 0 314.433 3.151 10 0 DGAERO O=C(NCc1cccc2ccccc21)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261648285 432436861 /nfs/dbraw/zinc/43/68/61/432436861.db2.gz DZMUAQAOQLKBNK-LZQZEXGQSA-N 1 0 308.425 3.377 10 0 DGAERO O=C(NCc1cccc2ccccc21)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261648280 432437494 /nfs/dbraw/zinc/43/74/94/432437494.db2.gz DZMUAQAOQLKBNK-IPELMVKDSA-N 1 0 308.425 3.377 10 0 DGAERO Clc1cccc(Cl)c1OCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261667133 432438617 /nfs/dbraw/zinc/43/86/17/432438617.db2.gz FOLBGOTXDWDXAD-FZMZJTMJSA-N 1 0 315.244 3.056 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c(F)c1 ZINC000193022312 432439964 /nfs/dbraw/zinc/43/99/64/432439964.db2.gz MKAQLKNIBHXQCO-ZDUSSCGKSA-N 1 0 322.424 3.132 10 0 DGAERO C[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000261683399 432440604 /nfs/dbraw/zinc/44/06/04/432440604.db2.gz BPTZVGCBGBICCF-SMDDNHRTSA-N 1 0 314.351 3.496 10 0 DGAERO C[NH2+][C@H](C)Cc1noc(-c2sc(C3CCCC3)nc2C)n1 ZINC000261683535 432440933 /nfs/dbraw/zinc/44/09/33/432440933.db2.gz GZHCSOHWMQGTJY-SECBINFHSA-N 1 0 306.435 3.310 10 0 DGAERO C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193061549 432443352 /nfs/dbraw/zinc/44/33/52/432443352.db2.gz GDHORUXPVFUZAK-WBVHZDCISA-N 1 0 307.482 3.083 10 0 DGAERO CCCn1cc(CN2CC[NH2+]C[C@H]2c2ccc(CC)cc2)cn1 ZINC000261724363 432445156 /nfs/dbraw/zinc/44/51/56/432445156.db2.gz NQOIAXNLDBDECO-IBGZPJMESA-N 1 0 312.461 3.002 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)C(=O)c1ccc(Cl)s1 ZINC000261749727 432445489 /nfs/dbraw/zinc/44/54/89/432445489.db2.gz PDCRCFPMCXDTHG-UHFFFAOYSA-N 1 0 308.834 3.045 10 0 DGAERO CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1nsc(N(C)C)n1 ZINC000153848727 432448438 /nfs/dbraw/zinc/44/84/38/432448438.db2.gz CPEGYXYSVYZIPA-HNNXBMFYSA-N 1 0 318.490 3.366 10 0 DGAERO CC(C)c1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000261794652 432450465 /nfs/dbraw/zinc/45/04/65/432450465.db2.gz UVFQXXADFMHGEL-UHFFFAOYSA-N 1 0 310.441 3.454 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCO[C@H]1CCCCO1 ZINC000193122402 432452765 /nfs/dbraw/zinc/45/27/65/432452765.db2.gz PBXHLZRKYQCCRQ-BBRMVZONSA-N 1 0 309.454 3.140 10 0 DGAERO Fc1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1Cl ZINC000261835658 432454479 /nfs/dbraw/zinc/45/44/79/432454479.db2.gz ZDPASJNMDDLJDA-MRXNPFEDSA-N 1 0 305.784 3.021 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1cccc(OC(F)F)c1 ZINC000261845774 432455232 /nfs/dbraw/zinc/45/52/32/432455232.db2.gz XGWZVHHXWUEKAY-UHFFFAOYSA-N 1 0 320.383 3.291 10 0 DGAERO COC(=O)c1sccc1CN1CCC[C@H]1c1ccncc1 ZINC000153954146 432459825 /nfs/dbraw/zinc/45/98/25/432459825.db2.gz CBXDBVYELWYXAH-AWEZNQCLSA-N 1 0 302.399 3.267 10 0 DGAERO CN(Cc1cc(Br)ccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261899454 432457823 /nfs/dbraw/zinc/45/78/23/432457823.db2.gz VTHMHSRNJQNHQR-AWEZNQCLSA-N 1 0 315.230 3.020 10 0 DGAERO CC(C)[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC1CCC1 ZINC000193202740 432457899 /nfs/dbraw/zinc/45/78/99/432457899.db2.gz JRCQFBUANBTNHQ-CQSZACIVSA-N 1 0 320.399 3.298 10 0 DGAERO CC[NH+](CC)CCOc1ccc(NC(=O)CCSC)cc1 ZINC000193210843 432457939 /nfs/dbraw/zinc/45/79/39/432457939.db2.gz QSIPFOMKFKGJFU-UHFFFAOYSA-N 1 0 310.463 3.099 10 0 DGAERO Cc1ccccc1[C@H](NCc1nc(N(C)C)no1)C(C)(C)C ZINC000192784621 432412756 /nfs/dbraw/zinc/41/27/56/432412756.db2.gz HDHDGBOFGQLWOG-HNNXBMFYSA-N 1 0 302.422 3.321 10 0 DGAERO CO[C@@H](C)c1noc(CN2CC=C(c3cccs3)CC2)n1 ZINC000175245180 432415207 /nfs/dbraw/zinc/41/52/07/432415207.db2.gz BMWCODZQESTGSL-NSHDSACASA-N 1 0 305.403 3.128 10 0 DGAERO CCN1CCCn2ccnc2[C@@H]1C1CC[NH+](CC(C)C)CC1 ZINC000257189424 432416215 /nfs/dbraw/zinc/41/62/15/432416215.db2.gz IQQPVMBNRTXJDP-KRWDZBQOSA-N 1 0 304.482 3.018 10 0 DGAERO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184661404 432417446 /nfs/dbraw/zinc/41/74/46/432417446.db2.gz KLVBWMOXNBEZGS-UONOGXRCSA-N 1 0 304.434 3.041 10 0 DGAERO COc1cccc([C@@H](CNC(=O)[C@H](C)CC(C)C)[NH+](C)C)c1 ZINC000184655533 432417681 /nfs/dbraw/zinc/41/76/81/432417681.db2.gz KDFCLLHXQQVYOZ-RHSMWYFYSA-N 1 0 306.450 3.096 10 0 DGAERO CCO[C@H](C)c1nc(CN(C)C[C@H]2CCC[N@@H+]2CC)cs1 ZINC000175334688 432424311 /nfs/dbraw/zinc/42/43/11/432424311.db2.gz JVJMCSQBYYXZRE-UKRRQHHQSA-N 1 0 311.495 3.157 10 0 DGAERO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccs2)c1 ZINC000192866113 432424604 /nfs/dbraw/zinc/42/46/04/432424604.db2.gz OEKIVDPINWNMGM-ZDUSSCGKSA-N 1 0 318.442 3.066 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]c2cc(F)ccc12 ZINC000192876422 432425479 /nfs/dbraw/zinc/42/54/79/432425479.db2.gz AXMXLMMXPUHQBO-ZDUSSCGKSA-N 1 0 317.408 3.301 10 0 DGAERO CC[NH+]1CCC(n2nccc2NC(=O)[C@H](C)CC(C)C)CC1 ZINC000184726995 432425878 /nfs/dbraw/zinc/42/58/78/432425878.db2.gz BHRMFLIEEOVGAB-CQSZACIVSA-N 1 0 306.454 3.161 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc2ccccc2n1C(F)F ZINC000175357557 432427308 /nfs/dbraw/zinc/42/73/08/432427308.db2.gz MIYALQSORUXOLP-ZDUSSCGKSA-N 1 0 322.403 3.348 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000262118965 432474965 /nfs/dbraw/zinc/47/49/65/432474965.db2.gz LQSUDLWMCSWGHA-WCBMZHEXSA-N 1 0 307.385 3.030 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000185196028 432475671 /nfs/dbraw/zinc/47/56/71/432475671.db2.gz WIOCXJAOXQOWDM-IAGOWNOFSA-N 1 0 320.502 3.368 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3nccs3)C2)c1 ZINC000154148965 432476750 /nfs/dbraw/zinc/47/67/50/432476750.db2.gz OXUOQXUBCUMNFR-UONOGXRCSA-N 1 0 317.458 3.329 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3cccnc3)C2)c1 ZINC000154147522 432476991 /nfs/dbraw/zinc/47/69/91/432476991.db2.gz RDWZPOXCSBTRBZ-HZPDHXFCSA-N 1 0 311.429 3.267 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccnc3)C2)c1 ZINC000154147212 432477406 /nfs/dbraw/zinc/47/74/06/432477406.db2.gz RDWZPOXCSBTRBZ-HOTGVXAUSA-N 1 0 311.429 3.267 10 0 DGAERO Fc1cccc(Cl)c1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262251264 432478150 /nfs/dbraw/zinc/47/81/50/432478150.db2.gz QCAFYANXFMSAHB-MRXNPFEDSA-N 1 0 305.784 3.021 10 0 DGAERO CCCc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000262205189 432478299 /nfs/dbraw/zinc/47/82/99/432478299.db2.gz KVPIDHIFZBNKBT-UXHICEINSA-N 1 0 322.452 3.454 10 0 DGAERO C[C@@H]1CCC[C@H](CC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000262238344 432478899 /nfs/dbraw/zinc/47/88/99/432478899.db2.gz OUCFUXXZLXHJRA-JFRXWTBNSA-N 1 0 314.473 3.404 10 0 DGAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000262211075 432478919 /nfs/dbraw/zinc/47/89/19/432478919.db2.gz OCCUYLNHNYKTIQ-HOTGVXAUSA-N 1 0 317.433 3.190 10 0 DGAERO Fc1cccc(Cl)c1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262251261 432479100 /nfs/dbraw/zinc/47/91/00/432479100.db2.gz QCAFYANXFMSAHB-INIZCTEOSA-N 1 0 305.784 3.021 10 0 DGAERO Cc1nc(CC(C)C)c(NC(=O)c2ccc(C[NH3+])cc2)s1 ZINC000262280481 432480421 /nfs/dbraw/zinc/48/04/21/432480421.db2.gz IZFMOPXOJOVNAR-UHFFFAOYSA-N 1 0 303.431 3.361 10 0 DGAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000185228688 432481799 /nfs/dbraw/zinc/48/17/99/432481799.db2.gz ZVPUPGYFWVNFSG-INIZCTEOSA-N 1 0 321.852 3.063 10 0 DGAERO COc1ccc(C[C@@H](C)C[NH+]2CCC([C@@H](C)O)CC2)cc1F ZINC000185245012 432482187 /nfs/dbraw/zinc/48/21/87/432482187.db2.gz HTGLPUSBZIQQSI-ZIAGYGMSSA-N 1 0 309.425 3.106 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193590722 432483227 /nfs/dbraw/zinc/48/32/27/432483227.db2.gz NBWIOENNGLPBKH-HNNXBMFYSA-N 1 0 315.461 3.230 10 0 DGAERO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000175980413 432484282 /nfs/dbraw/zinc/48/42/82/432484282.db2.gz LBGBVUCZODJZJP-CVEARBPZSA-N 1 0 317.477 3.228 10 0 DGAERO CC(C)CCC[C@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185281699 432486489 /nfs/dbraw/zinc/48/64/89/432486489.db2.gz DZVKXOSKODRBBW-HNNXBMFYSA-N 1 0 323.456 3.362 10 0 DGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1C[C@H]1C(C)C ZINC000185284111 432486533 /nfs/dbraw/zinc/48/65/33/432486533.db2.gz VBJDWHHDOTWLCT-ROUUACIJSA-N 1 0 302.462 3.389 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000176016438 432487037 /nfs/dbraw/zinc/48/70/37/432487037.db2.gz PJBKYYDIJMJIDK-HZPDHXFCSA-N 1 0 321.509 3.471 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](Cn2cncn2)C1 ZINC000185303299 432487263 /nfs/dbraw/zinc/48/72/63/432487263.db2.gz USZYKZCKWRTORZ-INIZCTEOSA-N 1 0 321.428 3.360 10 0 DGAERO CC(C)(C)Oc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000176034059 432488105 /nfs/dbraw/zinc/48/81/05/432488105.db2.gz MWKIMEOOZNFUAA-UHFFFAOYSA-N 1 0 316.445 3.174 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(F)ccc2Cl)CC[N@@H+]1C ZINC000176064025 432489988 /nfs/dbraw/zinc/48/99/88/432489988.db2.gz QZXLTVCWCNEMAZ-ZYHUDNBSSA-N 1 0 313.804 3.426 10 0 DGAERO Cc1ccccc1SCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154299553 432490028 /nfs/dbraw/zinc/49/00/28/432490028.db2.gz ZVPBEDVHFBVQRF-HOTGVXAUSA-N 1 0 318.486 3.030 10 0 DGAERO COCCOC[C@H]1CCN(c2c(C)c[nH+]c3c(C)cccc32)C1 ZINC000185328849 432490616 /nfs/dbraw/zinc/49/06/16/432490616.db2.gz SCNNKMCFWLDZJY-INIZCTEOSA-N 1 0 314.429 3.341 10 0 DGAERO [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000262566365 432491109 /nfs/dbraw/zinc/49/11/09/432491109.db2.gz DGQMBOMTVKWZLS-GVDBMIGSSA-N 1 0 314.816 3.260 10 0 DGAERO C[C@H](NCc1nnc(C2CC2)n1C)c1ccc2c(c1)CCCC2 ZINC000154324274 432491776 /nfs/dbraw/zinc/49/17/76/432491776.db2.gz RKFSNMGHCNYPEV-ZDUSSCGKSA-N 1 0 310.445 3.422 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000185341042 432492266 /nfs/dbraw/zinc/49/22/66/432492266.db2.gz MWGNHVCSCPEXDC-CYBMUJFWSA-N 1 0 306.381 3.320 10 0 DGAERO Cc1cccc2c(NCC3(CS(C)(=O)=O)CC3)c(C)c[nH+]c12 ZINC000185339695 432492921 /nfs/dbraw/zinc/49/29/21/432492921.db2.gz ZPLQDATUGVETRV-UHFFFAOYSA-N 1 0 318.442 3.088 10 0 DGAERO CSCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176119507 432494511 /nfs/dbraw/zinc/49/45/11/432494511.db2.gz IXEVFRVZJAUTTG-RDJZCZTQSA-N 1 0 320.502 3.299 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176136691 432495846 /nfs/dbraw/zinc/49/58/46/432495846.db2.gz JKBGSUSVKLFLIQ-AWEZNQCLSA-N 1 0 324.494 3.112 10 0 DGAERO COc1ccc2nc(C[N@H+](C)[C@@H](CO)CC(C)C)sc2c1 ZINC000185373132 432496643 /nfs/dbraw/zinc/49/66/43/432496643.db2.gz HZHWAYROCOVBHR-GFCCVEGCSA-N 1 0 308.447 3.144 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000262717088 432498875 /nfs/dbraw/zinc/49/88/75/432498875.db2.gz WDCHANACQOAXMG-DYVFJYSZSA-N 1 0 323.506 3.490 10 0 DGAERO CC(C)Cn1ccnc1CNC(=O)N(CC1CCC1)C(C)C ZINC000193798859 432499194 /nfs/dbraw/zinc/49/91/94/432499194.db2.gz AAGIDEYPAOMVEC-UHFFFAOYSA-N 1 0 306.454 3.259 10 0 DGAERO C[NH+](C)C1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000193807189 432499475 /nfs/dbraw/zinc/49/94/75/432499475.db2.gz NXGUDOFLANYQLG-UHFFFAOYSA-N 1 0 317.260 3.398 10 0 DGAERO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cccc(OCc2ccccc2)c1 ZINC000262734445 432499848 /nfs/dbraw/zinc/49/98/48/432499848.db2.gz CDMQGWIFAVPERG-JKSUJKDBSA-N 1 0 324.424 3.088 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000262715723 432499929 /nfs/dbraw/zinc/49/99/29/432499929.db2.gz VFRSFSNXSWBBSH-KSSFIOAISA-N 1 0 321.465 3.029 10 0 DGAERO CCc1ccc(C(C)(C)C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000176339868 432512956 /nfs/dbraw/zinc/51/29/56/432512956.db2.gz PVABXTCFMNAKDU-UHFFFAOYSA-N 1 0 302.462 3.079 10 0 DGAERO C[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1cc2ccccc2o1 ZINC000176213153 432501795 /nfs/dbraw/zinc/50/17/95/432501795.db2.gz KOOONHKQRWXZBB-CQSZACIVSA-N 1 0 312.413 3.233 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176207143 432501870 /nfs/dbraw/zinc/50/18/70/432501870.db2.gz ZSHDKIHAJWICNF-ZIAGYGMSSA-N 1 0 324.494 3.110 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2ncsc2c1 ZINC000176295942 432508076 /nfs/dbraw/zinc/50/80/76/432508076.db2.gz GZGFSKFVNYNQGT-ZDUSSCGKSA-N 1 0 318.446 3.244 10 0 DGAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154591174 432508282 /nfs/dbraw/zinc/50/82/82/432508282.db2.gz IAGHBKOKLPXAHZ-WFASDCNBSA-N 1 0 316.474 3.258 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000185577245 432511348 /nfs/dbraw/zinc/51/13/48/432511348.db2.gz ZZBCGEKHDXPEMS-AWEZNQCLSA-N 1 0 300.402 3.155 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)[C@@H](C)c1ccccc1 ZINC000185057309 432459923 /nfs/dbraw/zinc/45/99/23/432459923.db2.gz IBUXYCYOCQCSIA-ZIAGYGMSSA-N 1 0 310.401 3.357 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1)C(C)C ZINC000153971490 432460396 /nfs/dbraw/zinc/46/03/96/432460396.db2.gz PXQOKALOJLWHIA-YJBOKZPZSA-N 1 0 318.461 3.214 10 0 DGAERO Cn1cc(-c2cc(C[NH2+][C@@H](c3ccccc3)C3CC3)on2)cn1 ZINC000185056790 432460803 /nfs/dbraw/zinc/46/08/03/432460803.db2.gz NWHRQBNOPDWNGM-SFHVURJKSA-N 1 0 308.385 3.316 10 0 DGAERO c1ccc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)ccc2c1 ZINC000261995598 432468584 /nfs/dbraw/zinc/46/85/84/432468584.db2.gz UAOSPGKHRKNMHH-AQNXPRMDSA-N 1 0 310.441 3.087 10 0 DGAERO Fc1cccc(Cl)c1C[C@@H]1CCCN1C[C@H]1CCC[NH2+]C1 ZINC000262033387 432469623 /nfs/dbraw/zinc/46/96/23/432469623.db2.gz XKFZPPRTPRTVPE-KBPBESRZSA-N 1 0 310.844 3.486 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC000155401505 432552201 /nfs/dbraw/zinc/55/22/01/432552201.db2.gz QRSZBSXGNSGAOP-BEFAXECRSA-N 1 0 310.441 3.227 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3cc(F)ccc3o2)C1 ZINC000155423388 432553455 /nfs/dbraw/zinc/55/34/55/432553455.db2.gz BKFNUWNVFATABI-RISCZKNCSA-N 1 0 304.365 3.030 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC000155424100 432553990 /nfs/dbraw/zinc/55/39/90/432553990.db2.gz GETNPVYNCCENGX-DDIQYJBLSA-N 1 0 300.446 3.325 10 0 DGAERO CCO[C@@H](C[NH2+]Cc1cnc2nc(C)cc(C)n12)c1ccccc1 ZINC000194471237 432554271 /nfs/dbraw/zinc/55/42/71/432554271.db2.gz KUXXFOVFPIKSOX-SFHVURJKSA-N 1 0 324.428 3.214 10 0 DGAERO C[C@@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@H]1C ZINC000176815244 432555350 /nfs/dbraw/zinc/55/53/50/432555350.db2.gz ZYKVRTXYRHSMBG-KGLIPLIRSA-N 1 0 321.440 3.217 10 0 DGAERO CN(Cc1ccc(F)cc1Cl)C(=O)CCC1CC[NH2+]CC1 ZINC000155538768 432561100 /nfs/dbraw/zinc/56/11/00/432561100.db2.gz CIQOJBOHDLKGPZ-UHFFFAOYSA-N 1 0 312.816 3.217 10 0 DGAERO CCn1c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)nc2cc(F)ccc21 ZINC000155562571 432561240 /nfs/dbraw/zinc/56/12/40/432561240.db2.gz WHLYBOMRZVZAPR-CXAGYDPISA-N 1 0 317.408 3.196 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000176334574 432513754 /nfs/dbraw/zinc/51/37/54/432513754.db2.gz GGMNKXNFDDJVBW-HNNXBMFYSA-N 1 0 300.406 3.116 10 0 DGAERO CN1CCC[C@H]1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000193995011 432515623 /nfs/dbraw/zinc/51/56/23/432515623.db2.gz JNXRKABYFOIKAI-BCLQGDPASA-N 1 0 323.278 3.379 10 0 DGAERO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000263057510 432517628 /nfs/dbraw/zinc/51/76/28/432517628.db2.gz VAVJMVHKEIVHGS-AZUAARDMSA-N 1 0 323.440 3.272 10 0 DGAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000263057519 432517638 /nfs/dbraw/zinc/51/76/38/432517638.db2.gz VAVJMVHKEIVHGS-UYAOXDASSA-N 1 0 323.440 3.272 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C)C12CCOCC2 ZINC000185661997 432520598 /nfs/dbraw/zinc/52/05/98/432520598.db2.gz HYGDLGNYMARLJI-IAGOWNOFSA-N 1 0 307.409 3.198 10 0 DGAERO Cc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)cc1F ZINC000176497681 432529575 /nfs/dbraw/zinc/52/95/75/432529575.db2.gz OFNVEIQZUIUYJO-YHWZYXNKSA-N 1 0 308.372 3.018 10 0 DGAERO CCc1cnccc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000154953913 432530431 /nfs/dbraw/zinc/53/04/31/432530431.db2.gz IBOFXZVRKWOTGL-HZPDHXFCSA-N 1 0 317.477 3.132 10 0 DGAERO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000185753224 432530651 /nfs/dbraw/zinc/53/06/51/432530651.db2.gz AXZSREMPISWHCA-LSDHHAIUSA-N 1 0 314.433 3.300 10 0 DGAERO Cc1[nH]c2ccc(CNC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])cc2c1C ZINC000263296041 432531342 /nfs/dbraw/zinc/53/13/42/432531342.db2.gz WIFSPMREFAIPJG-LPHOPBHVSA-N 1 0 313.445 3.309 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194193460 432531631 /nfs/dbraw/zinc/53/16/31/432531631.db2.gz MMXGFEQVQKJGHB-WMZOPIPTSA-N 1 0 317.477 3.100 10 0 DGAERO Cc1cccc2[nH]cc(CCNC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])c21 ZINC000263315471 432533049 /nfs/dbraw/zinc/53/30/49/432533049.db2.gz ZJFNRLBTPFGHES-HNAYVOBHSA-N 1 0 313.445 3.043 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c(C)nn(C)c1C ZINC000155028794 432534778 /nfs/dbraw/zinc/53/47/78/432534778.db2.gz ASZPTIMLOJMELV-QGZVFWFLSA-N 1 0 313.445 3.253 10 0 DGAERO CCc1cccc(CC)c1NC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000194319274 432541502 /nfs/dbraw/zinc/54/15/02/432541502.db2.gz HKMMRVJKWFFVQS-INIZCTEOSA-N 1 0 303.450 3.417 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000194634735 432564909 /nfs/dbraw/zinc/56/49/09/432564909.db2.gz MIURGBVOBBHGCA-OAHLLOKOSA-N 1 0 316.376 3.300 10 0 DGAERO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3cn4cccnc4n3)C2)cc1 ZINC000155275680 432548084 /nfs/dbraw/zinc/54/80/84/432548084.db2.gz QEMJSHMACGANJI-HOCLYGCPSA-N 1 0 322.412 3.116 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000156871495 432609818 /nfs/dbraw/zinc/60/98/18/432609818.db2.gz UEFCWMWXECSOLZ-HUUCEWRRSA-N 1 0 321.440 3.178 10 0 DGAERO Cc1ccc(C[C@H](C)[N@H+](C)Cc2cc(=O)n3ccccc3n2)cc1 ZINC000156869080 432610746 /nfs/dbraw/zinc/61/07/46/432610746.db2.gz UHEYUZBAVAWRGN-INIZCTEOSA-N 1 0 321.424 3.066 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000177321315 432612361 /nfs/dbraw/zinc/61/23/61/432612361.db2.gz DNJJVNQOZYNYSP-ROUUACIJSA-N 1 0 315.461 3.263 10 0 DGAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000195236634 432613555 /nfs/dbraw/zinc/61/35/55/432613555.db2.gz FOGHIZPVVCHDHZ-GUDVDZBRSA-N 1 0 305.462 3.165 10 0 DGAERO CCc1nnc(C[N@@H+](CC)C[C@@H](CC)c2ccccc2)n1C ZINC000186611061 432613806 /nfs/dbraw/zinc/61/38/06/432613806.db2.gz YYIPHKLNSAEVMD-OAHLLOKOSA-N 1 0 300.450 3.393 10 0 DGAERO Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c(Cl)cc1F ZINC000177348358 432613814 /nfs/dbraw/zinc/61/38/14/432613814.db2.gz GFSSHNBMTANOEZ-UHFFFAOYSA-N 1 0 310.800 3.098 10 0 DGAERO O=C(Cc1ccc(-c2ccccc2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195314648 432616700 /nfs/dbraw/zinc/61/67/00/432616700.db2.gz UYWSZUKUEHREDE-HXUWFJFHSA-N 1 0 320.436 3.203 10 0 DGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@]2(C)CCCc3ccccc32)c1 ZINC000176933033 432566919 /nfs/dbraw/zinc/56/69/19/432566919.db2.gz OWTONDWVTHPCML-HXUWFJFHSA-N 1 0 323.440 3.376 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C12CCOCC2 ZINC000186199203 432568646 /nfs/dbraw/zinc/56/86/46/432568646.db2.gz UQFWQZRHMBLWGW-IAGOWNOFSA-N 1 0 323.864 3.446 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1COc1ccccc1 ZINC000194709896 432570128 /nfs/dbraw/zinc/57/01/28/432570128.db2.gz OAZILATYOYVDQU-KRWDZBQOSA-N 1 0 324.424 3.090 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000176963163 432571219 /nfs/dbraw/zinc/57/12/19/432571219.db2.gz OUHHPACFUFISBM-HHNLSAEISA-N 1 0 323.440 3.191 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2ccccc2Cl)[C@@H](C)C1 ZINC000155811831 432574665 /nfs/dbraw/zinc/57/46/65/432574665.db2.gz QRGXJCGEFSYKBJ-BBRMVZONSA-N 1 0 308.853 3.118 10 0 DGAERO CCc1ccc(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000177012774 432575505 /nfs/dbraw/zinc/57/55/05/432575505.db2.gz JLLJUVYJPCCJII-QAPCUYQASA-N 1 0 316.489 3.468 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C12CCOCC2 ZINC000186267870 432575777 /nfs/dbraw/zinc/57/57/77/432575777.db2.gz NPPIONUWAXYCCO-ROUUACIJSA-N 1 0 315.413 3.497 10 0 DGAERO CC[NH+](CC)CCN(CCOC)Cc1ccc2ccccc2n1 ZINC000177368577 432617120 /nfs/dbraw/zinc/61/71/20/432617120.db2.gz HYXKUCFVSKASCA-UHFFFAOYSA-N 1 0 315.461 3.025 10 0 DGAERO CC(C)c1csc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000194798656 432576929 /nfs/dbraw/zinc/57/69/29/432576929.db2.gz IDCHLPGSFNMPKC-GFCCVEGCSA-N 1 0 310.467 3.262 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C12CCOCC2 ZINC000186286141 432577126 /nfs/dbraw/zinc/57/71/26/432577126.db2.gz YDKHWTYYNKJLEK-MOPGFXCFSA-N 1 0 315.457 3.239 10 0 DGAERO CC(C)(C)[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2F)CC1 ZINC000194821661 432577811 /nfs/dbraw/zinc/57/78/11/432577811.db2.gz ROEASHQOGBCMEO-UHFFFAOYSA-N 1 0 320.452 3.482 10 0 DGAERO CCC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1cccnc1 ZINC000186293122 432579431 /nfs/dbraw/zinc/57/94/31/432579431.db2.gz DLHIMTPOFIBUEV-JKSUJKDBSA-N 1 0 313.449 3.242 10 0 DGAERO COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccnc1N(C)C ZINC000194849372 432581359 /nfs/dbraw/zinc/58/13/59/432581359.db2.gz HZNIDZUNFLJJMI-QGZVFWFLSA-N 1 0 311.429 3.323 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000282307952 288371154 /nfs/dbraw/zinc/37/11/54/288371154.db2.gz DINPEBOCBRQDAY-VCTAVGKDSA-N 1 0 310.235 3.451 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186345126 432585280 /nfs/dbraw/zinc/58/52/80/432585280.db2.gz TZPLEGVAPXYSKZ-KRWDZBQOSA-N 1 0 318.461 3.248 10 0 DGAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000177087408 432585422 /nfs/dbraw/zinc/58/54/22/432585422.db2.gz QXSPPLQEEFAEEG-CABCVRRESA-N 1 0 303.450 3.015 10 0 DGAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCOC[C@@H]2C)cc1 ZINC000194948540 432589755 /nfs/dbraw/zinc/58/97/55/432589755.db2.gz NVKVDTLGOPNSPD-YOEHRIQHSA-N 1 0 304.434 3.140 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cccc2OC)[C@H](C)C1 ZINC000194985923 432592328 /nfs/dbraw/zinc/59/23/28/432592328.db2.gz ZXJINFKRSNLJOT-CABCVRRESA-N 1 0 319.449 3.198 10 0 DGAERO COc1cccc(C)c1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000195008929 432592509 /nfs/dbraw/zinc/59/25/09/432592509.db2.gz FQBJBNPYQVQRQA-HNNXBMFYSA-N 1 0 317.433 3.096 10 0 DGAERO Cn1c2ccc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2sc1=O ZINC000195022942 432594072 /nfs/dbraw/zinc/59/40/72/432594072.db2.gz FUZCJYVYWUVXLT-OKILXGFUSA-N 1 0 302.443 3.222 10 0 DGAERO CCn1c(C)nnc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000195041396 432596899 /nfs/dbraw/zinc/59/68/99/432596899.db2.gz WQOUBSMYLXCDCW-UHFFFAOYSA-N 1 0 300.381 3.035 10 0 DGAERO CC[C@H](C)NC(=O)CC[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000156587370 432600092 /nfs/dbraw/zinc/60/00/92/432600092.db2.gz WPBIUQKTNBEETP-DOTOQJQBSA-N 1 0 320.477 3.157 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)CCCc1ccccc1 ZINC000186665154 432619385 /nfs/dbraw/zinc/61/93/85/432619385.db2.gz DWGSEEWLCFITLH-DOTOQJQBSA-N 1 0 302.462 3.150 10 0 DGAERO O=C(N1CCC([NH+]2CCCC2)CC1)C1(Cc2ccccc2)CC1 ZINC000177427202 432623404 /nfs/dbraw/zinc/62/34/04/432623404.db2.gz CPYWHGJOUZRRSY-UHFFFAOYSA-N 1 0 312.457 3.096 10 0 DGAERO COc1ccc(OCCC[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000157592610 432625617 /nfs/dbraw/zinc/62/56/17/432625617.db2.gz NVFWGDVXIJXIFH-UHFFFAOYSA-N 1 0 320.458 3.404 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000177461748 432626379 /nfs/dbraw/zinc/62/63/79/432626379.db2.gz KMGKJPLNELZYIA-QZJSNOFBSA-N 1 0 304.409 3.218 10 0 DGAERO CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177475873 432628534 /nfs/dbraw/zinc/62/85/34/432628534.db2.gz JHBUQOLXHCNWOW-QZTJIDSGSA-N 1 0 317.477 3.133 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cc2nc3cc(F)ccc3o2)s1 ZINC000157759208 432628905 /nfs/dbraw/zinc/62/89/05/432628905.db2.gz KADGPLDKRTWKGY-UHFFFAOYSA-N 1 0 305.378 3.406 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(F)c1 ZINC000177502239 432630122 /nfs/dbraw/zinc/63/01/22/432630122.db2.gz VGMJLLRNIXPTMV-CHWSQXEVSA-N 1 0 309.360 3.055 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)cc(C)c1 ZINC000177502911 432631100 /nfs/dbraw/zinc/63/11/00/432631100.db2.gz ONSAGCCGHANTFD-IAGOWNOFSA-N 1 0 301.434 3.394 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1c(C)cccc1C ZINC000177508704 432631723 /nfs/dbraw/zinc/63/17/23/432631723.db2.gz KOLXLBIBVKXGSI-HZPDHXFCSA-N 1 0 301.434 3.394 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1C ZINC000177511094 432632000 /nfs/dbraw/zinc/63/20/00/432632000.db2.gz KPZXXXHEBGYBCF-LSDHHAIUSA-N 1 0 305.397 3.225 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000195660558 432632126 /nfs/dbraw/zinc/63/21/26/432632126.db2.gz OAJVWVVZQBTFSZ-CHWSQXEVSA-N 1 0 306.372 3.052 10 0 DGAERO CCc1ccccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000177510790 432632450 /nfs/dbraw/zinc/63/24/50/432632450.db2.gz ZYJVUYQRIMEIDS-HOTGVXAUSA-N 1 0 301.434 3.340 10 0 DGAERO CCOC(C)(C)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000186892249 432635390 /nfs/dbraw/zinc/63/53/90/432635390.db2.gz NAQPURCRTFTWOI-CQSZACIVSA-N 1 0 314.470 3.038 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C(C)(F)F)c2)C1 ZINC000186967500 432639973 /nfs/dbraw/zinc/63/99/73/432639973.db2.gz WINRQOSGCFLFJB-CQSZACIVSA-N 1 0 311.376 3.404 10 0 DGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCSCC(C)C)[C@H]2C1 ZINC000158220978 432640957 /nfs/dbraw/zinc/64/09/57/432640957.db2.gz KJGPCRXCWVKYCX-OWCLPIDISA-N 1 0 301.496 3.034 10 0 DGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC000177606939 432641103 /nfs/dbraw/zinc/64/11/03/432641103.db2.gz CNLSCMLNSBZFNK-UONOGXRCSA-N 1 0 306.425 3.092 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc4ccccc4o3)[C@@H]2C1 ZINC000158267758 432641421 /nfs/dbraw/zinc/64/14/21/432641421.db2.gz LSOBWHOXWRCJTE-KYJSFNMBSA-N 1 0 301.386 3.201 10 0 DGAERO COc1cc(C)nc(C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000214095054 432641715 /nfs/dbraw/zinc/64/17/15/432641715.db2.gz ZHSMDARJECZTHL-UHFFFAOYSA-N 1 0 321.218 3.451 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccccc2OCc2ccccc2)C1 ZINC000215204730 432643804 /nfs/dbraw/zinc/64/38/04/432643804.db2.gz NGOJQPWLTFPHFY-HOTGVXAUSA-N 1 0 310.397 3.332 10 0 DGAERO COC(=O)c1ccccc1CC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000187124137 432646105 /nfs/dbraw/zinc/64/61/05/432646105.db2.gz USRCILFZBHXMNE-UHFFFAOYSA-N 1 0 318.804 3.196 10 0 DGAERO Cc1[nH+]c2c(Cl)cccc2c(N2CCC(C(N)=O)CC2)c1C ZINC000290559872 282006565 /nfs/dbraw/zinc/00/65/65/282006565.db2.gz RPAPYXXMFACORJ-UHFFFAOYSA-N 1 0 317.820 3.207 10 0 DGAERO C[C@@H](Cc1ccccc1F)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000158535115 432649216 /nfs/dbraw/zinc/64/92/16/432649216.db2.gz NSPJRWDYDLCEMN-HNNXBMFYSA-N 1 0 318.436 3.091 10 0 DGAERO [NH3+]CC1(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000216437261 432651417 /nfs/dbraw/zinc/65/14/17/432651417.db2.gz GLYVPMFWCBSHPO-NWDGAFQWSA-N 1 0 306.372 3.133 10 0 DGAERO Cc1csc([C@H]2CCC[N@@H+]([C@@H]3CCCN(C(C)C)C3=O)C2)n1 ZINC000177697362 432652043 /nfs/dbraw/zinc/65/20/43/432652043.db2.gz RCXHJVQQESHRET-LSDHHAIUSA-N 1 0 321.490 3.030 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(C)cc1Cl ZINC000177702761 432652556 /nfs/dbraw/zinc/65/25/56/432652556.db2.gz ZHQRSSKYTCIUBW-AWEZNQCLSA-N 1 0 323.868 3.003 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCS2 ZINC000187228694 432652718 /nfs/dbraw/zinc/65/27/18/432652718.db2.gz XBNCSGOYDMELIN-ZFWWWQNUSA-N 1 0 304.459 3.051 10 0 DGAERO CCc1cnccc1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187260812 432653530 /nfs/dbraw/zinc/65/35/30/432653530.db2.gz KHFNVHHXKQFKGP-KDOFPFPSSA-N 1 0 311.429 3.065 10 0 DGAERO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217844964 432657332 /nfs/dbraw/zinc/65/73/32/432657332.db2.gz BZYFNQHCNSTUOI-CQSZACIVSA-N 1 0 318.230 3.475 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC000159000753 432666502 /nfs/dbraw/zinc/66/65/02/432666502.db2.gz CAXVWNHICFJRHY-XUJQIHCRSA-N 1 0 314.473 3.417 10 0 DGAERO CCc1ccc(NC(=O)NC[C@H](c2ccco2)N(C)C)cc1F ZINC000158999302 432667136 /nfs/dbraw/zinc/66/71/36/432667136.db2.gz YTXZWCFFBKFWPG-OAHLLOKOSA-N 1 0 319.380 3.406 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3cccs3)o2)C1 ZINC000187937332 432694424 /nfs/dbraw/zinc/69/44/24/432694424.db2.gz CMIMTHRQKOPGAS-LRDDRELGSA-N 1 0 306.431 3.386 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]CC1=CCCOC1 ZINC000178165795 432701414 /nfs/dbraw/zinc/70/14/14/432701414.db2.gz JYURQGSIPIIXIR-UHFFFAOYSA-N 1 0 312.454 3.006 10 0 DGAERO Cc1nc(CC(C)C)c(NC(=O)N2CCC([NH+](C)C)CC2)s1 ZINC000178177854 432702812 /nfs/dbraw/zinc/70/28/12/432702812.db2.gz CWVWGCNGOBQIAX-UHFFFAOYSA-N 1 0 324.494 3.208 10 0 DGAERO C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000188077598 432703340 /nfs/dbraw/zinc/70/33/40/432703340.db2.gz LMTVQKXUQFSSAA-NXEZZACHSA-N 1 0 318.314 3.009 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CCC(=O)N1CCCCC1)CCCO2 ZINC000178200642 432706058 /nfs/dbraw/zinc/70/60/58/432706058.db2.gz RNSWBQPXCWPKAM-QGZVFWFLSA-N 1 0 316.445 3.201 10 0 DGAERO COc1ccc(Br)cc1C[NH2+]C(C)(C)C(C)(C)O ZINC000227346711 432712040 /nfs/dbraw/zinc/71/20/40/432712040.db2.gz MTEGXUJBOPRWHF-UHFFFAOYSA-N 1 0 316.239 3.097 10 0 DGAERO Fc1ccc([C@H]([NH2+]CCCc2ccccn2)c2ncc[nH]2)cc1 ZINC000188250796 432714046 /nfs/dbraw/zinc/71/40/46/432714046.db2.gz CVLXKCFPBBWQKS-KRWDZBQOSA-N 1 0 310.376 3.256 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cncc(F)c1 ZINC000228579101 432719690 /nfs/dbraw/zinc/71/96/90/432719690.db2.gz OMLPLVMQYGOCAR-OLZOCXBDSA-N 1 0 323.412 3.128 10 0 DGAERO COc1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1Br ZINC000229883886 432723202 /nfs/dbraw/zinc/72/32/02/432723202.db2.gz RDZGTKQPICHSOC-SECBINFHSA-N 1 0 310.195 3.032 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188444718 432725040 /nfs/dbraw/zinc/72/50/40/432725040.db2.gz PLKHFDPHTAMXQC-CWRNSKLLSA-N 1 0 302.466 3.089 10 0 DGAERO Cc1nc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000221965108 432670144 /nfs/dbraw/zinc/67/01/44/432670144.db2.gz QFHIBSBLWDOXRT-MNOVXSKESA-N 1 0 313.467 3.405 10 0 DGAERO CC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cccs1 ZINC000159097712 432670319 /nfs/dbraw/zinc/67/03/19/432670319.db2.gz OHNPVLORJJRPPQ-HZPDHXFCSA-N 1 0 316.470 3.488 10 0 DGAERO FCCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000177909202 432670891 /nfs/dbraw/zinc/67/08/91/432670891.db2.gz JYDFZEOEGLDTBF-UHFFFAOYSA-N 1 0 316.214 3.404 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@H]2CCCOC2)nnn1-c1ccc(Cl)cc1 ZINC000177931395 432675504 /nfs/dbraw/zinc/67/55/04/432675504.db2.gz HDNJEKJTIPFYIX-FZMZJTMJSA-N 1 0 320.824 3.059 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@H](c1ccccc1OC)N1CCCCC1 ZINC000187689992 432675872 /nfs/dbraw/zinc/67/58/72/432675872.db2.gz UJRWLDMIMFCSKH-SJLPKXTDSA-N 1 0 320.477 3.094 10 0 DGAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CC2CCCCC2)CC1 ZINC000187668036 432677010 /nfs/dbraw/zinc/67/70/10/432677010.db2.gz BTXXSJJXZFIYSL-UHFFFAOYSA-N 1 0 324.509 3.305 10 0 DGAERO O=C(NCC[NH2+][C@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000178020082 432684789 /nfs/dbraw/zinc/68/47/89/432684789.db2.gz FXGYDFIISCGBSA-LJQANCHMSA-N 1 0 308.425 3.027 10 0 DGAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C(C)C)c1 ZINC000178578484 432753669 /nfs/dbraw/zinc/75/36/69/432753669.db2.gz VOBYJUMNHTZULM-KGLIPLIRSA-N 1 0 322.449 3.303 10 0 DGAERO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000236656958 432754420 /nfs/dbraw/zinc/75/44/20/432754420.db2.gz ZCDANNUPJQVEQE-KBPBESRZSA-N 1 0 323.506 3.346 10 0 DGAERO CC(C)[C@H](C)C[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178579951 432754562 /nfs/dbraw/zinc/75/45/62/432754562.db2.gz HOOHBUINDPZIPJ-HUUCEWRRSA-N 1 0 324.490 3.169 10 0 DGAERO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178579923 432754614 /nfs/dbraw/zinc/75/46/14/432754614.db2.gz HOOHBUINDPZIPJ-CABCVRRESA-N 1 0 324.490 3.169 10 0 DGAERO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2cscn2)CC1 ZINC000275850466 432755795 /nfs/dbraw/zinc/75/57/95/432755795.db2.gz WVNGRNGJZHVDPT-QGZVFWFLSA-N 1 0 316.474 3.025 10 0 DGAERO c1nc2ccccc2n1-c1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000236714882 432759672 /nfs/dbraw/zinc/75/96/72/432759672.db2.gz MKUSMSXQJOTWEC-INIZCTEOSA-N 1 0 307.397 3.294 10 0 DGAERO CC(C)(C(=O)NCC[NH2+]C1CCCCCC1)c1cccs1 ZINC000236708382 432759968 /nfs/dbraw/zinc/75/99/68/432759968.db2.gz DNXNGBOURISAMU-UHFFFAOYSA-N 1 0 308.491 3.454 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CCCCC1 ZINC000189053394 432760203 /nfs/dbraw/zinc/76/02/03/432760203.db2.gz GMOVTOOILAVDFV-KDOFPFPSSA-N 1 0 318.436 3.485 10 0 DGAERO Cc1ccc2cc(C[NH2+]Cc3cccnc3N(C)C)ccc2n1 ZINC000189251493 432773242 /nfs/dbraw/zinc/77/32/42/432773242.db2.gz VWISPYJGNWWDRY-UHFFFAOYSA-N 1 0 306.413 3.294 10 0 DGAERO CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000459033609 288573958 /nfs/dbraw/zinc/57/39/58/288573958.db2.gz CEZGFEKNLGKRBO-OFQRWUPVSA-N 1 0 321.465 3.275 10 0 DGAERO Brc1ccc2c(c1)CC[C@H]([NH2+]CC[C@H]1CCOC1)C2 ZINC000230410387 432728223 /nfs/dbraw/zinc/72/82/23/432728223.db2.gz FTNNBKKLFFNJTA-LRDDRELGSA-N 1 0 324.262 3.323 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccccc1OC)CC2 ZINC000178445025 432737884 /nfs/dbraw/zinc/73/78/84/432737884.db2.gz RLHGBXKJQJWJKH-ROUUACIJSA-N 1 0 313.397 3.014 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1ccc(OC)cc1 ZINC000178445597 432738517 /nfs/dbraw/zinc/73/85/17/432738517.db2.gz JGEKYDQBZVHROI-QZTJIDSGSA-N 1 0 315.413 3.478 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000235345484 432742358 /nfs/dbraw/zinc/74/23/58/432742358.db2.gz SGMFXFYHEPNAGD-UFBFGSQYSA-N 1 0 304.615 3.370 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000188763925 432743343 /nfs/dbraw/zinc/74/33/43/432743343.db2.gz GVKFUTZCPKRFAC-OLZOCXBDSA-N 1 0 314.385 3.273 10 0 DGAERO C[C@H]([NH2+]CCC1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178509066 432745036 /nfs/dbraw/zinc/74/50/36/432745036.db2.gz UNVVBMBLHJFOIN-ZDUSSCGKSA-N 1 0 310.463 3.289 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000245419394 432828655 /nfs/dbraw/zinc/82/86/55/432828655.db2.gz LTGXUIGBBGSWBM-SJLPKXTDSA-N 1 0 317.477 3.133 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000245423749 432829856 /nfs/dbraw/zinc/82/98/56/432829856.db2.gz BQIWJDZJECCYTN-IJEWVQPXSA-N 1 0 322.399 3.011 10 0 DGAERO CCOc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000245438257 432830265 /nfs/dbraw/zinc/83/02/65/432830265.db2.gz XQRJGBYFIBWXJR-GJZGRUSLSA-N 1 0 317.433 3.176 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)cc(C)c1 ZINC000245432653 432830568 /nfs/dbraw/zinc/83/05/68/432830568.db2.gz ONSAGCCGHANTFD-IRXDYDNUSA-N 1 0 301.434 3.394 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000245454602 432833528 /nfs/dbraw/zinc/83/35/28/432833528.db2.gz ABGQBLPRJIDDDQ-GDBMZVCRSA-N 1 0 314.433 3.214 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000245477160 432835102 /nfs/dbraw/zinc/83/51/02/432835102.db2.gz UFXVYYKFOUZSAA-SJORKVTESA-N 1 0 317.477 3.047 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245470475 432836009 /nfs/dbraw/zinc/83/60/09/432836009.db2.gz MXQYRSQBNOSXFQ-NBOOPKSLSA-N 1 0 317.477 3.303 10 0 DGAERO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCCCc4ccccc43)C2)cn1 ZINC000245473816 432836298 /nfs/dbraw/zinc/83/62/98/432836298.db2.gz QGBFKUUWUJUQDM-PXNSSMCTSA-N 1 0 324.472 3.446 10 0 DGAERO CCCC[C@H](C[NH3+])NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000162904599 432838154 /nfs/dbraw/zinc/83/81/54/432838154.db2.gz SEITXNKDZRFBKU-CQSZACIVSA-N 1 0 304.365 3.333 10 0 DGAERO CCCN(C(=O)c1ccc(-c2ccc(F)cc2)o1)[C@H]1CC[NH2+]C1 ZINC000178924230 432787742 /nfs/dbraw/zinc/78/77/42/432787742.db2.gz IYYKJWGDGQMAPM-HNNXBMFYSA-N 1 0 316.376 3.300 10 0 DGAERO CCC[C@@H](C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+](C)C ZINC000161705541 432792937 /nfs/dbraw/zinc/79/29/37/432792937.db2.gz OUJFHTCPHURCJJ-NSHDSACASA-N 1 0 304.221 3.244 10 0 DGAERO CCC[C@H](C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+](C)C ZINC000161705667 432793765 /nfs/dbraw/zinc/79/37/65/432793765.db2.gz OUJFHTCPHURCJJ-LLVKDONJSA-N 1 0 304.221 3.244 10 0 DGAERO COc1ccccc1N1CCC([NH2+]C2CC(OC(C)C)C2)CC1 ZINC000189527355 432796702 /nfs/dbraw/zinc/79/67/02/432796702.db2.gz VTZZSCVWROYJPY-UHFFFAOYSA-N 1 0 318.461 3.210 10 0 DGAERO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000179013458 432797105 /nfs/dbraw/zinc/79/71/05/432797105.db2.gz GOZZPQWGOQUGGI-RTBURBONSA-N 1 0 323.440 3.240 10 0 DGAERO CC[N@@H+](Cc1cc(F)cc2cccnc21)C[C@H](O)C(F)(F)F ZINC000189539628 432797453 /nfs/dbraw/zinc/79/74/53/432797453.db2.gz ZZAGTPARMUXKDP-ZDUSSCGKSA-N 1 0 316.298 3.119 10 0 DGAERO CCOc1cc2c(cc1OCC)C[N@H+](C[C@@H](C)COC)CC2 ZINC000189584583 432802531 /nfs/dbraw/zinc/80/25/31/432802531.db2.gz DKXMEXHGTPFPEV-CQSZACIVSA-N 1 0 307.434 3.125 10 0 DGAERO C[N@H+](CCCCO)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000276379964 432802900 /nfs/dbraw/zinc/80/29/00/432802900.db2.gz LGKNYVYFMLLTEK-UHFFFAOYSA-N 1 0 319.232 3.026 10 0 DGAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccccc1Cc1ccccc1 ZINC000237878885 432802967 /nfs/dbraw/zinc/80/29/67/432802967.db2.gz GQHSNCBDNRJLCG-GOSISDBHSA-N 1 0 322.452 3.397 10 0 DGAERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1Cl)[NH+](C)C ZINC000161898691 432803703 /nfs/dbraw/zinc/80/37/03/432803703.db2.gz DUABPZDRSYFFBA-IINYFYTJSA-N 1 0 300.805 3.387 10 0 DGAERO CC[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1nccs1 ZINC000161910488 432804446 /nfs/dbraw/zinc/80/44/46/432804446.db2.gz GYQMXYQLJWYJON-CQSZACIVSA-N 1 0 323.506 3.469 10 0 DGAERO Cc1cccc(C2(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCCC2)c1 ZINC000237930252 432804535 /nfs/dbraw/zinc/80/45/35/432804535.db2.gz SRSMIRZFJAHFSI-FUHWJXTLSA-N 1 0 314.473 3.441 10 0 DGAERO C[C@H](c1cccc(F)c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189669347 432808817 /nfs/dbraw/zinc/80/88/17/432808817.db2.gz KJSQFIBBNSANKK-CYBMUJFWSA-N 1 0 314.408 3.309 10 0 DGAERO CCC[C@H](C(=O)N1CCC(COc2ccccc2)CC1)[NH+](C)C ZINC000162019107 432809450 /nfs/dbraw/zinc/80/94/50/432809450.db2.gz HEGYZROHZJVXRU-GOSISDBHSA-N 1 0 318.461 3.034 10 0 DGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000189686219 432810515 /nfs/dbraw/zinc/81/05/15/432810515.db2.gz FSBXXRAOKIIFHE-LORHWOILSA-N 1 0 300.446 3.083 10 0 DGAERO O=C(NCc1ccc2ccccc2c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238072490 432811876 /nfs/dbraw/zinc/81/18/76/432811876.db2.gz DGRGETJHUMAURZ-FHWLQOOXSA-N 1 0 308.425 3.377 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000245513648 432839025 /nfs/dbraw/zinc/83/90/25/432839025.db2.gz AOTXSWLPWCISPJ-LMMKCTJWSA-N 1 0 316.489 3.362 10 0 DGAERO COc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000245743015 432860131 /nfs/dbraw/zinc/86/01/31/432860131.db2.gz FHPINSBBXNEEND-HIFRSBDPSA-N 1 0 313.850 3.055 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000245746993 432860568 /nfs/dbraw/zinc/86/05/68/432860568.db2.gz MZTHOLOMDSJABE-MAUKXSAKSA-N 1 0 312.461 3.300 10 0 DGAERO C[C@H](CCCc1ccccc1)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000245849312 432865471 /nfs/dbraw/zinc/86/54/71/432865471.db2.gz MAFILONMYQTUSJ-ZACQAIPSSA-N 1 0 302.462 3.196 10 0 DGAERO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)[C@H]2CCCO[C@H]21 ZINC000245841723 432865616 /nfs/dbraw/zinc/86/56/16/432865616.db2.gz DOKZCEZLKBZALX-FVQBIDKESA-N 1 0 322.836 3.072 10 0 DGAERO CCC1(CC)[C@H]([NH2+][C@H](C)Cc2c(C)nn(C)c2C)C[C@H]1OC ZINC000245865244 432866371 /nfs/dbraw/zinc/86/63/71/432866371.db2.gz IKUSTFYNAALZBM-CSMYWGQOSA-N 1 0 307.482 3.151 10 0 DGAERO c1ccc(OCC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245876943 432867302 /nfs/dbraw/zinc/86/73/02/432867302.db2.gz MTUYHSJCKPAPGV-DOTOQJQBSA-N 1 0 307.459 3.052 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000245889772 432867954 /nfs/dbraw/zinc/86/79/54/432867954.db2.gz RNONDLOUUVPMQJ-WMLDXEAASA-N 1 0 309.837 3.476 10 0 DGAERO C[C@H](Cc1ccccc1Cl)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000245937867 432871614 /nfs/dbraw/zinc/87/16/14/432871614.db2.gz SEGBWGJAXGKZJU-MCIONIFRSA-N 1 0 308.853 3.070 10 0 DGAERO CN(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc(F)c1 ZINC000245936596 432871854 /nfs/dbraw/zinc/87/18/54/432871854.db2.gz UBCMGPKEKLWBGC-MLHJIOFPSA-N 1 0 320.452 3.222 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(-c2cccs2)on1 ZINC000245955275 432872873 /nfs/dbraw/zinc/87/28/73/432872873.db2.gz CNYVFGYULHYFKK-CABCVRRESA-N 1 0 317.458 3.462 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)ccc2F)[C@@H](C)C1 ZINC000245989299 432874056 /nfs/dbraw/zinc/87/40/56/432874056.db2.gz IAEUYIUAIJOMTM-BBRMVZONSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(Cl)cc1 ZINC000245527376 432840397 /nfs/dbraw/zinc/84/03/97/432840397.db2.gz CYOPRFOWIOYWBQ-PBHICJAKSA-N 1 0 320.864 3.215 10 0 DGAERO CCCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245555825 432844744 /nfs/dbraw/zinc/84/47/44/432844744.db2.gz IQIBRQRKKOQFIU-GOEBONIOSA-N 1 0 319.449 3.422 10 0 DGAERO CCO[C@@H](C)c1nc(CN(C)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC000245572656 432846158 /nfs/dbraw/zinc/84/61/58/432846158.db2.gz GYWNFRKRDYRZKS-DZGCQCFKSA-N 1 0 311.495 3.157 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1cnn(C)c1 ZINC000245592438 432847233 /nfs/dbraw/zinc/84/72/33/432847233.db2.gz LTIXGINTCXFIPX-VUCTXSBTSA-N 1 0 318.852 3.170 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H]1CC1CCCCC1)CS(C)(=O)=O ZINC000163270848 432847287 /nfs/dbraw/zinc/84/72/87/432847287.db2.gz IQGFOGVYQIWXLV-GDBMZVCRSA-N 1 0 301.496 3.102 10 0 DGAERO CCN1CC[C@@H]([NH2+]Cc2cc[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245619092 432849958 /nfs/dbraw/zinc/84/99/58/432849958.db2.gz WEPLMBNWNAHIJG-HZPDHXFCSA-N 1 0 322.815 3.127 10 0 DGAERO Cc1cc(C)c(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000245621410 432850295 /nfs/dbraw/zinc/85/02/95/432850295.db2.gz WTKOYXUXLBUCNG-DLBZAZTESA-N 1 0 302.462 3.095 10 0 DGAERO Cc1nccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000245617707 432850554 /nfs/dbraw/zinc/85/05/54/432850554.db2.gz MJBKCTLKIRHEOJ-ZBFHGGJFSA-N 1 0 302.809 3.296 10 0 DGAERO CCCN(CCC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245614695 432850710 /nfs/dbraw/zinc/85/07/10/432850710.db2.gz COLWLOZYRJPNEW-IRXDYDNUSA-N 1 0 303.450 3.263 10 0 DGAERO C[C@H](CCCc1ccccc1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245636637 432851480 /nfs/dbraw/zinc/85/14/80/432851480.db2.gz CEMUECHZWLMEOX-ZHALLVOQSA-N 1 0 314.473 3.341 10 0 DGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245635466 432851955 /nfs/dbraw/zinc/85/19/55/432851955.db2.gz BTYCOMLAFFKUJN-DOTOQJQBSA-N 1 0 318.461 3.179 10 0 DGAERO CCCc1cnc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000245631908 432852092 /nfs/dbraw/zinc/85/20/92/432852092.db2.gz UUSFSTPIPXMJBN-RYUDHWBXSA-N 1 0 310.467 3.042 10 0 DGAERO Cc1cc(C(=O)NCC[NH+]2CCC(C)CC2)c(Cl)cc1F ZINC000163453716 432853919 /nfs/dbraw/zinc/85/39/19/432853919.db2.gz RIOZNPDWHDSFPS-UHFFFAOYSA-N 1 0 312.816 3.249 10 0 DGAERO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000245666767 432854032 /nfs/dbraw/zinc/85/40/32/432854032.db2.gz BNJSSRQVPXSRJT-CRAIPNDOSA-N 1 0 310.422 3.386 10 0 DGAERO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@H]1CC=CCC1 ZINC000245684588 432855668 /nfs/dbraw/zinc/85/56/68/432855668.db2.gz AGNOBEOXEOXWPB-DLBZAZTESA-N 1 0 320.502 3.410 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000245681228 432856198 /nfs/dbraw/zinc/85/61/98/432856198.db2.gz MOISGEJYZISNIB-IRXDYDNUSA-N 1 0 306.356 3.401 10 0 DGAERO O[C@H](C[C@@H]1CCC[N@@H+]1[C@H]1CCCC[C@H]1O)c1ccc(F)cc1 ZINC000245689951 432856751 /nfs/dbraw/zinc/85/67/51/432856751.db2.gz VUWOZZNWRQLYFE-WNRNVDISSA-N 1 0 307.409 3.017 10 0 DGAERO CCC[C@@H]1C[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000245706238 432858456 /nfs/dbraw/zinc/85/84/56/432858456.db2.gz MMFPWGSKWMZJIC-RCCFBDPRSA-N 1 0 318.461 3.001 10 0 DGAERO CCCCOc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000245729468 432859385 /nfs/dbraw/zinc/85/93/85/432859385.db2.gz JJUXNBFDIPIGGT-KRWDZBQOSA-N 1 0 318.461 3.154 10 0 DGAERO C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CCCCN1C1CC1 ZINC000341387733 433044844 /nfs/dbraw/zinc/04/48/44/433044844.db2.gz YTKBYIPMZMKPSL-DWRORGKVSA-N 1 0 306.494 3.188 10 0 DGAERO Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H]1CCCCC1(C)C)CCC2 ZINC000332687379 433013303 /nfs/dbraw/zinc/01/33/03/433013303.db2.gz OSDPIAKBTLUHOO-CABCVRRESA-N 1 0 318.465 3.337 10 0 DGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3csc4ccccc34)C[C@H]12 ZINC000333116831 433033412 /nfs/dbraw/zinc/03/34/12/433033412.db2.gz FYNSDNOMQAXEPM-KGYLQXTDSA-N 1 0 301.415 3.102 10 0 DGAERO O=C(Nc1ccc2[nH]ccc2c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333170944 433036283 /nfs/dbraw/zinc/03/62/83/433036283.db2.gz PTQINSUHYCHWQM-INIZCTEOSA-N 1 0 312.417 3.164 10 0 DGAERO Cc1ccc2cccc(NC(=O)N(C)[C@H]3CCC[NH2+]CC3)c2n1 ZINC000333200667 433039274 /nfs/dbraw/zinc/03/92/74/433039274.db2.gz XQQCBISIKVSHFT-HNNXBMFYSA-N 1 0 312.417 3.149 10 0 DGAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nc(C4CCCCC4)ns3)C[C@H]21 ZINC000333246720 433043664 /nfs/dbraw/zinc/04/36/64/433043664.db2.gz FXBBBGDBDOYBDY-BFHYXJOUSA-N 1 0 306.479 3.149 10 0 DGAERO CC(C)Sc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1 ZINC000155547829 292709642 /nfs/dbraw/zinc/70/96/42/292709642.db2.gz FHJQNJJVXXMKLF-ZIAGYGMSSA-N 1 0 306.475 3.352 10 0 DGAERO C[C@H](C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1)C1C[NH2+]C1 ZINC000262060120 289269118 /nfs/dbraw/zinc/26/91/18/289269118.db2.gz IJIHESDCYOOFFS-UGSOOPFHSA-N 1 0 311.429 3.077 10 0 DGAERO C[NH+](C)CCc1ccccc1NC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000446589190 433066401 /nfs/dbraw/zinc/06/64/01/433066401.db2.gz HRLNRALZJXGPKE-IAGOWNOFSA-N 1 0 315.461 3.445 10 0 DGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000333550210 433067829 /nfs/dbraw/zinc/06/78/29/433067829.db2.gz KDJNJEXPBXIERP-OWLYRPNTSA-N 1 0 315.461 3.092 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)C1 ZINC000170830267 289382934 /nfs/dbraw/zinc/38/29/34/289382934.db2.gz FCIOXCQVPWZASU-HOTGVXAUSA-N 1 0 303.450 3.119 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)[C@H](C)O ZINC000453331327 433095064 /nfs/dbraw/zinc/09/50/64/433095064.db2.gz TXHCRVDZMNCNOB-DUFXMDAXSA-N 1 0 302.340 3.227 10 0 DGAERO CC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC12CCCCC2 ZINC000361348328 433123494 /nfs/dbraw/zinc/12/34/94/433123494.db2.gz JMNBYQKZYQHLCS-RTBURBONSA-N 1 0 312.457 3.410 10 0 DGAERO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000157315179 292743561 /nfs/dbraw/zinc/74/35/61/292743561.db2.gz KYDKGBHUMFKTAL-GFCCVEGCSA-N 1 0 313.353 3.053 10 0 DGAERO C=Cn1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2ccnc2)cn1 ZINC000290576020 433102126 /nfs/dbraw/zinc/10/21/26/433102126.db2.gz UEVXQERKYKAZLH-MOPGFXCFSA-N 1 0 319.412 3.199 10 0 DGAERO CCO[C@H](C[NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000446837367 433116621 /nfs/dbraw/zinc/11/66/21/433116621.db2.gz ZHPHQFFREWOIIR-LJQANCHMSA-N 1 0 322.412 3.135 10 0 DGAERO CCSCC[NH2+]Cc1cc(OC)ccc1Br ZINC000336659384 433172581 /nfs/dbraw/zinc/17/25/81/433172581.db2.gz NBUCYIQVRUBSPD-UHFFFAOYSA-N 1 0 304.253 3.300 10 0 DGAERO CC[N@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCOC1 ZINC000336684121 433177323 /nfs/dbraw/zinc/17/73/23/433177323.db2.gz FMZZUYRDDQKBJX-ZDUSSCGKSA-N 1 0 302.187 3.199 10 0 DGAERO CC(C)[C@@H](SCC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000157718371 292751241 /nfs/dbraw/zinc/75/12/41/292751241.db2.gz VEWUUJBDFGFXDK-GOEBONIOSA-N 1 0 308.491 3.183 10 0 DGAERO C[C@H](CC[NH2+]Cc1csc(Cl)c1Cl)[S@@](C)=O ZINC000336740073 433190035 /nfs/dbraw/zinc/19/00/35/433190035.db2.gz LYZHYFQFNLDDRK-VGDKGRGNSA-N 1 0 300.276 3.302 10 0 DGAERO CS[C@H]1CC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000425364461 433199726 /nfs/dbraw/zinc/19/97/26/433199726.db2.gz XHULPWQGVVDXDN-STQMWFEESA-N 1 0 316.264 3.312 10 0 DGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(Br)o1 ZINC000350728169 433268630 /nfs/dbraw/zinc/26/86/30/433268630.db2.gz GQTFZMVNMQCVGZ-NWDGAFQWSA-N 1 0 313.239 3.101 10 0 DGAERO COCC[C@H](c1ccccc1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000361523915 433226593 /nfs/dbraw/zinc/22/65/93/433226593.db2.gz HHSJASZAYIMXOI-IEBWSBKVSA-N 1 0 319.445 3.034 10 0 DGAERO CCOc1cccc(CC[NH2+][C@H](C)c2cc(C(=O)OC)co2)c1 ZINC000447575741 433230368 /nfs/dbraw/zinc/23/03/68/433230368.db2.gz UWJXGWUHJCALAG-CYBMUJFWSA-N 1 0 317.385 3.358 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](CC[C@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443428 433232867 /nfs/dbraw/zinc/23/28/67/433232867.db2.gz OIUJFHYTLYJHDD-SJLPKXTDSA-N 1 0 317.477 3.358 10 0 DGAERO CCN(CC(=O)OC)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000361546206 433233781 /nfs/dbraw/zinc/23/37/81/433233781.db2.gz AFNCWLDNDAGXAY-UHFFFAOYSA-N 1 0 309.312 3.220 10 0 DGAERO c1cc(CN2CCOC[C@H]2CC2CCC2)n(-c2ccccc2)n1 ZINC000354727562 433237120 /nfs/dbraw/zinc/23/71/20/433237120.db2.gz GENJQHWFTDAPAT-LJQANCHMSA-N 1 0 311.429 3.263 10 0 DGAERO c1cn(-c2ccccc2)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)n1 ZINC000361548196 433241202 /nfs/dbraw/zinc/24/12/02/433241202.db2.gz IPEXEEYFUQNWCX-LJQANCHMSA-N 1 0 311.429 3.265 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+]3CCSC[C@@H]3C3CC3)cn2)nc1 ZINC000425491570 433264541 /nfs/dbraw/zinc/26/45/41/433264541.db2.gz MHNMMZCUDZQTRC-GOSISDBHSA-N 1 0 311.454 3.471 10 0 DGAERO c1cnn(CC[NH2+][C@@H](COCc2ccccc2)c2ccccc2)c1 ZINC000341852976 433316399 /nfs/dbraw/zinc/31/63/99/433316399.db2.gz LLCMJPHTCAYGTR-FQEVSTJZSA-N 1 0 321.424 3.431 10 0 DGAERO O[C@@H]1[C@@H](C[NH2+][C@H]2CCCc3sccc32)CCC12CCOCC2 ZINC000374749869 433271450 /nfs/dbraw/zinc/27/14/50/433271450.db2.gz JTIITASVNHGLQU-UKPHBRMFSA-N 1 0 321.486 3.283 10 0 DGAERO CC(=O)c1ccc(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)cc1 ZINC000351048466 433353147 /nfs/dbraw/zinc/35/31/47/433353147.db2.gz NYMPRTLNCKEPDH-UHFFFAOYSA-N 1 0 318.336 3.178 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC[S@@](=O)c1ccccc1 ZINC000361719618 433357137 /nfs/dbraw/zinc/35/71/37/433357137.db2.gz DNVAYCDHYIZNHH-OYHNWAKOSA-N 1 0 317.454 3.063 10 0 DGAERO CCc1nc(C)c(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)s1 ZINC000448076685 433360211 /nfs/dbraw/zinc/36/02/11/433360211.db2.gz IKXFOWMLFMQBQC-LBPRGKRZSA-N 1 0 324.494 3.256 10 0 DGAERO c1[nH+]cn2ccc(-c3noc(CSCc4ccccn4)n3)cc12 ZINC000351089788 433371122 /nfs/dbraw/zinc/37/11/22/433371122.db2.gz OMOBJGASZMJURL-UHFFFAOYSA-N 1 0 323.381 3.213 10 0 DGAERO C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000172194052 289868361 /nfs/dbraw/zinc/86/83/61/289868361.db2.gz SBKLVWAMBQDLEX-YOEHRIQHSA-N 1 0 303.450 3.167 10 0 DGAERO Clc1ccccc1O[C@@H]1CCCN(Cc2ncccn2)C1 ZINC000361861180 433426007 /nfs/dbraw/zinc/42/60/07/433426007.db2.gz WTKXGPNQAORMCW-CYBMUJFWSA-N 1 0 303.793 3.173 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2nc(C)cs2)C[C@H]1C ZINC000361775564 433386281 /nfs/dbraw/zinc/38/62/81/433386281.db2.gz WXSVEWCPQRPIRQ-RDBSUJKOSA-N 1 0 324.494 3.027 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)Cn1cncn1 ZINC000342071297 433449806 /nfs/dbraw/zinc/44/98/06/433449806.db2.gz SQQLDOUHBYPDPG-MVXISAMASA-N 1 0 324.350 3.379 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000361924911 433453469 /nfs/dbraw/zinc/45/34/69/433453469.db2.gz NPLBHDJSPUBIKE-OAHLLOKOSA-N 1 0 322.412 3.169 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(-n2ccnc2)cc1 ZINC000246809809 290011344 /nfs/dbraw/zinc/01/13/44/290011344.db2.gz ACJYZDPAHZMIEH-FZDIXFNVSA-N 1 0 311.429 3.481 10 0 DGAERO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000355100727 433459229 /nfs/dbraw/zinc/45/92/29/433459229.db2.gz BAUOYUSLFNPZPR-OCCSQVGLSA-N 1 0 303.431 3.139 10 0 DGAERO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000355100734 433459568 /nfs/dbraw/zinc/45/95/68/433459568.db2.gz BAUOYUSLFNPZPR-TZMCWYRMSA-N 1 0 303.431 3.139 10 0 DGAERO c1ccc(OCCC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375436170 433460157 /nfs/dbraw/zinc/46/01/57/433460157.db2.gz HTFOGKISMNJNFB-OAHLLOKOSA-N 1 0 313.401 3.205 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000355105451 433465079 /nfs/dbraw/zinc/46/50/79/433465079.db2.gz HXAGBWQPZPSNSU-CJNGLKHVSA-N 1 0 315.442 3.206 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCC3(CCC3)C2)[C@H]1c1ccccc1 ZINC000245688676 290134819 /nfs/dbraw/zinc/13/48/19/290134819.db2.gz WSOAGSLYHXSCGG-IAGOWNOFSA-N 1 0 313.445 3.017 10 0 DGAERO Brc1cccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000355114480 433471995 /nfs/dbraw/zinc/47/19/95/433471995.db2.gz PERKYAGUEQVGKI-ZFWWWQNUSA-N 1 0 310.235 3.450 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)C(=O)N(C)C ZINC000342120981 433479600 /nfs/dbraw/zinc/47/96/00/433479600.db2.gz AXZYOYVVPDROKL-NXIHDVOMSA-N 1 0 314.351 3.175 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000362070381 433514985 /nfs/dbraw/zinc/51/49/85/433514985.db2.gz XAVHNYMSXDGNAJ-KRWDZBQOSA-N 1 0 311.429 3.258 10 0 DGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(N(C)C)c1C ZINC000455069530 433531464 /nfs/dbraw/zinc/53/14/64/433531464.db2.gz HHMDHKKTUZNQMO-OAHLLOKOSA-N 1 0 318.465 3.009 10 0 DGAERO Brc1cccnc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000342197610 433534430 /nfs/dbraw/zinc/53/44/30/433534430.db2.gz FEZZOQCBDQYRSU-CYBMUJFWSA-N 1 0 324.266 3.299 10 0 DGAERO COc1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000362131228 433536552 /nfs/dbraw/zinc/53/65/52/433536552.db2.gz WGYSCWPZLGLKSN-MSOLQXFVSA-N 1 0 322.408 3.078 10 0 DGAERO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ncc[nH]1 ZINC000375839908 433588267 /nfs/dbraw/zinc/58/82/67/433588267.db2.gz NVHSLNUFJGGQIH-GZBFAFLISA-N 1 0 304.463 3.205 10 0 DGAERO C[C@@H]1CCOCCN1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000362232156 433593338 /nfs/dbraw/zinc/59/33/38/433593338.db2.gz AUNSYAZPPFERPG-SNVBAGLBSA-N 1 0 314.307 3.457 10 0 DGAERO C[C@H]1C[C@H](Nc2ccc(-c3ccc(F)cc3)nn2)C[N@@H+]1C1CC1 ZINC000301542729 433602779 /nfs/dbraw/zinc/60/27/79/433602779.db2.gz CUXJPLYTUFOGLJ-WFASDCNBSA-N 1 0 312.392 3.320 10 0 DGAERO Fc1nc(F)c(F)c(N[C@H]2CC[N@@H+](C3CCCC3)C2)c1F ZINC000301584010 433623327 /nfs/dbraw/zinc/62/33/27/433623327.db2.gz AOXNTRHQOWGPFJ-QMMMGPOBSA-N 1 0 303.303 3.067 10 0 DGAERO c1cn(-c2csc(C[NH2+]C[C@H]3COc4ccccc43)c2)cn1 ZINC000342424474 433680706 /nfs/dbraw/zinc/68/07/06/433680706.db2.gz WEGVGNIFBXSJLQ-ZDUSSCGKSA-N 1 0 311.410 3.200 10 0 DGAERO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)O1 ZINC000414517595 433684096 /nfs/dbraw/zinc/68/40/96/433684096.db2.gz QUMNQKLRAYSCAN-CKYFFXLPSA-N 1 0 316.214 3.491 10 0 DGAERO C[N@@H+](Cc1cccc2ccoc21)C[C@@H]1CCCN1c1cccnn1 ZINC000449028858 433687551 /nfs/dbraw/zinc/68/75/51/433687551.db2.gz PLXWECUTALUHHK-KRWDZBQOSA-N 1 0 322.412 3.324 10 0 DGAERO CO[C@@H](C[NH+]1CCC(c2nccc(C)n2)CC1)c1ccccc1 ZINC000367127870 293028505 /nfs/dbraw/zinc/02/85/05/293028505.db2.gz VXIQRZBGAAFEDI-SFHVURJKSA-N 1 0 311.429 3.352 10 0 DGAERO C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367247252 293043447 /nfs/dbraw/zinc/04/34/47/293043447.db2.gz SVPFKIFTXDNESG-RBSFLKMASA-N 1 0 315.523 3.064 10 0 DGAERO O=C(C[N@@H+]1CC[C@]2(C1)CCCOC2)Nc1cccc2ccccc21 ZINC000367447198 293074070 /nfs/dbraw/zinc/07/40/70/293074070.db2.gz JWBSUQSJVLMJEJ-FQEVSTJZSA-N 1 0 324.424 3.281 10 0 DGAERO COc1cc(C[N@@H+]2CCSC[C@@H]2CCO)cc2ccccc21 ZINC000449044229 433703681 /nfs/dbraw/zinc/70/36/81/433703681.db2.gz CLKWWUNWTCKQAB-INIZCTEOSA-N 1 0 317.454 3.148 10 0 DGAERO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc2c1OCCC2 ZINC000370540281 293177950 /nfs/dbraw/zinc/17/79/50/293177950.db2.gz YNBDJHKDUREPHK-UHFFFAOYSA-N 1 0 319.449 3.063 10 0 DGAERO c1cc2c(cc1C[N@@H+]1CCC[C@H]3COCC[C@H]31)OCCCCO2 ZINC000449049845 433705940 /nfs/dbraw/zinc/70/59/40/433705940.db2.gz SJMGSWDVAIORPK-DLBZAZTESA-N 1 0 317.429 3.239 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN2CCC[C@H](C)[C@H]2C[NH3+])s1 ZINC000262119085 293204084 /nfs/dbraw/zinc/20/40/84/293204084.db2.gz LTBWCPALOJVNDC-WCBMZHEXSA-N 1 0 307.385 3.030 10 0 DGAERO c1cc(C[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)ccn1 ZINC000371678674 293223192 /nfs/dbraw/zinc/22/31/92/293223192.db2.gz AXRNIDMNGOASOQ-GOSISDBHSA-N 1 0 322.456 3.141 10 0 DGAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000376285987 433709748 /nfs/dbraw/zinc/70/97/48/433709748.db2.gz QCYMSZYQFJDODU-FYQPLNBISA-N 1 0 314.473 3.029 10 0 DGAERO Cc1nccn1-c1ccc(C[NH2+]Cc2cnccc2C)cc1F ZINC000373381434 293267407 /nfs/dbraw/zinc/26/74/07/293267407.db2.gz BOUYOWQTXWGJSP-UHFFFAOYSA-N 1 0 310.376 3.313 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374101259 293351908 /nfs/dbraw/zinc/35/19/08/293351908.db2.gz XWFQXHFJLWOWOT-INIZCTEOSA-N 1 0 322.493 3.106 10 0 DGAERO c1c2ccccc2sc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000374267015 293374207 /nfs/dbraw/zinc/37/42/07/293374207.db2.gz CDFXXPCBCNCFJO-WMLDXEAASA-N 1 0 303.427 3.329 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC23CCOCC3)cc1OC ZINC000374336664 293386331 /nfs/dbraw/zinc/38/63/31/293386331.db2.gz HKDIXLXMPYKNJL-KDOFPFPSSA-N 1 0 319.445 3.184 10 0 DGAERO CC[C@H](C)[NH+]1CCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC000456534210 433715002 /nfs/dbraw/zinc/71/50/02/433715002.db2.gz SHPJPTGBLLPCGV-ZBZNSMLMSA-N 1 0 300.446 3.423 10 0 DGAERO COc1c(C)cnc(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1C ZINC000362441718 433714933 /nfs/dbraw/zinc/71/49/33/433714933.db2.gz TYNFKIDYQXJMDT-YJBOKZPZSA-N 1 0 306.450 3.342 10 0 DGAERO c1ccc(CCOCCC[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000362450128 433721962 /nfs/dbraw/zinc/72/19/62/433721962.db2.gz PSVFHKZQLHZWCY-RTBURBONSA-N 1 0 303.446 3.137 10 0 DGAERO c1csc(-c2nc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)co2)c1 ZINC000362446241 433718053 /nfs/dbraw/zinc/71/80/53/433718053.db2.gz HFYRAEHFKZDZMB-TZMCWYRMSA-N 1 0 304.415 3.404 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cncc(Br)c1 ZINC000301779680 433718731 /nfs/dbraw/zinc/71/87/31/433718731.db2.gz QZJARHXOSRVXFX-CQSZACIVSA-N 1 0 312.255 3.376 10 0 DGAERO C[NH+]1CCC(CC(=O)Nc2ccccc2OC(F)(F)F)CC1 ZINC000362548365 433750877 /nfs/dbraw/zinc/75/08/77/433750877.db2.gz SLTRWMJYRZBEKF-UHFFFAOYSA-N 1 0 316.323 3.256 10 0 DGAERO c1cnn(-c2cccc(C[N@H+]3CCOC[C@@H]3CC3CCC3)c2)c1 ZINC000339774169 433768833 /nfs/dbraw/zinc/76/88/33/433768833.db2.gz ARAHHSKQDXEYNM-IBGZPJMESA-N 1 0 311.429 3.263 10 0 DGAERO C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CCCC1 ZINC000357022224 433823630 /nfs/dbraw/zinc/82/36/30/433823630.db2.gz UKWRQJVMDZXBRD-HIFRSBDPSA-N 1 0 322.399 3.059 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CCC[C@@H](C)C1)CC2 ZINC000376627251 433790012 /nfs/dbraw/zinc/79/00/12/433790012.db2.gz NGBMQAJLEQHUMG-MCIONIFRSA-N 1 0 303.450 3.333 10 0 DGAERO CC(C)CN(Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC000362680674 433820972 /nfs/dbraw/zinc/82/09/72/433820972.db2.gz JZWDVOOMYDSRJQ-UHFFFAOYSA-N 1 0 302.462 3.403 10 0 DGAERO CC(C)CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)C1CC1 ZINC000377409155 433874369 /nfs/dbraw/zinc/87/43/69/433874369.db2.gz AWUFSJQPOCNHBK-FGTMMUONSA-N 1 0 309.494 3.359 10 0 DGAERO CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000377388840 433866333 /nfs/dbraw/zinc/86/63/33/433866333.db2.gz YXPYMZWCTZRLIP-AGUYFDCRSA-N 1 0 314.495 3.260 10 0 DGAERO c1ccc([C@@H]2CC[C@@H]([NH2+]CCCOC[C@H]3CCOC3)C2)cc1 ZINC000436244772 433914711 /nfs/dbraw/zinc/91/47/11/433914711.db2.gz DNDGDNXGPBHHOS-BHIYHBOVSA-N 1 0 303.446 3.356 10 0 DGAERO Cc1ccoc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000293906120 433916973 /nfs/dbraw/zinc/91/69/73/433916973.db2.gz ZVMIIORASKKHBI-ZIAGYGMSSA-N 1 0 308.422 3.323 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000377415531 433879776 /nfs/dbraw/zinc/87/97/76/433879776.db2.gz YODKIEPXRXXUEX-WBVHZDCISA-N 1 0 323.440 3.259 10 0 DGAERO c1ccc([C@H]2CCC[C@H]2[NH2+]CCCNCc2cccnc2)cc1 ZINC000414876307 433894992 /nfs/dbraw/zinc/89/49/92/433894992.db2.gz KMIPONCHDNXSAV-WOJBJXKFSA-N 1 0 309.457 3.487 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378227827 293765222 /nfs/dbraw/zinc/76/52/22/293765222.db2.gz MRSYXDSPGSLQEE-JKGDOXCYSA-N 1 0 316.420 3.220 10 0 DGAERO c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)C2)cc1 ZINC000436418693 433967837 /nfs/dbraw/zinc/96/78/37/433967837.db2.gz WNDTWUDXXCHUMV-FCGDIQPGSA-N 1 0 301.430 3.250 10 0 DGAERO OCCC1([NH2+]Cc2cc(Br)cs2)CCCC1 ZINC000285523195 433979394 /nfs/dbraw/zinc/97/93/94/433979394.db2.gz OMBZLEZGZHVGHO-UHFFFAOYSA-N 1 0 304.253 3.295 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+]Cc1cnc(-c3ccccc3)s1)CC2 ZINC000377776236 433987642 /nfs/dbraw/zinc/98/76/42/433987642.db2.gz JZQNNENJBLBBOP-CYBMUJFWSA-N 1 0 310.426 3.180 10 0 DGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000457103435 433988481 /nfs/dbraw/zinc/98/84/81/433988481.db2.gz AUKCJXPVHUMLQT-SQWLQELKSA-N 1 0 322.399 3.009 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000340258371 434020869 /nfs/dbraw/zinc/02/08/69/434020869.db2.gz NBGHBGJBIITUNU-SOLBZPMBSA-N 1 0 304.478 3.443 10 0 DGAERO O=C(NCCC1CC(F)(F)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000457161548 434023680 /nfs/dbraw/zinc/02/36/80/434023680.db2.gz RGNBMZVPBSGHNH-UHFFFAOYSA-N 1 0 322.399 3.448 10 0 DGAERO CC(C)n1cncc1C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C ZINC000397462005 293846396 /nfs/dbraw/zinc/84/63/96/293846396.db2.gz FCMHMFDOYTXNFX-UHFFFAOYSA-N 1 0 324.469 3.247 10 0 DGAERO COCCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400334096 293863562 /nfs/dbraw/zinc/86/35/62/293863562.db2.gz FNUPVDIUZNPKPD-CABCVRRESA-N 1 0 314.470 3.038 10 0 DGAERO CCc1cc(N[C@@H](c2nccn2C)c2ccc(OC)cc2)cc[nH+]1 ZINC000450232962 434042590 /nfs/dbraw/zinc/04/25/90/434042590.db2.gz MLZCJJGLBKQAIS-GOSISDBHSA-N 1 0 322.412 3.010 10 0 DGAERO c1c(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)nc2ccccn12 ZINC000377780722 433994961 /nfs/dbraw/zinc/99/49/61/433994961.db2.gz RTXKJEZSSOQYCM-MSOLQXFVSA-N 1 0 307.397 3.344 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C)c(C)c2O)CC1 ZINC000436530145 433996057 /nfs/dbraw/zinc/99/60/57/433996057.db2.gz DDENRHROWXBZLC-UHFFFAOYSA-N 1 0 318.461 3.203 10 0 DGAERO CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000451460849 293954037 /nfs/dbraw/zinc/95/40/37/293954037.db2.gz AGCHDRFWUAIMLO-CRAIPNDOSA-N 1 0 319.445 3.137 10 0 DGAERO CCn1nncc1C[NH2+]C(C)(C)c1ccc(OCC(C)C)cc1 ZINC000459402276 293972521 /nfs/dbraw/zinc/97/25/21/293972521.db2.gz YUUXJRFKQMLNAS-UHFFFAOYSA-N 1 0 316.449 3.358 10 0 DGAERO c1ccc(OCCOCC[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000357618514 434106074 /nfs/dbraw/zinc/10/60/74/434106074.db2.gz WTPJFJKQEMBIPK-UHFFFAOYSA-N 1 0 312.413 3.142 10 0 DGAERO CC(C)COC[C@H](O)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312764897 434118265 /nfs/dbraw/zinc/11/82/65/434118265.db2.gz RHDSXFJEXOMEBN-SNVBAGLBSA-N 1 0 312.262 3.178 10 0 DGAERO Cn1cnc(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)c1 ZINC000313269685 434125357 /nfs/dbraw/zinc/12/53/57/434125357.db2.gz ZTGRMRFSRJAKGX-UHFFFAOYSA-N 1 0 321.424 3.331 10 0 DGAERO Clc1ccc2oc([C@@H]3CCCN3C3CC[NH2+]CC3)nc2c1 ZINC000038042524 294110635 /nfs/dbraw/zinc/11/06/35/294110635.db2.gz XAPCSNGQLDTHFL-AWEZNQCLSA-N 1 0 305.809 3.370 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000501474786 294141517 /nfs/dbraw/zinc/14/15/17/294141517.db2.gz IPGQVMGFWJMOCC-NMIWIPSGSA-N 1 0 322.452 3.379 10 0 DGAERO Cn1c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)ccc1-c1ccccc1 ZINC000186504409 294147240 /nfs/dbraw/zinc/14/72/40/294147240.db2.gz PLESRCRCKPUKQH-MRXNPFEDSA-N 1 0 323.440 3.049 10 0 DGAERO OCC[N@H+](Cc1ccc(Br)c(F)c1)C1CCCC1 ZINC000505277904 294232628 /nfs/dbraw/zinc/23/26/28/294232628.db2.gz SJCZWUWRVBUNGJ-UHFFFAOYSA-N 1 0 316.214 3.325 10 0 DGAERO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000457368179 434128684 /nfs/dbraw/zinc/12/86/84/434128684.db2.gz GBOPIAOGXFYYEE-GDBMZVCRSA-N 1 0 316.351 3.474 10 0 DGAERO c1nnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000450360786 434129002 /nfs/dbraw/zinc/12/90/02/434129002.db2.gz AWSCWCWOICMCPL-QGZVFWFLSA-N 1 0 314.458 3.031 10 0 DGAERO COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000509668898 294360946 /nfs/dbraw/zinc/36/09/46/294360946.db2.gz FDSLTTWOIQYDRJ-QZTJIDSGSA-N 1 0 319.445 3.113 10 0 DGAERO COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000510652145 294388410 /nfs/dbraw/zinc/38/84/10/294388410.db2.gz OCOMGVFDPAGQQP-QZTJIDSGSA-N 1 0 305.418 3.251 10 0 DGAERO C([NH2+][C@@H]1CC[C@H]1C1CCC1)C1(N2CCOCC2)CCCCC1 ZINC000510669268 294389191 /nfs/dbraw/zinc/38/91/91/294389191.db2.gz UQCBDUCCZFIRFU-ZWKOTPCHSA-N 1 0 306.494 3.190 10 0 DGAERO COc1cccc([C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)N(C)C)c1 ZINC000510730518 294390695 /nfs/dbraw/zinc/39/06/95/294390695.db2.gz CPCLBTFPGGGBGE-QRVBRYPASA-N 1 0 302.462 3.466 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](CO)CC2CCCC2)c(OC)c1 ZINC000511038319 294399867 /nfs/dbraw/zinc/39/98/67/294399867.db2.gz PNMOULRHQHBPTJ-DZGCQCFKSA-N 1 0 307.434 3.296 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CCCOc3ccccc31)O2 ZINC000346133799 434136657 /nfs/dbraw/zinc/13/66/57/434136657.db2.gz PSMAFNIEFAJYBR-HOCLYGCPSA-N 1 0 311.381 3.330 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000378315544 434137873 /nfs/dbraw/zinc/13/78/73/434137873.db2.gz RRDNIWYWQNLSBD-GOSISDBHSA-N 1 0 322.456 3.109 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000378315601 434138273 /nfs/dbraw/zinc/13/82/73/434138273.db2.gz RRDNIWYWQNLSBD-SFHVURJKSA-N 1 0 322.456 3.109 10 0 DGAERO CCOc1cccc(CC[NH2+]Cc2c(OC)cccc2OC)c1 ZINC000512042845 294428091 /nfs/dbraw/zinc/42/80/91/294428091.db2.gz ZGZLMQDUVOJUDG-UHFFFAOYSA-N 1 0 315.413 3.435 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCOC4(CCCC4)C3)c2)cn1 ZINC000346167489 434162657 /nfs/dbraw/zinc/16/26/57/434162657.db2.gz KWAVALRLKOVFJY-UHFFFAOYSA-N 1 0 303.431 3.079 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC(=O)NCc1ccco1 ZINC000513019219 294458526 /nfs/dbraw/zinc/45/85/26/294458526.db2.gz AHIPKBIMLQOJCG-UKTHLTGXSA-N 1 0 318.804 3.242 10 0 DGAERO CC(=O)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000295091022 434191240 /nfs/dbraw/zinc/19/12/40/434191240.db2.gz SERGRFMXMCIHNE-MOPGFXCFSA-N 1 0 300.446 3.336 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCCC4(CCOCC4)C3)c2)cn1 ZINC000346213568 434205311 /nfs/dbraw/zinc/20/53/11/434205311.db2.gz XRQSAAFROZGEPB-UHFFFAOYSA-N 1 0 317.458 3.326 10 0 DGAERO c1cnn(CCCCC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000378501104 434206711 /nfs/dbraw/zinc/20/67/11/434206711.db2.gz MCHPUBAMOGVPAJ-OALUTQOASA-N 1 0 313.445 3.421 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000379198408 434254383 /nfs/dbraw/zinc/25/43/83/434254383.db2.gz XLWNHKSPVQFTTF-YTQUADARSA-N 1 0 302.462 3.198 10 0 DGAERO c1ccc(CN2CCCC[C@@H]2C[NH2+]C[C@H]2CCSC2)cc1 ZINC000379651955 434257474 /nfs/dbraw/zinc/25/74/74/434257474.db2.gz VMYSWFLREZQJLO-QZTJIDSGSA-N 1 0 304.503 3.384 10 0 DGAERO O=C1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)CCCN1 ZINC000380107449 434264427 /nfs/dbraw/zinc/26/44/27/434264427.db2.gz YULOVXVBNNTXJO-SFHVURJKSA-N 1 0 324.424 3.024 10 0 DGAERO C[C@H]1C[C@H]1[NH2+]Cc1c(F)ccc(I)c1F ZINC000380172705 434265135 /nfs/dbraw/zinc/26/51/35/434265135.db2.gz DUUYURMYRPIKOX-QUBYGPBYSA-N 1 0 323.124 3.067 10 0 DGAERO c1n[nH]cc1CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000353610444 434265773 /nfs/dbraw/zinc/26/57/73/434265773.db2.gz MQJPQBYDAGZFNP-GOSISDBHSA-N 1 0 311.429 3.335 10 0 DGAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000381738919 434274758 /nfs/dbraw/zinc/27/47/58/434274758.db2.gz OQGOZECIMFTYJH-RULNRJAQSA-N 1 0 304.217 3.121 10 0 DGAERO O[C@@H]1CCC[C@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000382005219 434275138 /nfs/dbraw/zinc/27/51/38/434275138.db2.gz SAYDQKBZWFZGFR-ZWKOTPCHSA-N 1 0 303.446 3.219 10 0 DGAERO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000450501512 434231949 /nfs/dbraw/zinc/23/19/49/434231949.db2.gz QBCUVCKDFJBPAI-YRNRMSPPSA-N 1 0 313.441 3.420 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@@H]1CCOC1)CCCC2 ZINC000358009356 434281361 /nfs/dbraw/zinc/28/13/61/434281361.db2.gz VNSUQMAUJRTCME-KSSFIOAISA-N 1 0 301.430 3.405 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000383268530 434284918 /nfs/dbraw/zinc/28/49/18/434284918.db2.gz MZRQIBSHUCFATE-LBPRGKRZSA-N 1 0 318.408 3.268 10 0 DGAERO C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CCC[C@H](O)C1 ZINC000383731674 434286017 /nfs/dbraw/zinc/28/60/17/434286017.db2.gz WWPACUCJFCKEQW-PWSUYJOCSA-N 1 0 318.280 3.494 10 0 DGAERO CC(C)c1nnc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000450598205 434289176 /nfs/dbraw/zinc/28/91/76/434289176.db2.gz JCKFXEPAHIFSCX-HIFRSBDPSA-N 1 0 320.506 3.110 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000385862562 434302857 /nfs/dbraw/zinc/30/28/57/434302857.db2.gz ZWDYBMSYMYYXQM-BXUZGUMPSA-N 1 0 308.472 3.464 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000295315868 434306007 /nfs/dbraw/zinc/30/60/07/434306007.db2.gz YRVVCMUPULBWBR-GIPNMCIBSA-N 1 0 314.223 3.113 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(F)ccc1Br ZINC000386293963 434306966 /nfs/dbraw/zinc/30/69/66/434306966.db2.gz QCAHUUXYRPNVRV-YGRLFVJLSA-N 1 0 316.214 3.181 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1F ZINC000386210569 434309261 /nfs/dbraw/zinc/30/92/61/434309261.db2.gz DIEIBADSJOVHHZ-IINYFYTJSA-N 1 0 316.214 3.181 10 0 DGAERO c1csc(-c2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752938 434313379 /nfs/dbraw/zinc/31/33/79/434313379.db2.gz CLJINYZNRNGBNE-HIFRSBDPSA-N 1 0 317.458 3.367 10 0 DGAERO C[C@@H]1CN([C@H]2CCc3ccc(Br)cc32)C[C@@]1(C)C[NH3+] ZINC000388269697 434329678 /nfs/dbraw/zinc/32/96/78/434329678.db2.gz MXKHGNKWEDGHIJ-XFBWCDHKSA-N 1 0 323.278 3.353 10 0 DGAERO c1cncc(CNCCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000423190645 434278102 /nfs/dbraw/zinc/27/81/02/434278102.db2.gz RGOAEKHGMBJXAY-QUCCMNQESA-N 1 0 324.472 3.272 10 0 DGAERO C(=C\[C@@H]1CCCCC[N@H+]1C[C@@H]1COCCO1)\c1cccs1 ZINC000450718360 434363147 /nfs/dbraw/zinc/36/31/47/434363147.db2.gz TVZHPQXQWAKJAQ-YVDRWBGASA-N 1 0 307.459 3.421 10 0 DGAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000450724920 434372785 /nfs/dbraw/zinc/37/27/85/434372785.db2.gz HMARPMQDPQFJEP-FUHWJXTLSA-N 1 0 317.454 3.270 10 0 DGAERO OCC[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000437955396 434373287 /nfs/dbraw/zinc/37/32/87/434373287.db2.gz QAJXCBJAOOIGCX-OTWHNJEPSA-N 1 0 303.446 3.090 10 0 DGAERO CC(C)CC[C@@H]([NH2+]Cc1nn(C)cc1Br)C1CC1 ZINC000393337269 434392147 /nfs/dbraw/zinc/39/21/47/434392147.db2.gz KHMXVOYEVSSZRQ-CYBMUJFWSA-N 1 0 314.271 3.487 10 0 DGAERO Cc1cc(C[NH2+]CCOc2ccc(Br)cc2)ccn1 ZINC000391189327 434382217 /nfs/dbraw/zinc/38/22/17/434382217.db2.gz NWXYLJFUZNOXLA-UHFFFAOYSA-N 1 0 321.218 3.321 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000358199171 434382905 /nfs/dbraw/zinc/38/29/05/434382905.db2.gz QZZNNNGLJSWOIN-SFHVURJKSA-N 1 0 313.445 3.089 10 0 DGAERO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC000295490508 434385999 /nfs/dbraw/zinc/38/59/99/434385999.db2.gz SPWBKLROZKPLHK-CYBMUJFWSA-N 1 0 310.463 3.403 10 0 DGAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000393323697 434390660 /nfs/dbraw/zinc/39/06/60/434390660.db2.gz TYJFIWOMJBBIFD-JFGNBEQYSA-N 1 0 300.244 3.097 10 0 DGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccsc1Br ZINC000388767963 434337213 /nfs/dbraw/zinc/33/72/13/434337213.db2.gz ZGMVXGCGERBGMQ-WDEREUQCSA-N 1 0 304.253 3.103 10 0 DGAERO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccsc1Br ZINC000388874291 434339463 /nfs/dbraw/zinc/33/94/63/434339463.db2.gz DDOCZUIOONDTCJ-JOYOIKCWSA-N 1 0 304.253 3.151 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)[C@H](C)O1 ZINC000295389207 434341699 /nfs/dbraw/zinc/34/16/99/434341699.db2.gz LBUHMYHLHNYRTE-VYDRJQSISA-N 1 0 302.462 3.053 10 0 DGAERO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCN1CC=C(C)CC1 ZINC000358130546 434343865 /nfs/dbraw/zinc/34/38/65/434343865.db2.gz FOFAGUCYISGJQJ-UHFFFAOYSA-N 1 0 324.472 3.231 10 0 DGAERO CC(=O)CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437839801 434346955 /nfs/dbraw/zinc/34/69/55/434346955.db2.gz NCHBJCOCJBPONV-QGZVFWFLSA-N 1 0 322.493 3.295 10 0 DGAERO CCN1CC[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000389177465 434348663 /nfs/dbraw/zinc/34/86/63/434348663.db2.gz PJNVHHGITFHXNN-SIWZUTFBSA-N 1 0 323.278 3.379 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000389848212 434350513 /nfs/dbraw/zinc/35/05/13/434350513.db2.gz RZMIZCFJIFQQBL-PRHODGIISA-N 1 0 302.205 3.113 10 0 DGAERO CCn1ccnc1CNC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397889607 434446780 /nfs/dbraw/zinc/44/67/80/434446780.db2.gz FNXIUIYGLIUJCN-IBGZPJMESA-N 1 0 312.461 3.047 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)c(SC)c1 ZINC000457908002 434393767 /nfs/dbraw/zinc/39/37/67/434393767.db2.gz XPUSOROJZBUIFY-CYBMUJFWSA-N 1 0 308.447 3.230 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000393910633 434399328 /nfs/dbraw/zinc/39/93/28/434399328.db2.gz BKBLWIQBYWDXGK-DKKFBQAASA-N 1 0 302.462 3.197 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCSC[C@H]2CCO)C1 ZINC000438107729 434409236 /nfs/dbraw/zinc/40/92/36/434409236.db2.gz WGGNNMRQNYFXPO-KURKYZTESA-N 1 0 305.487 3.297 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N1CCC(n2cncc2C)CC1 ZINC000366409823 434411727 /nfs/dbraw/zinc/41/17/27/434411727.db2.gz BCIAYXSVCUHJDB-CQSZACIVSA-N 1 0 319.449 3.141 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1sccc1Br ZINC000395156908 434413296 /nfs/dbraw/zinc/41/32/96/434413296.db2.gz GMQSHDZGIYNDST-MWLCHTKSSA-N 1 0 304.253 3.103 10 0 DGAERO Cc1ccc(N(C)[C@@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)cc1 ZINC000366474301 434424181 /nfs/dbraw/zinc/42/41/81/434424181.db2.gz WXYBOCJWWYGBQH-LJQANCHMSA-N 1 0 310.445 3.194 10 0 DGAERO Brc1cc2c(s1)CC[C@@H]2[NH2+]CC1=CCOCC1 ZINC000397765865 434442054 /nfs/dbraw/zinc/44/20/54/434442054.db2.gz YQNINOQHXJCYSV-NSHDSACASA-N 1 0 314.248 3.434 10 0 DGAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@H]2C1 ZINC000398706488 434464035 /nfs/dbraw/zinc/46/40/35/434464035.db2.gz BGLNRPUSPWYCDH-GZBFAFLISA-N 1 0 310.235 3.042 10 0 DGAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3csc(Br)c3)C[C@@H]2C1 ZINC000398795897 434465637 /nfs/dbraw/zinc/46/56/37/434465637.db2.gz RIPXTOOVUJBMGK-GRYCIOLGSA-N 1 0 316.264 3.103 10 0 DGAERO c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000360023379 434481116 /nfs/dbraw/zinc/48/11/16/434481116.db2.gz ZAVQCCQXBSYOII-FUHWJXTLSA-N 1 0 323.440 3.190 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400550447 434485407 /nfs/dbraw/zinc/48/54/07/434485407.db2.gz XHSRQIIKIYVRCS-SYQHCUMBSA-N 1 0 314.495 3.116 10 0 DGAERO CC(C)SCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400758074 434489436 /nfs/dbraw/zinc/48/94/36/434489436.db2.gz XMFQMOXSTXTFRL-KBPBESRZSA-N 1 0 316.511 3.363 10 0 DGAERO Brc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCC[NH2+]C1 ZINC000423563892 434489610 /nfs/dbraw/zinc/48/96/10/434489610.db2.gz RRBSMXICZHOOCC-HIFRSBDPSA-N 1 0 309.251 3.168 10 0 DGAERO CCSCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400726829 434489541 /nfs/dbraw/zinc/48/95/41/434489541.db2.gz PPDZKCHWDRPOFA-UONOGXRCSA-N 1 0 316.511 3.365 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400769774 434491316 /nfs/dbraw/zinc/49/13/16/434491316.db2.gz ZVOGNSYPKJOGIM-MELADBBJSA-N 1 0 314.495 3.117 10 0 DGAERO CC(=O)c1cccc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000450940069 434495606 /nfs/dbraw/zinc/49/56/06/434495606.db2.gz NEFFVOIYCAQYRF-OAQYLSRUSA-N 1 0 323.436 3.415 10 0 DGAERO Cc1cncc(CC[NH2+][C@@H](C)c2cccc(Br)c2)n1 ZINC000402808820 434504605 /nfs/dbraw/zinc/50/46/05/434504605.db2.gz ZWUZUNNRTLQOGY-LBPRGKRZSA-N 1 0 320.234 3.441 10 0 DGAERO C[C@@H]1C[C@H](Nc2ccnc3cccnc32)C[N@@H+]1Cc1ccccc1 ZINC000398093210 434455032 /nfs/dbraw/zinc/45/50/32/434455032.db2.gz WSGXDGZKWFDYRW-WBVHZDCISA-N 1 0 318.424 3.127 10 0 DGAERO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cccc(Cl)c1Cl ZINC000404183134 434506547 /nfs/dbraw/zinc/50/65/47/434506547.db2.gz DOCXWGVQGDSYNF-YGRLFVJLSA-N 1 0 304.217 3.186 10 0 DGAERO O[C@@]1(CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCOC1 ZINC000404203990 434508080 /nfs/dbraw/zinc/50/80/80/434508080.db2.gz SOLGRDNAEXKHLX-ZFWWWQNUSA-N 1 0 313.850 3.008 10 0 DGAERO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(Cl)cc1Cl ZINC000404221062 434510524 /nfs/dbraw/zinc/51/05/24/434510524.db2.gz UCPRZGDVFPUEIG-IINYFYTJSA-N 1 0 304.217 3.186 10 0 DGAERO Cc1cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)ccc1OCC[NH+](C)C ZINC000458195069 434522880 /nfs/dbraw/zinc/52/28/80/434522880.db2.gz KYGWCZJXJSHZKF-VQFNDLOPSA-N 1 0 316.445 3.310 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1Br ZINC000407253000 434528603 /nfs/dbraw/zinc/52/86/03/434528603.db2.gz GJECDHMBFPNZQN-ZIAGYGMSSA-N 1 0 323.234 3.227 10 0 DGAERO O=C(NCCCC1CC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000524562925 294979227 /nfs/dbraw/zinc/97/92/27/294979227.db2.gz QZBQZWFYGFLNFW-GOSISDBHSA-N 1 0 315.461 3.313 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000408186006 434549387 /nfs/dbraw/zinc/54/93/87/434549387.db2.gz OUABDQKNQGDZJI-PBHICJAKSA-N 1 0 324.428 3.382 10 0 DGAERO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC000438997344 434554134 /nfs/dbraw/zinc/55/41/34/434554134.db2.gz GQYUBSXWNQHTNS-JTQLQIEISA-N 1 0 319.430 3.269 10 0 DGAERO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)N(C)CC2CC2)cc1 ZINC000525638630 295023225 /nfs/dbraw/zinc/02/32/25/295023225.db2.gz VKXBLMMUWUYEOC-GOSISDBHSA-N 1 0 300.446 3.390 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000526000991 295049829 /nfs/dbraw/zinc/04/98/29/295049829.db2.gz BZMYKCCLMIHAFU-NVXWUHKLSA-N 1 0 321.440 3.055 10 0 DGAERO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H](O)CC(F)(F)F)c1 ZINC000526058488 295054489 /nfs/dbraw/zinc/05/44/89/295054489.db2.gz DMWLWLSDKGKUIW-KBPBESRZSA-N 1 0 317.351 3.015 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000526995356 295068803 /nfs/dbraw/zinc/06/88/03/295068803.db2.gz SNDHJDJUHPXGFH-KOMQPUFPSA-N 1 0 323.868 3.179 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000527355635 295093701 /nfs/dbraw/zinc/09/37/01/295093701.db2.gz WMSHUXXERLTYOC-BBRMVZONSA-N 1 0 308.853 3.434 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@H]1CCCO1 ZINC000527637043 295107536 /nfs/dbraw/zinc/10/75/36/295107536.db2.gz HEXORPTYUTZAAS-GZMMTYOYSA-N 1 0 320.177 3.384 10 0 DGAERO Brc1cnc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000527732567 295122174 /nfs/dbraw/zinc/12/21/74/295122174.db2.gz AVIWHTJSYLNDCN-KXUCPTDWSA-N 1 0 301.253 3.431 10 0 DGAERO c1onc(Cc2ccccc2)c1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527739659 295123627 /nfs/dbraw/zinc/12/36/27/295123627.db2.gz QGYTVZDKZVUWLN-INIZCTEOSA-N 1 0 300.402 3.172 10 0 DGAERO c1cn(-c2ccccc2)c(CNC[C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000527751252 295125251 /nfs/dbraw/zinc/12/52/51/295125251.db2.gz FWNCRIPYRJMLKD-LJQANCHMSA-N 1 0 324.472 3.369 10 0 DGAERO c1nn(-c2ccccc2)cc1CNC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751537 295125308 /nfs/dbraw/zinc/12/53/08/295125308.db2.gz IWIDSNWKLVBQMP-HXUWFJFHSA-N 1 0 324.472 3.369 10 0 DGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000527807344 295133923 /nfs/dbraw/zinc/13/39/23/295133923.db2.gz ZIKKPMGYLRKQEI-PUXPGTEJSA-N 1 0 314.223 3.056 10 0 DGAERO c1c[nH]c([C@@H](NC[C@H]2CC[N@@H+]2C2CCCC2)c2ccccc2)n1 ZINC000528004162 295164652 /nfs/dbraw/zinc/16/46/52/295164652.db2.gz VRUCQPFFJAMVGA-MSOLQXFVSA-N 1 0 310.445 3.106 10 0 DGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)cc1 ZINC000360328033 434577612 /nfs/dbraw/zinc/57/76/12/434577612.db2.gz CXPRADUKHBZVFT-QOIYZWAUSA-N 1 0 319.445 3.043 10 0 DGAERO Brc1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)nc1 ZINC000528211657 295187143 /nfs/dbraw/zinc/18/71/43/295187143.db2.gz SQDWYDQLJZKTBG-CYBMUJFWSA-N 1 0 310.239 3.273 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000261634640 295298890 /nfs/dbraw/zinc/29/88/90/295298890.db2.gz ICWYFTRCXYISHH-YWPUVAFDSA-N 1 0 306.372 3.131 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]CC1(C)OCCCO1)C(C)C ZINC000190641611 295363824 /nfs/dbraw/zinc/36/38/24/295363824.db2.gz VEINROICKWKARJ-MRXNPFEDSA-N 1 0 307.434 3.005 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)C(C)C ZINC000185864471 295364197 /nfs/dbraw/zinc/36/41/97/295364197.db2.gz NPSBTRKXFFWISD-IAGOWNOFSA-N 1 0 323.477 3.028 10 0 DGAERO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000459548024 434604245 /nfs/dbraw/zinc/60/42/45/434604245.db2.gz LIEIMVQVFHLJDB-SFHVURJKSA-N 1 0 300.446 3.445 10 0 DGAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CC[NH3+] ZINC000424064211 434612039 /nfs/dbraw/zinc/61/20/39/434612039.db2.gz VRHYGDUFICAZIU-SECBINFHSA-N 1 0 319.232 3.004 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CCCOCC1CC1 ZINC000440336598 434697533 /nfs/dbraw/zinc/69/75/33/434697533.db2.gz GMGGMFHMTOQSQU-UHFFFAOYSA-N 1 0 303.431 3.111 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000452719383 434690114 /nfs/dbraw/zinc/69/01/14/434690114.db2.gz BOTCVALSSXDSKD-INIZCTEOSA-N 1 0 324.827 3.238 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000360966270 434746505 /nfs/dbraw/zinc/74/65/05/434746505.db2.gz NAUOTOMPFHNDKI-UHFFFAOYSA-N 1 0 312.413 3.369 10 0 DGAERO c1cc(COc2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)cc2)ccn1 ZINC000459774689 434711322 /nfs/dbraw/zinc/71/13/22/434711322.db2.gz WJKVQFTZUUWVPL-WMZOPIPTSA-N 1 0 312.438 3.350 10 0 DGAERO c1ccc2c(c1)CCC[C@H]2[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000441815077 434767529 /nfs/dbraw/zinc/76/75/29/434767529.db2.gz QAFIOPOQCZMNQF-AZUAARDMSA-N 1 0 314.473 3.251 10 0 DGAERO CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000360998794 434759350 /nfs/dbraw/zinc/75/93/50/434759350.db2.gz YWZDKFPFAPUSGV-WMZOPIPTSA-N 1 0 322.493 3.129 10 0 DGAERO C[C@@H]([NH2+]CCn1cccn1)c1csc(-c2ccccc2F)n1 ZINC000361002200 434761561 /nfs/dbraw/zinc/76/15/61/434761561.db2.gz IPLIIXKRYIZJQT-GFCCVEGCSA-N 1 0 316.405 3.497 10 0 DGAERO COC1([C@H](C)[NH2+]CCCc2c[nH]c3ccccc23)CCOCC1 ZINC000453106548 434802251 /nfs/dbraw/zinc/80/22/51/434802251.db2.gz GXYISOVJLTXBAZ-HNNXBMFYSA-N 1 0 316.445 3.274 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2cc(F)ccc2SC)CCOCC1 ZINC000453112543 434804531 /nfs/dbraw/zinc/80/45/31/434804531.db2.gz DIHIXKFKGNFXMA-LBPRGKRZSA-N 1 0 313.438 3.221 10 0 DGAERO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)N2CCc3ccccc32)C1 ZINC000445066419 434790897 /nfs/dbraw/zinc/79/08/97/434790897.db2.gz PYDOTMVRHKBPGJ-KRWDZBQOSA-N 1 0 321.424 3.162 10 0 DGAERO COc1ccc([C@H](C)CC[NH2+][C@H](C)C2(OC)CCOCC2)cc1 ZINC000453114092 434804667 /nfs/dbraw/zinc/80/46/67/434804667.db2.gz GCXBALPDLAUDHO-HZPDHXFCSA-N 1 0 321.461 3.363 10 0 DGAERO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2(OC)CCOCC2)C1 ZINC000453128577 434808511 /nfs/dbraw/zinc/80/85/11/434808511.db2.gz JMAUDJIYHIMTRI-RBSFLKMASA-N 1 0 301.496 3.224 10 0 DGAERO CCCOc1cc(C)ccc1C[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453124953 434809370 /nfs/dbraw/zinc/80/93/70/434809370.db2.gz JACWYMSEUZUNTR-MRXNPFEDSA-N 1 0 321.461 3.458 10 0 DGAERO OC[C@H]1CC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000453139500 434812710 /nfs/dbraw/zinc/81/27/10/434812710.db2.gz NABWAKKDQLQNKZ-RWQQGDIJSA-N 1 0 303.446 3.295 10 0 DGAERO CC[C@@H](C[NH2+][C@@H](C)C1(OC)CCOCC1)Oc1ccccc1C ZINC000453141250 434812910 /nfs/dbraw/zinc/81/29/10/434812910.db2.gz BZFMTQIDGCGSJJ-IRXDYDNUSA-N 1 0 321.461 3.326 10 0 DGAERO COC1([C@@H](C)[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CCOCC1 ZINC000453221258 434833356 /nfs/dbraw/zinc/83/33/56/434833356.db2.gz RTUUEZANMFGBFL-FRFSOERESA-N 1 0 307.409 3.245 10 0 DGAERO Cc1ccc(-c2noc(N3CCC4(CCC[N@H+]4C)CC3)n2)cc1 ZINC000372599851 434842223 /nfs/dbraw/zinc/84/22/23/434842223.db2.gz MLUHCQSXYBHBIR-UHFFFAOYSA-N 1 0 312.417 3.110 10 0 DGAERO C[C@@H]([NH2+]CCOCC1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573407625 434895081 /nfs/dbraw/zinc/89/50/81/434895081.db2.gz WGRPGRPLOQMUAQ-XLIONFOSSA-N 1 0 316.489 3.303 10 0 DGAERO CCC1(C)C[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000461252159 434875021 /nfs/dbraw/zinc/87/50/21/434875021.db2.gz VREOPWXHAQJPDB-ZDUSSCGKSA-N 1 0 301.352 3.341 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1 ZINC000523451913 434950185 /nfs/dbraw/zinc/95/01/85/434950185.db2.gz WZFDASMGRUPBNP-AEFFLSMTSA-N 1 0 317.477 3.080 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000524018251 434967540 /nfs/dbraw/zinc/96/75/40/434967540.db2.gz MFJHQUMZNFWKMD-MRXNPFEDSA-N 1 0 306.425 3.094 10 0 DGAERO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462799508 434928971 /nfs/dbraw/zinc/92/89/71/434928971.db2.gz ULYVXCPYHOUZIN-UONOGXRCSA-N 1 0 307.434 3.139 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000465441049 435028750 /nfs/dbraw/zinc/02/87/50/435028750.db2.gz RGYDNSQCMDZDMT-HLLBOEOZSA-N 1 0 309.498 3.232 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC(C)C)c2ccccc2)C1 ZINC000524854470 434994515 /nfs/dbraw/zinc/99/45/15/434994515.db2.gz HZVCVLSKAJPHEO-WMZOPIPTSA-N 1 0 302.462 3.274 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(c2ccccc2)CC1 ZINC000556125232 434996396 /nfs/dbraw/zinc/99/63/96/434996396.db2.gz KKWVEEBULDZHKS-IBGZPJMESA-N 1 0 301.478 3.072 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)c1ccc(OC)cc1 ZINC000525092235 435003121 /nfs/dbraw/zinc/00/31/21/435003121.db2.gz VQGGQVRYBOGXTE-YJBOKZPZSA-N 1 0 318.461 3.179 10 0 DGAERO Cc1cc(CC[NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)on1 ZINC000556920130 435038025 /nfs/dbraw/zinc/03/80/25/435038025.db2.gz KICWBDBJKKWSBR-CQSZACIVSA-N 1 0 315.417 3.149 10 0 DGAERO COc1cccc(C2=CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC000557052267 435044362 /nfs/dbraw/zinc/04/43/62/435044362.db2.gz QABKMOPLSDONIR-UHFFFAOYSA-N 1 0 316.445 3.043 10 0 DGAERO C[C@H](CNC(=O)N1CCC2(C1)CCCCC2)[NH+]1CCC(C)CC1 ZINC000465811602 435045367 /nfs/dbraw/zinc/04/53/67/435045367.db2.gz KBFCTWCBWNVRFY-QGZVFWFLSA-N 1 0 321.509 3.473 10 0 DGAERO C[C@@H](OCc1ccccc1)C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638545637 435050221 /nfs/dbraw/zinc/05/02/21/435050221.db2.gz YUEDUDAHHBGIGR-OAHLLOKOSA-N 1 0 324.424 3.030 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466933921 435102166 /nfs/dbraw/zinc/10/21/66/435102166.db2.gz MNXQEWPZVLMGAD-MAUKXSAKSA-N 1 0 315.461 3.089 10 0 DGAERO COc1cc(C[NH2+]C2(C3CC3)CC2)cc(Br)c1O ZINC000531609535 435105331 /nfs/dbraw/zinc/10/53/31/435105331.db2.gz LOIPZCWXDGJNPA-UHFFFAOYSA-N 1 0 312.207 3.196 10 0 DGAERO C[C@@]1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000150844678 297859070 /nfs/dbraw/zinc/85/90/70/297859070.db2.gz OMFJTXPLLZSZRU-OCCSQVGLSA-N 1 0 319.276 3.047 10 0 DGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCOc1cccc(F)c1 ZINC000467511746 435123944 /nfs/dbraw/zinc/12/39/44/435123944.db2.gz ICDTWJIMEYJCAA-AWEZNQCLSA-N 1 0 303.377 3.473 10 0 DGAERO C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000579034337 435127300 /nfs/dbraw/zinc/12/73/00/435127300.db2.gz DPXMMVLLCFJFJF-GJZGRUSLSA-N 1 0 317.433 3.228 10 0 DGAERO CC(=O)c1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1C ZINC000579371606 435150549 /nfs/dbraw/zinc/15/05/49/435150549.db2.gz SFAWYBAAMYJWQI-CJNGLKHVSA-N 1 0 317.433 3.144 10 0 DGAERO c1ccc2c(c1)CC[C@H](C[N@@H+]1CCSC3(CCOCC3)C1)C2 ZINC000473210084 435142796 /nfs/dbraw/zinc/14/27/96/435142796.db2.gz SNXWVEPDTMPREX-INIZCTEOSA-N 1 0 317.498 3.390 10 0 DGAERO C[C@@H]1CCN(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000532845337 435195052 /nfs/dbraw/zinc/19/50/52/435195052.db2.gz UVDJHYYLTXCTBO-AOIWGVFYSA-N 1 0 302.462 3.086 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)Nc1ccccc1C[NH+](C)C ZINC000579976066 435197064 /nfs/dbraw/zinc/19/70/64/435197064.db2.gz FEWUANKJGVOMSY-CQSZACIVSA-N 1 0 304.434 3.472 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000475510096 435201573 /nfs/dbraw/zinc/20/15/73/435201573.db2.gz UDMMWJZPPAZCMP-QGZVFWFLSA-N 1 0 319.445 3.283 10 0 DGAERO Cc1nc(-c2ccc(C[NH2+]C3CCN(C)CC3)cc2)cs1 ZINC000532471859 435167550 /nfs/dbraw/zinc/16/75/50/435167550.db2.gz IOMUKZSADMCAJK-UHFFFAOYSA-N 1 0 301.459 3.302 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475626900 435206977 /nfs/dbraw/zinc/20/69/77/435206977.db2.gz PUQJJNATFHWGDI-KXBFYZLASA-N 1 0 321.436 3.417 10 0 DGAERO Brc1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc2c1OCCO2 ZINC000580214106 435214303 /nfs/dbraw/zinc/21/43/03/435214303.db2.gz KOTYFAYWJCTASW-GNXNZQSNSA-N 1 0 324.218 3.108 10 0 DGAERO c1nc2cc(C[NH2+][C@H]3CCOC4(CCSCC4)C3)ccc2[nH]1 ZINC000533227345 435217849 /nfs/dbraw/zinc/21/78/49/435217849.db2.gz RSXCXAMEABXYHR-AWEZNQCLSA-N 1 0 317.458 3.097 10 0 DGAERO C[C@H]1C[N@H+](C)C[C@H]1NCc1cc(Cl)ccc1Br ZINC000561526100 435223403 /nfs/dbraw/zinc/22/34/03/435223403.db2.gz LTLBENSQKYQVMT-TVQRCGJNSA-N 1 0 317.658 3.142 10 0 DGAERO C[C@H](F)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000580435688 435236125 /nfs/dbraw/zinc/23/61/25/435236125.db2.gz HVXCTVFUDQCZAR-GXSJLCMTSA-N 1 0 310.196 3.071 10 0 DGAERO C[C@H](C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000262325886 298089588 /nfs/dbraw/zinc/08/95/88/298089588.db2.gz DGMSOXYPCXGEPN-YWZLYKJASA-N 1 0 320.436 3.016 10 0 DGAERO c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)cn2)cc1 ZINC000533540097 435243396 /nfs/dbraw/zinc/24/33/96/435243396.db2.gz FKRVRKWDXNOKJB-MOPGFXCFSA-N 1 0 323.440 3.392 10 0 DGAERO CC[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)C1(C(=O)OC)CCC1 ZINC000477850797 435280859 /nfs/dbraw/zinc/28/08/59/435280859.db2.gz DAESYNZPQMZFGK-RDJZCZTQSA-N 1 0 311.466 3.029 10 0 DGAERO C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C1CCOCC1 ZINC000534345623 435282364 /nfs/dbraw/zinc/28/23/64/435282364.db2.gz YIMNMRYYDAMVND-UHFFFAOYSA-N 1 0 305.809 3.341 10 0 DGAERO CC[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000479467484 435334040 /nfs/dbraw/zinc/33/40/40/435334040.db2.gz PIOABMOQEDBKBF-MJGOQNOKSA-N 1 0 302.462 3.308 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000535626983 435339548 /nfs/dbraw/zinc/33/95/48/435339548.db2.gz SNOHMZLKVRGSFD-LJQANCHMSA-N 1 0 314.473 3.188 10 0 DGAERO OC[C@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccccc1 ZINC000512036403 435343045 /nfs/dbraw/zinc/34/30/45/435343045.db2.gz HYSXADKZMAZYBN-AWFCHZOYSA-N 1 0 303.352 3.344 10 0 DGAERO Fc1ccc(/C=C\C[NH2+]CCc2cn3ccccc3n2)cc1F ZINC000512133028 435344290 /nfs/dbraw/zinc/34/42/90/435344290.db2.gz XGGLHRLQFMANNM-ARJAWSKDSA-N 1 0 313.351 3.458 10 0 DGAERO c1ccc(-c2nnc([C@@H]3CCC[N@H+]3C[C@H]3CCCOC3)[nH]2)cc1 ZINC000535764843 435347091 /nfs/dbraw/zinc/34/70/91/435347091.db2.gz JQOQRXYEPZZIFX-ZBFHGGJFSA-N 1 0 312.417 3.035 10 0 DGAERO CCc1cc(NC(=O)N2CC[NH+](CC(C)C)CC2)ccc1C ZINC000480998290 435405018 /nfs/dbraw/zinc/40/50/18/435405018.db2.gz LTXLNGPYIPHCJA-UHFFFAOYSA-N 1 0 303.450 3.363 10 0 DGAERO C[C@@H]([NH2+]CCCC1CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000536865213 435417477 /nfs/dbraw/zinc/41/74/77/435417477.db2.gz VSFIVOXEZVDLBR-CQSZACIVSA-N 1 0 322.474 3.067 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H](C)CN1CCCC1=O ZINC000512995982 435374352 /nfs/dbraw/zinc/37/43/52/435374352.db2.gz ATNFRXPNXJQDAW-QLKUMGTLSA-N 1 0 306.837 3.344 10 0 DGAERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2c(Br)cnn2C)[C@@H]1C ZINC000481825289 435444970 /nfs/dbraw/zinc/44/49/70/435444970.db2.gz QHYKIOXXNNZRIJ-UTUOFQBUSA-N 1 0 314.271 3.345 10 0 DGAERO COC(=O)C(C)(C)N1CC[NH+](CC[C@H](C)CCC=C(C)C)CC1 ZINC000482237590 435459574 /nfs/dbraw/zinc/45/95/74/435459574.db2.gz FKIABSINKMVRNJ-QGZVFWFLSA-N 1 0 324.509 3.328 10 0 DGAERO CCOC(=O)C[C@](C)([NH2+]CCOc1ccc(F)cc1)C(C)C ZINC000481687837 435439996 /nfs/dbraw/zinc/43/99/96/435439996.db2.gz DSMMLIWCVWFQOJ-KRWDZBQOSA-N 1 0 311.397 3.162 10 0 DGAERO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)C1(c2ccccc2)CCCC1 ZINC000481814255 435443193 /nfs/dbraw/zinc/44/31/93/435443193.db2.gz KKUQHXRKQJDRMC-INIZCTEOSA-N 1 0 314.473 3.345 10 0 DGAERO CCOC(=O)c1ccc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)o1 ZINC000538727101 435517719 /nfs/dbraw/zinc/51/77/19/435517719.db2.gz UERGTYOWPUNGGL-MRXNPFEDSA-N 1 0 313.397 3.446 10 0 DGAERO Cn1ccc([C@@H]([NH2+]CCc2ccccc2)c2ccc(F)cc2)n1 ZINC000539369958 435548628 /nfs/dbraw/zinc/54/86/28/435548628.db2.gz MZIFMIOZARPTLQ-IBGZPJMESA-N 1 0 309.388 3.481 10 0 DGAERO C[C@@H]1C[C@H]1[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(Cl)cc1 ZINC000539422512 435552467 /nfs/dbraw/zinc/55/24/67/435552467.db2.gz QRYQURSATHMQCB-NJAPINKUSA-N 1 0 320.864 3.495 10 0 DGAERO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N(C)CCC[NH+](C)C ZINC000539417094 435553261 /nfs/dbraw/zinc/55/32/61/435553261.db2.gz ZWXLLEVYPWLKFY-MRXNPFEDSA-N 1 0 320.477 3.296 10 0 DGAERO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCSC ZINC000484297627 435542682 /nfs/dbraw/zinc/54/26/82/435542682.db2.gz JAIDSOWLBGTMPW-GOSISDBHSA-N 1 0 321.486 3.380 10 0 DGAERO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000486810122 435616598 /nfs/dbraw/zinc/61/65/98/435616598.db2.gz QTEQNCGTQGFSIX-IBGZPJMESA-N 1 0 314.473 3.342 10 0 DGAERO CC[N@H+](CC(=O)N[C@@H](C)C(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000518252798 435629129 /nfs/dbraw/zinc/62/91/29/435629129.db2.gz GGNMPQDWUXJHMC-CVEARBPZSA-N 1 0 320.477 3.109 10 0 DGAERO CCCC[N@H+](C)CCNC(=O)Nc1cc(C)cc(OC)c1C ZINC000489675461 435651758 /nfs/dbraw/zinc/65/17/58/435651758.db2.gz FHKMZQBWRODEJX-UHFFFAOYSA-N 1 0 307.438 3.165 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000237605179 300001805 /nfs/dbraw/zinc/00/18/05/300001805.db2.gz RQZRAHVAAAJZPN-HESDIHGYSA-N 1 0 304.478 3.097 10 0 DGAERO COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000549037849 435734768 /nfs/dbraw/zinc/73/47/68/435734768.db2.gz WTSJXMNIFJSYNT-IAGOWNOFSA-N 1 0 311.429 3.473 10 0 DGAERO c1ccc2nc(CC[NH2+]Cc3cnc(C4CC4)nc3)ccc2c1 ZINC000519870190 435715021 /nfs/dbraw/zinc/71/50/21/435715021.db2.gz RVGHXZVBZGPELT-UHFFFAOYSA-N 1 0 304.397 3.235 10 0 DGAERO c1ccc([C@H]([NH2+][C@H]2CCC23CCOCC3)[C@H]2CCOC2)cc1 ZINC000548858107 435722378 /nfs/dbraw/zinc/72/23/78/435722378.db2.gz HDRBSVFUHDZHEO-BZSNNMDCSA-N 1 0 301.430 3.313 10 0 DGAERO c1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)nc2c1CCC2 ZINC000572249932 435800975 /nfs/dbraw/zinc/80/09/75/435800975.db2.gz RRWYVLISXWLJSQ-SFHVURJKSA-N 1 0 300.446 3.494 10 0 DGAERO CC1=CC[N@H+](CCNc2nccc(Oc3ccccc3)n2)CC1 ZINC000550746843 435809565 /nfs/dbraw/zinc/80/95/65/435809565.db2.gz WBULNKYNOUVRBU-UHFFFAOYSA-N 1 0 310.401 3.333 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCCN1CCC1 ZINC000572617291 435847294 /nfs/dbraw/zinc/84/72/94/435847294.db2.gz YTBZWQAUHIBFTQ-WYMLVPIESA-N 1 0 310.388 3.377 10 0 DGAERO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)n2)cc1 ZINC000551724848 435850085 /nfs/dbraw/zinc/85/00/85/435850085.db2.gz WQAMLUBYLNTFIE-HZPDHXFCSA-N 1 0 313.401 3.188 10 0 DGAERO C[C@H](NC(=O)c1cccc2c1C[NH2+]C2)c1ccc(Cl)s1 ZINC000662383417 436341745 /nfs/dbraw/zinc/34/17/45/436341745.db2.gz IZUUNCPKIVKVQR-VIFPVBQESA-N 1 0 306.818 3.496 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cncc(Br)c1 ZINC000657891900 436334905 /nfs/dbraw/zinc/33/49/05/436334905.db2.gz ZHQHBWYOXCBYBG-MISXGVKJSA-N 1 0 313.239 3.046 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000658246400 436409348 /nfs/dbraw/zinc/40/93/48/436409348.db2.gz YXRAOSUGZWWDLN-ZJUUUORDSA-N 1 0 301.217 3.122 10 0 DGAERO Cc1ccc2cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c2n1 ZINC000132019471 301922886 /nfs/dbraw/zinc/92/28/86/301922886.db2.gz JNQWFJQZRVPMAJ-INIZCTEOSA-N 1 0 313.445 3.249 10 0 DGAERO CCc1cccc(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000132480982 312643193 /nfs/dbraw/zinc/64/31/93/312643193.db2.gz UTLMHWNMIGCVER-LJQANCHMSA-N 1 0 310.441 3.211 10 0 DGAERO CC(C)c1ccc(C[C@@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000166291743 312693697 /nfs/dbraw/zinc/69/36/97/312693697.db2.gz ULIDATWWDFXWFT-CRAIPNDOSA-N 1 0 317.477 3.087 10 0 DGAERO CC(C)[C@@H](C)CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000172505602 312749785 /nfs/dbraw/zinc/74/97/85/312749785.db2.gz TWSBOACPHDJUCL-ROUUACIJSA-N 1 0 323.525 3.432 10 0 DGAERO c1cc2c(c(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)c1)OCO2 ZINC000376415000 312946464 /nfs/dbraw/zinc/94/64/64/312946464.db2.gz MYAAGTXYEAKTER-OWCLPIDISA-N 1 0 303.402 3.100 10 0 DGAERO c1cc2c(cccc2CC[NH2+]C2CCN(c3ccccn3)CC2)[nH]1 ZINC000376984808 313005783 /nfs/dbraw/zinc/00/57/83/313005783.db2.gz HLYZQKWMNAMXDJ-UHFFFAOYSA-N 1 0 320.440 3.364 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2N[C@@H]1CC[NH2+]C12CCC2 ZINC000530214942 313340997 /nfs/dbraw/zinc/34/09/97/313340997.db2.gz DYHLWTLSQQNUIC-PKOBYXMFSA-N 1 0 322.456 3.124 10 0 DGAERO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(Br)c(F)c1F ZINC000530223617 313342043 /nfs/dbraw/zinc/34/20/43/313342043.db2.gz OCPUFLOLAMVAAG-WCBMZHEXSA-N 1 0 319.193 3.039 10 0 DGAERO c1ccc(OCc2cccnc2)c(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000530244756 313347050 /nfs/dbraw/zinc/34/70/50/313347050.db2.gz NHCGTHKWYPTXRW-IBGZPJMESA-N 1 0 323.440 3.035 10 0 DGAERO c1nc2c([nH]1)[C@@H](c1ccc(-c3cnc(C4CC4)o3)cc1)[NH2+]CC2 ZINC000530252034 313348920 /nfs/dbraw/zinc/34/89/20/313348920.db2.gz XGOZIQNTGIUAPK-MRXNPFEDSA-N 1 0 306.369 3.177 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC000536412882 313759449 /nfs/dbraw/zinc/75/94/49/313759449.db2.gz AOJHZJKISNFQDO-MRXNPFEDSA-N 1 0 321.509 3.330 10 0 DGAERO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000536831772 313785980 /nfs/dbraw/zinc/78/59/80/313785980.db2.gz IAAQCNQDSWVORH-AWEZNQCLSA-N 1 0 314.433 3.050 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1ccccc1COC(C)(C)C ZINC000537214861 313802722 /nfs/dbraw/zinc/80/27/22/313802722.db2.gz AJYONASRGSHHSC-UHFFFAOYSA-N 1 0 306.450 3.025 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NCCCc2cccs2)CC1 ZINC000537677501 313828765 /nfs/dbraw/zinc/82/87/65/313828765.db2.gz FBXCVNUPDXHMNG-UHFFFAOYSA-N 1 0 323.506 3.102 10 0 DGAERO Fc1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)ccc1-n1cncn1 ZINC000538726797 313880206 /nfs/dbraw/zinc/88/02/06/313880206.db2.gz YHJXYLNCYGKTLE-HUUCEWRRSA-N 1 0 300.381 3.028 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(Cl)cc1 ZINC000539422514 313912624 /nfs/dbraw/zinc/91/26/24/313912624.db2.gz QRYQURSATHMQCB-PZPSRYQVSA-N 1 0 320.864 3.495 10 0 DGAERO Cc1nc(-c2ccccc2)ccc1C(=O)N(C)CCC[NH+](C)C ZINC000540515109 313963638 /nfs/dbraw/zinc/96/36/38/313963638.db2.gz WTYPFWBBOSOYAU-UHFFFAOYSA-N 1 0 311.429 3.081 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H]1CC=CCC1 ZINC000541337750 314009405 /nfs/dbraw/zinc/00/94/05/314009405.db2.gz RGBGWQIOXGSRKB-DLBZAZTESA-N 1 0 307.482 3.249 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000542153528 314059169 /nfs/dbraw/zinc/05/91/69/314059169.db2.gz HUUBHDMUSRUDBV-WMLDXEAASA-N 1 0 306.425 3.137 10 0 DGAERO C[N@@H+](CC(=O)NCCCc1ccccc1)C[C@H]1CC=CCC1 ZINC000542248682 314064783 /nfs/dbraw/zinc/06/47/83/314064783.db2.gz NKIAVWITHUQMJM-SFHVURJKSA-N 1 0 300.446 3.024 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CC=CCC1 ZINC000542255517 314065303 /nfs/dbraw/zinc/06/53/03/314065303.db2.gz ZZPYJPIJVIETMS-ROUUACIJSA-N 1 0 314.473 3.330 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000542255518 314065334 /nfs/dbraw/zinc/06/53/34/314065334.db2.gz ZZPYJPIJVIETMS-ZWKOTPCHSA-N 1 0 314.473 3.330 10 0 DGAERO c1coc(COCc2cccc(C[NH2+][C@@H]3CCCOC3)c2)c1 ZINC000542861871 314103734 /nfs/dbraw/zinc/10/37/34/314103734.db2.gz XGFOQBTVIXIFCG-QGZVFWFLSA-N 1 0 301.386 3.265 10 0 DGAERO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000542916068 314105814 /nfs/dbraw/zinc/10/58/14/314105814.db2.gz VPNRPIOOFDOUNB-CJNGLKHVSA-N 1 0 305.443 3.052 10 0 DGAERO COC(=O)c1ccc(-c2nc(C[NH+]3C[C@H](C)[C@@H](C)C3)co2)cc1 ZINC000542928824 314106772 /nfs/dbraw/zinc/10/67/72/314106772.db2.gz VGTORIOKLMGGDV-STQMWFEESA-N 1 0 314.385 3.216 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2C[C@@H]2C)CC1 ZINC000542983871 314109342 /nfs/dbraw/zinc/10/93/42/314109342.db2.gz RQZVGNXGIBFOHF-DOTOQJQBSA-N 1 0 309.498 3.186 10 0 DGAERO C[C@H](Cc1ccsc1)[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000543081019 314113229 /nfs/dbraw/zinc/11/32/29/314113229.db2.gz LXGYNHKAPUKGEN-PBHICJAKSA-N 1 0 314.454 3.242 10 0 DGAERO COC(=O)c1ccccc1OCC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000543172387 314117872 /nfs/dbraw/zinc/11/78/72/314117872.db2.gz PWIRYFLQIIPCPF-OAHLLOKOSA-N 1 0 303.402 3.140 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000543199510 314120248 /nfs/dbraw/zinc/12/02/48/314120248.db2.gz HHSCORYWECPTIQ-QGZVFWFLSA-N 1 0 307.482 3.106 10 0 DGAERO C[N@H+](C[C@@H](O)COc1ccccc1Cl)C[C@@H]1CC=CCC1 ZINC000544106535 314173040 /nfs/dbraw/zinc/17/30/40/314173040.db2.gz PABBZBVBMYIEOC-HUUCEWRRSA-N 1 0 309.837 3.368 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000544136875 314176143 /nfs/dbraw/zinc/17/61/43/314176143.db2.gz MMFFQASRCMMODZ-OAHLLOKOSA-N 1 0 307.482 3.247 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000544254914 314182729 /nfs/dbraw/zinc/18/27/29/314182729.db2.gz ZHEWHHHOEUIQGQ-GJZGRUSLSA-N 1 0 321.490 3.349 10 0 DGAERO C[C@H](CCNC(=O)N(C)C[C@H]1CC=CCC1)[NH+]1CCCCC1 ZINC000544330959 314185837 /nfs/dbraw/zinc/18/58/37/314185837.db2.gz UNGHZDCSFUQYJS-SJORKVTESA-N 1 0 307.482 3.249 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@@H](C)c2ccccc2F)CC1 ZINC000546565389 314311250 /nfs/dbraw/zinc/31/12/50/314311250.db2.gz ACXMLWJKHYITIE-HNNXBMFYSA-N 1 0 319.424 3.180 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2ccc(Br)s2)CC1 ZINC000547271907 314352256 /nfs/dbraw/zinc/35/22/56/314352256.db2.gz RWEGNHYERIVSMY-UHFFFAOYSA-N 1 0 315.280 3.252 10 0 DGAERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCCc2ccncc2)C1 ZINC000547317683 314355957 /nfs/dbraw/zinc/35/59/57/314355957.db2.gz XGHSPQFCYXXYHS-QGZVFWFLSA-N 1 0 318.461 3.458 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000547361521 314359492 /nfs/dbraw/zinc/35/94/92/314359492.db2.gz KNBCVFORLYBVAC-VQIMIIECSA-N 1 0 313.441 3.210 10 0 DGAERO CC(=O)c1cc(Br)cc(F)c1OC[C@H](C)[NH+](C)C ZINC000548148772 314426460 /nfs/dbraw/zinc/42/64/60/314426460.db2.gz RDVXFZSOKYYPOP-QMMMGPOBSA-N 1 0 318.186 3.120 10 0 DGAERO Cn1cncc1[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(F)cc2)CCO1 ZINC000548348924 314439113 /nfs/dbraw/zinc/43/91/13/314439113.db2.gz HQFKMVYRBSYRHS-IFEGVLKZSA-N 1 0 315.392 3.082 10 0 DGAERO C[C@H](Cc1ccsc1)[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000557276002 314801208 /nfs/dbraw/zinc/80/12/08/314801208.db2.gz AECWZDJKOUTLDG-HIFRSBDPSA-N 1 0 303.427 3.499 10 0 DGAERO Fc1ccccc1-c1n[nH]cc1C[NH2+]CCOCC1CCC1 ZINC000558649153 314855305 /nfs/dbraw/zinc/85/53/05/314855305.db2.gz MWJQHDNLRDBSDL-UHFFFAOYSA-N 1 0 303.381 3.122 10 0 DGAERO COC[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)C1CCCC1 ZINC000562488362 315023432 /nfs/dbraw/zinc/02/34/32/315023432.db2.gz WSLOZFGFMGLUHM-JKSUJKDBSA-N 1 0 305.418 3.011 10 0 DGAERO C[C@H](F)CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000564076121 315155538 /nfs/dbraw/zinc/15/55/38/315155538.db2.gz HWTOXMDHKWBXTA-VHSXEESVSA-N 1 0 310.196 3.071 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(Br)cn1 ZINC000564784630 315199423 /nfs/dbraw/zinc/19/94/23/315199423.db2.gz JCLUNISDRNXQNY-LOWVWBTDSA-N 1 0 313.239 3.046 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(Br)cn1 ZINC000564784628 315199485 /nfs/dbraw/zinc/19/94/85/315199485.db2.gz JCLUNISDRNXQNY-GMXVVIOVSA-N 1 0 313.239 3.046 10 0 DGAERO CC[NH+]1CCC(CNC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000574173806 315940481 /nfs/dbraw/zinc/94/04/81/315940481.db2.gz FVXMJMGOIXENRS-UHFFFAOYSA-N 1 0 317.477 3.339 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]CCOCC2CCC2)cc1OC ZINC000576454737 316131917 /nfs/dbraw/zinc/13/19/17/316131917.db2.gz HLGVNKLKENXSAI-AWEZNQCLSA-N 1 0 307.434 3.041 10 0 DGAERO COc1cccc(C[C@@H]([NH2+]CCOCC2CCC2)C2CC2)c1 ZINC000576516051 316138295 /nfs/dbraw/zinc/13/82/95/316138295.db2.gz TXXKSAQMYGSVFK-LJQANCHMSA-N 1 0 303.446 3.423 10 0 DGAERO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000577732696 316265173 /nfs/dbraw/zinc/26/51/73/316265173.db2.gz MUBMTOAKYWSIPV-IVZWLZJFSA-N 1 0 319.232 3.003 10 0 DGAERO COCCCN(C)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180133723 323221969 /nfs/dbraw/zinc/22/19/69/323221969.db2.gz TTWBZPHQJXIDER-QGZVFWFLSA-N 1 0 310.869 3.349 10 0 DGAERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1F ZINC000180145364 323222498 /nfs/dbraw/zinc/22/24/98/323222498.db2.gz QXYKSPLMALGTPP-QZTJIDSGSA-N 1 0 312.388 3.309 10 0 DGAERO Cc1cc(C)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180170822 323223016 /nfs/dbraw/zinc/22/30/16/323223016.db2.gz ZFSASMWEPREFSL-RTBURBONSA-N 1 0 308.425 3.479 10 0 DGAERO CCCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180491269 323230838 /nfs/dbraw/zinc/23/08/38/323230838.db2.gz VCMDHHADSMCUKI-QFBILLFUSA-N 1 0 320.477 3.237 10 0 DGAERO CCC(CC)n1nc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1C ZINC000180701127 323236910 /nfs/dbraw/zinc/23/69/10/323236910.db2.gz XGBVFJJPSAGXQK-OAHLLOKOSA-N 1 0 322.497 3.259 10 0 DGAERO CCC[C@H](C)C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000181030586 323244356 /nfs/dbraw/zinc/24/43/56/323244356.db2.gz AAZVAMZSDPIJOP-LBPRGKRZSA-N 1 0 303.855 3.140 10 0 DGAERO CCC(CC)n1nc(C)cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181013630 323244445 /nfs/dbraw/zinc/24/44/45/323244445.db2.gz AQGMTNLMSRLHQW-ZBFHGGJFSA-N 1 0 320.481 3.107 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181225913 323249362 /nfs/dbraw/zinc/24/93/62/323249362.db2.gz LCNBNJGKWCNMDI-RDJZCZTQSA-N 1 0 318.461 3.049 10 0 DGAERO C[C@@H](NC(=O)c1c[nH]c2cc(F)ccc12)C(C)(C)C[NH+](C)C ZINC000181234019 323249607 /nfs/dbraw/zinc/24/96/07/323249607.db2.gz PHJSSJGGDPPCRM-LLVKDONJSA-N 1 0 305.397 3.013 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)c(Cl)c2F)CC[N@@H+]1C ZINC000181233153 323249669 /nfs/dbraw/zinc/24/96/69/323249669.db2.gz JHZCCFARLZBSHV-NXEZZACHSA-N 1 0 316.779 3.173 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(F)c(Cl)c1F ZINC000181257441 323250612 /nfs/dbraw/zinc/25/06/12/323250612.db2.gz DRTWHSNCBJBVJI-SNVBAGLBSA-N 1 0 318.795 3.324 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2nccn2CC(C)C)C12CCCC2 ZINC000181810261 323270357 /nfs/dbraw/zinc/27/03/57/323270357.db2.gz XCEVXXGHJMVYLZ-CVEARBPZSA-N 1 0 305.466 3.367 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000182046541 323281437 /nfs/dbraw/zinc/28/14/37/323281437.db2.gz OTEHCVZFKGFOHS-UHFFFAOYSA-N 1 0 311.429 3.035 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@@H](C)Cc3ccccc3)CC2)nn1 ZINC000182040524 323281478 /nfs/dbraw/zinc/28/14/78/323281478.db2.gz PNIQZDXCDOVMRS-KRWDZBQOSA-N 1 0 324.472 3.176 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)C(=O)N1CCCC[C@@H]1C ZINC000182058111 323282080 /nfs/dbraw/zinc/28/20/80/323282080.db2.gz HCTIDZDNBXFLFI-YESZJQIVSA-N 1 0 302.462 3.244 10 0 DGAERO COc1cccc([C@@H](C)[NH2+][C@@H](CC(N)=O)C2CCCCC2)c1 ZINC000182075275 323282861 /nfs/dbraw/zinc/28/28/61/323282861.db2.gz AULQUTYCSRPENF-DYVFJYSZSA-N 1 0 304.434 3.170 10 0 DGAERO CCC1(CC)[C@H]([NH2+]CCCc2c(C)nn(C)c2C)C[C@H]1OC ZINC000182110147 323283659 /nfs/dbraw/zinc/28/36/59/323283659.db2.gz PFPNQMSKJGQLFZ-IAGOWNOFSA-N 1 0 307.482 3.153 10 0 DGAERO CCCC[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(OC)cc1 ZINC000182144135 323285357 /nfs/dbraw/zinc/28/53/57/323285357.db2.gz ANIFZWHKWFBABF-MRXNPFEDSA-N 1 0 306.450 3.431 10 0 DGAERO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)o1 ZINC000182212630 323287085 /nfs/dbraw/zinc/28/70/85/323287085.db2.gz IYBWRZHHMDJKQB-CQSZACIVSA-N 1 0 323.820 3.422 10 0 DGAERO CC[C@H]([NH2+]Cc1ncc(-c2ccc(OC)cc2)o1)[C@@H]1CCCO1 ZINC000182292284 323291389 /nfs/dbraw/zinc/29/13/89/323291389.db2.gz APDFVYLAGIJUMP-HOTGVXAUSA-N 1 0 316.401 3.397 10 0 DGAERO CC[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1CC)[C@H]1CCCO1 ZINC000182355750 323295283 /nfs/dbraw/zinc/29/52/83/323295283.db2.gz JLBUGENMIJDQOY-CZUORRHYSA-N 1 0 305.397 3.243 10 0 DGAERO C[C@@H](C(=O)OC(C)(C)C)N(C)CCC(=O)c1ccc(F)cc1 ZINC000182394496 323296902 /nfs/dbraw/zinc/29/69/02/323296902.db2.gz YCQJRVLYZMHSOP-LBPRGKRZSA-N 1 0 309.381 3.061 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C)cc1)c1c(C)noc1C ZINC000182472635 323300728 /nfs/dbraw/zinc/30/07/28/323300728.db2.gz JZCFPVODTREJMP-NVXWUHKLSA-N 1 0 318.417 3.080 10 0 DGAERO Cn1ccnc1CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000182576619 323305357 /nfs/dbraw/zinc/30/53/57/323305357.db2.gz NZWUEARSEISNNI-LBPRGKRZSA-N 1 0 305.250 3.092 10 0 DGAERO CC[NH+](CC)CCNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183003118 323319243 /nfs/dbraw/zinc/31/92/43/323319243.db2.gz CMAOUHNCBGDXCG-UHFFFAOYSA-N 1 0 308.388 3.203 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000183068493 323323617 /nfs/dbraw/zinc/32/36/17/323323617.db2.gz AEWSMNNFCDIAMX-RUXDESIVSA-N 1 0 320.399 3.346 10 0 DGAERO COc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000183343357 323334661 /nfs/dbraw/zinc/33/46/61/323334661.db2.gz CSYARKAUTCEJSL-LSDHHAIUSA-N 1 0 312.413 3.416 10 0 DGAERO COc1ccc([C@H](CCC(C)C)[NH2+]CCCn2ccnn2)cc1 ZINC000184262271 323359999 /nfs/dbraw/zinc/35/99/99/323359999.db2.gz KSDHTSSUJAXFDT-SFHVURJKSA-N 1 0 316.449 3.444 10 0 DGAERO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCCn1ccnn1 ZINC000184268185 323360699 /nfs/dbraw/zinc/36/06/99/323360699.db2.gz XOTDCYRKQRMAGS-QGZVFWFLSA-N 1 0 314.433 3.295 10 0 DGAERO CCOc1cccc2cc([C@@H](C)[NH2+]CCCn3ccnn3)oc21 ZINC000184277376 323360752 /nfs/dbraw/zinc/36/07/52/323360752.db2.gz RYORXZPBUQYIJF-CYBMUJFWSA-N 1 0 314.389 3.164 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000187616668 323416693 /nfs/dbraw/zinc/41/66/93/323416693.db2.gz ZZUJWVYXNQZAHE-QFBILLFUSA-N 1 0 320.477 3.094 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000187616637 323416838 /nfs/dbraw/zinc/41/68/38/323416838.db2.gz ZZUJWVYXNQZAHE-LPHOPBHVSA-N 1 0 320.477 3.094 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000187660916 323417885 /nfs/dbraw/zinc/41/78/85/323417885.db2.gz UDHRPXQLSJHNFX-RHSMWYFYSA-N 1 0 310.869 3.349 10 0 DGAERO COC[C@H](C)C[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000187707592 323417944 /nfs/dbraw/zinc/41/79/44/323417944.db2.gz LJOHFFCLQZFVCI-NEPJUHHUSA-N 1 0 305.340 3.345 10 0 DGAERO COC[C@H](C)C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000187738388 323418834 /nfs/dbraw/zinc/41/88/34/323418834.db2.gz ZHRQVBIFLZLQNG-SNVBAGLBSA-N 1 0 304.203 3.003 10 0 DGAERO COC[C@@H](C)C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000187738371 323419132 /nfs/dbraw/zinc/41/91/32/323419132.db2.gz ZHRQVBIFLZLQNG-JTQLQIEISA-N 1 0 304.203 3.003 10 0 DGAERO Cn1c2ccc(C[NH2+]C3(C)Cc4ccccc4C3)cc2sc1=O ZINC000192649031 323456135 /nfs/dbraw/zinc/45/61/35/323456135.db2.gz FFCVOPBOMAEPPZ-UHFFFAOYSA-N 1 0 324.449 3.247 10 0 DGAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000192848573 323459339 /nfs/dbraw/zinc/45/93/39/323459339.db2.gz PJLJJDJYFDMVHF-HYVNUMGLSA-N 1 0 302.462 3.100 10 0 DGAERO CN(CC1CC1)C(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000194127472 323472177 /nfs/dbraw/zinc/47/21/77/323472177.db2.gz LCRBAESSWDELTM-KRWDZBQOSA-N 1 0 306.837 3.249 10 0 DGAERO c1[nH+]cn2ccc(-c3noc([C@H]4CC45CCSCC5)n3)cc12 ZINC000351117702 323548628 /nfs/dbraw/zinc/54/86/28/323548628.db2.gz PUOQJUVNKAUUJY-CYBMUJFWSA-N 1 0 312.398 3.385 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]1C ZINC000385631887 323631931 /nfs/dbraw/zinc/63/19/31/323631931.db2.gz KPMIFMUOEZBOIX-PTRXPTGYSA-N 1 0 312.207 3.312 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000389834440 323663538 /nfs/dbraw/zinc/66/35/38/323663538.db2.gz JHZUXFXGMWQKHD-KCJUWKMLSA-N 1 0 302.205 3.113 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000580230934 323974177 /nfs/dbraw/zinc/97/41/77/323974177.db2.gz FDPFOKMJHAHJNJ-INIZCTEOSA-N 1 0 302.462 3.246 10 0 DGAERO OC[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)C1CCCCC1 ZINC000580767334 324036744 /nfs/dbraw/zinc/03/67/44/324036744.db2.gz GVJZXGXRKNPQOW-CTWPCTMYSA-N 1 0 303.446 3.265 10 0 DGAERO C[C@H]([NH2+]CCOCC1CCC1)c1ccc2c(c1)OCCCO2 ZINC000582573735 324247390 /nfs/dbraw/zinc/24/73/90/324247390.db2.gz TXANQUBGLBIZJS-AWEZNQCLSA-N 1 0 305.418 3.315 10 0 DGAERO c1nc(-c2ccccn2)sc1C[NH2+]CCOCC1CCC1 ZINC000583355679 324342799 /nfs/dbraw/zinc/34/27/99/324342799.db2.gz WDLPGABDUVIZKS-UHFFFAOYSA-N 1 0 303.431 3.111 10 0 DGAERO Fc1cccc(N2CCCC2)c1C[NH2+]CCOCC1CCC1 ZINC000584403575 337319655 /nfs/dbraw/zinc/31/96/55/337319655.db2.gz VQFHCMIUZAAHPN-UHFFFAOYSA-N 1 0 306.425 3.332 10 0 DGAERO O[C@H](c1ccccc1)[C@H](c1ccccc1Cl)N1CC[NH2+]CC1 ZINC000584620827 337374821 /nfs/dbraw/zinc/37/48/21/337374821.db2.gz APBQBZNZZVCJEZ-ZWKOTPCHSA-N 1 0 316.832 3.020 10 0 DGAERO O=C(NC1CCCC1)c1cc([C@@H]2C[C@H]2[NH2+]C2CCC2)cs1 ZINC000584630418 337376686 /nfs/dbraw/zinc/37/66/86/337376686.db2.gz WWNDTVLDEKXLOI-LSDHHAIUSA-N 1 0 304.459 3.419 10 0 DGAERO CC[NH+](CC)CCOc1ccc([C@@](C)(O)c2ccncc2)cc1 ZINC000584637385 337379421 /nfs/dbraw/zinc/37/94/21/337379421.db2.gz TUJAXSPTTVDQEH-LJQANCHMSA-N 1 0 314.429 3.058 10 0 DGAERO CO[C@H]1C[C@H]([NH2+]Cc2ccsc2Br)C1(C)C ZINC000388885210 1176983234 /nfs/dbraw/zinc/98/32/34/1176983234.db2.gz KMHNGWNVESMLFX-UWVGGRQHSA-N 1 0 304.253 3.414 10 0 DGAERO CCOc1c(Br)cc(C[NH2+]CCCF)cc1OC ZINC000136514480 1177845189 /nfs/dbraw/zinc/84/51/89/1177845189.db2.gz WKJKORXUNODCCP-UHFFFAOYSA-N 1 0 320.202 3.306 10 0 DGAERO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCSC(C)(C)C1)c1ccccc1 ZINC000177520690 533725725 /nfs/dbraw/zinc/72/57/25/533725725.db2.gz YLVRWVJHAUPUFR-KBPBESRZSA-N 1 0 306.475 3.080 10 0 DGAERO CSCc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1F ZINC000177223162 533833131 /nfs/dbraw/zinc/83/31/31/533833131.db2.gz VVANHYHPRIQJJJ-BXUZGUMPSA-N 1 0 322.449 3.044 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(-c2ccccc2)cc1 ZINC000175423470 533909394 /nfs/dbraw/zinc/90/93/94/533909394.db2.gz IQENDGBNVPPALW-JXFKEZNVSA-N 1 0 310.441 3.335 10 0 DGAERO Cc1nc(-c2ccc(C[NH2+]Cc3cn(C)nc3C)cc2)cs1 ZINC000534466868 518192312 /nfs/dbraw/zinc/19/23/12/518192312.db2.gz NHDFOUNGLMISCI-UHFFFAOYSA-N 1 0 312.442 3.450 10 0 DGAERO CC(C)(C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000103206234 518509524 /nfs/dbraw/zinc/50/95/24/518509524.db2.gz SAAZVCGWYIAZPW-UHFFFAOYSA-N 1 0 318.436 3.190 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H](c2ccco2)c2ccccc2)CC1 ZINC000154752665 519645744 /nfs/dbraw/zinc/64/57/44/519645744.db2.gz HVHHFHDATISFEG-FAFZWHIHSA-N 1 0 312.413 3.406 10 0 DGAERO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181299841 519734938 /nfs/dbraw/zinc/73/49/38/519734938.db2.gz OCVGHCSEBZHZSC-HNNXBMFYSA-N 1 0 311.429 3.171 10 0 DGAERO CC(C)c1nc(NC[C@H]2CCC[NH2+]C2)cc(-c2ccncc2)n1 ZINC000070456366 519866076 /nfs/dbraw/zinc/86/60/76/519866076.db2.gz XVXQFIZRCCBRRA-AWEZNQCLSA-N 1 0 311.433 3.074 10 0 DGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000156671539 521332364 /nfs/dbraw/zinc/33/23/64/521332364.db2.gz GBALYVVJIGAYPA-CYBMUJFWSA-N 1 0 323.506 3.324 10 0 DGAERO Cc1[nH+]c2ccccc2c(N2CCC[C@@H](Cn3ccnn3)C2)c1C ZINC000302072696 534669390 /nfs/dbraw/zinc/66/93/90/534669390.db2.gz HJNYCPQJXXBXJE-MRXNPFEDSA-N 1 0 321.428 3.360 10 0 DGAERO Cc1[nH+]c2ccccc2c(N(C)Cc2cnc(N(C)C)nc2)c1C ZINC000302162137 534669808 /nfs/dbraw/zinc/66/98/08/534669808.db2.gz OCWWUIDJUVWJQN-UHFFFAOYSA-N 1 0 321.428 3.344 10 0 DGAERO CN1CC[C@@H]([NH2+]Cc2ccc(F)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189172710 523967985 /nfs/dbraw/zinc/96/79/85/523967985.db2.gz FGOWXCNPQKJPLV-WBVHZDCISA-N 1 0 321.346 3.034 10 0 DGAERO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccc(Cl)cc1 ZINC000157063015 525154316 /nfs/dbraw/zinc/15/43/16/525154316.db2.gz HZXCIEGBAQHGMB-YOENINGUSA-N 1 0 306.837 3.438 10 0 DGAERO C[C@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000156732042 525222712 /nfs/dbraw/zinc/22/27/12/525222712.db2.gz XKNKPXSBIHXYPA-NSHDSACASA-N 1 0 300.789 3.434 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1cccc(Cl)c1 ZINC000147933185 525276181 /nfs/dbraw/zinc/27/61/81/525276181.db2.gz IQJTVQGVPBSDAI-OYNZBZHQSA-N 1 0 306.837 3.438 10 0 DGAERO C[C@@H]1OCC[C@@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000149486972 525574925 /nfs/dbraw/zinc/57/49/25/525574925.db2.gz DVQUKNZCCFUDQO-JZURETHJSA-N 1 0 310.235 3.462 10 0 DGAERO Cc1ccc([C@H]2CCCN2C(=O)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000237664827 526005295 /nfs/dbraw/zinc/00/52/95/526005295.db2.gz KEZFTVCYKVGKIE-QZTJIDSGSA-N 1 0 312.457 3.357 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000494722343 534900702 /nfs/dbraw/zinc/90/07/02/534900702.db2.gz CYMWCIJFGRDPRW-WBVHZDCISA-N 1 0 302.462 3.343 10 0 DGAERO Fc1cc(Cl)ccc1C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000189248707 526302511 /nfs/dbraw/zinc/30/25/11/526302511.db2.gz PUDJRZHJCCHNOW-UHFFFAOYSA-N 1 0 316.767 3.350 10 0 DGAERO Brc1ccc(C[C@H]2CC[N@@H+]([C@@H]3CCOC3)C2)cc1 ZINC000292587030 526643385 /nfs/dbraw/zinc/64/33/85/526643385.db2.gz DVSBAROOUMVLCG-UKRRQHHQSA-N 1 0 310.235 3.102 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000153437007 527122444 /nfs/dbraw/zinc/12/24/44/527122444.db2.gz JFDBSTMZQFYQBO-HNNXBMFYSA-N 1 0 310.482 3.153 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000415455902 527302509 /nfs/dbraw/zinc/30/25/09/527302509.db2.gz SDTPQIAXBSCJQL-CMPLNLGQSA-N 1 0 323.824 3.134 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000415457556 527307781 /nfs/dbraw/zinc/30/77/81/527307781.db2.gz UZNVXVMLWYRUHO-ZDUSSCGKSA-N 1 0 311.813 3.038 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000415453686 527308700 /nfs/dbraw/zinc/30/87/00/527308700.db2.gz PNKJXFQWHUXMRC-NHYWBVRUSA-N 1 0 323.824 3.182 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000415453683 527309180 /nfs/dbraw/zinc/30/91/80/527309180.db2.gz PNKJXFQWHUXMRC-IAQYHMDHSA-N 1 0 323.824 3.182 10 0 DGAERO C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1nc(C2CCCC2)no1 ZINC000429716113 527491334 /nfs/dbraw/zinc/49/13/34/527491334.db2.gz JVEDEIQHXPWJLM-FVQBIDKESA-N 1 0 317.433 3.165 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000328652250 527507385 /nfs/dbraw/zinc/50/73/85/527507385.db2.gz WGNCESWMGYPPKA-QDYVCHOCSA-N 1 0 311.429 3.333 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000157545792 527587894 /nfs/dbraw/zinc/58/78/94/527587894.db2.gz AFHIUBFEEKNBCG-AWEZNQCLSA-N 1 0 322.497 3.243 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000302579045 527591977 /nfs/dbraw/zinc/59/19/77/527591977.db2.gz DPINDZUAIKNQLI-MFKMUULPSA-N 1 0 316.214 3.229 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)Nc1nc([C@@H](C)OC)ns1 ZINC000312325683 528118771 /nfs/dbraw/zinc/11/87/71/528118771.db2.gz IDEVJFWGZHKIEA-NWDGAFQWSA-N 1 0 300.472 3.168 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]Cc2cnc(C3CC3)o2)cc1OC ZINC000449707209 536527182 /nfs/dbraw/zinc/52/71/82/536527182.db2.gz PXCWRXLQWBKMHA-LBPRGKRZSA-N 1 0 316.401 3.290 10 0 DGAERO CCOc1ccccc1CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000155559868 528718781 /nfs/dbraw/zinc/71/87/81/528718781.db2.gz AQCHLCSYVSIRCG-DLBZAZTESA-N 1 0 318.461 3.042 10 0 DGAERO CCCOc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000174848929 528762599 /nfs/dbraw/zinc/76/25/99/528762599.db2.gz SMEWSCXGTHLGTA-ZBFHGGJFSA-N 1 0 319.449 3.422 10 0 DGAERO CCC[C@@H](CCO)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000159329946 528936485 /nfs/dbraw/zinc/93/64/85/528936485.db2.gz HEOYWDFGQMVKGS-NSHDSACASA-N 1 0 318.230 3.477 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCCC(C)(C)C2)CC1 ZINC000443164026 528963947 /nfs/dbraw/zinc/96/39/47/528963947.db2.gz BVQOIOCWXYHJAM-MRXNPFEDSA-N 1 0 309.498 3.376 10 0 DGAERO CCSCC[NH2+]CCOc1cccc(Br)c1 ZINC000309390092 529180623 /nfs/dbraw/zinc/18/06/23/529180623.db2.gz SCKJMNROMOBKMO-UHFFFAOYSA-N 1 0 304.253 3.171 10 0 DGAERO CC[C@@H]1CCC[N@H+](Cc2nc3oc(C)c(C)c3c(N)n2)CC1 ZINC000153960878 529298355 /nfs/dbraw/zinc/29/83/55/529298355.db2.gz KIAKBOIFEGFGFK-CYBMUJFWSA-N 1 0 302.422 3.434 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](OC)C2)[C@H]1Sc1ccccc1 ZINC000459495743 535515539 /nfs/dbraw/zinc/51/55/39/535515539.db2.gz MVEXDSDBQRRMFG-FZMABENVSA-N 1 0 321.486 3.482 10 0 DGAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)Cc1c(OC)cc(OC)cc1OC ZINC000449469880 535823765 /nfs/dbraw/zinc/82/37/65/535823765.db2.gz VNUAMYDZMZAZDC-IOASZLSFSA-N 1 0 307.434 3.422 10 0 DGAERO CCn1nncc1C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459509049 535928379 /nfs/dbraw/zinc/92/83/79/535928379.db2.gz KTNQLZYCIUWKQJ-HNNXBMFYSA-N 1 0 308.788 3.331 10 0 DGAERO CCn1nncc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000459343434 535928770 /nfs/dbraw/zinc/92/87/70/535928770.db2.gz FXDRRALEIFVKHV-LJQANCHMSA-N 1 0 306.413 3.372 10 0 DGAERO C[N@@H+]1CCC[C@H](CCNC(=O)CC/C=C/c2ccccc2)C1 ZINC000458159851 536382239 /nfs/dbraw/zinc/38/22/39/536382239.db2.gz FHNIVVRKRJRGBQ-YPHWWSSASA-N 1 0 300.446 3.328 10 0 DGAERO CC(C)CC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000053100491 545694212 /nfs/dbraw/zinc/69/42/12/545694212.db2.gz RLKVLOIGRSEYNJ-UHFFFAOYSA-N 1 0 310.869 3.383 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000075781222 545733295 /nfs/dbraw/zinc/73/32/95/545733295.db2.gz QEXMXDRIDVNVNC-KRWDZBQOSA-N 1 0 324.424 3.074 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000082336093 545774213 /nfs/dbraw/zinc/77/42/13/545774213.db2.gz QDBWCQPSXVVCCB-NSHDSACASA-N 1 0 311.223 3.038 10 0 DGAERO COC[C@](C)(CCO)[NH2+]CCCc1ccc(C(F)(F)F)cc1 ZINC000085902774 545799721 /nfs/dbraw/zinc/79/97/21/545799721.db2.gz NGKOYVNTHNPMAW-HNNXBMFYSA-N 1 0 319.367 3.015 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000089462425 545815261 /nfs/dbraw/zinc/81/52/61/545815261.db2.gz WHFIAMJAMCTXQR-JQWIXIFHSA-N 1 0 311.223 3.071 10 0 DGAERO CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000089444724 545812983 /nfs/dbraw/zinc/81/29/83/545812983.db2.gz SEZVOFMKQIUPSB-CZUORRHYSA-N 1 0 317.433 3.144 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1C(F)(F)F ZINC000089460908 545814904 /nfs/dbraw/zinc/81/49/04/545814904.db2.gz WYRDQDPSFXRSGP-JQWIXIFHSA-N 1 0 300.324 3.327 10 0 DGAERO CCCOc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000089454934 545815107 /nfs/dbraw/zinc/81/51/07/545815107.db2.gz KWASFUYTTUEYGI-WCQYABFASA-N 1 0 310.825 3.442 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1C(F)(F)F ZINC000089460906 545815208 /nfs/dbraw/zinc/81/52/08/545815208.db2.gz WYRDQDPSFXRSGP-PWSUYJOCSA-N 1 0 300.324 3.327 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000089454606 545815240 /nfs/dbraw/zinc/81/52/40/545815240.db2.gz HUDUNLAQKQUSOL-GHMZBOCLSA-N 1 0 303.793 3.202 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)s1 ZINC000090403784 545827129 /nfs/dbraw/zinc/82/71/29/545827129.db2.gz LDZOAZDERXLEPC-CZUORRHYSA-N 1 0 303.475 3.275 10 0 DGAERO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccc(Cl)cc1Cl ZINC000094293510 545859270 /nfs/dbraw/zinc/85/92/70/545859270.db2.gz ZVNHXBWHWOJYMF-SECBINFHSA-N 1 0 301.217 3.442 10 0 DGAERO CC(C)(C)c1csc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000094969958 545861429 /nfs/dbraw/zinc/86/14/29/545861429.db2.gz WZOAHQILMXEQCO-KGLIPLIRSA-N 1 0 307.507 3.405 10 0 DGAERO CN1C[C@H](Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CCC1=O ZINC000125343692 545917035 /nfs/dbraw/zinc/91/70/35/545917035.db2.gz DTROEPYNVUJYGT-LLVKDONJSA-N 1 0 323.318 3.286 10 0 DGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137111679 545984056 /nfs/dbraw/zinc/98/40/56/545984056.db2.gz HQEJAADNPDPLAS-MNOVXSKESA-N 1 0 318.642 3.496 10 0 DGAERO CC[NH+](CC)C[C@@H](C)NCc1ccc(Br)c(F)c1 ZINC000135057418 545976149 /nfs/dbraw/zinc/97/61/49/545976149.db2.gz NFKVTJUSYINLNX-LLVKDONJSA-N 1 0 317.246 3.408 10 0 DGAERO Brc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000136080160 545981124 /nfs/dbraw/zinc/98/11/24/545981124.db2.gz GOPKAIHVPYRULT-HNNXBMFYSA-N 1 0 320.234 3.310 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000136350282 545981838 /nfs/dbraw/zinc/98/18/38/545981838.db2.gz OFYNKDSXACSQSO-ZWNOBZJWSA-N 1 0 302.340 3.256 10 0 DGAERO CCc1cc(Br)ccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136494037 545982223 /nfs/dbraw/zinc/98/22/23/545982223.db2.gz LPKLUTSIPSDJDW-LBPRGKRZSA-N 1 0 313.239 3.323 10 0 DGAERO CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000151777885 545996546 /nfs/dbraw/zinc/99/65/46/545996546.db2.gz DQYVKGVOFGIFGT-PXNSSMCTSA-N 1 0 316.489 3.130 10 0 DGAERO CC[C@H](C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1)[NH+](C)C ZINC000156734857 546035865 /nfs/dbraw/zinc/03/58/65/546035865.db2.gz BYQLRKPYHGIKEL-WMLDXEAASA-N 1 0 306.450 3.239 10 0 DGAERO CC[C@@H](C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1)[NH+](C)C ZINC000156734783 546036263 /nfs/dbraw/zinc/03/62/63/546036263.db2.gz BYQLRKPYHGIKEL-YOEHRIQHSA-N 1 0 306.450 3.239 10 0 DGAERO O[C@H](CN[C@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044731 546141638 /nfs/dbraw/zinc/14/16/38/546141638.db2.gz DKHHZRMFOCPZOX-MSOLQXFVSA-N 1 0 322.880 3.228 10 0 DGAERO c1ncc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cn1 ZINC000180162920 546142507 /nfs/dbraw/zinc/14/25/07/546142507.db2.gz FUMAAJRIYZUNKW-CQSZACIVSA-N 1 0 314.458 3.192 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1cc(F)cc(F)c1 ZINC000181555015 546158211 /nfs/dbraw/zinc/15/82/11/546158211.db2.gz QNZNBQQNJNSSGB-ZDUSSCGKSA-N 1 0 318.367 3.240 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(-n2cncn2)cc1 ZINC000182112314 546162863 /nfs/dbraw/zinc/16/28/63/546162863.db2.gz KQXJNBVXQYSTDL-LBPRGKRZSA-N 1 0 313.792 3.167 10 0 DGAERO C[C@H]([NH2+]Cc1csc(Cc2ccccc2)n1)[C@H]1CCCO1 ZINC000183173694 546173459 /nfs/dbraw/zinc/17/34/59/546173459.db2.gz VAWJWKXDPIARHU-XJKSGUPXSA-N 1 0 302.443 3.391 10 0 DGAERO c1cnnc(NC2CC[NH+](Cc3cccc4cnccc43)CC2)c1 ZINC000183274659 546173680 /nfs/dbraw/zinc/17/36/80/546173680.db2.gz DVCNOJFQMLIMBT-UHFFFAOYSA-N 1 0 319.412 3.101 10 0 DGAERO CNC(=O)[C@H](NCc1nc2ccccc2c(C)c1Cl)C(C)C ZINC000183662796 546177858 /nfs/dbraw/zinc/17/78/58/546177858.db2.gz JMQHLJOSXDNVPE-MRXNPFEDSA-N 1 0 319.836 3.057 10 0 DGAERO Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CCCn1ccnn1 ZINC000184265435 546181501 /nfs/dbraw/zinc/18/15/01/546181501.db2.gz ZNHAZLNOSPNNKG-CYBMUJFWSA-N 1 0 311.216 3.252 10 0 DGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185871468 546190666 /nfs/dbraw/zinc/19/06/66/546190666.db2.gz DHHDMZODMSZRJC-DYVFJYSZSA-N 1 0 316.832 3.396 10 0 DGAERO Cc1ccc2cc(C[N@@H+]3CCC[C@H]3Cn3ccnc3)ccc2n1 ZINC000188417907 546205483 /nfs/dbraw/zinc/20/54/83/546205483.db2.gz IRFGQMFOXMKAFK-SFHVURJKSA-N 1 0 306.413 3.404 10 0 DGAERO Cc1ccc(C[C@H](CO)[NH2+]Cc2cccc3cnccc32)cc1 ZINC000188982324 546208922 /nfs/dbraw/zinc/20/89/22/546208922.db2.gz PDBNGLDCPJHZET-LJQANCHMSA-N 1 0 306.409 3.236 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)c1ccn(C)c1C)c1ccccc1 ZINC000195033278 546251053 /nfs/dbraw/zinc/25/10/53/546251053.db2.gz KFYDERKGXWQMQF-GOSISDBHSA-N 1 0 313.445 3.146 10 0 DGAERO Cc1c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)ccn1C ZINC000195225156 546252973 /nfs/dbraw/zinc/25/29/73/546252973.db2.gz QDEMPGPDMCGNIT-AWEZNQCLSA-N 1 0 313.445 3.193 10 0 DGAERO Cc1c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)ccn1C ZINC000195141088 546253135 /nfs/dbraw/zinc/25/31/35/546253135.db2.gz QBGCCVUNCDZULN-UHFFFAOYSA-N 1 0 311.429 3.224 10 0 DGAERO OC1CCC(C[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000227644770 546268613 /nfs/dbraw/zinc/26/86/13/546268613.db2.gz UEEPDTCQUXCXNA-UHFFFAOYSA-N 1 0 316.214 3.229 10 0 DGAERO CC(C)COc1ccc([C@@H](C)NC(=O)C2([NH3+])CCCC2)cc1 ZINC000236688933 546280086 /nfs/dbraw/zinc/28/00/86/546280086.db2.gz LMEZSNFQVQILBU-CQSZACIVSA-N 1 0 304.434 3.170 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1C ZINC000245759065 546299595 /nfs/dbraw/zinc/29/95/95/546299595.db2.gz PIAKNELEDLRWPZ-HKUYNNGSSA-N 1 0 303.446 3.439 10 0 DGAERO Brc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250268435 546328147 /nfs/dbraw/zinc/32/81/47/546328147.db2.gz YOTKABGRFFDVLT-GOEBONIOSA-N 1 0 323.278 3.413 10 0 DGAERO CC(C)(C)c1csc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000250373203 546328642 /nfs/dbraw/zinc/32/86/42/546328642.db2.gz WZOAHQILMXEQCO-UONOGXRCSA-N 1 0 307.507 3.405 10 0 DGAERO Clc1ccccc1OCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414098 546330871 /nfs/dbraw/zinc/33/08/71/546330871.db2.gz GSKSYABLVQQYGR-GOEBONIOSA-N 1 0 308.853 3.183 10 0 DGAERO CC[C@H]1CN(Cc2ccc(Br)c(F)c2)CC[C@H]1[NH3+] ZINC000251888175 546331240 /nfs/dbraw/zinc/33/12/40/546331240.db2.gz VUMLQGKFBCNGCM-SMDDNHRTSA-N 1 0 315.230 3.147 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000252698466 546331932 /nfs/dbraw/zinc/33/19/32/546331932.db2.gz NFDXJMQFDOAOQQ-DGCLKSJQSA-N 1 0 317.260 3.365 10 0 DGAERO C[C@@H]1CCC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000255301927 546334994 /nfs/dbraw/zinc/33/49/94/546334994.db2.gz YWIGTTCIQHWBTF-OZSLIKBDSA-N 1 0 307.482 3.127 10 0 DGAERO C[C@H]1C[C@H](C[NH2+]Cc2cscc2Br)CCO1 ZINC000285876249 546400357 /nfs/dbraw/zinc/40/03/57/546400357.db2.gz JGGPUHOEJLWTPQ-VHSXEESVSA-N 1 0 304.253 3.415 10 0 DGAERO CCCN1CCCN(c2c(C)c[nH+]c3c(C)cccc32)CC1=O ZINC000302793155 546438625 /nfs/dbraw/zinc/43/86/25/546438625.db2.gz ZOBGZCZTSGTKMV-UHFFFAOYSA-N 1 0 311.429 3.300 10 0 DGAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCOCc1ccccc1 ZINC000309786171 546450732 /nfs/dbraw/zinc/45/07/32/546450732.db2.gz GLSHPQRZLGYPLZ-IPMKNSEASA-N 1 0 303.446 3.219 10 0 DGAERO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312561475 546453072 /nfs/dbraw/zinc/45/30/72/546453072.db2.gz PAKICODMHPYXFY-QMMMGPOBSA-N 1 0 307.246 3.155 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000312368099 546453499 /nfs/dbraw/zinc/45/34/99/546453499.db2.gz ALLWNPSEAHFAFV-MEBBXXQBSA-N 1 0 312.866 3.119 10 0 DGAERO C[C@H]([NH2+]CCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)s1 ZINC000313786122 546453865 /nfs/dbraw/zinc/45/38/65/546453865.db2.gz UBHANDWITKRCMS-TUAOUCFPSA-N 1 0 302.871 3.161 10 0 DGAERO c1ccc2c(c1)OC[C@@H](C[NH2+]Cc1ccc3cnccc3c1)O2 ZINC000324052202 546478655 /nfs/dbraw/zinc/47/86/55/546478655.db2.gz ATHODHWYMSNXMB-QGZVFWFLSA-N 1 0 306.365 3.164 10 0 DGAERO CC(C)SCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381067768 546738183 /nfs/dbraw/zinc/73/81/83/546738183.db2.gz NTXOHGXJVJIKEW-AWEZNQCLSA-N 1 0 316.511 3.365 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000389848586 546753023 /nfs/dbraw/zinc/75/30/23/546753023.db2.gz SKVRRUKMANVRMS-LPTQZCDUSA-N 1 0 321.468 3.366 10 0 DGAERO CN(Cc1cccc(F)c1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390788603 546755876 /nfs/dbraw/zinc/75/58/76/546755876.db2.gz DLCHTVMGKQFUPX-KRWDZBQOSA-N 1 0 313.420 3.114 10 0 DGAERO CCc1ccc(CC[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000487309904 546918067 /nfs/dbraw/zinc/91/80/67/546918067.db2.gz CUEJNTVAGGVCFN-UHFFFAOYSA-N 1 0 322.250 3.077 10 0 DGAERO Cc1cccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1F ZINC000675055363 548149009 /nfs/dbraw/zinc/14/90/09/548149009.db2.gz ROONSBRGLIPHRP-JSGCOSHPSA-N 1 0 308.397 3.452 10 0 DGAERO Brc1ccc(-c2cnnn2[C@H]2CCC[NH2+]CC2)cc1 ZINC000725265996 549811897 /nfs/dbraw/zinc/81/18/97/549811897.db2.gz DNDLKOJSJFLFNH-ZDUSSCGKSA-N 1 0 321.222 3.022 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2ccc(F)c(F)c2)C1 ZINC000675052698 563855594 /nfs/dbraw/zinc/85/55/94/563855594.db2.gz CUDZJSOKBPNEED-FZMZJTMJSA-N 1 0 312.360 3.283 10 0 DGAERO Cc1ccc(F)c([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675054470 563861675 /nfs/dbraw/zinc/86/16/75/563861675.db2.gz NQZAITDFPRHSFZ-WFASDCNBSA-N 1 0 308.397 3.452 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c(F)c1 ZINC000675054167 563861757 /nfs/dbraw/zinc/86/17/57/563861757.db2.gz MFRUMPVIIXJDMT-WFASDCNBSA-N 1 0 308.397 3.452 10 0 DGAERO C/C(=C/C(=O)NCC[NH+](C(C)C)C(C)C)c1cccc(F)c1 ZINC000732052379 574565529 /nfs/dbraw/zinc/56/55/29/574565529.db2.gz LLRRWIOXIJFJTL-PTNGSMBKSA-N 1 0 306.425 3.464 10 0 DGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C(/C)c2cccc(F)c2)C1 ZINC000732064010 574565815 /nfs/dbraw/zinc/56/58/15/574565815.db2.gz STQNQEOUFXWHSY-LTBFUDJGSA-N 1 0 304.409 3.077 10 0 DGAERO C/C(=C/C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1cccc(F)c1 ZINC000732058920 574565817 /nfs/dbraw/zinc/56/58/17/574565817.db2.gz XHUJAIGYYVCXFV-VYEILGPVSA-N 1 0 318.436 3.466 10 0 DGAERO C/C(=C\C(=O)NCC[N@H+]1CCCC[C@H]1C)c1cccc(F)c1 ZINC000732058958 574565889 /nfs/dbraw/zinc/56/58/89/574565889.db2.gz YVWXSTOHTVIQBN-OKFGHLOFSA-N 1 0 304.409 3.220 10 0 DGAERO C/C(=C/C(=O)NCC[NH+]1CCCCCC1)c1cccc(F)c1 ZINC000732268977 574569669 /nfs/dbraw/zinc/56/96/69/574569669.db2.gz MSQLPPQLEVMZHN-SQFISAMPSA-N 1 0 304.409 3.221 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000741777879 574639651 /nfs/dbraw/zinc/63/96/51/574639651.db2.gz DNAAMAULXDFBJA-QGZVFWFLSA-N 1 0 305.418 3.073 10 0 DGAERO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1c2ccccc2n(C)c1=O ZINC000734476540 574663972 /nfs/dbraw/zinc/66/39/72/574663972.db2.gz GMTIKMSDZIOASK-NVXWUHKLSA-N 1 0 321.424 3.176 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)/C=C(\C)c2cccc(F)c2)CC1 ZINC000742098478 574980971 /nfs/dbraw/zinc/98/09/71/574980971.db2.gz OAPZNVXPMMZKED-FYWRMAATSA-N 1 0 318.436 3.467 10 0 DGAERO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000742368536 574992845 /nfs/dbraw/zinc/99/28/45/574992845.db2.gz CGXOLSXJTQSUBX-LBPRGKRZSA-N 1 0 315.442 3.429 10 0 DGAERO C/C(=C\C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C(C)(C)C ZINC000742680596 575012148 /nfs/dbraw/zinc/01/21/48/575012148.db2.gz SJZPEIQHEXMEIO-UKTHLTGXSA-N 1 0 306.425 3.496 10 0 DGAERO c1ccc(CN2CCC([NH2+]Cc3cccc4c3NCC4)CC2)cc1 ZINC000261537577 575246253 /nfs/dbraw/zinc/24/62/53/575246253.db2.gz ORIGGZUYJHDULV-UHFFFAOYSA-N 1 0 321.468 3.409 10 0 DGAERO C[C@@H]([NH2+]C1CC(c2cccc(Br)c2)C1)C(C)(C)O ZINC000393960265 575936140 /nfs/dbraw/zinc/93/61/40/575936140.db2.gz DCIVUMIYWUFXPK-PWQPVHBWSA-N 1 0 312.251 3.444 10 0 DGAERO C/C(=C\C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000727095274 576106771 /nfs/dbraw/zinc/10/67/71/576106771.db2.gz DFDMUFSGHVBDMA-SDNWHVSQSA-N 1 0 304.353 3.309 10 0 DGAERO C[C@](O)(C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1)c1ccccc1 ZINC000121272933 617941637 /nfs/dbraw/zinc/94/16/37/617941637.db2.gz LZUXUKFVTPMMJV-VQTJNVASSA-N 1 0 311.425 3.142 10 0 DGAERO Oc1cccc2sc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cc21 ZINC000894004538 618693005 /nfs/dbraw/zinc/69/30/05/618693005.db2.gz SXCZNTSPIAWLJU-LBPRGKRZSA-N 1 0 314.414 3.036 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)CSC(C)(C)C)CC1 ZINC000150924456 620404459 /nfs/dbraw/zinc/40/44/59/620404459.db2.gz FCKIXBZCLCEJCP-ZDUSSCGKSA-N 1 0 300.512 3.143 10 0 DGAERO COc1cc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)ccc1F ZINC000153846627 620617219 /nfs/dbraw/zinc/61/72/19/620617219.db2.gz IUCFQMDJKARHSJ-YBTHPKLGSA-N 1 0 301.427 3.032 10 0 DGAERO COc1cccc([C@H]2C[N@H+](CCc3cccs3)CCO2)c1 ZINC000119338208 621649322 /nfs/dbraw/zinc/64/93/22/621649322.db2.gz LPIZMVXYWUSNTI-QGZVFWFLSA-N 1 0 303.427 3.373 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cccnc1Cl ZINC000120574840 621929861 /nfs/dbraw/zinc/92/98/61/621929861.db2.gz JHWCKJOGZKVBTJ-GHMZBOCLSA-N 1 0 306.841 3.367 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnc(Cl)c(C)c2)[C@H](C)C1 ZINC000120945298 622059915 /nfs/dbraw/zinc/05/99/15/622059915.db2.gz PMHKQZVWJAXZTJ-OCCSQVGLSA-N 1 0 324.856 3.237 10 0 DGAERO CCOC(C[NH+]1CCC(Cc2ccc(OC)cc2)CC1)OCC ZINC000124038183 622882631 /nfs/dbraw/zinc/88/26/31/622882631.db2.gz CYTULYCTQIUDRG-UHFFFAOYSA-N 1 0 321.461 3.349 10 0 DGAERO C[N@H+](Cc1cc(Cl)nc2ccccc12)C1(C(N)=O)CCCC1 ZINC000129442775 625639536 /nfs/dbraw/zinc/63/95/36/625639536.db2.gz BKRGCCMJAXDRNL-UHFFFAOYSA-N 1 0 317.820 3.118 10 0 DGAERO CC(=O)CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000125783297 623551417 /nfs/dbraw/zinc/55/14/17/623551417.db2.gz IGPMADORMMLQDD-UHFFFAOYSA-N 1 0 320.436 3.353 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cccc2ccccc21 ZINC000126781985 624086476 /nfs/dbraw/zinc/08/64/76/624086476.db2.gz QARDVXAQZVFIGZ-ZFWWWQNUSA-N 1 0 303.427 3.068 10 0 DGAERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000126798632 624090896 /nfs/dbraw/zinc/09/08/96/624090896.db2.gz AHUZQTZJUBOIGZ-YOEHRIQHSA-N 1 0 309.475 3.113 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000126798842 624092309 /nfs/dbraw/zinc/09/23/09/624092309.db2.gz AHUZQTZJUBOIGZ-RHSMWYFYSA-N 1 0 309.475 3.113 10 0 DGAERO Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)n1 ZINC000127309268 624350092 /nfs/dbraw/zinc/35/00/92/624350092.db2.gz VWKUGWKXGUUUQE-HNNXBMFYSA-N 1 0 309.413 3.368 10 0 DGAERO CN(Cc1ccccc1)c1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000130512220 625864344 /nfs/dbraw/zinc/86/43/44/625864344.db2.gz CWZPWQWRUXKEDH-QGZVFWFLSA-N 1 0 323.440 3.261 10 0 DGAERO Cc1cncc(C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000132096735 626699193 /nfs/dbraw/zinc/69/91/93/626699193.db2.gz UBWDSJRAIALXCD-UHFFFAOYSA-N 1 0 324.424 3.459 10 0 DGAERO Cc1cc(C[C@@H]([NH3+])C2CN(C(=O)OC(C)(C)C)C2)ccc1Cl ZINC000757156110 626751660 /nfs/dbraw/zinc/75/16/60/626751660.db2.gz HQHRFMDPISVZJB-OAHLLOKOSA-N 1 0 324.852 3.385 10 0 DGAERO CC(C)(C)OC(=O)N1CCc2cc(C[NH2+]C3CC3)ccc2C1 ZINC000757137111 626751717 /nfs/dbraw/zinc/75/17/17/626751717.db2.gz VYRHILUINGKVPT-UHFFFAOYSA-N 1 0 302.418 3.232 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@@H](C(F)(F)F)C2 ZINC000757187436 626754022 /nfs/dbraw/zinc/75/40/22/626754022.db2.gz ZSBOPRBBDJQJHZ-UHIISALHSA-N 1 0 307.356 3.286 10 0 DGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000219406032 627146871 /nfs/dbraw/zinc/14/68/71/627146871.db2.gz LXGGPSYFANAKBZ-HUUCEWRRSA-N 1 0 310.438 3.058 10 0 DGAERO CCOc1cccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000221045720 627213293 /nfs/dbraw/zinc/21/32/93/627213293.db2.gz IOSZMWNXJRUHQG-UHFFFAOYSA-N 1 0 322.449 3.478 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000300800030 627281698 /nfs/dbraw/zinc/28/16/98/627281698.db2.gz AGTODIXCXLELNO-UONOGXRCSA-N 1 0 314.470 3.179 10 0 DGAERO C[C@@H]([NH3+])CCc1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000104054695 630376729 /nfs/dbraw/zinc/37/67/29/630376729.db2.gz QJLDPTPPBLQXFC-MRVPVSSYSA-N 1 0 300.189 3.247 10 0 DGAERO CC[C@@H]([NH2+]CCC(=O)OCc1ccccc1)c1nccs1 ZINC000185083115 660200851 /nfs/dbraw/zinc/20/08/51/660200851.db2.gz BJABMANOWSHXBO-CQSZACIVSA-N 1 0 304.415 3.317 10 0 DGAERO C[C@@H](NCc1cscn1)c1cc(Br)ccc1O ZINC000185246302 660211498 /nfs/dbraw/zinc/21/14/98/660211498.db2.gz TVPFOSJOZGTOFA-MRVPVSSYSA-N 1 0 313.220 3.462 10 0 DGAERO O=C(C[N@@H+]1CCC2(CCCC2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000173820958 659402323 /nfs/dbraw/zinc/40/23/23/659402323.db2.gz SYFFYNLUCAKFID-CYBMUJFWSA-N 1 0 318.383 3.053 10 0 DGAERO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ncc(Br)s2)C1 ZINC000721277660 659915898 /nfs/dbraw/zinc/91/58/98/659915898.db2.gz YQWRZGBPLQGJAV-ZJUUUORDSA-N 1 0 319.268 3.343 10 0 DGAERO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCCN1CCOC1=O ZINC000186150011 660270498 /nfs/dbraw/zinc/27/04/98/660270498.db2.gz ILHHTQCUUAWAAD-INIZCTEOSA-N 1 0 302.418 3.113 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CSC2)CC(C)(C)C1 ZINC000700025050 660609888 /nfs/dbraw/zinc/60/98/88/660609888.db2.gz SSHIQZKHCCFIRF-GFCCVEGCSA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)(C)OC(=O)NCCCCCC[NH2+][C@@H]1CCOC1(C)C ZINC000700464062 660627612 /nfs/dbraw/zinc/62/76/12/660627612.db2.gz HZVICIAKENTOSH-CQSZACIVSA-N 1 0 314.470 3.229 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccn1 ZINC000700729793 660631802 /nfs/dbraw/zinc/63/18/02/660631802.db2.gz BBNRDIDDAPRIOZ-VNHYZAJKSA-N 1 0 305.422 3.130 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)C1(Cl)CC1 ZINC000700745792 660634464 /nfs/dbraw/zinc/63/44/64/660634464.db2.gz WXCYAJUSEGOLRB-SDDRHHMPSA-N 1 0 302.846 3.134 10 0 DGAERO Cc1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)c(Cl)n1 ZINC000701113672 660654419 /nfs/dbraw/zinc/65/44/19/660654419.db2.gz BHPSDKGKUAFDRF-UHFFFAOYSA-N 1 0 317.820 3.035 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000701934615 660692916 /nfs/dbraw/zinc/69/29/16/660692916.db2.gz HXJCBGIJWXZPQC-VXGBXAGGSA-N 1 0 304.381 3.021 10 0 DGAERO C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)CN1C(=O)OC(C)(C)C ZINC000701953797 660693569 /nfs/dbraw/zinc/69/35/69/660693569.db2.gz ZGTPLPBZZASBFD-JHJVBQTASA-N 1 0 318.408 3.409 10 0 DGAERO CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702112670 660708494 /nfs/dbraw/zinc/70/84/94/660708494.db2.gz ZGCJUCNYTMXIER-QFBILLFUSA-N 1 0 300.446 3.013 10 0 DGAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc(CCC(C)(C)C)no1 ZINC000702210992 660714152 /nfs/dbraw/zinc/71/41/52/660714152.db2.gz ZTUGNIBNEHUPNA-OAHLLOKOSA-N 1 0 316.449 3.180 10 0 DGAERO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988305 660752252 /nfs/dbraw/zinc/75/22/52/660752252.db2.gz MFEDBZHZOQSAHF-VHBXLISGSA-N 1 0 316.489 3.180 10 0 DGAERO CC1(O)CCC([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000703018232 660755445 /nfs/dbraw/zinc/75/54/45/660755445.db2.gz RDZPSWKCKIWIFP-GPJFCIFZSA-N 1 0 316.489 3.324 10 0 DGAERO COC1CC(C[N@H+](C)Cc2cc(Br)cs2)C1 ZINC000703337520 660777473 /nfs/dbraw/zinc/77/74/73/660777473.db2.gz PLTIGRDAIYQEQJ-UHFFFAOYSA-N 1 0 304.253 3.367 10 0 DGAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC[C@@H]1CCSC1 ZINC000704796018 660818505 /nfs/dbraw/zinc/81/85/05/660818505.db2.gz HLELKDBEIGHYRO-GFCCVEGCSA-N 1 0 302.484 3.023 10 0 DGAERO Brc1ccc(C[NH2+]CC[C@@H]2CCSC2)nc1 ZINC000704847308 660822809 /nfs/dbraw/zinc/82/28/09/660822809.db2.gz UEAWCLTWGNGQHQ-SNVBAGLBSA-N 1 0 301.253 3.077 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCSC2)C1 ZINC000704892448 660825507 /nfs/dbraw/zinc/82/55/07/660825507.db2.gz VWTWAPKZZVIUJN-KGLIPLIRSA-N 1 0 314.495 3.119 10 0 DGAERO C[C@@H]1C[C@H]1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000705191206 660836592 /nfs/dbraw/zinc/83/65/92/660836592.db2.gz IDIHDKFROYYXGA-KBMXLJTQSA-N 1 0 304.434 3.498 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000705191204 660836936 /nfs/dbraw/zinc/83/69/36/660836936.db2.gz IDIHDKFROYYXGA-FVQBIDKESA-N 1 0 304.434 3.498 10 0 DGAERO Cc1ncccc1C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000705562718 660837729 /nfs/dbraw/zinc/83/77/29/660837729.db2.gz QGLTVZJLSOIORS-HOTGVXAUSA-N 1 0 319.449 3.173 10 0 DGAERO C[NH+](C)C1(CNc2nc3cc(Br)ccc3o2)CC1 ZINC000705931864 660839662 /nfs/dbraw/zinc/83/96/62/660839662.db2.gz WUWNSEKSBTWHED-UHFFFAOYSA-N 1 0 310.195 3.096 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000706476495 660860069 /nfs/dbraw/zinc/86/00/69/660860069.db2.gz KWOIQCJTEHOLCH-XDQVBPFNSA-N 1 0 314.495 3.258 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000706560464 660865770 /nfs/dbraw/zinc/86/57/70/660865770.db2.gz PPKXELIESAJDJW-HZSPNIEDSA-N 1 0 314.495 3.260 10 0 DGAERO C[C@@H]1[C@H]([NH2+]CC[C@@H]2CC2(F)F)CCCN1C(=O)OC(C)(C)C ZINC000706512988 660861956 /nfs/dbraw/zinc/86/19/56/660861956.db2.gz PJDYSWSHHVHHFD-JHJVBQTASA-N 1 0 318.408 3.409 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)C2 ZINC000707899137 660915352 /nfs/dbraw/zinc/91/53/52/660915352.db2.gz HMIOZHGCJGZUDL-AVGNSLFASA-N 1 0 318.408 3.409 10 0 DGAERO C[C@@H]1CN(C(=O)c2sc3ccccc3c2Cl)C[C@H]1C[NH3+] ZINC000708872283 660923749 /nfs/dbraw/zinc/92/37/49/660923749.db2.gz WSVMTXHVWGZMPE-NXEZZACHSA-N 1 0 308.834 3.222 10 0 DGAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000708599349 660924420 /nfs/dbraw/zinc/92/44/20/660924420.db2.gz RGEZQMUOKWSSDQ-WCQYABFASA-N 1 0 317.260 3.101 10 0 DGAERO Fc1cc(C[NH2+]CCOC2CCC2)ccc1Br ZINC000709840859 660931157 /nfs/dbraw/zinc/93/11/57/660931157.db2.gz CAXKDEXNBXIXHU-UHFFFAOYSA-N 1 0 302.187 3.247 10 0 DGAERO O=C(N1C[C@H]([NH2+]C2CCCC2)Cc2ccccc21)C(F)(F)F ZINC000710038493 660932215 /nfs/dbraw/zinc/93/22/15/660932215.db2.gz ZWMFLQLYBIGPLO-CYBMUJFWSA-N 1 0 312.335 3.039 10 0 DGAERO C[C@H](c1ccccc1Cl)N1CCc2sc(C[NH3+])nc2C1 ZINC000710241000 660932855 /nfs/dbraw/zinc/93/28/55/660932855.db2.gz SGNIOPXLHZJALB-SNVBAGLBSA-N 1 0 307.850 3.375 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000711436333 660951906 /nfs/dbraw/zinc/95/19/06/660951906.db2.gz AWBBSXATQYAYFY-CXQJBGSLSA-N 1 0 304.381 3.067 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2COC3(CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000711201195 660941353 /nfs/dbraw/zinc/94/13/53/660941353.db2.gz KINRQRVNTBZQBN-KFWWJZLASA-N 1 0 324.465 3.076 10 0 DGAERO Cc1cc(C)c(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC000711458938 660953951 /nfs/dbraw/zinc/95/39/51/660953951.db2.gz IYMZZNXCABZZCS-FZNQNYSPSA-N 1 0 319.449 3.091 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@]23C[C@H]2CCCC3)C1 ZINC000711477080 660953990 /nfs/dbraw/zinc/95/39/90/660953990.db2.gz CTXOKXIRNOMJGS-BSXFFOKHSA-N 1 0 308.466 3.460 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000711456732 660954010 /nfs/dbraw/zinc/95/40/10/660954010.db2.gz QNWFVAKPUDKBSY-UHFFFAOYSA-N 1 0 308.397 3.219 10 0 DGAERO CC(C)(C[NH2+][C@H](C1CCC1)C1CCCC1)CS(C)(=O)=O ZINC000711843510 660964248 /nfs/dbraw/zinc/96/42/48/660964248.db2.gz VXPXWSXSICXVNO-HNNXBMFYSA-N 1 0 301.496 3.006 10 0 DGAERO CSC(C)(C)C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711494548 660955180 /nfs/dbraw/zinc/95/51/80/660955180.db2.gz YPVNUAPZPMXHCJ-UHFFFAOYSA-N 1 0 302.484 3.021 10 0 DGAERO C[C@@H]1CC[C@H]([NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CS1 ZINC000711489038 660955228 /nfs/dbraw/zinc/95/52/28/660955228.db2.gz CWHFXFHGVAEJLY-ZIHBUVQPSA-N 1 0 314.495 3.163 10 0 DGAERO Cc1ccc([C@@H]([NH2+]CCCN2CCOC2=O)C2CCC2)cc1 ZINC000187153167 660960439 /nfs/dbraw/zinc/96/04/39/660960439.db2.gz LYJNIILHVWDREE-KRWDZBQOSA-N 1 0 302.418 3.268 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cncs3)CCC[C@@H]12 ZINC000711651010 660961023 /nfs/dbraw/zinc/96/10/23/660961023.db2.gz QLNRTVLDYDKKJA-CZUORRHYSA-N 1 0 323.462 3.165 10 0 DGAERO Cc1cc(C[NH2+][C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)on1 ZINC000711642467 660961102 /nfs/dbraw/zinc/96/11/02/660961102.db2.gz VORXQSOMYXCVAX-RHSMWYFYSA-N 1 0 321.421 3.005 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2)[C@@H]1c1ccccc1 ZINC000254945582 655547230 /nfs/dbraw/zinc/54/72/30/655547230.db2.gz RCNRFGHXDRTGOK-MFTGZBNMSA-N 1 0 306.409 3.261 10 0 DGAERO O[C@H](CC[N@@H+]1CCS[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000721411412 655582170 /nfs/dbraw/zinc/58/21/70/655582170.db2.gz OVOULXMHGZYPGB-OLZOCXBDSA-N 1 0 305.365 3.090 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000036954894 655585246 /nfs/dbraw/zinc/58/52/46/655585246.db2.gz JTVYRNVCFMLRRM-VXGBXAGGSA-N 1 0 324.471 3.116 10 0 DGAERO COc1ccc(OC)c([C@H](C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000261847922 655676345 /nfs/dbraw/zinc/67/63/45/655676345.db2.gz JGAVDKYMFOLYOU-RZAIGCCYSA-N 1 0 312.413 3.499 10 0 DGAERO C[C@H]1C[C@H]([NH2+]CC[C@@H]2CC(=O)N(C)C2)c2ccsc2S1 ZINC000723555528 655699262 /nfs/dbraw/zinc/69/92/62/655699262.db2.gz JWFFHNCPUXVESZ-LOWVWBTDSA-N 1 0 310.488 3.132 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000255396693 655729883 /nfs/dbraw/zinc/72/98/83/655729883.db2.gz CCIRSFGJTSDEHN-XFNCEPBJSA-N 1 0 304.409 3.077 10 0 DGAERO CC[C@H]([NH2+]Cc1ncccc1Br)[C@@H]1CCCOC1 ZINC000724004726 655735325 /nfs/dbraw/zinc/73/53/25/655735325.db2.gz VMZNOROZEFZUFX-YPMHNXCESA-N 1 0 313.239 3.139 10 0 DGAERO CC[C@H]([NH2+]Cc1occc1Br)[C@@H]1CCCOC1 ZINC000724015516 655736974 /nfs/dbraw/zinc/73/69/74/655736974.db2.gz VGBWMYHFDPUGBO-PWSUYJOCSA-N 1 0 302.212 3.337 10 0 DGAERO CCC(F)(F)C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724050360 655739078 /nfs/dbraw/zinc/73/90/78/655739078.db2.gz WLRISWGVVPCQKO-VXGBXAGGSA-N 1 0 306.397 3.315 10 0 DGAERO C[C@](O)(C[NH2+][C@H]1CCCC2(CC2)C1)C(F)(F)C(F)(F)F ZINC000724078081 655740260 /nfs/dbraw/zinc/74/02/60/655740260.db2.gz KDVHFUPOUTZHAT-UWVGGRQHSA-N 1 0 301.299 3.247 10 0 DGAERO C[C@@](O)(C[NH2+]C[C@H]1CCCC12CC2)C(F)(F)C(F)(F)F ZINC000724112558 655743057 /nfs/dbraw/zinc/74/30/57/655743057.db2.gz YRAXHJIJDGSNFN-NXEZZACHSA-N 1 0 301.299 3.105 10 0 DGAERO C[C@](O)(C[NH2+]CC1(C2CC2)CCC1)C(F)(F)C(F)(F)F ZINC000724114603 655743933 /nfs/dbraw/zinc/74/39/33/655743933.db2.gz NSJNSJMZHYIRSG-JTQLQIEISA-N 1 0 301.299 3.105 10 0 DGAERO COC(OC)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000234599457 655745354 /nfs/dbraw/zinc/74/53/54/655745354.db2.gz ZBHMVRVJHDZZLH-NOZJJQNGSA-N 1 0 314.223 3.033 10 0 DGAERO OC1(C[NH+]2CCN(c3ccccc3Cl)CC2)CCCCC1 ZINC000065167206 655745372 /nfs/dbraw/zinc/74/53/72/655745372.db2.gz DTOZADRYKAMSOB-UHFFFAOYSA-N 1 0 308.853 3.157 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\Sc2ccccc2)[C@H](C)C1 ZINC000255446455 655753282 /nfs/dbraw/zinc/75/32/82/655753282.db2.gz XEOFMGJUMXJDTO-WEGGENQUSA-N 1 0 318.486 3.481 10 0 DGAERO O=C(/C=C\c1ccc(Cl)s1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000255504826 655775178 /nfs/dbraw/zinc/77/51/78/655775178.db2.gz YMINEHLRGOUDFH-SMYYYNMVSA-N 1 0 310.850 3.111 10 0 DGAERO COc1ccccc1/C=C\C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000255510906 655782317 /nfs/dbraw/zinc/78/23/17/655782317.db2.gz OJHCGLWPHVONOX-CTEOGUNLSA-N 1 0 303.427 3.267 10 0 DGAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712477130 661188702 /nfs/dbraw/zinc/18/87/02/661188702.db2.gz RUWTYVBSVFQJGY-ZYHUDNBSSA-N 1 0 300.244 3.241 10 0 DGAERO Cn1cc(C[N@@H+]2CCC3(C2)CCCCC3)c(Br)n1 ZINC000713878798 661193900 /nfs/dbraw/zinc/19/39/00/661193900.db2.gz BMWHMBDGLNQPDC-UHFFFAOYSA-N 1 0 312.255 3.339 10 0 DGAERO COCC1CC([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000713918154 661194522 /nfs/dbraw/zinc/19/45/22/661194522.db2.gz SMIMZRYAZSXOIA-KHXKVGHRSA-N 1 0 310.235 3.451 10 0 DGAERO CN(CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C(=O)OC(C)(C)C ZINC000721571998 655852533 /nfs/dbraw/zinc/85/25/33/655852533.db2.gz SFQWPJXIXXEVPF-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO OCC[C@@H]([NH2+]Cc1occc1Br)C1CCCC1 ZINC000725086745 655854261 /nfs/dbraw/zinc/85/42/61/655854261.db2.gz ASGRDDINACRGEK-GFCCVEGCSA-N 1 0 302.212 3.073 10 0 DGAERO CCC1(CC)CC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000713860630 661195107 /nfs/dbraw/zinc/19/51/07/661195107.db2.gz RNRXSLLZRJSVJP-UHFFFAOYSA-N 1 0 300.244 3.195 10 0 DGAERO COCC1CC([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000713977820 661195391 /nfs/dbraw/zinc/19/53/91/661195391.db2.gz LUVLSECYDWGVPO-UHFFFAOYSA-N 1 0 302.187 3.103 10 0 DGAERO COCC1CC([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000713980067 661195739 /nfs/dbraw/zinc/19/57/39/661195739.db2.gz ZJGHWHXVLLJVLS-UHFFFAOYSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1noc([C@@H]2CC[C@H](C[NH2+]Cc3cc(Cl)cs3)O2)n1 ZINC000278827848 655870064 /nfs/dbraw/zinc/87/00/64/655870064.db2.gz UQSIRQQMRFUFNV-PWSUYJOCSA-N 1 0 313.810 3.103 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1F ZINC000309685654 655875811 /nfs/dbraw/zinc/87/58/11/655875811.db2.gz MGJMHSRMOWGXHV-PLNGDYQASA-N 1 0 312.360 3.135 10 0 DGAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@]1(C)CCCS1 ZINC000309709821 655877124 /nfs/dbraw/zinc/87/71/24/655877124.db2.gz JLEVPBUMVZXFIH-WFASDCNBSA-N 1 0 302.484 3.023 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc2ccccc2s1 ZINC000714252991 661198217 /nfs/dbraw/zinc/19/82/17/661198217.db2.gz OAYSHKLRHAKYKH-DRZSPHRISA-N 1 0 309.456 3.128 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(F)cc1Cl ZINC000714368201 661199380 /nfs/dbraw/zinc/19/93/80/661199380.db2.gz YSFHRBCPISCESR-CMPLNLGQSA-N 1 0 319.829 3.097 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(F)c(Cl)c1 ZINC000714367501 661199446 /nfs/dbraw/zinc/19/94/46/661199446.db2.gz TXXMEADJZPHWTG-JQWIXIFHSA-N 1 0 319.829 3.097 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)c2ccc(-c3ccccc3)n2C)C[N@@H+]1C1CC1 ZINC000177051043 655890792 /nfs/dbraw/zinc/89/07/92/655890792.db2.gz HACKLDMVCDBRIC-GOEBONIOSA-N 1 0 323.440 3.047 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000714699678 661202450 /nfs/dbraw/zinc/20/24/50/661202450.db2.gz KOWRCMLLKUZRSI-XYPYZODXSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1cncc(/C=C\C(=O)OCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000255848516 655914707 /nfs/dbraw/zinc/91/47/07/655914707.db2.gz YYQLBPFQAONDHE-KTKRTIGZSA-N 1 0 324.424 3.469 10 0 DGAERO C=CCn1c(C)nn(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)c1=S ZINC000065944414 655920592 /nfs/dbraw/zinc/92/05/92/655920592.db2.gz ZIVQBZIVCSHEFK-PJPHBNEVSA-N 1 0 318.490 3.377 10 0 DGAERO C[C@H]1C[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000235690125 655923245 /nfs/dbraw/zinc/92/32/45/655923245.db2.gz XLKIWEGLRLWMIT-JQWIXIFHSA-N 1 0 315.244 3.040 10 0 DGAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000052792542 655948867 /nfs/dbraw/zinc/94/88/67/655948867.db2.gz QREOJNDEUIMKFZ-OAHLLOKOSA-N 1 0 308.447 3.024 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000177929796 655950502 /nfs/dbraw/zinc/95/05/02/655950502.db2.gz LGUJGQVZHJPWFX-STQMWFEESA-N 1 0 313.445 3.254 10 0 DGAERO CO[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000309369289 655958873 /nfs/dbraw/zinc/95/88/73/655958873.db2.gz PCCLPDCWRSLFTF-MNOVXSKESA-N 1 0 304.253 3.210 10 0 DGAERO CO[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000309369292 655958743 /nfs/dbraw/zinc/95/87/43/655958743.db2.gz PCCLPDCWRSLFTF-QWRGUYRKSA-N 1 0 304.253 3.210 10 0 DGAERO CCc1ccc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)o1 ZINC000715068164 661207621 /nfs/dbraw/zinc/20/76/21/661207621.db2.gz VSCYUKZPERDMNP-UHFFFAOYSA-N 1 0 308.422 3.235 10 0 DGAERO C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1cc2ccccc2s1 ZINC000715239033 661209028 /nfs/dbraw/zinc/20/90/28/661209028.db2.gz OAYSHKLRHAKYKH-QFWMXSHPSA-N 1 0 309.456 3.128 10 0 DGAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cncs1 ZINC000715151668 661209147 /nfs/dbraw/zinc/20/91/47/661209147.db2.gz FTEFYTPAZHUCCJ-UNXYVOJBSA-N 1 0 311.451 3.097 10 0 DGAERO C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccns1 ZINC000716021751 661216837 /nfs/dbraw/zinc/21/68/37/661216837.db2.gz QESIUWSRORTIPH-LLVKDONJSA-N 1 0 311.451 3.193 10 0 DGAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccns1 ZINC000716034641 661216849 /nfs/dbraw/zinc/21/68/49/661216849.db2.gz RQICOGCEYRZHAN-VOMCLLRMSA-N 1 0 311.451 3.097 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)ccc1F ZINC000715974850 661217498 /nfs/dbraw/zinc/21/74/98/661217498.db2.gz GFSMOLFFKJPDQI-CHWSQXEVSA-N 1 0 311.397 3.274 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccns1 ZINC000715996193 661217823 /nfs/dbraw/zinc/21/78/23/661217823.db2.gz UUEYICGPCDOGLR-VXGBXAGGSA-N 1 0 311.451 3.193 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccns1 ZINC000715991406 661217895 /nfs/dbraw/zinc/21/78/95/661217895.db2.gz CXEBKUXPNLFLKT-VXGBXAGGSA-N 1 0 311.451 3.193 10 0 DGAERO COC(OC)[C@@H](C)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000309824890 656063137 /nfs/dbraw/zinc/06/31/37/656063137.db2.gz QMPMEFUKHPMWEK-OAHLLOKOSA-N 1 0 315.413 3.363 10 0 DGAERO CC(C)[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000716143817 661218945 /nfs/dbraw/zinc/21/89/45/661218945.db2.gz WHEXADUWFLZGCP-NRXISQOPSA-N 1 0 315.866 3.202 10 0 DGAERO c1ccc(COC2CC([NH2+]C[C@H]3CSCCS3)C2)cc1 ZINC000716240057 661220157 /nfs/dbraw/zinc/22/01/57/661220157.db2.gz CPGSTIMBLQYRAH-GPANFISMSA-N 1 0 309.500 3.172 10 0 DGAERO Cc1nnc(C[NH2+]CCc2ccc(Cl)c(Cl)c2)s1 ZINC000716356512 661221914 /nfs/dbraw/zinc/22/19/14/661221914.db2.gz RDBIWVBMHXUKIJ-UHFFFAOYSA-N 1 0 302.230 3.486 10 0 DGAERO Brc1ccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)o1 ZINC000716353169 661221958 /nfs/dbraw/zinc/22/19/58/661221958.db2.gz NEQDNSPLEUOIKQ-LLVKDONJSA-N 1 0 314.223 3.481 10 0 DGAERO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)CCO1 ZINC000309875945 656092696 /nfs/dbraw/zinc/09/26/96/656092696.db2.gz VVUOZTXOQSSDIL-KKUMJFAQSA-N 1 0 314.470 3.035 10 0 DGAERO C[C@@H]([NH2+]CC1CCSCC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000309897650 656098422 /nfs/dbraw/zinc/09/84/22/656098422.db2.gz OCVYNUOXPFUHJP-NEPJUHHUSA-N 1 0 302.484 3.021 10 0 DGAERO COc1ccc(C[NH2+]Cc2[nH]nc(C)c2C)cc1Br ZINC000716460949 661224224 /nfs/dbraw/zinc/22/42/24/661224224.db2.gz ZIGZISMRJMXTML-UHFFFAOYSA-N 1 0 324.222 3.087 10 0 DGAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716620429 661224883 /nfs/dbraw/zinc/22/48/83/661224883.db2.gz BBAQGURIIJPHTJ-BFJAYTPKSA-N 1 0 308.466 3.268 10 0 DGAERO CO[C@H](C)CCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183290988 656111843 /nfs/dbraw/zinc/11/18/43/656111843.db2.gz ZNGOAOIVSFFMKH-SJLPKXTDSA-N 1 0 319.445 3.257 10 0 DGAERO CCc1nn(C)cc1N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716671368 661225943 /nfs/dbraw/zinc/22/59/43/661225943.db2.gz QWGXYYCHZIDWDU-BZSNNMDCSA-N 1 0 324.472 3.448 10 0 DGAERO CC(C)OC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310028459 656134253 /nfs/dbraw/zinc/13/42/53/656134253.db2.gz WNNZPSZOXNIBSW-KRWDZBQOSA-N 1 0 304.434 3.423 10 0 DGAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000716862486 661230141 /nfs/dbraw/zinc/23/01/41/661230141.db2.gz SRYUIBGHRHBREP-TVQRCGJNSA-N 1 0 304.203 3.227 10 0 DGAERO CCOc1cc(C[N@H+](C)CCC(C)=O)ccc1OC(F)F ZINC000125418498 656156102 /nfs/dbraw/zinc/15/61/02/656156102.db2.gz OYWUTKDTUURULQ-UHFFFAOYSA-N 1 0 301.333 3.098 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000123769455 656183389 /nfs/dbraw/zinc/18/33/89/656183389.db2.gz DLDZSZVEXJSCFZ-OAHLLOKOSA-N 1 0 316.445 3.249 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000053674275 656196656 /nfs/dbraw/zinc/19/66/56/656196656.db2.gz IXQSIFXZMRXTID-CVEARBPZSA-N 1 0 303.789 3.487 10 0 DGAERO COc1cc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)ccc1C ZINC000194295521 656199795 /nfs/dbraw/zinc/19/97/95/656199795.db2.gz TXUMGOQPWXOPQD-CQSZACIVSA-N 1 0 322.449 3.397 10 0 DGAERO C[C@@H](CNC(=O)CSC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025940427 656218690 /nfs/dbraw/zinc/21/86/90/656218690.db2.gz MRXDSCRQQXAIJJ-AWEZNQCLSA-N 1 0 320.502 3.081 10 0 DGAERO CCOC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000299993983 656231448 /nfs/dbraw/zinc/23/14/48/656231448.db2.gz YFCXVCUGDPNVHK-SOUVJXGZSA-N 1 0 314.470 3.179 10 0 DGAERO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717093619 661247444 /nfs/dbraw/zinc/24/74/44/661247444.db2.gz IKOAVMXRDPWVES-AGIUHOORSA-N 1 0 318.408 3.124 10 0 DGAERO [NH3+][C@@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000717153421 661255762 /nfs/dbraw/zinc/25/57/62/661255762.db2.gz LWGWVSCNLYPIGP-BXKDBHETSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@@H]1CN(Cc2ccc(F)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000717147332 661255792 /nfs/dbraw/zinc/25/57/92/661255792.db2.gz GTRNSVOGYGPLIK-CMPLNLGQSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@H]1CN(Cc2cc(F)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000717149654 661255832 /nfs/dbraw/zinc/25/58/32/661255832.db2.gz LEQNGELRYBVQGJ-RYUDHWBXSA-N 1 0 310.722 3.191 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000125614904 656378027 /nfs/dbraw/zinc/37/80/27/656378027.db2.gz GHRJSYSWDSBMLT-AWEZNQCLSA-N 1 0 318.808 3.159 10 0 DGAERO CN(CCCCCC[NH3+])C(=O)c1cscc1C(F)(F)F ZINC000717209609 661256852 /nfs/dbraw/zinc/25/68/52/661256852.db2.gz XGCOVLPGLBNFDM-UHFFFAOYSA-N 1 0 308.369 3.358 10 0 DGAERO c1cc(C2OCCO2)ccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723650181 656498034 /nfs/dbraw/zinc/49/80/34/656498034.db2.gz KUFLCTGHOANTGI-KZNAEPCWSA-N 1 0 317.429 3.027 10 0 DGAERO c1cc(C2OCCO2)ccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723650182 656498391 /nfs/dbraw/zinc/49/83/91/656498391.db2.gz KUFLCTGHOANTGI-OKZBNKHCSA-N 1 0 317.429 3.027 10 0 DGAERO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000723954209 656504871 /nfs/dbraw/zinc/50/48/71/656504871.db2.gz XENDNMQFPSDPDS-FFGOWVMKSA-N 1 0 316.489 3.444 10 0 DGAERO C[C@@H](Cc1cccs1)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724059904 656507335 /nfs/dbraw/zinc/50/73/35/656507335.db2.gz RURAFTYRWVTZPV-WPRPVWTQSA-N 1 0 317.323 3.217 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000724100346 656510008 /nfs/dbraw/zinc/51/00/08/656510008.db2.gz ITVADXSOZICTRQ-OLMNGRFOSA-N 1 0 308.466 3.458 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000317771644 656675519 /nfs/dbraw/zinc/67/55/19/656675519.db2.gz WASJDIYFXRDPCN-COXVUDFISA-N 1 0 300.402 3.139 10 0 DGAERO Oc1cccc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1Cl ZINC000722405514 656721711 /nfs/dbraw/zinc/72/17/11/656721711.db2.gz WDKSWSQWVDIVNT-MWLCHTKSSA-N 1 0 309.715 3.245 10 0 DGAERO O=C(NCC[NH+]1CCCCC1)c1ccc2nc(Cl)ccc2c1 ZINC000126065298 656923900 /nfs/dbraw/zinc/92/39/00/656923900.db2.gz LXJDGXYMSBHJFD-UHFFFAOYSA-N 1 0 317.820 3.104 10 0 DGAERO [NH3+][C@H](CC1CC1)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000310351987 657009153 /nfs/dbraw/zinc/00/91/53/657009153.db2.gz PNDLHQCCYPNEQK-GOSISDBHSA-N 1 0 324.424 3.009 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2OC)cs1 ZINC000237022958 657049612 /nfs/dbraw/zinc/04/96/12/657049612.db2.gz FBQXSGHQIUBMHT-QMTHXVAHSA-N 1 0 319.430 3.131 10 0 DGAERO CC(C)(C)c1cnc(CN(CC[NH3+])CCc2ccccc2)s1 ZINC000262068821 657307436 /nfs/dbraw/zinc/30/74/36/657307436.db2.gz RXCBTZDDDXNJAP-UHFFFAOYSA-N 1 0 317.502 3.444 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000721818877 657409687 /nfs/dbraw/zinc/40/96/87/657409687.db2.gz YYLMKYOBPUWESR-VIFPVBQESA-N 1 0 304.253 3.103 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])c1ccc(Cl)s1 ZINC000094750524 657414025 /nfs/dbraw/zinc/41/40/25/657414025.db2.gz NERRRMOCBSBURF-MXWKQRLJSA-N 1 0 300.855 3.486 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000249882562 657436322 /nfs/dbraw/zinc/43/63/22/657436322.db2.gz HTYBOAQCHUZNKV-XUJVJEKNSA-N 1 0 322.453 3.014 10 0 DGAERO CO[C@H]1C[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)CC[C@H]1C ZINC000251628478 657525466 /nfs/dbraw/zinc/52/54/66/657525466.db2.gz GUEFMKHPZBVTLK-XIKOKIGWSA-N 1 0 315.413 3.267 10 0 DGAERO CC(C)CC[N@@H+]1CCN(C/C=C\c2ccccc2)C[C@@H]1CCO ZINC000096747811 657553114 /nfs/dbraw/zinc/55/31/14/657553114.db2.gz WZEWZBDQWCHROU-NSDNCLLMSA-N 1 0 316.489 3.115 10 0 DGAERO O=C(/C=C\c1ccco1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000096837266 657557815 /nfs/dbraw/zinc/55/78/15/657557815.db2.gz HAJYYMDXHURPMK-LENZSSGSSA-N 1 0 324.424 3.116 10 0 DGAERO [NH3+][C@@H]1CC[C@H](c2nc(Cc3ccc(Br)cc3)no2)C1 ZINC000097067764 657591114 /nfs/dbraw/zinc/59/11/14/657591114.db2.gz YDEZQZZPHGTXGY-CMPLNLGQSA-N 1 0 322.206 3.018 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000097093715 657598209 /nfs/dbraw/zinc/59/82/09/657598209.db2.gz HQKWSIBRDGKURL-BDAKNGLRSA-N 1 0 304.337 3.364 10 0 DGAERO CCOc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000304262755 657615801 /nfs/dbraw/zinc/61/58/01/657615801.db2.gz JJNPBMOEARQZOR-AWEZNQCLSA-N 1 0 322.449 3.430 10 0 DGAERO OC1CCC(C[NH2+]Cc2cscc2Br)CC1 ZINC000304554984 657637813 /nfs/dbraw/zinc/63/78/13/657637813.db2.gz KOCRXRROSMJMJW-UHFFFAOYSA-N 1 0 304.253 3.151 10 0 DGAERO CC(C)N1CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1=O ZINC000722101957 657644320 /nfs/dbraw/zinc/64/43/20/657644320.db2.gz DAKMBNGUOSOBKZ-AWEZNQCLSA-N 1 0 315.244 3.135 10 0 DGAERO Clc1csc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c1 ZINC000720495344 657802590 /nfs/dbraw/zinc/80/25/90/657802590.db2.gz KMHKQJRUZQFYIW-QWHCGFSZSA-N 1 0 302.896 3.071 10 0 DGAERO C[C@]1(c2nc(-c3ccccc3Br)no2)CCC[NH2+]1 ZINC000079485520 657817539 /nfs/dbraw/zinc/81/75/39/657817539.db2.gz OWLRETYYXDLTDL-CYBMUJFWSA-N 1 0 308.179 3.098 10 0 DGAERO Cc1cc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)c(C)nn1 ZINC000720560932 657930039 /nfs/dbraw/zinc/93/00/39/657930039.db2.gz RHLSEZQFAOTHCF-UHFFFAOYSA-N 1 0 312.461 3.094 10 0 DGAERO CC[C@@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1Br ZINC000720674857 658065674 /nfs/dbraw/zinc/06/56/74/658065674.db2.gz RBAXVEZAYOMLGV-AWEZNQCLSA-N 1 0 322.250 3.294 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000720846496 658148628 /nfs/dbraw/zinc/14/86/28/658148628.db2.gz VOSIOLDNMAPBEE-VHSXEESVSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1C(F)(F)F ZINC000720846445 658148969 /nfs/dbraw/zinc/14/89/69/658148969.db2.gz VAMKFZLGHIEZFN-MWLCHTKSSA-N 1 0 310.722 3.048 10 0 DGAERO C[C@H](c1ccccc1Cl)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720876442 658154619 /nfs/dbraw/zinc/15/46/19/658154619.db2.gz ISMMIPVGFLFIBI-CKYFFXLPSA-N 1 0 306.759 3.470 10 0 DGAERO C[C@H](c1ccc(Cl)cc1)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720877503 658154979 /nfs/dbraw/zinc/15/49/79/658154979.db2.gz PWCZANHYMUKMOA-CDMKHQONSA-N 1 0 306.759 3.470 10 0 DGAERO C[C@H](CC[NH2+]CCc1cc(Cl)cc(Cl)c1)[S@@](C)=O ZINC000722145551 658277812 /nfs/dbraw/zinc/27/78/12/658277812.db2.gz UKVCPRBOISAWIP-MLCYQJTMSA-N 1 0 308.274 3.283 10 0 DGAERO Clc1ccc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc1Cl ZINC000721190645 658644120 /nfs/dbraw/zinc/64/41/20/658644120.db2.gz BMHDHQOZVAFNKP-PTRXPTGYSA-N 1 0 310.184 3.366 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000192869823 658760961 /nfs/dbraw/zinc/76/09/61/658760961.db2.gz AFLJQZMNWFBKAY-UHFFFAOYSA-N 1 0 317.820 3.054 10 0 DGAERO C[C@H](NC(=O)CCCCC[NH3+])c1ccc(Br)cc1 ZINC000042372559 658770104 /nfs/dbraw/zinc/77/01/04/658770104.db2.gz WSDDUCVGLRVGQR-NSHDSACASA-N 1 0 313.239 3.145 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CC12CCC2)COc1c(Cl)cccc1Cl ZINC000721242042 658894587 /nfs/dbraw/zinc/89/45/87/658894587.db2.gz DGEIJNSWPTWNOD-GXFFZTMASA-N 1 0 316.228 3.265 10 0 DGAERO Cc1cc(C)cc([C@H](O)CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000163901229 658906984 /nfs/dbraw/zinc/90/69/84/658906984.db2.gz STAYLQQNIYWKHY-HXUWFJFHSA-N 1 0 316.489 3.287 10 0 DGAERO Cc1cnc(CC[N@@H+](C)Cn2ccc(-c3ccccc3)n2)s1 ZINC000165211052 658971208 /nfs/dbraw/zinc/97/12/08/658971208.db2.gz SHWJYRDVJQVKMC-UHFFFAOYSA-N 1 0 312.442 3.447 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCSC(C)(C)C ZINC000156991029 658978747 /nfs/dbraw/zinc/97/87/47/658978747.db2.gz IWYBDABLJKHKEF-LSDHHAIUSA-N 1 0 312.523 3.384 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccsc2)C12CCCCC2 ZINC000224672824 659024760 /nfs/dbraw/zinc/02/47/60/659024760.db2.gz OYMWWFHQZIBCNQ-BZUAXINKSA-N 1 0 309.475 3.499 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000227579603 659159677 /nfs/dbraw/zinc/15/96/77/659159677.db2.gz FVUANCGSVKLWLY-PPUFBPAQSA-N 1 0 320.408 3.458 10 0 DGAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc2cnccc21 ZINC000227688797 659161310 /nfs/dbraw/zinc/16/13/10/659161310.db2.gz CWQLNZRUBUKBSV-CYBMUJFWSA-N 1 0 315.417 3.238 10 0 DGAERO Cc1sc(C[NH2+]CC[C@@H](C)[S@](C)=O)cc1Br ZINC000227853844 659166557 /nfs/dbraw/zinc/16/65/57/659166557.db2.gz ZSHHBZLOXDJTRG-BCTVWOGZSA-N 1 0 324.309 3.066 10 0 DGAERO CC(C)(C)c1cc(C(=O)NC2CCC([NH3+])CC2)cc(Cl)n1 ZINC000228112836 659174558 /nfs/dbraw/zinc/17/45/58/659174558.db2.gz ZMYJYSWKWLAZDP-UHFFFAOYSA-N 1 0 309.841 3.032 10 0 DGAERO CN(CC[NH2+]Cc1cccc2cnccc21)C(=O)OC(C)(C)C ZINC000228557117 659196895 /nfs/dbraw/zinc/19/68/95/659196895.db2.gz KTBMWGOTUUTPBA-UHFFFAOYSA-N 1 0 315.417 3.191 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000171049712 659256949 /nfs/dbraw/zinc/25/69/49/659256949.db2.gz VSFHLEDMFPXITK-FOWTUZBSSA-N 1 0 304.397 3.460 10 0 DGAERO CC(C)OCCC[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000171501267 659284316 /nfs/dbraw/zinc/28/43/16/659284316.db2.gz PBKDUXIYXDJENU-OAHLLOKOSA-N 1 0 314.470 3.181 10 0 DGAERO FC(F)Sc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171620584 659292270 /nfs/dbraw/zinc/29/22/70/659292270.db2.gz ZIFMDDUJOSHZNM-ZDUSSCGKSA-N 1 0 324.400 3.430 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccccc1Br ZINC000230203260 659317236 /nfs/dbraw/zinc/31/72/36/659317236.db2.gz WJQZYJFSDODFBZ-GHMZBOCLSA-N 1 0 314.223 3.251 10 0 DGAERO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1Br ZINC000230203270 659317677 /nfs/dbraw/zinc/31/76/77/659317677.db2.gz WJQZYJFSDODFBZ-QWRGUYRKSA-N 1 0 314.223 3.251 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)nc1 ZINC000230943752 659359493 /nfs/dbraw/zinc/35/94/93/659359493.db2.gz AMIOGQVYHBWNPS-HOCLYGCPSA-N 1 0 319.449 3.268 10 0 DGAERO CC(C)(C)OC(=O)N1CC=C(C[NH2+]CCc2ccccc2)CC1 ZINC000230955695 659360732 /nfs/dbraw/zinc/36/07/32/659360732.db2.gz STEJBLYBIFNLMI-UHFFFAOYSA-N 1 0 316.445 3.386 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C(C)C ZINC000230951351 659360824 /nfs/dbraw/zinc/36/08/24/659360824.db2.gz FCMLPSKSTSTJFD-ILXRZTDVSA-N 1 0 314.470 3.035 10 0 DGAERO C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]1CCCO1 ZINC000230969707 659361463 /nfs/dbraw/zinc/36/14/63/659361463.db2.gz JQCQQNAKQHHXGR-KBPBESRZSA-N 1 0 314.470 3.179 10 0 DGAERO S=c1n(CN(C[C@@H]2CCCO2)C2CCCC2)ncn1C1CC1 ZINC000172952235 659366904 /nfs/dbraw/zinc/36/69/04/659366904.db2.gz ASKIHZGWMFKHQE-HNNXBMFYSA-N 1 0 322.478 3.130 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)/C=C/c1ccnc2ccccc12 ZINC000174646829 659463748 /nfs/dbraw/zinc/46/37/48/659463748.db2.gz CVYQLWGIDSXNFJ-MDZDMXLPSA-N 1 0 311.429 3.096 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccsc1Cl ZINC000312617933 659548471 /nfs/dbraw/zinc/54/84/71/659548471.db2.gz SHHFECUFTDANTR-UHFFFAOYSA-N 1 0 304.843 3.406 10 0 DGAERO C[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C[C@H]1CCCOC1 ZINC000179610251 659935339 /nfs/dbraw/zinc/93/53/39/659935339.db2.gz QAABUWKEUFJUOD-CJNGLKHVSA-N 1 0 322.836 3.191 10 0 DGAERO OC1(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CCCCC1 ZINC000179727301 659939440 /nfs/dbraw/zinc/93/94/40/659939440.db2.gz XXQSFECAHXRDGP-SFHVURJKSA-N 1 0 317.429 3.194 10 0 DGAERO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000180389044 659961534 /nfs/dbraw/zinc/96/15/34/659961534.db2.gz HEIZMQFKCSRJJP-XJKSGUPXSA-N 1 0 320.433 3.127 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000353458954 659984643 /nfs/dbraw/zinc/98/46/43/659984643.db2.gz FKTYNNBPCJROEW-AEFFLSMTSA-N 1 0 310.445 3.041 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C[C@H]1CCCN(c3ccccc3)C1)CCC2 ZINC000353596115 660009212 /nfs/dbraw/zinc/00/92/12/660009212.db2.gz PWEGWLIPQPADFQ-CRAIPNDOSA-N 1 0 310.445 3.293 10 0 DGAERO C[C@H](OCC1CC1)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183186298 660104064 /nfs/dbraw/zinc/10/40/64/660104064.db2.gz OEZMNURBIVMFQX-MAUKXSAKSA-N 1 0 317.429 3.009 10 0 DGAERO N#Cc1cccc(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000183188242 660104093 /nfs/dbraw/zinc/10/40/93/660104093.db2.gz JPEDQCPRAMURRD-IBGZPJMESA-N 1 0 320.392 3.380 10 0 DGAERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000183474292 660118216 /nfs/dbraw/zinc/11/82/16/660118216.db2.gz YWAYWNTVOFFETL-UHFFFAOYSA-N 1 0 315.329 3.144 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)CCCSC(C)(C)C)CC[N@@H+]1C ZINC000155991622 661856472 /nfs/dbraw/zinc/85/64/72/661856472.db2.gz OLUHBJIIFWYQHQ-KGLIPLIRSA-N 1 0 300.512 3.239 10 0 DGAERO COc1ccc(C[NH2+]Cc2ccc(F)nc2)cc1OC(F)F ZINC000188981817 661957536 /nfs/dbraw/zinc/95/75/36/661957536.db2.gz RAOJEOAOIUVTOZ-UHFFFAOYSA-N 1 0 312.291 3.121 10 0 DGAERO CC[C@]1(CO)CCC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000189648194 661985848 /nfs/dbraw/zinc/98/58/48/661985848.db2.gz LZFMSYHLCHTMGC-DOTOQJQBSA-N 1 0 322.836 3.070 10 0 DGAERO CCC1=C(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CCCO1 ZINC000190015811 662001998 /nfs/dbraw/zinc/00/19/98/662001998.db2.gz KLDIVHBLLNSODD-HNNXBMFYSA-N 1 0 316.445 3.098 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000192951508 662116964 /nfs/dbraw/zinc/11/69/64/662116964.db2.gz OIXVJZVSTYKPFX-UONOGXRCSA-N 1 0 322.449 3.302 10 0 DGAERO CN(C(=O)c1ccc2nc(Cl)ccc2c1)[C@@H]1CCC[N@H+](C)C1 ZINC000081736352 662172127 /nfs/dbraw/zinc/17/21/27/662172127.db2.gz OXWZFJAKIGFOFZ-CQSZACIVSA-N 1 0 317.820 3.054 10 0 DGAERO CC1CCN(c2ccc(NC(=O)c3c[nH+]ccc3N)cc2)CC1 ZINC000082335246 662180951 /nfs/dbraw/zinc/18/09/51/662180951.db2.gz PFPJKLWKIPXGLI-UHFFFAOYSA-N 1 0 310.401 3.152 10 0 DGAERO CC1CCN(c2ccc(NC(=O)C[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000082335222 662181031 /nfs/dbraw/zinc/18/10/31/662181031.db2.gz VVFYNMKEWARLOV-INIZCTEOSA-N 1 0 315.461 3.203 10 0 DGAERO COc1ccc([C@@H](C)[N@@H+]2CCC[C@H](CCC(N)=O)C2)cc1Cl ZINC000084647790 662202603 /nfs/dbraw/zinc/20/26/03/662202603.db2.gz SZYUPWRGJOWHAE-CHWSQXEVSA-N 1 0 324.852 3.387 10 0 DGAERO CCc1ccc(NC(=[NH2+])NCCCc2c(C)noc2C)cc1 ZINC000084734390 662203274 /nfs/dbraw/zinc/20/32/74/662203274.db2.gz IZYIYPPUDSEAOW-UHFFFAOYSA-N 1 0 300.406 3.213 10 0 DGAERO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)s2)CCOC1 ZINC000717934386 662207021 /nfs/dbraw/zinc/20/70/21/662207021.db2.gz DNSDVOSKEYZHDY-JOYOIKCWSA-N 1 0 309.353 3.223 10 0 DGAERO C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc(C(F)(F)F)s1 ZINC000717985043 662213034 /nfs/dbraw/zinc/21/30/34/662213034.db2.gz OJDVOYSNZASQNG-BQBZGAKWSA-N 1 0 303.296 3.434 10 0 DGAERO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(C(F)(F)F)s1 ZINC000717989791 662213225 /nfs/dbraw/zinc/21/32/25/662213225.db2.gz LMNIILGSLVAHCB-BQBZGAKWSA-N 1 0 303.296 3.434 10 0 DGAERO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)s2)CC1=O ZINC000717959460 662213430 /nfs/dbraw/zinc/21/34/30/662213430.db2.gz VKLPDKMJLLTFCF-BDAKNGLRSA-N 1 0 306.353 3.038 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(C(F)(F)F)s1 ZINC000717967471 662213527 /nfs/dbraw/zinc/21/35/27/662213527.db2.gz JGKRYYKLQJHSQK-VGMNWLOBSA-N 1 0 306.353 3.085 10 0 DGAERO Cc1coc(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000718028943 662214509 /nfs/dbraw/zinc/21/45/09/662214509.db2.gz DGCATAQBWYAICJ-AWEZNQCLSA-N 1 0 308.422 3.325 10 0 DGAERO CCC1([NH2+]Cc2nc(C)c(Br)s2)CCOCC1 ZINC000719256709 662272274 /nfs/dbraw/zinc/27/22/74/662272274.db2.gz JZSQORFGVWJQPD-UHFFFAOYSA-N 1 0 319.268 3.263 10 0 DGAERO Cc1nc(C[NH2+]CC(C)(C)C[C@@H](C)O)sc1Br ZINC000719256780 662272312 /nfs/dbraw/zinc/27/23/12/662272312.db2.gz KTLDNWBWRCBOPC-MRVPVSSYSA-N 1 0 321.284 3.101 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000089629227 662246036 /nfs/dbraw/zinc/24/60/36/662246036.db2.gz ALHRXOGRMICBNH-KGLIPLIRSA-N 1 0 303.512 3.394 10 0 DGAERO CCC[N@H+](C[C@@H](O)c1ccc(F)cc1F)C[C@@H]1CCCCO1 ZINC000246381639 662257018 /nfs/dbraw/zinc/25/70/18/662257018.db2.gz TYOYKPOMYJVLML-WMLDXEAASA-N 1 0 313.388 3.279 10 0 DGAERO CO[C@H]1CCC[C@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000718812952 662262038 /nfs/dbraw/zinc/26/20/38/662262038.db2.gz UPRRTWJFVSMCOG-KKUMJFAQSA-N 1 0 314.470 3.227 10 0 DGAERO CO[C@H]1CCC[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)CC1 ZINC000718839504 662262501 /nfs/dbraw/zinc/26/25/01/662262501.db2.gz JHBLJOPOCPGFEG-UWVGGRQHSA-N 1 0 305.287 3.095 10 0 DGAERO CCC(CC)[C@H](O)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719225689 662271603 /nfs/dbraw/zinc/27/16/03/662271603.db2.gz YAIMRIVVXCUCIE-SNVBAGLBSA-N 1 0 321.284 3.101 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2cscc2Br)CCSC1 ZINC000719303132 662273657 /nfs/dbraw/zinc/27/36/57/662273657.db2.gz QTLXQNAHHMAGMH-LLVKDONJSA-N 1 0 322.293 3.122 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2cccc(Br)c2)CCSC1 ZINC000719316766 662273773 /nfs/dbraw/zinc/27/37/73/662273773.db2.gz SRCABWKHZGJCGE-CYBMUJFWSA-N 1 0 316.264 3.061 10 0 DGAERO Cc1nc(C[NH2+][C@H]2CCS[C@H]2C)sc1Br ZINC000719322246 662273998 /nfs/dbraw/zinc/27/39/98/662273998.db2.gz PMLKGNGGWHGELQ-YUMQZZPRSA-N 1 0 307.282 3.198 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000038103314 662286945 /nfs/dbraw/zinc/28/69/45/662286945.db2.gz VVQXTFFAQQHQOD-NSHDSACASA-N 1 0 318.248 3.095 10 0 DGAERO Cc1nn(C)c(C)c1CCCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000091537583 662305300 /nfs/dbraw/zinc/30/53/00/662305300.db2.gz YWJVOLLJHQABIJ-AWEZNQCLSA-N 1 0 321.513 3.089 10 0 DGAERO CCOCC[N@H+](CC)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091744764 662316730 /nfs/dbraw/zinc/31/67/30/662316730.db2.gz JISKNYJTBJSNAQ-OAHLLOKOSA-N 1 0 310.825 3.191 10 0 DGAERO CC(C)[C@@H](C)[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000248606182 662354326 /nfs/dbraw/zinc/35/43/26/662354326.db2.gz CRUMIOBMWRUGKF-KFWWJZLASA-N 1 0 314.470 3.035 10 0 DGAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000248675229 662357102 /nfs/dbraw/zinc/35/71/02/662357102.db2.gz COCYVDCIELGGDJ-RTWAWAEBSA-N 1 0 323.436 3.468 10 0 DGAERO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccccc1N(C)C ZINC000093944503 662361732 /nfs/dbraw/zinc/36/17/32/662361732.db2.gz VYURKNKCXIBVNG-AWEZNQCLSA-N 1 0 321.465 3.318 10 0 DGAERO FCC[NH2+]Cc1cc(Br)c(Br)s1 ZINC000379336066 685147693 /nfs/dbraw/zinc/14/76/93/685147693.db2.gz YVFSPAXHPXUWEJ-UHFFFAOYSA-N 1 0 317.021 3.332 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)[C@H](C)NC(=O)OC(C)(C)C ZINC000380960274 685155006 /nfs/dbraw/zinc/15/50/06/685155006.db2.gz WGNRDMNSIARXCN-KEYYUXOJSA-N 1 0 318.461 3.435 10 0 DGAERO CC[S@@](=O)CC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000381416881 685157687 /nfs/dbraw/zinc/15/76/87/685157687.db2.gz WIFDFAMTRGDOIS-JDNHERCYSA-N 1 0 324.309 3.238 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000382043914 685161722 /nfs/dbraw/zinc/16/17/22/685161722.db2.gz VCCQULCVLULABC-GYTBAZASSA-N 1 0 308.466 3.412 10 0 DGAERO c1ccc(CN2CCO[C@@H](C[NH2+][C@H]3CC4CCC3CC4)C2)cc1 ZINC000382051230 685161749 /nfs/dbraw/zinc/16/17/49/685161749.db2.gz WKBJLDKIQPCMNH-QUDVFMAMSA-N 1 0 314.473 3.056 10 0 DGAERO CCc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000382396151 685163419 /nfs/dbraw/zinc/16/34/19/685163419.db2.gz UJHGWNPNRBMQCG-CYBMUJFWSA-N 1 0 323.437 3.035 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1CCC(=O)C(C)(C)C ZINC000382649570 685164836 /nfs/dbraw/zinc/16/48/36/685164836.db2.gz RNNHPFUXALVVEX-MRXNPFEDSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H]([N@H+](C)Cc1cccc(F)c1Br)C(C)(C)O ZINC000382836143 685165149 /nfs/dbraw/zinc/16/51/49/685165149.db2.gz CYUUWOWOIYTYSR-SECBINFHSA-N 1 0 304.203 3.179 10 0 DGAERO Cc1sc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1Br ZINC000384048078 685169233 /nfs/dbraw/zinc/16/92/33/685169233.db2.gz WEKLSEGEMYEBQK-GHMZBOCLSA-N 1 0 318.280 3.460 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000389854164 685197575 /nfs/dbraw/zinc/19/75/75/685197575.db2.gz YMXQHUKJFFGLJZ-MELADBBJSA-N 1 0 314.470 3.035 10 0 DGAERO C[N@H+](CCC(=O)C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000390808412 685206341 /nfs/dbraw/zinc/20/63/41/685206341.db2.gz OLPQDXSFDNHROT-QGZVFWFLSA-N 1 0 302.462 3.198 10 0 DGAERO CC1(C)SC[C@H]1[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000393845242 685219239 /nfs/dbraw/zinc/21/92/39/685219239.db2.gz CWNSDGNWWIZHHX-VXGBXAGGSA-N 1 0 305.365 3.222 10 0 DGAERO CCSCC[NH2+]CCc1ccc(Br)cc1F ZINC000393739389 685219366 /nfs/dbraw/zinc/21/93/66/685219366.db2.gz CWCYMDNNKFPFDU-UHFFFAOYSA-N 1 0 306.244 3.473 10 0 DGAERO CCSCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000396581362 685228253 /nfs/dbraw/zinc/22/82/53/685228253.db2.gz FODSQOBMSAMBKT-CHWSQXEVSA-N 1 0 302.484 3.117 10 0 DGAERO C[C@@H](CCc1ccccc1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000397854902 685232898 /nfs/dbraw/zinc/23/28/98/685232898.db2.gz CAMUUGZKVCZHLJ-HNNXBMFYSA-N 1 0 318.461 3.464 10 0 DGAERO c1ccc(-c2cccc(C[NH2+]CCCO[C@@H]3CCOC3)c2)nc1 ZINC000128798831 1176076642 /nfs/dbraw/zinc/07/66/42/1176076642.db2.gz RSCFRMVSXBFCQW-GOSISDBHSA-N 1 0 312.413 3.034 10 0 DGAERO Ic1ccc(C[NH2+]CC2CCC2)cc1 ZINC000083849138 1176298142 /nfs/dbraw/zinc/29/81/42/1176298142.db2.gz PLRRRSICCXIXBW-UHFFFAOYSA-N 1 0 301.171 3.181 10 0 DGAERO Cc1n[nH]c(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)n1 ZINC000394447520 1176747212 /nfs/dbraw/zinc/74/72/12/1176747212.db2.gz WPXHDWPFQRXYCN-UHFFFAOYSA-N 1 0 322.412 3.024 10 0 DGAERO CC(C)SCC[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000309748085 1176751728 /nfs/dbraw/zinc/75/17/28/1176751728.db2.gz VCKRHHFFKIYRAQ-UHFFFAOYSA-N 1 0 304.500 3.411 10 0 DGAERO Cc1noc(C)c1CNCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379650419 1176802329 /nfs/dbraw/zinc/80/23/29/1176802329.db2.gz RTPXMODOTXZCOR-AWEZNQCLSA-N 1 0 301.434 3.292 10 0 DGAERO C[C@@H](O)C[C@H](C)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000228089414 1176803164 /nfs/dbraw/zinc/80/31/64/1176803164.db2.gz VZSHESSWTJZPIJ-ZFDZMSFRSA-N 1 0 312.251 3.444 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000228114015 1176807370 /nfs/dbraw/zinc/80/73/70/1176807370.db2.gz UIBHOSCYMQVTHI-UHFFFAOYSA-N 1 0 311.857 3.103 10 0 DGAERO CCC[N@H+](CC)CCNCc1cc(F)cc(Br)c1 ZINC000219324679 1176835367 /nfs/dbraw/zinc/83/53/67/1176835367.db2.gz GWVXQAYCDKXBMO-UHFFFAOYSA-N 1 0 317.246 3.410 10 0 DGAERO C[C@H](Cc1ccsc1)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000251293744 1176998509 /nfs/dbraw/zinc/99/85/09/1176998509.db2.gz DFDDUKXPOSIOBN-OJLVUWQFSA-N 1 0 306.475 3.106 10 0 DGAERO CC(C)(C)OC(=O)NCCCC[NH2+]C[C@@]1(C)CCCS1 ZINC000397977199 1177014875 /nfs/dbraw/zinc/01/48/75/1177014875.db2.gz PMGKMUBXFSQVDL-OAHLLOKOSA-N 1 0 302.484 3.167 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H](C)O1 ZINC000384600187 1177107481 /nfs/dbraw/zinc/10/74/81/1177107481.db2.gz NONSCPRVVMTRQG-MGPQQGTHSA-N 1 0 314.470 3.178 10 0 DGAERO CCn1ccnc1C[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C ZINC000385179942 1177156817 /nfs/dbraw/zinc/15/68/17/1177156817.db2.gz LXJKTVXAZQDUMK-CQSZACIVSA-N 1 0 324.469 3.076 10 0 DGAERO O=C(/C=C\c1ccc[nH]1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000588547871 1177220916 /nfs/dbraw/zinc/22/09/16/1177220916.db2.gz ZJRSWNOEKDOZLY-JZHDPFOFSA-N 1 0 323.440 3.199 10 0 DGAERO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)c1nc2ccccc2n1C(C)C ZINC000132493817 1177619092 /nfs/dbraw/zinc/61/90/92/1177619092.db2.gz IZQWJOBSSNNXSY-GJZGRUSLSA-N 1 0 319.449 3.054 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000085374799 1177713314 /nfs/dbraw/zinc/71/33/14/1177713314.db2.gz MIXFAWZTTMWUAZ-KOLCDFICSA-N 1 0 304.287 3.301 10 0 DGAERO c1nc(C[NH2+]CCCO[C@H]2CCOC2)sc1-c1ccccc1 ZINC000092411402 1177900701 /nfs/dbraw/zinc/90/07/01/1177900701.db2.gz SYGHLMWPIKFDNC-HNNXBMFYSA-N 1 0 318.442 3.095 10 0 DGAERO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388470907 1178073099 /nfs/dbraw/zinc/07/30/99/1178073099.db2.gz IOFQXGDYUNOQSV-XUVXKRRUSA-N 1 0 316.489 3.134 10 0 DGAERO CNC(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000044989873 1194309231 /nfs/dbraw/zinc/30/92/31/1194309231.db2.gz UGIAGZYNVIWRPI-SSDOTTSWSA-N 1 0 309.624 3.434 10 0 DGAERO c1cn(CC[NH2+]Cc2ccccc2OCc2ccccc2)cn1 ZINC000060831234 1195158797 /nfs/dbraw/zinc/15/87/97/1195158797.db2.gz QWZUXMAWGWUQEA-UHFFFAOYSA-N 1 0 307.397 3.252 10 0 DGAERO c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000061012970 1195169783 /nfs/dbraw/zinc/16/97/83/1195169783.db2.gz IZWRESYHLZASEN-MRXNPFEDSA-N 1 0 321.380 3.006 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C)cc1Cl ZINC000066973496 1195579080 /nfs/dbraw/zinc/57/90/80/1195579080.db2.gz AHKWRPURWZXKSX-INIZCTEOSA-N 1 0 308.853 3.335 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)N[C@H](C)CC)cc1Cl ZINC000066991204 1195583118 /nfs/dbraw/zinc/58/31/18/1195583118.db2.gz MUXJQYGARYYANH-OLZOCXBDSA-N 1 0 324.852 3.298 10 0 DGAERO COc1ccc(OCC[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000072953423 1196123569 /nfs/dbraw/zinc/12/35/69/1196123569.db2.gz RBXSGNRAQLXPGD-UHFFFAOYSA-N 1 0 323.339 3.465 10 0 DGAERO c1cnc2c(c1)cccc2C[NH2+]CCCOCC1CCOCC1 ZINC000077424725 1196593682 /nfs/dbraw/zinc/59/36/82/1196593682.db2.gz MOJOUOZHWNCSMP-UHFFFAOYSA-N 1 0 314.429 3.158 10 0 DGAERO CC[C@](C)(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)OC ZINC000322964116 1197689280 /nfs/dbraw/zinc/68/92/80/1197689280.db2.gz VKENZWAAWGQIAN-QGZVFWFLSA-N 1 0 316.486 3.427 10 0 DGAERO Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379624736 1197703641 /nfs/dbraw/zinc/70/36/41/1197703641.db2.gz JTSRNPXZBGMDBF-GOSISDBHSA-N 1 0 312.461 3.171 10 0 DGAERO CCc1nc(C)cc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000379679965 1197703648 /nfs/dbraw/zinc/70/36/48/1197703648.db2.gz KQIXBDDZBVEMGQ-GOSISDBHSA-N 1 0 324.472 3.236 10 0 DGAERO CN(CC[NH+]1CCCC1)Cc1cc(Cl)cc(Cl)c1N ZINC000382516568 1197705365 /nfs/dbraw/zinc/70/53/65/1197705365.db2.gz RLSBDUIRMXIOFC-UHFFFAOYSA-N 1 0 302.249 3.103 10 0 DGAERO CC(C)CSCC[NH2+]Cc1ccc(Br)nc1 ZINC000390360736 1197712884 /nfs/dbraw/zinc/71/28/84/1197712884.db2.gz RPQDTRQWDZSYSB-UHFFFAOYSA-N 1 0 303.269 3.323 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1cc(F)ccc1Br ZINC000090187310 1198118511 /nfs/dbraw/zinc/11/85/11/1198118511.db2.gz UQGOMDSRFJJNCJ-UHFFFAOYSA-N 1 0 318.230 3.477 10 0 DGAERO Fc1ccc(CC[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000094365244 1198781422 /nfs/dbraw/zinc/78/14/22/1198781422.db2.gz RRWIDIKLJWFVDV-MRXNPFEDSA-N 1 0 309.450 3.403 10 0 DGAERO Fc1ccc(F)c(C[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000097465545 1199134783 /nfs/dbraw/zinc/13/47/83/1199134783.db2.gz UMWWZNYWFUMNTL-UHFFFAOYSA-N 1 0 302.368 3.113 10 0 DGAERO CCOc1cccc(C[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000097465544 1199135219 /nfs/dbraw/zinc/13/52/19/1199135219.db2.gz XTUHHMOATYZMML-UHFFFAOYSA-N 1 0 310.441 3.233 10 0 DGAERO C[Si](C)(C)C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000401530364 1199407013 /nfs/dbraw/zinc/40/70/13/1199407013.db2.gz ANSGLJVSJIYQFS-MSOLQXFVSA-N 1 0 302.538 3.318 10 0 DGAERO CCC[C@H](C[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)OC ZINC000401725373 1199416773 /nfs/dbraw/zinc/41/67/73/1199416773.db2.gz PWAXRDWCFQJSOK-SOUVJXGZSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403641224 1199512627 /nfs/dbraw/zinc/51/26/27/1199512627.db2.gz PUBKYMMMHLPMJN-SNSWZIKMSA-N 1 0 312.479 3.084 10 0 DGAERO Cc1cc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)sn1 ZINC000404457928 1199560157 /nfs/dbraw/zinc/56/01/57/1199560157.db2.gz QWCYJQMRSUMZSE-UHFFFAOYSA-N 1 0 303.475 3.452 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CSC2(C)C)C1(C)C ZINC000404827168 1199586842 /nfs/dbraw/zinc/58/68/42/1199586842.db2.gz VUUYZJIZXWRHOV-TUAOUCFPSA-N 1 0 314.495 3.162 10 0 DGAERO c1cc(-c2nc(C[NH2+]CCOc3cccnc3)cs2)cs1 ZINC000114507361 1199703508 /nfs/dbraw/zinc/70/35/08/1199703508.db2.gz PNQSMRAMRKGBMO-UHFFFAOYSA-N 1 0 317.439 3.435 10 0 DGAERO CN(C(=O)OC1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309719055 1199709026 /nfs/dbraw/zinc/70/90/26/1199709026.db2.gz NBOYNYAULMJWPF-INIZCTEOSA-N 1 0 302.418 3.272 10 0 DGAERO c1[nH]nc2cc(C[NH2+]C[C@@H]3CCCN3Cc3ccccc3)ccc12 ZINC000114772244 1199717358 /nfs/dbraw/zinc/71/73/58/1199717358.db2.gz FPYFOWGRJYHRTI-IBGZPJMESA-N 1 0 320.440 3.317 10 0 DGAERO C=Cn1cc(C[NH2+]CCc2cccc(Br)c2)cn1 ZINC000313704771 1199772898 /nfs/dbraw/zinc/77/28/98/1199772898.db2.gz PHLRMGRQNYUNPZ-UHFFFAOYSA-N 1 0 306.207 3.078 10 0 DGAERO C[C@H](C[NH2+]Cc1ccc(I)cc1)C1CC1 ZINC000132852162 1201181037 /nfs/dbraw/zinc/18/10/37/1201181037.db2.gz WTWHOQDDIWNYED-SNVBAGLBSA-N 1 0 315.198 3.427 10 0 DGAERO c1nc(C2CCCC2)sc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000135831176 1201206264 /nfs/dbraw/zinc/20/62/64/1201206264.db2.gz VWHXQKNJSDJSOJ-OAHLLOKOSA-N 1 0 324.490 3.476 10 0 DGAERO CCOCCCC[NH2+]Cc1ccc(F)cc1Br ZINC000135910110 1201206582 /nfs/dbraw/zinc/20/65/82/1201206582.db2.gz KSRAGTNFALHKPJ-UHFFFAOYSA-N 1 0 304.203 3.495 10 0 DGAERO c1nc(C2CCCC2)sc1C[NH2+]CCCO[C@H]1CCOC1 ZINC000136326974 1201211339 /nfs/dbraw/zinc/21/13/39/1201211339.db2.gz TUNNGGGUCOQSNC-AWEZNQCLSA-N 1 0 310.463 3.086 10 0 DGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194354399 1201367869 /nfs/dbraw/zinc/36/78/69/1201367869.db2.gz QCWQWKYRFCVIHE-CVEARBPZSA-N 1 0 312.417 3.258 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]CCc3cc4ccccc4o3)cc2)n1 ZINC000152566306 1202594645 /nfs/dbraw/zinc/59/46/45/1202594645.db2.gz ZYELASNHPDYDAY-UHFFFAOYSA-N 1 0 318.380 3.346 10 0 DGAERO CCCC[NH2+]Cc1ccc(F)cc1I ZINC000232986650 1202602205 /nfs/dbraw/zinc/60/22/05/1202602205.db2.gz VMHUWJMMDAWDHT-UHFFFAOYSA-N 1 0 307.150 3.320 10 0 DGAERO CC(=O)N1CCC([NH2+]CCCOc2ccc(Cl)cc2C)CC1 ZINC000236835649 1202628023 /nfs/dbraw/zinc/62/80/23/1202628023.db2.gz DPKWMOKFQBBOID-UHFFFAOYSA-N 1 0 324.852 3.018 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)cc1Cl ZINC000237545899 1202677395 /nfs/dbraw/zinc/67/73/95/1202677395.db2.gz RLFVMGJQKFIHES-CYBMUJFWSA-N 1 0 308.853 3.477 10 0 DGAERO O[C@H](CC1CCCC1)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000190436365 1203279232 /nfs/dbraw/zinc/27/92/32/1203279232.db2.gz RJXZHFRGEASTCZ-QGZVFWFLSA-N 1 0 303.446 3.471 10 0 DGAERO CN1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163437141 1203568229 /nfs/dbraw/zinc/56/82/29/1203568229.db2.gz XWTMKUXPCAIQSA-GFCCVEGCSA-N 1 0 304.331 3.418 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1cc(Br)cs1 ZINC000164664744 1203693196 /nfs/dbraw/zinc/69/31/96/1203693196.db2.gz YWRMWYIGRKZGAK-UHFFFAOYSA-N 1 0 306.269 3.399 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCOc2ccc3c(c2)OCO3)cc1 ZINC000178505506 1204114837 /nfs/dbraw/zinc/11/48/37/1204114837.db2.gz IQHCPFRMQSKKOS-ZDUSSCGKSA-N 1 0 315.369 3.154 10 0 DGAERO CC[NH+](CC)CCCCNc1cc(COC)nc(C(C)(C)C)n1 ZINC000178516877 1204121492 /nfs/dbraw/zinc/12/14/92/1204121492.db2.gz NDYZRVZXBWQJNO-UHFFFAOYSA-N 1 0 322.497 3.454 10 0 DGAERO O=C(NCC1CC1)C1([NH2+]CCCc2cccc(F)c2)CCCC1 ZINC000182885065 1204343740 /nfs/dbraw/zinc/34/37/40/1204343740.db2.gz QKAXWOBFPNGVHI-UHFFFAOYSA-N 1 0 318.436 3.187 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC000707772441 1082425153 /nfs/dbraw/zinc/42/51/53/1082425153.db2.gz GSZYDTAFRJEQBW-YZXKGSGOSA-N 1 0 306.450 3.020 10 0 DGAERO Cc1csc(C(=O)N(C)C2(C[NH3+])CCCCC2)c1Cl ZINC000713330156 1086187951 /nfs/dbraw/zinc/18/79/51/1086187951.db2.gz WFGVABYTJLUFRN-UHFFFAOYSA-N 1 0 300.855 3.444 10 0 DGAERO Cc1cc(Cl)cc(C(=O)N(CCC[NH3+])CC(F)(F)F)c1 ZINC000714386930 1086826842 /nfs/dbraw/zinc/82/68/42/1086826842.db2.gz TXSWWPCZZJYSGN-UHFFFAOYSA-N 1 0 308.731 3.002 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]CC1CC(OC)C1 ZINC000714528714 1087033052 /nfs/dbraw/zinc/03/30/52/1087033052.db2.gz AHWRRSKKHPWUTF-UHFFFAOYSA-N 1 0 314.470 3.085 10 0 DGAERO COc1cccc(C2CC([NH2+]C[C@H](C)CC3(C)OCCO3)C2)c1 ZINC000715907659 1091038828 /nfs/dbraw/zinc/03/88/28/1091038828.db2.gz IGZOISWXBDGUDK-ODIFPOPNSA-N 1 0 319.445 3.320 10 0 DGAERO CC1(CC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)OCCO1 ZINC000716053578 1091384230 /nfs/dbraw/zinc/38/42/30/1091384230.db2.gz LIWUCEIADIMUNL-UHFFFAOYSA-N 1 0 307.287 3.087 10 0 DGAERO CSCCCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401750324 1092193398 /nfs/dbraw/zinc/19/33/98/1092193398.db2.gz XIZVGKMVDRFIPY-KGLIPLIRSA-N 1 0 316.511 3.365 10 0 DGAERO C[NH+](C)C(C)(C)CNC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000228104268 1092219698 /nfs/dbraw/zinc/21/96/98/1092219698.db2.gz BTXVTJTURRHIOA-UHFFFAOYSA-N 1 0 311.857 3.103 10 0 DGAERO C[C@H](Cc1cccs1)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359811 1093416315 /nfs/dbraw/zinc/41/63/15/1093416315.db2.gz OFAJORVNNCKAMI-VRKREXBASA-N 1 0 306.475 3.106 10 0 DGAERO CC(C)[N@H+](C)CCN[C@H](c1nccn1C)c1ccccc1Cl ZINC000180629725 1093860497 /nfs/dbraw/zinc/86/04/97/1093860497.db2.gz BNYVZKQAMQZMKJ-INIZCTEOSA-N 1 0 320.868 3.093 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+]C[C@H]2CC3CCC2CC3)C1 ZINC000400141799 1093869749 /nfs/dbraw/zinc/86/97/49/1093869749.db2.gz RRABQPFOQPCZEG-GMOYYMRRSA-N 1 0 308.466 3.458 10 0 DGAERO Cc1cc(C[NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC000400504983 1093899835 /nfs/dbraw/zinc/89/98/35/1093899835.db2.gz CYPYRPOUBVTGSS-CYBMUJFWSA-N 1 0 323.437 3.108 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000401666361 1093963564 /nfs/dbraw/zinc/96/35/64/1093963564.db2.gz HUFPEEKZOALHOK-XJKSGUPXSA-N 1 0 319.449 3.125 10 0 DGAERO Cc1ccncc1C[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401688668 1093965318 /nfs/dbraw/zinc/96/53/18/1093965318.db2.gz YYVNAFODEGNTME-BBRMVZONSA-N 1 0 319.449 3.125 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000401856886 1093975462 /nfs/dbraw/zinc/97/54/62/1093975462.db2.gz VVWNMQMIVDKHDD-XJKSGUPXSA-N 1 0 319.449 3.125 10 0 DGAERO C1C[C@H]2CC([NH2+][C@H]3CCOC4(CCSCC4)C3)C[C@@H]1S2 ZINC000403495775 1094131558 /nfs/dbraw/zinc/13/15/58/1094131558.db2.gz DGCSHPOFYYQXFQ-AVOUXACISA-N 1 0 313.532 3.447 10 0 DGAERO c1cc2c(cc1CC[NH2+]C1C[C@H]3CC[C@@H](C1)S3)OCCO2 ZINC000403492321 1094131618 /nfs/dbraw/zinc/13/16/18/1094131618.db2.gz BSSNFWSZXRKTSP-GOOCMWNKSA-N 1 0 305.443 3.017 10 0 DGAERO CN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)C(=O)OC(C)(C)C ZINC000403621577 1094156069 /nfs/dbraw/zinc/15/60/69/1094156069.db2.gz HHVLKLVJNDHGBH-AGUYFDCRSA-N 1 0 314.495 3.260 10 0 DGAERO C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)NC(=O)OC(C)(C)C ZINC000403645721 1094158944 /nfs/dbraw/zinc/15/89/44/1094158944.db2.gz RXZYZDLMEYQQHF-FUDCBSFHSA-N 1 0 314.495 3.306 10 0 DGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000404454080 1094258875 /nfs/dbraw/zinc/25/88/75/1094258875.db2.gz ODXWGSWXOKGLDX-GFCCVEGCSA-N 1 0 311.451 3.022 10 0 DGAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000405572988 1094388656 /nfs/dbraw/zinc/38/86/56/1094388656.db2.gz DAZUDGWJDYTSPJ-APIJFGDWSA-N 1 0 314.470 3.083 10 0 DGAERO C[C@@H]1OC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC000405805836 1094437093 /nfs/dbraw/zinc/43/70/93/1094437093.db2.gz WNEPRNOMJJAEFV-CTRAYCPCSA-N 1 0 302.462 3.053 10 0 DGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C)c(Br)c1 ZINC000313606794 1095013219 /nfs/dbraw/zinc/01/32/19/1095013219.db2.gz JLCBLBYEAASONV-UKRRQHHQSA-N 1 0 312.251 3.350 10 0 DGAERO CCCn1cncc1C[NH2+]CCc1cccc(Br)c1 ZINC000313731000 1095018295 /nfs/dbraw/zinc/01/82/95/1095018295.db2.gz AMHYAMWECNXRSV-UHFFFAOYSA-N 1 0 322.250 3.388 10 0 DGAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(Cl)sc1Cl ZINC000234389973 1096209160 /nfs/dbraw/zinc/20/91/60/1096209160.db2.gz VGQTXLRBLXBSMO-MRVPVSSYSA-N 1 0 307.246 3.269 10 0 DGAERO CC[C@@H](CC1CCCCC1)[NH2+]CC1(S(=O)(=O)CC)CC1 ZINC000720960241 1096267910 /nfs/dbraw/zinc/26/79/10/1096267910.db2.gz KMOKEQIFPVTJEV-HNNXBMFYSA-N 1 0 301.496 3.292 10 0 DGAERO CCC[C@@H](C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)OC ZINC000721846325 1098064437 /nfs/dbraw/zinc/06/44/37/1098064437.db2.gz INCFFABLNCHMKR-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)[NH2+]C[C@@H](C)N(C)C(=O)c1cc(F)c(Cl)cc1F ZINC000722036913 1098434455 /nfs/dbraw/zinc/43/44/55/1098434455.db2.gz MYXZBBYHCJZNEG-SECBINFHSA-N 1 0 304.768 3.077 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000722499762 1100268873 /nfs/dbraw/zinc/26/88/73/1100268873.db2.gz CSISMMJAUDBYAY-HIFRSBDPSA-N 1 0 312.454 3.343 10 0 DGAERO Cc1ccc(C[NH2+]CCCn2ccnc2)c(C)c1Br ZINC000719523170 1104941253 /nfs/dbraw/zinc/94/12/53/1104941253.db2.gz GLGYJPUFMBKVGQ-UHFFFAOYSA-N 1 0 322.250 3.442 10 0 DGAERO C[C@@H]1[C@H]([NH2+]C2CC(c3ccccc3Br)C2)CCN1C ZINC000719571059 1104951605 /nfs/dbraw/zinc/95/16/05/1104951605.db2.gz QYMXATRFAKZQGB-NEQJSVFRSA-N 1 0 323.278 3.377 10 0 DGAERO CN(C(=O)C1([NH3+])CC2(CCC2)C1)c1ccc(Br)cc1 ZINC000723892137 1106416184 /nfs/dbraw/zinc/41/61/84/1106416184.db2.gz PQBZFCYSGFQPNX-UHFFFAOYSA-N 1 0 323.234 3.074 10 0 DGAERO CCC1(CC)CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724112753 1106628765 /nfs/dbraw/zinc/62/87/65/1106628765.db2.gz ZKLJVLBVXYUCPM-JTQLQIEISA-N 1 0 303.315 3.447 10 0 DGAERO CC(C)[N@H+](C)C[C@H](C)Nc1cc(Br)ccc1C#N ZINC000385681563 1108393729 /nfs/dbraw/zinc/39/37/29/1108393729.db2.gz GJGUBIXJFVPPFK-NSHDSACASA-N 1 0 310.239 3.461 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1(C)C ZINC000701951392 1109005622 /nfs/dbraw/zinc/00/56/22/1109005622.db2.gz NQOPDNYZVWKZEJ-IJLUTSLNSA-N 1 0 318.408 3.313 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(-c2nccc(C)n2)cc1)[NH+](C)C ZINC000162168761 197549347 /nfs/dbraw/zinc/54/93/47/197549347.db2.gz JAAVUMBXEJQIEV-INIZCTEOSA-N 1 0 312.417 3.121 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1F ZINC000056347435 282131386 /nfs/dbraw/zinc/13/13/86/282131386.db2.gz ZSEQMTCAWAQWMG-HNNXBMFYSA-N 1 0 315.392 3.120 10 0 DGAERO CC1(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)CC[NH2+]CC1 ZINC000181288510 199276970 /nfs/dbraw/zinc/27/69/70/199276970.db2.gz OORMSBJBDJIDMU-UHFFFAOYSA-N 1 0 316.376 3.205 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc(C2CCCC2)nc1C ZINC000079337843 185165597 /nfs/dbraw/zinc/16/55/97/185165597.db2.gz GCVQNTAMVPRPTA-CQSZACIVSA-N 1 0 321.490 3.323 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1ccccc1)C1CC1 ZINC000079253532 185162572 /nfs/dbraw/zinc/16/25/72/185162572.db2.gz YTRPKXMYYLHYDJ-HNNXBMFYSA-N 1 0 303.450 3.091 10 0 DGAERO CCC[NH2+]Cc1sc(-c2ccc(OC)cc2)nc1COC ZINC000082446420 185183500 /nfs/dbraw/zinc/18/35/00/185183500.db2.gz VHYIWSMSMYFXFX-UHFFFAOYSA-N 1 0 306.431 3.465 10 0 DGAERO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cnccn1 ZINC000310470065 231113328 /nfs/dbraw/zinc/11/33/28/231113328.db2.gz BCSQWHFNJRZDRT-GDAAHCPNSA-N 1 0 322.456 3.038 10 0 DGAERO [NH3+]C1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000062657606 432004423 /nfs/dbraw/zinc/00/44/23/432004423.db2.gz PKWBDMBKTSZJGM-UHFFFAOYSA-N 1 0 304.287 3.301 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000088083822 185239217 /nfs/dbraw/zinc/23/92/17/185239217.db2.gz WVSNRHHGFRXXCQ-IUCAKERBSA-N 1 0 315.186 3.044 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)C1 ZINC000170830271 282197388 /nfs/dbraw/zinc/19/73/88/282197388.db2.gz FCIOXCQVPWZASU-CVEARBPZSA-N 1 0 303.450 3.119 10 0 DGAERO CC[N@@H+]1CC[C@H](NCc2ccccc2OC2CCC2)[C@H](C)C1 ZINC000090027358 185278939 /nfs/dbraw/zinc/27/89/39/185278939.db2.gz CQCWQEQKUONZQF-QAPCUYQASA-N 1 0 302.462 3.438 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCCNC(=O)C1CCC1)CCCO2 ZINC000090185398 185286501 /nfs/dbraw/zinc/28/65/01/185286501.db2.gz POJQRXSKRGGLCI-KRWDZBQOSA-N 1 0 316.445 3.105 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)C(C)(C)c2cccs2)CC1 ZINC000129466867 432005832 /nfs/dbraw/zinc/00/58/32/432005832.db2.gz DCAZGIRACVDCRX-UHFFFAOYSA-N 1 0 308.491 3.262 10 0 DGAERO C[N@@H+]1CCC[C@@]12CCN(c1cncc(OC3CCCC3)c1)C2 ZINC000090505027 185299347 /nfs/dbraw/zinc/29/93/47/185299347.db2.gz XYMFIVPKSWRINT-SFHVURJKSA-N 1 0 301.434 3.078 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000090572276 185304489 /nfs/dbraw/zinc/30/44/89/185304489.db2.gz WIVWFNUQAUOBEI-SFHVURJKSA-N 1 0 313.445 3.346 10 0 DGAERO COc1cccc([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000090666347 185308547 /nfs/dbraw/zinc/30/85/47/185308547.db2.gz PGVCQMNUUUKXAW-JTQLQIEISA-N 1 0 313.323 3.298 10 0 DGAERO c1cc(C[NH2+]CCCCNc2ccccn2)n(-c2ccccc2)n1 ZINC000279078809 214621699 /nfs/dbraw/zinc/62/16/99/214621699.db2.gz GVTGZNYZDORCFD-UHFFFAOYSA-N 1 0 321.428 3.249 10 0 DGAERO CCCC[C@H](COC)[NH2+]CCc1csc(N2CCCC2)n1 ZINC000129507724 432006391 /nfs/dbraw/zinc/00/63/91/432006391.db2.gz YHVYXIVAUYNKDV-CQSZACIVSA-N 1 0 311.495 3.081 10 0 DGAERO CSc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000129570335 432006556 /nfs/dbraw/zinc/00/65/56/432006556.db2.gz GKXGGNSKRHSLGI-UHFFFAOYSA-N 1 0 306.475 3.259 10 0 DGAERO COc1ccc(CC2CC[NH+](Cc3cn(C)nc3C)CC2)cc1 ZINC000092781374 185340122 /nfs/dbraw/zinc/34/01/22/185340122.db2.gz RTADABOFQQUIRK-UHFFFAOYSA-N 1 0 313.445 3.192 10 0 DGAERO COC(=O)c1ccccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788433 185341343 /nfs/dbraw/zinc/34/13/43/185341343.db2.gz RVEMKINWNRQGRK-AWEZNQCLSA-N 1 0 316.426 3.309 10 0 DGAERO c1cc(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)n[nH]1 ZINC000092810755 185342733 /nfs/dbraw/zinc/34/27/33/185342733.db2.gz LWYFENAUMUKUNW-UHFFFAOYSA-N 1 0 307.401 3.179 10 0 DGAERO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810649 185342931 /nfs/dbraw/zinc/34/29/31/185342931.db2.gz KTLUIQXRZSXHIH-UHFFFAOYSA-N 1 0 321.428 3.488 10 0 DGAERO CCCCS[C@H](C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129608888 432007013 /nfs/dbraw/zinc/00/70/13/432007013.db2.gz FYHLGKBHZCHMDC-WLYUNCDWSA-N 1 0 300.512 3.145 10 0 DGAERO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000172591343 299099585 /nfs/dbraw/zinc/09/95/85/299099585.db2.gz MQJHRGLJKTZPMO-RDJZCZTQSA-N 1 0 307.482 3.225 10 0 DGAERO CC(C)[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000181607857 199325662 /nfs/dbraw/zinc/32/56/62/199325662.db2.gz FLMSFQSEIPLNPT-YOEHRIQHSA-N 1 0 313.388 3.447 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000129645208 432007868 /nfs/dbraw/zinc/00/78/68/432007868.db2.gz BDZHFDYIYCRNRR-KBPBESRZSA-N 1 0 321.465 3.492 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](CCCc2ccc(C)cc2)C1 ZINC000181663494 199335206 /nfs/dbraw/zinc/33/52/06/199335206.db2.gz FEVOSFAFIIDJJJ-SFHVURJKSA-N 1 0 312.461 3.419 10 0 DGAERO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1F ZINC000102907534 185425810 /nfs/dbraw/zinc/42/58/10/185425810.db2.gz XITHQSJAKLPKOG-QGZVFWFLSA-N 1 0 300.377 3.167 10 0 DGAERO C[N@H+](CCOc1ccc(F)cc1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435140647 529925803 /nfs/dbraw/zinc/92/58/03/529925803.db2.gz UPAUZWOWFSTLJD-UHFFFAOYSA-N 1 0 315.348 3.320 10 0 DGAERO Cc1cccc2[nH]cc(CC(=O)NCC[N@H+]3CCCC[C@H]3C)c21 ZINC000103430613 432009296 /nfs/dbraw/zinc/00/92/96/432009296.db2.gz KHPUADYPFYVEGF-OAHLLOKOSA-N 1 0 313.445 3.009 10 0 DGAERO Cc1cnn(C)c1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000286724367 219130768 /nfs/dbraw/zinc/13/07/68/219130768.db2.gz XIPNXJLORKQLDI-YQQQUEKLSA-N 1 0 324.472 3.014 10 0 DGAERO C[N@@H+](Cc1ccoc1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443479026 530012611 /nfs/dbraw/zinc/01/26/11/530012611.db2.gz VXKDOAGPYAACMZ-AWEZNQCLSA-N 1 0 313.319 3.334 10 0 DGAERO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCC(=O)NC(C)C ZINC000181714578 199342549 /nfs/dbraw/zinc/34/25/49/199342549.db2.gz MGSZCYORODIILH-MRXNPFEDSA-N 1 0 306.450 3.287 10 0 DGAERO CC(C)CC[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)C(C)(C)C ZINC000130023727 432013140 /nfs/dbraw/zinc/01/31/40/432013140.db2.gz OFVQGJURZHGPIH-HZPDHXFCSA-N 1 0 311.514 3.430 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1cccs1)c1ccccc1 ZINC000115002282 185655292 /nfs/dbraw/zinc/65/52/92/185655292.db2.gz QFIMEYUFGAMKEG-OAHLLOKOSA-N 1 0 316.470 3.445 10 0 DGAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391538 432015886 /nfs/dbraw/zinc/01/58/86/432015886.db2.gz PNQBNRBEOAUOFH-GARJFASQSA-N 1 0 300.805 3.433 10 0 DGAERO C[C@@H](CNC(=O)N[C@@H]1CCc2cc(Cl)ccc21)[N@H+](C)C1CC1 ZINC000105185757 432018106 /nfs/dbraw/zinc/01/81/06/432018106.db2.gz JIAVXJSZYHOZFU-MEDUHNTESA-N 1 0 321.852 3.109 10 0 DGAERO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279712243 215083308 /nfs/dbraw/zinc/08/33/08/215083308.db2.gz LABGJVNTBNVPBS-ZBFHGGJFSA-N 1 0 304.434 3.422 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@](C)(O)c1ccccc1 ZINC000105896140 432019693 /nfs/dbraw/zinc/01/96/93/432019693.db2.gz PHEYNZDOHOAIJZ-HKUYNNGSSA-N 1 0 313.445 3.082 10 0 DGAERO C[N@@H+](Cc1ccccc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162710 432020496 /nfs/dbraw/zinc/02/04/96/432020496.db2.gz KVIHTCGBBYSDKY-KRWDZBQOSA-N 1 0 316.470 3.253 10 0 DGAERO Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccccc2F)n1 ZINC000070456227 190896769 /nfs/dbraw/zinc/89/67/69/190896769.db2.gz DNAGGCVZEXUAQU-CYBMUJFWSA-N 1 0 300.381 3.003 10 0 DGAERO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccccc1 ZINC000083992315 192394161 /nfs/dbraw/zinc/39/41/61/192394161.db2.gz KBBROERNKNWZLW-UHFFFAOYSA-N 1 0 303.431 3.344 10 0 DGAERO CCCN(Cc1nc(-c2ccoc2)no1)C[C@@H]1CCCCO1 ZINC000106867384 432023272 /nfs/dbraw/zinc/02/32/72/432023272.db2.gz DKZMCDSHKFPEKF-AWEZNQCLSA-N 1 0 305.378 3.111 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1Cc1cccc(Cl)c1 ZINC000071668867 191002383 /nfs/dbraw/zinc/00/23/83/191002383.db2.gz ZOCBPEWVOMCFCJ-AWEZNQCLSA-N 1 0 310.825 3.091 10 0 DGAERO CSCCCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000133652523 186003425 /nfs/dbraw/zinc/00/34/25/186003425.db2.gz YDTHJKGFNXJGTI-LLVKDONJSA-N 1 0 319.467 3.023 10 0 DGAERO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC[N@@H+](C3CC3)CC2)o1 ZINC000149087984 186047987 /nfs/dbraw/zinc/04/79/87/186047987.db2.gz BQGJZALIVOFEPG-HTFDGFGYSA-N 1 0 314.429 3.113 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000155692306 186103705 /nfs/dbraw/zinc/10/37/05/186103705.db2.gz LEWLGGBCZNMVLX-ZIAGYGMSSA-N 1 0 323.440 3.277 10 0 DGAERO c1ncn(C[C@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)n1 ZINC000171506647 186169971 /nfs/dbraw/zinc/16/99/71/186169971.db2.gz BTUTZSQPHVQJGX-KRWDZBQOSA-N 1 0 306.413 3.344 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1F ZINC000173331894 186177012 /nfs/dbraw/zinc/17/70/12/186177012.db2.gz WLMDJQLOUXQVNM-CHWSQXEVSA-N 1 0 309.360 3.055 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3ccccc3)o2)C1 ZINC000188016694 186244689 /nfs/dbraw/zinc/24/46/89/186244689.db2.gz ONUDFSOUINRTOI-RDTXWAMCSA-N 1 0 300.402 3.325 10 0 DGAERO Cc1csc2c1ncnc2N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000189984640 186259065 /nfs/dbraw/zinc/25/90/65/186259065.db2.gz UPOVBBQBKJDZKQ-KGLIPLIRSA-N 1 0 316.474 3.451 10 0 DGAERO Cc1c([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000191834006 186260946 /nfs/dbraw/zinc/26/09/46/186260946.db2.gz CRRCDXWRIQNXTG-LXIYXOSZSA-N 1 0 317.408 3.395 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194229003 186271057 /nfs/dbraw/zinc/27/10/57/186271057.db2.gz WQGJESHGHZBWHF-UHFFFAOYSA-N 1 0 300.406 3.162 10 0 DGAERO C[C@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000237490197 186296501 /nfs/dbraw/zinc/29/65/01/186296501.db2.gz LWEKOQAQWOJVGE-JKXDFHQYSA-N 1 0 304.409 3.061 10 0 DGAERO Cc1cc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)ccc1F ZINC000106917328 432025841 /nfs/dbraw/zinc/02/58/41/432025841.db2.gz VFRNIVUHQKVSJR-QGZVFWFLSA-N 1 0 300.377 3.246 10 0 DGAERO CSCCCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000130462762 432026122 /nfs/dbraw/zinc/02/61/22/432026122.db2.gz KLFKFAFMOUZOGM-UHFFFAOYSA-N 1 0 301.839 3.344 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000130514072 432026702 /nfs/dbraw/zinc/02/67/02/432026702.db2.gz APKQHXGNZPMFCZ-WMLDXEAASA-N 1 0 315.413 3.396 10 0 DGAERO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H](C)O ZINC000107042220 432026825 /nfs/dbraw/zinc/02/68/25/432026825.db2.gz VPWQYDSIXCHSTM-JTQLQIEISA-N 1 0 319.232 3.023 10 0 DGAERO CCCNC(=O)C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000182039418 199377954 /nfs/dbraw/zinc/37/79/54/199377954.db2.gz NXSDEOKCZCXQJN-INIZCTEOSA-N 1 0 302.462 3.103 10 0 DGAERO CC(C)c1nnc2n1C[C@H](Nc1cc[nH+]c3ccccc13)CC2 ZINC000171887577 198001451 /nfs/dbraw/zinc/00/14/51/198001451.db2.gz CPTMWTHDJFVQCN-CYBMUJFWSA-N 1 0 307.401 3.377 10 0 DGAERO CC(C)c1nnc2n1C[C@@H](Nc1cc[nH+]c3ccccc13)CC2 ZINC000171887578 198001471 /nfs/dbraw/zinc/00/14/71/198001471.db2.gz CPTMWTHDJFVQCN-ZDUSSCGKSA-N 1 0 307.401 3.377 10 0 DGAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](C)Cc1ccccc1)CC2 ZINC000182042388 199378387 /nfs/dbraw/zinc/37/83/87/199378387.db2.gz WTFBOURIKOHYQW-YTQUADARSA-N 1 0 317.473 3.117 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)CC2 ZINC000171981092 198020360 /nfs/dbraw/zinc/02/03/60/198020360.db2.gz BIZJJMIEAJXCMD-SWLSCSKDSA-N 1 0 302.397 3.206 10 0 DGAERO CC(C)(C)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000172033713 198029691 /nfs/dbraw/zinc/02/96/91/198029691.db2.gz VYCDDWURHFGICQ-UHFFFAOYSA-N 1 0 305.447 3.014 10 0 DGAERO CCS[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)C(C)C ZINC000130543199 432027412 /nfs/dbraw/zinc/02/74/12/432027412.db2.gz AAJHQROCNZZNDS-NRXISQOPSA-N 1 0 300.512 3.001 10 0 DGAERO CCSc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000172216700 198058950 /nfs/dbraw/zinc/05/89/50/198058950.db2.gz VIUHQJCFRMLTDW-AWEZNQCLSA-N 1 0 305.447 3.111 10 0 DGAERO CC(C)(C)C[C@@H](CO)[NH2+]Cc1ccsc1Br ZINC000393417983 323673144 /nfs/dbraw/zinc/67/31/44/323673144.db2.gz BPCXJOBPLNBEMU-JTQLQIEISA-N 1 0 306.269 3.397 10 0 DGAERO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000173209111 198196211 /nfs/dbraw/zinc/19/62/11/198196211.db2.gz VMMYDHDOJJMNMY-UZLBHIALSA-N 1 0 321.424 3.431 10 0 DGAERO CCCCN(C)c1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000107384173 432031432 /nfs/dbraw/zinc/03/14/32/432031432.db2.gz MQIGHWWUPFWGPU-KRWDZBQOSA-N 1 0 318.465 3.091 10 0 DGAERO CC(C)c1nc(C2(NC[C@@H](O)c3ccccc3)CCCC2)no1 ZINC000173702236 198242140 /nfs/dbraw/zinc/24/21/40/198242140.db2.gz QXXWSGZNQWYWJX-OAHLLOKOSA-N 1 0 315.417 3.286 10 0 DGAERO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccnc1 ZINC000173904801 198267282 /nfs/dbraw/zinc/26/72/82/198267282.db2.gz RRPLCDITSJNMAM-INIZCTEOSA-N 1 0 323.440 3.097 10 0 DGAERO CC(C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)[NH+]1CCC(C)CC1 ZINC000173939895 198270895 /nfs/dbraw/zinc/27/08/95/198270895.db2.gz LCLQVERVACETKR-SJLPKXTDSA-N 1 0 317.477 3.058 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3ccn(C)c3c2)CC[N@@H+]1C ZINC000173813248 198255804 /nfs/dbraw/zinc/25/58/04/198255804.db2.gz PENJWXMHDNWPQO-XJKSGUPXSA-N 1 0 314.433 3.125 10 0 DGAERO CC(C)[C@H]([NH2+]CCSCCCO)c1ccc(F)c(F)c1 ZINC000182067924 199382560 /nfs/dbraw/zinc/38/25/60/199382560.db2.gz ICKFEWRGVWERIE-HNNXBMFYSA-N 1 0 303.418 3.367 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3ccncc3)C2)c1 ZINC000174107577 198292143 /nfs/dbraw/zinc/29/21/43/198292143.db2.gz TYDMVQBFDZTFOX-WBVHZDCISA-N 1 0 311.429 3.410 10 0 DGAERO Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174118337 198293967 /nfs/dbraw/zinc/29/39/67/198293967.db2.gz USAUOGZSQKXSGO-JZXOWHBKSA-N 1 0 317.477 3.050 10 0 DGAERO O=C(c1ccc(Cl)s1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107529244 432033059 /nfs/dbraw/zinc/03/30/59/432033059.db2.gz VBRIKMAEUVGYBF-GFCCVEGCSA-N 1 0 312.866 3.492 10 0 DGAERO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)sc1C ZINC000107526945 432033319 /nfs/dbraw/zinc/03/33/19/432033319.db2.gz UJVGKWDYLUFGQC-OAHLLOKOSA-N 1 0 306.475 3.455 10 0 DGAERO CSc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174426671 198334006 /nfs/dbraw/zinc/33/40/06/198334006.db2.gz BQBNECMYXVTKIN-CHWSQXEVSA-N 1 0 307.463 3.355 10 0 DGAERO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1c1cccc(F)c1 ZINC000174444677 198335303 /nfs/dbraw/zinc/33/53/03/198335303.db2.gz NULWZFVDWUJIHE-CXAGYDPISA-N 1 0 304.409 3.077 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc3cccnc32)CC[N@@H+]1C ZINC000174611254 198358534 /nfs/dbraw/zinc/35/85/34/198358534.db2.gz DVGBRILETRWIND-DZGCQCFKSA-N 1 0 312.417 3.181 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)c1cccnc1)CC(C)C ZINC000174826287 198390676 /nfs/dbraw/zinc/39/06/76/198390676.db2.gz BAMRKGLNVVYGHZ-RDJZCZTQSA-N 1 0 305.466 3.058 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000182165020 199396526 /nfs/dbraw/zinc/39/65/26/199396526.db2.gz AGSSENDQNQGMQS-HNAYVOBHSA-N 1 0 317.477 3.416 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)Cc1nnc(-c2ccco2)o1 ZINC000179052046 432035420 /nfs/dbraw/zinc/03/54/20/432035420.db2.gz OCXQOVUJLNNOHP-UHFFFAOYSA-N 1 0 318.402 3.239 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)o1 ZINC000067707752 432036475 /nfs/dbraw/zinc/03/64/75/432036475.db2.gz QFPUANAZHXSRND-ZFWWWQNUSA-N 1 0 307.438 3.069 10 0 DGAERO c1cn(-c2ccc(CN3CCCC[C@@H]([NH+]4CCCC4)C3)cc2)cn1 ZINC000107697245 432037536 /nfs/dbraw/zinc/03/75/36/432037536.db2.gz WUMYMMQNWLHFDR-HXUWFJFHSA-N 1 0 324.472 3.323 10 0 DGAERO CCCCCOc1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1 ZINC000236770723 202002053 /nfs/dbraw/zinc/00/20/53/202002053.db2.gz AUUPQPGLTLQILT-UHFFFAOYSA-N 1 0 304.434 3.080 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000163649505 432037896 /nfs/dbraw/zinc/03/78/96/432037896.db2.gz XAMSDVZUXXVJOK-AWEZNQCLSA-N 1 0 320.396 3.311 10 0 DGAERO CC(C)[C@H]([NH3+])C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000236804363 202018707 /nfs/dbraw/zinc/01/87/07/202018707.db2.gz WAFWZRGLHSRABB-INIZCTEOSA-N 1 0 315.442 3.296 10 0 DGAERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CCC1=CCCC1 ZINC000182664315 199471777 /nfs/dbraw/zinc/47/17/77/199471777.db2.gz GMJPVTIEBVFQID-UHFFFAOYSA-N 1 0 319.449 3.042 10 0 DGAERO C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000107762365 432041268 /nfs/dbraw/zinc/04/12/68/432041268.db2.gz DFKPZGFLGMMALE-VQTJNVASSA-N 1 0 322.452 3.496 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc3c2OC(C)(C)C3)cn1 ZINC000131866445 432041849 /nfs/dbraw/zinc/04/18/49/432041849.db2.gz ANOYIQKHWCCWJD-QGZVFWFLSA-N 1 0 311.429 3.471 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000248126179 283045871 /nfs/dbraw/zinc/04/58/71/283045871.db2.gz VNIBWNVXMYKEDB-RTBURBONSA-N 1 0 320.436 3.280 10 0 DGAERO CCc1ccc([C@H](CNC(=O)N(C)C2CCC2)[NH+](C)C)cc1 ZINC000073493908 191321336 /nfs/dbraw/zinc/32/13/36/191321336.db2.gz HPEQXFVUFFJBSP-KRWDZBQOSA-N 1 0 303.450 3.046 10 0 DGAERO C[NH2+]C1CCN(C(=O)CSc2ccc3ccccc3c2)CC1 ZINC000179136287 432045410 /nfs/dbraw/zinc/04/54/10/432045410.db2.gz BGJHLJALRHXHJT-UHFFFAOYSA-N 1 0 314.454 3.142 10 0 DGAERO Cc1cc(C)c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC000164197739 432046001 /nfs/dbraw/zinc/04/60/01/432046001.db2.gz VGDCTHRCWDZBQD-HOTGVXAUSA-N 1 0 303.450 3.462 10 0 DGAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC2=CCCC2)C1 ZINC000164178945 432046329 /nfs/dbraw/zinc/04/63/29/432046329.db2.gz KBZULBGRHCHRRP-MRXNPFEDSA-N 1 0 307.482 3.298 10 0 DGAERO Fc1ccc(OC2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000077175720 191669103 /nfs/dbraw/zinc/66/91/03/191669103.db2.gz UTZSASUWJDPBHW-UHFFFAOYSA-N 1 0 306.425 3.155 10 0 DGAERO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(O)cc1C1CCCC1 ZINC000005352892 181233853 /nfs/dbraw/zinc/23/38/53/181233853.db2.gz PYXBIIXXYVBVLU-HNNXBMFYSA-N 1 0 307.434 3.178 10 0 in-vitro DGAERO CC[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(OC(F)F)cc1 ZINC000164775562 432052288 /nfs/dbraw/zinc/05/22/88/432052288.db2.gz VOJVWHVNTSYETC-UONOGXRCSA-N 1 0 322.359 3.455 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000080161761 192008578 /nfs/dbraw/zinc/00/85/78/192008578.db2.gz YNNTVSWMWWOSJC-UHFFFAOYSA-N 1 0 321.490 3.275 10 0 DGAERO Cc1cccc2[nH]cc(CC[NH2+][C@H]3CCCc4c3cnn4C)c21 ZINC000165273826 432054298 /nfs/dbraw/zinc/05/42/98/432054298.db2.gz WVSYBQQHGODETR-INIZCTEOSA-N 1 0 308.429 3.420 10 0 DGAERO CCc1sc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC000080716767 192184317 /nfs/dbraw/zinc/18/43/17/192184317.db2.gz HHWHAYDRQLZSQU-AGUYFDCRSA-N 1 0 306.475 3.364 10 0 DGAERO C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000080715810 192184881 /nfs/dbraw/zinc/18/48/81/192184881.db2.gz JAESNOKOQZAILU-DXJOGWAWSA-N 1 0 318.436 3.451 10 0 DGAERO CCOc1c(F)cccc1C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000081335620 192251972 /nfs/dbraw/zinc/25/19/72/192251972.db2.gz MKTCFAKZTGNVIT-CQSZACIVSA-N 1 0 322.424 3.028 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000081333040 192252272 /nfs/dbraw/zinc/25/22/72/192252272.db2.gz GOIKIDJGUAHSNP-OAHLLOKOSA-N 1 0 318.436 3.048 10 0 DGAERO CC(C)[NH2+][C@H](C)Cc1ccc(I)s1 ZINC000005760614 181281622 /nfs/dbraw/zinc/28/16/22/181281622.db2.gz UXCJAYXBMCWBPN-MRVPVSSYSA-N 1 0 309.216 3.282 10 0 DGAERO c1nn2ccccc2c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000179421516 432057815 /nfs/dbraw/zinc/05/78/15/432057815.db2.gz OVYKKXXIUUJSJJ-INIZCTEOSA-N 1 0 321.380 3.400 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)N(C3CC3)C1)CCCO2 ZINC000166285872 432059400 /nfs/dbraw/zinc/05/94/00/432059400.db2.gz FCNSGVYVXAWLLI-HDMKZQKVSA-N 1 0 300.446 3.424 10 0 DGAERO CC(C)c1csc([C@H]2CCCN(C(=O)C3([NH3+])CCCC3)C2)n1 ZINC000236875890 202048293 /nfs/dbraw/zinc/04/82/93/202048293.db2.gz SDBALSJHOLVJSE-ZDUSSCGKSA-N 1 0 321.490 3.244 10 0 DGAERO CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000179473361 432059662 /nfs/dbraw/zinc/05/96/62/432059662.db2.gz NWYWMMJDDQITLW-ROUUACIJSA-N 1 0 315.461 3.406 10 0 DGAERO CCN(Cc1cccc(F)c1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000236942043 202084451 /nfs/dbraw/zinc/08/44/51/202084451.db2.gz SVWVCALRKKYDSC-GOSISDBHSA-N 1 0 300.377 3.048 10 0 DGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000166453649 432060670 /nfs/dbraw/zinc/06/06/70/432060670.db2.gz PDMMLWMKPQJHMI-WMZOPIPTSA-N 1 0 312.461 3.357 10 0 DGAERO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1cccc2[nH]ccc21 ZINC000237014919 202122662 /nfs/dbraw/zinc/12/26/62/202122662.db2.gz BTEJUXXLQUCBQS-GOSISDBHSA-N 1 0 307.441 3.430 10 0 DGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1 ZINC000236979977 202107183 /nfs/dbraw/zinc/10/71/83/202107183.db2.gz LUXGWVRXEWNIOG-WBMJQRKESA-N 1 0 300.406 3.005 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000237016816 202124351 /nfs/dbraw/zinc/12/43/51/202124351.db2.gz VLXXVQBTOAOYDJ-QMTHXVAHSA-N 1 0 303.431 3.430 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000166678002 432061521 /nfs/dbraw/zinc/06/15/21/432061521.db2.gz CQBXYEHBPRGGTP-KGLIPLIRSA-N 1 0 307.401 3.383 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2sc(-c3cccs3)nc2C)CC1 ZINC000237161817 202171178 /nfs/dbraw/zinc/17/11/78/202171178.db2.gz CRTIJHGMIGTLLX-UHFFFAOYSA-N 1 0 321.471 3.004 10 0 DGAERO C[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000133381522 432062448 /nfs/dbraw/zinc/06/24/48/432062448.db2.gz WPONGZLQKSQQQS-IXDOHACOSA-N 1 0 302.466 3.204 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cnn(C(C)C)c1 ZINC000179540863 432062027 /nfs/dbraw/zinc/06/20/27/432062027.db2.gz KZASOLKOKBXDHO-INIZCTEOSA-N 1 0 301.438 3.151 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C(C)(C)C)n1 ZINC000179568905 432062990 /nfs/dbraw/zinc/06/29/90/432062990.db2.gz UQFCDZVGJZGJRM-LBPRGKRZSA-N 1 0 303.372 3.492 10 0 DGAERO CN(C(=O)CCc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237205530 202188731 /nfs/dbraw/zinc/18/87/31/202188731.db2.gz XSAQJHDAQJMJKQ-YIONKMFJSA-N 1 0 306.837 3.014 10 0 DGAERO O=C(CCCc1cccs1)Nc1cccc2c1C[NH2+]CC2 ZINC000167387114 432065310 /nfs/dbraw/zinc/06/53/10/432065310.db2.gz UPMYSXWNQLBUPW-UHFFFAOYSA-N 1 0 300.427 3.355 10 0 DGAERO Clc1cc(C[NH2+][C@@H]2CCCOC2)ccc1Br ZINC000276890659 213157978 /nfs/dbraw/zinc/15/79/78/213157978.db2.gz GHVKNNCCWBMFDT-SNVBAGLBSA-N 1 0 304.615 3.371 10 0 DGAERO C[NH+]1CCC(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000179724955 432068076 /nfs/dbraw/zinc/06/80/76/432068076.db2.gz AZNHLIWUANRFGA-OAHLLOKOSA-N 1 0 322.836 3.012 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000168487948 432069175 /nfs/dbraw/zinc/06/91/75/432069175.db2.gz BFDIFFACZPQNJJ-GJYPPUQNSA-N 1 0 301.478 3.460 10 0 DGAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)NC1CCC2(CC2)CC1 ZINC000333411761 295945259 /nfs/dbraw/zinc/94/52/59/295945259.db2.gz ZYLAYPNPOSZYOG-UHFFFAOYSA-N 1 0 317.408 3.316 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000179779025 432070405 /nfs/dbraw/zinc/07/04/05/432070405.db2.gz DJFLVHHGHVDDNM-GOSISDBHSA-N 1 0 318.436 3.139 10 0 DGAERO Cc1scc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1C ZINC000179799616 432070820 /nfs/dbraw/zinc/07/08/20/432070820.db2.gz RHRKWUPAYKOVHF-INIZCTEOSA-N 1 0 316.470 3.268 10 0 DGAERO Cc1cccc(COc2ccc([C@H](C)[NH2+][C@H]3CCNC3=O)cc2)c1 ZINC000179066603 198977574 /nfs/dbraw/zinc/97/75/74/198977574.db2.gz AEHOZHQJEKUYGP-KXBFYZLASA-N 1 0 324.424 3.113 10 0 DGAERO CC(C)C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000179805512 199082678 /nfs/dbraw/zinc/08/26/78/199082678.db2.gz AKVKRMRCGLQGML-AGIUHOORSA-N 1 0 318.425 3.110 10 0 DGAERO CC[C@H]1CCC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000185078022 199806293 /nfs/dbraw/zinc/80/62/93/199806293.db2.gz IGIZIFMWYUYARB-GOEBONIOSA-N 1 0 321.440 3.116 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000180156957 199124002 /nfs/dbraw/zinc/12/40/02/199124002.db2.gz VNIBWNVXMYKEDB-MOPGFXCFSA-N 1 0 320.436 3.280 10 0 DGAERO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000180156313 199124322 /nfs/dbraw/zinc/12/43/22/199124322.db2.gz OXBNBOQULUSZLN-DOTOQJQBSA-N 1 0 306.837 3.392 10 0 DGAERO CSc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)o1 ZINC000180178503 199126818 /nfs/dbraw/zinc/12/68/18/199126818.db2.gz IQCWGUJFBOBYNC-CJNGLKHVSA-N 1 0 316.426 3.177 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000180254867 199137126 /nfs/dbraw/zinc/13/71/26/199137126.db2.gz BAWSYSKWEIAMGA-IEBWSBKVSA-N 1 0 316.489 3.343 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237316155 202228213 /nfs/dbraw/zinc/22/82/13/202228213.db2.gz BCLCXKHCTGQQOV-MACMSNGSSA-N 1 0 302.418 3.253 10 0 DGAERO Cc1ccc(C[C@@H](C)N(C)C(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000237297746 202222227 /nfs/dbraw/zinc/22/22/27/202222227.db2.gz DJCOWQREDCXVID-DLBZAZTESA-N 1 0 316.489 3.410 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)CC2 ZINC000180520922 199170797 /nfs/dbraw/zinc/17/07/97/199170797.db2.gz BYAWMDDCBTYZTQ-AAEUAGOBSA-N 1 0 319.840 3.116 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(-c2ccccc2)o1 ZINC000180581230 199179408 /nfs/dbraw/zinc/17/94/08/199179408.db2.gz JQAWDHISQMTFKA-DZGCQCFKSA-N 1 0 308.385 3.204 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000237367947 202245123 /nfs/dbraw/zinc/24/51/23/202245123.db2.gz LVXKINZDOWOQPU-OCCSQVGLSA-N 1 0 316.376 3.285 10 0 DGAERO Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3ncnn3C1)CCS2 ZINC000180602045 199183562 /nfs/dbraw/zinc/18/35/62/199183562.db2.gz GNQHBAMAYNSIOE-YPMHNXCESA-N 1 0 320.849 3.073 10 0 DGAERO CCCc1csc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000180630167 199187541 /nfs/dbraw/zinc/18/75/41/199187541.db2.gz ATZDHODXVUZYKN-CYBMUJFWSA-N 1 0 310.467 3.044 10 0 DGAERO CC(C)C(=O)NCC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000179993608 432076755 /nfs/dbraw/zinc/07/67/55/432076755.db2.gz CEPSVAAAVXGFEH-UHFFFAOYSA-N 1 0 322.452 3.236 10 0 DGAERO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000170688287 432077237 /nfs/dbraw/zinc/07/72/37/432077237.db2.gz QGHRZRIBNKXOLY-ZDUSSCGKSA-N 1 0 317.385 3.220 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@@H]1c1ccccc1 ZINC000180141706 432079328 /nfs/dbraw/zinc/07/93/28/432079328.db2.gz XTNBXRYLQBNMKP-IRXDYDNUSA-N 1 0 316.351 3.140 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000180123898 432079464 /nfs/dbraw/zinc/07/94/64/432079464.db2.gz ZMIBOWQOYXUFQN-UHFFFAOYSA-N 1 0 324.472 3.385 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccc(C)cc1)C1CC1)CC2 ZINC000180168201 432079947 /nfs/dbraw/zinc/07/99/47/432079947.db2.gz SGNIPFYGWUHOAE-VQIMIIECSA-N 1 0 310.445 3.205 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000180167064 432079794 /nfs/dbraw/zinc/07/97/94/432079794.db2.gz BMPNOOPQNVFTNU-OAHLLOKOSA-N 1 0 324.431 3.180 10 0 DGAERO CS[C@@H]1CCCC[N@H+](Cc2nc3oc(C)c(C)c3c(N)n2)C1 ZINC000134591508 432081024 /nfs/dbraw/zinc/08/10/24/432081024.db2.gz LDACNGJLKOIUTJ-GFCCVEGCSA-N 1 0 320.462 3.139 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)c(OC)c(C)c1 ZINC000180312018 432083242 /nfs/dbraw/zinc/08/32/42/432083242.db2.gz JANNKMSBTKRHFD-IAGOWNOFSA-N 1 0 316.445 3.011 10 0 DGAERO COc1ccc2cc([C@@H](C)[NH2+]CCc3nc(C)no3)ccc2c1 ZINC000089518611 192807399 /nfs/dbraw/zinc/80/73/99/192807399.db2.gz KULBJKWMLZUFNC-GFCCVEGCSA-N 1 0 311.385 3.433 10 0 DGAERO c1c(CN2CC[NH2+]C[C@H]2c2ccccc2)[nH]nc1-c1ccccc1 ZINC000415131513 237099015 /nfs/dbraw/zinc/09/90/15/237099015.db2.gz SNGWXSAHORNBHF-FQEVSTJZSA-N 1 0 318.424 3.223 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000186824854 200016820 /nfs/dbraw/zinc/01/68/20/200016820.db2.gz ZOCINBGWFWKBBD-LTDKPHRXSA-N 1 0 300.446 3.075 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000186824889 200017116 /nfs/dbraw/zinc/01/71/16/200017116.db2.gz ZOCINBGWFWKBBD-AGERRDQYSA-N 1 0 300.446 3.075 10 0 DGAERO Cc1ccc2nc(C3CC3)cc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)c2c1 ZINC000186858846 200023417 /nfs/dbraw/zinc/02/34/17/200023417.db2.gz ICCCVHKBRGQAOA-BFUOFWGJSA-N 1 0 323.440 3.148 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(C)C)c(OCC[NH+](C)C)c1 ZINC000186879910 200025934 /nfs/dbraw/zinc/02/59/34/200025934.db2.gz YQJDQFXDKCXNMN-CABCVRRESA-N 1 0 304.434 3.166 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000186877525 200026004 /nfs/dbraw/zinc/02/60/04/200026004.db2.gz MTOFXOYEXNIMPX-HZMBPMFUSA-N 1 0 315.244 3.040 10 0 DGAERO Cc1ccc(-c2ccsc2C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000186880406 200026246 /nfs/dbraw/zinc/02/62/46/200026246.db2.gz OZYACCMTWRCZRK-CZUORRHYSA-N 1 0 314.454 3.451 10 0 DGAERO COc1ccc(-c2ccncc2)cc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000186877464 200026333 /nfs/dbraw/zinc/02/63/33/200026333.db2.gz YFHDDBIXAQCSIO-SFHVURJKSA-N 1 0 312.413 3.368 10 0 DGAERO Cc1ccc([C@@H](CNC(=O)N2CCCC2(C)C)[NH+]2CCCC2)o1 ZINC000170834325 432083997 /nfs/dbraw/zinc/08/39/97/432083997.db2.gz DEVFHURUFUPUEI-OAHLLOKOSA-N 1 0 319.449 3.309 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000186996396 200045064 /nfs/dbraw/zinc/04/50/64/200045064.db2.gz UWDXYMMHVCMMEV-IUODEOHRSA-N 1 0 323.387 3.499 10 0 DGAERO O=C(NCCCCC[NH+]1CCCCC1)c1scnc1C1CC1 ZINC000089808342 192875865 /nfs/dbraw/zinc/87/58/65/192875865.db2.gz STSJWFKDSNOABR-UHFFFAOYSA-N 1 0 321.490 3.407 10 0 DGAERO C[C@H](C[NH+]1CCN(c2cccnn2)CC1)c1cccc(Cl)c1 ZINC000187112301 200063383 /nfs/dbraw/zinc/06/33/83/200063383.db2.gz OMKDHUMXQCFQDI-CQSZACIVSA-N 1 0 316.836 3.056 10 0 DGAERO CCc1cnc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)s1 ZINC000187375732 200103502 /nfs/dbraw/zinc/10/35/02/200103502.db2.gz XLYLTJVCAGFEGY-LBPRGKRZSA-N 1 0 310.467 3.092 10 0 DGAERO Cc1noc(CC[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)n1 ZINC000187321555 200095195 /nfs/dbraw/zinc/09/51/95/200095195.db2.gz ZCEPSODIGTYFNV-CQSZACIVSA-N 1 0 303.431 3.364 10 0 DGAERO C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc2ccccc2c1 ZINC000170862871 432084808 /nfs/dbraw/zinc/08/48/08/432084808.db2.gz SENWUFQFLNKGLP-KBXCAEBGSA-N 1 0 311.429 3.246 10 0 DGAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)COC2 ZINC000187676148 200142940 /nfs/dbraw/zinc/14/29/40/200142940.db2.gz CPAJKBQAXUEXQC-CQSZACIVSA-N 1 0 317.433 3.103 10 0 DGAERO Cc1ccc2c(C[N@@H+](C)[C@@]3(CO)CC[C@H](C)C3)cc(=O)oc2c1 ZINC000187931294 200178259 /nfs/dbraw/zinc/17/82/59/200178259.db2.gz LCLMJUCFSJJNNP-LIRRHRJNSA-N 1 0 315.413 3.084 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2coc(-c3ccccc3)n2)C1 ZINC000187948481 200181428 /nfs/dbraw/zinc/18/14/28/200181428.db2.gz SMUWCVUWJRNLFD-KBXCAEBGSA-N 1 0 300.402 3.325 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188116535 200195926 /nfs/dbraw/zinc/19/59/26/200195926.db2.gz JXHYDHQOVUYJIW-HHXXYDBFSA-N 1 0 324.472 3.489 10 0 DGAERO COc1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)C(C)C ZINC000187977439 200185356 /nfs/dbraw/zinc/18/53/56/200185356.db2.gz BSVKSULJNNBGSU-NXHRZFHOSA-N 1 0 305.462 3.403 10 0 DGAERO Cc1cc(F)ccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188058551 200187780 /nfs/dbraw/zinc/18/77/80/200187780.db2.gz WJOKKEFSTJBSNL-RDJZCZTQSA-N 1 0 305.418 3.404 10 0 DGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1c[nH]nc1C1CC1 ZINC000188130477 200198886 /nfs/dbraw/zinc/19/88/86/200198886.db2.gz DPSIQYBQMCTGJD-UHFFFAOYSA-N 1 0 310.401 3.135 10 0 DGAERO CO[C@H]1C[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC[C@@H]1C ZINC000188304243 200224482 /nfs/dbraw/zinc/22/44/82/200224482.db2.gz DIJUMHWJTPJOFC-NHYWBVRUSA-N 1 0 321.371 3.212 10 0 DGAERO Cc1ccc([C@H](C[NH2+]Cc2ccc3c[nH]nc3c2)N2CCCC2)o1 ZINC000237655324 202320348 /nfs/dbraw/zinc/32/03/48/202320348.db2.gz HXZWRUHRCCJHSW-SFHVURJKSA-N 1 0 324.428 3.391 10 0 DGAERO CCn1ccnc1CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134836821 432086817 /nfs/dbraw/zinc/08/68/17/432086817.db2.gz XOZWIWPCOJGVAN-INIZCTEOSA-N 1 0 315.392 3.280 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)CC2CCCC2)c1 ZINC000188631253 200278278 /nfs/dbraw/zinc/27/82/78/200278278.db2.gz IUTYJKXLBLJZIK-SCLBCKFNSA-N 1 0 304.434 3.237 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000188952236 200327085 /nfs/dbraw/zinc/32/70/85/200327085.db2.gz WKAKSYPIMLSOEV-UONOGXRCSA-N 1 0 317.351 3.015 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCCCc2ccc(F)cc2)C1 ZINC000189111380 200350131 /nfs/dbraw/zinc/35/01/31/200350131.db2.gz PBLLQZLNUAJMKG-QGZVFWFLSA-N 1 0 306.425 3.091 10 0 DGAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000180505867 432088163 /nfs/dbraw/zinc/08/81/63/432088163.db2.gz DYJYSASMLLYEMT-WCQYABFASA-N 1 0 319.478 3.140 10 0 DGAERO Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000189250129 200369423 /nfs/dbraw/zinc/36/94/23/200369423.db2.gz FOEVJMLFPURZOU-AWEZNQCLSA-N 1 0 314.408 3.440 10 0 DGAERO COc1c(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)c(C)nn1C ZINC000189407443 200395881 /nfs/dbraw/zinc/39/58/81/200395881.db2.gz MUVAVLVOJDFAOK-IAGOWNOFSA-N 1 0 313.445 3.238 10 0 DGAERO CCCn1cc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cn1 ZINC000180538931 432088743 /nfs/dbraw/zinc/08/87/43/432088743.db2.gz GKEVEUZYBDPTAC-IBGZPJMESA-N 1 0 313.445 3.127 10 0 DGAERO CCC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)C[C@@H]1CCCCO1 ZINC000170958379 432089222 /nfs/dbraw/zinc/08/92/22/432089222.db2.gz IBVJIJHSAVZWDN-AWEZNQCLSA-N 1 0 309.406 3.156 10 0 DGAERO c1c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)[nH]nc1-c1ccccc1 ZINC000428399675 238019403 /nfs/dbraw/zinc/01/94/03/238019403.db2.gz NTAZMVNFZPEQDL-GOSISDBHSA-N 1 0 311.429 3.468 10 0 DGAERO COCC[C@](C)(O)C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000180554812 432090055 /nfs/dbraw/zinc/09/00/55/432090055.db2.gz UFPGTGGCKJSJLV-PMACEKPBSA-N 1 0 313.441 3.462 10 0 DGAERO c1cn(-c2csc(C[N@H+]3CCC[C@H](OCC4CC4)C3)c2)cn1 ZINC000428374041 238017908 /nfs/dbraw/zinc/01/79/08/238017908.db2.gz PETLTUUJCYBMFB-INIZCTEOSA-N 1 0 317.458 3.325 10 0 DGAERO CC[C@H]([NH2+]CC1(C)OCCCO1)c1ccccc1OC(F)F ZINC000190661910 200570920 /nfs/dbraw/zinc/57/09/20/200570920.db2.gz DEZRFYRNCKEJIY-ZDUSSCGKSA-N 1 0 315.360 3.482 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180640086 432093263 /nfs/dbraw/zinc/09/32/63/432093263.db2.gz SMJBCVWHTHFUPC-DGCLKSJQSA-N 1 0 319.478 3.140 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1c3ccccc3C[C@@H]1C)CC2 ZINC000180636220 432093330 /nfs/dbraw/zinc/09/33/30/432093330.db2.gz ISHRGUAPCGMPRK-JOQOYGCGSA-N 1 0 310.445 3.239 10 0 DGAERO Cc1ccc([C@H](CNC(=O)N2CCC23CCC3)[NH+]2CCCC2)o1 ZINC000435508085 238314297 /nfs/dbraw/zinc/31/42/97/238314297.db2.gz RLYBFFSHUNVZDS-HNNXBMFYSA-N 1 0 317.433 3.063 10 0 DGAERO CCc1cc(C)c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000135000849 432093937 /nfs/dbraw/zinc/09/39/37/432093937.db2.gz XFQIYDHBRKFJFZ-CQSZACIVSA-N 1 0 306.450 3.392 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3ccc(C)cc31)CC2 ZINC000180620947 432094194 /nfs/dbraw/zinc/09/41/94/432094194.db2.gz STZVQWGBSLBQHB-DOTOQJQBSA-N 1 0 310.445 3.131 10 0 DGAERO CCc1cc(C)c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000135000828 432094741 /nfs/dbraw/zinc/09/47/41/432094741.db2.gz XFQIYDHBRKFJFZ-AWEZNQCLSA-N 1 0 306.450 3.392 10 0 DGAERO O[C@H](Cc1ccccc1)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000193523633 201068142 /nfs/dbraw/zinc/06/81/42/201068142.db2.gz GOTOFLFCAUATBE-GOSISDBHSA-N 1 0 311.425 3.133 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccccc2Cl)o1 ZINC000193602073 201083290 /nfs/dbraw/zinc/08/32/90/201083290.db2.gz AVVGWTCCNQVOKZ-DZGCQCFKSA-N 1 0 323.820 3.470 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cc(C)ccc2C)o1 ZINC000193601366 201084486 /nfs/dbraw/zinc/08/44/86/201084486.db2.gz XMBSXRXUTCGBLI-HOTGVXAUSA-N 1 0 303.402 3.295 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(Cl)s1 ZINC000193714587 201109484 /nfs/dbraw/zinc/10/94/84/201109484.db2.gz ZGPNJEGQFCVHHQ-NWDGAFQWSA-N 1 0 312.866 3.029 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cc(Br)cs1 ZINC000193995038 201159629 /nfs/dbraw/zinc/15/96/29/201159629.db2.gz VYSIGVRMXZZVHG-KOLCDFICSA-N 1 0 303.269 3.255 10 0 DGAERO C[C@H]1C[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CCS1 ZINC000246123133 432097571 /nfs/dbraw/zinc/09/75/71/432097571.db2.gz LHAVQDJEGUOIOP-YOEHRIQHSA-N 1 0 318.486 3.008 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000246130756 432098706 /nfs/dbraw/zinc/09/87/06/432098706.db2.gz IXQSMGJFDBPTED-KYJSFNMBSA-N 1 0 315.461 3.188 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)sc(=O)n3C)o1 ZINC000195119668 201342706 /nfs/dbraw/zinc/34/27/06/201342706.db2.gz DRBNHDKWGZUXCE-NSHDSACASA-N 1 0 302.399 3.352 10 0 DGAERO C[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443625307 239219046 /nfs/dbraw/zinc/21/90/46/239219046.db2.gz JUGSTOHMUJBWBY-YRGRVCCFSA-N 1 0 301.352 3.339 10 0 DGAERO CCC(CC)NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000068564483 283717791 /nfs/dbraw/zinc/71/77/91/283717791.db2.gz IQAVBJDBRJFMPK-UHFFFAOYSA-N 1 0 309.429 3.088 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1OC ZINC000246159090 432100298 /nfs/dbraw/zinc/10/02/98/432100298.db2.gz GBHHCOYZJYFPQO-BPUTZDHNSA-N 1 0 303.402 3.001 10 0 DGAERO Cc1ccc(SCCNC(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000444786693 239355260 /nfs/dbraw/zinc/35/52/60/239355260.db2.gz ORCINUOISULABF-UHFFFAOYSA-N 1 0 318.486 3.222 10 0 DGAERO Brc1ccc(C[NH2+][C@H]2CCN(c3ccccc3)C2)o1 ZINC000275616694 212443309 /nfs/dbraw/zinc/44/33/09/212443309.db2.gz NTDZIDZGDAOIMI-LBPRGKRZSA-N 1 0 321.218 3.411 10 0 DGAERO C[NH+](C)CCc1ccccc1NC(=O)N1CCCC12CCC2 ZINC000445168485 239391850 /nfs/dbraw/zinc/39/18/50/239391850.db2.gz SZLVOZFQBUZBFL-UHFFFAOYSA-N 1 0 301.434 3.341 10 0 DGAERO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457780611 291296914 /nfs/dbraw/zinc/29/69/14/291296914.db2.gz WYOYHDZOAWCCSA-SMDDNHRTSA-N 1 0 318.383 3.050 10 0 DGAERO Cc1cc(Cl)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000180783579 432101165 /nfs/dbraw/zinc/10/11/65/432101165.db2.gz HWZAPNFVJZQUSG-UONOGXRCSA-N 1 0 306.837 3.266 10 0 DGAERO CCCCOc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000171080680 432101490 /nfs/dbraw/zinc/10/14/90/432101490.db2.gz FTHFBQGZVSWCHT-OAHLLOKOSA-N 1 0 305.422 3.033 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000246168926 432103030 /nfs/dbraw/zinc/10/30/30/432103030.db2.gz KLKOIOCCRGJOMW-ZBFHGGJFSA-N 1 0 321.440 3.321 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCO[C@H](c3cncn3C)C2)o1 ZINC000275515161 212385970 /nfs/dbraw/zinc/38/59/70/212385970.db2.gz KQSDZTDHUFFIIR-SDCOAXJVSA-N 1 0 315.417 3.146 10 0 DGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N(CCC(F)(F)F)CC1CC1 ZINC000237836247 296068919 /nfs/dbraw/zinc/06/89/19/296068919.db2.gz FMLVQDWATXEQGE-IHRRRGAJSA-N 1 0 318.383 3.098 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000135170113 432104203 /nfs/dbraw/zinc/10/42/03/432104203.db2.gz OYXHQCRCHDFMKI-HOCLYGCPSA-N 1 0 301.459 3.377 10 0 DGAERO Cc1cc(C[C@@H](C)[NH2+]Cc2ccccc2OCC(C)C)[nH]n1 ZINC000449193884 240060242 /nfs/dbraw/zinc/06/02/42/240060242.db2.gz UCBYRSAIAGYDPH-CQSZACIVSA-N 1 0 301.434 3.474 10 0 DGAERO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000449312265 240124610 /nfs/dbraw/zinc/12/46/10/240124610.db2.gz LZRXMOANQHPCLG-CVEARBPZSA-N 1 0 318.461 3.081 10 0 DGAERO Cc1ncc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC000449369219 240161691 /nfs/dbraw/zinc/16/16/91/240161691.db2.gz SABLGQZSUISHLJ-UHFFFAOYSA-N 1 0 323.318 3.463 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCCN1CCO ZINC000449391881 240171955 /nfs/dbraw/zinc/17/19/55/240171955.db2.gz ITLXEEYCCFJZKK-NZHZHZHDSA-N 1 0 322.880 3.180 10 0 DGAERO CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449405820 240181752 /nfs/dbraw/zinc/18/17/52/240181752.db2.gz OKWQIMPUOXUGTM-JKSUJKDBSA-N 1 0 309.475 3.396 10 0 DGAERO Cc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000075407574 283819934 /nfs/dbraw/zinc/81/99/34/283819934.db2.gz DZBHPKFNGRJWGB-CQSZACIVSA-N 1 0 303.431 3.481 10 0 DGAERO O[C@H](CC[NH2+]Cc1cc(Cl)sc1Cl)C(F)(F)F ZINC000449325715 240131261 /nfs/dbraw/zinc/13/12/61/240131261.db2.gz PANXACJDJBCCEK-ZCFIWIBFSA-N 1 0 308.152 3.458 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)n(-c2ccccc2)n1 ZINC000449478716 240232228 /nfs/dbraw/zinc/23/22/28/240232228.db2.gz KTDJZESZAXBIAN-MRXNPFEDSA-N 1 0 311.429 3.311 10 0 DGAERO CC1(C)CCC[C@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449487524 240238339 /nfs/dbraw/zinc/23/83/39/240238339.db2.gz YUZOLGWIOPEYQU-HNNXBMFYSA-N 1 0 309.475 3.396 10 0 DGAERO CC(=O)N(c1nc(C[NH2+]C23CCC(CC2)CC3)cs1)C1CC1 ZINC000449533835 240270347 /nfs/dbraw/zinc/27/03/47/240270347.db2.gz JTYYGESGAYBYTL-UHFFFAOYSA-N 1 0 319.474 3.471 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCOCC34CCCCC4)o2)n[nH]1 ZINC000449624531 240326535 /nfs/dbraw/zinc/32/65/35/240326535.db2.gz OVLYZENPHZSASE-UHFFFAOYSA-N 1 0 301.390 3.205 10 0 DGAERO c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449741382 240394303 /nfs/dbraw/zinc/39/43/03/240394303.db2.gz KJFHSEVXJDNPBT-WDSOQIARSA-N 1 0 301.430 3.380 10 0 DGAERO CC(C)[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 ZINC000091347349 193044881 /nfs/dbraw/zinc/04/48/81/193044881.db2.gz XAUASNXQILRMSZ-HKUYNNGSSA-N 1 0 312.461 3.376 10 0 DGAERO CC(C)CC(C)(C)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091377510 193048502 /nfs/dbraw/zinc/04/85/02/193048502.db2.gz OEQRVBOIZZAQQR-CYBMUJFWSA-N 1 0 312.479 3.057 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000091547580 193071496 /nfs/dbraw/zinc/07/14/96/193071496.db2.gz NUPVNCMXQXLXJA-LSJOCFKGSA-N 1 0 301.217 3.298 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000091547576 193071821 /nfs/dbraw/zinc/07/18/21/193071821.db2.gz NUPVNCMXQXLXJA-GDPRMGEGSA-N 1 0 301.217 3.298 10 0 DGAERO C[N@H+](CCOc1c(Cl)cccc1Cl)CC1CC(O)C1 ZINC000091489142 193062975 /nfs/dbraw/zinc/06/29/75/193062975.db2.gz LQPYYLZTWAVRLD-UHFFFAOYSA-N 1 0 304.217 3.075 10 0 DGAERO C[N@@H+](Cc1coc(-c2ccc(Cl)cc2)n1)CC1CC(O)C1 ZINC000091489319 193063380 /nfs/dbraw/zinc/06/33/80/193063380.db2.gz IDUAAHFHGGJAOC-UHFFFAOYSA-N 1 0 306.793 3.198 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000091667355 193088196 /nfs/dbraw/zinc/08/81/96/193088196.db2.gz KIVBNVUINCXBAB-DOMZBBRYSA-N 1 0 317.260 3.365 10 0 DGAERO C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@H]1CCCO1 ZINC000171145168 432107469 /nfs/dbraw/zinc/10/74/69/432107469.db2.gz UGUXFRSXTPWPDE-LJQANCHMSA-N 1 0 312.413 3.271 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1C ZINC000091855941 193117850 /nfs/dbraw/zinc/11/78/50/193117850.db2.gz YYIXQMGPNHQABI-HOTGVXAUSA-N 1 0 307.459 3.018 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000135234635 432107664 /nfs/dbraw/zinc/10/76/64/432107664.db2.gz AMEIOWLBNMMBJH-GXFFZTMASA-N 1 0 318.642 3.353 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000451179819 241034483 /nfs/dbraw/zinc/03/44/83/241034483.db2.gz FAOGYPBBLKESAQ-VKJFTORMSA-N 1 0 300.446 3.121 10 0 DGAERO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000451179616 241034932 /nfs/dbraw/zinc/03/49/32/241034932.db2.gz FAOGYPBBLKESAQ-IIDMSEBBSA-N 1 0 300.446 3.121 10 0 DGAERO Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)O)ccc1Br ZINC000451368463 241098929 /nfs/dbraw/zinc/09/89/29/241098929.db2.gz LHRDPPNEIGYXBS-NSHDSACASA-N 1 0 300.240 3.349 10 0 DGAERO CCC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C ZINC000451433326 241121699 /nfs/dbraw/zinc/12/16/99/241121699.db2.gz GUVATWLHNVQATP-OAHLLOKOSA-N 1 0 306.406 3.158 10 0 DGAERO CC[N@H+](CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C)C1CC1 ZINC000246225512 432108711 /nfs/dbraw/zinc/10/87/11/432108711.db2.gz FALSATNJWALVON-UKRRQHHQSA-N 1 0 304.409 3.014 10 0 DGAERO CC(C)[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451575090 241180424 /nfs/dbraw/zinc/18/04/24/241180424.db2.gz WVQKSNCIZYBUCI-ZFWWWQNUSA-N 1 0 312.251 3.255 10 0 DGAERO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)c1c(C)[nH]c2ccccc21 ZINC000451731499 241222454 /nfs/dbraw/zinc/22/24/54/241222454.db2.gz RHJBECHXPJGKDM-OAHLLOKOSA-N 1 0 313.445 3.075 10 0 DGAERO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000451967048 241287968 /nfs/dbraw/zinc/28/79/68/241287968.db2.gz GKZRXJDIQLVHOJ-KRWDZBQOSA-N 1 0 304.409 3.139 10 0 DGAERO COCc1ccc(C[N@H+]2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)cc1 ZINC000246232372 432110707 /nfs/dbraw/zinc/11/07/07/432110707.db2.gz ROXIZKIYZMNNMC-BZSNNMDCSA-N 1 0 317.429 3.139 10 0 DGAERO Cc1cc(Br)c(C[NH2+][C@@H]2CCCOCC2)s1 ZINC000453570350 241823016 /nfs/dbraw/zinc/82/30/16/241823016.db2.gz KFBJGNBOENWKMT-SNVBAGLBSA-N 1 0 304.253 3.478 10 0 DGAERO COC1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC1 ZINC000181073038 432112365 /nfs/dbraw/zinc/11/23/65/432112365.db2.gz UOSQQTXULXNXFL-UHFFFAOYSA-N 1 0 303.324 3.286 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000455036609 242092737 /nfs/dbraw/zinc/09/27/37/242092737.db2.gz QVKITSCLKBVUBF-KRWDZBQOSA-N 1 0 307.482 3.250 10 0 DGAERO COc1cc(C)cc(NC(=O)NC(C)(C)C[NH+]2CCCC2)c1C ZINC000455284176 242157059 /nfs/dbraw/zinc/15/70/59/242157059.db2.gz MXWLXFRGSGAUFC-UHFFFAOYSA-N 1 0 319.449 3.308 10 0 DGAERO CCS[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)C(C)C ZINC000171215802 432113055 /nfs/dbraw/zinc/11/30/55/432113055.db2.gz WNXFKRQUXGLCTL-INIZCTEOSA-N 1 0 312.523 3.099 10 0 DGAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2OC)cc1 ZINC000092098682 193158587 /nfs/dbraw/zinc/15/85/87/193158587.db2.gz HPVIQFCUGVOHFM-SFHVURJKSA-N 1 0 324.424 3.073 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000090938813 283997100 /nfs/dbraw/zinc/99/71/00/283997100.db2.gz YPRMMIVHWAAVJD-CVEARBPZSA-N 1 0 321.424 3.444 10 0 DGAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(F)c(Br)c1 ZINC000091424007 284000978 /nfs/dbraw/zinc/00/09/78/284000978.db2.gz ZJWPUKNKNWRJGH-FKTRJACZSA-N 1 0 302.187 3.010 10 0 DGAERO Cc1cc(C)n2c(C[N@H+](C)CCc3ccc(F)cc3)cnc2n1 ZINC000092162005 193168545 /nfs/dbraw/zinc/16/85/45/193168545.db2.gz RAGMZDKNWGDQPI-UHFFFAOYSA-N 1 0 312.392 3.160 10 0 DGAERO Cc1cc(NC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)no1 ZINC000093926205 284015078 /nfs/dbraw/zinc/01/50/78/284015078.db2.gz DJHUSOUQYRGWTI-UHFFFAOYSA-N 1 0 314.389 3.265 10 0 DGAERO CC(C)[N@H+](C)CCNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000102061667 284021506 /nfs/dbraw/zinc/02/15/06/284021506.db2.gz KDQAAOGLVKVAJN-ZDUSSCGKSA-N 1 0 311.857 3.383 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc1F ZINC000102699470 284023714 /nfs/dbraw/zinc/02/37/14/284023714.db2.gz QVOULYZMZKBNTB-STQMWFEESA-N 1 0 322.424 3.322 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2)cc1F ZINC000102698683 284023756 /nfs/dbraw/zinc/02/37/56/284023756.db2.gz VJZQUYPGZNYOHC-ZDUSSCGKSA-N 1 0 316.376 3.432 10 0 DGAERO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1F ZINC000458284761 243019106 /nfs/dbraw/zinc/01/91/06/243019106.db2.gz JLECUTPMQKAZLY-HALDLXJZSA-N 1 0 320.408 3.141 10 0 DGAERO CCC[N@@H+](CC(=O)Nc1ccccc1CC)C[C@@H]1CCCCO1 ZINC000106866991 284050365 /nfs/dbraw/zinc/05/03/65/284050365.db2.gz ZSTWWBZKYHIWHV-KRWDZBQOSA-N 1 0 318.461 3.469 10 0 DGAERO CC/C=C/CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000458961075 243215040 /nfs/dbraw/zinc/21/50/40/243215040.db2.gz CQDMQQWQLZAGRB-ZNNBYXKUSA-N 1 0 307.482 3.250 10 0 DGAERO C[C@H]1CC(C[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000282160984 216789658 /nfs/dbraw/zinc/78/96/58/216789658.db2.gz IMCGTMDUPYNHOX-IRXDYDNUSA-N 1 0 316.489 3.444 10 0 DGAERO CCOc1cc(C[NH2+][C@H](COC)c2ccc(F)cc2)ccc1O ZINC000459428007 243366137 /nfs/dbraw/zinc/36/61/37/243366137.db2.gz VNRSMMKQVMVBRB-MRXNPFEDSA-N 1 0 319.376 3.407 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000112042681 284084186 /nfs/dbraw/zinc/08/41/86/284084186.db2.gz QTOBZODIRYEDKZ-GOSISDBHSA-N 1 0 316.489 3.494 10 0 DGAERO CC[C@H](CCO)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462784098 243687873 /nfs/dbraw/zinc/68/78/73/243687873.db2.gz BKJXLPMTPNYKKT-CQSZACIVSA-N 1 0 307.434 3.140 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)C1CCC1 ZINC000246583897 296128841 /nfs/dbraw/zinc/12/88/41/296128841.db2.gz YVEHLMBWASBWDT-FMKPAKJESA-N 1 0 308.491 3.288 10 0 DGAERO CCC[N@H+](CCc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000113518193 284103014 /nfs/dbraw/zinc/10/30/14/284103014.db2.gz UIHDIOTUEJXJRE-QGZVFWFLSA-N 1 0 311.441 3.256 10 0 DGAERO CC[C@H]1CCC[C@@H](NC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000465988923 243884455 /nfs/dbraw/zinc/88/44/55/243884455.db2.gz ZZQRIJXQMIZHCY-DOTOQJQBSA-N 1 0 309.498 3.376 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H](C)C1 ZINC000113624298 284103676 /nfs/dbraw/zinc/10/36/76/284103676.db2.gz RJSRHWJMDRWEHF-JFIYKMOQSA-N 1 0 321.509 3.329 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1F ZINC000246318903 432118893 /nfs/dbraw/zinc/11/88/93/432118893.db2.gz WURKHKSRDZQVSH-IJEWVQPXSA-N 1 0 319.424 3.073 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(-c2ccccc2)cc1 ZINC000261625401 203082821 /nfs/dbraw/zinc/08/28/21/203082821.db2.gz COKOIDMSEYNCDK-KYNGSXCRSA-N 1 0 324.424 3.037 10 0 DGAERO C[N@H+](CCNC(=O)[C@H]1CCCCC1(C)C)Cc1ccccc1 ZINC000469027888 244080409 /nfs/dbraw/zinc/08/04/09/244080409.db2.gz PMYSWTNVRHTLAM-QGZVFWFLSA-N 1 0 302.462 3.451 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000469233301 244091585 /nfs/dbraw/zinc/09/15/85/244091585.db2.gz UTXVUDZONKQKFI-STQMWFEESA-N 1 0 323.403 3.137 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116432588 284121212 /nfs/dbraw/zinc/12/12/12/284121212.db2.gz KTNYDFSAHWMYLQ-HZPDHXFCSA-N 1 0 319.449 3.391 10 0 DGAERO CC(C)C[C@@H](C)[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000470360300 244167649 /nfs/dbraw/zinc/16/76/49/244167649.db2.gz ZXCIAXGYKVWNNU-QGZVFWFLSA-N 1 0 316.489 3.492 10 0 DGAERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000470939270 244197622 /nfs/dbraw/zinc/19/76/22/244197622.db2.gz DFVHPVFTZHDIMQ-SNPRPXQTSA-N 1 0 301.352 3.253 10 0 DGAERO CCC[N@@H+](Cc1ccccc1OCCOC)C[C@@H]1CCCCO1 ZINC000093132464 193205938 /nfs/dbraw/zinc/20/59/38/193205938.db2.gz ROHBDASHEFVDAA-SFHVURJKSA-N 1 0 321.461 3.493 10 0 DGAERO Cc1ccc(N2CCC[N@H+](Cc3coc4ccccc34)CC2)nn1 ZINC000093151414 193207747 /nfs/dbraw/zinc/20/77/47/193207747.db2.gz KWQBPCPZPZAXOO-UHFFFAOYSA-N 1 0 322.412 3.244 10 0 DGAERO C[C@H](C[NH2+][C@H](c1ccccc1)C1CCCC1)CS(C)(=O)=O ZINC000119092249 284134164 /nfs/dbraw/zinc/13/41/64/284134164.db2.gz XRIWQXJWUQBEAE-RHSMWYFYSA-N 1 0 309.475 3.188 10 0 DGAERO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(Cl)s1 ZINC000246326401 432119952 /nfs/dbraw/zinc/11/99/52/432119952.db2.gz JYXUJLRCHMRSAR-SRVKXCTJSA-N 1 0 312.866 3.200 10 0 DGAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)O2 ZINC000474069354 244366075 /nfs/dbraw/zinc/36/60/75/244366075.db2.gz XGNNSRGBEVJAMY-ZJPYXAASSA-N 1 0 301.430 3.175 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000474265654 244381601 /nfs/dbraw/zinc/38/16/01/244381601.db2.gz LDBYBJRFSCZICW-ROUUACIJSA-N 1 0 302.462 3.417 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](C)C1 ZINC000119875600 284154426 /nfs/dbraw/zinc/15/44/26/284154426.db2.gz UXUDASVLPAFTRX-AKNDPVLGSA-N 1 0 309.498 3.231 10 0 DGAERO CC[C@H]([NH2+]C[C@H]1CCCN1CCOC)c1cc(C)ccc1OC ZINC000093404824 193245175 /nfs/dbraw/zinc/24/51/75/193245175.db2.gz ZLBACMTYPAFJDM-AEFFLSMTSA-N 1 0 320.477 3.155 10 0 DGAERO CSc1ccc(C)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000120242637 284163878 /nfs/dbraw/zinc/16/38/78/284163878.db2.gz IANQZLSGXAHLIR-CQSZACIVSA-N 1 0 308.491 3.423 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C)nc1C ZINC000248549580 284167688 /nfs/dbraw/zinc/16/76/88/284167688.db2.gz HKTGHGNJTPEGBZ-UAGQMJEPSA-N 1 0 302.418 3.005 10 0 DGAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C(N)=O)cs2)C12CCCC2 ZINC000093611145 193274380 /nfs/dbraw/zinc/27/43/80/193274380.db2.gz LZSOUIFKQJYDAX-CABCVRRESA-N 1 0 322.474 3.017 10 0 DGAERO c1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](Oc3cccnc3)C1)CO2 ZINC000093691238 193290747 /nfs/dbraw/zinc/29/07/47/193290747.db2.gz MOIZLMWJRPANLS-GOSISDBHSA-N 1 0 308.381 3.011 10 0 DGAERO COc1cccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000094368191 193366501 /nfs/dbraw/zinc/36/65/01/193366501.db2.gz GJXBNYLFKBFSQP-HNNXBMFYSA-N 1 0 307.459 3.230 10 0 DGAERO CSc1nc(Cl)cc(OCCCC2CC[NH2+]CC2)n1 ZINC000095071799 193416231 /nfs/dbraw/zinc/41/62/31/193416231.db2.gz UQDFMOIVGKEFML-UHFFFAOYSA-N 1 0 301.843 3.011 10 0 DGAERO CCOc1ccc(NC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000121652852 284203024 /nfs/dbraw/zinc/20/30/24/284203024.db2.gz HXPJGVOKLKWKQM-OAHLLOKOSA-N 1 0 307.438 3.183 10 0 DGAERO CC(C)COc1ccc(C(C)(C)[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000121939355 284209432 /nfs/dbraw/zinc/20/94/32/284209432.db2.gz PFALQGBBPDHHEF-AWEZNQCLSA-N 1 0 319.367 3.469 10 0 DGAERO CC([NH2+]C[C@H](O)C(F)(F)F)(c1ccccc1)c1ccccc1 ZINC000121936641 284209332 /nfs/dbraw/zinc/20/93/32/284209332.db2.gz NTXIWQCBVXKJNA-HNNXBMFYSA-N 1 0 309.331 3.463 10 0 DGAERO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181319389 432122139 /nfs/dbraw/zinc/12/21/39/432122139.db2.gz PFVIPCNALNGUJW-HNNXBMFYSA-N 1 0 311.429 3.268 10 0 DGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000487280148 245043190 /nfs/dbraw/zinc/04/31/90/245043190.db2.gz QWLBUUWDTBANOI-WCQYABFASA-N 1 0 312.255 3.241 10 0 DGAERO CC1CCC(C)([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487328647 245052653 /nfs/dbraw/zinc/05/26/53/245052653.db2.gz WHWBUSYGWDERGD-UHFFFAOYSA-N 1 0 300.244 3.241 10 0 DGAERO CC[C@H](C)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000487926193 245122663 /nfs/dbraw/zinc/12/26/63/245122663.db2.gz QCGXNOMVWSGKJA-MAUKXSAKSA-N 1 0 303.450 3.139 10 0 DGAERO CC(C)c1ncc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000123074241 284231704 /nfs/dbraw/zinc/23/17/04/284231704.db2.gz PHZUQXXJVMFNAF-CQSZACIVSA-N 1 0 317.458 3.299 10 0 DGAERO O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC2(C1)CCCC2 ZINC000488571073 245210561 /nfs/dbraw/zinc/21/05/61/245210561.db2.gz FLUBKMXDDQNLIP-CQSZACIVSA-N 1 0 313.363 3.485 10 0 DGAERO CC[C@H](CC1CCCCC1)C(=O)NCCNc1cc[nH+]cc1 ZINC000488569293 245211904 /nfs/dbraw/zinc/21/19/04/245211904.db2.gz BYHRDDVPVSVXSX-MRXNPFEDSA-N 1 0 303.450 3.028 10 0 DGAERO COc1cccc(-c2nc(C[N@@H+]3CC[C@H](CO)[C@@H]3C)cs2)c1 ZINC000488734255 245225899 /nfs/dbraw/zinc/22/58/99/245225899.db2.gz QPQVLRUZOWBKQE-GXTWGEPZSA-N 1 0 318.442 3.021 10 0 DGAERO COc1cccc([C@H](C)[N@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000123924077 284248464 /nfs/dbraw/zinc/24/84/64/284248464.db2.gz BYKZEBKTHQZUPE-INIZCTEOSA-N 1 0 320.477 3.046 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489628050 245331667 /nfs/dbraw/zinc/33/16/67/245331667.db2.gz IMVYLOPGDFVUJK-NYCLONFESA-N 1 0 315.461 3.092 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000489551402 245323739 /nfs/dbraw/zinc/32/37/39/245323739.db2.gz LRWXALLOFMJGKA-NXHRZFHOSA-N 1 0 317.477 3.271 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246355852 432123697 /nfs/dbraw/zinc/12/36/97/432123697.db2.gz IBJUYQYWSUKNBR-IUODEOHRSA-N 1 0 309.841 3.499 10 0 DGAERO Cc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccc(Cl)cc2)cc1 ZINC000008031362 181520582 /nfs/dbraw/zinc/52/05/82/181520582.db2.gz NWJAUYICULDUIP-OAHLLOKOSA-N 1 0 309.818 3.122 10 0 DGAERO O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019438101 284297156 /nfs/dbraw/zinc/29/71/56/284297156.db2.gz OMKQBOQWCBPOHV-SWHYSGLUSA-N 1 0 323.234 3.308 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1cccc(Cl)c1 ZINC000126201916 284297411 /nfs/dbraw/zinc/29/74/11/284297411.db2.gz UADDMOOFSSKSSR-LLVKDONJSA-N 1 0 306.837 3.295 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)cc1F ZINC000126179553 284296952 /nfs/dbraw/zinc/29/69/52/284296952.db2.gz YKYNMTYKQJCJJR-JQWIXIFHSA-N 1 0 315.230 3.333 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000246405827 432126585 /nfs/dbraw/zinc/12/65/85/432126585.db2.gz KGLBGMQTLRMFFB-YOEHRIQHSA-N 1 0 317.433 3.096 10 0 DGAERO C[C@@H]1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H](C)O1 ZINC000127062323 284326120 /nfs/dbraw/zinc/32/61/20/284326120.db2.gz RTJYNQJPUXELGG-CHWSQXEVSA-N 1 0 305.809 3.135 10 0 DGAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCc2ccccc21 ZINC000261770638 284337041 /nfs/dbraw/zinc/33/70/41/284337041.db2.gz RGGKDHXDWBPLOC-INIZCTEOSA-N 1 0 310.372 3.140 10 0 DGAERO O=C(N[C@@H](c1ccccc1)C1CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246409455 432127246 /nfs/dbraw/zinc/12/72/46/432127246.db2.gz KYTKKONJVIVMKZ-ROUUACIJSA-N 1 0 313.445 3.017 10 0 DGAERO CCOCCC1(CNc2cc(N3CCC[C@H](C)C3)ncn2)CC1 ZINC000127774599 284350898 /nfs/dbraw/zinc/35/08/98/284350898.db2.gz OLHICFXTORAEGM-HNNXBMFYSA-N 1 0 318.465 3.332 10 0 DGAERO CC(=O)N1CC[C@@H](CN(C)c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000097371941 193712743 /nfs/dbraw/zinc/71/27/43/193712743.db2.gz DKVUBQCNUWMXKA-INIZCTEOSA-N 1 0 311.429 3.156 10 0 DGAERO CCC[C@H](C(=O)Nc1cc(-c2ccc(C)s2)[nH]n1)[NH+](C)C ZINC000128165437 284365480 /nfs/dbraw/zinc/36/54/80/284365480.db2.gz KTDTWBNSFGYCSO-GFCCVEGCSA-N 1 0 306.435 3.115 10 0 DGAERO CCc1cc(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)oc1CC ZINC000128521444 284378226 /nfs/dbraw/zinc/37/82/26/284378226.db2.gz VDOUCBMEMAGFDW-CQSZACIVSA-N 1 0 306.450 3.208 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CCC(C)CC2)[C@H](C)C1 ZINC000128644033 284382075 /nfs/dbraw/zinc/38/20/75/284382075.db2.gz UXNXSOPDDLUOJU-MYBQVCMBSA-N 1 0 309.498 3.184 10 0 DGAERO C[C@H](CC(=O)N1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000128732970 284385183 /nfs/dbraw/zinc/38/51/83/284385183.db2.gz SBFALADKEPZPCO-GFCCVEGCSA-N 1 0 310.388 3.011 10 0 DGAERO NC(=[NH2+])c1ccccc1COc1ccccc1Br ZINC000019437010 182123203 /nfs/dbraw/zinc/12/32/03/182123203.db2.gz DTQQTBAPMXNZNK-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO NC(=[NH2+])c1ccc(COc2ccc(F)cc2Br)cc1 ZINC000019512820 182126505 /nfs/dbraw/zinc/12/65/05/182126505.db2.gz DAVKVHXUDANVLD-UHFFFAOYSA-N 1 0 323.165 3.451 10 0 DGAERO [NH3+][C@H](c1ccc(Br)cc1)[C@H]1COc2ccccc2O1 ZINC000019511097 182126588 /nfs/dbraw/zinc/12/65/88/182126588.db2.gz XYUMPGPHIKLPMK-HUUCEWRRSA-N 1 0 320.186 3.289 10 0 DGAERO O=C(Nc1ccccc1Br)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019502634 182126678 /nfs/dbraw/zinc/12/66/78/182126678.db2.gz IJYBYHRBIVOKBM-JKOKRWQUSA-N 1 0 323.234 3.308 10 0 DGAERO O=C(Nc1ccccc1Br)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019502640 182126764 /nfs/dbraw/zinc/12/67/64/182126764.db2.gz IJYBYHRBIVOKBM-SCDSUCTJSA-N 1 0 323.234 3.308 10 0 DGAERO CN(CCc1ccncc1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000181468411 432130650 /nfs/dbraw/zinc/13/06/50/432130650.db2.gz YGOGOXZTMREMSJ-UHFFFAOYSA-N 1 0 310.376 3.081 10 0 DGAERO NC(=[NH2+])CCN(c1ccccc1)c1ccc(Br)cn1 ZINC000019519160 182127119 /nfs/dbraw/zinc/12/71/19/182127119.db2.gz IMHYJRUGZJUMLI-UHFFFAOYSA-N 1 0 319.206 3.308 10 0 DGAERO Clc1cccc(COc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC000019688545 182136915 /nfs/dbraw/zinc/13/69/15/182136915.db2.gz YLFIUNRJZUFYOL-UHFFFAOYSA-N 1 0 302.805 3.329 10 0 DGAERO CC[NH+](CC)CCN1CCC(OCc2ccc(F)cc2)CC1 ZINC000181513334 432131522 /nfs/dbraw/zinc/13/15/22/432131522.db2.gz PVPSRFPZBBLLNT-UHFFFAOYSA-N 1 0 308.441 3.149 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(F)(F)CC2)[C@H](C)C1 ZINC000135650723 432132024 /nfs/dbraw/zinc/13/20/24/432132024.db2.gz ZPCZBUFHBZGNKS-TZMCWYRMSA-N 1 0 302.409 3.001 10 0 DGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1c(C)cc(Br)cc1C ZINC000020033025 182182402 /nfs/dbraw/zinc/18/24/02/182182402.db2.gz JTUPEDIIOGOWNF-QPUJVOFHSA-N 1 0 313.239 3.378 10 0 DGAERO CC[NH+](CC)CCNCc1cc(F)ccc1Br ZINC000020050478 182183830 /nfs/dbraw/zinc/18/38/30/182183830.db2.gz HPRYXKVUXAQEJC-UHFFFAOYSA-N 1 0 303.219 3.020 10 0 DGAERO Cc1cccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1F ZINC000129715417 284421001 /nfs/dbraw/zinc/42/10/01/284421001.db2.gz WDDNZRHUPMFKAG-MRXNPFEDSA-N 1 0 314.404 3.037 10 0 DGAERO COc1cccc(CN(C)[C@H](C[NH3+])c2ccccc2Cl)c1 ZINC000020225919 182198674 /nfs/dbraw/zinc/19/86/74/182198674.db2.gz DNAHMUJRBVADHN-QGZVFWFLSA-N 1 0 304.821 3.480 10 0 DGAERO COc1ccccc1CN(C)[C@H](C[NH3+])c1ccccc1Cl ZINC000020225917 182199007 /nfs/dbraw/zinc/19/90/07/182199007.db2.gz JJNNXGGORAXRJV-MRXNPFEDSA-N 1 0 304.821 3.480 10 0 DGAERO O=C(c1ccc(Cl)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529214 296208767 /nfs/dbraw/zinc/20/87/67/296208767.db2.gz VJVIIHCIHURENG-INIZCTEOSA-N 1 0 306.837 3.431 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(F)(F)CC2)[C@H](C)C1 ZINC000135650674 432132482 /nfs/dbraw/zinc/13/24/82/432132482.db2.gz ZPCZBUFHBZGNKS-OCCSQVGLSA-N 1 0 302.409 3.001 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCc2ccco2)C1 ZINC000129939294 284427690 /nfs/dbraw/zinc/42/76/90/284427690.db2.gz QYBPRZKJJAWPES-CQSZACIVSA-N 1 0 308.422 3.059 10 0 DGAERO CC[C@]1(C)C[N@H+](C[C@H](O)COc2ccccc2C(C)C)CCO1 ZINC000135660815 432132950 /nfs/dbraw/zinc/13/29/50/432132950.db2.gz FJYPYZBTPADVLU-QFBILLFUSA-N 1 0 321.461 3.051 10 0 DGAERO CN(C)C(=O)C1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000130547116 284442161 /nfs/dbraw/zinc/44/21/61/284442161.db2.gz IFXCOXGLFRZWRL-INIZCTEOSA-N 1 0 306.837 3.128 10 0 DGAERO C[C@@H](CN1CCCCC1)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493890666 246093189 /nfs/dbraw/zinc/09/31/89/246093189.db2.gz GHCMVLPKNCPWPM-IVMQYODDSA-N 1 0 302.462 3.198 10 0 DGAERO c1nc2ccccc2n1CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493934061 246096772 /nfs/dbraw/zinc/09/67/72/246096772.db2.gz FPWQSKKFWZSWQV-UHFFFAOYSA-N 1 0 321.424 3.374 10 0 DGAERO C[NH+](C)CC1(C(=O)NCc2cc(F)cc(F)c2)CCCCC1 ZINC000494266100 246128928 /nfs/dbraw/zinc/12/89/28/246128928.db2.gz VGILWOZBWFETMZ-UHFFFAOYSA-N 1 0 310.388 3.093 10 0 DGAERO COCC[N@H+](CCSC)Cc1cc(Br)cs1 ZINC000494098030 246112919 /nfs/dbraw/zinc/11/29/19/246112919.db2.gz KJTZTKZNZFQSOT-UHFFFAOYSA-N 1 0 324.309 3.322 10 0 DGAERO OCCCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000494459754 246150614 /nfs/dbraw/zinc/15/06/14/246150614.db2.gz YLUZGWAOTVHXBC-QGZVFWFLSA-N 1 0 304.821 3.381 10 0 DGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000134916509 284455121 /nfs/dbraw/zinc/45/51/21/284455121.db2.gz JVHOYFMVYYBKEM-KGLIPLIRSA-N 1 0 322.497 3.244 10 0 DGAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000022166462 182311738 /nfs/dbraw/zinc/31/17/38/182311738.db2.gz HCGGLIKXOAOUGM-HZMBPMFUSA-N 1 0 315.230 3.462 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246470814 432134736 /nfs/dbraw/zinc/13/47/36/432134736.db2.gz PYWOESFWYWTLRE-VQHPVUNQSA-N 1 0 309.498 3.184 10 0 DGAERO c1coc(-c2ncc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)s2)c1 ZINC000494951642 246214559 /nfs/dbraw/zinc/21/45/59/246214559.db2.gz NUJYBQFVZZYGIU-GXTWGEPZSA-N 1 0 304.415 3.404 10 0 DGAERO CC(C)c1ccc(/C=C\CC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000495389560 246262686 /nfs/dbraw/zinc/26/26/86/246262686.db2.gz NPUARBDAZXGPCU-WAYWQWQTSA-N 1 0 300.446 3.424 10 0 DGAERO Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000496151788 246359919 /nfs/dbraw/zinc/35/99/19/246359919.db2.gz NWYMGRDLNFEKQS-HUUCEWRRSA-N 1 0 322.449 3.366 10 0 DGAERO CC[N@H+](C)[C@@H](C(=O)NCCc1ccsc1)c1ccccc1 ZINC000171477147 432136016 /nfs/dbraw/zinc/13/60/16/432136016.db2.gz SGGVYKGFUWBILU-MRXNPFEDSA-N 1 0 302.443 3.100 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000246490429 432135952 /nfs/dbraw/zinc/13/59/52/432135952.db2.gz RTFXLVRMZWSTOH-JZXOWHBKSA-N 1 0 317.477 3.428 10 0 DGAERO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185149467 296226173 /nfs/dbraw/zinc/22/61/73/296226173.db2.gz XLJHPRWCBDOVAD-SWLSCSKDSA-N 1 0 315.335 3.258 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137132200 284514896 /nfs/dbraw/zinc/51/48/96/284514896.db2.gz MRFPZKXPXPCBSJ-ZWNOBZJWSA-N 1 0 318.642 3.353 10 0 DGAERO CN(C)[C@H](C[NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccco1 ZINC000135812084 432138312 /nfs/dbraw/zinc/13/83/12/432138312.db2.gz VXSNTSVCVJDNGU-QGZVFWFLSA-N 1 0 310.401 3.062 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cnccc2C)C12CCOCC2 ZINC000274406294 211586072 /nfs/dbraw/zinc/58/60/72/211586072.db2.gz FYZWHFNZUVGAPX-BHYGNILZSA-N 1 0 304.434 3.015 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000246512300 432140078 /nfs/dbraw/zinc/14/00/78/432140078.db2.gz SZFZUXHPYPRZBF-CZUORRHYSA-N 1 0 314.433 3.029 10 0 DGAERO CCOc1ccc(Br)cc1C(=O)C1CC[NH2+]CC1 ZINC000037225951 182873107 /nfs/dbraw/zinc/87/31/07/182873107.db2.gz JRQWUMDVVCDNKX-UHFFFAOYSA-N 1 0 312.207 3.030 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCc3occc32)[C@@H](C)C1 ZINC000246564013 432143934 /nfs/dbraw/zinc/14/39/34/432143934.db2.gz YCTYHQCYWDCGPH-IMJJTQAJSA-N 1 0 319.449 3.029 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000151877715 284586542 /nfs/dbraw/zinc/58/65/42/284586542.db2.gz BVXWVLCHZDHOTP-OLZOCXBDSA-N 1 0 312.404 3.305 10 0 DGAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246570345 432145902 /nfs/dbraw/zinc/14/59/02/432145902.db2.gz XXRCCDSFCOWPAD-WCXIOVBPSA-N 1 0 302.466 3.250 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)C2CCCC2)C1 ZINC000246587857 432146903 /nfs/dbraw/zinc/14/69/03/432146903.db2.gz SQHWHDDWWCCYLM-CVEARBPZSA-N 1 0 309.498 3.232 10 0 DGAERO CCN(CC)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246595713 432146714 /nfs/dbraw/zinc/14/67/14/432146714.db2.gz VNNWTHKDQQCBMX-DOTOQJQBSA-N 1 0 303.450 3.091 10 0 DGAERO Cc1ccc2c(c1)[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)[C@@H](C)C2 ZINC000181899657 432148027 /nfs/dbraw/zinc/14/80/27/432148027.db2.gz PDWLIENMTFRCOT-YJBOKZPZSA-N 1 0 317.477 3.210 10 0 DGAERO CCCC(O)(CCC)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000136185715 432148239 /nfs/dbraw/zinc/14/82/39/432148239.db2.gz GBGNBMUCHCADSP-UHFFFAOYSA-N 1 0 301.434 3.498 10 0 DGAERO O=C(CCCc1cccs1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917197 182936556 /nfs/dbraw/zinc/93/65/56/182936556.db2.gz ALPCWGAIZGZURG-GOEBONIOSA-N 1 0 306.475 3.061 10 0 DGAERO Cc1cccc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)c1C ZINC000040173965 183043094 /nfs/dbraw/zinc/04/30/94/183043094.db2.gz QXBGEYOGQVKTTC-MRXNPFEDSA-N 1 0 307.397 3.293 10 0 DGAERO CC[N@@H+](Cc1ccccc1Br)C[C@@H](C)C(N)=S ZINC000042444531 183271297 /nfs/dbraw/zinc/27/12/97/183271297.db2.gz SDAVHKOUTOWBHY-SNVBAGLBSA-N 1 0 315.280 3.193 10 0 DGAERO CCC(CC)[N@H+](CCO)Cc1c(N)cccc1Br ZINC000042483380 183276206 /nfs/dbraw/zinc/27/62/06/183276206.db2.gz ZHQNKWQARJQXOZ-UHFFFAOYSA-N 1 0 315.255 3.014 10 0 DGAERO CN(Cc1csc(Br)c1)c1ccc(C(N)=[NH2+])cc1 ZINC000042362461 183258991 /nfs/dbraw/zinc/25/89/91/183258991.db2.gz DMJVKVWMKWMBPH-UHFFFAOYSA-N 1 0 324.247 3.431 10 0 DGAERO COc1cc(OC)c(C[NH2+]CCc2ccsc2)c(OC)c1 ZINC000042374041 183260847 /nfs/dbraw/zinc/26/08/47/183260847.db2.gz GKUBKAVRXDJTHL-UHFFFAOYSA-N 1 0 307.415 3.106 10 0 DGAERO CC(C)C[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042563441 183285045 /nfs/dbraw/zinc/28/50/45/183285045.db2.gz ROGYDAOSPCYMBE-QWRGUYRKSA-N 1 0 303.244 3.408 10 0 DGAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000042743420 183304808 /nfs/dbraw/zinc/30/48/08/183304808.db2.gz HQRFWLPFFUVBCO-MFKMUULPSA-N 1 0 305.249 3.350 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)n1ccnc1C ZINC000042955867 183321224 /nfs/dbraw/zinc/32/12/24/183321224.db2.gz FNYHZNGZSWLBII-KGLIPLIRSA-N 1 0 308.223 3.281 10 0 DGAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1ccnc1C ZINC000042955858 183321904 /nfs/dbraw/zinc/32/19/04/183321904.db2.gz FNYHZNGZSWLBII-UONOGXRCSA-N 1 0 308.223 3.281 10 0 DGAERO Cc1cc(C)n([C@H](c2ccc(Br)cc2)[C@H](C)[NH3+])n1 ZINC000042955885 183322741 /nfs/dbraw/zinc/32/27/41/183322741.db2.gz AJMUYDCHTRNBPZ-FZMZJTMJSA-N 1 0 308.223 3.199 10 0 DGAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1cc(Cl)cn1 ZINC000042956044 183322799 /nfs/dbraw/zinc/32/27/99/183322799.db2.gz MOMVHEHLJHCGDM-UFBFGSQYSA-N 1 0 314.614 3.236 10 0 DGAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1cc(C)cn1 ZINC000042956029 183322961 /nfs/dbraw/zinc/32/29/61/183322961.db2.gz GTQUKZBYBGOHEY-ZIAGYGMSSA-N 1 0 308.223 3.281 10 0 DGAERO [NH3+]C[C@H](OCCc1ccccn1)c1ccc(Br)cc1 ZINC000042958051 183323780 /nfs/dbraw/zinc/32/37/80/183323780.db2.gz MFUXSGREWQMAAL-HNNXBMFYSA-N 1 0 321.218 3.103 10 0 DGAERO CC(C)N(CCC(N)=[NH2+])Cc1sccc1Br ZINC000043675707 183379155 /nfs/dbraw/zinc/37/91/55/183379155.db2.gz XRDDVELEQPXFFY-UHFFFAOYSA-N 1 0 304.257 3.047 10 0 DGAERO Cc1c(NCC(C)(C)C)cccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000153589274 284679640 /nfs/dbraw/zinc/67/96/40/284679640.db2.gz SRXFWHDYBLCCGL-OAHLLOKOSA-N 1 0 317.477 3.229 10 0 DGAERO COc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000153882786 284698459 /nfs/dbraw/zinc/69/84/59/284698459.db2.gz WYVIDAOEYWJHPV-OAHLLOKOSA-N 1 0 318.461 3.068 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCCCn2ccnc2C)ccc1F ZINC000153973510 284704357 /nfs/dbraw/zinc/70/43/57/284704357.db2.gz HFKHEKLOPKKNKD-CYBMUJFWSA-N 1 0 305.397 3.470 10 0 DGAERO CN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176636776 284727487 /nfs/dbraw/zinc/72/74/87/284727487.db2.gz ZJUBULJQMPGUBY-CVEARBPZSA-N 1 0 323.868 3.354 10 0 DGAERO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000104711028 194029323 /nfs/dbraw/zinc/02/93/23/194029323.db2.gz MJFDBPCDJSTRCX-OAHLLOKOSA-N 1 0 318.461 3.007 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105007295 194064078 /nfs/dbraw/zinc/06/40/78/194064078.db2.gz WDIJINPRZCYDRO-OAHLLOKOSA-N 1 0 317.433 3.096 10 0 DGAERO CC[N@H+](CCNC(=O)N(Cc1ccco1)C1CCCC1)C1CC1 ZINC000105224909 194086628 /nfs/dbraw/zinc/08/66/28/194086628.db2.gz NSMCYLPVPBICLK-UHFFFAOYSA-N 1 0 319.449 3.218 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000105862403 194150098 /nfs/dbraw/zinc/15/00/98/194150098.db2.gz UXLXCBLJXXBGNQ-SNVBAGLBSA-N 1 0 302.340 3.271 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000105862400 194150688 /nfs/dbraw/zinc/15/06/88/194150688.db2.gz UXLXCBLJXXBGNQ-JTQLQIEISA-N 1 0 302.340 3.271 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000121526334 284758841 /nfs/dbraw/zinc/75/88/41/284758841.db2.gz SGLLLFIJUPXLLJ-UONOGXRCSA-N 1 0 307.438 3.245 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(Cl)c1)CC2 ZINC000105873597 194152720 /nfs/dbraw/zinc/15/27/20/194152720.db2.gz AJQQLTVDVSOEOO-BXUZGUMPSA-N 1 0 304.825 3.160 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)CC2 ZINC000105874339 194153225 /nfs/dbraw/zinc/15/32/25/194153225.db2.gz WHTSNQVSDLOGST-AAEUAGOBSA-N 1 0 320.387 3.345 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1)CC2 ZINC000105873574 194153523 /nfs/dbraw/zinc/15/35/23/194153523.db2.gz WPMBMFAOJASNAO-BXUZGUMPSA-N 1 0 304.825 3.160 10 0 DGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCCCn1cccn1 ZINC000105896198 194163291 /nfs/dbraw/zinc/16/32/91/194163291.db2.gz HCOWSKMSNLDRFQ-QGZVFWFLSA-N 1 0 315.465 3.241 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000105928625 194171991 /nfs/dbraw/zinc/17/19/91/194171991.db2.gz UGARMNGAYKNWSE-ZDUSSCGKSA-N 1 0 302.397 3.378 10 0 DGAERO C[N@H+]([C@@H]1CCCN(c2cccnn2)C1)[C@@H]1CCCc2ccccc21 ZINC000106076195 194184004 /nfs/dbraw/zinc/18/40/04/194184004.db2.gz NSWOPZYVZFGTQF-IEBWSBKVSA-N 1 0 322.456 3.455 10 0 DGAERO C[C@@H](O)CN1CC[N@@H+](C2c3ccccc3-c3ccccc32)C[C@H]1C ZINC000106100658 194186248 /nfs/dbraw/zinc/18/62/48/194186248.db2.gz SNAMQDCXMDAUQG-HZPDHXFCSA-N 1 0 322.452 3.143 10 0 DGAERO Cc1nc(CN2CCC[N@H+](Cc3cccc(C)c3)CC2)cs1 ZINC000106146121 194187896 /nfs/dbraw/zinc/18/78/96/194187896.db2.gz ZFRLAHSIMFUIBJ-UHFFFAOYSA-N 1 0 315.486 3.468 10 0 DGAERO c1ncn(C[C@H]2CCC[N@H+](Cc3csc4ccccc34)C2)n1 ZINC000106176796 194190242 /nfs/dbraw/zinc/19/02/42/194190242.db2.gz JIQYZZIQXCTMIE-AWEZNQCLSA-N 1 0 312.442 3.405 10 0 DGAERO c1ccc(N2CC[NH+](CCCSC3CCOCC3)CC2)cc1 ZINC000285094849 218288205 /nfs/dbraw/zinc/28/82/05/218288205.db2.gz IIUGRCIYGNWNRW-UHFFFAOYSA-N 1 0 320.502 3.111 10 0 DGAERO CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC(C)(C)O1)c1ccccc1 ZINC000189607543 284788497 /nfs/dbraw/zinc/78/84/97/284788497.db2.gz YEDOWBLJQHQTEY-SJORKVTESA-N 1 0 318.461 3.143 10 0 DGAERO CCCCOCCOc1c(Br)cccc1CC[NH3+] ZINC000049264482 183722646 /nfs/dbraw/zinc/72/26/46/183722646.db2.gz QTOBPRQOQJSIDC-UHFFFAOYSA-N 1 0 316.239 3.146 10 0 DGAERO COc1ccc(C[C@H]([NH3+])c2ccncc2)cc1Br ZINC000049599020 183746546 /nfs/dbraw/zinc/74/65/46/183746546.db2.gz DKULYOJQZDZFSX-ZDUSSCGKSA-N 1 0 307.191 3.095 10 0 DGAERO C[NH2+]C[C@H](OCC(F)(F)F)c1ccc(Br)cc1 ZINC000050502097 183787748 /nfs/dbraw/zinc/78/77/48/183787748.db2.gz VKMLLJSAHDSLCW-JTQLQIEISA-N 1 0 312.129 3.289 10 0 DGAERO CCC[NH2+][C@H](Cc1cnn(C)c1)c1cccc(Br)c1 ZINC000050542698 183788730 /nfs/dbraw/zinc/78/87/30/183788730.db2.gz WCKNDYSKCNWMLV-OAHLLOKOSA-N 1 0 322.250 3.466 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1cc(OC)ccc1OC ZINC000159353866 197347922 /nfs/dbraw/zinc/34/79/22/197347922.db2.gz GQCCQTODUCTJRN-UHFFFAOYSA-N 1 0 306.431 3.225 10 0 DGAERO CCC[NH2+][C@H](CCc1sccc1Br)COC ZINC000051696199 183834372 /nfs/dbraw/zinc/83/43/72/183834372.db2.gz RYNOKXDMFJKYAY-SNVBAGLBSA-N 1 0 306.269 3.458 10 0 DGAERO Cc1cc(COc2ccc(Br)cc2[C@H](C)[NH3+])no1 ZINC000052066597 183849593 /nfs/dbraw/zinc/84/95/93/183849593.db2.gz CTQPJMXJMZNKSN-VIFPVBQESA-N 1 0 311.179 3.344 10 0 DGAERO CCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000052554716 183863870 /nfs/dbraw/zinc/86/38/70/183863870.db2.gz UQEGZHLCFHSVRY-SFHVURJKSA-N 1 0 312.413 3.118 10 0 DGAERO CC[C@H](C[NH2+]C1CC1)Oc1ccc(F)cc1Br ZINC000052651608 183867610 /nfs/dbraw/zinc/86/76/10/183867610.db2.gz IZQYGVATOWMVBZ-LLVKDONJSA-N 1 0 302.187 3.498 10 0 DGAERO C[C@@H]([NH2+]CCn1cncn1)c1ccc(OCc2ccccc2)cc1 ZINC000268857932 207026747 /nfs/dbraw/zinc/02/67/47/207026747.db2.gz UZMMEYXJPHXSFE-MRXNPFEDSA-N 1 0 322.412 3.208 10 0 DGAERO CC[C@@H](Sc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000110816403 194360920 /nfs/dbraw/zinc/36/09/20/194360920.db2.gz FAGPCVLVYRILIT-MRXNPFEDSA-N 1 0 306.475 3.110 10 0 DGAERO CC[C@]1(c2ccc(Br)cc2)C[C@@H]1C[NH2+]CCOC ZINC000054599025 183945676 /nfs/dbraw/zinc/94/56/76/183945676.db2.gz HERCRDOVJNUIGH-UKRRQHHQSA-N 1 0 312.251 3.353 10 0 DGAERO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccnc2)cc1C ZINC000111206934 194403053 /nfs/dbraw/zinc/40/30/53/194403053.db2.gz MJVXSJZCRYEKSE-LJQANCHMSA-N 1 0 323.440 3.152 10 0 DGAERO CSCCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000061308441 184168041 /nfs/dbraw/zinc/16/80/41/184168041.db2.gz MWKBZYAODUABNT-UHFFFAOYSA-N 1 0 324.515 3.235 10 0 DGAERO CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)c(Br)c1 ZINC000061698295 184183947 /nfs/dbraw/zinc/18/39/47/184183947.db2.gz SQNJEYTWTCMPNA-JTQLQIEISA-N 1 0 309.211 3.090 10 0 DGAERO CC1(C)CCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000061819146 184188447 /nfs/dbraw/zinc/18/84/47/184188447.db2.gz DOXAGNPSUYWYGU-JTQLQIEISA-N 1 0 301.228 3.164 10 0 DGAERO CN(Cc1sccc1Br)c1cccc(C(N)=[NH2+])c1 ZINC000061951387 184198456 /nfs/dbraw/zinc/19/84/56/184198456.db2.gz VRCHGAJNNXRILD-UHFFFAOYSA-N 1 0 324.247 3.431 10 0 DGAERO C[C@H](CNc1ccc(Br)cc1N)C[NH+]1CCCC1 ZINC000062069879 184204562 /nfs/dbraw/zinc/20/45/62/184204562.db2.gz UTIWUXCCUWRLHC-LLVKDONJSA-N 1 0 312.255 3.175 10 0 DGAERO [NH3+][C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000062838105 184255683 /nfs/dbraw/zinc/25/56/83/184255683.db2.gz PZYJCMWSGVOVCK-CQSZACIVSA-N 1 0 309.196 3.423 10 0 DGAERO CN(Cc1cccc(Br)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862382 184256949 /nfs/dbraw/zinc/25/69/49/184256949.db2.gz GRPKBUIVTOKQHP-OAHLLOKOSA-N 1 0 311.267 3.271 10 0 DGAERO CCC[C@@]1(C(=O)Nc2ccccc2Br)CC[NH2+]C1 ZINC000062889187 184258409 /nfs/dbraw/zinc/25/84/09/184258409.db2.gz QDSIOSBBPMNUDG-CQSZACIVSA-N 1 0 311.223 3.167 10 0 DGAERO Brc1cc(C[NH2+]C2CC2)ccc1OCc1ccno1 ZINC000062702262 184248189 /nfs/dbraw/zinc/24/81/89/184248189.db2.gz FYHAHYWKXISCSL-UHFFFAOYSA-N 1 0 323.190 3.268 10 0 DGAERO Brc1cccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000063084598 184269672 /nfs/dbraw/zinc/26/96/72/184269672.db2.gz OMXSSGPBRYEBPQ-JTQLQIEISA-N 1 0 322.206 3.041 10 0 DGAERO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2ccsc2)nc1 ZINC000065173700 184313913 /nfs/dbraw/zinc/31/39/13/184313913.db2.gz ZATBITCPCCHJHX-UHFFFAOYSA-N 1 0 315.442 3.026 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1Cc1nnn(-c2ccc(F)cc2)c1C ZINC000065239671 184317249 /nfs/dbraw/zinc/31/72/49/184317249.db2.gz FHTBYSRFIHKKQF-OAHLLOKOSA-N 1 0 302.397 3.479 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000117786579 194847561 /nfs/dbraw/zinc/84/75/61/194847561.db2.gz DDBJQEJQJLZAJO-INIZCTEOSA-N 1 0 316.445 3.174 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl)C(F)(F)F ZINC000248543504 285004390 /nfs/dbraw/zinc/00/43/90/285004390.db2.gz CLYLENKDXHZION-DGCLKSJQSA-N 1 0 307.743 3.270 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000248585303 285008034 /nfs/dbraw/zinc/00/80/34/285008034.db2.gz PWKXRAZFSUPTCS-KFAOIVLFSA-N 1 0 307.482 3.126 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1OCC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000248616230 285010848 /nfs/dbraw/zinc/01/08/48/285010848.db2.gz AJUHJABUVSIMSK-TVFCKZIOSA-N 1 0 324.509 3.161 10 0 DGAERO CCOc1c(F)cccc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000173673140 252661820 /nfs/dbraw/zinc/66/18/20/252661820.db2.gz WABYFXYPYMUOHJ-AWEZNQCLSA-N 1 0 322.424 3.076 10 0 DGAERO Cc1c[nH+]ccc1NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248657220 285015067 /nfs/dbraw/zinc/01/50/67/285015067.db2.gz FGBORRVSGOQFSX-HOCLYGCPSA-N 1 0 317.458 3.325 10 0 DGAERO C[C@H]1C[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC000248666138 285016223 /nfs/dbraw/zinc/01/62/23/285016223.db2.gz NGGHBFWHZXDVHV-XJKSGUPXSA-N 1 0 314.495 3.071 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000248644326 285013326 /nfs/dbraw/zinc/01/33/26/285013326.db2.gz FCXRJDBHUVWRKV-CGTJXYLNSA-N 1 0 323.502 3.343 10 0 DGAERO Cc1c([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)cnn1C(C)(C)C ZINC000248678831 285017331 /nfs/dbraw/zinc/01/73/31/285017331.db2.gz BMZWJCUHQQWHPH-HUUCEWRRSA-N 1 0 306.498 3.472 10 0 DGAERO CSc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175984725 252698599 /nfs/dbraw/zinc/69/85/99/252698599.db2.gz RDALAHAUZNFBEK-GJZGRUSLSA-N 1 0 321.490 3.081 10 0 DGAERO CN1CC[C@@H](C[NH2+]Cc2cocn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248680386 285017434 /nfs/dbraw/zinc/01/74/34/285017434.db2.gz VYFBGRQOXZOKAX-BLLLJJGKSA-N 1 0 323.799 3.250 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261825002 207676407 /nfs/dbraw/zinc/67/64/07/207676407.db2.gz YJXGPOYJJCSQSL-VQTJNVASSA-N 1 0 322.452 3.129 10 0 DGAERO C[C@H]1CC(CC[NH+]2CCC(NC(=O)C3CC3)CC2)C[C@H](C)C1 ZINC000176975818 252711520 /nfs/dbraw/zinc/71/15/20/252711520.db2.gz XTMGQOTVVSDGFM-HUUCEWRRSA-N 1 0 306.494 3.439 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CN1Cc1ccccc1 ZINC000161931168 197529837 /nfs/dbraw/zinc/52/98/37/197529837.db2.gz UGEYGFRFCYVKIW-WRNCNIFXSA-N 1 0 314.473 3.053 10 0 DGAERO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)C1CCCC1 ZINC000184632984 252748746 /nfs/dbraw/zinc/74/87/46/252748746.db2.gz CAUUSHQWBLTCBS-IFXJQAMLSA-N 1 0 300.446 3.422 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 ZINC000261554864 252768366 /nfs/dbraw/zinc/76/83/66/252768366.db2.gz PGHCKECMBKYQMD-QAPCUYQASA-N 1 0 324.424 3.075 10 0 DGAERO CCOc1ccc(C(C)=O)cc1CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248855291 285032526 /nfs/dbraw/zinc/03/25/26/285032526.db2.gz VWYWOUFKPSCIAT-FVCICTRLSA-N 1 0 305.418 3.022 10 0 DGAERO CC[C@]1(C)C[N@H+](C[C@@H](O)COc2ccccc2C(C)C)CCO1 ZINC000248888897 285036707 /nfs/dbraw/zinc/03/67/07/285036707.db2.gz FJYPYZBTPADVLU-VQIMIIECSA-N 1 0 321.461 3.051 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000119859618 195051135 /nfs/dbraw/zinc/05/11/35/195051135.db2.gz IDMPTKAPYYOEGN-OAHLLOKOSA-N 1 0 306.475 3.187 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc3ccn(C)c32)C1 ZINC000249079758 285052815 /nfs/dbraw/zinc/05/28/15/285052815.db2.gz SJUZOFNFSHQTRM-CZUORRHYSA-N 1 0 314.433 3.029 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@@H]3C(C)=CCC[C@@H]3C)CCO2)n1 ZINC000249104250 285056127 /nfs/dbraw/zinc/05/61/27/285056127.db2.gz QDLJSRPEXJIJEV-ZYSHUDEJSA-N 1 0 317.477 3.193 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H](C)CC2)[C@@H](C)C1 ZINC000249105750 285056238 /nfs/dbraw/zinc/05/62/38/285056238.db2.gz QNBSNSMJRCLNQN-NXOAAHMSSA-N 1 0 309.498 3.327 10 0 DGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000249110858 285056915 /nfs/dbraw/zinc/05/69/15/285056915.db2.gz MTJFABKGGSJHDA-MHORFTMASA-N 1 0 300.446 3.032 10 0 DGAERO CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000120048754 195087635 /nfs/dbraw/zinc/08/76/35/195087635.db2.gz UFHUXFUBHYQSEG-OAHLLOKOSA-N 1 0 314.433 3.313 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249127432 285057939 /nfs/dbraw/zinc/05/79/39/285057939.db2.gz VEAYIKQHJBNRKH-OKZBNKHCSA-N 1 0 314.477 3.370 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccncc2OC)C[C@H]1C ZINC000249198258 285062948 /nfs/dbraw/zinc/06/29/48/285062948.db2.gz RUQVZTVDPKCISV-CBBWQLFWSA-N 1 0 320.433 3.109 10 0 DGAERO CC(C)c1ncsc1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333353949 252950354 /nfs/dbraw/zinc/95/03/54/252950354.db2.gz RTWOXKFILNEDKY-CYBMUJFWSA-N 1 0 322.478 3.262 10 0 DGAERO O=C(NCC[NH2+]C1CCCCCC1)N1CCCc2occc2C1 ZINC000333629464 252964080 /nfs/dbraw/zinc/96/40/80/252964080.db2.gz GJGQRRMQWBHVAB-UHFFFAOYSA-N 1 0 319.449 3.050 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000249435116 285073699 /nfs/dbraw/zinc/07/36/99/285073699.db2.gz KOOBJISICRWTSS-KBAYOESNSA-N 1 0 323.502 3.153 10 0 DGAERO CCOCCN1CC[N@H+](C[C@H](C)Cc2ccccc2)C[C@H]1CC ZINC000249458047 285074791 /nfs/dbraw/zinc/07/47/91/285074791.db2.gz PYPVJMJVPDOYQC-UYAOXDASSA-N 1 0 318.505 3.298 10 0 DGAERO COCC1(C[NH2+]Cc2ccc(F)cc2Br)CCC1 ZINC000336795560 253002189 /nfs/dbraw/zinc/00/21/89/253002189.db2.gz LLIDBSMVEPMBOB-UHFFFAOYSA-N 1 0 316.214 3.495 10 0 DGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000249486937 285075965 /nfs/dbraw/zinc/07/59/65/285075965.db2.gz YKZKFURPIQOYPF-ICSRJNTNSA-N 1 0 316.489 3.052 10 0 DGAERO CCn1c2cccc(F)c2nc1C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249533428 285079884 /nfs/dbraw/zinc/07/98/84/285079884.db2.gz BRBNUBLXMAUAOF-ACJLOTCBSA-N 1 0 319.424 3.178 10 0 DGAERO CCc1nc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cs1 ZINC000336904267 253020790 /nfs/dbraw/zinc/02/07/90/253020790.db2.gz VRVFRGFTVVOICV-LBPRGKRZSA-N 1 0 312.504 3.240 10 0 DGAERO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249605653 285082868 /nfs/dbraw/zinc/08/28/68/285082868.db2.gz ZOYLABRGIOSAON-PXAZEXFGSA-N 1 0 324.852 3.070 10 0 DGAERO CN(C)CC1([NH2+]Cc2ccc(Br)c(F)c2)CCC1 ZINC000337261564 253073491 /nfs/dbraw/zinc/07/34/91/253073491.db2.gz QKYZMZYMQGYWJB-UHFFFAOYSA-N 1 0 315.230 3.162 10 0 DGAERO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCCn1ccnn1 ZINC000337235025 253066525 /nfs/dbraw/zinc/06/65/25/253066525.db2.gz BMHIPQKIHYUREY-QBFSEMIESA-N 1 0 324.350 3.380 10 0 DGAERO c1cnc(OC2CC[NH+](CCSC3CCCCC3)CC2)cn1 ZINC000337459255 253120294 /nfs/dbraw/zinc/12/02/94/253120294.db2.gz JKXBYMGKDDNHDF-UHFFFAOYSA-N 1 0 321.490 3.386 10 0 DGAERO c1cc(CN2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337993539 253206251 /nfs/dbraw/zinc/20/62/51/253206251.db2.gz JHROZSTXAHXZIA-VQTJNVASSA-N 1 0 314.473 3.187 10 0 DGAERO CC(=O)N1CCC([NH2+]C/C(C)=C/c2ccc(Cl)cc2)CC1 ZINC000338138631 253229483 /nfs/dbraw/zinc/22/94/83/253229483.db2.gz DWLSULQLISIIME-ACCUITESSA-N 1 0 306.837 3.344 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000273001590 210380223 /nfs/dbraw/zinc/38/02/23/210380223.db2.gz OQOPJAWPMSIRMC-WYMLVPIESA-N 1 0 304.409 3.077 10 0 DGAERO CN(CCC1CC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000120217555 195120348 /nfs/dbraw/zinc/12/03/48/195120348.db2.gz QRSONOXSFHYJRT-UHFFFAOYSA-N 1 0 315.461 3.224 10 0 DGAERO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000120219101 195122029 /nfs/dbraw/zinc/12/20/29/195122029.db2.gz FSEQITYOAUDBNR-GOSISDBHSA-N 1 0 310.445 3.194 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000294630911 224131211 /nfs/dbraw/zinc/13/12/11/224131211.db2.gz JQZKMOVCWJKKGS-MRXNPFEDSA-N 1 0 321.424 3.358 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000255124520 285132138 /nfs/dbraw/zinc/13/21/38/285132138.db2.gz JIUARHPVBYCQQU-BGYNLAARSA-N 1 0 300.446 3.243 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)cc1NC(C)=O ZINC000158543910 197281496 /nfs/dbraw/zinc/28/14/96/197281496.db2.gz MIHNXQKIHNHJSE-OLZOCXBDSA-N 1 0 313.401 3.460 10 0 DGAERO C[C@H]1CCCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000255339756 285148003 /nfs/dbraw/zinc/14/80/03/285148003.db2.gz ZGRJFPDKBQMITB-BFZKSOEOSA-N 1 0 307.482 3.127 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000255491827 285158070 /nfs/dbraw/zinc/15/80/70/285158070.db2.gz UOJZVOXVPRKGQH-HKBKRHGFSA-N 1 0 310.445 3.409 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000255522889 285161395 /nfs/dbraw/zinc/16/13/95/285161395.db2.gz DVKQSICQTWEEDQ-BGYNLAARSA-N 1 0 300.446 3.197 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C/C=C\c2cccc(F)c2)C1 ZINC000255580578 285166049 /nfs/dbraw/zinc/16/60/49/285166049.db2.gz RPGHNZGOJRKOHX-CDITXYPMSA-N 1 0 316.420 3.172 10 0 DGAERO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)o1 ZINC000120307524 195140289 /nfs/dbraw/zinc/14/02/89/195140289.db2.gz FLXJOCJPILDFEK-BBRMVZONSA-N 1 0 312.417 3.270 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(C)c(-c2ncco2)c1)[NH+](C)C ZINC000157696493 197209007 /nfs/dbraw/zinc/20/90/07/197209007.db2.gz VONQJYJDICVMDT-HNNXBMFYSA-N 1 0 301.390 3.319 10 0 DGAERO Fc1ccc(/C=C/C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000120313854 195141391 /nfs/dbraw/zinc/14/13/91/195141391.db2.gz AOQDGLXCRRLRFQ-NSCUHMNNSA-N 1 0 312.392 3.205 10 0 DGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000255671779 285173025 /nfs/dbraw/zinc/17/30/25/285173025.db2.gz QOHOIJJDCLLRKF-MCIOBPLBSA-N 1 0 318.436 3.466 10 0 DGAERO COc1ccccc1/C=C\C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000255756773 285178293 /nfs/dbraw/zinc/17/82/93/285178293.db2.gz UIPFFRVXBZVESB-LUAWRHEFSA-N 1 0 318.461 3.239 10 0 DGAERO CC[NH+](CC)C[C@H]1CCN(C/C=C\c2ccccc2OC)C1 ZINC000255771092 285179325 /nfs/dbraw/zinc/17/93/25/285179325.db2.gz LHQLRGGKNVLCDL-SECOEOQKSA-N 1 0 302.462 3.372 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000255728945 285177144 /nfs/dbraw/zinc/17/71/44/285177144.db2.gz FRYBZABYTCZVKE-XYDITTIYSA-N 1 0 300.446 3.387 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(OC(C)(C)C)cc1 ZINC000157247359 197173219 /nfs/dbraw/zinc/17/32/19/197173219.db2.gz CLWVLVLESKOOPB-HIFRSBDPSA-N 1 0 314.433 3.121 10 0 DGAERO c1ccc(COc2ccccc2C[NH2+]CC[C@@H]2CCOC2)nc1 ZINC000344278448 254249433 /nfs/dbraw/zinc/24/94/33/254249433.db2.gz UMBXILMRWXHDIF-MRXNPFEDSA-N 1 0 312.413 3.177 10 0 DGAERO c1ccc(COc2ccccc2C[NH2+]CC[C@H]2CCOC2)nc1 ZINC000344278447 254249601 /nfs/dbraw/zinc/24/96/01/254249601.db2.gz UMBXILMRWXHDIF-INIZCTEOSA-N 1 0 312.413 3.177 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\SCc1ccco1 ZINC000255909981 285187180 /nfs/dbraw/zinc/18/71/80/285187180.db2.gz YPBCBVVLPLUHHM-FZXWVIKQSA-N 1 0 320.458 3.112 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000344773626 254304472 /nfs/dbraw/zinc/30/44/72/254304472.db2.gz LMMDVIVYTPEESM-CQSZACIVSA-N 1 0 315.442 3.396 10 0 DGAERO COc1ccc([C@H](C)CC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000175519638 533151706 /nfs/dbraw/zinc/15/17/06/533151706.db2.gz WICKLGQKODEZDV-HZPDHXFCSA-N 1 0 318.461 3.179 10 0 DGAERO CS[C@@H](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000156145618 197089248 /nfs/dbraw/zinc/08/92/48/197089248.db2.gz KCYAWJXTSVOCBJ-AWEZNQCLSA-N 1 0 306.475 3.040 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000155440294 197055164 /nfs/dbraw/zinc/05/51/64/197055164.db2.gz RBSACRKNWBRDER-JKSUJKDBSA-N 1 0 319.449 3.309 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC000155068030 197018964 /nfs/dbraw/zinc/01/89/64/197018964.db2.gz NGVCYTBFPHSYQF-CXAGYDPISA-N 1 0 324.415 3.086 10 0 DGAERO COc1c(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c(C)nn1C ZINC000155155651 197027222 /nfs/dbraw/zinc/02/72/22/197027222.db2.gz CSQDYCYMQZGZKN-QGZVFWFLSA-N 1 0 315.417 3.083 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)ccc2C)[C@H](C)C1 ZINC000120365731 195152230 /nfs/dbraw/zinc/15/22/30/195152230.db2.gz UEVJDMOOUJLPBU-WBVHZDCISA-N 1 0 303.450 3.497 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(F)cccc2F)[C@H](C)C1 ZINC000120388806 195156795 /nfs/dbraw/zinc/15/67/95/195156795.db2.gz UWNGYDRIWWGUNF-RISCZKNCSA-N 1 0 311.376 3.159 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC000120392245 195156826 /nfs/dbraw/zinc/15/68/26/195156826.db2.gz ILZVITAHBIGCHL-CZUORRHYSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCn1ccnc1 ZINC000120495134 195177201 /nfs/dbraw/zinc/17/72/01/195177201.db2.gz JOEVEEMGVCRCPZ-CQSZACIVSA-N 1 0 323.387 3.486 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC2=CCCOC2)c1 ZINC000120634944 195206010 /nfs/dbraw/zinc/20/60/10/195206010.db2.gz FIJWHUZBXNYLDJ-KRWDZBQOSA-N 1 0 303.402 3.187 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2OC)[C@H](C)C1 ZINC000120585855 195196886 /nfs/dbraw/zinc/19/68/86/195196886.db2.gz NGFAEKYRIYVJGY-ZBFHGGJFSA-N 1 0 319.449 3.198 10 0 DGAERO c1ccc(CN2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)nc1 ZINC000120686922 195217366 /nfs/dbraw/zinc/21/73/66/195217366.db2.gz ZRKCQXSWMRWCOQ-HXUWFJFHSA-N 1 0 321.468 3.193 10 0 DGAERO Cc1noc(C2CC[NH+](Cc3ccccc3OC3CC3)CC2)n1 ZINC000289499322 221019875 /nfs/dbraw/zinc/01/98/75/221019875.db2.gz DGOPOUAQNHSCMC-UHFFFAOYSA-N 1 0 313.401 3.299 10 0 DGAERO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)s1 ZINC000248069203 257109828 /nfs/dbraw/zinc/10/98/28/257109828.db2.gz FWYOTNZFOQNVDZ-MSOLQXFVSA-N 1 0 313.470 3.300 10 0 DGAERO Cc1nc(CO[C@@H]2CC[NH2+]C[C@H]2Cc2ccccc2)cs1 ZINC000248068209 257110109 /nfs/dbraw/zinc/11/01/09/257110109.db2.gz XOVCUXZRXALWRH-NVXWUHKLSA-N 1 0 302.443 3.189 10 0 DGAERO CO[C@H]1CC[N@H+](Cc2cccc(C)n2)C[C@H]1Cc1ccccc1 ZINC000247880923 257116023 /nfs/dbraw/zinc/11/60/23/257116023.db2.gz QYEQQIZEIILARP-QUCCMNQESA-N 1 0 310.441 3.470 10 0 DGAERO c1ccc(C[N@H+]2CC[C@@H](OCC3CC3)[C@H]2Cc2ccncc2)nc1 ZINC000247835738 257116032 /nfs/dbraw/zinc/11/60/32/257116032.db2.gz MHBPNDQUINLXBB-WOJBJXKFSA-N 1 0 323.440 3.089 10 0 DGAERO c1cncc(C[N@H+]2C[C@@H]3CCC[C@]3(COCc3ccncc3)C2)c1 ZINC000247816064 257116889 /nfs/dbraw/zinc/11/68/89/257116889.db2.gz BEIMRGDGEHUNEK-VQTJNVASSA-N 1 0 323.440 3.296 10 0 DGAERO c1ccc(COC[C@]23CCC[C@H]2C[N@H+](Cc2ccccn2)C3)nc1 ZINC000247822210 257117084 /nfs/dbraw/zinc/11/70/84/257117084.db2.gz DKNDBWPPXXVSHY-FXAWDEMLSA-N 1 0 323.440 3.296 10 0 DGAERO c1csc(COC[C@@H]2C[C@H]3OCC[N@H+](CC4CC4)[C@@H]3C2)c1 ZINC000247815383 257117351 /nfs/dbraw/zinc/11/73/51/257117351.db2.gz AXIDHUNYJMPGBI-USXIJHARSA-N 1 0 307.459 3.154 10 0 DGAERO O=C1CC[C@H]([NH2+]C2c3ccccc3-c3ccccc32)[C@@H](C2CC2)N1 ZINC000367458237 257236253 /nfs/dbraw/zinc/23/62/53/257236253.db2.gz KCYCLEGQOOJBIJ-AZUAARDMSA-N 1 0 318.420 3.403 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)ccc2F)[C@H](C)C1 ZINC000120950182 195269682 /nfs/dbraw/zinc/26/96/82/195269682.db2.gz LFBDMRXSUCPWMD-WBMJQRKESA-N 1 0 323.412 3.028 10 0 DGAERO CCOCC[N@@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@H]1CC ZINC000121003140 195277840 /nfs/dbraw/zinc/27/78/40/195277840.db2.gz LUAGCHNGRIDWBX-ZMBJWTFHSA-N 1 0 320.452 3.272 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(C)c(C)c3)C2)n1 ZINC000121991959 195386862 /nfs/dbraw/zinc/38/68/62/195386862.db2.gz MSZFQMWHXGRCPA-LJQANCHMSA-N 1 0 312.461 3.424 10 0 DGAERO COCCCCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000122750843 195495343 /nfs/dbraw/zinc/49/53/43/195495343.db2.gz CFSNZTPDYFMBAJ-ZDUSSCGKSA-N 1 0 308.422 3.121 10 0 DGAERO O=C(c1cccc(Cl)c1F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000124828559 195683337 /nfs/dbraw/zinc/68/33/37/195683337.db2.gz SHEOYGAKYAQBQA-SMDDNHRTSA-N 1 0 310.800 3.083 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@@H]1CCOC1 ZINC000127333761 195867422 /nfs/dbraw/zinc/86/74/22/195867422.db2.gz CWBAHFSFHWIEAZ-MWLCHTKSSA-N 1 0 302.187 3.103 10 0 DGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127354524 195868852 /nfs/dbraw/zinc/86/88/52/195868852.db2.gz ASTXLVQZOLWBMK-QZTJIDSGSA-N 1 0 303.446 3.326 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1cccc(Cl)c1 ZINC000127909625 195920150 /nfs/dbraw/zinc/92/01/50/195920150.db2.gz QSUIDQNWUGAZTI-YESZJQIVSA-N 1 0 319.836 3.343 10 0 DGAERO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)C1)c1ccccc1 ZINC000177520673 533241209 /nfs/dbraw/zinc/24/12/09/533241209.db2.gz YLVRWVJHAUPUFR-ZIAGYGMSSA-N 1 0 306.475 3.080 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000311139007 533281472 /nfs/dbraw/zinc/28/14/72/533281472.db2.gz YIDKCCDMHNUJAB-RISCZKNCSA-N 1 0 316.239 3.151 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(OCc2ccccc2)cc1 ZINC000296618481 533542281 /nfs/dbraw/zinc/54/22/81/533542281.db2.gz WSOUPFGNCBJUOP-BEFAXECRSA-N 1 0 324.424 3.195 10 0 DGAERO C[C@@H](CC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)[S@@](C)=O ZINC000160160021 533608015 /nfs/dbraw/zinc/60/80/15/533608015.db2.gz CBIJYZKUMCAFKP-LXGOIASLSA-N 1 0 311.344 3.091 10 0 DGAERO C[C@@H](O)C[N@H+](Cc1nc(C2CCCC2)no1)C1CCCCC1 ZINC000152501300 533658948 /nfs/dbraw/zinc/65/89/48/533658948.db2.gz ILQHPTAEQMJXPK-CYBMUJFWSA-N 1 0 307.438 3.243 10 0 DGAERO Cc1ccc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1Br ZINC000313745216 292889608 /nfs/dbraw/zinc/88/96/08/292889608.db2.gz BHXNJFXQAKWUDU-DOMZBBRYSA-N 1 0 311.267 3.139 10 0 DGAERO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000356908455 285554516 /nfs/dbraw/zinc/55/45/16/285554516.db2.gz XTTHPAFQSHMIIZ-ZWKOTPCHSA-N 1 0 308.510 3.434 10 0 DGAERO Cc1cc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c(C)[nH]1 ZINC000608588450 400087972 /nfs/dbraw/zinc/08/79/72/400087972.db2.gz CHKSONPAUBOBNO-UHFFFAOYSA-N 1 0 324.428 3.400 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]C[C@@H]1CCc1ccccc1 ZINC000006780208 400094693 /nfs/dbraw/zinc/09/46/93/400094693.db2.gz GRBINDIUMVXGFJ-JKSUJKDBSA-N 1 0 304.434 3.122 10 0 DGAERO CC1(C)[C@@H]([NH3+])[C@H]1c1cc(Br)c(Br)o1 ZINC000300934432 400100368 /nfs/dbraw/zinc/10/03/68/400100368.db2.gz FUWZTFZTJRPUGH-RQJHMYQMSA-N 1 0 309.001 3.255 10 0 DGAERO CCN(CCC(F)(F)F)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000608713004 400109502 /nfs/dbraw/zinc/10/95/02/400109502.db2.gz ZPOWZGTUKJAQDC-UHFFFAOYSA-N 1 0 323.403 3.092 10 0 DGAERO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCn2ccccc2=O)o1 ZINC000608510806 400082667 /nfs/dbraw/zinc/08/26/67/400082667.db2.gz ULPKOPSFABXOKL-GOEBONIOSA-N 1 0 300.402 3.223 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CSCCF)c2ccccc21 ZINC000595033818 400084115 /nfs/dbraw/zinc/08/41/15/400084115.db2.gz DFBKRJJLWIYDMS-WFASDCNBSA-N 1 0 310.438 3.165 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2cccc3cccnc32)cc1 ZINC000616635482 400188869 /nfs/dbraw/zinc/18/88/69/400188869.db2.gz GCVPRMBGFNJJFE-LJQANCHMSA-N 1 0 303.409 3.381 10 0 DGAERO CCOC(=O)c1ccccc1[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616602341 400182235 /nfs/dbraw/zinc/18/22/35/400182235.db2.gz ZPLXKLPTNFAFQN-LJQANCHMSA-N 1 0 324.424 3.010 10 0 DGAERO CNc1cccc([C@H]2CCC[N@@H+]2CCNC(=O)OC(C)(C)C)c1 ZINC000616608594 400182885 /nfs/dbraw/zinc/18/28/85/400182885.db2.gz WMWSSVIWVNAGRL-MRXNPFEDSA-N 1 0 319.449 3.390 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCC[N@@H+]1CCO ZINC000616607625 400183113 /nfs/dbraw/zinc/18/31/13/400183113.db2.gz KSZIHMDYFREDHS-OAHLLOKOSA-N 1 0 306.406 3.163 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCCN1CC[NH3+] ZINC000616608346 400183431 /nfs/dbraw/zinc/18/34/31/400183431.db2.gz QRGGOCDYYZCFIE-OAHLLOKOSA-N 1 0 305.422 3.129 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCC[N@@H+]2CCO)c1 ZINC000616608231 400183449 /nfs/dbraw/zinc/18/34/49/400183449.db2.gz PNKBPPMGTIWOMP-INIZCTEOSA-N 1 0 320.433 3.187 10 0 DGAERO FC(F)(F)C1CCC([NH2+]C[C@@H]2CCc3nccn3C2)CC1 ZINC000328641240 400183524 /nfs/dbraw/zinc/18/35/24/400183524.db2.gz QNAVYNFNNPWHPF-HIFPTAJRSA-N 1 0 301.356 3.156 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2cccc3cnccc32)cc1 ZINC000616604656 400183710 /nfs/dbraw/zinc/18/37/10/400183710.db2.gz YBYLBEMUSLQAEX-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1cccc(C(C)C)n1)C1CC1 ZINC000328629729 400183887 /nfs/dbraw/zinc/18/38/87/400183887.db2.gz IOURBXIFSJNKNU-SFHVURJKSA-N 1 0 315.461 3.180 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCCN1CC[NH3+] ZINC000616633657 400189176 /nfs/dbraw/zinc/18/91/76/400189176.db2.gz QWDDYVYZJPGDRI-MRXNPFEDSA-N 1 0 319.449 3.154 10 0 DGAERO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H]1CCc2nccn2C1 ZINC000328648971 400184095 /nfs/dbraw/zinc/18/40/95/400184095.db2.gz UVCSUQRNOCEMRA-GFCCVEGCSA-N 1 0 307.800 3.370 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1c1ccccc1N ZINC000616615406 400184585 /nfs/dbraw/zinc/18/45/85/400184585.db2.gz YDRFFFFQKQGDJF-MRXNPFEDSA-N 1 0 319.449 3.321 10 0 DGAERO CNc1ccccc1[C@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616612663 400184970 /nfs/dbraw/zinc/18/49/70/400184970.db2.gz QMQQMMZYFMKACK-AWEZNQCLSA-N 1 0 319.449 3.042 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1c1cccc(I)c1 ZINC000306214690 400123872 /nfs/dbraw/zinc/12/38/72/400123872.db2.gz NOXWJEZGHXBOJI-JOYOIKCWSA-N 1 0 301.171 3.004 10 0 DGAERO C[C@](C[NH3+])([C@@H]1CCOC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000306948746 400127496 /nfs/dbraw/zinc/12/74/96/400127496.db2.gz AAPXMHFNBYDJPZ-RTWAWAEBSA-N 1 0 324.468 3.443 10 0 DGAERO O[C@@H](C[NH2+]CCCCF)COc1ccc(Cl)cc1Cl ZINC000311472310 400134950 /nfs/dbraw/zinc/13/49/50/400134950.db2.gz OWYIIRFQVBKIGH-NSHDSACASA-N 1 0 310.196 3.072 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2ccc3ccncc3c2)cc1 ZINC000616635436 400189370 /nfs/dbraw/zinc/18/93/70/400189370.db2.gz CIUYPNJIKLSYRW-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc(C2CCN(CC[NH3+])CC2)cc1 ZINC000616619586 400186846 /nfs/dbraw/zinc/18/68/46/400186846.db2.gz OKEQVMQAKKMFCV-UHFFFAOYSA-N 1 0 319.449 3.172 10 0 DGAERO COc1cccc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000015679532 400168262 /nfs/dbraw/zinc/16/82/62/400168262.db2.gz HNPZBWRDDCOCJP-UHFFFAOYSA-N 1 0 317.433 3.035 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000588922018 400244416 /nfs/dbraw/zinc/24/44/16/400244416.db2.gz ZJVQQVVKVBXASR-GFCCVEGCSA-N 1 0 319.836 3.426 10 0 DGAERO CC[N@H+](CCNC(=O)c1c[nH]c2cc(Cl)ccc12)C1CC1 ZINC000588929343 400246952 /nfs/dbraw/zinc/24/69/52/400246952.db2.gz YVMIPAYZYMVCFM-UHFFFAOYSA-N 1 0 305.809 3.035 10 0 DGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000601152510 400249332 /nfs/dbraw/zinc/24/93/32/400249332.db2.gz DDEACXAHZIMBBP-MRXNPFEDSA-N 1 0 317.433 3.006 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2COCCC[NH2+]2)c1 ZINC000616645941 400192509 /nfs/dbraw/zinc/19/25/09/400192509.db2.gz CROFTTVEKJTJQV-HNNXBMFYSA-N 1 0 306.406 3.109 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCOCC[N@@H+]1C ZINC000616655607 400193927 /nfs/dbraw/zinc/19/39/27/400193927.db2.gz HUSIBHZOKXNGGG-OAHLLOKOSA-N 1 0 320.433 3.451 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccc2cccnc2c1 ZINC000616679122 400200657 /nfs/dbraw/zinc/20/06/57/400200657.db2.gz CSLXGOYNTLTVND-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccc2cnccc2c1 ZINC000616681285 400201817 /nfs/dbraw/zinc/20/18/17/400201817.db2.gz WSWSRWMFOGBFQP-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cc2ccccc2cn1 ZINC000616682258 400202089 /nfs/dbraw/zinc/20/20/89/400202089.db2.gz HNRARHBXHUFROI-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1nccc2ccccc21 ZINC000616692425 400206739 /nfs/dbraw/zinc/20/67/39/400206739.db2.gz RDAALSLXNZRSEX-HXUWFJFHSA-N 1 0 303.409 3.141 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cccc3cccnc32)Nc2ccccc21 ZINC000616693479 400206855 /nfs/dbraw/zinc/20/68/55/400206855.db2.gz UMOJAJFRXITJQV-KRWDZBQOSA-N 1 0 304.397 3.167 10 0 DGAERO COCC1(C[NH2+]Cc2ccsc2Br)CCC1 ZINC000388493582 400267763 /nfs/dbraw/zinc/26/77/63/400267763.db2.gz IOVYUQJDOJDQSY-UHFFFAOYSA-N 1 0 304.253 3.417 10 0 DGAERO CCC[C@@H](CCO)C[NH2+]Cc1ccsc1Br ZINC000388751404 400268128 /nfs/dbraw/zinc/26/81/28/400268128.db2.gz OSLHJBVZTTTZBW-JTQLQIEISA-N 1 0 306.269 3.399 10 0 DGAERO CC[N@@H+]1CCC[C@@H](Nc2nc(-c3ccccn3)nc(C)c2C)C1 ZINC000068669687 400278710 /nfs/dbraw/zinc/27/87/10/400278710.db2.gz QRADZRGDAVYSGG-OAHLLOKOSA-N 1 0 311.433 3.052 10 0 DGAERO c1cc(-c2noc(CN3CCC(OC4CCCC4)CC3)n2)co1 ZINC000105608814 400322991 /nfs/dbraw/zinc/32/29/91/400322991.db2.gz TZXVARALKFVRRO-UHFFFAOYSA-N 1 0 317.389 3.253 10 0 DGAERO Cc1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1Br ZINC000398530315 400287406 /nfs/dbraw/zinc/28/74/06/400287406.db2.gz GZLAFUSYDVPERK-AWEZNQCLSA-N 1 0 300.240 3.254 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC(C)(C)c1ccccc1 ZINC000106430817 400326229 /nfs/dbraw/zinc/32/62/29/400326229.db2.gz GEMXNAJPOWMGMH-IBGZPJMESA-N 1 0 324.468 3.253 10 0 DGAERO C[C@H]1C[C@@H](NCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000404428541 400295052 /nfs/dbraw/zinc/29/50/52/400295052.db2.gz GFCKRWUEIBKBKE-HOCLYGCPSA-N 1 0 301.459 3.286 10 0 DGAERO C[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106424929 400326298 /nfs/dbraw/zinc/32/62/98/400326298.db2.gz DMZBPOHYQLAALR-PXNSSMCTSA-N 1 0 324.468 3.297 10 0 DGAERO C[C@H]1CCC[N@H+](CCN2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000072312046 400381436 /nfs/dbraw/zinc/38/14/36/400381436.db2.gz KLTGLSCNSTWFQB-FXAWDEMLSA-N 1 0 316.489 3.164 10 0 DGAERO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1ccc(Cl)cn1 ZINC000113977677 400384460 /nfs/dbraw/zinc/38/44/60/400384460.db2.gz VENICJGXTDHWPX-LBPRGKRZSA-N 1 0 301.777 3.064 10 0 DGAERO CCc1nc(Cl)c2n1CC[NH2+][C@H]2CCc1ccc(C#N)cc1 ZINC000114155591 400385735 /nfs/dbraw/zinc/38/57/35/400385735.db2.gz ZOZMMVHLJVVLOO-AWEZNQCLSA-N 1 0 314.820 3.248 10 0 DGAERO NC(=[NH2+])c1ccc(Oc2ccc(Br)cc2F)nc1 ZINC000034957338 400386705 /nfs/dbraw/zinc/38/67/05/400386705.db2.gz BBARDFLTDLEACY-UHFFFAOYSA-N 1 0 310.126 3.060 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cccnc1C)c1ccccc1 ZINC000611080264 400344442 /nfs/dbraw/zinc/34/44/42/400344442.db2.gz UEQLBQKIEMVDIZ-QGZVFWFLSA-N 1 0 312.413 3.420 10 0 DGAERO CN1CC[N@H+](CCOc2ccc(F)cc2)Cc2ccccc21 ZINC000590065152 400353257 /nfs/dbraw/zinc/35/32/57/400353257.db2.gz VVBNLQPJANWRPG-UHFFFAOYSA-N 1 0 300.377 3.157 10 0 DGAERO O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917454 400395147 /nfs/dbraw/zinc/39/51/47/400395147.db2.gz LFDGSTUSHLJPNP-DOMZBBRYSA-N 1 0 307.825 3.336 10 0 DGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)C(C)(C)C ZINC000112463289 400373033 /nfs/dbraw/zinc/37/30/33/400373033.db2.gz SCMKAEMEGSKYEG-CQSZACIVSA-N 1 0 323.456 3.334 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NC/C=C/c2ccccc2)CC1 ZINC000112747290 400376659 /nfs/dbraw/zinc/37/66/59/400376659.db2.gz SNBJFLWWFACFHP-RMKNXTFCSA-N 1 0 315.461 3.121 10 0 DGAERO CC(C)c1ccc(CCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000117056183 400414091 /nfs/dbraw/zinc/41/40/91/400414091.db2.gz VWQIWARAGQJVER-GOSISDBHSA-N 1 0 317.477 3.088 10 0 DGAERO C[NH+](C)[C@@H]1[C@@H]2CC[C@@H](O)[C@H]1Cc1cc(Cl)c(Cl)cc12 ZINC000038818150 400396104 /nfs/dbraw/zinc/39/61/04/400396104.db2.gz DQFNXKXZFUZQJG-NZQZLILVSA-N 1 0 300.229 3.334 10 0 DGAERO COc1ccc(C(=O)Nc2ccc([C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000117723378 400420768 /nfs/dbraw/zinc/42/07/68/400420768.db2.gz KBENMJATUUCARX-INIZCTEOSA-N 1 0 310.397 3.415 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc2cc(F)ccc2o1 ZINC000117767789 400421808 /nfs/dbraw/zinc/42/18/08/400421808.db2.gz CDYVKAUNFXDVEM-CQSZACIVSA-N 1 0 306.381 3.278 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2C(C)C)CC1 ZINC000117488271 400418715 /nfs/dbraw/zinc/41/87/15/400418715.db2.gz ZROSYFIPZVWJTG-QGZVFWFLSA-N 1 0 309.498 3.329 10 0 DGAERO COC(=O)[C@H](C1CC1)[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611661768 400434859 /nfs/dbraw/zinc/43/48/59/400434859.db2.gz ZCEUPOWSHWYZJR-SQNIBIBYSA-N 1 0 317.429 3.038 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000120867827 400449635 /nfs/dbraw/zinc/44/96/35/400449635.db2.gz GAVMRCCPARGTSE-WMZOPIPTSA-N 1 0 302.462 3.116 10 0 DGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000591202196 400499309 /nfs/dbraw/zinc/49/93/09/400499309.db2.gz KUFYFYRAMJHKMC-ZDUSSCGKSA-N 1 0 319.836 3.378 10 0 DGAERO [NH3+][C@H](CC1CCC1)c1ccc(I)cc1 ZINC000128389899 400513860 /nfs/dbraw/zinc/51/38/60/400513860.db2.gz DDFZXDDJXRJAKB-GFCCVEGCSA-N 1 0 301.171 3.481 10 0 DGAERO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000043588622 400472826 /nfs/dbraw/zinc/47/28/26/400472826.db2.gz VEOXRFIVGPVBIR-MNOVXSKESA-N 1 0 300.855 3.359 10 0 DGAERO O=C(C[N@@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccccc1F ZINC000124275220 400474160 /nfs/dbraw/zinc/47/41/60/400474160.db2.gz LWGYHUSJGUCVNS-INIZCTEOSA-N 1 0 312.388 3.329 10 0 DGAERO C(=C\c1ccccc1)\C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000591908860 400577197 /nfs/dbraw/zinc/57/71/97/400577197.db2.gz IVGVIZOHJYLOCG-YWEYNIOJSA-N 1 0 308.429 3.117 10 0 DGAERO CC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)C)c1nccs1 ZINC000130643262 400541614 /nfs/dbraw/zinc/54/16/14/400541614.db2.gz PWZDQOQRQOXUDT-ZIAGYGMSSA-N 1 0 303.431 3.013 10 0 DGAERO CC(C)c1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC000075163113 400561942 /nfs/dbraw/zinc/56/19/42/400561942.db2.gz ARBKNHVGTIYBOF-MQVJKMGUSA-N 1 0 316.445 3.261 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)c(C)n1 ZINC000358007813 285942506 /nfs/dbraw/zinc/94/25/06/285942506.db2.gz RWAAHKQACRPBOD-CQSZACIVSA-N 1 0 321.428 3.189 10 0 DGAERO Clc1cc(Cl)cc(NCC[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000139195427 400604691 /nfs/dbraw/zinc/60/46/91/400604691.db2.gz RHXNPRUEPKZKOR-HNNXBMFYSA-N 1 0 314.260 3.089 10 0 DGAERO CC(C)c1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000139370643 400605418 /nfs/dbraw/zinc/60/54/18/400605418.db2.gz RPPJUCMANPWMFH-PBHICJAKSA-N 1 0 303.450 3.264 10 0 DGAERO C[NH+](C)CCOc1ccc([C@H](O)c2ccc(Cl)cc2)cc1 ZINC000145173130 400645291 /nfs/dbraw/zinc/64/52/91/400645291.db2.gz WSJPKDUOVDFDCB-QGZVFWFLSA-N 1 0 305.805 3.362 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cc(F)ccc2F)[C@H](C)C1 ZINC000076484346 400657281 /nfs/dbraw/zinc/65/72/81/400657281.db2.gz SWXGNHACKIDWSZ-DYVFJYSZSA-N 1 0 324.415 3.086 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cccc(C)c2)[C@H](C)C1 ZINC000076481031 400657839 /nfs/dbraw/zinc/65/78/39/400657839.db2.gz ZPJOTACOMPJCLJ-SJLPKXTDSA-N 1 0 302.462 3.116 10 0 DGAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F)cc1 ZINC000076574438 400662048 /nfs/dbraw/zinc/66/20/48/400662048.db2.gz KUUNIJCVIXQPGS-LBPRGKRZSA-N 1 0 316.367 3.481 10 0 DGAERO Cc1cccc(NC[C@H]2CC[N@@H+](CCOCCC(C)C)C2)n1 ZINC000151112360 400669659 /nfs/dbraw/zinc/66/96/59/400669659.db2.gz BYUNXIKMLUAHPE-QGZVFWFLSA-N 1 0 305.466 3.187 10 0 DGAERO c1ccc(-n2nnnc2CC[N@H+](C2CC2)C2CCCCC2)cc1 ZINC000613432547 400719543 /nfs/dbraw/zinc/71/95/43/400719543.db2.gz NFLUBWOCJNAWQA-UHFFFAOYSA-N 1 0 311.433 3.002 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCc3c2cccc3C)CC1 ZINC000157821546 400720540 /nfs/dbraw/zinc/72/05/40/400720540.db2.gz KHHNRVYPQODDFK-UHFFFAOYSA-N 1 0 315.461 3.189 10 0 DGAERO CS[C@@H](C)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000162708898 400745174 /nfs/dbraw/zinc/74/51/74/400745174.db2.gz BBFJLQFAXGMSBC-VHSXEESVSA-N 1 0 324.273 3.074 10 0 DGAERO C[C@@H]1C[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604176044 400752537 /nfs/dbraw/zinc/75/25/37/400752537.db2.gz TUEIVWJQHLVPRA-NXHRZFHOSA-N 1 0 315.461 3.169 10 0 DGAERO CC[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1nccs1 ZINC000157214699 400716185 /nfs/dbraw/zinc/71/61/85/400716185.db2.gz LGSYEYLHAREFBV-UONOGXRCSA-N 1 0 324.494 3.015 10 0 DGAERO CCC(CC)(CNC(=O)C(C)(C)OC)[NH2+][C@H](C)c1ccccc1 ZINC000171873378 400809279 /nfs/dbraw/zinc/80/92/79/400809279.db2.gz IJOQBBOAAPMPRE-OAHLLOKOSA-N 1 0 320.477 3.437 10 0 DGAERO Brc1cccc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000054301339 400817616 /nfs/dbraw/zinc/81/76/16/400817616.db2.gz CNNUHGXUKJMPOK-SNVBAGLBSA-N 1 0 322.206 3.041 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000054307255 400817741 /nfs/dbraw/zinc/81/77/41/400817741.db2.gz WZLDYASKOXJGTP-RISCZKNCSA-N 1 0 324.877 3.383 10 0 DGAERO CC(C)Oc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000054307373 400817901 /nfs/dbraw/zinc/81/79/01/400817901.db2.gz DYVDXBQYVCQEDQ-LBPRGKRZSA-N 1 0 310.825 3.455 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC000170829163 400776312 /nfs/dbraw/zinc/77/63/12/400776312.db2.gz HZGBKIMZJJTNAE-ABHNRTSZSA-N 1 0 315.461 3.058 10 0 DGAERO Cc1cc(O[C@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1C(C)C ZINC000170865459 400777962 /nfs/dbraw/zinc/77/79/62/400777962.db2.gz ANWRCKMPDKMFLC-CVEARBPZSA-N 1 0 318.461 3.048 10 0 DGAERO Cc1cc(F)ccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000171128832 400785572 /nfs/dbraw/zinc/78/55/72/400785572.db2.gz WAPPBPRPHIXMTJ-CYBMUJFWSA-N 1 0 321.417 3.388 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000171171503 400788466 /nfs/dbraw/zinc/78/84/66/400788466.db2.gz PJEXVXOWWDELPE-HUUCEWRRSA-N 1 0 319.449 3.247 10 0 DGAERO CC[C@H]1CCCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172477837 400829374 /nfs/dbraw/zinc/82/93/74/400829374.db2.gz MJZAKNNIVYJFGX-KRWDZBQOSA-N 1 0 307.482 3.225 10 0 DGAERO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H](C)c2ccncc2)c1 ZINC000619509169 400857637 /nfs/dbraw/zinc/85/76/37/400857637.db2.gz UEPOILPSFUGZFR-GFCCVEGCSA-N 1 0 318.804 3.415 10 0 DGAERO CCc1cnc(CC[NH2+]CC2=Cc3ccccc3OC2)s1 ZINC000174624756 400860522 /nfs/dbraw/zinc/86/05/22/400860522.db2.gz PJJRDZCZOFXELH-UHFFFAOYSA-N 1 0 300.427 3.314 10 0 DGAERO C[NH+](C)[C@@H]1Cc2cccc3c2[C@@H](CN3C(=O)c2ccccc2)C1 ZINC000216317128 400947861 /nfs/dbraw/zinc/94/78/61/400947861.db2.gz CEWGNNJWNATFNT-IAGOWNOFSA-N 1 0 306.409 3.307 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]CCOCC(C)C)c1ccccc1 ZINC000619720498 400893437 /nfs/dbraw/zinc/89/34/37/400893437.db2.gz JEMRZMJLUPFZCI-MRXNPFEDSA-N 1 0 307.434 3.189 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000606240042 400896937 /nfs/dbraw/zinc/89/69/37/400896937.db2.gz GXWFWFZDIXQIJS-SJORKVTESA-N 1 0 302.462 3.479 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@@H]3CCCC[C@@H]3C)CC2)nn1 ZINC000183053762 400899598 /nfs/dbraw/zinc/89/95/98/400899598.db2.gz AAPGKFFFVWLEKA-RDJZCZTQSA-N 1 0 302.466 3.123 10 0 DGAERO C[C@@H](NC(=O)CC/C=C\c1ccccc1)C1CC[NH+](C)CC1 ZINC000606371586 400903521 /nfs/dbraw/zinc/90/35/21/400903521.db2.gz HEVPVQCHPTVZCD-CXSQMQJXSA-N 1 0 300.446 3.327 10 0 DGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC/C=C\c1ccccc1 ZINC000606372870 400904773 /nfs/dbraw/zinc/90/47/73/400904773.db2.gz GFORHXCANKSRFN-HJLMUGLJSA-N 1 0 300.446 3.280 10 0 DGAERO CC[C@](C)(COc1ncccc1Cl)[NH2+]C[C@H](C)COC ZINC000188159527 400907417 /nfs/dbraw/zinc/90/74/17/400907417.db2.gz JKQSVMRGQMTWON-SWLSCSKDSA-N 1 0 300.830 3.155 10 0 DGAERO CCC1=[N+]([O-])[C@@](C)(c2ccc(C)cc2)[N+](O)=C1c1ccccc1 ZINC000606446681 400914367 /nfs/dbraw/zinc/91/43/67/400914367.db2.gz ZLNXPHJSECBUBV-LJQANCHMSA-N 1 0 310.397 3.325 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)N(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080167385 400929003 /nfs/dbraw/zinc/92/90/03/400929003.db2.gz CIIZYHBEODMVRB-NVXWUHKLSA-N 1 0 315.461 3.233 10 0 DGAERO Cc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000056528519 400933072 /nfs/dbraw/zinc/93/30/72/400933072.db2.gz XFXWAQXGZYRPLU-QGZVFWFLSA-N 1 0 311.429 3.289 10 0 DGAERO c1ccc2c(c1)ncnc2N1CCC(C[NH+]2CCCCC2)CC1 ZINC000620932342 401015060 /nfs/dbraw/zinc/01/50/60/401015060.db2.gz HTQZXPVGFVBSTC-UHFFFAOYSA-N 1 0 310.445 3.332 10 0 DGAERO [NH3+]C[C@@H]1C[C@H]1c1ccc(Br)c(Br)c1 ZINC000236175081 400977968 /nfs/dbraw/zinc/97/79/68/400977968.db2.gz DBVJHZLYECSIEG-YUMQZZPRSA-N 1 0 305.013 3.274 10 0 DGAERO Cc1ccccc1SCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000057159978 400978830 /nfs/dbraw/zinc/97/88/30/400978830.db2.gz LZGZMTRXCQBTNZ-UHFFFAOYSA-N 1 0 308.491 3.322 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1c(C)cccc1OC ZINC000248844307 401078441 /nfs/dbraw/zinc/07/84/41/401078441.db2.gz SLBHTVWLHPETEZ-CABCVRRESA-N 1 0 317.433 3.094 10 0 DGAERO CCO[C@H](CC)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000607539851 401080534 /nfs/dbraw/zinc/08/05/34/401080534.db2.gz UHLPLIOTPNZZHI-IIAWOOMASA-N 1 0 324.490 3.062 10 0 DGAERO CCC[NH+]1CCC(NC(=O)CSc2ccccc2C)CC1 ZINC000061031354 401145547 /nfs/dbraw/zinc/14/55/47/401145547.db2.gz WDGJXXTVMZNSAB-UHFFFAOYSA-N 1 0 306.475 3.078 10 0 DGAERO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CCOC2CCOCC2)cc1 ZINC000625362462 401111053 /nfs/dbraw/zinc/11/10/53/401111053.db2.gz ZORUBHGCQKAANG-HKUYNNGSSA-N 1 0 303.446 3.183 10 0 DGAERO O=C(N[C@H](Cc1ccccc1)C1CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262455402 401116725 /nfs/dbraw/zinc/11/67/25/401116725.db2.gz HTQYJFWOXZUQLE-MKXGPGLRSA-N 1 0 312.457 3.045 10 0 DGAERO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262472839 401117573 /nfs/dbraw/zinc/11/75/73/401117573.db2.gz OUASMHXFKIAASV-SJQORLFUSA-N 1 0 312.457 3.312 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1OC(F)F ZINC000262466829 401117719 /nfs/dbraw/zinc/11/77/19/401117719.db2.gz MHAAFGASHAIYIQ-YUTCNCBUSA-N 1 0 324.371 3.456 10 0 DGAERO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCN1CC=C(C)CC1 ZINC000358222219 286001796 /nfs/dbraw/zinc/00/17/96/286001796.db2.gz JTOFPRNOOYNZSQ-GOSISDBHSA-N 1 0 300.446 3.450 10 0 DGAERO c1ccc([C@@H]2C[N@@H+](CCOC3CCOCC3)[C@H]3CCC[C@H]23)cc1 ZINC000625424322 401124946 /nfs/dbraw/zinc/12/49/46/401124946.db2.gz IFGWQSHSXXMIJZ-AABGKKOBSA-N 1 0 315.457 3.450 10 0 DGAERO CN(C)C(=O)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000061761354 401163553 /nfs/dbraw/zinc/16/35/53/401163553.db2.gz SPJVVBWZGVRMEI-UHFFFAOYSA-N 1 0 314.351 3.006 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCN2CC=C(C)CC2)c(OC)c1 ZINC000358239087 286007624 /nfs/dbraw/zinc/00/76/24/286007624.db2.gz OPXMAOAHYPDMOH-HNNXBMFYSA-N 1 0 304.434 3.006 10 0 DGAERO Cc1nccnc1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000621327196 401165646 /nfs/dbraw/zinc/16/56/46/401165646.db2.gz FXFMKNYQICJTDL-JTQLQIEISA-N 1 0 306.207 3.398 10 0 DGAERO CC[C@H]([NH2+]CCN1CC=C(C)CC1)c1ccc2c(c1)OCCO2 ZINC000358260736 286014124 /nfs/dbraw/zinc/01/41/24/286014124.db2.gz VXKKRRVAIQXAOP-KRWDZBQOSA-N 1 0 316.445 3.151 10 0 DGAERO Cc1nc([C@@H](C)[NH2+]CC[C@@H]2COc3ccccc3O2)cs1 ZINC000358280737 286019352 /nfs/dbraw/zinc/01/93/52/286019352.db2.gz BQUFAYDMCYIONT-DGCLKSJQSA-N 1 0 304.415 3.332 10 0 DGAERO C[C@H](Nc1nn2cc(C(C)(C)C)nc2s1)C(C)(C)C[NH+](C)C ZINC000085688219 401172827 /nfs/dbraw/zinc/17/28/27/401172827.db2.gz GBENZFMAXZXHLD-NSHDSACASA-N 1 0 323.510 3.477 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(F)cn1 ZINC000358302356 286025499 /nfs/dbraw/zinc/02/54/99/286025499.db2.gz QNDZBUUADYPAHS-TZMCWYRMSA-N 1 0 302.349 3.101 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000630077531 401178106 /nfs/dbraw/zinc/17/81/06/401178106.db2.gz RVPLLGKNAUTULU-JXFKEZNVSA-N 1 0 314.473 3.308 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000630077532 401178461 /nfs/dbraw/zinc/17/84/61/401178461.db2.gz RVPLLGKNAUTULU-OXJNMPFZSA-N 1 0 314.473 3.308 10 0 DGAERO COc1cc(C[NH2+]CC[C@H]2CC2(F)F)cc(Cl)c1OC ZINC000621379024 401192466 /nfs/dbraw/zinc/19/24/66/401192466.db2.gz KDXUHWDASVDMEZ-JTQLQIEISA-N 1 0 305.752 3.492 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC000621387801 401195808 /nfs/dbraw/zinc/19/58/08/401195808.db2.gz OXUOFFSWUFZTHD-GUDVDZBRSA-N 1 0 300.446 3.313 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3[NH2+]CCN1CCC1)CCCC2 ZINC000358336112 286035343 /nfs/dbraw/zinc/03/53/43/286035343.db2.gz CMZGMCXAMTYRHI-GOSISDBHSA-N 1 0 300.446 3.074 10 0 DGAERO C[C@@H]1CC[C@H](Nc2ncc(Cl)cc2Br)C[NH2+]1 ZINC000630093397 401182956 /nfs/dbraw/zinc/18/29/56/401182956.db2.gz NSJIGJGRUCANPE-APPZFPTMSA-N 1 0 304.619 3.050 10 0 DGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cscc1C(F)(F)F ZINC000621623956 401263448 /nfs/dbraw/zinc/26/34/48/401263448.db2.gz QVGHIJIFSYMART-LLVKDONJSA-N 1 0 308.369 3.212 10 0 DGAERO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000358361106 286041622 /nfs/dbraw/zinc/04/16/22/286041622.db2.gz WAWLHTNAIOKEQG-BJJXKVORSA-N 1 0 324.415 3.305 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)nc(C)c2)c2ccccc21 ZINC000621764225 401297808 /nfs/dbraw/zinc/29/78/08/401297808.db2.gz BKBDFUOUKCCYJU-SFHVURJKSA-N 1 0 309.413 3.286 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000626114154 401303666 /nfs/dbraw/zinc/30/36/66/401303666.db2.gz VJESQBZZIJNGEZ-AWEZNQCLSA-N 1 0 314.429 3.482 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634952260 401387830 /nfs/dbraw/zinc/38/78/30/401387830.db2.gz ULFUJALKGRXDEV-KFWWJZLASA-N 1 0 301.496 3.148 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(F)c(Cl)c1 ZINC000634955757 401388084 /nfs/dbraw/zinc/38/80/84/401388084.db2.gz PFKYSKSAJIDIPP-JQWIXIFHSA-N 1 0 319.829 3.097 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]CC3=CCCOC3)[C@H]21 ZINC000631193329 401422221 /nfs/dbraw/zinc/42/22/21/401422221.db2.gz NWLSFFOWZUFVAJ-IMJJTQAJSA-N 1 0 320.230 3.024 10 0 DGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]CC1=CCCOC1 ZINC000631220813 401429880 /nfs/dbraw/zinc/42/98/80/401429880.db2.gz BCHCJBCIXNNHSO-PMPSAXMXSA-N 1 0 320.230 3.024 10 0 DGAERO c1c(C[NH2+]Cc2cccc3c2CCOC3)[nH]nc1-c1ccccc1 ZINC000631243558 401435600 /nfs/dbraw/zinc/43/56/00/401435600.db2.gz BDSSRHFCWIUXPT-UHFFFAOYSA-N 1 0 319.408 3.439 10 0 DGAERO c1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c2c(c1)COCC2 ZINC000631244173 401435672 /nfs/dbraw/zinc/43/56/72/401435672.db2.gz NKMGMTFKLNKCLC-UHFFFAOYSA-N 1 0 323.440 3.044 10 0 DGAERO c1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000631246057 401436340 /nfs/dbraw/zinc/43/63/40/401436340.db2.gz XHIKOMSKYFBHMQ-UHFFFAOYSA-N 1 0 319.408 3.235 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000631254030 401438587 /nfs/dbraw/zinc/43/85/87/401438587.db2.gz JJABWCAGHFIWDB-OWCLPIDISA-N 1 0 322.474 3.432 10 0 DGAERO c1cnn(-c2cccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)c2)c1 ZINC000631256988 401439531 /nfs/dbraw/zinc/43/95/31/401439531.db2.gz YSFNYCNUWOPZHJ-RBUKOAKNSA-N 1 0 311.429 3.310 10 0 DGAERO c1cc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)n(CC2CCC2)n1 ZINC000631256974 401440130 /nfs/dbraw/zinc/44/01/30/401440130.db2.gz YKJGKCNMNIQFEH-QZTJIDSGSA-N 1 0 303.450 3.121 10 0 DGAERO CCC1([NH+](C)C)CCN(c2cncc(Br)c2)CC1 ZINC000631477711 401477804 /nfs/dbraw/zinc/47/78/04/401477804.db2.gz OWBBPFGLSDZYJY-UHFFFAOYSA-N 1 0 312.255 3.155 10 0 DGAERO c1cn(C2CCCC2)nc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631600084 401510833 /nfs/dbraw/zinc/51/08/33/401510833.db2.gz MCKNJMXZPHTECA-ULQDDVLXSA-N 1 0 301.434 3.045 10 0 DGAERO COc1ccc(Cl)c(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358458318 286068048 /nfs/dbraw/zinc/06/80/48/286068048.db2.gz NPVJSHOIYZVTMQ-UHFFFAOYSA-N 1 0 323.824 3.122 10 0 DGAERO c1sc(C2CCCC2)nc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889711 401564813 /nfs/dbraw/zinc/56/48/13/401564813.db2.gz LWWQFXMKDJXGTA-HOCLYGCPSA-N 1 0 305.491 3.375 10 0 DGAERO CC(=O)N(c1nc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)cs1)C1CC1 ZINC000623741200 401574595 /nfs/dbraw/zinc/57/45/95/401574595.db2.gz LJUCZXSTXDKVTG-FVCICTRLSA-N 1 0 319.474 3.184 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1Br ZINC000623754800 401576355 /nfs/dbraw/zinc/57/63/55/401576355.db2.gz SOCZIEYZOHZPGJ-UKRRQHHQSA-N 1 0 310.235 3.415 10 0 DGAERO c1nc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)sc1-c1ccccc1 ZINC000623754083 401576396 /nfs/dbraw/zinc/57/63/96/401576396.db2.gz IYTRTIFMCSQYFY-GJZGRUSLSA-N 1 0 300.427 3.467 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1Br ZINC000623754798 401576589 /nfs/dbraw/zinc/57/65/89/401576589.db2.gz SOCZIEYZOHZPGJ-DZGCQCFKSA-N 1 0 310.235 3.415 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000623902124 401596530 /nfs/dbraw/zinc/59/65/30/401596530.db2.gz BBFHBSSYCGWSOI-IZBJGVDFSA-N 1 0 316.489 3.444 10 0 DGAERO COCC(C)(C)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623530567 401541235 /nfs/dbraw/zinc/54/12/35/401541235.db2.gz BUCFKLAXDVKCMC-UHFFFAOYSA-N 1 0 322.193 3.490 10 0 DGAERO c1nn2c(c1NC1CC[NH+](Cc3ccccc3)CC1)CCCC2 ZINC000631714657 401542858 /nfs/dbraw/zinc/54/28/58/401542858.db2.gz RPHUEUYCYYHWKL-UHFFFAOYSA-N 1 0 310.445 3.296 10 0 DGAERO c1csc([C@H]([NH2+]C2CN(c3ccncn3)C2)C2CCCC2)c1 ZINC000631746635 401548190 /nfs/dbraw/zinc/54/81/90/401548190.db2.gz OOWNIJCGKJEPCF-QGZVFWFLSA-N 1 0 314.458 3.248 10 0 DGAERO Cc1nc(C)c(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000628227038 401553704 /nfs/dbraw/zinc/55/37/04/401553704.db2.gz OKJKBFPWKZVEOH-AWEZNQCLSA-N 1 0 301.434 3.292 10 0 DGAERO c1nc(C2CC2)c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)s1 ZINC000623602579 401553991 /nfs/dbraw/zinc/55/39/91/401553991.db2.gz WPTLZFJYQRXVRM-HNNXBMFYSA-N 1 0 300.427 3.252 10 0 DGAERO c1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCN3C3CCCCC3)C2)cc1 ZINC000623614452 401556549 /nfs/dbraw/zinc/55/65/49/401556549.db2.gz HDOSCAURKGUZOW-PXNSSMCTSA-N 1 0 313.489 3.262 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]CC1COC1)CCS2 ZINC000624234145 401642458 /nfs/dbraw/zinc/64/24/58/401642458.db2.gz YLDRDOGAOMASGP-GFCCVEGCSA-N 1 0 314.248 3.222 10 0 DGAERO c1ccc(N2CCOCC2)c(C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000628480230 401604713 /nfs/dbraw/zinc/60/47/13/401604713.db2.gz GNXSVRDSRGVLFA-UHFFFAOYSA-N 1 0 300.446 3.289 10 0 DGAERO COCC(C)(C)C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000494841783 292197491 /nfs/dbraw/zinc/19/74/91/292197491.db2.gz HEXXFVYMAGEOPL-LJQANCHMSA-N 1 0 304.478 3.303 10 0 DGAERO C(c1nc(C2CCCCC2)no1)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624061906 401620602 /nfs/dbraw/zinc/62/06/02/401620602.db2.gz NKKJAUJQOQFMHY-MRXNPFEDSA-N 1 0 319.449 3.161 10 0 DGAERO CC(C)Cn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccco1 ZINC000358886016 286177641 /nfs/dbraw/zinc/17/76/41/286177641.db2.gz POWOVEBVTLMIDJ-LBPRGKRZSA-N 1 0 308.451 3.236 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@@H]1CCCCO1 ZINC000358917479 286186803 /nfs/dbraw/zinc/18/68/03/286186803.db2.gz UWZUUMCLENIQGI-WMZOPIPTSA-N 1 0 311.429 3.408 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@H]1CCCOCC1 ZINC000358962610 286199421 /nfs/dbraw/zinc/19/94/21/286199421.db2.gz HSFKZERADJHMFT-MAUKXSAKSA-N 1 0 311.429 3.408 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCc1ccncc1 ZINC000358951598 286196208 /nfs/dbraw/zinc/19/62/08/286196208.db2.gz KXFXYJCNKVCHPH-LJQANCHMSA-N 1 0 318.424 3.477 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000359049282 286224229 /nfs/dbraw/zinc/22/42/29/286224229.db2.gz DFFIDDVTOVXPQX-OLZOCXBDSA-N 1 0 323.506 3.492 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000359049284 286224248 /nfs/dbraw/zinc/22/42/48/286224248.db2.gz DFFIDDVTOVXPQX-STQMWFEESA-N 1 0 323.506 3.492 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCN1CC=CCC1 ZINC000359060095 286226960 /nfs/dbraw/zinc/22/69/60/286226960.db2.gz BOCMOJZCWHWCIG-IBGZPJMESA-N 1 0 322.456 3.101 10 0 DGAERO COc1cc2c(cc1OC)[C@@H]1C[C@H](O)[C@H](CC(C)C)C[N@@H+]1CC2 ZINC000005759845 286260102 /nfs/dbraw/zinc/26/01/02/286260102.db2.gz WEQLWGNDNRARGE-PVAVHDDUSA-N 1 0 319.445 3.030 10 0 world DGAERO Cn1ccc([C@@H]([NH2+]CC[C@@H]2CCCCO2)c2ccc(F)cc2)n1 ZINC000359242541 286267712 /nfs/dbraw/zinc/26/77/12/286267712.db2.gz QCOZKWBJQYFLDO-WMZOPIPTSA-N 1 0 317.408 3.197 10 0 DGAERO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360008803 286407238 /nfs/dbraw/zinc/40/72/38/286407238.db2.gz ZFBKWDMNIUJQBQ-JKSUJKDBSA-N 1 0 305.466 3.223 10 0 DGAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)CC2 ZINC000159155184 292353350 /nfs/dbraw/zinc/35/33/50/292353350.db2.gz ZFDMKRDDFVOXDH-VQTJNVASSA-N 1 0 322.452 3.271 10 0 DGAERO COc1cccc(CC[NH2+][C@H](C)c2ccc(OC)c(F)c2)n1 ZINC000361931130 286746408 /nfs/dbraw/zinc/74/64/08/286746408.db2.gz TXGTXLAERRHYQE-GFCCVEGCSA-N 1 0 304.365 3.131 10 0 DGAERO c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000364302423 287009630 /nfs/dbraw/zinc/00/96/30/287009630.db2.gz JKFKEDOJNUEEIS-JLJPHGGASA-N 1 0 305.443 3.151 10 0 DGAERO c1ncn(-c2ccc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)cc2)n1 ZINC000364327125 287013211 /nfs/dbraw/zinc/01/32/11/287013211.db2.gz INPHBNSYKSDBRP-UHFFFAOYSA-N 1 0 316.408 3.315 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279663269 287051972 /nfs/dbraw/zinc/05/19/72/287051972.db2.gz DOTVHWHSYQJUMM-QLFBSQMISA-N 1 0 319.449 3.378 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1 ZINC000174198612 164721675 /nfs/dbraw/zinc/72/16/75/164721675.db2.gz WJCRHWXTBMJWHA-CJNGLKHVSA-N 1 0 318.852 3.393 10 0 DGAERO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000177376533 164806546 /nfs/dbraw/zinc/80/65/46/164806546.db2.gz JKYONCJGUWRQTQ-QWHCGFSZSA-N 1 0 301.434 3.327 10 0 DGAERO CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000465363119 287084117 /nfs/dbraw/zinc/08/41/17/287084117.db2.gz INBOLAYNCUEATI-IAGOWNOFSA-N 1 0 309.498 3.329 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2c(C)nn(C)c2C)C12CCCC2 ZINC000181819493 164922156 /nfs/dbraw/zinc/92/21/56/164922156.db2.gz TYRYNROXWKKORT-MORSLUCNSA-N 1 0 319.493 3.295 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCSC2)c2ccc(F)cc2C1 ZINC000184526533 164979915 /nfs/dbraw/zinc/97/99/15/164979915.db2.gz XRDLKBUCKWTZHT-NVXWUHKLSA-N 1 0 322.449 3.104 10 0 DGAERO Cc1cccc2c(NCC3(CO)CCOCC3)c(C)c[nH+]c12 ZINC000185358879 165001758 /nfs/dbraw/zinc/00/17/58/165001758.db2.gz DYAJOFWBJBBYRQ-UHFFFAOYSA-N 1 0 300.402 3.053 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000185367456 165002002 /nfs/dbraw/zinc/00/20/02/165002002.db2.gz PCIQSRUSGWAVTJ-INIZCTEOSA-N 1 0 306.381 3.320 10 0 DGAERO COc1cccc(C2=CC[N@H+](Cc3ccc(CO)cc3)CC2)c1 ZINC000365012125 287086675 /nfs/dbraw/zinc/08/66/75/287086675.db2.gz RLTZSWAQYFGRHC-UHFFFAOYSA-N 1 0 309.409 3.477 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)[C@H]1COc2ccccc21 ZINC000185589599 165008964 /nfs/dbraw/zinc/00/89/64/165008964.db2.gz XGHHELNJSUEFPI-GHJWDPDVSA-N 1 0 319.351 3.153 10 0 DGAERO CN(Cc1ccccc1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000185842617 165019222 /nfs/dbraw/zinc/01/92/22/165019222.db2.gz YARRSRYKQNBVAD-SFHVURJKSA-N 1 0 315.461 3.189 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000186310846 165037140 /nfs/dbraw/zinc/03/71/40/165037140.db2.gz DLVXYZGQBBDOQN-UHFFFAOYSA-N 1 0 307.397 3.077 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1csc(C(C)C)n1)CC2 ZINC000186399449 165041781 /nfs/dbraw/zinc/04/17/81/165041781.db2.gz AMCGYAOAHTVLMD-NEPJUHHUSA-N 1 0 319.478 3.086 10 0 DGAERO O=C(c1ccc(-c2ccccc2)[nH]1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186502357 165046947 /nfs/dbraw/zinc/04/69/47/165046947.db2.gz OGFSFQUURDRACN-OAHLLOKOSA-N 1 0 309.413 3.038 10 0 DGAERO C[C@H]1c2cccn2CCN1CCC(=O)c1ccc(F)cc1F ZINC000186506500 165047063 /nfs/dbraw/zinc/04/70/63/165047063.db2.gz NYSSPXHUCUSXBO-LBPRGKRZSA-N 1 0 304.340 3.416 10 0 DGAERO O=C(c1cncc(-c2ccccc2)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186561257 165050495 /nfs/dbraw/zinc/05/04/95/165050495.db2.gz YTZXCCPGRHZNCM-GOSISDBHSA-N 1 0 321.424 3.105 10 0 DGAERO O=C(CCN1CCC([NH+]2CCCC2)CC1)c1ccc(F)cc1F ZINC000186680140 165054665 /nfs/dbraw/zinc/05/46/65/165054665.db2.gz SYEATILCMSOABT-UHFFFAOYSA-N 1 0 322.399 3.098 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186792329 165059742 /nfs/dbraw/zinc/05/97/42/165059742.db2.gz MCSAQHHLTBABEM-UHFFFAOYSA-N 1 0 321.490 3.275 10 0 DGAERO CSCCCC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186803372 165061893 /nfs/dbraw/zinc/06/18/93/165061893.db2.gz BKYZSVJMJFMJSB-UHFFFAOYSA-N 1 0 300.512 3.291 10 0 DGAERO C[C@H](c1nnc(-c2ccccc2)o1)N(C)CC1([NH+](C)C)CCC1 ZINC000186987992 165070536 /nfs/dbraw/zinc/07/05/36/165070536.db2.gz RGQGKYLWMVFCHZ-CQSZACIVSA-N 1 0 314.433 3.214 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)C1CCSCC1 ZINC000187207018 165081488 /nfs/dbraw/zinc/08/14/88/165081488.db2.gz BWJWZWTZADKEEE-YOEHRIQHSA-N 1 0 318.486 3.303 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc2c1OCC2 ZINC000365053481 287091673 /nfs/dbraw/zinc/09/16/73/287091673.db2.gz KIFNPCCNHOBFHT-GBESFXJTSA-N 1 0 315.457 3.349 10 0 DGAERO CCCc1cccc(C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000187266028 165083124 /nfs/dbraw/zinc/08/31/24/165083124.db2.gz JCPRKIHTYDLRAT-GOSISDBHSA-N 1 0 312.461 3.131 10 0 DGAERO Cc1ccc(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c(C)n1 ZINC000187297269 165085156 /nfs/dbraw/zinc/08/51/56/165085156.db2.gz WSQRYNLUVCUUSG-QGZVFWFLSA-N 1 0 313.449 3.250 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)c1cn(-c2ccccc2)nn1 ZINC000187370197 165089013 /nfs/dbraw/zinc/08/90/13/165089013.db2.gz NXXPPPXPQSPGHP-UONOGXRCSA-N 1 0 316.474 3.450 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)c1cnn(C)c1 ZINC000187702838 165100349 /nfs/dbraw/zinc/10/03/49/165100349.db2.gz WKDFFPDJSZCOHX-APWZRJJASA-N 1 0 312.461 3.125 10 0 DGAERO CSC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000187906776 165105728 /nfs/dbraw/zinc/10/57/28/165105728.db2.gz UTKSCOVZQCTWGL-STQMWFEESA-N 1 0 314.520 3.170 10 0 DGAERO Cc1ccc(-c2ccncc2)cc1NC(=O)c1coc(C[NH3+])c1 ZINC000188153300 165115081 /nfs/dbraw/zinc/11/50/81/165115081.db2.gz LDJNBPWOJAQCAJ-UHFFFAOYSA-N 1 0 307.353 3.361 10 0 DGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188617658 165131027 /nfs/dbraw/zinc/13/10/27/165131027.db2.gz QAGHZFJHKBSLEW-MOPGFXCFSA-N 1 0 312.457 3.220 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCOCC(F)F)c1 ZINC000188679512 165132174 /nfs/dbraw/zinc/13/21/74/165132174.db2.gz DERQPSMKRGXOJG-AWEZNQCLSA-N 1 0 315.360 3.122 10 0 DGAERO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccc3c(c2)C[NH2+]C3)o1 ZINC000188662480 165132222 /nfs/dbraw/zinc/13/22/22/165132222.db2.gz SWVKALJWKRZDTC-CVECVMAHSA-N 1 0 322.408 3.336 10 0 DGAERO O=C(c1ccc(-c2ccccc2F)o1)N1CC[NH+]2CCC1CC2 ZINC000188652689 165132586 /nfs/dbraw/zinc/13/25/86/165132586.db2.gz KVVMQEPULHYCGD-UHFFFAOYSA-N 1 0 314.360 3.006 10 0 DGAERO O=C(/C=C/c1ccc(Cl)s1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188717053 165134106 /nfs/dbraw/zinc/13/41/06/165134106.db2.gz LSCVHJSBUFYACS-GQCTYLIASA-N 1 0 318.829 3.334 10 0 DGAERO CCN(CCCNC(=O)c1c[nH]nc1C(C)C)c1ccccc1 ZINC000188894152 165141119 /nfs/dbraw/zinc/14/11/19/165141119.db2.gz HTJHQFVRGNJCPE-UHFFFAOYSA-N 1 0 314.433 3.180 10 0 DGAERO Cc1nn(C)c2ncc(C[NH2+][C@H]3CCOc4c(C)cccc43)cc12 ZINC000188952273 165142755 /nfs/dbraw/zinc/14/27/55/165142755.db2.gz NHERNLYICDPQCZ-KRWDZBQOSA-N 1 0 322.412 3.199 10 0 DGAERO O=C1[C@@H]([NH2+][C@H]2CCc3ccccc32)CCN1Cc1ccc(F)cc1 ZINC000189046148 165146379 /nfs/dbraw/zinc/14/63/79/165146379.db2.gz KFJGDPXAJZRVRP-OALUTQOASA-N 1 0 324.399 3.204 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(F)nc1 ZINC000189310429 165157444 /nfs/dbraw/zinc/15/74/44/165157444.db2.gz OLIXULRSXPXEPW-MRXNPFEDSA-N 1 0 300.377 3.436 10 0 DGAERO Cn1cc(-c2cc(C[N@H+](C)CC3(c4ccccc4)CC3)on2)cn1 ZINC000189313748 165157636 /nfs/dbraw/zinc/15/76/36/165157636.db2.gz BXYKOXLDGIAGJK-UHFFFAOYSA-N 1 0 322.412 3.239 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2F)C[C@@H]1O ZINC000189354519 165158196 /nfs/dbraw/zinc/15/81/96/165158196.db2.gz LJTJQVUULAIIRM-SJORKVTESA-N 1 0 300.377 3.137 10 0 DGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000189370404 165159248 /nfs/dbraw/zinc/15/92/48/165159248.db2.gz HYFBVMYTEDXHPO-GOEBONIOSA-N 1 0 304.434 3.055 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(F)nc1)c1ccccc1 ZINC000189443427 165162945 /nfs/dbraw/zinc/16/29/45/165162945.db2.gz HKPUVAWMYUTFKQ-IAGOWNOFSA-N 1 0 300.377 3.309 10 0 DGAERO Cc1cccc2nc(C3CC[NH+](C[C@@H]4CCCO4)CC3)oc21 ZINC000189797949 165176519 /nfs/dbraw/zinc/17/65/19/165176519.db2.gz NOEUTNKKZNKVKF-HNNXBMFYSA-N 1 0 300.402 3.495 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000190020575 165186475 /nfs/dbraw/zinc/18/64/75/165186475.db2.gz JWQGVYHMYAVYGP-CQSZACIVSA-N 1 0 321.465 3.176 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCSCc3ccccc3)[C@@H]2C1 ZINC000190056460 165188003 /nfs/dbraw/zinc/18/80/03/165188003.db2.gz LJMRWSWDXKMKEE-KURKYZTESA-N 1 0 321.486 3.188 10 0 DGAERO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H](O)CC1CCCC1 ZINC000190317333 165197255 /nfs/dbraw/zinc/19/72/55/165197255.db2.gz BWHZWLRESBMINB-LJQANCHMSA-N 1 0 313.445 3.245 10 0 DGAERO Cc1cc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)ccc1F ZINC000190291758 165197421 /nfs/dbraw/zinc/19/74/21/165197421.db2.gz FSQCSIKRDQHKEW-CVEARBPZSA-N 1 0 305.418 3.404 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1cccc(-n2cccn2)c1 ZINC000191054262 165227261 /nfs/dbraw/zinc/22/72/61/165227261.db2.gz RDZMGNBDHBVEDH-HNAYVOBHSA-N 1 0 313.445 3.464 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cccc(-n2ccnc2)c1 ZINC000191078156 165229868 /nfs/dbraw/zinc/22/98/68/165229868.db2.gz STACRJUOXXLBQZ-BEFAXECRSA-N 1 0 313.445 3.464 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191172992 165233383 /nfs/dbraw/zinc/23/33/83/165233383.db2.gz XGNPNIROJJOTIO-GOSISDBHSA-N 1 0 301.434 3.149 10 0 DGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191321425 165243897 /nfs/dbraw/zinc/24/38/97/165243897.db2.gz DMPZWGZQXXLHGU-FQEVSTJZSA-N 1 0 322.452 3.353 10 0 DGAERO CCCC1CCC([N@H+](C)Cc2csc(CC(=O)NC)n2)CC1 ZINC000191423582 165248802 /nfs/dbraw/zinc/24/88/02/165248802.db2.gz DINDHVUKNDQZNL-UHFFFAOYSA-N 1 0 323.506 3.222 10 0 DGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191620878 165262296 /nfs/dbraw/zinc/26/22/96/165262296.db2.gz XABQASFYCMLSMJ-MRXNPFEDSA-N 1 0 315.461 3.047 10 0 DGAERO CCC[NH+]1CCC(N(C)c2ncnc3c(C)csc32)CC1 ZINC000192547897 165296609 /nfs/dbraw/zinc/29/66/09/165296609.db2.gz FPXDFSWJPAZGDL-UHFFFAOYSA-N 1 0 304.463 3.310 10 0 DGAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000192708799 165303846 /nfs/dbraw/zinc/30/38/46/165303846.db2.gz XIRXCNCABGDLED-NRMGUKERSA-N 1 0 321.424 3.270 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193328396 165322279 /nfs/dbraw/zinc/32/22/79/165322279.db2.gz DRSPXPSQPVYDLP-CQSZACIVSA-N 1 0 312.413 3.309 10 0 DGAERO C[C@H](CC[NH2+][C@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000194621867 165350895 /nfs/dbraw/zinc/35/08/95/165350895.db2.gz AGWBIAZAQFAYSF-APWZRJJASA-N 1 0 323.440 3.360 10 0 DGAERO Cc1nc(Cl)ccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000194689462 165352069 /nfs/dbraw/zinc/35/20/69/165352069.db2.gz XTBOLBUODFRXRU-UHFFFAOYSA-N 1 0 322.840 3.136 10 0 DGAERO Cc1csc([C@H]2CCCN(Cc3nc(C4CC4)no3)C2)n1 ZINC000195323646 165365043 /nfs/dbraw/zinc/36/50/43/165365043.db2.gz GMACHKYWIBBRJQ-LBPRGKRZSA-N 1 0 304.419 3.092 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](CC(=O)N3CCCCCC3)C2)n1 ZINC000195335982 165365108 /nfs/dbraw/zinc/36/51/08/165365108.db2.gz BFDDVYFFSYZMEO-OAHLLOKOSA-N 1 0 321.490 3.034 10 0 DGAERO Cc1csc([C@@H]2CN(CCOc3cccc(F)c3)CCO2)n1 ZINC000195385088 165369340 /nfs/dbraw/zinc/36/93/40/165369340.db2.gz UZUMCNZZSFPASU-HNNXBMFYSA-N 1 0 322.405 3.043 10 0 DGAERO CCc1csc([C@H]2CCCN(CC(=O)N[C@@H](C)C(C)C)C2)n1 ZINC000195380661 165369500 /nfs/dbraw/zinc/36/95/00/165369500.db2.gz YZRLCTQOJKZCJG-KBPBESRZSA-N 1 0 323.506 3.046 10 0 DGAERO CC[C@@H](c1ccccc1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509362 165372420 /nfs/dbraw/zinc/37/24/20/165372420.db2.gz IIEMPDFVDCLLDD-SFHVURJKSA-N 1 0 313.445 3.206 10 0 DGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(C)sc2C)C1 ZINC000195520309 165373617 /nfs/dbraw/zinc/37/36/17/165373617.db2.gz XIIORZAAKIBJHH-CQSZACIVSA-N 1 0 304.463 3.356 10 0 DGAERO CC[C@]1(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCC[NH2+]1 ZINC000215318743 165376701 /nfs/dbraw/zinc/37/67/01/165376701.db2.gz GWBHASBZSLKYFU-OAHLLOKOSA-N 1 0 315.244 3.484 10 0 DGAERO C[C@H]1CN(Cc2cc(Br)c(Cl)s2)[C@@H](C)C[NH2+]1 ZINC000227909347 165388579 /nfs/dbraw/zinc/38/85/79/165388579.db2.gz IYYMHKMNDYAPAM-YUMQZZPRSA-N 1 0 323.687 3.346 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000245526431 165463663 /nfs/dbraw/zinc/46/36/63/165463663.db2.gz PFIPGPWKFRWHES-FRRDWIJNSA-N 1 0 310.388 3.405 10 0 DGAERO COc1cccc2c1CC[N@H+](Cc1ccc(Cl)cn1)CC2 ZINC000365359596 287124756 /nfs/dbraw/zinc/12/47/56/287124756.db2.gz SMUIMLOEYAOEOT-UHFFFAOYSA-N 1 0 302.805 3.344 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000253353245 165705033 /nfs/dbraw/zinc/70/50/33/165705033.db2.gz SKIRZRUINVYWEQ-COXVUDFISA-N 1 0 304.409 3.095 10 0 DGAERO CC1(C)CN(C(=O)c2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000261591848 165720310 /nfs/dbraw/zinc/72/03/10/165720310.db2.gz MCQZRLQRMJNSEC-LBPRGKRZSA-N 1 0 301.217 3.193 10 0 DGAERO Cc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c(Cl)cc1F ZINC000261882832 165759259 /nfs/dbraw/zinc/75/92/59/165759259.db2.gz UHZGWSDJHBYIEM-UHFFFAOYSA-N 1 0 310.800 3.003 10 0 DGAERO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000261909420 165762500 /nfs/dbraw/zinc/76/25/00/165762500.db2.gz XKPBLFYDNSHWME-BFHYXJOUSA-N 1 0 324.852 3.002 10 0 DGAERO Cc1ccc(SCCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261940410 165767632 /nfs/dbraw/zinc/76/76/32/165767632.db2.gz JIOHNZFVJRYBGX-INIZCTEOSA-N 1 0 320.502 3.371 10 0 DGAERO CCN(Cc1ncc(C(F)(F)F)s1)[C@@H]1CCC[NH2+]CC1 ZINC000261992515 165774858 /nfs/dbraw/zinc/77/48/58/165774858.db2.gz SNSGPFWBZFZUJE-SNVBAGLBSA-N 1 0 307.385 3.126 10 0 DGAERO C[C@@H](C[NH3+])C(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000262261485 165795197 /nfs/dbraw/zinc/79/51/97/165795197.db2.gz ULRILOACROWJQB-HNNXBMFYSA-N 1 0 324.424 3.140 10 0 DGAERO CCc1oc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1C ZINC000262460691 165804090 /nfs/dbraw/zinc/80/40/90/165804090.db2.gz MGWNMPHLNSBEEE-UHFFFAOYSA-N 1 0 300.402 3.142 10 0 DGAERO C[C@H](C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000262622711 165814234 /nfs/dbraw/zinc/81/42/34/165814234.db2.gz ZTBVQSSRSIKHHT-VIFPVBQESA-N 1 0 315.244 3.200 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(-c2ccncc2)cc1 ZINC000262674225 165814605 /nfs/dbraw/zinc/81/46/05/165814605.db2.gz QNSMUASLCNIMNT-KKXDTOCCSA-N 1 0 309.413 3.053 10 0 DGAERO Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](C)CS(C)(=O)=O)o1 ZINC000365981274 287195161 /nfs/dbraw/zinc/19/51/61/287195161.db2.gz VSMYZGSTSDPFMU-ZFWWWQNUSA-N 1 0 313.463 3.186 10 0 DGAERO c1nn2ccccc2c1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000366027324 287202057 /nfs/dbraw/zinc/20/20/57/287202057.db2.gz FHTZMQCWUMFOCM-QGZVFWFLSA-N 1 0 320.440 3.341 10 0 DGAERO COc1ccc(F)cc1C[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000366024072 287201239 /nfs/dbraw/zinc/20/12/39/287201239.db2.gz RFMMZSLGIDSHBS-LBPRGKRZSA-N 1 0 314.360 3.050 10 0 DGAERO CCOC(=O)CCC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000128915447 196003752 /nfs/dbraw/zinc/00/37/52/196003752.db2.gz XQBIMCZTKSWLCY-UHFFFAOYSA-N 1 0 308.397 3.045 10 0 DGAERO CO[C@H](C)c1nc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cs1 ZINC000129007437 196011519 /nfs/dbraw/zinc/01/15/19/196011519.db2.gz DQVGBSYHNXYKJC-YUELXQCFSA-N 1 0 320.462 3.321 10 0 DGAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)C1 ZINC000129257861 196033275 /nfs/dbraw/zinc/03/32/75/196033275.db2.gz LRGVUDZGHVBERY-UONOGXRCSA-N 1 0 324.350 3.478 10 0 DGAERO CC(C)(C)C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000181936345 432150467 /nfs/dbraw/zinc/15/04/67/432150467.db2.gz JLBVJNBCNXBEBD-CVEARBPZSA-N 1 0 316.424 3.499 10 0 DGAERO CCc1cnccc1C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000136690865 432159986 /nfs/dbraw/zinc/15/99/86/432159986.db2.gz RHSFTHUZJIDOGX-INIZCTEOSA-N 1 0 315.417 3.050 10 0 DGAERO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246742373 432161281 /nfs/dbraw/zinc/16/12/81/432161281.db2.gz GGSFVECKBZQPQM-SZMVWBNQSA-N 1 0 302.462 3.367 10 0 DGAERO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246744641 432161640 /nfs/dbraw/zinc/16/16/40/432161640.db2.gz ASEWKNDWAVBNMC-LSDHHAIUSA-N 1 0 319.449 3.340 10 0 DGAERO Fc1ccc(OCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171646892 432155530 /nfs/dbraw/zinc/15/55/30/432155530.db2.gz IAPSVXLLDVTMKF-HNNXBMFYSA-N 1 0 315.392 3.034 10 0 DGAERO COc1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000171650497 432156261 /nfs/dbraw/zinc/15/62/61/432156261.db2.gz RSXLBHDVTLOLSD-MRXNPFEDSA-N 1 0 317.433 3.177 10 0 DGAERO CSC[C@H](CCO)[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182094385 432158785 /nfs/dbraw/zinc/15/87/85/432158785.db2.gz UWCHBCQVIGSEDQ-SWLSCSKDSA-N 1 0 303.418 3.366 10 0 DGAERO Cc1cnc(CC[N@H+](C)CCCCC(=O)OC(C)(C)C)s1 ZINC000182253981 432171255 /nfs/dbraw/zinc/17/12/55/432171255.db2.gz LYXWVVPOGZLVGP-UHFFFAOYSA-N 1 0 312.479 3.438 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(OC(F)F)c(F)c1)[NH+](C)C ZINC000136802005 432164248 /nfs/dbraw/zinc/16/42/48/432164248.db2.gz SKDUBIITANZGNF-NSHDSACASA-N 1 0 304.312 3.096 10 0 DGAERO FC(F)(F)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000246774059 432165444 /nfs/dbraw/zinc/16/54/44/432165444.db2.gz IELLFDWHYZKQPC-ZIAGYGMSSA-N 1 0 317.376 3.412 10 0 DGAERO COCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246802721 432166879 /nfs/dbraw/zinc/16/68/79/432166879.db2.gz SVFUIVRONYPDLY-GJZGRUSLSA-N 1 0 317.351 3.240 10 0 DGAERO CC[C@@H]([NH2+]Cc1nc(-c2cccc(C)c2)no1)[C@H]1CCCO1 ZINC000182309307 432177294 /nfs/dbraw/zinc/17/72/94/432177294.db2.gz ZWPCWVZMSYQFJZ-HUUCEWRRSA-N 1 0 301.390 3.092 10 0 DGAERO CCn1cc(C[NH2+]C(CC)(CC)CNC(=O)OC(C)(C)C)cn1 ZINC000171835490 432177428 /nfs/dbraw/zinc/17/74/28/432177428.db2.gz FXVBLDIEOOQDPD-UHFFFAOYSA-N 1 0 324.469 3.076 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)N(C3CC3)C1)CCCO2 ZINC000246898287 432178356 /nfs/dbraw/zinc/17/83/56/432178356.db2.gz FCNSGVYVXAWLLI-IIDMSEBBSA-N 1 0 300.446 3.424 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000137618548 432178667 /nfs/dbraw/zinc/17/86/67/432178667.db2.gz IYRCIDVSBANPBW-IYBDPMFKSA-N 1 0 304.434 3.131 10 0 DGAERO Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)c3ccccc3)C2)n1 ZINC000182329447 432178871 /nfs/dbraw/zinc/17/88/71/432178871.db2.gz NLYQCJUKFPUWJU-KRWDZBQOSA-N 1 0 323.440 3.397 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2F)C1 ZINC000246908009 432180179 /nfs/dbraw/zinc/18/01/79/432180179.db2.gz XXMQOWOGEDDXBZ-IIYDPXPESA-N 1 0 324.415 3.303 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182340134 432181132 /nfs/dbraw/zinc/18/11/32/432181132.db2.gz DLLCHMWTKIIKSR-GOSISDBHSA-N 1 0 318.436 3.440 10 0 DGAERO CC(C)(C)[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171901326 432182544 /nfs/dbraw/zinc/18/25/44/432182544.db2.gz UULOVKNHNUXLGQ-SJORKVTESA-N 1 0 315.461 3.263 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000246849551 432172857 /nfs/dbraw/zinc/17/28/57/432172857.db2.gz CFWHTGCMHBFJPM-CVEARBPZSA-N 1 0 311.429 3.175 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1F ZINC000246844877 432173117 /nfs/dbraw/zinc/17/31/17/432173117.db2.gz BTBPBHQUYQQIKS-STQMWFEESA-N 1 0 310.800 3.178 10 0 DGAERO CCCOc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246860811 432174871 /nfs/dbraw/zinc/17/48/71/432174871.db2.gz SMEWSCXGTHLGTA-HOCLYGCPSA-N 1 0 319.449 3.422 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc(F)ccc2o1 ZINC000246944969 432183398 /nfs/dbraw/zinc/18/33/98/432183398.db2.gz LBSAFNAHZDKXTQ-CABCVRRESA-N 1 0 316.376 3.271 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1sccc1Br ZINC000247026766 432192597 /nfs/dbraw/zinc/19/25/97/432192597.db2.gz GFVGIKZRUABCES-QWRGUYRKSA-N 1 0 315.280 3.179 10 0 DGAERO CS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000246964327 432184707 /nfs/dbraw/zinc/18/47/07/432184707.db2.gz VBYVGIZUACWLER-YQQAZPJKSA-N 1 0 320.502 3.470 10 0 DGAERO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000246988759 432188384 /nfs/dbraw/zinc/18/83/84/432188384.db2.gz LHXQVSMEKIIJTO-UKRRQHHQSA-N 1 0 307.415 3.056 10 0 DGAERO COc1ccc([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c(OC)c1 ZINC000246983836 432189096 /nfs/dbraw/zinc/18/90/96/432189096.db2.gz JTZWVYXHJUYDFW-JKIFEVAISA-N 1 0 306.450 3.083 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000247020000 432191468 /nfs/dbraw/zinc/19/14/68/432191468.db2.gz MUYFXGYDRMRXJR-ZIAGYGMSSA-N 1 0 321.465 3.035 10 0 DGAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000247026551 432191688 /nfs/dbraw/zinc/19/16/88/432191688.db2.gz QVZCKZKBHYFDBV-IEBWSBKVSA-N 1 0 314.473 3.342 10 0 DGAERO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccccc1 ZINC000190899159 432199030 /nfs/dbraw/zinc/19/90/30/432199030.db2.gz WAEJIYFZJHREND-FHLIZLRMSA-N 1 0 319.445 3.068 10 0 DGAERO CC1(C)[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H]2CCCO[C@H]21 ZINC000247067648 432199064 /nfs/dbraw/zinc/19/90/64/432199064.db2.gz MWMPYKAPBYQGNS-GUDVDZBRSA-N 1 0 314.473 3.449 10 0 DGAERO COC(=O)[C@H](C)[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccccc1 ZINC000190899128 432199352 /nfs/dbraw/zinc/19/93/52/432199352.db2.gz WAEJIYFZJHREND-JLSDUUJJSA-N 1 0 319.445 3.068 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000247034593 432193798 /nfs/dbraw/zinc/19/37/98/432193798.db2.gz YNYKDKGMSBRHFO-DLBZAZTESA-N 1 0 304.365 3.210 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)cc2F)C1 ZINC000247032159 432193917 /nfs/dbraw/zinc/19/39/17/432193917.db2.gz ZVFMVHVMTZHVCT-NHYWBVRUSA-N 1 0 310.800 3.035 10 0 DGAERO COc1cccc([C@H](C)CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000247087579 432200069 /nfs/dbraw/zinc/20/00/69/432200069.db2.gz JKHDTTWAGAOBFC-RVKKMQEKSA-N 1 0 318.461 3.034 10 0 DGAERO c1cc(-c2nc(CN3CC[N@@H+]4CCC[C@H]4C3)cs2)cs1 ZINC000247043139 432195314 /nfs/dbraw/zinc/19/53/14/432195314.db2.gz DXHYMRCFXJBEIM-AWEZNQCLSA-N 1 0 305.472 3.152 10 0 DGAERO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000172114709 432197999 /nfs/dbraw/zinc/19/79/99/432197999.db2.gz XBIWEZVAMHCMOE-INIZCTEOSA-N 1 0 319.449 3.247 10 0 DGAERO COC(=O)c1coc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000130725181 196103928 /nfs/dbraw/zinc/10/39/28/196103928.db2.gz VKZRIGFYIHOXCL-GHMZBOCLSA-N 1 0 305.296 3.277 10 0 DGAERO CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccs2)cc1 ZINC000182551212 432203410 /nfs/dbraw/zinc/20/34/10/432203410.db2.gz QZLPAIXSSAQDFN-UONOGXRCSA-N 1 0 321.442 3.237 10 0 DGAERO Cc1cccc2[nH]cc(CC[NH2+]Cc3c(Cl)cnn3C)c21 ZINC000131147576 196143988 /nfs/dbraw/zinc/14/39/88/196143988.db2.gz YIUGTMMWZOZYKK-UHFFFAOYSA-N 1 0 302.809 3.196 10 0 DGAERO CCc1cc(C)c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)o1 ZINC000131200515 196149704 /nfs/dbraw/zinc/14/97/04/196149704.db2.gz XVRJBRPISNCTMP-ZDUSSCGKSA-N 1 0 306.431 3.245 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H]1C ZINC000247182244 432209239 /nfs/dbraw/zinc/20/92/39/432209239.db2.gz ZFOXVJSKKCWKPI-GIPNMCIBSA-N 1 0 311.223 3.164 10 0 DGAERO C[C@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CCS1 ZINC000131326305 196160529 /nfs/dbraw/zinc/16/05/29/196160529.db2.gz XSLNOVBZIFYLRI-LBPRGKRZSA-N 1 0 307.850 3.463 10 0 DGAERO CCOC(=O)C1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000182622847 432211418 /nfs/dbraw/zinc/21/14/18/432211418.db2.gz HOWQSEMTNKGIAV-UYSNPLJNSA-N 1 0 309.450 3.190 10 0 DGAERO CCn1nc(C)c([C@H](C)[NH2+]CCN(C)Cc2ccccc2)c1C ZINC000151035427 432212257 /nfs/dbraw/zinc/21/22/57/432212257.db2.gz FHWPUDMUNDHOGQ-HNNXBMFYSA-N 1 0 314.477 3.302 10 0 DGAERO Cc1cnn(-c2cc[nH+]cc2NCc2ccc3c[nH]nc3c2)c1 ZINC000182671061 432215347 /nfs/dbraw/zinc/21/53/47/432215347.db2.gz HDGYBJDSEPWABO-UHFFFAOYSA-N 1 0 304.357 3.064 10 0 DGAERO COC[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000191061145 432215560 /nfs/dbraw/zinc/21/55/60/432215560.db2.gz CJRWMQPTCZFIOR-YOEHRIQHSA-N 1 0 313.388 3.183 10 0 DGAERO c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)n[nH]1 ZINC000190939361 432204025 /nfs/dbraw/zinc/20/40/25/432204025.db2.gz UEJXFNZDGMCOOO-CVEARBPZSA-N 1 0 303.450 3.471 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000247249797 432215789 /nfs/dbraw/zinc/21/57/89/432215789.db2.gz YVCIBLSBHQFFDG-HUUCEWRRSA-N 1 0 321.490 3.032 10 0 DGAERO CCc1cnccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000182561898 432204328 /nfs/dbraw/zinc/20/43/28/432204328.db2.gz ONRNUTXSHQHLJW-UHFFFAOYSA-N 1 0 315.461 3.171 10 0 DGAERO Cc1ccc2[nH]c(C(=O)N3CCC[N@@H+](C4CC4)CC3)cc2c1C ZINC000172284701 432206269 /nfs/dbraw/zinc/20/62/69/432206269.db2.gz SIFWFPGFWFSXTL-UHFFFAOYSA-N 1 0 311.429 3.095 10 0 DGAERO CC[C@H]1CN(CCCc2ccc(Cl)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247134858 432206310 /nfs/dbraw/zinc/20/63/10/432206310.db2.gz XMHTZDKJMNLRDK-YJBOKZPZSA-N 1 0 324.896 3.050 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000247429623 432228562 /nfs/dbraw/zinc/22/85/62/432228562.db2.gz OOGSHSBMYJQQLD-XJKSGUPXSA-N 1 0 308.853 3.071 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccccc2F)[C@@H](C)C1 ZINC000247370969 432226006 /nfs/dbraw/zinc/22/60/06/432226006.db2.gz KTZHZQFGAZZBHJ-VKJFTORMSA-N 1 0 320.452 3.193 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000247391938 432227609 /nfs/dbraw/zinc/22/76/09/432227609.db2.gz QMQRJCNYKFVNRW-SMDDNHRTSA-N 1 0 314.351 3.164 10 0 DGAERO C[C@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1nccn1C ZINC000182677896 432216709 /nfs/dbraw/zinc/21/67/09/432216709.db2.gz HJSFILWISUJUIF-FUHWJXTLSA-N 1 0 312.461 3.125 10 0 DGAERO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000191067218 432218240 /nfs/dbraw/zinc/21/82/40/432218240.db2.gz JLAFUBLPHLDFRW-NVXWUHKLSA-N 1 0 300.450 3.345 10 0 DGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000182696834 432219104 /nfs/dbraw/zinc/21/91/04/432219104.db2.gz UJJWSQQXXKCWPK-QGZVFWFLSA-N 1 0 306.425 3.091 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000247288339 432219364 /nfs/dbraw/zinc/21/93/64/432219364.db2.gz GRLHHTJQDCRUEY-QAPCUYQASA-N 1 0 315.461 3.047 10 0 DGAERO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2cccs2)cc1 ZINC000172603926 432222736 /nfs/dbraw/zinc/22/27/36/432222736.db2.gz WKTQDTAEPKFHOD-KGLIPLIRSA-N 1 0 302.443 3.412 10 0 DGAERO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000172603919 432223663 /nfs/dbraw/zinc/22/36/63/432223663.db2.gz WKTQDTAEPKFHOD-KBPBESRZSA-N 1 0 302.443 3.412 10 0 DGAERO CN(Cc1ccc(F)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000172612842 432224300 /nfs/dbraw/zinc/22/43/00/432224300.db2.gz YABYXAGWXCKVKJ-UHFFFAOYSA-N 1 0 300.377 3.160 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)CO)cc1Br ZINC000131698519 196191793 /nfs/dbraw/zinc/19/17/93/196191793.db2.gz LZMKDSHFBBXUBH-DCAQKATOSA-N 1 0 316.239 3.125 10 0 DGAERO [NH3+]C1CCC(NC(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000131809763 196200793 /nfs/dbraw/zinc/20/07/93/196200793.db2.gz OMMKNDFQMORJCG-UHFFFAOYSA-N 1 0 308.425 3.277 10 0 DGAERO Cc1cccc2c(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c[nH]c21 ZINC000132019007 196219977 /nfs/dbraw/zinc/21/99/77/196219977.db2.gz OASYYKHNKAWBRT-INIZCTEOSA-N 1 0 315.461 3.111 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1c(C)cccc1Cl ZINC000132678949 196274811 /nfs/dbraw/zinc/27/48/11/196274811.db2.gz YEAZLGWSRLISKV-AWEZNQCLSA-N 1 0 323.868 3.003 10 0 DGAERO CCOC(=O)CCCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000132792985 196283895 /nfs/dbraw/zinc/28/38/95/196283895.db2.gz ZGFISZZSHMEBPG-HNNXBMFYSA-N 1 0 319.401 3.286 10 0 DGAERO CN1C[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CCC1=O ZINC000132997075 196303048 /nfs/dbraw/zinc/30/30/48/196303048.db2.gz AYCOWJKREXIQIY-OALUTQOASA-N 1 0 308.425 3.181 10 0 DGAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000133002719 196303812 /nfs/dbraw/zinc/30/38/12/196303812.db2.gz XGRHRPNVXHWPDG-OLZOCXBDSA-N 1 0 300.402 3.267 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000133058616 196308769 /nfs/dbraw/zinc/30/87/69/196308769.db2.gz BYAHSGQFHSSHBY-QFBILLFUSA-N 1 0 312.461 3.066 10 0 DGAERO CC[N@H+](CC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1)C1CC1 ZINC000133112950 196312725 /nfs/dbraw/zinc/31/27/25/196312725.db2.gz YOLZHGDFILIXFY-OAHLLOKOSA-N 1 0 323.440 3.410 10 0 DGAERO O=C(c1ccc(Cl)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000134144422 196365440 /nfs/dbraw/zinc/36/54/40/196365440.db2.gz BZZOZXLDVLWARR-UHFFFAOYSA-N 1 0 310.800 3.180 10 0 DGAERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C)cc1C)c1nccs1 ZINC000134237763 196372544 /nfs/dbraw/zinc/37/25/44/196372544.db2.gz XLOWKIZBCBBCAQ-HUUCEWRRSA-N 1 0 320.458 3.241 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)[NH+](C)C ZINC000134356673 196381736 /nfs/dbraw/zinc/38/17/36/196381736.db2.gz BMYJXUMBQXFRJP-MRXNPFEDSA-N 1 0 314.433 3.120 10 0 DGAERO C[C@@]1(CNC(=O)c2cccc(O)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000154849531 227105076 /nfs/dbraw/zinc/10/50/76/227105076.db2.gz VCDLHLQQQFXKDN-FQEVSTJZSA-N 1 0 324.424 3.177 10 0 DGAERO c1csc(CC[NH+]2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000291114220 222147607 /nfs/dbraw/zinc/14/76/07/222147607.db2.gz TXDLNULTBLOIFK-RTBURBONSA-N 1 0 312.482 3.464 10 0 DGAERO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000172171556 228274670 /nfs/dbraw/zinc/27/46/70/228274670.db2.gz VWKBFOOMRAAWSN-SOUVJXGZSA-N 1 0 318.461 3.429 10 0 DGAERO C[C@@H]1CC(NC(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H](C)C1 ZINC000178676297 228345348 /nfs/dbraw/zinc/34/53/48/228345348.db2.gz RFXKRYQRXCBKRK-FXQLRMTLSA-N 1 0 309.498 3.231 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@]1(CCO)CCOC1)CCS2 ZINC000187306822 228427921 /nfs/dbraw/zinc/42/79/21/228427921.db2.gz LANBERGDBKEWKT-SJLPKXTDSA-N 1 0 321.486 3.219 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)CCS2 ZINC000187306800 228428124 /nfs/dbraw/zinc/42/81/24/228428124.db2.gz LANBERGDBKEWKT-FUHWJXTLSA-N 1 0 321.486 3.219 10 0 DGAERO C[C@H]1CN(c2ccc(C[NH2+]CCC(C)(C)C)cn2)C[C@H](C)O1 ZINC000187670598 228437080 /nfs/dbraw/zinc/43/70/80/228437080.db2.gz XQXKIGFEUTZIJT-GJZGRUSLSA-N 1 0 305.466 3.221 10 0 DGAERO C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(F)c1 ZINC000130555691 292636298 /nfs/dbraw/zinc/63/62/98/292636298.db2.gz MDFUIFMJBPPRQP-CBCUQQMYSA-N 1 0 306.425 3.166 10 0 DGAERO Cc1cc(NC[C@H](c2cccs2)N2CCO[C@H](C)C2)cc[nH+]1 ZINC000302212339 230167072 /nfs/dbraw/zinc/16/70/72/230167072.db2.gz DUDRQYIICRCERY-GDBMZVCRSA-N 1 0 317.458 3.325 10 0 DGAERO c1c(C2CCCC2)nc2sc(NCC[NH+]3CCCCC3)nn12 ZINC000302398204 230232049 /nfs/dbraw/zinc/23/20/49/230232049.db2.gz DKYCGTJHMSONMV-UHFFFAOYSA-N 1 0 319.478 3.346 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCC2(C[NH+](C)C)CCCC2)o1 ZINC000185474958 263636854 /nfs/dbraw/zinc/63/68/54/263636854.db2.gz WZGWICFYQPBSJH-CQSZACIVSA-N 1 0 307.438 3.070 10 0 DGAERO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@]1(CCO)CCOC1 ZINC000186195978 263651006 /nfs/dbraw/zinc/65/10/06/263651006.db2.gz QUBHMNDEPGZIJT-MJGOQNOKSA-N 1 0 303.446 3.060 10 0 DGAERO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1OC(F)F ZINC000188318882 263692558 /nfs/dbraw/zinc/69/25/58/263692558.db2.gz WOKGQDCXOZYNIB-NHYWBVRUSA-N 1 0 315.360 3.153 10 0 DGAERO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cnc(CC(C)C)s2)cc1 ZINC000188981029 263707196 /nfs/dbraw/zinc/70/71/96/263707196.db2.gz NPUXORWYMWMLLO-INIZCTEOSA-N 1 0 318.486 3.343 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)CN1Cc1ccccc1 ZINC000189726274 263725085 /nfs/dbraw/zinc/72/50/85/263725085.db2.gz AVVFBMIHOWGIEW-NXHRZFHOSA-N 1 0 302.462 3.197 10 0 DGAERO COCCCOc1cccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000189725088 263725964 /nfs/dbraw/zinc/72/59/64/263725964.db2.gz LSFGQRSOELMTJP-KRWDZBQOSA-N 1 0 307.434 3.149 10 0 DGAERO Cc1nnc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)n1C1CC1 ZINC000191886396 263767558 /nfs/dbraw/zinc/76/75/58/263767558.db2.gz QXYXJBSQFMSLMO-SJLPKXTDSA-N 1 0 310.445 3.422 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]C[C@@H]2CCC=CO2)CCCC1 ZINC000194448718 263814645 /nfs/dbraw/zinc/81/46/45/263814645.db2.gz FJLRSUQGMCIWEA-AWEZNQCLSA-N 1 0 310.438 3.106 10 0 DGAERO c1[nH]c(C[NH2+]C[C@@H]2COc3ccccc3O2)nc1-c1ccccc1 ZINC000346349956 264015730 /nfs/dbraw/zinc/01/57/30/264015730.db2.gz RHGWRURHIYSACU-OAHLLOKOSA-N 1 0 321.380 3.006 10 0 DGAERO c1nc2c(n1[C@H]1CCN(Cc3nc4ccccc4[nH]3)C1)CCCC2 ZINC000347277914 264189153 /nfs/dbraw/zinc/18/91/53/264189153.db2.gz CUAZTXMRPFTTEC-AWEZNQCLSA-N 1 0 321.428 3.085 10 0 DGAERO c1nn(-c2ccccc2)c2c1C[N@H+](CC[C@@H]1CCCCO1)CC2 ZINC000347397459 264214459 /nfs/dbraw/zinc/21/44/59/264214459.db2.gz YPQXQJOPYXRREW-SFHVURJKSA-N 1 0 311.429 3.190 10 0 DGAERO c1ccc(CC[N@@H+](CC[C@@H]2CCCCO2)[C@H]2CCOC2)cc1 ZINC000347458265 264223788 /nfs/dbraw/zinc/22/37/88/264223788.db2.gz FKZAORZXMRURGM-OALUTQOASA-N 1 0 303.446 3.279 10 0 DGAERO c1nc2c(n1-c1ccccc1)CC[N@@H+](CC[C@H]1CCCCO1)C2 ZINC000347800402 264287540 /nfs/dbraw/zinc/28/75/40/264287540.db2.gz LVKZQSRKEYSLHA-QGZVFWFLSA-N 1 0 311.429 3.190 10 0 DGAERO C[N@@H+](Cc1cscc1Br)C[C@@H]1CCCC[C@@H]1O ZINC000348124966 264346916 /nfs/dbraw/zinc/34/69/16/264346916.db2.gz XJCVLAREZQLZJD-GWCFXTLKSA-N 1 0 318.280 3.494 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+](C)CCOCCO ZINC000348286368 264382806 /nfs/dbraw/zinc/38/28/06/264382806.db2.gz ZOPVZCSYDYXXKM-RAXLEYEMSA-N 1 0 317.351 3.049 10 0 DGAERO O[C@H](CC[NH2+]Cc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000349310643 264508181 /nfs/dbraw/zinc/50/81/81/264508181.db2.gz BDZJDYIYMRUMRU-SNVBAGLBSA-N 1 0 301.230 3.108 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000352892398 265216969 /nfs/dbraw/zinc/21/69/69/265216969.db2.gz KNNYWPPVJOBRPA-CYBMUJFWSA-N 1 0 304.203 3.085 10 0 DGAERO c1nn2ccccc2c1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000353040596 265275954 /nfs/dbraw/zinc/27/59/54/265275954.db2.gz UUDYPTPUWVNZSO-UHFFFAOYSA-N 1 0 307.397 3.413 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc2c1COC2 ZINC000353273652 265370721 /nfs/dbraw/zinc/37/07/21/265370721.db2.gz HONKDNLLMZEJNN-NZSAHSFTSA-N 1 0 301.430 3.402 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc21 ZINC000247444884 432230215 /nfs/dbraw/zinc/23/02/15/432230215.db2.gz PSQYSSMDHSNVTJ-SJKOYZFVSA-N 1 0 317.408 3.028 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]Cc1c(C)nn(C)c1C)C(C)C ZINC000151205817 432229848 /nfs/dbraw/zinc/22/98/48/432229848.db2.gz QUEXCNDEEBRWJC-SFHVURJKSA-N 1 0 315.461 3.402 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000247446979 432229945 /nfs/dbraw/zinc/22/99/45/432229945.db2.gz YLWNNFJPXVRVGP-ARFHVFGLSA-N 1 0 310.482 3.009 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247431117 432229981 /nfs/dbraw/zinc/22/99/81/432229981.db2.gz OSTNDNPLROQWAJ-SWLSCSKDSA-N 1 0 324.852 3.151 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC000247440172 432230683 /nfs/dbraw/zinc/23/06/83/432230683.db2.gz RXXAMYBHDSKTDH-RVKKMQEKSA-N 1 0 320.452 3.239 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@H]1CCCc2ccccc21 ZINC000247455457 432231145 /nfs/dbraw/zinc/23/11/45/432231145.db2.gz QPBZVEZYANIHJO-SUMDDJOVSA-N 1 0 314.473 3.295 10 0 DGAERO c1c(C2CCC2)nn2ccnc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c12 ZINC000631067358 424829184 /nfs/dbraw/zinc/82/91/84/424829184.db2.gz YWTPXGHCYSCAIR-LSDHHAIUSA-N 1 0 311.433 3.036 10 0 DGAERO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355776123 266180508 /nfs/dbraw/zinc/18/05/08/266180508.db2.gz AZYNGEYENCMQKZ-IBGZPJMESA-N 1 0 317.429 3.161 10 0 DGAERO CC(=O)N1CC[N@H+](CCc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000356134176 266295001 /nfs/dbraw/zinc/29/50/01/266295001.db2.gz KQSYQLWKDHSQFR-OAHLLOKOSA-N 1 0 302.462 3.079 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2F)[C@@H](C)C1 ZINC000247463391 432232392 /nfs/dbraw/zinc/23/23/92/432232392.db2.gz REUYGUNKJLFMRK-ZQIUZPCESA-N 1 0 306.425 3.118 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247462952 432232575 /nfs/dbraw/zinc/23/25/75/432232575.db2.gz UOFZHVNNNJAJJD-VYDXJSESSA-N 1 0 303.450 3.084 10 0 DGAERO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1csc(Cl)c1 ZINC000191231048 432237452 /nfs/dbraw/zinc/23/74/52/432237452.db2.gz DUNVJEUXYMVSCY-NSHDSACASA-N 1 0 308.834 3.482 10 0 DGAERO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000247549949 432241570 /nfs/dbraw/zinc/24/15/70/432241570.db2.gz SEJMVDDHELLISJ-RDJZCZTQSA-N 1 0 301.386 3.165 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247570186 432241065 /nfs/dbraw/zinc/24/10/65/432241065.db2.gz LIXIVBZPIXUZHD-CPUCHLNUSA-N 1 0 317.433 3.094 10 0 DGAERO C[C@@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247577543 432242682 /nfs/dbraw/zinc/24/26/82/432242682.db2.gz IAGVFJPTSFRTNU-YOEHRIQHSA-N 1 0 314.408 3.278 10 0 DGAERO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000247578418 432243067 /nfs/dbraw/zinc/24/30/67/432243067.db2.gz XYVKJNXPURNPPW-SJORKVTESA-N 1 0 315.413 3.473 10 0 DGAERO C[C@@H]1CC(CC[N@H+](C)CCCN2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000182950097 432245165 /nfs/dbraw/zinc/24/51/65/432245165.db2.gz RZRUFDPUADKTQK-ROUUACIJSA-N 1 0 309.542 3.018 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(Cl)s1 ZINC000047943441 270964220 /nfs/dbraw/zinc/96/42/20/270964220.db2.gz SJGIAMGPXLGILD-LLVKDONJSA-N 1 0 300.855 3.455 10 0 DGAERO Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccc(-n3cncn3)cc1)CC2 ZINC000362516248 271038630 /nfs/dbraw/zinc/03/86/30/271038630.db2.gz NXMXUZXNDXOXSV-UHFFFAOYSA-N 1 0 318.424 3.442 10 0 DGAERO Brc1ccc(C2CC([NH2+]C[C@@H]3[C@H]4COC[C@H]43)C2)cc1 ZINC000367705063 271068024 /nfs/dbraw/zinc/06/80/24/271068024.db2.gz GEKPNHRZHSWREV-WPUFCLOJSA-N 1 0 322.246 3.177 10 0 DGAERO Cc1ccnc(C2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000368282851 271148134 /nfs/dbraw/zinc/14/81/34/271148134.db2.gz HIWHIEDSHGAVEE-UHFFFAOYSA-N 1 0 313.449 3.116 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371231814 271420940 /nfs/dbraw/zinc/42/09/40/271420940.db2.gz QFSMKQKHWQGQGY-MHIBTWIVSA-N 1 0 316.420 3.220 10 0 DGAERO C[NH+]1CCC(CC(=O)N2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000371817916 271477346 /nfs/dbraw/zinc/47/73/46/271477346.db2.gz YFLNJLXONHMXNL-LJQANCHMSA-N 1 0 314.473 3.342 10 0 DGAERO C[C@@H]1CCCC[C@H]1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000183057668 432254609 /nfs/dbraw/zinc/25/46/09/432254609.db2.gz AMJHQJUPGKEIAS-MSOLQXFVSA-N 1 0 318.509 3.106 10 0 DGAERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1F ZINC000247962207 432256161 /nfs/dbraw/zinc/25/61/61/432256161.db2.gz CZRHQZZQSDGOIR-ROUUACIJSA-N 1 0 312.388 3.309 10 0 DGAERO CSc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247957723 432256047 /nfs/dbraw/zinc/25/60/47/432256047.db2.gz FTJMRFNFCYGCGC-UKRRQHHQSA-N 1 0 319.474 3.357 10 0 DGAERO CCC[C@H](C(=O)N[C@H]1CCOc2c(Cl)cccc21)[NH+](C)C ZINC000161746011 273620431 /nfs/dbraw/zinc/62/04/31/273620431.db2.gz UNBHCBQGSBPAKC-UONOGXRCSA-N 1 0 310.825 3.010 10 0 DGAERO CCN(CCC[NH+](C)C)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000191383162 432257923 /nfs/dbraw/zinc/25/79/23/432257923.db2.gz NVNQOLMKUPDRJD-CQSZACIVSA-N 1 0 307.438 3.200 10 0 DGAERO CN(C[C@H]1CCCC[NH2+]1)c1ncc(C(F)(F)F)cc1Cl ZINC000095070793 273849516 /nfs/dbraw/zinc/84/95/16/273849516.db2.gz MAVYYXXSCWRRPZ-SNVBAGLBSA-N 1 0 307.747 3.332 10 0 DGAERO Cc1ccccc1[C@@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247981219 432257990 /nfs/dbraw/zinc/25/79/90/432257990.db2.gz IIKHFJMNGFFFLF-SJORKVTESA-N 1 0 310.445 3.447 10 0 DGAERO COc1ccc(OCCC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247975681 432258436 /nfs/dbraw/zinc/25/84/36/432258436.db2.gz HTNVNUQFMQONIJ-QFBILLFUSA-N 1 0 319.445 3.091 10 0 DGAERO COc1c(C)cnc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1C ZINC000186667855 274088971 /nfs/dbraw/zinc/08/89/71/274088971.db2.gz ICSCCPGEFALDRG-FQEVSTJZSA-N 1 0 324.424 3.338 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(C)(C)c1ccccc1 ZINC000089732371 274256973 /nfs/dbraw/zinc/25/69/73/274256973.db2.gz IIOLACKZMCHQJP-SJLPKXTDSA-N 1 0 324.472 3.401 10 0 DGAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(Br)cn2)CC1 ZINC000154909647 274292818 /nfs/dbraw/zinc/29/28/18/274292818.db2.gz OCYBEWREQUQTCK-GFCCVEGCSA-N 1 0 324.266 3.297 10 0 DGAERO C[C@@H]1CCN(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000262480988 274298651 /nfs/dbraw/zinc/29/86/51/274298651.db2.gz JZGMJANGTXDOSL-GHMZBOCLSA-N 1 0 315.339 3.297 10 0 DGAERO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1C ZINC000247988478 432258721 /nfs/dbraw/zinc/25/87/21/432258721.db2.gz IRJHOBFDQMDHPA-MOPGFXCFSA-N 1 0 308.425 3.479 10 0 DGAERO Cc1c2cccc(Cl)c2oc1C(=O)NC1CCC([NH3+])CC1 ZINC000237775644 274668924 /nfs/dbraw/zinc/66/89/24/274668924.db2.gz MGFQRTWRURDKLT-UHFFFAOYSA-N 1 0 306.793 3.394 10 0 DGAERO Cc1cc(C)n2c(C[NH2+][C@H]3CCOc4c(C)cccc43)cnc2n1 ZINC000188946669 274693563 /nfs/dbraw/zinc/69/35/63/274693563.db2.gz NGSWEUGLIYFCMX-KRWDZBQOSA-N 1 0 322.412 3.268 10 0 DGAERO COc1cccc(CCC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000247988735 432259032 /nfs/dbraw/zinc/25/90/32/432259032.db2.gz JBUPQKNCGGQAIW-PKOBYXMFSA-N 1 0 303.446 3.255 10 0 DGAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000247978962 432259517 /nfs/dbraw/zinc/25/95/17/432259517.db2.gz LZFBFKGAITYXIJ-TXPKVOOTSA-N 1 0 312.461 3.252 10 0 DGAERO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000330145040 275045232 /nfs/dbraw/zinc/04/52/32/275045232.db2.gz ZZGAQERJYVQFCX-FUHWJXTLSA-N 1 0 323.396 3.138 10 0 DGAERO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000330147365 275045260 /nfs/dbraw/zinc/04/52/60/275045260.db2.gz IQGYZWRNQMODMR-RDJZCZTQSA-N 1 0 310.401 3.123 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000176190976 275520793 /nfs/dbraw/zinc/52/07/93/275520793.db2.gz KQFLNEHGSQSZIS-ZFWWWQNUSA-N 1 0 318.417 3.109 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH3+])c3cc(F)ccc32)CC1 ZINC000044136770 275823126 /nfs/dbraw/zinc/82/31/26/275823126.db2.gz XXOUZXJIMWGDGL-OAHLLOKOSA-N 1 0 320.408 3.498 10 0 DGAERO CC1(C)COC[C@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000313033034 275854924 /nfs/dbraw/zinc/85/49/24/275854924.db2.gz KHHFEHIZVKODQP-ZIAGYGMSSA-N 1 0 310.235 3.451 10 0 DGAERO CC1(C)C[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2ccc(F)cc2O1 ZINC000090455272 275869740 /nfs/dbraw/zinc/86/97/40/275869740.db2.gz UECAZMUTMFPNQJ-BBRMVZONSA-N 1 0 315.392 3.298 10 0 DGAERO CC1(C)CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c2cccc(Cl)c21 ZINC000178475936 276125523 /nfs/dbraw/zinc/12/55/23/276125523.db2.gz KLLHRNDUWSMXGA-VXGBXAGGSA-N 1 0 306.837 3.482 10 0 DGAERO CC1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)OCCCO1 ZINC000190645879 276168559 /nfs/dbraw/zinc/16/85/59/276168559.db2.gz LCFLBVSNJGUCBE-KRWDZBQOSA-N 1 0 317.429 3.132 10 0 DGAERO CC[NH2+]CC1CCN(c2nc(C)nc3sc(C)c(C)c32)CC1 ZINC000262559885 276264533 /nfs/dbraw/zinc/26/45/33/276264533.db2.gz VCMUFFKSMCMMNX-UHFFFAOYSA-N 1 0 318.490 3.442 10 0 DGAERO CN1C[C@H]([NH2+][C@H]2CCCSc3ccc(Cl)cc32)CCC1=O ZINC000152451713 276986986 /nfs/dbraw/zinc/98/69/86/276986986.db2.gz OTSNJXZDFCKFBH-OCCSQVGLSA-N 1 0 324.877 3.477 10 0 DGAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH3+])c3cccc(F)c32)CC1 ZINC000044136773 277182571 /nfs/dbraw/zinc/18/25/71/277182571.db2.gz POSDVGUKEKEZOK-AWEZNQCLSA-N 1 0 320.408 3.498 10 0 DGAERO CC(C)([NH3+])CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178631983 277306388 /nfs/dbraw/zinc/30/63/88/277306388.db2.gz JRQABNAIVCYVAD-AWEZNQCLSA-N 1 0 302.418 3.067 10 0 DGAERO COC1([C@@H](C)[NH2+]CCc2c(C)cc(C)cc2C)CCOCC1 ZINC000453062614 277471869 /nfs/dbraw/zinc/47/18/69/277471869.db2.gz PDYIUTAMLXTGNS-QGZVFWFLSA-N 1 0 305.462 3.328 10 0 DGAERO COC[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1CCOCC1 ZINC000188293795 277571538 /nfs/dbraw/zinc/57/15/38/277571538.db2.gz REBCHGXZAJGTPO-ZWKOTPCHSA-N 1 0 307.409 3.234 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103297505 277732998 /nfs/dbraw/zinc/73/29/98/277732998.db2.gz DTJYJDKXDSWDHU-SJORKVTESA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[C@@H]1c1ccccc1 ZINC000261868949 277841079 /nfs/dbraw/zinc/84/10/79/277841079.db2.gz XRSAQMKSYIGTPQ-NRSFXHEJSA-N 1 0 300.446 3.014 10 0 DGAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000236778123 277904365 /nfs/dbraw/zinc/90/43/65/277904365.db2.gz QVGFCJOWRMISBX-MJVIPROJSA-N 1 0 316.367 3.297 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2F)cc1F ZINC000102698848 277924223 /nfs/dbraw/zinc/92/42/23/277924223.db2.gz VWZRXOIDPSSNCE-LLVKDONJSA-N 1 0 320.339 3.263 10 0 DGAERO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262242393 278032592 /nfs/dbraw/zinc/03/25/92/278032592.db2.gz BTJPRERZXJQKHC-DYWXZXKOSA-N 1 0 304.409 3.048 10 0 DGAERO CC(C)c1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000261902672 278041841 /nfs/dbraw/zinc/04/18/41/278041841.db2.gz PEFMLYNASUHPIV-GPMSIDNRSA-N 1 0 316.445 3.281 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]C2CCSCC2)c2ccc(F)cc2C1 ZINC000184529115 278055303 /nfs/dbraw/zinc/05/53/03/278055303.db2.gz URUIBWTURSANJV-KRWDZBQOSA-N 1 0 322.449 3.104 10 0 DGAERO CC1(C)CCC[N@H+](CCNC(=O)N[C@H]2CCC23CCCC3)C1 ZINC000447810599 278214655 /nfs/dbraw/zinc/21/46/55/278214655.db2.gz JVYPNWYCSHTXQG-HNNXBMFYSA-N 1 0 307.482 3.130 10 0 DGAERO C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000172194060 278244392 /nfs/dbraw/zinc/24/43/92/278244392.db2.gz SBKLVWAMBQDLEX-WMLDXEAASA-N 1 0 303.450 3.167 10 0 DGAERO C[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261683397 278305419 /nfs/dbraw/zinc/30/54/19/278305419.db2.gz BPTZVGCBGBICCF-RISCZKNCSA-N 1 0 314.351 3.496 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)C1CCCC1 ZINC000172171544 278361471 /nfs/dbraw/zinc/36/14/71/278361471.db2.gz FQFAHZLGCXKAKX-OLZOCXBDSA-N 1 0 306.475 3.190 10 0 DGAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261825004 278968110 /nfs/dbraw/zinc/96/81/10/278968110.db2.gz YJXGPOYJJCSQSL-WOJBJXKFSA-N 1 0 322.452 3.129 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1csc(-c2ccoc2)n1 ZINC000108261889 431133835 /nfs/dbraw/zinc/13/38/35/431133835.db2.gz WKZKCASSBRWARI-CYBMUJFWSA-N 1 0 321.446 3.109 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000124956523 279242431 /nfs/dbraw/zinc/24/24/31/279242431.db2.gz HAKVFWPEBRFUFE-NVXWUHKLSA-N 1 0 302.462 3.057 10 0 DGAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187851956 279273291 /nfs/dbraw/zinc/27/32/91/279273291.db2.gz JJDVJSMFZHDQPH-UKRRQHHQSA-N 1 0 305.418 3.284 10 0 DGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000255194132 279301429 /nfs/dbraw/zinc/30/14/29/279301429.db2.gz QQWFOVGWBFDNQU-IYKSTZQJSA-N 1 0 304.409 3.220 10 0 DGAERO C[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1F ZINC000108973494 431163974 /nfs/dbraw/zinc/16/39/74/431163974.db2.gz BNDYIZSPKBVLGM-HZPDHXFCSA-N 1 0 318.436 3.406 10 0 DGAERO CCc1cccc2c(CC(=O)NC[C@@H](C)[NH+](CC)CC)c[nH]c21 ZINC000069154844 431167661 /nfs/dbraw/zinc/16/76/61/431167661.db2.gz MHXTUDFHJXJIJC-CQSZACIVSA-N 1 0 315.461 3.119 10 0 DGAERO C[N@H+](CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000109124713 431173041 /nfs/dbraw/zinc/17/30/41/431173041.db2.gz GFRWMZGCVCCFFY-CABCVRRESA-N 1 0 322.399 3.059 10 0 DGAERO C[C@@H](Cn1cccn1)[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000069389869 431184593 /nfs/dbraw/zinc/18/45/93/431184593.db2.gz XOBDYYBTLAHONS-JTQLQIEISA-N 1 0 324.215 3.016 10 0 DGAERO CC[C@H](OC1CCCC1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000112817591 288133306 /nfs/dbraw/zinc/13/33/06/288133306.db2.gz OGWNSGOHBRYSGU-WMZOPIPTSA-N 1 0 322.493 3.201 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000069683410 431211852 /nfs/dbraw/zinc/21/18/52/431211852.db2.gz JZXMJQDERAZVQD-SFHVURJKSA-N 1 0 324.424 3.341 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)C(=O)Nc1ccccc1 ZINC000162968437 279497307 /nfs/dbraw/zinc/49/73/07/279497307.db2.gz ALMWOIBRZNFJDX-ZQIUZPCESA-N 1 0 310.397 3.168 10 0 DGAERO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)s1 ZINC000111360041 431216195 /nfs/dbraw/zinc/21/61/95/431216195.db2.gz JCUUONQMHXNOLD-ZWNOBZJWSA-N 1 0 304.415 3.251 10 0 DGAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccc(Br)cc1 ZINC000070088172 431238450 /nfs/dbraw/zinc/23/84/50/431238450.db2.gz KGYFYKJGFVLACL-SNVBAGLBSA-N 1 0 313.239 3.144 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000112014566 431243283 /nfs/dbraw/zinc/24/32/83/431243283.db2.gz ALYZBZALMPFWFP-PKOBYXMFSA-N 1 0 314.473 3.342 10 0 DGAERO Cc1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])ccc1F ZINC000071790685 431287824 /nfs/dbraw/zinc/28/78/24/431287824.db2.gz ICOLWTXKPZRXGW-DZGCQCFKSA-N 1 0 308.397 3.186 10 0 DGAERO Cc1ccc([C@H](C[NH2+]CCC(C)(C)C)N2CCOCC2)s1 ZINC000112697892 431298668 /nfs/dbraw/zinc/29/86/68/431298668.db2.gz DKUTTWTZEMRCGW-HNNXBMFYSA-N 1 0 310.507 3.456 10 0 DGAERO C[C@@H](CC1CC1)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000112722985 431301603 /nfs/dbraw/zinc/30/16/03/431301603.db2.gz YMWOKFWMGFBEII-INIZCTEOSA-N 1 0 315.461 3.093 10 0 DGAERO C[C@H](CC1CC1)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000112722986 431301622 /nfs/dbraw/zinc/30/16/22/431301622.db2.gz YMWOKFWMGFBEII-MRXNPFEDSA-N 1 0 315.461 3.093 10 0 DGAERO C[NH+](C)Cc1cccc(CNC(=O)N2CCCC(C)(C)C2)c1 ZINC000112743810 431303662 /nfs/dbraw/zinc/30/36/62/431303662.db2.gz IQFOLMOYNKVFOU-UHFFFAOYSA-N 1 0 303.450 3.080 10 0 DGAERO CC[C@@H](OC1CCCC1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919134 431314869 /nfs/dbraw/zinc/31/48/69/431314869.db2.gz GFSRAEOMMROFGN-GOSISDBHSA-N 1 0 322.493 3.059 10 0 DGAERO CCn1c(C[N@@H+]2CCC[C@@H](COC)C2)nc2cc(F)ccc21 ZINC000112989152 431322136 /nfs/dbraw/zinc/32/21/36/431322136.db2.gz KCNBPZMTZLTUMT-CYBMUJFWSA-N 1 0 305.397 3.054 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)SCc1ccccc1 ZINC000072012944 431326682 /nfs/dbraw/zinc/32/66/82/431326682.db2.gz AYPXRNNRJJOQPR-RDJZCZTQSA-N 1 0 322.518 3.401 10 0 DGAERO C[C@@H]1CCc2sc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cc2C1 ZINC000113223429 431336416 /nfs/dbraw/zinc/33/64/16/431336416.db2.gz YBEDAJGHZYFJFK-VNHYZAJKSA-N 1 0 318.486 3.182 10 0 DGAERO Cn1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c2ccccc21 ZINC000007257772 431338092 /nfs/dbraw/zinc/33/80/92/431338092.db2.gz GCCFZZPDBXXANV-SFHVURJKSA-N 1 0 321.424 3.211 10 0 DGAERO CC(C)CCC[C@H](C)NC(=O)C[N@H+](C(C)C)C1CCOCC1 ZINC000072685581 431347321 /nfs/dbraw/zinc/34/73/21/431347321.db2.gz PFOXXBXSRBZYCC-INIZCTEOSA-N 1 0 312.498 3.207 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000007817779 431363752 /nfs/dbraw/zinc/36/37/52/431363752.db2.gz LIFMTXXPWNXQKA-SFHVURJKSA-N 1 0 307.397 3.201 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)CSc1ccccc1)c1ccccc1 ZINC000007817563 431366171 /nfs/dbraw/zinc/36/61/71/431366171.db2.gz ONQDIYNYQFTVRX-QGZVFWFLSA-N 1 0 314.454 3.198 10 0 DGAERO CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000073874608 431384651 /nfs/dbraw/zinc/38/46/51/431384651.db2.gz VYBOBTAIQHBRRN-UHFFFAOYSA-N 1 0 315.461 3.093 10 0 DGAERO O=C1[C@H]([NH2+]Cc2cccc3[nH]ccc32)CCCN1c1ccccc1 ZINC000114511034 431393925 /nfs/dbraw/zinc/39/39/25/431393925.db2.gz MEMDKLWWWQUPFU-LJQANCHMSA-N 1 0 319.408 3.453 10 0 DGAERO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)nc12 ZINC000114495178 431394373 /nfs/dbraw/zinc/39/43/73/431394373.db2.gz WCZUVJHWLCMXNQ-FQEVSTJZSA-N 1 0 323.440 3.325 10 0 DGAERO O=c1cc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)nc2sccn21 ZINC000114494867 431396073 /nfs/dbraw/zinc/39/60/73/431396073.db2.gz QEGSIHGVFGZVOZ-QGZVFWFLSA-N 1 0 315.442 3.078 10 0 DGAERO C[NH+]1CCC(CCNC(=O)N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000114595407 431397986 /nfs/dbraw/zinc/39/79/86/431397986.db2.gz RUMAEAXLHGEODV-LJQANCHMSA-N 1 0 319.493 3.250 10 0 DGAERO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114564081 431398861 /nfs/dbraw/zinc/39/88/61/431398861.db2.gz CXBOHBXYOZWAMC-WMZOPIPTSA-N 1 0 321.486 3.448 10 0 DGAERO CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1cccnc1 ZINC000115645240 431467374 /nfs/dbraw/zinc/46/73/74/431467374.db2.gz UIWBYJVREKVLRF-HNNXBMFYSA-N 1 0 318.465 3.047 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](c1ncccc1C)C(C)C ZINC000115796929 431472993 /nfs/dbraw/zinc/47/29/93/431472993.db2.gz JTZXKOBUECMDIF-HOTGVXAUSA-N 1 0 320.481 3.117 10 0 DGAERO Cc1cccc(N2CCC(NC(=O)CCc3ccccc3)CC2)n1 ZINC000116667095 431519521 /nfs/dbraw/zinc/51/95/21/431519521.db2.gz PUHCCURIQZBFMP-UHFFFAOYSA-N 1 0 323.440 3.108 10 0 DGAERO O[C@@H](C[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F)c1ccccc1 ZINC000076076010 431524127 /nfs/dbraw/zinc/52/41/27/431524127.db2.gz WGFOSWOCYJSOMB-GJZGRUSLSA-N 1 0 317.351 3.153 10 0 DGAERO C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000076117289 431528736 /nfs/dbraw/zinc/52/87/36/431528736.db2.gz NMJSOQSNZBVSBS-MNOVXSKESA-N 1 0 304.217 3.217 10 0 DGAERO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)n(C(C)(C)C)n1 ZINC000076148767 431531563 /nfs/dbraw/zinc/53/15/63/431531563.db2.gz LLGPULHFZHIKJX-OCCSQVGLSA-N 1 0 306.454 3.005 10 0 DGAERO CC(C)[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1Cl ZINC000119884863 279902294 /nfs/dbraw/zinc/90/22/94/279902294.db2.gz AIXVQXWZDPGUQY-OAHLLOKOSA-N 1 0 309.841 3.170 10 0 DGAERO [NH3+][C@H](Cn1cnc2ccccc21)c1ccc(Br)cc1 ZINC000011849829 431482897 /nfs/dbraw/zinc/48/28/97/431482897.db2.gz SMJIBKXUVJEFCH-CYBMUJFWSA-N 1 0 316.202 3.499 10 0 DGAERO CC(C)NC(=O)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000075611431 431488801 /nfs/dbraw/zinc/48/88/01/431488801.db2.gz YEXIQXPHHFECCS-UHFFFAOYSA-N 1 0 315.392 3.115 10 0 DGAERO CC(C)[C@H](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116245711 431497092 /nfs/dbraw/zinc/49/70/92/431497092.db2.gz RQUASPGHMJIIKJ-NUJGCVRESA-N 1 0 317.477 3.090 10 0 DGAERO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116291753 431498567 /nfs/dbraw/zinc/49/85/67/431498567.db2.gz XYVKJNXPURNPPW-IAGOWNOFSA-N 1 0 315.413 3.473 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(F)cc4cccnc43)C2)cn1 ZINC000116312130 431502139 /nfs/dbraw/zinc/50/21/39/431502139.db2.gz YJYNUFPQKOHYIT-CQSZACIVSA-N 1 0 310.376 3.097 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000116319100 431503820 /nfs/dbraw/zinc/50/38/20/431503820.db2.gz LXYWJJFYMLHZNX-ZDUSSCGKSA-N 1 0 309.335 3.428 10 0 DGAERO CC[C@H](CO)N1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000075961892 431507994 /nfs/dbraw/zinc/50/79/94/431507994.db2.gz ZBHUFLMIPUOUBC-DAWZGUTISA-N 1 0 310.526 3.227 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)n1 ZINC000116871833 431536022 /nfs/dbraw/zinc/53/60/22/431536022.db2.gz FUKMSKOWVUCWKM-INIZCTEOSA-N 1 0 321.428 3.360 10 0 DGAERO C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000076425141 431549423 /nfs/dbraw/zinc/54/94/23/431549423.db2.gz UATUNBAQDKIVMU-QAPCUYQASA-N 1 0 315.461 3.126 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ccccc3n2)[C@H](C)C1 ZINC000076485587 431552486 /nfs/dbraw/zinc/55/24/86/431552486.db2.gz QSOWMHYYVCVUNW-KDOFPFPSSA-N 1 0 311.429 3.037 10 0 DGAERO CCc1ccc(CCC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000076492184 431553593 /nfs/dbraw/zinc/55/35/93/431553593.db2.gz JVBVCCKCJQKBII-QFBILLFUSA-N 1 0 316.489 3.370 10 0 DGAERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)c1ccccc1 ZINC000173911844 280172964 /nfs/dbraw/zinc/17/29/64/280172964.db2.gz XDXYOVKBZZMAKQ-IAGOWNOFSA-N 1 0 317.477 3.088 10 0 DGAERO O=C(c1ccc(Cl)cc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917228 280183494 /nfs/dbraw/zinc/18/34/94/280183494.db2.gz XKEWHJWOFJRPES-ABAIWWIYSA-N 1 0 310.800 3.083 10 0 DGAERO CC(C)Oc1ccc(F)cc1NC(=O)NCC[N@H+](C)C(C)C ZINC000077203554 431572327 /nfs/dbraw/zinc/57/23/27/431572327.db2.gz APTMXQRHHBASKB-UHFFFAOYSA-N 1 0 311.401 3.075 10 0 DGAERO Cc1c(NC(=O)C2C[NH+](C3CCCCC3)C2)cccc1N(C)C ZINC000457708822 280242097 /nfs/dbraw/zinc/24/20/97/280242097.db2.gz NDUQOHDYZRFSBJ-UHFFFAOYSA-N 1 0 315.461 3.264 10 0 DGAERO Cc1cn[nH]c1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000289746884 280283838 /nfs/dbraw/zinc/28/38/38/280283838.db2.gz FERDRJHTNBWLJF-CYBMUJFWSA-N 1 0 306.207 3.258 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262027961 280407774 /nfs/dbraw/zinc/40/77/74/280407774.db2.gz PCWFUGXBBNUHOQ-NCOADZHNSA-N 1 0 324.509 3.050 10 0 DGAERO CC(C)[N@H+](Cc1nc(Cc2ccccc2)no1)C1CCOCC1 ZINC000077322915 431585687 /nfs/dbraw/zinc/58/56/87/431585687.db2.gz FAWWCRKSLLEXHP-UHFFFAOYSA-N 1 0 315.417 3.050 10 0 DGAERO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000119070322 431641134 /nfs/dbraw/zinc/64/11/34/431641134.db2.gz WEBIEBPPMKHLND-OAHLLOKOSA-N 1 0 304.365 3.216 10 0 DGAERO CCCn1cc(CN(Cc2ccco2)C[C@@H]2CCCO2)cn1 ZINC000119077809 431641844 /nfs/dbraw/zinc/64/18/44/431641844.db2.gz JKCZQTTUCNCZLH-KRWDZBQOSA-N 1 0 303.406 3.067 10 0 DGAERO CCNC(=O)CC[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000025930316 431670009 /nfs/dbraw/zinc/67/00/09/431670009.db2.gz NDJCAWGNFADYOD-KRWDZBQOSA-N 1 0 304.434 3.139 10 0 DGAERO [NH3+][C@@H](CC(=O)N1CCCC[C@@H]1c1nccs1)c1ccccc1 ZINC000119623555 431712886 /nfs/dbraw/zinc/71/28/86/431712886.db2.gz GKUGGLTUYQTJRA-LSDHHAIUSA-N 1 0 315.442 3.287 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N(C)CC[NH+](C)C)cc1Cl ZINC000078478378 431672900 /nfs/dbraw/zinc/67/29/00/431672900.db2.gz JYIHRKJTIIDLGD-UHFFFAOYSA-N 1 0 313.829 3.153 10 0 DGAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000119305540 431674157 /nfs/dbraw/zinc/67/41/57/431674157.db2.gz ILLJJTIPADIRCW-HUUCEWRRSA-N 1 0 314.429 3.032 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119290934 431674227 /nfs/dbraw/zinc/67/42/27/431674227.db2.gz OSVBSOJHRQTLIA-QGZVFWFLSA-N 1 0 321.440 3.185 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)NC1CC1 ZINC000078518398 431677623 /nfs/dbraw/zinc/67/76/23/431677623.db2.gz IHRVIPRUJJQCAD-RKDXNWHRSA-N 1 0 301.217 3.311 10 0 DGAERO CC(C)C[C@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccncc1 ZINC000027522656 431689133 /nfs/dbraw/zinc/68/91/33/431689133.db2.gz JVYJQMFEUKWGAP-IBGZPJMESA-N 1 0 319.493 3.360 10 0 DGAERO CC(C)C[C@@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccncc1 ZINC000027522655 431690500 /nfs/dbraw/zinc/69/05/00/431690500.db2.gz JVYJQMFEUKWGAP-LJQANCHMSA-N 1 0 319.493 3.360 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C)cc1F ZINC000078691195 431696904 /nfs/dbraw/zinc/69/69/04/431696904.db2.gz QGJQKBHADVTGPI-OLZOCXBDSA-N 1 0 310.413 3.036 10 0 DGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000078691167 431697956 /nfs/dbraw/zinc/69/79/56/431697956.db2.gz FZCXCRUHPIIPRS-QWHCGFSZSA-N 1 0 310.413 3.180 10 0 DGAERO CC1=[NH+]CCN1CCNC1c2ccccc2Oc2ccccc21 ZINC000028232823 431702794 /nfs/dbraw/zinc/70/27/94/431702794.db2.gz ZFPAPQSTTRQGMN-UHFFFAOYSA-N 1 0 307.397 3.205 10 0 DGAERO Cc1cc(N2C[C@@H](C)[C@H](C(N)=O)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000408110602 280583801 /nfs/dbraw/zinc/58/38/01/280583801.db2.gz SDKHFMYWGRGMCE-QMTHXVAHSA-N 1 0 317.820 3.063 10 0 DGAERO CCOCCC1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCCC1 ZINC000119577551 431711125 /nfs/dbraw/zinc/71/11/25/431711125.db2.gz ZZMZOONSCWJSFM-IKGGRYGDSA-N 1 0 322.493 3.010 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(Cc1ccccc1)C1CC1 ZINC000079495390 431724736 /nfs/dbraw/zinc/72/47/36/431724736.db2.gz SAMAIIRNIOLDBN-QGZVFWFLSA-N 1 0 317.477 3.337 10 0 DGAERO CC[N@H+](CCNC(=O)c1sc(C2CCCC2)nc1C)C1CC1 ZINC000079995995 431756105 /nfs/dbraw/zinc/75/61/05/431756105.db2.gz GCAIOKRUFDCAEB-UHFFFAOYSA-N 1 0 321.490 3.323 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121241113 431759704 /nfs/dbraw/zinc/75/97/04/431759704.db2.gz OQHUMJSKFJZQJY-LBPRGKRZSA-N 1 0 321.856 3.300 10 0 DGAERO Fc1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1F ZINC000078969151 431714023 /nfs/dbraw/zinc/71/40/23/431714023.db2.gz PXNIHBUNCJRBPT-UHFFFAOYSA-N 1 0 303.356 3.118 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000120016858 431722041 /nfs/dbraw/zinc/72/20/41/431722041.db2.gz KHQSIEQNUWQJQU-XEZPLFJOSA-N 1 0 324.490 3.199 10 0 DGAERO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000122193401 431818134 /nfs/dbraw/zinc/81/81/34/431818134.db2.gz SXQKLGNTJYUVGO-CQSZACIVSA-N 1 0 315.442 3.302 10 0 DGAERO COCC[C@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000081705849 431800305 /nfs/dbraw/zinc/80/03/05/431800305.db2.gz OULBOJYLXDMFPT-GXFFZTMASA-N 1 0 314.223 3.287 10 0 DGAERO C[C@H]1C[N@H+](Cc2cccc(SC(=O)N(C)C)c2)CCS1 ZINC000084074820 431813469 /nfs/dbraw/zinc/81/34/69/431813469.db2.gz TVJCDJVBJARXKJ-LBPRGKRZSA-N 1 0 310.488 3.398 10 0 DGAERO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCO ZINC000033451850 431815167 /nfs/dbraw/zinc/81/51/67/431815167.db2.gz GVTUZXPMLYXTRZ-UHFFFAOYSA-N 1 0 305.805 3.309 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000085976037 431842566 /nfs/dbraw/zinc/84/25/66/431842566.db2.gz ANJTWBJMHNBQQN-GDBMZVCRSA-N 1 0 302.443 3.451 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000122752863 431843735 /nfs/dbraw/zinc/84/37/35/431843735.db2.gz POSLFQXIQCYRMG-HNNXBMFYSA-N 1 0 313.401 3.103 10 0 DGAERO CSCCCCC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000122884737 431848001 /nfs/dbraw/zinc/84/80/01/431848001.db2.gz LGVPWQSMRLFVMI-UHFFFAOYSA-N 1 0 312.454 3.037 10 0 DGAERO COc1ccc(CC[NH2+][C@@H]2CCCc3c2cnn3C)c(Cl)c1 ZINC000122926969 431848854 /nfs/dbraw/zinc/84/88/54/431848854.db2.gz BMIVUBWOWHHULN-MRXNPFEDSA-N 1 0 319.836 3.292 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2cccc(F)c2)CC[N@@H+]1C ZINC000122949835 431849778 /nfs/dbraw/zinc/84/97/78/431849778.db2.gz JHJXLHNIMTZBIW-XJKSGUPXSA-N 1 0 306.425 3.044 10 0 DGAERO COc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1Br ZINC000037988699 431852694 /nfs/dbraw/zinc/85/26/94/431852694.db2.gz XSRGDGJKAULCKY-GFCCVEGCSA-N 1 0 314.223 3.116 10 0 DGAERO FC(F)Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038044836 431854656 /nfs/dbraw/zinc/85/46/56/431854656.db2.gz PBZUZNWCQIQLLO-JTQLQIEISA-N 1 0 305.752 3.458 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2nc3cc(Cl)ccc3n2C)CC[N@@H+]1C ZINC000123099993 431854878 /nfs/dbraw/zinc/85/48/78/431854878.db2.gz ZFXYTRUVXBFDNC-GXTWGEPZSA-N 1 0 320.868 3.141 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)CC(C)C)cc1F ZINC000088784796 431859240 /nfs/dbraw/zinc/85/92/40/431859240.db2.gz XYBRDQMUTUCGIZ-HNNXBMFYSA-N 1 0 323.456 3.424 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)CC(C)C)cc1F ZINC000088784795 431859317 /nfs/dbraw/zinc/85/93/17/431859317.db2.gz XYBRDQMUTUCGIZ-OAHLLOKOSA-N 1 0 323.456 3.424 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000089264606 431862512 /nfs/dbraw/zinc/86/25/12/431862512.db2.gz UPWMHNJGXAWWBS-GFCCVEGCSA-N 1 0 322.430 3.457 10 0 DGAERO CCOc1cc(CN(C)C[C@H]2CCC[N@@H+]2CC)ccc1OC ZINC000123402377 431863923 /nfs/dbraw/zinc/86/39/23/431863923.db2.gz RPMLRHVNIVZBJF-MRXNPFEDSA-N 1 0 306.450 3.010 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccs2)cc1 ZINC000089641621 431873759 /nfs/dbraw/zinc/87/37/59/431873759.db2.gz LDTPQIXPXRULPN-ZDUSSCGKSA-N 1 0 318.442 3.227 10 0 DGAERO CCn1c2cccc(F)c2nc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123534440 431867026 /nfs/dbraw/zinc/86/70/26/431867026.db2.gz PTEIOGDGDBBXAX-KGLIPLIRSA-N 1 0 318.440 3.110 10 0 DGAERO c1ccc(OCC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123572207 431868419 /nfs/dbraw/zinc/86/84/19/431868419.db2.gz MTUYHSJCKPAPGV-NVXWUHKLSA-N 1 0 307.459 3.052 10 0 DGAERO Cc1noc(CC[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)n1 ZINC000089518750 431868535 /nfs/dbraw/zinc/86/85/35/431868535.db2.gz GMUXULDHNIYURS-AWEZNQCLSA-N 1 0 321.808 3.386 10 0 DGAERO Cc1noc(CC[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)n1 ZINC000089518283 431868870 /nfs/dbraw/zinc/86/88/70/431868870.db2.gz FVFPDNQPATYXGI-HNNXBMFYSA-N 1 0 301.390 3.041 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)n1 ZINC000089518672 431868886 /nfs/dbraw/zinc/86/88/86/431868886.db2.gz UCFCXAHEHBEJKB-VIFPVBQESA-N 1 0 308.451 3.334 10 0 DGAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000123626348 431869593 /nfs/dbraw/zinc/86/95/93/431869593.db2.gz INLWNTFTBMBDNO-OAHLLOKOSA-N 1 0 320.234 3.268 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123615073 431870018 /nfs/dbraw/zinc/87/00/18/431870018.db2.gz MWNCKIHWTKJYHF-XJKSGUPXSA-N 1 0 308.853 3.214 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C2(c3ccccc3)CCC2)CC[N@@H+]1C ZINC000123607292 431870033 /nfs/dbraw/zinc/87/00/33/431870033.db2.gz UEKFKPOEOBILKB-DOTOQJQBSA-N 1 0 300.446 3.049 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000043722697 431870361 /nfs/dbraw/zinc/87/03/61/431870361.db2.gz JPMASEXDVUEKBZ-HOCLYGCPSA-N 1 0 321.465 3.460 10 0 DGAERO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc2sccc2s1 ZINC000123657556 431870867 /nfs/dbraw/zinc/87/08/67/431870867.db2.gz NKJADBHMEZTKHZ-SNVBAGLBSA-N 1 0 306.456 3.367 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2ncc(-c3cccs3)o2)CC[N@@H+]1C ZINC000123673988 431871429 /nfs/dbraw/zinc/87/14/29/431871429.db2.gz KNNFRGDSAWSWJE-CHWSQXEVSA-N 1 0 305.447 3.318 10 0 DGAERO C[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000123684731 431871582 /nfs/dbraw/zinc/87/15/82/431871582.db2.gz FXFPYZOUSXSCRQ-SJLPKXTDSA-N 1 0 300.446 3.267 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2ncc(-c3cccs3)o2)CC[N@@H+]1C ZINC000123674720 431871771 /nfs/dbraw/zinc/87/17/71/431871771.db2.gz KNNFRGDSAWSWJE-STQMWFEESA-N 1 0 305.447 3.318 10 0 DGAERO C[NH+](C)CCN(Cc1cccs1)C(=O)CSC(C)(C)C ZINC000084250005 431819911 /nfs/dbraw/zinc/81/99/11/431819911.db2.gz GMTYUTDVMICWJS-UHFFFAOYSA-N 1 0 314.520 3.170 10 0 DGAERO CSCc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000122265514 431824471 /nfs/dbraw/zinc/82/44/71/431824471.db2.gz ZRWHVONNJASAMD-BBRMVZONSA-N 1 0 321.490 3.400 10 0 DGAERO CC[C@H]1CN(Cc2ccc(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000122358670 431829610 /nfs/dbraw/zinc/82/96/10/431829610.db2.gz VUMLQGKFBCNGCM-FZMZJTMJSA-N 1 0 315.230 3.147 10 0 DGAERO COCCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccccc1 ZINC000036095454 431835283 /nfs/dbraw/zinc/83/52/83/431835283.db2.gz LIDVLWZOCLVANN-IBGZPJMESA-N 1 0 317.404 3.398 10 0 DGAERO COCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)Cc1ccccc1 ZINC000036101032 431835350 /nfs/dbraw/zinc/83/53/50/431835350.db2.gz JIKKDQLIXHSXTB-KRWDZBQOSA-N 1 0 319.470 3.109 10 0 DGAERO CCCOc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000124907118 431908297 /nfs/dbraw/zinc/90/82/97/431908297.db2.gz UMVUDTXWKAZNHZ-MRXNPFEDSA-N 1 0 319.449 3.423 10 0 DGAERO Fc1c(Cl)cccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000125064592 431912951 /nfs/dbraw/zinc/91/29/51/431912951.db2.gz BRVVBDIIGNENSO-LBPRGKRZSA-N 1 0 307.752 3.409 10 0 DGAERO C[NH+]1CCC(NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000047885449 431916172 /nfs/dbraw/zinc/91/61/72/431916172.db2.gz DIXKIPVBDRHKAV-INIZCTEOSA-N 1 0 321.852 3.185 10 0 DGAERO C[C@H](c1cccc(Br)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094449056 431919586 /nfs/dbraw/zinc/91/95/86/431919586.db2.gz XOZOJXKUSCGGGW-IUODEOHRSA-N 1 0 309.251 3.290 10 0 DGAERO Clc1ncc(COCCC[C@H]2CCCC[NH2+]2)c(Cl)n1 ZINC000095070232 431920545 /nfs/dbraw/zinc/92/05/45/431920545.db2.gz YRSFTSXOPUBDHB-LLVKDONJSA-N 1 0 304.221 3.222 10 0 DGAERO CC(C)[C@@H](O)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000123883371 431877224 /nfs/dbraw/zinc/87/72/24/431877224.db2.gz QVOZPDAKGSRSKL-WFASDCNBSA-N 1 0 301.377 3.216 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000123862038 431877269 /nfs/dbraw/zinc/87/72/69/431877269.db2.gz DPUPMNHHJTXWJX-QWRGUYRKSA-N 1 0 317.296 3.425 10 0 DGAERO Cn1cccc1C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000089802546 431879961 /nfs/dbraw/zinc/87/99/61/431879961.db2.gz CXXNEQDYCFTAHW-UHFFFAOYSA-N 1 0 306.356 3.099 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2coc(-c3cccc(F)c3)n2)CC[N@@H+]1C ZINC000123995083 431880098 /nfs/dbraw/zinc/88/00/98/431880098.db2.gz YCAMOOADMDRDDW-CXAGYDPISA-N 1 0 317.408 3.395 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2csc(-c3ccoc3)n2)CC[N@@H+]1C ZINC000124043782 431880936 /nfs/dbraw/zinc/88/09/36/431880936.db2.gz GTFSKDJGZBXOPZ-IUODEOHRSA-N 1 0 305.447 3.318 10 0 DGAERO CCOc1ccc([C@@H](C)[NH2+]CCn2cc(C)cn2)cc1OCC ZINC000124069042 431882061 /nfs/dbraw/zinc/88/20/61/431882061.db2.gz QNAJNOIQJLZZJH-OAHLLOKOSA-N 1 0 317.433 3.340 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2csc(-c3ccoc3)n2)CC[N@@H+]1C ZINC000124044189 431882253 /nfs/dbraw/zinc/88/22/53/431882253.db2.gz GTFSKDJGZBXOPZ-DOMZBBRYSA-N 1 0 305.447 3.318 10 0 DGAERO CCNC(=O)[C@@H]1CCCN(c2cc(CC)[nH+]c3ccccc32)C1 ZINC000124327660 431890743 /nfs/dbraw/zinc/89/07/43/431890743.db2.gz FWFREBURRFKZOB-CQSZACIVSA-N 1 0 311.429 3.150 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)CCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000124376747 431892185 /nfs/dbraw/zinc/89/21/85/431892185.db2.gz HXQXOOSTKSLBEG-VXGBXAGGSA-N 1 0 314.882 3.275 10 0 DGAERO O[C@@]1(C(F)(F)F)CC[N@H+](CCCSCc2ccccc2)C1 ZINC000090551897 431893208 /nfs/dbraw/zinc/89/32/08/431893208.db2.gz SSQHXEHZHIIHEP-AWEZNQCLSA-N 1 0 319.392 3.309 10 0 DGAERO CC(=O)Oc1ccc(CN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000124473234 431894424 /nfs/dbraw/zinc/89/44/24/431894424.db2.gz XHHMPDKMRWSSEE-MRXNPFEDSA-N 1 0 317.410 3.247 10 0 DGAERO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000090879584 431896270 /nfs/dbraw/zinc/89/62/70/431896270.db2.gz CYSQGICYGPYRCB-ZBFHGGJFSA-N 1 0 302.422 3.123 10 0 DGAERO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)[C@@H]1CCCO1 ZINC000090858691 431896351 /nfs/dbraw/zinc/89/63/51/431896351.db2.gz JUFLAILRTRWZQU-QITLCBANSA-N 1 0 320.433 3.262 10 0 DGAERO CCCC[C@H](COC)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000090879585 431896591 /nfs/dbraw/zinc/89/65/91/431896591.db2.gz CYSQGICYGPYRCB-GDBMZVCRSA-N 1 0 302.422 3.123 10 0 DGAERO CC1(C)C[C@H]([NH2+]Cc2ccn(-c3ccc(F)cc3)n2)C(C)(C)O1 ZINC000090944034 431898667 /nfs/dbraw/zinc/89/86/67/431898667.db2.gz CGBICRFVDVBGMU-INIZCTEOSA-N 1 0 317.408 3.447 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccccc1 ZINC000090938233 431898821 /nfs/dbraw/zinc/89/88/21/431898821.db2.gz IDZFHDGPAWIMBO-CABCVRRESA-N 1 0 307.397 3.136 10 0 DGAERO c1cnn(CC2CC[NH+](Cc3ccc4ccccc4n3)CC2)c1 ZINC000124636248 431900155 /nfs/dbraw/zinc/90/01/55/431900155.db2.gz VWCCHFZNAQOXOU-UHFFFAOYSA-N 1 0 306.413 3.344 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000046858328 431901646 /nfs/dbraw/zinc/90/16/46/431901646.db2.gz ZKWJCRMIOQZZNL-HNNXBMFYSA-N 1 0 318.436 3.238 10 0 DGAERO Cc1ccc([C@@H]2CCCCN2CC(=O)NCc2cccs2)o1 ZINC000124719365 431902776 /nfs/dbraw/zinc/90/27/76/431902776.db2.gz QDRDHXLWGAQSSZ-HNNXBMFYSA-N 1 0 318.442 3.493 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000124762700 431903227 /nfs/dbraw/zinc/90/32/27/431903227.db2.gz MFQFJWWXMVLFID-RDTXWAMCSA-N 1 0 300.446 3.120 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000124781740 431904453 /nfs/dbraw/zinc/90/44/53/431904453.db2.gz SCFFVLLHMXHNDQ-HIFRSBDPSA-N 1 0 308.853 3.214 10 0 DGAERO C[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccc(F)cc1 ZINC000124784824 431904522 /nfs/dbraw/zinc/90/45/22/431904522.db2.gz FABVNTUQXPOKFA-UHFFFAOYSA-N 1 0 319.355 3.008 10 0 DGAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2ccsc2)C1 ZINC000054805585 431973124 /nfs/dbraw/zinc/97/31/24/431973124.db2.gz KVBVEZPVAXCOOG-AWEZNQCLSA-N 1 0 323.506 3.100 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]Cc2cncnc2)cc1Br ZINC000054767718 431973204 /nfs/dbraw/zinc/97/32/04/431973204.db2.gz HIMAIVMHMXXADZ-SNVBAGLBSA-N 1 0 322.206 3.099 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)c1cnn(C)c1 ZINC000127631031 431977006 /nfs/dbraw/zinc/97/70/06/431977006.db2.gz HSZXCABBPVNRCF-QGZVFWFLSA-N 1 0 309.417 3.155 10 0 DGAERO Cc1nc(CN2CCC[C@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127740048 431979172 /nfs/dbraw/zinc/97/91/72/431979172.db2.gz DGAWEUZSRDJCJL-LBPRGKRZSA-N 1 0 306.435 3.338 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(Cl)sc1Cl ZINC000125602730 431930581 /nfs/dbraw/zinc/93/05/81/431930581.db2.gz HSMCVVWWQPSQMH-ZANVPECISA-N 1 0 324.273 3.495 10 0 DGAERO CC(=O)Oc1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000125684456 431933378 /nfs/dbraw/zinc/93/33/78/431933378.db2.gz YLPWGWVSRYBIDT-SFHVURJKSA-N 1 0 310.397 3.298 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc2c(c1)CCCC2 ZINC000125766054 431934904 /nfs/dbraw/zinc/93/49/04/431934904.db2.gz DTZVARQNRNCOBV-DNVCBOLYSA-N 1 0 303.446 3.005 10 0 DGAERO O=C(c1c(F)cccc1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074352 431936380 /nfs/dbraw/zinc/93/63/80/431936380.db2.gz KFBMKQHMYZKNGI-UHFFFAOYSA-N 1 0 324.827 3.427 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccc(Cl)s1 ZINC000049129317 431937205 /nfs/dbraw/zinc/93/72/05/431937205.db2.gz DHVZMJGVAZWHFD-MNOVXSKESA-N 1 0 315.822 3.223 10 0 DGAERO c1cc([C@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)cs1 ZINC000125914887 431938295 /nfs/dbraw/zinc/93/82/95/431938295.db2.gz GSCOJIMYSZNEIB-QGZVFWFLSA-N 1 0 301.411 3.257 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCCn2nc(COC)nc21)C1CCCCC1 ZINC000125393981 280958444 /nfs/dbraw/zinc/95/84/44/280958444.db2.gz XGOPJPGOGBDLPF-LSDHHAIUSA-N 1 0 306.454 3.208 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCCOc2ccccc2Cl)C1 ZINC000051377132 431950755 /nfs/dbraw/zinc/95/07/55/431950755.db2.gz ZWNTZBMQOPAZJR-CQSZACIVSA-N 1 0 324.852 3.100 10 0 DGAERO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccnn1C)CCCO2 ZINC000126533273 431952154 /nfs/dbraw/zinc/95/21/54/431952154.db2.gz BXSZUJMCZQOVMD-HNNXBMFYSA-N 1 0 305.809 3.385 10 0 DGAERO C[NH+](C)C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000052555335 431956358 /nfs/dbraw/zinc/95/63/58/431956358.db2.gz ZLCYVQLUFWKVJW-QGZVFWFLSA-N 1 0 316.832 3.302 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000052556132 431956377 /nfs/dbraw/zinc/95/63/77/431956377.db2.gz DZVHNCYYDBBYBR-FQEVSTJZSA-N 1 0 322.452 3.137 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000052554436 431956426 /nfs/dbraw/zinc/95/64/26/431956426.db2.gz FZAHOFAOEUYDTK-INIZCTEOSA-N 1 0 302.805 3.373 10 0 DGAERO [NH3+][C@@H]1CN(Cc2cccc3cccnc32)C[C@H]1c1ccc(F)cc1 ZINC000097163512 431964467 /nfs/dbraw/zinc/96/44/67/431964467.db2.gz LVRFBBPCNSGUFR-RBUKOAKNSA-N 1 0 321.399 3.301 10 0 DGAERO C[C@H](CCO)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000097439853 431969309 /nfs/dbraw/zinc/96/93/09/431969309.db2.gz JKHCFYNIPIISSA-OLZOCXBDSA-N 1 0 301.377 3.217 10 0 DGAERO CC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000097491328 431969316 /nfs/dbraw/zinc/96/93/16/431969316.db2.gz JPKLINWSDXEKBE-GFCCVEGCSA-N 1 0 306.372 3.052 10 0 DGAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000054291121 431970107 /nfs/dbraw/zinc/97/01/07/431970107.db2.gz IWMHZZREPZMPLP-VIFPVBQESA-N 1 0 304.287 3.173 10 0 DGAERO Cc1ccc(N2CCC[N@@H+]([C@H](C)c3ccccc3C)CC2)nn1 ZINC000127979325 431985153 /nfs/dbraw/zinc/98/51/53/431985153.db2.gz NJLYZHGTFBDTEM-QGZVFWFLSA-N 1 0 310.445 3.367 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C)o2)[C@H](C)C1 ZINC000127994386 431985561 /nfs/dbraw/zinc/98/55/61/431985561.db2.gz MWGGVUFPEDOOHU-SNPRPXQTSA-N 1 0 307.438 3.021 10 0 DGAERO CCc1nc2sccc2c(N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)n1 ZINC000128046417 431986196 /nfs/dbraw/zinc/98/61/96/431986196.db2.gz LCIJIUMWEXHUNG-QWHCGFSZSA-N 1 0 316.474 3.317 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(Cc2ccccc2)CC1 ZINC000177116861 281187949 /nfs/dbraw/zinc/18/79/49/281187949.db2.gz PJZUILZSHZHYBY-ZWKOTPCHSA-N 1 0 312.457 3.095 10 0 DGAERO CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000101635927 431987074 /nfs/dbraw/zinc/98/70/74/431987074.db2.gz WFHSJVAMVAWODL-UHFFFAOYSA-N 1 0 317.820 3.069 10 0 DGAERO Cc1ccc(CC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC000057048518 431990472 /nfs/dbraw/zinc/99/04/72/431990472.db2.gz AGLOZLJFXGMKLU-ZDUSSCGKSA-N 1 0 308.491 3.226 10 0 DGAERO Cc1cccc2c1OCC[C@H]2[NH2+]C1CCC2(CC1)OCCO2 ZINC000189371022 281290603 /nfs/dbraw/zinc/29/06/03/281290603.db2.gz FPBSDTJZPMDVFP-MRXNPFEDSA-N 1 0 303.402 3.094 10 0 DGAERO CCCCSCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248139104 432271130 /nfs/dbraw/zinc/27/11/30/432271130.db2.gz YCFSUTVLSZWUPQ-AEFFLSMTSA-N 1 0 320.502 3.471 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)CCS2 ZINC000191516949 432272279 /nfs/dbraw/zinc/27/22/79/432272279.db2.gz WDXIRPZMNFEERN-UHOFOFEASA-N 1 0 307.459 3.373 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1nccs1 ZINC000248183233 432274223 /nfs/dbraw/zinc/27/42/23/432274223.db2.gz WVIKURNPRVLDNO-IJEWVQPXSA-N 1 0 316.474 3.099 10 0 DGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000173380061 432276206 /nfs/dbraw/zinc/27/62/06/432276206.db2.gz DLPATZYHEVAJMG-GDBMZVCRSA-N 1 0 308.491 3.170 10 0 DGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@H]2CCCCO2)c1 ZINC000248258531 432277207 /nfs/dbraw/zinc/27/72/07/432277207.db2.gz UORBGIYWFXPSSN-NVXWUHKLSA-N 1 0 305.418 3.410 10 0 DGAERO Cc1sc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1C ZINC000173527688 432284536 /nfs/dbraw/zinc/28/45/36/432284536.db2.gz OZRFXXDFYSXMLQ-ABAIWWIYSA-N 1 0 323.506 3.026 10 0 DGAERO COc1ccc(C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H](C)C2CC2)cc1 ZINC000248401488 432284506 /nfs/dbraw/zinc/28/45/06/432284506.db2.gz ZQKVGGOVNOZXFU-XHDPSFHLSA-N 1 0 317.351 3.219 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(N(CC)CC)s1 ZINC000248402224 432285152 /nfs/dbraw/zinc/28/51/52/432285152.db2.gz UPXRWCQLOUELEJ-CABCVRRESA-N 1 0 322.522 3.048 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1 ZINC000248393675 432285171 /nfs/dbraw/zinc/28/51/71/432285171.db2.gz LZODMNCMAAPKEN-MAUKXSAKSA-N 1 0 309.413 3.329 10 0 DGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCCOC1 ZINC000191632421 432286505 /nfs/dbraw/zinc/28/65/05/432286505.db2.gz DIOSSSBIHZHQGK-JQWIXIFHSA-N 1 0 314.223 3.287 10 0 DGAERO O[C@H](C[NH+]1CCC(c2ccncc2)CC1)c1cc(F)ccc1F ZINC000191647256 432287746 /nfs/dbraw/zinc/28/77/46/432287746.db2.gz GJZGYTAIDGIMEY-GOSISDBHSA-N 1 0 318.367 3.273 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)s1 ZINC000183569161 432303720 /nfs/dbraw/zinc/30/37/20/432303720.db2.gz NBGBUJIDQXGMOB-JTQLQIEISA-N 1 0 320.380 3.471 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@@H]3CCCC[C@H]3C)CCO2)n1 ZINC000248447397 432292261 /nfs/dbraw/zinc/29/22/61/432292261.db2.gz CZQBQRWNKZRNSB-JLSDUUJJSA-N 1 0 305.466 3.027 10 0 DGAERO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc(F)c(Cl)c1 ZINC000183449786 432295149 /nfs/dbraw/zinc/29/51/49/432295149.db2.gz HOQAWWZMQQAVLI-JTQLQIEISA-N 1 0 321.783 3.431 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2sc(C3CCCC3)nc2C)C1 ZINC000173709782 432295519 /nfs/dbraw/zinc/29/55/19/432295519.db2.gz BAMBYSFVDSOOAB-ZDUSSCGKSA-N 1 0 321.490 3.181 10 0 DGAERO CC[C@@H]1CCC[C@@H](C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000248490865 432296953 /nfs/dbraw/zinc/29/69/53/432296953.db2.gz NQNMQRKODDXUOH-VAMGGRTRSA-N 1 0 321.553 3.305 10 0 DGAERO COCc1noc([C@H](C)[N@@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)n1 ZINC000183493336 432297744 /nfs/dbraw/zinc/29/77/44/432297744.db2.gz OLSKHLQAMMMNMM-GJZGRUSLSA-N 1 0 315.417 3.383 10 0 DGAERO Cc1nc(C[C@@H]2CCC[N@H+](CCc3ccc(F)c(F)c3)C2)no1 ZINC000152033952 432298137 /nfs/dbraw/zinc/29/81/37/432298137.db2.gz ITAGYRSJAFLBQG-AWEZNQCLSA-N 1 0 321.371 3.153 10 0 DGAERO CCOc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)ccc1OC(F)F ZINC000191756513 432298672 /nfs/dbraw/zinc/29/86/72/432298672.db2.gz TVHDZLBOUUONPW-DGCLKSJQSA-N 1 0 315.360 3.201 10 0 DGAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCCN2CCOCC2)o1 ZINC000173796602 432300043 /nfs/dbraw/zinc/30/00/43/432300043.db2.gz PSFZBQINHIFNCH-KRWDZBQOSA-N 1 0 306.450 3.091 10 0 DGAERO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)c1ccc(F)cc1F ZINC000248546823 432300113 /nfs/dbraw/zinc/30/01/13/432300113.db2.gz FVEUSJDZNIHBFQ-SJCJKPOMSA-N 1 0 309.356 3.039 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)cn1 ZINC000128428664 431993627 /nfs/dbraw/zinc/99/36/27/431993627.db2.gz JDRWZVHYFPXCJY-IBGZPJMESA-N 1 0 318.424 3.472 10 0 DGAERO COc1ccccc1/C=C/C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000102419650 431994031 /nfs/dbraw/zinc/99/40/31/431994031.db2.gz WAABFFLVUFRPHW-YXMGTMDOSA-N 1 0 300.402 3.194 10 0 DGAERO COc1ccc2oc(C[N@@H+]3CC[C@@H](c4cnn(C)c4)C3)cc2c1 ZINC000128552394 431996392 /nfs/dbraw/zinc/99/63/92/431996392.db2.gz UMFRTALTJUGJFM-CYBMUJFWSA-N 1 0 311.385 3.164 10 0 DGAERO CC(C)NC(=O)CCN1CCc2c(Cl)cc(Cl)cc2C1 ZINC000128744913 431999037 /nfs/dbraw/zinc/99/90/37/431999037.db2.gz IPSTXTILIWKCES-UHFFFAOYSA-N 1 0 315.244 3.266 10 0 DGAERO Cc1cc2occ(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c2cc1C ZINC000248571899 432302947 /nfs/dbraw/zinc/30/29/47/432302947.db2.gz MPSRVIIERBNLFN-HUUCEWRRSA-N 1 0 312.413 3.358 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)OC(C)C)cc1 ZINC000183155405 432263343 /nfs/dbraw/zinc/26/33/43/432263343.db2.gz KKSVVDPGRIQHGY-CQSZACIVSA-N 1 0 315.417 3.173 10 0 DGAERO c1cc([C@H]2CCC[N@H+]2CCO[C@H]2CCCCO2)cc2c1OCO2 ZINC000248582564 432302977 /nfs/dbraw/zinc/30/29/77/432302977.db2.gz PACMBHXVUCKSLX-QAPCUYQASA-N 1 0 319.401 3.095 10 0 DGAERO Cc1cscc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248050649 432264215 /nfs/dbraw/zinc/26/42/15/432264215.db2.gz NTWABWKBYZVFNY-CVEARBPZSA-N 1 0 300.427 3.232 10 0 DGAERO CCc1oc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1C ZINC000248074672 432265478 /nfs/dbraw/zinc/26/54/78/432265478.db2.gz QWWAQPGCMLRAMV-QAPCUYQASA-N 1 0 312.413 3.326 10 0 DGAERO CCOc1ccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248054874 432267334 /nfs/dbraw/zinc/26/73/34/432267334.db2.gz XFUOQTNOJHWOPW-QFBILLFUSA-N 1 0 319.445 3.091 10 0 DGAERO C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000191987659 432320352 /nfs/dbraw/zinc/32/03/52/432320352.db2.gz YIXXDXNMFHLZCD-RHSMWYFYSA-N 1 0 302.418 3.036 10 0 DGAERO CC[C@H](NC(=O)C[NH2+][C@H](C)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000248851613 432323920 /nfs/dbraw/zinc/32/39/20/432323920.db2.gz HAYIXXYMYCKFTI-UHOFOFEASA-N 1 0 324.852 3.064 10 0 DGAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000249709562 432355181 /nfs/dbraw/zinc/35/51/81/432355181.db2.gz COVXAAJEQKQFRX-YJBOKZPZSA-N 1 0 316.445 3.091 10 0 DGAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000248894098 432326787 /nfs/dbraw/zinc/32/67/87/432326787.db2.gz SXRIJRJXKJHKJJ-XLWVJDPXSA-N 1 0 306.425 3.500 10 0 DGAERO CC(C)N(C)c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cn1 ZINC000248891314 432327193 /nfs/dbraw/zinc/32/71/93/432327193.db2.gz SCPUZBPGRAWPJJ-PKOBYXMFSA-N 1 0 317.477 3.053 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1Cl ZINC000174196344 432328417 /nfs/dbraw/zinc/32/84/17/432328417.db2.gz YCLGXVQFSBYIDU-UONOGXRCSA-N 1 0 318.852 3.393 10 0 DGAERO Cc1cc2cc([C@H](C)[NH2+][C@@H]3CCC(=O)N(C)C3)oc2cc1C ZINC000152371130 432328730 /nfs/dbraw/zinc/32/87/30/432328730.db2.gz ZFRBXHGJOAUUHC-DZGCQCFKSA-N 1 0 300.402 3.321 10 0 DGAERO CC(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248946935 432330650 /nfs/dbraw/zinc/33/06/50/432330650.db2.gz ZKJRXFFZYMNPSN-LZLYRXPVSA-N 1 0 317.477 3.090 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2ccc(C)o2)C1 ZINC000174231875 432331297 /nfs/dbraw/zinc/33/12/97/432331297.db2.gz NDNZVWBKCJDWJZ-JKSUJKDBSA-N 1 0 319.449 3.309 10 0 DGAERO Cc1cc(C)n(-c2ccc(C[N@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)cc2)n1 ZINC000248995261 432332497 /nfs/dbraw/zinc/33/24/97/432332497.db2.gz GOBMCBMHNBLXFL-CCWDJLKJSA-N 1 0 313.445 3.223 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2c(C)noc2C)C12CCOCC2 ZINC000249022700 432334359 /nfs/dbraw/zinc/33/43/59/432334359.db2.gz QWTFCISRKNKWNW-ARFHVFGLSA-N 1 0 322.449 3.306 10 0 DGAERO Brc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)o1 ZINC000249061225 432336308 /nfs/dbraw/zinc/33/63/08/432336308.db2.gz PRBXFGLIGATQOF-TUAOUCFPSA-N 1 0 300.196 3.089 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000249092621 432337797 /nfs/dbraw/zinc/33/77/97/432337797.db2.gz KYATWUGCVSIJLH-BHIYHBOVSA-N 1 0 302.462 3.056 10 0 DGAERO CC[N@H+](C[C@H](O)COC(C)(C)C)[C@H](C)c1cccc(OC)c1 ZINC000249736677 432355493 /nfs/dbraw/zinc/35/54/93/432355493.db2.gz FSIHTRFNKSJTDT-ZBFHGGJFSA-N 1 0 309.450 3.254 10 0 DGAERO CCC(=O)CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000249115354 432339739 /nfs/dbraw/zinc/33/97/39/432339739.db2.gz WGTJZNZPYCMJDF-WMZOPIPTSA-N 1 0 302.462 3.341 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC[C@@H]1C ZINC000249133329 432339797 /nfs/dbraw/zinc/33/97/97/432339797.db2.gz DIJUMHWJTPJOFC-XHDPSFHLSA-N 1 0 321.371 3.212 10 0 DGAERO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000249156321 432340975 /nfs/dbraw/zinc/34/09/75/432340975.db2.gz WWWGFZAUEIABPB-AVGNSLFASA-N 1 0 319.474 3.245 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@H]1C ZINC000249230351 432343391 /nfs/dbraw/zinc/34/33/91/432343391.db2.gz VNAQGKCQLOTVFH-RHSMWYFYSA-N 1 0 313.401 3.126 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249299812 432344668 /nfs/dbraw/zinc/34/46/68/432344668.db2.gz NSYJMBWALXHISP-OWSLCNJRSA-N 1 0 306.494 3.392 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1C ZINC000249332499 432346370 /nfs/dbraw/zinc/34/63/70/432346370.db2.gz XLWXSACLDCZIKJ-SOLBZPMBSA-N 1 0 321.509 3.329 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)Cc2ccccc2)C12CCOCC2 ZINC000249432878 432347694 /nfs/dbraw/zinc/34/76/94/432347694.db2.gz KDHVFUUZLSLXFJ-BHIYHBOVSA-N 1 0 317.473 3.429 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccnn1C ZINC000192251677 432350055 /nfs/dbraw/zinc/35/00/55/432350055.db2.gz NSRJTOPHYWNQHY-MRVPVSSYSA-N 1 0 300.225 3.095 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000248602695 432304332 /nfs/dbraw/zinc/30/43/32/432304332.db2.gz OHBZDXPKKSUIJK-ZWUHOBOKSA-N 1 0 324.852 3.063 10 0 DGAERO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2Cc3ccccc3[C@H]2O)o1 ZINC000248613955 432306944 /nfs/dbraw/zinc/30/69/44/432306944.db2.gz JKTCZRFTJKYEOH-YQVWRLOYSA-N 1 0 313.397 3.221 10 0 DGAERO CCCC[C@@H](CC)C[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000183614371 432307783 /nfs/dbraw/zinc/30/77/83/432307783.db2.gz AYSMTVQBHKVUQI-GOEBONIOSA-N 1 0 308.470 3.273 10 0 DGAERO CCOC[C@@H]1CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000183602050 432307829 /nfs/dbraw/zinc/30/78/29/432307829.db2.gz GPISGFLNYYQMHK-SNVBAGLBSA-N 1 0 308.369 3.329 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(CC)o2)C12CCOCC2 ZINC000248624696 432308831 /nfs/dbraw/zinc/30/88/31/432308831.db2.gz COFWXJKRJCLPPW-RRQGHBQHSA-N 1 0 307.434 3.467 10 0 DGAERO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000248639817 432309377 /nfs/dbraw/zinc/30/93/77/432309377.db2.gz XTMFBCGGIJIBRB-DLBZAZTESA-N 1 0 319.376 3.436 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)nc2)C12CCOCC2 ZINC000248638085 432309852 /nfs/dbraw/zinc/30/98/52/432309852.db2.gz LVSIAMXIMUAHBE-BPLDGKMQSA-N 1 0 324.852 3.360 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@@H](CO)C(C)(C)C)s1 ZINC000183616325 432310150 /nfs/dbraw/zinc/31/01/50/432310150.db2.gz ZFDXVYVQSIGQEI-JTQLQIEISA-N 1 0 310.385 3.309 10 0 DGAERO COc1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1Cl ZINC000248642965 432310237 /nfs/dbraw/zinc/31/02/37/432310237.db2.gz DLNMEEVDBYVSPZ-YPMHNXCESA-N 1 0 323.824 3.049 10 0 DGAERO Cc1nnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)n1C1CC1 ZINC000191886418 432311380 /nfs/dbraw/zinc/31/13/80/432311380.db2.gz QXYXJBSQFMSLMO-FUHWJXTLSA-N 1 0 310.445 3.422 10 0 DGAERO COc1ncccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000248740094 432314592 /nfs/dbraw/zinc/31/45/92/432314592.db2.gz QAYQZFPZROKCRN-ZWKOTPCHSA-N 1 0 312.413 3.178 10 0 DGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248725428 432315080 /nfs/dbraw/zinc/31/50/80/432315080.db2.gz CSUWIWSWHHBPFZ-XAYKYTGQSA-N 1 0 305.418 3.312 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000248730115 432315109 /nfs/dbraw/zinc/31/51/09/432315109.db2.gz MLEPLVDIVRPDRR-ONGXEEELSA-N 1 0 321.412 3.385 10 0 DGAERO CCc1cnc(CC[NH2+][C@H]2CCc3c(cccc3OC)C2)s1 ZINC000192443798 432375637 /nfs/dbraw/zinc/37/56/37/432375637.db2.gz MQAIKSOOAFDJPB-AWEZNQCLSA-N 1 0 316.470 3.404 10 0 DGAERO Cn1c2ccc(C[NH2+]CCc3ccc(F)cc3)cc2sc1=O ZINC000192453003 432376080 /nfs/dbraw/zinc/37/60/80/432376080.db2.gz SBVGFOLGAIYGMO-UHFFFAOYSA-N 1 0 316.401 3.071 10 0 DGAERO C[C@@H](C[S@@](C)=O)[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000184314365 432378383 /nfs/dbraw/zinc/37/83/83/432378383.db2.gz REIJTNAGXRUPER-RCDICMHDSA-N 1 0 313.466 3.231 10 0 DGAERO C[C@H](Cc1cccs1)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192462525 432378700 /nfs/dbraw/zinc/37/87/00/432378700.db2.gz UBUHZMMLSSHRDK-LLVKDONJSA-N 1 0 318.467 3.382 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000192555048 432387476 /nfs/dbraw/zinc/38/74/76/432387476.db2.gz DSWOVUDYIJLYSQ-MLGOLLRUSA-N 1 0 304.365 3.038 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(F)cccc1Cl ZINC000175041414 432391848 /nfs/dbraw/zinc/39/18/48/432391848.db2.gz MZQLRFDKZXSEPC-QWHCGFSZSA-N 1 0 324.827 3.107 10 0 DGAERO CCCOc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000153421773 432407493 /nfs/dbraw/zinc/40/74/93/432407493.db2.gz CRFAXUMPQFSDCC-SZMVWBNQSA-N 1 0 316.445 3.012 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H](C)c1ccccc1F ZINC000253548832 432398361 /nfs/dbraw/zinc/39/83/61/432398361.db2.gz KMSFBHMGQZSTSX-OAGGEKHMSA-N 1 0 318.436 3.405 10 0 DGAERO CC[C@H]1C[N@H+](CCCOc2ccccc2)CCN1CC(F)F ZINC000153311824 432399522 /nfs/dbraw/zinc/39/95/22/432399522.db2.gz ZHEMFJKPFOXZSF-HNNXBMFYSA-N 1 0 312.404 3.117 10 0 DGAERO Cn1cccc1[C@H]1CCCCN1CC(=O)Nc1ccccc1F ZINC000175122541 432401523 /nfs/dbraw/zinc/40/15/23/432401523.db2.gz UJKVEYSLBMAEDB-QGZVFWFLSA-N 1 0 315.392 3.330 10 0 DGAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cncs1 ZINC000184536433 432402626 /nfs/dbraw/zinc/40/26/26/432402626.db2.gz GCDUTHKAPJAEON-KRWDZBQOSA-N 1 0 303.475 3.389 10 0 DGAERO C[N@H+](CCCNC(=O)[C@H]1C[C@H]1c1ccco1)Cc1ccccc1 ZINC000255026120 432406045 /nfs/dbraw/zinc/40/60/45/432406045.db2.gz LTGQKQNFLCLBOC-SJORKVTESA-N 1 0 312.413 3.021 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000153413561 432406070 /nfs/dbraw/zinc/40/60/70/432406070.db2.gz KPGUKIAPOFUVTK-SJLPKXTDSA-N 1 0 316.489 3.399 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2cccc(Cl)c2)C1 ZINC000249759814 432356162 /nfs/dbraw/zinc/35/61/62/432356162.db2.gz KKVYJOKMZOBRNY-DOMZBBRYSA-N 1 0 309.841 3.185 10 0 DGAERO CC[NH+](CC)CCCNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000184112503 432356501 /nfs/dbraw/zinc/35/65/01/432356501.db2.gz GCNWHSWIBQWJMU-UHFFFAOYSA-N 1 0 315.417 3.112 10 0 DGAERO CCC1(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CCCCC1 ZINC000184110150 432356525 /nfs/dbraw/zinc/35/65/25/432356525.db2.gz ZLNJLOVFEOOVQO-MRXNPFEDSA-N 1 0 322.493 3.059 10 0 DGAERO Cc1csc([C@H]2CCC[N@H+](C[C@@H](O)Cc3ccccc3)C2)n1 ZINC000249807366 432358097 /nfs/dbraw/zinc/35/80/97/432358097.db2.gz BOMOKMAXSUUKMI-IRXDYDNUSA-N 1 0 316.470 3.235 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](C[C@@H](O)Cc3ccccc3)C2)n1 ZINC000249807375 432358548 /nfs/dbraw/zinc/35/85/48/432358548.db2.gz BOMOKMAXSUUKMI-SJORKVTESA-N 1 0 316.470 3.235 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCCC(C)C)C2)n1 ZINC000249871941 432360322 /nfs/dbraw/zinc/36/03/22/432360322.db2.gz KFKVZQPZCRIZGX-HUUCEWRRSA-N 1 0 323.506 3.182 10 0 DGAERO Clc1ccc(Br)c(CC[NH2+]Cc2cocn2)c1 ZINC000192334075 432360397 /nfs/dbraw/zinc/36/03/97/432360397.db2.gz CJXLFAVCEMWLJV-UHFFFAOYSA-N 1 0 315.598 3.423 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1c(F)cccc1F ZINC000249862976 432360719 /nfs/dbraw/zinc/36/07/19/432360719.db2.gz GULYTFPPMWFGDG-BXUZGUMPSA-N 1 0 324.396 3.334 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000174659231 432362261 /nfs/dbraw/zinc/36/22/61/432362261.db2.gz VHCJWGPIJVZXAZ-UHFFFAOYSA-N 1 0 322.497 3.223 10 0 DGAERO COc1cccc(NC(=O)CC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000174658097 432363065 /nfs/dbraw/zinc/36/30/65/432363065.db2.gz SOVLGZWZOGPLKU-UHFFFAOYSA-N 1 0 316.376 3.295 10 0 DGAERO O[C@H](CNc1ccnc2cc(Cl)ccc21)C[NH+]1CCCCC1 ZINC000174684855 432364017 /nfs/dbraw/zinc/36/40/17/432364017.db2.gz GAHODKFDGVSBGX-CQSZACIVSA-N 1 0 319.836 3.147 10 0 DGAERO CC(C)N(C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21)C(C)C ZINC000192366919 432364919 /nfs/dbraw/zinc/36/49/19/432364919.db2.gz WMXOBRRNEAMBLW-MRXNPFEDSA-N 1 0 304.434 3.005 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)NC1CCCCC1 ZINC000192362007 432365080 /nfs/dbraw/zinc/36/50/80/432365080.db2.gz IASFNXKGHDLKGX-GUYCJALGSA-N 1 0 316.445 3.197 10 0 DGAERO Cc1ccc([C@H]2CCCCN2C(=O)NC[C@@H](C)[N@H+](C)C2CC2)o1 ZINC000174734025 432367271 /nfs/dbraw/zinc/36/72/71/432367271.db2.gz VITRMMDJHKDVAV-CZUORRHYSA-N 1 0 319.449 3.307 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C(F)F)cc2)C[N@@H+]1C1CC1 ZINC000184226466 432368089 /nfs/dbraw/zinc/36/80/89/432368089.db2.gz VYIYKHDFPBRYFJ-SMDDNHRTSA-N 1 0 323.387 3.049 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1cc(Cl)nc(C2CC2)n1 ZINC000251618271 432369422 /nfs/dbraw/zinc/36/94/22/432369422.db2.gz DUODVNLBGYBLDI-YPMHNXCESA-N 1 0 306.841 3.070 10 0 DGAERO C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c2ccccc21 ZINC000251885686 432371570 /nfs/dbraw/zinc/37/15/70/432371570.db2.gz VZNQHLBWZBCBFP-RVKKMQEKSA-N 1 0 315.461 3.218 10 0 DGAERO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccnn1C ZINC000192936255 432430605 /nfs/dbraw/zinc/43/06/05/432430605.db2.gz GWOGGHMJUAIGDB-RYRKJORJSA-N 1 0 312.461 3.124 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2CSC)C1 ZINC000184782813 432431543 /nfs/dbraw/zinc/43/15/43/432431543.db2.gz RNZUJXJNEXCTCV-AWEZNQCLSA-N 1 0 307.463 3.155 10 0 DGAERO Fc1cc(Cl)cc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261612437 432435284 /nfs/dbraw/zinc/43/52/84/432435284.db2.gz CEOULSWPXDHVSL-INIZCTEOSA-N 1 0 305.784 3.021 10 0 DGAERO Fc1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261612441 432435805 /nfs/dbraw/zinc/43/58/05/432435805.db2.gz CEOULSWPXDHVSL-MRXNPFEDSA-N 1 0 305.784 3.021 10 0 DGAERO CSCc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000184814328 432436390 /nfs/dbraw/zinc/43/63/90/432436390.db2.gz VELCRVODTSZZND-ZFWWWQNUSA-N 1 0 321.490 3.496 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000184855729 432439570 /nfs/dbraw/zinc/43/95/70/432439570.db2.gz MFNSQQARZRVMTO-ZWKOTPCHSA-N 1 0 300.446 3.191 10 0 DGAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000261685493 432440903 /nfs/dbraw/zinc/44/09/03/432440903.db2.gz CCDIGRYZULMRQF-KBPBESRZSA-N 1 0 306.409 3.067 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c(F)c1 ZINC000193022324 432441082 /nfs/dbraw/zinc/44/10/82/432441082.db2.gz MKAQLKNIBHXQCO-CYBMUJFWSA-N 1 0 322.424 3.132 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1scnc1C1CCCC1 ZINC000184862292 432441658 /nfs/dbraw/zinc/44/16/58/432441658.db2.gz SKTLDMQODFYLDF-TZMCWYRMSA-N 1 0 319.474 3.109 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc2c(c1)CCCC2 ZINC000261701512 432441816 /nfs/dbraw/zinc/44/18/16/432441816.db2.gz TYUNZPSLWREXTF-CCZBSFLLSA-N 1 0 312.457 3.201 10 0 DGAERO CC(C)C[C@@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000184894171 432442981 /nfs/dbraw/zinc/44/29/81/432442981.db2.gz GZFXVWKYOGJDLP-CVEARBPZSA-N 1 0 317.477 3.405 10 0 DGAERO CC1CC[NH+](CCCCNC(=O)N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000175511395 432443093 /nfs/dbraw/zinc/44/30/93/432443093.db2.gz OEJWLKOYOMBQJD-IRXDYDNUSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1C ZINC000193058408 432444324 /nfs/dbraw/zinc/44/43/24/432444324.db2.gz XLWXSACLDCZIKJ-NUJGCVRESA-N 1 0 321.509 3.329 10 0 DGAERO Cc1c2ccccc2oc1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261741558 432446299 /nfs/dbraw/zinc/44/62/99/432446299.db2.gz NWWOLUDSVXSKQU-UHFFFAOYSA-N 1 0 322.408 3.385 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000261737712 432447044 /nfs/dbraw/zinc/44/70/44/432447044.db2.gz YYQSXDVQBXLELP-VEDRIOIWSA-N 1 0 304.478 3.225 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1cc(F)cc2cccnc21 ZINC000261755465 432447629 /nfs/dbraw/zinc/44/76/29/432447629.db2.gz MIOZTPCKKFIDEF-UHFFFAOYSA-N 1 0 323.415 3.377 10 0 DGAERO COc1cccc([C@@H](C)[NH+]2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000175568444 432449059 /nfs/dbraw/zinc/44/90/59/432449059.db2.gz IRINIDZHQOGKDV-OAHLLOKOSA-N 1 0 316.445 3.091 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1ccccc1OC(F)F ZINC000261757714 432449451 /nfs/dbraw/zinc/44/94/51/432449451.db2.gz MNWSNNLTQPEAHT-UHFFFAOYSA-N 1 0 320.383 3.291 10 0 DGAERO CCC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1 ZINC000184971197 432451123 /nfs/dbraw/zinc/45/11/23/432451123.db2.gz ZICYVNVBZCIQFU-UHFFFAOYSA-N 1 0 310.401 3.487 10 0 DGAERO c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261839509 432453818 /nfs/dbraw/zinc/45/38/18/432453818.db2.gz AGMVJKNWNBLLJN-BRWVUGGUSA-N 1 0 316.470 3.148 10 0 DGAERO CC[C@@H](C)[C@H](C)[N@H+](Cc1cc(-c2cnn(C)c2)no1)C1CC1 ZINC000184997994 432453990 /nfs/dbraw/zinc/45/39/90/432453990.db2.gz YPNBIEDXALSNRF-OLZOCXBDSA-N 1 0 302.422 3.474 10 0 DGAERO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cc(-c3cnn(C)c3)no2)cc1 ZINC000185008246 432455395 /nfs/dbraw/zinc/45/53/95/432455395.db2.gz KGQODEVBUKPDSL-OAHLLOKOSA-N 1 0 324.428 3.447 10 0 DGAERO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185011717 432456093 /nfs/dbraw/zinc/45/60/93/432456093.db2.gz GQCVASWJXUEXGR-IGCXYCKISA-N 1 0 300.406 3.228 10 0 DGAERO CC(C)C[C@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185024140 432457329 /nfs/dbraw/zinc/45/73/29/432457329.db2.gz UPLBYXPRKNJOPE-CQSZACIVSA-N 1 0 302.422 3.333 10 0 DGAERO CC(C)C[C@@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185024124 432457672 /nfs/dbraw/zinc/45/76/72/432457672.db2.gz UPLBYXPRKNJOPE-AWEZNQCLSA-N 1 0 302.422 3.333 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C/C=C\c3cccc(F)c3)CC[C@@H]21 ZINC000255597064 432412713 /nfs/dbraw/zinc/41/27/13/432412713.db2.gz IXBCUCGBULLITN-RGTXRHFESA-N 1 0 316.420 3.172 10 0 DGAERO COc1ccc(-c2noc(C[NH2+][C@@H](C)C3CCCC3)n2)cc1 ZINC000184625675 432414638 /nfs/dbraw/zinc/41/46/38/432414638.db2.gz RBMDLXORPNYFDD-LBPRGKRZSA-N 1 0 301.390 3.414 10 0 DGAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1F)CC2 ZINC000184656938 432418016 /nfs/dbraw/zinc/41/80/16/432418016.db2.gz FDUQEPPHQYUQSE-KOLCDFICSA-N 1 0 308.788 3.045 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1C ZINC000192812785 432418566 /nfs/dbraw/zinc/41/85/66/432418566.db2.gz BIESKZKHAGVNTB-FUHWJXTLSA-N 1 0 310.445 3.413 10 0 DGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000192837882 432420470 /nfs/dbraw/zinc/42/04/70/432420470.db2.gz GFFWPMBJYRGIMR-KBPBESRZSA-N 1 0 319.445 3.376 10 0 DGAERO CN(CCC(Cl)(Cl)Cl)[C@@H]1CCCc2c1cnn2C ZINC000184682969 432421008 /nfs/dbraw/zinc/42/10/08/432421008.db2.gz JPGPJSMEZAKHBH-SNVBAGLBSA-N 1 0 310.656 3.490 10 0 DGAERO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCSC ZINC000175291943 432421587 /nfs/dbraw/zinc/42/15/87/432421587.db2.gz PRWWEFVQTPFFFU-KRWDZBQOSA-N 1 0 320.502 3.110 10 0 DGAERO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccco1 ZINC000153586635 432422384 /nfs/dbraw/zinc/42/23/84/432422384.db2.gz ICWXQDJKLFQTSI-OAHLLOKOSA-N 1 0 312.413 3.483 10 0 DGAERO C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccco1 ZINC000153586543 432423149 /nfs/dbraw/zinc/42/31/49/432423149.db2.gz ICWXQDJKLFQTSI-HNNXBMFYSA-N 1 0 312.413 3.483 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000185208426 432477070 /nfs/dbraw/zinc/47/70/70/432477070.db2.gz BWXXWVIWNWXMRO-KSZLIROESA-N 1 0 306.494 3.249 10 0 DGAERO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262299314 432479602 /nfs/dbraw/zinc/47/96/02/432479602.db2.gz ADLPYYHJMONYTF-YDHLFZDLSA-N 1 0 300.402 3.340 10 0 DGAERO CCC1(CC)CN([C@@H](C)c2cccc(OC)c2)CC[S@@]1=O ZINC000185226709 432479703 /nfs/dbraw/zinc/47/97/03/432479703.db2.gz JYVZPIVYZJBMLW-QKKBWIMNSA-N 1 0 309.475 3.379 10 0 DGAERO C[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc(Cl)s1 ZINC000175950275 432480254 /nfs/dbraw/zinc/48/02/54/432480254.db2.gz VXTZGWGMXVCJNS-NSHDSACASA-N 1 0 312.866 3.202 10 0 DGAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000185228666 432480667 /nfs/dbraw/zinc/48/06/67/432480667.db2.gz ZVPUPGYFWVNFSG-MRXNPFEDSA-N 1 0 321.852 3.063 10 0 DGAERO CC1CC[NH+](CCNC(=O)C/C=C/c2cccc(F)c2)CC1 ZINC000175990381 432483775 /nfs/dbraw/zinc/48/37/75/432483775.db2.gz GTKRTASYIVUJHX-HWKANZROSA-N 1 0 304.409 3.077 10 0 DGAERO CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@H](C)c2cccc(Cl)c2)C1(C)C ZINC000262395799 432484091 /nfs/dbraw/zinc/48/40/91/432484091.db2.gz BVXLBNBIVORQLQ-WHCBVINPSA-N 1 0 324.852 3.050 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000262409205 432484163 /nfs/dbraw/zinc/48/41/63/432484163.db2.gz SHCUPWRMWOAJRV-FZCLSBEQSA-N 1 0 300.446 3.027 10 0 DGAERO CC(C)OCc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262404599 432484628 /nfs/dbraw/zinc/48/46/28/432484628.db2.gz ANIQLGOHYIOHPG-JQHSSLGASA-N 1 0 316.445 3.471 10 0 DGAERO Cc1cccc2c(NCCNC(=O)c3cccnc3)c(C)c[nH+]c12 ZINC000185273360 432485530 /nfs/dbraw/zinc/48/55/30/432485530.db2.gz QCKXSSBYXASFFR-UHFFFAOYSA-N 1 0 320.396 3.089 10 0 DGAERO Cc1oc2nc(C[N@@H+](C)C3CCC(C)CC3)nc(N)c2c1C ZINC000154258986 432485689 /nfs/dbraw/zinc/48/56/89/432485689.db2.gz JWEQWVAHBAXSSG-UHFFFAOYSA-N 1 0 302.422 3.432 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)NC2(CC)CCC2)c1 ZINC000176017992 432486796 /nfs/dbraw/zinc/48/67/96/432486796.db2.gz AOBLBEXOEGJWGF-UHFFFAOYSA-N 1 0 303.450 3.270 10 0 DGAERO O=C(Nc1ccc(OCC2CC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262485108 432487834 /nfs/dbraw/zinc/48/78/34/432487834.db2.gz TXFANPUJAUSMEM-OLMNPRSZSA-N 1 0 314.429 3.335 10 0 DGAERO O=C(CN1CCC[C@@H](C(F)(F)F)C1)N(C1CC1)C1CCCC1 ZINC000193700593 432491056 /nfs/dbraw/zinc/49/10/56/432491056.db2.gz KXZLGYNPJFAJTC-GFCCVEGCSA-N 1 0 318.383 3.194 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000176340444 432512669 /nfs/dbraw/zinc/51/26/69/432512669.db2.gz MEWDZYULPGCVNG-UHFFFAOYSA-N 1 0 314.385 3.238 10 0 DGAERO Cc1ccc(Cl)cc1NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262573362 432491931 /nfs/dbraw/zinc/49/19/31/432491931.db2.gz XRKAJDQOOWMKRU-SUYBPPKGSA-N 1 0 322.836 3.119 10 0 DGAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000193699994 432492095 /nfs/dbraw/zinc/49/20/95/432492095.db2.gz KYJLHHVWWZXBHZ-RDBSUJKOSA-N 1 0 320.399 3.298 10 0 DGAERO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262575575 432492408 /nfs/dbraw/zinc/49/24/08/432492408.db2.gz JIYNDHXUMIYLTG-ZMSDIMECSA-N 1 0 308.853 3.323 10 0 DGAERO CSCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176119491 432494328 /nfs/dbraw/zinc/49/43/28/432494328.db2.gz IXEVFRVZJAUTTG-WBVHZDCISA-N 1 0 320.502 3.299 10 0 DGAERO C[C@H]1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193746708 432494949 /nfs/dbraw/zinc/49/49/49/432494949.db2.gz SIQHGBYRSWZXMS-FUHWJXTLSA-N 1 0 321.509 3.330 10 0 DGAERO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H](CO)CC(C)C)c2cc1C ZINC000185371495 432496378 /nfs/dbraw/zinc/49/63/78/432496378.db2.gz UUEFBTGPGFHSBA-MRXNPFEDSA-N 1 0 317.429 3.249 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000262717087 432499183 /nfs/dbraw/zinc/49/91/83/432499183.db2.gz WDCHANACQOAXMG-CXAGYDPISA-N 1 0 323.506 3.490 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000176334552 432512942 /nfs/dbraw/zinc/51/29/42/432512942.db2.gz GGMNKXNFDDJVBW-OAHLLOKOSA-N 1 0 300.406 3.116 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000176258762 432504682 /nfs/dbraw/zinc/50/46/82/432504682.db2.gz ROBMUVGPMIQPHR-GFCCVEGCSA-N 1 0 313.804 3.427 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+]CCSCc1ccccc1 ZINC000193900682 432509410 /nfs/dbraw/zinc/50/94/10/432509410.db2.gz BADFADRKHHAPIR-UHFFFAOYSA-N 1 0 303.475 3.102 10 0 DGAERO O=C(CC1CCC1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262976244 432511080 /nfs/dbraw/zinc/51/10/80/432511080.db2.gz SQJAYRCDTCFUDP-MRXNPFEDSA-N 1 0 318.486 3.409 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000154628180 432511887 /nfs/dbraw/zinc/51/18/87/432511887.db2.gz HVBGSGCIWUUICO-WBVHZDCISA-N 1 0 320.477 3.389 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)cc1 ZINC000185047579 432459909 /nfs/dbraw/zinc/45/99/09/432459909.db2.gz HZHAHRMZCPDSOV-ZDUSSCGKSA-N 1 0 310.401 3.488 10 0 DGAERO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2C(C)C)c1 ZINC000185045114 432460224 /nfs/dbraw/zinc/46/02/24/432460224.db2.gz LIVVHBIQPYHVSD-ZWKOTPCHSA-N 1 0 302.462 3.437 10 0 DGAERO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185044423 432460283 /nfs/dbraw/zinc/46/02/83/432460283.db2.gz GLERMWZQRPBOAU-QGZVFWFLSA-N 1 0 311.389 3.053 10 0 DGAERO Cn1cc(-c2cc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)on2)cn1 ZINC000185057390 432460623 /nfs/dbraw/zinc/46/06/23/432460623.db2.gz SMIFCJKCWYZASK-SFHVURJKSA-N 1 0 322.412 3.186 10 0 DGAERO CCc1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)ccc1C ZINC000261905776 432460675 /nfs/dbraw/zinc/46/06/75/432460675.db2.gz PMEQSJONLYWFIA-JTDSTZFVSA-N 1 0 316.445 3.028 10 0 DGAERO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261948951 432462907 /nfs/dbraw/zinc/46/29/07/432462907.db2.gz NZTWGUVVMJYKAF-QXAKKESOSA-N 1 0 316.489 3.019 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000175783731 432465221 /nfs/dbraw/zinc/46/52/21/432465221.db2.gz KJAHWEXAXIHTRA-UHFFFAOYSA-N 1 0 311.857 3.213 10 0 DGAERO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3)C2)cc1 ZINC000155314267 432549189 /nfs/dbraw/zinc/54/91/89/432549189.db2.gz QYZQHRFMTVVCJI-QGZVFWFLSA-N 1 0 324.424 3.432 10 0 DGAERO CCC(C)(CC)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194431168 432550700 /nfs/dbraw/zinc/55/07/00/432550700.db2.gz NIIILIJLJLDAKI-QGZVFWFLSA-N 1 0 317.477 3.386 10 0 DGAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C/C=C/c1cccc(F)c1 ZINC000176828374 432556130 /nfs/dbraw/zinc/55/61/30/432556130.db2.gz MDVVFJFNAMRDIG-UABRLCRWSA-N 1 0 304.409 3.028 10 0 DGAERO Cc1cccc([C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C(C)(C)C)c1 ZINC000176856351 432559015 /nfs/dbraw/zinc/55/90/15/432559015.db2.gz DDIOFEQIYDTOMD-DLBZAZTESA-N 1 0 317.477 3.428 10 0 DGAERO CCSc1cccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000186162506 432563662 /nfs/dbraw/zinc/56/36/62/432563662.db2.gz DHRLHFIGALQDKW-UHFFFAOYSA-N 1 0 306.475 3.099 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000194638136 432563664 /nfs/dbraw/zinc/56/36/64/432563664.db2.gz NJQRIGALQUEUIW-CQSZACIVSA-N 1 0 315.442 3.024 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000194635193 432563769 /nfs/dbraw/zinc/56/37/69/432563769.db2.gz GWRVUFUCKUSTTR-ZDUSSCGKSA-N 1 0 316.376 3.300 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)CSc2ccccc2Cl)C1 ZINC000194625193 432564043 /nfs/dbraw/zinc/56/40/43/432564043.db2.gz ZGGXUKDZCDUNGZ-GFCCVEGCSA-N 1 0 312.866 3.033 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)CCCO1 ZINC000176912750 432564044 /nfs/dbraw/zinc/56/40/44/432564044.db2.gz GPKCPFYGXADTSE-ZDUSSCGKSA-N 1 0 308.447 3.071 10 0 DGAERO Cc1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000176379253 432516556 /nfs/dbraw/zinc/51/65/56/432516556.db2.gz ZUHPTTVZYHWTNF-HNNXBMFYSA-N 1 0 316.474 3.397 10 0 DGAERO Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCCc2ccc(F)cc2)o1 ZINC000194022091 432517515 /nfs/dbraw/zinc/51/75/15/432517515.db2.gz CVONHRCKILULKE-KGLIPLIRSA-N 1 0 318.392 3.125 10 0 DGAERO COc1c(C)cc(CN(C)C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1C ZINC000263098522 432520467 /nfs/dbraw/zinc/52/04/67/432520467.db2.gz ZEPSIGMSOMGRSQ-VQIMIIECSA-N 1 0 318.461 3.178 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2cccc(Cl)c2Cl)C1 ZINC000194048598 432520700 /nfs/dbraw/zinc/52/07/00/432520700.db2.gz BLACUTZMGMOQKV-LBPRGKRZSA-N 1 0 315.244 3.136 10 0 DGAERO CN(C)c1ncccc1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000154792874 432521149 /nfs/dbraw/zinc/52/11/49/432521149.db2.gz MMBJGDIOIBPZGY-QGZVFWFLSA-N 1 0 313.470 3.268 10 0 DGAERO CCc1nc(Cl)c(C)c(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000154906161 432526840 /nfs/dbraw/zinc/52/68/40/432526840.db2.gz RNTLHSBLTQRVNQ-LBPRGKRZSA-N 1 0 322.884 3.454 10 0 DGAERO COC[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000194112242 432527145 /nfs/dbraw/zinc/52/71/45/432527145.db2.gz AYGUGMMIHIMCRB-JQFCIGGWSA-N 1 0 310.869 3.346 10 0 DGAERO COc1ccc(F)cc1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000176486690 432528883 /nfs/dbraw/zinc/52/88/83/432528883.db2.gz KXURQLQLYFSWHQ-GFCCVEGCSA-N 1 0 317.360 3.456 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1F)CC2 ZINC000154939321 432529705 /nfs/dbraw/zinc/52/97/05/432529705.db2.gz YIKGROOMVZEJLG-DOMZBBRYSA-N 1 0 320.387 3.174 10 0 DGAERO CCCOc1ccc(Cl)cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176520335 432531590 /nfs/dbraw/zinc/53/15/90/432531590.db2.gz JPXAVDNVVBCLAG-CQSZACIVSA-N 1 0 322.836 3.049 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1OCC(F)F ZINC000155110949 432539054 /nfs/dbraw/zinc/53/90/54/432539054.db2.gz NIFBDGTVJCYBKT-RYUDHWBXSA-N 1 0 312.360 3.095 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000194314151 432541201 /nfs/dbraw/zinc/54/12/01/432541201.db2.gz ASCVGBFPWKEQSM-NSHDSACASA-N 1 0 315.339 3.311 10 0 DGAERO COCC1=CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000185882276 432541417 /nfs/dbraw/zinc/54/14/17/432541417.db2.gz XJVPGRDTRPZCGC-UHFFFAOYSA-N 1 0 314.198 3.367 10 0 DGAERO CCc1cnc(CC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)s1 ZINC000194344595 432543556 /nfs/dbraw/zinc/54/35/56/432543556.db2.gz JGLADGJXRFPFQQ-UHFFFAOYSA-N 1 0 312.442 3.428 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000194351067 432543748 /nfs/dbraw/zinc/54/37/48/432543748.db2.gz IKGXLXZEKXIJLF-IUODEOHRSA-N 1 0 300.406 3.114 10 0 DGAERO C[C@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000194384365 432546238 /nfs/dbraw/zinc/54/62/38/432546238.db2.gz GKRVEOQIFAPQJI-APWZRJJASA-N 1 0 310.441 3.079 10 0 DGAERO C[C@@H]1C[N@H+](Cc2csc3ccccc23)C[C@@H]1N1CCOCC1 ZINC000177276770 432606831 /nfs/dbraw/zinc/60/68/31/432606831.db2.gz DGHMIPHTLFURDP-PBHICJAKSA-N 1 0 316.470 3.054 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccccc1-n1cccn1 ZINC000177286452 432607513 /nfs/dbraw/zinc/60/75/13/432607513.db2.gz BFWVMACJVKUZFL-HNAYVOBHSA-N 1 0 313.445 3.464 10 0 DGAERO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000156809767 432608998 /nfs/dbraw/zinc/60/89/98/432608998.db2.gz MEZDOBWDOTXPNT-INIZCTEOSA-N 1 0 303.446 3.426 10 0 DGAERO CCc1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000195171633 432610080 /nfs/dbraw/zinc/61/00/80/432610080.db2.gz XPLWNJYJHZFSKX-UHFFFAOYSA-N 1 0 315.461 3.019 10 0 DGAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000195179378 432610254 /nfs/dbraw/zinc/61/02/54/432610254.db2.gz PFMPBEWVYQOSNV-RBUKOAKNSA-N 1 0 320.477 3.067 10 0 DGAERO Clc1ccc(Cl)c(OCCN2CC[NH+](C3CC3)CC2)c1 ZINC000195220928 432613107 /nfs/dbraw/zinc/61/31/07/432613107.db2.gz XJNHHJZPAVRARV-UHFFFAOYSA-N 1 0 315.244 3.152 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1coc(-c2ccccc2)n1 ZINC000157188807 432615880 /nfs/dbraw/zinc/61/58/80/432615880.db2.gz BKFQMFZZWBIQQT-OAHLLOKOSA-N 1 0 315.417 3.048 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC000176921645 432565532 /nfs/dbraw/zinc/56/55/32/432565532.db2.gz WQXAZBGYBSRGMT-OAHLLOKOSA-N 1 0 322.474 3.319 10 0 DGAERO C[C@@]1(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)CCCS1 ZINC000155652960 432566031 /nfs/dbraw/zinc/56/60/31/432566031.db2.gz RUZKXZQDRAJLGU-KGLIPLIRSA-N 1 0 301.521 3.307 10 0 DGAERO CC[NH+](CC)CCSCc1nnc(-c2ccccc2)n1C ZINC000176944065 432567729 /nfs/dbraw/zinc/56/77/29/432567729.db2.gz XWWKFWYVKVXIDI-UHFFFAOYSA-N 1 0 304.463 3.057 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCCc2ccccc2)C12CCOCC2 ZINC000186199405 432568256 /nfs/dbraw/zinc/56/82/56/432568256.db2.gz XMWVGXWLMCOVBP-ZWKOTPCHSA-N 1 0 303.446 3.183 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C12CCOCC2 ZINC000186195776 432568584 /nfs/dbraw/zinc/56/85/84/432568584.db2.gz OAKIHXLVKVJRBF-HZPDHXFCSA-N 1 0 309.837 3.404 10 0 DGAERO C[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CS(C)(=O)=O ZINC000176958323 432568830 /nfs/dbraw/zinc/56/88/30/432568830.db2.gz SLBKKJSXSWAHKB-IAQYHMDHSA-N 1 0 315.866 3.061 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)c1cccc(F)c1 ZINC000176993576 432572313 /nfs/dbraw/zinc/57/23/13/432572313.db2.gz RCYFDRNPUBMDCI-MRXNPFEDSA-N 1 0 306.425 3.046 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(SC)ccc1C ZINC000176986911 432572700 /nfs/dbraw/zinc/57/27/00/432572700.db2.gz MNYYMPDNGYOLRO-AWEZNQCLSA-N 1 0 306.475 3.273 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2ccccc2Cl)C1 ZINC000155811723 432575794 /nfs/dbraw/zinc/57/57/94/432575794.db2.gz QRGXJCGEFSYKBJ-CJNGLKHVSA-N 1 0 308.853 3.118 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C12CCOCC2 ZINC000186276640 432576323 /nfs/dbraw/zinc/57/63/23/432576323.db2.gz HKEMQBJMUYQIIF-HZPDHXFCSA-N 1 0 311.372 3.029 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C12CCOCC2 ZINC000186286105 432577711 /nfs/dbraw/zinc/57/77/11/432577711.db2.gz YDKHWTYYNKJLEK-OALUTQOASA-N 1 0 315.457 3.239 10 0 DGAERO C[C@H](CCC1CC1)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000186284979 432578188 /nfs/dbraw/zinc/57/81/88/432578188.db2.gz XYESPTCBSRQXDL-OAHLLOKOSA-N 1 0 300.446 3.460 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(C)cc2C)C12CCOCC2 ZINC000186279166 432578488 /nfs/dbraw/zinc/57/84/88/432578488.db2.gz LPAOFMRKFRBTOB-RBUKOAKNSA-N 1 0 317.473 3.410 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCc2ccccc2Cl)C12CCOCC2 ZINC000186294819 432579146 /nfs/dbraw/zinc/57/91/46/432579146.db2.gz ONUFEEKJFOWNNK-IRXDYDNUSA-N 1 0 323.864 3.446 10 0 DGAERO Cc1cccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c1C ZINC000155888794 432580337 /nfs/dbraw/zinc/58/03/37/432580337.db2.gz JESCAEQKQABVEH-INIZCTEOSA-N 1 0 310.445 3.413 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000177085927 432583726 /nfs/dbraw/zinc/58/37/26/432583726.db2.gz SRRZEABOMHNWMK-DGCLKSJQSA-N 1 0 323.824 3.049 10 0 DGAERO COc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1Cl ZINC000177096736 432584298 /nfs/dbraw/zinc/58/42/98/432584298.db2.gz WRIBGCMNXDELKD-WCQYABFASA-N 1 0 323.824 3.049 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCCNc2ccccc2)C12CCOCC2 ZINC000186345878 432585288 /nfs/dbraw/zinc/58/52/88/432585288.db2.gz BDVOQCKTSKGQHV-ROUUACIJSA-N 1 0 318.461 3.052 10 0 DGAERO CSc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000177108662 432586527 /nfs/dbraw/zinc/58/65/27/432586527.db2.gz CWXDNJMIQDUAGH-TZMCWYRMSA-N 1 0 305.447 3.109 10 0 DGAERO CCOc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(C)c1 ZINC000177142443 432590851 /nfs/dbraw/zinc/59/08/51/432590851.db2.gz QXAVUIRZBSJLBI-LSDHHAIUSA-N 1 0 317.433 3.094 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1c(C)cccc1OC ZINC000194971466 432591513 /nfs/dbraw/zinc/59/15/13/432591513.db2.gz SLBHTVWLHPETEZ-LSDHHAIUSA-N 1 0 317.433 3.094 10 0 DGAERO c1csc([C@@H]2CN(CCSCc3ccccc3)CCO2)n1 ZINC000186420573 432592417 /nfs/dbraw/zinc/59/24/17/432592417.db2.gz CSGOZDGJDAXBPB-HNNXBMFYSA-N 1 0 320.483 3.450 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2c(C)cccc2C)C12CCOCC2 ZINC000186422041 432594452 /nfs/dbraw/zinc/59/44/52/432594452.db2.gz ZVDMXUFCWPTCEA-RBUKOAKNSA-N 1 0 317.473 3.410 10 0 DGAERO Cc1oc2ccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)cc2c1C ZINC000186436521 432594816 /nfs/dbraw/zinc/59/48/16/432594816.db2.gz LHJICPIEGYVXJK-AWEZNQCLSA-N 1 0 301.390 3.217 10 0 DGAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc2ncccc21 ZINC000195086330 432599955 /nfs/dbraw/zinc/59/99/55/432599955.db2.gz AWFQAHNDUZAYJB-OAHLLOKOSA-N 1 0 313.445 3.475 10 0 DGAERO COc1cc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)ccc1O ZINC000177262310 432604274 /nfs/dbraw/zinc/60/42/74/432604274.db2.gz BNMWOCMMTOBDES-CQSZACIVSA-N 1 0 323.396 3.437 10 0 DGAERO O=C(c1cc2cc(Cl)ccc2o1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195320970 432618992 /nfs/dbraw/zinc/61/89/92/432618992.db2.gz PCPYVARIAQZQCP-CYBMUJFWSA-N 1 0 304.777 3.006 10 0 DGAERO CCCN(C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157395074 432619362 /nfs/dbraw/zinc/61/93/62/432619362.db2.gz FBWHLBIGRHWATR-GOSISDBHSA-N 1 0 303.450 3.093 10 0 DGAERO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc2ncccc21 ZINC000177405071 432619719 /nfs/dbraw/zinc/61/97/19/432619719.db2.gz VHZGNSDVVBFUJH-UHFFFAOYSA-N 1 0 323.440 3.372 10 0 DGAERO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186690646 432622338 /nfs/dbraw/zinc/62/23/38/432622338.db2.gz BKYMJXJWAGCTLN-JOQOYGCGSA-N 1 0 317.477 3.179 10 0 DGAERO Cc1cnc(CC[N@H+](C)CCC(=O)NCC2CCCCC2)s1 ZINC000157650190 432627410 /nfs/dbraw/zinc/62/74/10/432627410.db2.gz GWZWNMMIUSCTAC-UHFFFAOYSA-N 1 0 323.506 3.012 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)c(C)c1 ZINC000177496371 432630466 /nfs/dbraw/zinc/63/04/66/432630466.db2.gz IFJJOZRBBXIPID-DLBZAZTESA-N 1 0 301.434 3.394 10 0 DGAERO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CC1(CO)CC1 ZINC000186778785 432630841 /nfs/dbraw/zinc/63/08/41/432630841.db2.gz PBARTVHVLBJHJX-LLVKDONJSA-N 1 0 303.324 3.351 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)c(C)c1 ZINC000177496354 432630939 /nfs/dbraw/zinc/63/09/39/432630939.db2.gz IFJJOZRBBXIPID-IAGOWNOFSA-N 1 0 301.434 3.394 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000195660560 432632758 /nfs/dbraw/zinc/63/27/58/432632758.db2.gz OAJVWVVZQBTFSZ-OLZOCXBDSA-N 1 0 306.372 3.052 10 0 DGAERO CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000186875972 432635375 /nfs/dbraw/zinc/63/53/75/432635375.db2.gz UXJCPQWKUQKFMT-SJORKVTESA-N 1 0 313.445 3.434 10 0 DGAERO CCc1oc2ccccc2c1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000158029980 432636132 /nfs/dbraw/zinc/63/61/32/432636132.db2.gz FZCXVDSSQCCNTE-AWEZNQCLSA-N 1 0 301.308 3.350 10 0 DGAERO CN(Cc1coc(-c2ccc(F)cc2)n1)CC1([NH+](C)C)CCC1 ZINC000186924952 432637602 /nfs/dbraw/zinc/63/76/02/432637602.db2.gz DONUKTNHMFFLCG-UHFFFAOYSA-N 1 0 317.408 3.397 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1F ZINC000158503233 432648220 /nfs/dbraw/zinc/64/82/20/432648220.db2.gz FEOCBQQBSQKZKG-ZDUSSCGKSA-N 1 0 307.413 3.194 10 0 DGAERO CCOCCN1CC[N@H+](CCCCc2ccccc2)C[C@H]1CC ZINC000186971868 432640237 /nfs/dbraw/zinc/64/02/37/432640237.db2.gz NUXKTRMTJXUILR-HXUWFJFHSA-N 1 0 318.505 3.442 10 0 DGAERO CC(C)[NH2+]C[C@H](O)COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000215993221 432646528 /nfs/dbraw/zinc/64/65/28/432646528.db2.gz NACJSVRGPPMZRS-UIBIWLFHSA-N 1 0 303.446 3.328 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCN(c3cccnn3)CC2)C1 ZINC000187112019 432647086 /nfs/dbraw/zinc/64/70/86/432647086.db2.gz KRQOWQVLLJHTAS-ICSRJNTNSA-N 1 0 322.456 3.109 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+][C@H]1Cc3ccccc3[C@@H]1O)CCC2 ZINC000178360969 282046476 /nfs/dbraw/zinc/04/64/76/282046476.db2.gz WFMMGVGVVBJTFX-PMPSAXMXSA-N 1 0 300.427 3.077 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000177704600 432652315 /nfs/dbraw/zinc/65/23/15/432652315.db2.gz ABGQBLPRJIDDDQ-GOEBONIOSA-N 1 0 314.433 3.214 10 0 DGAERO Cc1ccc([C@@H](CNc2cc[nH+]c(C)c2)N2CCOCC2)s1 ZINC000274325085 432653174 /nfs/dbraw/zinc/65/31/74/432653174.db2.gz DOAASNUYEQNNPO-MRXNPFEDSA-N 1 0 317.458 3.245 10 0 DGAERO O=C(c1ccc(Oc2ccccc2)o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000158891240 432663142 /nfs/dbraw/zinc/66/31/42/432663142.db2.gz QBDNGCIMUPZAEP-OKILXGFUSA-N 1 0 312.369 3.038 10 0 DGAERO COC[C@H](C)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000187424971 432665016 /nfs/dbraw/zinc/66/50/16/432665016.db2.gz WCBKZQZCRYDRMZ-KGLIPLIRSA-N 1 0 308.491 3.484 10 0 DGAERO CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(OCC)cc2)CC1 ZINC000177829079 432666561 /nfs/dbraw/zinc/66/65/61/432666561.db2.gz DONPICUXYAZEJN-OAHLLOKOSA-N 1 0 318.461 3.468 10 0 DGAERO CCOc1ccc(C(=O)N2CCC([NH2+]C(CC)CC)CC2)cc1 ZINC000177829543 432667238 /nfs/dbraw/zinc/66/72/38/432667238.db2.gz NRJJZAMQSKXXJK-UHFFFAOYSA-N 1 0 318.461 3.468 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2csc(Br)c2)C1 ZINC000187939766 432695646 /nfs/dbraw/zinc/69/56/46/432695646.db2.gz PZHWXUAMZZDPQL-GWCFXTLKSA-N 1 0 318.280 3.494 10 0 DGAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(F)cc1Br ZINC000188064560 432702476 /nfs/dbraw/zinc/70/24/76/432702476.db2.gz YDWUWLUQIIDVBL-JTQLQIEISA-N 1 0 316.214 3.401 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000188076683 432703813 /nfs/dbraw/zinc/70/38/13/432703813.db2.gz XYNPBBYTNCZWNN-CHWSQXEVSA-N 1 0 303.425 3.328 10 0 DGAERO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCSC1 ZINC000226402812 432706133 /nfs/dbraw/zinc/70/61/33/432706133.db2.gz FNQKUXGWYUFJJP-BBRMVZONSA-N 1 0 316.511 3.269 10 0 DGAERO COC[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)c(Br)c1 ZINC000188148901 432707967 /nfs/dbraw/zinc/70/79/67/432707967.db2.gz VAMIQAWYISJRRK-GHMZBOCLSA-N 1 0 318.230 3.391 10 0 DGAERO C[NH2+]CCc1ccccc1C(=O)Nc1nc(C(C)C)cs1 ZINC000228502454 432719339 /nfs/dbraw/zinc/71/93/39/432719339.db2.gz HISANMDKQVRUMT-UHFFFAOYSA-N 1 0 303.431 3.281 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000187616691 432673584 /nfs/dbraw/zinc/67/35/84/432673584.db2.gz ZZUJWVYXNQZAHE-VQIMIIECSA-N 1 0 320.477 3.094 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000159201754 432673787 /nfs/dbraw/zinc/67/37/87/432673787.db2.gz LIYLDCXWIAZWNE-QFBILLFUSA-N 1 0 310.441 3.345 10 0 DGAERO CCN(CC)C(=O)[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1 ZINC000187648396 432675246 /nfs/dbraw/zinc/67/52/46/432675246.db2.gz WKFHQWKCMWWGMW-SJORKVTESA-N 1 0 318.461 3.143 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)o1 ZINC000159214999 432675994 /nfs/dbraw/zinc/67/59/94/432675994.db2.gz QQWWHUWSMPHVMX-PBHICJAKSA-N 1 0 314.429 3.192 10 0 DGAERO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(C)(C)OC)c1 ZINC000177934960 432676083 /nfs/dbraw/zinc/67/60/83/432676083.db2.gz LOEHZRXPJCDOAY-UHFFFAOYSA-N 1 0 320.477 3.350 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(C)cc2Br)C1 ZINC000159293757 432677597 /nfs/dbraw/zinc/67/75/97/432677597.db2.gz JDPFUUJNQLRBOH-AWEZNQCLSA-N 1 0 311.267 3.331 10 0 DGAERO COC[C@H](C)C[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000187703595 432678917 /nfs/dbraw/zinc/67/89/17/432678917.db2.gz XWYWKWNAVSRJHZ-CQSZACIVSA-N 1 0 311.853 3.260 10 0 DGAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cc2ccccc2s1 ZINC000177985454 432681741 /nfs/dbraw/zinc/68/17/41/432681741.db2.gz WFOXWKQFZORZTJ-NSHDSACASA-N 1 0 303.431 3.095 10 0 DGAERO CCCOc1ccc(C[NH2+][C@H](COC)C2CCOCC2)cc1 ZINC000187786857 432684819 /nfs/dbraw/zinc/68/48/19/432684819.db2.gz NJMRKQFVESWWSZ-GOSISDBHSA-N 1 0 307.434 3.007 10 0 DGAERO COC[C@H](C)C[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000187818776 432686943 /nfs/dbraw/zinc/68/69/43/432686943.db2.gz ZUQKGYIKEPPHAM-CQSZACIVSA-N 1 0 311.853 3.260 10 0 DGAERO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000187845014 432687788 /nfs/dbraw/zinc/68/77/88/432687788.db2.gz QDTSFBSHVGPLON-PBHICJAKSA-N 1 0 307.434 3.320 10 0 DGAERO COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000187844986 432688286 /nfs/dbraw/zinc/68/82/86/432688286.db2.gz QDTSFBSHVGPLON-YOEHRIQHSA-N 1 0 307.434 3.320 10 0 DGAERO Cc1nccnc1[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188444770 432725808 /nfs/dbraw/zinc/72/58/08/432725808.db2.gz PLKHFDPHTAMXQC-VNQPRFMTSA-N 1 0 302.466 3.089 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc2c(c1)CCC2 ZINC000178050745 432689534 /nfs/dbraw/zinc/68/95/34/432689534.db2.gz MHCUGUDUUPHOQQ-AWEZNQCLSA-N 1 0 319.412 3.002 10 0 DGAERO CC1(C)Cc2occc2[C@@H]([NH2+]Cc2cccnc2-n2cncn2)C1 ZINC000178051235 432689591 /nfs/dbraw/zinc/68/95/91/432689591.db2.gz KWLHWDVAEDSQGI-HNNXBMFYSA-N 1 0 323.400 3.059 10 0 DGAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187851877 432690630 /nfs/dbraw/zinc/69/06/30/432690630.db2.gz JJDVJSMFZHDQPH-ZFWWWQNUSA-N 1 0 305.418 3.284 10 0 DGAERO CCCc1nc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cs1 ZINC000178512308 432746738 /nfs/dbraw/zinc/74/67/38/432746738.db2.gz PMVQIGGMBPZZKY-GFCCVEGCSA-N 1 0 310.463 3.259 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000131954226 292666470 /nfs/dbraw/zinc/66/64/70/292666470.db2.gz WUZJWNOBJXLWGV-NJAFHUGGSA-N 1 0 321.509 3.471 10 0 DGAERO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178579914 432753234 /nfs/dbraw/zinc/75/32/34/432753234.db2.gz HOOHBUINDPZIPJ-GJZGRUSLSA-N 1 0 324.490 3.169 10 0 DGAERO Cc1nc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)s1 ZINC000178572424 432754110 /nfs/dbraw/zinc/75/41/10/432754110.db2.gz PYBQBYWXXWKEAO-GFCCVEGCSA-N 1 0 317.458 3.010 10 0 DGAERO CC(C)C[C@](C)(C[NH3+])NC(=O)CCCc1ccc(F)c(F)c1 ZINC000236675431 432754875 /nfs/dbraw/zinc/75/48/75/432754875.db2.gz JKCHYQQKDSATLQ-QGZVFWFLSA-N 1 0 312.404 3.167 10 0 DGAERO C[C@@H](C[N@H+](C)CC1(CO)CC1)c1cccc(Br)c1 ZINC000188960489 432756261 /nfs/dbraw/zinc/75/62/61/432756261.db2.gz RCFAPYNFSTXILO-LBPRGKRZSA-N 1 0 312.251 3.257 10 0 DGAERO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccs1 ZINC000178616275 432758110 /nfs/dbraw/zinc/75/81/10/432758110.db2.gz AGKVTZNKFIVDEW-HSBZDZAISA-N 1 0 309.479 3.229 10 0 DGAERO O=C1[C@H]([NH2+]C2CCCCCC2)CCN1Cc1ccc(F)cc1 ZINC000189043558 432760487 /nfs/dbraw/zinc/76/04/87/432760487.db2.gz ZJHLBECXQMELIS-QGZVFWFLSA-N 1 0 304.409 3.239 10 0 DGAERO O=C1[C@H]([NH2+][C@H]2CCc3ccccc32)CCN1Cc1ccc(F)cc1 ZINC000189046102 432761096 /nfs/dbraw/zinc/76/10/96/432761096.db2.gz KFJGDPXAJZRVRP-RBUKOAKNSA-N 1 0 324.399 3.204 10 0 DGAERO CCc1cccc(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000178692380 432767063 /nfs/dbraw/zinc/76/70/63/432767063.db2.gz LWCQWZLPTNNVHW-UHFFFAOYSA-N 1 0 314.473 3.268 10 0 DGAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000178716179 432769485 /nfs/dbraw/zinc/76/94/85/432769485.db2.gz UTAXDOSXGZAGKZ-GDBMZVCRSA-N 1 0 304.434 3.103 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]cc2-c2ccc(C)s2)C1 ZINC000189200326 432769669 /nfs/dbraw/zinc/76/96/69/432769669.db2.gz VSKDGJSYDDNQKB-ZDUSSCGKSA-N 1 0 317.458 3.266 10 0 DGAERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1C ZINC000189255446 432773152 /nfs/dbraw/zinc/77/31/52/432773152.db2.gz HTFJCNMTSKFJRM-DOMZBBRYSA-N 1 0 310.825 3.025 10 0 DGAERO CO[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)CC[C@@H]1C ZINC000189352006 432780805 /nfs/dbraw/zinc/78/08/05/432780805.db2.gz JBXUXOZGGJGROS-SQWLQELKSA-N 1 0 315.417 3.463 10 0 DGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)o1 ZINC000275544344 432729116 /nfs/dbraw/zinc/72/91/16/432729116.db2.gz MXVXYNCQDKWJJF-DYWXZXKOSA-N 1 0 315.417 3.146 10 0 DGAERO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc2ccccc2s1 ZINC000188493722 432729379 /nfs/dbraw/zinc/72/93/79/432729379.db2.gz FACQQQNFFKPKJP-SNVBAGLBSA-N 1 0 300.383 3.444 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000178426741 432735397 /nfs/dbraw/zinc/73/53/97/432735397.db2.gz MICVWSBZZVONLC-JKSUJKDBSA-N 1 0 306.450 3.069 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C2(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000188706112 432740572 /nfs/dbraw/zinc/74/05/72/432740572.db2.gz GFDLHYGCDMUJSP-GDBMZVCRSA-N 1 0 318.436 3.090 10 0 DGAERO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000188763970 432744170 /nfs/dbraw/zinc/74/41/70/432744170.db2.gz GVKFUTZCPKRFAC-CHWSQXEVSA-N 1 0 314.385 3.273 10 0 DGAERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@H](C)O3)c2C1 ZINC000162193991 432816004 /nfs/dbraw/zinc/81/60/04/432816004.db2.gz GDHWEOWJSPTFSZ-GUYCJALGSA-N 1 0 302.418 3.164 10 0 DGAERO CS[C@@H](C)CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162314865 432819779 /nfs/dbraw/zinc/81/97/79/432819779.db2.gz UTHBTMOTWXVXLY-MAUKXSAKSA-N 1 0 320.502 3.299 10 0 DGAERO Cc1ccc(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)o1 ZINC000162381080 432820975 /nfs/dbraw/zinc/82/09/75/432820975.db2.gz JCADFVMUAPYSEY-LJQANCHMSA-N 1 0 312.413 3.373 10 0 DGAERO CCC[C@H](C(=O)Nc1ccc(OC2CCC2)c(F)c1)[NH+](C)C ZINC000162406557 432822918 /nfs/dbraw/zinc/82/29/18/432822918.db2.gz OLBCSGQRSYKHPJ-OAHLLOKOSA-N 1 0 308.397 3.426 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245383786 432825696 /nfs/dbraw/zinc/82/56/96/432825696.db2.gz RKSDDWIQCYOMRA-BRWVUGGUSA-N 1 0 318.848 3.140 10 0 DGAERO CSCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1F ZINC000245407848 432826409 /nfs/dbraw/zinc/82/64/09/432826409.db2.gz DEFYAUPEZCOTES-MLGOLLRUSA-N 1 0 324.465 3.101 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000245397818 432826972 /nfs/dbraw/zinc/82/69/72/432826972.db2.gz QMSVYFUZSNOCQM-JHJVBQTASA-N 1 0 310.388 3.120 10 0 DGAERO C[C@H]1CC[N@H+](CC(=O)N2CCCCC2)[C@H]1c1cccc(F)c1 ZINC000245410722 432827588 /nfs/dbraw/zinc/82/75/88/432827588.db2.gz SMLDVFJVLNCIPJ-KBXCAEBGSA-N 1 0 304.409 3.221 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000245435682 432830622 /nfs/dbraw/zinc/83/06/22/432830622.db2.gz TZHRCBMIQJEOLP-CHWSQXEVSA-N 1 0 323.403 3.139 10 0 DGAERO CC[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245433828 432830953 /nfs/dbraw/zinc/83/09/53/432830953.db2.gz PLOFGTOMDWDXNM-WOJBJXKFSA-N 1 0 315.505 3.240 10 0 DGAERO CCC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C[C@@H]1CCCCO1 ZINC000245464316 432834125 /nfs/dbraw/zinc/83/41/25/432834125.db2.gz XUWKONFLQWYKMM-ZACQAIPSSA-N 1 0 310.482 3.057 10 0 DGAERO CCc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C2)n1 ZINC000245460905 432834231 /nfs/dbraw/zinc/83/42/31/432834231.db2.gz FODDDYBYMUBPQX-ZIAGYGMSSA-N 1 0 323.506 3.140 10 0 DGAERO CC(C)C[C@@H](C[NH3+])Nc1ncc(Cl)cc1Br ZINC000162819320 432836088 /nfs/dbraw/zinc/83/60/88/432836088.db2.gz RKBKXUOEDYAETQ-VIFPVBQESA-N 1 0 306.635 3.283 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000245499807 432837402 /nfs/dbraw/zinc/83/74/02/432837402.db2.gz YWTCULCGLKLSST-GUYCJALGSA-N 1 0 317.433 3.083 10 0 DGAERO CCC[C@@H](C(=O)NCc1ccc(F)cc1C(F)(F)F)[NH+](C)C ZINC000161582891 432787484 /nfs/dbraw/zinc/78/74/84/432787484.db2.gz PPKXNIOZXLMKCO-ZDUSSCGKSA-N 1 0 320.330 3.191 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1F ZINC000161805941 432798690 /nfs/dbraw/zinc/79/86/90/432798690.db2.gz HRWDAABZGLJKKE-MFKMUULPSA-N 1 0 308.788 3.126 10 0 DGAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000161828349 432799502 /nfs/dbraw/zinc/79/95/02/432799502.db2.gz CCXFQQPHXOZDOF-QFBILLFUSA-N 1 0 313.445 3.417 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2(c3c(F)cccc3F)CCCC2)C1 ZINC000237865661 432803312 /nfs/dbraw/zinc/80/33/12/432803312.db2.gz NEIUVWHQDLTPAE-OLZOCXBDSA-N 1 0 322.399 3.020 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000237892201 432803394 /nfs/dbraw/zinc/80/33/94/432803394.db2.gz CHWWFPABCBFJEX-BBRMVZONSA-N 1 0 320.864 3.395 10 0 DGAERO [NH3+][C@@H](CC(=O)N(C[C@@H]1CCCO1)C1CCCC1)c1ccccc1 ZINC000237868938 432803538 /nfs/dbraw/zinc/80/35/38/432803538.db2.gz ISQNRLKEZJMKHV-ROUUACIJSA-N 1 0 316.445 3.027 10 0 DGAERO COC[C@H](C)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000189605893 432803788 /nfs/dbraw/zinc/80/37/88/432803788.db2.gz MJNIQKASBMXQOT-OAHLLOKOSA-N 1 0 310.869 3.130 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2)C1 ZINC000237923239 432804109 /nfs/dbraw/zinc/80/41/09/432804109.db2.gz LFRGMCXYKVELMU-KGLIPLIRSA-N 1 0 320.396 3.091 10 0 DGAERO Cc1cccc(C2(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)CCCC2)c1 ZINC000237930337 432804632 /nfs/dbraw/zinc/80/46/32/432804632.db2.gz SRSMIRZFJAHFSI-WMZOPIPTSA-N 1 0 314.473 3.441 10 0 DGAERO O=C(NCC1(c2ccccc2)CCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238006214 432808481 /nfs/dbraw/zinc/80/84/81/432808481.db2.gz GFUCHJXPEHOEMA-NJAFHUGGSA-N 1 0 312.457 3.145 10 0 DGAERO CCc1cccc(CN2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000189670836 432809279 /nfs/dbraw/zinc/80/92/79/432809279.db2.gz CSHSGLMOKYBHHE-OAHLLOKOSA-N 1 0 315.442 3.309 10 0 DGAERO Cn1c(C[NH2+]C[C@H]2CCC(C)(C)O2)nc2cc(Cl)ccc21 ZINC000189718716 432812864 /nfs/dbraw/zinc/81/28/64/432812864.db2.gz CLJIJHPJDYIUTG-GFCCVEGCSA-N 1 0 307.825 3.274 10 0 DGAERO CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000189731404 432814607 /nfs/dbraw/zinc/81/46/07/432814607.db2.gz NNOJAHPMJYXGHA-YMAMQOFZSA-N 1 0 311.466 3.434 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)O1 ZINC000189739880 432815862 /nfs/dbraw/zinc/81/58/62/432815862.db2.gz JVAMHSJUUVWJBD-LBPRGKRZSA-N 1 0 311.809 3.158 10 0 DGAERO Cc1cn2c(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)c(C)nc2s1 ZINC000245770564 432861679 /nfs/dbraw/zinc/86/16/79/432861679.db2.gz RRBLSSNLKDRZIM-DZGCQCFKSA-N 1 0 305.447 3.014 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000245774607 432862427 /nfs/dbraw/zinc/86/24/27/432862427.db2.gz SLCWTSABVQNVKF-XHDPSFHLSA-N 1 0 300.368 3.266 10 0 DGAERO CCCn1cc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cn1 ZINC000245779964 432862877 /nfs/dbraw/zinc/86/28/77/432862877.db2.gz UBMCLRPPJGPZDI-JLCFBVMHSA-N 1 0 319.474 3.224 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000245782709 432863327 /nfs/dbraw/zinc/86/33/27/432863327.db2.gz UOAKFGXKTCORNF-KXBFYZLASA-N 1 0 312.461 3.239 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@@H]2CCCO[C@H]21 ZINC000245853241 432865254 /nfs/dbraw/zinc/86/52/54/432865254.db2.gz GQERNUMODHIOHB-CGTJXYLNSA-N 1 0 311.429 3.166 10 0 DGAERO C[C@H](CCCc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245869884 432865941 /nfs/dbraw/zinc/86/59/41/432865941.db2.gz RESIMSDHILKJFC-MJGOQNOKSA-N 1 0 314.473 3.342 10 0 DGAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cccc(-n2cccn2)c1 ZINC000245878637 432867208 /nfs/dbraw/zinc/86/72/08/432867208.db2.gz KMABRXIDWQSRJK-VHKYSDTDSA-N 1 0 319.408 3.181 10 0 DGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)C2CCOCC2)C1 ZINC000245900157 432867839 /nfs/dbraw/zinc/86/78/39/432867839.db2.gz LBAYVKJUHGFWSL-HZPDHXFCSA-N 1 0 324.509 3.066 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC000245991971 432874030 /nfs/dbraw/zinc/87/40/30/432874030.db2.gz ILZVITAHBIGCHL-BBRMVZONSA-N 1 0 307.413 3.328 10 0 DGAERO C[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154610033 292684939 /nfs/dbraw/zinc/68/49/39/292684939.db2.gz GQZMOQIYKGHUOF-QGZVFWFLSA-N 1 0 314.473 3.342 10 0 DGAERO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc21)C(C)C ZINC000163051790 432841761 /nfs/dbraw/zinc/84/17/61/432841761.db2.gz RHGHMUWRQRBLGD-ZOBUZTSGSA-N 1 0 318.461 3.175 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245588049 432847276 /nfs/dbraw/zinc/84/72/76/432847276.db2.gz KDMSQICCGUKGJN-VUCTXSBTSA-N 1 0 312.404 3.115 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)c1ccccc1C ZINC000245583792 432848411 /nfs/dbraw/zinc/84/84/11/432848411.db2.gz ABJAYSNDFQRUQZ-BRWVUGGUSA-N 1 0 315.461 3.324 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@@H]3CCC[C@@H](C)C3)CC2)nn1 ZINC000245606710 432849328 /nfs/dbraw/zinc/84/93/28/432849328.db2.gz MPROOJJTRDZXSE-NVXWUHKLSA-N 1 0 302.466 3.123 10 0 DGAERO CCCCN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245624454 432850405 /nfs/dbraw/zinc/85/04/05/432850405.db2.gz GBTRYLUEJKSUII-SJORKVTESA-N 1 0 303.450 3.263 10 0 DGAERO CCN1CC[C@H]([NH2+]Cc2cc[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245619099 432850723 /nfs/dbraw/zinc/85/07/23/432850723.db2.gz WEPLMBNWNAHIJG-JKSUJKDBSA-N 1 0 322.815 3.127 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000163405819 432852541 /nfs/dbraw/zinc/85/25/41/432852541.db2.gz BFTXYZOZJXBYLM-AEFFLSMTSA-N 1 0 320.477 3.235 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245715035 432857384 /nfs/dbraw/zinc/85/73/84/432857384.db2.gz GSVWPSCOQUIMJC-MAUKXSAKSA-N 1 0 312.461 3.239 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000245708690 432857503 /nfs/dbraw/zinc/85/75/03/432857503.db2.gz CCLYYAZZGZFBGP-YGRLFVJLSA-N 1 0 311.788 3.180 10 0 DGAERO FC(F)Oc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000245717443 432858054 /nfs/dbraw/zinc/85/80/54/432858054.db2.gz HGJRPBMLAMJGGF-LBPRGKRZSA-N 1 0 316.779 3.221 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(-c2cccnc2)c1 ZINC000245729434 432859050 /nfs/dbraw/zinc/85/90/50/432859050.db2.gz JJNVOTDLYRKWTD-UZLBHIALSA-N 1 0 307.441 3.417 10 0 DGAERO Cc1cccc(C)c1OCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000155187143 292701416 /nfs/dbraw/zinc/70/14/16/292701416.db2.gz XZJRSAUCTQVIOW-UHFFFAOYSA-N 1 0 313.445 3.291 10 0 DGAERO O=C(Nc1nc(C2CC2)cs1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333109828 433033749 /nfs/dbraw/zinc/03/37/49/433033749.db2.gz GFUYZUFBMPUFDH-CYBMUJFWSA-N 1 0 320.462 3.016 10 0 DGAERO c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000341367672 433040397 /nfs/dbraw/zinc/04/03/97/433040397.db2.gz AEINZUYNLJUYCA-OKZBNKHCSA-N 1 0 315.461 3.081 10 0 DGAERO CC(C)c1scnc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333362531 433049944 /nfs/dbraw/zinc/04/99/44/433049944.db2.gz TVARNWQDCAJAOU-UHFFFAOYSA-N 1 0 322.478 3.264 10 0 DGAERO C[C@@H](NC(=O)N1CCC2(CC[NH2+]2)CC1)c1cc2ccccc2o1 ZINC000333295399 433047289 /nfs/dbraw/zinc/04/72/89/433047289.db2.gz PHLQXVKUCDYFQP-CYBMUJFWSA-N 1 0 313.401 3.031 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000333303597 433047702 /nfs/dbraw/zinc/04/77/02/433047702.db2.gz KPXPLEBJAHAGFJ-DOMZBBRYSA-N 1 0 302.422 3.083 10 0 DGAERO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000333337429 433048366 /nfs/dbraw/zinc/04/83/66/433048366.db2.gz PECGLXQDCXFVRF-LBPRGKRZSA-N 1 0 322.478 3.147 10 0 DGAERO C[C@H](C(=O)N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCCCC1 ZINC000172092965 289271246 /nfs/dbraw/zinc/27/12/46/289271246.db2.gz DUMWCOUYXIIVPW-CHWSQXEVSA-N 1 0 306.372 3.052 10 0 DGAERO COC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156618525 292732760 /nfs/dbraw/zinc/73/27/60/292732760.db2.gz RIIDZEDGWGORBZ-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH+]3CCC([C@H]4CCCO4)CC3)C2)cc1 ZINC000298260773 433070000 /nfs/dbraw/zinc/07/00/00/433070000.db2.gz FOQCZAQSHHQKCE-WOJBJXKFSA-N 1 0 314.473 3.152 10 0 DGAERO C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCC2)[C@H](c2ccco2)C1 ZINC000446618463 433075734 /nfs/dbraw/zinc/07/57/34/433075734.db2.gz VUFSNTQLLVWQOC-CABCVRRESA-N 1 0 319.449 3.247 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CN1Cc1ccccc1 ZINC000341472943 433079339 /nfs/dbraw/zinc/07/93/39/433079339.db2.gz AXWLSKOTBURNBW-VBYALHQYSA-N 1 0 316.489 3.443 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CCCC3(CCCC3)C2)CC1 ZINC000446687383 433082659 /nfs/dbraw/zinc/08/26/59/433082659.db2.gz LCAZJCRCZZHXLH-UHFFFAOYSA-N 1 0 321.509 3.474 10 0 DGAERO CCc1ncc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)o1 ZINC000453372517 433128682 /nfs/dbraw/zinc/12/86/82/433128682.db2.gz IQTVNMOJHQADTE-RHSMWYFYSA-N 1 0 300.402 3.495 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@@H](COCc2ccccc2)C(C)C)[nH]n1 ZINC000446937463 433132551 /nfs/dbraw/zinc/13/25/51/433132551.db2.gz DJJSJMPNWRHXLF-KXBFYZLASA-N 1 0 315.461 3.480 10 0 DGAERO Cc1csc([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)n1 ZINC000446957066 433135764 /nfs/dbraw/zinc/13/57/64/433135764.db2.gz KJOWLIXZEJVBSB-SNVBAGLBSA-N 1 0 309.460 3.066 10 0 DGAERO CCc1oc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1C ZINC000157317122 292743674 /nfs/dbraw/zinc/74/36/74/292743674.db2.gz BFIJOVOINWLSNE-HNNXBMFYSA-N 1 0 300.402 3.183 10 0 DGAERO C[C@H](CC[NH2+][C@H](C)c1ccc(F)cn1)NC(=O)OC(C)(C)C ZINC000221970193 289491465 /nfs/dbraw/zinc/49/14/65/289491465.db2.gz WJPFKZYKLUHYTL-VXGBXAGGSA-N 1 0 311.401 3.175 10 0 DGAERO C=Cn1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2ccnc2)cn1 ZINC000290576022 433102482 /nfs/dbraw/zinc/10/24/82/433102482.db2.gz UEVXQERKYKAZLH-OALUTQOASA-N 1 0 319.412 3.199 10 0 DGAERO Cc1ccc2c(c1)CN(C(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000361336175 433112461 /nfs/dbraw/zinc/11/24/61/433112461.db2.gz NBMRQGYOEFJUIP-LJQANCHMSA-N 1 0 308.425 3.010 10 0 DGAERO CC[C@@H]([NH2+][C@H](CC)c1ccc(Br)cc1)C(=O)NC ZINC000453418811 433170937 /nfs/dbraw/zinc/17/09/37/433170937.db2.gz VESSRTYWKWQQSX-CHWSQXEVSA-N 1 0 313.239 3.014 10 0 DGAERO C[C@@H](CCCC[NH3+])Nc1ncc(Br)cc1Cl ZINC000336680770 433176702 /nfs/dbraw/zinc/17/67/02/433176702.db2.gz XRIOHHOKCKOXNP-QMMMGPOBSA-N 1 0 306.635 3.427 10 0 DGAERO CC(C)[C@@H](CCO)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000336708058 433177247 /nfs/dbraw/zinc/17/72/47/433177247.db2.gz LYGSJRAYSHZDLM-GHMZBOCLSA-N 1 0 318.280 3.495 10 0 DGAERO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc4nc(C)ccc4c3)C2)c1 ZINC000290819675 433178335 /nfs/dbraw/zinc/17/83/35/433178335.db2.gz GRKQYUIRXPMMEG-GOSISDBHSA-N 1 0 306.413 3.495 10 0 DGAERO CCC(CC)n1ccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)n1 ZINC000361510320 433216889 /nfs/dbraw/zinc/21/68/89/433216889.db2.gz HFZHTLTZQWJOKN-SFHVURJKSA-N 1 0 321.465 3.014 10 0 DGAERO c1nc(NC[C@H]2CC23CCSCC3)cc(N2CCCCC2)n1 ZINC000420657566 433243801 /nfs/dbraw/zinc/24/38/01/433243801.db2.gz XABDFBASEMYPSY-CQSZACIVSA-N 1 0 318.490 3.412 10 0 DGAERO c1ccc(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cn2)nc1 ZINC000425474299 433257259 /nfs/dbraw/zinc/25/72/59/433257259.db2.gz IMZIZDGRVCXEBR-KFKAGJAMSA-N 1 0 321.424 3.191 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374792745 433278777 /nfs/dbraw/zinc/27/87/77/433278777.db2.gz KXTNSUYEUOOOJX-PBWTXFEYSA-N 1 0 317.473 3.336 10 0 DGAERO c1coc(-c2cc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)n[nH]2)c1 ZINC000351108117 433373386 /nfs/dbraw/zinc/37/33/86/433373386.db2.gz UFOQHQNOWHGYOH-UHFFFAOYSA-N 1 0 318.296 3.034 10 0 DGAERO C[C@H]1CCOCCN1Cc1csc(Cc2ccccc2)n1 ZINC000374992179 433330248 /nfs/dbraw/zinc/33/02/48/433330248.db2.gz WAWHVEOIFRUFJB-AWEZNQCLSA-N 1 0 302.443 3.345 10 0 DGAERO c1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)n(-c2ccccc2)n1 ZINC000448343037 433391594 /nfs/dbraw/zinc/39/15/94/433391594.db2.gz IRHPKYNCDRRBLE-LJQANCHMSA-N 1 0 311.429 3.265 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C3CCC3)c2)C1 ZINC000361807918 433398411 /nfs/dbraw/zinc/39/84/11/433398411.db2.gz LAFZZSZUZVSGGW-CQSZACIVSA-N 1 0 301.434 3.417 10 0 DGAERO CCc1nc2c(s1)[C@@H]([NH2+]CCc1cccc(OC)n1)CCC2 ZINC000361928217 433455392 /nfs/dbraw/zinc/45/53/92/433455392.db2.gz VMEXSULHPJRGRM-ZDUSSCGKSA-N 1 0 317.458 3.319 10 0 DGAERO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000355100713 433458841 /nfs/dbraw/zinc/45/88/41/433458841.db2.gz BAUOYUSLFNPZPR-GXTWGEPZSA-N 1 0 303.431 3.139 10 0 DGAERO Fc1ccc(CC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1F ZINC000375433888 433461804 /nfs/dbraw/zinc/46/18/04/433461804.db2.gz BFJYNAQSDXYPGC-ZDUSSCGKSA-N 1 0 319.355 3.257 10 0 DGAERO C[C@H]([NH2+]CCc1csc(N2CCCC2)n1)c1ccccn1 ZINC000159169589 292785509 /nfs/dbraw/zinc/78/55/09/292785509.db2.gz BAFQJYYMIGAIFS-ZDUSSCGKSA-N 1 0 302.447 3.032 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCCC2(C)C)[C@@H]1c1ccccc1 ZINC000248062514 290135073 /nfs/dbraw/zinc/13/50/73/290135073.db2.gz PHBGFDJEKZYQCP-CVEARBPZSA-N 1 0 301.434 3.016 10 0 DGAERO C[C@H](O)C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000245926496 290141398 /nfs/dbraw/zinc/14/13/98/290141398.db2.gz RMZVOKFCZLAFPS-IKLKHMQRSA-N 1 0 317.473 3.334 10 0 DGAERO C[C@H](O)C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000245926483 290141422 /nfs/dbraw/zinc/14/14/22/290141422.db2.gz RMZVOKFCZLAFPS-AIHBUXEESA-N 1 0 317.473 3.334 10 0 DGAERO c1cn(-c2ccccc2)nc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421379540 433524164 /nfs/dbraw/zinc/52/41/64/433524164.db2.gz LMMYJFCOEXMBMP-OAHLLOKOSA-N 1 0 313.470 3.495 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCCOCCO ZINC000342188500 433525127 /nfs/dbraw/zinc/52/51/27/433525127.db2.gz MXWVQBWWXHAAJX-RAXLEYEMSA-N 1 0 317.351 3.097 10 0 DGAERO c1ccc(N2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)nc1 ZINC000421386699 433532478 /nfs/dbraw/zinc/53/24/78/433532478.db2.gz RNMFPKZGAHBNEZ-HNNXBMFYSA-N 1 0 317.502 3.173 10 0 DGAERO CCC[N@@H+]1CCCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000301393386 433532818 /nfs/dbraw/zinc/53/28/18/433532818.db2.gz JGJVITOYODXPPM-UHFFFAOYSA-N 1 0 302.447 3.127 10 0 DGAERO C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1nnc(C2CC2)s1 ZINC000414322593 433541764 /nfs/dbraw/zinc/54/17/64/433541764.db2.gz HGJDIRCYNOJBHS-MCIONIFRSA-N 1 0 307.463 3.100 10 0 DGAERO COCCN(Cc1noc(-c2ccccc2)n1)[C@H]1CC[C@H](C)C1 ZINC000362169231 433557635 /nfs/dbraw/zinc/55/76/35/433557635.db2.gz FSWJKBAWXFMNBM-HOCLYGCPSA-N 1 0 315.417 3.374 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]CCCOc1cccc3cccnc31)CCC2 ZINC000375805299 433572255 /nfs/dbraw/zinc/57/22/55/433572255.db2.gz LOXIEZBQDBWKMY-INIZCTEOSA-N 1 0 322.412 3.394 10 0 DGAERO c1cc(CCC[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cs1 ZINC000426770018 433592620 /nfs/dbraw/zinc/59/26/20/433592620.db2.gz OAEAYCVUBQPPMA-UHFFFAOYSA-N 1 0 316.474 3.103 10 0 DGAERO CCC[C@@H](C(=O)NCC1(c2cccc(Cl)c2)CC1)[NH+](C)C ZINC000162243327 292850089 /nfs/dbraw/zinc/85/00/89/292850089.db2.gz WIBBRTHFANLHGS-HNNXBMFYSA-N 1 0 308.853 3.218 10 0 DGAERO Cc1cc(Br)cnc1NCC[N@H+]1CCCC[C@@H]1C ZINC000301631845 433648975 /nfs/dbraw/zinc/64/89/75/433648975.db2.gz UETKRPQXQBNKLR-LBPRGKRZSA-N 1 0 312.255 3.439 10 0 DGAERO C[NH+](C)CCCCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000448976546 433637767 /nfs/dbraw/zinc/63/77/67/433637767.db2.gz UPEDDRZLIOJJTO-QZTJIDSGSA-N 1 0 302.462 3.418 10 0 DGAERO OCCC1([NH2+]Cc2nnc(-c3ccccc3)s2)CCCCC1 ZINC000362325500 433643991 /nfs/dbraw/zinc/64/39/91/433643991.db2.gz SICGQZPKIRBYKG-UHFFFAOYSA-N 1 0 317.458 3.380 10 0 DGAERO c1ncc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 ZINC000282767861 433626118 /nfs/dbraw/zinc/62/61/18/433626118.db2.gz PIFSFOIFRKNZHY-CYBMUJFWSA-N 1 0 302.447 3.056 10 0 DGAERO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)C1 ZINC000376086889 433664033 /nfs/dbraw/zinc/66/40/33/433664033.db2.gz WELPWFAPIHEUHT-HHXXYDBFSA-N 1 0 319.493 3.367 10 0 DGAERO C[NH+]1CCC([C@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2)CC1 ZINC000366920498 293004781 /nfs/dbraw/zinc/00/47/81/293004781.db2.gz GCCWZADXUFMEBY-HNNXBMFYSA-N 1 0 314.420 3.002 10 0 DGAERO C(C[NH2+]CCc1nnc2n1CCCCC2)CC1CCCCC1 ZINC000367377049 293063796 /nfs/dbraw/zinc/06/37/96/293063796.db2.gz GNKHAYCRROYQAU-UHFFFAOYSA-N 1 0 304.482 3.497 10 0 DGAERO Clc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC000367423654 293070116 /nfs/dbraw/zinc/07/01/16/293070116.db2.gz WACDAACCWKUOJZ-WFASDCNBSA-N 1 0 316.228 3.421 10 0 DGAERO c1cn2c(C[N@@H+]3CC[C@]4(C3)CCCOC4)c(C3CC3)nc2s1 ZINC000367436488 293071655 /nfs/dbraw/zinc/07/16/55/293071655.db2.gz GGAZTJYYRQWIAK-KRWDZBQOSA-N 1 0 317.458 3.276 10 0 DGAERO Cc1cccc2ncc(C[NH+]3CCC(C4CCOCC4)CC3)n21 ZINC000367475479 293078065 /nfs/dbraw/zinc/07/80/65/293078065.db2.gz ZUHMBOGSMVOXJA-UHFFFAOYSA-N 1 0 313.445 3.281 10 0 DGAERO c1nn(Cc2ccccc2)cc1CNC1CC([NH+]2CCCCC2)C1 ZINC000370118626 293156075 /nfs/dbraw/zinc/15/60/75/293156075.db2.gz BKOCGZWJGVNHQT-UHFFFAOYSA-N 1 0 324.472 3.038 10 0 DGAERO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370525862 293175627 /nfs/dbraw/zinc/17/56/27/293175627.db2.gz ASDMFLNBZLUKPS-OUUBHVDSSA-N 1 0 314.473 3.339 10 0 DGAERO c1cn(-c2ccc(C[N@H+]3CC[C@H](Cc4ccncc4)C3)cc2)cn1 ZINC000370719387 293185934 /nfs/dbraw/zinc/18/59/34/293185934.db2.gz KXCZCEUYFZYUIN-LJQANCHMSA-N 1 0 318.424 3.332 10 0 DGAERO CC(C)c1nc([C@@H]2CCC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)no1 ZINC000373490597 293281826 /nfs/dbraw/zinc/28/18/26/293281826.db2.gz SMCHXCHJOSVPFZ-KGLIPLIRSA-N 1 0 307.438 3.330 10 0 DGAERO O[C@@H](C[NH+]1CCC(c2cccc(F)c2)CC1)CC(F)(F)F ZINC000373739807 293311793 /nfs/dbraw/zinc/31/17/93/293311793.db2.gz BQYWLJNBIIBYDM-CQSZACIVSA-N 1 0 305.315 3.318 10 0 DGAERO OC[C@H]1CCCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000374036267 293344745 /nfs/dbraw/zinc/34/47/45/293344745.db2.gz GTNMDHAQRJEJKW-NSHDSACASA-N 1 0 316.214 3.183 10 0 DGAERO OC[C@H]1CCCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000374039992 293345505 /nfs/dbraw/zinc/34/55/05/293345505.db2.gz STBMWJWMRYBLHQ-NSHDSACASA-N 1 0 316.214 3.183 10 0 DGAERO c1coc([C@H](C[NH2+]Cc2cc3cccnc3o2)N2CCCC2)c1 ZINC000449061852 433721481 /nfs/dbraw/zinc/72/14/81/433721481.db2.gz HUSAPFHDYPAHPB-INIZCTEOSA-N 1 0 311.385 3.348 10 0 DGAERO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)N(CC)CC)o1 ZINC000362454086 433729192 /nfs/dbraw/zinc/72/91/92/433729192.db2.gz YTDIEOGFTLXVLA-GOEBONIOSA-N 1 0 306.450 3.483 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1cccc(O)c1 ZINC000283510472 433734180 /nfs/dbraw/zinc/73/41/80/433734180.db2.gz ZKMLZLJYTSWRPI-QWHCGFSZSA-N 1 0 308.422 3.298 10 0 DGAERO OCCN(Cc1ccsc1)c1cc[nH+]c2cc(F)ccc21 ZINC000301824353 433738703 /nfs/dbraw/zinc/73/87/03/433738703.db2.gz DAFODRPXIXJXNL-UHFFFAOYSA-N 1 0 302.374 3.434 10 0 DGAERO CCc1nc2sccc2c(N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)n1 ZINC000301835343 433748692 /nfs/dbraw/zinc/74/86/92/433748692.db2.gz LCIJIUMWEXHUNG-OLZOCXBDSA-N 1 0 316.474 3.317 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000376491475 433749959 /nfs/dbraw/zinc/74/99/59/433749959.db2.gz LQILLTCPEXMDAB-JKSUJKDBSA-N 1 0 324.465 3.077 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)[C@@H](C)O ZINC000449542392 433752124 /nfs/dbraw/zinc/75/21/24/433752124.db2.gz MKDJLSKJZMJXLC-HCKVZZMMSA-N 1 0 312.251 3.055 10 0 DGAERO c1ccc(OCC2CC2)c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000351878040 433765672 /nfs/dbraw/zinc/76/56/72/433765672.db2.gz QZDNOWIXYOLEBJ-UHFFFAOYSA-N 1 0 300.446 3.003 10 0 DGAERO c1cn(-c2ccc(C[N@H+]3CCOC[C@@H]3CC3CCC3)cc2)cn1 ZINC000339769601 433768556 /nfs/dbraw/zinc/76/85/56/433768556.db2.gz PFYQAPKRLZZYQX-IBGZPJMESA-N 1 0 311.429 3.263 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC(F)(F)F)CC1 ZINC000357005400 433816165 /nfs/dbraw/zinc/81/61/65/433816165.db2.gz BJUUXMSPKLMMBU-CYBMUJFWSA-N 1 0 306.372 3.052 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)c2nc(C)nc3scc(C)c32)[C@@H](C)C1 ZINC000302259176 433818288 /nfs/dbraw/zinc/81/82/88/433818288.db2.gz BPLATFRLDFOOQE-FZMZJTMJSA-N 1 0 318.490 3.475 10 0 DGAERO O=C(C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)NC1CCCCC1 ZINC000436229423 433909999 /nfs/dbraw/zinc/90/99/99/433909999.db2.gz FALUGUVINWIYGY-IEBWSBKVSA-N 1 0 314.473 3.436 10 0 DGAERO CC(C)(C)N1C[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1=O ZINC000436250739 433914511 /nfs/dbraw/zinc/91/45/11/433914511.db2.gz WPHHHAHVZKBKBM-YESZJQIVSA-N 1 0 300.446 3.312 10 0 DGAERO CC(=O)N1CC[N@H+](CCCc2cccc3ccccc32)[C@H](C)C1 ZINC000357299088 433943049 /nfs/dbraw/zinc/94/30/49/433943049.db2.gz GUUHMSPXRFFPIH-MRXNPFEDSA-N 1 0 310.441 3.325 10 0 DGAERO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)c(Br)c1 ZINC000285457299 433956247 /nfs/dbraw/zinc/95/62/47/433956247.db2.gz MVGUXWWZRMSMLS-QMTHXVAHSA-N 1 0 314.223 3.115 10 0 DGAERO COc1ccc(OC)c(C[NH2+]Cc2ccnc(SC)c2)c1 ZINC000357369761 433974785 /nfs/dbraw/zinc/97/47/85/433974785.db2.gz PUZITZYGMFHTLV-UHFFFAOYSA-N 1 0 304.415 3.111 10 0 DGAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CC/C=C/c2ccccc2)C1 ZINC000457122525 434003963 /nfs/dbraw/zinc/00/39/63/434003963.db2.gz OTCWRDXNYQUYRD-JGZYNSJSSA-N 1 0 300.446 3.421 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)[C@H]1c1cccs1 ZINC000363251449 434005290 /nfs/dbraw/zinc/00/52/90/434005290.db2.gz DQROZLDFSZSIAK-MFKMUULPSA-N 1 0 320.380 3.200 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)[C@@H]1c1cccs1 ZINC000363251450 434005870 /nfs/dbraw/zinc/00/58/70/434005870.db2.gz DQROZLDFSZSIAK-ZWNOBZJWSA-N 1 0 320.380 3.200 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000294125072 434007401 /nfs/dbraw/zinc/00/74/01/434007401.db2.gz LXBFJWBNCXYSFW-QZEGLACASA-N 1 0 316.420 3.173 10 0 DGAERO C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000390057865 293821913 /nfs/dbraw/zinc/82/19/13/293821913.db2.gz PSRSEOAQVUYDNM-LLVKDONJSA-N 1 0 305.390 3.176 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@@H]1C ZINC000395161617 293837686 /nfs/dbraw/zinc/83/76/86/293837686.db2.gz NHYYKGXQIQJMBK-BREBYQMCSA-N 1 0 311.223 3.022 10 0 DGAERO Fc1ccc(Br)cc1C[NH2+]CC1=CCOCC1 ZINC000397749338 293847738 /nfs/dbraw/zinc/84/77/38/293847738.db2.gz OQDOIYWVNLPDMC-UHFFFAOYSA-N 1 0 300.171 3.025 10 0 DGAERO C[N@H+](CCCCNC(=O)CC/C=C/c1ccccc1)C1CC1 ZINC000457176969 434034647 /nfs/dbraw/zinc/03/46/47/434034647.db2.gz BIDHWDJJKHIKIX-VZUCSPMQSA-N 1 0 300.446 3.471 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCS1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400736261 293865711 /nfs/dbraw/zinc/86/57/11/293865711.db2.gz RTUCPFLCGCRJNO-MELADBBJSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400705774 293865880 /nfs/dbraw/zinc/86/58/80/293865880.db2.gz CPUIODLRINQVPQ-QWRGUYRKSA-N 1 0 310.360 3.174 10 0 DGAERO c1nc2c([nH]1)C[C@H]([NH2+]Cc1cccc(-c3ccccn3)c1)CC2 ZINC000377781285 433996577 /nfs/dbraw/zinc/99/65/77/433996577.db2.gz OZQVKPLLPQFFHS-MRXNPFEDSA-N 1 0 304.397 3.119 10 0 DGAERO c1ccc(OC2CC2)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000450264933 434067123 /nfs/dbraw/zinc/06/71/23/434067123.db2.gz HQLCIHBWKZGAPE-QGZVFWFLSA-N 1 0 300.446 3.288 10 0 DGAERO CC(C)(C)OCC[NH2+]Cc1ccc(F)cc1Br ZINC000308721212 434090092 /nfs/dbraw/zinc/09/00/92/434090092.db2.gz DGCCEZBDBPHDQW-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO CC(C)[C@H](C)C[NH2+]Cc1ncc(I)s1 ZINC000308542624 434090633 /nfs/dbraw/zinc/09/06/33/434090633.db2.gz OKZKXVVUEAIZQV-MRVPVSSYSA-N 1 0 324.231 3.129 10 0 DGAERO CC(C)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000450330503 434104961 /nfs/dbraw/zinc/10/49/61/434104961.db2.gz JBIODEUBNPUHGZ-GJZGRUSLSA-N 1 0 306.454 3.284 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]2C)c(Br)c1 ZINC000310854234 434113368 /nfs/dbraw/zinc/11/33/68/434113368.db2.gz DLXVTZVXCHKRIO-NOZJJQNGSA-N 1 0 312.207 3.124 10 0 DGAERO COc1cccc(C2([NH2+]CCOc3ccc(F)cc3)CC2)c1 ZINC000510123974 294374712 /nfs/dbraw/zinc/37/47/12/294374712.db2.gz MQDDNZQPOZDXBH-UHFFFAOYSA-N 1 0 301.361 3.492 10 0 DGAERO COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000510652148 294388730 /nfs/dbraw/zinc/38/87/30/294388730.db2.gz OCOMGVFDPAGQQP-ZWKOTPCHSA-N 1 0 305.418 3.251 10 0 DGAERO CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510701322 294390202 /nfs/dbraw/zinc/39/02/02/294390202.db2.gz HJHCUEIRAHIQQN-IRXDYDNUSA-N 1 0 302.418 3.192 10 0 DGAERO C[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc(F)cc1N(C)C ZINC000511020006 294399163 /nfs/dbraw/zinc/39/91/63/294399163.db2.gz VCUTZVBUIUZJME-XJKSGUPXSA-N 1 0 308.441 3.484 10 0 DGAERO Cc1ccnc(C2CC[NH+](CCN(C)c3ccccc3)CC2)n1 ZINC000363787802 434142968 /nfs/dbraw/zinc/14/29/68/434142968.db2.gz ASGBHDWUTRZJIL-UHFFFAOYSA-N 1 0 310.445 3.101 10 0 DGAERO c1csc(-c2cc(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084186 434159403 /nfs/dbraw/zinc/15/94/03/434159403.db2.gz KVRYVZJCRBGTGE-ZFWWWQNUSA-N 1 0 317.458 3.367 10 0 DGAERO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000295045870 434164541 /nfs/dbraw/zinc/16/45/41/434164541.db2.gz XBOQKWDXTHBYAH-QGZVFWFLSA-N 1 0 324.428 3.195 10 0 DGAERO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000357775234 434171311 /nfs/dbraw/zinc/17/13/11/434171311.db2.gz WQJZPXFRFHEGNR-UHFFFAOYSA-N 1 0 318.436 3.440 10 0 DGAERO C(=C\c1ccccc1)\CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000450448453 434190332 /nfs/dbraw/zinc/19/03/32/434190332.db2.gz CHBBHMPMYDCBJI-GFXXNKMTSA-N 1 0 314.473 3.277 10 0 DGAERO CCCc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000378512879 434210659 /nfs/dbraw/zinc/21/06/59/434210659.db2.gz GVUQBIVNCKVBLT-UHFFFAOYSA-N 1 0 300.446 3.340 10 0 DGAERO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000378542200 434218478 /nfs/dbraw/zinc/21/84/78/434218478.db2.gz UFKOITKCFVLCBQ-INIZCTEOSA-N 1 0 324.428 3.251 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCOC4(CCCCC4)C3)c2)cn1 ZINC000346230556 434218549 /nfs/dbraw/zinc/21/85/49/434218549.db2.gz WUMJNBAAEVUZSB-UHFFFAOYSA-N 1 0 317.458 3.469 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000379198406 434255489 /nfs/dbraw/zinc/25/54/89/434255489.db2.gz XLWNHKSPVQFTTF-WDSOQIARSA-N 1 0 302.462 3.198 10 0 DGAERO c1cc(NCC2([NH+]3CCCCC3)CCCCC2)nc(C2CC2)n1 ZINC000346619584 434256197 /nfs/dbraw/zinc/25/61/97/434256197.db2.gz LYFDSUDFFAPMFR-UHFFFAOYSA-N 1 0 314.477 3.955 10 0 DGAERO CC[NH+]1CCC(CNC(=O)NC[C@H](C)c2ccc(C)cc2)CC1 ZINC000515333531 294551886 /nfs/dbraw/zinc/55/18/86/294551886.db2.gz UKTIUUOIOAYMKT-INIZCTEOSA-N 1 0 317.477 3.130 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379647910 434258332 /nfs/dbraw/zinc/25/83/32/434258332.db2.gz LHLKWDVJFOUHBG-WMZOPIPTSA-N 1 0 304.478 3.444 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379647909 434259003 /nfs/dbraw/zinc/25/90/03/434259003.db2.gz LHLKWDVJFOUHBG-SJLPKXTDSA-N 1 0 304.478 3.444 10 0 DGAERO c1ccc2c(c1)O[C@@H](C[NH2+][C@@H]1CCCC13CCOCC3)CS2 ZINC000515383260 294556464 /nfs/dbraw/zinc/55/64/64/294556464.db2.gz ZMGLOYJVJFZQJP-WMLDXEAASA-N 1 0 319.470 3.479 10 0 DGAERO Brc1cccc(C2(NCc3cnns3)CCC2)c1 ZINC000450546173 434259969 /nfs/dbraw/zinc/25/99/69/434259969.db2.gz FEWVQOPBHQJJGI-UHFFFAOYSA-N 1 0 324.247 3.470 10 0 DGAERO C[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)C[C@@]1(C)C[NH3+] ZINC000380243456 434262485 /nfs/dbraw/zinc/26/24/85/434262485.db2.gz MWBRUAQLSIZPPH-PRHODGIISA-N 1 0 307.747 3.175 10 0 DGAERO O[C@H]1CCC[C@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000382005217 434275499 /nfs/dbraw/zinc/27/54/99/434275499.db2.gz SAYDQKBZWFZGFR-ROUUACIJSA-N 1 0 303.446 3.219 10 0 DGAERO CC(C)c1nnc(CN2CC[NH+](C3CCCCC3)CC2)s1 ZINC000450497785 434228390 /nfs/dbraw/zinc/22/83/90/434228390.db2.gz DKXPMKVTPCOBAB-UHFFFAOYSA-N 1 0 308.495 3.112 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450501509 434231910 /nfs/dbraw/zinc/23/19/10/434231910.db2.gz QBCUVCKDFJBPAI-JXXFODFXSA-N 1 0 313.441 3.420 10 0 DGAERO Nc1ccc(N[C@@H]2CCC[N@H+](Cc3ccsc3)CC2)cn1 ZINC000328648086 434292970 /nfs/dbraw/zinc/29/29/70/434292970.db2.gz UKPKSCBQQPCWES-CQSZACIVSA-N 1 0 302.447 3.192 10 0 DGAERO Fc1ccc(OC2CC[NH+](CC[C@@H]3CCOC3)CC2)c(F)c1 ZINC000437584666 434296302 /nfs/dbraw/zinc/29/63/02/434296302.db2.gz XTQKJLHQSNYMBQ-CYBMUJFWSA-N 1 0 311.372 3.235 10 0 DGAERO c1c(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)[nH]nc1-c1ccccc1 ZINC000516866991 294636032 /nfs/dbraw/zinc/63/60/32/294636032.db2.gz CYYKKNIQXGUMER-IEBWSBKVSA-N 1 0 310.445 3.183 10 0 DGAERO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000386339113 434308652 /nfs/dbraw/zinc/30/86/52/434308652.db2.gz WTSUWHGJHIWOFW-YPMHNXCESA-N 1 0 306.793 3.198 10 0 DGAERO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000386278132 434310150 /nfs/dbraw/zinc/31/01/50/434310150.db2.gz NMYQNGCJTMTSGM-YPMHNXCESA-N 1 0 306.793 3.198 10 0 DGAERO c1c2c(cc3c1OCCC[C@H]3NC[C@@H]1CCC[NH2+]1)CCCC2 ZINC000423241727 434311437 /nfs/dbraw/zinc/31/14/37/434311437.db2.gz VIHLFTRSZUPPER-FUHWJXTLSA-N 1 0 300.446 3.121 10 0 DGAERO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437717580 434324296 /nfs/dbraw/zinc/32/42/96/434324296.db2.gz BHORYGWNHLOTNY-GGPKGHCWSA-N 1 0 314.473 3.487 10 0 DGAERO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000517832769 294693444 /nfs/dbraw/zinc/69/34/44/294693444.db2.gz FRRCZAZJTRHAIE-KOMQPUFPSA-N 1 0 308.853 3.434 10 0 DGAERO CCS(=O)(=O)c1ccc(C[N@H+](C)C[C@H]2CC=CCC2)cc1 ZINC000450720178 434367882 /nfs/dbraw/zinc/36/78/82/434367882.db2.gz XRZLGQFFUPTAJT-HNNXBMFYSA-N 1 0 307.459 3.268 10 0 DGAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000295465189 434376529 /nfs/dbraw/zinc/37/65/29/434376529.db2.gz RCLKYMYBGJRTHQ-WMZOPIPTSA-N 1 0 302.462 3.198 10 0 DGAERO O[C@H](C[NH2+]CCCCF)COc1ccc(Cl)c(Cl)c1 ZINC000388988227 434339518 /nfs/dbraw/zinc/33/95/18/434339518.db2.gz RYQGEUKDCWFRRQ-SNVBAGLBSA-N 1 0 310.196 3.072 10 0 DGAERO OCCN(Cc1ccsc1Br)C1CCCC1 ZINC000388887959 434342202 /nfs/dbraw/zinc/34/22/02/434342202.db2.gz MCECTOBDDXOBAW-UHFFFAOYSA-N 1 0 304.253 3.248 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000389236173 434344272 /nfs/dbraw/zinc/34/42/72/434344272.db2.gz JTOHXJXKSGDQHM-HIFRSBDPSA-N 1 0 309.251 3.120 10 0 DGAERO CC(F)(F)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000390235108 434355907 /nfs/dbraw/zinc/35/59/07/434355907.db2.gz KBSVQKAHGRYXIQ-LBPRGKRZSA-N 1 0 307.768 3.105 10 0 DGAERO C[C@]1(C[NH2+]C[C@H]2CCSC2)CCCN1Cc1ccccc1 ZINC000397873141 434446124 /nfs/dbraw/zinc/44/61/24/434446124.db2.gz IYQXKUNCLCSEHG-QZTJIDSGSA-N 1 0 304.503 3.384 10 0 DGAERO CN(C)C1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000397839676 434447532 /nfs/dbraw/zinc/44/75/32/434447532.db2.gz GCLSBTNLQVMVBD-SNVBAGLBSA-N 1 0 315.280 3.182 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000393910640 434398003 /nfs/dbraw/zinc/39/80/03/434398003.db2.gz BKBLWIQBYWDXGK-UKBAYJJMSA-N 1 0 302.462 3.197 10 0 DGAERO CC[C@H]([NH2+]C1COCCOC1)c1ccc(Cl)c(Cl)c1 ZINC000394097354 434399699 /nfs/dbraw/zinc/39/96/99/434399699.db2.gz WUOPPJHBZKJSKF-AWEZNQCLSA-N 1 0 304.217 3.450 10 0 DGAERO CC(=O)N1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)[C@@H](C)C1 ZINC000438102843 434407867 /nfs/dbraw/zinc/40/78/67/434407867.db2.gz WXMOIAUIYFPNSG-KFKAGJAMSA-N 1 0 300.446 3.049 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000394924708 434409071 /nfs/dbraw/zinc/40/90/71/434409071.db2.gz IKXGMSPXYXRVJB-NSHDSACASA-N 1 0 302.187 3.245 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCSC[C@@H]2CCO)C1 ZINC000438107730 434409137 /nfs/dbraw/zinc/40/91/37/434409137.db2.gz WGGNNMRQNYFXPO-SQNIBIBYSA-N 1 0 305.487 3.297 10 0 DGAERO Cc1cnc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)s1 ZINC000397216537 434432439 /nfs/dbraw/zinc/43/24/39/434432439.db2.gz DYPPPUPCDDJQKR-UHFFFAOYSA-N 1 0 313.467 3.235 10 0 DGAERO CCCn1cc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)cn1 ZINC000397473444 434436784 /nfs/dbraw/zinc/43/67/84/434436784.db2.gz LYIYQKYQNUAWBS-UHFFFAOYSA-N 1 0 324.469 3.076 10 0 DGAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3csc(Br)c3)C[C@H]2C1 ZINC000398795902 434463411 /nfs/dbraw/zinc/46/34/11/434463411.db2.gz RIPXTOOVUJBMGK-QJPTWQEYSA-N 1 0 316.264 3.103 10 0 DGAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Br)c3)C[C@H]2C1 ZINC000398753764 434464861 /nfs/dbraw/zinc/46/48/61/434464861.db2.gz XHLXJVCSXDXNKV-UMVBOHGHSA-N 1 0 310.235 3.042 10 0 DGAERO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC12CCC2 ZINC000438344022 434466549 /nfs/dbraw/zinc/46/65/49/434466549.db2.gz FAWMFWJELYRGNB-MRXNPFEDSA-N 1 0 305.466 3.122 10 0 DGAERO C[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000438366059 434466761 /nfs/dbraw/zinc/46/67/61/434466761.db2.gz UJAQSZIPRMWJLX-RBUKOAKNSA-N 1 0 323.440 3.043 10 0 DGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC000399027137 434468696 /nfs/dbraw/zinc/46/86/96/434468696.db2.gz HRERVSMXZLDKEA-TYNCELHUSA-N 1 0 311.267 3.110 10 0 DGAERO Cc1cc[nH]c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000366635857 434472544 /nfs/dbraw/zinc/47/25/44/434472544.db2.gz RHRNQBLZFJJQCJ-CJNGLKHVSA-N 1 0 317.458 3.198 10 0 DGAERO Cc1ccncc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400349288 434485463 /nfs/dbraw/zinc/48/54/63/434485463.db2.gz JGVYDEXDWMSRIN-GJZGRUSLSA-N 1 0 319.449 3.125 10 0 DGAERO CC(C)SCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400758076 434491401 /nfs/dbraw/zinc/49/14/01/434491401.db2.gz XMFQMOXSTXTFRL-KGLIPLIRSA-N 1 0 316.511 3.363 10 0 DGAERO Cc1nnc(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)s1 ZINC000296059311 434495475 /nfs/dbraw/zinc/49/54/75/434495475.db2.gz GCOQWEUPIFODIT-HUUCEWRRSA-N 1 0 317.458 3.320 10 0 DGAERO Cc1ccsc1-c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000329660817 434453800 /nfs/dbraw/zinc/45/38/00/434453800.db2.gz IJMOQVMVAXMWLF-XHDPSFHLSA-N 1 0 305.403 3.032 10 0 DGAERO C[NH2+]Cc1ccccc1CNc1nccc(C)c1Br ZINC000404519588 434516864 /nfs/dbraw/zinc/51/68/64/434516864.db2.gz LYWKOBUXEONPHI-UHFFFAOYSA-N 1 0 320.234 3.484 10 0 DGAERO COc1ccccc1/C=C\C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000523297496 294940772 /nfs/dbraw/zinc/94/07/72/294940772.db2.gz WAABFFLVUFRPHW-CXOKCQFOSA-N 1 0 300.402 3.194 10 0 DGAERO COc1cccc(C2=CC[N@H+](C[C@](C)(O)C(F)(F)F)CC2)c1 ZINC000366849390 434521185 /nfs/dbraw/zinc/52/11/85/434521185.db2.gz QSBZALAXTCBFOP-HNNXBMFYSA-N 1 0 315.335 3.098 10 0 DGAERO [NH3+]CC1(CCNC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000404854348 434521865 /nfs/dbraw/zinc/52/18/65/434521865.db2.gz SHJBEUSFFNLBIV-UHFFFAOYSA-N 1 0 302.205 3.244 10 0 DGAERO CC1(C)C[N@H+](C[C@H]2CCC3(CCCCC3)O2)C[C@@]2(CCOC2)O1 ZINC000366874329 434529378 /nfs/dbraw/zinc/52/93/78/434529378.db2.gz ICDSQDKTOYSDFY-VQIMIIECSA-N 1 0 323.477 3.138 10 0 DGAERO CCCc1nc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)no1 ZINC000360223544 434553675 /nfs/dbraw/zinc/55/36/75/434553675.db2.gz WJXOOYQEZQFIEC-INIZCTEOSA-N 1 0 320.481 3.110 10 0 DGAERO Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000459048025 434554023 /nfs/dbraw/zinc/55/40/23/434554023.db2.gz XDKOZNONAXJGIC-KCQAQPDRSA-N 1 0 307.438 3.021 10 0 DGAERO CCn1nncc1C[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000459338710 434565790 /nfs/dbraw/zinc/56/57/90/434565790.db2.gz GGSSGCYWNAIKDS-LJQANCHMSA-N 1 0 310.445 3.168 10 0 DGAERO CC[N@H+](CCOC[C@H]1CCCO1)[C@H](C)Cc1ccc(OC)cc1 ZINC000525488530 295017232 /nfs/dbraw/zinc/01/72/32/295017232.db2.gz VTVVIKYYHRIGIV-VQIMIIECSA-N 1 0 321.461 3.144 10 0 DGAERO CCn1nncc1CN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000459317167 434564768 /nfs/dbraw/zinc/56/47/68/434564768.db2.gz ZEZSAERYKUJCPF-HXUWFJFHSA-N 1 0 318.424 3.446 10 0 DGAERO O=C(CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)Nc1ccccn1 ZINC000527348218 295093157 /nfs/dbraw/zinc/09/31/57/295093157.db2.gz LBPNTWLFINXGLY-IAGOWNOFSA-N 1 0 309.413 3.336 10 0 DGAERO c1ccc2c(c1)CCCN2CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000527374139 295095465 /nfs/dbraw/zinc/09/54/65/295095465.db2.gz CVLXPLLUCOLFHB-FQEVSTJZSA-N 1 0 314.473 3.330 10 0 DGAERO Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]3C3CC3)CC2)n[nH]1 ZINC000439138571 434570511 /nfs/dbraw/zinc/57/05/11/434570511.db2.gz KJEMIGOBVVTXAC-DLBZAZTESA-N 1 0 302.466 3.245 10 0 DGAERO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000527663690 295111842 /nfs/dbraw/zinc/11/18/42/295111842.db2.gz BRUHMHNMBNGZMM-VXGBXAGGSA-N 1 0 311.438 3.003 10 0 DGAERO Fc1c(Br)ccc(C[NH2+]CC[C@H]2CCOC2)c1F ZINC000527691802 295116253 /nfs/dbraw/zinc/11/62/53/295116253.db2.gz ODJRMRXTFCJWBO-VIFPVBQESA-N 1 0 320.177 3.244 10 0 DGAERO Brc1csc(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000527735753 295122899 /nfs/dbraw/zinc/12/28/99/295122899.db2.gz LZGQZCPMLDDRRH-JTQLQIEISA-N 1 0 304.253 3.417 10 0 DGAERO c1nc(C[NH2+]CC(C2CCC2)C2CCC2)sc1C1OCCO1 ZINC000527736561 295122919 /nfs/dbraw/zinc/12/29/19/295122919.db2.gz RVWNDSIYQHMIRN-UHFFFAOYSA-N 1 0 322.474 3.495 10 0 DGAERO Brc1csc(C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000527735756 295122938 /nfs/dbraw/zinc/12/29/38/295122938.db2.gz LZGQZCPMLDDRRH-SNVBAGLBSA-N 1 0 304.253 3.417 10 0 DGAERO c1ccc(N2CCOCC2)c(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000527740509 295123546 /nfs/dbraw/zinc/12/35/46/295123546.db2.gz TVOFGSPEAFKCIT-SOLBZPMBSA-N 1 0 300.446 3.049 10 0 DGAERO c1onc(Cc2ccccc2)c1C[NH2+]CC[C@H]1CCCOC1 ZINC000527739662 295123720 /nfs/dbraw/zinc/12/37/20/295123720.db2.gz QGYTVZDKZVUWLN-MRXNPFEDSA-N 1 0 300.402 3.172 10 0 DGAERO c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000527805880 295134159 /nfs/dbraw/zinc/13/41/59/295134159.db2.gz IUFFOZPKIQRWBN-OAHLLOKOSA-N 1 0 316.474 3.245 10 0 DGAERO c1ccc2c(c1)ccnc2N1CCC(Oc2cnccn2)CC1 ZINC000527988007 295160730 /nfs/dbraw/zinc/16/07/30/295160730.db2.gz PJSLGERGDVPNFG-UHFFFAOYSA-N 1 0 306.369 3.073 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000527998664 295162567 /nfs/dbraw/zinc/16/25/67/295162567.db2.gz BTYKYZWWLBTZEM-MQOOWTBDSA-N 1 0 302.462 3.053 10 0 DGAERO CCn1nncc1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000459387631 434576960 /nfs/dbraw/zinc/57/69/60/434576960.db2.gz NFAIZFCCEWFFDF-JTQLQIEISA-N 1 0 314.311 3.047 10 0 DGAERO CCCC[C@H]([NH2+]Cc1cnnn1CC)c1ccc(OC)cc1 ZINC000459397144 434578120 /nfs/dbraw/zinc/57/81/20/434578120.db2.gz RCSLDDXYQLWMFG-KRWDZBQOSA-N 1 0 302.422 3.328 10 0 DGAERO COc1ccc(OC)c([C@H]2CCCN2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000124738551 295183428 /nfs/dbraw/zinc/18/34/28/295183428.db2.gz NLKCIBOTSLRUMP-MAUKXSAKSA-N 1 0 318.461 3.325 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)CCCO2 ZINC000250145237 295275507 /nfs/dbraw/zinc/27/55/07/295275507.db2.gz ZRNYTRXSGDJZHU-IAOVAPTHSA-N 1 0 305.418 3.050 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000354035336 434591701 /nfs/dbraw/zinc/59/17/01/434591701.db2.gz XPPXOIALUFTCTR-UHFFFAOYSA-N 1 0 315.442 3.208 10 0 DGAERO c1ccc(OCc2ccncc2)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000459604430 434627195 /nfs/dbraw/zinc/62/71/95/434627195.db2.gz JUDWALYYUPJWBP-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO COC(=O)c1oc(C[NH+]2CCC(C3CCOCC3)CC2)cc1C ZINC000370966899 434627684 /nfs/dbraw/zinc/62/76/84/434627684.db2.gz WLRCPZBDXGTHGW-UHFFFAOYSA-N 1 0 321.417 3.013 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000371411008 434695737 /nfs/dbraw/zinc/69/57/37/434695737.db2.gz VOOORNSEUQMABD-MRXNPFEDSA-N 1 0 309.417 3.041 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCc1cn(C)cn1 ZINC000459659460 434651381 /nfs/dbraw/zinc/65/13/81/434651381.db2.gz KCBOPTJBKMKWIM-UKTHLTGXSA-N 1 0 321.371 3.257 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371231813 434657120 /nfs/dbraw/zinc/65/71/20/434657120.db2.gz QFSMKQKHWQGQGY-DTXSUPOZSA-N 1 0 316.420 3.220 10 0 DGAERO c1ccc2c(c1)OC[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)O2 ZINC000360658179 434660318 /nfs/dbraw/zinc/66/03/18/434660318.db2.gz RUBDBFFDADKFAU-APWZRJJASA-N 1 0 310.397 3.352 10 0 DGAERO O[C@@H](CC[NH2+]Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000349302577 434665355 /nfs/dbraw/zinc/66/53/55/434665355.db2.gz XQOZQKGQEOYSFV-VIFPVBQESA-N 1 0 302.123 3.396 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2ccc(C(C)C)cc2O)CC1 ZINC000440081694 434675661 /nfs/dbraw/zinc/67/56/61/434675661.db2.gz UDYMRXPDMWPDCK-UHFFFAOYSA-N 1 0 318.461 3.367 10 0 DGAERO O[C@H](CC[NH2+]Cc1ccccc1C(F)(F)F)C(F)(F)F ZINC000349331911 434676259 /nfs/dbraw/zinc/67/62/59/434676259.db2.gz MYWAIXFDWVIIPH-SNVBAGLBSA-N 1 0 301.230 3.108 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N2CCCC23CCCCC3)CC1 ZINC000460220021 434748033 /nfs/dbraw/zinc/74/80/33/434748033.db2.gz ZDPOZVPELANWML-UHFFFAOYSA-N 1 0 305.466 3.147 10 0 DGAERO Cc1ccc(NC(=O)C[NH2+]C2(CCO)CCCCC2)c(Cl)c1 ZINC000440888159 434752535 /nfs/dbraw/zinc/75/25/35/434752535.db2.gz MSFGWFQAQSWLEX-UHFFFAOYSA-N 1 0 324.852 3.262 10 0 DGAERO CS[C@@H]1CN(C(=O)[C@H]2CCCCC2(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000447531870 295648086 /nfs/dbraw/zinc/64/80/86/295648086.db2.gz TYCGPWCITFWUER-OWCLPIDISA-N 1 0 324.534 3.241 10 0 DGAERO CCCCn1c(SC[C@@H](C)[NH+](C)C)nc2ccccc2c1=O ZINC000460449308 434758359 /nfs/dbraw/zinc/75/83/59/434758359.db2.gz KEEJPLRKKIECPI-CYBMUJFWSA-N 1 0 319.474 3.239 10 0 DGAERO COC1([C@@H](C)[NH2+]CCSc2ccc(C)cc2)CCOCC1 ZINC000453096615 434799637 /nfs/dbraw/zinc/79/96/37/434799637.db2.gz UGHKXHMTLMWKIJ-OAHLLOKOSA-N 1 0 309.475 3.261 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cs1 ZINC000361084347 434792420 /nfs/dbraw/zinc/79/24/20/434792420.db2.gz CDUJTQJLNHRMAI-HNNXBMFYSA-N 1 0 316.474 3.487 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2ccc(C)cc2SC)CCOCC1 ZINC000453133813 434811561 /nfs/dbraw/zinc/81/15/61/434811561.db2.gz RJMFNGPLJOLOAC-AWEZNQCLSA-N 1 0 309.475 3.391 10 0 DGAERO COC1([C@H](C)[NH2+]CCCc2cccc(Cl)c2)CCOCC1 ZINC000453131481 434811724 /nfs/dbraw/zinc/81/17/24/434811724.db2.gz HDBAQSWYACYXIH-AWEZNQCLSA-N 1 0 311.853 3.446 10 0 DGAERO COC1([C@H](C)[NH2+]C2CC(c3ccc(F)cc3)C2)CCOCC1 ZINC000453179461 434823468 /nfs/dbraw/zinc/82/34/68/434823468.db2.gz VDZQOTRJPUOZMH-KTAKPFMOSA-N 1 0 307.409 3.245 10 0 DGAERO O[C@@H]1[C@H](C[NH2+][C@@H](C2CC2)C2CCCC2)CCC12CCOCC2 ZINC000453221876 434833387 /nfs/dbraw/zinc/83/33/87/434833387.db2.gz RVXQBKVHIDJNQS-RCCFBDPRSA-N 1 0 307.478 3.113 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+][C@H](C2CC2)C2CCC2)n1 ZINC000453231266 434834433 /nfs/dbraw/zinc/83/44/33/434834433.db2.gz VEKCPGUNLOLYPT-HNNXBMFYSA-N 1 0 308.447 3.031 10 0 DGAERO C[C@@H](CCCO)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453281159 434847683 /nfs/dbraw/zinc/84/76/83/434847683.db2.gz RXOUFPVBIMBTMG-SMDDNHRTSA-N 1 0 316.367 3.476 10 0 DGAERO C[C@@H](CCCO)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453281155 434847750 /nfs/dbraw/zinc/84/77/50/434847750.db2.gz RXOUFPVBIMBTMG-FZMZJTMJSA-N 1 0 316.367 3.476 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000522185869 434916941 /nfs/dbraw/zinc/91/69/41/434916941.db2.gz DEZSDZFQFJTBLZ-RDJZCZTQSA-N 1 0 320.477 3.424 10 0 DGAERO C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(Br)cn1 ZINC000573061461 434871367 /nfs/dbraw/zinc/87/13/67/434871367.db2.gz WXGMTRVBAKNSOV-NEPJUHHUSA-N 1 0 313.239 3.311 10 0 DGAERO C=Cc1ccc(CCNC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000461111968 434872417 /nfs/dbraw/zinc/87/24/17/434872417.db2.gz VBGIISIQNSHHIS-INIZCTEOSA-N 1 0 315.461 3.046 10 0 DGAERO CCc1ccc([C@H](CNC(=O)NCCCC2CC2)[NH+](C)C)cc1 ZINC000522990332 434937126 /nfs/dbraw/zinc/93/71/26/434937126.db2.gz VRAMVFULQGZUCZ-SFHVURJKSA-N 1 0 317.477 3.341 10 0 DGAERO C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000554724315 434945392 /nfs/dbraw/zinc/94/53/92/434945392.db2.gz DDIYQWLFOXFUCO-CXAGYDPISA-N 1 0 316.445 3.163 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000522344471 434922841 /nfs/dbraw/zinc/92/28/41/434922841.db2.gz BHRRUXBXCOQXKE-ROUUACIJSA-N 1 0 315.461 3.233 10 0 DGAERO CC(C)(C)OC(=O)c1ccc(C[N@H+](CCO)C2CCCC2)cc1 ZINC000462788429 434927248 /nfs/dbraw/zinc/92/72/48/434927248.db2.gz ASKYKLABOFTGLN-UHFFFAOYSA-N 1 0 319.445 3.379 10 0 DGAERO CC[C@@H](CCO)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462784097 434927333 /nfs/dbraw/zinc/92/73/33/434927333.db2.gz BKJXLPMTPNYKKT-AWEZNQCLSA-N 1 0 307.434 3.140 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000462777796 434928170 /nfs/dbraw/zinc/92/81/70/434928170.db2.gz NASUUMWRSZXWKG-GOSISDBHSA-N 1 0 315.461 3.238 10 0 DGAERO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000574493625 434981402 /nfs/dbraw/zinc/98/14/02/434981402.db2.gz VTPZPGBIUKPGGE-AGIUHOORSA-N 1 0 312.841 3.297 10 0 DGAERO C[C@H](O)CN(Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000524971692 435000544 /nfs/dbraw/zinc/00/05/44/435000544.db2.gz UYDOTEOCMCECNA-HNNXBMFYSA-N 1 0 323.396 3.120 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000466091070 435061409 /nfs/dbraw/zinc/06/14/09/435061409.db2.gz DLRDMIRGRQMEDC-KZNAEPCWSA-N 1 0 321.509 3.376 10 0 DGAERO c1csc(-c2noc(CN3CCC[C@@]4(CCCOC4)C3)n2)c1 ZINC000531342680 435087247 /nfs/dbraw/zinc/08/72/47/435087247.db2.gz UGQYABIHCBYNJJ-MRXNPFEDSA-N 1 0 319.430 3.191 10 0 DGAERO C[C@@H]1C[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465674270 435037833 /nfs/dbraw/zinc/03/78/33/435037833.db2.gz BOGBHADCXYBUDF-CTASWTNQSA-N 1 0 321.490 3.086 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CCC(C)(C)C2)CC1 ZINC000474459459 435147092 /nfs/dbraw/zinc/14/70/92/435147092.db2.gz WPTCIUJHOAWBIB-INIZCTEOSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@H]([NH2+]CCc1ccccc1O)c1ccc(-n2cccn2)cc1 ZINC000532217035 435148111 /nfs/dbraw/zinc/14/81/11/435148111.db2.gz CLTNKMIWCVVCDP-HNNXBMFYSA-N 1 0 307.397 3.471 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466933919 435101249 /nfs/dbraw/zinc/10/12/49/435101249.db2.gz MNXQEWPZVLMGAD-CRAIPNDOSA-N 1 0 315.461 3.089 10 0 DGAERO c1ccc2c(c1)CC[C@@]1(CC[N@@H+](CC[C@H]3CCCCO3)C1)O2 ZINC000578700854 435102624 /nfs/dbraw/zinc/10/26/24/435102624.db2.gz JQWVKBFQFJAYSR-MJGOQNOKSA-N 1 0 301.430 3.415 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cn1 ZINC000531614927 435106076 /nfs/dbraw/zinc/10/60/76/435106076.db2.gz KFYALUKYJSPZGU-CQSZACIVSA-N 1 0 320.433 3.034 10 0 DGAERO Cc1ccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000531715162 435113854 /nfs/dbraw/zinc/11/38/54/435113854.db2.gz REUYNYAZDRAAAQ-UWJYYQICSA-N 1 0 323.484 3.433 10 0 DGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCOc1cccc(F)c1 ZINC000467511747 435123851 /nfs/dbraw/zinc/12/38/51/435123851.db2.gz ICDTWJIMEYJCAA-CQSZACIVSA-N 1 0 303.377 3.473 10 0 DGAERO COc1cc(F)c([C@H](C)[NH2+]CCc2ccccc2O)cc1OC ZINC000531961748 435131089 /nfs/dbraw/zinc/13/10/89/435131089.db2.gz DKIRFKZNQIRNOK-LBPRGKRZSA-N 1 0 319.376 3.442 10 0 DGAERO COc1cc([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)ccn1 ZINC000559922732 435143241 /nfs/dbraw/zinc/14/32/41/435143241.db2.gz WTLPXLPDCMADRM-CQSZACIVSA-N 1 0 308.385 3.127 10 0 DGAERO C[C@H](OCc1ccccc1)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639070016 435144528 /nfs/dbraw/zinc/14/45/28/435144528.db2.gz CLJQIJHZTAKVNK-RDJZCZTQSA-N 1 0 324.424 3.071 10 0 DGAERO Fc1ccc(OCC[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000533045403 435207466 /nfs/dbraw/zinc/20/74/66/435207466.db2.gz YWBADEFWJPXCTB-KRWDZBQOSA-N 1 0 300.377 3.391 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CC[C@@H](C)C2)CC1 ZINC000475480558 435199935 /nfs/dbraw/zinc/19/99/35/435199935.db2.gz ULTXPJQCDIZHDF-NVXWUHKLSA-N 1 0 309.498 3.186 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474622391 435154554 /nfs/dbraw/zinc/15/45/54/435154554.db2.gz VSVCVLAWQYCNRA-OORONAJNSA-N 1 0 313.772 3.406 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)C1CCOCC1 ZINC000532450283 435166572 /nfs/dbraw/zinc/16/65/72/435166572.db2.gz MWVMEKMJRUFLBK-LJQANCHMSA-N 1 0 313.445 3.226 10 0 DGAERO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21)c1cccnc1 ZINC000174032957 298107026 /nfs/dbraw/zinc/10/70/26/298107026.db2.gz KUGDETPAUGMTMV-MAUKXSAKSA-N 1 0 321.424 3.196 10 0 DGAERO CC[NH+](CC)CCN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000583615173 435242147 /nfs/dbraw/zinc/24/21/47/435242147.db2.gz NRQAHKUVIDFQRS-OAHLLOKOSA-N 1 0 306.454 3.206 10 0 DGAERO C1CCC([N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)C1 ZINC000583621775 435243945 /nfs/dbraw/zinc/24/39/45/435243945.db2.gz MYUGSZDUWMHGJP-HNNXBMFYSA-N 1 0 305.422 3.433 10 0 DGAERO CCOc1cccc(C[N@H+](C)C2CCOCC2)c1OC(F)F ZINC000534345629 435282244 /nfs/dbraw/zinc/28/22/44/435282244.db2.gz YWLFROONQTYPKW-UHFFFAOYSA-N 1 0 315.360 3.298 10 0 DGAERO C[N@H+](CCOc1c(Cl)cccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000534381249 435286426 /nfs/dbraw/zinc/28/64/26/435286426.db2.gz RAXXBGPNNPUFFH-RISCZKNCSA-N 1 0 318.244 3.465 10 0 DGAERO CCc1nc(C(C)(C)NC/C=C\c2ccc(F)c(F)c2)no1 ZINC000512350511 435354707 /nfs/dbraw/zinc/35/47/07/435354707.db2.gz PUJSRAVEZXZTAB-WAYWQWQTSA-N 1 0 307.344 3.448 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)nc1 ZINC000535851216 435358819 /nfs/dbraw/zinc/35/88/19/435358819.db2.gz MISJBSFUXODEDQ-HNNXBMFYSA-N 1 0 304.434 3.334 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H](C)CN1CCCC1=O ZINC000512995981 435375019 /nfs/dbraw/zinc/37/50/19/435375019.db2.gz ATNFRXPNXJQDAW-JWAFFJSPSA-N 1 0 306.837 3.344 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1CCSCC1 ZINC000513495021 435392882 /nfs/dbraw/zinc/39/28/82/435392882.db2.gz LNMPNRLDSUQTKC-OWBHPGMISA-N 1 0 310.894 3.382 10 0 DGAERO CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)C1CCCCC1 ZINC000480755736 435393370 /nfs/dbraw/zinc/39/33/70/435393370.db2.gz HVJSPUVWLKKKLN-GOSISDBHSA-N 1 0 317.477 3.367 10 0 DGAERO Cc1nn(C)c(C)c1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000537511685 435446754 /nfs/dbraw/zinc/44/67/54/435446754.db2.gz QWPSWQRVJQODND-SUMWQHHRSA-N 1 0 304.482 3.492 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc2c1OCC2 ZINC000482168902 435457553 /nfs/dbraw/zinc/45/75/53/435457553.db2.gz IHTYKFKHZRQRBC-MOPGFXCFSA-N 1 0 315.457 3.303 10 0 DGAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000537724799 435461717 /nfs/dbraw/zinc/46/17/17/435461717.db2.gz FUPMRSFTVWOZJF-HNNXBMFYSA-N 1 0 305.418 3.336 10 0 DGAERO C[C@H](C1CCCCC1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000515154527 435465893 /nfs/dbraw/zinc/46/58/93/435465893.db2.gz AKFIYAOYXYTKMJ-CYBMUJFWSA-N 1 0 318.417 3.254 10 0 DGAERO c1nc2cc(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)ccc2[nH]1 ZINC000537865309 435470492 /nfs/dbraw/zinc/47/04/92/435470492.db2.gz XTHGFLOOWMTFAQ-APWZRJJASA-N 1 0 307.397 3.430 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000537992004 435477430 /nfs/dbraw/zinc/47/74/30/435477430.db2.gz VBVCEZQMSWGWAC-GRYCIOLGSA-N 1 0 310.825 3.311 10 0 DGAERO C[C@H](Oc1cccc2ccccc21)C(=O)N(C)CCC[NH+](C)C ZINC000514650858 435426253 /nfs/dbraw/zinc/42/62/53/435426253.db2.gz AHZSYICNPMDAEU-HNNXBMFYSA-N 1 0 314.429 3.017 10 0 DGAERO CCC(=O)N[C@H]1CCC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000537206263 435430312 /nfs/dbraw/zinc/43/03/12/435430312.db2.gz DVYJRIKXRBDBNC-AEFFLSMTSA-N 1 0 302.462 3.246 10 0 DGAERO c1nc2ccccn2c1CSc1n[nH]c(-c2ccccc2)n1 ZINC000537428608 435442209 /nfs/dbraw/zinc/44/22/09/435442209.db2.gz FKDNKNVPBWNISY-UHFFFAOYSA-N 1 0 307.382 3.412 10 0 DGAERO CCCCc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)NCC)C2)cc1 ZINC000539059148 435536289 /nfs/dbraw/zinc/53/62/89/435536289.db2.gz NZKJIWHCJVQDAF-CRAIPNDOSA-N 1 0 317.477 3.484 10 0 DGAERO CC(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000483261371 435505826 /nfs/dbraw/zinc/50/58/26/435505826.db2.gz SCJOINWYKWUCJX-ZDUSSCGKSA-N 1 0 318.417 3.112 10 0 DGAERO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000483252098 435506231 /nfs/dbraw/zinc/50/62/31/435506231.db2.gz VBFOLLIFNDEBFC-QZTJIDSGSA-N 1 0 305.462 3.322 10 0 DGAERO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000483285532 435507726 /nfs/dbraw/zinc/50/77/26/435507726.db2.gz NQCGXFBILXVFDN-DOTOQJQBSA-N 1 0 312.461 3.486 10 0 DGAERO C[C@H](NCc1cc(Cl)ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000569223334 435513589 /nfs/dbraw/zinc/51/35/89/435513589.db2.gz WABOBOBIQYSDPP-VHSXEESVSA-N 1 0 317.658 3.190 10 0 DGAERO c1ccc([C@H]2CCCC[C@@H]([NH2+]CCN3CCOCC3)C2)cc1 ZINC000517106407 435574488 /nfs/dbraw/zinc/57/44/88/435574488.db2.gz YHLXDAHKXPEDOT-RBUKOAKNSA-N 1 0 302.462 3.025 10 0 DGAERO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(C)n2)cc1F ZINC000540145853 435588255 /nfs/dbraw/zinc/58/82/55/435588255.db2.gz ZLGDZSVFXRFAMK-DOTOQJQBSA-N 1 0 317.408 3.384 10 0 DGAERO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCC2CC2)cc1 ZINC000540173105 435590176 /nfs/dbraw/zinc/59/01/76/435590176.db2.gz CERRANPJPMSNGQ-CYBMUJFWSA-N 1 0 310.463 3.289 10 0 DGAERO COCC1(C)CC[NH+](Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000539099855 435540363 /nfs/dbraw/zinc/54/03/63/435540363.db2.gz LYFTXQLMYFFXSY-UHFFFAOYSA-N 1 0 315.417 3.294 10 0 DGAERO CCCCN(Cc1ccccc1F)C(=O)NCC[N@H+](C)C(C)C ZINC000517865131 435614508 /nfs/dbraw/zinc/61/45/08/435614508.db2.gz ZBQAHOFUXZPVID-UHFFFAOYSA-N 1 0 323.456 3.478 10 0 DGAERO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000486796845 435615699 /nfs/dbraw/zinc/61/56/99/435615699.db2.gz VGNGFFMGVDLYED-DZGCQCFKSA-N 1 0 318.417 3.254 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000517990531 435621204 /nfs/dbraw/zinc/62/12/04/435621204.db2.gz KNLHFZVVZZUMKX-RBUKOAKNSA-N 1 0 314.473 3.342 10 0 DGAERO Cc1csc(NC(=O)C[NH2+][C@@]2(C)CCCc3ccccc32)n1 ZINC000540907228 435624227 /nfs/dbraw/zinc/62/42/27/435624227.db2.gz YCZXRTBWUVHMPX-KRWDZBQOSA-N 1 0 315.442 3.231 10 0 DGAERO CCCC[N@@H+]1CCCC[C@@H]1CNCc1cc(OC)ccc1OC ZINC000518274488 435632901 /nfs/dbraw/zinc/63/29/01/435632901.db2.gz LAXQEVMKMMTVMQ-QGZVFWFLSA-N 1 0 320.477 3.448 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(CSC)c2)C1 ZINC000518334918 435634355 /nfs/dbraw/zinc/63/43/55/435634355.db2.gz LHBBEPOUZSECCW-CQSZACIVSA-N 1 0 307.463 3.013 10 0 DGAERO Cc1nc(-c2cccs2)ccc1C(=O)N(C)CCC[NH+](C)C ZINC000540514465 435606423 /nfs/dbraw/zinc/60/64/23/435606423.db2.gz OJSZLXQTHISJQX-UHFFFAOYSA-N 1 0 317.458 3.142 10 0 DGAERO C[N@H+](CCC(=O)N[C@H]1CCCC(F)(F)C1)C1CCCCC1 ZINC000548065304 435665326 /nfs/dbraw/zinc/66/53/26/435665326.db2.gz ZAHDXWQHEDATCS-ZDUSSCGKSA-N 1 0 302.409 3.335 10 0 DGAERO C[C@@H]1CCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000488526489 435639589 /nfs/dbraw/zinc/63/95/89/435639589.db2.gz XLSXNACRIOKDGL-LLVKDONJSA-N 1 0 321.421 3.496 10 0 DGAERO CC[NH+](CC)CCCN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000549141435 435743526 /nfs/dbraw/zinc/74/35/26/435743526.db2.gz LQOMJTRVUAIXBM-MRXNPFEDSA-N 1 0 312.498 3.162 10 0 DGAERO CC[C@@H](O)C[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187226 435748826 /nfs/dbraw/zinc/74/88/26/435748826.db2.gz JLXIYZGPOZOOKD-ZIAGYGMSSA-N 1 0 305.315 3.347 10 0 DGAERO COCC1([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000548635447 435707298 /nfs/dbraw/zinc/70/72/98/435707298.db2.gz NXTOPIZGLYGUHZ-ZDUSSCGKSA-N 1 0 300.324 3.246 10 0 DGAERO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551927561 435862344 /nfs/dbraw/zinc/86/23/44/435862344.db2.gz ADZSKVYYPCVLAS-BXUZGUMPSA-N 1 0 303.431 3.429 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1Cl ZINC000658245322 436409706 /nfs/dbraw/zinc/40/97/06/436409706.db2.gz RHPJYYRRNGAZJN-ZJUUUORDSA-N 1 0 301.217 3.122 10 0 DGAERO C[C@H]([NH2+]C1CC(CO)C1)c1cc(Br)ccc1F ZINC000658357498 436438508 /nfs/dbraw/zinc/43/85/08/436438508.db2.gz VHZUWWAHKIGILD-SILCLGDVSA-N 1 0 302.187 3.010 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2ccnn2C)oc1C ZINC000658270313 436414166 /nfs/dbraw/zinc/41/41/66/436414166.db2.gz SJZGDQMVMFZLHY-DHSIGJKJSA-N 1 0 317.433 3.448 10 0 DGAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000658301148 436423318 /nfs/dbraw/zinc/42/33/18/436423318.db2.gz WVMXNOAVBWDTLD-QLFBSQMISA-N 1 0 301.496 3.004 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)CCCO2 ZINC000127407497 301910033 /nfs/dbraw/zinc/91/00/33/301910033.db2.gz LGWOWNSRTCBDEG-VFNWGFHPSA-N 1 0 309.475 3.346 10 0 DGAERO Cc1cccc([C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C(C)(C)C)c1 ZINC000176856365 302032781 /nfs/dbraw/zinc/03/27/81/302032781.db2.gz DDIOFEQIYDTOMD-SJORKVTESA-N 1 0 317.477 3.428 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]CCNC(=O)C1CC1)c1ccccc1 ZINC000176529824 302197865 /nfs/dbraw/zinc/19/78/65/302197865.db2.gz OHUTVOKFXSOEBX-LJQANCHMSA-N 1 0 308.425 3.200 10 0 DGAERO Cc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(Cl)cc1F ZINC000132281840 312638388 /nfs/dbraw/zinc/63/83/88/312638388.db2.gz NSQCJUHQYZIOHE-LLVKDONJSA-N 1 0 314.832 3.494 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000170874795 312704380 /nfs/dbraw/zinc/70/43/80/312704380.db2.gz FBUFQVNWHMSXMU-SNVBAGLBSA-N 1 0 302.205 3.161 10 0 DGAERO CC1(C)CCCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171097839 312710656 /nfs/dbraw/zinc/71/06/56/312710656.db2.gz RDXKKNAZRDZLDB-UHFFFAOYSA-N 1 0 315.461 3.366 10 0 DGAERO Cc1ccccc1C[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171611518 312725659 /nfs/dbraw/zinc/72/56/59/312725659.db2.gz DRZQUSXEWPFECW-XLIONFOSSA-N 1 0 324.468 3.215 10 0 DGAERO CCCc1ccc([C@@H]([NH2+]C2CCN(C(N)=O)CC2)C(C)C)cc1 ZINC000178417994 312789868 /nfs/dbraw/zinc/78/98/68/312789868.db2.gz ABTZHHICDVGMTM-SFHVURJKSA-N 1 0 317.477 3.469 10 0 DGAERO COc1cccc(OCC[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000178528927 312790864 /nfs/dbraw/zinc/79/08/64/312790864.db2.gz NSURMUPMESGTQC-CYBMUJFWSA-N 1 0 315.369 3.154 10 0 DGAERO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCCC23CCC3)cc1 ZINC000377201522 313028409 /nfs/dbraw/zinc/02/84/09/313028409.db2.gz LOLXTJCZENURII-CQSZACIVSA-N 1 0 303.402 3.145 10 0 DGAERO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCCC23CCC3)cc1 ZINC000377201521 313028598 /nfs/dbraw/zinc/02/85/98/313028598.db2.gz LOLXTJCZENURII-AWEZNQCLSA-N 1 0 303.402 3.145 10 0 DGAERO CCC[N@H+](Cc1ccsc1Br)CC(C)(C)O ZINC000529532376 313219248 /nfs/dbraw/zinc/21/92/48/313219248.db2.gz YLTNENPNEWVRBX-UHFFFAOYSA-N 1 0 306.269 3.494 10 0 DGAERO c1cc(CCCNc2ccc3c(c2)OCC[NH2+]C3)cc2c1OCC2 ZINC000530246131 313347682 /nfs/dbraw/zinc/34/76/82/313347682.db2.gz CKJVOLYICGKXDE-UHFFFAOYSA-N 1 0 324.424 3.148 10 0 DGAERO c1nn(-c2ccccn2)cc1-c1cccc(C2CC[NH2+]CC2)c1 ZINC000530251669 313349062 /nfs/dbraw/zinc/34/90/62/313349062.db2.gz VAZIFYJCPYQKHS-UHFFFAOYSA-N 1 0 304.397 3.401 10 0 DGAERO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000530365773 313361644 /nfs/dbraw/zinc/36/16/44/313361644.db2.gz PVVWPZLNUQTEJU-DGCLKSJQSA-N 1 0 312.816 3.388 10 0 DGAERO Clc1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc2c1OCO2 ZINC000530711848 313398978 /nfs/dbraw/zinc/39/89/78/313398978.db2.gz JAZAZQQRXNJVDO-UHFFFAOYSA-N 1 0 319.792 3.171 10 0 DGAERO c1csc(-c2n[nH]cc2C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000535821768 313736693 /nfs/dbraw/zinc/73/66/93/313736693.db2.gz PASMQBBHHHNYBA-UHFFFAOYSA-N 1 0 313.430 3.241 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000537215400 313802835 /nfs/dbraw/zinc/80/28/35/313802835.db2.gz DTUHQVPJYNQNNA-OALUTQOASA-N 1 0 310.441 3.353 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000538315392 313856713 /nfs/dbraw/zinc/85/67/13/313856713.db2.gz YWAJSULPNIBJLF-UHFFFAOYSA-N 1 0 321.808 3.019 10 0 DGAERO Cn1cnc(CC[NH2+][C@H](Cc2ccccc2)C2CCCCC2)n1 ZINC000539122366 313902325 /nfs/dbraw/zinc/90/23/25/313902325.db2.gz PKANQKLMULAYSA-GOSISDBHSA-N 1 0 312.461 3.139 10 0 DGAERO CCC[C@H](CCO)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000539393532 313910301 /nfs/dbraw/zinc/91/03/01/313910301.db2.gz XEBZXQUPLNCCMD-RDTXWAMCSA-N 1 0 319.424 3.037 10 0 DGAERO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000540575216 313966488 /nfs/dbraw/zinc/96/64/88/313966488.db2.gz QBYMQPFBNKFKGM-DYVFJYSZSA-N 1 0 311.372 3.219 10 0 DGAERO COc1ccc(C)cc1NC(=O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000541318006 314007233 /nfs/dbraw/zinc/00/72/33/314007233.db2.gz IPFQAZKWFSNLSI-OAHLLOKOSA-N 1 0 302.418 3.230 10 0 DGAERO Cc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CC=CCC2)c(C)c1 ZINC000541320243 314007667 /nfs/dbraw/zinc/00/76/67/314007667.db2.gz IFAWIWHCFNFEMH-ZWKOTPCHSA-N 1 0 303.446 3.331 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000541337752 314009384 /nfs/dbraw/zinc/00/93/84/314009384.db2.gz RGBGWQIOXGSRKB-IAGOWNOFSA-N 1 0 307.482 3.249 10 0 DGAERO CC[C@@H]1CCC[C@H](C[NH2+]Cc2n[nH]cc2Br)C1 ZINC000541374525 314012240 /nfs/dbraw/zinc/01/22/40/314012240.db2.gz OSELGCCNCDPCTI-MNOVXSKESA-N 1 0 300.244 3.478 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(Cl)c(F)c1 ZINC000541571894 314024121 /nfs/dbraw/zinc/02/41/21/314024121.db2.gz VXJKFPOANYQDML-PWSUYJOCSA-N 1 0 319.829 3.097 10 0 DGAERO O[C@@H](C[NH2+]C1(C2CC2)CC1)COc1c(Cl)cccc1Cl ZINC000541593970 314026102 /nfs/dbraw/zinc/02/61/02/314026102.db2.gz KOEKZTICDWQXBS-NSHDSACASA-N 1 0 316.228 3.265 10 0 DGAERO CC[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(Cl)s1 ZINC000541814298 314040217 /nfs/dbraw/zinc/04/02/17/314040217.db2.gz TVCNWLVSLXNPJH-NSHDSACASA-N 1 0 317.886 3.446 10 0 DGAERO CCc1ccc(CNC(=O)C[N@H+](C)C[C@H]2CC=CCC2)s1 ZINC000542243886 314064177 /nfs/dbraw/zinc/06/41/77/314064177.db2.gz JUSFACCACLMTRI-AWEZNQCLSA-N 1 0 306.475 3.215 10 0 DGAERO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000542249305 314064719 /nfs/dbraw/zinc/06/47/19/314064719.db2.gz KRBGLMGVQPZBNB-ROUUACIJSA-N 1 0 303.446 3.331 10 0 DGAERO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H]2CC=CCC2)cc1 ZINC000542246861 314064795 /nfs/dbraw/zinc/06/47/95/314064795.db2.gz LJHJIXPVYGXZBQ-HNNXBMFYSA-N 1 0 302.418 3.312 10 0 DGAERO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C[C@@H]2CC=CCC2)c1 ZINC000542255426 314065109 /nfs/dbraw/zinc/06/51/09/314065109.db2.gz YRWLFXMAQIHWGH-QZTJIDSGSA-N 1 0 303.446 3.331 10 0 DGAERO CN(C[C@@H]1CC=CCC1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000542377687 314072907 /nfs/dbraw/zinc/07/29/07/314072907.db2.gz GMLMOHXKAUPKEB-MRXNPFEDSA-N 1 0 307.482 3.249 10 0 DGAERO CCOc1ccc(OC[C@H](O)C[N@H+](C)C[C@H]2CC=CCC2)cc1 ZINC000543175948 314118342 /nfs/dbraw/zinc/11/83/42/314118342.db2.gz WUNAZCZYKNKCKM-DLBZAZTESA-N 1 0 319.445 3.113 10 0 DGAERO C[N@H+](C[C@H](O)COc1ccccc1Cl)C[C@@H]1CC=CCC1 ZINC000544106533 314173333 /nfs/dbraw/zinc/17/33/33/314173333.db2.gz PABBZBVBMYIEOC-CABCVRRESA-N 1 0 309.837 3.368 10 0 DGAERO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccnn2-c2ccccc2)[nH]n1 ZINC000545275707 314240680 /nfs/dbraw/zinc/24/06/80/314240680.db2.gz ZARCJMYIBVCFOA-ZFWWWQNUSA-N 1 0 309.417 3.186 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC000545414785 314250526 /nfs/dbraw/zinc/25/05/26/314250526.db2.gz ZYORKIWXERRJIH-OAHLLOKOSA-N 1 0 309.498 3.186 10 0 DGAERO CCCOc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000547288792 314353982 /nfs/dbraw/zinc/35/39/82/314353982.db2.gz HUGKSTWNESLABC-UHFFFAOYSA-N 1 0 317.433 3.249 10 0 DGAERO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000547363792 314360460 /nfs/dbraw/zinc/36/04/60/314360460.db2.gz IMGSERWRAFIHKU-FOIQADDNSA-N 1 0 310.441 3.403 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000547530518 314378169 /nfs/dbraw/zinc/37/81/69/314378169.db2.gz ACPVGUWSQMDURX-ZDUSSCGKSA-N 1 0 323.403 3.091 10 0 DGAERO C([NH2+][C@@H]1CCCC12CCOCC2)c1nc(C2CCCC2)no1 ZINC000548798824 314475704 /nfs/dbraw/zinc/47/57/04/314475704.db2.gz ISSFXEFNDISHGF-CQSZACIVSA-N 1 0 305.422 3.166 10 0 DGAERO C[C@@H](CCC1CCCC1)[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000556919727 314788368 /nfs/dbraw/zinc/78/83/68/314788368.db2.gz BVJKLNJVZKXFGE-ZFWWWQNUSA-N 1 0 322.415 3.198 10 0 DGAERO c1ccc2c(c1)OC[C@H](CC[NH2+]C1CCC3(CCCO3)CC1)O2 ZINC000562823316 315055303 /nfs/dbraw/zinc/05/53/03/315055303.db2.gz OMIVEIPMFVPDQJ-WUJZJPHMSA-N 1 0 317.429 3.298 10 0 DGAERO Fc1ccc(/C=C\CN2CC[NH2+]C[C@@H]2c2cccnc2)c(F)c1 ZINC000564973338 315216223 /nfs/dbraw/zinc/21/62/23/315216223.db2.gz AFJFOVFGEPEDBN-HCABJEFNSA-N 1 0 315.367 3.020 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000566425070 315344771 /nfs/dbraw/zinc/34/47/71/315344771.db2.gz RYWVABIIXYIUKR-LJQANCHMSA-N 1 0 307.441 3.324 10 0 DGAERO Cc1ccc(-c2noc(C[N@H+]3CCSC[C@H](C)C3)n2)cc1 ZINC000566538338 315356180 /nfs/dbraw/zinc/35/61/80/315356180.db2.gz KAGGPPOPNCZLKK-CYBMUJFWSA-N 1 0 303.431 3.230 10 0 DGAERO c1cc2c(c(C[NH+]3CCC(C4CCOCC4)CC3)c1)NCC2 ZINC000572879830 315824765 /nfs/dbraw/zinc/82/47/65/315824765.db2.gz ZHIXPJFFJOINFL-UHFFFAOYSA-N 1 0 300.446 3.293 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2nnc(C)n2C2CC2)C12CCCCC2 ZINC000572906338 315826398 /nfs/dbraw/zinc/82/63/98/315826398.db2.gz SNWJQQHSSWMVEH-HOTGVXAUSA-N 1 0 318.465 3.139 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)CN1CC[NH+](C2CC2)CC1 ZINC000575600904 316054528 /nfs/dbraw/zinc/05/45/28/316054528.db2.gz WUHMWLMQYYZELL-OWBHPGMISA-N 1 0 322.399 3.471 10 0 DGAERO COC[C@@H](O)C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000577068351 316199639 /nfs/dbraw/zinc/19/96/39/316199639.db2.gz RPFPNCFCGJTDPK-YESZJQIVSA-N 1 0 311.853 3.353 10 0 DGAERO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000577732695 316265109 /nfs/dbraw/zinc/26/51/09/316265109.db2.gz MUBMTOAKYWSIPV-GUBZILKMSA-N 1 0 319.232 3.003 10 0 DGAERO CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(OCC2CC2)cc1 ZINC000578000375 316292688 /nfs/dbraw/zinc/29/26/88/316292688.db2.gz AZFFWTGAUWAATE-SFHVURJKSA-N 1 0 317.429 3.391 10 0 DGAERO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)n1 ZINC000048399789 323209995 /nfs/dbraw/zinc/20/99/95/323209995.db2.gz XPKBFPUZKYCGSQ-UHFFFAOYSA-N 1 0 323.440 3.224 10 0 DGAERO CCC[C@H](C[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1)c1ccccc1 ZINC000180085759 323220902 /nfs/dbraw/zinc/22/09/02/323220902.db2.gz ZCVQMKHSYJYXRB-MISYRCLQSA-N 1 0 318.505 3.347 10 0 DGAERO CCc1cc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)o1 ZINC000180138351 323222197 /nfs/dbraw/zinc/22/21/97/323222197.db2.gz IUYBBKIRBKMQLI-DLBZAZTESA-N 1 0 312.413 3.326 10 0 DGAERO C[C@H]1CN([C@@H](C[NH2+]C(C2CC2)C2CC2)c2cccs2)CCO1 ZINC000180664688 323235534 /nfs/dbraw/zinc/23/55/34/323235534.db2.gz UKSDAIGSEDHBSG-BBRMVZONSA-N 1 0 320.502 3.288 10 0 DGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000181140675 323246829 /nfs/dbraw/zinc/24/68/29/323246829.db2.gz BODRUJKTJCRSSM-FRRDWIJNSA-N 1 0 308.388 3.058 10 0 DGAERO CCn1c2ccccc2nc1NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000181168848 323248102 /nfs/dbraw/zinc/24/81/02/323248102.db2.gz SDFSNJYALHVGNL-ZIAGYGMSSA-N 1 0 314.433 3.292 10 0 DGAERO c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000181299747 323251334 /nfs/dbraw/zinc/25/13/34/323251334.db2.gz KWRKQIWYMQWIKE-QGZVFWFLSA-N 1 0 319.412 3.246 10 0 DGAERO CCCCO[C@H]1C[C@@H]([NH2+]CCc2c(C)nn(C)c2C)C1(C)C ZINC000181440991 323254043 /nfs/dbraw/zinc/25/40/43/323254043.db2.gz AWKJZBCRPNWQSA-SJORKVTESA-N 1 0 307.482 3.153 10 0 DGAERO CC(C)COC[C@H](O)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000181600205 323260919 /nfs/dbraw/zinc/26/09/19/323260919.db2.gz WLIIMSRNEKCALD-RHSMWYFYSA-N 1 0 315.404 3.285 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCCc2nc(C(C)C)no2)C12CCCC2 ZINC000181666873 323263037 /nfs/dbraw/zinc/26/30/37/323263037.db2.gz LXKFLZFREFIXOJ-GJZGRUSLSA-N 1 0 321.465 3.453 10 0 DGAERO COc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)NC(C)(C)C ZINC000181716359 323265578 /nfs/dbraw/zinc/26/55/78/323265578.db2.gz NXHUUCLHOPTHKO-HNNXBMFYSA-N 1 0 306.450 3.287 10 0 DGAERO C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccc(-n2ccnn2)cc1 ZINC000182040879 323281323 /nfs/dbraw/zinc/28/13/23/323281323.db2.gz RWAYZACPVUJIRW-GFCCVEGCSA-N 1 0 313.792 3.167 10 0 DGAERO C[C@@H](C[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)Cc1ccccc1 ZINC000182059384 323282237 /nfs/dbraw/zinc/28/22/37/323282237.db2.gz PEJBBWAFTWPKIL-YLJYHZDGSA-N 1 0 324.468 3.154 10 0 DGAERO CNC(=O)c1cccc(CC[NH2+]C[C@@H](C)Cc2ccccc2)c1 ZINC000182065466 323282257 /nfs/dbraw/zinc/28/22/57/323282257.db2.gz JJCKXJDOHXZBJW-INIZCTEOSA-N 1 0 310.441 3.057 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@H](CC(N)=O)C2CCCCC2)c1 ZINC000182075293 323282984 /nfs/dbraw/zinc/28/29/84/323282984.db2.gz AULQUTYCSRPENF-SUMWQHHRSA-N 1 0 304.434 3.170 10 0 DGAERO CCC1(CC)[C@@H]([NH2+]CCCc2c(C)nn(C)c2C)C[C@@H]1OC ZINC000182110126 323283530 /nfs/dbraw/zinc/28/35/30/323283530.db2.gz PFPNQMSKJGQLFZ-IRXDYDNUSA-N 1 0 307.482 3.153 10 0 DGAERO C[C@@H](CCNC(=O)c1c[nH]c2cc(F)ccc12)[NH+]1CCCCC1 ZINC000182241483 323288675 /nfs/dbraw/zinc/28/86/75/323288675.db2.gz JMSNNBWSLYSSSL-ZDUSSCGKSA-N 1 0 317.408 3.301 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182410798 323297768 /nfs/dbraw/zinc/29/77/68/323297768.db2.gz FWMUAPRUUWGZBY-CQSZACIVSA-N 1 0 321.392 3.062 10 0 DGAERO CCc1cnccc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000182506327 323302180 /nfs/dbraw/zinc/30/21/80/323302180.db2.gz ROQYNGKOJDIZIB-UHFFFAOYSA-N 1 0 309.413 3.492 10 0 DGAERO CCc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1CC ZINC000182745370 323310427 /nfs/dbraw/zinc/31/04/27/323310427.db2.gz GDLQLSDWWMSMCX-CQSZACIVSA-N 1 0 303.450 3.275 10 0 DGAERO C[C@H](CCNC(=O)C1(c2ccc(F)cc2)CC1)[NH+]1CCCCC1 ZINC000183113015 323326015 /nfs/dbraw/zinc/32/60/15/323326015.db2.gz DLMDQLJJZNFJMJ-OAHLLOKOSA-N 1 0 318.436 3.238 10 0 DGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000183131931 323327064 /nfs/dbraw/zinc/32/70/64/323327064.db2.gz NOJAIQHNDKEHPH-OAHLLOKOSA-N 1 0 315.442 3.385 10 0 DGAERO COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC1CCCC1 ZINC000183322355 323334105 /nfs/dbraw/zinc/33/41/05/323334105.db2.gz RRVXQBHELIBMTO-CQSZACIVSA-N 1 0 305.418 3.469 10 0 DGAERO CCC(C)(C)c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000183378326 323336255 /nfs/dbraw/zinc/33/62/55/323336255.db2.gz UFBYRFKKPUKEJV-INIZCTEOSA-N 1 0 309.475 3.041 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000183489255 323339905 /nfs/dbraw/zinc/33/99/05/323339905.db2.gz NHHAVOBFIBGLCV-LBPRGKRZSA-N 1 0 315.417 3.049 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184264898 323360280 /nfs/dbraw/zinc/36/02/80/323360280.db2.gz HYYVABCHFPFANM-INIZCTEOSA-N 1 0 316.449 3.444 10 0 DGAERO COc1ccccc1-c1ccc(C[NH2+]CCCn2ccnn2)cc1 ZINC000184249269 323360468 /nfs/dbraw/zinc/36/04/68/323360468.db2.gz VTVCPMLFMBYWPL-UHFFFAOYSA-N 1 0 322.412 3.134 10 0 DGAERO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCCn1ccnn1 ZINC000184268165 323361037 /nfs/dbraw/zinc/36/10/37/323361037.db2.gz XOTDCYRKQRMAGS-KRWDZBQOSA-N 1 0 314.433 3.295 10 0 DGAERO CC[C@H]([NH2+]CCCn1ccnn1)c1ccccc1OC(F)F ZINC000184267421 323361103 /nfs/dbraw/zinc/36/11/03/323361103.db2.gz VEULXRNVPAQLBN-ZDUSSCGKSA-N 1 0 310.348 3.011 10 0 DGAERO CC[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1nccs1 ZINC000185045820 323379680 /nfs/dbraw/zinc/37/96/80/323379680.db2.gz HZVVQAPTAFZPLI-GFCCVEGCSA-N 1 0 311.357 3.101 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000185324260 323388120 /nfs/dbraw/zinc/38/81/20/323388120.db2.gz QXSWVIACPMKPDE-CQSZACIVSA-N 1 0 319.367 3.467 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000185887103 323397715 /nfs/dbraw/zinc/39/77/15/323397715.db2.gz BERAXYHJYVPFOJ-INIZCTEOSA-N 1 0 320.477 3.157 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000187797283 323418627 /nfs/dbraw/zinc/41/86/27/323418627.db2.gz YDCUIOJALPFUBO-UKRRQHHQSA-N 1 0 310.869 3.347 10 0 DGAERO COC[C@H](C)C[NH2+]CCc1cc(Br)ccc1F ZINC000187748110 323418797 /nfs/dbraw/zinc/41/87/97/323418797.db2.gz FXODBHAEBZXYHP-SNVBAGLBSA-N 1 0 304.203 3.003 10 0 DGAERO COC[C@](C)(CCO)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000189076831 323432849 /nfs/dbraw/zinc/43/28/49/323432849.db2.gz VIADVGSVDZIRAJ-KVZIAJEVSA-N 1 0 305.462 3.338 10 0 DGAERO CC(=O)c1cccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351054995 323536261 /nfs/dbraw/zinc/53/62/61/323536261.db2.gz YNOWVSMCXRTWNV-UHFFFAOYSA-N 1 0 304.309 3.254 10 0 DGAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncc(Br)cc2Cl)C1 ZINC000382408143 323620332 /nfs/dbraw/zinc/62/03/32/323620332.db2.gz CEJBQRHYJWXSFR-VXNVDRBHSA-N 1 0 304.619 3.037 10 0 DGAERO CCOCC(C)(C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000383085348 323624270 /nfs/dbraw/zinc/62/42/70/323624270.db2.gz JXBBNRHUQLOVHY-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO Cc1nnc(CC[NH2+]Cc2ccsc2Br)s1 ZINC000391916659 323672307 /nfs/dbraw/zinc/67/23/07/323672307.db2.gz PUPBQNXOJISUIE-UHFFFAOYSA-N 1 0 318.265 3.003 10 0 DGAERO c1ccc2c(c1)CCCN2CC[NH+]1CCC(c2ccncn2)CC1 ZINC000579446149 323868755 /nfs/dbraw/zinc/86/87/55/323868755.db2.gz HLTRTABEDKIICW-UHFFFAOYSA-N 1 0 322.456 3.109 10 0 DGAERO C[N@H+](C[C@@H](O)CC(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000581138938 324079598 /nfs/dbraw/zinc/07/95/98/324079598.db2.gz XPYZZSYUQGNKGV-AEJSXWLSSA-N 1 0 307.278 3.353 10 0 DGAERO c1c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)[nH]nc1-c1ccccc1 ZINC000582486092 324236062 /nfs/dbraw/zinc/23/60/62/324236062.db2.gz FFIBVEUYCMFJFH-LPHOPBHVSA-N 1 0 311.429 3.468 10 0 DGAERO c1ccc(N2CCC([NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000582975308 324298352 /nfs/dbraw/zinc/29/83/52/324298352.db2.gz FRVVDTCCBNIVOQ-GOSISDBHSA-N 1 0 300.446 3.204 10 0 DGAERO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414968 324350653 /nfs/dbraw/zinc/35/06/53/324350653.db2.gz KTRAKWHWOPWKAP-QFBILLFUSA-N 1 0 302.462 3.228 10 0 DGAERO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C2CCOCC2)CC1 ZINC000584504994 337351462 /nfs/dbraw/zinc/35/14/62/337351462.db2.gz XMCCFWUABIDZTI-INIZCTEOSA-N 1 0 311.466 3.245 10 0 DGAERO C[NH+](C)[C@H]1CC[C@H](Nc2ncnc3cc(F)c(F)cc32)CC1 ZINC000584615218 337372700 /nfs/dbraw/zinc/37/27/00/337372700.db2.gz MOLGGOJZVAIFAL-XYPYZODXSA-N 1 0 306.360 3.193 10 0 DGAERO C=CC(=O)NCCNc1cc(Oc2cccc(Cl)c2)cc[nH+]1 ZINC000584627389 337376153 /nfs/dbraw/zinc/37/61/53/337376153.db2.gz KVBWBDUCFHCTHQ-UHFFFAOYSA-N 1 0 317.776 3.241 10 0 DGAERO O=C(NC1CCCC1)c1cc([C@@H]2C[C@@H]2[NH2+]C2CCC2)cs1 ZINC000584630416 337376780 /nfs/dbraw/zinc/37/67/80/337376780.db2.gz WWNDTVLDEKXLOI-GJZGRUSLSA-N 1 0 304.459 3.419 10 0 DGAERO CC(C)[N@@H+]1CC[C@H]([C@](C(N)=O)(c2ccccc2)C2CCCC2)C1 ZINC000584633797 337377530 /nfs/dbraw/zinc/37/75/30/337377530.db2.gz MTJMHBZMNZKIRT-ICSRJNTNSA-N 1 0 314.473 3.330 10 0 DGAERO CCC[N@@H+]1C[C@H](C(=O)OC)CC2=C1CCc1c(OC)cccc12 ZINC000584660393 337378265 /nfs/dbraw/zinc/37/82/65/337378265.db2.gz YEVGAPOOKUASJR-CYBMUJFWSA-N 1 0 315.413 3.257 10 0 DGAERO C[C@@H](C[NH2+]Cc1nn(C)cc1Br)C1CCCCC1 ZINC000393338994 1176602943 /nfs/dbraw/zinc/60/29/43/1176602943.db2.gz ROBUIPJQDYHPOP-NSHDSACASA-N 1 0 314.271 3.489 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2Br)[C@@H](C)O1 ZINC000394918960 1176771594 /nfs/dbraw/zinc/77/15/94/1176771594.db2.gz RKPHQBGPCNMJAK-KKFJDGPESA-N 1 0 302.187 3.244 10 0 DGAERO CC(C)COC1CC[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000122824718 500609095 /nfs/dbraw/zinc/60/90/95/500609095.db2.gz OSJODJWSEPYQLU-INIZCTEOSA-N 1 0 312.498 3.016 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cncc(Br)c1 ZINC000570292240 500887726 /nfs/dbraw/zinc/88/77/26/500887726.db2.gz ILDDHNXYHHPHSK-MFKMUULPSA-N 1 0 313.239 3.452 10 0 DGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC23CCC3)C1 ZINC000435610062 533794729 /nfs/dbraw/zinc/79/47/29/533794729.db2.gz FUZSQIORKMYEIK-IYBDPMFKSA-N 1 0 307.482 3.083 10 0 DGAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000157454481 533831790 /nfs/dbraw/zinc/83/17/90/533831790.db2.gz SMPHIIIPTPWMSV-NSHDSACASA-N 1 0 303.324 3.398 10 0 DGAERO CC(C)=C(F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000154368802 519391605 /nfs/dbraw/zinc/39/16/05/519391605.db2.gz NORPTEKQJQEBMK-GOEBONIOSA-N 1 0 304.409 3.419 10 0 DGAERO Cc1ccc2[nH+]ccc(N3CCN(c4ccccn4)CC3)c2c1 ZINC000302135826 534520981 /nfs/dbraw/zinc/52/09/81/534520981.db2.gz AYAGNFFXJIKKDW-UHFFFAOYSA-N 1 0 304.397 3.265 10 0 DGAERO c1nc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)co1 ZINC000432752245 534526914 /nfs/dbraw/zinc/52/69/14/534526914.db2.gz JYOPJIWHYBAURP-LJQANCHMSA-N 1 0 311.429 3.163 10 0 DGAERO c1nc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)co1 ZINC000432752244 534527221 /nfs/dbraw/zinc/52/72/21/534527221.db2.gz JYOPJIWHYBAURP-IBGZPJMESA-N 1 0 311.429 3.163 10 0 DGAERO CCCN(C[C@H]1CCCCO1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156288434 521677749 /nfs/dbraw/zinc/67/77/49/521677749.db2.gz IDKVLYGZNZYXLB-GOSISDBHSA-N 1 0 318.461 3.170 10 0 DGAERO CC[C@@H]([NH2+]C[C@H]1CCCN1CCOC)c1ccc(F)cc1F ZINC000163381252 522864326 /nfs/dbraw/zinc/86/43/26/522864326.db2.gz LXZMBHSZXOYUFN-RHSMWYFYSA-N 1 0 312.404 3.116 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccs1 ZINC000089732127 522947622 /nfs/dbraw/zinc/94/76/22/522947622.db2.gz IWQMXEGDTGGERG-UONOGXRCSA-N 1 0 302.447 3.248 10 0 DGAERO CN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156702782 523303522 /nfs/dbraw/zinc/30/35/22/523303522.db2.gz BJHUWAHMDKDFSV-UHFFFAOYSA-N 1 0 300.789 3.215 10 0 DGAERO CCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccccc2F)n1 ZINC000070456230 523821069 /nfs/dbraw/zinc/82/10/69/523821069.db2.gz ULJFJJPSOITVOG-ZDUSSCGKSA-N 1 0 314.408 3.257 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000153567065 524008553 /nfs/dbraw/zinc/00/85/53/524008553.db2.gz VHHMZUZVDGLSBQ-QGZVFWFLSA-N 1 0 320.458 3.073 10 0 DGAERO Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)CCO1 ZINC000328657063 534815426 /nfs/dbraw/zinc/81/54/26/534815426.db2.gz ZYMOJRIMEPIOIB-KBXCAEBGSA-N 1 0 311.385 3.176 10 0 DGAERO C[C@H](CC(=O)N(C)Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000156057549 526221202 /nfs/dbraw/zinc/22/12/02/526221202.db2.gz IIFAANUENMMHDU-UKRRQHHQSA-N 1 0 308.853 3.324 10 0 DGAERO C=Cc1ccc(CCNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000418204915 526271855 /nfs/dbraw/zinc/27/18/55/526271855.db2.gz QLTMHTHHSIRSFA-OAHLLOKOSA-N 1 0 323.440 3.391 10 0 DGAERO CC(C)(C)c1ccc(C[NH2+]CC(C)(C)N2CCOCC2)s1 ZINC000149701938 526776995 /nfs/dbraw/zinc/77/69/95/526776995.db2.gz MTSBHUNZHCNJCA-UHFFFAOYSA-N 1 0 310.507 3.246 10 0 DGAERO CC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000294912923 527277509 /nfs/dbraw/zinc/27/75/09/527277509.db2.gz HXOKLSZHWSYYDO-MRXNPFEDSA-N 1 0 303.402 3.053 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1Cl ZINC000415437172 527302716 /nfs/dbraw/zinc/30/27/16/527302716.db2.gz AGNIYRVZDXUAIA-MEBBXXQBSA-N 1 0 323.824 3.134 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000431116906 527312217 /nfs/dbraw/zinc/31/22/17/527312217.db2.gz FGUZLRDCDWWNHW-QZXDYEHLSA-N 1 0 314.429 3.385 10 0 DGAERO [NH3+][C@@H]1CCCN(c2ccc(-c3ccc(C(F)(F)F)cc3)nn2)C1 ZINC000088343372 527348730 /nfs/dbraw/zinc/34/87/30/527348730.db2.gz GQZHETJTJWHIFV-CYBMUJFWSA-N 1 0 322.334 3.090 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCCCC2)C1 ZINC000237866011 527412695 /nfs/dbraw/zinc/41/26/95/527412695.db2.gz TUZDOQOZTBNATP-PBHICJAKSA-N 1 0 318.436 3.271 10 0 DGAERO OCCC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1Br ZINC000157565793 527546521 /nfs/dbraw/zinc/54/65/21/527546521.db2.gz VWLMQCUYLHGYLB-GFCCVEGCSA-N 1 0 316.214 3.325 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000302579046 527590716 /nfs/dbraw/zinc/59/07/16/527590716.db2.gz DPINDZUAIKNQLI-ZWNOBZJWSA-N 1 0 316.214 3.229 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)c(Cl)c(C)c2)C1 ZINC000442465853 527813192 /nfs/dbraw/zinc/81/31/92/527813192.db2.gz LQAKOADHSUZCDK-CYBMUJFWSA-N 1 0 309.841 3.420 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C12CCC2 ZINC000329198790 527948351 /nfs/dbraw/zinc/94/83/51/527948351.db2.gz VTCZFIPMACPWDJ-HLPPOEQASA-N 1 0 308.466 3.457 10 0 DGAERO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434989804 527959654 /nfs/dbraw/zinc/95/96/54/527959654.db2.gz CLPCDRZHTIZMNK-KRWDZBQOSA-N 1 0 303.406 3.451 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000191113711 528109897 /nfs/dbraw/zinc/10/98/97/528109897.db2.gz XVMUYVLSTZKJPX-RYQLBKOJSA-N 1 0 313.445 3.159 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434575857 528221658 /nfs/dbraw/zinc/22/16/58/528221658.db2.gz PIBVDSIWLKPHQX-KBAYOESNSA-N 1 0 300.446 3.265 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175274039 528250078 /nfs/dbraw/zinc/25/00/78/528250078.db2.gz BJQZMYKYEGUSEE-CABCVRRESA-N 1 0 319.449 3.340 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCCC12CCC2)CC(C)C ZINC000444870863 528272569 /nfs/dbraw/zinc/27/25/69/528272569.db2.gz HQWITJAQQWPUQT-INIZCTEOSA-N 1 0 309.498 3.471 10 0 DGAERO CC[N@H+](CCC(=O)OC(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000441311689 528402281 /nfs/dbraw/zinc/40/22/81/528402281.db2.gz NPZWHLASCSRTLN-OAHLLOKOSA-N 1 0 307.434 3.290 10 0 DGAERO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cnc2cnccn12 ZINC000443851677 528763676 /nfs/dbraw/zinc/76/36/76/528763676.db2.gz DWSCRWWGIKJOGD-UHFFFAOYSA-N 1 0 305.385 3.233 10 0 DGAERO CCCn1cc(C[NH2+]C(C)(C)Cc2ccc(OC)cc2)cn1 ZINC000189453177 528843356 /nfs/dbraw/zinc/84/33/56/528843356.db2.gz BCRUEMLTXNTAGA-UHFFFAOYSA-N 1 0 301.434 3.413 10 0 DGAERO CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000436281593 529015163 /nfs/dbraw/zinc/01/51/63/529015163.db2.gz QBHMDJXPHFEFEA-AQNXPRMDSA-N 1 0 316.489 3.269 10 0 DGAERO CCSCC[NH2+]CCOc1ccc(Br)cc1 ZINC000309230084 529180542 /nfs/dbraw/zinc/18/05/42/529180542.db2.gz SSXGDFZEUKPHMT-UHFFFAOYSA-N 1 0 304.253 3.171 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000177694704 529192164 /nfs/dbraw/zinc/19/21/64/529192164.db2.gz WNPFANVFFFWHLH-DOTOQJQBSA-N 1 0 318.461 3.420 10 0 DGAERO CCSCC[C@H](C)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000132300686 529195341 /nfs/dbraw/zinc/19/53/41/529195341.db2.gz GKWWJPPEASVXGM-WMZOPIPTSA-N 1 0 306.519 3.425 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCCC[C@@H](C)C(C)=O ZINC000155360040 529200563 /nfs/dbraw/zinc/20/05/63/529200563.db2.gz JGUUMEZAQLCQOA-WBVHZDCISA-N 1 0 310.482 3.153 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000444663178 529280293 /nfs/dbraw/zinc/28/02/93/529280293.db2.gz KBOMRSBXLWZFSM-HIFRSBDPSA-N 1 0 318.417 3.254 10 0 DGAERO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449269412 534974551 /nfs/dbraw/zinc/97/45/51/534974551.db2.gz NETMPMPZPDORHK-ZDUSSCGKSA-N 1 0 323.380 3.157 10 0 DGAERO CCCCc1noc([C@H](C)[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)n1 ZINC000451616050 535127555 /nfs/dbraw/zinc/12/75/55/535127555.db2.gz QUJJJNHBWSYOEG-DZKIICNBSA-N 1 0 311.470 3.352 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000471786183 536706072 /nfs/dbraw/zinc/70/60/72/536706072.db2.gz GSWRFUPADNCOMR-XOKHGSTOSA-N 1 0 319.449 3.435 10 0 DGAERO C[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046366937 545680622 /nfs/dbraw/zinc/68/06/22/545680622.db2.gz ZPSHHQMBQCSMKP-CABCVRRESA-N 1 0 321.440 3.088 10 0 DGAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000079511222 545757871 /nfs/dbraw/zinc/75/78/71/545757871.db2.gz WASOYFYYSSABLG-OTYXRUKQSA-N 1 0 301.217 3.313 10 0 DGAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000079519518 545758362 /nfs/dbraw/zinc/75/83/62/545758362.db2.gz REGDKTPRUIVTDO-OTYXRUKQSA-N 1 0 301.217 3.313 10 0 DGAERO CC1(C)C[NH2+]CCN1CCOc1c(Cl)cccc1Cl ZINC000088140043 545807183 /nfs/dbraw/zinc/80/71/83/545807183.db2.gz UJKOBLUIHQBXBJ-UHFFFAOYSA-N 1 0 303.233 3.056 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000089430803 545813942 /nfs/dbraw/zinc/81/39/42/545813942.db2.gz DSBHCFBLKVXNEN-CMPLNLGQSA-N 1 0 322.206 3.342 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000089430761 545814087 /nfs/dbraw/zinc/81/40/87/545814087.db2.gz PKVRZQXZJVCQKX-CMPLNLGQSA-N 1 0 322.206 3.342 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000089454845 545815163 /nfs/dbraw/zinc/81/51/63/545815163.db2.gz GESQGQCQBQJSPZ-GXTWGEPZSA-N 1 0 301.415 3.124 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1scnc1C1CC1)c1ccccc1 ZINC000089605775 545816403 /nfs/dbraw/zinc/81/64/03/545816403.db2.gz YUSWUBWONZZSFG-AWEZNQCLSA-N 1 0 315.442 3.053 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091539403 545836919 /nfs/dbraw/zinc/83/69/19/545836919.db2.gz UDGFUAXXCYSNHB-CABZTGNLSA-N 1 0 301.217 3.079 10 0 DGAERO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)n1 ZINC000093048629 545851243 /nfs/dbraw/zinc/85/12/43/545851243.db2.gz OWJGUXFGKQGXDQ-OAHLLOKOSA-N 1 0 312.369 3.161 10 0 DGAERO CC(C)Cc1ccc([C@@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000126834386 545924877 /nfs/dbraw/zinc/92/48/77/545924877.db2.gz OYXOXPSVZLXRHH-QAPCUYQASA-N 1 0 302.462 3.151 10 0 DGAERO Fc1cc(C[NH2+]C[C@H]2CCCOC2)ccc1Br ZINC000127412626 545930186 /nfs/dbraw/zinc/93/01/86/545930186.db2.gz OIKODHODXMBPAB-LLVKDONJSA-N 1 0 302.187 3.104 10 0 DGAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000136488942 545981830 /nfs/dbraw/zinc/98/18/30/545981830.db2.gz XIIJTDNHKCLUCZ-LLVKDONJSA-N 1 0 319.630 3.414 10 0 DGAERO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000152970857 546006508 /nfs/dbraw/zinc/00/65/08/546006508.db2.gz MXIMREYJUVOPKY-DNVCBOLYSA-N 1 0 312.461 3.423 10 0 DGAERO C[N@H+](CC(C)(C)c1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180078942 546141233 /nfs/dbraw/zinc/14/12/33/546141233.db2.gz CFIVHDVQHUDBMI-GOSISDBHSA-N 1 0 324.472 3.355 10 0 DGAERO CC[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)CCN1CCOC ZINC000180087153 546141373 /nfs/dbraw/zinc/14/13/73/546141373.db2.gz YARRUFQHRMFVFN-GOSISDBHSA-N 1 0 304.478 3.007 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000180327500 546145133 /nfs/dbraw/zinc/14/51/33/546145133.db2.gz VXOTZFDSIQMGJC-MAUKXSAKSA-N 1 0 312.461 3.423 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2c[nH]nc2C)CC1 ZINC000181152076 546154152 /nfs/dbraw/zinc/15/41/52/546154152.db2.gz XVBJYWAUTMEIMY-AWEZNQCLSA-N 1 0 313.449 3.033 10 0 DGAERO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000181917309 546161558 /nfs/dbraw/zinc/16/15/58/546161558.db2.gz MLHSHWQMRNIUNJ-LPHOPBHVSA-N 1 0 302.462 3.278 10 0 DGAERO CC[C@H]1CCC[C@H](C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)C1 ZINC000182933478 546169504 /nfs/dbraw/zinc/16/95/04/546169504.db2.gz RYXVNUDUTAPAAS-IRXDYDNUSA-N 1 0 320.481 3.102 10 0 DGAERO Cc1csc(N2CC[NH+](Cc3cccc4cnccc43)CC2)n1 ZINC000183056213 546170993 /nfs/dbraw/zinc/17/09/93/546170993.db2.gz WEJXZAOZFBLPFQ-UHFFFAOYSA-N 1 0 324.453 3.322 10 0 DGAERO COC1(CNc2c(C)c[nH+]c3c(C)cccc23)CCOCC1 ZINC000185358739 546187703 /nfs/dbraw/zinc/18/77/03/546187703.db2.gz WGHBKONOOJYXAW-UHFFFAOYSA-N 1 0 300.402 3.459 10 0 DGAERO C[C@H]([NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccs1 ZINC000185872018 546190237 /nfs/dbraw/zinc/19/02/37/546190237.db2.gz KXVBNTYMGVBIMH-GXFFZTMASA-N 1 0 308.834 3.149 10 0 DGAERO Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCOC3)C2)c(Cl)c1 ZINC000189446741 546211986 /nfs/dbraw/zinc/21/19/86/546211986.db2.gz OBNZIOBHOHXRKD-QWHCGFSZSA-N 1 0 315.244 3.341 10 0 DGAERO CCc1nnc(C2CC[NH+](Cc3ccc(C)c(F)c3)CC2)[nH]1 ZINC000191694411 546226947 /nfs/dbraw/zinc/22/69/47/546226947.db2.gz OJUYAQQYDCXJDV-UHFFFAOYSA-N 1 0 302.397 3.194 10 0 DGAERO Cc1cc(C[NH2+]CC2CCC(O)CC2)ccc1Br ZINC000227633218 546269217 /nfs/dbraw/zinc/26/92/17/546269217.db2.gz JCHWXCQNOYPIOX-UHFFFAOYSA-N 1 0 312.251 3.398 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000227421005 546268477 /nfs/dbraw/zinc/26/84/77/546268477.db2.gz INMLRRJEXDLHIR-MNOVXSKESA-N 1 0 311.223 3.071 10 0 DGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCC1=CCCC1 ZINC000230699787 546275156 /nfs/dbraw/zinc/27/51/56/546275156.db2.gz LFEBCHMPHBVJFD-UHFFFAOYSA-N 1 0 313.850 3.334 10 0 DGAERO CC(C)([NH3+])CC(=O)NCc1ccccc1OCc1ccccc1 ZINC000236854004 546282609 /nfs/dbraw/zinc/28/26/09/546282609.db2.gz PQBKGKUFPHZFCU-UHFFFAOYSA-N 1 0 312.413 3.009 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCOC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000246342401 546303677 /nfs/dbraw/zinc/30/36/77/546303677.db2.gz GYWQLFFZJJAGQA-VDZJLULYSA-N 1 0 319.445 3.080 10 0 DGAERO Brc1ccccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250084973 546328190 /nfs/dbraw/zinc/32/81/90/546328190.db2.gz NXSHHFUTMAZNLR-GDBMZVCRSA-N 1 0 323.278 3.413 10 0 DGAERO COc1ccc(Cl)cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413824 546330802 /nfs/dbraw/zinc/33/08/02/546330802.db2.gz FYSGEGGJUPKGDQ-CZUORRHYSA-N 1 0 308.853 3.313 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000261871500 546339235 /nfs/dbraw/zinc/33/92/35/546339235.db2.gz XVSSXNQDFVMZKQ-GDIGMMSISA-N 1 0 323.440 3.301 10 0 DGAERO OC[C@@]1([NH2+]C2CCCCCC2)CCCN(Cc2ccccc2)C1 ZINC000302908192 546439318 /nfs/dbraw/zinc/43/93/18/546439318.db2.gz CRIFFFTVJDACLK-HXUWFJFHSA-N 1 0 316.489 3.326 10 0 DGAERO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc4cc[nH]c4c3)n1)OC2 ZINC000329588510 546487548 /nfs/dbraw/zinc/48/75/48/546487548.db2.gz NAEMKOHOXUJPRA-MAUKXSAKSA-N 1 0 324.384 3.144 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]C1CSC1)CS2 ZINC000379777332 546736333 /nfs/dbraw/zinc/73/63/33/546736333.db2.gz DOPVYVFTGPYBPP-SNVBAGLBSA-N 1 0 302.262 3.301 10 0 DGAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC1([NH3+])CC1 ZINC000398156737 546763576 /nfs/dbraw/zinc/76/35/76/546763576.db2.gz GRBWHYPTZUZUDJ-SECBINFHSA-N 1 0 301.217 3.394 10 0 DGAERO Cc1cncc(CC[NH2+]Cc2cc(Cl)sc2Cl)n1 ZINC000402769254 546765685 /nfs/dbraw/zinc/76/56/85/546765685.db2.gz SGJKAMOTTOGMRL-UHFFFAOYSA-N 1 0 302.230 3.486 10 0 DGAERO c1ccc([C@H]2C[C@H]2[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000411425327 546772715 /nfs/dbraw/zinc/77/27/15/546772715.db2.gz MGQIGDAESFTADC-BRWVUGGUSA-N 1 0 308.429 3.418 10 0 DGAERO C[C@@H]([NH2+]CCc1ccccc1O)c1ccnn1-c1ccccc1 ZINC000467339338 546897464 /nfs/dbraw/zinc/89/74/64/546897464.db2.gz TWLHQEFOMNZKHY-OAHLLOKOSA-N 1 0 307.397 3.471 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000479073207 546908886 /nfs/dbraw/zinc/90/88/86/546908886.db2.gz XCOODPWAHYVUBS-OPNNQBFTSA-N 1 0 309.413 3.159 10 0 DGAERO O=C(C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1)NCC(F)F ZINC000482085110 546911396 /nfs/dbraw/zinc/91/13/96/546911396.db2.gz WFJALEYYQAHPCX-INIZCTEOSA-N 1 0 324.415 3.149 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOC1)CS2 ZINC000494456926 546934353 /nfs/dbraw/zinc/93/43/53/546934353.db2.gz PFBDOFKULGESOW-CMPLNLGQSA-N 1 0 314.248 3.365 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cc(F)ccc1F ZINC000675055736 548148785 /nfs/dbraw/zinc/14/87/85/548148785.db2.gz XDJXATFFYGNJLC-RISCZKNCSA-N 1 0 312.360 3.364 10 0 DGAERO COc1ccccc1[C@H]1C[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675055860 548148915 /nfs/dbraw/zinc/14/89/15/548148915.db2.gz ZZWOBKGACOBNRH-TZMCWYRMSA-N 1 0 306.406 3.095 10 0 DGAERO CN1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)c(Br)c1 ZINC000675054959 548149000 /nfs/dbraw/zinc/14/90/00/548149000.db2.gz PHTQJOXUDWOONV-CABZTGNLSA-N 1 0 303.631 3.197 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@](C)([NH+]2CCSCC2)CC1 ZINC000685952469 549810066 /nfs/dbraw/zinc/81/00/66/549810066.db2.gz MLADHFDMQVTFNB-INIZCTEOSA-N 1 0 314.495 3.215 10 0 DGAERO CC[C@]1(C2CN(C(=O)OC(C)(C)C)C2)[NH2+]CCc2sccc21 ZINC000716165183 563465800 /nfs/dbraw/zinc/46/58/00/563465800.db2.gz URABALNDMXEHIO-QGZVFWFLSA-N 1 0 322.474 3.366 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]1CC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000724112412 563496070 /nfs/dbraw/zinc/49/60/70/563496070.db2.gz TYHZIHORGPMALQ-SJCJKPOMSA-N 1 0 322.474 3.414 10 0 DGAERO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712513949 563318566 /nfs/dbraw/zinc/31/85/66/563318566.db2.gz AUOHRYXTKJEIKV-PXAZEXFGSA-N 1 0 322.474 3.366 10 0 DGAERO CC[C@]1(C2CN(C(=O)OC(C)(C)C)C2)[NH2+]CCc2ccsc21 ZINC000716163551 563465548 /nfs/dbraw/zinc/46/55/48/563465548.db2.gz LTABAGHQFSNBGU-QGZVFWFLSA-N 1 0 322.474 3.366 10 0 DGAERO CCCCCCOCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000730772446 574535732 /nfs/dbraw/zinc/53/57/32/574535732.db2.gz NNLVNXRMRMPFDC-MRXNPFEDSA-N 1 0 312.498 3.210 10 0 DGAERO CCCCCCOCC(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000731469792 574550175 /nfs/dbraw/zinc/55/01/75/574550175.db2.gz XPYYZDFQDWGGKL-KRWDZBQOSA-N 1 0 318.461 3.103 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2cc(F)cc(F)c2)C1 ZINC000675052579 563780523 /nfs/dbraw/zinc/78/05/23/563780523.db2.gz BQPDTVPWZRTTAF-ZIAGYGMSSA-N 1 0 312.360 3.283 10 0 DGAERO C/C(=C\C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc(F)c1 ZINC000732055787 574565516 /nfs/dbraw/zinc/56/55/16/574565516.db2.gz FQZDCBDYRIOIRK-FYWRMAATSA-N 1 0 316.420 3.316 10 0 DGAERO O=C1[C@H]([NH2+]C[C@H]2CCc3ccccc32)CCN1c1ccccc1 ZINC000732227263 574569012 /nfs/dbraw/zinc/56/90/12/574569012.db2.gz AUGMAASOANOVSD-VQIMIIECSA-N 1 0 306.409 3.112 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000733897058 574643569 /nfs/dbraw/zinc/64/35/69/574643569.db2.gz CFEMPZWPEFIGFV-UHFFFAOYSA-N 1 0 308.397 3.315 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000734139792 574652971 /nfs/dbraw/zinc/65/29/71/574652971.db2.gz ZTNRVJHVPHHVBO-TZMCWYRMSA-N 1 0 317.458 3.348 10 0 DGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)/C=C(\C)c1cccc(F)c1 ZINC000736101586 574730626 /nfs/dbraw/zinc/73/06/26/574730626.db2.gz LFEWKGDOHLDSKT-WKOYGUFESA-N 1 0 304.409 3.220 10 0 DGAERO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCCC1CC1 ZINC000737057923 574820157 /nfs/dbraw/zinc/82/01/57/574820157.db2.gz NRCWGYZDOSDMMR-UHFFFAOYSA-N 1 0 303.450 3.080 10 0 DGAERO CC(C)[C@]1(C)CC(=O)N(C[N@@H+]2CCC3(C2)CCCCC3)C1=O ZINC000742166950 574983215 /nfs/dbraw/zinc/98/32/15/574983215.db2.gz RLZKGEVTVWVKPR-KRWDZBQOSA-N 1 0 306.450 3.021 10 0 DGAERO C/C(=C\C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccc(F)cc1 ZINC000742372766 574993470 /nfs/dbraw/zinc/99/34/70/574993470.db2.gz VJUVDBOSKHKRCT-WKOYGUFESA-N 1 0 306.425 3.322 10 0 DGAERO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=S)NCCC[NH+](C)C)o1 ZINC000743040036 575032517 /nfs/dbraw/zinc/03/25/17/575032517.db2.gz VXMBTYKDZNGRRL-ZFWWWQNUSA-N 1 0 323.506 3.187 10 0 DGAERO CCC[N@H+](CCSC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729543345 575255488 /nfs/dbraw/zinc/25/54/88/575255488.db2.gz PGIROCPXVZBNAF-CYBMUJFWSA-N 1 0 302.484 3.071 10 0 DGAERO C[C@H](Cn1cccn1)[NH2+]Cc1cc2ccccc2nc1Cl ZINC000729931258 575266765 /nfs/dbraw/zinc/26/67/65/575266765.db2.gz NWIVEDYGGHELOU-GFCCVEGCSA-N 1 0 300.793 3.263 10 0 DGAERO COc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000398111950 575960815 /nfs/dbraw/zinc/96/08/15/575960815.db2.gz DJEWPWOIHKCKMF-YJBOKZPZSA-N 1 0 311.429 3.413 10 0 DGAERO Cc1cn2c([nH+]1)NCC[C@@H]2[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000236045355 575996418 /nfs/dbraw/zinc/99/64/18/575996418.db2.gz AXGKVERTLDCJIB-UONOGXRCSA-N 1 0 320.437 3.195 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000726101510 576007198 /nfs/dbraw/zinc/00/71/98/576007198.db2.gz DWUJZTVNFBATTI-QGZVFWFLSA-N 1 0 317.477 3.481 10 0 DGAERO C/C(=C/C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000727095273 576106803 /nfs/dbraw/zinc/10/68/03/576106803.db2.gz DFDMUFSGHVBDMA-KAMYIIQDSA-N 1 0 304.353 3.309 10 0 DGAERO CC(C)(C)NC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728446620 576183035 /nfs/dbraw/zinc/18/30/35/576183035.db2.gz VZILHYATVADGIM-OAHLLOKOSA-N 1 0 311.539 3.247 10 0 DGAERO Cc1cc(CC2([NH3+])CN(C(=O)OC(C)(C)C)C2)ccc1Cl ZINC000757144250 617651497 /nfs/dbraw/zinc/65/14/97/617651497.db2.gz IQBUDEGJQXEHCK-UHFFFAOYSA-N 1 0 310.825 3.139 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ncc[nH]2)cc1C ZINC000888078206 618016636 /nfs/dbraw/zinc/01/66/36/618016636.db2.gz YUPNPLXEHMUFDM-JLJPHGGASA-N 1 0 315.417 3.155 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000034464626 618097217 /nfs/dbraw/zinc/09/72/17/618097217.db2.gz MNUOJRQTTWDBKO-INIZCTEOSA-N 1 0 304.434 3.076 10 0 DGAERO Cc1cc2ncn(C[NH+]3CCC(Cn4cccn4)CC3)c2cc1C ZINC000152767948 620521715 /nfs/dbraw/zinc/52/17/15/620521715.db2.gz FQLAJEOGCTYWGM-UHFFFAOYSA-N 1 0 323.444 3.219 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(N(C)C)c(Cl)c2)C1 ZINC000153852790 620617893 /nfs/dbraw/zinc/61/78/93/620617893.db2.gz WWNYVYHAMYRXHV-ZDUSSCGKSA-N 1 0 324.856 3.012 10 0 DGAERO CC(C)(C)SCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114643902 621030322 /nfs/dbraw/zinc/03/03/22/621030322.db2.gz ZSWMGIJEMAEVNX-INIZCTEOSA-N 1 0 320.502 3.299 10 0 DGAERO Cn1cccc1C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989917 621071252 /nfs/dbraw/zinc/07/12/52/621071252.db2.gz WKXKYVKIYLDICZ-QGZVFWFLSA-N 1 0 312.413 3.094 10 0 DGAERO CSCCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989726 621071484 /nfs/dbraw/zinc/07/14/84/621071484.db2.gz ZXMGCKMRSOKHBN-INIZCTEOSA-N 1 0 307.459 3.195 10 0 DGAERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000117102144 621351523 /nfs/dbraw/zinc/35/15/23/621351523.db2.gz JXSURSXXYMCEDK-HNNXBMFYSA-N 1 0 317.335 3.396 10 0 DGAERO O[C@@H](c1ccc(Cl)cc1)C1CCN(Cc2cncnc2)CC1 ZINC000124089527 622915945 /nfs/dbraw/zinc/91/59/45/622915945.db2.gz RBUMYNGRUGVYOL-KRWDZBQOSA-N 1 0 317.820 3.076 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000126746421 624064757 /nfs/dbraw/zinc/06/47/57/624064757.db2.gz GDPDOFGMFHDIBK-XJKSGUPXSA-N 1 0 309.475 3.212 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc(Br)cc1F ZINC000127155539 624288328 /nfs/dbraw/zinc/28/83/28/624288328.db2.gz INWCUKSOGOPECG-SDBXPKJASA-N 1 0 302.187 3.010 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(Br)cc1F ZINC000127156008 624288398 /nfs/dbraw/zinc/28/83/98/624288398.db2.gz INWCUKSOGOPECG-ISVAXAHUSA-N 1 0 302.187 3.010 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+]C1CC(c2ccccc2)C1 ZINC000127458725 624407444 /nfs/dbraw/zinc/40/74/44/624407444.db2.gz KWBHUQTZGKFERB-UHFFFAOYSA-N 1 0 304.434 3.437 10 0 DGAERO c1ccc(OCC2CC2)c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000130106554 625814372 /nfs/dbraw/zinc/81/43/72/625814372.db2.gz PBYFZHXFBSIXBJ-UHFFFAOYSA-N 1 0 317.429 3.060 10 0 DGAERO c1csc(CN2CCC[C@@H](C[NH2+][C@@H]3CCCSC3)C2)c1 ZINC000131314370 626623608 /nfs/dbraw/zinc/62/36/08/626623608.db2.gz AAEOGANRTFYMCE-LSDHHAIUSA-N 1 0 310.532 3.445 10 0 DGAERO CC(C)(C)OC(=O)CCc1nc(C2([NH3+])CCCCCCC2)no1 ZINC000757182026 626753380 /nfs/dbraw/zinc/75/33/80/626753380.db2.gz DWNPBRNMCDLDOU-UHFFFAOYSA-N 1 0 323.437 3.242 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)CSC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000134896518 626891258 /nfs/dbraw/zinc/89/12/58/626891258.db2.gz HWJOIOHVQZKOOE-GDBMZVCRSA-N 1 0 320.502 3.297 10 0 DGAERO CCCc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000104981746 630600877 /nfs/dbraw/zinc/60/08/77/630600877.db2.gz RUQVVWBMZAETAZ-QGZVFWFLSA-N 1 0 301.434 3.341 10 0 DGAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000109518476 632213298 /nfs/dbraw/zinc/21/32/98/632213298.db2.gz YCRWBLHOWJVCHR-GFCCVEGCSA-N 1 0 314.216 3.493 10 0 DGAERO COc1ccc(C[NH2+]Cc2ccc(O)c(Cl)c2)c(OC)c1 ZINC000109553931 632227137 /nfs/dbraw/zinc/22/71/37/632227137.db2.gz CLCSKFLSWFAQAC-UHFFFAOYSA-N 1 0 307.777 3.353 10 0 DGAERO CC(C)C(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000110120715 632468786 /nfs/dbraw/zinc/46/87/86/632468786.db2.gz GBMFPPDIPUGPDY-CYBMUJFWSA-N 1 0 311.372 3.376 10 0 DGAERO CCc1ccc([C@@H](COC)[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)o1 ZINC000184817223 660188713 /nfs/dbraw/zinc/18/87/13/660188713.db2.gz DENCOOLLLOSOKK-QZTJIDSGSA-N 1 0 317.429 3.470 10 0 DGAERO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000184988005 660197294 /nfs/dbraw/zinc/19/72/94/660197294.db2.gz JZYUCAXDWXJCAL-DYVFJYSZSA-N 1 0 309.417 3.203 10 0 DGAERO CCO[C@H]1CCC[C@H]([NH2+]Cc2ncc(Br)s2)C1 ZINC000721277657 659915862 /nfs/dbraw/zinc/91/58/62/659915862.db2.gz YQWRZGBPLQGJAV-UWVGGRQHSA-N 1 0 319.268 3.343 10 0 DGAERO c1ccc(C(c2noc(C[C@H]3CC[NH2+]C3)n2)c2ccccc2)cc1 ZINC000325157357 660272687 /nfs/dbraw/zinc/27/26/87/660272687.db2.gz YZDZLZPDFHGDDA-OAHLLOKOSA-N 1 0 319.408 3.402 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)cn2)cn1 ZINC000186196033 660338859 /nfs/dbraw/zinc/33/88/59/660338859.db2.gz UAJSDXHRJOTKGD-UHFFFAOYSA-N 1 0 316.408 3.315 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\SCc1ccco1 ZINC000255111826 660478083 /nfs/dbraw/zinc/47/80/83/660478083.db2.gz ZIYHXJZSDYWBQA-YYRKOSNBSA-N 1 0 322.474 3.263 10 0 DGAERO Cc1nc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)sc1Br ZINC000719275185 662272146 /nfs/dbraw/zinc/27/21/46/662272146.db2.gz SCQRJTMXRFLNPV-HTQZYQBOSA-N 1 0 319.268 3.260 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000700109372 660612665 /nfs/dbraw/zinc/61/26/65/660612665.db2.gz XZUAWPXOSRPQNW-LVQVYYBASA-N 1 0 308.466 3.269 10 0 DGAERO CC(C)CCC[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000700303470 660619236 /nfs/dbraw/zinc/61/92/36/660619236.db2.gz BDBZYARZDXINCG-UHFFFAOYSA-N 1 0 314.470 3.086 10 0 DGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000700349397 660621531 /nfs/dbraw/zinc/62/15/31/660621531.db2.gz VTXBCNQYAQNNKX-GXSJLCMTSA-N 1 0 308.834 3.283 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 ZINC000700745868 660634419 /nfs/dbraw/zinc/63/44/19/660634419.db2.gz ZMHVUIFNZXUYSO-XJKSGUPXSA-N 1 0 320.433 3.183 10 0 DGAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccco1 ZINC000701924937 660695314 /nfs/dbraw/zinc/69/53/14/660695314.db2.gz QXVFMQRBLAILMQ-POZPTJLLSA-N 1 0 306.406 3.330 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@H]1CCC[C@@H]3C[C@@H]31)C2 ZINC000701919186 660691551 /nfs/dbraw/zinc/69/15/51/660691551.db2.gz IZNBLPZMGDRTIB-CBMUFDATSA-N 1 0 306.450 3.164 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000701957214 660693943 /nfs/dbraw/zinc/69/39/43/660693943.db2.gz ZJHRLGTXKXHQDS-RWMBFGLXSA-N 1 0 318.408 3.409 10 0 DGAERO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000702620450 660731932 /nfs/dbraw/zinc/73/19/32/660731932.db2.gz TYMIGWCSYFPMKA-BFHYXJOUSA-N 1 0 302.434 3.408 10 0 DGAERO Cc1cc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCCC2)ccn1 ZINC000703508453 660780227 /nfs/dbraw/zinc/78/02/27/660780227.db2.gz ODGHIZKEZUHIEP-UHFFFAOYSA-N 1 0 319.449 3.317 10 0 DGAERO COC1CC(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000703888326 660795368 /nfs/dbraw/zinc/79/53/68/660795368.db2.gz BPKKRDFHAHVLPF-ACBHZAAOSA-N 1 0 316.489 3.302 10 0 DGAERO CC[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)C1CCCCC1 ZINC000704182069 660805170 /nfs/dbraw/zinc/80/51/70/660805170.db2.gz ULOFXTMXLPVJDW-HOCLYGCPSA-N 1 0 301.496 3.292 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@H]2CSC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC000704625688 660814082 /nfs/dbraw/zinc/81/40/82/660814082.db2.gz ZCBSZIVJLVFYDE-ZOBORPQBSA-N 1 0 314.495 3.116 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]Cc2ccns2)CCN1C(=O)OC(C)(C)C ZINC000704637953 660814366 /nfs/dbraw/zinc/81/43/66/660814366.db2.gz HZYZECVILJVFSH-QWHCGFSZSA-N 1 0 311.451 3.021 10 0 DGAERO c1sc(-c2ccccn2)nc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704812835 660820566 /nfs/dbraw/zinc/82/05/66/660820566.db2.gz CWNNQZYLLPZGPG-GFCCVEGCSA-N 1 0 305.472 3.438 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000705305288 660837289 /nfs/dbraw/zinc/83/72/89/660837289.db2.gz WCYCXGKQVNTVJX-BBRMVZONSA-N 1 0 308.466 3.412 10 0 DGAERO CCN(CCC[NH2+][C@@H](C)[C@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000705989964 660841295 /nfs/dbraw/zinc/84/12/95/660841295.db2.gz SHPBUIQZCNSJGX-LSDHHAIUSA-N 1 0 314.470 3.181 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000705960200 660843534 /nfs/dbraw/zinc/84/35/34/660843534.db2.gz PWCGBIRRUKMBJA-ILXRZTDVSA-N 1 0 314.470 3.179 10 0 DGAERO COc1cc(C[NH2+][C@H](C)C2(C)CC2)cc(Br)c1O ZINC000706790626 660871565 /nfs/dbraw/zinc/87/15/65/660871565.db2.gz KAKKMVYGLXKNJW-SECBINFHSA-N 1 0 314.223 3.442 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCCC12CC2)c1cccc(Br)c1 ZINC000706937073 660882120 /nfs/dbraw/zinc/88/21/20/660882120.db2.gz SBJQANAUELPXSZ-UONOGXRCSA-N 1 0 310.235 3.405 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]CC2=CCCOC2)CCCCC1 ZINC000707886536 660915326 /nfs/dbraw/zinc/91/53/26/660915326.db2.gz XDJYVTWCMWWWRI-UHFFFAOYSA-N 1 0 324.465 3.150 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)c(C)s2)C1 ZINC000708661460 660921749 /nfs/dbraw/zinc/92/17/49/660921749.db2.gz IPBREXHPMHBUHV-AOOOYVTPSA-N 1 0 304.253 3.334 10 0 DGAERO Cc1nc(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)[nH]c1C ZINC000708960992 660923757 /nfs/dbraw/zinc/92/37/57/660923757.db2.gz KDMCQCVSOZSBJU-KRWDZBQOSA-N 1 0 324.469 3.056 10 0 DGAERO c1ccc(CN2CCCCC[C@H]([NH2+]Cc3cncnc3)C2)cc1 ZINC000709646727 660925354 /nfs/dbraw/zinc/92/53/54/660925354.db2.gz QZBJAMSNNYSTBE-IBGZPJMESA-N 1 0 310.445 3.011 10 0 DGAERO CSCC[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000709389466 660928135 /nfs/dbraw/zinc/92/81/35/660928135.db2.gz IRJKFSHXCZTNRQ-DGAVXFQQSA-N 1 0 314.495 3.116 10 0 DGAERO Brc1ccc(C[NH2+]CCc2ccns2)s1 ZINC000709791034 660930363 /nfs/dbraw/zinc/93/03/63/660930363.db2.gz PQVDWZNFSCCWBP-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn(C)cn1 ZINC000710009843 660931429 /nfs/dbraw/zinc/93/14/29/660931429.db2.gz AXEZBOAHCITAED-LPHOPBHVSA-N 1 0 312.461 3.125 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711364965 660949040 /nfs/dbraw/zinc/94/90/40/660949040.db2.gz CDMKRNLXJPRBPW-NSHDSACASA-N 1 0 315.244 3.197 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711406751 660950638 /nfs/dbraw/zinc/95/06/38/660950638.db2.gz KAYKPOMPJZFWSM-CABCVRRESA-N 1 0 324.465 3.077 10 0 DGAERO Cc1ccc(CC[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000711441178 660953140 /nfs/dbraw/zinc/95/31/40/660953140.db2.gz XLNGLWOCPRMBRQ-OKILXGFUSA-N 1 0 308.422 3.023 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC[C@H]2CCSC2)C1 ZINC000711443755 660953254 /nfs/dbraw/zinc/95/32/54/660953254.db2.gz YAUCQFWBRQJHRC-HSBZDZAISA-N 1 0 314.495 3.023 10 0 DGAERO Cc1ccccc1C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711447960 660953269 /nfs/dbraw/zinc/95/32/69/660953269.db2.gz OJYDFGMUCCHWCO-UHFFFAOYSA-N 1 0 304.434 3.388 10 0 DGAERO Cc1cccc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000711449125 660953630 /nfs/dbraw/zinc/95/36/30/660953630.db2.gz VGIKDAPCPYDKBZ-UHFFFAOYSA-N 1 0 304.434 3.388 10 0 DGAERO c1cn(C2CC2)c(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000711744605 660962415 /nfs/dbraw/zinc/96/24/15/660962415.db2.gz DOVPGPQJABDQTQ-GOSISDBHSA-N 1 0 324.472 3.220 10 0 DGAERO C[C@H]1C[C@@H](NCc2nccn2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000711763296 660962565 /nfs/dbraw/zinc/96/25/65/660962565.db2.gz AXXNCYDJUXXNDD-WMZOPIPTSA-N 1 0 324.472 3.361 10 0 DGAERO C[N@H+](Cc1ccccc1)C1(CNCc2nccn2C2CC2)CCC1 ZINC000711764503 660962610 /nfs/dbraw/zinc/96/26/10/660962610.db2.gz KWMUYABOBNFCTP-UHFFFAOYSA-N 1 0 324.472 3.362 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000711487344 660955285 /nfs/dbraw/zinc/95/52/85/660955285.db2.gz NOAZWESJWVNYRS-MELADBBJSA-N 1 0 314.495 3.165 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3ccncc3)CCC[C@H]12 ZINC000711637729 660960224 /nfs/dbraw/zinc/96/02/24/660960224.db2.gz CACJJPMETOAVDN-YJBOKZPZSA-N 1 0 317.433 3.103 10 0 DGAERO c1nc(CNC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cs1 ZINC000067507043 655534254 /nfs/dbraw/zinc/53/42/54/655534254.db2.gz YUOWCYSCSIJORD-QGZVFWFLSA-N 1 0 301.459 3.287 10 0 DGAERO C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000255002840 655557348 /nfs/dbraw/zinc/55/73/48/655557348.db2.gz XUWRUHFGQRTQJB-KYYFRIAHSA-N 1 0 304.409 3.218 10 0 DGAERO CCc1cnc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000234252209 655656376 /nfs/dbraw/zinc/65/63/76/655656376.db2.gz OYHIMNPPBVSKCP-GXTWGEPZSA-N 1 0 323.437 3.020 10 0 DGAERO Clc1cccc(Cl)c1OCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261714863 655665629 /nfs/dbraw/zinc/66/56/29/655665629.db2.gz JQSHMKFUOPKORB-HNNXBMFYSA-N 1 0 315.244 3.058 10 0 DGAERO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(Cl)c1Cl ZINC000724621997 655700470 /nfs/dbraw/zinc/70/04/70/655700470.db2.gz ZUDDZLOEDDRLBU-OXIWPEFWSA-N 1 0 316.228 3.448 10 0 DGAERO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1csc(Cl)c1 ZINC000723879144 655727759 /nfs/dbraw/zinc/72/77/59/655727759.db2.gz LMGJKFCSZSTFJQ-SECBINFHSA-N 1 0 309.884 3.123 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cn1cnc2cc(C)c(C)cc21 ZINC000176081426 655732143 /nfs/dbraw/zinc/73/21/43/655732143.db2.gz ASGLHRDNPOZTSX-KRWDZBQOSA-N 1 0 323.444 3.280 10 0 DGAERO Brc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)o1 ZINC000723978740 655732277 /nfs/dbraw/zinc/73/22/77/655732277.db2.gz RZBGWLIXZBFKBK-SMDDNHRTSA-N 1 0 314.223 3.337 10 0 DGAERO C[C@](O)(C[NH2+][C@@H]1CCCC2(CC2)C1)C(F)(F)C(F)(F)F ZINC000724078083 655740299 /nfs/dbraw/zinc/74/02/99/655740299.db2.gz KDVHFUPOUTZHAT-ZJUUUORDSA-N 1 0 301.299 3.247 10 0 DGAERO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1ccsc1 ZINC000724105344 655741954 /nfs/dbraw/zinc/74/19/54/655741954.db2.gz AVGFZBIDQSBHHQ-CBAPKCEASA-N 1 0 303.296 3.347 10 0 DGAERO CS[C@H]1CCCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724111166 655742468 /nfs/dbraw/zinc/74/24/68/655742468.db2.gz USWVFUZICZKTPD-VHSXEESVSA-N 1 0 321.355 3.153 10 0 DGAERO CS[C@H]1CCCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724111164 655742507 /nfs/dbraw/zinc/74/25/07/655742507.db2.gz USWVFUZICZKTPD-UWVGGRQHSA-N 1 0 321.355 3.153 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN(C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000262127847 655785514 /nfs/dbraw/zinc/78/55/14/655785514.db2.gz NFPHCWXWUBMGCG-SNVBAGLBSA-N 1 0 307.385 3.044 10 0 DGAERO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)cc1Cl ZINC000724668771 655807185 /nfs/dbraw/zinc/80/71/85/655807185.db2.gz KYKDYMIAVZSQOD-MAWWSGROSA-N 1 0 316.228 3.448 10 0 DGAERO CCC[C@@H]([NH2+]Cc1cn(C)nc1Br)C1CCC1 ZINC000712481290 661188935 /nfs/dbraw/zinc/18/89/35/661188935.db2.gz AFFHEXMULODSHJ-GFCCVEGCSA-N 1 0 300.244 3.241 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]CCc1sccc1Br ZINC000713015152 661189701 /nfs/dbraw/zinc/18/97/01/661189701.db2.gz OLEGUWMHZSEQPO-LLVKDONJSA-N 1 0 304.253 3.068 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713364166 661191224 /nfs/dbraw/zinc/19/12/24/661191224.db2.gz GLQKVJJVHAFOMS-ZETOZRRWSA-N 1 0 313.228 3.079 10 0 DGAERO CCOC(=O)/C=C/C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000131033938 655829724 /nfs/dbraw/zinc/82/97/24/655829724.db2.gz JEQRRPSWNGZSGO-SGUJLRQBSA-N 1 0 312.207 3.219 10 0 DGAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000262361246 655834748 /nfs/dbraw/zinc/83/47/48/655834748.db2.gz IPCAOYSYTFHMRQ-VPZXMTGYSA-N 1 0 304.478 3.096 10 0 DGAERO COC[C@@H](C)CNc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000187590280 655846922 /nfs/dbraw/zinc/84/69/22/655846922.db2.gz KOTASDWAVZRTHY-AWEZNQCLSA-N 1 0 323.456 3.051 10 0 DGAERO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cn(C)nc2Br)C1 ZINC000713862016 661194982 /nfs/dbraw/zinc/19/49/82/661194982.db2.gz VKTHALVPFMFZDG-ZYHUDNBSSA-N 1 0 300.244 3.193 10 0 DGAERO CCC[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1Br ZINC000713862759 661195059 /nfs/dbraw/zinc/19/50/59/661195059.db2.gz ZNUBCLZVLISHEP-LBPRGKRZSA-N 1 0 300.244 3.337 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C/C=C\CNC(=O)OC(C)(C)C)C12CCC2 ZINC000309696589 655876241 /nfs/dbraw/zinc/87/62/41/655876241.db2.gz SRWKUJOOKLEDDK-NHQLZKDQSA-N 1 0 324.465 3.005 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2(C)CC(F)(F)C2)C1 ZINC000714243091 661198354 /nfs/dbraw/zinc/19/83/54/661198354.db2.gz XEKLQTRDVLLWCA-LBPRGKRZSA-N 1 0 318.408 3.411 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714362388 661198788 /nfs/dbraw/zinc/19/87/88/661198788.db2.gz XTQNTUKPYNYHGF-FPCVCCKLSA-N 1 0 301.496 3.004 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000309852828 655885485 /nfs/dbraw/zinc/88/54/85/655885485.db2.gz KEVFPQKJUACFGY-LSDHHAIUSA-N 1 0 320.433 3.175 10 0 DGAERO CC[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cccc(Cl)c1 ZINC000714364939 661199147 /nfs/dbraw/zinc/19/91/47/661199147.db2.gz KANRVALLDHKPKW-GJZGRUSLSA-N 1 0 315.866 3.348 10 0 DGAERO CCCc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000179690809 655912378 /nfs/dbraw/zinc/91/23/78/655912378.db2.gz YWVMSIYYMWHNFI-YOEHRIQHSA-N 1 0 301.434 3.340 10 0 DGAERO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccccc2Cl)C[N@@H+]1C1CC1 ZINC000177135716 655914152 /nfs/dbraw/zinc/91/41/52/655914152.db2.gz NIEGPZNGHHLTOG-SVTFUTLMSA-N 1 0 304.821 3.095 10 0 DGAERO Cc1nc(CN(C)CC[C@@H]([NH3+])C(C)C)sc1Br ZINC000719258419 655932229 /nfs/dbraw/zinc/93/22/29/655932229.db2.gz UIYLRVJVSIVCFB-SNVBAGLBSA-N 1 0 320.300 3.019 10 0 DGAERO CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc2c(c1)CCO2 ZINC000177745811 655945081 /nfs/dbraw/zinc/94/50/81/655945081.db2.gz MKPFRNQEXWKRNG-SFHVURJKSA-N 1 0 313.445 3.255 10 0 DGAERO C/C(=C/c1cccc(Cl)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000255882074 655947533 /nfs/dbraw/zinc/94/75/33/655947533.db2.gz AEYNYESHTJXFTF-DDKJEQMHSA-N 1 0 304.821 3.050 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(Cl)s1 ZINC000037020850 661213745 /nfs/dbraw/zinc/21/37/45/661213745.db2.gz SQEKCOQFLPHPHT-MFKMUULPSA-N 1 0 320.845 3.293 10 0 DGAERO COC(C)(C)C[C@@H](C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000715076575 661207677 /nfs/dbraw/zinc/20/76/77/661207677.db2.gz ISPQTUMEFKWFLP-IYXRBSQSSA-N 1 0 314.470 3.083 10 0 DGAERO c1cn(-c2cc(C[NH2+]Cc3cc4ccccc4o3)ccn2)cn1 ZINC000236575541 655961885 /nfs/dbraw/zinc/96/18/85/655961885.db2.gz RGQOUDZIVXYJSI-UHFFFAOYSA-N 1 0 304.353 3.303 10 0 DGAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)C1(Cl)CC1 ZINC000715108013 661208522 /nfs/dbraw/zinc/20/85/22/661208522.db2.gz DDMNHKRCMXKPQN-UNXYVOJBSA-N 1 0 302.846 3.039 10 0 DGAERO C[C@@H](CC[NH2+]Cc1nc(Br)c[nH]1)c1ccccc1 ZINC000310985528 655967361 /nfs/dbraw/zinc/96/73/61/655967361.db2.gz UQHVHWKBWOGQJR-NSHDSACASA-N 1 0 308.223 3.456 10 0 DGAERO O[C@@H](C[C@H]1COCC[N@@H+]1CC1CCCCCC1)c1ccco1 ZINC000180721674 655968383 /nfs/dbraw/zinc/96/83/83/655968383.db2.gz OCTQMPRSRVUAJU-IRXDYDNUSA-N 1 0 307.434 3.374 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]CC[C@H]1CCCS1 ZINC000715636097 661213237 /nfs/dbraw/zinc/21/32/37/661213237.db2.gz LYLXNUKNLGRZHG-QGZVFWFLSA-N 1 0 301.459 3.307 10 0 DGAERO CCCn1cc([C@@H](C)[NH2+]C[C@@H](C)COCc2ccccc2)nn1 ZINC000715891989 661215473 /nfs/dbraw/zinc/21/54/73/661215473.db2.gz CHRBTXGQYMGLGU-HZPDHXFCSA-N 1 0 316.449 3.192 10 0 DGAERO C[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)CC1(C)OCCO1 ZINC000715910626 661215533 /nfs/dbraw/zinc/21/55/33/661215533.db2.gz OLUOEDSRLLULLA-FAEJEUNOSA-N 1 0 319.445 3.113 10 0 DGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000309690160 656040608 /nfs/dbraw/zinc/04/06/08/656040608.db2.gz CRXHQUZBJDGDHI-QWRGUYRKSA-N 1 0 314.376 3.356 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccns1 ZINC000716034638 661216625 /nfs/dbraw/zinc/21/66/25/661216625.db2.gz RQICOGCEYRZHAN-UTUOFQBUSA-N 1 0 311.451 3.097 10 0 DGAERO C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccns1 ZINC000716021754 661216722 /nfs/dbraw/zinc/21/67/22/661216722.db2.gz QESIUWSRORTIPH-NSHDSACASA-N 1 0 311.451 3.193 10 0 DGAERO COC(=O)c1sccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716064954 661217108 /nfs/dbraw/zinc/21/71/08/661217108.db2.gz GSYNLAMNPFPMNC-VGPLMAKISA-N 1 0 311.472 3.299 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccns1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716045797 661217165 /nfs/dbraw/zinc/21/71/65/661217165.db2.gz CDNRHVIDPJTLPL-MNOVXSKESA-N 1 0 311.451 3.049 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccns1 ZINC000715991404 661217968 /nfs/dbraw/zinc/21/79/68/661217968.db2.gz CXEBKUXPNLFLKT-NWDGAFQWSA-N 1 0 311.451 3.193 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@]2(O)CCc3ccccc32)cc1 ZINC000182653393 656107137 /nfs/dbraw/zinc/10/71/37/656107137.db2.gz XJMPSOIRLVJGHB-FOIQADDNSA-N 1 0 311.425 3.222 10 0 DGAERO CS[C@@H](C)CC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183199606 656111365 /nfs/dbraw/zinc/11/13/65/656111365.db2.gz LWQATYJNSBXVAV-GOEBONIOSA-N 1 0 307.459 3.336 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716620435 661225218 /nfs/dbraw/zinc/22/52/18/661225218.db2.gz BBAQGURIIJPHTJ-VRKREXBASA-N 1 0 308.466 3.268 10 0 DGAERO Cc1cccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1C ZINC000309681004 656114113 /nfs/dbraw/zinc/11/41/13/656114113.db2.gz FQDVQYNPTORNSJ-SREVYHEPSA-N 1 0 304.434 3.474 10 0 DGAERO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000716655109 661226262 /nfs/dbraw/zinc/22/62/62/661226262.db2.gz BABASUJQGAEFNS-DBRBJDLLSA-N 1 0 308.466 3.171 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186196308 656130489 /nfs/dbraw/zinc/13/04/89/656130489.db2.gz WUNJFSAFEJAMGI-UHFFFAOYSA-N 1 0 302.418 3.059 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cccc(F)c1Br ZINC000716831233 661229323 /nfs/dbraw/zinc/22/93/23/661229323.db2.gz QQHKHUXLTFHQHC-ONGXEEELSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(Br)c(C)s1 ZINC000716808535 661229610 /nfs/dbraw/zinc/22/96/10/661229610.db2.gz AEYFBBNWRFQVKI-WPRPVWTQSA-N 1 0 306.269 3.458 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000716884997 661230117 /nfs/dbraw/zinc/23/01/17/661230117.db2.gz JWFZAQCYGGCSEL-MWLCHTKSSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000716862477 661230170 /nfs/dbraw/zinc/23/01/70/661230170.db2.gz SRYUIBGHRHBREP-NOZJJQNGSA-N 1 0 304.203 3.227 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000123769226 656183333 /nfs/dbraw/zinc/18/33/33/656183333.db2.gz DLDZSZVEXJSCFZ-HNNXBMFYSA-N 1 0 316.445 3.249 10 0 DGAERO [NH3+][C@H]1CN(c2ncc(Cl)cc2Cl)CC[C@H]1C(F)(F)F ZINC000716986285 661236727 /nfs/dbraw/zinc/23/67/27/661236727.db2.gz MBZFMTXGWMNLGE-APPZFPTMSA-N 1 0 314.138 3.104 10 0 DGAERO C[C@H]1CCCN(C(=O)c2cscc2C(F)F)[C@H]1CC[NH3+] ZINC000717222074 661257551 /nfs/dbraw/zinc/25/75/51/661257551.db2.gz AVRVXKAFVOBAHX-CABZTGNLSA-N 1 0 302.390 3.275 10 0 DGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(C)c1O ZINC000245893857 656393426 /nfs/dbraw/zinc/39/34/26/656393426.db2.gz QPTGBEZWSQVATQ-BPUTZDHNSA-N 1 0 303.402 3.007 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(C)c1O ZINC000245893848 656393547 /nfs/dbraw/zinc/39/35/47/656393547.db2.gz QPTGBEZWSQVATQ-BMFZPTHFSA-N 1 0 303.402 3.007 10 0 DGAERO C[NH2+]CCC1CCN(C(=O)c2cscc2C(F)F)CC1 ZINC000717241318 661259283 /nfs/dbraw/zinc/25/92/83/661259283.db2.gz KAAYJFADIRAGFK-UHFFFAOYSA-N 1 0 302.390 3.147 10 0 DGAERO CC[N@H+](CCc1nccs1)C[C@H](O)c1cc(F)ccc1F ZINC000159170487 656426025 /nfs/dbraw/zinc/42/60/25/656426025.db2.gz DYXNAGRTVZHAPG-AWEZNQCLSA-N 1 0 312.385 3.019 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)C2)cc1 ZINC000723633504 656496780 /nfs/dbraw/zinc/49/67/80/656496780.db2.gz PAXZWKKDXHQEDO-HAGHYFMRSA-N 1 0 314.473 3.056 10 0 DGAERO C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000723620719 656496901 /nfs/dbraw/zinc/49/69/01/656496901.db2.gz HREWBVWBRNYKEM-RSPOEFSDSA-N 1 0 316.489 3.302 10 0 DGAERO CC[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000723847529 656502474 /nfs/dbraw/zinc/50/24/74/656502474.db2.gz JRWMCWGCTBRJSJ-CQSZACIVSA-N 1 0 317.882 3.452 10 0 DGAERO CC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@H]1CCCOC1 ZINC000723952348 656504561 /nfs/dbraw/zinc/50/45/61/656504561.db2.gz QVKOVOSDVYUNJF-RBUKOAKNSA-N 1 0 313.445 3.226 10 0 DGAERO CS[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724055761 656507185 /nfs/dbraw/zinc/50/71/85/656507185.db2.gz AOICSEBFIYGHBV-IVZWLZJFSA-N 1 0 321.355 3.199 10 0 DGAERO C[C@@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000187363693 661285017 /nfs/dbraw/zinc/28/50/17/661285017.db2.gz NMWMEXQCMLHMHH-DGCLKSJQSA-N 1 0 311.813 3.163 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1CC[NH2+]Cc1cccc(O)c1 ZINC000227640667 656844591 /nfs/dbraw/zinc/84/45/91/656844591.db2.gz IAIMLVFNXBTCLK-OAHLLOKOSA-N 1 0 320.433 3.271 10 0 DGAERO O[C@@H](C[NH2+]CCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000063100346 656860742 /nfs/dbraw/zinc/86/07/42/656860742.db2.gz PKTHNVHCPRJTAB-JTQLQIEISA-N 1 0 301.230 3.281 10 0 DGAERO CC1(C[NH2+]CC(=O)Nc2ccc(Br)cc2)CCC1 ZINC000232852231 656932882 /nfs/dbraw/zinc/93/28/82/656932882.db2.gz QPGHJHSWPLCKDW-UHFFFAOYSA-N 1 0 311.223 3.167 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cccc(F)c1Cl ZINC000261654328 656945227 /nfs/dbraw/zinc/94/52/27/656945227.db2.gz APYPQBNQWOYHFX-SWKMLJDHSA-N 1 0 310.800 3.115 10 0 DGAERO COC1CC([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000234711289 656945945 /nfs/dbraw/zinc/94/59/45/656945945.db2.gz DCVQOWRFCZVQJL-UHFFFAOYSA-N 1 0 310.235 3.462 10 0 DGAERO C/C(=C\C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000178766564 657043077 /nfs/dbraw/zinc/04/30/77/657043077.db2.gz CYWLIQXJPQHFRA-FYWRMAATSA-N 1 0 300.446 3.327 10 0 DGAERO OC1(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CCCCC1 ZINC000178842833 657082597 /nfs/dbraw/zinc/08/25/97/657082597.db2.gz OXAOGJBJWYBKDI-UHFFFAOYSA-N 1 0 302.393 3.360 10 0 DGAERO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccccc1C(F)(F)F ZINC000261829338 657119550 /nfs/dbraw/zinc/11/95/50/657119550.db2.gz BIDWJHGPQYXNOK-NSHDSACASA-N 1 0 315.339 3.217 10 0 DGAERO C[NH2+][C@@H](C)Cc1noc(-c2sccc2SC(F)F)n1 ZINC000261897764 657170425 /nfs/dbraw/zinc/17/04/25/657170425.db2.gz YEIOAGLSVFBOJO-LURJTMIESA-N 1 0 305.375 3.263 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c(C)c1 ZINC000261971982 657268764 /nfs/dbraw/zinc/26/87/64/657268764.db2.gz QFZJEJNOPYCITD-LAQRGFTBSA-N 1 0 300.446 3.401 10 0 DGAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000094750827 657414308 /nfs/dbraw/zinc/41/43/08/657414308.db2.gz SIDZHWFCEYDKIZ-IFWUJCSASA-N 1 0 306.372 3.131 10 0 DGAERO Cc1conc1CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000720344463 657429370 /nfs/dbraw/zinc/42/93/70/657429370.db2.gz HTAYMZWRDAGIKP-SFHVURJKSA-N 1 0 313.445 3.373 10 0 DGAERO COc1ccccc1/C=C\CN1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000096698242 657552201 /nfs/dbraw/zinc/55/22/01/657552201.db2.gz CPPZMAHGBWDCRC-BJIFSAINSA-N 1 0 300.446 3.267 10 0 DGAERO O[C@@H]1C[N@H+](C/C=C\c2ccco2)CC[C@H]1c1ccc(F)cc1 ZINC000096840062 657559324 /nfs/dbraw/zinc/55/93/24/657559324.db2.gz SFFWPTSAAWCYTQ-NDHWGYPPSA-N 1 0 301.361 3.282 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](c2nc(Cc3ccc(Br)cc3)no2)C1 ZINC000097067762 657591232 /nfs/dbraw/zinc/59/12/32/657591232.db2.gz YDEZQZZPHGTXGY-ZYHUDNBSSA-N 1 0 322.206 3.018 10 0 DGAERO CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000054324422 657820379 /nfs/dbraw/zinc/82/03/79/657820379.db2.gz FWVSWHVRRITETB-MRXNPFEDSA-N 1 0 312.498 3.208 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@H]1C(F)(F)F ZINC000720845537 658149024 /nfs/dbraw/zinc/14/90/24/658149024.db2.gz RFQDPCBFAAQXSQ-NXEZZACHSA-N 1 0 310.722 3.048 10 0 DGAERO Cc1cc(Cl)ccc1CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878817 658156061 /nfs/dbraw/zinc/15/60/61/658156061.db2.gz UOVJVOWWAFOWKE-WCQYABFASA-N 1 0 306.759 3.217 10 0 DGAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccccn1 ZINC000721877018 658326958 /nfs/dbraw/zinc/32/69/58/658326958.db2.gz XPSLYTXGTPXOPR-DZGCQCFKSA-N 1 0 319.449 3.378 10 0 DGAERO CC[C@](C)(C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)OC ZINC000322620984 658549474 /nfs/dbraw/zinc/54/94/74/658549474.db2.gz NOYWHQWXTXKZSR-GRDNDAEWSA-N 1 0 314.470 3.037 10 0 DGAERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000721215421 658686459 /nfs/dbraw/zinc/68/64/59/658686459.db2.gz PMNPBRRKOMDYGL-ZQDZILKHSA-N 1 0 314.470 3.225 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000721866900 658755893 /nfs/dbraw/zinc/75/58/93/658755893.db2.gz BWOBISBUVDOQNZ-LLVKDONJSA-N 1 0 316.214 3.181 10 0 DGAERO O[C@@H](CC[NH2+]CCc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000722108497 658775726 /nfs/dbraw/zinc/77/57/26/658775726.db2.gz OQWARMDLNQPUPQ-NSHDSACASA-N 1 0 316.150 3.439 10 0 DGAERO O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000165732228 659002380 /nfs/dbraw/zinc/00/23/80/659002380.db2.gz HLTVWHIZRFMGRS-ZDUSSCGKSA-N 1 0 321.852 3.268 10 0 DGAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2nccs2)CCCC1 ZINC000225810825 659083387 /nfs/dbraw/zinc/08/33/87/659083387.db2.gz ZHHXYLSTTRKVMW-UHFFFAOYSA-N 1 0 311.451 3.070 10 0 DGAERO Fc1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c(F)cc1Cl ZINC000167744170 659107877 /nfs/dbraw/zinc/10/78/77/659107877.db2.gz UWTQGGUPOAXLRR-MRVPVSSYSA-N 1 0 313.735 3.210 10 0 DGAERO COC1CC([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000226401370 659114446 /nfs/dbraw/zinc/11/44/46/659114446.db2.gz UWMJXLLVYMLJMD-UHFFFAOYSA-N 1 0 310.235 3.462 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+]Cc2ccc(Cl)o2)C1 ZINC000227578077 659158182 /nfs/dbraw/zinc/15/81/82/659158182.db2.gz UVRKUWRJGCDPFU-UHFFFAOYSA-N 1 0 300.786 3.078 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000227586637 659158721 /nfs/dbraw/zinc/15/87/21/659158721.db2.gz VBWZXNDOBZXSKB-SWLSCSKDSA-N 1 0 306.406 3.301 10 0 DGAERO [NH3+][C@@H]1CC[C@H](CNc2ncc(Br)cc2Cl)C1 ZINC000227649145 659160324 /nfs/dbraw/zinc/16/03/24/659160324.db2.gz AIXAZEFZKJMMBB-IONNQARKSA-N 1 0 304.619 3.037 10 0 DGAERO C[C@H](Cc1ccco1)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227657850 659161076 /nfs/dbraw/zinc/16/10/76/659161076.db2.gz BOWLLKCOJMQRRZ-HUUCEWRRSA-N 1 0 322.449 3.447 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C/C[NH2+][C@H]1CCc2ccccc2C1 ZINC000227757281 659163223 /nfs/dbraw/zinc/16/32/23/659163223.db2.gz SJQLRBKQDNQQAH-LXXRFIIISA-N 1 0 316.445 3.214 10 0 DGAERO Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000227758783 659163246 /nfs/dbraw/zinc/16/32/46/659163246.db2.gz AJGUETGZQRRZBI-VOTSOKGWSA-N 1 0 304.434 3.474 10 0 DGAERO OCCCCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000228734753 659208189 /nfs/dbraw/zinc/20/81/89/659208189.db2.gz ILKGWTUNSHQNOP-CYBMUJFWSA-N 1 0 314.223 3.025 10 0 DGAERO Cc1sc(C[NH2+][C@H](C)c2cn[nH]c2)cc1Br ZINC000229629617 659272625 /nfs/dbraw/zinc/27/26/25/659272625.db2.gz WNXGPSIEWDPASY-SSDOTTSWSA-N 1 0 300.225 3.393 10 0 DGAERO Cc1cccc2c1CCN(C(=O)[C@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000171618631 659291733 /nfs/dbraw/zinc/29/17/33/659291733.db2.gz KCRUNDIDCHTLDL-FQEVSTJZSA-N 1 0 322.452 3.053 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1cccc(Br)c1 ZINC000230204549 659318004 /nfs/dbraw/zinc/31/80/04/659318004.db2.gz GOZNAUKIMGUCQS-GXFFZTMASA-N 1 0 314.223 3.251 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+]Cc1cccn1CCC(C)C ZINC000172627531 659347423 /nfs/dbraw/zinc/34/74/23/659347423.db2.gz PFHLDAXDKQVKNA-SFHVURJKSA-N 1 0 316.445 3.366 10 0 DGAERO CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000721986611 659631122 /nfs/dbraw/zinc/63/11/22/659631122.db2.gz XSKJNOUDMKHZID-LLVKDONJSA-N 1 0 302.205 3.113 10 0 DGAERO CN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089390908 659639602 /nfs/dbraw/zinc/63/96/02/659639602.db2.gz FLPFMHONAOCHSM-JQWIXIFHSA-N 1 0 300.855 3.125 10 0 DGAERO Clc1ccc(Cc2noc(C[C@H]3CC[NH2+]C3)n2)c(Cl)c1 ZINC000089713488 659862601 /nfs/dbraw/zinc/86/26/01/659862601.db2.gz GVHBCHFRFVKYRA-SECBINFHSA-N 1 0 312.200 3.119 10 0 DGAERO CCc1ccc(CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000352202256 659879439 /nfs/dbraw/zinc/87/94/39/659879439.db2.gz XTPHMNGNZRLLED-YJBOKZPZSA-N 1 0 314.473 3.470 10 0 DGAERO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ncc(Br)s2)C1 ZINC000721277658 659915795 /nfs/dbraw/zinc/91/57/95/659915795.db2.gz YQWRZGBPLQGJAV-VHSXEESVSA-N 1 0 319.268 3.343 10 0 DGAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(C(C)(C)C)cc1 ZINC000170832101 659917015 /nfs/dbraw/zinc/91/70/15/659917015.db2.gz TWCFNCCYRHPTAC-RHSMWYFYSA-N 1 0 317.477 3.391 10 0 DGAERO Cc1nccn1C[C@@H]1CCCN1C(=O)NC1CCCCCCC1 ZINC000175514239 659922999 /nfs/dbraw/zinc/92/29/99/659922999.db2.gz QWERKJSVFXRVNL-KRWDZBQOSA-N 1 0 318.465 3.478 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000170858717 659936968 /nfs/dbraw/zinc/93/69/68/659936968.db2.gz MKRKKKNKHSYZRJ-JTQLQIEISA-N 1 0 308.834 3.331 10 0 DGAERO O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237790582 659942054 /nfs/dbraw/zinc/94/20/54/659942054.db2.gz OMUSLZISZIBPMX-HPCHECBXSA-N 1 0 318.383 3.144 10 0 DGAERO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000180127957 659953017 /nfs/dbraw/zinc/95/30/17/659953017.db2.gz GPYQAYLWMGULTP-NVXWUHKLSA-N 1 0 314.454 3.486 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3n[nH]cc32)CN1Cc1ccccc1 ZINC000353393769 659973856 /nfs/dbraw/zinc/97/38/56/659973856.db2.gz KDABKJSBIFBQEW-KYJSFNMBSA-N 1 0 310.445 3.040 10 0 DGAERO Brc1cc(C[NH2+][C@@H]2CCCc3n[nH]cc32)cs1 ZINC000353408644 659974498 /nfs/dbraw/zinc/97/44/98/659974498.db2.gz UKHYBGKMQJCKTF-SNVBAGLBSA-N 1 0 312.236 3.401 10 0 DGAERO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccnc2Cl)cc1F ZINC000181369824 659996278 /nfs/dbraw/zinc/99/62/78/659996278.db2.gz QAJIKNIQGOWUBM-NSHDSACASA-N 1 0 321.783 3.472 10 0 DGAERO c1[nH]nc2c1[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000353590205 660004920 /nfs/dbraw/zinc/00/49/20/660004920.db2.gz IRVIFHNJTQHMMI-DOTOQJQBSA-N 1 0 302.466 3.174 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1cccc(Br)c1 ZINC000182580370 660063544 /nfs/dbraw/zinc/06/35/44/660063544.db2.gz VXAQLZPLCLFJHU-QWRGUYRKSA-N 1 0 312.207 3.053 10 0 DGAERO CC[C@H]1C[C@H](C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000183158559 660103093 /nfs/dbraw/zinc/10/30/93/660103093.db2.gz LTBQFZKLACABAQ-FGTMMUONSA-N 1 0 317.429 3.009 10 0 DGAERO C=CCCO[C@@H](C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183186409 660104238 /nfs/dbraw/zinc/10/42/38/660104238.db2.gz VJLRZOCERRAKHR-WMZOPIPTSA-N 1 0 317.429 3.175 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000183489081 660117751 /nfs/dbraw/zinc/11/77/51/660117751.db2.gz KRIXVYOEHWSPHN-CYBMUJFWSA-N 1 0 313.445 3.255 10 0 DGAERO C[N@H+](CCCOC(=O)c1cccc(Cl)n1)Cc1ccccc1 ZINC000183488659 660117960 /nfs/dbraw/zinc/11/79/60/660117960.db2.gz HUHPABQYRFXBFN-UHFFFAOYSA-N 1 0 318.804 3.414 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000183481189 660118662 /nfs/dbraw/zinc/11/86/62/660118662.db2.gz YDEXUBJDXOUBPM-NSHDSACASA-N 1 0 306.841 3.369 10 0 DGAERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000183634673 660128220 /nfs/dbraw/zinc/12/82/20/660128220.db2.gz PWEAVAJATHAATD-SWLSCSKDSA-N 1 0 304.346 3.098 10 0 DGAERO CC(C)COc1ccc([C@H](C)NC(=O)CCCCC[NH3+])cc1 ZINC000155344435 661845335 /nfs/dbraw/zinc/84/53/35/661845335.db2.gz UXJOCHSCZQVEPD-HNNXBMFYSA-N 1 0 306.450 3.418 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)CC2CCOCC2)cc1 ZINC000155738136 661851929 /nfs/dbraw/zinc/85/19/29/661851929.db2.gz MLYZFHCWANYVJB-UHFFFAOYSA-N 1 0 322.474 3.319 10 0 DGAERO COc1cccc(F)c1[C@@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000190325072 662028365 /nfs/dbraw/zinc/02/83/65/662028365.db2.gz ALUAHKJKSLXIDH-CYBMUJFWSA-N 1 0 323.408 3.418 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192190414 662091220 /nfs/dbraw/zinc/09/12/20/662091220.db2.gz IDPCMUDWDXUQND-GXTWGEPZSA-N 1 0 319.449 3.083 10 0 DGAERO CC(=O)CCCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000192432814 662098155 /nfs/dbraw/zinc/09/81/55/662098155.db2.gz RDDCCPWFOCVARK-GOSISDBHSA-N 1 0 317.429 3.201 10 0 DGAERO COc1ccc([C@H](C)C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000192951551 662116895 /nfs/dbraw/zinc/11/68/95/662116895.db2.gz OIXVJZVSTYKPFX-KGLIPLIRSA-N 1 0 322.449 3.302 10 0 DGAERO C/C(=C/C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C(C)(C)C ZINC000080307239 662135934 /nfs/dbraw/zinc/13/59/34/662135934.db2.gz SJZPEIQHEXMEIO-LCYFTJDESA-N 1 0 306.425 3.496 10 0 DGAERO CN(C(=O)c1ccc2nc(Cl)ccc2c1)[C@H]1CCC[N@H+](C)C1 ZINC000081736349 662172172 /nfs/dbraw/zinc/17/21/72/662172172.db2.gz OXWZFJAKIGFOFZ-AWEZNQCLSA-N 1 0 317.820 3.054 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717942703 662211593 /nfs/dbraw/zinc/21/15/93/662211593.db2.gz INHOLVVWZRVDSP-ZJUUUORDSA-N 1 0 311.369 3.469 10 0 DGAERO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(C(F)(F)F)s1 ZINC000717985002 662213135 /nfs/dbraw/zinc/21/31/35/662213135.db2.gz VILKMGHFFALDRO-GZMMTYOYSA-N 1 0 311.394 3.286 10 0 DGAERO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(C(F)(F)F)s1 ZINC000717989799 662213155 /nfs/dbraw/zinc/21/31/55/662213155.db2.gz LMNIILGSLVAHCB-RQJHMYQMSA-N 1 0 303.296 3.434 10 0 DGAERO COC[C@@H](CC[NH2+][C@H](C)c1ccc(C(F)(F)F)s1)OC ZINC000717959495 662213478 /nfs/dbraw/zinc/21/34/78/662213478.db2.gz WOXCAHSIECWWHC-NXEZZACHSA-N 1 0 311.369 3.469 10 0 DGAERO COC[C@H](CC[NH2+][C@H](C)c1ccc(C(F)(F)F)s1)OC ZINC000717959501 662213540 /nfs/dbraw/zinc/21/35/40/662213540.db2.gz WOXCAHSIECWWHC-ZJUUUORDSA-N 1 0 311.369 3.469 10 0 DGAERO Cc1coc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000718031562 662214812 /nfs/dbraw/zinc/21/48/12/662214812.db2.gz RQAHWBXWUGIWQF-CQSZACIVSA-N 1 0 308.422 3.467 10 0 DGAERO [NH3+]C1CC(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000718040388 662215217 /nfs/dbraw/zinc/21/52/17/662215217.db2.gz FTXZTIWXZTVDAX-UHFFFAOYSA-N 1 0 310.397 3.332 10 0 DGAERO Cc1coc(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000718059490 662216724 /nfs/dbraw/zinc/21/67/24/662216724.db2.gz UPPBEOLRZMNRFS-OAHLLOKOSA-N 1 0 320.433 3.467 10 0 DGAERO O[C@@]12CCCC[C@H]1CN(Cn1nc(Cl)c3ccccc31)CC2 ZINC000246200483 662250586 /nfs/dbraw/zinc/25/05/86/662250586.db2.gz LVFCMNYAQCMOLF-SUMWQHHRSA-N 1 0 319.836 3.274 10 0 DGAERO C[C@H](CC(=O)N1CCCC[C@@H]1c1nccs1)[C@H]1CCC[NH2+]C1 ZINC000246216559 662250856 /nfs/dbraw/zinc/25/08/56/662250856.db2.gz GJCJMMNAPHJBFW-QLFBSQMISA-N 1 0 321.490 3.223 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000718350436 662253191 /nfs/dbraw/zinc/25/31/91/662253191.db2.gz DNPXPEMPEBSTJG-TZMCWYRMSA-N 1 0 313.239 3.281 10 0 DGAERO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000718425916 662254877 /nfs/dbraw/zinc/25/48/77/662254877.db2.gz MDOWNCZCLZMAOJ-FKTRJACZSA-N 1 0 301.217 3.298 10 0 DGAERO COCC(C)(C)CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000718711999 662260377 /nfs/dbraw/zinc/26/03/77/662260377.db2.gz ZIIAROYCRKJBAL-UHFFFAOYSA-N 1 0 304.478 3.303 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]C/C=C/CNC(=O)OC(C)(C)C)CC1 ZINC000718734929 662260888 /nfs/dbraw/zinc/26/08/88/662260888.db2.gz MPBXOVSXVUFNAI-ICWYTKJFSA-N 1 0 312.454 3.005 10 0 DGAERO CO[C@](C)(C[NH2+]Cc1nc(C)c(Br)s1)C1CC1 ZINC000719209096 662271507 /nfs/dbraw/zinc/27/15/07/662271507.db2.gz DGRVZAZGXNBQGB-GFCCVEGCSA-N 1 0 319.268 3.119 10 0 DGAERO Cc1nc(C[NH2+]C[C@@H]2CCOC2(C)C)sc1Br ZINC000719259830 662272297 /nfs/dbraw/zinc/27/22/97/662272297.db2.gz WGGAJOLKZWZKQL-VIFPVBQESA-N 1 0 319.268 3.119 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CS[C@@H](C)C2)sc1Br ZINC000719318922 662273708 /nfs/dbraw/zinc/27/37/08/662273708.db2.gz ZNPKMTNDRUUZDC-XPUUQOCRSA-N 1 0 307.282 3.198 10 0 DGAERO CC[C@@H](CSC)[NH2+]Cc1nc(C)c(Br)s1 ZINC000719326884 662273950 /nfs/dbraw/zinc/27/39/50/662273950.db2.gz JRIUJVHMAHAENY-QMMMGPOBSA-N 1 0 309.298 3.445 10 0 DGAERO CO[C@]1(C[NH2+][C@H](C)c2cnc3ccsc3c2)CCSC1 ZINC000719323465 662274013 /nfs/dbraw/zinc/27/40/13/662274013.db2.gz JZUHAQQQACAPTD-ABAIWWIYSA-N 1 0 308.472 3.469 10 0 DGAERO CO[C@H]1C[C@H]([NH2+]Cc2nc(C)c(Br)s2)C1(C)C ZINC000719325433 662274027 /nfs/dbraw/zinc/27/40/27/662274027.db2.gz BMYDKFFWNRSEPV-IUCAKERBSA-N 1 0 319.268 3.117 10 0 DGAERO CC1CCC(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000246770794 662277387 /nfs/dbraw/zinc/27/73/87/662277387.db2.gz PWZADBHHMROMDG-SJJHQCBESA-N 1 0 307.434 3.230 10 0 DGAERO Cc1ccc(Cc2noc(-c3csc([C@H](C)[NH3+])n3)n2)cc1 ZINC000090938902 662286285 /nfs/dbraw/zinc/28/62/85/662286285.db2.gz XSZIGGCSFPNOIH-JTQLQIEISA-N 1 0 300.387 3.112 10 0 DGAERO Cc1ccc(C[NH2+]Cc2ccc[nH]c2=O)c(C)c1Br ZINC000719614240 662294619 /nfs/dbraw/zinc/29/46/19/662294619.db2.gz SUFOBDVIRCKJFN-UHFFFAOYSA-N 1 0 321.218 3.456 10 0 DGAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3sc(Br)cc32)CCN1C ZINC000719644804 662295134 /nfs/dbraw/zinc/29/51/34/662295134.db2.gz HWRQMGOKXHDEPB-DVVUODLYSA-N 1 0 315.280 3.180 10 0 DGAERO C[C@@H](O)CCC[N@H+](C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000719990520 662300202 /nfs/dbraw/zinc/30/02/02/662300202.db2.gz NIIVSCWUPKQHIU-MJGOQNOKSA-N 1 0 304.478 3.134 10 0 DGAERO Cc1nc(C[NH2+]CCOC(F)(F)C(F)(F)F)sc1C ZINC000720230727 662306339 /nfs/dbraw/zinc/30/63/39/662306339.db2.gz NCPJLJREOQLVGU-UHFFFAOYSA-N 1 0 304.284 3.021 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000720193166 662306488 /nfs/dbraw/zinc/30/64/88/662306488.db2.gz HXKBZFXJQFOBAT-SECBINFHSA-N 1 0 304.203 3.491 10 0 DGAERO CCCCOC(=O)CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247543084 662325151 /nfs/dbraw/zinc/32/51/51/662325151.db2.gz PHCSJGWNZIJLKP-QZTJIDSGSA-N 1 0 319.445 3.308 10 0 DGAERO O=C(C[C@H]1CCCCO1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248394059 662343907 /nfs/dbraw/zinc/34/39/07/662343907.db2.gz XTDVCFFQPXHGNR-MSOLQXFVSA-N 1 0 317.429 3.153 10 0 DGAERO O=C(OCCC[C@H]1CCCO1)[C@@H]1CCCN1Cc1ccccc1 ZINC000248526278 662351217 /nfs/dbraw/zinc/35/12/17/662351217.db2.gz UZOYZBGDRRYTQO-MSOLQXFVSA-N 1 0 317.429 3.153 10 0 DGAERO COc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000093757724 662359575 /nfs/dbraw/zinc/35/95/75/662359575.db2.gz DDXFEFIGMHSBNH-OAHLLOKOSA-N 1 0 320.433 3.184 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000248833298 662360389 /nfs/dbraw/zinc/36/03/89/662360389.db2.gz MMBZPLRGJOTDQH-IQMDTDKHSA-N 1 0 318.244 3.261 10 0 DGAERO C[C@@H]1OCCC[C@@H]1C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248848826 662360453 /nfs/dbraw/zinc/36/04/53/662360453.db2.gz ANOKHGHJYXGGDM-SZMVWBNQSA-N 1 0 317.429 3.009 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000093061224 685064740 /nfs/dbraw/zinc/06/47/40/685064740.db2.gz LUYXNEKIFXQBLJ-CQSZACIVSA-N 1 0 313.470 3.248 10 0 DGAERO c1ccc(N2CC[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000093061225 685064944 /nfs/dbraw/zinc/06/49/44/685064944.db2.gz LUYXNEKIFXQBLJ-AWEZNQCLSA-N 1 0 313.470 3.248 10 0 DGAERO CCCCNC(=S)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379714224 685149383 /nfs/dbraw/zinc/14/93/83/685149383.db2.gz HUSHYNRLNLXKOT-KRWDZBQOSA-N 1 0 319.518 3.305 10 0 DGAERO CCOc1ccccc1C[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381878380 685160682 /nfs/dbraw/zinc/16/06/82/685160682.db2.gz NRPIXCTYDBCPSE-HJWRWDBZSA-N 1 0 320.433 3.256 10 0 DGAERO Cc1nc(Cl)cc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000381878449 685160700 /nfs/dbraw/zinc/16/07/00/685160700.db2.gz NVAGSKYWIZHFIK-HNNXBMFYSA-N 1 0 316.836 3.149 10 0 DGAERO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CC2CCC1CC2)C1CC1 ZINC000381975283 685161484 /nfs/dbraw/zinc/16/14/84/685161484.db2.gz IGFPFAWVFJFBFU-BGHVQYPCSA-N 1 0 308.466 3.458 10 0 DGAERO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000382122083 685162312 /nfs/dbraw/zinc/16/23/12/685162312.db2.gz UHRNQKUCGDAPMF-KFWWJZLASA-N 1 0 314.470 3.227 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@@H](C)O1 ZINC000384869693 685172899 /nfs/dbraw/zinc/17/28/99/685172899.db2.gz IHAKBXNMJRCJIB-SWCHFVSRSA-N 1 0 324.465 3.072 10 0 DGAERO Cc1ccncc1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000389499410 685194688 /nfs/dbraw/zinc/19/46/88/685194688.db2.gz VMCUZASWJXRDTD-OAHLLOKOSA-N 1 0 310.319 3.232 10 0 DGAERO O[C@H](C[NH2+]CCCCOCc1ccccc1)c1ccc(F)cc1 ZINC000390574361 685203239 /nfs/dbraw/zinc/20/32/39/685203239.db2.gz CDTHVYPPYWAQHQ-LJQANCHMSA-N 1 0 317.404 3.446 10 0 DGAERO C[C@H]1CC[C@@H]1[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000390714781 685204187 /nfs/dbraw/zinc/20/41/87/685204187.db2.gz BXLODORPBLPLOD-YOEHRIQHSA-N 1 0 302.418 3.176 10 0 DGAERO CCC[C@H](C)C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390723579 685204315 /nfs/dbraw/zinc/20/43/15/685204315.db2.gz ZVZUBYZUEMHAME-HKUYNNGSSA-N 1 0 304.478 3.303 10 0 DGAERO C[C@@H](C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000390784637 685205583 /nfs/dbraw/zinc/20/55/83/685205583.db2.gz VJPSRTUPEXUAHD-CDNLZTBQSA-N 1 0 304.434 3.461 10 0 DGAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CSC2(C)C)CC1 ZINC000393882878 685219917 /nfs/dbraw/zinc/21/99/17/685219917.db2.gz NPEYTPLVXAQHKD-CYBMUJFWSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC000394639945 685222660 /nfs/dbraw/zinc/22/26/60/685222660.db2.gz YWQSEKBUSOTZMH-GHMZBOCLSA-N 1 0 314.376 3.356 10 0 DGAERO CCOC[C@H](C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000395074620 685225139 /nfs/dbraw/zinc/22/51/39/685225139.db2.gz AGFFEMFCBPABNW-RRFJBIMHSA-N 1 0 314.470 3.179 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)o1 ZINC000396523796 685227379 /nfs/dbraw/zinc/22/73/79/685227379.db2.gz DNYDDDGQDOIEGG-TZMCWYRMSA-N 1 0 323.437 3.169 10 0 DGAERO Cc1cc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)ccc1F ZINC000397638532 685230940 /nfs/dbraw/zinc/23/09/40/685230940.db2.gz QKPDDLSVXNFZCI-UHFFFAOYSA-N 1 0 308.397 3.091 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)o1 ZINC000398966851 685238782 /nfs/dbraw/zinc/23/87/82/685238782.db2.gz RTMFMYAYPULIEK-RISCZKNCSA-N 1 0 323.437 3.169 10 0 DGAERO Ic1ccc(C[NH2+]CCC2CC2)cc1 ZINC000083894476 1176157866 /nfs/dbraw/zinc/15/78/66/1176157866.db2.gz LXQZJOOAZTVOPR-UHFFFAOYSA-N 1 0 301.171 3.181 10 0 DGAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CS1 ZINC000227662661 1176499166 /nfs/dbraw/zinc/49/91/66/1176499166.db2.gz QNIXFOCIOXZDFO-IHRRRGAJSA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000393340439 1176603608 /nfs/dbraw/zinc/60/36/08/1176603608.db2.gz ZWHSYGZQSJQAIN-RYUDHWBXSA-N 1 0 314.271 3.487 10 0 DGAERO CO[C@@H](C[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)C1CC1 ZINC000378825013 1176738177 /nfs/dbraw/zinc/73/81/77/1176738177.db2.gz OSNYKLWEGJTWJY-HIFRSBDPSA-N 1 0 314.470 3.085 10 0 DGAERO COc1cc(C[NH2+]C/C=C/C2CC2)cc(Br)c1O ZINC000394097168 1176745327 /nfs/dbraw/zinc/74/53/27/1176745327.db2.gz OSHSJKPXLHFSMM-NSCUHMNNSA-N 1 0 312.207 3.219 10 0 DGAERO CC(C)[N@H+](C)CCCNCc1cccc(Br)c1F ZINC000395009662 1176755806 /nfs/dbraw/zinc/75/58/06/1176755806.db2.gz KDUDRAYILXGUBP-UHFFFAOYSA-N 1 0 317.246 3.408 10 0 DGAERO C[C@H](O)C[C@H](C)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000228089424 1176802632 /nfs/dbraw/zinc/80/26/32/1176802632.db2.gz VZSHESSWTJZPIJ-ZSVAQUKISA-N 1 0 312.251 3.444 10 0 DGAERO Cc1ccc(O)c(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000379656778 1176804741 /nfs/dbraw/zinc/80/47/41/1176804741.db2.gz QMLNGVTZMXGPKB-INIZCTEOSA-N 1 0 313.445 3.096 10 0 DGAERO CN(C)C1(C[NH2+]C2CC(c3ccccc3Br)C2)CC1 ZINC000397795473 1177012070 /nfs/dbraw/zinc/01/20/70/1177012070.db2.gz FWEQIZOCIDCHGT-UHFFFAOYSA-N 1 0 323.278 3.379 10 0 DGAERO COc1ccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)cc1 ZINC000397820757 1177012699 /nfs/dbraw/zinc/01/26/99/1177012699.db2.gz DUYUGJFUTSQPQQ-UHFFFAOYSA-N 1 0 308.422 3.090 10 0 DGAERO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CC1CCC(O)CC1 ZINC000398133817 1177016559 /nfs/dbraw/zinc/01/65/59/1177016559.db2.gz KKQIIFSPMNLIIW-LYBXBRPPSA-N 1 0 318.505 3.284 10 0 DGAERO CC[C@H](COC)[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC000381933442 1177018270 /nfs/dbraw/zinc/01/82/70/1177018270.db2.gz SRFFPTAXPYARMJ-UONOGXRCSA-N 1 0 302.459 3.085 10 0 DGAERO CC(C)CC[NH2+]Cc1ccccc1I ZINC000308507138 1177077661 /nfs/dbraw/zinc/07/76/61/1177077661.db2.gz JDTIRBJYYLIIPO-UHFFFAOYSA-N 1 0 303.187 3.427 10 0 DGAERO Fc1ccc(Br)c(F)c1C[NH2+]CCC(F)F ZINC000309413218 1177097074 /nfs/dbraw/zinc/09/70/74/1177097074.db2.gz WZCCIBCCEUBRPU-UHFFFAOYSA-N 1 0 300.093 3.472 10 0 DGAERO Cc1n[nH]c(C)c1C[NH2+]CCc1ccc(Br)cc1 ZINC000386591855 1177408160 /nfs/dbraw/zinc/40/81/60/1177408160.db2.gz DLKMQPISPLDJTJ-UHFFFAOYSA-N 1 0 308.223 3.121 10 0 DGAERO C[C@@H](CN(C)C)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000168610610 1177413173 /nfs/dbraw/zinc/41/31/73/1177413173.db2.gz DBVLYSSVSQIYHB-HIFPTAJRSA-N 1 0 311.267 3.235 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000085357267 1177647006 /nfs/dbraw/zinc/64/70/06/1177647006.db2.gz TXZGBMYHAKRNFJ-OCCSQVGLSA-N 1 0 315.244 3.170 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]CCCOC1CCCC1 ZINC000057972472 1194929740 /nfs/dbraw/zinc/92/97/40/1194929740.db2.gz SZABKHCTQZANMC-UHFFFAOYSA-N 1 0 313.445 3.370 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+]CCOc1ccccc1 ZINC000061555508 1195199430 /nfs/dbraw/zinc/19/94/30/1195199430.db2.gz BVQPDIIZHSISRY-UHFFFAOYSA-N 1 0 307.397 3.100 10 0 DGAERO FC(F)(F)COCCC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000064792159 1195368410 /nfs/dbraw/zinc/36/84/10/1195368410.db2.gz VMWQPYDONZNVNQ-UHFFFAOYSA-N 1 0 317.351 3.499 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@H](C)C(=O)N[C@H](C)CC)cc1Cl ZINC000066991202 1195583704 /nfs/dbraw/zinc/58/37/04/1195583704.db2.gz MUXJQYGARYYANH-CHWSQXEVSA-N 1 0 324.852 3.298 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@H](OC)C(C)(C)C)cc1OC ZINC000072925276 1196122671 /nfs/dbraw/zinc/12/26/71/1196122671.db2.gz DDZFYBYAYGAWSK-KRWDZBQOSA-N 1 0 307.434 3.411 10 0 DGAERO C=CCOc1ccc(C[NH2+][C@H](CCO)CSC)cc1Cl ZINC000077462154 1196598587 /nfs/dbraw/zinc/59/85/87/1196598587.db2.gz UFDALPMNLJULDW-CYBMUJFWSA-N 1 0 315.866 3.108 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1cccc(O)c1)C1CC1 ZINC000083456031 1197429725 /nfs/dbraw/zinc/42/97/25/1197429725.db2.gz OUDBPYDYYYVZLR-GOSISDBHSA-N 1 0 320.433 3.175 10 0 DGAERO C[C@@H]1CC[N@H+](CC2CCC(O)CC2)CCN1Cc1ccccc1 ZINC000382643134 1197704965 /nfs/dbraw/zinc/70/49/65/1197704965.db2.gz APOJJJDDZOZDRH-QHGAOEGBSA-N 1 0 316.489 3.134 10 0 DGAERO Cc1cc(C#N)cc(NCC2([N@H+](C)Cc3ccccc3)CCC2)n1 ZINC000386788846 1197707692 /nfs/dbraw/zinc/70/76/92/1197707692.db2.gz NWDRUFZUJHRHDI-UHFFFAOYSA-N 1 0 320.440 3.150 10 0 DGAERO CCCn1cncc1C[NH2+][C@H](C)CCOCc1ccccc1 ZINC000389946140 1197711574 /nfs/dbraw/zinc/71/15/74/1197711574.db2.gz QCVPNHSKMGZXPK-MRXNPFEDSA-N 1 0 301.434 3.378 10 0 DGAERO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000390728942 1197713514 /nfs/dbraw/zinc/71/35/14/1197713514.db2.gz ULZQRMFPBMMMLW-YJBOKZPZSA-N 1 0 306.413 3.337 10 0 DGAERO CCOCCCC[NH2+]Cc1cc(F)ccc1Br ZINC000090169768 1198116103 /nfs/dbraw/zinc/11/61/03/1198116103.db2.gz WBRQEJLAJZGHTK-UHFFFAOYSA-N 1 0 304.203 3.495 10 0 DGAERO C[C@H](Cc1ccsc1)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360705 1198383714 /nfs/dbraw/zinc/38/37/14/1198383714.db2.gz DFDDUKXPOSIOBN-OEAJRASXSA-N 1 0 306.475 3.106 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CSC2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722676 1199416842 /nfs/dbraw/zinc/41/68/42/1199416842.db2.gz BXYGAWACXBPUOW-AGIUHOORSA-N 1 0 314.495 3.116 10 0 DGAERO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]CCCC2CC2)C1 ZINC000401976608 1199428471 /nfs/dbraw/zinc/42/84/71/1199428471.db2.gz VODLOGBGDMWMQQ-QGZVFWFLSA-N 1 0 302.418 3.177 10 0 DGAERO C[C@@H]1C[N@H+](CCCCCO)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404326231 1199549017 /nfs/dbraw/zinc/54/90/17/1199549017.db2.gz MQGVOKFMOMYDQU-KZNAEPCWSA-N 1 0 304.478 3.132 10 0 DGAERO C[C@H]([NH2+]Cc1csc(Br)c1)c1cnn(C)c1 ZINC000303220040 1199589090 /nfs/dbraw/zinc/58/90/90/1199589090.db2.gz PNJWVYPFNMPPID-QMMMGPOBSA-N 1 0 300.225 3.095 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCC(F)F)C12CCC2 ZINC000405360543 1199597991 /nfs/dbraw/zinc/59/79/91/1199597991.db2.gz UAMAXHIPHIRSOT-GHMZBOCLSA-N 1 0 304.381 3.067 10 0 DGAERO CCCn1cncc1C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000405901095 1199601536 /nfs/dbraw/zinc/60/15/36/1199601536.db2.gz CDQCNBOZYPXPGI-UHFFFAOYSA-N 1 0 324.469 3.076 10 0 DGAERO CC(C)(CO)CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000305080092 1199672606 /nfs/dbraw/zinc/67/26/06/1199672606.db2.gz PZNAVBFLJFJXCN-UHFFFAOYSA-N 1 0 318.230 3.477 10 0 DGAERO OC1CCC(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000309856534 1199711741 /nfs/dbraw/zinc/71/17/41/1199711741.db2.gz LIJJDGJJHPHQGV-AVAKVYKDSA-N 1 0 303.446 3.076 10 0 DGAERO OC1CCC(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000309856539 1199711818 /nfs/dbraw/zinc/71/18/18/1199711818.db2.gz LIJJDGJJHPHQGV-CUYAVPTFSA-N 1 0 303.446 3.076 10 0 DGAERO CCOC1CC([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000309858276 1199711879 /nfs/dbraw/zinc/71/18/79/1199711879.db2.gz MDHFUWCUOOMMKG-WLYUNCDWSA-N 1 0 314.470 3.227 10 0 DGAERO Clc1ccc(C[NH2+]CCOC[C@@H]2CCCO2)cc1Cl ZINC000115625850 1199756499 /nfs/dbraw/zinc/75/64/99/1199756499.db2.gz JSHQGEMIXLULII-LBPRGKRZSA-N 1 0 304.217 3.279 10 0 DGAERO c1ccc(CN2CCC[C@H]([NH2+]CCOCC3CCCC3)C2)cc1 ZINC000313278280 1199760980 /nfs/dbraw/zinc/76/09/80/1199760980.db2.gz FPYCYSOLAJLEMQ-FQEVSTJZSA-N 1 0 316.489 3.447 10 0 DGAERO c1nc(CC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cs1 ZINC000130259146 1200908715 /nfs/dbraw/zinc/90/87/15/1200908715.db2.gz JCCFXGYQPHTDJJ-KRWDZBQOSA-N 1 0 318.442 3.033 10 0 DGAERO c1ccc(OCC2CC2)c(C[NH2+]C[C@@H]2CSCCS2)c1 ZINC000151113840 1201058209 /nfs/dbraw/zinc/05/82/09/1201058209.db2.gz IXOMTXAADZXRAS-OAHLLOKOSA-N 1 0 309.500 3.414 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CC[C@H](C)[S@](C)=O ZINC000133448248 1201190488 /nfs/dbraw/zinc/19/04/88/1201190488.db2.gz ILCVRIYRBMJNTD-APPDUMDISA-N 1 0 318.280 3.004 10 0 DGAERO CC1CCN(CC[NH2+]Cc2sccc2Br)CC1 ZINC000135506219 1201206295 /nfs/dbraw/zinc/20/62/95/1201206295.db2.gz CRJDDYDMSORQLN-UHFFFAOYSA-N 1 0 317.296 3.332 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000195172597 1201491654 /nfs/dbraw/zinc/49/16/54/1201491654.db2.gz OPNVDUCCEJZXOK-RVKKMQEKSA-N 1 0 308.466 3.365 10 0 DGAERO CC1(C[NH2+]Cc2ccc(Br)c(F)c2)CCOCC1 ZINC000217858015 1202528439 /nfs/dbraw/zinc/52/84/39/1202528439.db2.gz QOFUZVOETMITJT-UHFFFAOYSA-N 1 0 316.214 3.495 10 0 DGAERO FC(F)(F)c1cccnc1NCC[NH2+]Cc1ccsc1 ZINC000152757301 1202595132 /nfs/dbraw/zinc/59/51/32/1202595132.db2.gz LJCLOKSUOHGXQL-UHFFFAOYSA-N 1 0 301.337 3.364 10 0 DGAERO CCN(CC[NH2+]Cc1cccc(COC)c1)C(=O)OC(C)(C)C ZINC000230652559 1202598582 /nfs/dbraw/zinc/59/85/82/1202598582.db2.gz RTKSLMQNDNMHEG-UHFFFAOYSA-N 1 0 322.449 3.180 10 0 DGAERO c1nc2cnccn2c1C[NH2+]CCc1cccc2ccccc21 ZINC000156602741 1202600919 /nfs/dbraw/zinc/60/09/19/1202600919.db2.gz ZFAGWYDFODDHGY-UHFFFAOYSA-N 1 0 302.381 3.215 10 0 DGAERO CCC[NH2+]Cc1cc(Cl)ccc1I ZINC000233117583 1202602320 /nfs/dbraw/zinc/60/23/20/1202602320.db2.gz SEFKWMFDMFLCLM-UHFFFAOYSA-N 1 0 309.578 3.444 10 0 DGAERO c1[nH]nc2cc(C[NH2+]CCCOCCc3ccccc3)ccc12 ZINC000236723199 1202622289 /nfs/dbraw/zinc/62/22/89/1202622289.db2.gz ZLLWESDBJCICDF-UHFFFAOYSA-N 1 0 309.413 3.302 10 0 DGAERO FC(F)Oc1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000237881194 1202747420 /nfs/dbraw/zinc/74/74/20/1202747420.db2.gz RZYIPZSRAKJFFX-AWEZNQCLSA-N 1 0 321.323 3.218 10 0 DGAERO COc1ccc(/C(C)=C/C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000188050365 1203093921 /nfs/dbraw/zinc/09/39/21/1203093921.db2.gz UTCBYCRSKMIIRQ-FYWRMAATSA-N 1 0 316.445 3.041 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000191045439 1203283322 /nfs/dbraw/zinc/28/33/22/1203283322.db2.gz ADEQNJWQHYIMAH-DYVFJYSZSA-N 1 0 316.445 3.163 10 0 DGAERO COc1cccc(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)c1F ZINC000192690355 1203290509 /nfs/dbraw/zinc/29/05/09/1203290509.db2.gz OYSIQSFSTBOFLF-MRXNPFEDSA-N 1 0 306.425 3.188 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000246167649 1203714342 /nfs/dbraw/zinc/71/43/42/1203714342.db2.gz ITUKMUVOQNLFQX-HUUCEWRRSA-N 1 0 323.506 3.052 10 0 DGAERO C[C@H](Cc1ccsc1)N(C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000246167661 1203714464 /nfs/dbraw/zinc/71/44/64/1203714464.db2.gz ITUKMUVOQNLFQX-LSDHHAIUSA-N 1 0 323.506 3.052 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000248744742 1203810129 /nfs/dbraw/zinc/81/01/29/1203810129.db2.gz FDJZUHRMRBHMBH-XHBSWPGZSA-N 1 0 322.836 3.067 10 0 DGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H](C)Cc2ccsc2)C1 ZINC000175995549 1203922665 /nfs/dbraw/zinc/92/26/65/1203922665.db2.gz CNZIWJWFMHWBDM-HOCLYGCPSA-N 1 0 323.506 3.052 10 0 DGAERO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000262516439 1204323888 /nfs/dbraw/zinc/32/38/88/1204323888.db2.gz NOYLKPVCQDBZRZ-UWVGGRQHSA-N 1 0 318.314 3.092 10 0 DGAERO CC[NH+](CC)CCN[C@H](c1nccn1C)c1ccccc1Cl ZINC000180659903 1204333053 /nfs/dbraw/zinc/33/30/53/1204333053.db2.gz FCYHKPFDDYPRNF-INIZCTEOSA-N 1 0 320.868 3.094 10 0 DGAERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000182793986 1204342729 /nfs/dbraw/zinc/34/27/29/1204342729.db2.gz HCAFEYZTGSEDJK-CXLVCKKSSA-N 1 0 304.390 3.057 10 0 DGAERO C/C(=C/c1ccc(C)cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000588397441 1082137503 /nfs/dbraw/zinc/13/75/03/1082137503.db2.gz AUZHXQQMYSPTPM-SSZFMOIBSA-N 1 0 300.446 3.387 10 0 DGAERO Cc1cccnc1/C=C\C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588456336 1082332733 /nfs/dbraw/zinc/33/27/33/1082332733.db2.gz NMOMGTZYJYTACI-HJCTWCACSA-N 1 0 322.408 3.221 10 0 DGAERO COc1cccc([C@@H](CNC(=O)/C(C)=C\C(C)(C)C)[NH+](C)C)c1 ZINC000588496395 1082485128 /nfs/dbraw/zinc/48/51/28/1082485128.db2.gz SFAVTSJFMDRYPX-BHEFUSTPSA-N 1 0 318.461 3.407 10 0 DGAERO C/C(=C/C(C)(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000588497145 1082487033 /nfs/dbraw/zinc/48/70/33/1082487033.db2.gz SAZHASFOHHWEAQ-PFONDFGASA-N 1 0 315.461 3.369 10 0 DGAERO C/C(=C/C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1Cl ZINC000588561884 1082636626 /nfs/dbraw/zinc/63/66/26/1082636626.db2.gz APBMHCUFPWESTH-SEYXRHQNSA-N 1 0 304.821 3.050 10 0 DGAERO Ic1cccc(C[NH2+]C[C@@H]2C=CCC2)c1 ZINC000711677350 1085513794 /nfs/dbraw/zinc/51/37/94/1085513794.db2.gz APEDRZCLZYLZDO-LLVKDONJSA-N 1 0 313.182 3.347 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000712440117 1085720517 /nfs/dbraw/zinc/72/05/17/1085720517.db2.gz UHILAWDVDFTGLT-UVPYHEFZSA-N 1 0 308.466 3.458 10 0 DGAERO CC(C)[C@@H]1CCC[N@H+](Cc2cn(C)nc2Br)CC1 ZINC000713879337 1086640462 /nfs/dbraw/zinc/64/04/62/1086640462.db2.gz GUDZBHLMPLUTHF-GFCCVEGCSA-N 1 0 314.271 3.441 10 0 DGAERO COc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)ccc1OC(C)C ZINC000093479663 1087124865 /nfs/dbraw/zinc/12/48/65/1087124865.db2.gz HNSVRHUJYIBEKQ-MCPYQZEQSA-N 1 0 319.445 3.075 10 0 DGAERO CCCC[N@H+](C)CCNCc1ccc(Br)s1 ZINC000163980921 1091717312 /nfs/dbraw/zinc/71/73/12/1091717312.db2.gz LMVRDWMZWYMDMD-UHFFFAOYSA-N 1 0 305.285 3.332 10 0 DGAERO CCSCC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400633737 1091800576 /nfs/dbraw/zinc/80/05/76/1091800576.db2.gz HOUYOBZTCSBICS-CYBMUJFWSA-N 1 0 316.511 3.365 10 0 DGAERO CCOC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400328929 1093886064 /nfs/dbraw/zinc/88/60/64/1093886064.db2.gz BGBZDYFOSQWWDB-ZIAGYGMSSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000401666838 1093963594 /nfs/dbraw/zinc/96/35/94/1093963594.db2.gz IHGZTUJPQSKATL-SOUVJXGZSA-N 1 0 319.449 3.378 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CO1 ZINC000401962088 1093982175 /nfs/dbraw/zinc/98/21/75/1093982175.db2.gz XVSWODCBCKICAR-QLFBSQMISA-N 1 0 324.465 3.076 10 0 DGAERO c1coc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)N2CCCC2)c1 ZINC000403488846 1094131707 /nfs/dbraw/zinc/13/17/07/1094131707.db2.gz ACXXXFCTBNDXGY-UYTSQGDYSA-N 1 0 306.475 3.433 10 0 DGAERO CC1CC([NH2+]Cc2ccccc2I)C1 ZINC000307554520 1094258492 /nfs/dbraw/zinc/25/84/92/1094258492.db2.gz SFLSWAYBTVXHRM-UHFFFAOYSA-N 1 0 301.171 3.179 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000404462869 1094258984 /nfs/dbraw/zinc/25/89/84/1094258984.db2.gz SOBRPRWCWIILGT-VXGBXAGGSA-N 1 0 311.451 3.069 10 0 DGAERO COCCCCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404864951 1094271091 /nfs/dbraw/zinc/27/10/91/1094271091.db2.gz BACRJVMUMRDWGL-KGLIPLIRSA-N 1 0 314.470 3.085 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCCCF)C12CCC2 ZINC000405370317 1094347009 /nfs/dbraw/zinc/34/70/09/1094347009.db2.gz YSCIWMNMVOBLHH-CHWSQXEVSA-N 1 0 300.418 3.162 10 0 DGAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000311648899 1094964742 /nfs/dbraw/zinc/96/47/42/1094964742.db2.gz BPZDFLGKRSTQNJ-YZGWKJHDSA-N 1 0 316.489 3.446 10 0 DGAERO O=C1O[C@@H](C[NH+]2CCC(Oc3ccccc3)CC2)CC12CCC2 ZINC000191963787 1095035850 /nfs/dbraw/zinc/03/58/50/1095035850.db2.gz UHZZMTVMETWCEG-QGZVFWFLSA-N 1 0 315.413 3.016 10 0 DGAERO C[C@@H](F)CC[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720776403 1095777925 /nfs/dbraw/zinc/77/79/25/1095777925.db2.gz WBHGPDDDJDSGMT-GDBMZVCRSA-N 1 0 308.397 3.125 10 0 DGAERO CCO[C@@H]1CCC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)C1 ZINC000721193625 1096821877 /nfs/dbraw/zinc/82/18/77/1096821877.db2.gz JSIRKSKFRSVBKK-LSDHHAIUSA-N 1 0 314.470 3.181 10 0 DGAERO CC1(C)C[C@@H]([NH2+]Cc2sncc2Br)C(C)(C)O1 ZINC000722768646 1102609053 /nfs/dbraw/zinc/60/90/53/1102609053.db2.gz ICFGPIOCZRQIHR-SNVBAGLBSA-N 1 0 319.268 3.341 10 0 DGAERO c1ccc(COCCC[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000719581693 1104956071 /nfs/dbraw/zinc/95/60/71/1104956071.db2.gz FHMBJMGOESHIGX-UHFFFAOYSA-N 1 0 302.443 3.328 10 0 DGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1ccccc1F ZINC000723833229 1106363580 /nfs/dbraw/zinc/36/35/80/1106363580.db2.gz ZTCJEPXFNLNUDH-UKRRQHHQSA-N 1 0 322.424 3.418 10 0 DGAERO Cc1cn(C)nc1C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000723937819 1106466747 /nfs/dbraw/zinc/46/67/47/1106466747.db2.gz GVAMKVARPNECLV-MSOLQXFVSA-N 1 0 313.445 3.202 10 0 DGAERO Cc1ncc(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000379641875 1108034036 /nfs/dbraw/zinc/03/40/36/1108034036.db2.gz YPYKXSDZEXRPKI-AWEZNQCLSA-N 1 0 303.475 3.452 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)c1cnn(C)c1 ZINC000380980290 1108081490 /nfs/dbraw/zinc/08/14/90/1108081490.db2.gz CVLDQAZHABJHCY-SECBINFHSA-N 1 0 312.186 3.173 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183728060 282105634 /nfs/dbraw/zinc/10/56/34/282105634.db2.gz CBUDMVADCVZFDZ-WXRRBKDZSA-N 1 0 316.371 3.380 10 0 DGAERO CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000181261152 199273190 /nfs/dbraw/zinc/27/31/90/199273190.db2.gz VJCITLKGVKYFEX-JCGIZDLHSA-N 1 0 318.461 3.034 10 0 DGAERO CC[C@@H](C)Oc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000176339913 529383402 /nfs/dbraw/zinc/38/34/02/529383402.db2.gz GTAQQDLYXGXJOX-CQSZACIVSA-N 1 0 304.434 3.030 10 0 DGAERO COc1ccccc1[C@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000103074756 432003337 /nfs/dbraw/zinc/00/33/37/432003337.db2.gz QVXREUCGAWGMHR-HZPDHXFCSA-N 1 0 320.477 3.281 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000305898356 231082458 /nfs/dbraw/zinc/08/24/58/231082458.db2.gz UYNQTTSPQQZOSL-PELKAZGASA-N 1 0 320.177 3.242 10 0 DGAERO COCC1(C[NH2+]Cc2csc(Br)c2)CCC1 ZINC000309753328 231106042 /nfs/dbraw/zinc/10/60/42/231106042.db2.gz LARKEQOAWNVUSA-UHFFFAOYSA-N 1 0 304.253 3.417 10 0 DGAERO Cc1ncccc1C[N@H+]1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000328631385 231265826 /nfs/dbraw/zinc/26/58/26/231265826.db2.gz KMHYBRXZTCWUFB-HXUWFJFHSA-N 1 0 324.472 3.272 10 0 DGAERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H](C)CCc2ccco2)cn1 ZINC000328628458 231261689 /nfs/dbraw/zinc/26/16/89/231261689.db2.gz HGZVFOIISPXHEA-FHLIZLRMSA-N 1 0 317.433 3.327 10 0 DGAERO C[C@H](N[C@@H]1CCC(=O)NC12CCC2)c1nc(C(C)(C)C)no1 ZINC000328725587 231322554 /nfs/dbraw/zinc/32/25/54/231322554.db2.gz ZCSGUAJKVPMBFU-WDEREUQCSA-N 1 0 306.410 3.059 10 0 DGAERO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000088785565 185265869 /nfs/dbraw/zinc/26/58/69/185265869.db2.gz WAPXFRVAHAVHQY-GOEBONIOSA-N 1 0 319.424 3.075 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000088785562 185265898 /nfs/dbraw/zinc/26/58/98/185265898.db2.gz WAPXFRVAHAVHQY-ZBFHGGJFSA-N 1 0 319.424 3.075 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)[C@@H]2CSc3ccccc32)CC1 ZINC000129464949 432005872 /nfs/dbraw/zinc/00/58/72/432005872.db2.gz OVLUZGKHSOCZOR-ZBCRRDGASA-N 1 0 318.486 3.113 10 0 DGAERO Cc1ncc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000090419321 185295356 /nfs/dbraw/zinc/29/53/56/185295356.db2.gz BPNRMKMQKJJFMD-CMPLNLGQSA-N 1 0 322.865 3.429 10 0 DGAERO c1ncc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)s1 ZINC000092405717 185316682 /nfs/dbraw/zinc/31/66/82/185316682.db2.gz FYHULVLKKRDHPT-UHFFFAOYSA-N 1 0 313.470 3.418 10 0 DGAERO Cc1cc2cc(C[NH+]3CCC(n4cncn4)CC3)oc2cc1C ZINC000092647991 185331182 /nfs/dbraw/zinc/33/11/82/185331182.db2.gz DVTOWVHWJCXTEZ-UHFFFAOYSA-N 1 0 310.401 3.478 10 0 DGAERO CN(C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cccc(F)c1 ZINC000245936605 282249047 /nfs/dbraw/zinc/24/90/47/282249047.db2.gz UBCMGPKEKLWBGC-TVFCKZIOSA-N 1 0 320.452 3.222 10 0 DGAERO c1ccc2c(c1)C=C(CN1CCCC[C@H]([NH+]3CCCC3)C1)CO2 ZINC000092785705 185341014 /nfs/dbraw/zinc/34/10/14/185341014.db2.gz NCQHSGMVDOUFBR-IBGZPJMESA-N 1 0 312.457 3.413 10 0 DGAERO Cc1cc2cc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)ccc2[nH]1 ZINC000092759234 185338460 /nfs/dbraw/zinc/33/84/60/185338460.db2.gz CEONEVVFKAANFJ-BBRMVZONSA-N 1 0 312.417 3.177 10 0 DGAERO Cc1cccc(C2=CC[N@H+](C[C@H](O)COC(C)(C)C)CC2)c1 ZINC000092822324 185344160 /nfs/dbraw/zinc/34/41/60/185344160.db2.gz BLZWRDQWYHQWIP-SFHVURJKSA-N 1 0 303.446 3.260 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000092929710 185349477 /nfs/dbraw/zinc/34/94/77/185349477.db2.gz CCLYYAZZGZFBGP-QMTHXVAHSA-N 1 0 311.788 3.180 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000168469278 197723705 /nfs/dbraw/zinc/72/37/05/197723705.db2.gz QZYNTUVMJLRPOM-VXGBXAGGSA-N 1 0 313.438 3.459 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)OCc1ccccc1 ZINC000181486223 199305329 /nfs/dbraw/zinc/30/53/29/199305329.db2.gz GXCLUPCDOIFGPI-KRWDZBQOSA-N 1 0 313.401 3.070 10 0 DGAERO CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000189235713 529766546 /nfs/dbraw/zinc/76/65/46/529766546.db2.gz LOHMRZARBHQSID-DYVFJYSZSA-N 1 0 307.482 3.086 10 0 DGAERO CN1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)Cc2ccccc21 ZINC000435122657 529773975 /nfs/dbraw/zinc/77/39/75/529773975.db2.gz BVUZLHYFSCYBKL-UHFFFAOYSA-N 1 0 308.385 3.122 10 0 DGAERO C[N@@H+]1CCN(Cc2nc(C3CCCC3)no2)C2(CCCCC2)C1 ZINC000155093530 529775387 /nfs/dbraw/zinc/77/53/87/529775387.db2.gz PROANPKEYAJMOL-UHFFFAOYSA-N 1 0 318.465 3.178 10 0 DGAERO C[N@H+](C[C@H](O)COCc1ccccc1)C1CCC(F)(F)CC1 ZINC000286658910 219109166 /nfs/dbraw/zinc/10/91/66/219109166.db2.gz ANEJZVYIVGINTM-INIZCTEOSA-N 1 0 313.388 3.074 10 0 DGAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3cccc(Br)c3)no2)C1 ZINC000097067747 185405822 /nfs/dbraw/zinc/40/58/22/185405822.db2.gz PYEDKQHZGADAOV-GXSJLCMTSA-N 1 0 308.179 3.094 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000103479362 432010544 /nfs/dbraw/zinc/01/05/44/432010544.db2.gz OCFFFJXDIOZPOJ-CQSZACIVSA-N 1 0 317.364 3.034 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccn1 ZINC000225811438 201750165 /nfs/dbraw/zinc/75/01/65/201750165.db2.gz LQTCCJHMVBAVBN-UHFFFAOYSA-N 1 0 307.438 3.255 10 0 DGAERO CC(=O)[C@@H](C)CCCCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000279458773 214896856 /nfs/dbraw/zinc/89/68/56/214896856.db2.gz FEUYQYORHBIZSH-LBPRGKRZSA-N 1 0 312.373 3.322 10 0 DGAERO CC(C)CC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000129958004 432011537 /nfs/dbraw/zinc/01/15/37/432011537.db2.gz CTBLTYKSIKFZTE-JKSUJKDBSA-N 1 0 309.498 3.327 10 0 DGAERO C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C[C@H]1CCCOC1 ZINC000107689741 185488271 /nfs/dbraw/zinc/48/82/71/185488271.db2.gz JWTYYUJWXHYOIZ-CYBMUJFWSA-N 1 0 304.365 3.339 10 0 DGAERO CC(C)c1nnc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)n1C ZINC000181796956 199353872 /nfs/dbraw/zinc/35/38/72/199353872.db2.gz BTCVREXDUCRFGR-AWEZNQCLSA-N 1 0 300.450 3.394 10 0 DGAERO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000130014991 432013055 /nfs/dbraw/zinc/01/30/55/432013055.db2.gz DZDKCGYQGUYVRI-OAHLLOKOSA-N 1 0 319.449 3.127 10 0 DGAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000119194626 185705513 /nfs/dbraw/zinc/70/55/13/185705513.db2.gz UXFDHGVCLDNVFZ-CVEARBPZSA-N 1 0 320.477 3.077 10 0 DGAERO Cc1sc2nc(C)nc(N3CCC([C@@H](C)[NH3+])CC3)c2c1C ZINC000261662865 282482166 /nfs/dbraw/zinc/48/21/66/282482166.db2.gz KRQNQQXTVRRPMG-SNVBAGLBSA-N 1 0 304.463 3.180 10 0 DGAERO C[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000123684125 185833417 /nfs/dbraw/zinc/83/34/17/185833417.db2.gz FXFPYZOUSXSCRQ-WMZOPIPTSA-N 1 0 300.446 3.267 10 0 DGAERO CC[N@H+](Cc1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)cc1)C(C)C ZINC000130299415 432020762 /nfs/dbraw/zinc/02/07/62/432020762.db2.gz NNYNUOCYRLZXQR-HOTGVXAUSA-N 1 0 318.461 3.166 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(Br)cn1 ZINC000279857586 215185671 /nfs/dbraw/zinc/18/56/71/215185671.db2.gz SGTQDSJWRAKULQ-GXSJLCMTSA-N 1 0 301.253 3.390 10 0 DGAERO CSC[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000066767531 432021222 /nfs/dbraw/zinc/02/12/22/432021222.db2.gz DAORRMUCAGMEQV-WBVHZDCISA-N 1 0 320.502 3.156 10 0 DGAERO Cc1nc(-c2ccc(F)cc2)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000070456344 190896280 /nfs/dbraw/zinc/89/62/80/190896280.db2.gz TYHVDBNBWFLTHH-AWEZNQCLSA-N 1 0 314.408 3.311 10 0 DGAERO CN1C[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCC1=O ZINC000084062547 192399738 /nfs/dbraw/zinc/39/97/38/192399738.db2.gz JSTFHLMYMDGKAS-WCQYABFASA-N 1 0 310.850 3.087 10 0 DGAERO Fc1cccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1F ZINC000152481877 186078014 /nfs/dbraw/zinc/07/80/14/186078014.db2.gz OQNIVAICKWMTRJ-ZDUSSCGKSA-N 1 0 318.371 3.271 10 0 DGAERO O=C(Nc1ccc2cc[nH]c2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000194281839 186276092 /nfs/dbraw/zinc/27/60/92/186276092.db2.gz AQSGICNUHXPZPA-UHFFFAOYSA-N 1 0 312.417 3.260 10 0 DGAERO O=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171541154 197938596 /nfs/dbraw/zinc/93/85/96/197938596.db2.gz COGXXTQYROUKFS-MRXNPFEDSA-N 1 0 312.417 3.260 10 0 DGAERO CN(c1cccnn1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000171553022 197940415 /nfs/dbraw/zinc/94/04/15/197940415.db2.gz YWXGZSFYOIFDMA-UHFFFAOYSA-N 1 0 316.836 3.231 10 0 DGAERO CCCOc1cccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000130486906 432026131 /nfs/dbraw/zinc/02/61/31/432026131.db2.gz ZEKCRYSNONLRBX-UHFFFAOYSA-N 1 0 318.461 3.326 10 0 DGAERO C[C@@H]([NH2+]CCCCC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000130499226 432026723 /nfs/dbraw/zinc/02/67/23/432026723.db2.gz PXWYNIRZSUMEIF-LLVKDONJSA-N 1 0 323.380 3.473 10 0 DGAERO CC(C)c1nc([C@H]2CCCN2C[C@@H](O)c2ccccc2)no1 ZINC000107047025 432026807 /nfs/dbraw/zinc/02/68/07/432026807.db2.gz YIRPKCRVGNMRCV-HUUCEWRRSA-N 1 0 301.390 3.064 10 0 DGAERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(Cl)cc1F ZINC000130506647 432026827 /nfs/dbraw/zinc/02/68/27/432026827.db2.gz LWIYKHFPGMQGKO-RYUDHWBXSA-N 1 0 310.800 3.096 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)CC2 ZINC000171981155 198019806 /nfs/dbraw/zinc/01/98/06/198019806.db2.gz MOSTXPKVPBVFPF-AAEUAGOBSA-N 1 0 320.387 3.345 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000172605703 198122498 /nfs/dbraw/zinc/12/24/98/198122498.db2.gz QPBZVEZYANIHJO-AYBZRNKSSA-N 1 0 314.473 3.295 10 0 DGAERO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000172603783 198122779 /nfs/dbraw/zinc/12/27/79/198122779.db2.gz ZJUOYXMFNSUFFO-OLZOCXBDSA-N 1 0 318.442 3.112 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3ccccc3)[nH]2)CC[N@@H+]1C ZINC000172618701 198125411 /nfs/dbraw/zinc/12/54/11/198125411.db2.gz UPNUPUPXOSVCJF-HOCLYGCPSA-N 1 0 311.429 3.236 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3ccccc3)[nH]2)CC[N@@H+]1C ZINC000172618693 198125899 /nfs/dbraw/zinc/12/58/99/198125899.db2.gz UPNUPUPXOSVCJF-GOEBONIOSA-N 1 0 311.429 3.236 10 0 DGAERO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000107132576 432027835 /nfs/dbraw/zinc/02/78/35/432027835.db2.gz KXMPZFSDXMTBMX-IXDOHACOSA-N 1 0 318.848 3.140 10 0 DGAERO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCOCC(F)(F)F ZINC000067228601 432029021 /nfs/dbraw/zinc/02/90/21/432029021.db2.gz NWBKRIZDYOHWFZ-HIFRSBDPSA-N 1 0 317.351 3.417 10 0 DGAERO CCOc1ccc(C(C)=O)cc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000172848037 198157769 /nfs/dbraw/zinc/15/77/69/198157769.db2.gz IDRLHGRRYKCAII-KDOFPFPSSA-N 1 0 318.461 3.202 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(F)c(F)cc2F)CC[N@@H+]1C ZINC000173089306 198184084 /nfs/dbraw/zinc/18/40/84/198184084.db2.gz SWWLKCGQPAIGQQ-VHSXEESVSA-N 1 0 315.339 3.050 10 0 DGAERO C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(Cl)cc1 ZINC000173391788 198209941 /nfs/dbraw/zinc/20/99/41/198209941.db2.gz OIGMWRTXWDTVSA-BBRMVZONSA-N 1 0 319.836 3.057 10 0 DGAERO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)COCc2ccco2)o1 ZINC000130939246 432031110 /nfs/dbraw/zinc/03/11/10/432031110.db2.gz ONGAVZLISFELDS-DOTOQJQBSA-N 1 0 319.401 3.286 10 0 DGAERO Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(C)C ZINC000173730198 198245911 /nfs/dbraw/zinc/24/59/11/198245911.db2.gz RTWMSZXQDLVAIQ-INIZCTEOSA-N 1 0 317.433 3.094 10 0 DGAERO CCCn1ccc2ccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)cc21 ZINC000173904342 198267048 /nfs/dbraw/zinc/26/70/48/198267048.db2.gz SMTJCWQKQOILME-INIZCTEOSA-N 1 0 314.433 3.219 10 0 DGAERO CCc1nnc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1C ZINC000173923551 198269482 /nfs/dbraw/zinc/26/94/82/198269482.db2.gz HURLSTIDTMVZQG-IUODEOHRSA-N 1 0 302.397 3.100 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3ccn(C)c3c2)CC[N@@H+]1C ZINC000173813235 198255925 /nfs/dbraw/zinc/25/59/25/198255925.db2.gz PENJWXMHDNWPQO-CZUORRHYSA-N 1 0 314.433 3.125 10 0 DGAERO COc1ccc2cc([C@H](C)[NH2+][C@H]3CCc4ncnn4C3)ccc2c1 ZINC000174084798 198288896 /nfs/dbraw/zinc/28/88/96/198288896.db2.gz VPDDBABNILXFDW-GUYCJALGSA-N 1 0 322.412 3.106 10 0 DGAERO COCC[C@](C)(O)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182083783 199383907 /nfs/dbraw/zinc/38/39/07/199383907.db2.gz YUCCJJMXABWFMX-CVEARBPZSA-N 1 0 301.377 3.039 10 0 DGAERO COCC[C@](C)(O)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182083766 199384009 /nfs/dbraw/zinc/38/40/09/199384009.db2.gz YUCCJJMXABWFMX-HOTGVXAUSA-N 1 0 301.377 3.039 10 0 DGAERO O=C(c1ccccc1Cl)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107524779 432032949 /nfs/dbraw/zinc/03/29/49/432032949.db2.gz DSVAJXKUHAHDAL-AWEZNQCLSA-N 1 0 306.837 3.431 10 0 DGAERO CCOc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107526052 432033135 /nfs/dbraw/zinc/03/31/35/432033135.db2.gz GCZDMZYGYTWTAS-QGZVFWFLSA-N 1 0 316.445 3.176 10 0 DGAERO Cc1cc(C)cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000174392429 198328326 /nfs/dbraw/zinc/32/83/26/198328326.db2.gz VEVDDMOEVZONMP-ALOPSCKCSA-N 1 0 301.434 3.440 10 0 DGAERO CSc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174426706 198334036 /nfs/dbraw/zinc/33/40/36/198334036.db2.gz BQBNECMYXVTKIN-STQMWFEESA-N 1 0 307.463 3.355 10 0 DGAERO C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1c1cccc(F)c1 ZINC000174444666 198335274 /nfs/dbraw/zinc/33/52/74/198335274.db2.gz NULWZFVDWUJIHE-GUYCJALGSA-N 1 0 304.409 3.077 10 0 DGAERO O=C(c1csc(C2CC2)n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107530900 432033665 /nfs/dbraw/zinc/03/36/65/432033665.db2.gz SYIWKSSYTHNYPR-AWEZNQCLSA-N 1 0 319.474 3.111 10 0 DGAERO CCOc1cc(Cl)ccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182146833 199393474 /nfs/dbraw/zinc/39/34/74/199393474.db2.gz ADAQPIJZNQQLNP-OCCSQVGLSA-N 1 0 324.852 3.293 10 0 DGAERO CCn1cc(C2CC[NH+](C[C@H](O)c3ccc(C)cc3)CC2)cn1 ZINC000174765324 198381880 /nfs/dbraw/zinc/38/18/80/198381880.db2.gz BHJLHUZOTIPSGL-IBGZPJMESA-N 1 0 313.445 3.124 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)c1ccccc1 ZINC000174787982 198385771 /nfs/dbraw/zinc/38/57/71/198385771.db2.gz UTRLYVQWTJWJKN-DJIMGWMZSA-N 1 0 301.434 3.016 10 0 DGAERO CC[N@H+](C)[C@H](C(=O)NCc1ccc(Cl)cn1)c1ccccc1 ZINC000182168029 199397002 /nfs/dbraw/zinc/39/70/02/199397002.db2.gz PYRILMGXWDQKSG-INIZCTEOSA-N 1 0 317.820 3.044 10 0 DGAERO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1cccs1 ZINC000182176115 199398789 /nfs/dbraw/zinc/39/87/89/199398789.db2.gz OZVZFPOXHLVADU-CYBMUJFWSA-N 1 0 318.442 3.066 10 0 DGAERO C[C@@H](CCO)[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178496110 295868576 /nfs/dbraw/zinc/86/85/76/295868576.db2.gz AZVGMVDEHFABMW-GWCFXTLKSA-N 1 0 314.223 3.023 10 0 DGAERO C[C@@H](CCn1cccn1)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000158707204 295873698 /nfs/dbraw/zinc/87/36/98/295873698.db2.gz WKLXFLVEZFWCCX-QFBILLFUSA-N 1 0 306.413 3.436 10 0 DGAERO O=c1[nH]cc(-c2ccc(C[NH+]3CCCC3)cc2)c2c(O)cccc12 ZINC000003819856 181047230 /nfs/dbraw/zinc/04/72/30/181047230.db2.gz NWOXWFPOLMGLID-UHFFFAOYSA-N 1 0 320.392 3.497 10 0 DGAERO O=C1CCCCN1CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000003814250 181046757 /nfs/dbraw/zinc/04/67/57/181046757.db2.gz DOBQPNDSZWMKBV-UHFFFAOYSA-N 1 0 300.446 3.301 10 0 DGAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000107693118 432037052 /nfs/dbraw/zinc/03/70/52/432037052.db2.gz UESGPDICIWQIAR-HNNXBMFYSA-N 1 0 318.461 3.108 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c(OC)c1 ZINC000176390950 198580185 /nfs/dbraw/zinc/58/01/85/198580185.db2.gz QNTRFOZDMVZOOM-OAHLLOKOSA-N 1 0 305.418 3.285 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000236770392 202000528 /nfs/dbraw/zinc/00/05/28/202000528.db2.gz SGIAAABMIHVJCI-INIZCTEOSA-N 1 0 302.462 3.417 10 0 DGAERO COc1ccc(-c2cnc(C[N@H+](C)C[C@H]3CCCOC3)o2)cc1 ZINC000107691991 432037785 /nfs/dbraw/zinc/03/77/85/432037785.db2.gz RODBSEOKIMBCII-CQSZACIVSA-N 1 0 316.401 3.209 10 0 DGAERO CC(C)CCOc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000236774290 202003602 /nfs/dbraw/zinc/00/36/02/202003602.db2.gz IYQISHNLHHIYGF-RDJZCZTQSA-N 1 0 318.461 3.245 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000236781914 202006516 /nfs/dbraw/zinc/00/65/16/202006516.db2.gz KFNFVVXRTHWKFB-CJNGLKHVSA-N 1 0 304.434 3.140 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCC(C)CC2)cc1F ZINC000067766475 432039948 /nfs/dbraw/zinc/03/99/48/432039948.db2.gz ZYIJHQKRDGCXJM-ZIAGYGMSSA-N 1 0 322.424 3.132 10 0 DGAERO COC[C@@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000131904924 432041468 /nfs/dbraw/zinc/04/14/68/432041468.db2.gz FCXGAJKISFLLRW-LBPRGKRZSA-N 1 0 313.463 3.140 10 0 DGAERO CCc1nc(-c2ccccc2F)nc(NC2CC[NH2+]CC2)c1C ZINC000073662912 191338902 /nfs/dbraw/zinc/33/89/02/191338902.db2.gz XQCMDHKWQXNNMZ-UHFFFAOYSA-N 1 0 314.408 3.317 10 0 DGAERO Clc1nc2c(-c3ccccc3)c[nH]c2c(N[C@@H]2CC[NH2+]C2)n1 ZINC000073735876 191349460 /nfs/dbraw/zinc/34/94/60/191349460.db2.gz UPPZMAUKUVEIOR-LLVKDONJSA-N 1 0 313.792 3.052 10 0 DGAERO [NH3+]CC1CCN(c2nc(Cl)nc3c4ccccc4oc32)CC1 ZINC000073736293 191349630 /nfs/dbraw/zinc/34/96/30/191349630.db2.gz WHDKRNSTBKRTQQ-UHFFFAOYSA-N 1 0 316.792 3.205 10 0 DGAERO [NH3+]CC1CCN(c2nc(Cl)nc3ccc(Cl)cc32)CC1 ZINC000073735558 191349821 /nfs/dbraw/zinc/34/98/21/191349821.db2.gz ACOVXIJBNAQSDD-UHFFFAOYSA-N 1 0 311.216 3.112 10 0 DGAERO CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000074791803 191362053 /nfs/dbraw/zinc/36/20/53/191362053.db2.gz LXGIPBKDIOJAGI-ZXFUBFMLSA-N 1 0 307.482 3.366 10 0 DGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1nc(C)sc1C ZINC000179169217 432047679 /nfs/dbraw/zinc/04/76/79/432047679.db2.gz DQPWWWRZHBAVKV-UHFFFAOYSA-N 1 0 311.495 3.200 10 0 DGAERO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccco2)oc1CC ZINC000132386718 432048066 /nfs/dbraw/zinc/04/80/66/432048066.db2.gz WWOMWAMPATVGAE-UHFFFAOYSA-N 1 0 318.417 3.201 10 0 DGAERO CN(C(=O)CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000179185298 432048652 /nfs/dbraw/zinc/04/86/52/432048652.db2.gz QVWYIVWFNMTIGP-CYBMUJFWSA-N 1 0 314.351 3.314 10 0 DGAERO Cc1nc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(C)s1 ZINC000179201275 432049886 /nfs/dbraw/zinc/04/98/86/432049886.db2.gz HPPBMBIPYXCJPA-ZBEGNZNMSA-N 1 0 309.479 3.000 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ncc(Br)s2)C1 ZINC000179210187 432050660 /nfs/dbraw/zinc/05/06/60/432050660.db2.gz LJLSSZXYDSHESB-VHSXEESVSA-N 1 0 318.284 3.041 10 0 DGAERO COCc1cccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000179215910 432050578 /nfs/dbraw/zinc/05/05/78/432050578.db2.gz UBQIFMVASIVHJR-IBGZPJMESA-N 1 0 302.462 3.283 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)NCCC2=CCCC2)[C@@H]1c1ccccc1 ZINC000179210842 432050982 /nfs/dbraw/zinc/05/09/82/432050982.db2.gz BTJARHKAJUXZIA-MSOLQXFVSA-N 1 0 313.445 3.231 10 0 DGAERO C[C@@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc(F)cc1F ZINC000179278265 432052493 /nfs/dbraw/zinc/05/24/93/432052493.db2.gz UMLGOZKJJUSITA-ZDUSSCGKSA-N 1 0 322.399 3.155 10 0 DGAERO C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC000080716392 192184049 /nfs/dbraw/zinc/18/40/49/192184049.db2.gz UEHYVVVFTWERMP-WZYMTQMTSA-N 1 0 318.436 3.451 10 0 DGAERO CCc1noc(C)c1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179424316 432057256 /nfs/dbraw/zinc/05/72/56/432057256.db2.gz IEIOLRYSJYWEIH-UHFFFAOYSA-N 1 0 320.437 3.028 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1C ZINC000165751387 432057266 /nfs/dbraw/zinc/05/72/66/432057266.db2.gz AHPQRWIAPFIFCP-HUUCEWRRSA-N 1 0 306.837 3.347 10 0 DGAERO CCOC(=O)CCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000081544933 192288136 /nfs/dbraw/zinc/28/81/36/192288136.db2.gz XGJWQBZUQUBHLO-NSHDSACASA-N 1 0 314.223 3.443 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)C2)n1 ZINC000236875133 202046834 /nfs/dbraw/zinc/04/68/34/202046834.db2.gz YWCZFFMHHHKUFV-BFHYXJOUSA-N 1 0 321.490 3.100 10 0 DGAERO COc1cccc([C@H](C)[NH+]2CCC(c3nc(C)no3)CC2)c1 ZINC000081667236 192309667 /nfs/dbraw/zinc/30/96/67/192309667.db2.gz ACFKESGLAGGVEB-LBPRGKRZSA-N 1 0 301.390 3.327 10 0 DGAERO Clc1ccc(/C=C/C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000179489448 432060476 /nfs/dbraw/zinc/06/04/76/432060476.db2.gz CJPCOYGNUGJBKL-BCMPFUBYSA-N 1 0 316.836 3.357 10 0 DGAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000236919599 202072781 /nfs/dbraw/zinc/07/27/81/202072781.db2.gz WGKLJMNRNMKCDA-GYSYKLTISA-N 1 0 316.367 3.441 10 0 DGAERO CCCN(CC1CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179483435 432060447 /nfs/dbraw/zinc/06/04/47/432060447.db2.gz MNLUVXILNSVIRV-QZTJIDSGSA-N 1 0 315.461 3.263 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC23CCC3)C1 ZINC000435617136 291113614 /nfs/dbraw/zinc/11/36/14/291113614.db2.gz MQVAKWOBKDLQAR-GJZGRUSLSA-N 1 0 307.482 3.081 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)s1 ZINC000166452954 432060514 /nfs/dbraw/zinc/06/05/14/432060514.db2.gz HAHOPADSGVHTFK-UONOGXRCSA-N 1 0 304.463 3.110 10 0 DGAERO C[NH2+]C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000237067520 202141104 /nfs/dbraw/zinc/14/11/04/202141104.db2.gz DSPIASJYYGTWQW-UHFFFAOYSA-N 1 0 315.244 3.136 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc2ccccc2o1 ZINC000166634849 432061619 /nfs/dbraw/zinc/06/16/19/432061619.db2.gz VWXIXPWEHVMSPH-GOEBONIOSA-N 1 0 324.428 3.486 10 0 DGAERO CCc1ccc(C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000237150103 202167086 /nfs/dbraw/zinc/16/70/86/202167086.db2.gz IVMISDAGNBEMCP-NVXWUHKLSA-N 1 0 302.462 3.160 10 0 DGAERO C[C@@H]1CCC[C@@H](C[N@H+](C)C2CCN(CCn3cccn3)CC2)C1 ZINC000133391278 432063270 /nfs/dbraw/zinc/06/32/70/432063270.db2.gz BROHPXFTOSNTND-QZTJIDSGSA-N 1 0 318.509 3.106 10 0 DGAERO CCC[C@@H](C)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000179612201 432064444 /nfs/dbraw/zinc/06/44/44/432064444.db2.gz BQLVVWAAAJUGTH-MRXNPFEDSA-N 1 0 302.462 3.451 10 0 DGAERO CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179625265 432064738 /nfs/dbraw/zinc/06/47/38/432064738.db2.gz XEGZNKHWHYMTCA-NSHDSACASA-N 1 0 303.372 3.319 10 0 DGAERO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC[C@@H]1c1nccs1 ZINC000167104635 432064170 /nfs/dbraw/zinc/06/41/70/432064170.db2.gz OWSBGCIJYISNBH-JALIKCBVSA-N 1 0 319.474 3.117 10 0 DGAERO CCn1cc([C@H](C)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)cn1 ZINC000167489405 432066055 /nfs/dbraw/zinc/06/60/55/432066055.db2.gz VBYASWFSXXDRBI-GXTWGEPZSA-N 1 0 320.387 3.111 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000087133751 192625564 /nfs/dbraw/zinc/62/55/64/192625564.db2.gz KQYDTRSGQFTAGH-ZIAGYGMSSA-N 1 0 309.429 3.225 10 0 DGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000133803937 432070854 /nfs/dbraw/zinc/07/08/54/432070854.db2.gz QRPTZJDTFISITB-JKSUJKDBSA-N 1 0 319.449 3.104 10 0 DGAERO COCCC[C@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179455022 199038211 /nfs/dbraw/zinc/03/82/11/199038211.db2.gz CEIRAVYFMBQGTC-ZDUSSCGKSA-N 1 0 306.381 3.428 10 0 DGAERO CC(C)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000179805547 199082229 /nfs/dbraw/zinc/08/22/29/199082229.db2.gz AKVKRMRCGLQGML-XQQFMLRXSA-N 1 0 318.425 3.110 10 0 DGAERO CC(C)C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000179805535 199082420 /nfs/dbraw/zinc/08/24/20/199082420.db2.gz AKVKRMRCGLQGML-UPJWGTAASA-N 1 0 318.425 3.110 10 0 DGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000179962116 199099958 /nfs/dbraw/zinc/09/99/58/199099958.db2.gz SSJRGZHEJKDRAH-MRXNPFEDSA-N 1 0 315.413 3.126 10 0 DGAERO c1cc(NCC2CCN(c3cc[nH+]cc3)CC2)nc(C2CC2)n1 ZINC000180042201 199111045 /nfs/dbraw/zinc/11/10/45/199111045.db2.gz STSBNOISRRHDFW-UHFFFAOYSA-N 1 0 309.417 3.078 10 0 DGAERO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000170643093 432075248 /nfs/dbraw/zinc/07/52/48/432075248.db2.gz OXOWHLLRAULIFH-CYBMUJFWSA-N 1 0 300.324 3.419 10 0 DGAERO Cc1ccc([C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000180585173 199179911 /nfs/dbraw/zinc/17/99/11/199179911.db2.gz RKOJLDJDPAXFOR-UYAOXDASSA-N 1 0 308.425 3.295 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1Cl ZINC000180599612 199182050 /nfs/dbraw/zinc/18/20/50/199182050.db2.gz UEFNCLSFSLEYEH-NXEZZACHSA-N 1 0 311.216 3.251 10 0 DGAERO Cc1cc2cc([C@@H](C)[NH2+][C@@H]3CCc4ncnn4C3)oc2cc1C ZINC000180598068 199182184 /nfs/dbraw/zinc/18/21/84/199182184.db2.gz VIUBQZHRCCCQTE-UKRRQHHQSA-N 1 0 310.401 3.307 10 0 DGAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(Cl)c1Cl ZINC000180599629 199182243 /nfs/dbraw/zinc/18/22/43/199182243.db2.gz UEFNCLSFSLEYEH-UWVGGRQHSA-N 1 0 311.216 3.251 10 0 DGAERO Cc1ccc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCCC2)nc1 ZINC000134306482 432075947 /nfs/dbraw/zinc/07/59/47/432075947.db2.gz JJCHNNWHWYWUQV-UHFFFAOYSA-N 1 0 319.449 3.317 10 0 DGAERO CC(C)[C@@H](CO)[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000180617760 199186322 /nfs/dbraw/zinc/18/63/22/199186322.db2.gz VWUKUGDIYZVUKQ-CQSZACIVSA-N 1 0 323.234 3.104 10 0 DGAERO CCCc1csc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000180664439 199193759 /nfs/dbraw/zinc/19/37/59/199193759.db2.gz FFVAKEHJEJZBOL-YPMHNXCESA-N 1 0 310.467 3.042 10 0 DGAERO CCCc1cnc(NC(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000180790707 199209943 /nfs/dbraw/zinc/20/99/43/199209943.db2.gz VXVKPIOKSJONSR-UHFFFAOYSA-N 1 0 324.494 3.338 10 0 DGAERO COC[C@H](O)CC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000181038453 199243879 /nfs/dbraw/zinc/24/38/79/199243879.db2.gz HRHJPSLSPBTBNR-QUCCMNQESA-N 1 0 313.441 3.380 10 0 DGAERO COc1cccc([C@H]([NH2+]C[C@H](C)O)c2ccccc2Cl)c1 ZINC000181047533 199244947 /nfs/dbraw/zinc/24/49/47/199244947.db2.gz MVVBUEXYHFJCNN-SJCJKPOMSA-N 1 0 305.805 3.408 10 0 DGAERO CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(OC)cc1 ZINC000181180320 199261242 /nfs/dbraw/zinc/26/12/42/199261242.db2.gz RMRJDIAULWYFBB-WMZOPIPTSA-N 1 0 318.461 3.132 10 0 DGAERO Cc1ccc(N2CCC[N@H+](CC(C)(C)c3ccccc3)CC2)nn1 ZINC000180078366 432078468 /nfs/dbraw/zinc/07/84/68/432078468.db2.gz PKNJORHNWIXYCQ-UHFFFAOYSA-N 1 0 324.472 3.275 10 0 DGAERO CCCOc1ccc2c(c1)CC[N@@H+](C[C@H](O)COC(C)(C)C)C2 ZINC000134525922 432079230 /nfs/dbraw/zinc/07/92/30/432079230.db2.gz RMGTVJSLZLJZJG-KRWDZBQOSA-N 1 0 321.461 3.010 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2C)C12CCOCC2 ZINC000185657488 199874339 /nfs/dbraw/zinc/87/43/39/199874339.db2.gz MXBDWQDFWNATPJ-ROUUACIJSA-N 1 0 303.446 3.367 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn(C)nc1-c1cccs1 ZINC000180162057 432080080 /nfs/dbraw/zinc/08/00/80/432080080.db2.gz FWHNDDNVCYWVFM-HNNXBMFYSA-N 1 0 318.490 3.065 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2F)[C@@H]1c1ccccc1 ZINC000180171240 432080092 /nfs/dbraw/zinc/08/00/92/432080092.db2.gz BPMZBOGYWTWFOH-IRXDYDNUSA-N 1 0 316.351 3.140 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cn(C)nc1-c1cccs1 ZINC000180162043 432080193 /nfs/dbraw/zinc/08/01/93/432080193.db2.gz FWHNDDNVCYWVFM-OAHLLOKOSA-N 1 0 318.490 3.065 10 0 DGAERO C[C@H](NC(=O)NC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180299536 432083522 /nfs/dbraw/zinc/08/35/22/432083522.db2.gz PFFNEYBOERYBRJ-LSDHHAIUSA-N 1 0 307.482 3.271 10 0 DGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000186742992 200002394 /nfs/dbraw/zinc/00/23/94/200002394.db2.gz GLSSBGHCAJNKBY-FZMZJTMJSA-N 1 0 318.417 3.282 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000186743023 200002690 /nfs/dbraw/zinc/00/26/90/200002690.db2.gz GLSSBGHCAJNKBY-SMDDNHRTSA-N 1 0 318.417 3.282 10 0 DGAERO CSc1cc(C)ccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237429506 202264182 /nfs/dbraw/zinc/26/41/82/202264182.db2.gz OIWSRENKIARTTO-KBMXLJTQSA-N 1 0 318.486 3.254 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[NH+]2CCC(C)(CO)CC2)cc1 ZINC000186925911 200032069 /nfs/dbraw/zinc/03/20/69/200032069.db2.gz BGEIOYYZBAMSKY-UHFFFAOYSA-N 1 0 322.474 3.055 10 0 DGAERO c1ccc(CCCC[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000186964545 200040080 /nfs/dbraw/zinc/04/00/80/200040080.db2.gz SIDWASCNINUSQV-UHFFFAOYSA-N 1 0 310.445 3.376 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187106422 200062852 /nfs/dbraw/zinc/06/28/52/200062852.db2.gz GJRKJBKZSRFPIE-HNNXBMFYSA-N 1 0 324.494 3.030 10 0 DGAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000170867658 432084593 /nfs/dbraw/zinc/08/45/93/432084593.db2.gz IEJHDDQOZFSVHD-CYBMUJFWSA-N 1 0 315.244 3.089 10 0 DGAERO COCCN1CC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@H]1C ZINC000187210576 200078245 /nfs/dbraw/zinc/07/82/45/200078245.db2.gz XZAJSDOYDFBTIC-MISYRCLQSA-N 1 0 316.489 3.149 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](CCCCCOc3ccccc3)C2)cn1 ZINC000187332396 200096451 /nfs/dbraw/zinc/09/64/51/200096451.db2.gz LGYIGPMUSIECJR-QGZVFWFLSA-N 1 0 313.445 3.459 10 0 DGAERO Cc1ccc2c(C[N@H+](C)C[C@@H]3CCCO3)cc(=O)oc2c1C ZINC000187803885 200158944 /nfs/dbraw/zinc/15/89/44/200158944.db2.gz KENXVQFYYHVEGW-HNNXBMFYSA-N 1 0 301.386 3.021 10 0 DGAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000187687857 200144790 /nfs/dbraw/zinc/14/47/90/200144790.db2.gz HJAVTUHYSDYUMY-SWLSCSKDSA-N 1 0 302.422 3.380 10 0 DGAERO Cc1nc2cc(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)ccc2o1 ZINC000237570290 202288207 /nfs/dbraw/zinc/28/82/07/202288207.db2.gz PFJLOKGMAULNCO-DGCLKSJQSA-N 1 0 301.390 3.101 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000237570990 202288612 /nfs/dbraw/zinc/28/86/12/202288612.db2.gz QUKSOFMRRKTCFV-SMDDNHRTSA-N 1 0 321.490 3.451 10 0 DGAERO CSC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000188232318 200212666 /nfs/dbraw/zinc/21/26/66/200212666.db2.gz JRPWFYARFDCWFL-DYVFJYSZSA-N 1 0 302.443 3.123 10 0 DGAERO COc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1F ZINC000188148732 200200928 /nfs/dbraw/zinc/20/09/28/200200928.db2.gz SRRXVZRIRHNJFM-GJZGRUSLSA-N 1 0 321.417 3.104 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1 ZINC000188203701 200209175 /nfs/dbraw/zinc/20/91/75/200209175.db2.gz BZTJOJYRIMWIII-IRXDYDNUSA-N 1 0 314.408 3.325 10 0 DGAERO CO[C@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@@H]1C ZINC000188295815 200223408 /nfs/dbraw/zinc/22/34/08/200223408.db2.gz VNAQGKCQLOTVFH-YOEHRIQHSA-N 1 0 313.401 3.126 10 0 DGAERO Cc1ccc(CCC2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000237703781 202333337 /nfs/dbraw/zinc/33/33/37/202333337.db2.gz BVKUMGAINCLDKT-RTBURBONSA-N 1 0 314.473 3.294 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)CC2 ZINC000188342648 200230573 /nfs/dbraw/zinc/23/05/73/200230573.db2.gz CQIDVHUHOPNJLU-ZFWWWQNUSA-N 1 0 316.424 3.076 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2)C1 ZINC000237986548 202413214 /nfs/dbraw/zinc/41/32/14/202413214.db2.gz LFRGMCXYKVELMU-ZIAGYGMSSA-N 1 0 320.396 3.091 10 0 DGAERO CCCCOc1cc(C[N@H+](C)CC2(CO)CC2)ccc1OC ZINC000188948026 200326192 /nfs/dbraw/zinc/32/61/92/200326192.db2.gz WLAYRJYHPKFNFE-UHFFFAOYSA-N 1 0 307.434 3.078 10 0 DGAERO CCc1ccccc1C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000188953365 200327581 /nfs/dbraw/zinc/32/75/81/200327581.db2.gz TYOGSLMNVRGSHZ-UHFFFAOYSA-N 1 0 310.445 3.060 10 0 DGAERO C[C@H](CCC1CC1)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189048918 200341558 /nfs/dbraw/zinc/34/15/58/200341558.db2.gz REYJZDPRFTYQMS-DYVFJYSZSA-N 1 0 304.409 3.095 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccs1 ZINC000189058747 200342123 /nfs/dbraw/zinc/34/21/23/200342123.db2.gz OAMSFTGBPCSHHQ-DOMZBBRYSA-N 1 0 318.417 3.339 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)CSC(C)(C)C)CC2 ZINC000180503367 432088193 /nfs/dbraw/zinc/08/81/93/432088193.db2.gz HFMTVSNUYSIPHR-OLZOCXBDSA-N 1 0 310.511 3.226 10 0 DGAERO Fc1cc(F)cc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000189249816 200369863 /nfs/dbraw/zinc/36/98/63/200369863.db2.gz JUPYZERTCMCCAB-ZDUSSCGKSA-N 1 0 318.371 3.271 10 0 DGAERO c1c2c(cc3c1OCCC[C@@H]3NC[C@@H]1CCC[NH2+]1)CCCC2 ZINC000423241729 237834807 /nfs/dbraw/zinc/83/48/07/237834807.db2.gz VIHLFTRSZUPPER-WMZOPIPTSA-N 1 0 300.446 3.121 10 0 DGAERO COc1c(C)cnc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1C ZINC000189164288 200358577 /nfs/dbraw/zinc/35/85/77/200358577.db2.gz FJSCHVPQLDPFGO-QGZVFWFLSA-N 1 0 304.434 3.098 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)CC2 ZINC000180503337 432088095 /nfs/dbraw/zinc/08/80/95/432088095.db2.gz HFMTVSNUYSIPHR-STQMWFEESA-N 1 0 310.511 3.226 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)CC[C@H]1C ZINC000189344425 200384726 /nfs/dbraw/zinc/38/47/26/200384726.db2.gz KRUNXTOQVYPQHN-CXAGYDPISA-N 1 0 315.413 3.267 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287823244 219747829 /nfs/dbraw/zinc/74/78/29/219747829.db2.gz VIHTXLXKEBBKRV-SNPRPXQTSA-N 1 0 317.351 3.291 10 0 DGAERO CCOCCN1CC[N@@H+]([C@@H](C)CCc2ccccc2)C[C@H]1CC ZINC000170940839 432088538 /nfs/dbraw/zinc/08/85/38/432088538.db2.gz TYLGNSPLRHUPDU-AZUAARDMSA-N 1 0 318.505 3.440 10 0 DGAERO CSc1ccccc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000170973835 432089871 /nfs/dbraw/zinc/08/98/71/432089871.db2.gz FAPXIIKHBCXLKC-HNNXBMFYSA-N 1 0 318.486 3.499 10 0 DGAERO c1ccc(CSCC[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000430737090 238085513 /nfs/dbraw/zinc/08/55/13/238085513.db2.gz AJACAIBWTUHFMD-INIZCTEOSA-N 1 0 315.438 3.349 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000246079382 432092272 /nfs/dbraw/zinc/09/22/72/432092272.db2.gz TUWGGJPYCZRCSS-DOTOQJQBSA-N 1 0 303.450 3.497 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1ccc(CC)cc1)CC2 ZINC000180619714 432092909 /nfs/dbraw/zinc/09/29/09/432092909.db2.gz UGGLVMULCAPNBT-SJORKVTESA-N 1 0 312.461 3.459 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(CC)nn3C2)s1 ZINC000180626199 432093010 /nfs/dbraw/zinc/09/30/10/432093010.db2.gz DTNZMACOUXJXJL-NWDGAFQWSA-N 1 0 304.463 3.130 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc3ccccc3n1)CC2 ZINC000180617726 432093089 /nfs/dbraw/zinc/09/30/89/432093089.db2.gz RUKGORWGMVCVTO-DZGCQCFKSA-N 1 0 321.428 3.054 10 0 DGAERO COCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CC[C@@H](C)C1 ZINC000434986948 238259792 /nfs/dbraw/zinc/25/97/92/238259792.db2.gz QYKYRKZKFYXHQF-KGLIPLIRSA-N 1 0 303.406 3.307 10 0 DGAERO COc1cc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c(C)cc1C ZINC000434895681 238250541 /nfs/dbraw/zinc/25/05/41/238250541.db2.gz LMMZUGKJSPUXKN-UHFFFAOYSA-N 1 0 317.433 3.086 10 0 DGAERO c1cc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)o2)n[nH]1 ZINC000435131387 238277959 /nfs/dbraw/zinc/27/79/59/238277959.db2.gz CPHUDIWZOSTDKY-QGZVFWFLSA-N 1 0 301.390 3.062 10 0 DGAERO O=C(CC[N@H+]1CCC[C@@H](C(F)(F)F)C1)NCC1CCCCC1 ZINC000171000109 432093909 /nfs/dbraw/zinc/09/39/09/432093909.db2.gz YAPWCJRUPJPJIU-CQSZACIVSA-N 1 0 320.399 3.347 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1cccc(C)c1)C1CC1)CC2 ZINC000180633061 432094008 /nfs/dbraw/zinc/09/40/08/432094008.db2.gz PDGVXKUSSBNCAO-ZWKOTPCHSA-N 1 0 324.472 3.075 10 0 DGAERO CCn1ccnc1[C@H]1CCCCN1C(=O)CCOCC(C)C ZINC000435985924 238380752 /nfs/dbraw/zinc/38/07/52/238380752.db2.gz UKRLIQROQLYQRY-OAHLLOKOSA-N 1 0 307.438 3.019 10 0 DGAERO Cc1ccc(-c2ccc(C(=O)N3CCC([NH+](C)C)CC3)s2)o1 ZINC000180675478 432095321 /nfs/dbraw/zinc/09/53/21/432095321.db2.gz IMZDGRBEGBGTSL-UHFFFAOYSA-N 1 0 318.442 3.483 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)CC2 ZINC000180650421 432095493 /nfs/dbraw/zinc/09/54/93/432095493.db2.gz HHMUCMOBFSARED-XHDPSFHLSA-N 1 0 320.387 3.345 10 0 DGAERO Cc1ccc(CN(C)C(=O)NC[C@H](c2cccs2)[NH+](C)C)o1 ZINC000193268476 201017424 /nfs/dbraw/zinc/01/74/24/201017424.db2.gz YDZQXKZLTUNMAP-CQSZACIVSA-N 1 0 321.446 3.094 10 0 DGAERO COc1ccc(-c2ccc(CNC(=O)CC[C@H](C)[NH3+])s2)cc1 ZINC000193283170 201019635 /nfs/dbraw/zinc/01/96/35/201019635.db2.gz RLPWXIZMLIYAOJ-LBPRGKRZSA-N 1 0 318.442 3.167 10 0 DGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000193498828 201064512 /nfs/dbraw/zinc/06/45/12/201064512.db2.gz FITMGKPMFMEWQP-DNVCBOLYSA-N 1 0 308.425 3.148 10 0 DGAERO CC(=O)c1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1C ZINC000193718177 201110506 /nfs/dbraw/zinc/11/05/06/201110506.db2.gz PSOQRNIMFVRAKQ-IBGZPJMESA-N 1 0 324.424 3.230 10 0 DGAERO CN(C(=O)NCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268506149 432096843 /nfs/dbraw/zinc/09/68/43/432096843.db2.gz UVDKVWDJSJVSPZ-IBGZPJMESA-N 1 0 323.440 3.103 10 0 DGAERO OCc1ccc(C[NH2+]CCSCc2ccccc2)cc1F ZINC000193904120 201141743 /nfs/dbraw/zinc/14/17/43/201141743.db2.gz QWVAWWIWLXIDMM-UHFFFAOYSA-N 1 0 305.418 3.341 10 0 DGAERO Cc1cnn(CC[NH2+][C@@H](C)c2cc(Br)cs2)c1 ZINC000194087411 201175348 /nfs/dbraw/zinc/17/53/48/201175348.db2.gz FDWMLNVHWQQBEW-JTQLQIEISA-N 1 0 314.252 3.366 10 0 DGAERO O=C(C1CC(F)(F)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000440548878 238956708 /nfs/dbraw/zinc/95/67/08/238956708.db2.gz UIYMTOCQTMWBEM-CQSZACIVSA-N 1 0 314.420 3.146 10 0 DGAERO c1coc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)no2)c1 ZINC000441234119 239025491 /nfs/dbraw/zinc/02/54/91/239025491.db2.gz VENMMSMKYUMWCZ-UONOGXRCSA-N 1 0 302.374 3.183 10 0 DGAERO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1)C(C)C ZINC000171056168 432097990 /nfs/dbraw/zinc/09/79/90/432097990.db2.gz NUHNZPQQHFENDB-KRWDZBQOSA-N 1 0 304.434 3.089 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cncc(C)c1 ZINC000189860789 432098377 /nfs/dbraw/zinc/09/83/77/432098377.db2.gz AYSKHMXXIFDJKB-MRXNPFEDSA-N 1 0 312.413 3.201 10 0 DGAERO Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cnn2ccccc12)N(C)C ZINC000443006846 239161620 /nfs/dbraw/zinc/16/16/20/239161620.db2.gz KCNQCKMYSIDANJ-JXFKEZNVSA-N 1 0 322.456 3.424 10 0 DGAERO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000444788473 239354621 /nfs/dbraw/zinc/35/46/21/239354621.db2.gz VRMQDCSPVVOYGG-MRXNPFEDSA-N 1 0 300.446 3.061 10 0 DGAERO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000444772545 239348386 /nfs/dbraw/zinc/34/83/86/239348386.db2.gz AWNCREYKAGAVHO-CYBMUJFWSA-N 1 0 322.399 3.031 10 0 DGAERO C[NH+](C)CCOc1cccc(NC(=O)N2CCCC23CCC3)c1 ZINC000444855944 239365630 /nfs/dbraw/zinc/36/56/30/239365630.db2.gz VNSARXUDEIERQJ-UHFFFAOYSA-N 1 0 317.433 3.177 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2F)[C@@H](C)C1 ZINC000245993839 202555098 /nfs/dbraw/zinc/55/50/98/202555098.db2.gz IVAQGOSAIUUVJO-XJKSGUPXSA-N 1 0 307.413 3.328 10 0 DGAERO CC1(C)CCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000171100422 432101734 /nfs/dbraw/zinc/10/17/34/432101734.db2.gz VJPHZGUCIDWBJS-UHFFFAOYSA-N 1 0 315.461 3.019 10 0 DGAERO Cc1[nH+]c2c(n1[C@H]1CCN(c3ccnc(C4CC4)n3)C1)CCCC2 ZINC000275505297 212380042 /nfs/dbraw/zinc/38/00/42/212380042.db2.gz WXXYWKFLLVHINT-HNNXBMFYSA-N 1 0 323.444 3.189 10 0 DGAERO CC[NH+](CC)[C@H](CNC(=O)N(C)C1CCC1)Cc1ccccc1 ZINC000073652678 283778325 /nfs/dbraw/zinc/77/83/25/283778325.db2.gz YCFUGVKAYNCUNK-SFHVURJKSA-N 1 0 317.477 3.133 10 0 DGAERO C[C@H](CCc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246174673 432103697 /nfs/dbraw/zinc/10/36/97/432103697.db2.gz LKFTUPHMGYCFJZ-NUJGCVRESA-N 1 0 317.477 3.132 10 0 DGAERO CCC[N@H+](CCC(=O)N(C)c1ccccc1)C[C@@H]1CCCCO1 ZINC000135185567 432103912 /nfs/dbraw/zinc/10/39/12/432103912.db2.gz IROPSOSOGILNPE-SFHVURJKSA-N 1 0 318.461 3.321 10 0 DGAERO CCc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)s1 ZINC000449073990 240004374 /nfs/dbraw/zinc/00/43/74/240004374.db2.gz AUOCXCRRPCGNHX-UHFFFAOYSA-N 1 0 309.456 3.004 10 0 DGAERO C[C@H](C[NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000449133423 240032871 /nfs/dbraw/zinc/03/28/71/240032871.db2.gz YKOPKVZYAZLTDE-CYBMUJFWSA-N 1 0 321.417 3.123 10 0 DGAERO Clc1cc(C[NH2+]CCCO[C@@H]2CCOC2)c(Cl)s1 ZINC000449193484 240060821 /nfs/dbraw/zinc/06/08/21/240060821.db2.gz SONCTSZYQIDJNV-SNVBAGLBSA-N 1 0 310.246 3.340 10 0 DGAERO CO[C@@H](C)[C@H](C)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449268096 240101335 /nfs/dbraw/zinc/10/13/35/240101335.db2.gz DMKHXLLRUXXMGR-KBPBESRZSA-N 1 0 304.459 3.441 10 0 DGAERO Cc1ccccc1C1CC(N(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C2CC2)C1 ZINC000449294981 240115138 /nfs/dbraw/zinc/11/51/38/240115138.db2.gz OPQOICPYTJBTAF-MRWWZRLISA-N 1 0 312.457 3.088 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000449321764 240129450 /nfs/dbraw/zinc/12/94/50/240129450.db2.gz USKNZFJVSKCRMR-UHFFFAOYSA-N 1 0 307.459 3.149 10 0 DGAERO COc1cc(C)ccc1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000449309599 240125880 /nfs/dbraw/zinc/12/58/80/240125880.db2.gz BRPOUWCNSYORJM-UHFFFAOYSA-N 1 0 308.328 3.290 10 0 DGAERO Cc1cc(CC[NH2+]Cc2cccc(F)c2Br)on1 ZINC000449321158 240129825 /nfs/dbraw/zinc/12/98/25/240129825.db2.gz KYEFEDBGDBKOSX-UHFFFAOYSA-N 1 0 313.170 3.217 10 0 DGAERO c1cc(COc2ccc(C[NH2+]CC3=CCOCC3)cc2)ccn1 ZINC000449401248 240176722 /nfs/dbraw/zinc/17/67/22/240176722.db2.gz GEGZDFLVZISVIY-UHFFFAOYSA-N 1 0 310.397 3.097 10 0 DGAERO Cc1nc(CC(C)C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000246190101 432106256 /nfs/dbraw/zinc/10/62/56/432106256.db2.gz OUIOGYMEGDXHHR-GXTWGEPZSA-N 1 0 323.506 3.205 10 0 DGAERO Cn1cc(N2CCC[C@H]([NH2+][C@@H](c3ccccc3)C3CC3)C2)cn1 ZINC000091347354 193044935 /nfs/dbraw/zinc/04/49/35/193044935.db2.gz BISNPUNRNSQZMO-HKUYNNGSSA-N 1 0 310.445 3.130 10 0 DGAERO CCCC[C@@H](CCC)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091367582 193047023 /nfs/dbraw/zinc/04/70/23/193047023.db2.gz DHZBALNTZWIYSM-UKRRQHHQSA-N 1 0 312.479 3.344 10 0 DGAERO CC(C)[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000091374842 193047597 /nfs/dbraw/zinc/04/75/97/193047597.db2.gz ZMPONICRQHWZOO-HKUYNNGSSA-N 1 0 310.445 3.432 10 0 DGAERO CC1(C)C[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)c2ccccc21 ZINC000180927784 432106682 /nfs/dbraw/zinc/10/66/82/432106682.db2.gz IHKGWERWIJITGL-YJBOKZPZSA-N 1 0 322.456 3.458 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091539344 193070559 /nfs/dbraw/zinc/07/05/59/193070559.db2.gz HQZQRPRRYFQCSS-GXSJLCMTSA-N 1 0 301.217 3.079 10 0 DGAERO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)cc1Cl ZINC000091667173 193088186 /nfs/dbraw/zinc/08/81/86/193088186.db2.gz UEFZVFOANZQGKL-SWLSCSKDSA-N 1 0 317.260 3.365 10 0 DGAERO COc1c(C)cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)cc1C ZINC000091832531 193114193 /nfs/dbraw/zinc/11/41/93/193114193.db2.gz SJARTLVJIYKMFI-INIZCTEOSA-N 1 0 315.417 3.383 10 0 DGAERO COc1cc(C[N@H+]([C@H](C)C2CC2)C2CC2)cc2c1OCCO2 ZINC000092009513 193141478 /nfs/dbraw/zinc/14/14/78/193141478.db2.gz MIIFYAPGXWEPES-GFCCVEGCSA-N 1 0 303.402 3.229 10 0 DGAERO C[C@H]([N@H+](C)Cc1ccc(Br)c(F)c1)C(C)(C)O ZINC000451358421 241092828 /nfs/dbraw/zinc/09/28/28/241092828.db2.gz FWDRYVFTQJLQJF-VIFPVBQESA-N 1 0 304.203 3.179 10 0 DGAERO CO[C@H]1CC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C[C@H]1C ZINC000451577665 241180780 /nfs/dbraw/zinc/18/07/80/241180780.db2.gz VXADSPKQNWHJSJ-PXAZEXFGSA-N 1 0 300.402 3.016 10 0 DGAERO O[C@@H](C[NH2+][C@@H]1CCC12CCCC2)COCc1ccccc1F ZINC000451469289 241132139 /nfs/dbraw/zinc/13/21/39/241132139.db2.gz LXYJGCWYNAVAFW-DOTOQJQBSA-N 1 0 307.409 3.016 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccc(C)s2)C(C)C)C1 ZINC000171164859 432109315 /nfs/dbraw/zinc/10/93/15/432109315.db2.gz MSZAEBMXTDOOMM-OAHLLOKOSA-N 1 0 323.506 3.461 10 0 DGAERO Fc1ccccc1-n1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)n1 ZINC000451914250 241273537 /nfs/dbraw/zinc/27/35/37/241273537.db2.gz ZDXIFEWYPLYWEK-GOSISDBHSA-N 1 0 315.392 3.014 10 0 DGAERO COCC[C@H]([NH2+]C[C@@H](O)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000451697469 241211193 /nfs/dbraw/zinc/21/11/93/241211193.db2.gz WGTDLHSVTIOBCF-LSDHHAIUSA-N 1 0 319.367 3.390 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000171178216 432109619 /nfs/dbraw/zinc/10/96/19/432109619.db2.gz AZEFUQPDHRJEMH-ZIAGYGMSSA-N 1 0 307.438 3.246 10 0 DGAERO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000189990075 432110358 /nfs/dbraw/zinc/11/03/58/432110358.db2.gz NVYATIMXCQBEEF-IBGZPJMESA-N 1 0 310.397 3.276 10 0 DGAERO OC[C@H]1CC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000453139494 241644217 /nfs/dbraw/zinc/64/42/17/241644217.db2.gz NABWAKKDQLQNKZ-PSBWJHGTSA-N 1 0 303.446 3.295 10 0 DGAERO c1ccc2c(c1)CCC([NH2+]CCc1cnc(C3CC3)nc1)CC2 ZINC000453171753 241656922 /nfs/dbraw/zinc/65/69/22/241656922.db2.gz HROPUAZKJQBWDX-UHFFFAOYSA-N 1 0 307.441 3.434 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCO[C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000246230531 432111042 /nfs/dbraw/zinc/11/10/42/432111042.db2.gz XEODTAPLZMOKMW-ULQDDVLXSA-N 1 0 312.498 3.016 10 0 DGAERO OCCC1(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000189999521 432111906 /nfs/dbraw/zinc/11/19/06/432111906.db2.gz GKXXCXUXAVSRPV-UHFFFAOYSA-N 1 0 321.424 3.278 10 0 DGAERO Cc1cc(C)c(CNC(=O)Nc2cccc(N(C)C)c2C)cn1 ZINC000455076112 242103232 /nfs/dbraw/zinc/10/32/32/242103232.db2.gz RBPQFAKAEJWKQJ-UHFFFAOYSA-N 1 0 312.417 3.395 10 0 DGAERO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)CC1(CO)CC1 ZINC000190014839 432112413 /nfs/dbraw/zinc/11/24/13/432112413.db2.gz RLOPDXZALFZHKR-UHFFFAOYSA-N 1 0 324.424 3.143 10 0 DGAERO Cc1cc(C[N@H+](C)CCc2ccc(F)cc2)ccc1-n1cncn1 ZINC000092150002 193168137 /nfs/dbraw/zinc/16/81/37/193168137.db2.gz RATGUUWZBSKLIE-UHFFFAOYSA-N 1 0 324.403 3.389 10 0 DGAERO Cc1cccc(CCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000181124967 432115217 /nfs/dbraw/zinc/11/52/17/432115217.db2.gz LGBDSAWVVAHLML-FQEVSTJZSA-N 1 0 316.489 3.114 10 0 DGAERO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091319136 283999670 /nfs/dbraw/zinc/99/96/70/283999670.db2.gz CRTVTAQVHSFUCI-LXZKKBNFSA-N 1 0 324.490 3.344 10 0 DGAERO CC(C)Cn1cc(C(=O)N2CCC[C@H](C[NH3+])C2)c2ccccc21 ZINC000457360601 242732156 /nfs/dbraw/zinc/73/21/56/242732156.db2.gz HXXCJIYBRCRQCH-OAHLLOKOSA-N 1 0 313.445 3.108 10 0 DGAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1nnc2n1CCCC2 ZINC000130757852 296113053 /nfs/dbraw/zinc/11/30/53/296113053.db2.gz YEEGFKRRUWGXQO-VQGSXZNQSA-N 1 0 300.450 3.090 10 0 DGAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000093685211 284013469 /nfs/dbraw/zinc/01/34/69/284013469.db2.gz RHEOVKJKBUBFBM-GFCCVEGCSA-N 1 0 306.372 3.052 10 0 DGAERO COc1cccc(C[NH+]2CCC(OCC(C)C)CC2)c1OC ZINC000092223202 193176660 /nfs/dbraw/zinc/17/66/60/193176660.db2.gz QFCAGTVXDSUUFZ-UHFFFAOYSA-N 1 0 307.434 3.341 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000458424337 243057346 /nfs/dbraw/zinc/05/73/46/243057346.db2.gz RXHZBGRLJYAXPL-DLBZAZTESA-N 1 0 317.477 3.130 10 0 DGAERO CC(C)[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1cccc(Cl)c1 ZINC000249839855 202815368 /nfs/dbraw/zinc/81/53/68/202815368.db2.gz FVNPTNBVPQOYQN-RCBQFDQVSA-N 1 0 308.853 3.194 10 0 DGAERO O=C(N[C@@H]1CCCc2sccc21)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250175012 284048330 /nfs/dbraw/zinc/04/83/30/284048330.db2.gz NQKCCZHRSOCQON-MYPMTAMASA-N 1 0 304.459 3.162 10 0 DGAERO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000459033607 243232260 /nfs/dbraw/zinc/23/22/60/243232260.db2.gz CEZGFEKNLGKRBO-DZKIICNBSA-N 1 0 321.465 3.275 10 0 DGAERO CC[C@@H]1C[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000459032780 243233158 /nfs/dbraw/zinc/23/31/58/243233158.db2.gz UMYKTNZOIFVZNJ-KURKYZTESA-N 1 0 321.509 3.330 10 0 DGAERO CCn1nncc1C[N@@H+]1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000459404761 243361419 /nfs/dbraw/zinc/36/14/19/243361419.db2.gz RIPQCPZMKGUTDE-QGZVFWFLSA-N 1 0 312.461 3.486 10 0 DGAERO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000112675714 284094226 /nfs/dbraw/zinc/09/42/26/284094226.db2.gz ZYTDTMIEPWMASG-SJORKVTESA-N 1 0 309.475 3.395 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc2ccccc2c1 ZINC000113616477 284103120 /nfs/dbraw/zinc/10/31/20/284103120.db2.gz BMPXBQDAOMUPHF-DNVCBOLYSA-N 1 0 323.440 3.218 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H](C)C1 ZINC000113624294 284103783 /nfs/dbraw/zinc/10/37/83/284103783.db2.gz RJSRHWJMDRWEHF-NUJGCVRESA-N 1 0 321.509 3.329 10 0 DGAERO CC(C)N(Cc1ccccc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466933923 243957908 /nfs/dbraw/zinc/95/79/08/243957908.db2.gz MNXQEWPZVLMGAD-QAPCUYQASA-N 1 0 315.461 3.089 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114582239 284109843 /nfs/dbraw/zinc/10/98/43/284109843.db2.gz OHXBXGHSAUPVJC-GOSISDBHSA-N 1 0 307.482 3.250 10 0 DGAERO CC(C)(C)Sc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261748087 203107657 /nfs/dbraw/zinc/10/76/57/203107657.db2.gz DRURPLSTBCGENS-OCCSQVGLSA-N 1 0 308.447 3.022 10 0 DGAERO FC(F)(F)C(F)(F)COCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000469722089 244116794 /nfs/dbraw/zinc/11/67/94/244116794.db2.gz VVTLVNKVZOUMGZ-QWRGUYRKSA-N 1 0 301.299 3.323 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000116180742 284119861 /nfs/dbraw/zinc/11/98/61/284119861.db2.gz NEEKXZPFQOUJNG-WMLDXEAASA-N 1 0 308.441 3.412 10 0 DGAERO COc1cccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000470940320 244196267 /nfs/dbraw/zinc/19/62/67/244196267.db2.gz MQRFALNTMVKVBN-BXUZGUMPSA-N 1 0 303.324 3.347 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)C1 ZINC000471801877 244247898 /nfs/dbraw/zinc/24/78/98/244247898.db2.gz YLYILOSFXOEJOD-INMHGKMJSA-N 1 0 319.836 3.320 10 0 DGAERO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000471819983 244253129 /nfs/dbraw/zinc/25/31/29/244253129.db2.gz LAADLRMHOHDDCF-HOTGVXAUSA-N 1 0 305.418 3.299 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000471823920 244255629 /nfs/dbraw/zinc/25/56/29/244255629.db2.gz QZYFGSSUCDTILH-ZWKOTPCHSA-N 1 0 313.445 3.205 10 0 DGAERO CCC[C@](C)([NH3+])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000262098380 203198060 /nfs/dbraw/zinc/19/80/60/203198060.db2.gz CCEXBQFJLGTOFS-SFHVURJKSA-N 1 0 316.401 3.452 10 0 DGAERO c1nc2ccccc2n1CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000474041872 244363491 /nfs/dbraw/zinc/36/34/91/244363491.db2.gz WRTGEVWEWBGSQE-GVDBMIGSSA-N 1 0 313.445 3.221 10 0 DGAERO c1nc2ccccc2n1CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000474041879 244363544 /nfs/dbraw/zinc/36/35/44/244363544.db2.gz WRTGEVWEWBGSQE-IXDOHACOSA-N 1 0 313.445 3.221 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C/C=C/c2cccc(F)c2)C1 ZINC000119527249 284145102 /nfs/dbraw/zinc/14/51/02/284145102.db2.gz PRXWIVLKTGQTBE-UKINESCASA-N 1 0 318.436 3.323 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCCc1ccc(F)c(F)c1 ZINC000119709360 284149943 /nfs/dbraw/zinc/14/99/43/284149943.db2.gz RTEXTGKIRZHRAN-AWEZNQCLSA-N 1 0 324.415 3.278 10 0 DGAERO CCc1ccc(C2=CC[N@H+](CCC(=O)NC(C)C)CC2)cc1 ZINC000093262633 193222041 /nfs/dbraw/zinc/22/20/41/193222041.db2.gz ISUSTRQYEBLSPT-UHFFFAOYSA-N 1 0 300.446 3.253 10 0 DGAERO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccco2)c(-c2ccncc2)n1 ZINC000093335364 193233769 /nfs/dbraw/zinc/23/37/69/193233769.db2.gz PIEWFXLECCPART-INIZCTEOSA-N 1 0 308.385 3.412 10 0 DGAERO COc1ccc2oc(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cc2c1 ZINC000093437733 193251360 /nfs/dbraw/zinc/25/13/60/193251360.db2.gz ZWSYSJCRJHFCOB-DZGCQCFKSA-N 1 0 300.402 3.110 10 0 DGAERO COc1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc2c1OCCO2 ZINC000093441912 193252435 /nfs/dbraw/zinc/25/24/35/193252435.db2.gz UGFORQYYCWQIJF-HUUCEWRRSA-N 1 0 303.402 3.088 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000120353624 284166996 /nfs/dbraw/zinc/16/69/96/284166996.db2.gz XVHGAGMIQJZZRB-YOEHRIQHSA-N 1 0 319.449 3.324 10 0 DGAERO COc1c(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)c(C)nn1C ZINC000093563009 193267777 /nfs/dbraw/zinc/26/77/77/193267777.db2.gz YUKHYJSFQFSJQF-ZBFHGGJFSA-N 1 0 313.445 3.424 10 0 DGAERO COCCCOC1CC[NH+](C/C=C/c2ccccc2OC)CC1 ZINC000093561458 193268156 /nfs/dbraw/zinc/26/81/56/193268156.db2.gz MENDBAURIIOXOS-VMPITWQZSA-N 1 0 319.445 3.226 10 0 DGAERO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000093644331 193280475 /nfs/dbraw/zinc/28/04/75/193280475.db2.gz LOPNLKGKDNANEJ-CRAIPNDOSA-N 1 0 312.461 3.300 10 0 DGAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000262730137 203393571 /nfs/dbraw/zinc/39/35/71/203393571.db2.gz CCHLCMDRAASIKL-UKRRQHHQSA-N 1 0 314.385 3.414 10 0 DGAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(C(N)=O)cs2)C12CCCC2 ZINC000093611142 193274142 /nfs/dbraw/zinc/27/41/42/193274142.db2.gz LZSOUIFKQJYDAX-LSDHHAIUSA-N 1 0 322.474 3.017 10 0 DGAERO CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)s1 ZINC000093691534 193291058 /nfs/dbraw/zinc/29/10/58/193291058.db2.gz FFUIEEFRTFWXFO-AWEZNQCLSA-N 1 0 317.458 3.489 10 0 DGAERO CC[N@H+](CCc1nccs1)CC1=Cc2ccccc2OC1 ZINC000093764572 193301526 /nfs/dbraw/zinc/30/15/26/193301526.db2.gz VFMAQWKLJBOKKH-UHFFFAOYSA-N 1 0 300.427 3.484 10 0 DGAERO COc1ccc2oc(C[N@H+](C)[C@H]3CCN(C)[C@@H](C)C3)cc2c1 ZINC000093645098 193282038 /nfs/dbraw/zinc/28/20/38/193282038.db2.gz QJFWBYFTEOOWHS-ZFWWWQNUSA-N 1 0 302.418 3.356 10 0 DGAERO c1c(CN2CC[C@H](C[NH+]3CCCCC3)C2)[nH]nc1-c1ccccc1 ZINC000093683910 193288145 /nfs/dbraw/zinc/28/81/45/193288145.db2.gz WIGLJVSRRHFBHW-QGZVFWFLSA-N 1 0 324.472 3.385 10 0 DGAERO C[N@@H+](Cc1ccc(-c2ccncc2)cc1F)C[C@@H]1CCOC1 ZINC000093839674 193316815 /nfs/dbraw/zinc/31/68/15/193316815.db2.gz RTBMRTZHDWSMNZ-AWEZNQCLSA-N 1 0 300.377 3.356 10 0 DGAERO c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1C1=CCCCC1)CC2 ZINC000246343002 432121124 /nfs/dbraw/zinc/12/11/24/432121124.db2.gz HBPLICGAQCYVLS-IXDOHACOSA-N 1 0 300.450 3.242 10 0 DGAERO CC(C)[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246339865 432121828 /nfs/dbraw/zinc/12/18/28/432121828.db2.gz IVUUOUTWBIRMDL-YESZJQIVSA-N 1 0 309.498 3.327 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc(F)ccc2Cl)C1 ZINC000122412286 284219123 /nfs/dbraw/zinc/21/91/23/284219123.db2.gz JHMJDNUSTFFGCU-YGRLFVJLSA-N 1 0 313.804 3.329 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCCCC2(C)C)CC1 ZINC000122473098 284220314 /nfs/dbraw/zinc/22/03/14/284220314.db2.gz LXBDFBMQDFVYIB-GPANFISMSA-N 1 0 309.498 3.375 10 0 DGAERO CCOc1c(Cl)cccc1C[NH2+][C@H](C)Cc1cc(C)n[nH]1 ZINC000487278463 245042678 /nfs/dbraw/zinc/04/26/78/245042678.db2.gz NXLZQAXPVJNYBN-LLVKDONJSA-N 1 0 307.825 3.491 10 0 DGAERO CS[C@@H](C[NH2+]Cc1c(Br)cnn1C)C(C)(C)C ZINC000487579485 245081064 /nfs/dbraw/zinc/08/10/64/245081064.db2.gz ZEIVUEUVGCLHSF-NSHDSACASA-N 1 0 320.300 3.050 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000123533433 284240451 /nfs/dbraw/zinc/24/04/51/284240451.db2.gz PQPJQPBTFKGFTK-RYUDHWBXSA-N 1 0 317.260 3.365 10 0 DGAERO CCC1CCC([N@H+](CCO)Cc2cnn3ccccc23)CC1 ZINC000488518059 245203690 /nfs/dbraw/zinc/20/36/90/245203690.db2.gz SBWGELLPHOIXMG-UHFFFAOYSA-N 1 0 301.434 3.097 10 0 DGAERO Fc1cccnc1O[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000489026672 245264235 /nfs/dbraw/zinc/26/42/35/245264235.db2.gz QFYUEQYGEILHSQ-MRXNPFEDSA-N 1 0 300.377 3.307 10 0 DGAERO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCCCC1 ZINC000246360153 432123477 /nfs/dbraw/zinc/12/34/77/432123477.db2.gz KRFLVWVEVPVPTC-MGPQQGTHSA-N 1 0 320.399 3.488 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000489551394 245323042 /nfs/dbraw/zinc/32/30/42/245323042.db2.gz LRWXALLOFMJGKA-BPQIPLTHSA-N 1 0 317.477 3.271 10 0 DGAERO COc1ccc(CC[N@@H+]2CCc3cccc(OC)c3CC2)cc1 ZINC000489560384 245323119 /nfs/dbraw/zinc/32/31/19/245323119.db2.gz QYOMCRVJMZNPKF-UHFFFAOYSA-N 1 0 311.425 3.347 10 0 DGAERO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000190104643 432123987 /nfs/dbraw/zinc/12/39/87/432123987.db2.gz WNQLPTUDBSPGNB-OAHLLOKOSA-N 1 0 307.438 3.166 10 0 DGAERO CCCOc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000124885060 284266004 /nfs/dbraw/zinc/26/60/04/284266004.db2.gz TYUJSVDHWJRBSW-WMLDXEAASA-N 1 0 319.449 3.326 10 0 DGAERO O=C(Nc1cc(F)ccc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171501708 284282453 /nfs/dbraw/zinc/28/24/53/284282453.db2.gz JKOYJCAOJQSWSV-ZDUSSCGKSA-N 1 0 309.360 3.057 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2ccsc2Br)[C@@H]2CCO[C@H]21 ZINC000282489824 217034118 /nfs/dbraw/zinc/03/41/18/217034118.db2.gz QZBGYXOAERMGAQ-HBNTYKKESA-N 1 0 316.264 3.414 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000282508315 217049904 /nfs/dbraw/zinc/04/99/04/217049904.db2.gz XFYFBUVCHIXXSS-MWODSPESSA-N 1 0 301.217 3.311 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2nsc(N(C)C)n2)C1 ZINC000126323676 284300767 /nfs/dbraw/zinc/30/07/67/284300767.db2.gz UCGQJZJKGAEFHJ-UONOGXRCSA-N 1 0 316.474 3.291 10 0 DGAERO O=C(Nc1ccc(F)cc1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107723816 284308130 /nfs/dbraw/zinc/30/81/30/284308130.db2.gz WWOUSEDYHNFTSQ-CQSZACIVSA-N 1 0 323.387 3.447 10 0 DGAERO CCS[C@@H]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000246374767 432125523 /nfs/dbraw/zinc/12/55/23/432125523.db2.gz JLKSJKBDXUOOPH-QLFBSQMISA-N 1 0 315.527 3.032 10 0 DGAERO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)s1 ZINC000246372116 432125719 /nfs/dbraw/zinc/12/57/19/432125719.db2.gz OAVJDYDGNJQDTC-NWDGAFQWSA-N 1 0 314.882 3.496 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246395081 432126426 /nfs/dbraw/zinc/12/64/26/432126426.db2.gz LEQGTGPYXRCLHR-PMPSAXMXSA-N 1 0 302.466 3.250 10 0 DGAERO C[C@H](C(=O)NC[C@H]1C[C@H]1c1ccccc1)[NH+]1CCCCCC1 ZINC000246394260 432126554 /nfs/dbraw/zinc/12/65/54/432126554.db2.gz PQJNMZBUAWTQKK-NXHRZFHOSA-N 1 0 300.446 3.171 10 0 DGAERO c1cc2c(cccc2CC[NH2+]Cc2ccc(N3CCCC3)nc2)[nH]1 ZINC000282664472 217162915 /nfs/dbraw/zinc/16/29/15/217162915.db2.gz MGHMOZVVMUEVEF-UHFFFAOYSA-N 1 0 320.440 3.495 10 0 DGAERO CCc1cc(C)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000127069883 284326408 /nfs/dbraw/zinc/32/64/08/284326408.db2.gz PPKGNDRTEPWALH-OAHLLOKOSA-N 1 0 304.434 3.241 10 0 DGAERO COCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C)n2)cc1 ZINC000127237490 284332048 /nfs/dbraw/zinc/33/20/48/284332048.db2.gz NEGLUYHLJSJSAS-OAHLLOKOSA-N 1 0 300.402 3.266 10 0 DGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000171378254 432127430 /nfs/dbraw/zinc/12/74/30/432127430.db2.gz MWYFPVVYYYFMLU-PWSUYJOCSA-N 1 0 319.371 3.338 10 0 DGAERO CCCn1nccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000127761908 284350635 /nfs/dbraw/zinc/35/06/35/284350635.db2.gz LSKZYYASTOMLAZ-UHFFFAOYSA-N 1 0 312.417 3.141 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)[C@H](C)C1 ZINC000127820305 284352953 /nfs/dbraw/zinc/35/29/53/284352953.db2.gz MFOYNCCZJBILBD-NNXHMXCWSA-N 1 0 309.498 3.183 10 0 DGAERO C[C@]1(C[NH2+][C@@H]2CCN(CCc3ccccc3)C2)CCCS1 ZINC000127885034 284356046 /nfs/dbraw/zinc/35/60/46/284356046.db2.gz WXJJRZSJRGOYLI-QZTJIDSGSA-N 1 0 304.503 3.179 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(C)s1 ZINC000246423816 432128725 /nfs/dbraw/zinc/12/87/25/432128725.db2.gz MIOVNZCINKWWDB-HIFRSBDPSA-N 1 0 321.490 3.306 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)Cc2cccs2)[C@@H](C)C1 ZINC000246423749 432129043 /nfs/dbraw/zinc/12/90/43/432129043.db2.gz LZKYHIGJJNZIEZ-DZKIICNBSA-N 1 0 323.506 3.051 10 0 DGAERO CCOc1ccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128391018 284373953 /nfs/dbraw/zinc/37/39/53/284373953.db2.gz XFUOQTNOJHWOPW-APWZRJJASA-N 1 0 319.445 3.091 10 0 DGAERO C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000128477953 284376903 /nfs/dbraw/zinc/37/69/03/284376903.db2.gz NFWOVUFGMQESQH-ZWKOTPCHSA-N 1 0 309.542 3.209 10 0 DGAERO C[C@@H](CCO)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000097439852 193720889 /nfs/dbraw/zinc/72/08/89/193720889.db2.gz JKHCFYNIPIISSA-STQMWFEESA-N 1 0 301.377 3.217 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1cncc(F)c1)N(C)C(=O)OC(C)(C)C ZINC000282959665 217351383 /nfs/dbraw/zinc/35/13/83/217351383.db2.gz YHOAVYMIJBLOCG-NEPJUHHUSA-N 1 0 311.401 3.127 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000128756091 284386087 /nfs/dbraw/zinc/38/60/87/284386087.db2.gz VPPKALFHWUROQP-ZIAGYGMSSA-N 1 0 302.349 3.085 10 0 DGAERO [NH3+]C[C@H](c1ccc(Br)o1)N1CCc2ccccc2C1 ZINC000019261860 182111777 /nfs/dbraw/zinc/11/17/77/182111777.db2.gz LQBUXJRFHUIVKT-CYBMUJFWSA-N 1 0 321.218 3.100 10 0 DGAERO NC(=[NH2+])c1cccnc1Oc1ccc(F)cc1Br ZINC000019440314 182123140 /nfs/dbraw/zinc/12/31/40/182123140.db2.gz JLICWTGNCHAKCA-UHFFFAOYSA-N 1 0 310.126 3.060 10 0 DGAERO [NH3+][C@H](CC(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000019423406 182122338 /nfs/dbraw/zinc/12/23/38/182122338.db2.gz AXWHTQNEZPQYTC-CQSZACIVSA-N 1 0 319.202 3.478 10 0 DGAERO [NH3+]Cc1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000019518083 182127156 /nfs/dbraw/zinc/12/71/56/182127156.db2.gz VSVSJCUXSSSKSH-UHFFFAOYSA-N 1 0 305.175 3.160 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)CSc2ccccc2)CC1 ZINC000129123689 284398316 /nfs/dbraw/zinc/39/83/16/284398316.db2.gz DQXDCCKKAZNKEH-UHFFFAOYSA-N 1 0 306.475 3.017 10 0 DGAERO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246440151 432130862 /nfs/dbraw/zinc/13/08/62/432130862.db2.gz DMOANASVSVVGGZ-NVXWUHKLSA-N 1 0 318.461 3.385 10 0 DGAERO CC[NH+](CC)[C@](C)(CN)CCc1ccc(OC(F)F)cc1 ZINC000019807635 182152912 /nfs/dbraw/zinc/15/29/12/182152912.db2.gz WOPMNTAVQOVRKK-INIZCTEOSA-N 1 0 300.393 3.280 10 0 DGAERO Cc1cc(Br)cc(C)c1NC(=O)C1CC[NH2+]CC1 ZINC000020032945 182181992 /nfs/dbraw/zinc/18/19/92/182181992.db2.gz UKMMVSKMQQRXFI-UHFFFAOYSA-N 1 0 311.223 3.004 10 0 DGAERO COc1ccccc1CN(C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226016 182198709 /nfs/dbraw/zinc/19/87/09/182198709.db2.gz JTUOMDPCLSRXJS-INIZCTEOSA-N 1 0 304.821 3.480 10 0 DGAERO COc1ccc(CN(C)[C@@H](C[NH3+])c2ccc(Cl)cc2)cc1 ZINC000020226020 182198861 /nfs/dbraw/zinc/19/88/61/182198861.db2.gz KVYBOIZATWXGJU-KRWDZBQOSA-N 1 0 304.821 3.480 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)NC1(c2ccccc2)CCC1 ZINC000171425936 432133143 /nfs/dbraw/zinc/13/31/43/432133143.db2.gz LACZLLYTTWPCNR-OAHLLOKOSA-N 1 0 303.450 3.095 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2c(F)cccc2Cl)CC1 ZINC000130254986 284437549 /nfs/dbraw/zinc/43/75/49/284437549.db2.gz DOAODYJEMZILCP-UHFFFAOYSA-N 1 0 312.816 3.329 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccc2cc1O ZINC000246465762 432133938 /nfs/dbraw/zinc/13/39/38/432133938.db2.gz AMEDTDKMPWEULY-IRXDYDNUSA-N 1 0 324.424 3.244 10 0 DGAERO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCCSC1 ZINC000135696482 432133843 /nfs/dbraw/zinc/13/38/43/432133843.db2.gz IYYLDAOZXOJGKC-HNNXBMFYSA-N 1 0 301.459 3.474 10 0 DGAERO CC(C)C[N@@H+]1CCO[C@H](CSc2nc3ccccc3[nH]2)C1 ZINC000022090073 182308467 /nfs/dbraw/zinc/30/84/67/182308467.db2.gz SIQFSHZSFZYUEC-ZDUSSCGKSA-N 1 0 305.447 3.012 10 0 DGAERO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1c(F)cccc1F ZINC000134928653 284455114 /nfs/dbraw/zinc/45/51/14/284455114.db2.gz GYDSVINIDOEJSY-IYXRBSQSSA-N 1 0 324.415 3.305 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)[C@@H](C)C1 ZINC000246469928 432135049 /nfs/dbraw/zinc/13/50/49/432135049.db2.gz PVPIFYJXIMMJIU-NNXHMXCWSA-N 1 0 309.498 3.183 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246457205 432135078 /nfs/dbraw/zinc/13/50/78/432135078.db2.gz POQQJVMPOGYGRG-KCQAQPDRSA-N 1 0 307.507 3.401 10 0 DGAERO O=C(C[NH2+][C@@H](Cc1ccccc1)C1CC1)Nc1ccccc1F ZINC000181556374 432135202 /nfs/dbraw/zinc/13/52/02/432135202.db2.gz CEZQGSJEGGLCHK-SFHVURJKSA-N 1 0 312.388 3.375 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)c1ccoc1 ZINC000246474351 432136663 /nfs/dbraw/zinc/13/66/63/432136663.db2.gz QTKSLQFVXOUMAR-FMKPAKJESA-N 1 0 320.458 3.454 10 0 DGAERO CCC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246495346 432138339 /nfs/dbraw/zinc/13/83/39/432138339.db2.gz SVZVHAQDTBCPIQ-ROUUACIJSA-N 1 0 315.461 3.408 10 0 DGAERO CC(C)Cc1nc(C(=O)N2CCC([NH+]3CCCC3)CC2)cs1 ZINC000171506177 432138577 /nfs/dbraw/zinc/13/85/77/432138577.db2.gz UZPNARPZZDLKDH-UHFFFAOYSA-N 1 0 321.490 3.042 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](CCOc3ccccc3C)C2)no1 ZINC000171504096 432139072 /nfs/dbraw/zinc/13/90/72/432139072.db2.gz BSYMZOWHTZNTRB-MRXNPFEDSA-N 1 0 315.417 3.020 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2CCSc2ccc(F)cc2)cn1 ZINC000171504653 432138868 /nfs/dbraw/zinc/13/88/68/432138868.db2.gz DLAAJMAMYCPTBW-INIZCTEOSA-N 1 0 305.422 3.488 10 0 DGAERO CCC(=CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CC ZINC000246519513 432140025 /nfs/dbraw/zinc/14/00/25/432140025.db2.gz IMKLOHCWTMGMKY-QAPCUYQASA-N 1 0 315.461 3.155 10 0 DGAERO CCc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000246545133 432141925 /nfs/dbraw/zinc/14/19/25/432141925.db2.gz WSLYYIBSMBCEOW-CZUORRHYSA-N 1 0 323.506 3.182 10 0 DGAERO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000171548892 432142873 /nfs/dbraw/zinc/14/28/73/432142873.db2.gz ZQNLQZSTDOZQCK-CYBMUJFWSA-N 1 0 318.371 3.028 10 0 DGAERO C[C@H](c1ccc(F)cc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000171553298 432143234 /nfs/dbraw/zinc/14/32/34/432143234.db2.gz PYUSOAFZCRGIHH-CQSZACIVSA-N 1 0 314.408 3.278 10 0 DGAERO COCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246564524 432144392 /nfs/dbraw/zinc/14/43/92/432144392.db2.gz XIPZJMBCTHABRY-XZJROXQQSA-N 1 0 314.832 3.239 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H](C)CC[C@@H]2C)C1 ZINC000246556124 432144425 /nfs/dbraw/zinc/14/44/25/432144425.db2.gz XQVSRISVNFTFBW-YESZJQIVSA-N 1 0 309.498 3.184 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccc(F)cc1 ZINC000246578190 432145376 /nfs/dbraw/zinc/14/53/76/432145376.db2.gz IBCQVQPMINFQLA-XYPHTWIQSA-N 1 0 318.436 3.140 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000246578069 432146102 /nfs/dbraw/zinc/14/61/02/432146102.db2.gz IAQIYUWBJZOHEP-SWLSCSKDSA-N 1 0 310.800 3.035 10 0 DGAERO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000246579153 432146330 /nfs/dbraw/zinc/14/63/30/432146330.db2.gz RZIRUMACJKVAPQ-QILLFSRXSA-N 1 0 319.493 3.223 10 0 DGAERO CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246578207 432146336 /nfs/dbraw/zinc/14/63/36/432146336.db2.gz WALYQBHXOBFQCK-XWIAVFTESA-N 1 0 324.415 3.068 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](CCCCC(=O)OC(C)(C)C)C2)c1 ZINC000181853723 432147142 /nfs/dbraw/zinc/14/71/42/432147142.db2.gz JXQBWPGIEQMJTE-MRXNPFEDSA-N 1 0 321.465 3.340 10 0 DGAERO COC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000246600071 432147246 /nfs/dbraw/zinc/14/72/46/432147246.db2.gz ANZBUDHRKVKKNS-UONOGXRCSA-N 1 0 301.390 3.156 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(Cl)c2F)C1 ZINC000246600298 432147724 /nfs/dbraw/zinc/14/77/24/432147724.db2.gz IYWWLJXGAFWASW-FZMZJTMJSA-N 1 0 310.800 3.035 10 0 DGAERO CCC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000171589658 432147859 /nfs/dbraw/zinc/14/78/59/432147859.db2.gz SVZVHAQDTBCPIQ-QZTJIDSGSA-N 1 0 315.461 3.408 10 0 DGAERO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H]3CC=CCC3)cn2)C[C@H](C)O1 ZINC000246590857 432147655 /nfs/dbraw/zinc/14/76/55/432147655.db2.gz GQWJFIHCLKKLIF-IXDOHACOSA-N 1 0 315.461 3.141 10 0 DGAERO CC[C@H]([NH3+])Cc1cc(Br)ccc1OCC(F)F ZINC000037756440 182924001 /nfs/dbraw/zinc/92/40/01/182924001.db2.gz KMBNBQMUTXCIIG-JTQLQIEISA-N 1 0 308.166 3.373 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(Br)s1 ZINC000038003287 182959622 /nfs/dbraw/zinc/95/96/22/182959622.db2.gz XXVCPWCKOYLJPG-GUBZILKMSA-N 1 0 304.253 3.465 10 0 DGAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000136244932 432149302 /nfs/dbraw/zinc/14/93/02/432149302.db2.gz AHAWLHBHORKTQG-NOZJJQNGSA-N 1 0 318.642 3.353 10 0 DGAERO CC(C)(C)c1nc2ccccc2n1CCC[NH+]1CCOCC1 ZINC000040389807 183060071 /nfs/dbraw/zinc/06/00/71/183060071.db2.gz AJPIPOVFDJMYOH-UHFFFAOYSA-N 1 0 301.434 3.056 10 0 DGAERO CCc1ccccc1Nc1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040688322 183117728 /nfs/dbraw/zinc/11/77/28/183117728.db2.gz ISQREIHSBFKSHM-UHFFFAOYSA-N 1 0 300.410 3.080 10 0 DGAERO CC1CC[NH+](CC(=O)NCc2cccc(-c3ccccn3)c2)CC1 ZINC000152981104 284652037 /nfs/dbraw/zinc/65/20/37/284652037.db2.gz IGHSWVHYMKESAL-UHFFFAOYSA-N 1 0 323.440 3.097 10 0 DGAERO CC(C)(C)NNc1[nH+]cnc(Nc2cccc(Cl)c2)c1N ZINC000040781815 183133106 /nfs/dbraw/zinc/13/31/06/183133106.db2.gz BVWOWUQYMLPMRG-UHFFFAOYSA-N 1 0 306.801 3.171 10 0 DGAERO CN(Cc1csc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747199 183128539 /nfs/dbraw/zinc/12/85/39/183128539.db2.gz YSNXUVLWOJOKCT-FOSCPWQOSA-N 1 0 315.280 3.225 10 0 DGAERO CC[N@H+](CCC(N)=S)Cc1ccc(Br)cc1F ZINC000042452374 183271906 /nfs/dbraw/zinc/27/19/06/183271906.db2.gz MKAAKPXMGHXJNG-UHFFFAOYSA-N 1 0 319.243 3.086 10 0 DGAERO CC(C)CN(C(C)C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042579248 183287082 /nfs/dbraw/zinc/28/70/82/183287082.db2.gz YYSKGULBDXTKTJ-LLVKDONJSA-N 1 0 303.244 3.408 10 0 DGAERO COCCN([C@@H](C)C1CC1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042615222 183291270 /nfs/dbraw/zinc/29/12/70/183291270.db2.gz CQZXEUZADYURKC-JQWIXIFHSA-N 1 0 302.871 3.148 10 0 DGAERO CCOCCO[C@@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042957177 183322689 /nfs/dbraw/zinc/32/26/89/183322689.db2.gz NPDIJUNUODSFEV-KGLIPLIRSA-N 1 0 316.239 3.281 10 0 DGAERO CCc1c(C)nn([C@@H](C[NH3+])c2ccc(Br)cc2)c1C ZINC000042956136 183323035 /nfs/dbraw/zinc/32/30/35/183323035.db2.gz ZQZLWTYLBYBKGB-HNNXBMFYSA-N 1 0 322.250 3.373 10 0 DGAERO CC[C@@H]([NH3+])[C@H](SCCC(=O)OC)c1cccc(Cl)c1 ZINC000043019522 183328393 /nfs/dbraw/zinc/32/83/93/183328393.db2.gz MUOMXCFOUCPYLA-TZMCWYRMSA-N 1 0 301.839 3.415 10 0 DGAERO [NH3+]C[C@@H](OC[C@@H]1CCCCO1)c1cccc(Br)c1 ZINC000043023064 183330716 /nfs/dbraw/zinc/33/07/16/183330716.db2.gz QUIPSSBJDKIMAJ-UONOGXRCSA-N 1 0 314.223 3.035 10 0 DGAERO Cc1cnc(S[C@H](C[NH3+])c2cccc(Br)c2)nc1 ZINC000043025314 183331247 /nfs/dbraw/zinc/33/12/47/183331247.db2.gz BUFNDLVHNAMZDK-GFCCVEGCSA-N 1 0 324.247 3.340 10 0 DGAERO CC[C@@H]([NH3+])[C@H](OCCCOC)c1cccc(Br)c1 ZINC000043023927 183331285 /nfs/dbraw/zinc/33/12/85/183331285.db2.gz CVCIJVIDDWDDSV-ZIAGYGMSSA-N 1 0 316.239 3.281 10 0 DGAERO CC[C@@H]([NH3+])[C@H](c1ccccc1C)n1cc(Br)cn1 ZINC000043037946 183331751 /nfs/dbraw/zinc/33/17/51/183331751.db2.gz ZWVQYPYCICTJOM-KGLIPLIRSA-N 1 0 308.223 3.281 10 0 DGAERO Cc1cc(C)n([C@@H](c2ccccc2Br)[C@@H](C)[NH3+])n1 ZINC000043093698 183336604 /nfs/dbraw/zinc/33/66/04/183336604.db2.gz JYVULIVAWLUMPM-BXUZGUMPSA-N 1 0 308.223 3.199 10 0 DGAERO C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccs1 ZINC000043289396 183351528 /nfs/dbraw/zinc/35/15/28/183351528.db2.gz IHRIKGKEGYOMSV-ZDUSSCGKSA-N 1 0 307.463 3.079 10 0 DGAERO CCOC(=O)CS[C@@H](c1ccccc1Cl)[C@H]([NH3+])CC ZINC000043089948 183335237 /nfs/dbraw/zinc/33/52/37/183335237.db2.gz OEYFRRSSBYEUKR-OCCSQVGLSA-N 1 0 301.839 3.415 10 0 DGAERO C[NH2+]C[C@@H]1CCCCN1Cc1sccc1Br ZINC000043675805 183379214 /nfs/dbraw/zinc/37/92/14/183379214.db2.gz RKRLUSZVTLWYJZ-JTQLQIEISA-N 1 0 303.269 3.085 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@@H](c2cc(F)cc(F)c2)C1 ZINC000044136162 183395846 /nfs/dbraw/zinc/39/58/46/183395846.db2.gz XDCABODMRMVTBG-BXUZGUMPSA-N 1 0 312.360 3.017 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000104411563 194005928 /nfs/dbraw/zinc/00/59/28/194005928.db2.gz RBGMZIRSVFXAHA-QGZVFWFLSA-N 1 0 313.445 3.009 10 0 DGAERO CC[NH+](CC)[C@H](C(=O)N[C@@H]1COc2ccccc21)c1ccccc1 ZINC000104873047 194049336 /nfs/dbraw/zinc/04/93/36/194049336.db2.gz NBLQOPHKQSJRSO-MJGOQNOKSA-N 1 0 324.424 3.319 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179102726 284734239 /nfs/dbraw/zinc/73/42/39/284734239.db2.gz YTSKDPLAEULBBL-LBPRGKRZSA-N 1 0 309.841 3.033 10 0 DGAERO CCCOc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000104994485 194062508 /nfs/dbraw/zinc/06/25/08/194062508.db2.gz PPUMHGAZOHPNMH-INIZCTEOSA-N 1 0 317.433 3.177 10 0 DGAERO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3cccc(F)c3)CC2)nn1 ZINC000105801723 194132636 /nfs/dbraw/zinc/13/26/36/194132636.db2.gz NCEJVBMYZRZMLK-HNNXBMFYSA-N 1 0 314.408 3.197 10 0 DGAERO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884367 194157127 /nfs/dbraw/zinc/15/71/27/194157127.db2.gz AONZPJLXLIMXMD-OLZOCXBDSA-N 1 0 306.360 3.030 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ccc([C@H]3C[C@H]3C)o1)CC2 ZINC000105908038 194165829 /nfs/dbraw/zinc/16/58/29/194165829.db2.gz DFRJSYZJSUCBKB-NFAWXSAZSA-N 1 0 314.433 3.223 10 0 DGAERO CCn1cnnc1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000105929517 194172746 /nfs/dbraw/zinc/17/27/46/194172746.db2.gz AJEIHVVDLFQPFM-UHFFFAOYSA-N 1 0 304.825 3.331 10 0 DGAERO Clc1ccccc1CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080227 194183667 /nfs/dbraw/zinc/18/36/67/194183667.db2.gz UFBYGDCYJLJKQO-UHFFFAOYSA-N 1 0 316.836 3.249 10 0 DGAERO COc1cccc([C@H]2C[C@@H]2C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000106732481 194248205 /nfs/dbraw/zinc/24/82/05/194248205.db2.gz RBENIVMTZVTDJU-MSOLQXFVSA-N 1 0 318.461 3.034 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000245439338 284809752 /nfs/dbraw/zinc/80/97/52/284809752.db2.gz ZLTIQJMXAFRKIZ-ZWOKBUDYSA-N 1 0 324.468 3.468 10 0 DGAERO Brc1ccc2c(ccn2CC[NH2+]C[C@H]2CCCO2)c1 ZINC000053527618 183905793 /nfs/dbraw/zinc/90/57/93/183905793.db2.gz BNOLHDNUBLNABM-CQSZACIVSA-N 1 0 323.234 3.172 10 0 DGAERO CC(C)[NH2+]Cc1cnn(Cc2ccc(Br)cc2)c1 ZINC000054719656 183949005 /nfs/dbraw/zinc/94/90/05/183949005.db2.gz YMQMEOYHEVIGOY-UHFFFAOYSA-N 1 0 308.223 3.192 10 0 DGAERO Cc1cc2nnc(-c3ccccc3NCC[NH3+])n2c2ccccc12 ZINC000057312194 184032921 /nfs/dbraw/zinc/03/29/21/184032921.db2.gz FVMMXICGWMILCH-UHFFFAOYSA-N 1 0 317.396 3.229 10 0 DGAERO CC(C)OCCC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000057942842 184063758 /nfs/dbraw/zinc/06/37/58/184063758.db2.gz HRGLBBSQEXCQPJ-UHFFFAOYSA-N 1 0 302.212 3.059 10 0 DGAERO C[C@@H]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1C ZINC000246358818 284888538 /nfs/dbraw/zinc/88/85/38/284888538.db2.gz XBYDIMWYOVKOPG-CWHQUEMWSA-N 1 0 309.498 3.231 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1Br ZINC000058425795 184116243 /nfs/dbraw/zinc/11/62/43/184116243.db2.gz NKUPLFQWXCRBTG-AWEZNQCLSA-N 1 0 319.202 3.396 10 0 DGAERO O=C(CCc1ccc(Cl)s1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604277 184177042 /nfs/dbraw/zinc/17/70/42/184177042.db2.gz OOMUSBBPALNYCK-UHFFFAOYSA-N 1 0 312.866 3.031 10 0 DGAERO [NH3+]C[C@@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000061610842 184178592 /nfs/dbraw/zinc/17/85/92/184178592.db2.gz XSAINRQSCDFWMP-CQSZACIVSA-N 1 0 319.202 3.130 10 0 DGAERO C[C@H](NC(=O)[C@H](C[NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000061612333 184178702 /nfs/dbraw/zinc/17/87/02/184178702.db2.gz DZYJYPCBVORCOK-BLLLJJGKSA-N 1 0 302.805 3.260 10 0 DGAERO C[C@H]([NH3+])c1ccc(Sc2ncccn2)c(Br)c1 ZINC000061700127 184183940 /nfs/dbraw/zinc/18/39/40/184183940.db2.gz XADADVZFWOBDTQ-QMMMGPOBSA-N 1 0 310.220 3.410 10 0 DGAERO NC(=[NH2+])c1cc(Sc2ccc(Br)cc2)ccn1 ZINC000061814716 184188400 /nfs/dbraw/zinc/18/84/00/184188400.db2.gz WFDDRKOQGACLOI-UHFFFAOYSA-N 1 0 308.204 3.279 10 0 DGAERO COC(=O)C[C@@H](C)C[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000061829949 184188894 /nfs/dbraw/zinc/18/88/94/184188894.db2.gz BYRWXQYNRDAULH-JOYOIKCWSA-N 1 0 300.196 3.038 10 0 DGAERO C[NH2+][C@@H](c1ccc(OC)cc1Br)[C@@H]1CCCOC1 ZINC000062234261 184224269 /nfs/dbraw/zinc/22/42/69/184224269.db2.gz ZGOUOWZNLBQVGD-QMTHXVAHSA-N 1 0 314.223 3.145 10 0 DGAERO C[NH2+][C@H](c1ccc(OC)cc1Br)[C@@H]1CCCOC1 ZINC000062234263 184224314 /nfs/dbraw/zinc/22/43/14/184224314.db2.gz ZGOUOWZNLBQVGD-YGRLFVJLSA-N 1 0 314.223 3.145 10 0 DGAERO C[NH2+][C@H](c1ccc(OC)cc1Br)[C@H]1CCCOC1 ZINC000062234267 184224319 /nfs/dbraw/zinc/22/43/19/184224319.db2.gz ZGOUOWZNLBQVGD-HZMBPMFUSA-N 1 0 314.223 3.145 10 0 DGAERO [NH3+][C@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000062837819 184255561 /nfs/dbraw/zinc/25/55/61/184255561.db2.gz VYHOQHOSHASILL-CQSZACIVSA-N 1 0 309.196 3.423 10 0 DGAERO CCC[C@]1(C(=O)Nc2cccc(Br)c2)CC[NH2+]C1 ZINC000062889214 184258542 /nfs/dbraw/zinc/25/85/42/184258542.db2.gz BCHFGFQCAYKTQY-AWEZNQCLSA-N 1 0 311.223 3.167 10 0 DGAERO Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000063022320 184267294 /nfs/dbraw/zinc/26/72/94/184267294.db2.gz OVTFKXGVGGVMDH-HOCLYGCPSA-N 1 0 306.837 3.253 10 0 DGAERO C[NH2+]Cc1ccc(Oc2ccc(Br)cc2C)nn1 ZINC000063062432 184268853 /nfs/dbraw/zinc/26/88/53/184268853.db2.gz FDPGVQKEGJCLLM-UHFFFAOYSA-N 1 0 308.179 3.059 10 0 DGAERO Brc1cccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000063084599 184269881 /nfs/dbraw/zinc/26/98/81/184269881.db2.gz OMXSSGPBRYEBPQ-SNVBAGLBSA-N 1 0 322.206 3.041 10 0 DGAERO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000065588921 184369491 /nfs/dbraw/zinc/36/94/91/184369491.db2.gz KWSMVYVEBKZFDY-MRXNPFEDSA-N 1 0 318.852 3.225 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)s1 ZINC000113592395 194604724 /nfs/dbraw/zinc/60/47/24/194604724.db2.gz DCCBFCCBGDWTTE-WHOFXGATSA-N 1 0 321.490 3.304 10 0 DGAERO CC[N@@H+]1CCC[C@H](N[C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248487380 285001491 /nfs/dbraw/zinc/00/14/91/285001491.db2.gz LTALOXJVFUALGP-PKOBYXMFSA-N 1 0 313.420 3.384 10 0 DGAERO O[C@H](C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)C(F)(F)F ZINC000248591849 285008656 /nfs/dbraw/zinc/00/86/56/285008656.db2.gz ZWIUQBYFSZTJTA-QLFBSQMISA-N 1 0 301.352 3.301 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000076988588 207580306 /nfs/dbraw/zinc/58/03/06/207580306.db2.gz BCXHMWPQSLHYDR-RBUKOAKNSA-N 1 0 312.457 3.185 10 0 DGAERO CO[C@H](C)c1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000118018990 194863070 /nfs/dbraw/zinc/86/30/70/194863070.db2.gz LJSNTRHCPODEKI-CQSZACIVSA-N 1 0 319.449 3.390 10 0 DGAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000248647981 285014007 /nfs/dbraw/zinc/01/40/07/285014007.db2.gz JAWRBHOHCYFBPH-RKVPGOIHSA-N 1 0 309.425 3.386 10 0 DGAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000248659897 285015812 /nfs/dbraw/zinc/01/58/12/285015812.db2.gz VLXZOIUOWNDJPU-ZIAGYGMSSA-N 1 0 314.495 3.184 10 0 DGAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248788354 285026042 /nfs/dbraw/zinc/02/60/42/285026042.db2.gz NCLNVVZENSPXLG-GHMZBOCLSA-N 1 0 308.388 3.200 10 0 DGAERO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248831758 285029269 /nfs/dbraw/zinc/02/92/69/285029269.db2.gz YXRICPZZBLOSOI-CHWSQXEVSA-N 1 0 320.399 3.298 10 0 DGAERO COc1ccc(Cl)c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000248840496 285030280 /nfs/dbraw/zinc/03/02/80/285030280.db2.gz LJCWZQAJKIVPLP-WMLDXEAASA-N 1 0 309.837 3.476 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000269652196 207725348 /nfs/dbraw/zinc/72/53/48/207725348.db2.gz ICSBAXDZLKJWHZ-SFHVURJKSA-N 1 0 304.409 3.125 10 0 DGAERO CCC1(CC)[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@H](C)[C@H]1OC ZINC000248822801 285028147 /nfs/dbraw/zinc/02/81/47/285028147.db2.gz JFHVBSIOVLQHPO-APHBMKBZSA-N 1 0 320.481 3.012 10 0 DGAERO CC[C@@]1(C)C[N@H+](C[C@@H](O)COc2ccccc2C(C)C)CCO1 ZINC000248888893 285036651 /nfs/dbraw/zinc/03/66/51/285036651.db2.gz FJYPYZBTPADVLU-APWZRJJASA-N 1 0 321.461 3.051 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1cnn(C)c1 ZINC000119674189 195015312 /nfs/dbraw/zinc/01/53/12/195015312.db2.gz OTYNXESXMOVFNM-LPHOPBHVSA-N 1 0 312.461 3.125 10 0 DGAERO CC[NH+](CC)CCN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000119865382 195051307 /nfs/dbraw/zinc/05/13/07/195051307.db2.gz LZFKAWBYCFDYTE-MRXNPFEDSA-N 1 0 306.450 3.183 10 0 DGAERO CCC[NH+](CCC)CCCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119870976 195052430 /nfs/dbraw/zinc/05/24/30/195052430.db2.gz FPUSEHWSLZVFMD-PKOBYXMFSA-N 1 0 324.509 3.042 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc3ccn(C)c32)C1 ZINC000249079762 285052980 /nfs/dbraw/zinc/05/29/80/285052980.db2.gz SJUZOFNFSHQTRM-XJKSGUPXSA-N 1 0 314.433 3.029 10 0 DGAERO CC1(C)COC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000313115087 252909769 /nfs/dbraw/zinc/90/97/69/252909769.db2.gz OBLJPNGVRXHETH-LBPRGKRZSA-N 1 0 302.187 3.103 10 0 DGAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000249140817 285059662 /nfs/dbraw/zinc/05/96/62/285059662.db2.gz XVMUYVLSTZKJPX-SZMVWBNQSA-N 1 0 313.445 3.159 10 0 DGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3csc4ccccc34)C[C@H]12 ZINC000333116833 252937274 /nfs/dbraw/zinc/93/72/74/252937274.db2.gz FYNSDNOMQAXEPM-WCFLWFBJSA-N 1 0 301.415 3.102 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000249207461 285063660 /nfs/dbraw/zinc/06/36/60/285063660.db2.gz WROOJCYTWZNSBD-XPYUAMARSA-N 1 0 300.446 3.131 10 0 DGAERO Cc1nc(C)c(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)s1 ZINC000333145256 252938011 /nfs/dbraw/zinc/93/80/11/252938011.db2.gz LRIXJHCROKATHR-ZDUSSCGKSA-N 1 0 322.478 3.002 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000249242977 285064526 /nfs/dbraw/zinc/06/45/26/285064526.db2.gz DHRRBGYNUWGTDO-BZZMCLGOSA-N 1 0 303.446 3.385 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000336789068 253000609 /nfs/dbraw/zinc/00/06/09/253000609.db2.gz RQYARKZRQUSDIM-ZWNOBZJWSA-N 1 0 316.214 3.229 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCn2cc(Br)cn2)CC(C)(C)C1 ZINC000336792077 253002168 /nfs/dbraw/zinc/00/21/68/253002168.db2.gz QJOMYQQVBRTTMY-DGCLKSJQSA-N 1 0 314.271 3.450 10 0 DGAERO C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000249557520 285080296 /nfs/dbraw/zinc/08/02/96/285080296.db2.gz KIVDIUROKVAYTH-VXGBXAGGSA-N 1 0 317.260 3.053 10 0 DGAERO Cc1ccc(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c(Cl)c1 ZINC000249536014 285079742 /nfs/dbraw/zinc/07/97/42/285079742.db2.gz CMDAOOBBPRNUBK-CXAGYDPISA-N 1 0 324.852 3.070 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000336896228 253018990 /nfs/dbraw/zinc/01/89/90/253018990.db2.gz NTFQIHWDVOSWCC-GFCCVEGCSA-N 1 0 302.187 3.245 10 0 DGAERO CCc1nc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cs1 ZINC000336904266 253020481 /nfs/dbraw/zinc/02/04/81/253020481.db2.gz VRVFRGFTVVOICV-GFCCVEGCSA-N 1 0 312.504 3.240 10 0 DGAERO COC[C@H](C)C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000249856738 285090546 /nfs/dbraw/zinc/09/05/46/285090546.db2.gz QHFQDULIAKELDH-IUODEOHRSA-N 1 0 317.351 3.361 10 0 DGAERO COC[C@@H](C)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249768946 285088004 /nfs/dbraw/zinc/08/80/04/285088004.db2.gz JCODTVMLNSAWOT-IMBTUZDBSA-N 1 0 304.478 3.015 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)CC[C@@H]1C ZINC000252061616 285101885 /nfs/dbraw/zinc/10/18/85/285101885.db2.gz ZZICIEUDMQYSFV-SWLSCSKDSA-N 1 0 317.351 3.485 10 0 DGAERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(F)c1 ZINC000159175127 197333352 /nfs/dbraw/zinc/33/33/52/197333352.db2.gz FORKHFOFLMRKIS-KDOFPFPSSA-N 1 0 314.404 3.176 10 0 DGAERO CCN(CCc1nccs1)CC(=O)Nc1ccc(Cl)cc1 ZINC000159163565 197332495 /nfs/dbraw/zinc/33/24/95/197332495.db2.gz UZRFXCIAMFWBTM-UHFFFAOYSA-N 1 0 323.849 3.300 10 0 DGAERO Cc1cc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)ccc1F ZINC000120207507 195119343 /nfs/dbraw/zinc/11/93/43/195119343.db2.gz TUYUPYWXDFDLQM-INIZCTEOSA-N 1 0 314.408 3.025 10 0 DGAERO Cc1ccsc1[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000159103521 197327576 /nfs/dbraw/zinc/32/75/76/197327576.db2.gz REIDMTIATZUXJP-GOEBONIOSA-N 1 0 316.470 3.407 10 0 DGAERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1F ZINC000159032770 197320895 /nfs/dbraw/zinc/32/08/95/197320895.db2.gz YPBUAEWREDZNBN-KDOFPFPSSA-N 1 0 314.404 3.176 10 0 DGAERO C[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000255229485 285139372 /nfs/dbraw/zinc/13/93/72/285139372.db2.gz ATOZEDOGZUCOBM-LMVHVUTASA-N 1 0 306.425 3.322 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)cn1 ZINC000158415494 197269738 /nfs/dbraw/zinc/26/97/38/197269738.db2.gz HNWQEINOMUSNRJ-HNNXBMFYSA-N 1 0 303.837 3.496 10 0 DGAERO c1cn2c(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)c(C3CC3)nc2s1 ZINC000342914297 254073567 /nfs/dbraw/zinc/07/35/67/254073567.db2.gz OPSWVHKNRAFWCV-ZIAGYGMSSA-N 1 0 317.458 3.274 10 0 DGAERO c1c(C[NH+]2CCC3(CCOCC3)CC2)[nH]nc1-c1ccccc1 ZINC000342837194 254062494 /nfs/dbraw/zinc/06/24/94/254062494.db2.gz LQOZNDKBUAOEIM-UHFFFAOYSA-N 1 0 311.429 3.469 10 0 DGAERO c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCCOC3)cs1 ZINC000342844106 254062962 /nfs/dbraw/zinc/06/29/62/254062962.db2.gz YCZVFQVFTTXZSK-INIZCTEOSA-N 1 0 303.431 3.141 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(Cl)ccc1F ZINC000157295052 197177398 /nfs/dbraw/zinc/17/73/98/197177398.db2.gz HVJUEZIMFRMHFW-ZYHUDNBSSA-N 1 0 311.788 3.180 10 0 DGAERO c1ccc(OCc2ccncc2)c(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000344279182 254249706 /nfs/dbraw/zinc/24/97/06/254249706.db2.gz VONIEUHHSSMVCB-QGZVFWFLSA-N 1 0 312.413 3.177 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344647126 254293007 /nfs/dbraw/zinc/29/30/07/254293007.db2.gz RMILDGXLZUZTHZ-GOEBONIOSA-N 1 0 310.482 3.009 10 0 DGAERO c1c(C[NH2+][C@@H]2CSc3ccccc32)[nH]nc1-c1cccnc1 ZINC000344456190 254272438 /nfs/dbraw/zinc/27/24/38/254272438.db2.gz HEUODYKQNUGRPT-MRXNPFEDSA-N 1 0 308.410 3.408 10 0 DGAERO CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262532254 285195423 /nfs/dbraw/zinc/19/54/23/285195423.db2.gz NZTBAPKLANPYDA-TVFCKZIOSA-N 1 0 300.446 3.045 10 0 DGAERO c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269434579 285205182 /nfs/dbraw/zinc/20/51/82/285205182.db2.gz QLWSYWMFWFCAAD-KBXCAEBGSA-N 1 0 308.429 3.083 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)cc(Cl)c2)[C@H](C)C1 ZINC000156313999 197103875 /nfs/dbraw/zinc/10/38/75/197103875.db2.gz GGCDWNBGNRLJBR-CJNGLKHVSA-N 1 0 308.853 3.451 10 0 DGAERO OCC1([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000120348944 195149029 /nfs/dbraw/zinc/14/90/29/195149029.db2.gz DHBKKVWGCGZACJ-UHFFFAOYSA-N 1 0 322.202 3.324 10 0 DGAERO C[C@H](CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C)c1ccc(F)cc1F ZINC000155379515 197048717 /nfs/dbraw/zinc/04/87/17/197048717.db2.gz GPIKWGGFMBOFAT-JHJVBQTASA-N 1 0 310.388 3.009 10 0 DGAERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000155155429 197027029 /nfs/dbraw/zinc/02/70/29/197027029.db2.gz LZFBFKGAITYXIJ-BXWFABGCSA-N 1 0 312.461 3.252 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](OC)C(C)(C)C)cc1NC(C)=O ZINC000154969993 197009224 /nfs/dbraw/zinc/00/92/24/197009224.db2.gz ACKOUJGMGCZAKU-SJKOYZFVSA-N 1 0 322.449 3.365 10 0 DGAERO COC[C@H]1CN(c2c(C)c[nH+]c3c(C)cccc32)C[C@H](C)O1 ZINC000302564316 533173321 /nfs/dbraw/zinc/17/33/21/533173321.db2.gz OBNDCWZIVNFUEY-LSDHHAIUSA-N 1 0 300.402 3.092 10 0 DGAERO COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1Br ZINC000294698800 224177291 /nfs/dbraw/zinc/17/72/91/224177291.db2.gz AROLFSHQJUZMND-OPQQBVKSSA-N 1 0 314.223 3.113 10 0 DGAERO OCCC1(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000157486101 285251539 /nfs/dbraw/zinc/25/15/39/285251539.db2.gz VOILNJGZLROVSH-CQSZACIVSA-N 1 0 310.235 3.189 10 0 DGAERO CC[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000153816505 196911378 /nfs/dbraw/zinc/91/13/78/196911378.db2.gz SLDKGYLDPDYRAE-MRXNPFEDSA-N 1 0 315.461 3.224 10 0 DGAERO CCOc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000120401382 195158784 /nfs/dbraw/zinc/15/87/84/195158784.db2.gz NHVQIPNEMHYRAX-ZBFHGGJFSA-N 1 0 319.449 3.279 10 0 DGAERO Cc1ncc(CN2CCN(Cc3cccc(C)c3C)CC2)s1 ZINC000120438918 195166658 /nfs/dbraw/zinc/16/66/58/195166658.db2.gz SGLHZJIFKXDHGM-UHFFFAOYSA-N 1 0 315.486 3.386 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1F ZINC000120554740 195188432 /nfs/dbraw/zinc/18/84/32/195188432.db2.gz BMHCDJQQODGXOX-NEPJUHHUSA-N 1 0 319.424 3.466 10 0 DGAERO Cc1ccc(C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)o1 ZINC000120603595 195199776 /nfs/dbraw/zinc/19/97/76/195199776.db2.gz RHMVXIUGWJSFBK-UHFFFAOYSA-N 1 0 312.413 3.230 10 0 DGAERO Cc1ccc2[nH+]ccc(N3CCN(C(=O)C(C)(C)C)CC3)c2c1 ZINC000302165804 285277213 /nfs/dbraw/zinc/27/72/13/285277213.db2.gz RDCCINFBNVSVMQ-UHFFFAOYSA-N 1 0 311.429 3.238 10 0 DGAERO Cc1cccc(C2([NH2+]C[C@@H](C)CS(C)(=O)=O)CCCC2)c1 ZINC000163482113 292868441 /nfs/dbraw/zinc/86/84/41/292868441.db2.gz QZLREVFQNFKQIW-OAHLLOKOSA-N 1 0 309.475 3.035 10 0 DGAERO CCc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)o1 ZINC000120907160 195261549 /nfs/dbraw/zinc/26/15/49/195261549.db2.gz WGGSKBMERJBMRH-UHFFFAOYSA-N 1 0 310.401 3.264 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc2c1COC2 ZINC000341395743 285323052 /nfs/dbraw/zinc/32/30/52/285323052.db2.gz GEUNJRVIKACUSK-HHXXYDBFSA-N 1 0 301.430 3.402 10 0 DGAERO c1cc(COC[C@]23CCC[C@H]2C[N@H+](Cc2ccncc2)C3)ccn1 ZINC000247834695 257116557 /nfs/dbraw/zinc/11/65/57/257116557.db2.gz ISDRZADWTJMRPR-VQTJNVASSA-N 1 0 323.440 3.296 10 0 DGAERO FC(F)(F)OCCC[NH2+]Cc1ccc(Br)cc1 ZINC000096308264 257133022 /nfs/dbraw/zinc/13/30/22/257133022.db2.gz ARHBKKOPEHPYGX-UHFFFAOYSA-N 1 0 312.129 3.465 10 0 DGAERO Cc1cc(C(=O)NCc2cccnc2N(C)C)ccc1Cl ZINC000121022582 195281681 /nfs/dbraw/zinc/28/16/81/195281681.db2.gz GMNNSRFOKOISAT-UHFFFAOYSA-N 1 0 303.793 3.039 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N2[C@H](C)CCC[C@H]2C)cc1F ZINC000121566488 195308139 /nfs/dbraw/zinc/30/81/39/195308139.db2.gz ZDSFKQQDVZFQTO-MCIONIFRSA-N 1 0 322.424 3.274 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000121724284 195335084 /nfs/dbraw/zinc/33/50/84/195335084.db2.gz YRMNJRJKRZRSKY-GLJUWKHASA-N 1 0 303.450 3.024 10 0 DGAERO C[C@@]1(C[NH2+]Cc2cncs2)CCCN1Cc1ccccc1 ZINC000121793906 195348052 /nfs/dbraw/zinc/34/80/52/195348052.db2.gz QDULVUIYKJCAIN-KRWDZBQOSA-N 1 0 301.459 3.287 10 0 DGAERO Cc1noc(C)c1C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000121811153 195352972 /nfs/dbraw/zinc/35/29/72/195352972.db2.gz BLWOJHWPBYVSJF-LJQANCHMSA-N 1 0 313.445 3.436 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1cccc(CO)c1 ZINC000121838721 195359114 /nfs/dbraw/zinc/35/91/14/195359114.db2.gz CZIBUYHLJXHGCM-BEFAXECRSA-N 1 0 324.424 3.025 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1cccc(CO)c1 ZINC000121838353 195359276 /nfs/dbraw/zinc/35/92/76/195359276.db2.gz CZIBUYHLJXHGCM-DNVCBOLYSA-N 1 0 324.424 3.025 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H](C)c1cccs1 ZINC000121630056 195319158 /nfs/dbraw/zinc/31/91/58/195319158.db2.gz VETKBBFGZKQANN-UONOGXRCSA-N 1 0 311.495 3.427 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(F)c(C)c3)C2)n1 ZINC000121955217 195380716 /nfs/dbraw/zinc/38/07/16/195380716.db2.gz BZFQMHWLCBLFIS-QGZVFWFLSA-N 1 0 316.424 3.255 10 0 DGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(C)c(C)c3)C2)n1 ZINC000121991764 195386944 /nfs/dbraw/zinc/38/69/44/195386944.db2.gz MSZFQMWHXGRCPA-IBGZPJMESA-N 1 0 312.461 3.424 10 0 DGAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000181511562 533259484 /nfs/dbraw/zinc/25/94/84/533259484.db2.gz JDEKPWHABOOQKK-ILXRZTDVSA-N 1 0 312.413 3.309 10 0 DGAERO C(=C/c1ccccc1)\CC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000450471862 533350705 /nfs/dbraw/zinc/35/07/05/533350705.db2.gz WNLHIPGPKYKOIU-AMGQUURNSA-N 1 0 301.430 3.360 10 0 DGAERO COc1cccc(CC[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000158974024 533467146 /nfs/dbraw/zinc/46/71/46/533467146.db2.gz LWJUBMBKXNOURB-AWEZNQCLSA-N 1 0 313.397 3.360 10 0 DGAERO C[C@@H](CC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)[S@](C)=O ZINC000160159791 533608176 /nfs/dbraw/zinc/60/81/76/533608176.db2.gz CBIJYZKUMCAFKP-GWNMQOMSSA-N 1 0 311.344 3.091 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)CN1CCCC1=O)CCCO2 ZINC000178494315 292010499 /nfs/dbraw/zinc/01/04/99/292010499.db2.gz VHXLUDIVGLAXFD-NVXWUHKLSA-N 1 0 316.445 3.118 10 0 DGAERO Cc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c(C(C)C)n1 ZINC000450578955 292051088 /nfs/dbraw/zinc/05/10/88/292051088.db2.gz KVKMEJGQNLKAIL-UHFFFAOYSA-N 1 0 315.461 3.214 10 0 DGAERO Cc1ccc(C(C)(C)CC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261898920 292080710 /nfs/dbraw/zinc/08/07/10/292080710.db2.gz WBDVRTGNGHCLTN-DOTOQJQBSA-N 1 0 302.462 3.249 10 0 DGAERO Cc1ccccc1C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC000006780146 400095156 /nfs/dbraw/zinc/09/51/56/400095156.db2.gz BSEXYDVYYYYQEI-JKSUJKDBSA-N 1 0 304.434 3.122 10 0 DGAERO Cc1ccc(C[C@]2(O)CN(c3ccccc3)c3cccc[n+]32)cc1 ZINC000000389459 400079421 /nfs/dbraw/zinc/07/94/21/400079421.db2.gz LBVKURNLLMCGBK-NRFANRHFSA-N 1 0 317.412 3.322 10 0 DGAERO COc1cc2c(cc1OC)[C@@H](Cc1ccc(F)cc1)[NH2+]CC2 ZINC000002008465 400081333 /nfs/dbraw/zinc/08/13/33/400081333.db2.gz IGWXUFJDUPHOHK-MRXNPFEDSA-N 1 0 301.361 3.272 10 0 DGAERO COc1ccc([C@](O)(c2ccc(C)cc2)[C@H](C)C[NH+](C)C)cc1 ZINC000003642378 400084008 /nfs/dbraw/zinc/08/40/08/400084008.db2.gz WLPOSYYUWKQTOG-OXQOHEQNSA-N 1 0 313.441 3.437 10 0 DGAERO CCOC(=O)c1ccccc1[C@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616595410 400179834 /nfs/dbraw/zinc/17/98/34/400179834.db2.gz KYICFUBUKIEZEV-MRXNPFEDSA-N 1 0 305.418 3.425 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3nccc4ccccc43)C2)cc1 ZINC000616604060 400182829 /nfs/dbraw/zinc/18/28/29/400182829.db2.gz UJXYJFNDKMQHSG-IBGZPJMESA-N 1 0 303.409 3.381 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@H]2c2cncc3ccccc32)cc1 ZINC000616603834 400183138 /nfs/dbraw/zinc/18/31/38/400183138.db2.gz GYZSAWNVNDGOBT-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCN2CC[NH3+])cc1 ZINC000616606992 400183606 /nfs/dbraw/zinc/18/36/06/400183606.db2.gz BFHPGBATOZBSGB-HNNXBMFYSA-N 1 0 305.422 3.129 10 0 DGAERO CSc1ccc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nn1 ZINC000091476508 400122621 /nfs/dbraw/zinc/12/26/21/400122621.db2.gz MLNZDIJRIKRKPV-OAHLLOKOSA-N 1 0 320.506 3.147 10 0 DGAERO CC[C@](C)(C[NH3+])c1ncc(Br)cc1Br ZINC000306211267 400124135 /nfs/dbraw/zinc/12/41/35/400124135.db2.gz UQWDAVUXDTUCPY-SNVBAGLBSA-N 1 0 322.044 3.233 10 0 DGAERO C[C@H]1CS[C@H](c2cccc(I)c2)[NH2+]1 ZINC000306651488 400126065 /nfs/dbraw/zinc/12/60/65/400126065.db2.gz SLYPUXZZJUPEAC-OIBJUYFYSA-N 1 0 305.184 3.015 10 0 DGAERO Cc1nc([C@]2(N)CC[N@@H+](Cc3ccccc3)[C@@H]2C)sc1C ZINC000306843295 400127508 /nfs/dbraw/zinc/12/75/08/400127508.db2.gz GEMBUVACVOYISG-PBHICJAKSA-N 1 0 301.459 3.208 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Br)cc1Cl)C(C)(C)O ZINC000309788859 400131615 /nfs/dbraw/zinc/13/16/15/400131615.db2.gz OSNHCAJTTUKYGB-MRVPVSSYSA-N 1 0 306.631 3.352 10 0 DGAERO Cc1cc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c(C)[nH]1 ZINC000585716861 400133053 /nfs/dbraw/zinc/13/30/53/400133053.db2.gz MYHPPIUXIRRJPL-INIZCTEOSA-N 1 0 315.417 3.100 10 0 DGAERO COc1cc2c(cc1OC)CC([NH+](CC1CC1)CC1CC1)C2 ZINC000013471391 400151700 /nfs/dbraw/zinc/15/17/00/400151700.db2.gz DCIBMFFSEUHHNB-UHFFFAOYSA-N 1 0 301.430 3.293 10 0 DGAERO c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000092073941 400153846 /nfs/dbraw/zinc/15/38/46/400153846.db2.gz IUHQAIXHPSKSSZ-OAHLLOKOSA-N 1 0 307.401 3.179 10 0 DGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2ccncc2)C1 ZINC000616629650 400187471 /nfs/dbraw/zinc/18/74/71/400187471.db2.gz OZBQAASYVTXGQT-MRXNPFEDSA-N 1 0 319.449 3.176 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)CCC2CCCCC2)C1 ZINC000379264055 400255746 /nfs/dbraw/zinc/25/57/46/400255746.db2.gz IXMNODRATLNFJW-CHWSQXEVSA-N 1 0 306.372 3.228 10 0 DGAERO CCC[NH+]1CCC(NC(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000588924417 400245489 /nfs/dbraw/zinc/24/54/89/400245489.db2.gz QGPYCBGLEDPMGC-UHFFFAOYSA-N 1 0 319.836 3.426 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3cccc4cccnc43)C2)cc1 ZINC000616632951 400189630 /nfs/dbraw/zinc/18/96/30/400189630.db2.gz FUIJIAFNYSBBCH-LJQANCHMSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2COCCC[N@@H+]2C)c1 ZINC000616648208 400192435 /nfs/dbraw/zinc/19/24/35/400192435.db2.gz BCSKTDBJIFFPSW-INIZCTEOSA-N 1 0 320.433 3.451 10 0 DGAERO C[N@@H+]1CCOC[C@H](c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000616657299 400193772 /nfs/dbraw/zinc/19/37/72/400193772.db2.gz DHGVWLJNONKWFU-CQSZACIVSA-N 1 0 306.406 3.079 10 0 DGAERO C[N@@H+]1CCOCC[C@@H]1c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000616656342 400194104 /nfs/dbraw/zinc/19/41/04/400194104.db2.gz SOGUSBSTUXPMBM-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO c1ccc(C[N@@H+]2CCOC[C@@H](c3cccc4ccnnc43)C2)cc1 ZINC000616660841 400194969 /nfs/dbraw/zinc/19/49/69/400194969.db2.gz PZTJBQXHVGKCCN-SFHVURJKSA-N 1 0 319.408 3.246 10 0 DGAERO c1ccc(C[N@@H+]2CCOC[C@H](c3cc4ccccc4nn3)C2)cc1 ZINC000616661979 400195754 /nfs/dbraw/zinc/19/57/54/400195754.db2.gz CISLCMQOLWWOJZ-GOSISDBHSA-N 1 0 319.408 3.246 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCOCC[NH2+]1 ZINC000616658889 400195775 /nfs/dbraw/zinc/19/57/75/400195775.db2.gz MGCCFWLYWDQPOO-CQSZACIVSA-N 1 0 306.406 3.109 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccc2ccncc2c1 ZINC000616683099 400203089 /nfs/dbraw/zinc/20/30/89/400203089.db2.gz OMPKTFCROBTBKI-LJQANCHMSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccc2cnccc2c1 ZINC000616693317 400206317 /nfs/dbraw/zinc/20/63/17/400206317.db2.gz WSWSRWMFOGBFQP-FQEVSTJZSA-N 1 0 303.409 3.141 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616998424 400265485 /nfs/dbraw/zinc/26/54/85/400265485.db2.gz NTIUCWOEKGILMM-GDBMZVCRSA-N 1 0 310.482 3.009 10 0 DGAERO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccsc1Br ZINC000393604651 400279977 /nfs/dbraw/zinc/27/99/77/400279977.db2.gz XHEQIYSVMLCDNC-VIFPVBQESA-N 1 0 306.269 3.397 10 0 DGAERO CC[N@@H+](Cc1ccccc1)C[C@H](O)CN(C)Cc1ccccc1 ZINC000028711014 400291329 /nfs/dbraw/zinc/29/13/29/400291329.db2.gz QZKITPPOOBAOOW-HXUWFJFHSA-N 1 0 312.457 3.001 10 0 DGAERO CC(C)c1ccc([C@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409423972 400301117 /nfs/dbraw/zinc/30/11/17/400301117.db2.gz WLFCDRDGDKHTRR-HZPDHXFCSA-N 1 0 304.434 3.390 10 0 DGAERO Cc1ccc(C)c(CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000102718816 400303075 /nfs/dbraw/zinc/30/30/75/400303075.db2.gz OWSJJENBYUVQOA-IBGZPJMESA-N 1 0 310.441 3.265 10 0 DGAERO C/C=C/C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000384758333 400260689 /nfs/dbraw/zinc/26/06/89/400260689.db2.gz ADUATCYLPFUYJI-NSCUHMNNSA-N 1 0 312.207 3.276 10 0 DGAERO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1cccc2c1CCC2 ZINC000033856422 400383809 /nfs/dbraw/zinc/38/38/09/400383809.db2.gz VJVMHTACMVGLOK-SFHVURJKSA-N 1 0 311.425 3.047 10 0 DGAERO C[NH+]1CCC(C(=O)c2ncccc2CCc2ccccc2)CC1 ZINC000034405298 400385076 /nfs/dbraw/zinc/38/50/76/400385076.db2.gz VITZYSGHNVKSQW-UHFFFAOYSA-N 1 0 308.425 3.391 10 0 DGAERO O=C(Nc1cccc(Cl)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917465 400394680 /nfs/dbraw/zinc/39/46/80/400394680.db2.gz DSOJDXWRLCODAM-WFASDCNBSA-N 1 0 307.825 3.336 10 0 DGAERO CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000114474381 400386929 /nfs/dbraw/zinc/38/69/29/400386929.db2.gz FVGQZEUOYZZHPT-OAHLLOKOSA-N 1 0 320.477 3.157 10 0 DGAERO CCOc1ccc(NC(=O)C[NH2+][C@H](C)C(C)(C)C)cc1OCC ZINC000114473697 400387202 /nfs/dbraw/zinc/38/72/02/400387202.db2.gz AJDXTILOTWNMSF-CYBMUJFWSA-N 1 0 322.449 3.447 10 0 DGAERO COC(=O)c1cccc([C@@H](SCC[NH3+])c2ccccc2)c1 ZINC000036430796 400390519 /nfs/dbraw/zinc/39/05/19/400390519.db2.gz RYSQTPOESSUTHP-INIZCTEOSA-N 1 0 301.411 3.255 10 0 DGAERO CCC(=O)N(c1ccc2cc(OC)ccc2c1)C1CC[NH2+]CC1 ZINC000114852952 400390649 /nfs/dbraw/zinc/39/06/49/400390649.db2.gz KOMNMNGUWFYBPP-UHFFFAOYSA-N 1 0 312.413 3.343 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000037166164 400393796 /nfs/dbraw/zinc/39/37/96/400393796.db2.gz NMBUTHAPWJSXKN-UKRRQHHQSA-N 1 0 306.406 3.342 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C(C)(C)C ZINC000112432787 400373474 /nfs/dbraw/zinc/37/34/74/400373474.db2.gz KJHXGGGVAIBEIG-DOMZBBRYSA-N 1 0 309.429 3.162 10 0 DGAERO O=c1c(C[NH2+]Cc2ccccc2)cc2cccc3c2n1CCC3 ZINC000039287244 400397717 /nfs/dbraw/zinc/39/77/17/400397717.db2.gz FUSVYAYAUSAEIB-UHFFFAOYSA-N 1 0 304.393 3.238 10 0 DGAERO COC1([C@H](C)[NH2+]C[C@H](c2ccccc2)C2CC2)CCOCC1 ZINC000453229660 292147366 /nfs/dbraw/zinc/14/73/66/292147366.db2.gz DYCUUADAWUCBCR-MAUKXSAKSA-N 1 0 303.446 3.354 10 0 DGAERO OC[C@@H]([NH2+]Cc1ccccc1)c1ccc(Br)s1 ZINC000041702962 400412131 /nfs/dbraw/zinc/41/21/31/400412131.db2.gz JEAHFUSBRNYNSR-LLVKDONJSA-N 1 0 312.232 3.334 10 0 DGAERO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccc(Cl)cc1 ZINC000117720429 400421344 /nfs/dbraw/zinc/42/13/44/400421344.db2.gz KGPOKGIHPOHHOL-INIZCTEOSA-N 1 0 316.788 3.253 10 0 DGAERO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000117762222 400422226 /nfs/dbraw/zinc/42/22/26/400422226.db2.gz GVDOIXJRUVUTKL-OAHLLOKOSA-N 1 0 316.445 3.080 10 0 DGAERO COC(=O)[C@H](C1CC1)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611661766 400435144 /nfs/dbraw/zinc/43/51/44/400435144.db2.gz ZCEUPOWSHWYZJR-OKZBNKHCSA-N 1 0 317.429 3.038 10 0 DGAERO CCOCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000073619586 400459915 /nfs/dbraw/zinc/45/99/15/400459915.db2.gz LHDDLDBHLYANAZ-CVEARBPZSA-N 1 0 320.477 3.392 10 0 DGAERO CC[NH+]1CCC(N(C)C(=O)CSc2ccccc2C)CC1 ZINC000043064041 400451622 /nfs/dbraw/zinc/45/16/22/400451622.db2.gz QCXYEBZMKRLHIU-UHFFFAOYSA-N 1 0 306.475 3.030 10 0 DGAERO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000043291235 400461965 /nfs/dbraw/zinc/46/19/65/400461965.db2.gz VJGDGDBGAKSANL-KBPBESRZSA-N 1 0 309.479 3.373 10 0 DGAERO C[C@H]1C[C@H]([NH3+])CCN1CCOc1c(Cl)cccc1Cl ZINC000124499978 400476109 /nfs/dbraw/zinc/47/61/09/400476109.db2.gz KTNQZULVPOSALG-WDEREUQCSA-N 1 0 303.233 3.184 10 0 DGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCc1cccc2ccccc21 ZINC000124504839 400477307 /nfs/dbraw/zinc/47/73/07/400477307.db2.gz IUDBLZIGIYLYCD-CRAIPNDOSA-N 1 0 310.441 3.358 10 0 DGAERO CC(C)(CNC(=O)C1(c2ccc(F)cc2)CC1)[NH+]1CCCCC1 ZINC000044371382 400491410 /nfs/dbraw/zinc/49/14/10/400491410.db2.gz WWLXJNGJZFAZKR-UHFFFAOYSA-N 1 0 318.436 3.238 10 0 DGAERO Fc1ccc(Br)c(OCCC2CC[NH2+]CC2)c1 ZINC000134495182 400578391 /nfs/dbraw/zinc/57/83/91/400578391.db2.gz OYTNXJWKDUVLKN-UHFFFAOYSA-N 1 0 302.187 3.357 10 0 DGAERO CC[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)c1nccs1 ZINC000130490716 400538374 /nfs/dbraw/zinc/53/83/74/400538374.db2.gz LZPXRZQUKMWKDB-GJZGRUSLSA-N 1 0 317.458 3.403 10 0 DGAERO [NH3+]CCCN(Cc1ccc(Br)cc1)c1ccccn1 ZINC000140466545 400618928 /nfs/dbraw/zinc/61/89/28/400618928.db2.gz NGGBFUQFUDGHPU-UHFFFAOYSA-N 1 0 320.234 3.200 10 0 DGAERO [NH3+][C@H]1CCCc2c3cc(I)ccc3[nH]c21 ZINC000145896215 400647481 /nfs/dbraw/zinc/64/74/81/400647481.db2.gz NAOUQJDQTBBRNY-JTQLQIEISA-N 1 0 312.154 3.109 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618664432 400659322 /nfs/dbraw/zinc/65/93/22/400659322.db2.gz SRNANAXCGYFIMA-DOTOQJQBSA-N 1 0 322.493 3.295 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(C)cc2F)CC1 ZINC000157648307 400718868 /nfs/dbraw/zinc/71/88/68/400718868.db2.gz GSNJQGLYLZYTEE-UHFFFAOYSA-N 1 0 307.413 3.378 10 0 DGAERO CN(C)C(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052658952 400742711 /nfs/dbraw/zinc/74/27/11/400742711.db2.gz ITVZOONUXFLUOF-UHFFFAOYSA-N 1 0 314.351 3.006 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000050945068 400691995 /nfs/dbraw/zinc/69/19/95/400691995.db2.gz RMDKNNRTHYHVAT-OLZOCXBDSA-N 1 0 306.372 3.004 10 0 DGAERO C[NH2+][C@H](c1csc(I)c1)C1CCC1 ZINC000157312635 400715917 /nfs/dbraw/zinc/71/59/17/400715917.db2.gz FCFWKDVZBRFEID-JTQLQIEISA-N 1 0 307.200 3.413 10 0 DGAERO C[NH+](C)CCCOc1cccc(NC(=O)Cc2ccccc2)c1 ZINC000171910230 400809880 /nfs/dbraw/zinc/80/98/80/400809880.db2.gz AOHPBIPOFQLNIU-UHFFFAOYSA-N 1 0 312.413 3.198 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000170826294 400776177 /nfs/dbraw/zinc/77/61/77/400776177.db2.gz FRGJFKAHJRQDFJ-JKSUJKDBSA-N 1 0 321.852 3.137 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000170832211 400776819 /nfs/dbraw/zinc/77/68/19/400776819.db2.gz MCLVDDPNLGCEFJ-ZWKOTPCHSA-N 1 0 315.461 3.263 10 0 DGAERO CC(C)c1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000170857805 400777972 /nfs/dbraw/zinc/77/79/72/400777972.db2.gz KSKNSMXHBJRGKD-AWEZNQCLSA-N 1 0 311.429 3.134 10 0 DGAERO C[C@H](CNC(=O)C[C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000170978389 400779492 /nfs/dbraw/zinc/77/94/92/400779492.db2.gz NPDMIUKJJCLHBM-SJLPKXTDSA-N 1 0 314.473 3.345 10 0 DGAERO CCCC[N@@H+](Cc1ccccc1Cl)C[C@@H](O)Cn1cccn1 ZINC000171303490 400794936 /nfs/dbraw/zinc/79/49/36/400794936.db2.gz WXYZRVCBWRDQMG-MRXNPFEDSA-N 1 0 321.852 3.200 10 0 DGAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000079511224 400871840 /nfs/dbraw/zinc/87/18/40/400871840.db2.gz WASOYFYYSSABLG-LKFCYVNXSA-N 1 0 301.217 3.313 10 0 DGAERO CC(C)[C@@H](CNC(=O)NCCCC1CC1)[NH+]1CCC(C)CC1 ZINC000605598421 400878681 /nfs/dbraw/zinc/87/86/81/400878681.db2.gz MQSOCJXLLXFFTC-QGZVFWFLSA-N 1 0 309.498 3.232 10 0 DGAERO CCOC(=O)[C@](C)(C[NH2+][C@@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000619430716 400847211 /nfs/dbraw/zinc/84/72/11/400847211.db2.gz SRXQDVYXABCZMJ-ZHALLVOQSA-N 1 0 319.445 3.055 10 0 DGAERO C[C@@H](CCc1ccccc1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000174179704 400853420 /nfs/dbraw/zinc/85/34/20/400853420.db2.gz BGIATNVRNICHKZ-AZUAARDMSA-N 1 0 316.489 3.194 10 0 DGAERO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2C[C@@H]2C)cc1 ZINC000605339644 400854130 /nfs/dbraw/zinc/85/41/30/400854130.db2.gz CHTSFTMDNHMGCD-LSDHHAIUSA-N 1 0 319.449 3.185 10 0 DGAERO Cc1cccc2[nH]cc(CC[NH2+]Cc3cn4ccccc4n3)c21 ZINC000174346067 400855491 /nfs/dbraw/zinc/85/54/91/400855491.db2.gz UPYMKBCLOQWWAB-UHFFFAOYSA-N 1 0 304.397 3.456 10 0 DGAERO Cc1ccc(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000080327969 400941581 /nfs/dbraw/zinc/94/15/81/400941581.db2.gz YMGRDDCZOJGDAN-UHFFFAOYSA-N 1 0 309.413 3.167 10 0 DGAERO C[NH+](C)[C@H]1Cc2cccc3c2[C@@H](CN3C(=O)c2ccccc2)C1 ZINC000216317172 400948170 /nfs/dbraw/zinc/94/81/70/400948170.db2.gz CEWGNNJWNATFNT-SJORKVTESA-N 1 0 306.409 3.307 10 0 DGAERO CCN(C)/C=[NH+]/c1ccc(I)cc1C ZINC000215782650 400948869 /nfs/dbraw/zinc/94/88/69/400948869.db2.gz OIRUPUNSDJKDQX-MDWZMJQESA-N 1 0 302.159 3.211 10 0 DGAERO Cc1ccc([C@@H](CNc2cc[nH+]cc2C)N2CCOCC2)s1 ZINC000191980751 400914126 /nfs/dbraw/zinc/91/41/26/400914126.db2.gz WNDQHTHYNLMZDN-MRXNPFEDSA-N 1 0 317.458 3.245 10 0 DGAERO CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000080976500 401010960 /nfs/dbraw/zinc/01/09/60/401010960.db2.gz QCIQRWATVAIKQJ-HNNXBMFYSA-N 1 0 311.429 3.428 10 0 DGAERO Cc1c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1N(C)C ZINC000245912592 401017224 /nfs/dbraw/zinc/01/72/24/401017224.db2.gz PLZRKBMLLYGHAD-ZFWWWQNUSA-N 1 0 318.465 3.007 10 0 DGAERO Cc1c(Br)cccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000232211181 400970161 /nfs/dbraw/zinc/97/01/61/400970161.db2.gz NEQXTYFJJPLYJG-NSHDSACASA-N 1 0 311.223 3.086 10 0 DGAERO c1cnn(-c2cncc(-c3cccc(C[C@@H]4CC[NH2+]C4)c3)c2)c1 ZINC000629733649 401064978 /nfs/dbraw/zinc/06/49/78/401064978.db2.gz BFAFARSQIPDHJX-INIZCTEOSA-N 1 0 304.397 3.086 10 0 DGAERO c1nc2ccccc2n1CCC[NH2+]Cc1nc2ccccc2o1 ZINC000607446228 401065117 /nfs/dbraw/zinc/06/51/17/401065117.db2.gz IZZULTGZWOFYGB-UHFFFAOYSA-N 1 0 306.369 3.357 10 0 DGAERO CCC[C@H](C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000248296083 401068449 /nfs/dbraw/zinc/06/84/49/401068449.db2.gz XHISDYUPPHYZEP-HNNXBMFYSA-N 1 0 303.450 3.203 10 0 DGAERO c1ccc(C[C@H]2CCC[N@@H+](CCOC3CCOCC3)C2)cc1 ZINC000625148871 401042485 /nfs/dbraw/zinc/04/24/85/401042485.db2.gz FDYILLOFBCADLU-GOSISDBHSA-N 1 0 303.446 3.137 10 0 DGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000607660442 401102133 /nfs/dbraw/zinc/10/21/33/401102133.db2.gz NLRWBYKUTCIHQP-BDJLRTHQSA-N 1 0 319.836 3.234 10 0 DGAERO COCCOc1ccc([C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000358223681 286002490 /nfs/dbraw/zinc/00/24/90/286002490.db2.gz LHFDGZFNKPWXIH-QGZVFWFLSA-N 1 0 318.461 3.014 10 0 DGAERO CC1=CCN(CC[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000358224096 286002824 /nfs/dbraw/zinc/00/28/24/286002824.db2.gz JKHSPDKCTXIEBZ-HXUWFJFHSA-N 1 0 307.441 3.413 10 0 DGAERO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c[nH]c2cc(Cl)ccc12 ZINC000594648226 401141360 /nfs/dbraw/zinc/14/13/60/401141360.db2.gz PDJKPSVRQZGBCW-CYBMUJFWSA-N 1 0 317.820 3.035 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000607924318 401151266 /nfs/dbraw/zinc/15/12/66/401151266.db2.gz MGXCOCZGPRQSKT-IRXDYDNUSA-N 1 0 306.494 3.463 10 0 DGAERO CC1CCC([N@H+](C)CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000061799113 401165485 /nfs/dbraw/zinc/16/54/85/401165485.db2.gz YXMWGNPAQQOVIV-UHFFFAOYSA-N 1 0 313.445 3.134 10 0 DGAERO CCc1nc2c(s1)[C@H]([NH2+]CCN1CC=C(C)CC1)CCC2 ZINC000358240188 286008412 /nfs/dbraw/zinc/00/84/12/286008412.db2.gz QLJHAXLNTJDODS-CQSZACIVSA-N 1 0 305.491 3.325 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(F)cn1 ZINC000358302352 286025603 /nfs/dbraw/zinc/02/56/03/286025603.db2.gz QNDZBUUADYPAHS-GXTWGEPZSA-N 1 0 302.349 3.101 10 0 DGAERO FC1(F)CCC[C@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000358322835 286031578 /nfs/dbraw/zinc/03/15/78/286031578.db2.gz UHRJMERSSQPUJC-LBPRGKRZSA-N 1 0 301.406 3.279 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)C2)cc1 ZINC000630074816 401178204 /nfs/dbraw/zinc/17/82/04/401178204.db2.gz SOTLWTSICACMAP-AHRSYUTCSA-N 1 0 314.473 3.450 10 0 DGAERO FC1(F)CCC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000358314118 286028995 /nfs/dbraw/zinc/02/89/95/286028995.db2.gz FDNCURYSGVFYLG-HNNXBMFYSA-N 1 0 309.404 3.214 10 0 DGAERO COC(=O)c1sccc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000088535308 401203959 /nfs/dbraw/zinc/20/39/59/401203959.db2.gz VUDCQOHPCUTJHK-OAHLLOKOSA-N 1 0 323.458 3.458 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)N2Cc3ccccc3[C@@H]2C)[C@@H](C)C1 ZINC000621433144 401213800 /nfs/dbraw/zinc/21/38/00/401213800.db2.gz IMDMWQYWHACQHO-ZQIUZPCESA-N 1 0 301.434 3.002 10 0 DGAERO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000358361108 286041584 /nfs/dbraw/zinc/04/15/84/286041584.db2.gz WAWLHTNAIOKEQG-JGGQBBKZSA-N 1 0 324.415 3.305 10 0 DGAERO C[C@H](O)[C@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000089931741 401244489 /nfs/dbraw/zinc/24/44/89/401244489.db2.gz ZDNIONZFWKTYHN-RYUDHWBXSA-N 1 0 318.244 3.465 10 0 DGAERO c1cc(CN2CC(Cc3ccsc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000621741161 401292689 /nfs/dbraw/zinc/29/26/89/401292689.db2.gz FHQGQCBWIACIKO-UHFFFAOYSA-N 1 0 310.426 3.003 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)c2ccccc21 ZINC000621753318 401294591 /nfs/dbraw/zinc/29/45/91/401294591.db2.gz MDZRKUGHSJEXSN-IEBWSBKVSA-N 1 0 318.461 3.261 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)c2ccccc21 ZINC000621759546 401296325 /nfs/dbraw/zinc/29/63/25/401296325.db2.gz ZNLYJARBBCSXOO-RPVQJOFSSA-N 1 0 302.418 3.032 10 0 DGAERO Cc1sc(CNC2=[NH+]CCCN2)nc1-c1ccc(Cl)cc1 ZINC000066244825 401298006 /nfs/dbraw/zinc/29/80/06/401298006.db2.gz FFYZAAPOTPINOJ-UHFFFAOYSA-N 1 0 320.849 3.211 10 0 DGAERO c1ccc(N2CCO[C@@H](C[N@@H+]3CCCC4(CC4)CC3)C2)cc1 ZINC000626115260 401303930 /nfs/dbraw/zinc/30/39/30/401303930.db2.gz MMICFTUQESAHIN-SFHVURJKSA-N 1 0 300.446 3.158 10 0 DGAERO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC3)CC2)cc1 ZINC000626113796 401303947 /nfs/dbraw/zinc/30/39/47/401303947.db2.gz GVXKRSFJIIGZNV-AWEZNQCLSA-N 1 0 314.429 3.482 10 0 DGAERO c1cc(C[NH2+]Cc2ccccc2-n2ccnc2)n(CC2CCC2)n1 ZINC000631051374 401378993 /nfs/dbraw/zinc/37/89/93/401378993.db2.gz UFOZZRDZCVZJDD-UHFFFAOYSA-N 1 0 321.428 3.159 10 0 DGAERO OCCC1(C[NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000631114936 401398896 /nfs/dbraw/zinc/39/88/96/401398896.db2.gz DYGZVDKTVAVSLD-UHFFFAOYSA-N 1 0 318.642 3.355 10 0 DGAERO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[C@H](O)C(F)F ZINC000631217007 401428802 /nfs/dbraw/zinc/42/88/02/401428802.db2.gz TVQFPZCGKDFWHB-OANVXVOSSA-N 1 0 321.314 3.297 10 0 DGAERO c1nc([C@@H]2CCCO2)sc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000631254031 401438391 /nfs/dbraw/zinc/43/83/91/401438391.db2.gz JJABWCAGHFIWDB-PMPSAXMXSA-N 1 0 322.474 3.432 10 0 DGAERO c1cn(-c2ccccc2)c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)n1 ZINC000631254998 401439230 /nfs/dbraw/zinc/43/92/30/401439230.db2.gz OODHLFJUYUJBSC-HKUYNNGSSA-N 1 0 311.429 3.310 10 0 DGAERO O[C@H](CC[NH2+][C@@H]1CCc2cc(Br)ccc21)C(F)F ZINC000631698276 401538960 /nfs/dbraw/zinc/53/89/60/401538960.db2.gz UPVUDQIJYNVLHN-VXGBXAGGSA-N 1 0 320.177 3.042 10 0 DGAERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1sccc1Br ZINC000631697761 401539059 /nfs/dbraw/zinc/53/90/59/401539059.db2.gz PMOMLOCFILVXJE-POYBYMJQSA-N 1 0 314.195 3.177 10 0 DGAERO CC[C@H]1CCCC[C@H]1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000628336874 401578029 /nfs/dbraw/zinc/57/80/29/401578029.db2.gz RCSNZNVGOPCQCN-GJZGRUSLSA-N 1 0 301.496 3.007 10 0 DGAERO Cc1cccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2cn[nH]c2)c1F ZINC000623770859 401578224 /nfs/dbraw/zinc/57/82/24/401578224.db2.gz WGLQFNPPDIICSX-WMLDXEAASA-N 1 0 303.381 3.115 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000623823868 401583594 /nfs/dbraw/zinc/58/35/94/401583594.db2.gz NQAYXSWFMIOKFL-DSLXNQLJSA-N 1 0 302.462 3.054 10 0 DGAERO c1nc(C2CC2)sc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623602037 401554101 /nfs/dbraw/zinc/55/41/01/401554101.db2.gz ABEPZHIJUBVOSI-HNNXBMFYSA-N 1 0 300.427 3.252 10 0 DGAERO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632855754 401632589 /nfs/dbraw/zinc/63/25/89/401632589.db2.gz UGDNHYCUUPZKPR-YGRLFVJLSA-N 1 0 313.228 3.208 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC2(C[NH3+])CCCCC2)cc1Cl ZINC000632932019 401639095 /nfs/dbraw/zinc/63/90/95/401639095.db2.gz QADMBRQNQVUSAF-UHFFFAOYSA-N 1 0 323.824 3.326 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000624310347 401649031 /nfs/dbraw/zinc/64/90/31/401649031.db2.gz AGOLJPLTHDYHQV-JRPNMDOOSA-N 1 0 310.235 3.451 10 0 DGAERO CO[C@](C)(C[NH2+][C@H](C)[C@@H]1CCCCO1)COCc1ccccc1 ZINC000624012406 401612733 /nfs/dbraw/zinc/61/27/33/401612733.db2.gz ZNXOKNAMMNHFRJ-NZSAHSFTSA-N 1 0 321.461 3.156 10 0 DGAERO Cc1nc([C@@H]2CCCN2Cc2ccc(F)c3cccnc23)no1 ZINC000624312867 401649615 /nfs/dbraw/zinc/64/96/15/401649615.db2.gz QNZMFDWSCXNDLX-HNNXBMFYSA-N 1 0 312.348 3.402 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000358674361 286121389 /nfs/dbraw/zinc/12/13/89/286121389.db2.gz ZFJWQUPWWYHALU-UHFFFAOYSA-N 1 0 313.445 3.017 10 0 DGAERO CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccc(F)cc1 ZINC000358789577 286154762 /nfs/dbraw/zinc/15/47/62/286154762.db2.gz HTGOFGBCZUMJRX-LLVKDONJSA-N 1 0 308.426 3.146 10 0 DGAERO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000179390739 304361679 /nfs/dbraw/zinc/36/16/79/304361679.db2.gz NQFHYJYCBRGHIU-YESZJQIVSA-N 1 0 304.478 3.290 10 0 DGAERO O=C1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1c1ccccc1 ZINC000359044801 286222754 /nfs/dbraw/zinc/22/27/54/286222754.db2.gz GXWMTQLHQOUYRM-IBGZPJMESA-N 1 0 306.409 3.459 10 0 DGAERO COCCCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359232035 286265824 /nfs/dbraw/zinc/26/58/24/286265824.db2.gz YWEYIYSDOSUPEY-QGZVFWFLSA-N 1 0 305.397 3.055 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cnc(C(C)(C)C)s2)CC1 ZINC000359492723 286319809 /nfs/dbraw/zinc/31/98/09/286319809.db2.gz JEXQESUKZQJENJ-UHFFFAOYSA-N 1 0 323.506 3.292 10 0 DGAERO CC(=O)c1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)ccc1F ZINC000359536190 286329704 /nfs/dbraw/zinc/32/97/04/286329704.db2.gz JVYXFUGAUHHOJW-AWEZNQCLSA-N 1 0 306.381 3.231 10 0 DGAERO COc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1 ZINC000185537921 286332178 /nfs/dbraw/zinc/33/21/78/286332178.db2.gz BWGHWIMGHHPABI-AWEZNQCLSA-N 1 0 305.422 3.081 10 0 DGAERO C[C@H]1CC[N@H+](CCC(=O)N2CCCCC2)[C@@H](c2ccco2)C1 ZINC000359614458 286347190 /nfs/dbraw/zinc/34/71/90/286347190.db2.gz ZABUFPMTRKPJIV-JKSUJKDBSA-N 1 0 304.434 3.455 10 0 DGAERO COC1(C[NH2+]CC[C@H]2COc3ccccc3O2)CCCCC1 ZINC000359699821 286363610 /nfs/dbraw/zinc/36/36/10/286363610.db2.gz KQAKZDRCMMCPID-HNNXBMFYSA-N 1 0 305.418 3.155 10 0 DGAERO O=C(Nc1cc2c(cn1)CCC2)c1cccc(C[NH+]2CCCC2)c1 ZINC000359754055 286375308 /nfs/dbraw/zinc/37/53/08/286375308.db2.gz VYYCNMMIURJPCI-UHFFFAOYSA-N 1 0 321.424 3.418 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)O2 ZINC000360658180 286516046 /nfs/dbraw/zinc/51/60/46/286516046.db2.gz RUBDBFFDADKFAU-LPHOPBHVSA-N 1 0 310.397 3.352 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000360664686 286516895 /nfs/dbraw/zinc/51/68/95/286516895.db2.gz RCOUYMLNMRNVQZ-YOEHRIQHSA-N 1 0 315.461 3.193 10 0 DGAERO O=C(C1CC[NH+](CCCc2ccsc2)CC1)N1CCCCC1 ZINC000361015225 286577066 /nfs/dbraw/zinc/57/70/66/286577066.db2.gz RRLUETUYWPXMME-UHFFFAOYSA-N 1 0 320.502 3.405 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+]CCCOC[C@H]1CCCO1)CCCO2 ZINC000163501981 292367614 /nfs/dbraw/zinc/36/76/14/292367614.db2.gz LECVVQVJZBJEDI-SJLPKXTDSA-N 1 0 319.445 3.384 10 0 DGAERO C(CC1CCCC1)C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000361324839 286653454 /nfs/dbraw/zinc/65/34/54/286653454.db2.gz FQMDVJASRZNQKH-UHFFFAOYSA-N 1 0 302.466 3.374 10 0 DGAERO COc1cccc(CC[NH2+][C@@H]2CCSc3ccccc32)n1 ZINC000361922623 286745060 /nfs/dbraw/zinc/74/50/60/286745060.db2.gz AUFSZCHTIVXOGX-OAHLLOKOSA-N 1 0 300.427 3.459 10 0 DGAERO COc1ccc2c(c1)[C@@H]([NH2+]CCc1cccc(OC)n1)CCC2 ZINC000361929204 286746150 /nfs/dbraw/zinc/74/61/50/286746150.db2.gz YKMAUZLSACPFDZ-SFHVURJKSA-N 1 0 312.413 3.309 10 0 DGAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000178716202 286779810 /nfs/dbraw/zinc/77/98/10/286779810.db2.gz UTAXDOSXGZAGKZ-ZBFHGGJFSA-N 1 0 304.434 3.103 10 0 DGAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343689 298378075 /nfs/dbraw/zinc/37/80/75/298378075.db2.gz PVTVNYSVNOCKCP-OLZOCXBDSA-N 1 0 312.479 3.199 10 0 DGAERO CCCc1noc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000362941399 286878922 /nfs/dbraw/zinc/87/89/22/286878922.db2.gz JXTWPDSOEMNDMJ-INIZCTEOSA-N 1 0 320.481 3.110 10 0 DGAERO Brc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCSC1 ZINC000364265425 287005189 /nfs/dbraw/zinc/00/51/89/287005189.db2.gz HALDDTKVRMAGSV-JOYOIKCWSA-N 1 0 314.248 3.368 10 0 DGAERO c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000364302424 287009669 /nfs/dbraw/zinc/00/96/69/287009669.db2.gz JKFKEDOJNUEEIS-KMFMINBZSA-N 1 0 305.443 3.151 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)CC2 ZINC000364767206 287059834 /nfs/dbraw/zinc/05/98/34/287059834.db2.gz FTHIHDSSQPADTH-MJBXVCDLSA-N 1 0 303.450 3.333 10 0 DGAERO O[C@@H](CN1CCC[C@H]1c1ccc(F)c(F)c1)CC(F)(F)F ZINC000364894745 287072585 /nfs/dbraw/zinc/07/25/85/287072585.db2.gz LUZPIRGSVNENPW-MFKMUULPSA-N 1 0 309.278 3.415 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ncoc1-c1ccc(C)cc1 ZINC000173710397 164703927 /nfs/dbraw/zinc/70/39/27/164703927.db2.gz YGXRWONDCJAQBP-AWEZNQCLSA-N 1 0 315.417 3.110 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1 ZINC000182093922 164928635 /nfs/dbraw/zinc/92/86/35/164928635.db2.gz AJGBFGGJPPAUKA-KSSFIOAISA-N 1 0 306.450 3.483 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000185156644 164994646 /nfs/dbraw/zinc/99/46/46/164994646.db2.gz QQNYILUUCQFAHD-DLBZAZTESA-N 1 0 306.425 3.008 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000185370022 165002905 /nfs/dbraw/zinc/00/29/05/165002905.db2.gz JBGGODQPHHDPRD-OAHLLOKOSA-N 1 0 312.841 3.007 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)[C@@H]1COc2ccccc21 ZINC000185560240 165007750 /nfs/dbraw/zinc/00/77/50/165007750.db2.gz FSQHHQKHJKEVKL-KCTSRDHCSA-N 1 0 319.351 3.153 10 0 DGAERO C[C@@H]([NH2+]CCCOCC(F)(F)F)[C@H]1COc2ccccc21 ZINC000185562840 165007757 /nfs/dbraw/zinc/00/77/57/165007757.db2.gz LZZJEGCRJVCWFS-DGCLKSJQSA-N 1 0 303.324 3.110 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000185642680 165010924 /nfs/dbraw/zinc/01/09/24/165010924.db2.gz JRWBICPDZOXKTK-OAHLLOKOSA-N 1 0 312.413 3.299 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000185798392 165016386 /nfs/dbraw/zinc/01/63/86/165016386.db2.gz FPQRFZJUINGCKK-OPQOLIRYSA-N 1 0 306.494 3.438 10 0 DGAERO CN(Cc1ccccc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000185842636 165018891 /nfs/dbraw/zinc/01/88/91/165018891.db2.gz YARRSRYKQNBVAD-GOSISDBHSA-N 1 0 315.461 3.189 10 0 DGAERO COc1ccsc1[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000186108530 165028101 /nfs/dbraw/zinc/02/81/01/165028101.db2.gz IOWZFKXJVRWBMZ-ZDUSSCGKSA-N 1 0 317.458 3.471 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cc(Cl)ccc1Cl ZINC000186180160 165030939 /nfs/dbraw/zinc/03/09/39/165030939.db2.gz BFCYCJLVTVTVRE-VHSXEESVSA-N 1 0 324.273 3.325 10 0 DGAERO O=C(CN1Cc2ccccc2C2(CC2)C1)N1CCc2ccccc21 ZINC000186174105 165031258 /nfs/dbraw/zinc/03/12/58/165031258.db2.gz OOXSDRJRGMYAQU-UHFFFAOYSA-N 1 0 318.420 3.123 10 0 DGAERO O[C@@H](COCc1ccccc1)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186198464 165032448 /nfs/dbraw/zinc/03/24/48/165032448.db2.gz CKZGJZVVNGAQEE-LJQANCHMSA-N 1 0 323.436 3.112 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)[C@@H]1Oc1ccccc1 ZINC000186235260 165033992 /nfs/dbraw/zinc/03/39/92/165033992.db2.gz JIJGSHSWVAJZCQ-XBVQOTNRSA-N 1 0 307.459 3.097 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1csc(C(C)C)n1)CC2 ZINC000186399432 165040671 /nfs/dbraw/zinc/04/06/71/165040671.db2.gz AMCGYAOAHTVLMD-VXGBXAGGSA-N 1 0 319.478 3.086 10 0 DGAERO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186547498 165048542 /nfs/dbraw/zinc/04/85/42/165048542.db2.gz GJEAAUGAQQGUEQ-BHYGNILZSA-N 1 0 318.848 3.187 10 0 DGAERO O=C(c1cc(Cl)sc1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186521184 165048747 /nfs/dbraw/zinc/04/87/47/165048747.db2.gz RVYNPCXBNRWHII-MRVPVSSYSA-N 1 0 319.257 3.412 10 0 DGAERO C[C@@H]1CN(C2CC[NH+](CCCCc3ccccc3)CC2)CCO1 ZINC000186727328 165056880 /nfs/dbraw/zinc/05/68/80/165056880.db2.gz WCAAZXCKFBAJIE-GOSISDBHSA-N 1 0 316.489 3.194 10 0 DGAERO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C)nc3C)C2)n1 ZINC000187066317 165074968 /nfs/dbraw/zinc/07/49/68/165074968.db2.gz HDVORNBSDYPLIF-KRWDZBQOSA-N 1 0 310.445 3.336 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)C1CCSCC1 ZINC000187207004 165081527 /nfs/dbraw/zinc/08/15/27/165081527.db2.gz BWJWZWTZADKEEE-RHSMWYFYSA-N 1 0 318.486 3.303 10 0 DGAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(C)n1 ZINC000187405324 165089418 /nfs/dbraw/zinc/08/94/18/165089418.db2.gz IREGUVZPSJEJMS-CQSZACIVSA-N 1 0 307.401 3.130 10 0 DGAERO CCC[C@H]([NH2+][C@H]1CCc2nc(CC)nn2C1)c1ccsc1 ZINC000187777184 165103272 /nfs/dbraw/zinc/10/32/72/165103272.db2.gz VVNWZAOWOLUTNH-KBPBESRZSA-N 1 0 304.463 3.348 10 0 DGAERO Cc1coc2ccc(NC(=O)N3CCC([NH+](C)C)CC3)cc12 ZINC000187950455 165106790 /nfs/dbraw/zinc/10/67/90/165106790.db2.gz ZEBKUJWEWNZHPO-UHFFFAOYSA-N 1 0 301.390 3.299 10 0 DGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000187966061 165107647 /nfs/dbraw/zinc/10/76/47/165107647.db2.gz ORRJAJYZSVKMBO-ACJLOTCBSA-N 1 0 318.392 3.464 10 0 DGAERO Cc1cn2c(C[NH+]3CCC([C@H]4CCCO4)CC3)c(C)nc2s1 ZINC000188260770 165118390 /nfs/dbraw/zinc/11/83/90/165118390.db2.gz SZASTUSRPFROOS-MRXNPFEDSA-N 1 0 319.474 3.404 10 0 DGAERO CCc1ccccc1CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000188398510 165121941 /nfs/dbraw/zinc/12/19/41/165121941.db2.gz XORNWHQFVDGSFM-UHFFFAOYSA-N 1 0 314.473 3.126 10 0 DGAERO O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000188666923 165131972 /nfs/dbraw/zinc/13/19/72/165131972.db2.gz KNMWNDPQDYUCHD-WOJBJXKFSA-N 1 0 320.436 3.250 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCO2)c1 ZINC000188679453 165132667 /nfs/dbraw/zinc/13/26/67/165132667.db2.gz BARYKAXAQRXSDO-YOEHRIQHSA-N 1 0 305.418 3.410 10 0 DGAERO O=C(CCC1CCC1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188966407 165143652 /nfs/dbraw/zinc/14/36/52/165143652.db2.gz LIERFTQENVIXOH-PBHICJAKSA-N 1 0 322.399 3.107 10 0 DGAERO O=C(CC[N@@H+]1CCC[C@H]1c1ccco1)N1CCc2ccccc2C1 ZINC000189033725 165146348 /nfs/dbraw/zinc/14/63/48/165146348.db2.gz JTNAVKQXXCDDCH-SFHVURJKSA-N 1 0 324.424 3.392 10 0 DGAERO Fc1ccc(-c2nc(CC[NH2+]Cc3ccc(F)nc3)co2)cc1 ZINC000189063948 165148038 /nfs/dbraw/zinc/14/80/38/165148038.db2.gz UHVHFZZNAJHAAW-UHFFFAOYSA-N 1 0 315.323 3.347 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)nc1 ZINC000189310410 165157408 /nfs/dbraw/zinc/15/74/08/165157408.db2.gz OLIXULRSXPXEPW-INIZCTEOSA-N 1 0 300.377 3.436 10 0 DGAERO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000189354545 165158384 /nfs/dbraw/zinc/15/83/84/165158384.db2.gz LJTJQVUULAIIRM-IRXDYDNUSA-N 1 0 300.377 3.137 10 0 DGAERO Cc1cccc2nc(C3CC[NH+](Cc4ccnn4C)CC3)oc21 ZINC000189801699 165175686 /nfs/dbraw/zinc/17/56/86/165175686.db2.gz BWPVOXVDVZPSII-UHFFFAOYSA-N 1 0 310.401 3.249 10 0 DGAERO Cc1nc([C@H]2CCC[N@@H+]2CCC(=O)NC2CCCC2)cs1 ZINC000189836906 165177865 /nfs/dbraw/zinc/17/78/65/165177865.db2.gz LJCRPDICWNFABR-OAHLLOKOSA-N 1 0 307.463 3.037 10 0 DGAERO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H](O)CC1CCCC1 ZINC000190317356 165197517 /nfs/dbraw/zinc/19/75/17/165197517.db2.gz BWHZWLRESBMINB-IBGZPJMESA-N 1 0 313.445 3.245 10 0 DGAERO COc1ccnc(C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)c1OC ZINC000190593547 165208730 /nfs/dbraw/zinc/20/87/30/165208730.db2.gz SEASOPWQTRWYNY-HNNXBMFYSA-N 1 0 314.429 3.470 10 0 DGAERO CCN(C)c1ccc(C[NH2+]Cc2cnn(-c3ccccc3)c2)cn1 ZINC000190740190 165213425 /nfs/dbraw/zinc/21/34/25/165213425.db2.gz XXYJEWDSUYOJFC-UHFFFAOYSA-N 1 0 321.428 3.013 10 0 DGAERO CCn1cc([C@H]2C[N@@H+]([C@@H](C)CCc3ccccc3)CCO2)cn1 ZINC000190732679 165213908 /nfs/dbraw/zinc/21/39/08/165213908.db2.gz WCKNGTYOXQKYBT-QFBILLFUSA-N 1 0 313.445 3.298 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3Cl)o2)C[C@H]1CO ZINC000190859596 165219300 /nfs/dbraw/zinc/21/93/00/165219300.db2.gz XIZAUZSGVBHDLR-NEPJUHHUSA-N 1 0 306.793 3.055 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191091941 165230620 /nfs/dbraw/zinc/23/06/20/165230620.db2.gz BMNHCRNGTATUNU-KVSKMBFKSA-N 1 0 308.510 3.170 10 0 DGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(Br)o1 ZINC000191173097 165233990 /nfs/dbraw/zinc/23/39/90/165233990.db2.gz WQGCOICIAIHBGB-CYBMUJFWSA-N 1 0 304.228 3.319 10 0 DGAERO CC[NH+](CC)CCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000191496649 165254329 /nfs/dbraw/zinc/25/43/29/165254329.db2.gz YKNYODXXXABATI-UHFFFAOYSA-N 1 0 308.441 3.401 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCCSC2)c(-n2cc(Cl)cn2)n1 ZINC000191527105 165257498 /nfs/dbraw/zinc/25/74/98/165257498.db2.gz RWLUJBFDRLHDCS-AWEZNQCLSA-N 1 0 322.865 3.214 10 0 DGAERO CCCn1cc(CN2CCO[C@@H](c3ccc(CC)cc3)C2)cn1 ZINC000191667291 165264759 /nfs/dbraw/zinc/26/47/59/165264759.db2.gz HUWBOPJIIYYOQC-LJQANCHMSA-N 1 0 313.445 3.429 10 0 DGAERO CCn1cc([C@H]2C[N@H+](CC3CCC(C)(C)CC3)CCO2)cn1 ZINC000191698294 165265099 /nfs/dbraw/zinc/26/50/99/165265099.db2.gz HOVQRUSPXLBXDO-QGZVFWFLSA-N 1 0 305.466 3.493 10 0 DGAERO Cc1csc(C2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)n1 ZINC000191978061 165277076 /nfs/dbraw/zinc/27/70/76/165277076.db2.gz YRHYZLHQHXSLJQ-AWEZNQCLSA-N 1 0 320.458 3.117 10 0 DGAERO Cc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1-c1ncco1 ZINC000192499916 165295201 /nfs/dbraw/zinc/29/52/01/165295201.db2.gz ZEPADZUTNQOBDX-IBGZPJMESA-N 1 0 321.380 3.463 10 0 DGAERO Cc1csc2c1ncnc2N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000192628309 165300190 /nfs/dbraw/zinc/30/01/90/165300190.db2.gz OLLGYYWEIKFTMH-AWEZNQCLSA-N 1 0 316.474 3.312 10 0 DGAERO COc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1F ZINC000192691329 165301748 /nfs/dbraw/zinc/30/17/48/165301748.db2.gz VDKUUUIIMXIYTG-LSDHHAIUSA-N 1 0 303.381 3.304 10 0 DGAERO c1ccc(C[N@H+]2CC[C@H](CNc3ccnc(C4CC4)n3)C2)cc1 ZINC000192953528 165312322 /nfs/dbraw/zinc/31/23/22/165312322.db2.gz HWNPOCPVMZOFAK-MRXNPFEDSA-N 1 0 308.429 3.288 10 0 DGAERO CCn1cc(C2CC[NH+](Cc3cccc(OC)c3F)CC2)cn1 ZINC000192947869 165313153 /nfs/dbraw/zinc/31/31/53/165313153.db2.gz CWMRXEUAYNBWKI-UHFFFAOYSA-N 1 0 317.408 3.430 10 0 DGAERO Cc1csc(C2CC[NH+](CCO[C@@H]3CCCCO3)CC2)n1 ZINC000193047673 165315907 /nfs/dbraw/zinc/31/59/07/165315907.db2.gz CENRNHPJEBKXBA-OAHLLOKOSA-N 1 0 310.463 3.174 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)s1 ZINC000193112371 165318439 /nfs/dbraw/zinc/31/84/39/165318439.db2.gz VBGUIFSPJOKWSP-WDEREUQCSA-N 1 0 300.855 3.311 10 0 DGAERO COc1ncccc1C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000193324751 165322580 /nfs/dbraw/zinc/32/25/80/165322580.db2.gz IOMPHKRMSICQRV-CQSZACIVSA-N 1 0 303.431 3.235 10 0 DGAERO CC(C)[NH2+]CCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000193463819 165327042 /nfs/dbraw/zinc/32/70/42/165327042.db2.gz IHSGTFJEAVVDTI-AWEZNQCLSA-N 1 0 307.507 3.199 10 0 DGAERO CC(C)[NH2+]CCN1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000193471162 165327376 /nfs/dbraw/zinc/32/73/76/165327376.db2.gz RNSLZXHKICOWMX-QGZVFWFLSA-N 1 0 312.461 3.254 10 0 DGAERO CC1(C)CCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194411741 165344602 /nfs/dbraw/zinc/34/46/02/165344602.db2.gz VLSVZEXEVRKLMM-KRWDZBQOSA-N 1 0 315.461 3.093 10 0 DGAERO CCCOc1cccc2c(N3CC[NH+]4CCC3CC4)ccnc12 ZINC000194747495 165354453 /nfs/dbraw/zinc/35/44/53/165354453.db2.gz HQZIPJXOUUDIDN-UHFFFAOYSA-N 1 0 311.429 3.308 10 0 DGAERO Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc(O)c3)CC2)n1 ZINC000194894282 165356272 /nfs/dbraw/zinc/35/62/72/165356272.db2.gz XZJVZMVTOSRRKM-OAHLLOKOSA-N 1 0 311.429 3.415 10 0 DGAERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc(O)c3)CC2)n1 ZINC000194894272 165357285 /nfs/dbraw/zinc/35/72/85/165357285.db2.gz XZJVZMVTOSRRKM-HNNXBMFYSA-N 1 0 311.429 3.415 10 0 DGAERO O=C(N[C@H]1COc2ccccc21)c1cccc(C[NH+]2CCCC2)c1 ZINC000195015486 165359089 /nfs/dbraw/zinc/35/90/89/165359089.db2.gz MBDBVJCRAIPTKZ-SFHVURJKSA-N 1 0 322.408 3.146 10 0 DGAERO Cc1c2cc(F)ccc2sc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195337084 165365659 /nfs/dbraw/zinc/36/56/59/165365659.db2.gz MCWIITNCAGWHPA-ZDUSSCGKSA-N 1 0 318.417 3.269 10 0 DGAERO Cc1c2cc(F)ccc2sc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195337077 165365786 /nfs/dbraw/zinc/36/57/86/165365786.db2.gz MCWIITNCAGWHPA-CYBMUJFWSA-N 1 0 318.417 3.269 10 0 DGAERO CC(C)(C)c1csc([C@H]2CN(C[C@@H]3CCCCO3)CCO2)n1 ZINC000195400849 165369169 /nfs/dbraw/zinc/36/91/69/165369169.db2.gz WGNCLTQLJNSSHL-UONOGXRCSA-N 1 0 324.490 3.383 10 0 DGAERO Cc1csc([C@@H]2CN(CCOc3ccc(F)cc3)CCO2)n1 ZINC000195393156 165369207 /nfs/dbraw/zinc/36/92/07/165369207.db2.gz IOBYDECOAZHFCK-HNNXBMFYSA-N 1 0 322.405 3.043 10 0 DGAERO C[C@@]1([NH2+]Cc2ccc(Br)c(F)c2)CCCOC1 ZINC000221368589 165379398 /nfs/dbraw/zinc/37/93/98/165379398.db2.gz XVSFWWMSTMFTQY-CYBMUJFWSA-N 1 0 302.187 3.247 10 0 DGAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000245496021 165461096 /nfs/dbraw/zinc/46/10/96/165461096.db2.gz QPQWFHQFFIVCLQ-AKBNIOSXSA-N 1 0 307.482 3.222 10 0 DGAERO CC1(C)[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H]2CCCO[C@H]21 ZINC000245829010 165486054 /nfs/dbraw/zinc/48/60/54/165486054.db2.gz BIHVXBXQAWSBQW-MORSLUCNSA-N 1 0 313.445 3.289 10 0 DGAERO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CCCC[C@H]1O ZINC000245990972 165497625 /nfs/dbraw/zinc/49/76/25/165497625.db2.gz QRSOFXQRVDKUBH-RHSMWYFYSA-N 1 0 317.408 3.199 10 0 DGAERO CCOc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1F ZINC000246506161 165522820 /nfs/dbraw/zinc/52/28/20/165522820.db2.gz SKPKXCBMHPKTAB-DOMZBBRYSA-N 1 0 323.412 3.075 10 0 DGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1N(C)C ZINC000247966733 165601311 /nfs/dbraw/zinc/60/13/11/165601311.db2.gz GWOQKRSIBVKYAK-HYEYJGRESA-N 1 0 306.425 3.356 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2nc(C)cs2)C12CCOCC2 ZINC000248997364 165662488 /nfs/dbraw/zinc/66/24/88/165662488.db2.gz MIELAFXNFNDLMS-MGPQQGTHSA-N 1 0 310.463 3.076 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1ccc2ccccc2c1 ZINC000261612214 165721465 /nfs/dbraw/zinc/72/14/65/165721465.db2.gz FWSNBCBIJNYXHK-FUUYNRHESA-N 1 0 322.452 3.405 10 0 DGAERO Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261967706 165773004 /nfs/dbraw/zinc/77/30/04/165773004.db2.gz LJVRLKDIQXMHTL-SFHVURJKSA-N 1 0 323.440 3.256 10 0 DGAERO C[C@@H](c1ccc[nH]1)[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088789 287141537 /nfs/dbraw/zinc/14/15/37/287141537.db2.gz YMQGKWCHLAQCPE-KBPBESRZSA-N 1 0 307.438 3.407 10 0 DGAERO CC1(C)CN(C(=O)Nc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000262581321 165811985 /nfs/dbraw/zinc/81/19/85/165811985.db2.gz YZJZTWZIIYGLDH-LBPRGKRZSA-N 1 0 315.339 3.297 10 0 DGAERO C[C@H](C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000262613731 165812851 /nfs/dbraw/zinc/81/28/51/165812851.db2.gz YWOXUEUVDSQXRV-MGPUTAFESA-N 1 0 320.436 3.168 10 0 DGAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000262901586 165823845 /nfs/dbraw/zinc/82/38/45/165823845.db2.gz DQKMNCDPFQFNJI-APWZRJJASA-N 1 0 316.445 3.142 10 0 DGAERO COc1cc(C[NH2+]C2CC(OCc3ccccc3)C2)ccc1O ZINC000365883384 287184437 /nfs/dbraw/zinc/18/44/37/287184437.db2.gz NXNIQVSDCMBEKJ-UHFFFAOYSA-N 1 0 313.397 3.238 10 0 DGAERO Cc1ccc([C@H]2CCCCC[N@H+]2C[C@H](C)CS(C)(=O)=O)o1 ZINC000365981271 287195150 /nfs/dbraw/zinc/19/51/50/287195150.db2.gz VSMYZGSTSDPFMU-DZGCQCFKSA-N 1 0 313.463 3.186 10 0 DGAERO Cc1nc([C@H](C)N2CCC[C@H](C[NH+]3CCCCCC3)C2)no1 ZINC000366014166 287199658 /nfs/dbraw/zinc/19/96/58/287199658.db2.gz XWEBNYZJWQEUGM-GOEBONIOSA-N 1 0 306.454 3.027 10 0 DGAERO CCCCNC(=O)[C@H](C)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000128923560 196004293 /nfs/dbraw/zinc/00/42/93/196004293.db2.gz IAWRHHZUZUZSBT-AWEZNQCLSA-N 1 0 321.440 3.007 10 0 DGAERO Cc1cc(CC[NH2+]Cc2cccc3c2OCCO3)cc(C)c1O ZINC000190396768 432152545 /nfs/dbraw/zinc/15/25/45/432152545.db2.gz KLEUFIQQQYZUQG-UHFFFAOYSA-N 1 0 313.397 3.113 10 0 DGAERO CC(C)[C@H](C(=O)Nc1cccc2[nH]cnc21)[NH+]1CCCCC1 ZINC000136249942 432150740 /nfs/dbraw/zinc/15/07/40/432150740.db2.gz ASVHDMWRBOPDLW-MRXNPFEDSA-N 1 0 300.406 3.012 10 0 DGAERO CN(C)c1ncccc1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000181944946 432150898 /nfs/dbraw/zinc/15/08/98/432150898.db2.gz XWELMPFODHGJQK-MRXNPFEDSA-N 1 0 315.392 3.290 10 0 DGAERO c1[nH]nc2cc(C[NH2+][C@@H]3CCOC4(CCSCC4)C3)ccc12 ZINC000269311274 432159903 /nfs/dbraw/zinc/15/99/03/432159903.db2.gz GAEMKYBHOIEJCC-OAHLLOKOSA-N 1 0 317.458 3.097 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc3cc(F)ccc3o2)C1 ZINC000246751381 432160540 /nfs/dbraw/zinc/16/05/40/432160540.db2.gz BKFNUWNVFATABI-SMDDNHRTSA-N 1 0 304.365 3.030 10 0 DGAERO CCOc1cc(C)ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246750220 432161004 /nfs/dbraw/zinc/16/10/04/432161004.db2.gz BJQZMYKYEGUSEE-GJZGRUSLSA-N 1 0 319.449 3.340 10 0 DGAERO CCN1CCC[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129444240 196049126 /nfs/dbraw/zinc/04/91/26/196049126.db2.gz FNSJKXVZRKWONO-AWEZNQCLSA-N 1 0 304.331 3.418 10 0 DGAERO CCc1cc(NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)ccc1C ZINC000182025165 432154744 /nfs/dbraw/zinc/15/47/44/432154744.db2.gz KXPLDDCUJHRQOY-OAHLLOKOSA-N 1 0 303.450 3.363 10 0 DGAERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000171644027 432155106 /nfs/dbraw/zinc/15/51/06/432155106.db2.gz KBXWARUGIYDEPM-ZDUSSCGKSA-N 1 0 302.397 3.378 10 0 DGAERO NC(=[NH2+])SCc1ccnc(-c2ccc(Br)cc2)n1 ZINC000136494120 432156189 /nfs/dbraw/zinc/15/61/89/432156189.db2.gz QLMZGQZMJMYXDP-UHFFFAOYSA-N 1 0 323.219 3.033 10 0 DGAERO O=C(N[C@H]1CCCc2sccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000136515236 432156289 /nfs/dbraw/zinc/15/62/89/432156289.db2.gz PTVMSBOQEMUAJY-HIFRSBDPSA-N 1 0 319.474 3.005 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccc(C(=O)OC)cc1F ZINC000137161925 432171487 /nfs/dbraw/zinc/17/14/87/432171487.db2.gz AZXNWBVINHFSFS-UHFFFAOYSA-N 1 0 322.405 3.133 10 0 DGAERO Cc1ccc2c(C[N@@H+]3CCS[C@@H](C)C3)cc(=O)oc2c1C ZINC000171700765 432162648 /nfs/dbraw/zinc/16/26/48/432162648.db2.gz XDZQCGGTVGQLKG-LBPRGKRZSA-N 1 0 303.427 3.347 10 0 DGAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000190484472 432163803 /nfs/dbraw/zinc/16/38/03/432163803.db2.gz RVBJHSQWAKPCPZ-MRXNPFEDSA-N 1 0 301.459 3.097 10 0 DGAERO CCN(Cc1ccccc1C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246781667 432165561 /nfs/dbraw/zinc/16/55/61/432165561.db2.gz CKKMOQAYHRROHX-SJLPKXTDSA-N 1 0 317.477 3.255 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCOc3ccccc3C)[C@@H]2C1 ZINC000246834207 432169483 /nfs/dbraw/zinc/16/94/83/432169483.db2.gz QGKPYGKASTVYEH-LMMKCTJWSA-N 1 0 319.445 3.032 10 0 DGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000246836093 432169879 /nfs/dbraw/zinc/16/98/79/432169879.db2.gz BYAHSGQFHSSHBY-APWZRJJASA-N 1 0 312.461 3.066 10 0 DGAERO Cn1ccnc1C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000171768870 432170039 /nfs/dbraw/zinc/17/00/39/432170039.db2.gz BEEGGNQUABXTPT-UHFFFAOYSA-N 1 0 322.250 3.294 10 0 DGAERO O[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000182299901 432176950 /nfs/dbraw/zinc/17/69/50/432176950.db2.gz BIXPGYPPQDBCFA-DLBZAZTESA-N 1 0 316.470 3.316 10 0 DGAERO CC(C)C[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190636615 432177297 /nfs/dbraw/zinc/17/72/97/432177297.db2.gz VHRDVBSATMWMET-SJLPKXTDSA-N 1 0 317.477 3.044 10 0 DGAERO CCOc1ccc([C@H](C)[NH2+]CC2(C)OCCCO2)cc1OCC ZINC000190657143 432179507 /nfs/dbraw/zinc/17/95/07/432179507.db2.gz HVIHZYOHJHKDJQ-AWEZNQCLSA-N 1 0 323.433 3.288 10 0 DGAERO CCc1ccc([C@H](C)CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246935196 432182471 /nfs/dbraw/zinc/18/24/71/432182471.db2.gz DSWNVPIIFNRREU-QAPCUYQASA-N 1 0 300.446 3.049 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000246918842 432181739 /nfs/dbraw/zinc/18/17/39/432181739.db2.gz IHTRYPJWQZAIPW-FGTMMUONSA-N 1 0 300.446 3.124 10 0 DGAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000171900595 432181820 /nfs/dbraw/zinc/18/18/20/432181820.db2.gz SAVSIXAGMPGVDB-HZPDHXFCSA-N 1 0 321.852 3.281 10 0 DGAERO COc1c(C)ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246861469 432174351 /nfs/dbraw/zinc/17/43/51/432174351.db2.gz SPSFESHPFQIGEN-DZGCQCFKSA-N 1 0 319.449 3.258 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC([C@H](C)O)CC1 ZINC000137338204 432174624 /nfs/dbraw/zinc/17/46/24/432174624.db2.gz GMPXJXSUUNJATE-INIZCTEOSA-N 1 0 318.461 3.115 10 0 DGAERO O[C@H](CC1CCCC1)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000190604233 432175315 /nfs/dbraw/zinc/17/53/15/432175315.db2.gz KKSVDMDVQYDFCO-WOJBJXKFSA-N 1 0 317.473 3.466 10 0 DGAERO COc1ccnc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1OC ZINC000190602274 432175509 /nfs/dbraw/zinc/17/55/09/432175509.db2.gz ANVFLIHUFSABNW-OAHLLOKOSA-N 1 0 320.433 3.022 10 0 DGAERO CS[C@H]1CCCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000246935775 432183359 /nfs/dbraw/zinc/18/33/59/432183359.db2.gz TYDJKDKYRGRJLK-SWLSCSKDSA-N 1 0 301.402 3.216 10 0 DGAERO CSc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000171942046 432185101 /nfs/dbraw/zinc/18/51/01/432185101.db2.gz DMHXHNSKPNLNKV-QGZVFWFLSA-N 1 0 320.502 3.095 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000182405120 432186734 /nfs/dbraw/zinc/18/67/34/432186734.db2.gz UNEMGNRFZKAOEB-KRWDZBQOSA-N 1 0 315.392 3.068 10 0 DGAERO CCOC(=O)[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccccc1 ZINC000171968358 432187761 /nfs/dbraw/zinc/18/77/61/432187761.db2.gz MQLXRTVHQDSTAO-SFHVURJKSA-N 1 0 310.397 3.348 10 0 DGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)COCc1ccc(OC)cc1 ZINC000150740528 432188085 /nfs/dbraw/zinc/18/80/85/432188085.db2.gz GHDSBDFMDMQPDD-MSOLQXFVSA-N 1 0 321.461 3.227 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)Cc2csc([C@@H](C)OC)n2)[C@@H](C)C1 ZINC000246985190 432188143 /nfs/dbraw/zinc/18/81/43/432188143.db2.gz JUTXZZBGCVKYLV-GUTXKFCHSA-N 1 0 311.495 3.013 10 0 DGAERO Cc1ccc(CCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC000246995558 432188270 /nfs/dbraw/zinc/18/82/70/432188270.db2.gz KNULJQCFFWCNQD-UKRRQHHQSA-N 1 0 306.475 3.074 10 0 DGAERO CCOC(=O)CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246935411 432183247 /nfs/dbraw/zinc/18/32/47/432183247.db2.gz TXTZNQXWUQWYAC-IAGOWNOFSA-N 1 0 323.408 3.057 10 0 DGAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1cn(-c2ccccc2)nn1 ZINC000150896423 432199766 /nfs/dbraw/zinc/19/97/66/432199766.db2.gz JEXCBOBYLHCQAC-CQSZACIVSA-N 1 0 319.412 3.386 10 0 DGAERO CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)COCc1ccccc1OC ZINC000247030029 432193263 /nfs/dbraw/zinc/19/32/63/432193263.db2.gz VMEUFTPHZNSPRC-ZWKOTPCHSA-N 1 0 321.461 3.227 10 0 DGAERO CCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000247031733 432194062 /nfs/dbraw/zinc/19/40/62/432194062.db2.gz DUYOYOFAFCPJDP-MSOLQXFVSA-N 1 0 321.461 3.016 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(-c2ccccc2)s1 ZINC000172082319 432194165 /nfs/dbraw/zinc/19/41/65/432194165.db2.gz XNJIJUUFBZOLRM-GDBMZVCRSA-N 1 0 313.470 3.479 10 0 DGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000247040211 432195432 /nfs/dbraw/zinc/19/54/32/432195432.db2.gz MSGVDRANHSJZQY-DYEKYZERSA-N 1 0 317.458 3.047 10 0 DGAERO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000247039670 432195794 /nfs/dbraw/zinc/19/57/94/432195794.db2.gz VGJLRQXXCYJRHK-UONOGXRCSA-N 1 0 323.506 3.361 10 0 DGAERO C[C@H](CCc1ccccc1F)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247043374 432196364 /nfs/dbraw/zinc/19/63/64/432196364.db2.gz YARSKFRFPQBRRT-INMHGKMJSA-N 1 0 318.436 3.090 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N(C)Cc1cccc(F)c1 ZINC000172169910 432201567 /nfs/dbraw/zinc/20/15/67/432201567.db2.gz WICKHFFLMDMPPH-UONOGXRCSA-N 1 0 306.425 3.341 10 0 DGAERO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)cc1 ZINC000130596961 196093915 /nfs/dbraw/zinc/09/39/15/196093915.db2.gz YJHIQILZAVRUAC-KBXCAEBGSA-N 1 0 315.413 3.478 10 0 DGAERO CCCn1cc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cn1 ZINC000131182001 196147922 /nfs/dbraw/zinc/14/79/22/196147922.db2.gz WFOJCSTZCHQYGJ-GOSISDBHSA-N 1 0 313.445 3.332 10 0 DGAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000247152546 432207054 /nfs/dbraw/zinc/20/70/54/432207054.db2.gz RNVBKSPDYYWCMF-TWMKSMIVSA-N 1 0 317.429 3.456 10 0 DGAERO CC(C)(C)C1CCC(O)(C[NH2+]Cc2cn(C(C)(C)C)nn2)CC1 ZINC000190993190 432209628 /nfs/dbraw/zinc/20/96/28/432209628.db2.gz XJYLDVJUNKXMOO-UHFFFAOYSA-N 1 0 322.497 3.090 10 0 DGAERO CC1([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)OCCO1 ZINC000191017355 432212948 /nfs/dbraw/zinc/21/29/48/432212948.db2.gz YDBFIKNNEOFKFB-SJORKVTESA-N 1 0 323.477 3.343 10 0 DGAERO CC(C)[C@H](C)CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182656375 432213613 /nfs/dbraw/zinc/21/36/13/432213613.db2.gz JCHAGQMCXILXRM-BZUAXINKSA-N 1 0 309.498 3.231 10 0 DGAERO Cn1cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cn1 ZINC000247243609 432214531 /nfs/dbraw/zinc/21/45/31/432214531.db2.gz TXYHJMUKJRKFHN-HZPDHXFCSA-N 1 0 319.474 3.350 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247250040 432216094 /nfs/dbraw/zinc/21/60/94/432216094.db2.gz YFHPMFINGZMYKQ-FCGDIQPGSA-N 1 0 321.436 3.321 10 0 DGAERO O=C(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000182664307 432215782 /nfs/dbraw/zinc/21/57/82/432215782.db2.gz JXARZVVUSWBOMB-INIZCTEOSA-N 1 0 301.365 3.349 10 0 DGAERO C([C@H]1CCC2(CCCCC2)O1)N1CCC([NH+]2CCCC2)CC1 ZINC000190938109 432203814 /nfs/dbraw/zinc/20/38/14/432203814.db2.gz MDZDCJVUMBPZGC-GOSISDBHSA-N 1 0 306.494 3.429 10 0 DGAERO O[C@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000247114563 432204208 /nfs/dbraw/zinc/20/42/08/432204208.db2.gz PHIMOKMDGZPSCA-CRAIPNDOSA-N 1 0 322.880 3.324 10 0 DGAERO CCc1cnccc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000182570224 432205624 /nfs/dbraw/zinc/20/56/24/432205624.db2.gz WIXAKVAAAVOHJY-CRAIPNDOSA-N 1 0 323.440 3.037 10 0 DGAERO Cc1ccc(OCCC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1C ZINC000247146294 432206188 /nfs/dbraw/zinc/20/61/88/432206188.db2.gz ZZFBPCWXSZNPEI-ZWKOTPCHSA-N 1 0 304.478 3.487 10 0 DGAERO CSc1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247378040 432226279 /nfs/dbraw/zinc/22/62/79/432226279.db2.gz TVXVMVCDBAPNJM-OCCSQVGLSA-N 1 0 305.447 3.109 10 0 DGAERO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247397767 432226748 /nfs/dbraw/zinc/22/67/48/432226748.db2.gz YBRSZDSAYVPHSE-QWHCGFSZSA-N 1 0 306.360 3.030 10 0 DGAERO Cc1c2ccccc2oc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247398663 432228075 /nfs/dbraw/zinc/22/80/75/432228075.db2.gz MMEYBCFRKNHPJZ-JSGCOSHPSA-N 1 0 300.402 3.296 10 0 DGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCN(C)c1ccccc1 ZINC000131500984 196175140 /nfs/dbraw/zinc/17/51/40/196175140.db2.gz NCPBFUOPHJXBLH-SFHVURJKSA-N 1 0 312.461 3.310 10 0 DGAERO CC[C@@H](NC1CC[NH+](CC2CCCC2)CC1)c1nccn1C ZINC000182680106 432217582 /nfs/dbraw/zinc/21/75/82/432217582.db2.gz AFPPICXNRVTTMI-QGZVFWFLSA-N 1 0 304.482 3.115 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000131524164 196177186 /nfs/dbraw/zinc/17/71/86/196177186.db2.gz BUZNPMNEIYZYBM-AWEZNQCLSA-N 1 0 321.490 3.068 10 0 DGAERO CSCc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247277617 432218885 /nfs/dbraw/zinc/21/88/85/432218885.db2.gz YKGUTGKULURLSV-CJNGLKHVSA-N 1 0 319.474 3.250 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000247272990 432218912 /nfs/dbraw/zinc/21/89/12/432218912.db2.gz JYWDGJHSFGLMFF-USCDJENESA-N 1 0 304.478 3.048 10 0 DGAERO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)CCc2ccccc2)C1 ZINC000247309759 432222312 /nfs/dbraw/zinc/22/23/12/432222312.db2.gz LVNLDPQMJNVYIV-NUJGCVRESA-N 1 0 317.477 3.036 10 0 DGAERO Cc1c2ccccc2oc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247333256 432222739 /nfs/dbraw/zinc/22/27/39/432222739.db2.gz NBWTZOKCSFEORB-DOMZBBRYSA-N 1 0 300.402 3.200 10 0 DGAERO CCCCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247342713 432223661 /nfs/dbraw/zinc/22/36/61/432223661.db2.gz JGLVXKGLMHVQAF-RDJZCZTQSA-N 1 0 318.461 3.420 10 0 DGAERO CSc1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000172617938 432223824 /nfs/dbraw/zinc/22/38/24/432223824.db2.gz STZJAIDZCDQWBJ-UHFFFAOYSA-N 1 0 314.454 3.400 10 0 DGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)[C@@H](C)CO ZINC000131756507 196196615 /nfs/dbraw/zinc/19/66/15/196196615.db2.gz ITGBKYRAFBNKDK-XQQFMLRXSA-N 1 0 301.377 3.216 10 0 DGAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)cn1 ZINC000131867774 196205397 /nfs/dbraw/zinc/20/53/97/196205397.db2.gz NQKGMVSSYSVDGX-QGZVFWFLSA-N 1 0 311.429 3.471 10 0 DGAERO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)ccc1OC ZINC000131873833 196206115 /nfs/dbraw/zinc/20/61/15/196206115.db2.gz MNDUAOKOZVSSJT-INIZCTEOSA-N 1 0 315.417 3.165 10 0 DGAERO C[C@@H](C[NH2+]Cc1ccnc(-n2cccn2)c1)Cc1ccccc1 ZINC000132970288 196300608 /nfs/dbraw/zinc/30/06/08/196300608.db2.gz VLEKYARGZMIXMD-MRXNPFEDSA-N 1 0 306.413 3.236 10 0 DGAERO CC[C@H]([NH2+]C[C@H](O)COc1cc(C)cc(C)c1)c1nccs1 ZINC000134237578 196372564 /nfs/dbraw/zinc/37/25/64/196372564.db2.gz FUSOJSXSMIJEGI-HOCLYGCPSA-N 1 0 320.458 3.241 10 0 DGAERO CC[C@H]([NH2+]C[C@H](O)COc1ccc(C)cc1C)c1nccs1 ZINC000134237703 196373068 /nfs/dbraw/zinc/37/30/68/196373068.db2.gz XLOWKIZBCBBCAQ-GJZGRUSLSA-N 1 0 320.458 3.241 10 0 DGAERO C[N@H+](Cc1csc(Br)c1)[C@@H](CO)C(C)(C)C ZINC000134414380 196388466 /nfs/dbraw/zinc/38/84/66/196388466.db2.gz ABZHLUXUTWVWOI-JTQLQIEISA-N 1 0 306.269 3.349 10 0 DGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1Cl ZINC000134508423 196397929 /nfs/dbraw/zinc/39/79/29/196397929.db2.gz SYDKEVKGNZDSOV-UHFFFAOYSA-N 1 0 304.752 3.012 10 0 DGAERO c1nnc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000295733183 225174307 /nfs/dbraw/zinc/17/43/07/225174307.db2.gz WLFPWZWSYHRAEZ-UHFFFAOYSA-N 1 0 314.458 3.031 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(F)c(Br)c1 ZINC000154525800 227100899 /nfs/dbraw/zinc/10/08/99/227100899.db2.gz SXIZMVMNZRYGIR-JQWIXIFHSA-N 1 0 315.230 3.333 10 0 DGAERO c1ccc(COc2ccc(CC[NH2+]Cc3cncnc3)cc2)cc1 ZINC000171131884 228269742 /nfs/dbraw/zinc/26/97/42/228269742.db2.gz HFALDQNCRKQXMT-UHFFFAOYSA-N 1 0 319.408 3.388 10 0 DGAERO Cc1ccccc1NC(=O)CC[N@@H+](C(C)C)C1CCOCC1 ZINC000173517411 228281592 /nfs/dbraw/zinc/28/15/92/228281592.db2.gz OHFSNXVZJNUTIT-UHFFFAOYSA-N 1 0 304.434 3.213 10 0 DGAERO Cc1ccccc1CCC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000175904649 228306685 /nfs/dbraw/zinc/30/66/85/228306685.db2.gz VRVYJRQNOHLEEM-LJQANCHMSA-N 1 0 324.472 3.318 10 0 DGAERO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000178189790 228337323 /nfs/dbraw/zinc/33/73/23/228337323.db2.gz ZNVKTRCHONZKFW-SJLPKXTDSA-N 1 0 310.445 3.413 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)cc1F ZINC000181374286 228361781 /nfs/dbraw/zinc/36/17/81/228361781.db2.gz GIUWWNKQSIQCAO-LLVKDONJSA-N 1 0 321.783 3.472 10 0 DGAERO c1ccc(CN2CC[C@@H]([N@@H+]3CCOC[C@@H](C4CCC4)C3)C2)cc1 ZINC000298149839 228382656 /nfs/dbraw/zinc/38/26/56/228382656.db2.gz RLNHDXXUHVSDBI-VQTJNVASSA-N 1 0 314.473 3.009 10 0 DGAERO c1[nH]nc2cc(C[N@@H+]3CC[C@@H](n4cnc5c4CCCC5)C3)ccc12 ZINC000299750939 229394183 /nfs/dbraw/zinc/39/41/83/229394183.db2.gz OVFRLGKEZULNNA-MRXNPFEDSA-N 1 0 321.428 3.085 10 0 DGAERO COc1cc2c(cc1F)ncnc2N[C@H](C)C(C)(C)C[NH+](C)C ZINC000302572327 230303363 /nfs/dbraw/zinc/30/33/63/230303363.db2.gz PXPLLOKOGFMJKN-LLVKDONJSA-N 1 0 320.412 3.166 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC000184960991 263622743 /nfs/dbraw/zinc/62/27/43/263622743.db2.gz KFIPQUAFJKRJJU-CVEARBPZSA-N 1 0 315.461 3.059 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc(C)cc2C)C12CCOCC2 ZINC000186279222 263653092 /nfs/dbraw/zinc/65/30/92/263653092.db2.gz LPAOFMRKFRBTOB-MOPGFXCFSA-N 1 0 317.473 3.410 10 0 DGAERO Cc1ccc2ncnc(N3CCC[C@H]3C[NH+]3CCCCC3)c2c1 ZINC000189070111 263709585 /nfs/dbraw/zinc/70/95/85/263709585.db2.gz XIAMCLLMKJLJFZ-INIZCTEOSA-N 1 0 310.445 3.393 10 0 DGAERO Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC000227769601 263841401 /nfs/dbraw/zinc/84/14/01/263841401.db2.gz LAWDFSJQDDXSDW-SNVBAGLBSA-N 1 0 313.467 3.153 10 0 DGAERO c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@@H](OCc3ccncc3)C1)C2 ZINC000347113839 264158795 /nfs/dbraw/zinc/15/87/95/264158795.db2.gz ULKBGABJWNHFSC-GHTZIAJQSA-N 1 0 322.452 3.478 10 0 DGAERO c1ccc(CN2CCC[N@@H+](CC[C@@H]3CCCCO3)CC2)cc1 ZINC000347393486 264213283 /nfs/dbraw/zinc/21/32/83/264213283.db2.gz NWCYEOIQLQFAKF-IBGZPJMESA-N 1 0 302.462 3.154 10 0 DGAERO CC[C@H](C)[N@H+](CCO)Cc1ccc(Br)c(F)c1 ZINC000347468550 264225901 /nfs/dbraw/zinc/22/59/01/264225901.db2.gz FQDFWDOXYBXOEC-JTQLQIEISA-N 1 0 304.203 3.181 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000347488557 264228927 /nfs/dbraw/zinc/22/89/27/264228927.db2.gz ROUHJFIMIATZOU-MRXNPFEDSA-N 1 0 324.509 3.352 10 0 DGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+](C)CCOCCO ZINC000348286367 264382741 /nfs/dbraw/zinc/38/27/41/264382741.db2.gz ZOPVZCSYDYXXKM-JLHYYAGUSA-N 1 0 317.351 3.049 10 0 DGAERO CC(=O)N1CC[C@H]([NH2+]CCC2(F)CCC2)c2ccccc2C1 ZINC000348316548 264388969 /nfs/dbraw/zinc/38/89/69/264388969.db2.gz CZQVEVOWXFJOKI-KRWDZBQOSA-N 1 0 304.409 3.352 10 0 DGAERO C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CC1(C)C ZINC000352604787 265101642 /nfs/dbraw/zinc/10/16/42/265101642.db2.gz CARIBBCHQNSLQV-PWSUYJOCSA-N 1 0 300.244 3.060 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](Cc2ccncc2)CC1 ZINC000352653096 265118416 /nfs/dbraw/zinc/11/84/16/265118416.db2.gz UTFKKANQZDMJQO-UHFFFAOYSA-N 1 0 307.441 3.356 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000352882229 265213683 /nfs/dbraw/zinc/21/36/83/265213683.db2.gz LAIGJOJAYFLBMN-ZDUSSCGKSA-N 1 0 304.203 3.085 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(F)cc1Br ZINC000352912057 265226333 /nfs/dbraw/zinc/22/63/33/265226333.db2.gz MHGYLKYUQQMDBS-CYBMUJFWSA-N 1 0 304.203 3.085 10 0 DGAERO Cc1nocc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000353203040 265341050 /nfs/dbraw/zinc/34/10/50/265341050.db2.gz QDWCMSNPHXZSCJ-UHFFFAOYSA-N 1 0 304.365 3.303 10 0 DGAERO Cc1c([C@@H](C)[NH2+]Cc2cccnc2N(C)C)cnn1C(C)C ZINC000191171924 432230052 /nfs/dbraw/zinc/23/00/52/432230052.db2.gz ITDKWYLFQHRSMG-CYBMUJFWSA-N 1 0 301.438 3.084 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247446993 432230240 /nfs/dbraw/zinc/23/02/40/432230240.db2.gz YLWNNFJPXVRVGP-BZUAXINKSA-N 1 0 310.482 3.009 10 0 DGAERO C[C@H]1C[C@H](CCN2CC[NH+](C3CCOCC3)CC2)C[C@@H](C)C1 ZINC000247460519 432231861 /nfs/dbraw/zinc/23/18/61/432231861.db2.gz UJLHAGPPZOMQHT-PIIMJCKOSA-N 1 0 308.510 3.245 10 0 DGAERO Cc1cccc(C)c1NC(=O)CCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191186170 432232139 /nfs/dbraw/zinc/23/21/39/432232139.db2.gz FIGFHVOKGRAUEI-HZPDHXFCSA-N 1 0 318.461 3.256 10 0 DGAERO c1cc(CC[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc2c1OCC2 ZINC000355749806 266173487 /nfs/dbraw/zinc/17/34/87/266173487.db2.gz SUWFPKSQJQKXKX-LJQANCHMSA-N 1 0 301.430 3.057 10 0 DGAERO c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000355901961 266224785 /nfs/dbraw/zinc/22/47/85/266224785.db2.gz AOYQEBRZBXCPAN-UFYCRDLUSA-N 1 0 314.473 3.009 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[N@@H+](C)CC1(CO)CC1 ZINC000356381625 266375204 /nfs/dbraw/zinc/37/52/04/266375204.db2.gz ADFWOMFJNJKNRL-LCYFTJDESA-N 1 0 311.372 3.396 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000247476063 432233289 /nfs/dbraw/zinc/23/32/89/432233289.db2.gz SJIYDOBNTPTUQC-NGFQHRJXSA-N 1 0 322.399 3.009 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000151264917 432233793 /nfs/dbraw/zinc/23/37/93/432233793.db2.gz ZTQPKHFIRBBSOU-ATZDWAIDSA-N 1 0 314.473 3.372 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000247480358 432234125 /nfs/dbraw/zinc/23/41/25/432234125.db2.gz UKJCKORSRSPFQV-IAGOWNOFSA-N 1 0 317.477 3.337 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ccc(C)cc3[nH]2)[C@@H](C)C1 ZINC000247492673 432236484 /nfs/dbraw/zinc/23/64/84/432236484.db2.gz ULCOIAAPIFOXQV-KSSFIOAISA-N 1 0 313.445 3.279 10 0 DGAERO Cc1cc(F)cc2[nH]c(C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)cc21 ZINC000151281851 432235088 /nfs/dbraw/zinc/23/50/88/432235088.db2.gz VRROPQOJHALZLW-KRWDZBQOSA-N 1 0 317.408 3.028 10 0 DGAERO CCCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000247498691 432236025 /nfs/dbraw/zinc/23/60/25/432236025.db2.gz UUQQJMUFIJZQHK-CRAIPNDOSA-N 1 0 302.462 3.441 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000247541771 432240182 /nfs/dbraw/zinc/24/01/82/432240182.db2.gz YMKIVKWHPFUWNN-PBHICJAKSA-N 1 0 300.446 3.293 10 0 DGAERO CCSCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247564219 432241796 /nfs/dbraw/zinc/24/17/96/432241796.db2.gz ZVTPZBKEWBDZNF-WMLDXEAASA-N 1 0 320.502 3.494 10 0 DGAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000247594784 432242656 /nfs/dbraw/zinc/24/26/56/432242656.db2.gz SAVSIXAGMPGVDB-JKSUJKDBSA-N 1 0 321.852 3.281 10 0 DGAERO CCc1ccc2c(C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)cc(=O)oc2c1 ZINC000191282499 432244276 /nfs/dbraw/zinc/24/42/76/432244276.db2.gz YJZQHGCVLVVXAE-STQMWFEESA-N 1 0 315.413 3.089 10 0 DGAERO Cc1nc2n(n1)CCC[C@H]2NCc1ccc(OCC2CC2)cc1 ZINC000191297661 432246537 /nfs/dbraw/zinc/24/65/37/432246537.db2.gz BDIOEBGPOHLRNQ-QGZVFWFLSA-N 1 0 312.417 3.000 10 0 DGAERO CC[C@@H](NC(=O)CN1CCOCC[C@H]1C)c1ccc(Cl)cc1 ZINC000367663351 271059727 /nfs/dbraw/zinc/05/97/27/271059727.db2.gz QGFSJSNXHQGWDQ-CZUORRHYSA-N 1 0 324.852 3.018 10 0 DGAERO Cc1nccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000370561532 271369158 /nfs/dbraw/zinc/36/91/58/271369158.db2.gz MNOBFMNMGIBHMX-SJORKVTESA-N 1 0 315.417 3.246 10 0 DGAERO O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC000370565416 271369919 /nfs/dbraw/zinc/36/99/19/271369919.db2.gz KAUAWTHJHPSOEN-MRXNPFEDSA-N 1 0 304.821 3.498 10 0 DGAERO Clc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000371407703 271439945 /nfs/dbraw/zinc/43/99/45/271439945.db2.gz RYTVFAMHMUQIHZ-NHYWBVRUSA-N 1 0 316.228 3.421 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000372097420 271508840 /nfs/dbraw/zinc/50/88/40/271508840.db2.gz ZHWIUQMXNAWZNN-JVPBZIDWSA-N 1 0 303.446 3.421 10 0 DGAERO Cc1ccccc1CCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247914003 432253775 /nfs/dbraw/zinc/25/37/75/432253775.db2.gz ARFHDDHXKYEGEL-FPOVZHCZSA-N 1 0 322.452 3.489 10 0 DGAERO C[C@]1(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CCCO1 ZINC000270530675 432254953 /nfs/dbraw/zinc/25/49/53/432254953.db2.gz VLUGJXPXGJVMFO-LJQANCHMSA-N 1 0 323.396 3.109 10 0 DGAERO Brc1cc2c(s1)CC[C@@H]2N[C@@H]1CCCC[NH2+]C1 ZINC000423571515 273473106 /nfs/dbraw/zinc/47/31/06/273473106.db2.gz XQNGHLANPLEKGY-KOLCDFICSA-N 1 0 315.280 3.230 10 0 DGAERO CC1(C)CN(C(=O)c2ccc3ccc(Cl)cc3n2)CC[C@H]1[NH3+] ZINC000262088459 273583511 /nfs/dbraw/zinc/58/35/11/273583511.db2.gz UHGJPLQXYCCBPR-OAHLLOKOSA-N 1 0 317.820 3.088 10 0 DGAERO COc1c(C)cnc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1C ZINC000186667833 274089208 /nfs/dbraw/zinc/08/92/08/274089208.db2.gz ICSCCPGEFALDRG-HXUWFJFHSA-N 1 0 324.424 3.338 10 0 DGAERO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000172168383 274107598 /nfs/dbraw/zinc/10/75/98/274107598.db2.gz ASUSMLBSSSCUHJ-ZIAGYGMSSA-N 1 0 304.434 3.499 10 0 DGAERO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)c1nc(C)cs1)CO2 ZINC000453081623 274125699 /nfs/dbraw/zinc/12/56/99/274125699.db2.gz APDRVHCWTUKZTE-WCQYABFASA-N 1 0 304.415 3.114 10 0 DGAERO CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000154273377 274183696 /nfs/dbraw/zinc/18/36/96/274183696.db2.gz JGJXSKIJRVUVMC-FRFSOERESA-N 1 0 309.475 3.219 10 0 DGAERO C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CC1 ZINC000177217601 274244353 /nfs/dbraw/zinc/24/43/53/274244353.db2.gz VATYOGVSRCBGEF-LLVKDONJSA-N 1 0 313.367 3.457 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)C1CCCC1 ZINC000184612466 274244751 /nfs/dbraw/zinc/24/47/51/274244751.db2.gz JXQLMEVRUIHMMY-CYBMUJFWSA-N 1 0 304.459 3.294 10 0 DGAERO C[C@@H]1CC[C@H](C)C[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000189058056 274314281 /nfs/dbraw/zinc/31/42/81/274314281.db2.gz IHUXJOJGUMYXJY-JKSUJKDBSA-N 1 0 300.446 3.082 10 0 DGAERO C[C@@H]1CC[C@H](NC[C@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000151314938 274318131 /nfs/dbraw/zinc/31/81/31/274318131.db2.gz RHYMDQLUDFDRFZ-GJYPPUQNSA-N 1 0 302.462 3.061 10 0 DGAERO C[C@@H]1CN([C@H]2CCc3cc(Br)ccc32)C[C@@]1(C)C[NH3+] ZINC000311421577 274359827 /nfs/dbraw/zinc/35/98/27/274359827.db2.gz DZVYQIDPMNMBOV-XFBWCDHKSA-N 1 0 323.278 3.353 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000278493868 274379869 /nfs/dbraw/zinc/37/98/69/274379869.db2.gz LDUWMHMHNSDCIN-LYRGGWFBSA-N 1 0 324.262 3.321 10 0 DGAERO C[C@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)[C@@H](C[NH3+])C1 ZINC000261816232 274561858 /nfs/dbraw/zinc/56/18/58/274561858.db2.gz AFTDZGSYXWXYCW-BLLLJJGKSA-N 1 0 303.381 3.040 10 0 DGAERO c1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)no1 ZINC000247992976 432258980 /nfs/dbraw/zinc/25/89/80/432258980.db2.gz JPKKTJAUKBBNNW-PKOBYXMFSA-N 1 0 311.429 3.161 10 0 DGAERO Cc1ccc(NC(=O)C2([NH3+])Cc3ccccc3C2)c(Cl)c1 ZINC000163455216 274750609 /nfs/dbraw/zinc/75/06/09/274750609.db2.gz BIHQFBVEJADXJS-UHFFFAOYSA-N 1 0 300.789 3.083 10 0 DGAERO COc1ccc(OCCC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000247975679 432259546 /nfs/dbraw/zinc/25/95/46/432259546.db2.gz HTNVNUQFMQONIJ-LPHOPBHVSA-N 1 0 319.445 3.091 10 0 DGAERO CCc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)o1 ZINC000247988685 432259970 /nfs/dbraw/zinc/25/99/70/432259970.db2.gz IUYBBKIRBKMQLI-SJORKVTESA-N 1 0 312.413 3.326 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000262601342 274963215 /nfs/dbraw/zinc/96/32/15/274963215.db2.gz CRSYBWRZMJUUQH-STQMWFEESA-N 1 0 302.393 3.112 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000249263860 275052942 /nfs/dbraw/zinc/05/29/42/275052942.db2.gz HTMQESAHOXGPLP-QLFBSQMISA-N 1 0 310.235 3.330 10 0 DGAERO c1ccc(N2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)nc1 ZINC000124345685 275067536 /nfs/dbraw/zinc/06/75/36/275067536.db2.gz VVOVMKHSILBEEX-LJQANCHMSA-N 1 0 307.441 3.198 10 0 DGAERO c1ccc([C@@H]2CCC[N@H+]2CCc2nnnn2-c2ccccc2)cc1 ZINC000338358311 275068156 /nfs/dbraw/zinc/06/81/56/275068156.db2.gz WOSXQVSGVIUDHT-SFHVURJKSA-N 1 0 319.412 3.042 10 0 DGAERO CC(C)(C)c1n[nH]cc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000092785766 275538471 /nfs/dbraw/zinc/53/84/71/275538471.db2.gz GOMDEPXIANSCDV-MRXNPFEDSA-N 1 0 304.482 3.158 10 0 DGAERO CC(C)[NH2+][C@@H]1CCOC[C@H]1Cc1ccc(Br)cc1 ZINC000095088419 275657192 /nfs/dbraw/zinc/65/71/92/275657192.db2.gz OGVUDYHRUYOMCG-UKRRQHHQSA-N 1 0 312.251 3.395 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000250116538 275747014 /nfs/dbraw/zinc/74/70/14/275747014.db2.gz UNGCENFRIWVDLN-XDKFSHSGSA-N 1 0 300.446 3.028 10 0 DGAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2ccc(F)cc2O1 ZINC000090455271 275862079 /nfs/dbraw/zinc/86/20/79/275862079.db2.gz UECAZMUTMFPNQJ-CZUORRHYSA-N 1 0 315.392 3.298 10 0 DGAERO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000191067322 275908294 /nfs/dbraw/zinc/90/82/94/275908294.db2.gz KJTAGQZKPFMKMX-SJLPKXTDSA-N 1 0 314.477 3.370 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1cccs1)C1CC1 ZINC000079253799 276115910 /nfs/dbraw/zinc/11/59/10/276115910.db2.gz ZAFCRSFHEQIWGE-CYBMUJFWSA-N 1 0 309.479 3.152 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCCc2sccc21 ZINC000248780134 276168774 /nfs/dbraw/zinc/16/87/74/276168774.db2.gz ZVEXKBDCHYEGOP-HIFRSBDPSA-N 1 0 321.490 3.251 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000245439115 276169122 /nfs/dbraw/zinc/16/91/22/276169122.db2.gz ZCLYTKKWSZHKCL-RDBSUJKOSA-N 1 0 322.399 3.011 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nccc(C)c1Br ZINC000233468518 276170469 /nfs/dbraw/zinc/17/04/69/276170469.db2.gz MZQASQOHHRYFSS-GFCCVEGCSA-N 1 0 312.255 3.073 10 0 DGAERO CCC(CC)n1ncc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000128239259 276213585 /nfs/dbraw/zinc/21/35/85/276213585.db2.gz KSKKFHVTHSJWPD-GUYCJALGSA-N 1 0 320.481 3.011 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCc3occc32)[C@H](C)C1 ZINC000128410916 276222559 /nfs/dbraw/zinc/22/25/59/276222559.db2.gz YCTYHQCYWDCGPH-BMFZPTHFSA-N 1 0 319.449 3.029 10 0 DGAERO CCCOc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)c1 ZINC000247071752 276267455 /nfs/dbraw/zinc/26/74/55/276267455.db2.gz YHZRNHQUPXRGAD-SJORKVTESA-N 1 0 316.445 3.174 10 0 DGAERO CCC[C@@H]1CN(C(=O)[C@@H]2CCCCC2(C)C)CC[N@@H+]1CCOC ZINC000469265819 276275464 /nfs/dbraw/zinc/27/54/64/276275464.db2.gz ORSKNWLNVJOMJM-SJORKVTESA-N 1 0 324.509 3.162 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2scnc2c1 ZINC000171374636 276336000 /nfs/dbraw/zinc/33/60/00/276336000.db2.gz FRCYRXKQZMCYET-NSHDSACASA-N 1 0 306.435 3.148 10 0 DGAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733137 276515336 /nfs/dbraw/zinc/51/53/36/276515336.db2.gz XXRCCDSFCOWPAD-VQHPVUNQSA-N 1 0 302.466 3.250 10 0 DGAERO CC[C@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc(F)cc1F ZINC000183580008 276635291 /nfs/dbraw/zinc/63/52/91/276635291.db2.gz UGWBWONQBBPBMK-HNNXBMFYSA-N 1 0 319.355 3.307 10 0 DGAERO CC[C@H]1CCC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000077856614 276651627 /nfs/dbraw/zinc/65/16/27/276651627.db2.gz WNHYUNHVQMZVEL-JKSUJKDBSA-N 1 0 307.482 3.225 10 0 DGAERO C[NH+]1CCC(Cc2nc(C34CC5CC(CC(C5)C3)C4)no2)CC1 ZINC000490396518 276885897 /nfs/dbraw/zinc/88/58/97/276885897.db2.gz DJLRAPFITMLETA-UHFFFAOYSA-N 1 0 315.461 3.422 10 0 DGAERO CC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452450208 276955134 /nfs/dbraw/zinc/95/51/34/276955134.db2.gz GNVMXGXDCASLNS-SFHVURJKSA-N 1 0 300.446 3.156 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2Cc3ccccc3C2)[C@H]1c1ccccc1 ZINC000245651058 277136333 /nfs/dbraw/zinc/13/63/33/277136333.db2.gz MYGGMTDNXGDRJU-RTBURBONSA-N 1 0 321.424 3.157 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000246052741 277155402 /nfs/dbraw/zinc/15/54/02/277155402.db2.gz XMBZPOFNPQMFFU-SWLSCSKDSA-N 1 0 307.825 3.288 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000180184233 277165116 /nfs/dbraw/zinc/16/51/16/277165116.db2.gz HZMUNDDQIZAOGN-ICSRJNTNSA-N 1 0 308.425 3.181 10 0 DGAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000246829146 277272012 /nfs/dbraw/zinc/27/20/12/277272012.db2.gz BAHRJWGKQQQOOK-MCIONIFRSA-N 1 0 306.454 3.064 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091345671 277367827 /nfs/dbraw/zinc/36/78/27/277367827.db2.gz OYXFLVFNQFGIDS-KSSFIOAISA-N 1 0 303.450 3.411 10 0 DGAERO COC(=O)[C@@]12CCC[C@H]1CN(c1cc[nH+]c3cc(F)ccc31)C2 ZINC000302148645 277379064 /nfs/dbraw/zinc/37/90/64/277379064.db2.gz HFNDAPHIUUXVBY-KPZWWZAWSA-N 1 0 314.360 3.153 10 0 DGAERO COC1([C@@H](C)[NH2+]C[C@@H]2CSc3ccccc32)CCOCC1 ZINC000453213439 277472220 /nfs/dbraw/zinc/47/22/20/277472220.db2.gz CAAHFRILBIAXTK-ZIAGYGMSSA-N 1 0 307.459 3.050 10 0 DGAERO COCCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000183601536 277494712 /nfs/dbraw/zinc/49/47/12/277494712.db2.gz MJVBDTSUOIWKBV-CVEARBPZSA-N 1 0 324.509 3.066 10 0 DGAERO Brc1cccnc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000342197612 277667471 /nfs/dbraw/zinc/66/74/71/277667471.db2.gz FEZZOQCBDQYRSU-ZDUSSCGKSA-N 1 0 324.266 3.299 10 0 DGAERO CC(C)[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000091405730 277760008 /nfs/dbraw/zinc/76/00/08/277760008.db2.gz UETOMFHDDSDQLI-CABCVRRESA-N 1 0 318.244 3.432 10 0 DGAERO COc1c(C)cnc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1C ZINC000128352379 277785540 /nfs/dbraw/zinc/78/55/40/277785540.db2.gz MBLVAJOETCTKCG-WBVHZDCISA-N 1 0 314.433 3.177 10 0 DGAERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn(C)nc1C(C)(C)C ZINC000475277952 278076438 /nfs/dbraw/zinc/07/64/38/278076438.db2.gz ZTAOSAPPPLZQGM-PWSUYJOCSA-N 1 0 303.372 3.490 10 0 DGAERO CSCC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000268737342 278130736 /nfs/dbraw/zinc/13/07/36/278130736.db2.gz WIRQFJFPKXJJKM-NSHDSACASA-N 1 0 302.237 3.225 10 0 DGAERO C[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1F ZINC000108973492 278138637 /nfs/dbraw/zinc/13/86/37/278138637.db2.gz BNDYIZSPKBVLGM-JKSUJKDBSA-N 1 0 318.436 3.406 10 0 DGAERO C[C@H](CC(=O)N1CCCC[C@H]1c1nccs1)[C@H]1CCC[NH2+]C1 ZINC000246216555 278162320 /nfs/dbraw/zinc/16/23/20/278162320.db2.gz GJCJMMNAPHJBFW-ILXRZTDVSA-N 1 0 321.490 3.223 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000232823134 278221167 /nfs/dbraw/zinc/22/11/67/278221167.db2.gz MFRXQQODNNXZBA-IJLUTSLNSA-N 1 0 306.372 3.002 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000154619095 278233969 /nfs/dbraw/zinc/23/39/69/278233969.db2.gz CELRXXMGJSNHLT-BRWVUGGUSA-N 1 0 324.509 3.256 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC12CCCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000189089599 278280683 /nfs/dbraw/zinc/28/06/83/278280683.db2.gz ZJNYWGJRKFBOSD-BBRMVZONSA-N 1 0 307.459 3.464 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1cnn(C)c1 ZINC000245592441 278282630 /nfs/dbraw/zinc/28/26/30/278282630.db2.gz LTIXGINTCXFIPX-ZLIFDBKOSA-N 1 0 318.852 3.170 10 0 DGAERO C[C@H]1CC([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@H](C)C1 ZINC000328627212 278326641 /nfs/dbraw/zinc/32/66/41/278326641.db2.gz FVYWMVLUKPNSSY-RRIFGTCXSA-N 1 0 301.478 3.489 10 0 DGAERO C[C@H]1CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)[C@@H](C[NH3+])C1 ZINC000261637391 278363054 /nfs/dbraw/zinc/36/30/54/278363054.db2.gz ANAQFSGLCKCIDS-KBXCAEBGSA-N 1 0 320.436 3.457 10 0 DGAERO C[C@@H]1CCN(C(=O)CSC(=[NH2+])N(C)C)c2ccccc2S1 ZINC000029581687 278531157 /nfs/dbraw/zinc/53/11/57/278531157.db2.gz JTEKGIDJPPFFQX-LLVKDONJSA-N 1 0 323.487 3.133 10 0 DGAERO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)[C@H]1CCCO1 ZINC000246376502 288081134 /nfs/dbraw/zinc/08/11/34/288081134.db2.gz JUFLAILRTRWZQU-HNJNHCNJSA-N 1 0 320.433 3.262 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000278745698 278854851 /nfs/dbraw/zinc/85/48/51/278854851.db2.gz WWOAASYCVZFVMH-KMUNFCNLSA-N 1 0 310.235 3.451 10 0 DGAERO O=C1CCCN1CC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000108236022 431129611 /nfs/dbraw/zinc/12/96/11/431129611.db2.gz YNHJFDRTRBZYFE-UHFFFAOYSA-N 1 0 300.446 3.444 10 0 DGAERO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cc1ccccc1)c1ccccc1 ZINC000068385386 431126782 /nfs/dbraw/zinc/12/67/82/431126782.db2.gz ZYSFPCHTVZWBRO-MRXNPFEDSA-N 1 0 310.441 3.475 10 0 DGAERO Cc1csc2nc(C)nc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c12 ZINC000274680979 279048943 /nfs/dbraw/zinc/04/89/43/279048943.db2.gz IICKKTWWGJLEJJ-UONOGXRCSA-N 1 0 316.474 3.229 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)N[C@H](C)c1nc2ccccc2n1C ZINC000123107867 279133946 /nfs/dbraw/zinc/13/39/46/279133946.db2.gz YFCIUXTYYYMLFZ-HUUCEWRRSA-N 1 0 302.466 3.200 10 0 DGAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000246002983 279248338 /nfs/dbraw/zinc/24/83/38/279248338.db2.gz SBZAEGOSNZYWKR-HFTRVMKXSA-N 1 0 318.461 3.142 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000069142843 431165108 /nfs/dbraw/zinc/16/51/08/431165108.db2.gz CWSUWYOFQWVYAR-SUMWQHHRSA-N 1 0 303.427 3.068 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000069380479 431182575 /nfs/dbraw/zinc/18/25/75/431182575.db2.gz OGTVFWRRNFOSHV-GFCCVEGCSA-N 1 0 321.852 3.210 10 0 DGAERO COc1cc(C[NH2+]CCCSC)cc(Br)c1O ZINC000069432991 431186292 /nfs/dbraw/zinc/18/62/92/431186292.db2.gz HMTMOVZRJUPQCV-UHFFFAOYSA-N 1 0 320.252 3.006 10 0 DGAERO C[N@H+](CCCNC(=O)CCc1ccccc1O)C1CCCCC1 ZINC000069500807 431193825 /nfs/dbraw/zinc/19/38/25/431193825.db2.gz AQZJXNHFBDNNSS-UHFFFAOYSA-N 1 0 318.461 3.096 10 0 DGAERO C[C@@H](CNC(=O)c1ccc2nc(Cl)ccc2c1)[N@H+](C)C1CC1 ZINC000069533931 431194874 /nfs/dbraw/zinc/19/48/74/431194874.db2.gz RGOWNEIJQLIHAF-NSHDSACASA-N 1 0 317.820 3.101 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000250128587 279526113 /nfs/dbraw/zinc/52/61/13/279526113.db2.gz WPMNIGXSRZAZRL-RUGDWHBFSA-N 1 0 314.429 3.032 10 0 DGAERO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000070091150 431239398 /nfs/dbraw/zinc/23/93/98/431239398.db2.gz WWNGCYVOTAPULG-ZIAGYGMSSA-N 1 0 302.447 3.166 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070575884 431252954 /nfs/dbraw/zinc/25/29/54/431252954.db2.gz QREWCWQJHMYXGG-CMPLNLGQSA-N 1 0 315.244 3.469 10 0 DGAERO O[C@@](CO[C@H]1C[NH+]2CCC1CC2)(c1ccccc1)C1CCCC1 ZINC000006116327 431316377 /nfs/dbraw/zinc/31/63/77/431316377.db2.gz GTKRIWMDLNOSLI-PMACEKPBSA-N 1 0 315.457 3.175 10 0 DGAERO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1)CC1CC1 ZINC000112983781 431320766 /nfs/dbraw/zinc/32/07/66/431320766.db2.gz DCKGCLFVPCDUSG-GOSISDBHSA-N 1 0 316.445 3.091 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000072027726 431326749 /nfs/dbraw/zinc/32/67/49/431326749.db2.gz GEHBBZMDEZXINY-UHFFFAOYSA-N 1 0 320.436 3.424 10 0 DGAERO CCOc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1C ZINC000113146327 431333069 /nfs/dbraw/zinc/33/30/69/431333069.db2.gz YDKQFAUOILSCIM-UHFFFAOYSA-N 1 0 316.445 3.094 10 0 DGAERO CC(C)COc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113233814 431333915 /nfs/dbraw/zinc/33/39/15/431333915.db2.gz RSBJNMRTJOCYQZ-NVXWUHKLSA-N 1 0 316.445 3.030 10 0 DGAERO Cc1cc(C)n(-c2ccc(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)cc2)n1 ZINC000113270318 431339517 /nfs/dbraw/zinc/33/95/17/431339517.db2.gz ZLXIIFDJVOEVEF-FXAWDEMLSA-N 1 0 324.472 3.158 10 0 DGAERO CC[NH+](CC)CCCNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000072794754 431348294 /nfs/dbraw/zinc/34/82/94/431348294.db2.gz NEGHMHSICXYCHZ-UHFFFAOYSA-N 1 0 315.461 3.257 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2ccccc2n1C(F)F ZINC000113518395 431351540 /nfs/dbraw/zinc/35/15/40/431351540.db2.gz MBHDXPOWTZZTLL-QWHCGFSZSA-N 1 0 320.387 3.100 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCc1ccccc1F)c1cccc(Cl)c1 ZINC000007500336 431354231 /nfs/dbraw/zinc/35/42/31/431354231.db2.gz MWXFUVGFPDEYET-GFCCVEGCSA-N 1 0 320.795 3.446 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000072943714 431359369 /nfs/dbraw/zinc/35/93/69/431359369.db2.gz JNVFOVNNEPMONN-XKQJLSEDSA-N 1 0 317.433 3.094 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccccc1 ZINC000007817360 431363901 /nfs/dbraw/zinc/36/39/01/431363901.db2.gz YWANQONMYLQFAN-SFHVURJKSA-N 1 0 324.424 3.069 10 0 DGAERO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(C)cc2C[NH+](C)C)n1 ZINC000113911622 431364819 /nfs/dbraw/zinc/36/48/19/431364819.db2.gz UIFFRYDQRUPAAB-HNNXBMFYSA-N 1 0 314.433 3.070 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)CSc1ccccc1)c1ccccc1 ZINC000007817560 431365957 /nfs/dbraw/zinc/36/59/57/431365957.db2.gz ONQDIYNYQFTVRX-KRWDZBQOSA-N 1 0 314.454 3.198 10 0 DGAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114516766 431393442 /nfs/dbraw/zinc/39/34/42/431393442.db2.gz VFCXOMMXUFFLKD-IBGZPJMESA-N 1 0 317.477 3.145 10 0 DGAERO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114564079 431397381 /nfs/dbraw/zinc/39/73/81/431397381.db2.gz CXBOHBXYOZWAMC-AEFFLSMTSA-N 1 0 321.486 3.448 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@]3(CC=CCC3)C2)C1 ZINC000114573680 431397789 /nfs/dbraw/zinc/39/77/89/431397789.db2.gz SXRNXKYQKMKNKQ-MJGOQNOKSA-N 1 0 319.493 3.250 10 0 DGAERO CC(C)[C@@H]1CCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792141 431438027 /nfs/dbraw/zinc/43/80/27/431438027.db2.gz KBEICSXIKWUYKY-HMQMGEFJSA-N 1 0 307.482 3.222 10 0 DGAERO CN(CC1CCCC1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115695519 431470547 /nfs/dbraw/zinc/47/05/47/431470547.db2.gz NZZFZDHTFJORGH-UHFFFAOYSA-N 1 0 321.440 3.219 10 0 DGAERO C[C@H](CNC(=O)N1CCC[C@H]1c1ccco1)C[NH+]1CCCCC1 ZINC000116534838 431516795 /nfs/dbraw/zinc/51/67/95/431516795.db2.gz NRFYUXKMHSHWJU-CVEARBPZSA-N 1 0 319.449 3.248 10 0 DGAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1 ZINC000011754621 431481921 /nfs/dbraw/zinc/48/19/21/431481921.db2.gz YLFJRURITDVUHN-HNNXBMFYSA-N 1 0 313.788 3.330 10 0 DGAERO CSc1ccc(OCCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000075639170 431488380 /nfs/dbraw/zinc/48/83/80/431488380.db2.gz ZYDZXYSSPOSAGJ-UHFFFAOYSA-N 1 0 320.502 3.348 10 0 DGAERO COCC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)CC(C)C ZINC000075683998 431493810 /nfs/dbraw/zinc/49/38/10/431493810.db2.gz UIAPIKIWFMTIFN-UHFFFAOYSA-N 1 0 303.406 3.149 10 0 DGAERO CC(C)OC(=O)CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000075746157 431495127 /nfs/dbraw/zinc/49/51/27/431495127.db2.gz VTIJDYIRUVHQQK-UHFFFAOYSA-N 1 0 309.381 3.011 10 0 DGAERO Cn1cc([C@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)C2)cn1 ZINC000116318839 431503337 /nfs/dbraw/zinc/50/33/37/431503337.db2.gz KSARTHAVGLUVIM-LBPRGKRZSA-N 1 0 314.414 3.126 10 0 DGAERO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000075901269 431505504 /nfs/dbraw/zinc/50/55/04/431505504.db2.gz OKOWVKMIOJSDKF-JKIFEVAISA-N 1 0 309.425 3.385 10 0 DGAERO O[C@@H](COCc1ccccc1F)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404462 431510169 /nfs/dbraw/zinc/51/01/69/431510169.db2.gz VZHHAVWEENWVJY-NVXWUHKLSA-N 1 0 319.376 3.133 10 0 DGAERO Cc1ccc2c(n1)nc(-c1ccccc1)cc2N1CC[NH2+]CC1 ZINC000013579517 431561632 /nfs/dbraw/zinc/56/16/32/431561632.db2.gz ZVMUIZUYPSGHHR-UHFFFAOYSA-N 1 0 304.397 3.015 10 0 DGAERO Cc1ccc(N2CCC[N@@H+](C[C@@H](C)c3ccccc3)CC2)nn1 ZINC000116878759 431535284 /nfs/dbraw/zinc/53/52/84/431535284.db2.gz DOWJGVBZSNRALK-MRXNPFEDSA-N 1 0 310.445 3.101 10 0 DGAERO CCCn1cc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)cn1 ZINC000116915804 431538226 /nfs/dbraw/zinc/53/82/26/431538226.db2.gz IVNKFHDQXVPTTH-QGZVFWFLSA-N 1 0 316.449 3.121 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(C)cc2C)[C@H](C)C1 ZINC000076485070 431552582 /nfs/dbraw/zinc/55/25/82/431552582.db2.gz JZLMCNZRMUSPMG-IEBWSBKVSA-N 1 0 316.489 3.425 10 0 DGAERO CC(C)[C@@H]1N(C(=O)Nc2ncccc2C[NH3+])CC12CCCCC2 ZINC000333256589 280053181 /nfs/dbraw/zinc/05/31/81/280053181.db2.gz DGPGHFDCBWBMKZ-HNNXBMFYSA-N 1 0 316.449 3.363 10 0 DGAERO C[C@H]1c2cccc(Br)c2CCN1C[C@H]1CCC[NH2+]C1 ZINC000261825146 280124577 /nfs/dbraw/zinc/12/45/77/280124577.db2.gz IPHHCXBFATXVCP-STQMWFEESA-N 1 0 323.278 3.368 10 0 DGAERO CC(C)[C@H](CNC(=O)N1CCC12CCC2)[NH+]1CCC(C)CC1 ZINC000435577361 280242259 /nfs/dbraw/zinc/24/22/59/280242259.db2.gz JPKGJYAMSIYCAS-INIZCTEOSA-N 1 0 307.482 3.081 10 0 DGAERO CN(C)C(=O)C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000077247351 431575612 /nfs/dbraw/zinc/57/56/12/431575612.db2.gz FWPRBRMCIBXFMZ-UHFFFAOYSA-N 1 0 308.853 3.073 10 0 DGAERO CC1(C)CCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077512190 431602264 /nfs/dbraw/zinc/60/22/64/431602264.db2.gz YRFUESOGIOFZQV-UHFFFAOYSA-N 1 0 315.461 3.366 10 0 DGAERO CC(C)C[C@@H](CNC(=O)C[C@H]1CCOc2ccccc21)[NH+](C)C ZINC000117802500 431579815 /nfs/dbraw/zinc/57/98/15/431579815.db2.gz BMBFRIJXQDQQIB-CVEARBPZSA-N 1 0 318.461 3.035 10 0 DGAERO COc1ccc(OCCC[N@H+](C(C)C)C2CCOCC2)cc1 ZINC000077323014 431583725 /nfs/dbraw/zinc/58/37/25/431583725.db2.gz PBWMWJCGYMCHMA-UHFFFAOYSA-N 1 0 307.434 3.354 10 0 DGAERO CSc1ccc(NC(=O)C[N@H+](C(C)C)C2CCOCC2)cc1 ZINC000077323369 431583842 /nfs/dbraw/zinc/58/38/42/431583842.db2.gz VDVTYEUZMPEXBB-UHFFFAOYSA-N 1 0 322.474 3.236 10 0 DGAERO Cc1ccc(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)cc1C ZINC000077323428 431584042 /nfs/dbraw/zinc/58/40/42/431584042.db2.gz TVUIWGXDTUPSER-UHFFFAOYSA-N 1 0 304.434 3.131 10 0 DGAERO Cc1ccc(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)c(Cl)c1 ZINC000077323436 431584342 /nfs/dbraw/zinc/58/43/42/431584342.db2.gz NDMPECOEULAMCF-UHFFFAOYSA-N 1 0 324.852 3.476 10 0 DGAERO CC(C)[N@H+](CCCOc1ccc2c(c1)OCO2)C1CCOCC1 ZINC000077323110 431584912 /nfs/dbraw/zinc/58/49/12/431584912.db2.gz RLKBKNZWBLIBGP-UHFFFAOYSA-N 1 0 321.417 3.074 10 0 DGAERO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000077323601 431585148 /nfs/dbraw/zinc/58/51/48/431585148.db2.gz KLZLXUYYBJLKJC-UHFFFAOYSA-N 1 0 324.852 3.476 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000118018987 431586108 /nfs/dbraw/zinc/58/61/08/431586108.db2.gz LJSNTRHCPODEKI-AWEZNQCLSA-N 1 0 319.449 3.390 10 0 DGAERO CCc1ccccc1NC(=O)C[N@H+](C(C)C)C1CCOCC1 ZINC000077356702 431588013 /nfs/dbraw/zinc/58/80/13/431588013.db2.gz VFTSHCDWWPPAHI-UHFFFAOYSA-N 1 0 304.434 3.077 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC=C(c3cccs3)CC2)C1 ZINC000118064462 431588997 /nfs/dbraw/zinc/58/89/97/431588997.db2.gz WXUOLUQTOLMMHY-HNNXBMFYSA-N 1 0 319.474 3.031 10 0 DGAERO CC(C)COC1CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000077397497 431590858 /nfs/dbraw/zinc/59/08/58/431590858.db2.gz WFZWWGZTDIEIQE-UHFFFAOYSA-N 1 0 324.509 3.210 10 0 DGAERO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCCC2(C)C)C2CC2)cc1 ZINC000077382873 431591256 /nfs/dbraw/zinc/59/12/56/431591256.db2.gz AUQFNCIPFAEYGZ-SFHVURJKSA-N 1 0 316.445 3.137 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Cl)cc1F ZINC000119185012 431655911 /nfs/dbraw/zinc/65/59/11/431655911.db2.gz OYPJHLFMULTGAB-BLLLJJGKSA-N 1 0 324.827 3.344 10 0 DGAERO C[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1cccs1 ZINC000118951625 431626648 /nfs/dbraw/zinc/62/66/48/431626648.db2.gz DWVFXGVHWCMXPK-GFCCVEGCSA-N 1 0 320.433 3.369 10 0 DGAERO Cc1coc(-c2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2)n1 ZINC000119291168 431672652 /nfs/dbraw/zinc/67/26/52/431672652.db2.gz UBMUTYYUIWMJSA-UHFFFAOYSA-N 1 0 307.353 3.361 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000119294674 431673409 /nfs/dbraw/zinc/67/34/09/431673409.db2.gz WUMKYSMCYOQPRD-MRXNPFEDSA-N 1 0 317.433 3.146 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1NC(C)=O ZINC000119328818 431675364 /nfs/dbraw/zinc/67/53/64/431675364.db2.gz XZIZDPDGEYFSNR-DOMZBBRYSA-N 1 0 320.433 3.262 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000078537029 431679926 /nfs/dbraw/zinc/67/99/26/431679926.db2.gz HLVAYLUOSOXJDI-CVEARBPZSA-N 1 0 303.450 3.230 10 0 DGAERO Cc1c2ccccc2oc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000078614387 431687252 /nfs/dbraw/zinc/68/72/52/431687252.db2.gz PCKRZGIQWJMAFG-CQSZACIVSA-N 1 0 302.418 3.447 10 0 DGAERO Fc1ccccc1CC[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000078617366 431687530 /nfs/dbraw/zinc/68/75/30/431687530.db2.gz DSLJKYORLLYKTD-IAGOWNOFSA-N 1 0 307.409 3.028 10 0 DGAERO COC(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)s1 ZINC000119424377 431688366 /nfs/dbraw/zinc/68/83/66/431688366.db2.gz CCGSQXYCZQZXSF-AWEZNQCLSA-N 1 0 323.458 3.458 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CCOCCC(C)C)cc1NC(C)=O ZINC000119551429 431707793 /nfs/dbraw/zinc/70/77/93/431707793.db2.gz RVIXQSTXKTZAAA-CQSZACIVSA-N 1 0 322.449 3.367 10 0 DGAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079410026 431723961 /nfs/dbraw/zinc/72/39/61/431723961.db2.gz JEVKCLGHRODBEU-HOCLYGCPSA-N 1 0 304.434 3.137 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(Cc1cccs1)C1CC1 ZINC000079495642 431724848 /nfs/dbraw/zinc/72/48/48/431724848.db2.gz HAZQBYMMTYJKHT-CQSZACIVSA-N 1 0 323.506 3.398 10 0 DGAERO CCOc1c(F)cccc1C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000079681505 431740843 /nfs/dbraw/zinc/74/08/43/431740843.db2.gz ASHSCSGTSDUQCU-CQSZACIVSA-N 1 0 324.440 3.465 10 0 DGAERO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000079855630 431751358 /nfs/dbraw/zinc/75/13/58/431751358.db2.gz SZQDQYFDDXEOEO-UONOGXRCSA-N 1 0 323.868 3.432 10 0 DGAERO CC(C)c1cccc2c1OCCC[C@H]2[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000122420672 280639666 /nfs/dbraw/zinc/63/96/66/280639666.db2.gz SENHWOPZACNQOV-WMLDXEAASA-N 1 0 316.445 3.234 10 0 DGAERO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc2ccccc2n1 ZINC000121259360 431761373 /nfs/dbraw/zinc/76/13/73/431761373.db2.gz RLYJDLPJXQNACM-UHFFFAOYSA-N 1 0 313.445 3.265 10 0 DGAERO O=C(Cc1ccccc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177334 431717115 /nfs/dbraw/zinc/71/71/15/431717115.db2.gz XYQSHUPPPZGJTG-LJQANCHMSA-N 1 0 308.425 3.182 10 0 DGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306351 431718906 /nfs/dbraw/zinc/71/89/06/431718906.db2.gz KCJIMFUFNLCDNS-QWHCGFSZSA-N 1 0 322.449 3.048 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NCc2cc(F)ccc2Br)C1 ZINC000121453892 431789483 /nfs/dbraw/zinc/78/94/83/431789483.db2.gz SVLSMNKDBQELEL-CYBMUJFWSA-N 1 0 315.230 3.162 10 0 DGAERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccco2)cc1 ZINC000121492604 431794278 /nfs/dbraw/zinc/79/42/78/431794278.db2.gz GISBHNGIZKPDLQ-YOEHRIQHSA-N 1 0 303.402 3.070 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C/C=C/c1ccc(F)cc1 ZINC000081592178 431795418 /nfs/dbraw/zinc/79/54/18/431795418.db2.gz DMWPZSYIEUSJKW-FUTAKVPZSA-N 1 0 306.425 3.322 10 0 DGAERO Cc1cccc(OCC[N@@H+](C)Cc2cnc3nc(C)cc(C)n23)c1 ZINC000121546946 431800686 /nfs/dbraw/zinc/80/06/86/431800686.db2.gz PVFNJAUTRQYXGW-UHFFFAOYSA-N 1 0 324.428 3.165 10 0 DGAERO C[C@H](c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000083442731 431808357 /nfs/dbraw/zinc/80/83/57/431808357.db2.gz RDNJCXICYWYIFH-IUODEOHRSA-N 1 0 309.251 3.290 10 0 DGAERO COC[C@H]1CCC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000084075986 431814174 /nfs/dbraw/zinc/81/41/74/431814174.db2.gz ABYLATGFPXKQAS-HNNXBMFYSA-N 1 0 322.474 3.319 10 0 DGAERO CC[C@H]1CC(=O)C[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000034347852 431818668 /nfs/dbraw/zinc/81/86/68/431818668.db2.gz HSFSYZUOSHXZCR-LGWHJFRWSA-N 1 0 313.441 3.199 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000121295595 431766567 /nfs/dbraw/zinc/76/65/67/431766567.db2.gz QZUNFDZZGIOSIF-ZDUSSCGKSA-N 1 0 304.463 3.444 10 0 DGAERO COCCCOC1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000122722859 431842657 /nfs/dbraw/zinc/84/26/57/431842657.db2.gz QNBHJZWLQWNDAV-UHFFFAOYSA-N 1 0 314.429 3.252 10 0 DGAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1Cl ZINC000037201460 431845020 /nfs/dbraw/zinc/84/50/20/431845020.db2.gz VRXYNIHAHWIHIZ-SECBINFHSA-N 1 0 316.232 3.187 10 0 DGAERO COc1ccc(OC)c(C[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000122799806 431845487 /nfs/dbraw/zinc/84/54/87/431845487.db2.gz OEBLHHYVEYAKQL-UHFFFAOYSA-N 1 0 307.434 3.341 10 0 DGAERO CC(C)[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000037282472 431845516 /nfs/dbraw/zinc/84/55/16/431845516.db2.gz DXRZTYBRNQPRRT-OAHLLOKOSA-N 1 0 309.841 3.170 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc3ccccc3s2)CC[N@@H+]1C ZINC000122849631 431845923 /nfs/dbraw/zinc/84/59/23/431845923.db2.gz RMNSVZVVZBSNCI-TZMCWYRMSA-N 1 0 302.443 3.456 10 0 DGAERO CC(C)c1ccc(OCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000122850592 431846157 /nfs/dbraw/zinc/84/61/57/431846157.db2.gz HHRIUXCPDBPJAC-DOTOQJQBSA-N 1 0 318.461 3.130 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C2(c3ccccc3)CCCC2)CC[N@@H+]1C ZINC000122876386 431847392 /nfs/dbraw/zinc/84/73/92/431847392.db2.gz OCWGZJLRJMAKBQ-FUHWJXTLSA-N 1 0 314.473 3.440 10 0 DGAERO CCCn1cc(C[N@H+](C)CCCc2ccc(OC)cc2)cn1 ZINC000123739996 431873293 /nfs/dbraw/zinc/87/32/93/431873293.db2.gz CFBUSIZXEQXDKT-UHFFFAOYSA-N 1 0 301.434 3.366 10 0 DGAERO O=S1(=O)CC[C@@H]([NH2+]CCC2CCCC2)c2cc(F)ccc21 ZINC000037739653 431849358 /nfs/dbraw/zinc/84/93/58/431849358.db2.gz DQFTWSZUOMTVHI-OAHLLOKOSA-N 1 0 311.422 3.214 10 0 DGAERO C[C@@H]1C[C@@H](N(C)Cc2nc3cc(Cl)ccc3n2C)CC[N@@H+]1C ZINC000123100221 431854980 /nfs/dbraw/zinc/85/49/80/431854980.db2.gz ZFXYTRUVXBFDNC-OCCSQVGLSA-N 1 0 320.868 3.141 10 0 DGAERO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000088230564 431856119 /nfs/dbraw/zinc/85/61/19/431856119.db2.gz LXSUSIXPRODSHV-MSOLQXFVSA-N 1 0 318.461 3.386 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088478720 431857946 /nfs/dbraw/zinc/85/79/46/431857946.db2.gz ITCHXOOKNROPOZ-AWEZNQCLSA-N 1 0 309.429 3.226 10 0 DGAERO Cc1ccc(CCC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000040653335 431858185 /nfs/dbraw/zinc/85/81/85/431858185.db2.gz SLYPGAIDFRAWPD-KRWDZBQOSA-N 1 0 302.462 3.164 10 0 DGAERO Cc1nccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C)cc1 ZINC000123269916 431860044 /nfs/dbraw/zinc/86/00/44/431860044.db2.gz GPLYLEVTYKGCNX-KBPBESRZSA-N 1 0 312.417 3.436 10 0 DGAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123302723 431860432 /nfs/dbraw/zinc/86/04/32/431860432.db2.gz VPSSFQXCKZTWBD-HIFRSBDPSA-N 1 0 302.418 3.113 10 0 DGAERO CCCCC1CCC(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000041530530 431860815 /nfs/dbraw/zinc/86/08/15/431860815.db2.gz MIJIBUKLMHGLRM-UHFFFAOYSA-N 1 0 324.509 3.212 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000123364782 431862937 /nfs/dbraw/zinc/86/29/37/431862937.db2.gz WBSKXCXYGLNPHQ-GOSISDBHSA-N 1 0 312.461 3.301 10 0 DGAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCc1cccc2ccccc21 ZINC000123767774 431873743 /nfs/dbraw/zinc/87/37/43/431873743.db2.gz WASWJOAXOVNECQ-LJQANCHMSA-N 1 0 310.441 3.325 10 0 DGAERO CCSc1cc(Cl)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000123447954 431866040 /nfs/dbraw/zinc/86/60/40/431866040.db2.gz OWUVENMFAMUDRS-LBPRGKRZSA-N 1 0 312.866 3.276 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)n1 ZINC000089518980 431868630 /nfs/dbraw/zinc/86/86/30/431868630.db2.gz QZQGGPQQRRKGIY-MRVPVSSYSA-N 1 0 315.295 3.012 10 0 DGAERO CC(C)c1csc(NC(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC000043601323 431869197 /nfs/dbraw/zinc/86/91/97/431869197.db2.gz QZWUROKSSHRRDW-UHFFFAOYSA-N 1 0 322.478 3.359 10 0 DGAERO CCCn1cc(C[NH+]2CCC(N(C)c3ccccc3)CC2)cn1 ZINC000122236989 431822344 /nfs/dbraw/zinc/82/23/44/431822344.db2.gz RIAHBPNJJTUEAD-UHFFFAOYSA-N 1 0 312.461 3.394 10 0 DGAERO COCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccccc1 ZINC000036095415 431835396 /nfs/dbraw/zinc/83/53/96/431835396.db2.gz GGFOMICDPBUAGP-GOSISDBHSA-N 1 0 303.377 3.008 10 0 DGAERO Cc1ccc(N2CCC[N@H+](Cc3cc(C)c(C)cc3C)CC2)nn1 ZINC000093151153 431913664 /nfs/dbraw/zinc/91/36/64/431913664.db2.gz FTKXKXGLSCXSST-UHFFFAOYSA-N 1 0 324.472 3.423 10 0 DGAERO COc1c(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c(C)nn1C ZINC000093561756 431915902 /nfs/dbraw/zinc/91/59/02/431915902.db2.gz LJUKDZFHHBXSCQ-SWLSCSKDSA-N 1 0 317.408 3.254 10 0 DGAERO Cc1ccccc1CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000048018076 431918343 /nfs/dbraw/zinc/91/83/43/431918343.db2.gz FHUGHSSRXWZQPS-GOSISDBHSA-N 1 0 311.429 3.097 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)o1 ZINC000048062412 431918500 /nfs/dbraw/zinc/91/85/00/431918500.db2.gz XSTUDFOIECZYBN-CQSZACIVSA-N 1 0 315.417 3.210 10 0 DGAERO C[C@]1(C(=O)Nc2ccc(Cl)c(Br)c2)CCC[NH2+]1 ZINC000094670571 431920043 /nfs/dbraw/zinc/92/00/43/431920043.db2.gz IJSYJGITYIHJJE-GFCCVEGCSA-N 1 0 317.614 3.183 10 0 DGAERO CCCOc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000125307341 431920925 /nfs/dbraw/zinc/92/09/25/431920925.db2.gz QTVABYTWSLKFJU-INIZCTEOSA-N 1 0 317.433 3.177 10 0 DGAERO COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(C)cc1C ZINC000125319007 431921433 /nfs/dbraw/zinc/92/14/33/431921433.db2.gz RTUOSOQJDNLNDY-GDBMZVCRSA-N 1 0 314.433 3.227 10 0 DGAERO CC[NH+]1CCC2(CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000095091328 431922107 /nfs/dbraw/zinc/92/21/07/431922107.db2.gz OUCQYQIPBHEDNI-UHFFFAOYSA-N 1 0 302.418 3.131 10 0 DGAERO CC[N@@H+]1CCC2(C1)CCN(C(=O)OCc1ccccc1)CC2 ZINC000095091299 431922158 /nfs/dbraw/zinc/92/21/58/431922158.db2.gz NNPSOJPEIXSXFM-UHFFFAOYSA-N 1 0 302.418 3.131 10 0 DGAERO Brc1ccc(COCCC[C@@H]2CCCC[NH2+]2)cn1 ZINC000095092444 431922455 /nfs/dbraw/zinc/92/24/55/431922455.db2.gz CKRFKYWKUJTPOV-ZDUSSCGKSA-N 1 0 313.239 3.283 10 0 DGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000089732830 431876258 /nfs/dbraw/zinc/87/62/58/431876258.db2.gz OWMRHTIZPQNJAP-WMZOPIPTSA-N 1 0 310.445 3.413 10 0 DGAERO C[C@H]1C[C@H](N(C)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000123861605 431876607 /nfs/dbraw/zinc/87/66/07/431876607.db2.gz DPUPMNHHJTXWJX-WDEREUQCSA-N 1 0 317.296 3.425 10 0 DGAERO Cc1ccc(CCCC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000045059394 431880783 /nfs/dbraw/zinc/88/07/83/431880783.db2.gz HCJSIWYFGIGEEC-UHFFFAOYSA-N 1 0 300.446 3.061 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)C2(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000124141364 431884162 /nfs/dbraw/zinc/88/41/62/431884162.db2.gz OHYYYYBBVNHTDB-XJKSGUPXSA-N 1 0 320.864 3.313 10 0 DGAERO CC(C)Cc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124179404 431885147 /nfs/dbraw/zinc/88/51/47/431885147.db2.gz YHDXXRGPNSHVQJ-APWZRJJASA-N 1 0 316.489 3.369 10 0 DGAERO CC(C)Cc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000124179508 431885179 /nfs/dbraw/zinc/88/51/79/431885179.db2.gz YHDXXRGPNSHVQJ-LPHOPBHVSA-N 1 0 316.489 3.369 10 0 DGAERO CCc1oc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1C ZINC000124185790 431885302 /nfs/dbraw/zinc/88/53/02/431885302.db2.gz NKSLBCKTIVOSPB-UHFFFAOYSA-N 1 0 318.392 3.281 10 0 DGAERO COc1cccc(F)c1[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000124247788 431887055 /nfs/dbraw/zinc/88/70/55/431887055.db2.gz JLLDSXGSBHIAJI-GYOIFBIXSA-N 1 0 301.361 3.143 10 0 DGAERO COc1cccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1F ZINC000090371879 431891087 /nfs/dbraw/zinc/89/10/87/431891087.db2.gz HDIPDIKOPFKOLQ-UGSOOPFHSA-N 1 0 322.424 3.075 10 0 DGAERO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccn1Cc1cccs1 ZINC000124363304 431891885 /nfs/dbraw/zinc/89/18/85/431891885.db2.gz SSNFFHPNZMABTR-RBUKOAKNSA-N 1 0 324.449 3.346 10 0 DGAERO CC(=O)Nc1cccc([C@H](C)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000090773256 431894850 /nfs/dbraw/zinc/89/48/50/431894850.db2.gz OKUJJDUDCPIFCJ-HNAYVOBHSA-N 1 0 317.477 3.416 10 0 DGAERO Cc1ccc(SCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124496563 431895130 /nfs/dbraw/zinc/89/51/30/431895130.db2.gz FDNGBRROWGXZOV-CABCVRRESA-N 1 0 306.475 3.028 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000046279178 431896866 /nfs/dbraw/zinc/89/68/66/431896866.db2.gz LKVARFMLOJOBRQ-KBPBESRZSA-N 1 0 309.429 3.258 10 0 DGAERO CC(C)[C@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124554721 431897134 /nfs/dbraw/zinc/89/71/34/431897134.db2.gz AIEHLSNISBNTQB-UHOSZYNNSA-N 1 0 316.489 3.442 10 0 DGAERO CC1(C)C[C@@H]([NH2+]Cc2ccn(-c3ccc(F)cc3)n2)C(C)(C)O1 ZINC000090944035 431899112 /nfs/dbraw/zinc/89/91/12/431899112.db2.gz CGBICRFVDVBGMU-MRXNPFEDSA-N 1 0 317.408 3.447 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000124774640 431904026 /nfs/dbraw/zinc/90/40/26/431904026.db2.gz AAXQOOLLEJNARD-BEFAXECRSA-N 1 0 310.441 3.323 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000124812941 431905267 /nfs/dbraw/zinc/90/52/67/431905267.db2.gz NEFSOJWZVDWZEG-RISCZKNCSA-N 1 0 314.351 3.260 10 0 DGAERO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000124872605 431907014 /nfs/dbraw/zinc/90/70/14/431907014.db2.gz NPNYGFNXWZGHEZ-RBSFLKMASA-N 1 0 310.482 3.006 10 0 DGAERO Clc1nc2ccccn2c1CN1CCC([NH+]2CCCC2)CC1 ZINC000127699788 431978494 /nfs/dbraw/zinc/97/84/94/431978494.db2.gz RJLZARCUDIWHKQ-UHFFFAOYSA-N 1 0 318.852 3.048 10 0 DGAERO Cc1ccc(S[C@H](C)C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261805817 280935795 /nfs/dbraw/zinc/93/57/95/280935795.db2.gz MXMVUGCAPCPIHM-ZNMIVQPWSA-N 1 0 306.475 3.061 10 0 DGAERO O=C(c1ccc(F)cc1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073428 431936120 /nfs/dbraw/zinc/93/61/20/431936120.db2.gz SSYHFJUVISNFNB-UHFFFAOYSA-N 1 0 324.827 3.427 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1nccs1 ZINC000126200320 431944899 /nfs/dbraw/zinc/94/48/99/431944899.db2.gz DKPPGPJSFIIOOU-VHSXEESVSA-N 1 0 309.822 3.474 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(Cl)cc1Cl ZINC000050394920 431947742 /nfs/dbraw/zinc/94/77/42/431947742.db2.gz OTLNOQNQGHKXFZ-STQMWFEESA-N 1 0 301.217 3.313 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(-c2ccccc2)ns1 ZINC000126404426 431949395 /nfs/dbraw/zinc/94/93/95/431949395.db2.gz YYOGWJOTCKMUCH-HUUCEWRRSA-N 1 0 314.458 3.268 10 0 DGAERO c1cn(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)cn1 ZINC000126465933 431950309 /nfs/dbraw/zinc/95/03/09/431950309.db2.gz RVNJCNZLLQJPMD-GOSISDBHSA-N 1 0 311.429 3.265 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)CCCOc2ccccc2Cl)C1 ZINC000051377130 431950909 /nfs/dbraw/zinc/95/09/09/431950909.db2.gz ZWNTZBMQOPAZJR-AWEZNQCLSA-N 1 0 324.852 3.100 10 0 DGAERO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000126493835 431951127 /nfs/dbraw/zinc/95/11/27/431951127.db2.gz HQOPUKFEFBIIIG-OLZOCXBDSA-N 1 0 321.852 3.185 10 0 DGAERO Clc1ccc2c(c1)[C@H]([NH2+]CCCn1ccnn1)CCS2 ZINC000126571474 431953484 /nfs/dbraw/zinc/95/34/84/431953484.db2.gz BZTSJXDDYXPTPB-CYBMUJFWSA-N 1 0 308.838 3.148 10 0 DGAERO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000126551390 431953498 /nfs/dbraw/zinc/95/34/98/431953498.db2.gz LIUFXRILJXHVTI-DOTOQJQBSA-N 1 0 316.445 3.118 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(Br)s1 ZINC000052001551 431954010 /nfs/dbraw/zinc/95/40/10/431954010.db2.gz LNHLAKPJVNZRNT-AEJSXWLSSA-N 1 0 304.253 3.465 10 0 DGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000232804345 280991555 /nfs/dbraw/zinc/99/15/55/280991555.db2.gz MHOIMHBGMJLCGL-HTAVTVPLSA-N 1 0 306.372 3.002 10 0 DGAERO COC(=O)c1ccc(C[NH+]2CCC(OCC(C)C)CC2)cc1 ZINC000054321972 431969656 /nfs/dbraw/zinc/96/96/56/431969656.db2.gz FGQJRAJTCFPYLP-UHFFFAOYSA-N 1 0 305.418 3.110 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)c2sccc2-n2cccc2)CC[N@@H+]1C ZINC000127895360 431982819 /nfs/dbraw/zinc/98/28/19/431982819.db2.gz INQWKQDPORYAOG-KBPBESRZSA-N 1 0 317.458 3.094 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccc(Cl)cc3[nH]2)CC[N@@H+]1C ZINC000127885296 431982964 /nfs/dbraw/zinc/98/29/64/431982964.db2.gz JYXGTXRQQRNNBM-RISCZKNCSA-N 1 0 319.836 3.376 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc3ccc(Cl)cc3[nH]2)CC[N@@H+]1C ZINC000127884843 431983097 /nfs/dbraw/zinc/98/30/97/431983097.db2.gz JYXGTXRQQRNNBM-BXUZGUMPSA-N 1 0 319.836 3.376 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1 ZINC000055375017 431981027 /nfs/dbraw/zinc/98/10/27/431981027.db2.gz MDRLSXGSWPWBSE-QWHCGFSZSA-N 1 0 312.369 3.093 10 0 DGAERO CC[C@H](C)Oc1ccc(NC(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000056752841 431988734 /nfs/dbraw/zinc/98/87/34/431988734.db2.gz RZWNQRGYKASCBT-HOCLYGCPSA-N 1 0 319.449 3.470 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1OC ZINC000175005692 281191132 /nfs/dbraw/zinc/19/11/32/281191132.db2.gz XOVASWKLFPHPHQ-UONOGXRCSA-N 1 0 322.836 3.047 10 0 DGAERO c1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccncc2)cc1 ZINC000128083243 431987579 /nfs/dbraw/zinc/98/75/79/431987579.db2.gz GAXZXNFEWAGJIF-AQNXPRMDSA-N 1 0 307.441 3.387 10 0 DGAERO CC[N@H+](CCNC(=O)N[C@H](C)c1cccc(Cl)c1)C1CC1 ZINC000101974848 431990125 /nfs/dbraw/zinc/99/01/25/431990125.db2.gz GSJLJWMVEWUWCT-GFCCVEGCSA-N 1 0 309.841 3.185 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261825000 281373605 /nfs/dbraw/zinc/37/36/05/281373605.db2.gz YJXGPOYJJCSQSL-PMACEKPBSA-N 1 0 322.452 3.129 10 0 DGAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261746056 281399820 /nfs/dbraw/zinc/39/98/20/281399820.db2.gz NBLOAGOUDKJHOI-YSTOQKLRSA-N 1 0 320.436 3.052 10 0 DGAERO CCCCSCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248139107 432269790 /nfs/dbraw/zinc/26/97/90/432269790.db2.gz YCFSUTVLSZWUPQ-WMZOPIPTSA-N 1 0 320.502 3.471 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000173308001 432270243 /nfs/dbraw/zinc/27/02/43/432270243.db2.gz CNXIIXGKOFDFJV-LBPRGKRZSA-N 1 0 310.467 3.072 10 0 DGAERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000248139919 432270355 /nfs/dbraw/zinc/27/03/55/432270355.db2.gz YEUWNTGPARTBCE-HOCLYGCPSA-N 1 0 300.427 3.232 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CCN2CCCC[C@H]2C)cc1OC ZINC000173323553 432271704 /nfs/dbraw/zinc/27/17/04/432271704.db2.gz URWCHMHUAZAYGD-CABCVRRESA-N 1 0 306.450 3.229 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(c3)CCCC4)CC[C@H]21 ZINC000248149364 432272406 /nfs/dbraw/zinc/27/24/06/432272406.db2.gz QOEHUAZLQYNYFT-RBUKOAKNSA-N 1 0 312.457 3.122 10 0 DGAERO CCOc1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCCO3)co2)cc1 ZINC000183234410 432272822 /nfs/dbraw/zinc/27/28/22/432272822.db2.gz GFKUAHYGYHQZAW-DYVFJYSZSA-N 1 0 316.401 3.397 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCSC1)c1nc(-c2cccc(F)c2)no1 ZINC000191531075 432274959 /nfs/dbraw/zinc/27/49/59/432274959.db2.gz MMPWUSAPZWGOEK-ZWNOBZJWSA-N 1 0 307.394 3.422 10 0 DGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc(-n2cccn2)cc1 ZINC000248201450 432275737 /nfs/dbraw/zinc/27/57/37/432275737.db2.gz YVGGGLGQDCKNRI-PNHOKKKMSA-N 1 0 319.408 3.181 10 0 DGAERO CC[C@H]1C[N@@H+]([C@@H](C)CCc2cccc(F)c2)CCN1CCOC ZINC000183277474 432278574 /nfs/dbraw/zinc/27/85/74/432278574.db2.gz FYRCRYKUDIPQFJ-LPHOPBHVSA-N 1 0 322.468 3.189 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc(F)c1F ZINC000183298744 432279640 /nfs/dbraw/zinc/27/96/40/432279640.db2.gz VZKKBTNUMNIPMR-OLZOCXBDSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccncc2)[C@@H]2CCCC[C@@H]21 ZINC000248373742 432281615 /nfs/dbraw/zinc/28/16/15/432281615.db2.gz LBIPIRHDAVPFIC-ZTFGCOKTSA-N 1 0 310.445 3.493 10 0 DGAERO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccnc2)[C@@H]2CCCC[C@@H]21 ZINC000248375987 432282451 /nfs/dbraw/zinc/28/24/51/432282451.db2.gz ZADPZMMIBAGZPH-ZTFGCOKTSA-N 1 0 310.445 3.493 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH]c(-c2ccccc2)n1 ZINC000248389399 432282955 /nfs/dbraw/zinc/28/29/55/432282955.db2.gz AUKCVIQFNFNSRQ-MSOLQXFVSA-N 1 0 310.445 3.135 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000151860186 432283070 /nfs/dbraw/zinc/28/30/70/432283070.db2.gz WQOCYJMBLBRAIK-UHFFFAOYSA-N 1 0 308.809 3.498 10 0 DGAERO CC(C)Cn1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cn1 ZINC000248384852 432283044 /nfs/dbraw/zinc/28/30/44/432283044.db2.gz GEXRZZBZNMWZFU-DLBZAZTESA-N 1 0 317.433 3.220 10 0 DGAERO C[C@@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248388877 432283345 /nfs/dbraw/zinc/28/33/45/432283345.db2.gz AHWVKZJUAMFKPE-TWMKSMIVSA-N 1 0 321.509 3.469 10 0 DGAERO C[C@@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248388879 432283381 /nfs/dbraw/zinc/28/33/81/432283381.db2.gz AHWVKZJUAMFKPE-YYIAUSFCSA-N 1 0 321.509 3.469 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+]([C@H](C)CCc3cccc(F)c3)[C@@H]2C1 ZINC000248383717 432283442 /nfs/dbraw/zinc/28/34/42/432283442.db2.gz BCTUQADQKDNAAF-AXUOBQJMSA-N 1 0 321.436 3.415 10 0 DGAERO CC(C)c1csc([C@H]2CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)n1 ZINC000248390861 432284054 /nfs/dbraw/zinc/28/40/54/432284054.db2.gz IUWOQFHEHAQGNV-CMPLNLGQSA-N 1 0 322.396 3.369 10 0 DGAERO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000248383800 432284133 /nfs/dbraw/zinc/28/41/33/432284133.db2.gz BMTQVMDEFRXBBL-NVXWUHKLSA-N 1 0 316.424 3.151 10 0 DGAERO CC[C@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000248399148 432284828 /nfs/dbraw/zinc/28/48/28/432284828.db2.gz OFXYFLIZSNKREI-IRXDYDNUSA-N 1 0 304.409 3.016 10 0 DGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H]1CCCOC1 ZINC000191632409 432285678 /nfs/dbraw/zinc/28/56/78/432285678.db2.gz DIOSSSBIHZHQGK-ZYHUDNBSSA-N 1 0 314.223 3.287 10 0 DGAERO CCSCC[C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000173563262 432288264 /nfs/dbraw/zinc/28/82/64/432288264.db2.gz QNWSXMDRWHVVTB-HOCLYGCPSA-N 1 0 323.506 3.120 10 0 DGAERO Cc1nc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)nc2ccccc12 ZINC000173641490 432290809 /nfs/dbraw/zinc/29/08/09/432290809.db2.gz VUZINPIDTQSOLI-INIZCTEOSA-N 1 0 312.461 3.244 10 0 DGAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000191693202 432291418 /nfs/dbraw/zinc/29/14/18/432291418.db2.gz KEMCQTSGZMAMRO-VCTAVGKDSA-N 1 0 310.235 3.451 10 0 DGAERO CCn1cc([C@H]2C[N@H+](C[C@@H](C)Cc3ccccc3)CCO2)cn1 ZINC000191705990 432293987 /nfs/dbraw/zinc/29/39/87/432293987.db2.gz WJMURQUJILPUMX-QFBILLFUSA-N 1 0 313.445 3.155 10 0 DGAERO c1cc2c(cc1[C@@H]([NH2+][C@@H]1CCCSC1)C1CC1)OCCO2 ZINC000183458809 432294242 /nfs/dbraw/zinc/29/42/42/432294242.db2.gz KEIKWADEBHFLRP-PBHICJAKSA-N 1 0 305.443 3.394 10 0 DGAERO CCCc1ncc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000173713213 432295366 /nfs/dbraw/zinc/29/53/66/432295366.db2.gz KYGDBVCVSTUQRI-UHFFFAOYSA-N 1 0 321.490 3.044 10 0 DGAERO CCCCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1OC ZINC000191754826 432299208 /nfs/dbraw/zinc/29/92/08/432299208.db2.gz YBJOROZFFBFTPC-HOCLYGCPSA-N 1 0 307.434 3.389 10 0 DGAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000248549666 432299795 /nfs/dbraw/zinc/29/97/95/432299795.db2.gz HOAHRJXWCCQAFP-KDOFPFPSSA-N 1 0 302.418 3.414 10 0 DGAERO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(F)cc1F ZINC000248587767 432302655 /nfs/dbraw/zinc/30/26/55/432302655.db2.gz YFRVJMRWBZPOQU-UGSOOPFHSA-N 1 0 323.383 3.165 10 0 DGAERO Fc1ccccc1C[C@@H]([NH2+]CCCn1ccnn1)c1ccccc1 ZINC000191798105 432302766 /nfs/dbraw/zinc/30/27/66/432302766.db2.gz LNNLPDYIPUGAOB-LJQANCHMSA-N 1 0 324.403 3.381 10 0 DGAERO Fc1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128557961 431996194 /nfs/dbraw/zinc/99/61/94/431996194.db2.gz CFMXNYCAFSCOMR-HZPDHXFCSA-N 1 0 303.381 3.175 10 0 DGAERO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCCC1(C)C ZINC000102930879 432000845 /nfs/dbraw/zinc/00/08/45/432000845.db2.gz CVFRSVYGVSPCKB-GFCCVEGCSA-N 1 0 310.388 3.359 10 0 DGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000183126589 432261291 /nfs/dbraw/zinc/26/12/91/432261291.db2.gz CTAZVEZLYGMLOC-RNCFNFMXSA-N 1 0 317.216 3.089 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191411449 432261467 /nfs/dbraw/zinc/26/14/67/432261467.db2.gz HEAWOWAADQSSMH-CYBMUJFWSA-N 1 0 317.481 3.406 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2C)[C@@H](C)C1 ZINC000248741494 432316034 /nfs/dbraw/zinc/31/60/34/432316034.db2.gz QYZITJVMTSFOCS-BLLLJJGKSA-N 1 0 308.853 3.451 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(OC)c1 ZINC000248767386 432318541 /nfs/dbraw/zinc/31/85/41/432318541.db2.gz XJSGYYUEJYIFBC-PWUKJLEFSA-N 1 0 317.429 3.312 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cncc(Br)c1 ZINC000183717766 432318658 /nfs/dbraw/zinc/31/86/58/432318658.db2.gz FPHGTQZZORPMFB-AWEZNQCLSA-N 1 0 315.255 3.121 10 0 DGAERO C[C@H]1C[C@H](CC[N@@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)C[C@@H](C)C1 ZINC000248817344 432319277 /nfs/dbraw/zinc/31/92/77/432319277.db2.gz UPZLOENSBNWLEA-MLHJIOFPSA-N 1 0 324.509 3.320 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000174110005 432321236 /nfs/dbraw/zinc/32/12/36/432321236.db2.gz INMGIFPJQNJCPS-MSOLQXFVSA-N 1 0 306.494 3.441 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000174117154 432321384 /nfs/dbraw/zinc/32/13/84/432321384.db2.gz PRNRRRSOUZZFGL-UHFFFAOYSA-N 1 0 318.436 3.096 10 0 DGAERO O[C@H](C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)CC(F)(F)F ZINC000248861905 432323691 /nfs/dbraw/zinc/32/36/91/432323691.db2.gz AJGVHANVRONIHM-KBPBESRZSA-N 1 0 305.315 3.146 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1cccc(Cl)c1 ZINC000174164913 432326381 /nfs/dbraw/zinc/32/63/81/432326381.db2.gz RMKHWBSORKZVQM-SECBINFHSA-N 1 0 308.731 3.011 10 0 DGAERO C[C@](O)(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(Cl)c1 ZINC000248895105 432326722 /nfs/dbraw/zinc/32/67/22/432326722.db2.gz TTYWRHDHQGUHCD-HZMVEIRTSA-N 1 0 321.848 3.095 10 0 DGAERO COc1ccc([C@H](CCC(C)C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152353120 432326987 /nfs/dbraw/zinc/32/69/87/432326987.db2.gz KVKWWVWWPZHQSK-AEFFLSMTSA-N 1 0 318.461 3.383 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)CSc2ccccc2C)C1 ZINC000174172302 432327825 /nfs/dbraw/zinc/32/78/25/432327825.db2.gz IVNWEYRGAKVJLL-OAHLLOKOSA-N 1 0 306.475 3.030 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1OC ZINC000248935976 432328486 /nfs/dbraw/zinc/32/84/86/432328486.db2.gz YGZXFFFPCROLOK-YLQAJVPDSA-N 1 0 305.418 3.312 10 0 DGAERO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C[C@H]1C ZINC000248904772 432329500 /nfs/dbraw/zinc/32/95/00/432329500.db2.gz OETTVDAHYBPYLD-DNVCBOLYSA-N 1 0 324.424 3.380 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000152402237 432330322 /nfs/dbraw/zinc/33/03/22/432330322.db2.gz KRBNACSMXQIFML-RHSMWYFYSA-N 1 0 307.482 3.079 10 0 DGAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000192071289 432330917 /nfs/dbraw/zinc/33/09/17/432330917.db2.gz IBJQDHHDIATKRE-BBRMVZONSA-N 1 0 305.418 3.157 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@H](C)O2)c1 ZINC000248973391 432331097 /nfs/dbraw/zinc/33/10/97/432331097.db2.gz SWBYXAVHQILUMT-QRTARXTBSA-N 1 0 305.418 3.408 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccccc32)C12CCOCC2 ZINC000249038286 432335089 /nfs/dbraw/zinc/33/50/89/432335089.db2.gz UPRAMPZDXMJVTM-CGTJXYLNSA-N 1 0 317.429 3.074 10 0 DGAERO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000249041961 432335292 /nfs/dbraw/zinc/33/52/92/432335292.db2.gz NBMFAODBZVHLJB-DOTOQJQBSA-N 1 0 300.402 3.030 10 0 DGAERO Cc1csc2c1ncnc2N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000249084680 432337738 /nfs/dbraw/zinc/33/77/38/432337738.db2.gz ILNILNMWLYTTHY-HNNXBMFYSA-N 1 0 324.453 3.493 10 0 DGAERO CCC(=O)CC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249093627 432338541 /nfs/dbraw/zinc/33/85/41/432338541.db2.gz TULMFMHDRMKWPE-HUUCEWRRSA-N 1 0 316.228 3.253 10 0 DGAERO O[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000249083432 432338683 /nfs/dbraw/zinc/33/86/83/432338683.db2.gz MWUVXXVEEYRBLE-QBIMZIAESA-N 1 0 301.430 3.140 10 0 DGAERO C[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H]1CO ZINC000249093571 432338875 /nfs/dbraw/zinc/33/88/75/432338875.db2.gz NZFIPUPRXXDRKI-UGSOOPFHSA-N 1 0 300.377 3.090 10 0 DGAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249133427 432340222 /nfs/dbraw/zinc/34/02/22/432340222.db2.gz WGQDLXWZGMQDRB-ARLBYUKCSA-N 1 0 305.422 3.132 10 0 DGAERO CCC1CCC(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000174369257 432340365 /nfs/dbraw/zinc/34/03/65/432340365.db2.gz WYCBBQYTUYANIA-RDHHWEPZSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192174298 432340985 /nfs/dbraw/zinc/34/09/85/432340985.db2.gz QAWBLVXHVWUMIV-DTWKUNHWSA-N 1 0 306.631 3.209 10 0 DGAERO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000249149336 432341707 /nfs/dbraw/zinc/34/17/07/432341707.db2.gz XIRWYJKFYXUSCL-AEFFLSMTSA-N 1 0 323.502 3.469 10 0 DGAERO CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Cl)cc3F)[C@H]2C1 ZINC000249291961 432344674 /nfs/dbraw/zinc/34/46/74/432344674.db2.gz ANMDAJSFSWMMTA-VNQPRFMTSA-N 1 0 313.800 3.247 10 0 DGAERO CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)[C@@H]1CCCC[C@H]1C ZINC000249302950 432344799 /nfs/dbraw/zinc/34/47/99/432344799.db2.gz CKNBEQUQLITFDP-CXAGYDPISA-N 1 0 302.422 3.476 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1c1ccccc1 ZINC000249314009 432344813 /nfs/dbraw/zinc/34/48/13/432344813.db2.gz PAMSDZSJBNEZOF-UONOGXRCSA-N 1 0 304.777 3.108 10 0 DGAERO c1csc(Cn2cccc2C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249457043 432348020 /nfs/dbraw/zinc/34/80/20/432348020.db2.gz DPKQFMXWSKXPTN-GVDBMIGSSA-N 1 0 302.443 3.255 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCSCc3ccccc3)[C@H]2C1 ZINC000249507495 432350190 /nfs/dbraw/zinc/35/01/90/432350190.db2.gz LJMRWSWDXKMKEE-SQNIBIBYSA-N 1 0 321.486 3.188 10 0 DGAERO Cc1nn(C)cc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249529331 432351477 /nfs/dbraw/zinc/35/14/77/432351477.db2.gz AMEXNTRHASMXOC-RCCFBDPRSA-N 1 0 310.445 3.051 10 0 DGAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000174495470 432351736 /nfs/dbraw/zinc/35/17/36/432351736.db2.gz MUUOYBBUUHHOTP-KBPBESRZSA-N 1 0 322.424 3.276 10 0 DGAERO Cc1cc2occ(C(=O)N3CCC([NH+](C)C)CC3)c2cc1C ZINC000184067179 432351940 /nfs/dbraw/zinc/35/19/40/432351940.db2.gz HFBRMWWNOKJLDQ-UHFFFAOYSA-N 1 0 300.402 3.216 10 0 DGAERO O[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc5ccccc5nc4Cl)[C@H]1[C@H]3C2 ZINC000249627052 432352614 /nfs/dbraw/zinc/35/26/14/432352614.db2.gz UGEUJUOFUOFADD-UOYADTOYSA-N 1 0 314.816 3.089 10 0 DGAERO Cc1cccc(OCC[N@@H+]2C[C@@H](CO)[C@@H](c3ccsc3)C2)c1 ZINC000249601247 432353052 /nfs/dbraw/zinc/35/30/52/432353052.db2.gz YHRYYNBEDBOCQW-FUHWJXTLSA-N 1 0 317.454 3.143 10 0 DGAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2cocn2)C1 ZINC000192287502 432354342 /nfs/dbraw/zinc/35/43/42/432354342.db2.gz OKYNBGRGBMBCMF-HZPDHXFCSA-N 1 0 313.445 3.442 10 0 DGAERO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183579757 432305580 /nfs/dbraw/zinc/30/55/80/432305580.db2.gz JIFDIRASGRUAJN-CVEARBPZSA-N 1 0 323.440 3.474 10 0 DGAERO Cc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1C(F)(F)F ZINC000173906445 432306592 /nfs/dbraw/zinc/30/65/92/432306592.db2.gz QOQPGAOEEHXQMY-LBPRGKRZSA-N 1 0 315.339 3.182 10 0 DGAERO Cc1cccc(S(=O)(=O)CCC[N@@H+]2C[C@@H](C)CC[C@H]2C)c1 ZINC000248608730 432306805 /nfs/dbraw/zinc/30/68/05/432306805.db2.gz FCAJBNYOIUIJEZ-JKSUJKDBSA-N 1 0 309.475 3.279 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(Cc2sc(C)nc2C(F)(F)F)C1 ZINC000183592649 432306929 /nfs/dbraw/zinc/30/69/29/432306929.db2.gz SEFDPFOBKRMHQS-NSHDSACASA-N 1 0 321.412 3.386 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)s1 ZINC000183605161 432307638 /nfs/dbraw/zinc/30/76/38/432307638.db2.gz NHYURENOWZOWHA-GFCCVEGCSA-N 1 0 306.353 3.083 10 0 DGAERO CCCC[C@H](CC)C[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000183614432 432308718 /nfs/dbraw/zinc/30/87/18/432308718.db2.gz AYSMTVQBHKVUQI-ZBFHGGJFSA-N 1 0 308.470 3.273 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000248658149 432311526 /nfs/dbraw/zinc/31/15/26/432311526.db2.gz TZKJOLPZFKWVTL-CVEARBPZSA-N 1 0 312.417 3.258 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000191892414 432312149 /nfs/dbraw/zinc/31/21/49/432312149.db2.gz BZALRDRGIKDUGM-DLBZAZTESA-N 1 0 302.462 3.292 10 0 DGAERO Cn1c2ccccc2nc1N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248737624 432313809 /nfs/dbraw/zinc/31/38/09/432313809.db2.gz OPSGGHRWQKQORK-WMZOPIPTSA-N 1 0 306.413 3.431 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000174002910 432313852 /nfs/dbraw/zinc/31/38/52/432313852.db2.gz XOTNTXHFBKNHGE-GHMZBOCLSA-N 1 0 315.870 3.026 10 0 DGAERO Cc1nc(C(F)(F)F)c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000248730109 432314451 /nfs/dbraw/zinc/31/44/51/432314451.db2.gz MLEPLVDIVRPDRR-GXSJLCMTSA-N 1 0 321.412 3.385 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cccc(F)c1)CC2 ZINC000174029831 432314988 /nfs/dbraw/zinc/31/49/88/432314988.db2.gz OQAVYYAYKYTZJQ-IUODEOHRSA-N 1 0 302.397 3.206 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184258794 432372447 /nfs/dbraw/zinc/37/24/47/432372447.db2.gz LRONCRZZLMIMDG-LSDHHAIUSA-N 1 0 307.401 3.383 10 0 DGAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCc1ccc(F)c(F)c1 ZINC000153005027 432374719 /nfs/dbraw/zinc/37/47/19/432374719.db2.gz BQCHFNUBKXNVDI-GUYCJALGSA-N 1 0 324.415 3.086 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCCc3ccccc31)CC2 ZINC000174850449 432375734 /nfs/dbraw/zinc/37/57/34/432375734.db2.gz MEEUKPZHTNKDDD-RDJZCZTQSA-N 1 0 310.445 3.213 10 0 DGAERO CC[NH+](CC)CC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000184334258 432381191 /nfs/dbraw/zinc/38/11/91/432381191.db2.gz QCOLTBZPEDZNFR-ZDUSSCGKSA-N 1 0 324.293 3.026 10 0 DGAERO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000184391115 432386466 /nfs/dbraw/zinc/38/64/66/432386466.db2.gz KNLKWETUUMVNDS-CRAIPNDOSA-N 1 0 315.461 3.222 10 0 DGAERO Cc1ccc2ncc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000252802409 432388287 /nfs/dbraw/zinc/38/82/87/432388287.db2.gz MNLNWTJOPGDGIO-QFBILLFUSA-N 1 0 324.472 3.091 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000175007005 432388796 /nfs/dbraw/zinc/38/87/96/432388796.db2.gz YSMNWXYRKCOWMZ-JFNPMQPZSA-N 1 0 316.489 3.288 10 0 DGAERO C[C@@H]1CC[C@H](C)CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000175011386 432389992 /nfs/dbraw/zinc/38/99/92/432389992.db2.gz QXPASAKSLPUYBD-LSDHHAIUSA-N 1 0 303.450 3.078 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)ccc1OC ZINC000253340144 432390009 /nfs/dbraw/zinc/39/00/09/432390009.db2.gz BJAAOIKABZQPSM-UOQGXUADSA-N 1 0 305.418 3.060 10 0 DGAERO Cc1csc2c1ncnc2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000192611516 432393208 /nfs/dbraw/zinc/39/32/08/432393208.db2.gz BAJOMIARTRRMEY-CQSZACIVSA-N 1 0 316.474 3.454 10 0 DGAERO CCO[C@@H](CC[NH2+]Cc1ccc2c(c1)sc(=O)n2C)C(C)C ZINC000192613298 432394015 /nfs/dbraw/zinc/39/40/15/432394015.db2.gz KEAWPWLNZSGXRD-HNNXBMFYSA-N 1 0 322.474 3.141 10 0 DGAERO Cc1noc(C2CCN(CCC(Cl)(Cl)Cl)CC2)n1 ZINC000184469314 432394538 /nfs/dbraw/zinc/39/45/38/432394538.db2.gz QJVIFJIOBBCLGC-UHFFFAOYSA-N 1 0 312.628 3.318 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)c1C ZINC000192639820 432395068 /nfs/dbraw/zinc/39/50/68/432395068.db2.gz RQXMOCQSNYOIPI-UONOGXRCSA-N 1 0 306.837 3.347 10 0 DGAERO Fc1cccc(-c2cnc(C[N@H+](C[C@@H]3CCOC3)C3CC3)o2)c1 ZINC000175089163 432395102 /nfs/dbraw/zinc/39/51/02/432395102.db2.gz DVPCXKXGIYGGKQ-ZDUSSCGKSA-N 1 0 316.376 3.482 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CCSCc1ccccc1 ZINC000192630970 432395289 /nfs/dbraw/zinc/39/52/89/432395289.db2.gz RSJPCBWPHMIYDM-CQSZACIVSA-N 1 0 317.502 3.491 10 0 DGAERO Cn1nccc1C1CC[NH+](CCC(Cl)(Cl)Cl)CC1 ZINC000184495631 432397989 /nfs/dbraw/zinc/39/79/89/432397989.db2.gz YXAZJVFQEMRUIT-UHFFFAOYSA-N 1 0 310.656 3.360 10 0 DGAERO CCCCOc1ccc(C[NH2+][C@@H](C)c2ccnn2C)cc1OC ZINC000192670080 432398622 /nfs/dbraw/zinc/39/86/22/432398622.db2.gz HYNDXEOOXUWCLT-AWEZNQCLSA-N 1 0 317.433 3.458 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000175173308 432407672 /nfs/dbraw/zinc/40/76/72/432407672.db2.gz BVSHJDMSRMKEHK-XLIONFOSSA-N 1 0 308.425 3.295 10 0 DGAERO CC(=O)N1CC[C@@H]([NH2+]C2CCSCC2)c2ccc(F)cc2C1 ZINC000184529136 432402218 /nfs/dbraw/zinc/40/22/18/432402218.db2.gz URUIBWTURSANJV-QGZVFWFLSA-N 1 0 322.449 3.104 10 0 DGAERO CCC[C@H](C(=O)N(C)Cc1ccc(F)cc1Cl)[NH+](C)C ZINC000153428204 432407674 /nfs/dbraw/zinc/40/76/74/432407674.db2.gz BQMZYNILIDKBFM-CQSZACIVSA-N 1 0 300.805 3.168 10 0 DGAERO Cn1c2ccc(C[NH2+]CCC[C@H]3CCCCO3)cc2sc1=O ZINC000192728803 432405238 /nfs/dbraw/zinc/40/52/38/432405238.db2.gz FYHDHXKNGZSQLT-CQSZACIVSA-N 1 0 320.458 3.039 10 0 DGAERO Clc1cccc(C2(C[NH2+]Cc3cocn3)CCOCC2)c1 ZINC000192294538 432356615 /nfs/dbraw/zinc/35/66/15/432356615.db2.gz MHLDVCFJDNXWLQ-UHFFFAOYSA-N 1 0 306.793 3.166 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(Cl)s2)C1 ZINC000249774092 432358188 /nfs/dbraw/zinc/35/81/88/432358188.db2.gz VHLJYXSZMYKXMA-GHMZBOCLSA-N 1 0 315.870 3.246 10 0 DGAERO Cc1cc(NCc2cocn2)ccc1OCC[NH+]1CCCC1 ZINC000192315816 432358662 /nfs/dbraw/zinc/35/86/62/432358662.db2.gz VZCVQQDYSXKCTC-UHFFFAOYSA-N 1 0 301.390 3.070 10 0 DGAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1ccc(F)cc1F ZINC000249885811 432359186 /nfs/dbraw/zinc/35/91/86/432359186.db2.gz OZEKHNUJYIPBOC-ABAIWWIYSA-N 1 0 324.396 3.334 10 0 DGAERO CCCn1cc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cn1 ZINC000174649256 432361212 /nfs/dbraw/zinc/36/12/12/432361212.db2.gz LCBUXPNEIALIKG-UHFFFAOYSA-N 1 0 317.408 3.228 10 0 DGAERO C[NH+](C)[C@@H](CNCc1cocn1)c1cccc(C(F)(F)F)c1 ZINC000192344778 432362212 /nfs/dbraw/zinc/36/22/12/432362212.db2.gz ZGOZQAZDNONEQQ-AWEZNQCLSA-N 1 0 313.323 3.086 10 0 DGAERO CC(C)(C)c1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)n(C(C)(C)C)n1 ZINC000152849345 432362327 /nfs/dbraw/zinc/36/23/27/432362327.db2.gz SMOHZPAGBRHWLB-NEPJUHHUSA-N 1 0 306.454 3.002 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N3CCCCC3)C2)n1 ZINC000249912485 432362822 /nfs/dbraw/zinc/36/28/22/432362822.db2.gz WIXQMEBKGFPJBS-HUUCEWRRSA-N 1 0 321.490 3.032 10 0 DGAERO CC1CCC(NC(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000192355563 432363468 /nfs/dbraw/zinc/36/34/68/432363468.db2.gz GWRQUJJYGJPBEX-KVULBXGLSA-N 1 0 316.445 3.054 10 0 DGAERO CC(C)COC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccco1 ZINC000184203086 432366371 /nfs/dbraw/zinc/36/63/71/432366371.db2.gz OGJSJNHGXDNPHS-HKUYNNGSSA-N 1 0 317.429 3.491 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)CC1(CSc2ccccc2)CC1 ZINC000184212879 432366758 /nfs/dbraw/zinc/36/67/58/432366758.db2.gz SRHILFMLFRCDJZ-HNNXBMFYSA-N 1 0 318.486 3.159 10 0 DGAERO COc1cc([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)ccc1F ZINC000152922798 432368016 /nfs/dbraw/zinc/36/80/16/432368016.db2.gz BUIVYOBCAPICPE-NSHDSACASA-N 1 0 322.346 3.369 10 0 DGAERO C[C@H]([NH3+])[C@@H]1C[C@H]1c1cc(Br)c(Br)o1 ZINC000251686218 432370498 /nfs/dbraw/zinc/37/04/98/432370498.db2.gz WDQUTQGJDZBGCS-HCWXCVPCSA-N 1 0 309.001 3.255 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2cc3ccccc3o2)C1 ZINC000175361765 432428200 /nfs/dbraw/zinc/42/82/00/432428200.db2.gz QEJRZYMQCKPLCG-HNNXBMFYSA-N 1 0 315.417 3.059 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)CCC2CCC2)CC1 ZINC000175368967 432429747 /nfs/dbraw/zinc/42/97/47/432429747.db2.gz CXCSSVDXFBZFPF-UHFFFAOYSA-N 1 0 315.461 3.347 10 0 DGAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261542045 432431578 /nfs/dbraw/zinc/43/15/78/432431578.db2.gz GKTFXRJTYMRQLZ-JLSDUUJJSA-N 1 0 300.446 3.331 10 0 DGAERO Fc1ccc(/C=C/CN2CC[NH2+]C[C@@H]2c2cccnc2)c(F)c1 ZINC000261601697 432432202 /nfs/dbraw/zinc/43/22/02/432432202.db2.gz AFJFOVFGEPEDBN-ROVVAWJSSA-N 1 0 315.367 3.020 10 0 DGAERO CSCc1ccccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000184808117 432434536 /nfs/dbraw/zinc/43/45/36/432434536.db2.gz AHLCUWOKDGEQMG-UHFFFAOYSA-N 1 0 307.463 3.108 10 0 DGAERO CCOCCN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175447660 432436454 /nfs/dbraw/zinc/43/64/54/432436454.db2.gz POLBBZREAXDKSI-AWEZNQCLSA-N 1 0 303.324 3.115 10 0 DGAERO C[C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccsc1 ZINC000261629973 432436694 /nfs/dbraw/zinc/43/66/94/432436694.db2.gz AYOAAERWDVOAPX-JTQLQIEISA-N 1 0 304.390 3.275 10 0 DGAERO C[C@H]([NH3+])CC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261683395 432440963 /nfs/dbraw/zinc/44/09/63/432440963.db2.gz BPTZVGCBGBICCF-FZMZJTMJSA-N 1 0 314.351 3.496 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000193038158 432442158 /nfs/dbraw/zinc/44/21/58/432442158.db2.gz LNBIDZFBUXFKHV-CQSZACIVSA-N 1 0 314.351 3.163 10 0 DGAERO Cc1sc2nc(C)nc(N[C@@H](C)[C@@H]3CCC[NH2+]C3)c2c1C ZINC000261692471 432443235 /nfs/dbraw/zinc/44/32/35/432443235.db2.gz NMOBZYPTXVLWNM-GXFFZTMASA-N 1 0 304.463 3.417 10 0 DGAERO C[C@@H]1CC[C@H](C)N(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000175528518 432445158 /nfs/dbraw/zinc/44/51/58/432445158.db2.gz CKDSYKRBJOOLBX-ZACQAIPSSA-N 1 0 309.498 3.329 10 0 DGAERO CCOC(C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC)OCC ZINC000184939972 432447143 /nfs/dbraw/zinc/44/71/43/432447143.db2.gz WPRXLGGIUXKZHB-MRXNPFEDSA-N 1 0 323.433 3.240 10 0 DGAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC000184960974 432449823 /nfs/dbraw/zinc/44/98/23/432449823.db2.gz KFIPQUAFJKRJJU-HZPDHXFCSA-N 1 0 315.461 3.059 10 0 DGAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000261796891 432450596 /nfs/dbraw/zinc/45/05/96/432450596.db2.gz DRLBCMAACXIZDU-NXHRZFHOSA-N 1 0 300.446 3.219 10 0 DGAERO C[C@H]([NH2+]CCO[C@H]1CCCCO1)c1cccc(-n2ccnc2)c1 ZINC000193115868 432450637 /nfs/dbraw/zinc/45/06/37/432450637.db2.gz QHSNRUFDXJDSDT-YJBOKZPZSA-N 1 0 315.417 3.066 10 0 DGAERO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(C)C)cc1 ZINC000184963969 432451231 /nfs/dbraw/zinc/45/12/31/432451231.db2.gz PJFNSPSYWHVSLV-QZTJIDSGSA-N 1 0 302.462 3.437 10 0 DGAERO CC[C@H](C)[C@H](C)[N@H+](Cc1cc(-c2cnn(C)c2)no1)C1CC1 ZINC000184998013 432453330 /nfs/dbraw/zinc/45/33/30/432453330.db2.gz YPNBIEDXALSNRF-STQMWFEESA-N 1 0 302.422 3.474 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175624985 432454378 /nfs/dbraw/zinc/45/43/78/432454378.db2.gz RFIKCTPTIJQXOH-HOCLYGCPSA-N 1 0 314.433 3.247 10 0 DGAERO C1C[C@@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)[C@@H]([C@@H]2COCCN2)C1 ZINC000261846710 432455082 /nfs/dbraw/zinc/45/50/82/432455082.db2.gz AVRUGJOQWRZTOT-KSCVBYKOSA-N 1 0 306.494 3.092 10 0 DGAERO CC(C)[C@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185005351 432456190 /nfs/dbraw/zinc/45/61/90/432456190.db2.gz GLMNBQZRXLJING-AWEZNQCLSA-N 1 0 302.422 3.333 10 0 DGAERO Cn1cc(-c2cc(C[N@@H+]3CCC4(C3)CCCCC4)on2)cn1 ZINC000185011138 432456231 /nfs/dbraw/zinc/45/62/31/432456231.db2.gz INGQZTXOLGLGOL-UHFFFAOYSA-N 1 0 300.406 3.231 10 0 DGAERO Cc1ccc([C@H]2CCCN2C(=O)CC[C@@H]2CC[NH2+]C2)cc1C ZINC000261869253 432456936 /nfs/dbraw/zinc/45/69/36/432456936.db2.gz QJTCYNSSCOMPRM-SJLPKXTDSA-N 1 0 300.446 3.357 10 0 DGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3sc4ccccc4c3Cl)C[C@@H]12 ZINC000185026963 432457218 /nfs/dbraw/zinc/45/72/18/432457218.db2.gz ZXIDZMMCKSLELB-MVWJERBFSA-N 1 0 320.845 3.364 10 0 DGAERO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(-c3cnn(C)c3)no2)n1 ZINC000185026860 432457686 /nfs/dbraw/zinc/45/76/86/432457686.db2.gz GCPZTPNBYWZXSH-SFHVURJKSA-N 1 0 323.400 3.116 10 0 DGAERO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185021209 432457947 /nfs/dbraw/zinc/45/79/47/432457947.db2.gz ZHTOYOVTQKXWNM-KSSFIOAISA-N 1 0 322.412 3.453 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000255427342 432410386 /nfs/dbraw/zinc/41/03/86/432410386.db2.gz NEEJVIOJPYYFMY-XQDHMALISA-N 1 0 304.409 3.172 10 0 DGAERO C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(-c2cccnc2)cc1 ZINC000261885910 432458628 /nfs/dbraw/zinc/45/86/28/432458628.db2.gz SKEMSBCSQBJQKA-HOTGVXAUSA-N 1 0 323.440 3.316 10 0 DGAERO CC(C)[C@H](NCc1nc(N(C)C)no1)c1ccccc1Cl ZINC000192782974 432412347 /nfs/dbraw/zinc/41/23/47/432412347.db2.gz GXVIAIJJTOCSFR-AWEZNQCLSA-N 1 0 308.813 3.276 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1ccnn1C ZINC000192776168 432412666 /nfs/dbraw/zinc/41/26/66/432412666.db2.gz DVFRSNUHGUZWIB-SJLPKXTDSA-N 1 0 312.461 3.125 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1ccnn1C ZINC000192776117 432413770 /nfs/dbraw/zinc/41/37/70/432413770.db2.gz DVFRSNUHGUZWIB-WMZOPIPTSA-N 1 0 312.461 3.125 10 0 DGAERO Cc1cc(=O)[nH]c([C@H](C)N2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000192811729 432416229 /nfs/dbraw/zinc/41/62/29/432416229.db2.gz ILILNYJSQSDUEV-QWRGUYRKSA-N 1 0 317.355 3.462 10 0 DGAERO Cc1cc(=O)[nH]c([C@@H](C)N2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000192811710 432417135 /nfs/dbraw/zinc/41/71/35/432417135.db2.gz ILILNYJSQSDUEV-MNOVXSKESA-N 1 0 317.355 3.462 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1C ZINC000192812769 432418559 /nfs/dbraw/zinc/41/85/59/432418559.db2.gz BIESKZKHAGVNTB-SJLPKXTDSA-N 1 0 310.445 3.413 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000153566929 432420145 /nfs/dbraw/zinc/42/01/45/432420145.db2.gz VHHMZUZVDGLSBQ-KRWDZBQOSA-N 1 0 320.458 3.073 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2csc(Br)c2)[C@@H]2CCO[C@@H]21 ZINC000153954595 432458859 /nfs/dbraw/zinc/45/88/59/432458859.db2.gz ZNCVQZDQWKBBAO-WCQGTBRESA-N 1 0 316.264 3.414 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1SC ZINC000175295971 432422349 /nfs/dbraw/zinc/42/23/49/432422349.db2.gz SCTBDCKMMAMGDM-UONOGXRCSA-N 1 0 319.474 3.499 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(-c2cccs2)on1 ZINC000175362515 432427631 /nfs/dbraw/zinc/42/76/31/432427631.db2.gz KDXBTBDSQBMMBP-CQSZACIVSA-N 1 0 305.447 3.319 10 0 DGAERO Cc1nc2ccc(CN3CC[NH2+]C[C@@H]3c3ccncc3)cc2s1 ZINC000262056524 432470994 /nfs/dbraw/zinc/47/09/94/432470994.db2.gz QSUNRUKGXTWWAF-QGZVFWFLSA-N 1 0 324.453 3.146 10 0 DGAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000175855845 432471169 /nfs/dbraw/zinc/47/11/69/432471169.db2.gz YEMIPHDDWHEUNC-KRWDZBQOSA-N 1 0 323.820 3.477 10 0 DGAERO CC(C)([NH3+])CN1CCC[C@H]1c1ccc(Br)s1 ZINC000262044167 432471931 /nfs/dbraw/zinc/47/19/31/432471931.db2.gz YQHMNLOISYUONR-VIFPVBQESA-N 1 0 303.269 3.385 10 0 DGAERO C[NH2+]CCC1CCN(C(=O)c2ccc(F)c(CSC)c2)CC1 ZINC000262069142 432472197 /nfs/dbraw/zinc/47/21/97/432472197.db2.gz OZLIBWBQOVUEEH-UHFFFAOYSA-N 1 0 324.465 3.150 10 0 DGAERO CCCN(Cc1sc(C)nc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000262093637 432472612 /nfs/dbraw/zinc/47/26/12/432472612.db2.gz HIIUATLXQBIARV-JTQLQIEISA-N 1 0 307.385 3.044 10 0 DGAERO [NH3+]Cc1ccc(-c2noc(Cc3ccc4c(c3)CCC4)n2)cc1 ZINC000262095405 432472946 /nfs/dbraw/zinc/47/29/46/432472946.db2.gz VBVSVQCITVJJOD-UHFFFAOYSA-N 1 0 305.381 3.275 10 0 DGAERO CCOc1ccc(CCc2nc(-c3ccc(C[NH3+])cc3)no2)cc1 ZINC000262085387 432473657 /nfs/dbraw/zinc/47/36/57/432473657.db2.gz UHDMLCVAYDPQAZ-UHFFFAOYSA-N 1 0 323.396 3.379 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000175885720 432474317 /nfs/dbraw/zinc/47/43/17/432474317.db2.gz NDOIWLSJMWKTMU-STQMWFEESA-N 1 0 300.406 3.114 10 0 DGAERO Cc1cccc(CN(Cc2cccc(C)n2)C[C@]2(C)CC[NH2+]C2)n1 ZINC000262130457 432475613 /nfs/dbraw/zinc/47/56/13/432475613.db2.gz YCMQSTQJXSFHLU-HXUWFJFHSA-N 1 0 324.472 3.095 10 0 DGAERO CCC1(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCC1 ZINC000175900180 432476188 /nfs/dbraw/zinc/47/61/88/432476188.db2.gz WOHLHSUTPKOEDT-UHFFFAOYSA-N 1 0 315.461 3.414 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccccn3)C2)c1 ZINC000154151955 432476771 /nfs/dbraw/zinc/47/67/71/432476771.db2.gz ZKKMOEJLTGUBPL-JKSUJKDBSA-N 1 0 311.429 3.267 10 0 DGAERO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccncc3)C2)c1 ZINC000154153294 432477482 /nfs/dbraw/zinc/47/74/82/432477482.db2.gz JZIRDCGBLFRNFE-HOTGVXAUSA-N 1 0 311.429 3.267 10 0 DGAERO CCn1cnnc1C1CC[NH+](CCCc2ccccc2C)CC1 ZINC000175906639 432477743 /nfs/dbraw/zinc/47/77/43/432477743.db2.gz HEJMSRMJHDWBDN-UHFFFAOYSA-N 1 0 312.461 3.419 10 0 DGAERO O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262230114 432478773 /nfs/dbraw/zinc/47/87/73/432478773.db2.gz QGWNUIXCKDHVTM-PWNZVWSESA-N 1 0 318.383 3.004 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3csc(-c4ccccc4)n3)C[C@H]21 ZINC000262289262 432480313 /nfs/dbraw/zinc/48/03/13/432480313.db2.gz NAHWMJVZFHGNAJ-DJIMGWMZSA-N 1 0 313.470 3.369 10 0 DGAERO C[C@H]1C[C@@H](C(=O)N(CCc2ccccc2)C2CCCC2)CC[NH2+]1 ZINC000262315276 432482072 /nfs/dbraw/zinc/48/20/72/432482072.db2.gz BEORDDYIEGNNET-WMZOPIPTSA-N 1 0 314.473 3.388 10 0 DGAERO CCOc1ccccc1CN1CC[S@](=O)C(CC)(CC)C1 ZINC000185244813 432482669 /nfs/dbraw/zinc/48/26/69/432482669.db2.gz NRULVEOSMNRKFQ-NRFANRHFSA-N 1 0 309.475 3.208 10 0 DGAERO CSc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175984755 432484165 /nfs/dbraw/zinc/48/41/65/432484165.db2.gz RDALAHAUZNFBEK-CABCVRRESA-N 1 0 321.490 3.081 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000175998439 432485378 /nfs/dbraw/zinc/48/53/78/432485378.db2.gz HEDMHJWGFTZSNO-SFHVURJKSA-N 1 0 301.434 3.354 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000185316359 432489659 /nfs/dbraw/zinc/48/96/59/432489659.db2.gz FADNCAOVKSEZRQ-INIZCTEOSA-N 1 0 317.433 3.008 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000185326643 432491239 /nfs/dbraw/zinc/49/12/39/432491239.db2.gz UDNUDEAEFXHEAX-CYBMUJFWSA-N 1 0 309.841 3.066 10 0 DGAERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1Cl ZINC000262568359 432491413 /nfs/dbraw/zinc/49/14/13/432491413.db2.gz XBVHXXKYRPEJEF-HACGYAERSA-N 1 0 322.836 3.119 10 0 DGAERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1Cl ZINC000262568366 432491854 /nfs/dbraw/zinc/49/18/54/432491854.db2.gz XBVHXXKYRPEJEF-RVSPLBMKSA-N 1 0 322.836 3.119 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000185341025 432492225 /nfs/dbraw/zinc/49/22/25/432492225.db2.gz MWGNHVCSCPEXDC-ZDUSSCGKSA-N 1 0 306.381 3.320 10 0 DGAERO C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262595693 432493293 /nfs/dbraw/zinc/49/32/93/432493293.db2.gz USYISWBCFGDOJN-MJVIPROJSA-N 1 0 312.866 3.064 10 0 DGAERO C[C@H](CC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)[C@@H]1CCC[NH2+]C1 ZINC000262620496 432494196 /nfs/dbraw/zinc/49/41/96/432494196.db2.gz OUSXQPVTJQGRDP-IUTNDFCKSA-N 1 0 304.478 3.049 10 0 DGAERO CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262612928 432495159 /nfs/dbraw/zinc/49/51/59/432495159.db2.gz WMIKESCLDPACQG-SQNIBIBYSA-N 1 0 318.461 3.096 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)ccc1F ZINC000154404917 432496590 /nfs/dbraw/zinc/49/65/90/432496590.db2.gz IQKARLXZGKUALP-CYBMUJFWSA-N 1 0 311.376 3.207 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000262715721 432500094 /nfs/dbraw/zinc/50/00/94/432500094.db2.gz VFRSFSNXSWBBSH-KBXCAEBGSA-N 1 0 321.465 3.029 10 0 DGAERO [NH3+]Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)co1 ZINC000262756519 432500635 /nfs/dbraw/zinc/50/06/35/432500635.db2.gz BNMDEDDMSIQUGL-MRXNPFEDSA-N 1 0 302.349 3.245 10 0 DGAERO C[NH+](C)C1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000193818464 432500717 /nfs/dbraw/zinc/50/07/17/432500717.db2.gz XZOZFFXSLLKQPK-UHFFFAOYSA-N 1 0 303.381 3.007 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)ccc1C ZINC000193857071 432503642 /nfs/dbraw/zinc/50/36/42/432503642.db2.gz BZYHIDHUXNOEHY-OAHLLOKOSA-N 1 0 315.417 3.150 10 0 DGAERO CN(C)c1ncccc1C[NH2+]CCSCc1ccccc1 ZINC000193901740 432508620 /nfs/dbraw/zinc/50/86/20/432508620.db2.gz AYRNFOADZIEDAM-UHFFFAOYSA-N 1 0 301.459 3.171 10 0 DGAERO CCOc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1F ZINC000176315578 432509527 /nfs/dbraw/zinc/50/95/27/432509527.db2.gz KEYGFTJLIZJQBT-CQSZACIVSA-N 1 0 323.412 3.172 10 0 DGAERO c1ccc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261920686 432461467 /nfs/dbraw/zinc/46/14/67/432461467.db2.gz KGTJTOAGXUWJLU-AQNXPRMDSA-N 1 0 310.441 3.087 10 0 DGAERO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)Cc1ccccc1 ZINC000261933474 432461489 /nfs/dbraw/zinc/46/14/89/432461489.db2.gz LYQDDXIDYUKNFN-IPMKNSEASA-N 1 0 316.489 3.002 10 0 DGAERO C[C@@H]1CCCC[C@H]1OCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261946403 432464426 /nfs/dbraw/zinc/46/44/26/432464426.db2.gz FIOZAMDBNDLBSM-IUODEOHRSA-N 1 0 301.390 3.291 10 0 DGAERO COc1ccc2nc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)sc2c1 ZINC000261980515 432466436 /nfs/dbraw/zinc/46/64/36/432466436.db2.gz AKFZINGJPAKDJR-ZDUSSCGKSA-N 1 0 319.430 3.022 10 0 DGAERO [NH3+]CCN(CCc1ccccc1)Cc1cc(F)c(F)cc1F ZINC000262037086 432469835 /nfs/dbraw/zinc/46/98/35/432469835.db2.gz ORTDAEUGLFAXKC-UHFFFAOYSA-N 1 0 308.347 3.107 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000155423484 432554083 /nfs/dbraw/zinc/55/40/83/432554083.db2.gz BKFNUWNVFATABI-FZMZJTMJSA-N 1 0 304.365 3.030 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C/C=C/c2cccc(F)c2)[C@H](C)C1 ZINC000176868066 432560647 /nfs/dbraw/zinc/56/06/47/432560647.db2.gz PWHRHJKWSGVMRT-OUEBKFTGSA-N 1 0 318.436 3.418 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(F)c(F)cc1F ZINC000176347764 432513450 /nfs/dbraw/zinc/51/34/50/432513450.db2.gz FVAVZJMENQQMPR-SNVBAGLBSA-N 1 0 315.339 3.052 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(CSC)cc1 ZINC000176340835 432513824 /nfs/dbraw/zinc/51/38/24/432513824.db2.gz QOQIVBHGCOGDLJ-INIZCTEOSA-N 1 0 321.490 3.498 10 0 DGAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCOC[C@@H]2C)c1 ZINC000193988593 432515981 /nfs/dbraw/zinc/51/59/81/432515981.db2.gz JMUYARCOEUPHMN-YOEHRIQHSA-N 1 0 304.434 3.140 10 0 DGAERO Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000176379267 432516967 /nfs/dbraw/zinc/51/69/67/432516967.db2.gz ZUHPTTVZYHWTNF-OAHLLOKOSA-N 1 0 316.474 3.397 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2ccccc2)s1 ZINC000154742049 432519003 /nfs/dbraw/zinc/51/90/03/432519003.db2.gz NTUWGFJRUWYKJZ-GDBMZVCRSA-N 1 0 313.470 3.479 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc(Cl)c2Cl)C1 ZINC000194048617 432520634 /nfs/dbraw/zinc/52/06/34/432520634.db2.gz BLACUTZMGMOQKV-GFCCVEGCSA-N 1 0 315.244 3.136 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1cccc(Cl)c1Cl ZINC000194110671 432525044 /nfs/dbraw/zinc/52/50/44/432525044.db2.gz QEKAXLYYGPOMJC-LLVKDONJSA-N 1 0 317.260 3.382 10 0 DGAERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000176472668 432526449 /nfs/dbraw/zinc/52/64/49/432526449.db2.gz MXQYRSQBNOSXFQ-XLMAVXFVSA-N 1 0 317.477 3.303 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3F)CC[C@@H]21 ZINC000154864482 432527652 /nfs/dbraw/zinc/52/76/52/432527652.db2.gz NDKZAHURFDZKOB-PBHICJAKSA-N 1 0 318.436 3.046 10 0 DGAERO O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000263209076 432527727 /nfs/dbraw/zinc/52/77/27/432527727.db2.gz KBGIBBRSORLUPG-UONOGXRCSA-N 1 0 320.399 3.251 10 0 DGAERO C[C@]1(c2ccccc2)CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263228918 432528978 /nfs/dbraw/zinc/52/89/78/432528978.db2.gz NCTDMHZIXPPKKL-WDSOQIARSA-N 1 0 300.446 3.084 10 0 DGAERO Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)nc(C(C)C)n1 ZINC000154919222 432529307 /nfs/dbraw/zinc/52/93/07/432529307.db2.gz KXTBIGZWDADESX-OAHLLOKOSA-N 1 0 302.466 3.362 10 0 DGAERO Cc1sc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])nc1C(C)C ZINC000263276871 432530394 /nfs/dbraw/zinc/53/03/94/432530394.db2.gz SYZYGTUXLCJQHN-BLLLJJGKSA-N 1 0 309.479 3.099 10 0 DGAERO C/C=C/C[C@@H](CO)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000185812577 432534575 /nfs/dbraw/zinc/53/45/75/432534575.db2.gz ACDBESDUZXQMGZ-IBUXWKBASA-N 1 0 303.324 3.044 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000185831693 432537104 /nfs/dbraw/zinc/53/71/04/432537104.db2.gz HGEYABNQCKPDNL-SWLSCSKDSA-N 1 0 300.402 3.200 10 0 DGAERO COc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000194290508 432538466 /nfs/dbraw/zinc/53/84/66/432538466.db2.gz AMEPTHJWRXROFR-OAHLLOKOSA-N 1 0 324.424 3.325 10 0 DGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186172978 432564805 /nfs/dbraw/zinc/56/48/05/432564805.db2.gz NJXFBNVSAMEISX-ONERCXAPSA-N 1 0 318.218 3.327 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000185893927 432542745 /nfs/dbraw/zinc/54/27/45/432542745.db2.gz HALNOIUDQDHZER-ZWKOTPCHSA-N 1 0 315.461 3.059 10 0 DGAERO CCc1noc(C)c1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000155265279 432547454 /nfs/dbraw/zinc/54/74/54/432547454.db2.gz YJEWTUMUHFKKNI-CYBMUJFWSA-N 1 0 322.453 3.322 10 0 DGAERO CCC[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)[NH+](C)C ZINC000156774400 432608440 /nfs/dbraw/zinc/60/84/40/432608440.db2.gz VPIHLXQVFWCVLH-AWEZNQCLSA-N 1 0 303.431 3.479 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000156871775 432610500 /nfs/dbraw/zinc/61/05/00/432610500.db2.gz UEFCWMWXECSOLZ-CABCVRRESA-N 1 0 321.440 3.178 10 0 DGAERO Fc1ccc(F)c(CC[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000157205759 432616537 /nfs/dbraw/zinc/61/65/37/432616537.db2.gz NIVSYTDDUZGQKM-UHFFFAOYSA-N 1 0 322.321 3.124 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)CCCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000155695696 432567766 /nfs/dbraw/zinc/56/77/66/432567766.db2.gz HVVHATWDOYNNDJ-GUYCJALGSA-N 1 0 324.415 3.132 10 0 DGAERO CCSCc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000194665161 432568067 /nfs/dbraw/zinc/56/80/67/432568067.db2.gz FBJCMHRGPLGHJY-MRXNPFEDSA-N 1 0 306.475 3.154 10 0 DGAERO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000194694570 432569119 /nfs/dbraw/zinc/56/91/19/432569119.db2.gz BEVBKTNVSCXNGH-CVEARBPZSA-N 1 0 318.461 3.096 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]CCc2ccccc2C)C12CCOCC2 ZINC000186209189 432569203 /nfs/dbraw/zinc/56/92/03/432569203.db2.gz IDCZZUHBZUAJDM-ROUUACIJSA-N 1 0 303.446 3.101 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1sccc1-n1cccc1 ZINC000176965206 432571069 /nfs/dbraw/zinc/57/10/69/432571069.db2.gz BVGYAZPWTBWMOI-AWEZNQCLSA-N 1 0 317.458 3.095 10 0 DGAERO CCSCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000176976224 432572369 /nfs/dbraw/zinc/57/23/69/432572369.db2.gz YNNXFIIQQAPHLE-KRWDZBQOSA-N 1 0 320.502 3.496 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000176984715 432572878 /nfs/dbraw/zinc/57/28/78/432572878.db2.gz PAIUHCUVFHPKQE-YMVOSSCXSA-N 1 0 304.478 3.146 10 0 DGAERO FC(F)(F)[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000176983486 432573094 /nfs/dbraw/zinc/57/30/94/432573094.db2.gz KECBWCJLDJJNHZ-ZDUSSCGKSA-N 1 0 310.323 3.042 10 0 DGAERO O[C@]12CCCC[C@@H]1CN(Cc1nc(C(F)(F)F)cs1)CC2 ZINC000155794378 432574900 /nfs/dbraw/zinc/57/49/00/432574900.db2.gz GFCNCXQVESLEGO-MFKMUULPSA-N 1 0 320.380 3.289 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)C12CCOCC2 ZINC000186294856 432579105 /nfs/dbraw/zinc/57/91/05/432579105.db2.gz ONUFEEKJFOWNNK-SJORKVTESA-N 1 0 323.864 3.446 10 0 DGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000155942037 432581811 /nfs/dbraw/zinc/58/18/11/432581811.db2.gz CUJXGPUSHKIXFO-ZBFHGGJFSA-N 1 0 302.466 3.250 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Cl)c1F ZINC000177103587 432586181 /nfs/dbraw/zinc/58/61/81/432586181.db2.gz JTGGUDNYRHNYKQ-GHMZBOCLSA-N 1 0 311.788 3.180 10 0 DGAERO CC(C)Oc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000177128980 432589468 /nfs/dbraw/zinc/58/94/68/432589468.db2.gz MLFRRMUGKZQTDY-GOEBONIOSA-N 1 0 317.433 3.174 10 0 DGAERO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000177178531 432594554 /nfs/dbraw/zinc/59/45/54/432594554.db2.gz ZLTIQJMXAFRKIZ-FUHIMQAGSA-N 1 0 324.468 3.468 10 0 DGAERO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2c3ccccc3NC2=O)c1 ZINC000177187239 432595757 /nfs/dbraw/zinc/59/57/57/432595757.db2.gz FSOBQNDBVLNSDX-CXAGYDPISA-N 1 0 310.397 3.472 10 0 DGAERO O=C(CCc1ccc2ccccc2c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195050104 432599098 /nfs/dbraw/zinc/59/90/98/432599098.db2.gz BWEKIZNPZXUPRM-FQEVSTJZSA-N 1 0 322.452 3.469 10 0 DGAERO CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177232726 432601013 /nfs/dbraw/zinc/60/10/13/432601013.db2.gz WALYQBHXOBFQCK-MORSLUCNSA-N 1 0 324.415 3.068 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)c2ccccc2SC)CC1 ZINC000195389750 432621539 /nfs/dbraw/zinc/62/15/39/432621539.db2.gz MYUVERZPGHRDLW-UHFFFAOYSA-N 1 0 306.475 3.260 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000157675440 432627529 /nfs/dbraw/zinc/62/75/29/432627529.db2.gz GQJVCBSYEFMULT-GHMZBOCLSA-N 1 0 321.412 3.324 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)Cc2cccs2)CC1 ZINC000157754105 432628319 /nfs/dbraw/zinc/62/83/19/432628319.db2.gz TWXSXPLTHHTGHX-AWEZNQCLSA-N 1 0 323.506 3.100 10 0 DGAERO CCSc1ccc(Cl)cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177472952 432628493 /nfs/dbraw/zinc/62/84/93/432628493.db2.gz BXEPGMMOVUDZAH-CYBMUJFWSA-N 1 0 324.877 3.372 10 0 DGAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000158183249 432639448 /nfs/dbraw/zinc/63/94/48/432639448.db2.gz HQBUTWIVWHBESR-SUMWQHHRSA-N 1 0 313.445 3.197 10 0 DGAERO O=C(c1ccc(F)c(Cl)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000212703862 432640127 /nfs/dbraw/zinc/64/01/27/432640127.db2.gz BYYZLENPNKJEHB-WFASDCNBSA-N 1 0 310.800 3.083 10 0 DGAERO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(Cl)c(F)c1 ZINC000212247018 432640914 /nfs/dbraw/zinc/64/09/14/432640914.db2.gz PCVMVASQHJCCSU-LBPRGKRZSA-N 1 0 314.832 3.241 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)c1ccccc1F ZINC000158291277 432641839 /nfs/dbraw/zinc/64/18/39/432641839.db2.gz OTXHRSAYMQZHRP-AWEZNQCLSA-N 1 0 308.441 3.196 10 0 DGAERO COc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1F ZINC000187038875 432643500 /nfs/dbraw/zinc/64/35/00/432643500.db2.gz QQMIHSKEQAQKGW-CQSZACIVSA-N 1 0 323.412 3.076 10 0 DGAERO CCCCCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195314751 432618292 /nfs/dbraw/zinc/61/82/92/432618292.db2.gz CKOZOEHVEFIRMW-QGZVFWFLSA-N 1 0 316.445 3.176 10 0 DGAERO CC(=O)Oc1ccc(CN2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000159064149 432669193 /nfs/dbraw/zinc/66/91/93/432669193.db2.gz XGULAOGUUXWHAI-SFHVURJKSA-N 1 0 315.369 3.087 10 0 DGAERO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000216375282 432650745 /nfs/dbraw/zinc/65/07/45/432650745.db2.gz KIYFKCAABLJBJT-KBRIMQKVSA-N 1 0 311.853 3.386 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177690701 432651459 /nfs/dbraw/zinc/65/14/59/432651459.db2.gz AGUCETNSQKDDGW-CQSZACIVSA-N 1 0 317.408 3.254 10 0 DGAERO C[C@@H](CCn1cccn1)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000158706928 432655904 /nfs/dbraw/zinc/65/59/04/432655904.db2.gz WKLXFLVEZFWCCX-LPHOPBHVSA-N 1 0 306.413 3.436 10 0 DGAERO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@]1(CCO)CCOC1)CCS2 ZINC000187306788 432656509 /nfs/dbraw/zinc/65/65/09/432656509.db2.gz LANBERGDBKEWKT-AEFFLSMTSA-N 1 0 321.486 3.219 10 0 DGAERO CCc1oc(C(=O)NCc2ccccc2C[NH+](C)C)cc1C ZINC000177749082 432658048 /nfs/dbraw/zinc/65/80/48/432658048.db2.gz DYAMCKVQUBCPQY-UHFFFAOYSA-N 1 0 300.402 3.142 10 0 DGAERO C[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000265131228 432669892 /nfs/dbraw/zinc/66/98/92/432669892.db2.gz ISWADWMSNAWGED-GOEBONIOSA-N 1 0 317.454 3.245 10 0 DGAERO CCN(C(=O)N[C@@H](C)C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159040245 432668390 /nfs/dbraw/zinc/66/83/90/432668390.db2.gz BZXFZJHHEODWEN-FUHWJXTLSA-N 1 0 317.477 3.337 10 0 DGAERO O=C(NCCc1ccsc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178116529 432696752 /nfs/dbraw/zinc/69/67/52/432696752.db2.gz SSZHHNHNDKJRMT-HNNXBMFYSA-N 1 0 306.475 3.061 10 0 DGAERO C[C@@H](O)C1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000225796202 432697242 /nfs/dbraw/zinc/69/72/42/432697242.db2.gz QLLPUUSYESRFGE-LLVKDONJSA-N 1 0 318.244 3.465 10 0 DGAERO CC[C@@H](NC1CC[NH+](CC2CCCC2)CC1)c1cnn(C)c1 ZINC000178158011 432699835 /nfs/dbraw/zinc/69/98/35/432699835.db2.gz SEUNBVPDBRMKLI-GOSISDBHSA-N 1 0 304.482 3.115 10 0 DGAERO CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)CC2 ZINC000188138218 432708027 /nfs/dbraw/zinc/70/80/27/432708027.db2.gz IILHTLAKXFKTJU-FUHWJXTLSA-N 1 0 315.461 3.143 10 0 DGAERO OCC[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000227568560 432711220 /nfs/dbraw/zinc/71/12/20/432711220.db2.gz OTSHGTPARQHCKU-GFCCVEGCSA-N 1 0 306.793 3.199 10 0 DGAERO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2nccnc2C)n1 ZINC000188241546 432713144 /nfs/dbraw/zinc/71/31/44/432713144.db2.gz NAHLMZKPPGDJNJ-OAHLLOKOSA-N 1 0 307.401 3.130 10 0 DGAERO CC(C)(C)[NH2+]CCNCc1cc(F)cc(Br)c1 ZINC000228727134 432717989 /nfs/dbraw/zinc/71/79/89/432717989.db2.gz MDHLAXLZISRUHU-UHFFFAOYSA-N 1 0 303.219 3.066 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000178302860 432718913 /nfs/dbraw/zinc/71/89/13/432718913.db2.gz YHMBHGQZQJYXQI-SJORKVTESA-N 1 0 319.836 3.043 10 0 DGAERO CSC[C@H](C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000229361898 432720534 /nfs/dbraw/zinc/72/05/34/432720534.db2.gz FXOSSCUKLQKJDR-VHSXEESVSA-N 1 0 324.273 3.074 10 0 DGAERO CCC1(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000178333728 432721502 /nfs/dbraw/zinc/72/15/02/432721502.db2.gz JFZUYKARTJHDFY-UHFFFAOYSA-N 1 0 315.461 3.283 10 0 DGAERO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000230167405 432723924 /nfs/dbraw/zinc/72/39/24/432723924.db2.gz TYVNZLQLPMSJRK-CYBMUJFWSA-N 1 0 308.422 3.189 10 0 DGAERO CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1nccs1 ZINC000159141759 432672015 /nfs/dbraw/zinc/67/20/15/432672015.db2.gz DQFCLJQPLYMWIE-ZIAGYGMSSA-N 1 0 324.494 3.014 10 0 DGAERO Cc1ccc([C@H]2CN(CCCCCn3cccn3)CCO2)o1 ZINC000159156910 432672826 /nfs/dbraw/zinc/67/28/26/432672826.db2.gz GBSAMYQVHMFAJO-QGZVFWFLSA-N 1 0 303.406 3.028 10 0 DGAERO C[C@@H]1CN(c2ccc(C[NH2+]CCC(C)(C)C)cn2)C[C@H](C)O1 ZINC000187670580 432676945 /nfs/dbraw/zinc/67/69/45/432676945.db2.gz XQXKIGFEUTZIJT-GASCZTMLSA-N 1 0 305.466 3.221 10 0 DGAERO COC[C@H](C)C[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000187714330 432679274 /nfs/dbraw/zinc/67/92/74/432679274.db2.gz DJDCHNDWPVIRLO-CQSZACIVSA-N 1 0 311.853 3.260 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000159342368 432680519 /nfs/dbraw/zinc/68/05/19/432680519.db2.gz GPUGFMOPSQJURC-KDOFPFPSSA-N 1 0 324.440 3.320 10 0 DGAERO COc1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)ccc1O ZINC000178012522 432684643 /nfs/dbraw/zinc/68/46/43/432684643.db2.gz PXRZFYLEMAMFAZ-CQSZACIVSA-N 1 0 303.333 3.153 10 0 DGAERO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)cc1 ZINC000178055993 432689628 /nfs/dbraw/zinc/68/96/28/432689628.db2.gz OIQBFGNONBJXCY-MRXNPFEDSA-N 1 0 311.364 3.042 10 0 DGAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1NC(C)=O ZINC000187870881 432689848 /nfs/dbraw/zinc/68/98/48/432689848.db2.gz GPHSUJVKOCRQQM-WFASDCNBSA-N 1 0 320.433 3.262 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178049056 432689985 /nfs/dbraw/zinc/68/99/85/432689985.db2.gz WWHIIEFBESSNGY-CQSZACIVSA-N 1 0 307.401 3.076 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)cc1 ZINC000178055763 432690016 /nfs/dbraw/zinc/69/00/16/432690016.db2.gz ADKRIVCXIJSOPL-GFCCVEGCSA-N 1 0 313.792 3.167 10 0 DGAERO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187853412 432690013 /nfs/dbraw/zinc/69/00/13/432690013.db2.gz CFRUFKQEDKZWRS-DOMZBBRYSA-N 1 0 308.397 3.090 10 0 DGAERO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187861456 432690137 /nfs/dbraw/zinc/69/01/37/432690137.db2.gz KGXHAERSBRGPLM-DOMZBBRYSA-N 1 0 308.397 3.090 10 0 DGAERO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc(F)c1 ZINC000187880504 432691805 /nfs/dbraw/zinc/69/18/05/432691805.db2.gz QEMJSYWKOKWKAY-QGZVFWFLSA-N 1 0 300.377 3.296 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236550475 432747916 /nfs/dbraw/zinc/74/79/16/432747916.db2.gz KQTZOBQWMDPZLX-MFKMUULPSA-N 1 0 318.642 3.353 10 0 DGAERO c1ccc(CN2CCC[C@@H]([NH2+][C@@H]3COc4ccccc43)C2)cc1 ZINC000236591061 432749279 /nfs/dbraw/zinc/74/92/79/432749279.db2.gz FPMOPBALCYPNJG-IEBWSBKVSA-N 1 0 308.425 3.374 10 0 DGAERO CC(C)OCc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236602533 432749356 /nfs/dbraw/zinc/74/93/56/432749356.db2.gz ANIQLGOHYIOHPG-SZMVWBNQSA-N 1 0 316.445 3.471 10 0 DGAERO CC(C)(C)c1ccc(-c2ccc(C(=O)NCCC[NH3+])o2)cc1 ZINC000236613856 432750622 /nfs/dbraw/zinc/75/06/22/432750622.db2.gz PXGXNPZYFYIAHP-UHFFFAOYSA-N 1 0 300.402 3.323 10 0 DGAERO CCC[C@H](C(=O)N(CC)Cc1c[nH]c2ccccc12)[NH+](C)C ZINC000188883302 432751318 /nfs/dbraw/zinc/75/13/18/432751318.db2.gz QFSRKYSNDFFYKT-QGZVFWFLSA-N 1 0 301.434 3.247 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(F)cc1N(C)C ZINC000178565864 432753226 /nfs/dbraw/zinc/75/32/26/432753226.db2.gz LUXRJKRWMNDZNM-GFCCVEGCSA-N 1 0 320.383 3.374 10 0 DGAERO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C(C)C)c(OC)c1 ZINC000178579038 432753469 /nfs/dbraw/zinc/75/34/69/432753469.db2.gz ZZVZPAKXQLNCHK-ZIAGYGMSSA-N 1 0 322.449 3.303 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1F ZINC000236681246 432756696 /nfs/dbraw/zinc/75/66/96/432756696.db2.gz OGVQSLKREYYXKI-JQFCIGGWSA-N 1 0 318.436 3.140 10 0 DGAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(-c2cccnc2)cc1 ZINC000178844235 432782331 /nfs/dbraw/zinc/78/23/31/432782331.db2.gz NMOXRGSEVMPIFL-KDOFPFPSSA-N 1 0 309.413 3.068 10 0 DGAERO Cc1cc(F)ccc1-c1ccc(CN2CCCNC(=O)[C@@H]2C)o1 ZINC000189079183 432762131 /nfs/dbraw/zinc/76/21/31/432762131.db2.gz LYOFTRLZGRRIKO-ZDUSSCGKSA-N 1 0 316.376 3.105 10 0 DGAERO CCCCCOc1cc(C)ccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236762674 432763398 /nfs/dbraw/zinc/76/33/98/432763398.db2.gz TVZIYUNMTIPVSE-WBVHZDCISA-N 1 0 318.461 3.308 10 0 DGAERO CCc1cccc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000189205162 432769353 /nfs/dbraw/zinc/76/93/53/432769353.db2.gz NQKVGWYNDKFKNM-IBGZPJMESA-N 1 0 312.461 3.370 10 0 DGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)n1 ZINC000178813116 432778622 /nfs/dbraw/zinc/77/86/22/432778622.db2.gz YCRPIAKMZQGFOH-KGLIPLIRSA-N 1 0 321.490 3.115 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000188543254 432731114 /nfs/dbraw/zinc/73/11/14/432731114.db2.gz HMKYXWAGJYQRHV-WFASDCNBSA-N 1 0 318.383 3.180 10 0 DGAERO COCCC[C@H](C)[NH2+][C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000178426768 432734507 /nfs/dbraw/zinc/73/45/07/432734507.db2.gz MICVWSBZZVONLC-HOTGVXAUSA-N 1 0 306.450 3.069 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000178444275 432736968 /nfs/dbraw/zinc/73/69/68/432736968.db2.gz QZENUQWBCYSQBD-MEDUHNTESA-N 1 0 307.340 3.358 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1OC)c1ccc(OC)cc1 ZINC000178445577 432738159 /nfs/dbraw/zinc/73/81/59/432738159.db2.gz JGEKYDQBZVHROI-MSOLQXFVSA-N 1 0 315.413 3.478 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000178445823 432738445 /nfs/dbraw/zinc/73/84/45/432738445.db2.gz CUXDHWRPXNRQAR-DYVFJYSZSA-N 1 0 313.397 3.014 10 0 DGAERO C[C@H](CCO)[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178496121 432743365 /nfs/dbraw/zinc/74/33/65/432743365.db2.gz AZVGMVDEHFABMW-MFKMUULPSA-N 1 0 314.223 3.023 10 0 DGAERO CCC[C@@H](C(=O)N1CC[C@@H](CSc2ccccc2)C1)[NH+](C)C ZINC000162338163 432820677 /nfs/dbraw/zinc/82/06/77/432820677.db2.gz HGVLIPIQWXHUQA-WBVHZDCISA-N 1 0 320.502 3.358 10 0 DGAERO CSc1ccc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000245202999 432824822 /nfs/dbraw/zinc/82/48/22/432824822.db2.gz YILMYFXPVFJODR-HZSPNIEDSA-N 1 0 306.475 3.286 10 0 DGAERO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)C(C)(C)c1ccccc1 ZINC000162507595 432825878 /nfs/dbraw/zinc/82/58/78/432825878.db2.gz KPGFKQAKTLZLPG-MRXNPFEDSA-N 1 0 310.441 3.372 10 0 DGAERO C[C@H]1CC[N@H+](CC(=O)N(C)CC2CC2)[C@H]1c1cccc(F)c1 ZINC000245411286 432827762 /nfs/dbraw/zinc/82/77/62/432827762.db2.gz WDKSLKLNRCVPCF-SCLBCKFNSA-N 1 0 304.409 3.077 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C/C=C/c1ccc(F)cc1 ZINC000245413123 432828156 /nfs/dbraw/zinc/82/81/56/432828156.db2.gz AXLZVSXCAVJSIC-PUWFUPIHSA-N 1 0 316.420 3.314 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000245429907 432829094 /nfs/dbraw/zinc/82/90/94/432829094.db2.gz KZWRLIHQZBUIAP-QLFBSQMISA-N 1 0 322.399 3.011 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](SC)c1ccccc1 ZINC000245439239 432830375 /nfs/dbraw/zinc/83/03/75/432830375.db2.gz ZGCXOPSBZJQSHT-HOTGVXAUSA-N 1 0 306.475 3.033 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](C)c1ccccc1F ZINC000245437448 432830993 /nfs/dbraw/zinc/83/09/93/432830993.db2.gz WKBHECXJFIAACL-GJZGRUSLSA-N 1 0 306.425 3.262 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245464151 432834688 /nfs/dbraw/zinc/83/46/88/432834688.db2.gz HRKVNIAZKVFQOC-BQFCYCMXSA-N 1 0 315.461 3.058 10 0 DGAERO Clc1cnc(NC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000162813277 432835599 /nfs/dbraw/zinc/83/55/99/432835599.db2.gz RQVMVOUMLUZCBL-VIFPVBQESA-N 1 0 304.619 3.052 10 0 DGAERO CCC[C@H](C(=O)NCc1ccc(F)cc1C(F)(F)F)[NH+](C)C ZINC000161582973 432787821 /nfs/dbraw/zinc/78/78/21/432787821.db2.gz PPKXNIOZXLMKCO-CYBMUJFWSA-N 1 0 320.330 3.191 10 0 DGAERO Cc1ccccc1SCC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000161601640 432788497 /nfs/dbraw/zinc/78/84/97/432788497.db2.gz HXVNHANCLSQBQE-MRXNPFEDSA-N 1 0 320.502 3.181 10 0 DGAERO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000189512870 432794388 /nfs/dbraw/zinc/79/43/88/432794388.db2.gz VNWOAPPFQQRVIR-QWHCGFSZSA-N 1 0 307.419 3.484 10 0 DGAERO Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000237664767 432795860 /nfs/dbraw/zinc/79/58/60/432795860.db2.gz KEZFTVCYKVGKIE-ZWKOTPCHSA-N 1 0 312.457 3.357 10 0 DGAERO Cc1ccc([C@H]2CCCN2C(=O)CCC2CC[NH2+]CC2)s1 ZINC000237655610 432796128 /nfs/dbraw/zinc/79/61/28/432796128.db2.gz GURAXWPTXXTRCV-OAHLLOKOSA-N 1 0 306.475 3.500 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000189552743 432799741 /nfs/dbraw/zinc/79/97/41/432799741.db2.gz XNXKTPJYUGKAMQ-KRWDZBQOSA-N 1 0 315.461 3.190 10 0 DGAERO COC(=O)[C@@H]1CCC[N@H+](CCCCCOc2ccccc2)C1 ZINC000189605581 432803567 /nfs/dbraw/zinc/80/35/67/432803567.db2.gz OBVSGOXDGIMZAT-MRXNPFEDSA-N 1 0 305.418 3.121 10 0 DGAERO CCn1cc([C@H]2CN(c3cc[nH+]c4ccccc43)CCO2)cn1 ZINC000189606033 432803576 /nfs/dbraw/zinc/80/35/76/432803576.db2.gz RKDLDGFMIJIVJZ-GOSISDBHSA-N 1 0 308.385 3.029 10 0 DGAERO CCC[C@H](C(=O)NCc1cccc(COC(C)(C)C)c1)[NH+](C)C ZINC000161929045 432804460 /nfs/dbraw/zinc/80/44/60/432804460.db2.gz WZWVOBGWMQRHBF-QGZVFWFLSA-N 1 0 320.477 3.348 10 0 DGAERO C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000161922546 432804489 /nfs/dbraw/zinc/80/44/89/432804489.db2.gz ZSLGYGOVXPKBMM-MRXNPFEDSA-N 1 0 306.425 3.153 10 0 DGAERO CCC[C@@H](C(=O)NCc1cccc(COC(C)(C)C)c1)[NH+](C)C ZINC000161928902 432804602 /nfs/dbraw/zinc/80/46/02/432804602.db2.gz WZWVOBGWMQRHBF-KRWDZBQOSA-N 1 0 320.477 3.348 10 0 DGAERO O=C(CCCOc1ccccc1Cl)NCC[C@@H]1CCC[NH2+]C1 ZINC000237923927 432804627 /nfs/dbraw/zinc/80/46/27/432804627.db2.gz JWPFCMNBNOSHPI-AWEZNQCLSA-N 1 0 324.852 3.005 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CCS1 ZINC000245514567 432838702 /nfs/dbraw/zinc/83/87/02/432838702.db2.gz GBSXDRBLRPXHBN-WMLDXEAASA-N 1 0 307.459 3.182 10 0 DGAERO CC(C)Cc1ncc(C[NH2+]C[C@H](c2ccco2)N(C)C)s1 ZINC000161950874 432805647 /nfs/dbraw/zinc/80/56/47/432805647.db2.gz INYVSGGHBXHOBJ-CQSZACIVSA-N 1 0 307.463 3.327 10 0 DGAERO CCC[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1CCCCO1 ZINC000189660539 432808659 /nfs/dbraw/zinc/80/86/59/432808659.db2.gz FECPALAQFANSOW-LBPRGKRZSA-N 1 0 315.351 3.185 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000238039900 432810409 /nfs/dbraw/zinc/81/04/09/432810409.db2.gz IATAMXICUATYMF-YOEHRIQHSA-N 1 0 318.436 3.271 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)O1 ZINC000189722133 432814058 /nfs/dbraw/zinc/81/40/58/432814058.db2.gz XQLULEOOCKHASP-ROUUACIJSA-N 1 0 319.445 3.292 10 0 DGAERO CC1(C)CC[C@H](C[NH2+]Cc2csc(-c3ccccn3)n2)O1 ZINC000189736588 432815536 /nfs/dbraw/zinc/81/55/36/432815536.db2.gz RKMVIOORQQXLFV-CYBMUJFWSA-N 1 0 303.431 3.252 10 0 DGAERO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)o1 ZINC000245763174 432861874 /nfs/dbraw/zinc/86/18/74/432861874.db2.gz QEPKLKNXWDQYHS-SOLBZPMBSA-N 1 0 318.461 3.090 10 0 DGAERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000245804329 432864357 /nfs/dbraw/zinc/86/43/57/432864357.db2.gz YFLMRFCYZAMYJW-UONOGXRCSA-N 1 0 321.465 3.072 10 0 DGAERO C[C@H](O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000245835723 432865520 /nfs/dbraw/zinc/86/55/20/432865520.db2.gz CMVSORWZEHZXKN-LIRZEXBASA-N 1 0 301.430 3.177 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000245970846 432873313 /nfs/dbraw/zinc/87/33/13/432873313.db2.gz VTNYASANPBNMIR-FPCVCCKLSA-N 1 0 318.486 3.245 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000246028983 432874756 /nfs/dbraw/zinc/87/47/56/432874756.db2.gz NJJBGMADEZQJLG-DOTOQJQBSA-N 1 0 303.450 3.497 10 0 DGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1cc(Cl)nc(C2CC2)n1 ZINC000162993207 432839800 /nfs/dbraw/zinc/83/98/00/432839800.db2.gz DUODVNLBGYBLDI-DGCLKSJQSA-N 1 0 306.841 3.070 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC000245556288 432844305 /nfs/dbraw/zinc/84/43/05/432844305.db2.gz RYTBTHXYPPEFNH-UKRRQHHQSA-N 1 0 308.853 3.119 10 0 DGAERO CCc1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1C ZINC000245565025 432844769 /nfs/dbraw/zinc/84/47/69/432844769.db2.gz ZKIPCYVSGODBEF-PBHICJAKSA-N 1 0 301.434 3.258 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000163280921 432847328 /nfs/dbraw/zinc/84/73/28/432847328.db2.gz SFHVSMUOJPQOPT-WMZOPIPTSA-N 1 0 304.478 3.053 10 0 DGAERO C[C@@H](C[N@@H+]1CCC[C@@H]1CC1CCCCC1)CS(C)(=O)=O ZINC000163270715 432848392 /nfs/dbraw/zinc/84/83/92/432848392.db2.gz IQGFOGVYQIWXLV-GOEBONIOSA-N 1 0 301.496 3.102 10 0 DGAERO C[C@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C[C@H]1n1ccnc1 ZINC000245612038 432848692 /nfs/dbraw/zinc/84/86/92/432848692.db2.gz VYUWFFDQIVCCTG-WMLDXEAASA-N 1 0 315.392 3.178 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CCN1C ZINC000245620171 432850111 /nfs/dbraw/zinc/85/01/11/432850111.db2.gz WKDWDGNNNDPVNN-ZSGPHXLJSA-N 1 0 321.896 3.158 10 0 DGAERO Cc1cc(C)c(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000245621415 432850847 /nfs/dbraw/zinc/85/08/47/432850847.db2.gz WTKOYXUXLBUCNG-IRXDYDNUSA-N 1 0 302.462 3.095 10 0 DGAERO CN1CC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)[C@H]1c1ccccc1 ZINC000245636464 432850969 /nfs/dbraw/zinc/85/09/69/432850969.db2.gz JMXKZJWTCHSJNI-TZIWHRDSSA-N 1 0 320.436 3.497 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ccccn1 ZINC000245626374 432851950 /nfs/dbraw/zinc/85/19/50/432851950.db2.gz YLSGVYRQLOPZPU-RZAIGCCYSA-N 1 0 317.383 3.456 10 0 DGAERO CCCCC[C@@H](CC)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000245645586 432852529 /nfs/dbraw/zinc/85/25/29/432852529.db2.gz FUALIMSHLPYBBS-DLBZAZTESA-N 1 0 324.509 3.305 10 0 DGAERO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000245682951 432855265 /nfs/dbraw/zinc/85/52/65/432855265.db2.gz VSGRJEBXCDXFGS-IPELMVKDSA-N 1 0 323.440 3.492 10 0 DGAERO CCCOc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000245684791 432855425 /nfs/dbraw/zinc/85/54/25/432855425.db2.gz AJMSENPUIJIXPO-RDJZCZTQSA-N 1 0 320.477 3.399 10 0 DGAERO COc1c(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)c(C)nn1C ZINC000245687107 432855569 /nfs/dbraw/zinc/85/55/69/432855569.db2.gz ATVAJBAQHHYKIV-PXAZEXFGSA-N 1 0 317.408 3.459 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(F)F)c1 ZINC000245702550 432856984 /nfs/dbraw/zinc/85/69/84/432856984.db2.gz BQRDPGYGOYHSDI-FZMZJTMJSA-N 1 0 309.360 3.325 10 0 DGAERO COc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1OC ZINC000245733183 432859517 /nfs/dbraw/zinc/85/95/17/432859517.db2.gz KDKHEYDRWHEZCE-SJORKVTESA-N 1 0 318.461 3.151 10 0 DGAERO c1cn(-c2ccccc2)nc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000341140337 432974241 /nfs/dbraw/zinc/97/42/41/432974241.db2.gz DMXLSBXSUWDBMZ-FQEVSTJZSA-N 1 0 324.472 3.323 10 0 DGAERO CCCc1csc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000333192353 433039459 /nfs/dbraw/zinc/03/94/59/433039459.db2.gz VKGDNWDJVCEINJ-UHFFFAOYSA-N 1 0 322.478 3.093 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000349944455 433039755 /nfs/dbraw/zinc/03/97/55/433039755.db2.gz GMAQFJBLOINWHU-CYBMUJFWSA-N 1 0 315.442 3.206 10 0 DGAERO O=C(Nc1cccc2cccnc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333209798 433040690 /nfs/dbraw/zinc/04/06/90/433040690.db2.gz ZKMDJYOJYWAUFD-UHFFFAOYSA-N 1 0 324.428 3.232 10 0 DGAERO CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1nnc2ccccn21 ZINC000446880954 433124492 /nfs/dbraw/zinc/12/44/92/433124492.db2.gz KYMSHTSFDPXPTJ-KRWDZBQOSA-N 1 0 324.428 3.060 10 0 DGAERO O=C(NCCCCC[NH+]1CCCCC1)N1CCCC12CCC2 ZINC000373219150 433134127 /nfs/dbraw/zinc/13/41/27/433134127.db2.gz VFITUQGDQSTZOR-UHFFFAOYSA-N 1 0 307.482 3.371 10 0 DGAERO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)C3(OC)CCOCC3)C2)c1 ZINC000453347225 433108105 /nfs/dbraw/zinc/10/81/05/433108105.db2.gz FMQOHCHMJZRZPG-DJIMGWMZSA-N 1 0 319.445 3.115 10 0 DGAERO CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1ccc(Br)cc1 ZINC000453418812 433171058 /nfs/dbraw/zinc/17/10/58/433171058.db2.gz VESSRTYWKWQQSX-OLZOCXBDSA-N 1 0 313.239 3.014 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000157631467 292749781 /nfs/dbraw/zinc/74/97/81/292749781.db2.gz BTIMJYMGFSOJPU-UHFFFAOYSA-N 1 0 323.868 3.261 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(OCc2ccccc2)cc1 ZINC000336648008 433174659 /nfs/dbraw/zinc/17/46/59/433174659.db2.gz WSOUPFGNCBJUOP-DNVCBOLYSA-N 1 0 324.424 3.195 10 0 DGAERO NC(=O)N1CCC([NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000157875912 292754425 /nfs/dbraw/zinc/75/44/25/292754425.db2.gz VVTFBQPOCSVCAG-LJQANCHMSA-N 1 0 323.440 3.103 10 0 DGAERO c1ccc(-c2ccc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cn2)nc1 ZINC000425400185 433222892 /nfs/dbraw/zinc/22/28/92/433222892.db2.gz CITIJRKMRUWLJP-MRXNPFEDSA-N 1 0 309.413 3.145 10 0 DGAERO COc1cccc(CC[NH2+]Cc2ncc(C(C)(C)C)s2)n1 ZINC000447894796 433315923 /nfs/dbraw/zinc/31/59/23/433315923.db2.gz VTJMFPLQGVXPFP-UHFFFAOYSA-N 1 0 305.447 3.177 10 0 DGAERO CC(=O)c1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1 ZINC000351049169 433352677 /nfs/dbraw/zinc/35/26/77/433352677.db2.gz ORDNZCQTIODKSZ-UHFFFAOYSA-N 1 0 304.309 3.254 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000158293786 292766135 /nfs/dbraw/zinc/76/61/35/292766135.db2.gz RUJFAPKMAOWZKD-MRXNPFEDSA-N 1 0 308.441 3.196 10 0 DGAERO C[C@@H]1CCOCCN1Cc1csc(Cc2ccccc2)n1 ZINC000374992180 433327763 /nfs/dbraw/zinc/32/77/63/433327763.db2.gz WAWHVEOIFRUFJB-CQSZACIVSA-N 1 0 302.443 3.345 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000291911280 433389303 /nfs/dbraw/zinc/38/93/03/433389303.db2.gz KBQNOBSXZCEHSO-UYAOXDASSA-N 1 0 318.424 3.047 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000361798793 433395935 /nfs/dbraw/zinc/39/59/35/433395935.db2.gz NGRLPAOPZAAFHU-INIZCTEOSA-N 1 0 314.433 3.345 10 0 DGAERO c1nc([C@H]2CCC[N@@H+](CCc3cccnc3)C2)n2c1CCCC2 ZINC000281880765 433412871 /nfs/dbraw/zinc/41/28/71/433412871.db2.gz AHFZDKHFFWPWCR-KRWDZBQOSA-N 1 0 310.445 3.037 10 0 DGAERO c1coc(-c2ncc(C[N@@H+]3CC[C@]4(C3)CCCOC4)s2)c1 ZINC000375301063 433417158 /nfs/dbraw/zinc/41/71/58/433417158.db2.gz DUDHDVOXKYQVIS-INIZCTEOSA-N 1 0 304.415 3.406 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](CCc3ccncc3)C2)n2c1CCCC2 ZINC000281883269 433419437 /nfs/dbraw/zinc/41/94/37/433419437.db2.gz ALZLCFAPBSDKHQ-QGZVFWFLSA-N 1 0 310.445 3.037 10 0 DGAERO c1ccc(OCC2CC2)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000355099545 433459926 /nfs/dbraw/zinc/45/99/26/433459926.db2.gz FORLJMICWXVJKG-SJLPKXTDSA-N 1 0 319.470 3.182 10 0 DGAERO CCc1ccc(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1F ZINC000159128694 292785023 /nfs/dbraw/zinc/78/50/23/292785023.db2.gz ASGCXHXGUHELME-HNNXBMFYSA-N 1 0 307.413 3.336 10 0 DGAERO c1coc(-c2nc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)cs2)c1 ZINC000355111124 433467156 /nfs/dbraw/zinc/46/71/56/433467156.db2.gz LYAQUZQCMXZJAP-TZMCWYRMSA-N 1 0 304.415 3.404 10 0 DGAERO c1ccc(OCCC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375436168 433464203 /nfs/dbraw/zinc/46/42/03/433464203.db2.gz HTFOGKISMNJNFB-HNNXBMFYSA-N 1 0 313.401 3.205 10 0 DGAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCCC2(C)C)[C@H]1c1ccccc1 ZINC000179472128 290135310 /nfs/dbraw/zinc/13/53/10/290135310.db2.gz PHBGFDJEKZYQCP-HZPDHXFCSA-N 1 0 301.434 3.016 10 0 DGAERO Brc1cccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000355114476 433473332 /nfs/dbraw/zinc/47/33/32/433473332.db2.gz PERKYAGUEQVGKI-UKRRQHHQSA-N 1 0 310.235 3.450 10 0 DGAERO C[N@H+]1C[C@H]2CN(C(=O)C3=C(c4ccccc4)CCCC3)C[C@H]2C1 ZINC000451455143 290282505 /nfs/dbraw/zinc/28/25/05/290282505.db2.gz CJGBJSBZOUZMOV-CALCHBBNSA-N 1 0 310.441 3.034 10 0 DGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000342120980 433478862 /nfs/dbraw/zinc/47/88/62/433478862.db2.gz AXZYOYVVPDROKL-KGTBHZDVSA-N 1 0 314.351 3.175 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(C)C)c(OC)c1 ZINC000361992527 433483238 /nfs/dbraw/zinc/48/32/38/433483238.db2.gz IHACVXPWHDVCSP-HNNXBMFYSA-N 1 0 320.433 3.295 10 0 DGAERO Brc1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000301367692 433524832 /nfs/dbraw/zinc/52/48/32/433524832.db2.gz OMZNBWYCZLGCGX-CQSZACIVSA-N 1 0 324.266 3.299 10 0 DGAERO C(Cc1nnc2n1CCCCC2)[NH2+]C1CC2(C1)CCCCC2 ZINC000421336494 433486375 /nfs/dbraw/zinc/48/63/75/433486375.db2.gz WVEBRUCHHRJDLR-UHFFFAOYSA-N 1 0 302.466 3.250 10 0 DGAERO c1ccc(C[N@H+]2CCC[C@@H]2CNc2ccnc(C3CC3)n2)cc1 ZINC000301294451 433494842 /nfs/dbraw/zinc/49/48/42/433494842.db2.gz OPJQWAXZCJZDIG-QGZVFWFLSA-N 1 0 308.429 3.431 10 0 DGAERO CC(C)[C@@H]1C[C@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000456294871 433576709 /nfs/dbraw/zinc/57/67/09/433576709.db2.gz IFVSERHBIPPHPH-ROUUACIJSA-N 1 0 300.446 3.304 10 0 DGAERO CCCOc1ccc2c(c1)CCN(C(=O)[C@@H](CCC)[NH+](C)C)C2 ZINC000161763222 292841447 /nfs/dbraw/zinc/84/14/47/292841447.db2.gz HNUSZLACYDRRTC-GOSISDBHSA-N 1 0 318.461 3.090 10 0 DGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000456379744 433633604 /nfs/dbraw/zinc/63/36/04/433633604.db2.gz NEQVQHHWWYEVTJ-IJEWVQPXSA-N 1 0 322.399 3.011 10 0 DGAERO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccnc(C2CC2)n1 ZINC000162011283 292846121 /nfs/dbraw/zinc/84/61/21/292846121.db2.gz GLNDOIYXNSUIEG-UHFFFAOYSA-N 1 0 314.408 3.061 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](OC)c1cccc(Cl)c1 ZINC000362261700 433609219 /nfs/dbraw/zinc/60/92/19/433609219.db2.gz HUIZXDXMMOYITA-HZPDHXFCSA-N 1 0 324.852 3.018 10 0 DGAERO COC1(C[NH2+]Cc2ccn(Cc3ccccc3)n2)CCCCC1 ZINC000319613726 292895901 /nfs/dbraw/zinc/89/59/01/292895901.db2.gz KUJSKGWTOHMXSB-UHFFFAOYSA-N 1 0 313.445 3.370 10 0 DGAERO C[C@H](F)CC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000339483607 433613554 /nfs/dbraw/zinc/61/35/54/433613554.db2.gz BNGFYYGOCHUIPR-VIFPVBQESA-N 1 0 302.187 3.222 10 0 DGAERO C([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1noc2c1CCCC2 ZINC000342316182 433613541 /nfs/dbraw/zinc/61/35/41/433613541.db2.gz PVLKSOIFMPMYHZ-RRFJBIMHSA-N 1 0 304.434 3.238 10 0 DGAERO Cc1cc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000376068052 433656939 /nfs/dbraw/zinc/65/69/39/433656939.db2.gz OEGRVAJTFVUQLM-WMZOPIPTSA-N 1 0 313.445 3.026 10 0 DGAERO c1c2cccnc2oc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000449009247 433661173 /nfs/dbraw/zinc/66/11/73/433661173.db2.gz NHRPIAJPSZFSML-UHFFFAOYSA-N 1 0 321.424 3.188 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000367358741 293060404 /nfs/dbraw/zinc/06/04/04/293060404.db2.gz OHQVGDXTIZWATK-SFHVURJKSA-N 1 0 310.445 3.137 10 0 DGAERO Clc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1Cl ZINC000367423650 293070358 /nfs/dbraw/zinc/07/03/58/293070358.db2.gz WACDAACCWKUOJZ-SWLSCSKDSA-N 1 0 316.228 3.421 10 0 DGAERO OC[C@H]1C[N@H+](Cc2nc3ccccc3o2)CC[C@H]1c1ccccc1 ZINC000367530981 293085048 /nfs/dbraw/zinc/08/50/48/293085048.db2.gz KRNPBQBVCRUZES-SJORKVTESA-N 1 0 322.408 3.426 10 0 DGAERO c1nc(C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)c[nH]1 ZINC000368489731 293126827 /nfs/dbraw/zinc/12/68/27/293126827.db2.gz FQIGXIUXYNZIPW-UHFFFAOYSA-N 1 0 308.385 3.444 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1C[C@@H]3CCCC[C@@H]3C1)CC2 ZINC000370158790 293159583 /nfs/dbraw/zinc/15/95/83/293159583.db2.gz DYSZABIBUGJCOS-SOUVJXGZSA-N 1 0 315.461 3.287 10 0 DGAERO CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000456523624 433708359 /nfs/dbraw/zinc/70/83/59/433708359.db2.gz FKULOFFFXUKLBU-BJJXKVORSA-N 1 0 322.399 3.011 10 0 DGAERO Cc1nccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000373605791 293296414 /nfs/dbraw/zinc/29/64/14/293296414.db2.gz AJDVRZNBPLFGHJ-ZWKOTPCHSA-N 1 0 315.392 3.012 10 0 DGAERO c1[nH]c2ccccc2c1C[C@@H]1COCCN1Cc1ccccn1 ZINC000374142964 293357632 /nfs/dbraw/zinc/35/76/32/293357632.db2.gz LGTOLGWHOMIVFG-QGZVFWFLSA-N 1 0 307.397 3.006 10 0 DGAERO Brc1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cs1 ZINC000374387207 293393625 /nfs/dbraw/zinc/39/36/25/293393625.db2.gz AWZWZDWHMPXJPN-NEPJUHHUSA-N 1 0 316.264 3.369 10 0 DGAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449063692 433720788 /nfs/dbraw/zinc/72/07/88/433720788.db2.gz QSQYUSFALDASQD-OAHLLOKOSA-N 1 0 317.454 3.201 10 0 DGAERO CS(=O)(=O)c1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000449067429 433725815 /nfs/dbraw/zinc/72/58/15/433725815.db2.gz LITJDKCBRNWURJ-UHFFFAOYSA-N 1 0 319.470 3.004 10 0 DGAERO C[C@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1cccc(O)c1 ZINC000283510474 433736075 /nfs/dbraw/zinc/73/60/75/433736075.db2.gz ZKMLZLJYTSWRPI-STQMWFEESA-N 1 0 308.422 3.298 10 0 DGAERO CCc1nc2sccc2c(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000301857693 433762412 /nfs/dbraw/zinc/76/24/12/433762412.db2.gz ZUPSYYWACPQRSE-DGCLKSJQSA-N 1 0 304.463 3.394 10 0 DGAERO c1ccc(COCCC[N@@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000339777687 433774166 /nfs/dbraw/zinc/77/41/66/433774166.db2.gz PNNQJZNRVDDLAU-LJQANCHMSA-N 1 0 303.446 3.484 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)[C@H]1CCC[C@@H](C)C1 ZINC000449765376 433777446 /nfs/dbraw/zinc/77/74/46/433777446.db2.gz HZZXBRDPGFSQAS-YCPHGPKFSA-N 1 0 309.475 3.395 10 0 DGAERO c1nn2ccccc2c1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000356944693 433779956 /nfs/dbraw/zinc/77/99/56/433779956.db2.gz GRYYRKVKTFDDDP-INIZCTEOSA-N 1 0 307.397 3.235 10 0 DGAERO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc2c1OCCC2 ZINC000375483311 293533292 /nfs/dbraw/zinc/53/32/92/293533292.db2.gz LHMBBGYDDGTCNZ-UHFFFAOYSA-N 1 0 319.449 3.207 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(c3ccnc4c(F)cc(F)cc34)CC[C@H]21 ZINC000302404425 433821652 /nfs/dbraw/zinc/82/16/52/433821652.db2.gz GHURGFSAPCLLPR-BLLLJJGKSA-N 1 0 317.383 3.434 10 0 DGAERO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC12CCC2 ZINC000435576769 433876166 /nfs/dbraw/zinc/87/61/66/433876166.db2.gz BYNLORBGPCMYDG-KRWDZBQOSA-N 1 0 313.445 3.162 10 0 DGAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000377396991 433870927 /nfs/dbraw/zinc/87/09/27/433870927.db2.gz FDKGXDNPFQMHGU-HWOWSKLDSA-N 1 0 309.457 3.242 10 0 DGAERO CSc1ccc(C[NH2+][C@@H]2CCCO[C@H]2c2nccn2C)s1 ZINC000340040573 433895044 /nfs/dbraw/zinc/89/50/44/433895044.db2.gz JTXKAQQFBBKFKG-TZMCWYRMSA-N 1 0 323.487 3.213 10 0 DGAERO c1oc(-c2ccccc2)nc1CNCCC[NH2+]Cc1cccnc1 ZINC000414890081 433904378 /nfs/dbraw/zinc/90/43/78/433904378.db2.gz ZDFGYSZSYUJFSE-UHFFFAOYSA-N 1 0 322.412 3.006 10 0 DGAERO Cc1c[nH]cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000357217849 433911472 /nfs/dbraw/zinc/91/14/72/433911472.db2.gz GYHAOYXLABTOEH-BBRMVZONSA-N 1 0 317.458 3.198 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000362927512 433913340 /nfs/dbraw/zinc/91/33/40/433913340.db2.gz IKIOYCYSCWJNPO-AWEZNQCLSA-N 1 0 311.376 3.448 10 0 DGAERO O[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)C(F)F ZINC000436303052 433933848 /nfs/dbraw/zinc/93/38/48/433933848.db2.gz BIENEPNRHQTRNH-HZPDHXFCSA-N 1 0 309.331 3.325 10 0 DGAERO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000457053958 433953848 /nfs/dbraw/zinc/95/38/48/433953848.db2.gz KOUSGQUEGBWNJY-ZFWWWQNUSA-N 1 0 322.399 3.059 10 0 DGAERO c1cn(C2CCCC2)nc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000357331572 433955818 /nfs/dbraw/zinc/95/58/18/433955818.db2.gz UTECQPRXRBZTMY-GOSISDBHSA-N 1 0 303.450 3.391 10 0 DGAERO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1ccc(Cl)c(F)c1 ZINC000457061003 433958938 /nfs/dbraw/zinc/95/89/38/433958938.db2.gz YTOZIVUYJLNEBO-UHFFFAOYSA-N 1 0 312.816 3.012 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000340210896 433982965 /nfs/dbraw/zinc/98/29/65/433982965.db2.gz XFMMQNYKPWAYOR-MSOLQXFVSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H](COCc1ccccc1)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000390795127 293825592 /nfs/dbraw/zinc/82/55/92/293825592.db2.gz ZMXMMSYLBZNEMD-MAUKXSAKSA-N 1 0 318.461 3.006 10 0 DGAERO CCOCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400448144 293864122 /nfs/dbraw/zinc/86/41/22/293864122.db2.gz OAJPCWSYTHMAKD-CABCVRRESA-N 1 0 314.470 3.038 10 0 DGAERO CC(C)SCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400758079 293866279 /nfs/dbraw/zinc/86/62/79/293866279.db2.gz XMFQMOXSTXTFRL-UONOGXRCSA-N 1 0 316.511 3.363 10 0 DGAERO c1ccc2nc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)ccc2c1 ZINC000363548955 434083035 /nfs/dbraw/zinc/08/30/35/434083035.db2.gz KTHZQXRSTOHXPT-MRXNPFEDSA-N 1 0 304.397 3.404 10 0 DGAERO Cc1cccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309728723 434097558 /nfs/dbraw/zinc/09/75/58/434097558.db2.gz QUYAVQHXEYLCSU-IEBWSBKVSA-N 1 0 309.457 3.390 10 0 DGAERO CC(C)C[N@H+](C[C@H](O)COCc1ccccc1)C1CCCC1 ZINC000309854735 434104485 /nfs/dbraw/zinc/10/44/85/434104485.db2.gz ZWHXFSKYUWTIGG-IBGZPJMESA-N 1 0 305.462 3.465 10 0 DGAERO C[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CCC[C@H](O)C1 ZINC000310817338 434113254 /nfs/dbraw/zinc/11/32/54/434113254.db2.gz BBLZYFQAXZINSD-ZFWWWQNUSA-N 1 0 312.251 3.432 10 0 DGAERO Clc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(Cl)s1 ZINC000312753918 434119991 /nfs/dbraw/zinc/11/99/91/434119991.db2.gz AEGASOOJJWMIEH-MFKMUULPSA-N 1 0 322.257 3.483 10 0 DGAERO C[C@@H]1CN(Cc2c(F)cccc2Br)[C@@H](C)C[N@@H+]1C ZINC000357614992 434101351 /nfs/dbraw/zinc/10/13/51/434101351.db2.gz NGXQUWRPCJTPNT-MNOVXSKESA-N 1 0 315.230 3.113 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000499866153 294097803 /nfs/dbraw/zinc/09/78/03/294097803.db2.gz XOZGLMJBFAPOMD-ICSRJNTNSA-N 1 0 314.473 3.441 10 0 DGAERO Cn1cnc(CC[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000313264060 434125722 /nfs/dbraw/zinc/12/57/22/434125722.db2.gz MRWQIAQMWQQOIL-OAHLLOKOSA-N 1 0 320.234 3.002 10 0 DGAERO C[C@@H]1CN([C@@H](C[NH2+]C[C@@H]2CC=CCC2)c2cccs2)CCO1 ZINC000246738485 297069835 /nfs/dbraw/zinc/06/98/35/297069835.db2.gz PGQATHMXJLUYNT-ZACQAIPSSA-N 1 0 320.502 3.456 10 0 DGAERO C[C@@H]([NH2+]CCc1ccccc1Br)[C@H]1CCCOC1 ZINC000507505043 294301633 /nfs/dbraw/zinc/30/16/33/294301633.db2.gz DJSNOSSCDZNBJG-OCCSQVGLSA-N 1 0 312.251 3.396 10 0 DGAERO COc1cccc([C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)N(C)C)c1 ZINC000510730516 294390530 /nfs/dbraw/zinc/39/05/30/294390530.db2.gz CPCLBTFPGGGBGE-OTWHNJEPSA-N 1 0 302.462 3.466 10 0 DGAERO COc1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)c(OC)c1OC ZINC000510737173 294391422 /nfs/dbraw/zinc/39/14/22/294391422.db2.gz SIIAIEWMFXSGOB-JKSUJKDBSA-N 1 0 319.445 3.423 10 0 DGAERO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](CO)CC1CCCC1 ZINC000510995348 294398442 /nfs/dbraw/zinc/39/84/42/294398442.db2.gz REDBULDLSNPGKF-RDJZCZTQSA-N 1 0 318.461 3.243 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4ccccc4OC3)C2)cc1 ZINC000511053126 294400539 /nfs/dbraw/zinc/40/05/39/294400539.db2.gz WTFFSWMKHZVQQP-PMACEKPBSA-N 1 0 322.452 3.244 10 0 DGAERO c1ccc2c(c1)OC[C@@H](C[NH2+][C@@H]1CCCOc3ccccc31)O2 ZINC000346133787 434138695 /nfs/dbraw/zinc/13/86/95/434138695.db2.gz PSMAFNIEFAJYBR-GDBMZVCRSA-N 1 0 311.381 3.330 10 0 DGAERO c1coc(-c2nc(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013954 434152505 /nfs/dbraw/zinc/15/25/05/434152505.db2.gz GCOUNPUQZPKSLR-ZFWWWQNUSA-N 1 0 317.458 3.367 10 0 DGAERO Fc1ccc(/C=C/C[NH2+]CCc2cn3ccccc3n2)cc1F ZINC000512133029 294431518 /nfs/dbraw/zinc/43/15/18/294431518.db2.gz XGGLHRLQFMANNM-ONEGZZNKSA-N 1 0 313.351 3.458 10 0 DGAERO c1nc([C@@H](NC[C@@H]2C[C@@H]2c2ccccc2)c2ccccc2)n[nH]1 ZINC000340487701 434158903 /nfs/dbraw/zinc/15/89/03/434158903.db2.gz JCXAOYIBYHDRCE-KSZLIROESA-N 1 0 304.397 3.287 10 0 DGAERO c1cc(Sc2ccccn2)oc1CN1CC[NH+]2CCC1CC2 ZINC000353506766 434183780 /nfs/dbraw/zinc/18/37/80/434183780.db2.gz ZKQGCKSQTIIAOI-UHFFFAOYSA-N 1 0 315.442 3.106 10 0 DGAERO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000357793587 434187202 /nfs/dbraw/zinc/18/72/02/434187202.db2.gz LQXHVIMIHHZPSK-MRXNPFEDSA-N 1 0 306.413 3.486 10 0 DGAERO c1nn2ccccc2c1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000363955169 434190872 /nfs/dbraw/zinc/19/08/72/434190872.db2.gz ZIWCOYNTRYSNRZ-HXUWFJFHSA-N 1 0 319.408 3.356 10 0 DGAERO O=C(/C=C/c1cc(Cl)ccc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000364003455 434205925 /nfs/dbraw/zinc/20/59/25/434205925.db2.gz YWMCPOPLZTUUGM-YIALFULDSA-N 1 0 313.228 3.265 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)c2)cn1 ZINC000346215466 434207674 /nfs/dbraw/zinc/20/76/74/434207674.db2.gz KFTKBUBRDBNMLQ-QGZVFWFLSA-N 1 0 317.458 3.326 10 0 DGAERO c1nc(CC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cs1 ZINC000295126451 434219918 /nfs/dbraw/zinc/21/99/18/434219918.db2.gz BSCSTDKSMDOUSB-CQSZACIVSA-N 1 0 316.474 3.098 10 0 DGAERO C[NH2+]Cc1cccc(NC(=O)c2coc(Br)c2)c1 ZINC000378894646 434255630 /nfs/dbraw/zinc/25/56/30/434255630.db2.gz BSVLJOKIHBWABK-UHFFFAOYSA-N 1 0 309.163 3.014 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000324445263 434276313 /nfs/dbraw/zinc/27/63/13/434276313.db2.gz UJURTJCZWNOXFK-MWLCHTKSSA-N 1 0 318.280 3.495 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000437411569 434258275 /nfs/dbraw/zinc/25/82/75/434258275.db2.gz WHVMQXHYYPZKMM-ZQIUZPCESA-N 1 0 304.409 3.062 10 0 DGAERO Cc1ccccc1C1CC([N@H+](CC(=O)N2CCCC2)C2CC2)C1 ZINC000357953055 434262893 /nfs/dbraw/zinc/26/28/93/434262893.db2.gz SVABSHCKNNKZFJ-UHFFFAOYSA-N 1 0 312.457 3.328 10 0 DGAERO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000380828372 434268046 /nfs/dbraw/zinc/26/80/46/434268046.db2.gz IOSNDZDCHZKCJO-WCQYABFASA-N 1 0 317.260 3.365 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1N)[C@H]1C[NH+]2CCC1CC2 ZINC000381357281 434271855 /nfs/dbraw/zinc/27/18/55/434271855.db2.gz GAIDAYWQCIMPLA-AWEZNQCLSA-N 1 0 314.260 3.102 10 0 DGAERO CCC(C)(C)OCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000457534700 434226339 /nfs/dbraw/zinc/22/63/39/434226339.db2.gz TWWJCKBYSYCFOT-QGZVFWFLSA-N 1 0 324.509 3.306 10 0 DGAERO CO[C@H]([C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1)C1CC1 ZINC000388233838 434333310 /nfs/dbraw/zinc/33/33/10/434333310.db2.gz NOUHAQQICNRABV-YMTOWFKASA-N 1 0 316.214 3.491 10 0 DGAERO C[N@@H+](Cc1csc(Br)c1)C[C@H]1CCC[C@H](O)C1 ZINC000383731672 434288161 /nfs/dbraw/zinc/28/81/61/434288161.db2.gz WWPACUCJFCKEQW-JQWIXIFHSA-N 1 0 318.280 3.494 10 0 DGAERO c1ccc(OC2CC2)c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000450605288 434288917 /nfs/dbraw/zinc/28/89/17/434288917.db2.gz ZDHIINHAFAYCRC-WBVHZDCISA-N 1 0 301.430 3.476 10 0 DGAERO CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C)O[C@@H](C)C2 ZINC000384543445 434294768 /nfs/dbraw/zinc/29/47/68/434294768.db2.gz FGVVCLIVJYGYLE-WFGGJUAMSA-N 1 0 305.418 3.064 10 0 DGAERO CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C)O[C@H](C)C2 ZINC000384543440 434295944 /nfs/dbraw/zinc/29/59/44/434295944.db2.gz FGVVCLIVJYGYLE-LMOYCYGVSA-N 1 0 305.418 3.064 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H](C)O1 ZINC000384587915 434295978 /nfs/dbraw/zinc/29/59/78/434295978.db2.gz LXXNFPRQBLDCGI-JRKPZEMJSA-N 1 0 302.187 3.244 10 0 DGAERO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000386196333 434308936 /nfs/dbraw/zinc/30/89/36/434308936.db2.gz BLQQAWNCLDBQQN-WCQYABFASA-N 1 0 306.793 3.198 10 0 DGAERO c1csc(-c2nc(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752940 434312990 /nfs/dbraw/zinc/31/29/90/434312990.db2.gz CLJINYZNRNGBNE-ZFWWWQNUSA-N 1 0 317.458 3.367 10 0 DGAERO COC[C@H](C)C[N@H+](C)Cc1cc(OC)ccc1Br ZINC000386515761 434314009 /nfs/dbraw/zinc/31/40/09/434314009.db2.gz MWLNMBHJVCJCTL-LLVKDONJSA-N 1 0 316.239 3.172 10 0 DGAERO Nc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000388311613 434331750 /nfs/dbraw/zinc/33/17/50/434331750.db2.gz GNWLNHDFHWRBEI-GFCCVEGCSA-N 1 0 303.233 3.313 10 0 DGAERO CC1(C)C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCN1Cc1ccccc1 ZINC000382640752 434277907 /nfs/dbraw/zinc/27/79/07/434277907.db2.gz DDLAEURDTOXDHD-RBUKOAKNSA-N 1 0 316.489 3.134 10 0 DGAERO CCc1ccc(-c2noc([C@H](C)[NH2+]CCC[C@H](C)O)n2)cc1 ZINC000450738296 434379148 /nfs/dbraw/zinc/37/91/48/434379148.db2.gz NYZFGCHNOWSKRI-STQMWFEESA-N 1 0 303.406 3.111 10 0 DGAERO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000437982909 434380929 /nfs/dbraw/zinc/38/09/29/434380929.db2.gz DATYLBSDHHJRGR-JTDSTZFVSA-N 1 0 319.445 3.005 10 0 DGAERO Cc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3C[C@@H](C)O)n2)cc1 ZINC000392065396 434383777 /nfs/dbraw/zinc/38/37/77/434383777.db2.gz WAGGBBWEJKTGAK-GDBMZVCRSA-N 1 0 315.417 3.170 10 0 DGAERO O[C@@H]1CCC[C@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000388520969 434334753 /nfs/dbraw/zinc/33/47/53/434334753.db2.gz XHFWKFYEQPEOQA-GXSJLCMTSA-N 1 0 304.253 3.151 10 0 DGAERO Brc1sccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000388816068 434335373 /nfs/dbraw/zinc/33/53/73/434335373.db2.gz GSSOLKLMICRCJM-SNVBAGLBSA-N 1 0 315.280 3.085 10 0 DGAERO c1ccc(OCCCC[NH2+][C@H]2CCN(c3ccccn3)C2)cc1 ZINC000437799495 434339323 /nfs/dbraw/zinc/33/93/23/434339323.db2.gz MEFSLXHOSXHPMO-KRWDZBQOSA-N 1 0 311.429 3.109 10 0 DGAERO C[C@H](CNCc1ccsc1Br)[N@H+](C)C1CC1 ZINC000388882952 434341913 /nfs/dbraw/zinc/34/19/13/434341913.db2.gz JKZSEKUPDCRFLY-SECBINFHSA-N 1 0 303.269 3.083 10 0 DGAERO Fc1ccc2[nH]c3c(c2c1)CN(CC[NH+]1CCCCC1)CC3 ZINC000172655308 294749819 /nfs/dbraw/zinc/74/98/19/294749819.db2.gz PIJGHNRJKFHNED-UHFFFAOYSA-N 1 0 301.409 3.151 10 0 DGAERO CC1=CCN(CC[NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000358161229 434358989 /nfs/dbraw/zinc/35/89/89/434358989.db2.gz FAAUZSBEYCCPNJ-UHFFFAOYSA-N 1 0 306.837 3.017 10 0 DGAERO C(=C/[C@@H]1CCCCC[N@H+]1C[C@@H]1COCCO1)\c1cccs1 ZINC000450718357 434360962 /nfs/dbraw/zinc/36/09/62/434360962.db2.gz TVZHPQXQWAKJAQ-APPUJDCNSA-N 1 0 307.459 3.421 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]CC1=CCOCC1)CC2 ZINC000397904995 434444277 /nfs/dbraw/zinc/44/42/77/434444277.db2.gz ZHGYUFAXOBXTQO-OAHLLOKOSA-N 1 0 308.219 3.373 10 0 DGAERO C[C@H]([NH2+]Cc1cccc(Br)c1F)[C@H]1CCCO1 ZINC000394907787 434407528 /nfs/dbraw/zinc/40/75/28/434407528.db2.gz LAPLEIYEHZATFY-JOYOIKCWSA-N 1 0 302.187 3.245 10 0 DGAERO CC(=O)N1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)[C@@H](C)C1 ZINC000438102840 434408469 /nfs/dbraw/zinc/40/84/69/434408469.db2.gz WXMOIAUIYFPNSG-IPELMVKDSA-N 1 0 300.446 3.049 10 0 DGAERO CC1(C)C[C@@H](O)CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000395347773 434413100 /nfs/dbraw/zinc/41/31/00/434413100.db2.gz HMOJHJANKUFIKV-AWEZNQCLSA-N 1 0 312.251 3.432 10 0 DGAERO Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1F ZINC000329635000 434448145 /nfs/dbraw/zinc/44/81/45/434448145.db2.gz XTDXERXAFFHYCL-CXAGYDPISA-N 1 0 317.364 3.110 10 0 DGAERO c1c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)nnn1CC1CC1 ZINC000450818614 434425807 /nfs/dbraw/zinc/42/58/07/434425807.db2.gz IKRMBHRRJKBDMA-PKOBYXMFSA-N 1 0 310.445 3.189 10 0 DGAERO Cc1nc2ccccn2c1C[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000359820205 434432924 /nfs/dbraw/zinc/43/29/24/434432924.db2.gz SKPLAPLBNYIFBL-SFHVURJKSA-N 1 0 301.434 3.064 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000397629185 434440237 /nfs/dbraw/zinc/44/02/37/434440237.db2.gz NPIXZLVSGUQNKY-UHOSZYNNSA-N 1 0 316.489 3.302 10 0 DGAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Br)c3)C[C@H]2C1 ZINC000398753761 434465032 /nfs/dbraw/zinc/46/50/32/434465032.db2.gz XHLXJVCSXDXNKV-GZBFAFLISA-N 1 0 310.235 3.042 10 0 DGAERO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000450908450 434477921 /nfs/dbraw/zinc/47/79/21/434477921.db2.gz RTOFGZURHKIFAH-MNEFBYGVSA-N 1 0 313.445 3.112 10 0 DGAERO CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cccs1 ZINC000360026578 434481908 /nfs/dbraw/zinc/48/19/08/434481908.db2.gz ZUJLUKMBABXUQK-HNNXBMFYSA-N 1 0 317.458 3.221 10 0 DGAERO Cc1cncc(CC[NH2+][C@H](C)c2cccc(Br)c2)n1 ZINC000402808818 434505389 /nfs/dbraw/zinc/50/53/89/434505389.db2.gz ZWUZUNNRTLQOGY-GFCCVEGCSA-N 1 0 320.234 3.441 10 0 DGAERO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCn3ncnc32)C1 ZINC000329851494 434491899 /nfs/dbraw/zinc/49/18/99/434491899.db2.gz TUPDYOYDLMLGOA-OAGGEKHMSA-N 1 0 311.433 3.132 10 0 DGAERO CC(C)(C)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398058781 434449390 /nfs/dbraw/zinc/44/93/90/434449390.db2.gz JDDANFHHUVXXLF-GOSISDBHSA-N 1 0 303.450 3.139 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CS1 ZINC000398092751 434454690 /nfs/dbraw/zinc/45/46/90/434454690.db2.gz JTNJTNGLYSHEFD-LMSBXDPUSA-N 1 0 304.503 3.381 10 0 DGAERO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Cl)ccc1Cl ZINC000404193652 434508116 /nfs/dbraw/zinc/50/81/16/434508116.db2.gz LIDWTRINKGJKNI-HZMBPMFUSA-N 1 0 304.217 3.186 10 0 DGAERO Brc1cc(C[N@@H+]2CCOCC3(CC3)C2)cs1 ZINC000360088183 434512209 /nfs/dbraw/zinc/51/22/09/434512209.db2.gz KDVCFQWOVSZYSK-UHFFFAOYSA-N 1 0 302.237 3.123 10 0 DGAERO [NH3+]CC1(CCNC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000404837975 434522797 /nfs/dbraw/zinc/52/27/97/434522797.db2.gz LJKIELDZMOMXHA-UHFFFAOYSA-N 1 0 302.205 3.244 10 0 DGAERO c1c([C@H]2CCC[NH2+]C2)nnn1Cc1ccc(-c2ccccc2)cc1 ZINC000404895437 434524547 /nfs/dbraw/zinc/52/45/47/434524547.db2.gz YMGMPOHCDYGBTM-IBGZPJMESA-N 1 0 318.424 3.460 10 0 DGAERO COC[C@H](C)[C@H](C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000360134495 434528318 /nfs/dbraw/zinc/52/83/18/434528318.db2.gz GOLWIBHSWJWSCE-OKZBNKHCSA-N 1 0 324.509 3.020 10 0 DGAERO Cc1ccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1Br ZINC000407252999 434530205 /nfs/dbraw/zinc/53/02/05/434530205.db2.gz GJECDHMBFPNZQN-UONOGXRCSA-N 1 0 323.234 3.227 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000408186010 434550306 /nfs/dbraw/zinc/55/03/06/434550306.db2.gz OUABDQKNQGDZJI-WMLDXEAASA-N 1 0 324.428 3.382 10 0 DGAERO COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c(OC)c1 ZINC000449469308 295006591 /nfs/dbraw/zinc/00/65/91/295006591.db2.gz SQRNTNKSKXTCKJ-XEZPLFJOSA-N 1 0 307.434 3.422 10 0 DGAERO Cc1cc(-c2nnc(C[N@H+]3CCSC[C@@H](C)C3)o2)c(C)o1 ZINC000408358468 434566505 /nfs/dbraw/zinc/56/65/05/434566505.db2.gz GLEIPNKJPIXFRA-JTQLQIEISA-N 1 0 307.419 3.131 10 0 DGAERO CC[C@H](Cc1ccccc1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000525677638 295025257 /nfs/dbraw/zinc/02/52/57/295025257.db2.gz HGIUMCYUFGXXAP-LJQANCHMSA-N 1 0 316.489 3.494 10 0 DGAERO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC000525737327 295029578 /nfs/dbraw/zinc/02/95/78/295029578.db2.gz QZLIKWKXMFYNIB-LZWOXQAQSA-N 1 0 304.434 3.093 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@@H]1CCCCS1)CC2 ZINC000526014264 295050978 /nfs/dbraw/zinc/05/09/78/295050978.db2.gz OTHALTIVTXKYNZ-OLZOCXBDSA-N 1 0 321.490 3.040 10 0 DGAERO c1ccc([C@H]2CC[C@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)cc1 ZINC000527109776 295078742 /nfs/dbraw/zinc/07/87/42/295078742.db2.gz MSQBQFRKZNBIDT-IRXDYDNUSA-N 1 0 319.412 3.088 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)COc1ccccc1 ZINC000527348656 295093294 /nfs/dbraw/zinc/09/32/94/295093294.db2.gz OTVMDPMRCFPJEY-IPMKNSEASA-N 1 0 311.425 3.352 10 0 DGAERO COc1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)cn1 ZINC000527636246 295107599 /nfs/dbraw/zinc/10/75/99/295107599.db2.gz XURYHUYLEGQVBP-UHFFFAOYSA-N 1 0 302.321 3.460 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNCc2ccsc2Br)C1 ZINC000527646790 295109344 /nfs/dbraw/zinc/10/93/44/295109344.db2.gz YSMYPEXBNPXZFF-LLVKDONJSA-N 1 0 317.296 3.332 10 0 DGAERO Fc1c(Br)ccc(C[NH2+][C@@H]2CCCOCC2)c1F ZINC000527685147 295115137 /nfs/dbraw/zinc/11/51/37/295115137.db2.gz RSTSIOXNNSEHBP-SNVBAGLBSA-N 1 0 320.177 3.386 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527711210 295118622 /nfs/dbraw/zinc/11/86/22/295118622.db2.gz CEMCKLKNPBNGSI-SNVBAGLBSA-N 1 0 320.177 3.384 10 0 DGAERO CCn1nncc1CN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000459373882 434573271 /nfs/dbraw/zinc/57/32/71/434573271.db2.gz KPKLHWKUCYDEJC-LBPRGKRZSA-N 1 0 307.467 3.379 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)[C@H](C)O1 ZINC000527790769 295130832 /nfs/dbraw/zinc/13/08/32/295130832.db2.gz KNRPHROGOUPYDT-FYBVGQRMSA-N 1 0 320.177 3.383 10 0 DGAERO c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN2C2CCCC2)cs1 ZINC000527808752 295134549 /nfs/dbraw/zinc/13/45/49/295134549.db2.gz KZYMVEIHWKAMNN-MRXNPFEDSA-N 1 0 316.474 3.245 10 0 DGAERO C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CCN1C1CCCC1 ZINC000528002801 295164451 /nfs/dbraw/zinc/16/44/51/295164451.db2.gz QXVCNDNPMIJRKR-QXCFHYIPSA-N 1 0 306.494 3.188 10 0 DGAERO c1c[nH]c([C@@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)c2ccccc2)n1 ZINC000528004167 295164616 /nfs/dbraw/zinc/16/46/16/295164616.db2.gz VRUCQPFFJAMVGA-ROUUACIJSA-N 1 0 310.445 3.106 10 0 DGAERO c1c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)[nH]nc1-c1ccccc1 ZINC000354019323 434580914 /nfs/dbraw/zinc/58/09/14/434580914.db2.gz WZSCLZGJUQQTJA-QGZVFWFLSA-N 1 0 311.429 3.325 10 0 DGAERO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000528479262 295217871 /nfs/dbraw/zinc/21/78/71/295217871.db2.gz WFPXTTSUYVBIQY-JTQLQIEISA-N 1 0 322.193 3.224 10 0 DGAERO CC[C@@H](C)[N@H+](CCO)Cc1ccc(Br)c(F)c1F ZINC000528501477 295219917 /nfs/dbraw/zinc/21/99/17/295219917.db2.gz GKCJOFFQMPMVML-SECBINFHSA-N 1 0 322.193 3.320 10 0 DGAERO C[C@@H]1CN(C(=O)CCCSc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000423955551 434588234 /nfs/dbraw/zinc/58/82/34/434588234.db2.gz OYWVCEUKLDSSQF-RISCZKNCSA-N 1 0 312.866 3.018 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)c2cccc(C(C)=O)c2)CC1 ZINC000360369554 434589759 /nfs/dbraw/zinc/58/97/59/434589759.db2.gz PIZFUMDAGXTVFQ-UHFFFAOYSA-N 1 0 316.445 3.083 10 0 DGAERO COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)C3CC3)CCN2C2CC2)c1 ZINC000181283220 295322217 /nfs/dbraw/zinc/32/22/17/295322217.db2.gz UKGSMZNMMKXASW-UPRAQXHNSA-N 1 0 300.446 3.361 10 0 DGAERO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000459532671 434596849 /nfs/dbraw/zinc/59/68/49/434596849.db2.gz WWFMPCZQAUTWEI-KRWDZBQOSA-N 1 0 317.458 3.337 10 0 DGAERO COCCC1(C)C[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000459634216 434642368 /nfs/dbraw/zinc/64/23/68/434642368.db2.gz QZTSXCYXZVYGJE-UHFFFAOYSA-N 1 0 303.324 3.444 10 0 DGAERO COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000360438843 434604334 /nfs/dbraw/zinc/60/43/34/434604334.db2.gz ZZEYWTAJAKUASQ-WMZOPIPTSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1ncc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000459675830 434658617 /nfs/dbraw/zinc/65/86/17/434658617.db2.gz NDRUHFJWYJPZRA-AYHJJNSGSA-N 1 0 311.429 3.268 10 0 DGAERO c1ccc2c(c1)CO[C@@]21CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000360669357 434664074 /nfs/dbraw/zinc/66/40/74/434664074.db2.gz OLJWVEOFBAYOSO-PKOBYXMFSA-N 1 0 301.430 3.467 10 0 DGAERO C[C@H](C[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1)C(=O)OC(C)(C)C ZINC000459770406 434710575 /nfs/dbraw/zinc/71/05/75/434710575.db2.gz NBHAMDCFSRIVLP-GFCCVEGCSA-N 1 0 319.405 3.079 10 0 DGAERO C[C@@H](CSc1nnc(-c2ccc(Cl)cc2)n1C)[NH+](C)C ZINC000460447004 434757873 /nfs/dbraw/zinc/75/78/73/434757873.db2.gz CXPHNSWBMZMKMO-JTQLQIEISA-N 1 0 310.854 3.178 10 0 DGAERO Cc1cccc(Nc2nnc(SC[C@@H](C)[NH+](C)C)s2)c1 ZINC000460424357 434758441 /nfs/dbraw/zinc/75/84/41/434758441.db2.gz FKWWEFLZSTWMBL-LLVKDONJSA-N 1 0 308.476 3.632 10 0 DGAERO c1ccc(OCCOCC[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000441474194 434765277 /nfs/dbraw/zinc/76/52/77/434765277.db2.gz GCDIIHUJSMHZLB-UHFFFAOYSA-N 1 0 319.445 3.117 10 0 DGAERO COC1([C@H](C)[NH2+]CCc2c[nH]c3cc(F)ccc23)CCOCC1 ZINC000453081146 434794792 /nfs/dbraw/zinc/79/47/92/434794792.db2.gz FYSJTKVTMUGILS-ZDUSSCGKSA-N 1 0 320.408 3.023 10 0 DGAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc(Br)c1Cl ZINC000411527940 434796645 /nfs/dbraw/zinc/79/66/45/434796645.db2.gz GKLUICCOURUDHL-DTWKUNHWSA-N 1 0 306.631 3.209 10 0 DGAERO COC1([C@@H](C)[NH2+]CC2(c3cccc(F)c3)CC2)CCOCC1 ZINC000453118481 434806513 /nfs/dbraw/zinc/80/65/13/434806513.db2.gz YQVOEDZNBGDPLL-CQSZACIVSA-N 1 0 307.409 3.031 10 0 DGAERO c1cc(C[NH+]2CCCCC2)ccc1CSC[C@@H]1COCCO1 ZINC000419563588 434809684 /nfs/dbraw/zinc/80/96/84/434809684.db2.gz WJMBZQJFIYLSLO-SFHVURJKSA-N 1 0 321.486 3.321 10 0 DGAERO COC1([C@@H](C)[NH2+]CCCc2cccc(Cl)c2)CCOCC1 ZINC000453131486 434811197 /nfs/dbraw/zinc/81/11/97/434811197.db2.gz HDBAQSWYACYXIH-CQSZACIVSA-N 1 0 311.853 3.446 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3occ(C)c3c2)C1 ZINC000361174055 434821058 /nfs/dbraw/zinc/82/10/58/434821058.db2.gz RPFFGVYZAQRPNR-ZDUSSCGKSA-N 1 0 301.390 3.205 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CCC(CC)(CC)C2)CC1 ZINC000445900221 434836418 /nfs/dbraw/zinc/83/64/18/434836418.db2.gz ZAKFQRUUSJFVRP-UHFFFAOYSA-N 1 0 309.498 3.330 10 0 DGAERO C[C@H](CCO)CC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000453239438 434836988 /nfs/dbraw/zinc/83/69/88/434836988.db2.gz UQECSNMWWZGRMH-GUYCJALGSA-N 1 0 321.852 3.161 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2cc(C3CC3)ccc2F)CCOCC1 ZINC000453259832 434843117 /nfs/dbraw/zinc/84/31/17/434843117.db2.gz PGHXLXODGKODHS-ZDUSSCGKSA-N 1 0 307.409 3.377 10 0 DGAERO C[C@H](CCCO)C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000453282777 434847280 /nfs/dbraw/zinc/84/72/80/434847280.db2.gz VAMSGWLXFJLCEW-DYVFJYSZSA-N 1 0 321.852 3.161 10 0 DGAERO CCCN(CC[NH+](CC)CC)C(=O)N1CCc2ccccc21 ZINC000461973153 434896083 /nfs/dbraw/zinc/89/60/83/434896083.db2.gz QRVHOGBFTHYNEV-UHFFFAOYSA-N 1 0 303.450 3.223 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc2c1OCC2 ZINC000464072389 434976263 /nfs/dbraw/zinc/97/62/63/434976263.db2.gz RLCOTSXTCFZCIY-NZSAHSFTSA-N 1 0 315.457 3.349 10 0 DGAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC2(CC2)c2ccccc21 ZINC000462618256 434921895 /nfs/dbraw/zinc/92/18/95/434921895.db2.gz NOMJBBBQSVXPLU-OAHLLOKOSA-N 1 0 315.461 3.368 10 0 DGAERO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H]2C)CC1 ZINC000522560908 434926845 /nfs/dbraw/zinc/92/68/45/434926845.db2.gz WOZGGWNRQIGNFT-VYDXJSESSA-N 1 0 315.461 3.167 10 0 DGAERO COC1(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCC1 ZINC000462804353 434930398 /nfs/dbraw/zinc/93/03/98/434930398.db2.gz RLODXYLWGDMMGG-UHFFFAOYSA-N 1 0 305.418 3.301 10 0 DGAERO CC[NH+](CC)CCNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000465447637 435029780 /nfs/dbraw/zinc/02/97/80/435029780.db2.gz ZARJLHLZYPEYMO-GDBMZVCRSA-N 1 0 321.465 3.412 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc(Cl)c(C)c1 ZINC000464640488 434993547 /nfs/dbraw/zinc/99/35/47/434993547.db2.gz TZWXKKDOIWYSEA-MRXNPFEDSA-N 1 0 308.853 3.182 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC(C)C)c2ccccc2)C1 ZINC000524854467 434993725 /nfs/dbraw/zinc/99/37/25/434993725.db2.gz HZVCVLSKAJPHEO-AEFFLSMTSA-N 1 0 302.462 3.274 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000556125235 434995211 /nfs/dbraw/zinc/99/52/11/434995211.db2.gz KKWVEEBULDZHKS-LJQANCHMSA-N 1 0 301.478 3.072 10 0 DGAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000556518635 435009927 /nfs/dbraw/zinc/00/99/27/435009927.db2.gz IWUAKUDPCYSMPN-RBUKOAKNSA-N 1 0 300.446 3.083 10 0 DGAERO CCN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000466077661 435060172 /nfs/dbraw/zinc/06/01/72/435060172.db2.gz LXUUQCJTQCHRMT-XJKSGUPXSA-N 1 0 321.490 3.325 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC(C)(C)c2cccs2)CC1 ZINC000466089910 435061254 /nfs/dbraw/zinc/06/12/54/435061254.db2.gz ABCOLVLIXCYERE-UHFFFAOYSA-N 1 0 323.506 3.404 10 0 DGAERO CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2CCC23CCC3)cc1 ZINC000530940085 435062799 /nfs/dbraw/zinc/06/27/99/435062799.db2.gz IRHKVSSTRNGFLF-MRXNPFEDSA-N 1 0 303.446 3.352 10 0 DGAERO CCc1ccc(-c2ccc(C[NH2+][C@@](C)(CCO)COC)o2)cc1 ZINC000531172432 435075927 /nfs/dbraw/zinc/07/59/27/435075927.db2.gz WGCASEZTOPUTDQ-IBGZPJMESA-N 1 0 317.429 3.386 10 0 DGAERO CC(C)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000466669173 435086379 /nfs/dbraw/zinc/08/63/79/435086379.db2.gz FOOLNBFKPIGXDS-OAHLLOKOSA-N 1 0 318.417 3.254 10 0 DGAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[C@H]2C)CC1 ZINC000466691938 435087336 /nfs/dbraw/zinc/08/73/36/435087336.db2.gz XLWPXZSGSCRBEK-NVXWUHKLSA-N 1 0 309.498 3.186 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000465745991 435041233 /nfs/dbraw/zinc/04/12/33/435041233.db2.gz FESNOASUMRAGEW-DOTOQJQBSA-N 1 0 309.498 3.234 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000466747211 435091757 /nfs/dbraw/zinc/09/17/57/435091757.db2.gz GDEFTJOVBXHNTL-INIZCTEOSA-N 1 0 307.482 3.273 10 0 DGAERO CCc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000531722444 435112287 /nfs/dbraw/zinc/11/22/87/435112287.db2.gz BJLQHUJRUKHHJC-HNAYVOBHSA-N 1 0 313.445 3.237 10 0 DGAERO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000467357208 435117960 /nfs/dbraw/zinc/11/79/60/435117960.db2.gz HLXCMZHSUFMIST-AVGNSLFASA-N 1 0 312.841 3.379 10 0 DGAERO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000467506755 435123305 /nfs/dbraw/zinc/12/33/05/435123305.db2.gz UYJWUWWVHQTYSW-HNNXBMFYSA-N 1 0 312.413 3.202 10 0 DGAERO c1ccc(N2CC[C@H](C[NH2+][C@@H]3COc4ccccc4C3)C2)cc1 ZINC000559740664 435137536 /nfs/dbraw/zinc/13/75/36/435137536.db2.gz OYLHGHXFGMHWTI-AEFFLSMTSA-N 1 0 308.425 3.106 10 0 DGAERO C[C@@H](OCc1ccccc1)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639070017 435143433 /nfs/dbraw/zinc/14/34/33/435143433.db2.gz CLJQIJHZTAKVNK-WBVHZDCISA-N 1 0 324.424 3.071 10 0 DGAERO Cc1csc(NC(=O)C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 ZINC000495395930 435203911 /nfs/dbraw/zinc/20/39/11/435203911.db2.gz KAHGOBXEZHELAJ-IACUBPJLSA-N 1 0 309.479 3.440 10 0 DGAERO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000532584573 435178464 /nfs/dbraw/zinc/17/84/64/435178464.db2.gz RBSHLOOQTUDAPZ-ZFWWWQNUSA-N 1 0 318.417 3.254 10 0 DGAERO C[C@H](C(=O)NC1(c2cccc(Cl)c2)CCCC1)C1C[NH2+]C1 ZINC000262585182 298137779 /nfs/dbraw/zinc/13/77/79/298137779.db2.gz VGYUXEKBBOVRJE-LBPRGKRZSA-N 1 0 306.837 3.081 10 0 DGAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237479709 298259572 /nfs/dbraw/zinc/25/95/72/298259572.db2.gz GKTFXRJTYMRQLZ-FHLIZLRMSA-N 1 0 300.446 3.331 10 0 DGAERO c1ccc(-c2nnc([C@@H]3CCC[N@H+]3C[C@@H]3CCCOC3)[nH]2)cc1 ZINC000535764842 435347935 /nfs/dbraw/zinc/34/79/35/435347935.db2.gz JQOQRXYEPZZIFX-HOCLYGCPSA-N 1 0 312.417 3.035 10 0 DGAERO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000512546826 435360776 /nfs/dbraw/zinc/36/07/76/435360776.db2.gz GQNBNXGILYAPGK-UHFFFAOYSA-N 1 0 309.353 3.446 10 0 DGAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000481125703 435411449 /nfs/dbraw/zinc/41/14/49/435411449.db2.gz LPNFGOGQLGLGKR-GXTWGEPZSA-N 1 0 318.417 3.158 10 0 DGAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc2c1CCO2 ZINC000333194027 298585687 /nfs/dbraw/zinc/58/56/87/298585687.db2.gz WOTLSYLSQSGENJ-CQSZACIVSA-N 1 0 317.433 3.008 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCN1CCSCC1 ZINC000513495022 435391105 /nfs/dbraw/zinc/39/11/05/435391105.db2.gz LNMPNRLDSUQTKC-WYMLVPIESA-N 1 0 310.894 3.382 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000513544023 435393864 /nfs/dbraw/zinc/39/38/64/435393864.db2.gz CBAWRHBZPIRGQD-INDWDQIESA-N 1 0 304.821 3.096 10 0 DGAERO C[C@@H](CC(=O)N(C)CCC[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000537215107 435430605 /nfs/dbraw/zinc/43/06/05/435430605.db2.gz PCXJMTOWLVKEEO-CQSZACIVSA-N 1 0 310.869 3.319 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000537215934 435432158 /nfs/dbraw/zinc/43/21/58/435432158.db2.gz IYKPCMPDIWSJAV-UHFFFAOYSA-N 1 0 308.853 3.073 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000537215753 435432997 /nfs/dbraw/zinc/43/29/97/435432997.db2.gz XIOYTZIXDAROFF-UHFFFAOYSA-N 1 0 311.429 3.136 10 0 DGAERO c1cc(C2CCCCC2)ccc1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000568418013 435436576 /nfs/dbraw/zinc/43/65/76/435436576.db2.gz AMLCPFWTSYHQCT-KDURUIRLSA-N 1 0 301.430 3.334 10 0 DGAERO CC(=O)c1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)ccc1C ZINC000569119350 435505516 /nfs/dbraw/zinc/50/55/16/435505516.db2.gz WNBJPDGMTUDEGT-XYPHTWIQSA-N 1 0 300.402 3.057 10 0 DGAERO CCCOc1ccc(C(C)(C)[NH2+]CC(=O)N(C)CC2CC2)cc1 ZINC000483270644 435506203 /nfs/dbraw/zinc/50/62/03/435506203.db2.gz LKPAQBNQUKLYKL-UHFFFAOYSA-N 1 0 318.461 3.169 10 0 DGAERO CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2C[C@@H]2C)CC1)CC1CC1 ZINC000538913834 435532505 /nfs/dbraw/zinc/53/25/05/435532505.db2.gz LMMLXPATTWWZJD-YJBOKZPZSA-N 1 0 321.509 3.186 10 0 DGAERO CC(C)=CCOc1cccc(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000538314317 435492294 /nfs/dbraw/zinc/49/22/94/435492294.db2.gz FKHNGZZQKFGKPB-UHFFFAOYSA-N 1 0 304.434 3.055 10 0 DGAERO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)CCC[NH+](C)C ZINC000538316095 435492882 /nfs/dbraw/zinc/49/28/82/435492882.db2.gz UFLAAOPXCXOVBJ-OAHLLOKOSA-N 1 0 320.477 3.162 10 0 DGAERO CCc1ccccc1CC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000483190815 435500407 /nfs/dbraw/zinc/50/04/07/435500407.db2.gz DSXQLUQCNYQUBU-LJQANCHMSA-N 1 0 303.446 3.061 10 0 DGAERO CCNC(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000540822088 435617220 /nfs/dbraw/zinc/61/72/20/435617220.db2.gz OQNIYOOOMFGQBG-MAUKXSAKSA-N 1 0 302.462 3.292 10 0 DGAERO COC[C@@H](C)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000570432998 435619239 /nfs/dbraw/zinc/61/92/39/435619239.db2.gz PNWMRIWHEJADSW-JTQLQIEISA-N 1 0 304.203 3.303 10 0 DGAERO C[C@@H](Cc1ccccc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000486241701 435593044 /nfs/dbraw/zinc/59/30/44/435593044.db2.gz CXAQHOGZQMRFAJ-SJORKVTESA-N 1 0 316.489 3.492 10 0 DGAERO c1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]2CCOC2)cc1 ZINC000540410903 435600131 /nfs/dbraw/zinc/60/01/31/435600131.db2.gz FAUWREJEGSIWKN-QUCCMNQESA-N 1 0 314.473 3.228 10 0 DGAERO c1ccc(C2([NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)CCCCC2)cc1 ZINC000540469182 435602024 /nfs/dbraw/zinc/60/20/24/435602024.db2.gz JCQPMDWEHBKDBB-KDURUIRLSA-N 1 0 314.473 3.299 10 0 DGAERO COc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ncn1 ZINC000548117454 435670660 /nfs/dbraw/zinc/67/06/60/435670660.db2.gz LBNVNGAEKVYXCT-WBMJQRKESA-N 1 0 318.446 3.042 10 0 DGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000548020933 435661050 /nfs/dbraw/zinc/66/10/50/435661050.db2.gz AVWNHNOEFPASRI-ZIDRGXKLSA-N 1 0 311.429 3.426 10 0 DGAERO COC[C@H]([NH2+][C@H](COC)Cc1ccccc1)c1ccc(F)cc1 ZINC000548195098 435678302 /nfs/dbraw/zinc/67/83/02/435678302.db2.gz PHZLCAFFMIGJBE-OALUTQOASA-N 1 0 317.404 3.361 10 0 DGAERO CCCC[C@@H](C(=O)OC)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059027 435700939 /nfs/dbraw/zinc/70/09/39/435700939.db2.gz QSAXFSPHELAQQM-MSOLQXFVSA-N 1 0 324.509 3.306 10 0 DGAERO c1cc(-c2cc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)n[nH]2)co1 ZINC000571508593 435712519 /nfs/dbraw/zinc/71/25/19/435712519.db2.gz MTLWIXOOCFMTLC-UHFFFAOYSA-N 1 0 318.296 3.034 10 0 DGAERO C[C@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000551525679 435839634 /nfs/dbraw/zinc/83/96/34/435839634.db2.gz KWKADIQZTUHOHL-XLIONFOSSA-N 1 0 318.505 3.428 10 0 DGAERO Cc1ccc2nc(C[NH2+]C[C@](C)(O)C3CCCCC3)cn2c1 ZINC000551231589 435825605 /nfs/dbraw/zinc/82/56/05/435825605.db2.gz RBADLPVOOLCQSZ-SFHVURJKSA-N 1 0 301.434 3.064 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000552576517 435905903 /nfs/dbraw/zinc/90/59/03/435905903.db2.gz ZUAWHEOPQSBRLC-BDAKNGLRSA-N 1 0 310.246 3.077 10 0 DGAERO Brc1ccc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656608858 435982316 /nfs/dbraw/zinc/98/23/16/435982316.db2.gz NTQPBJSXNQWFPV-CYBMUJFWSA-N 1 0 324.266 3.060 10 0 DGAERO C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1cccc(Br)c1 ZINC000657299692 436124113 /nfs/dbraw/zinc/12/41/13/436124113.db2.gz XZMWGJMSZPKBCJ-LLVKDONJSA-N 1 0 320.234 3.443 10 0 DGAERO Cc1nc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]c1C ZINC000657432789 436198653 /nfs/dbraw/zinc/19/86/53/436198653.db2.gz KECJDRFUVBMVNP-GBESFXJTSA-N 1 0 324.472 3.027 10 0 DGAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000658301107 436423350 /nfs/dbraw/zinc/42/33/50/436423350.db2.gz WNBRGCANWRGTKL-UONOGXRCSA-N 1 0 301.496 3.148 10 0 DGAERO Cc1ccccc1[C@H]([NH2+]C1CCN(C(N)=O)CC1)C(C)(C)C ZINC000163450976 302197467 /nfs/dbraw/zinc/19/74/67/302197467.db2.gz UPQYDVMXQYSCEC-INIZCTEOSA-N 1 0 303.450 3.215 10 0 DGAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000163013957 302310562 /nfs/dbraw/zinc/31/05/62/302310562.db2.gz DXVUZHIWKSNDMU-ZNMIVQPWSA-N 1 0 308.491 3.253 10 0 DGAERO Cc1sc2nc(C)nc(N3CC[C@H](C)C[C@@H]3C[NH3+])c2c1C ZINC000261736423 302881718 /nfs/dbraw/zinc/88/17/18/302881718.db2.gz RSKYBKJVESVIOA-TVQRCGJNSA-N 1 0 304.463 3.180 10 0 DGAERO NC(=O)[C@@]([NH2+]C1CCCCC1)(c1ccc(Cl)cc1)C1CC1 ZINC000037971511 303321688 /nfs/dbraw/zinc/32/16/88/303321688.db2.gz HBJHZLDTSVEILX-KRWDZBQOSA-N 1 0 306.837 3.353 10 0 DGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000261664400 303363484 /nfs/dbraw/zinc/36/34/84/303363484.db2.gz OFBCSCKZBLCFGX-TYLJAWADSA-N 1 0 316.489 3.225 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000132974257 312655999 /nfs/dbraw/zinc/65/59/99/312655999.db2.gz UJSFZWORFAFMFR-LBPRGKRZSA-N 1 0 312.816 3.344 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)C(C)(C)C ZINC000173392962 312756596 /nfs/dbraw/zinc/75/65/96/312756596.db2.gz KPFPJFOBYMZIKC-LLVKDONJSA-N 1 0 305.447 3.283 10 0 DGAERO CC(C)c1nc(C2(NCC[NH+]3CCCCC3)CCCC2)no1 ZINC000174240595 312761811 /nfs/dbraw/zinc/76/18/11/312761811.db2.gz PKFHJPIDQLFIMS-UHFFFAOYSA-N 1 0 306.454 3.038 10 0 DGAERO COc1ccccc1-c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000174416970 312762719 /nfs/dbraw/zinc/76/27/19/312762719.db2.gz ZMDCWLSPSGLDQD-KRWDZBQOSA-N 1 0 324.424 3.073 10 0 DGAERO C[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CS(C)(=O)=O ZINC000176958310 312778228 /nfs/dbraw/zinc/77/82/28/312778228.db2.gz SLBKKJSXSWAHKB-XHDPSFHLSA-N 1 0 315.866 3.061 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccoc1 ZINC000177932856 312784673 /nfs/dbraw/zinc/78/46/73/312784673.db2.gz IFHDMRQNWBCBEJ-OAHLLOKOSA-N 1 0 308.381 3.340 10 0 DGAERO CC(C)Sc1ccc([C@H](C)[NH2+]CC2(O)CCOCC2)cc1 ZINC000178637177 312791267 /nfs/dbraw/zinc/79/12/67/312791267.db2.gz ACFMVGSOAWKEEO-AWEZNQCLSA-N 1 0 309.475 3.379 10 0 DGAERO CCC[C@@H](C)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000179729713 312815305 /nfs/dbraw/zinc/81/53/05/312815305.db2.gz CGIFABJTZGCNJT-OAHLLOKOSA-N 1 0 303.450 3.477 10 0 DGAERO c1cc(-c2ccc(C[NH+]3CCC([C@H]4CCCO4)CC3)o2)n[nH]1 ZINC000376507029 312957512 /nfs/dbraw/zinc/95/75/12/312957512.db2.gz SSSUXVXEIDGZIR-MRXNPFEDSA-N 1 0 301.390 3.061 10 0 DGAERO CN(Cc1ccc(Br)c(F)c1F)C1(C[NH3+])CCC1 ZINC000530220909 313342207 /nfs/dbraw/zinc/34/22/07/313342207.db2.gz KBZLYYRDIHQTIL-UHFFFAOYSA-N 1 0 319.193 3.041 10 0 DGAERO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000530337167 313359399 /nfs/dbraw/zinc/35/93/99/313359399.db2.gz MNHAHKOGNNARLM-NEPJUHHUSA-N 1 0 305.340 3.438 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc2c1OCO2 ZINC000530492218 313375556 /nfs/dbraw/zinc/37/55/56/313375556.db2.gz ZMVQGCHCZZADAJ-IXDOHACOSA-N 1 0 317.429 3.143 10 0 DGAERO Cn1cncc1CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000530513382 313379783 /nfs/dbraw/zinc/37/97/83/313379783.db2.gz RSVLXLRMFNNIAL-CQSZACIVSA-N 1 0 324.350 3.044 10 0 DGAERO c1ccc2nc(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)ccc2c1 ZINC000531911759 313501834 /nfs/dbraw/zinc/50/18/34/313501834.db2.gz GDAVYLTULOBTFR-QZTJIDSGSA-N 1 0 311.429 3.290 10 0 DGAERO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000531990161 313509122 /nfs/dbraw/zinc/50/91/22/313509122.db2.gz DBRLMZZNVRDWPC-QAPCUYQASA-N 1 0 324.424 3.460 10 0 DGAERO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000533625206 313631955 /nfs/dbraw/zinc/63/19/55/313631955.db2.gz IEBHTSJXROWECM-HUJKARHJSA-N 1 0 323.436 3.402 10 0 DGAERO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000533625205 313632324 /nfs/dbraw/zinc/63/23/24/313632324.db2.gz IEBHTSJXROWECM-FCRQHZQGSA-N 1 0 323.436 3.402 10 0 DGAERO Cc1nn(C)c(C)c1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000537511682 313816288 /nfs/dbraw/zinc/81/62/88/313816288.db2.gz QWPSWQRVJQODND-CXAGYDPISA-N 1 0 304.482 3.492 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000538316359 313856733 /nfs/dbraw/zinc/85/67/33/313856733.db2.gz UVSVVUCMGOTJON-UHFFFAOYSA-N 1 0 321.808 3.019 10 0 DGAERO CCCCN(CC)c1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000539418709 313911960 /nfs/dbraw/zinc/91/19/60/313911960.db2.gz JYJUILUNHOTOAB-UHFFFAOYSA-N 1 0 319.493 3.337 10 0 DGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000541341079 314010185 /nfs/dbraw/zinc/01/01/85/314010185.db2.gz DLHVLLWXHXUIKD-IAGOWNOFSA-N 1 0 321.509 3.495 10 0 DGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000541493825 314018207 /nfs/dbraw/zinc/01/82/07/314018207.db2.gz XNDQSSISTNLDOG-DLBZAZTESA-N 1 0 307.482 3.105 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000541776846 314037801 /nfs/dbraw/zinc/03/78/01/314037801.db2.gz XBMUVGPTJOUJTM-UHFFFAOYSA-N 1 0 318.446 3.226 10 0 DGAERO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000542249303 314064452 /nfs/dbraw/zinc/06/44/52/314064452.db2.gz KRBGLMGVQPZBNB-MSOLQXFVSA-N 1 0 303.446 3.331 10 0 DGAERO C[N@@H+](CC(=O)NCCCc1ccccc1)C[C@@H]1CC=CCC1 ZINC000542248681 314064754 /nfs/dbraw/zinc/06/47/54/314064754.db2.gz NKIAVWITHUQMJM-GOSISDBHSA-N 1 0 300.446 3.024 10 0 DGAERO C[C@@H](CNC(=O)N(C)C[C@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000542270311 314066662 /nfs/dbraw/zinc/06/66/62/314066662.db2.gz LBZNHNFGQXWTCY-IRXDYDNUSA-N 1 0 307.482 3.105 10 0 DGAERO COC[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)cc1 ZINC000542542271 314084054 /nfs/dbraw/zinc/08/40/54/314084054.db2.gz SAJJCOWQJLSCLE-RTBURBONSA-N 1 0 317.404 3.097 10 0 DGAERO Cc1cc([C@@H](NC(=O)N(C)CCC[NH+](C)C)C2CC2)ccc1F ZINC000542760355 314095011 /nfs/dbraw/zinc/09/50/11/314095011.db2.gz KKONLYSLRLUKPO-KRWDZBQOSA-N 1 0 321.440 3.178 10 0 DGAERO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2C[C@H]2C)CC1 ZINC000542983878 314109065 /nfs/dbraw/zinc/10/90/65/314109065.db2.gz RQZVGNXGIBFOHF-WBVHZDCISA-N 1 0 309.498 3.186 10 0 DGAERO C[C@@H](Cc1ccsc1)[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000543081025 314113554 /nfs/dbraw/zinc/11/35/54/314113554.db2.gz LXGYNHKAPUKGEN-YOEHRIQHSA-N 1 0 314.454 3.242 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000543208173 314121849 /nfs/dbraw/zinc/12/18/49/314121849.db2.gz KHCYLCRZTYTPBM-GOEBONIOSA-N 1 0 321.490 3.349 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000543661943 314149011 /nfs/dbraw/zinc/14/90/11/314149011.db2.gz INLNJTVZURNGHO-UHFFFAOYSA-N 1 0 300.406 3.097 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](C(C)(C)C)C2)CC1 ZINC000544134825 314175463 /nfs/dbraw/zinc/17/54/63/314175463.db2.gz SOKQOSCZHQDKSQ-INIZCTEOSA-N 1 0 309.498 3.186 10 0 DGAERO C[C@@H](C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1)C[C@H](C)O ZINC000544567230 314199323 /nfs/dbraw/zinc/19/93/23/314199323.db2.gz REDFBGZZHBLSNX-IGCXYCKISA-N 1 0 321.852 3.160 10 0 DGAERO CCSCc1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000544589025 314201789 /nfs/dbraw/zinc/20/17/89/314201789.db2.gz WRICEWTZFVDVLA-UHFFFAOYSA-N 1 0 309.479 3.355 10 0 DGAERO COCC[C@H](Cc1cccc(F)c1)[NH2+]CCN1CC=C(C)CC1 ZINC000545158429 314228520 /nfs/dbraw/zinc/22/85/20/314228520.db2.gz KMWVLCIIASCNSJ-LJQANCHMSA-N 1 0 320.452 3.015 10 0 DGAERO c1cc(CC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc2c1OCO2 ZINC000545199374 314232121 /nfs/dbraw/zinc/23/21/21/314232121.db2.gz YSUWFZVROCJOCN-GVDBMIGSSA-N 1 0 317.429 3.143 10 0 DGAERO Cc1ccc(C[C@@H]([NH2+]Cc2nnc3ccccn32)C(C)C)cc1 ZINC000546165265 314294026 /nfs/dbraw/zinc/29/40/26/314294026.db2.gz BQAIOROGKAPCED-QGZVFWFLSA-N 1 0 308.429 3.395 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc3ncsc3c2)CC1 ZINC000547282619 314352903 /nfs/dbraw/zinc/35/29/03/314352903.db2.gz WCSMGKVIYJONCD-UHFFFAOYSA-N 1 0 316.430 3.070 10 0 DGAERO CCOc1cc(C[NH+]2CCC(C3CCOCC3)CC2)ccc1O ZINC000550958826 314546447 /nfs/dbraw/zinc/54/64/47/314546447.db2.gz ZZFFNKHSFCRIIX-UHFFFAOYSA-N 1 0 319.445 3.430 10 0 DGAERO Cc1nc(CC[NH2+]Cc2cnc(-c3ccncc3)s2)c(C)o1 ZINC000551871534 314577483 /nfs/dbraw/zinc/57/74/83/314577483.db2.gz MSEHWUJJAFGUDY-UHFFFAOYSA-N 1 0 314.414 3.142 10 0 DGAERO C[C@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000554724317 314697123 /nfs/dbraw/zinc/69/71/23/314697123.db2.gz DDIYQWLFOXFUCO-GUYCJALGSA-N 1 0 316.445 3.163 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000561310499 314963955 /nfs/dbraw/zinc/96/39/55/314963955.db2.gz GKCVNJWNCURFQE-AFGAAMFOSA-N 1 0 306.494 3.393 10 0 DGAERO Cc1ccc2[nH]c(C[NH2+][C@H]3CCC[C@H](c4ccnn4C)C3)nc2c1 ZINC000562616593 315036656 /nfs/dbraw/zinc/03/66/56/315036656.db2.gz DAPLZGHCHMRODH-GJZGRUSLSA-N 1 0 323.444 3.421 10 0 DGAERO c1c2cccnc2oc1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000562653717 315039697 /nfs/dbraw/zinc/03/96/97/315039697.db2.gz MATKYZCXNZASDU-CQSZACIVSA-N 1 0 310.353 3.148 10 0 DGAERO c1nc(C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)c[nH]1 ZINC000563024853 315071171 /nfs/dbraw/zinc/07/11/71/315071171.db2.gz DDHKAEOGEMKBMJ-UHFFFAOYSA-N 1 0 319.412 3.246 10 0 DGAERO c1c(C[N@@H+]2CC[C@H](c3cccnc3)C2)[nH]nc1-c1ccccc1 ZINC000563159203 315084388 /nfs/dbraw/zinc/08/43/88/315084388.db2.gz YNOWPBULRURLPN-KRWDZBQOSA-N 1 0 304.397 3.461 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)NCC2(C)CCCCC2)CC1 ZINC000564619327 315186395 /nfs/dbraw/zinc/18/63/95/315186395.db2.gz ILHJJSLLZMOGAQ-UHFFFAOYSA-N 1 0 309.498 3.378 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]CCc3cccnc3)CC23CC3)cc1 ZINC000566216061 315322629 /nfs/dbraw/zinc/32/26/29/315322629.db2.gz KECQZEXUUGPXCJ-FQEVSTJZSA-N 1 0 321.468 3.411 10 0 DGAERO c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CCCCO3)CC23CC3)cc1 ZINC000566216109 315322697 /nfs/dbraw/zinc/32/26/97/315322697.db2.gz OIKLMEZAYNZOJY-OALUTQOASA-N 1 0 314.473 3.342 10 0 DGAERO Cc1cccnc1CC[NH2+][C@H](C)c1cncc(Br)c1 ZINC000566984925 315389203 /nfs/dbraw/zinc/38/92/03/315389203.db2.gz WXKCREFHWQHHAN-GFCCVEGCSA-N 1 0 320.234 3.441 10 0 DGAERO Cc1cc(C)c(CC(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000179988410 323219326 /nfs/dbraw/zinc/21/93/26/323219326.db2.gz YGXSKMGSXUCMPE-UHFFFAOYSA-N 1 0 316.489 3.391 10 0 DGAERO CCC[C@H](C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180083523 323220732 /nfs/dbraw/zinc/22/07/32/323220732.db2.gz FIAVSKAXHYAXBU-KBPBESRZSA-N 1 0 312.479 3.024 10 0 DGAERO Cc1ccc([C@H](C[NH2+][C@@H](C)C(C)(C)C)N2CCOCC2)s1 ZINC000180655942 323234804 /nfs/dbraw/zinc/23/48/04/323234804.db2.gz NASNBMABGIIDJY-GJZGRUSLSA-N 1 0 310.507 3.454 10 0 DGAERO CC[C@H]([NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1)C(C)C ZINC000180658788 323235603 /nfs/dbraw/zinc/23/56/03/323235603.db2.gz JWJODQVKEOZMEN-HOTGVXAUSA-N 1 0 310.507 3.454 10 0 DGAERO NC(=O)C[C@@H]([NH2+]Cc1ccc2ccccc2n1)C1CCCCC1 ZINC000180968607 323242187 /nfs/dbraw/zinc/24/21/87/323242187.db2.gz HARWJLGTCKIWIP-GOSISDBHSA-N 1 0 311.429 3.149 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)CCc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000181013913 323244136 /nfs/dbraw/zinc/24/41/36/323244136.db2.gz POZITPALFAXXSA-RHSMWYFYSA-N 1 0 313.445 3.042 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]CCCc2nc(C(C)C)no2)C12CCC2 ZINC000181666928 323263193 /nfs/dbraw/zinc/26/31/93/323263193.db2.gz MIDOKAMLQYRZKR-UONOGXRCSA-N 1 0 307.438 3.063 10 0 DGAERO CCC1(CC)[C@H]([NH2+]CCCc2nc(C(C)C)no2)C[C@@H]1OC ZINC000181667286 323263231 /nfs/dbraw/zinc/26/32/31/323263231.db2.gz KFBAYXDFJALJHG-KGLIPLIRSA-N 1 0 309.454 3.309 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCC2(C)CCCCCC2)CC[N@@H+]1C ZINC000181720320 323265894 /nfs/dbraw/zinc/26/58/94/323265894.db2.gz ZENBGLTZGWZEMZ-HOTGVXAUSA-N 1 0 309.498 3.471 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nccn2CC(C)C)C12CCCC2 ZINC000181810245 323270174 /nfs/dbraw/zinc/27/01/74/323270174.db2.gz XCEVXXGHJMVYLZ-HZPDHXFCSA-N 1 0 305.466 3.367 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)C1(C)C ZINC000181891768 323273899 /nfs/dbraw/zinc/27/38/99/323273899.db2.gz GMUQXQGHEFQPBD-BPLDGKMQSA-N 1 0 323.868 3.107 10 0 DGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000182029594 323280621 /nfs/dbraw/zinc/28/06/21/323280621.db2.gz PIJKFHJREYNXQJ-SFHVURJKSA-N 1 0 309.457 3.078 10 0 DGAERO COc1ccc(CC[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000182045586 323281356 /nfs/dbraw/zinc/28/13/56/323281356.db2.gz APVPFVAWXZIZHW-OAHLLOKOSA-N 1 0 322.412 3.169 10 0 DGAERO C[C@H]([NH2+]Cc1ccncc1Cl)c1ccc(-n2ccnn2)cc1 ZINC000182040862 323281471 /nfs/dbraw/zinc/28/14/71/323281471.db2.gz RWAYZACPVUJIRW-LBPRGKRZSA-N 1 0 313.792 3.167 10 0 DGAERO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(F)cc1)Cc1ccccc1 ZINC000182056414 323281794 /nfs/dbraw/zinc/28/17/94/323281794.db2.gz BMESXMQBRWFXEW-QAPCUYQASA-N 1 0 317.404 3.034 10 0 DGAERO C[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)Cc1ccccc1 ZINC000182056681 323282189 /nfs/dbraw/zinc/28/21/89/323282189.db2.gz WQNSNCOYRLIKBX-SFHVURJKSA-N 1 0 324.468 3.492 10 0 DGAERO COc1cccc([C@H](C)[NH2+][C@@H](CC(N)=O)C2CCCCC2)c1 ZINC000182075258 323282690 /nfs/dbraw/zinc/28/26/90/323282690.db2.gz AULQUTYCSRPENF-GUYCJALGSA-N 1 0 304.434 3.170 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000182109487 323283250 /nfs/dbraw/zinc/28/32/50/323283250.db2.gz BARMTNHQVMGCCV-ZWKOTPCHSA-N 1 0 321.509 3.399 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182245561 323288838 /nfs/dbraw/zinc/28/88/38/323288838.db2.gz HKPLRSUFXBXSEP-HOTGVXAUSA-N 1 0 310.482 3.153 10 0 DGAERO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000182278236 323290459 /nfs/dbraw/zinc/29/04/59/323290459.db2.gz WDHHTOLXEUYNIZ-ZDUSSCGKSA-N 1 0 312.369 3.013 10 0 DGAERO CC[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCCO1 ZINC000182349120 323295346 /nfs/dbraw/zinc/29/53/46/323295346.db2.gz MDJHQXUOKVWPPJ-DLBZAZTESA-N 1 0 303.381 3.059 10 0 DGAERO CCC[C@H](C(=O)Nc1nc2cc(C)ccc2n1CC)[NH+](C)C ZINC000182477086 323300830 /nfs/dbraw/zinc/30/08/30/323300830.db2.gz MJSPIBPMXOUZNI-OAHLLOKOSA-N 1 0 302.422 3.033 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000182495403 323301745 /nfs/dbraw/zinc/30/17/45/323301745.db2.gz MZQVUFODXTVAGA-GFCCVEGCSA-N 1 0 323.824 3.006 10 0 DGAERO CC[C@@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000182565676 323304548 /nfs/dbraw/zinc/30/45/48/323304548.db2.gz FCVZSBJTFNMJBM-SJLPKXTDSA-N 1 0 320.477 3.281 10 0 DGAERO C[C@H]1CCCC[C@H]1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000183054373 323322636 /nfs/dbraw/zinc/32/26/36/323322636.db2.gz VHGFOIAVFIKFHE-HOTGVXAUSA-N 1 0 302.466 3.204 10 0 DGAERO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@@H]3CCCC[C@@H]3C)CCO2)n1 ZINC000183060419 323322740 /nfs/dbraw/zinc/32/27/40/323322740.db2.gz CZQBQRWNKZRNSB-WBAXXEDZSA-N 1 0 305.466 3.027 10 0 DGAERO C[NH+](C)[C@H]1CCCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000183073507 323323502 /nfs/dbraw/zinc/32/35/02/323323502.db2.gz YOWDFUPJFMZBSP-RUXDESIVSA-N 1 0 320.399 3.298 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H]2c3ccccc3CCC2(C)C)no1 ZINC000183133809 323327004 /nfs/dbraw/zinc/32/70/04/323327004.db2.gz KEHQNZOTSUGRRL-QGZVFWFLSA-N 1 0 313.401 3.225 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183213059 323330113 /nfs/dbraw/zinc/33/01/13/323330113.db2.gz IULJGAHRJUKQKV-IWMBGFJWSA-N 1 0 320.399 3.296 10 0 DGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183213040 323330268 /nfs/dbraw/zinc/33/02/68/323330268.db2.gz IULJGAHRJUKQKV-FEPKRQSRSA-N 1 0 320.399 3.296 10 0 DGAERO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc(F)c1F ZINC000183243592 323331111 /nfs/dbraw/zinc/33/11/11/323331111.db2.gz BFSQFDATVHSQLB-LBPRGKRZSA-N 1 0 304.340 3.045 10 0 DGAERO CC[N@H+](CC(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1)C1CC1 ZINC000183788249 323348426 /nfs/dbraw/zinc/34/84/26/323348426.db2.gz BWRYLZHTILPCJT-INIZCTEOSA-N 1 0 300.446 3.104 10 0 DGAERO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000185368850 323387843 /nfs/dbraw/zinc/38/78/43/323387843.db2.gz JEUYNBRHMMQNMS-CQSZACIVSA-N 1 0 319.367 3.467 10 0 DGAERO COC[C@H](C)C[NH2+]Cc1ccc(Oc2cccc(OC)c2)nc1 ZINC000187681786 323418062 /nfs/dbraw/zinc/41/80/62/323418062.db2.gz BRCJEEZBPGULPT-CQSZACIVSA-N 1 0 316.401 3.255 10 0 DGAERO COCC[C@H](COC)[NH2+][C@@H](C)c1sccc1Br ZINC000384014435 323627002 /nfs/dbraw/zinc/62/70/02/323627002.db2.gz OWJBCGPEEHGFBV-VHSXEESVSA-N 1 0 322.268 3.213 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@H](C)O1 ZINC000384587920 323628672 /nfs/dbraw/zinc/62/86/72/323628672.db2.gz LXXNFPRQBLDCGI-ZDMBXUJBSA-N 1 0 302.187 3.244 10 0 DGAERO OC[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C1CCCC1 ZINC000386366894 323637968 /nfs/dbraw/zinc/63/79/68/323637968.db2.gz PBJVJYYBQJEDNK-AWEZNQCLSA-N 1 0 316.214 3.229 10 0 DGAERO CC(F)(F)CCC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000390229375 323665637 /nfs/dbraw/zinc/66/56/37/323665637.db2.gz FKALWDDIDKRKLH-NSHDSACASA-N 1 0 307.768 3.105 10 0 DGAERO Brc1cccc2c1C[C@H]([NH2+]CC[C@H]1CCOC1)CC2 ZINC000580335714 323986139 /nfs/dbraw/zinc/98/61/39/323986139.db2.gz HTHVEHXGRJFADZ-GXTWGEPZSA-N 1 0 324.262 3.323 10 0 DGAERO c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000580736828 324032870 /nfs/dbraw/zinc/03/28/70/324032870.db2.gz HBZNDZNZRDCWEC-LUKYLMHMSA-N 1 0 301.430 3.348 10 0 DGAERO O=C(CC[NH2+]CCc1cccc2ccccc21)Nc1cccnc1 ZINC000582700176 324263055 /nfs/dbraw/zinc/26/30/55/324263055.db2.gz PAABYKAOSQDMCL-UHFFFAOYSA-N 1 0 319.408 3.396 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000583373398 324345599 /nfs/dbraw/zinc/34/55/99/324345599.db2.gz XYDUFDUJZFQSSM-DZKIICNBSA-N 1 0 322.399 3.059 10 0 DGAERO C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000583438609 324354197 /nfs/dbraw/zinc/35/41/97/324354197.db2.gz UPYYPHQSRHHNKW-GJZGRUSLSA-N 1 0 305.422 3.118 10 0 DGAERO C[NH2+]Cc1ccccc1[C@@H](O)c1ccc(Br)cc1 ZINC000584596975 337374388 /nfs/dbraw/zinc/37/43/88/337374388.db2.gz TVVVCZOUPZWBAU-HNNXBMFYSA-N 1 0 306.203 3.250 10 0 DGAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000309840730 534005077 /nfs/dbraw/zinc/00/50/77/534005077.db2.gz CZLKHAVPTFREGZ-GGZOMVNGSA-N 1 0 301.253 3.389 10 0 DGAERO C[C@H](C[N@H+](C)CC1(CO)CC1)c1cccc(Br)c1 ZINC000188960507 534019848 /nfs/dbraw/zinc/01/98/48/534019848.db2.gz RCFAPYNFSTXILO-GFCCVEGCSA-N 1 0 312.251 3.257 10 0 DGAERO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cccs2)nc1 ZINC000328652722 534064743 /nfs/dbraw/zinc/06/47/43/534064743.db2.gz WQVBBRWCBBRXEJ-HOCLYGCPSA-N 1 0 319.449 3.154 10 0 DGAERO C[C@]1(CNC(=O)c2cccc(O)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000154849418 534174807 /nfs/dbraw/zinc/17/48/07/534174807.db2.gz VCDLHLQQQFXKDN-HXUWFJFHSA-N 1 0 324.424 3.177 10 0 DGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000162598840 534438412 /nfs/dbraw/zinc/43/84/12/534438412.db2.gz OUOLUMGLRDDUTI-FZMZJTMJSA-N 1 0 305.315 3.485 10 0 DGAERO c1ccc(Cc2nccc(N3CCC([NH+]4CCCC4)CC3)n2)cc1 ZINC000302045286 534491354 /nfs/dbraw/zinc/49/13/54/534491354.db2.gz UECISAWCVAXVPO-UHFFFAOYSA-N 1 0 322.456 3.132 10 0 DGAERO CC1(C)CN(Cc2csc(Cc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000261758001 520485431 /nfs/dbraw/zinc/48/54/31/520485431.db2.gz LOFLVUYBFREEIH-MRXNPFEDSA-N 1 0 315.486 3.293 10 0 DGAERO Cc1ccc2[nH+]ccc(NCCc3nnc4ccccn43)c2c1 ZINC000302159987 534523767 /nfs/dbraw/zinc/52/37/67/534523767.db2.gz OQKOOAGBWOYVDJ-UHFFFAOYSA-N 1 0 303.369 3.241 10 0 DGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157517338 521333161 /nfs/dbraw/zinc/33/31/61/521333161.db2.gz FVNOVKMCJAIRKB-GXTWGEPZSA-N 1 0 322.497 3.290 10 0 DGAERO CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157688862 521636026 /nfs/dbraw/zinc/63/60/26/521636026.db2.gz RFYHFJKFSWOSRW-AWEZNQCLSA-N 1 0 322.497 3.246 10 0 DGAERO CCCN(C[C@@H]1CCCCO1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156288329 521676623 /nfs/dbraw/zinc/67/66/23/521676623.db2.gz IDKVLYGZNZYXLB-SFHVURJKSA-N 1 0 318.461 3.170 10 0 DGAERO CC[C@@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000156079815 522226065 /nfs/dbraw/zinc/22/60/65/522226065.db2.gz INDQMKWUSCPKJC-LLVKDONJSA-N 1 0 301.356 3.457 10 0 DGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000163440319 523835790 /nfs/dbraw/zinc/83/57/90/523835790.db2.gz ISIMZLPZGLHBDB-HOCLYGCPSA-N 1 0 302.418 3.194 10 0 DGAERO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181300438 523973236 /nfs/dbraw/zinc/97/32/36/523973236.db2.gz AEKTZBXPSWRODR-GJZGRUSLSA-N 1 0 311.429 3.314 10 0 DGAERO C[C@@H](C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000164199902 524087855 /nfs/dbraw/zinc/08/78/55/524087855.db2.gz HKDXPNKEOTVXRD-NXEZZACHSA-N 1 0 315.244 3.368 10 0 DGAERO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000154411531 525095483 /nfs/dbraw/zinc/09/54/83/525095483.db2.gz FJSCVNXMJFKJHS-TYNCELHUSA-N 1 0 321.852 3.325 10 0 DGAERO Cc1cc(NCC2CC[NH2+]CC2)nc(-c2cccc(F)c2)n1 ZINC000070455991 525266475 /nfs/dbraw/zinc/26/64/75/525266475.db2.gz HNLASRFSASWMFU-UHFFFAOYSA-N 1 0 300.381 3.003 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(OC(C)(C)C)cc1 ZINC000157236071 525488443 /nfs/dbraw/zinc/48/84/43/525488443.db2.gz LAYHFFCZWBNBGD-DNVCBOLYSA-N 1 0 321.461 3.304 10 0 DGAERO CSCc1cc(F)ccc1CNC(=O)CCC1CC[NH2+]CC1 ZINC000155812430 525722181 /nfs/dbraw/zinc/72/21/81/525722181.db2.gz OSMMEJSYWNQEHX-UHFFFAOYSA-N 1 0 324.465 3.085 10 0 DGAERO CC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451356012 534888176 /nfs/dbraw/zinc/88/81/76/534888176.db2.gz WPWZENFFMAEMJJ-GUDVDZBRSA-N 1 0 301.430 3.405 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000154547066 525954913 /nfs/dbraw/zinc/95/49/13/525954913.db2.gz XJIQQRVFBONEQC-FBDDWCLBSA-N 1 0 312.457 3.341 10 0 DGAERO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccco3)C2)c1 ZINC000157549432 526159421 /nfs/dbraw/zinc/15/94/21/526159421.db2.gz LTYMIGOXZULLIU-LSDHHAIUSA-N 1 0 300.402 3.465 10 0 DGAERO Brc1ccccc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415054290 526647954 /nfs/dbraw/zinc/64/79/54/526647954.db2.gz PRLFVERPDYWYPR-BBRMVZONSA-N 1 0 323.278 3.413 10 0 DGAERO Cc1nc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nc2ccccc12 ZINC000157170663 526858928 /nfs/dbraw/zinc/85/89/28/526858928.db2.gz QNWKERDAMNYVIE-QGZVFWFLSA-N 1 0 324.472 3.389 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1Cl ZINC000415460668 527302284 /nfs/dbraw/zinc/30/22/84/527302284.db2.gz ZEZAETDFSVVZCK-MEBBXXQBSA-N 1 0 323.824 3.276 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000415438660 527302593 /nfs/dbraw/zinc/30/25/93/527302593.db2.gz BVHQKAMDVLLPPT-GFCCVEGCSA-N 1 0 323.824 3.135 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1Cl ZINC000415447405 527308223 /nfs/dbraw/zinc/30/82/23/527308223.db2.gz KVPMAOMUYUMVMW-HNNXBMFYSA-N 1 0 323.824 3.182 10 0 DGAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000431119938 527367627 /nfs/dbraw/zinc/36/76/27/527367627.db2.gz SLDRFPKJCCRCQU-UQPDNBCRSA-N 1 0 314.429 3.385 10 0 DGAERO CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000179462035 527763824 /nfs/dbraw/zinc/76/38/24/527763824.db2.gz MDRLUARTXYQZKH-IAGOWNOFSA-N 1 0 301.434 3.016 10 0 DGAERO CC(C)CCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195313095 527774815 /nfs/dbraw/zinc/77/48/15/527774815.db2.gz UICIEMSOXTYOAX-QGZVFWFLSA-N 1 0 316.445 3.032 10 0 DGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000328206646 527804996 /nfs/dbraw/zinc/80/49/96/527804996.db2.gz AMRGMFBBWUFPEX-NSHDSACASA-N 1 0 302.187 3.245 10 0 DGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCC12CCC2)c1ccccc1 ZINC000435581465 528237347 /nfs/dbraw/zinc/23/73/47/528237347.db2.gz YPCWWKDOQLEIJJ-KRWDZBQOSA-N 1 0 315.461 3.408 10 0 DGAERO CCCNC(=O)C1CCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000302141308 528339883 /nfs/dbraw/zinc/33/98/83/528339883.db2.gz FDYLVENSKZLQLG-UHFFFAOYSA-N 1 0 311.429 3.286 10 0 DGAERO CC1(C(=O)N2CCC23CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000444120858 528848198 /nfs/dbraw/zinc/84/81/98/528848198.db2.gz IPLQZEQRTHEYRS-UHFFFAOYSA-N 1 0 312.457 3.444 10 0 DGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000157385985 528897786 /nfs/dbraw/zinc/89/77/86/528897786.db2.gz LILSEKIVLIKKTF-STQMWFEESA-N 1 0 323.403 3.089 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[C@H](C)CC2)CC1 ZINC000443170268 528964798 /nfs/dbraw/zinc/96/47/98/528964798.db2.gz SQPDKKDJAWGYOB-DOTOQJQBSA-N 1 0 309.498 3.376 10 0 DGAERO CC(C)([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cccs1 ZINC000449142086 535250948 /nfs/dbraw/zinc/25/09/48/535250948.db2.gz NEODHEJBEBNJND-UHFFFAOYSA-N 1 0 309.456 3.177 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000466091072 535449258 /nfs/dbraw/zinc/44/92/58/535449258.db2.gz DLRDMIRGRQMEDC-RCCFBDPRSA-N 1 0 321.509 3.376 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccsn2)[C@H]1c1cccs1 ZINC000449936533 536387256 /nfs/dbraw/zinc/38/72/56/536387256.db2.gz WLGQTMOATLMRLS-RISCZKNCSA-N 1 0 321.471 3.018 10 0 DGAERO COc1ccc(F)c(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000454942550 536605275 /nfs/dbraw/zinc/60/52/75/536605275.db2.gz MXCSIRYEKGBXTO-UHFFFAOYSA-N 1 0 311.401 3.076 10 0 DGAERO CO[C@@H]1CC[C@H]([NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000471759096 536706777 /nfs/dbraw/zinc/70/67/77/536706777.db2.gz KBBWRGZMMUSPAI-ZENOOKHLSA-N 1 0 304.390 3.388 10 0 DGAERO COc1ccc(C)cc1C1(C[NH2+]C[C@H]2C[C@@H]2C)CCOCC1 ZINC000488402735 536795526 /nfs/dbraw/zinc/79/55/26/536795526.db2.gz CEOGTCOAUPGRTC-JKSUJKDBSA-N 1 0 303.446 3.297 10 0 DGAERO Fc1ccc(C[NH2+]C[C@@H]2CCCOC2)c(Br)c1 ZINC000038045964 545674830 /nfs/dbraw/zinc/67/48/30/545674830.db2.gz HNGKCKJGBSZCDP-JTQLQIEISA-N 1 0 302.187 3.104 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052034714 545691323 /nfs/dbraw/zinc/69/13/23/545691323.db2.gz WMXHANKLCBKDEW-IAGOWNOFSA-N 1 0 309.425 3.009 10 0 DGAERO OC1(C[NH2+]Cc2cnc(-c3ccccn3)s2)CCCCCC1 ZINC000084663393 545792582 /nfs/dbraw/zinc/79/25/82/545792582.db2.gz JJVJAHCXJKGYCQ-UHFFFAOYSA-N 1 0 317.458 3.380 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000085370777 545797017 /nfs/dbraw/zinc/79/70/17/545797017.db2.gz YKWISXPTWIUIKZ-JQEORGNBSA-N 1 0 301.217 3.298 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1 ZINC000087292375 545803850 /nfs/dbraw/zinc/80/38/50/545803850.db2.gz UINOBEMOQFUESU-HOCLYGCPSA-N 1 0 321.440 3.321 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000089462075 545814934 /nfs/dbraw/zinc/81/49/34/545814934.db2.gz OJNULHXVOBNUME-WCBMZHEXSA-N 1 0 304.287 3.158 10 0 DGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000091479749 545836443 /nfs/dbraw/zinc/83/64/43/545836443.db2.gz MSWGYARBOBELHM-CMPLNLGQSA-N 1 0 300.324 3.327 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000119040888 545876392 /nfs/dbraw/zinc/87/63/92/545876392.db2.gz DLUUAGMLNVMKQD-UHFFFAOYSA-N 1 0 307.482 3.223 10 0 DGAERO C[C@H]1C[C@@H]1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000127370911 545929012 /nfs/dbraw/zinc/92/90/12/545929012.db2.gz MIFWFYQIVXFJEL-YOEHRIQHSA-N 1 0 317.433 3.081 10 0 DGAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000136350242 545982040 /nfs/dbraw/zinc/98/20/40/545982040.db2.gz OFYNKDSXACSQSO-GWCFXTLKSA-N 1 0 302.340 3.256 10 0 DGAERO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178701134 546131120 /nfs/dbraw/zinc/13/11/20/546131120.db2.gz FYTBDSALNADHEM-DNVCBOLYSA-N 1 0 311.429 3.065 10 0 DGAERO CCc1nn(C)cc1C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000179959837 546140339 /nfs/dbraw/zinc/14/03/39/546140339.db2.gz YKILRMOSRURGKJ-UHFFFAOYSA-N 1 0 301.434 3.240 10 0 DGAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000180327466 546143940 /nfs/dbraw/zinc/14/39/40/546143940.db2.gz VXOTZFDSIQMGJC-YJBOKZPZSA-N 1 0 312.461 3.423 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc2ccccc2c1 ZINC000181488470 546157115 /nfs/dbraw/zinc/15/71/15/546157115.db2.gz NNBFFNLUFCPOTI-OAHLLOKOSA-N 1 0 319.408 3.202 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCCCOC1CCCCC1)c1cccs1 ZINC000182546377 546165539 /nfs/dbraw/zinc/16/55/39/546165539.db2.gz UBRYDMQQXITXIQ-CQSZACIVSA-N 1 0 324.490 3.254 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CCCOc2ccc3c(c2)OCO3)o1 ZINC000182566591 546165836 /nfs/dbraw/zinc/16/58/36/546165836.db2.gz VMPCCVZESPQAOH-CYBMUJFWSA-N 1 0 303.358 3.436 10 0 DGAERO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000182956755 546169450 /nfs/dbraw/zinc/16/94/50/546169450.db2.gz BCKLGASQAHSEKH-SSDOTTSWSA-N 1 0 312.826 3.031 10 0 DGAERO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183134623 546171524 /nfs/dbraw/zinc/17/15/24/546171524.db2.gz BUJGJMDEFXCDHB-ZQIUZPCESA-N 1 0 304.434 3.296 10 0 DGAERO O=C(NCc1ccc(C(F)F)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000185692680 546189306 /nfs/dbraw/zinc/18/93/06/546189306.db2.gz LGXWSTVHQICMJP-UHFFFAOYSA-N 1 0 323.387 3.004 10 0 DGAERO FC(F)COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000188413847 546205039 /nfs/dbraw/zinc/20/50/39/546205039.db2.gz NQRFMUZXHYWMIW-OAHLLOKOSA-N 1 0 321.371 3.192 10 0 DGAERO COc1cccc(CN[C@H](C[NH+](C)C)c2ccccc2)c1F ZINC000192662921 546235221 /nfs/dbraw/zinc/23/52/21/546235221.db2.gz AMYCLZFZHJNHMD-MRXNPFEDSA-N 1 0 302.393 3.227 10 0 DGAERO Cc1c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)ccn1C ZINC000195274078 546253814 /nfs/dbraw/zinc/25/38/14/546253814.db2.gz WNZMIKZQHRDEDZ-UHFFFAOYSA-N 1 0 324.428 3.102 10 0 DGAERO Cc1c(Br)cccc1NC(=O)C1CCC([NH3+])CC1 ZINC000225374629 546267288 /nfs/dbraw/zinc/26/72/88/546267288.db2.gz YZSUPSDIBDGKSL-UHFFFAOYSA-N 1 0 311.223 3.214 10 0 DGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000225262824 546267469 /nfs/dbraw/zinc/26/74/69/546267469.db2.gz PMEOGXBQZNFOJZ-NWDGAFQWSA-N 1 0 318.642 3.496 10 0 DGAERO OC1CCC(C[NH2+]Cc2csc(Br)c2)CC1 ZINC000227635676 546268526 /nfs/dbraw/zinc/26/85/26/546268526.db2.gz VQKOFLYWVUKAPB-UHFFFAOYSA-N 1 0 304.253 3.151 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)c(Br)c1 ZINC000229195298 546271827 /nfs/dbraw/zinc/27/18/27/546271827.db2.gz IXFHNNDQSRUDBN-HIFRSBDPSA-N 1 0 312.251 3.398 10 0 DGAERO COCc1cccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000230656131 546274654 /nfs/dbraw/zinc/27/46/54/546274654.db2.gz BPYLEVVSHRNHHO-CQSZACIVSA-N 1 0 322.449 3.226 10 0 DGAERO FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC000248566714 546318776 /nfs/dbraw/zinc/31/87/76/546318776.db2.gz PCNFWFLEUWKLLM-OLZOCXBDSA-N 1 0 314.351 3.053 10 0 DGAERO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000250396373 546328699 /nfs/dbraw/zinc/32/86/99/546328699.db2.gz ILZIBFYRQLAMHN-GOEBONIOSA-N 1 0 308.853 3.313 10 0 DGAERO Fc1ccc(/C=C\C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000254884433 546333761 /nfs/dbraw/zinc/33/37/61/546333761.db2.gz BASBQOJTUQHKLP-ZRHASKPBSA-N 1 0 318.436 3.026 10 0 DGAERO Cc1ccc(/C=C\CC(=O)N2CCC(n3ccnc3)CC2)cc1 ZINC000255162999 546334538 /nfs/dbraw/zinc/33/45/38/546334538.db2.gz GNGKVKZKHYCCIP-IHWYPQMZSA-N 1 0 309.413 3.459 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000261853506 546339028 /nfs/dbraw/zinc/33/90/28/546339028.db2.gz WBHNEUFOAJPDLD-WOJBJXKFSA-N 1 0 322.452 3.387 10 0 DGAERO C[C@H]1C[C@@H](C[NH2+]Cc2cscc2Br)CCO1 ZINC000285876248 546400182 /nfs/dbraw/zinc/40/01/82/546400182.db2.gz JGGPUHOEJLWTPQ-UWVGGRQHSA-N 1 0 304.253 3.415 10 0 DGAERO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)C1 ZINC000329701274 546490972 /nfs/dbraw/zinc/49/09/72/546490972.db2.gz HHUZFBLPAOPSIG-CTNYNGJSSA-N 1 0 319.449 3.476 10 0 DGAERO CC(C)c1scnc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333377555 546506455 /nfs/dbraw/zinc/50/64/55/546506455.db2.gz VUJYPAORGZUMHI-CYBMUJFWSA-N 1 0 322.478 3.120 10 0 DGAERO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccsc1Br ZINC000381491735 546741024 /nfs/dbraw/zinc/74/10/24/546741024.db2.gz YDTNJJKNYNHMJR-NXEZZACHSA-N 1 0 304.253 3.415 10 0 DGAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)[C@@H]2C1 ZINC000408185164 546768775 /nfs/dbraw/zinc/76/87/75/546768775.db2.gz HIMMPUDYASQSOP-CRAIPNDOSA-N 1 0 324.428 3.240 10 0 DGAERO c1ccc([C@H]2C[C@H]2[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000411425332 546772674 /nfs/dbraw/zinc/77/26/74/546772674.db2.gz MGQIGDAESFTADC-GVDBMIGSSA-N 1 0 308.429 3.418 10 0 DGAERO CCCNC(=O)C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000480015685 546909462 /nfs/dbraw/zinc/90/94/62/546909462.db2.gz NESPKDJBKUCWTH-GOSISDBHSA-N 1 0 302.462 3.294 10 0 DGAERO Cc1ccc(F)cc1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055082 548148504 /nfs/dbraw/zinc/14/85/04/548148504.db2.gz PZGNYDNNFGKKJN-HIFRSBDPSA-N 1 0 308.397 3.452 10 0 DGAERO CN1CC[C@H]([NH3+])C[C@H]1c1cc(Cl)ccc1Br ZINC000675055754 548148795 /nfs/dbraw/zinc/14/87/95/548148795.db2.gz XJSLWCGHSWHLBV-CABZTGNLSA-N 1 0 303.631 3.197 10 0 DGAERO Cc1ccccc1[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055495 548148943 /nfs/dbraw/zinc/14/89/43/548148943.db2.gz UGEMAKQNNWEWGU-KSSFIOAISA-N 1 0 304.434 3.487 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)nc2C)C12CCOCC2 ZINC000681139508 549167024 /nfs/dbraw/zinc/16/70/24/549167024.db2.gz WBUALCFBTWKHGA-KBAYOESNSA-N 1 0 318.461 3.323 10 0 DGAERO C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)CCN1Cc1ccccc1 ZINC000382660014 574527889 /nfs/dbraw/zinc/52/78/89/574527889.db2.gz PUVWETJEZZZJNS-YZGWKJHDSA-N 1 0 316.489 3.134 10 0 DGAERO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2occc21 ZINC000725242704 563525566 /nfs/dbraw/zinc/52/55/66/563525566.db2.gz LMQBRFBPMFQSAS-WMLDXEAASA-N 1 0 308.422 3.190 10 0 DGAERO C/C(=C/C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000730785851 574535864 /nfs/dbraw/zinc/53/58/64/574535864.db2.gz KPYAXVUKTNZGLL-LDBIONSASA-N 1 0 300.446 3.469 10 0 DGAERO C[C@H](CNC(=O)CC/C=C\c1ccccc1)[NH+]1CCCCC1 ZINC000737811648 574537865 /nfs/dbraw/zinc/53/78/65/574537865.db2.gz SXRUZOYTTSOZBN-HMPQKADESA-N 1 0 300.446 3.471 10 0 DGAERO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000731676336 574556319 /nfs/dbraw/zinc/55/63/19/574556319.db2.gz MOYIFKGJQMRYNB-MOPGFXCFSA-N 1 0 306.409 3.377 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccc(F)c(F)c2)C1 ZINC000675052695 563855288 /nfs/dbraw/zinc/85/52/88/563855288.db2.gz CUDZJSOKBPNEED-BXUZGUMPSA-N 1 0 312.360 3.283 10 0 DGAERO COc1cccc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675053187 563856661 /nfs/dbraw/zinc/85/66/61/563856661.db2.gz HKBGEIRANRKOPY-UKRRQHHQSA-N 1 0 306.406 3.095 10 0 DGAERO C[C@]12CC[C@@H]3c4ccc(OCC[NH3+])cc4CC[C@H]3[C@H]1CCC2=O ZINC000238850678 563879527 /nfs/dbraw/zinc/87/95/27/563879527.db2.gz CMRRRUCMFIWSCT-MLYOOKFZSA-N 1 0 313.441 3.449 10 0 DGAERO CC[N@@H+]1CCC[C@H](CNC(=O)/C=C(\C)c2cccc(F)c2)C1 ZINC000732064011 574565784 /nfs/dbraw/zinc/56/57/84/574565784.db2.gz STQNQEOUFXWHSY-YVGNARHYSA-N 1 0 304.409 3.077 10 0 DGAERO C/C(=C\C(=O)NCC1([NH+](C)C)CCCC1)c1cccc(F)c1 ZINC000732057529 574565859 /nfs/dbraw/zinc/56/58/59/574565859.db2.gz HVSBNTOARAOMSU-SDNWHVSQSA-N 1 0 304.409 3.220 10 0 DGAERO C/C(=C\C(=O)NCCn1ccnc1C(C)C)c1cccc(F)c1 ZINC000732278410 574569306 /nfs/dbraw/zinc/56/93/06/574569306.db2.gz LWOPIFWOPNNRFW-SDNWHVSQSA-N 1 0 315.392 3.365 10 0 DGAERO O=C1CCCN1CN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000733293268 574613357 /nfs/dbraw/zinc/61/33/57/574613357.db2.gz KEAYUQLVSMONDS-CQSZACIVSA-N 1 0 323.234 3.166 10 0 DGAERO CC[C@@H](NC(=S)NC[C@H]1CC[N@H+](CC)C1)c1cccs1 ZINC000734375675 574658195 /nfs/dbraw/zinc/65/81/95/574658195.db2.gz UPCFEMVWENXIGE-CHWSQXEVSA-N 1 0 311.520 3.005 10 0 DGAERO CC[C@H](NC(=S)NC[C@@H]1CC[N@H+](CC)C1)c1cccs1 ZINC000734375678 574658240 /nfs/dbraw/zinc/65/82/40/574658240.db2.gz UPCFEMVWENXIGE-STQMWFEESA-N 1 0 311.520 3.005 10 0 DGAERO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1c2ccccc2n(C)c1=O ZINC000734476541 574663819 /nfs/dbraw/zinc/66/38/19/574663819.db2.gz GMTIKMSDZIOASK-RDJZCZTQSA-N 1 0 321.424 3.176 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C)[NH2+]CCc2ccoc21 ZINC000703041156 568414085 /nfs/dbraw/zinc/41/40/85/568414085.db2.gz VLAUYDGKMDCEIT-DYVFJYSZSA-N 1 0 306.406 3.040 10 0 DGAERO C/C(=C\C(=O)NC[C@@H](C)[NH+](C)C)c1ccccc1C(F)(F)F ZINC000742043838 574980077 /nfs/dbraw/zinc/98/00/77/574980077.db2.gz BAYNVFFCNZMORM-LMMOQWNQSA-N 1 0 314.351 3.175 10 0 DGAERO C/C(=C/C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccc(F)cc1 ZINC000742372760 574993396 /nfs/dbraw/zinc/99/33/96/574993396.db2.gz VJUVDBOSKHKRCT-IFCKCIONSA-N 1 0 306.425 3.322 10 0 DGAERO C/C(=C\C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C(C)(C)C ZINC000742567748 575006597 /nfs/dbraw/zinc/00/65/97/575006597.db2.gz TZAUWOSSWMGTRA-VMEIHUARSA-N 1 0 302.462 3.268 10 0 DGAERO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000393601703 575904604 /nfs/dbraw/zinc/90/46/04/575904604.db2.gz UNEDRMPXMJHGFD-LPHOPBHVSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398155227 575960521 /nfs/dbraw/zinc/96/05/21/575960521.db2.gz ZQPOPKGGIQHJCC-MXSMSXNCSA-N 1 0 304.503 3.381 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cncs1 ZINC000398111533 575960621 /nfs/dbraw/zinc/96/06/21/575960621.db2.gz NYOKRQZPXYRHQY-WMLDXEAASA-N 1 0 301.459 3.143 10 0 DGAERO COc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000398111942 575960650 /nfs/dbraw/zinc/96/06/50/575960650.db2.gz DJEWPWOIHKCKMF-MAUKXSAKSA-N 1 0 311.429 3.413 10 0 DGAERO COc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000398111939 575960781 /nfs/dbraw/zinc/96/07/81/575960781.db2.gz DJEWPWOIHKCKMF-CRAIPNDOSA-N 1 0 311.429 3.413 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cncs1 ZINC000398111536 575960863 /nfs/dbraw/zinc/96/08/63/575960863.db2.gz NYOKRQZPXYRHQY-YOEHRIQHSA-N 1 0 301.459 3.143 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000737942109 575961646 /nfs/dbraw/zinc/96/16/46/575961646.db2.gz IBLBFHWMJCIMIY-QGZVFWFLSA-N 1 0 302.462 3.481 10 0 DGAERO CC[N@@H+]1CC[C@@H](CNC(=S)Nc2ccc(OC(C)C)cc2)C1 ZINC000726468024 576023806 /nfs/dbraw/zinc/02/38/06/576023806.db2.gz HCFCDFRNVUSWCD-AWEZNQCLSA-N 1 0 321.490 3.102 10 0 DGAERO CC[N@@H+]1CC[C@H](CNC(=S)Nc2ccc(OC(C)C)cc2)C1 ZINC000726468026 576024134 /nfs/dbraw/zinc/02/41/34/576024134.db2.gz HCFCDFRNVUSWCD-CQSZACIVSA-N 1 0 321.490 3.102 10 0 DGAERO CC(C)CNC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728444710 576182988 /nfs/dbraw/zinc/18/29/88/576182988.db2.gz CNHREHWTJMSHBL-INIZCTEOSA-N 1 0 311.539 3.105 10 0 DGAERO CC(C)(C)NC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728446618 576183032 /nfs/dbraw/zinc/18/30/32/576183032.db2.gz VZILHYATVADGIM-HNNXBMFYSA-N 1 0 311.539 3.247 10 0 DGAERO CC[C@H](C)NC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728446550 576183116 /nfs/dbraw/zinc/18/31/16/576183116.db2.gz UQNOPASTPKRYIB-JKSUJKDBSA-N 1 0 311.539 3.247 10 0 DGAERO COc1cc([C@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)ccc1F ZINC000154163452 620644200 /nfs/dbraw/zinc/64/42/00/620644200.db2.gz JCBVSZTXHFMZMZ-NSHDSACASA-N 1 0 324.396 3.104 10 0 DGAERO CC(C)[NH+]1CCN(Cc2cc(Cl)nc3ccccc23)CC1 ZINC000154582598 620689531 /nfs/dbraw/zinc/68/95/31/620689531.db2.gz ITFQRSODIMOBSB-UHFFFAOYSA-N 1 0 303.837 3.414 10 0 DGAERO CCOc1ccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000222090027 618622914 /nfs/dbraw/zinc/62/29/14/618622914.db2.gz PNKYTQZDNGQFDY-CQSZACIVSA-N 1 0 322.449 3.478 10 0 DGAERO Cc1cc(C)cc([C@@H](O)C[N@H+](C)CCC(=O)OC(C)(C)C)c1 ZINC000150899101 620403059 /nfs/dbraw/zinc/40/30/59/620403059.db2.gz FSUVCUBZRKZOLA-INIZCTEOSA-N 1 0 307.434 3.000 10 0 DGAERO Cn1nccc1C1CC[NH+](Cn2cc(-c3ccccc3)cn2)CC1 ZINC000152190127 620496369 /nfs/dbraw/zinc/49/63/69/620496369.db2.gz AAHGHHOZSWFDEA-UHFFFAOYSA-N 1 0 321.428 3.121 10 0 DGAERO CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C)c1ccncc1 ZINC000858008161 621143157 /nfs/dbraw/zinc/14/31/57/621143157.db2.gz LYYXOFFZDDENHF-YESZJQIVSA-N 1 0 314.433 3.024 10 0 DGAERO COc1ccccc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117092897 621351643 /nfs/dbraw/zinc/35/16/43/621351643.db2.gz SNRNRXYDMDPICR-MRXNPFEDSA-N 1 0 311.381 3.127 10 0 DGAERO O=C(Cc1ccoc1)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000124691674 623216407 /nfs/dbraw/zinc/21/64/07/623216407.db2.gz XNXQOPQAONLXLI-UHFFFAOYSA-N 1 0 313.397 3.278 10 0 DGAERO C[N@H+](CCCOC(=O)Cc1ccsc1)Cc1ccccc1 ZINC000129500928 625662841 /nfs/dbraw/zinc/66/28/41/625662841.db2.gz YYYDUROUVLFKRS-UHFFFAOYSA-N 1 0 303.427 3.356 10 0 DGAERO CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc1Cl ZINC000126424939 623833036 /nfs/dbraw/zinc/83/30/36/623833036.db2.gz DACKPEWGFMTJIF-BXUZGUMPSA-N 1 0 310.825 3.454 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccccc1OC ZINC000130506378 625864316 /nfs/dbraw/zinc/86/43/16/625864316.db2.gz DNDGPLFKXKPRPC-BBRMVZONSA-N 1 0 301.386 3.088 10 0 DGAERO COc1ccccc1[C@@H](O)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000130538110 625868556 /nfs/dbraw/zinc/86/85/56/625868556.db2.gz RXIOSWCIAGVUCZ-IRXDYDNUSA-N 1 0 301.361 3.145 10 0 DGAERO CSCCCC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000133582735 626816865 /nfs/dbraw/zinc/81/68/65/626816865.db2.gz QSIQYBQIVOGJCZ-NSHDSACASA-N 1 0 315.870 3.185 10 0 DGAERO Cc1nnc([C@H]2CCC[N@H+](CCOc3cccc(C)c3)[C@H]2C)o1 ZINC000886077842 627099821 /nfs/dbraw/zinc/09/98/21/627099821.db2.gz HJSDJBJDRWYTAO-YOEHRIQHSA-N 1 0 315.417 3.333 10 0 DGAERO C[C@@H]1SCC[C@@H]1[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300333627 627264525 /nfs/dbraw/zinc/26/45/25/627264525.db2.gz PXKFNZPVJMFWET-MJBXVCDLSA-N 1 0 314.495 3.117 10 0 DGAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1cccc(F)c1F ZINC000107712835 631704030 /nfs/dbraw/zinc/70/40/30/631704030.db2.gz AEXQIXGNDUQNKQ-UHFFFAOYSA-N 1 0 314.376 3.358 10 0 DGAERO CCN(CC)C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000108647187 631913897 /nfs/dbraw/zinc/91/38/97/631913897.db2.gz VVHSXSQPDJIJDL-UHFFFAOYSA-N 1 0 320.433 3.392 10 0 DGAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCOC1CCCC1 ZINC000108942678 631990312 /nfs/dbraw/zinc/99/03/12/631990312.db2.gz OXYPXOMTEQVUHE-CQSZACIVSA-N 1 0 305.418 3.285 10 0 DGAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000109502282 632210654 /nfs/dbraw/zinc/21/06/54/632210654.db2.gz VMCGJBYWRYTNAU-LBPRGKRZSA-N 1 0 314.216 3.493 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000184939968 660196236 /nfs/dbraw/zinc/19/62/36/660196236.db2.gz RQDPJGQJOPIIII-JTQLQIEISA-N 1 0 307.825 3.289 10 0 DGAERO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000185202972 660207106 /nfs/dbraw/zinc/20/71/06/660207106.db2.gz JHXIGELSRQHZDF-GFCCVEGCSA-N 1 0 318.804 3.126 10 0 DGAERO C[C@@H](NCc1cscn1)c1ccc(Br)cc1O ZINC000185246710 660211480 /nfs/dbraw/zinc/21/14/80/660211480.db2.gz VEVJWNJUPGSPKU-MRVPVSSYSA-N 1 0 313.220 3.462 10 0 DGAERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000072897133 660226974 /nfs/dbraw/zinc/22/69/74/660226974.db2.gz RSXADFLHXWGZHU-HOTGVXAUSA-N 1 0 315.461 3.346 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+]([C@H]3C=CCCC3)C[C@H]12 ZINC000186008662 660259852 /nfs/dbraw/zinc/25/98/52/660259852.db2.gz SCFSNJISBSUGFI-FXUDXRNXSA-N 1 0 306.450 3.330 10 0 DGAERO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCCN1CCOC1=O ZINC000186150036 660270551 /nfs/dbraw/zinc/27/05/51/660270551.db2.gz ILHHTQCUUAWAAD-MRXNPFEDSA-N 1 0 302.418 3.113 10 0 DGAERO COC1CC(C[N@H+](C)Cc2ccc(Br)c(F)c2)C1 ZINC000721960494 660470216 /nfs/dbraw/zinc/47/02/16/660470216.db2.gz YOLNASOXYDBQBQ-UHFFFAOYSA-N 1 0 316.214 3.445 10 0 DGAERO CCc1ccc(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)o1 ZINC000701863046 660690433 /nfs/dbraw/zinc/69/04/33/660690433.db2.gz CPCNEICJIHTGNX-UHFFFAOYSA-N 1 0 320.433 3.331 10 0 DGAERO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000701918395 660691498 /nfs/dbraw/zinc/69/14/98/660691498.db2.gz FEXNSSANNBPIAR-AGIUHOORSA-N 1 0 302.484 3.116 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000701935031 660693190 /nfs/dbraw/zinc/69/31/90/660693190.db2.gz LTNSCQCBWKXMDA-YNEHKIRRSA-N 1 0 318.408 3.315 10 0 DGAERO O[C@@H](C[NH2+]CC[C@H]1CC1(F)F)c1cccc(Br)c1 ZINC000701954737 660693418 /nfs/dbraw/zinc/69/34/18/660693418.db2.gz GMADNGZDOPAGRF-JQWIXIFHSA-N 1 0 320.177 3.117 10 0 DGAERO C[C@H](F)CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000702639721 660732709 /nfs/dbraw/zinc/73/27/09/660732709.db2.gz XHMMVCKFMRMRCI-GBJTYRQASA-N 1 0 314.445 3.360 10 0 DGAERO CCc1nnc(C[NH2+]C[C@@H](C)COCc2ccccc2)s1 ZINC000702710450 660736649 /nfs/dbraw/zinc/73/66/49/660736649.db2.gz GIHPIUPPYYLCJK-CYBMUJFWSA-N 1 0 305.447 3.043 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)CO[C@H]1C ZINC000702902683 660747042 /nfs/dbraw/zinc/74/70/42/660747042.db2.gz CWTAUWMFTUDYOA-BQFCYCMXSA-N 1 0 303.446 3.387 10 0 DGAERO COC1CC(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000703888327 660795436 /nfs/dbraw/zinc/79/54/36/660795436.db2.gz BPKKRDFHAHVLPF-CTWPCTMYSA-N 1 0 316.489 3.302 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+]C[C@@H]2CCSC2)CCN1C(=O)OC(C)(C)C ZINC000704620004 660813689 /nfs/dbraw/zinc/81/36/89/660813689.db2.gz HOZHKZGUDKOBQC-MELADBBJSA-N 1 0 314.495 3.117 10 0 DGAERO Oc1ccc(Br)c(C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000704865862 660822958 /nfs/dbraw/zinc/82/29/58/660822958.db2.gz HZIPPGSPYQSGHE-SNVBAGLBSA-N 1 0 316.264 3.388 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000706555189 660864761 /nfs/dbraw/zinc/86/47/61/660864761.db2.gz HTJYTOKDNMSAOT-YNEHKIRRSA-N 1 0 318.408 3.457 10 0 DGAERO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCCSCC1 ZINC000706554477 660864934 /nfs/dbraw/zinc/86/49/34/660864934.db2.gz GJOBMCBBCFCMDH-OLZOCXBDSA-N 1 0 302.484 3.117 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@@H]1CCCC13CC3)C2 ZINC000706530435 660864943 /nfs/dbraw/zinc/86/49/43/660864943.db2.gz RBMPAKVQBUBUNS-TXKKKEFDSA-N 1 0 306.450 3.308 10 0 DGAERO C[C@H]([NH2+]Cc1c(Br)cnn1C)[C@]12C[C@H]1CCCC2 ZINC000709146867 660924074 /nfs/dbraw/zinc/92/40/74/660924074.db2.gz HFZRBXZTRAJGFV-WDMOLILDSA-N 1 0 312.255 3.241 10 0 DGAERO CN(CCC[NH2+][C@@H]1CCCSCC1)C(=O)OC(C)(C)C ZINC000709560442 660929599 /nfs/dbraw/zinc/92/95/99/660929599.db2.gz HJWPKTDRFSLSMZ-CYBMUJFWSA-N 1 0 302.484 3.119 10 0 DGAERO Brc1ccsc1C[NH2+]CCc1ccns1 ZINC000709790555 660930423 /nfs/dbraw/zinc/93/04/23/660930423.db2.gz KUKNJZZWGBJFBN-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO C[C@@H](c1ccccc1Cl)N1CCc2sc(C[NH3+])nc2C1 ZINC000710240998 660932850 /nfs/dbraw/zinc/93/28/50/660932850.db2.gz SGNIOPXLHZJALB-JTQLQIEISA-N 1 0 307.850 3.375 10 0 DGAERO Cc1cc(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)ccc1Br ZINC000711353668 660948313 /nfs/dbraw/zinc/94/83/13/660948313.db2.gz LERXIFIONSAUCU-HIFRSBDPSA-N 1 0 323.234 3.228 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2COc3ccccc32)C1 ZINC000711389067 660949368 /nfs/dbraw/zinc/94/93/68/660949368.db2.gz DSBNDOVFXCCMDG-VNHYZAJKSA-N 1 0 318.417 3.013 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2([NH2+]Cc2cscn2)C1 ZINC000711385670 660949428 /nfs/dbraw/zinc/94/94/28/660949428.db2.gz QWZJYLUOIWHWKD-LRDDRELGSA-N 1 0 323.462 3.022 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000711404371 660949965 /nfs/dbraw/zinc/94/99/65/660949965.db2.gz LJQNUMBGWDHTSP-OTTFEQOBSA-N 1 0 318.408 3.315 10 0 DGAERO Cc1ccccc1CC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711437038 660952325 /nfs/dbraw/zinc/95/23/25/660952325.db2.gz DPKAKEXJMJGHTC-UHFFFAOYSA-N 1 0 318.461 3.430 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2COC3(CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000711201201 660941563 /nfs/dbraw/zinc/94/15/63/660941563.db2.gz KINRQRVNTBZQBN-RBSFLKMASA-N 1 0 324.465 3.076 10 0 DGAERO CC(C)SCC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711485875 660955219 /nfs/dbraw/zinc/95/52/19/660955219.db2.gz QHNLNZYDSGJKGL-UHFFFAOYSA-N 1 0 302.484 3.021 10 0 DGAERO O=C(/C=C\c1ccc(Cl)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000255000443 655557131 /nfs/dbraw/zinc/55/71/31/655557131.db2.gz OCXQRRNZWOTYNQ-CXOKCQFOSA-N 1 0 304.821 3.050 10 0 DGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C\c2ccccc2Cl)C1 ZINC000255134300 655608663 /nfs/dbraw/zinc/60/86/63/655608663.db2.gz RKKHLHOFTIXRFI-KUBOQAQJSA-N 1 0 318.848 3.296 10 0 DGAERO Clc1ccc(SCc2noc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000090244264 655674418 /nfs/dbraw/zinc/67/44/18/655674418.db2.gz DRSWEUHIBUDCQZ-SNVBAGLBSA-N 1 0 309.822 3.482 10 0 DGAERO C[C@@H]1CCC[N@H+](CCNC(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000255335067 655702544 /nfs/dbraw/zinc/70/25/44/655702544.db2.gz IXBONCDLAJLMSS-HLRDLLSLSA-N 1 0 323.440 3.096 10 0 DGAERO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723645932 655711327 /nfs/dbraw/zinc/71/13/27/655711327.db2.gz ZDMHDMBVAQGKIG-BTHPGYMESA-N 1 0 316.489 3.302 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccnc(Cl)c1 ZINC000255376624 655720655 /nfs/dbraw/zinc/72/06/55/655720655.db2.gz GLAZNQPYVMMFAG-IDTUSYRASA-N 1 0 321.852 3.129 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccnc(Cl)c1 ZINC000255376627 655720698 /nfs/dbraw/zinc/72/06/98/655720698.db2.gz GLAZNQPYVMMFAG-XHPSBEMXSA-N 1 0 321.852 3.129 10 0 DGAERO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(F)cc1Cl ZINC000723848830 655724623 /nfs/dbraw/zinc/72/46/23/655724623.db2.gz ZVEFAJLYXHNMFV-SNVBAGLBSA-N 1 0 321.845 3.201 10 0 DGAERO Brc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)o1 ZINC000723978738 655732196 /nfs/dbraw/zinc/73/21/96/655732196.db2.gz RZBGWLIXZBFKBK-FZMZJTMJSA-N 1 0 314.223 3.337 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccc(Br)cn1)[C@H]1CCCOC1 ZINC000724005954 655735328 /nfs/dbraw/zinc/73/53/28/655735328.db2.gz BFFRMRKCADPXOB-SMDDNHRTSA-N 1 0 313.239 3.139 10 0 DGAERO C[N@H+](CCCOc1ccccc1)C[C@H](O)c1cc(F)ccc1F ZINC000051347369 655736065 /nfs/dbraw/zinc/73/60/65/655736065.db2.gz KUMUXJVHLNPSJB-SFHVURJKSA-N 1 0 321.367 3.399 10 0 DGAERO CC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCCOC1 ZINC000724010398 655736138 /nfs/dbraw/zinc/73/61/38/655736138.db2.gz OPUAGNRUNVDVFV-ZIAGYGMSSA-N 1 0 314.470 3.085 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccncc1Br)[C@H]1CCCOC1 ZINC000724012812 655736346 /nfs/dbraw/zinc/73/63/46/655736346.db2.gz QCPINWMOPVWBHK-GXTWGEPZSA-N 1 0 313.239 3.139 10 0 DGAERO CC(C)C[C@@H]([NH3+])Cc1nc(-c2ccc(Br)cc2)no1 ZINC000132154559 655736948 /nfs/dbraw/zinc/73/69/48/655736948.db2.gz UJCVOSSBCRSZQD-GFCCVEGCSA-N 1 0 324.222 3.415 10 0 DGAERO CC(C)(C)OCC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724094595 655741522 /nfs/dbraw/zinc/74/15/22/655741522.db2.gz ZZBXDILVFCOBIV-ZIAGYGMSSA-N 1 0 314.470 3.085 10 0 DGAERO C[C@](O)(C[NH2+]C[C@@H]1CCCC12CC2)C(F)(F)C(F)(F)F ZINC000724112565 655742933 /nfs/dbraw/zinc/74/29/33/655742933.db2.gz YRAXHJIJDGSNFN-UWVGGRQHSA-N 1 0 301.299 3.105 10 0 DGAERO COC(OC)[C@H](C)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000234595587 655745070 /nfs/dbraw/zinc/74/50/70/655745070.db2.gz AWMHXDJDPASETD-QMMMGPOBSA-N 1 0 322.630 3.200 10 0 DGAERO COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724122383 655745586 /nfs/dbraw/zinc/74/55/86/655745586.db2.gz SRLGGRYOBYEEIJ-OCCSQVGLSA-N 1 0 314.223 3.067 10 0 DGAERO COC1CC([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000234700209 655747845 /nfs/dbraw/zinc/74/78/45/655747845.db2.gz NBDYDFJBUDXIFR-UHFFFAOYSA-N 1 0 304.615 3.370 10 0 DGAERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)s1 ZINC000724342756 655756007 /nfs/dbraw/zinc/75/60/07/655756007.db2.gz DFPDPBKVJZOEMD-OFLUOSHYSA-N 1 0 319.879 3.160 10 0 DGAERO CCOc1ccccc1C[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000051426367 655762676 /nfs/dbraw/zinc/76/26/76/655762676.db2.gz LBZUVLXVARCDQE-KRWDZBQOSA-N 1 0 303.377 3.390 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)ccc1Cl ZINC000724617403 655794749 /nfs/dbraw/zinc/79/47/49/655794749.db2.gz FCJQWMGGKSNEMM-FCIGDQIPSA-N 1 0 316.228 3.448 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(Cl)c1 ZINC000724620645 655795655 /nfs/dbraw/zinc/79/56/55/655795655.db2.gz JZAMBHQOIIFBST-CGEWXTDFSA-N 1 0 316.228 3.448 10 0 DGAERO C[C@H](CC[NH2+]Cc1cn(C)nc1Br)c1ccccc1 ZINC000712408363 661188206 /nfs/dbraw/zinc/18/82/06/661188206.db2.gz YXNRTMFKPWYJAA-GFCCVEGCSA-N 1 0 322.250 3.466 10 0 DGAERO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)c(Br)n1 ZINC000712452315 661188730 /nfs/dbraw/zinc/18/87/30/661188730.db2.gz UZPFDEAOUSKPFJ-QWHCGFSZSA-N 1 0 312.255 3.241 10 0 DGAERO Cn1cc(C[NH2+][C@@H](C2CC2)C(C)(C)C)c(Br)n1 ZINC000712494726 661189090 /nfs/dbraw/zinc/18/90/90/661189090.db2.gz AWEPHWFAQYOBKI-NSHDSACASA-N 1 0 300.244 3.097 10 0 DGAERO Cn1cc(C[NH2+]CCC(C)(C)C2CC2)c(Br)n1 ZINC000712477133 661189110 /nfs/dbraw/zinc/18/91/10/661189110.db2.gz RWDWUKXGJNGSEI-UHFFFAOYSA-N 1 0 300.244 3.099 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000712653715 661189425 /nfs/dbraw/zinc/18/94/25/661189425.db2.gz IVPCYRFPVNCABT-BJJXKVORSA-N 1 0 308.466 3.268 10 0 DGAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000713010888 661189830 /nfs/dbraw/zinc/18/98/30/661189830.db2.gz XBRUDZLNMYYJRI-LBPRGKRZSA-N 1 0 302.871 3.369 10 0 DGAERO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CCO1 ZINC000721527495 655815982 /nfs/dbraw/zinc/81/59/82/655815982.db2.gz HBVSESNVVKYKHE-QRVBRYPASA-N 1 0 316.489 3.444 10 0 DGAERO C[C@H]1CSC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713079120 661190232 /nfs/dbraw/zinc/19/02/32/661190232.db2.gz XYJPCTQGMXPRDC-WPRPVWTQSA-N 1 0 306.294 3.394 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]CCc2sccc2Br)[C@@H](C)O1 ZINC000713114950 661190262 /nfs/dbraw/zinc/19/02/62/661190262.db2.gz BOLCHFWSHLYBKQ-FXPVBKGRSA-N 1 0 304.253 3.209 10 0 DGAERO C=Cn1cc(C[NH2+]CCc2sccc2Br)cn1 ZINC000713104954 661190282 /nfs/dbraw/zinc/19/02/82/661190282.db2.gz OOPCRVSARLIGIT-UHFFFAOYSA-N 1 0 312.236 3.140 10 0 DGAERO C=C/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000713499746 661191071 /nfs/dbraw/zinc/19/10/71/661191071.db2.gz UHJFCCBACSYFSL-WXQONUEMSA-N 1 0 306.450 3.496 10 0 DGAERO OC1CC2(C[C@H]2[NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000724917598 655829075 /nfs/dbraw/zinc/82/90/75/655829075.db2.gz JDHGBZJPXNTVPA-BKDHPRRPSA-N 1 0 316.626 3.106 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ncc(Br)s2)C1(C)C ZINC000713622656 661192702 /nfs/dbraw/zinc/19/27/02/661192702.db2.gz GUMDMFDJXMXNJP-DTWKUNHWSA-N 1 0 319.268 3.199 10 0 DGAERO COCC1CC([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000713930798 661195030 /nfs/dbraw/zinc/19/50/30/661195030.db2.gz NYGOOEIZXKKYTA-UHFFFAOYSA-N 1 0 320.177 3.242 10 0 DGAERO CSCc1ccc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)cc1 ZINC000725123528 655861356 /nfs/dbraw/zinc/86/13/56/655861356.db2.gz OAVCBKYOIMDDMH-AWEZNQCLSA-N 1 0 309.475 3.428 10 0 DGAERO COCC1CC([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000713970128 661195740 /nfs/dbraw/zinc/19/57/40/661195740.db2.gz ARJSYWWWEQLRIH-UHFFFAOYSA-N 1 0 314.470 3.037 10 0 DGAERO CC[N@@H+](Cc1ccc(SC(=O)N(C)C)cc1)C[C@H]1CCCO1 ZINC000176928631 655870093 /nfs/dbraw/zinc/87/00/93/655870093.db2.gz AETJPEJWWPZPOY-OAHLLOKOSA-N 1 0 322.474 3.461 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Cl)ccc1Cl ZINC000714250475 661198042 /nfs/dbraw/zinc/19/80/42/661198042.db2.gz NGPDNCGGAVCOCY-LSJOCFKGSA-N 1 0 322.257 3.220 10 0 DGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714362390 661198736 /nfs/dbraw/zinc/19/87/36/661198736.db2.gz XTQNTUKPYNYHGF-QKPAOTATSA-N 1 0 301.496 3.004 10 0 DGAERO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCS2(=O)=O)C1 ZINC000714361077 661198880 /nfs/dbraw/zinc/19/88/80/661198880.db2.gz OTPTZGCSMLJAFI-HRCADAONSA-N 1 0 301.496 3.148 10 0 DGAERO COc1ccc(CN(CCC[NH3+])CC(F)(F)F)cc1Cl ZINC000714374724 661199357 /nfs/dbraw/zinc/19/93/57/661199357.db2.gz NWIYLKABJYNWHZ-UHFFFAOYSA-N 1 0 310.747 3.062 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1csc(Cl)c1 ZINC000714377255 661199360 /nfs/dbraw/zinc/19/93/60/661199360.db2.gz UNBXZLWJZPDXRY-GXSJLCMTSA-N 1 0 307.868 3.019 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1Cl ZINC000714368369 661199403 /nfs/dbraw/zinc/19/94/03/661199403.db2.gz YSFHRBCPISCESR-JQWIXIFHSA-N 1 0 319.829 3.097 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000714588912 661199904 /nfs/dbraw/zinc/19/99/04/661199904.db2.gz RSXVGHPVUUQHIU-MJHDQNEOSA-N 1 0 302.187 3.103 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000714457098 661200555 /nfs/dbraw/zinc/20/05/55/661200555.db2.gz BWCMRQHUROUWFQ-RWSFTLGLSA-N 1 0 310.235 3.451 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000714460572 661201264 /nfs/dbraw/zinc/20/12/64/661201264.db2.gz TYKCDEKMZDBKDH-GSJFWJNXSA-N 1 0 302.187 3.103 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]Cc2cc(Br)c(C)s2)C1 ZINC000714704630 661202302 /nfs/dbraw/zinc/20/23/02/661202302.db2.gz IPBREXHPMHBUHV-MGCOHNPYSA-N 1 0 304.253 3.334 10 0 DGAERO Cc1nc(NCc2ccc(CC[NH3+])cc2)ccc1Br ZINC000235953165 655936692 /nfs/dbraw/zinc/93/66/92/655936692.db2.gz INEOYUXUKKWQQS-UHFFFAOYSA-N 1 0 320.234 3.266 10 0 DGAERO O=C(/C=C\c1ccc(Cl)s1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715053541 661207835 /nfs/dbraw/zinc/20/78/35/661207835.db2.gz JDCBFSKGVBVEDZ-FJYXQWIHSA-N 1 0 310.850 3.015 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CCCS1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000715645179 661213839 /nfs/dbraw/zinc/21/38/39/661213839.db2.gz VMXIIWYHTTXRTF-JSGCOSHPSA-N 1 0 314.495 3.117 10 0 DGAERO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1cncnc1)c1cccs1 ZINC000180508505 655966558 /nfs/dbraw/zinc/96/65/58/655966558.db2.gz LTVACBJPLXWCBT-HZPDHXFCSA-N 1 0 317.458 3.406 10 0 DGAERO C[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000715203002 661209010 /nfs/dbraw/zinc/20/90/10/661209010.db2.gz OHDIAADPQIHDAA-RASWFIQWSA-N 1 0 323.170 3.011 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000327878255 656007517 /nfs/dbraw/zinc/00/75/17/656007517.db2.gz LGIKVGSFLZMLCL-CJNGLKHVSA-N 1 0 314.495 3.119 10 0 DGAERO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@]1(C)CCCS1)C1CC1 ZINC000327906037 656008777 /nfs/dbraw/zinc/00/87/77/656008777.db2.gz PZNUGXVHXADNND-BBRMVZONSA-N 1 0 314.495 3.165 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCCS1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000715645178 661213502 /nfs/dbraw/zinc/21/35/02/661213502.db2.gz VMXIIWYHTTXRTF-GXTWGEPZSA-N 1 0 314.495 3.117 10 0 DGAERO C[C@@H]([NH2+]CC[C@H]1CCCS1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000715645183 661213708 /nfs/dbraw/zinc/21/37/08/661213708.db2.gz VMXIIWYHTTXRTF-TZMCWYRMSA-N 1 0 314.495 3.117 10 0 DGAERO Brc1ccc(C[NH2+]CC[C@H]2CCCS2)nc1 ZINC000715867389 661215041 /nfs/dbraw/zinc/21/50/41/661215041.db2.gz YSSJFHSZQZRVJJ-GFCCVEGCSA-N 1 0 301.253 3.219 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccccn1 ZINC000173343409 656050928 /nfs/dbraw/zinc/05/09/28/656050928.db2.gz WQDDJDDWMACUDA-SQWLQELKSA-N 1 0 319.449 3.426 10 0 DGAERO COC(OC)[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000309779064 656054872 /nfs/dbraw/zinc/05/48/72/656054872.db2.gz DGYRJYQXFAIORB-OAHLLOKOSA-N 1 0 315.413 3.363 10 0 DGAERO O[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)c1ccsc1 ZINC000716161622 661219317 /nfs/dbraw/zinc/21/93/17/661219317.db2.gz MCXAOIZXHBDZSA-OFLPRAFFSA-N 1 0 303.427 3.119 10 0 DGAERO c1ccc(CN2CC[C@@H]2C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000716276133 661220599 /nfs/dbraw/zinc/22/05/99/661220599.db2.gz HJNKOSOLKPIYCT-RBUKOAKNSA-N 1 0 314.473 3.342 10 0 DGAERO C[C@@](O)(C[NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1 ZINC000716280188 661220685 /nfs/dbraw/zinc/22/06/85/661220685.db2.gz BLOZGEDDJQVEBE-SOAGJPPSSA-N 1 0 311.425 3.232 10 0 DGAERO C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000716527272 661224402 /nfs/dbraw/zinc/22/44/02/661224402.db2.gz MSAJGSYOSBFCQR-SNVBAGLBSA-N 1 0 315.244 3.040 10 0 DGAERO CSc1ccc(Cl)c(C(=O)N[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000716567936 661224530 /nfs/dbraw/zinc/22/45/30/661224530.db2.gz SXSXHMDOLXSXCL-JTQLQIEISA-N 1 0 312.866 3.180 10 0 DGAERO Cc1n[nH]c(C[NH2+]Cc2ccc(C)c(Br)c2)c1C ZINC000716483464 661224641 /nfs/dbraw/zinc/22/46/41/661224641.db2.gz OJJJSCSTSQVBHA-UHFFFAOYSA-N 1 0 308.223 3.387 10 0 DGAERO CCc1nn(C)cc1N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716671371 661226295 /nfs/dbraw/zinc/22/62/95/661226295.db2.gz QWGXYYCHZIDWDU-KSZLIROESA-N 1 0 324.472 3.448 10 0 DGAERO CC(C)C[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000185041665 656122792 /nfs/dbraw/zinc/12/27/92/656122792.db2.gz ORHWVBSQEOGPCR-HNNXBMFYSA-N 1 0 303.450 3.059 10 0 DGAERO C[C@H](C[NH2+]Cc1ccc(Cl)o1)N(C)C(=O)OC(C)(C)C ZINC000309859988 656123141 /nfs/dbraw/zinc/12/31/41/656123141.db2.gz HMOHCSVMXQZKJG-SNVBAGLBSA-N 1 0 302.802 3.278 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCCSC1 ZINC000310001242 656129611 /nfs/dbraw/zinc/12/96/11/656129611.db2.gz QIIVGYNYRCKIOM-ZIAGYGMSSA-N 1 0 314.495 3.119 10 0 DGAERO Clc1ccc(CC[NH2+]Cc2nc(Br)c[nH]2)cc1 ZINC000310377504 656144377 /nfs/dbraw/zinc/14/43/77/656144377.db2.gz ZYEKICZZGQFNHR-UHFFFAOYSA-N 1 0 314.614 3.158 10 0 DGAERO C[C@H](OC(=O)[C@@H]1CCCN1Cc1ccccc1)C1CCOCC1 ZINC000091868231 656149270 /nfs/dbraw/zinc/14/92/70/656149270.db2.gz OPGQFGNNTYLKOK-YJBOKZPZSA-N 1 0 317.429 3.009 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(Br)cc1F ZINC000716886318 661230144 /nfs/dbraw/zinc/23/01/44/661230144.db2.gz PPOLGQICFOEVPB-SKDRFNHKSA-N 1 0 304.203 3.227 10 0 DGAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000716968679 661236497 /nfs/dbraw/zinc/23/64/97/661236497.db2.gz KFFHOFODPWEXBV-WPRPVWTQSA-N 1 0 322.193 3.366 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000236705653 656215126 /nfs/dbraw/zinc/21/51/26/656215126.db2.gz HCYMLHMSBMCKQB-WJDWOHSUSA-N 1 0 304.397 3.460 10 0 DGAERO [NH3+]C[C@H](NC(=O)c1cscc1C(F)F)C1CCCCC1 ZINC000717241191 661259252 /nfs/dbraw/zinc/25/92/52/661259252.db2.gz IEZBAKHDNLDHGN-LBPRGKRZSA-N 1 0 302.390 3.323 10 0 DGAERO CC1(C)CO[C@H](CC[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000717347098 661262100 /nfs/dbraw/zinc/26/21/00/661262100.db2.gz PAMHNEMYHJJYBZ-GOSISDBHSA-N 1 0 313.445 3.226 10 0 DGAERO CC1(C)CO[C@@H](CC[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000717343057 661262285 /nfs/dbraw/zinc/26/22/85/661262285.db2.gz IGIYVRAMUGBBMG-IBGZPJMESA-N 1 0 316.489 3.446 10 0 DGAERO Cc1sc(C[NH2+][C@H](CO)C2CCC2)cc1Br ZINC000717595468 661265511 /nfs/dbraw/zinc/26/55/11/661265511.db2.gz SUCUDCAAMCXXQI-GFCCVEGCSA-N 1 0 304.253 3.070 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cccnc1 ZINC000723831899 656501273 /nfs/dbraw/zinc/50/12/73/656501273.db2.gz FZGOSFCBDWTPGY-IIAWOOMASA-N 1 0 319.449 3.235 10 0 DGAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC000724106666 656509982 /nfs/dbraw/zinc/50/99/82/656509982.db2.gz ASRXKGJASDFFJY-UPJWGTAASA-N 1 0 318.408 3.457 10 0 DGAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c2ccsc2S1 ZINC000724597891 656522020 /nfs/dbraw/zinc/52/20/20/656522020.db2.gz DEDQWEFHFVUOPX-WTNWGCMGSA-N 1 0 311.472 3.067 10 0 DGAERO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094374949 656576860 /nfs/dbraw/zinc/57/68/60/656576860.db2.gz NKXMLAMYJXKTPG-SMDDNHRTSA-N 1 0 310.463 3.387 10 0 DGAERO COC[C@@H](C)CNc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000187597922 656605513 /nfs/dbraw/zinc/60/55/13/656605513.db2.gz BYUFFBXIMHGCGB-INIZCTEOSA-N 1 0 319.493 3.159 10 0 DGAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1C ZINC000227687034 656843804 /nfs/dbraw/zinc/84/38/04/656843804.db2.gz XSKZOWAOBGEYNC-RYUDHWBXSA-N 1 0 324.469 3.084 10 0 DGAERO C[C@@H](O)CCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000228035447 656848585 /nfs/dbraw/zinc/84/85/85/656848585.db2.gz BGXURUPYDZRMAF-ZWNOBZJWSA-N 1 0 314.223 3.023 10 0 DGAERO CCCc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247286111 657014523 /nfs/dbraw/zinc/01/45/23/657014523.db2.gz YWVMSIYYMWHNFI-PBHICJAKSA-N 1 0 301.434 3.340 10 0 DGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000178865616 657092512 /nfs/dbraw/zinc/09/25/12/657092512.db2.gz OGXFIVNZYMVMIB-RDTXWAMCSA-N 1 0 311.429 3.179 10 0 DGAERO Cc1ccc(C(=O)CCc2nc(C3([NH3+])CCCC3)no2)cc1C ZINC000261828653 657118597 /nfs/dbraw/zinc/11/85/97/657118597.db2.gz RCYFKWRURUHKMR-UHFFFAOYSA-N 1 0 313.401 3.230 10 0 DGAERO COc1cc(C)c(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1OC ZINC000261971145 657268651 /nfs/dbraw/zinc/26/86/51/657268651.db2.gz ZBHDBHPHGYUYMU-AWEZNQCLSA-N 1 0 320.433 3.248 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000721802263 657387243 /nfs/dbraw/zinc/38/72/43/657387243.db2.gz ASTATMVRYDKFTQ-SECBINFHSA-N 1 0 304.253 3.103 10 0 DGAERO C[N@@H+](Cc1cc(Cl)nc2ccccc12)C[C@@H]1CCC[C@H]1O ZINC000249279997 657394340 /nfs/dbraw/zinc/39/43/40/657394340.db2.gz NBEDORJMRYSLOK-BLLLJJGKSA-N 1 0 304.821 3.481 10 0 DGAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000250215009 657455710 /nfs/dbraw/zinc/45/57/10/657455710.db2.gz SMWIMVZVIUVCHM-RBUKOAKNSA-N 1 0 311.425 3.436 10 0 DGAERO CO[C@H]1C[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)CC[C@@H]1C ZINC000251628475 657526270 /nfs/dbraw/zinc/52/62/70/657526270.db2.gz GUEFMKHPZBVTLK-SGTLLEGYSA-N 1 0 315.413 3.267 10 0 DGAERO CO[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1C ZINC000251700217 657528908 /nfs/dbraw/zinc/52/89/08/657528908.db2.gz JYDGVASBEGTJRE-VCTAVGKDSA-N 1 0 318.244 3.384 10 0 DGAERO C/C=C\CC(=O)NC[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000096845232 657558714 /nfs/dbraw/zinc/55/87/14/657558714.db2.gz BYTBKSPNSXHAPX-YPQKKHBXSA-N 1 0 323.440 3.139 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000127276564 657723388 /nfs/dbraw/zinc/72/33/88/657723388.db2.gz KOMGJIOCNFOBSC-AWEZNQCLSA-N 1 0 317.820 3.102 10 0 DGAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cn(C)nc1Br ZINC000720644700 658053602 /nfs/dbraw/zinc/05/36/02/658053602.db2.gz DHXVEGVCKMDHMJ-NXEZZACHSA-N 1 0 300.244 3.097 10 0 DGAERO C[C@@H]([NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[C@H]1C ZINC000321175386 658092058 /nfs/dbraw/zinc/09/20/58/658092058.db2.gz YWUOJDTYWJSRPV-KBXIAJHMSA-N 1 0 308.466 3.410 10 0 DGAERO [NH3+]C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000720846497 658148645 /nfs/dbraw/zinc/14/86/45/658148645.db2.gz VOSIOLDNMAPBEE-ZJUUUORDSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2F)C[C@@H]1C(F)(F)F ZINC000720844262 658148682 /nfs/dbraw/zinc/14/86/82/658148682.db2.gz LJSNBHIBBFSAKJ-ONGXEEELSA-N 1 0 310.722 3.048 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C1(C)CC(F)(F)C1 ZINC000720901852 658231637 /nfs/dbraw/zinc/23/16/37/658231637.db2.gz UZXFGKCXFFPGKQ-LLVKDONJSA-N 1 0 304.381 3.163 10 0 DGAERO CC1(C[NH2+]Cc2cnn(Cc3ccccc3)c2)CC(F)(F)C1 ZINC000720959436 658255421 /nfs/dbraw/zinc/25/54/21/658255421.db2.gz AKESMRDHWDXKIZ-UHFFFAOYSA-N 1 0 305.372 3.456 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+]CC2(C)CC(F)(F)C2)C1 ZINC000720978363 658278824 /nfs/dbraw/zinc/27/88/24/658278824.db2.gz UENVWRKNWAATQO-UHFFFAOYSA-N 1 0 304.381 3.067 10 0 DGAERO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000721871053 658307324 /nfs/dbraw/zinc/30/73/24/658307324.db2.gz BAQHQGARAANEMC-LLVKDONJSA-N 1 0 316.214 3.181 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000721871056 658307493 /nfs/dbraw/zinc/30/74/93/658307493.db2.gz BAQHQGARAANEMC-NSHDSACASA-N 1 0 316.214 3.181 10 0 DGAERO Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721874311 658319025 /nfs/dbraw/zinc/31/90/25/658319025.db2.gz QNDQAOKAXMTMGX-OAHLLOKOSA-N 1 0 319.449 3.125 10 0 DGAERO C[C@@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCCN1Cc1ccccc1 ZINC000353671904 658336515 /nfs/dbraw/zinc/33/65/15/658336515.db2.gz MJBREAJKXRTDDG-ICSRJNTNSA-N 1 0 324.472 3.431 10 0 DGAERO CCO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000721193139 658646105 /nfs/dbraw/zinc/64/61/05/658646105.db2.gz GEGUVPMPBBGACE-QLFBSQMISA-N 1 0 314.470 3.227 10 0 DGAERO Cc1ccccc1[C@H]1CCC[N@@H+]1CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000054566163 658653769 /nfs/dbraw/zinc/65/37/69/658653769.db2.gz XGIWYBLHXYGBGW-FGTMMUONSA-N 1 0 324.424 3.041 10 0 DGAERO C[C@@H](NC(=O)CC(C)(C)C[NH3+])c1ccccc1Br ZINC000721264548 658771343 /nfs/dbraw/zinc/77/13/43/658771343.db2.gz ADLKMBKAOKZKGI-SNVBAGLBSA-N 1 0 313.239 3.001 10 0 DGAERO C[N@H+](CCc1ccc(F)cc1)C[C@@H](O)c1c(F)cccc1F ZINC000055025113 658909294 /nfs/dbraw/zinc/90/92/94/658909294.db2.gz SHXQDYYENTZCJO-MRXNPFEDSA-N 1 0 309.331 3.312 10 0 DGAERO CCc1cc2cc(C(=O)NC3CC[NH+](C)CC3)sc2s1 ZINC000222795937 658946098 /nfs/dbraw/zinc/94/60/98/658946098.db2.gz IIDSDQBLQAYULA-UHFFFAOYSA-N 1 0 308.472 3.349 10 0 DGAERO CC(C)OCCCC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000224978557 659036442 /nfs/dbraw/zinc/03/64/42/659036442.db2.gz FUPLUDIRNDITAI-OAHLLOKOSA-N 1 0 314.470 3.181 10 0 DGAERO Cc1ccc(-c2noc([C@H]3CC[C@H]([NH3+])C3)n2)cc1Br ZINC000225486457 659069667 /nfs/dbraw/zinc/06/96/67/659069667.db2.gz YCSGIHNKVVIYEN-QWRGUYRKSA-N 1 0 322.206 3.402 10 0 DGAERO FC(F)(F)c1cc(Cl)nc(N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000225811158 659083305 /nfs/dbraw/zinc/08/33/05/659083305.db2.gz JUASJHCLORFUML-VIFPVBQESA-N 1 0 305.731 3.402 10 0 DGAERO CCOc1cccc(-c2csc(CN3CC[NH2+]CC3)c2)c1 ZINC000067840031 659150794 /nfs/dbraw/zinc/15/07/94/659150794.db2.gz FDQDWPFCMXTORZ-UHFFFAOYSA-N 1 0 302.443 3.219 10 0 DGAERO Cc1sc(C[NH2+]CC2CCC(O)CC2)cc1Br ZINC000227629220 659159683 /nfs/dbraw/zinc/15/96/83/659159683.db2.gz FBKHLRVZHUYZFN-UHFFFAOYSA-N 1 0 318.280 3.460 10 0 DGAERO Cc1cc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cc(C)c1O ZINC000227670878 659160318 /nfs/dbraw/zinc/16/03/18/659160318.db2.gz WDMRTQXEZKNAAB-AWEZNQCLSA-N 1 0 322.449 3.402 10 0 DGAERO C[NH+](C)CCCCNC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000228111132 659174628 /nfs/dbraw/zinc/17/46/28/659174628.db2.gz RTDJIANMOSNXDX-UHFFFAOYSA-N 1 0 311.857 3.104 10 0 DGAERO Brc1c[nH]c(C[NH2+]CCCOC2CCCCC2)n1 ZINC000311194277 659223995 /nfs/dbraw/zinc/22/39/95/659223995.db2.gz FPQHRSZETIBRTQ-UHFFFAOYSA-N 1 0 316.243 3.001 10 0 DGAERO CSCCCC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000229250643 659248476 /nfs/dbraw/zinc/24/84/76/659248476.db2.gz JGPHTZSAIWURQE-CYBMUJFWSA-N 1 0 307.381 3.472 10 0 DGAERO C[C@H]1C[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CCS1 ZINC000171700700 659294865 /nfs/dbraw/zinc/29/48/65/659294865.db2.gz VFPZDPUAVNDFPL-LBPRGKRZSA-N 1 0 315.438 3.219 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000230166610 659314785 /nfs/dbraw/zinc/31/47/85/659314785.db2.gz UJTBBPDCRXLQNW-LLVKDONJSA-N 1 0 314.813 3.280 10 0 DGAERO O=C(C1CCC1)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000062554750 659333977 /nfs/dbraw/zinc/33/39/77/659333977.db2.gz SINKTMFERLUDBY-UHFFFAOYSA-N 1 0 312.457 3.400 10 0 DGAERO C[NH2+]C[C@@H]1CCCCN1Cc1csc(Br)c1 ZINC000063168458 659370457 /nfs/dbraw/zinc/37/04/57/659370457.db2.gz BBMPKKMMIWVAKM-NSHDSACASA-N 1 0 303.269 3.085 10 0 DGAERO COC1CC([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000230689912 659346438 /nfs/dbraw/zinc/34/64/38/659346438.db2.gz GPBPBKVUXVMJKO-UHFFFAOYSA-N 1 0 321.218 3.264 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/Sc2ccccc2)[C@H](C)C1 ZINC000172612644 659346627 /nfs/dbraw/zinc/34/66/27/659346627.db2.gz XEOFMGJUMXJDTO-SADTYBKJSA-N 1 0 318.486 3.481 10 0 DGAERO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)nc1 ZINC000230943744 659359416 /nfs/dbraw/zinc/35/94/16/659359416.db2.gz AMIOGQVYHBWNPS-ZBFHGGJFSA-N 1 0 319.449 3.268 10 0 DGAERO CCCCOC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174384081 659432935 /nfs/dbraw/zinc/43/29/35/659432935.db2.gz PHCSJGWNZIJLKP-MSOLQXFVSA-N 1 0 319.445 3.308 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@]1(C)CCCS1 ZINC000232500895 659433690 /nfs/dbraw/zinc/43/36/90/659433690.db2.gz HPPQNHZLDPMPNN-CJNGLKHVSA-N 1 0 314.495 3.261 10 0 DGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000312580913 659541571 /nfs/dbraw/zinc/54/15/71/659541571.db2.gz KNQWWAAKEJGGCB-MNOVXSKESA-N 1 0 305.390 3.376 10 0 DGAERO Clc1ccc(Cc2noc(C[C@H]3CC[NH2+]C3)n2)cc1Cl ZINC000089713562 659863495 /nfs/dbraw/zinc/86/34/95/659863495.db2.gz BPIUNOWHOHXNCU-SNVBAGLBSA-N 1 0 312.200 3.119 10 0 DGAERO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCCC12CCC2 ZINC000444782502 659886586 /nfs/dbraw/zinc/88/65/86/659886586.db2.gz CRPVWQQJYPLXSV-PKOBYXMFSA-N 1 0 315.457 3.460 10 0 DGAERO c1ncn(Cc2ccccc2)c1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000445802689 659931648 /nfs/dbraw/zinc/93/16/48/659931648.db2.gz NZVSZRANUOMRKW-UHFFFAOYSA-N 1 0 321.428 3.034 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000237802437 659942971 /nfs/dbraw/zinc/94/29/71/659942971.db2.gz QSZIVGYZDYAOFG-KOLCDFICSA-N 1 0 308.834 3.412 10 0 DGAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccccc1Cl ZINC000075860523 659948077 /nfs/dbraw/zinc/94/80/77/659948077.db2.gz GCTCSICKXSVEGD-YOEHRIQHSA-N 1 0 310.869 3.180 10 0 DGAERO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1O ZINC000180374311 659960639 /nfs/dbraw/zinc/96/06/39/659960639.db2.gz RFEGZYMZHKSSNQ-RHSMWYFYSA-N 1 0 309.837 3.481 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)CCC2 ZINC000353504175 659990943 /nfs/dbraw/zinc/99/09/43/659990943.db2.gz QORPXNVUYQJSFM-PKOBYXMFSA-N 1 0 324.472 3.431 10 0 DGAERO Cl/C=C/C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181291048 659992119 /nfs/dbraw/zinc/99/21/19/659992119.db2.gz WBWCVNRJIGSILC-KVEVGEHQSA-N 1 0 302.809 3.404 10 0 DGAERO c1[nH]nc2c1[C@@H](NC[C@H]1CCC[N@@H+]1CC1CCCCC1)CCC2 ZINC000353517287 659995057 /nfs/dbraw/zinc/99/50/57/659995057.db2.gz JUXDHLPXACLZOM-AEFFLSMTSA-N 1 0 316.493 3.421 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CCN1Cc1ccccc1 ZINC000353533404 659996036 /nfs/dbraw/zinc/99/60/36/659996036.db2.gz RTVURHWKKUUXAN-SZVBFZGTSA-N 1 0 324.472 3.430 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]CCN1CCC3(CCCCC3)CC1)CCC2 ZINC000353586243 660003896 /nfs/dbraw/zinc/00/38/96/660003896.db2.gz CISJSTLXILHWFU-KRWDZBQOSA-N 1 0 316.493 3.423 10 0 DGAERO C[C@@H]([NH2+]Cc1ccnc(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000181889465 660024217 /nfs/dbraw/zinc/02/42/17/660024217.db2.gz WKJDGIAMXOFMNN-GFCCVEGCSA-N 1 0 313.792 3.167 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000182071620 660031967 /nfs/dbraw/zinc/03/19/67/660031967.db2.gz PQDAXFNSGHWXFW-NSHDSACASA-N 1 0 311.809 3.128 10 0 DGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CSC(C)(C)C ZINC000182092733 660033714 /nfs/dbraw/zinc/03/37/14/660033714.db2.gz HUVVOSLGPKKELC-AWEZNQCLSA-N 1 0 308.491 3.155 10 0 DGAERO CCCCCC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182357046 660045754 /nfs/dbraw/zinc/04/57/54/660045754.db2.gz WYKPZECRKCTPBO-GOEBONIOSA-N 1 0 320.481 3.172 10 0 DGAERO COCCC[C@@H](C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183167131 660103295 /nfs/dbraw/zinc/10/32/95/660103295.db2.gz BALXULJTMCVWNH-SJLPKXTDSA-N 1 0 319.445 3.257 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc(F)c(Br)c1 ZINC000071302178 660114402 /nfs/dbraw/zinc/11/44/02/660114402.db2.gz ZUCLXQWQQMMLOS-SDBXPKJASA-N 1 0 302.187 3.010 10 0 DGAERO CC(C)[C@@H](C)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000081056326 660153082 /nfs/dbraw/zinc/15/30/82/660153082.db2.gz GGEFMGNBEUYLQJ-SMDDNHRTSA-N 1 0 300.240 3.364 10 0 DGAERO CC[NH+]1CCN(c2cccc(NC(=O)/C=C/C(C)(C)C)c2)CC1 ZINC000184271547 660161435 /nfs/dbraw/zinc/16/14/35/660161435.db2.gz ZVCFEBKOBBRWQQ-MDZDMXLPSA-N 1 0 315.461 3.369 10 0 DGAERO C[C@H](CNC(=O)/C=C/C(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC000074463596 661692847 /nfs/dbraw/zinc/69/28/47/661692847.db2.gz RSTSRWFWOUWXQW-OQHXTRMZSA-N 1 0 306.475 3.213 10 0 DGAERO CC[N@H+](CCc1nccs1)Cc1ccc(OC(C)=O)cc1 ZINC000159223425 661884131 /nfs/dbraw/zinc/88/41/31/661884131.db2.gz IALOAYGKSBYVAE-UHFFFAOYSA-N 1 0 304.415 3.133 10 0 DGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1sc2ccccc2c1Cl ZINC000049096271 661899175 /nfs/dbraw/zinc/89/91/75/661899175.db2.gz MHIKBDZLEZSCCL-JTQLQIEISA-N 1 0 308.834 3.379 10 0 DGAERO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000188645662 661938195 /nfs/dbraw/zinc/93/81/95/661938195.db2.gz JCNQCUIIZGFUAN-HZPDHXFCSA-N 1 0 318.461 3.322 10 0 DGAERO COc1ccc2c(c1)C(=O)N(CN1CCC[C@H]1c1ccccc1)C2 ZINC000189702576 661988185 /nfs/dbraw/zinc/98/81/85/661988185.db2.gz VHFREAZAKPPOBG-IBGZPJMESA-N 1 0 322.408 3.446 10 0 DGAERO CC1(C)[C@H]([NH2+]CC2(C)OCCCO2)C[C@@H]1OCc1ccccc1 ZINC000190658279 662039914 /nfs/dbraw/zinc/03/99/14/662039914.db2.gz ZWDXBWZFJKTXHO-SJORKVTESA-N 1 0 319.445 3.113 10 0 DGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192190408 662091174 /nfs/dbraw/zinc/09/11/74/662091174.db2.gz IDPCMUDWDXUQND-TZMCWYRMSA-N 1 0 319.449 3.083 10 0 DGAERO CCCCCOc1ccc(C[NH2+]CC2(C)OCCCO2)cc1 ZINC000192250465 662093253 /nfs/dbraw/zinc/09/32/53/662093253.db2.gz BUWWSKRZWNBSDZ-UHFFFAOYSA-N 1 0 307.434 3.498 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(COC)cc2)[C@H](C)C1 ZINC000192517224 662102443 /nfs/dbraw/zinc/10/24/43/662102443.db2.gz WIXZFDBZVPPJDV-RHSMWYFYSA-N 1 0 319.449 3.027 10 0 DGAERO C[C@@H](C[NH2+]Cc1cccc2cnccc21)NC(=O)OC(C)(C)C ZINC000192687420 662108369 /nfs/dbraw/zinc/10/83/69/662108369.db2.gz RVMOXIVLNWTCEO-ZDUSSCGKSA-N 1 0 315.417 3.238 10 0 DGAERO Cc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](C3CC3)CC1)[C@H](C)C2 ZINC000192817228 662112110 /nfs/dbraw/zinc/11/21/10/662112110.db2.gz WHHLOUXWIWGMQN-KUHUBIRLSA-N 1 0 312.457 3.219 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccnn1C ZINC000192853000 662112950 /nfs/dbraw/zinc/11/29/50/662112950.db2.gz DRFQACBFGPBVOO-LKFCYVNXSA-N 1 0 314.216 3.111 10 0 DGAERO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717940435 662210770 /nfs/dbraw/zinc/21/07/70/662210770.db2.gz WRYMLKQNHRVFKK-QMMMGPOBSA-N 1 0 308.369 3.190 10 0 DGAERO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(C(F)(F)F)s1 ZINC000717985050 662213025 /nfs/dbraw/zinc/21/30/25/662213025.db2.gz OJDVOYSNZASQNG-RQJHMYQMSA-N 1 0 303.296 3.434 10 0 DGAERO Cc1nc(C[NH2+]CC(C)(C)C(C)(C)O)sc1Br ZINC000719255585 662272276 /nfs/dbraw/zinc/27/22/76/662272276.db2.gz BBUQXKWVOBXSEY-UHFFFAOYSA-N 1 0 321.284 3.101 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(CSC(F)F)o1 ZINC000245696595 662238435 /nfs/dbraw/zinc/23/84/35/662238435.db2.gz CKWLZSBDYTYBNI-RYUDHWBXSA-N 1 0 316.417 3.404 10 0 DGAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089390834 662242836 /nfs/dbraw/zinc/24/28/36/662242836.db2.gz HLDDWELVUICEHX-RYUDHWBXSA-N 1 0 312.816 3.203 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnc(Cl)c(C)c2)[C@@H](C)C1 ZINC000246046282 662246410 /nfs/dbraw/zinc/24/64/10/662246410.db2.gz PMHKQZVWJAXZTJ-JSGCOSHPSA-N 1 0 324.856 3.237 10 0 DGAERO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cnc(Cl)s1)CC2 ZINC000718199272 662249446 /nfs/dbraw/zinc/24/94/46/662249446.db2.gz BUSINRXNOWMYNU-GFCCVEGCSA-N 1 0 308.834 3.452 10 0 DGAERO C[C@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)[C@@]12C[C@@H]1CCCC2 ZINC000718667920 662260118 /nfs/dbraw/zinc/26/01/18/662260118.db2.gz IXDZBAUBPCINOJ-OFQRWUPVSA-N 1 0 301.496 3.148 10 0 DGAERO COCC(C)(C)CC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000718716764 662260203 /nfs/dbraw/zinc/26/02/03/662260203.db2.gz OQQJKOXMRNEOAW-CQSZACIVSA-N 1 0 314.470 3.038 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCO[C@](C)(c2ccccc2)C1)c1ccccc1 ZINC000246459464 662260292 /nfs/dbraw/zinc/26/02/92/662260292.db2.gz LZUXUKFVTPMMJV-UXHICEINSA-N 1 0 311.425 3.142 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000718771771 662261766 /nfs/dbraw/zinc/26/17/66/662261766.db2.gz AVEIVXBOTGMOLE-NZSAHSFTSA-N 1 0 304.478 3.444 10 0 DGAERO CO[C@H]1CCC[C@H]([NH2+]Cc2ncc(Br)s2)CC1 ZINC000718827968 662262474 /nfs/dbraw/zinc/26/24/74/662262474.db2.gz UPPUQNVEPLLZAM-UWVGGRQHSA-N 1 0 319.268 3.343 10 0 DGAERO Fc1ccc(C[NH2+]CC[C@H]2CCCO2)c(Br)c1 ZINC000037989842 662268213 /nfs/dbraw/zinc/26/82/13/662268213.db2.gz KLDHOMOHODYGHB-GFCCVEGCSA-N 1 0 302.187 3.247 10 0 DGAERO Cc1nc(C[NH2+]C[C@H]2CCCSC2)sc1Br ZINC000719239353 662271847 /nfs/dbraw/zinc/27/18/47/662271847.db2.gz AOOANCBGQMNQLG-SECBINFHSA-N 1 0 321.309 3.447 10 0 DGAERO Cc1nc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)sc1Br ZINC000719285728 662272989 /nfs/dbraw/zinc/27/29/89/662272989.db2.gz CAMMGGJGBLBPBR-MYQHRXMXSA-N 1 0 319.268 3.116 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2ccc(Br)cc2)CCSC1 ZINC000719315391 662273241 /nfs/dbraw/zinc/27/32/41/662273241.db2.gz IDFRQYSUCWECQZ-CYBMUJFWSA-N 1 0 316.264 3.061 10 0 DGAERO Cc1nc(C[NH2+]C[C@H]2CCCS2)sc1Br ZINC000719322630 662274015 /nfs/dbraw/zinc/27/40/15/662274015.db2.gz SWNVHIUTDLVOFN-MRVPVSSYSA-N 1 0 307.282 3.199 10 0 DGAERO CO[C@@]1(C[NH2+]Cc2ccccc2C(F)(F)F)CCSC1 ZINC000719326648 662274066 /nfs/dbraw/zinc/27/40/66/662274066.db2.gz SJGCXCTUEGBPHO-CYBMUJFWSA-N 1 0 305.365 3.317 10 0 DGAERO C[C@H]1[C@@H](Nc2ncc(Br)cc2Cl)CC[N@@H+]1C ZINC000719568158 662292507 /nfs/dbraw/zinc/29/25/07/662292507.db2.gz AJGIDDBHFXDZLO-XVKPBYJWSA-N 1 0 304.619 3.002 10 0 DGAERO C[NH2+]CCCCc1nc(-c2ccc(C)cc2Br)no1 ZINC000719712467 662297189 /nfs/dbraw/zinc/29/71/89/662297189.db2.gz VXSXRLBVPJELHZ-UHFFFAOYSA-N 1 0 324.222 3.350 10 0 DGAERO C[C@H]1C[N@H+](CC2(O)CCCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000247059715 662298703 /nfs/dbraw/zinc/29/87/03/662298703.db2.gz WBIBOAAHRYXMKV-YOEHRIQHSA-N 1 0 307.409 3.283 10 0 DGAERO CN(Cc1cccnc1N)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719968187 662300079 /nfs/dbraw/zinc/30/00/79/662300079.db2.gz NXRZVBICFVCMIE-IBGZPJMESA-N 1 0 324.472 3.150 10 0 DGAERO O[C@@H](C[N@H+](C[C@H]1CCCO1)C1CCCC1)c1ccc(F)cc1 ZINC000247263445 662305348 /nfs/dbraw/zinc/30/53/48/662305348.db2.gz FKNONQGWBJTJRV-MSOLQXFVSA-N 1 0 307.409 3.283 10 0 DGAERO C[C@@H](Cc1cccs1)[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720246050 662306470 /nfs/dbraw/zinc/30/64/70/662306470.db2.gz YXWFIIULIASUNU-QMMMGPOBSA-N 1 0 303.296 3.440 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1cncc(Br)c1 ZINC000720161885 662305862 /nfs/dbraw/zinc/30/58/62/662305862.db2.gz ZDRYXRWWNBWBCC-ZJUUUORDSA-N 1 0 301.228 3.308 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000720193168 662306211 /nfs/dbraw/zinc/30/62/11/662306211.db2.gz HXKBZFXJQFOBAT-VIFPVBQESA-N 1 0 304.203 3.491 10 0 DGAERO C[C@@H](Cc1ccsc1)[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720246086 662306415 /nfs/dbraw/zinc/30/64/15/662306415.db2.gz ZDMSUSWNWLXNFM-QMMMGPOBSA-N 1 0 303.296 3.440 10 0 DGAERO Cc1cc(C)cc([C@H](O)CN(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000247522039 662324645 /nfs/dbraw/zinc/32/46/45/662324645.db2.gz NMZZAZNRFBLSOU-RTBURBONSA-N 1 0 304.478 3.143 10 0 DGAERO CC(C)(C)c1ccc(/C=C/C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000248643674 662356146 /nfs/dbraw/zinc/35/61/46/662356146.db2.gz RUWFUGVFMBJIAB-GQQHWBOMSA-N 1 0 312.457 3.193 10 0 DGAERO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC000248662785 662356530 /nfs/dbraw/zinc/35/65/30/662356530.db2.gz HHWUFOLSJUUUHM-QWQRMKEZSA-N 1 0 308.466 3.221 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CSC(C)(C)C ZINC000248927175 662361988 /nfs/dbraw/zinc/36/19/88/662361988.db2.gz XIOMRQSTPFURIW-GOEBONIOSA-N 1 0 320.502 3.155 10 0 DGAERO Brc1cscc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527740938 685269758 /nfs/dbraw/zinc/26/97/58/685269758.db2.gz XNXDQGKZKWKNFB-SNVBAGLBSA-N 1 0 304.253 3.417 10 0 DGAERO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717940963 685276149 /nfs/dbraw/zinc/27/61/49/685276149.db2.gz YHVDIIGRPRPNNZ-VIFPVBQESA-N 1 0 308.369 3.286 10 0 DGAERO O[C@H](C[NH2+]C1(C2CC2)CCC1)c1cccc(Br)c1 ZINC000717836926 685276336 /nfs/dbraw/zinc/27/63/36/685276336.db2.gz VKUSCNBJBFHHOH-CQSZACIVSA-N 1 0 310.235 3.405 10 0 DGAERO c1ccc(CN2CCCC[C@H]2C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000379626646 685148714 /nfs/dbraw/zinc/14/87/14/685148714.db2.gz MHPWWHBEUINYQO-MOPGFXCFSA-N 1 0 302.462 3.200 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CCO1 ZINC000379627911 685148844 /nfs/dbraw/zinc/14/88/44/685148844.db2.gz NBOJPAKEADLIFO-QRQLOZEOSA-N 1 0 302.462 3.198 10 0 DGAERO CC(C)CNC(=S)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379705125 685148870 /nfs/dbraw/zinc/14/88/70/685148870.db2.gz MWQVZEUPSNEDSC-KRWDZBQOSA-N 1 0 319.518 3.161 10 0 DGAERO COC1CC([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000381225197 685155827 /nfs/dbraw/zinc/15/58/27/685155827.db2.gz IERBDMICOVXQRD-SFVIPPHHSA-N 1 0 302.237 3.265 10 0 DGAERO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000382122086 685162284 /nfs/dbraw/zinc/16/22/84/685162284.db2.gz UHRNQKUCGDAPMF-RBSFLKMASA-N 1 0 314.470 3.227 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)cs1 ZINC000382185047 685162336 /nfs/dbraw/zinc/16/23/36/685162336.db2.gz GVNMFEJVUNNDQO-CQSZACIVSA-N 1 0 310.463 3.449 10 0 DGAERO Brc1cnn(CCC[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000382289714 685163565 /nfs/dbraw/zinc/16/35/65/685163565.db2.gz PTHJSEHXOFBRIY-YIZWMMSDSA-N 1 0 312.255 3.204 10 0 DGAERO Cc1cccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1F ZINC000384513525 685171481 /nfs/dbraw/zinc/17/14/81/685171481.db2.gz UTBMKEBFVTVYER-WAYWQWQTSA-N 1 0 308.397 3.305 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000389854158 685197170 /nfs/dbraw/zinc/19/71/70/685197170.db2.gz YMXQHUKJFFGLJZ-IHRRRGAJSA-N 1 0 314.470 3.035 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)ccn1 ZINC000391170049 685210270 /nfs/dbraw/zinc/21/02/70/685210270.db2.gz GUKLZSMMROTFSE-CZUORRHYSA-N 1 0 319.449 3.125 10 0 DGAERO CC(C)(C)OC(=O)N(CC[NH2+][C@H]1COC(C)(C)C1)C(C)(C)C ZINC000396512702 685227413 /nfs/dbraw/zinc/22/74/13/685227413.db2.gz QPDKMKLSFJDHBD-CYBMUJFWSA-N 1 0 314.470 3.179 10 0 DGAERO CCOc1ccc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000397874114 685232868 /nfs/dbraw/zinc/23/28/68/685232868.db2.gz KDUMHXPARKQMKZ-UHFFFAOYSA-N 1 0 320.433 3.042 10 0 DGAERO COc1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c(OC)c1 ZINC000399059824 685239080 /nfs/dbraw/zinc/23/90/80/685239080.db2.gz NZDCUJUAZHCKFY-NSHDSACASA-N 1 0 304.217 3.377 10 0 DGAERO CC(C)[C@@H](C[NH2+][C@@H](C)CC1CC1)ONC(=O)OC(C)(C)C ZINC000398864606 1176051725 /nfs/dbraw/zinc/05/17/25/1176051725.db2.gz MNXHJSWKXOTQOK-GXTWGEPZSA-N 1 0 300.443 3.246 10 0 DGAERO c1cnn(CC[NH2+]Cc2ccccc2OCc2ccccc2)c1 ZINC000236758010 1176227721 /nfs/dbraw/zinc/22/77/21/1176227721.db2.gz UTXLVNGDGLMMNN-UHFFFAOYSA-N 1 0 307.397 3.252 10 0 DGAERO Cc1ccoc1C[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399028158 1176230460 /nfs/dbraw/zinc/23/04/60/1176230460.db2.gz KLMWQPIAEKRUAK-KGLIPLIRSA-N 1 0 308.422 3.466 10 0 DGAERO Ic1ccccc1C[NH2+][C@@H]1CC=CCC1 ZINC000076770861 1176238074 /nfs/dbraw/zinc/23/80/74/1176238074.db2.gz RZDROKVBYLRTHN-GFCCVEGCSA-N 1 0 313.182 3.490 10 0 DGAERO O[C@@H]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000089163242 1176243091 /nfs/dbraw/zinc/24/30/91/1176243091.db2.gz VAXDKPBMRUTNEJ-PIISCBOPSA-N 1 0 324.262 3.446 10 0 DGAERO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000393340438 1176603333 /nfs/dbraw/zinc/60/33/33/1176603333.db2.gz ZWHSYGZQSJQAIN-NWDGAFQWSA-N 1 0 314.271 3.487 10 0 DGAERO CC1([NH2+]Cc2ccc(I)cc2)CCC1 ZINC000228852001 1176609651 /nfs/dbraw/zinc/60/96/51/1176609651.db2.gz CWHUWPFTWVJJLB-UHFFFAOYSA-N 1 0 301.171 3.323 10 0 DGAERO Cc1cccc(OCC[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000378889988 1176747248 /nfs/dbraw/zinc/74/72/48/1176747248.db2.gz PJHAFSFIJNSMLY-UHFFFAOYSA-N 1 0 321.424 3.408 10 0 DGAERO c1ccc2c(c1)OC[C@H](C[NH2+]Cc1cccc3cnccc31)O2 ZINC000378887830 1176748414 /nfs/dbraw/zinc/74/84/14/1176748414.db2.gz JDTFNCLFVMUSAN-INIZCTEOSA-N 1 0 306.365 3.164 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2F)[C@H](C)O1 ZINC000395002352 1176756115 /nfs/dbraw/zinc/75/61/15/1176756115.db2.gz FIGVIFJDWGWBHI-VDDIYKPWSA-N 1 0 302.187 3.244 10 0 DGAERO OCC1(CC[NH2+]C2CC(c3ccccc3Br)C2)CC1 ZINC000395840629 1176768053 /nfs/dbraw/zinc/76/80/53/1176768053.db2.gz FGWLFCPYICINJV-UHFFFAOYSA-N 1 0 324.262 3.447 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CCCCCCO ZINC000395214399 1176787564 /nfs/dbraw/zinc/78/75/64/1176787564.db2.gz JRLOLWRWAZBIOS-UHFFFAOYSA-N 1 0 300.240 3.400 10 0 DGAERO CCCn1cncc1CNCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379631995 1176800421 /nfs/dbraw/zinc/80/04/21/1176800421.db2.gz MSAVWLXIPPZEFW-QGZVFWFLSA-N 1 0 314.477 3.293 10 0 DGAERO Cc1cc(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)cs1 ZINC000397213718 1177001113 /nfs/dbraw/zinc/00/11/13/1177001113.db2.gz CHXBJFCFMBSSPX-UHFFFAOYSA-N 1 0 316.426 3.167 10 0 DGAERO Cc1sc(C[NH2+]CCOC(F)(F)F)cc1Br ZINC000398210956 1177016906 /nfs/dbraw/zinc/01/69/06/1177016906.db2.gz FHWFBCVIRZSOHO-UHFFFAOYSA-N 1 0 318.158 3.445 10 0 DGAERO CC[C@H](O)CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000398478259 1177019869 /nfs/dbraw/zinc/01/98/69/1177019869.db2.gz UUTSCBRTIXMBFT-NSHDSACASA-N 1 0 304.203 3.229 10 0 DGAERO COCC1(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)CCC1 ZINC000382002973 1177025981 /nfs/dbraw/zinc/02/59/81/1177025981.db2.gz RKHNTISLKOVYHJ-WMZOPIPTSA-N 1 0 302.462 3.056 10 0 DGAERO CC[C@@H](O)CCC[NH2+]Cc1cc(Br)ccc1OC ZINC000398588466 1177026819 /nfs/dbraw/zinc/02/68/19/1177026819.db2.gz VYQJUNJHJSTSEN-CYBMUJFWSA-N 1 0 316.239 3.098 10 0 DGAERO CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1C)ONC(=O)OC(C)(C)C ZINC000398703133 1177028676 /nfs/dbraw/zinc/02/86/76/1177028676.db2.gz SEKVBYFJFDWSKH-RDBSUJKOSA-N 1 0 300.443 3.246 10 0 DGAERO C[N@H+](CCNc1cccc(Br)n1)Cc1ccccc1 ZINC000386418713 1177406375 /nfs/dbraw/zinc/40/63/75/1177406375.db2.gz HGWTXBOWAXCOSP-UHFFFAOYSA-N 1 0 320.234 3.388 10 0 DGAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000085365462 1177650446 /nfs/dbraw/zinc/65/04/46/1177650446.db2.gz SIFATNIJJDCFEJ-ZIAGYGMSSA-N 1 0 301.415 3.266 10 0 DGAERO c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000336896538 1177700668 /nfs/dbraw/zinc/70/06/68/1177700668.db2.gz NYINLQUOYUJNKS-IBGZPJMESA-N 1 0 319.408 3.025 10 0 DGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085366697 1177712450 /nfs/dbraw/zinc/71/24/50/1177712450.db2.gz FNALAUGHHBOVDY-FZMZJTMJSA-N 1 0 315.244 3.469 10 0 DGAERO c1cn(-c2ccccc2)nc1C[NH2+]CCCNc1ccccc1 ZINC000091060775 1177897472 /nfs/dbraw/zinc/89/74/72/1177897472.db2.gz LPWGBFFHSAXYSX-UHFFFAOYSA-N 1 0 306.413 3.464 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1Cc2ccccc2C2(CCC2)C1 ZINC000359065553 1178069240 /nfs/dbraw/zinc/06/92/40/1178069240.db2.gz PBXSKAVHCLMZMP-SFHVURJKSA-N 1 0 312.457 3.325 10 0 DGAERO C[N@H+](CCCNC(=O)c1c[nH]c2ccccc12)Cc1ccccc1 ZINC000041836700 1194150446 /nfs/dbraw/zinc/15/04/46/1194150446.db2.gz XZBFGOGIWHODOR-UHFFFAOYSA-N 1 0 321.424 3.420 10 0 DGAERO COc1ccc(C[NH2+]CCOc2ccccc2)cc1OC(F)F ZINC000060828835 1195158829 /nfs/dbraw/zinc/15/88/29/1195158829.db2.gz IIEFBFCNPHXASY-UHFFFAOYSA-N 1 0 323.339 3.465 10 0 DGAERO COc1ccccc1C[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000062653125 1195260035 /nfs/dbraw/zinc/26/00/35/1195260035.db2.gz HQLNNIWHFHPIEF-UHFFFAOYSA-N 1 0 309.369 3.078 10 0 DGAERO c1cnn(CCC[NH2+]Cc2csc(-c3ccsc3)n2)c1 ZINC000067186303 1195603543 /nfs/dbraw/zinc/60/35/43/1195603543.db2.gz OATNUBIRIIWWCV-UHFFFAOYSA-N 1 0 304.444 3.248 10 0 DGAERO C=CCCCC(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000079605248 1196972323 /nfs/dbraw/zinc/97/23/23/1196972323.db2.gz QWWRWTVMJQVHJZ-GOSISDBHSA-N 1 0 300.446 3.166 10 0 DGAERO Cc1ncsc1CNCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000080234673 1197050598 /nfs/dbraw/zinc/05/05/98/1197050598.db2.gz INBGGHQLKWFYFB-CQSZACIVSA-N 1 0 303.475 3.452 10 0 DGAERO CCOC1CC([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000379627256 1197704192 /nfs/dbraw/zinc/70/41/92/1197704192.db2.gz MQOYWIBFKBAEOD-XBMUEBEBSA-N 1 0 302.462 3.198 10 0 DGAERO C[C@H](CCCO)C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000384296962 1197706540 /nfs/dbraw/zinc/70/65/40/1197706540.db2.gz AOTKCORIOXTUHL-CQSZACIVSA-N 1 0 316.486 3.020 10 0 DGAERO CC[C@H]([NH2+]C1CC(c2ccccc2Br)C1)[C@H](C)O ZINC000386739921 1197707881 /nfs/dbraw/zinc/70/78/81/1197707881.db2.gz XXHNYLBVGDZHPP-QZLRTXKQSA-N 1 0 312.251 3.444 10 0 DGAERO C[C@H]1CC[C@@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)O1 ZINC000398089483 1197723112 /nfs/dbraw/zinc/72/31/12/1197723112.db2.gz OYDFBUPEOGZOME-KBPBESRZSA-N 1 0 314.470 3.179 10 0 DGAERO c1nc(C[NH2+]CCN2CCCCC2)sc1-c1ccccc1 ZINC000092368284 1198563173 /nfs/dbraw/zinc/56/31/73/1198563173.db2.gz JILUVRDIKLWHIQ-UHFFFAOYSA-N 1 0 301.459 3.386 10 0 DGAERO CC(C)[C@H](CO)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000092393918 1198567387 /nfs/dbraw/zinc/56/73/87/1198567387.db2.gz INGCFMSEJIIDGJ-DOMZBBRYSA-N 1 0 301.377 3.216 10 0 DGAERO Clc1ccccc1C[NH2+]CCN1CCc2ccccc2C1 ZINC000097206034 1199102778 /nfs/dbraw/zinc/10/27/78/1199102778.db2.gz ICBPARBBTYMUEV-UHFFFAOYSA-N 1 0 300.833 3.488 10 0 DGAERO CC[C@@]1(c2nc(CSc3ccc(F)cc3)no2)CC[NH2+]C1 ZINC000097329096 1199117789 /nfs/dbraw/zinc/11/77/89/1199117789.db2.gz GHDWYQIUKGBZPA-OAHLLOKOSA-N 1 0 307.394 3.142 10 0 DGAERO CC(C)=CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404418940 1199554680 /nfs/dbraw/zinc/55/46/80/1199554680.db2.gz HNSYAKAOORIJNZ-GVDBMIGSSA-N 1 0 300.446 3.463 10 0 DGAERO CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000312451777 1199752456 /nfs/dbraw/zinc/75/24/56/1199752456.db2.gz VBIDDTFPBLULCS-ZDUSSCGKSA-N 1 0 316.276 3.492 10 0 DGAERO CC(=O)N(c1nc(C[NH2+][C@H]2CCCC[C@@H]2C)cs1)C1CC1 ZINC000115609719 1199755745 /nfs/dbraw/zinc/75/57/45/1199755745.db2.gz NQNWZBDIFOAWAM-NHYWBVRUSA-N 1 0 307.463 3.327 10 0 DGAERO c1cc(-c2nc(C[NH2+]CCOC[C@@H]3CCCO3)cs2)cs1 ZINC000115625399 1199756780 /nfs/dbraw/zinc/75/67/80/1199756780.db2.gz BJMRPFDCJNQSBN-AWEZNQCLSA-N 1 0 324.471 3.157 10 0 DGAERO Clc1cccc(Cl)c1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000115625090 1199756811 /nfs/dbraw/zinc/75/68/11/1199756811.db2.gz AKAFUAQZWUWJSZ-NSHDSACASA-N 1 0 304.217 3.279 10 0 DGAERO CC[C@@](C)(C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1)OC ZINC000319817711 1199841165 /nfs/dbraw/zinc/84/11/65/1199841165.db2.gz HXSICCNHSHGPJZ-OALUTQOASA-N 1 0 304.478 3.446 10 0 DGAERO Clc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cn1 ZINC000123663793 1200284334 /nfs/dbraw/zinc/28/43/34/1200284334.db2.gz VDIGZUQVKKYVJI-KGLIPLIRSA-N 1 0 312.866 3.222 10 0 DGAERO OCCCCC[NH2+]C1CC(c2ccccc2Br)C1 ZINC000229110057 1201094430 /nfs/dbraw/zinc/09/44/30/1201094430.db2.gz VYNYUMOTRQWZJP-UHFFFAOYSA-N 1 0 312.251 3.447 10 0 DGAERO c1ncn(-c2ccc(C[NH2+]CCc3cc4ccccc4[nH]3)cc2)n1 ZINC000135912957 1201205857 /nfs/dbraw/zinc/20/58/57/1201205857.db2.gz QXUKJDXJKYRKNX-UHFFFAOYSA-N 1 0 317.396 3.081 10 0 DGAERO Cc1cc(Br)ccc1C[NH2+]CCc1ccccn1 ZINC000151312210 1202565638 /nfs/dbraw/zinc/56/56/38/1202565638.db2.gz PFJJDRVUSOSYGZ-UHFFFAOYSA-N 1 0 305.219 3.485 10 0 DGAERO Fc1ccccc1C[NH2+]CCNc1ncccc1C(F)(F)F ZINC000152758535 1202595077 /nfs/dbraw/zinc/59/50/77/1202595077.db2.gz YWHGGYTXJIOHAW-UHFFFAOYSA-N 1 0 313.298 3.441 10 0 DGAERO c1oc(-c2ccccc2)nc1C[NH2+]CCc1cn2ccccc2n1 ZINC000155441279 1202598829 /nfs/dbraw/zinc/59/88/29/1202598829.db2.gz CMDUAXJKEOTYIU-UHFFFAOYSA-N 1 0 318.380 3.322 10 0 DGAERO CC[NH+](CC)CCCNCc1cccc(Br)c1F ZINC000233456550 1202602612 /nfs/dbraw/zinc/60/26/12/1202602612.db2.gz DPUANGBYVKTHQK-UHFFFAOYSA-N 1 0 317.246 3.410 10 0 DGAERO c1nc(N2CCOCC2)sc1C[NH2+]CCC1CCCCC1 ZINC000236570359 1202612582 /nfs/dbraw/zinc/61/25/82/1202612582.db2.gz HSXVJUIQKOFVFV-UHFFFAOYSA-N 1 0 309.479 3.040 10 0 DGAERO COc1ccc(C[NH2+]CCN(C)Cc2ccccc2)cc1F ZINC000237136930 1202649882 /nfs/dbraw/zinc/64/98/82/1202649882.db2.gz YVFSSBLCJCMCJV-UHFFFAOYSA-N 1 0 302.393 3.056 10 0 DGAERO C=CCOc1ccc(C[NH2+]C[C@H](C)N(C)C2CC2)cc1Cl ZINC000237370078 1202672567 /nfs/dbraw/zinc/67/25/67/1202672567.db2.gz RLFVMGJQKFIHES-ZDUSSCGKSA-N 1 0 308.853 3.477 10 0 DGAERO C[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)CC1CCC1 ZINC000187020248 1202984166 /nfs/dbraw/zinc/98/41/66/1202984166.db2.gz ACSNPIQEAPVKNJ-AWEZNQCLSA-N 1 0 316.214 3.354 10 0 DGAERO O[C@@H](CC1CCCC1)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000190436385 1203279174 /nfs/dbraw/zinc/27/91/74/1203279174.db2.gz RJXZHFRGEASTCZ-KRWDZBQOSA-N 1 0 303.446 3.471 10 0 DGAERO O=C(c1cccc(F)c1)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000243867912 1203595760 /nfs/dbraw/zinc/59/57/60/1203595760.db2.gz RLDDCCRHKAELBU-UHFFFAOYSA-N 1 0 316.420 3.474 10 0 DGAERO C[C@@H]1CCCN1CC[NH2+]Cc1ccc(Br)s1 ZINC000164911984 1203712381 /nfs/dbraw/zinc/71/23/81/1203712381.db2.gz RYXSHIZJPBKODA-SNVBAGLBSA-N 1 0 303.269 3.085 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000248744737 1203809866 /nfs/dbraw/zinc/80/98/66/1203809866.db2.gz FDJZUHRMRBHMBH-VZAMPYOESA-N 1 0 322.836 3.067 10 0 DGAERO C[C@H](Cc1ccsc1)[N@H+](C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000176439636 1203930724 /nfs/dbraw/zinc/93/07/24/1203930724.db2.gz LKLAEWMMWWRIQJ-KGLIPLIRSA-N 1 0 320.502 3.400 10 0 DGAERO CCOc1ccccc1CN(C)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261955623 1204300460 /nfs/dbraw/zinc/30/04/60/1204300460.db2.gz XAODLLLVXDRINQ-KRWDZBQOSA-N 1 0 318.461 3.341 10 0 DGAERO Cc1noc([C@H](NCC#Cc2ccc(Cl)cc2)C(C)C)n1 ZINC000179851960 1204323890 /nfs/dbraw/zinc/32/38/90/1204323890.db2.gz ULLFYEGFESUXIP-OAHLLOKOSA-N 1 0 303.793 3.370 10 0 DGAERO O=C(Nc1ccnc(Cl)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000181863939 1204339395 /nfs/dbraw/zinc/33/93/95/1204339395.db2.gz WANDJGCJHYXUFQ-AWEZNQCLSA-N 1 0 322.840 3.121 10 0 DGAERO O=C(Nc1cccc(Cl)n1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000183852734 1204348281 /nfs/dbraw/zinc/34/82/81/1204348281.db2.gz NZVFSYLKHIAPMT-ZDUSSCGKSA-N 1 0 322.840 3.121 10 0 DGAERO c1nn(-c2ccccc2)nc1C[NH2+]CCCOC1CCCCC1 ZINC000072786359 1081960819 /nfs/dbraw/zinc/96/08/19/1081960819.db2.gz KPNSSCPTSQGTEU-UHFFFAOYSA-N 1 0 314.433 3.096 10 0 DGAERO Clc1c(Br)cccc1CNCCC[NH+]1CCC1 ZINC000706467361 1082024299 /nfs/dbraw/zinc/02/42/99/1082024299.db2.gz XBTLCIAQTXKHQB-UHFFFAOYSA-N 1 0 317.658 3.288 10 0 DGAERO C/C(=C/c1ccc(C)cc1)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000588401274 1082143155 /nfs/dbraw/zinc/14/31/55/1082143155.db2.gz RGDFBGCPBSNRJL-BLTVVPKDSA-N 1 0 312.457 3.341 10 0 DGAERO Cc1occc1C[NH2+]C[C@@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398926508 1082241620 /nfs/dbraw/zinc/24/16/20/1082241620.db2.gz RSCFHBODMAUEES-CQSZACIVSA-N 1 0 312.410 3.159 10 0 DGAERO COc1ccccc1/C=C\C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000588432624 1082250261 /nfs/dbraw/zinc/25/02/61/1082250261.db2.gz PMACXJZOXOTCAK-CTEOGUNLSA-N 1 0 317.429 3.183 10 0 DGAERO Brc1cnn(CCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403716646 1082471996 /nfs/dbraw/zinc/47/19/96/1082471996.db2.gz YUCOKYNHFINROH-UPJWGTAASA-N 1 0 312.255 3.062 10 0 DGAERO COC(C)(C)CC[NH2+]Cc1c(F)cccc1Br ZINC000711827959 1085549594 /nfs/dbraw/zinc/54/95/94/1085549594.db2.gz SFYGMQQPFHUSNL-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO Brc1ccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc1 ZINC000715542110 1090644825 /nfs/dbraw/zinc/64/48/25/1090644825.db2.gz WZCGLIMPQLFUPW-HUUCEWRRSA-N 1 0 310.235 3.496 10 0 DGAERO Cc1cc(F)ccc1C[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720229956 1091503374 /nfs/dbraw/zinc/50/33/74/1091503374.db2.gz IUCZJEWWWMQVJN-UHFFFAOYSA-N 1 0 301.230 3.395 10 0 DGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000091479968 1093462383 /nfs/dbraw/zinc/46/23/83/1093462383.db2.gz QZMTYPAOEAFIOM-VXGBXAGGSA-N 1 0 300.324 3.470 10 0 DGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000091479966 1093462649 /nfs/dbraw/zinc/46/26/49/1093462649.db2.gz QZMTYPAOEAFIOM-RYUDHWBXSA-N 1 0 300.324 3.470 10 0 DGAERO Cc1noc([C@H]([NH2+]CCCOc2ccccc2C)C(C)C)n1 ZINC000179895025 1093820885 /nfs/dbraw/zinc/82/08/85/1093820885.db2.gz KNHLXTHBSCWHTJ-MRXNPFEDSA-N 1 0 303.406 3.442 10 0 DGAERO C[C@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000401661431 1093963436 /nfs/dbraw/zinc/96/34/36/1093963436.db2.gz VDUDAYBHIFDMBW-UYAOXDASSA-N 1 0 324.472 3.289 10 0 DGAERO Cc1noc(C)c1C[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401709168 1093966574 /nfs/dbraw/zinc/96/65/74/1093966574.db2.gz UOKMRFZXUGNUIK-SMDDNHRTSA-N 1 0 323.437 3.027 10 0 DGAERO C[C@@H]1SCC[C@H]1[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401708637 1093966884 /nfs/dbraw/zinc/96/68/84/1093966884.db2.gz CPKNANMLQNVRGT-ZOBORPQBSA-N 1 0 314.495 3.116 10 0 DGAERO CCOCCCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401801316 1093973163 /nfs/dbraw/zinc/97/31/63/1093973163.db2.gz NCVZPVRDDZKFHU-CABCVRRESA-N 1 0 314.470 3.038 10 0 DGAERO COc1ccccc1CCC[NH2+][C@H](c1nc(C)no1)C(C)C ZINC000182827752 1093979646 /nfs/dbraw/zinc/97/96/46/1093979646.db2.gz CDDJTOVLASSYOD-INIZCTEOSA-N 1 0 303.406 3.306 10 0 DGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CO1 ZINC000401962086 1093982291 /nfs/dbraw/zinc/98/22/91/1093982291.db2.gz XVSWODCBCKICAR-ILXRZTDVSA-N 1 0 324.465 3.076 10 0 DGAERO c1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)nc1 ZINC000403531832 1094137232 /nfs/dbraw/zinc/13/72/32/1094137232.db2.gz YOIKGDPTNAFWBX-MQVJKMGUSA-N 1 0 303.475 3.067 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+]Cc2ccccc2)CC1 ZINC000404636635 1094263270 /nfs/dbraw/zinc/26/32/70/1094263270.db2.gz JOGSADHAFUCOFQ-UHFFFAOYSA-N 1 0 304.434 3.471 10 0 DGAERO CC(C)(C)OC(=O)NCC1(CC[NH2+]C[C@@H]2CCSC2)CC1 ZINC000404680333 1094266009 /nfs/dbraw/zinc/26/60/09/1094266009.db2.gz KBJADSFNOUHPOV-ZDUSSCGKSA-N 1 0 314.495 3.024 10 0 DGAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000309951095 1094844544 /nfs/dbraw/zinc/84/45/44/1094844544.db2.gz GGKJFOADIWNEMR-RQJABVFESA-N 1 0 314.495 3.021 10 0 DGAERO O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)NCC1CCCCC1 ZINC000192355154 1096490827 /nfs/dbraw/zinc/49/08/27/1096490827.db2.gz JMGBUGWCRAQUQT-QGZVFWFLSA-N 1 0 316.445 3.056 10 0 DGAERO C[N@H+](CCCF)Cc1ccc(I)cc1 ZINC000716655967 1100338574 /nfs/dbraw/zinc/33/85/74/1100338574.db2.gz HIMGCKRMORXEMT-UHFFFAOYSA-N 1 0 307.150 3.083 10 0 DGAERO O=C1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CN1CC1CC1 ZINC000716794517 1101241333 /nfs/dbraw/zinc/24/13/33/1101241333.db2.gz LZPZOKUTILZFJW-CQSZACIVSA-N 1 0 313.228 3.094 10 0 DGAERO O=C(/C=C/c1cccs1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290045 1101659297 /nfs/dbraw/zinc/65/92/97/1101659297.db2.gz APYZUTGHGHQGEL-MVGZEHJDSA-N 1 0 304.459 3.142 10 0 DGAERO CC1CC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)C1 ZINC000717149721 1104157995 /nfs/dbraw/zinc/15/79/95/1104157995.db2.gz CEXFXHOFWCGBCY-OTTFEQOBSA-N 1 0 318.408 3.267 10 0 DGAERO CC1(C)CO[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000717587810 1104360990 /nfs/dbraw/zinc/36/09/90/1104360990.db2.gz HMNJGRMDQJERMO-NSHDSACASA-N 1 0 316.214 3.493 10 0 DGAERO O[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1Br ZINC000719403242 1104915073 /nfs/dbraw/zinc/91/50/73/1104915073.db2.gz AXZPFIWRHTYRJX-VXGBXAGGSA-N 1 0 318.642 3.496 10 0 DGAERO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C(F)(F)F ZINC000720076970 1105080337 /nfs/dbraw/zinc/08/03/37/1105080337.db2.gz HKQZTNISEJARTM-AWEZNQCLSA-N 1 0 314.351 3.062 10 0 DGAERO CC[C@H]([NH2+]Cc1sncc1Br)[C@@H]1CCCOC1 ZINC000723959150 1106492747 /nfs/dbraw/zinc/49/27/47/1106492747.db2.gz OJHGAKHEVMGIOC-KOLCDFICSA-N 1 0 319.268 3.200 10 0 DGAERO CC(C)[C@@H]1CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724096020 1106622076 /nfs/dbraw/zinc/62/20/76/1106622076.db2.gz FUFQBOUTQHOTCG-MNOVXSKESA-N 1 0 303.315 3.303 10 0 DGAERO CC(C)(C)[C@H]1CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724109424 1106627837 /nfs/dbraw/zinc/62/78/37/1106627837.db2.gz LXZVAULNFHXGCW-ONGXEEELSA-N 1 0 303.315 3.303 10 0 DGAERO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000724120565 1106629499 /nfs/dbraw/zinc/62/94/99/1106629499.db2.gz MFRWNTOTUQXVIW-STQMWFEESA-N 1 0 302.187 3.197 10 0 DGAERO CCOC1CC([NH2+]C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000379627255 1108033623 /nfs/dbraw/zinc/03/36/23/1108033623.db2.gz MQOYWIBFKBAEOD-JLAWEPINSA-N 1 0 302.462 3.198 10 0 DGAERO N#Cc1ccnnc1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000384012414 1108233556 /nfs/dbraw/zinc/23/35/56/1108233556.db2.gz QARBCXIFFJOZNA-KRWDZBQOSA-N 1 0 321.428 3.062 10 0 DGAERO C[C@H](CNc1cc(C(C)(C)C)ncn1)[N@H+](C)Cc1ccccc1 ZINC000390697295 1108677152 /nfs/dbraw/zinc/67/71/52/1108677152.db2.gz HFPCLEMCILVXIZ-OAHLLOKOSA-N 1 0 312.461 3.128 10 0 DGAERO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605932 432001892 /nfs/dbraw/zinc/00/18/92/432001892.db2.gz HTKKLNZFXFJTPT-UHFFFAOYSA-N 1 0 313.228 3.304 10 0 DGAERO C[C@H](NC(=O)N(C)C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272518547 299067225 /nfs/dbraw/zinc/06/72/25/299067225.db2.gz NNHJFIDJTSDUTI-DOTOQJQBSA-N 1 0 315.461 3.091 10 0 DGAERO Cc1ccc(CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000076554392 185022591 /nfs/dbraw/zinc/02/25/91/185022591.db2.gz QPRKMPIDISORSX-CQSZACIVSA-N 1 0 311.495 3.174 10 0 DGAERO CCO[C@@H](C)c1nc(CN2CCC([NH+]3CCCC3)CC2)cs1 ZINC000076727491 185035819 /nfs/dbraw/zinc/03/58/19/185035819.db2.gz MZUFYAHLVSEBOY-AWEZNQCLSA-N 1 0 323.506 3.301 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C/C=C/c2ccc(F)cc2)[C@H](C)C1 ZINC000081830092 192330198 /nfs/dbraw/zinc/33/01/98/192330198.db2.gz IJDFIOULZMYFBW-IJVDXJMESA-N 1 0 318.436 3.418 10 0 DGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC000305740151 231034701 /nfs/dbraw/zinc/03/47/01/231034701.db2.gz CNBGVRGAXHHOLU-YOEHRIQHSA-N 1 0 317.458 3.265 10 0 DGAERO [NH3+]CCCN(Cc1ccccc1)C(=O)c1ccc2ncccc2c1 ZINC000310036194 231111223 /nfs/dbraw/zinc/11/12/23/231111223.db2.gz GMPUTRJGEAFBIN-UHFFFAOYSA-N 1 0 319.408 3.226 10 0 DGAERO C[C@H]1CCc2c(C(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)csc2C1 ZINC000262096469 290644505 /nfs/dbraw/zinc/64/45/05/290644505.db2.gz UUQPNCVKXWPDRU-XHDPSFHLSA-N 1 0 306.475 3.072 10 0 DGAERO O[C@@H](c1ccc(Br)c2ccccc21)[C@H]1CCC[NH2+]1 ZINC000083165718 185215565 /nfs/dbraw/zinc/21/55/65/185215565.db2.gz ZERSKFQAGFSWPN-CABCVRRESA-N 1 0 306.203 3.388 10 0 DGAERO COc1cccc([C@H](C)[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000083405492 185222229 /nfs/dbraw/zinc/22/22/29/185222229.db2.gz ZFZCBDKYNDKKJH-KXBFYZLASA-N 1 0 319.445 3.416 10 0 DGAERO COc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)c2ccccc12 ZINC000129350478 432004989 /nfs/dbraw/zinc/00/49/89/432004989.db2.gz SMWUCPFRXZWVBB-ASSNKEHSSA-N 1 0 305.443 3.095 10 0 DGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1sccc1Br ZINC000087575550 185228552 /nfs/dbraw/zinc/22/85/52/185228552.db2.gz XSFJIYNYCRMHHF-GHMZBOCLSA-N 1 0 304.253 3.294 10 0 DGAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(Br)c(F)c2)cc1 ZINC000088083784 185239274 /nfs/dbraw/zinc/23/92/74/185239274.db2.gz DJFRLSAJGVKTNG-UHFFFAOYSA-N 1 0 323.165 3.299 10 0 DGAERO O=C1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCCC3)O2)[C@@H](C2CC2)N1 ZINC000328913901 231385557 /nfs/dbraw/zinc/38/55/57/231385557.db2.gz PVJATTIDQNTFPJ-YQQAZPJKSA-N 1 0 306.450 3.355 10 0 DGAERO CC[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C(C)(C)O ZINC000292934913 529625430 /nfs/dbraw/zinc/62/54/30/529625430.db2.gz HFNMQILDDNEAEM-LBPRGKRZSA-N 1 0 304.203 3.227 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000090227921 185287909 /nfs/dbraw/zinc/28/79/09/185287909.db2.gz XFRAIQLFXFJNNL-ZWKOTPCHSA-N 1 0 310.445 3.341 10 0 DGAERO c1ncn(C2CC[NH+](CCCSCc3ccccc3)CC2)n1 ZINC000090523123 185300403 /nfs/dbraw/zinc/30/04/03/185300403.db2.gz JATBPRGZAJYLAX-UHFFFAOYSA-N 1 0 316.474 3.239 10 0 DGAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000172234253 299090556 /nfs/dbraw/zinc/09/05/56/299090556.db2.gz CCSCQMFBJJCIGI-RDJZCZTQSA-N 1 0 307.482 3.225 10 0 DGAERO C[C@@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccnc1 ZINC000082119199 192357641 /nfs/dbraw/zinc/35/76/41/192357641.db2.gz NVXKTHWUEZKFSB-VQIMIIECSA-N 1 0 323.440 3.138 10 0 DGAERO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)C2(OC)CCOCC2)CCO1 ZINC000453201327 282247396 /nfs/dbraw/zinc/24/73/96/282247396.db2.gz WWNRAIUWOKFGIL-OIISXLGYSA-N 1 0 313.482 3.144 10 0 DGAERO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000444785101 529704681 /nfs/dbraw/zinc/70/46/81/529704681.db2.gz XITTYPCADFTSMH-OAHLLOKOSA-N 1 0 300.446 3.445 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(Br)c1 ZINC000092664778 185332694 /nfs/dbraw/zinc/33/26/94/185332694.db2.gz LTVRWHFDRQMEGW-HNNXBMFYSA-N 1 0 311.267 3.365 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1cccnc1 ZINC000092767257 185339125 /nfs/dbraw/zinc/33/91/25/185339125.db2.gz FFSYPQGTWJKDMC-TZMCWYRMSA-N 1 0 303.356 3.289 10 0 DGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCSc2ccccc21 ZINC000124183480 282258835 /nfs/dbraw/zinc/25/88/35/282258835.db2.gz ZCZNPJCEMVVCJV-INIZCTEOSA-N 1 0 301.459 3.406 10 0 DGAERO c1csc([C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)n1 ZINC000092788613 185341469 /nfs/dbraw/zinc/34/14/69/185341469.db2.gz MXVMMDIAWHDDGV-CYBMUJFWSA-N 1 0 302.399 3.251 10 0 DGAERO CCc1csc([C@@H]2CCC[N@@H+](Cc3cnn(CC)c3)C2)n1 ZINC000092789087 185341565 /nfs/dbraw/zinc/34/15/65/185341565.db2.gz KWYFKPOGUCGWNM-CQSZACIVSA-N 1 0 304.463 3.302 10 0 DGAERO C[NH+](C)[C@H]1CCCN(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000092938297 185349951 /nfs/dbraw/zinc/34/99/51/185349951.db2.gz GOGLALLFKCOKNE-SFHVURJKSA-N 1 0 313.420 3.414 10 0 DGAERO CN(C(=O)Nc1ccc2c(ccn2CC[NH+](C)C)c1)C1CCC1 ZINC000095403927 185355072 /nfs/dbraw/zinc/35/50/72/185355072.db2.gz OBVYZXKCDQPEGS-UHFFFAOYSA-N 1 0 314.433 3.219 10 0 DGAERO CC1(C)Cc2cc(C[N@H+]3Cc4ccccc4[C@H](O)C3)ccc2O1 ZINC000082146504 192362426 /nfs/dbraw/zinc/36/24/26/192362426.db2.gz GRHYIJAAALRKFG-GOSISDBHSA-N 1 0 309.409 3.449 10 0 DGAERO Cc1ccc(CC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000181528742 199311931 /nfs/dbraw/zinc/31/19/31/199311931.db2.gz NDSKZFFJAKJHOI-LSDHHAIUSA-N 1 0 320.502 3.368 10 0 DGAERO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccs2)cc1 ZINC000181635712 199330606 /nfs/dbraw/zinc/33/06/06/199330606.db2.gz NCXJCUPWKWICPB-ZDUSSCGKSA-N 1 0 318.442 3.066 10 0 DGAERO COc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000021520061 190647105 /nfs/dbraw/zinc/64/71/05/190647105.db2.gz NEELLEYRJFOKRM-AWEZNQCLSA-N 1 0 304.777 3.377 10 0 DGAERO Cc1ccc(C)c(OC2CC[NH+](C[C@H](O)C(F)(F)F)CC2)c1 ZINC000181656345 199334314 /nfs/dbraw/zinc/33/43/14/199334314.db2.gz HWFSPIOXDBLKJK-HNNXBMFYSA-N 1 0 317.351 3.070 10 0 DGAERO C[N@H+](CC1CC1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000434662395 529862142 /nfs/dbraw/zinc/86/21/42/529862142.db2.gz ICZGWTQYHYUAIX-OAHLLOKOSA-N 1 0 324.371 3.125 10 0 DGAERO C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000103298195 185445361 /nfs/dbraw/zinc/44/53/61/185445361.db2.gz RGRJWTDWWQVFBT-ZDUSSCGKSA-N 1 0 323.868 3.432 10 0 DGAERO C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000442884307 529977144 /nfs/dbraw/zinc/97/71/44/529977144.db2.gz XRDQZLBISHYANV-CQSZACIVSA-N 1 0 309.335 3.418 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc2cc(Cl)ccc2o1 ZINC000181781002 199352065 /nfs/dbraw/zinc/35/20/65/199352065.db2.gz CIHLYHSZPBTTDZ-GXFFZTMASA-N 1 0 306.793 3.358 10 0 DGAERO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000130014754 432012770 /nfs/dbraw/zinc/01/27/70/432012770.db2.gz DZDKCGYQGUYVRI-HNNXBMFYSA-N 1 0 319.449 3.127 10 0 DGAERO Cc1oc(-c2cccs2)nc1CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235722843 201921203 /nfs/dbraw/zinc/92/12/03/201921203.db2.gz VTSCXMNXVRVFCP-WCQYABFASA-N 1 0 305.447 3.271 10 0 DGAERO CC(C)(CCCc1ccccc1)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236589520 201928990 /nfs/dbraw/zinc/92/89/90/201928990.db2.gz SAMZZZABFSKKQR-IRXDYDNUSA-N 1 0 302.462 3.279 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000121488169 185807449 /nfs/dbraw/zinc/80/74/49/185807449.db2.gz VAVVBELVBQTCCS-HNNXBMFYSA-N 1 0 324.415 3.088 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000121508412 185810987 /nfs/dbraw/zinc/81/09/87/185810987.db2.gz GAIYAEDAOOGYCL-DOTOQJQBSA-N 1 0 317.404 3.362 10 0 DGAERO CN1C[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)CCC1=O ZINC000084062555 192399559 /nfs/dbraw/zinc/39/95/59/192399559.db2.gz JSTFHLMYMDGKAS-AAEUAGOBSA-N 1 0 310.850 3.087 10 0 DGAERO Cc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000171112282 197882802 /nfs/dbraw/zinc/88/28/02/197882802.db2.gz JHMPEDUNYBBWBU-CQSZACIVSA-N 1 0 302.443 3.066 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)sc1Cl ZINC000152413198 186070092 /nfs/dbraw/zinc/07/00/92/186070092.db2.gz WSTKBWZVVJEYEX-YUMQZZPRSA-N 1 0 307.246 3.326 10 0 DGAERO CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1nccs1 ZINC000130424208 432024839 /nfs/dbraw/zinc/02/48/39/432024839.db2.gz PZLGNLJQIRUPMI-UONOGXRCSA-N 1 0 309.479 3.221 10 0 DGAERO Fc1ccccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152412466 186069634 /nfs/dbraw/zinc/06/96/34/186069634.db2.gz CIAQFYCDSTYNRE-AWEZNQCLSA-N 1 0 300.381 3.132 10 0 DGAERO CSc1ccc(C)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155667845 186101084 /nfs/dbraw/zinc/10/10/84/186101084.db2.gz DDWNSYAMFCZLCG-BBRMVZONSA-N 1 0 306.475 3.175 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000177842305 186192031 /nfs/dbraw/zinc/19/20/31/186192031.db2.gz SXRDIXSGTVIDII-UONOGXRCSA-N 1 0 323.868 3.384 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000177842296 186192312 /nfs/dbraw/zinc/19/23/12/186192312.db2.gz SXRDIXSGTVIDII-KBPBESRZSA-N 1 0 323.868 3.384 10 0 DGAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccncc1 ZINC000173343298 186178567 /nfs/dbraw/zinc/17/85/67/186178567.db2.gz BMGBZVYOWGVXSX-IMJJTQAJSA-N 1 0 319.449 3.426 10 0 DGAERO COc1ccc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1OC ZINC000173347430 186179031 /nfs/dbraw/zinc/17/90/31/186179031.db2.gz VUPFACNKKBPMJO-LBPRGKRZSA-N 1 0 319.376 3.186 10 0 DGAERO CC(Cl)(Cl)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000181878775 186214339 /nfs/dbraw/zinc/21/43/39/186214339.db2.gz BQCHIYYBUXJLSJ-UHFFFAOYSA-N 1 0 301.217 3.415 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194238584 186271323 /nfs/dbraw/zinc/27/13/23/186271323.db2.gz TZKJOLPZFKWVTL-JKSUJKDBSA-N 1 0 312.417 3.258 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194238563 186271601 /nfs/dbraw/zinc/27/16/01/186271601.db2.gz TZKJOLPZFKWVTL-HZPDHXFCSA-N 1 0 312.417 3.258 10 0 DGAERO OCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000189953327 186254644 /nfs/dbraw/zinc/25/46/44/186254644.db2.gz AMGLHFFQJZFQEO-BXUZGUMPSA-N 1 0 316.214 3.229 10 0 DGAERO C=Cn1cc(C[NH2+]C(CC)(CC)CNC(=O)OC(C)(C)C)cn1 ZINC000194305348 186279377 /nfs/dbraw/zinc/27/93/77/186279377.db2.gz LSCBNNDVBXMLPN-UHFFFAOYSA-N 1 0 322.453 3.157 10 0 DGAERO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000279828333 186499283 /nfs/dbraw/zinc/49/92/83/186499283.db2.gz YQPRPBPRGQTIJU-ZBFHGGJFSA-N 1 0 319.449 3.125 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171886274 198000977 /nfs/dbraw/zinc/00/09/77/198000977.db2.gz MRHQDNMGUQQAPX-HNNXBMFYSA-N 1 0 301.434 3.430 10 0 DGAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H](C)Cc1ccccc1)CC2 ZINC000182042428 199378450 /nfs/dbraw/zinc/37/84/50/199378450.db2.gz WTFBOURIKOHYQW-QXAKKESOSA-N 1 0 317.473 3.117 10 0 DGAERO C[N@@H+]1CCCN(c2ccc(NC(=O)/C=C/C(C)(C)C)cc2)CC1 ZINC000172108046 198040866 /nfs/dbraw/zinc/04/08/66/198040866.db2.gz LKQZSPNULQDXGN-ZHACJKMWSA-N 1 0 315.461 3.369 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)C1CCCC1 ZINC000172170855 198051888 /nfs/dbraw/zinc/05/18/88/198051888.db2.gz BRMBCAHRZPLQMW-CABCVRRESA-N 1 0 300.446 3.128 10 0 DGAERO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000172170071 198051922 /nfs/dbraw/zinc/05/19/22/198051922.db2.gz BMBLZLGBUXYHAT-CHWSQXEVSA-N 1 0 317.433 3.140 10 0 DGAERO C[N@H+](CCC(=O)NC1CCCC1)Cc1ccc(F)cc1Cl ZINC000107064013 432027563 /nfs/dbraw/zinc/02/75/63/432027563.db2.gz TWEQLXFOQIWOGI-UHFFFAOYSA-N 1 0 312.816 3.360 10 0 DGAERO CCn1cc(C2CC[NH+](CCc3scnc3C)CC2)cn1 ZINC000172531886 198110670 /nfs/dbraw/zinc/11/06/70/198110670.db2.gz OPVOWLGHVDDXRS-UHFFFAOYSA-N 1 0 304.463 3.090 10 0 DGAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc2ncccc21 ZINC000172838810 198156460 /nfs/dbraw/zinc/15/64/60/198156460.db2.gz ZYHBZFDFGNCXSK-HNNXBMFYSA-N 1 0 311.429 3.181 10 0 DGAERO Cc1cccc([C@@H](C)[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000172840686 198156666 /nfs/dbraw/zinc/15/66/66/198156666.db2.gz WPPOTDWTNUSUFI-QGZVFWFLSA-N 1 0 310.445 3.367 10 0 DGAERO CCOC[C@H]1CCC[N@H+](Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000072976798 191261044 /nfs/dbraw/zinc/26/10/44/191261044.db2.gz MXQMSRCKWYIBSM-HNNXBMFYSA-N 1 0 315.417 3.294 10 0 DGAERO C[C@H](CCc1cccc(F)c1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173888852 198265322 /nfs/dbraw/zinc/26/53/22/198265322.db2.gz PRRMHPREJNYTDH-CRAIPNDOSA-N 1 0 318.436 3.091 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3ccn(C)c3c2)CC[N@@H+]1C ZINC000173813260 198256018 /nfs/dbraw/zinc/25/60/18/198256018.db2.gz PENJWXMHDNWPQO-CJNGLKHVSA-N 1 0 314.433 3.125 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccncc1 ZINC000173988422 198277752 /nfs/dbraw/zinc/27/77/52/198277752.db2.gz RIYJBPODSCYUHX-OAHLLOKOSA-N 1 0 309.413 3.449 10 0 DGAERO CCCCS[C@@H](C)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529468 282884059 /nfs/dbraw/zinc/88/40/59/282884059.db2.gz QAOXRAFAEYFXCK-HOTGVXAUSA-N 1 0 312.523 3.385 10 0 DGAERO Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174118312 198293629 /nfs/dbraw/zinc/29/36/29/198293629.db2.gz USAUOGZSQKXSGO-LZLYRXPVSA-N 1 0 317.477 3.050 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000174382767 198327263 /nfs/dbraw/zinc/32/72/63/198327263.db2.gz RFNIVNOBXIZNGK-JQWIXIFHSA-N 1 0 313.804 3.426 10 0 DGAERO O=C(c1ccccc1Cl)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107524780 432033294 /nfs/dbraw/zinc/03/32/94/432033294.db2.gz DSVAJXKUHAHDAL-CQSZACIVSA-N 1 0 306.837 3.431 10 0 DGAERO O=C(Cc1ccc(Cl)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107525895 432033211 /nfs/dbraw/zinc/03/32/11/432033211.db2.gz DSEJVBTWACXLGA-QGZVFWFLSA-N 1 0 320.864 3.359 10 0 DGAERO O=C(CCc1ccsc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107530173 432033760 /nfs/dbraw/zinc/03/37/60/432033760.db2.gz MJCXMRRJEQWKKW-INIZCTEOSA-N 1 0 306.475 3.158 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000174608333 198358119 /nfs/dbraw/zinc/35/81/19/198358119.db2.gz UVQVENBHUZUNSK-CMPLNLGQSA-N 1 0 313.804 3.426 10 0 DGAERO COC(=O)c1oc(C[N@H+](CCc2nccs2)C(C)C)cc1C ZINC000179053641 432035533 /nfs/dbraw/zinc/03/55/33/432035533.db2.gz KYXOYDPAQLAFAS-UHFFFAOYSA-N 1 0 322.430 3.284 10 0 DGAERO O=C(CCC1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000175780205 198509079 /nfs/dbraw/zinc/50/90/79/198509079.db2.gz FDUYHLJYNDRQQQ-UHFFFAOYSA-N 1 0 300.446 3.479 10 0 DGAERO CCC[N@H+](C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1 ZINC000003623452 181042395 /nfs/dbraw/zinc/04/23/95/181042395.db2.gz UEAKCKJAKUFIQP-OAHLLOKOSA-N 1 0 318.461 3.249 10 0 in-man DGAERO CCn1c(C[N@H+](C)C[C@@H]2CCCOC2)nc2cc(F)ccc21 ZINC000107689180 432037093 /nfs/dbraw/zinc/03/70/93/432037093.db2.gz WTDQHJSFOLHRQI-ZDUSSCGKSA-N 1 0 305.397 3.054 10 0 DGAERO OCC1([NH2+]Cc2ncc(-c3ccccc3Cl)o2)CCCC1 ZINC000179064835 432037340 /nfs/dbraw/zinc/03/73/40/432037340.db2.gz YOYYTOBEKURHDG-UHFFFAOYSA-N 1 0 306.793 3.390 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000236773114 202003375 /nfs/dbraw/zinc/00/33/75/202003375.db2.gz PQNSWEFQUQUJCR-INIZCTEOSA-N 1 0 302.462 3.244 10 0 DGAERO Cc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000176553568 198599614 /nfs/dbraw/zinc/59/96/14/198599614.db2.gz BBASGBXJAXBCJF-OAHLLOKOSA-N 1 0 304.409 3.225 10 0 DGAERO CC[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2sccc21 ZINC000725242513 563525540 /nfs/dbraw/zinc/52/55/40/563525540.db2.gz AWFOTUWZSODLJU-CZUORRHYSA-N 1 0 310.463 3.412 10 0 DGAERO CCc1nccn1[C@H]1CCC[N@H+](CCN(C)c2ccccc2)C1 ZINC000131504306 432040712 /nfs/dbraw/zinc/04/07/12/432040712.db2.gz CDMKZYFHMFOPBS-SFHVURJKSA-N 1 0 312.461 3.219 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc2ncccc21 ZINC000073418242 191315559 /nfs/dbraw/zinc/31/55/59/191315559.db2.gz ROHULGBKYCLLKV-HNNXBMFYSA-N 1 0 311.429 3.229 10 0 DGAERO Fc1ccc2c(c1)[C@H]([NH+]1CCC(n3cncn3)CC1)CCC2 ZINC000132037702 432044254 /nfs/dbraw/zinc/04/42/54/432044254.db2.gz HSHCYCPEKHCQGY-QGZVFWFLSA-N 1 0 300.381 3.132 10 0 DGAERO CCc1oc(C(=O)OC)cc1C[NH+]1CCC(OCC(C)C)CC1 ZINC000177039913 198655084 /nfs/dbraw/zinc/65/50/84/198655084.db2.gz LQAIIGUNTAECQQ-UHFFFAOYSA-N 1 0 323.433 3.266 10 0 DGAERO C[NH2+]C1CCN(C(=O)[C@@H](C)Sc2ccccc2Cl)CC1 ZINC000179143154 432045120 /nfs/dbraw/zinc/04/51/20/432045120.db2.gz ZZJNVACGFBZJGM-LLVKDONJSA-N 1 0 312.866 3.031 10 0 DGAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000073654892 191336896 /nfs/dbraw/zinc/33/68/96/191336896.db2.gz NIDFPCBMNHODCC-GOEBONIOSA-N 1 0 304.434 3.422 10 0 DGAERO CCc1nc(-c2ccc(F)cc2)nc(NC2CC[NH2+]CC2)c1C ZINC000073663001 191339631 /nfs/dbraw/zinc/33/96/31/191339631.db2.gz LPRABGNEFOCCNP-UHFFFAOYSA-N 1 0 314.408 3.317 10 0 DGAERO CCc1nc(-c2ccc(C)cc2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073685144 191341344 /nfs/dbraw/zinc/34/13/44/191341344.db2.gz KEMFCQZEFXZFLB-MRXNPFEDSA-N 1 0 310.445 3.487 10 0 DGAERO CCc1nc(-c2cccc(F)c2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073685147 191341851 /nfs/dbraw/zinc/34/18/51/191341851.db2.gz YLNBGOKJVONRES-OAHLLOKOSA-N 1 0 314.408 3.317 10 0 DGAERO C[N@@H+](Cc1ccccc1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000068048193 432050193 /nfs/dbraw/zinc/05/01/93/432050193.db2.gz UKWXFHZRBOASHW-SFHVURJKSA-N 1 0 319.832 3.350 10 0 DGAERO Cc1nc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c(C)s1 ZINC000179255992 432051362 /nfs/dbraw/zinc/05/13/62/432051362.db2.gz BBBWYPPRJOGRIZ-HNNXBMFYSA-N 1 0 317.458 3.101 10 0 DGAERO CCOc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1C ZINC000080718436 192185389 /nfs/dbraw/zinc/18/53/89/192185389.db2.gz BMXLSZQUJQOMLY-ALOPSCKCSA-N 1 0 316.445 3.139 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000473191179 283169148 /nfs/dbraw/zinc/16/91/48/283169148.db2.gz XGHIEGREVPWMRK-JKSUJKDBSA-N 1 0 321.465 3.494 10 0 DGAERO CC(C)[NH2+][C@@H](C)Cc1ccc(I)s1 ZINC000005760605 181281399 /nfs/dbraw/zinc/28/13/99/181281399.db2.gz UXCJAYXBMCWBPN-QMMMGPOBSA-N 1 0 309.216 3.282 10 0 DGAERO CCOC[C@H]1CC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000081519002 192278230 /nfs/dbraw/zinc/27/82/30/192278230.db2.gz AWDIICWVIXFZAY-AWEZNQCLSA-N 1 0 316.401 3.209 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3c(C)ccc(C)c31)CC2 ZINC000179424953 432057801 /nfs/dbraw/zinc/05/78/01/432057801.db2.gz XKDNTVJVMRFYDB-DOTOQJQBSA-N 1 0 324.472 3.439 10 0 DGAERO CSCCCC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000133126913 432058658 /nfs/dbraw/zinc/05/86/58/432058658.db2.gz UHCFQDPLNIGOMD-UHFFFAOYSA-N 1 0 308.491 3.156 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)N2CCc3ccccc32)[C@@H]1c1ccccc1 ZINC000179470552 432059260 /nfs/dbraw/zinc/05/92/60/432059260.db2.gz OJOBCBXHAWOXQV-HKUYNNGSSA-N 1 0 321.424 3.204 10 0 DGAERO O=C(NCC1(C2CC2)CCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000133246296 432059296 /nfs/dbraw/zinc/05/92/96/432059296.db2.gz XXCXYFQVLYMMKV-QGZVFWFLSA-N 1 0 319.493 3.227 10 0 DGAERO CC(C)c1ccc(C[C@@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000166291495 432059486 /nfs/dbraw/zinc/05/94/86/432059486.db2.gz ULIDATWWDFXWFT-QAPCUYQASA-N 1 0 317.477 3.087 10 0 DGAERO C[C@@H](NC(=O)C[C@H]1CCOc2ccccc21)C(C)(C)C[NH+](C)C ZINC000081731844 192317848 /nfs/dbraw/zinc/31/78/48/192317848.db2.gz YSLWCQZKJJQDJZ-HUUCEWRRSA-N 1 0 318.461 3.035 10 0 DGAERO CCCN(CC1CC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179483441 432060305 /nfs/dbraw/zinc/06/03/05/432060305.db2.gz MNLUVXILNSVIRV-ZWKOTPCHSA-N 1 0 315.461 3.263 10 0 DGAERO CC(C)(C)C[N@H+](CCCO)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179488246 432060083 /nfs/dbraw/zinc/06/00/83/432060083.db2.gz WBAYANZJMVGHLI-UHFFFAOYSA-N 1 0 301.434 3.307 10 0 DGAERO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)sc2C1 ZINC000236942778 202084857 /nfs/dbraw/zinc/08/48/57/202084857.db2.gz VDBYZCAGSMZOFI-IJLUTSLNSA-N 1 0 307.463 3.114 10 0 DGAERO C[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179482429 432060625 /nfs/dbraw/zinc/06/06/25/432060625.db2.gz JSQLBRXGQKKFFO-YALNPMBYSA-N 1 0 301.434 3.014 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(Cl)s1 ZINC000166495732 432060553 /nfs/dbraw/zinc/06/05/53/432060553.db2.gz GFBPHHDENZSKDD-NWDGAFQWSA-N 1 0 324.881 3.455 10 0 DGAERO CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C2CC[NH2+]CC2)o1 ZINC000236983969 202108925 /nfs/dbraw/zinc/10/89/25/202108925.db2.gz LSYVEDDXBDNNDW-CZUORRHYSA-N 1 0 304.434 3.141 10 0 DGAERO CCOc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1F ZINC000237053642 202135691 /nfs/dbraw/zinc/13/56/91/202135691.db2.gz XBTAFOPITQQLKS-UGFHNGPFSA-N 1 0 306.381 3.084 10 0 DGAERO CN1C[C@@H]([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CCC1=O ZINC000152451619 283203635 /nfs/dbraw/zinc/20/36/35/283203635.db2.gz OTSNJXZDFCKFBH-GXTWGEPZSA-N 1 0 324.877 3.477 10 0 DGAERO CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237096475 202151520 /nfs/dbraw/zinc/15/15/20/202151520.db2.gz UTMWVUGXJKADPU-HIFRSBDPSA-N 1 0 324.852 3.085 10 0 DGAERO Cc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)ccc1Oc1cccnc1 ZINC000179548833 432061567 /nfs/dbraw/zinc/06/15/67/432061567.db2.gz VSIMUVGQGWDQBW-GOSISDBHSA-N 1 0 323.440 3.462 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000237109573 202155397 /nfs/dbraw/zinc/15/53/97/202155397.db2.gz CICSSGZJRITNLZ-GFCCVEGCSA-N 1 0 313.353 3.053 10 0 DGAERO COc1cc(Cl)c(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000179550966 432061776 /nfs/dbraw/zinc/06/17/76/432061776.db2.gz OHEWTXKRHDXLMU-GFCCVEGCSA-N 1 0 315.244 3.282 10 0 DGAERO CCC[C@H](C(=O)N(C)Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000179546746 432062323 /nfs/dbraw/zinc/06/23/23/432062323.db2.gz VJBDXHOGSYQERK-CQSZACIVSA-N 1 0 316.367 3.394 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)c1cc(C)c(F)cc1Cl ZINC000133458140 432064817 /nfs/dbraw/zinc/06/48/17/432064817.db2.gz HETLCPSFXZUFSZ-UHFFFAOYSA-N 1 0 300.805 3.249 10 0 DGAERO Cc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)ccc1-n1cncn1 ZINC000179619494 432064399 /nfs/dbraw/zinc/06/43/99/432064399.db2.gz SIZNXYJWZKGRSH-AWEZNQCLSA-N 1 0 324.350 3.350 10 0 DGAERO O=C(Cc1cccc(Cl)c1)Nc1cccc2c1C[NH2+]CC2 ZINC000167368849 432065254 /nfs/dbraw/zinc/06/52/54/432065254.db2.gz JNUQDMLHJULCJD-UHFFFAOYSA-N 1 0 300.789 3.167 10 0 DGAERO COc1ccc([C@H](C)NC(=O)C[C@H]([NH3+])c2ccccc2)cc1F ZINC000237244171 202202971 /nfs/dbraw/zinc/20/29/71/202202971.db2.gz ULHOOPSGDQLFPF-LRDDRELGSA-N 1 0 316.376 3.102 10 0 DGAERO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(OCc2ccccc2)c1 ZINC000237269728 202211184 /nfs/dbraw/zinc/21/11/84/202211184.db2.gz BEWZQETWYYYYTI-GOSISDBHSA-N 1 0 324.424 3.090 10 0 DGAERO CC(C)n1cccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179706102 432068242 /nfs/dbraw/zinc/06/82/42/432068242.db2.gz RZPHWQJFHXPAIF-FUHWJXTLSA-N 1 0 311.429 3.244 10 0 DGAERO Cc1ccc(-c2n[nH]cc2CN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000179727824 432068361 /nfs/dbraw/zinc/06/83/61/432068361.db2.gz UFCPBUSKPCUUPU-UHFFFAOYSA-N 1 0 310.445 3.055 10 0 DGAERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccccn1 ZINC000179741530 432069405 /nfs/dbraw/zinc/06/94/05/432069405.db2.gz ZVRJUYHLAJFULL-CQSZACIVSA-N 1 0 312.417 3.123 10 0 DGAERO CCC[C@H](C(=O)N1CC=C(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000179286663 199010097 /nfs/dbraw/zinc/01/00/97/199010097.db2.gz BEVACRIMQGBFFS-QGZVFWFLSA-N 1 0 304.409 3.172 10 0 DGAERO CCC[C@@H](C(=O)Nc1ccc(-c2cnc(C)o2)cc1)[NH+](C)C ZINC000179440957 199036596 /nfs/dbraw/zinc/03/65/96/199036596.db2.gz LYAKDKNXVMZHKD-HNNXBMFYSA-N 1 0 301.390 3.319 10 0 DGAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)cc1 ZINC000179533593 199051435 /nfs/dbraw/zinc/05/14/35/199051435.db2.gz NELQOTUKOHEYIC-GDBMZVCRSA-N 1 0 309.450 3.300 10 0 DGAERO FC(F)SCc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000179549639 199053507 /nfs/dbraw/zinc/05/35/07/199053507.db2.gz DOVSMMHBDQIXBN-LLVKDONJSA-N 1 0 302.390 3.015 10 0 DGAERO COc1ccccc1/C=C/CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179645079 199069398 /nfs/dbraw/zinc/06/93/98/199069398.db2.gz MGQSEFQWLPZXJL-YOCVDRLZSA-N 1 0 300.446 3.269 10 0 DGAERO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2nccs2)CC1 ZINC000179775327 199079225 /nfs/dbraw/zinc/07/92/25/199079225.db2.gz SFKQQIFJHDMPKW-AWEZNQCLSA-N 1 0 316.474 3.458 10 0 DGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(F)ccc3C)C2)no1 ZINC000180048777 199112315 /nfs/dbraw/zinc/11/23/15/199112315.db2.gz OTVYOGHVJRZUPH-CQSZACIVSA-N 1 0 303.381 3.280 10 0 DGAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000180056015 199113324 /nfs/dbraw/zinc/11/33/24/199113324.db2.gz CUABHXZJPRFULT-AWEZNQCLSA-N 1 0 302.397 3.125 10 0 DGAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CC2 ZINC000180085457 199115572 /nfs/dbraw/zinc/11/55/72/199115572.db2.gz QQAARYGWJRZFER-DOTOQJQBSA-N 1 0 316.836 3.296 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000180127333 199120268 /nfs/dbraw/zinc/12/02/68/199120268.db2.gz QEYNYOYEUBYVHV-GOSISDBHSA-N 1 0 309.413 3.132 10 0 DGAERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C)c1 ZINC000180140840 199122102 /nfs/dbraw/zinc/12/21/02/199122102.db2.gz ZHPSEBILRAPKCV-RBUKOAKNSA-N 1 0 308.425 3.479 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000180254026 199136984 /nfs/dbraw/zinc/13/69/84/199136984.db2.gz XGOJBRUVXBUIQO-NVXWUHKLSA-N 1 0 318.461 3.114 10 0 DGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(Cl)nc1)CC2 ZINC000180520955 199170909 /nfs/dbraw/zinc/17/09/09/199170909.db2.gz BYAWMDDCBTYZTQ-YPMHNXCESA-N 1 0 319.840 3.116 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)CC2 ZINC000180501970 199168348 /nfs/dbraw/zinc/16/83/48/199168348.db2.gz WVLMJKXMRUEPSU-XHDPSFHLSA-N 1 0 320.387 3.345 10 0 DGAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000237382874 202250711 /nfs/dbraw/zinc/25/07/11/202250711.db2.gz CCHLCMDRAASIKL-HIFRSBDPSA-N 1 0 314.385 3.414 10 0 DGAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180729747 199202605 /nfs/dbraw/zinc/20/26/05/199202605.db2.gz PWGCNQPZGOLZOA-NSHDSACASA-N 1 0 321.845 3.343 10 0 DGAERO C[C@H]1C[N@H+](CCOc2ccc(Br)cc2)CCS1 ZINC000134344312 432076615 /nfs/dbraw/zinc/07/66/15/432076615.db2.gz NRAZCRGKZZFGIX-NSHDSACASA-N 1 0 316.264 3.265 10 0 DGAERO C[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)N1CCOCC1 ZINC000179995375 432076627 /nfs/dbraw/zinc/07/66/27/432076627.db2.gz AVKRHFQKDFFDCT-CXAGYDPISA-N 1 0 308.853 3.101 10 0 DGAERO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(Cl)nc1 ZINC000180832542 199215732 /nfs/dbraw/zinc/21/57/32/199215732.db2.gz TXKVOEOQUUZEPA-NSHDSACASA-N 1 0 323.849 3.267 10 0 DGAERO Cc1ccccc1[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000180851622 199218395 /nfs/dbraw/zinc/21/83/95/199218395.db2.gz DHQSQTQCLLWPDH-PXNSSMCTSA-N 1 0 318.424 3.281 10 0 DGAERO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)c2ccccc21 ZINC000180927802 199229091 /nfs/dbraw/zinc/22/90/91/199229091.db2.gz IHKGWERWIJITGL-MAUKXSAKSA-N 1 0 322.456 3.458 10 0 DGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(O)c(OC)c2)C12CCC2 ZINC000180094102 432078173 /nfs/dbraw/zinc/07/81/73/432078173.db2.gz ZCZSUQDUPNUYIQ-IAGOWNOFSA-N 1 0 305.418 3.180 10 0 DGAERO C[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000180041938 432077593 /nfs/dbraw/zinc/07/75/93/432077593.db2.gz GGMKGEUYEUNEBD-QGZVFWFLSA-N 1 0 310.441 3.086 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000180133758 432079119 /nfs/dbraw/zinc/07/91/19/432079119.db2.gz YSEHSTPXYVQKDD-SFHVURJKSA-N 1 0 321.428 3.246 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000180133780 432079318 /nfs/dbraw/zinc/07/93/18/432079318.db2.gz YSEHSTPXYVQKDD-GOSISDBHSA-N 1 0 321.428 3.246 10 0 DGAERO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000170763042 432079933 /nfs/dbraw/zinc/07/99/33/432079933.db2.gz KAJBUHRESLYSAI-AHRSYUTCSA-N 1 0 311.425 3.052 10 0 DGAERO CN(Cc1c[nH]c(-c2ccccc2)n1)[C@H]1CCCc2c1cnn2C ZINC000180209557 432081041 /nfs/dbraw/zinc/08/10/41/432081041.db2.gz UYFHIBYIBOQWHW-KRWDZBQOSA-N 1 0 321.428 3.320 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C12CCOCC2 ZINC000186195821 199926612 /nfs/dbraw/zinc/92/66/12/199926612.db2.gz QAGJCJOZDCUXJX-JKSUJKDBSA-N 1 0 309.837 3.404 10 0 DGAERO CC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000170827806 432082858 /nfs/dbraw/zinc/08/28/58/432082858.db2.gz IFZJXIBSIFXSBJ-CABCVRRESA-N 1 0 309.841 3.137 10 0 DGAERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000170827809 432083184 /nfs/dbraw/zinc/08/31/84/432083184.db2.gz IFZJXIBSIFXSBJ-HUUCEWRRSA-N 1 0 309.841 3.137 10 0 DGAERO CSCCCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000134668788 432083241 /nfs/dbraw/zinc/08/32/41/432083241.db2.gz HJQKVECBNRCYDF-KBPBESRZSA-N 1 0 300.512 3.002 10 0 DGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000186717919 199997121 /nfs/dbraw/zinc/99/71/21/199997121.db2.gz WRPZTGITIOOPDI-KBXCAEBGSA-N 1 0 310.397 3.207 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000186778734 200009558 /nfs/dbraw/zinc/00/95/58/200009558.db2.gz MQPAOLPTWHSYAX-DYVFJYSZSA-N 1 0 314.454 3.046 10 0 DGAERO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000089640635 192832790 /nfs/dbraw/zinc/83/27/90/192832790.db2.gz MNPPPBPNHGLKRX-GUYCJALGSA-N 1 0 314.454 3.391 10 0 DGAERO C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)CC1(CO)CC1 ZINC000186758562 200005427 /nfs/dbraw/zinc/00/54/27/200005427.db2.gz NVPILUIESPCMOS-UHFFFAOYSA-N 1 0 324.424 3.143 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000089732858 192852443 /nfs/dbraw/zinc/85/24/43/192852443.db2.gz RJGGBEWAJMJHTD-ZIAGYGMSSA-N 1 0 302.447 3.166 10 0 DGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000186837926 200019730 /nfs/dbraw/zinc/01/97/30/200019730.db2.gz URLLGXWPCIRGTR-RDTXWAMCSA-N 1 0 310.397 3.207 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C(C)C)c(OCC[NH+](C)C)c1 ZINC000186879891 200026347 /nfs/dbraw/zinc/02/63/47/200026347.db2.gz YQJDQFXDKCXNMN-HUUCEWRRSA-N 1 0 304.434 3.166 10 0 DGAERO Cc1ccc(-c2ccsc2C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000186880424 200026353 /nfs/dbraw/zinc/02/63/53/200026353.db2.gz OZYACCMTWRCZRK-CJNGLKHVSA-N 1 0 314.454 3.451 10 0 DGAERO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)C1 ZINC000186984369 200043461 /nfs/dbraw/zinc/04/34/61/200043461.db2.gz OLVKMSMUOLWXNF-LBPRGKRZSA-N 1 0 311.376 3.214 10 0 DGAERO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170834655 432084324 /nfs/dbraw/zinc/08/43/24/432084324.db2.gz LFPRZUKUXAYBFX-DOTOQJQBSA-N 1 0 317.477 3.088 10 0 DGAERO CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000187792275 200157700 /nfs/dbraw/zinc/15/77/00/200157700.db2.gz AYQYVIVAPWMLLC-CVEARBPZSA-N 1 0 317.477 3.464 10 0 DGAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000187810487 200159586 /nfs/dbraw/zinc/15/95/86/200159586.db2.gz ZSNOHEWDCZTXRJ-SUMWQHHRSA-N 1 0 303.377 3.089 10 0 DGAERO Cc1nccnc1[C@@H](C)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000187759928 200153384 /nfs/dbraw/zinc/15/33/84/200153384.db2.gz VYULLBZZCHWHSY-AEFFLSMTSA-N 1 0 310.445 3.100 10 0 DGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2coc(-c3cccs3)n2)C1 ZINC000187948329 200181641 /nfs/dbraw/zinc/18/16/41/200181641.db2.gz PEVDKBMPHCQSTJ-MLGOLLRUSA-N 1 0 306.431 3.386 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(Cl)c2)[C@H](C)C1 ZINC000187952614 200182438 /nfs/dbraw/zinc/18/24/38/200182438.db2.gz FHKXXAFIVCPZHS-PWSUYJOCSA-N 1 0 300.855 3.204 10 0 DGAERO CC[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000187967077 200184158 /nfs/dbraw/zinc/18/41/58/200184158.db2.gz WSIXPYHVJWGKFU-SUMWQHHRSA-N 1 0 321.440 3.217 10 0 DGAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-c2ccncc2)cc1 ZINC000237523490 202271017 /nfs/dbraw/zinc/27/10/17/202271017.db2.gz FLMAORKFLRQHIV-ZOCIIQOWSA-N 1 0 323.440 3.443 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC[C@@H]2c3ccccc3NC2=O)cc1 ZINC000180398905 432085430 /nfs/dbraw/zinc/08/54/30/432085430.db2.gz GRRJFBDATZSQTN-SUMWQHHRSA-N 1 0 310.397 3.472 10 0 DGAERO C[C@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CCCc2ccccc21 ZINC000237564516 202284894 /nfs/dbraw/zinc/28/48/94/202284894.db2.gz AOQFEJFAMGEWQH-ICSRJNTNSA-N 1 0 308.425 3.097 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000188095803 200192748 /nfs/dbraw/zinc/19/27/48/200192748.db2.gz IMRWHOVTYWHNJA-NHYWBVRUSA-N 1 0 304.825 3.468 10 0 DGAERO Cc1cc(Cl)ccc1OCCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237612774 202303490 /nfs/dbraw/zinc/30/34/90/202303490.db2.gz QQLNSZUDJMELIS-HIFRSBDPSA-N 1 0 324.852 3.051 10 0 DGAERO CSCCCCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000188254668 200217062 /nfs/dbraw/zinc/21/70/62/200217062.db2.gz QPQFCXTWPXWFLL-MRXNPFEDSA-N 1 0 323.506 3.122 10 0 DGAERO Cc1nc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2s1 ZINC000237717034 202336762 /nfs/dbraw/zinc/33/67/62/202336762.db2.gz MHXQMCWORUADMY-ZLDLUXBVSA-N 1 0 315.442 3.464 10 0 DGAERO [NH3+][C@H](CC(=O)NCc1ccccc1OC1CCC1)c1ccccc1 ZINC000237861081 202372172 /nfs/dbraw/zinc/37/21/72/202372172.db2.gz XPAMPPZHJBQXKN-GOSISDBHSA-N 1 0 324.424 3.324 10 0 DGAERO Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000134879659 432087417 /nfs/dbraw/zinc/08/74/17/432087417.db2.gz JHHQKZZOBHDBCL-CRAIPNDOSA-N 1 0 323.440 3.091 10 0 DGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189278433 200375172 /nfs/dbraw/zinc/37/51/72/200375172.db2.gz YTMNPDJUBWETBK-SQNIBIBYSA-N 1 0 310.445 3.422 10 0 DGAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCCc2cccc(C)c2)C1 ZINC000189328439 200382705 /nfs/dbraw/zinc/38/27/05/200382705.db2.gz BBPGRBSGVNBSDL-DLBZAZTESA-N 1 0 315.417 3.081 10 0 DGAERO c1csc([C@H](Cc2ccncc2)[NH2+]CC2=CCOCC2)c1 ZINC000424342021 237894401 /nfs/dbraw/zinc/89/44/01/237894401.db2.gz CBAJYCHHDXYZMF-INIZCTEOSA-N 1 0 300.427 3.363 10 0 DGAERO COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180486022 432088645 /nfs/dbraw/zinc/08/86/45/432088645.db2.gz RCXSNPOPUVZTEO-OALUTQOASA-N 1 0 320.477 3.093 10 0 DGAERO C[C@H](CCc1ccccc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000170940727 432088680 /nfs/dbraw/zinc/08/86/80/432088680.db2.gz RBWPFSMUDFXQCN-MRXNPFEDSA-N 1 0 310.445 3.374 10 0 DGAERO COC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000170962701 432088871 /nfs/dbraw/zinc/08/88/71/432088871.db2.gz NLHSJRYEGCTPAI-CQSZACIVSA-N 1 0 304.434 3.425 10 0 DGAERO CCC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)C[C@H]1CCCCO1 ZINC000170958381 432088904 /nfs/dbraw/zinc/08/89/04/432088904.db2.gz IBVJIJHSAVZWDN-CQSZACIVSA-N 1 0 309.406 3.156 10 0 DGAERO COC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000170961934 432089187 /nfs/dbraw/zinc/08/91/87/432089187.db2.gz UXZBXESWWIBHGB-AWEZNQCLSA-N 1 0 304.434 3.282 10 0 DGAERO COCC[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000180554774 432089813 /nfs/dbraw/zinc/08/98/13/432089813.db2.gz UFPGTGGCKJSJLV-VQTJNVASSA-N 1 0 313.441 3.462 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(Cl)c(C)c1 ZINC000246060095 432090320 /nfs/dbraw/zinc/09/03/20/432090320.db2.gz RDCRTJLJMLVFTR-KGLIPLIRSA-N 1 0 322.840 3.134 10 0 DGAERO O[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000189790029 432091110 /nfs/dbraw/zinc/09/11/10/432091110.db2.gz XRPQQVJUFOGMJI-KBPBESRZSA-N 1 0 303.324 3.021 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)CC3 ZINC000180590942 432091211 /nfs/dbraw/zinc/09/12/11/432091211.db2.gz CWOZQRNOSUQDPD-IIDMSEBBSA-N 1 0 312.457 3.474 10 0 DGAERO O=C(C[C@@H]1CCCc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170980693 432091255 /nfs/dbraw/zinc/09/12/55/432091255.db2.gz PQSYLXPPCZHJPY-ZWKOTPCHSA-N 1 0 312.457 3.193 10 0 DGAERO CN(CC1CC[NH+](C)CC1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000170981354 432091278 /nfs/dbraw/zinc/09/12/78/432091278.db2.gz PBKHEQSRRFCLHZ-GOSISDBHSA-N 1 0 314.473 3.297 10 0 DGAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncc(C(F)(F)F)cc3Cl)C[C@@H]21 ZINC000230134309 283580052 /nfs/dbraw/zinc/58/00/52/283580052.db2.gz ISGINJLKFFDHFC-UBHAPETDSA-N 1 0 319.758 3.317 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc3ccccc3o1)CC2 ZINC000180623236 432092497 /nfs/dbraw/zinc/09/24/97/432092497.db2.gz MHUCGYHSMHSLRO-JSGCOSHPSA-N 1 0 310.401 3.252 10 0 DGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000180612475 432092716 /nfs/dbraw/zinc/09/27/16/432092716.db2.gz POMYAPNIQBKHBG-ZFWWWQNUSA-N 1 0 316.836 3.086 10 0 DGAERO c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449684683 240368603 /nfs/dbraw/zinc/36/86/03/240368603.db2.gz LUUYJFZGTGCZJX-QGZVFWFLSA-N 1 0 315.442 3.208 10 0 DGAERO CCC[C@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccn1 ZINC000180640824 432093418 /nfs/dbraw/zinc/09/34/18/432093418.db2.gz LQSHCOLYQUXGRA-ZBFHGGJFSA-N 1 0 313.449 3.242 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000170986344 432093340 /nfs/dbraw/zinc/09/33/40/432093340.db2.gz XZVQHTCSBPYHBM-IAGOWNOFSA-N 1 0 318.461 3.245 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Cl)nc1)CC2 ZINC000180647513 432094461 /nfs/dbraw/zinc/09/44/61/432094461.db2.gz RWTVYSXWWVLPJM-DGCLKSJQSA-N 1 0 319.840 3.116 10 0 DGAERO O=C1NCCc2ccc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)cc21 ZINC000436399316 238444995 /nfs/dbraw/zinc/44/49/95/238444995.db2.gz DKYYNWOMGGMEPB-RTBURBONSA-N 1 0 320.436 3.398 10 0 DGAERO COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000192842222 200951327 /nfs/dbraw/zinc/95/13/27/200951327.db2.gz APCZWUUSNIZFMK-OAHLLOKOSA-N 1 0 318.461 3.301 10 0 DGAERO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([C@H](C)OC)c2)C1 ZINC000246103312 432095757 /nfs/dbraw/zinc/09/57/57/432095757.db2.gz IFIVOEFGXZHIQR-LSDHHAIUSA-N 1 0 319.449 3.247 10 0 DGAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000262601339 283639087 /nfs/dbraw/zinc/63/90/87/283639087.db2.gz CRSYBWRZMJUUQH-OLZOCXBDSA-N 1 0 302.393 3.112 10 0 DGAERO C[C@H]([NH3+])CCC(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000193270144 201017198 /nfs/dbraw/zinc/01/71/98/201017198.db2.gz XGNQFLCSKSORGJ-LPHOPBHVSA-N 1 0 310.441 3.257 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2ccccc2)s1 ZINC000246112752 432096205 /nfs/dbraw/zinc/09/62/05/432096205.db2.gz NTUWGFJRUWYKJZ-HOCLYGCPSA-N 1 0 313.470 3.479 10 0 DGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000193498845 201063988 /nfs/dbraw/zinc/06/39/88/201063988.db2.gz FITMGKPMFMEWQP-HNAYVOBHSA-N 1 0 308.425 3.148 10 0 DGAERO C[C@@H]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC000246117109 432097423 /nfs/dbraw/zinc/09/74/23/432097423.db2.gz IDRHSYYBQSLSMC-NQMMUZQISA-N 1 0 307.482 3.126 10 0 DGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)s1 ZINC000194339167 201205961 /nfs/dbraw/zinc/20/59/61/201205961.db2.gz SMSUWVDLMZONEB-KBPBESRZSA-N 1 0 316.474 3.420 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194340451 201206763 /nfs/dbraw/zinc/20/67/63/201206763.db2.gz DOBRJBIQTUHTGW-UHFFFAOYSA-N 1 0 314.433 3.410 10 0 DGAERO CC[C@@H]1C[N@@H+]([C@H](C)CN2CCOCC2)CC[C@H]1c1ccccc1 ZINC000246111672 432097498 /nfs/dbraw/zinc/09/74/98/432097498.db2.gz PRODZIOZHGWIMU-QWFCFKBJSA-N 1 0 316.489 3.223 10 0 DGAERO c1coc(-c2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)no2)c1 ZINC000441234114 239026861 /nfs/dbraw/zinc/02/68/61/239026861.db2.gz VENMMSMKYUMWCZ-KGLIPLIRSA-N 1 0 302.374 3.183 10 0 DGAERO c1cn(C2CCCC2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441280673 239032034 /nfs/dbraw/zinc/03/20/34/239032034.db2.gz SOCHICUSVQUOHS-JKSUJKDBSA-N 1 0 303.450 3.247 10 0 DGAERO C[C@H](C1CC1)[N@H+](Cc1ccc2c(c1)sc(=O)n2C)C1CC1 ZINC000194990400 201323168 /nfs/dbraw/zinc/32/31/68/201323168.db2.gz NCHOFCZGHLXYCO-LLVKDONJSA-N 1 0 302.443 3.363 10 0 DGAERO CS[C@H]1CCCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000195045582 201332204 /nfs/dbraw/zinc/33/22/04/201332204.db2.gz GYBMCGMUMGZARL-ZDUSSCGKSA-N 1 0 322.499 3.318 10 0 DGAERO COc1cc(OC)cc([C@@H]2CCN(Cc3nccs3)C2)c1 ZINC000135135956 432099792 /nfs/dbraw/zinc/09/97/92/432099792.db2.gz MQNCAWKLUYCYAM-GFCCVEGCSA-N 1 0 304.415 3.150 10 0 DGAERO OCCC1([NH2+]Cc2nc(-c3ccccc3F)no2)CCCCC1 ZINC000444565195 239298816 /nfs/dbraw/zinc/29/88/16/239298816.db2.gz ADTRWZVUBXBMIQ-UHFFFAOYSA-N 1 0 319.380 3.051 10 0 DGAERO C[NH+](C)C1(CNC(=O)N2CCCC23CCC3)CCCCCC1 ZINC000444891726 239368334 /nfs/dbraw/zinc/36/83/34/239368334.db2.gz YCOCZSYYHOIVBV-UHFFFAOYSA-N 1 0 307.482 3.369 10 0 DGAERO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)Cc2cccs2)cc1 ZINC000071270629 283742338 /nfs/dbraw/zinc/74/23/38/283742338.db2.gz SLBLRDCUWPHQNF-HUUCEWRRSA-N 1 0 305.443 3.017 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1SCCc2sccc21 ZINC000246168063 432101585 /nfs/dbraw/zinc/10/15/85/432101585.db2.gz IWKNOIUMECFUEO-SWLSCSKDSA-N 1 0 324.515 3.069 10 0 DGAERO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)Sc1ccccc1 ZINC000246938172 202630638 /nfs/dbraw/zinc/63/06/38/202630638.db2.gz WTLLADXXZRGQRQ-SRABZTEZSA-N 1 0 318.486 3.204 10 0 DGAERO CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246165245 432102101 /nfs/dbraw/zinc/10/21/01/432102101.db2.gz KXIBGWRZNXVHPE-HZMVEIRTSA-N 1 0 309.498 3.469 10 0 DGAERO CC[C@@H](C)Oc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000171081363 432101958 /nfs/dbraw/zinc/10/19/58/432101958.db2.gz AAKKRCSSYJQQEM-HIFRSBDPSA-N 1 0 305.422 3.032 10 0 DGAERO Cc1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)ccc1Cl ZINC000180894941 432103614 /nfs/dbraw/zinc/10/36/14/432103614.db2.gz PQCZWJSIQVTGGN-HNNXBMFYSA-N 1 0 316.836 3.197 10 0 DGAERO CSCC1CCC([NH2+][C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000449121286 240027844 /nfs/dbraw/zinc/02/78/44/240027844.db2.gz HCQYRSXIMJFIHK-DQPZFDDXSA-N 1 0 318.486 3.303 10 0 DGAERO c1cc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)n(C2CCCC2)n1 ZINC000449127214 240029843 /nfs/dbraw/zinc/02/98/43/240029843.db2.gz OLCASXDMBWUWMQ-MRXNPFEDSA-N 1 0 310.445 3.367 10 0 DGAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)o1 ZINC000275396895 212308746 /nfs/dbraw/zinc/30/87/46/212308746.db2.gz CESCYXYOEAKANM-ZFHGCVPZSA-N 1 0 315.417 3.004 10 0 DGAERO OC[C@H](C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000449178567 240052449 /nfs/dbraw/zinc/05/24/49/240052449.db2.gz XPICKKBLSYNWLR-ZFWWWQNUSA-N 1 0 321.342 3.457 10 0 DGAERO COc1cccc(CC[NH2+]C2CCC(OC3CCCC3)CC2)n1 ZINC000449194724 240063156 /nfs/dbraw/zinc/06/31/56/240063156.db2.gz XYEZTNWAFOOOOY-UHFFFAOYSA-N 1 0 318.461 3.493 10 0 DGAERO CO[C@H](C)[C@H](C)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449268097 240101128 /nfs/dbraw/zinc/10/11/28/240101128.db2.gz DMKHXLLRUXXMGR-UONOGXRCSA-N 1 0 304.459 3.441 10 0 DGAERO COc1cc(F)cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000449315568 240128502 /nfs/dbraw/zinc/12/85/02/240128502.db2.gz IXNDFYCGBXUETA-ZDUSSCGKSA-N 1 0 317.364 3.084 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1cccs1 ZINC000171111057 432104826 /nfs/dbraw/zinc/10/48/26/432104826.db2.gz UXBHECQJLZKIHD-CYBMUJFWSA-N 1 0 300.427 3.378 10 0 DGAERO C[C@H](CCO)CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449358207 240155133 /nfs/dbraw/zinc/15/51/33/240155133.db2.gz MOICPSFURATTKN-AWEZNQCLSA-N 1 0 307.434 3.140 10 0 DGAERO O=C(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246193732 432105171 /nfs/dbraw/zinc/10/51/71/432105171.db2.gz TTXYUVJGJFZGPN-PKOBYXMFSA-N 1 0 312.457 3.208 10 0 DGAERO CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449719800 240381806 /nfs/dbraw/zinc/38/18/06/240381806.db2.gz HYQOEJZKFOBJFL-INMHGKMJSA-N 1 0 318.461 3.211 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@]2(CCC[NH2+]2)C1 ZINC000091303094 193035815 /nfs/dbraw/zinc/03/58/15/193035815.db2.gz JJNPTJKXUZDPPW-CRAIPNDOSA-N 1 0 302.418 3.143 10 0 DGAERO CC(C)[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 ZINC000091347343 193044713 /nfs/dbraw/zinc/04/47/13/193044713.db2.gz XAUASNXQILRMSZ-MJGOQNOKSA-N 1 0 312.461 3.376 10 0 DGAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091539338 193070604 /nfs/dbraw/zinc/07/06/04/193070604.db2.gz HQZQRPRRYFQCSS-ONGXEEELSA-N 1 0 301.217 3.079 10 0 DGAERO Cc1cc2ncc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c(C)n2n1 ZINC000091727453 193098199 /nfs/dbraw/zinc/09/81/99/193098199.db2.gz IYLSKQKNULCBCP-KSSFIOAISA-N 1 0 318.465 3.184 10 0 DGAERO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091744665 193100573 /nfs/dbraw/zinc/10/05/73/193100573.db2.gz FAJALIBOQJQVBW-NUTKFTJISA-N 1 0 322.836 3.068 10 0 DGAERO Cc1c(NC(=O)N2CC[C@H]([NH+](C)C)C2)cccc1C(F)(F)F ZINC000135235963 432107464 /nfs/dbraw/zinc/10/74/64/432107464.db2.gz RACKSJOVOQUIIR-NSHDSACASA-N 1 0 315.339 3.182 10 0 DGAERO CC(C)Cc1ncc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)s1 ZINC000091856962 193118482 /nfs/dbraw/zinc/11/84/82/193118482.db2.gz FRLLSJOGSCBBMQ-KBPBESRZSA-N 1 0 312.504 3.048 10 0 DGAERO c1c(CN2CCC[C@@H]([NH+]3CCCC3)C2)[nH]nc1-c1ccccc1 ZINC000092047544 193147672 /nfs/dbraw/zinc/14/76/72/193147672.db2.gz IEFGCKOXIVEWKU-GOSISDBHSA-N 1 0 310.445 3.137 10 0 DGAERO CC(C)[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451292981 241073066 /nfs/dbraw/zinc/07/30/66/241073066.db2.gz FVNLCLUBLWELNQ-NSHDSACASA-N 1 0 322.396 3.358 10 0 DGAERO CS[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000451321577 241081751 /nfs/dbraw/zinc/08/17/51/241081751.db2.gz CUUIQUCPMHJETG-CHWSQXEVSA-N 1 0 319.392 3.046 10 0 DGAERO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180966713 432108338 /nfs/dbraw/zinc/10/83/38/432108338.db2.gz NTQMNHRUILGLLJ-UONOGXRCSA-N 1 0 314.385 3.206 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000246223509 432109076 /nfs/dbraw/zinc/10/90/76/432109076.db2.gz DHQZKNNQJQMGNV-VAMGGRTRSA-N 1 0 320.436 3.064 10 0 DGAERO Cc1[nH]c2ccccc2c1C(=O)CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452111750 241320666 /nfs/dbraw/zinc/32/06/66/241320666.db2.gz CXDJWBGZAMIBDO-OAHLLOKOSA-N 1 0 313.445 3.074 10 0 DGAERO c1ccc(CC2([NH2+]CC[C@H]3CCCCO3)CCOCC2)cc1 ZINC000451942884 241281060 /nfs/dbraw/zinc/28/10/60/241281060.db2.gz HFCMEBSRZONGCH-GOSISDBHSA-N 1 0 303.446 3.327 10 0 DGAERO CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000171177855 432110027 /nfs/dbraw/zinc/11/00/27/432110027.db2.gz BTHWFJTYXYOTBK-GJZGRUSLSA-N 1 0 319.449 3.390 10 0 DGAERO COC1([C@H](C)[NH2+]CC(C)(C)c2cccc(C)c2)CCOCC1 ZINC000453099802 241624997 /nfs/dbraw/zinc/62/49/97/241624997.db2.gz ZKPPDFTVNBVXRC-INIZCTEOSA-N 1 0 305.462 3.446 10 0 DGAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000453363216 241743525 /nfs/dbraw/zinc/74/35/25/241743525.db2.gz KZPWSUWQYWBFEY-GDAAHCPNSA-N 1 0 303.446 3.295 10 0 DGAERO CC/C=C\CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000455296501 242161160 /nfs/dbraw/zinc/16/11/60/242161160.db2.gz IQUPUBWTNJDQRN-KBSCQGNFSA-N 1 0 321.490 3.396 10 0 DGAERO C/C(=C\c1ccccc1)C[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000092079491 193155015 /nfs/dbraw/zinc/15/50/15/193155015.db2.gz JQRFJSGCLQOLJF-UWXVCKHVSA-N 1 0 314.473 3.275 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)c1scnc1C1CC1)C1CCCCC1 ZINC000090011515 283980855 /nfs/dbraw/zinc/98/08/55/283980855.db2.gz MHTIPRRFMRFJOX-CQSZACIVSA-N 1 0 321.490 3.261 10 0 DGAERO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000093684676 284013972 /nfs/dbraw/zinc/01/39/72/284013972.db2.gz JLGDOMIUQZEGHE-QGZVFWFLSA-N 1 0 315.461 3.499 10 0 DGAERO CC(C)(C)c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000093817811 284013985 /nfs/dbraw/zinc/01/39/85/284013985.db2.gz WUGXMWOHJFNLCP-HNNXBMFYSA-N 1 0 322.518 3.200 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc2ccn(C)c21 ZINC000190037079 432116485 /nfs/dbraw/zinc/11/64/85/432116485.db2.gz MDNIARAWCKJVRF-OAHLLOKOSA-N 1 0 314.433 3.126 10 0 DGAERO CN(C)C[C@H](Cc1ccccc1)[NH2+]CC1=Cc2ccccc2OC1 ZINC000102423807 284022226 /nfs/dbraw/zinc/02/22/26/284022226.db2.gz AUIFEHOBLMZTPG-FQEVSTJZSA-N 1 0 322.452 3.225 10 0 DGAERO CSc1ccsc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000246291380 432116694 /nfs/dbraw/zinc/11/66/94/432116694.db2.gz NHBRKNOVFHOKPC-RYUDHWBXSA-N 1 0 310.488 3.026 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C)c2)cc1F ZINC000102698663 284023588 /nfs/dbraw/zinc/02/35/88/284023588.db2.gz JHFKZBDZLRGDTO-CYBMUJFWSA-N 1 0 316.376 3.432 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000102687768 284023649 /nfs/dbraw/zinc/02/36/49/284023649.db2.gz DRWQAYFUUZDCPH-MBHSVXNSSA-N 1 0 310.388 3.310 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(F)c2)cc1F ZINC000102699066 284023747 /nfs/dbraw/zinc/02/37/47/284023747.db2.gz BWWRNFGSJZBJOX-LLVKDONJSA-N 1 0 320.339 3.263 10 0 DGAERO CCOCCN1CC[N@H+](CCCc2ccccc2)C[C@H]1CC ZINC000106117586 284043394 /nfs/dbraw/zinc/04/33/94/284043394.db2.gz BHUMFYZSTWRJBY-LJQANCHMSA-N 1 0 304.478 3.052 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CCCCCC3)CC[C@H]21 ZINC000459020242 243227485 /nfs/dbraw/zinc/22/74/85/243227485.db2.gz KUBFQYAIMQLOIW-DLBZAZTESA-N 1 0 307.482 3.083 10 0 DGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2Cc2ccccc2)C1 ZINC000108331708 284059840 /nfs/dbraw/zinc/05/98/40/284059840.db2.gz MYUVRIBQUYFDDL-GOSISDBHSA-N 1 0 322.452 3.349 10 0 DGAERO CCOc1cccc(CC[NH2+][C@@H]2C[C@H](OCC)[C@H]2SC)c1 ZINC000459440620 243371220 /nfs/dbraw/zinc/37/12/20/243371220.db2.gz MMYMNQVQNIKDPQ-IKGGRYGDSA-N 1 0 309.475 3.126 10 0 DGAERO C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000247186307 296125281 /nfs/dbraw/zinc/12/52/81/296125281.db2.gz VMRBKCSDMDGCEB-DLBZAZTESA-N 1 0 312.461 3.397 10 0 DGAERO Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000111104145 284076194 /nfs/dbraw/zinc/07/61/94/284076194.db2.gz LJPHDVRTSRVSQZ-QGZVFWFLSA-N 1 0 318.461 3.050 10 0 DGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([C@H](C)OC)c2)C1 ZINC000246321941 432118230 /nfs/dbraw/zinc/11/82/30/432118230.db2.gz AOHOSNDEJDLFQY-GJZGRUSLSA-N 1 0 319.449 3.200 10 0 DGAERO CCCCOc1cc(C[NH+]2CCC([C@@H](C)O)CC2)ccc1OC ZINC000092969984 193190404 /nfs/dbraw/zinc/19/04/04/193190404.db2.gz INUNJOWMVUOBAI-OAHLLOKOSA-N 1 0 321.461 3.467 10 0 DGAERO c1c(CC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)nc2ccccn12 ZINC000462799568 243690095 /nfs/dbraw/zinc/69/00/95/243690095.db2.gz ZNUAMDKIERUUBK-YESZJQIVSA-N 1 0 313.445 3.062 10 0 DGAERO Cc1cc(C[NH+]2CCC([C@H](C)O)CC2)c(OC(F)F)cc1C ZINC000092970792 193190045 /nfs/dbraw/zinc/19/00/45/193190045.db2.gz AVEKIFBHAAXJSU-ZDUSSCGKSA-N 1 0 313.388 3.498 10 0 DGAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1Cl ZINC000113579490 284102976 /nfs/dbraw/zinc/10/29/76/284102976.db2.gz CLNSCBISSHOCQR-MELADBBJSA-N 1 0 321.852 3.279 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(-c2ccco2)n1 ZINC000246310825 432118702 /nfs/dbraw/zinc/11/87/02/432118702.db2.gz QSLONTALJSRXEO-CABCVRRESA-N 1 0 317.458 3.462 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2CC(C)C)CC1 ZINC000466090108 243892463 /nfs/dbraw/zinc/89/24/63/243892463.db2.gz FWRZICGYTAFVTE-QGZVFWFLSA-N 1 0 309.498 3.329 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@@]2(CC=CCC2)C1)C[NH+]1CCCC1 ZINC000114589832 284109860 /nfs/dbraw/zinc/10/98/60/284109860.db2.gz VCUILYNXORMGDI-HKUYNNGSSA-N 1 0 319.493 3.250 10 0 DGAERO Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261660622 203088732 /nfs/dbraw/zinc/08/87/32/203088732.db2.gz FRAVGTUIBBXCDW-DOMZBBRYSA-N 1 0 322.474 3.330 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc3ccn(C)c32)C1 ZINC000190069877 432119033 /nfs/dbraw/zinc/11/90/33/432119033.db2.gz SJUZOFNFSHQTRM-CJNGLKHVSA-N 1 0 314.433 3.029 10 0 DGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000468113710 244022117 /nfs/dbraw/zinc/02/21/17/244022117.db2.gz QVKVBQGUQJHQEB-DBDQLMEASA-N 1 0 312.457 3.374 10 0 DGAERO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000116397372 284120968 /nfs/dbraw/zinc/12/09/68/284120968.db2.gz FXRLEISAKZOYLV-OLZOCXBDSA-N 1 0 310.486 3.384 10 0 DGAERO COc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000470946042 244196164 /nfs/dbraw/zinc/19/61/64/244196164.db2.gz OFPFAWBXWLMZHZ-BXUZGUMPSA-N 1 0 303.324 3.347 10 0 DGAERO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000470942630 244197786 /nfs/dbraw/zinc/19/77/86/244197786.db2.gz CUFDQGLOPSAHNQ-GXFFZTMASA-N 1 0 301.308 3.246 10 0 DGAERO CCC[C@@](C)([NH3+])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000262098378 203198967 /nfs/dbraw/zinc/19/89/67/203198967.db2.gz CCEXBQFJLGTOFS-GOSISDBHSA-N 1 0 316.401 3.452 10 0 DGAERO CO[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000471759091 244241396 /nfs/dbraw/zinc/24/13/96/244241396.db2.gz KBBWRGZMMUSPAI-IOASZLSFSA-N 1 0 304.390 3.388 10 0 DGAERO C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000093134891 193207445 /nfs/dbraw/zinc/20/74/45/193207445.db2.gz QLXDJWUVQBLXDW-CQSZACIVSA-N 1 0 318.465 3.032 10 0 DGAERO C[C@@H]1Cc2ccccc2N1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119067702 284133236 /nfs/dbraw/zinc/13/32/36/284133236.db2.gz ZOEQXLMIVXZQTF-HPUBIQBYSA-N 1 0 315.461 3.268 10 0 DGAERO CC(C)[C@@H]1CCCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119060093 284133414 /nfs/dbraw/zinc/13/34/14/284133414.db2.gz VDCZLMUZBCXDAN-JCYILVPMSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC1CCCCC1)C1CCC(F)(F)CC1 ZINC000474071228 244365573 /nfs/dbraw/zinc/36/55/73/244365573.db2.gz FBDYSFJTCXRFAP-GFCCVEGCSA-N 1 0 302.409 3.239 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CSCc2ccccc2)C1 ZINC000246324939 432120218 /nfs/dbraw/zinc/12/02/18/432120218.db2.gz CLYVVESJMHAGNC-NVXWUHKLSA-N 1 0 320.502 3.156 10 0 DGAERO C[C@@H](NC(=O)NCCCc1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000119455463 284143405 /nfs/dbraw/zinc/14/34/05/284143405.db2.gz NDTLFLSRFJIQSK-CQSZACIVSA-N 1 0 323.456 3.034 10 0 DGAERO CCC[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000093168769 193211341 /nfs/dbraw/zinc/21/13/41/193211341.db2.gz AHHAYYXFFGGTHK-SNVBAGLBSA-N 1 0 304.463 3.240 10 0 DGAERO CCC(CC)[C@@H](CNC(=O)c1cc(N)ccc1C)[NH+]1CCCC1 ZINC000262401440 203284774 /nfs/dbraw/zinc/28/47/74/203284774.db2.gz REJLZOOQARGDLK-GOSISDBHSA-N 1 0 317.477 3.208 10 0 DGAERO CC(C)(C)C[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000119731059 284150303 /nfs/dbraw/zinc/15/03/03/284150303.db2.gz SONNNTSJNOFCCL-UHFFFAOYSA-N 1 0 323.238 3.370 10 0 DGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1C ZINC000119805269 284152869 /nfs/dbraw/zinc/15/28/69/284152869.db2.gz NJDYZENCYRTWDP-GFCCVEGCSA-N 1 0 324.469 3.085 10 0 DGAERO Cc1ccc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)o1 ZINC000093321289 193231798 /nfs/dbraw/zinc/23/17/98/193231798.db2.gz ULDOOGGCKWDMOS-UHFFFAOYSA-N 1 0 304.434 3.249 10 0 DGAERO CC[C@H]([NH2+]CCCN1CCCC1=O)c1cc(C)ccc1OC ZINC000093370051 193240146 /nfs/dbraw/zinc/24/01/46/193240146.db2.gz QULWPSZBRXESAK-INIZCTEOSA-N 1 0 304.434 3.057 10 0 DGAERO CCCOc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000093437560 193251826 /nfs/dbraw/zinc/25/18/26/193251826.db2.gz RZYSJCXYKZUOHL-DOTOQJQBSA-N 1 0 318.461 3.153 10 0 DGAERO c1ncc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)[nH]1 ZINC000093387192 193242615 /nfs/dbraw/zinc/24/26/15/193242615.db2.gz MDCMSUFUZJMKJD-HNNXBMFYSA-N 1 0 307.401 3.179 10 0 DGAERO CSc1ccc(C)c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000120242501 284163664 /nfs/dbraw/zinc/16/36/64/284163664.db2.gz IANQZLSGXAHLIR-AWEZNQCLSA-N 1 0 308.491 3.423 10 0 DGAERO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(C)C ZINC000093643861 193280229 /nfs/dbraw/zinc/28/02/29/193280229.db2.gz IXCKAJKJUPDDBP-NVXWUHKLSA-N 1 0 320.477 3.397 10 0 DGAERO COc1c(C[N@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)c(C)nn1C ZINC000093531935 193265368 /nfs/dbraw/zinc/26/53/68/193265368.db2.gz QOOBVDYALQCQCU-LBPRGKRZSA-N 1 0 321.852 3.454 10 0 DGAERO COCCOc1ccccc1C[N@H+](C)CCc1ncc(C)s1 ZINC000093807333 193310873 /nfs/dbraw/zinc/31/08/73/193310873.db2.gz UGIBWSSNTOWNDD-UHFFFAOYSA-N 1 0 320.458 3.151 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3cccn3C)C2)c1 ZINC000093838120 193315224 /nfs/dbraw/zinc/31/52/24/193315224.db2.gz CZYYLTQGSSMGNY-CQSZACIVSA-N 1 0 300.402 3.032 10 0 DGAERO C[N@@H+](Cc1cc(F)cc(Br)c1)C[C@H]1CCCO1 ZINC000093938884 193330133 /nfs/dbraw/zinc/33/01/33/193330133.db2.gz GASKZMUZLUXRTJ-CYBMUJFWSA-N 1 0 302.187 3.199 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1F ZINC000120933787 284182326 /nfs/dbraw/zinc/18/23/26/284182326.db2.gz YXARCMLUTVPJNG-CJNGLKHVSA-N 1 0 321.367 3.364 10 0 DGAERO CC(C)C1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000121283575 284193326 /nfs/dbraw/zinc/19/33/26/284193326.db2.gz AKJARCAEZOKSBB-OTBWCIGPSA-N 1 0 309.498 3.325 10 0 DGAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000121609201 284202030 /nfs/dbraw/zinc/20/20/30/284202030.db2.gz BJUJQPXRPRXXCD-LSDHHAIUSA-N 1 0 306.450 3.287 10 0 DGAERO C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)C[C@H]1CC=CCC1 ZINC000121710592 284204211 /nfs/dbraw/zinc/20/42/11/284204211.db2.gz AGNOBEOXEOXWPB-IRXDYDNUSA-N 1 0 320.502 3.410 10 0 DGAERO Cc1n[nH]c(C)c1C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000121803613 284206319 /nfs/dbraw/zinc/20/63/19/284206319.db2.gz JGTAYKWZANOWCL-IBGZPJMESA-N 1 0 312.461 3.171 10 0 DGAERO Cc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1F ZINC000121962799 284209798 /nfs/dbraw/zinc/20/97/98/284209798.db2.gz BDJYGDOGVRZLSK-UHFFFAOYSA-N 1 0 321.440 3.054 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1 ZINC000007817273 181500660 /nfs/dbraw/zinc/50/06/60/181500660.db2.gz ZNJCGAYIEZCFLV-HNNXBMFYSA-N 1 0 314.454 3.270 10 0 DGAERO CC[C@@]1(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000122016782 284211360 /nfs/dbraw/zinc/21/13/60/284211360.db2.gz LHLGUMOVDJBUBK-AWEZNQCLSA-N 1 0 300.324 3.485 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000122007858 284211434 /nfs/dbraw/zinc/21/14/34/284211434.db2.gz SACZNLJAXALCRK-UHFFFAOYSA-N 1 0 317.433 3.131 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000246353489 432122266 /nfs/dbraw/zinc/12/22/66/432122266.db2.gz FVGQSOOACNOIDS-ANQUJSFKSA-N 1 0 309.498 3.183 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1SCCc2ccccc21 ZINC000487859720 245115251 /nfs/dbraw/zinc/11/52/51/245115251.db2.gz OTJFEKBZCCGQEH-IAGOWNOFSA-N 1 0 318.486 3.008 10 0 DGAERO CC(=O)N1CCN(CCc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000488196837 245160114 /nfs/dbraw/zinc/16/01/14/245160114.db2.gz MUXKOFZPARETOC-LLVKDONJSA-N 1 0 315.244 3.089 10 0 DGAERO COc1ccccc1-c1nc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)cs1 ZINC000488733333 245225300 /nfs/dbraw/zinc/22/53/00/245225300.db2.gz OVSPBXCFBLRZLQ-QWHCGFSZSA-N 1 0 318.442 3.021 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C(C)C)s2)[C@@H](C)C1 ZINC000246371606 432123348 /nfs/dbraw/zinc/12/33/48/432123348.db2.gz OAZNMOQAFYZNRW-QWHCGFSZSA-N 1 0 309.479 3.069 10 0 DGAERO Cc1ccc(OCCC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1C ZINC000123889324 284248005 /nfs/dbraw/zinc/24/80/05/284248005.db2.gz ZZFBPCWXSZNPEI-MSOLQXFVSA-N 1 0 304.478 3.487 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)CCCc1ccc(F)c(F)c1 ZINC000124784081 284264192 /nfs/dbraw/zinc/26/41/92/284264192.db2.gz DQNQRBUGXBXEOU-UHFFFAOYSA-N 1 0 312.404 3.136 10 0 DGAERO C[NH+](C)C1(CNc2nncc(-c3ccccc3)n2)CCCCC1 ZINC000012315779 181749059 /nfs/dbraw/zinc/74/90/59/181749059.db2.gz GCWZGEAJHCPDOF-UHFFFAOYSA-N 1 0 311.433 3.215 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(C(C)(C)C)cc1 ZINC000125535885 284278199 /nfs/dbraw/zinc/27/81/99/284278199.db2.gz QFGHNTRBPMJKIM-KXBFYZLASA-N 1 0 305.462 3.424 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)NCCC2=CCCC2)c1 ZINC000125797758 284284489 /nfs/dbraw/zinc/28/44/89/284284489.db2.gz SLVUYTUNZDPNAZ-UHFFFAOYSA-N 1 0 315.461 3.438 10 0 DGAERO c1sc(C2CCCCC2)nc1CN1CC[NH+](C2CC2)CC1 ZINC000125841133 284285624 /nfs/dbraw/zinc/28/56/24/284285624.db2.gz FUQJTMAAOFEKCC-UHFFFAOYSA-N 1 0 305.491 3.471 10 0 DGAERO Cc1ccc(/C=C/CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246375327 432125079 /nfs/dbraw/zinc/12/50/79/432125079.db2.gz IIRJTEQJFIASBQ-OZZQIWQLSA-N 1 0 300.446 3.339 10 0 DGAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000282485589 217032463 /nfs/dbraw/zinc/03/24/63/217032463.db2.gz VRCGCDSNCZTHSV-HNAYVOBHSA-N 1 0 324.424 3.022 10 0 DGAERO O=C(CN1CCc2c3ccccc3[nH]c2C1)Nc1ccccc1F ZINC000126503817 284307404 /nfs/dbraw/zinc/30/74/04/284307404.db2.gz JIQATKWTLXZRJM-UHFFFAOYSA-N 1 0 323.371 3.304 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCC2=CCCC2)C1 ZINC000126575357 284309765 /nfs/dbraw/zinc/30/97/65/284309765.db2.gz KXVCPSDBAWPWDH-KRWDZBQOSA-N 1 0 307.482 3.154 10 0 DGAERO CC[C@H](CC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000126607738 284311198 /nfs/dbraw/zinc/31/11/98/284311198.db2.gz WKWIAPOVNRPAQO-NVXWUHKLSA-N 1 0 318.461 3.179 10 0 DGAERO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000190148225 432125963 /nfs/dbraw/zinc/12/59/63/432125963.db2.gz WGQDLXWZGMQDRB-DMRZNYOFSA-N 1 0 305.422 3.132 10 0 DGAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000127606019 284345604 /nfs/dbraw/zinc/34/56/04/284345604.db2.gz KIPZDUGGFCTWAR-MFKMUULPSA-N 1 0 318.642 3.353 10 0 DGAERO FC(F)Oc1ccc(CN2CC[NH+](C3CC3)CC2)cc1Cl ZINC000127959239 284359042 /nfs/dbraw/zinc/35/90/42/284359042.db2.gz LTYRQLWOJQCFQP-UHFFFAOYSA-N 1 0 316.779 3.221 10 0 DGAERO Cc1c(F)cccc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000128097134 284363231 /nfs/dbraw/zinc/36/32/31/284363231.db2.gz AHPPJLQPJYUTDZ-CQSZACIVSA-N 1 0 307.413 3.376 10 0 DGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2c(C)nn(C)c2C)C12CCCCC2 ZINC000181440913 432129054 /nfs/dbraw/zinc/12/90/54/432129054.db2.gz SKKUGUHOOKOMCG-MSOLQXFVSA-N 1 0 319.493 3.297 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246416051 432129246 /nfs/dbraw/zinc/12/92/46/432129246.db2.gz SGXAMKLPIMNCAC-RYRKJORJSA-N 1 0 317.477 3.223 10 0 DGAERO Cc1nc(CC(C)C)oc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000190187629 432129357 /nfs/dbraw/zinc/12/93/57/432129357.db2.gz BHDKASOODHDUND-KBPBESRZSA-N 1 0 321.465 3.032 10 0 DGAERO COc1ccc(/C=C/CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000019223291 182107941 /nfs/dbraw/zinc/10/79/41/182107941.db2.gz RTOIBERIKJDDSY-JXTAAOLFSA-N 1 0 300.446 3.269 10 0 DGAERO CC[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1nc(C)cs1 ZINC000246431809 432130201 /nfs/dbraw/zinc/13/02/01/432130201.db2.gz MZDZXNAUZGRCRK-KGLIPLIRSA-N 1 0 324.494 3.076 10 0 DGAERO NC(=[NH2+])c1cccc(OCc2cccc(Br)c2)c1 ZINC000019432591 182122979 /nfs/dbraw/zinc/12/29/79/182122979.db2.gz GJYSAXJGJYJZJO-UHFFFAOYSA-N 1 0 305.175 3.312 10 0 DGAERO Cc1ccc(NC(=O)c2ccc(C[NH3+])cc2)c(Br)c1 ZINC000019512726 182126840 /nfs/dbraw/zinc/12/68/40/182126840.db2.gz CJAAXJPFJAZJQJ-UHFFFAOYSA-N 1 0 319.202 3.469 10 0 DGAERO [NH3+][C@@H](CC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000019482310 182125308 /nfs/dbraw/zinc/12/53/08/182125308.db2.gz AMJLSNAGQCXYHF-ZDUSSCGKSA-N 1 0 319.202 3.478 10 0 DGAERO COc1cc(OC)cc(O[C@@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000019671124 182135153 /nfs/dbraw/zinc/13/51/53/182135153.db2.gz AKVNULBZZBAEAJ-INIZCTEOSA-N 1 0 307.777 3.436 10 0 DGAERO CC[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1nc(C)cs1 ZINC000246431823 432131335 /nfs/dbraw/zinc/13/13/35/432131335.db2.gz MZDZXNAUZGRCRK-ZIAGYGMSSA-N 1 0 324.494 3.076 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)c2cc3c(s2)CCC3)CC1 ZINC000129536481 284413252 /nfs/dbraw/zinc/41/32/52/284413252.db2.gz CUPCWKKAHNBXMM-UHFFFAOYSA-N 1 0 306.475 3.087 10 0 DGAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1c(C)cc(Br)cc1C ZINC000020033032 182182026 /nfs/dbraw/zinc/18/20/26/182182026.db2.gz JTUPEDIIOGOWNF-UFBFGSQYSA-N 1 0 313.239 3.378 10 0 DGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1c(C)cc(Br)cc1C ZINC000020033028 182182181 /nfs/dbraw/zinc/18/21/81/182182181.db2.gz JTUPEDIIOGOWNF-PELKAZGASA-N 1 0 313.239 3.378 10 0 DGAERO COc1ccc(CN(C)[C@H](C[NH3+])c2ccccc2Cl)cc1 ZINC000020225921 182198636 /nfs/dbraw/zinc/19/86/36/182198636.db2.gz BEYOLWCNJKTZPW-QGZVFWFLSA-N 1 0 304.821 3.480 10 0 DGAERO CCN(Cc1ccccc1)[C@H](C[NH3+])c1cc(OC)ccc1OC ZINC000020226443 182198916 /nfs/dbraw/zinc/19/89/16/182198916.db2.gz FVXIKCDMPJTYIO-GOSISDBHSA-N 1 0 314.429 3.226 10 0 DGAERO COc1cccc([C@@H](C[NH3+])N(C)Cc2ccccc2Cl)c1 ZINC000020225810 182198977 /nfs/dbraw/zinc/19/89/77/182198977.db2.gz HITAXOYVHGFNHM-QGZVFWFLSA-N 1 0 304.821 3.480 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCc2ccco2)C1 ZINC000129939487 284427678 /nfs/dbraw/zinc/42/76/78/284427678.db2.gz QYBPRZKJJAWPES-AWEZNQCLSA-N 1 0 308.422 3.059 10 0 DGAERO CC[C@@]1(C)CN(Cc2ncc(-c3cccc(F)c3)o2)CCO1 ZINC000135691553 432133692 /nfs/dbraw/zinc/13/36/92/432133692.db2.gz HYKAGHCBWRUYGY-KRWDZBQOSA-N 1 0 304.365 3.482 10 0 DGAERO COc1ccc([C@@H](C)CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000246465403 432133723 /nfs/dbraw/zinc/13/37/23/432133723.db2.gz WICKLGQKODEZDV-HOTGVXAUSA-N 1 0 318.461 3.179 10 0 DGAERO COc1ccc(Cl)cc1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000021517337 182277331 /nfs/dbraw/zinc/27/73/31/182277331.db2.gz XVPQSGHISRBIFT-CYBMUJFWSA-N 1 0 304.777 3.377 10 0 DGAERO CC(C)[N@H+](C)[C@@H](C)C(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000021810235 182292281 /nfs/dbraw/zinc/29/22/81/182292281.db2.gz LOUNQINDDUUPIK-QMMMGPOBSA-N 1 0 304.221 3.243 10 0 DGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246457231 432134396 /nfs/dbraw/zinc/13/43/96/432134396.db2.gz POQQJVMPOGYGRG-VNHYZAJKSA-N 1 0 307.507 3.401 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000246458472 432134553 /nfs/dbraw/zinc/13/45/53/432134553.db2.gz YSTRKTFBCOPCEM-SWLSCSKDSA-N 1 0 324.490 3.005 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)CCCC(F)(F)F)CC1 ZINC000494789106 246191543 /nfs/dbraw/zinc/19/15/43/246191543.db2.gz YCQKVKAAOBURNJ-ZDUSSCGKSA-N 1 0 321.387 3.059 10 0 DGAERO C[C@@H]([NH2+]C1CC(F)(F)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495905161 246325588 /nfs/dbraw/zinc/32/55/88/246325588.db2.gz LNKGLCVLLNTRHN-VXGBXAGGSA-N 1 0 318.408 3.409 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000246483917 432135976 /nfs/dbraw/zinc/13/59/76/432135976.db2.gz RCWMKJOGMZQRHH-WMZOPIPTSA-N 1 0 317.477 3.175 10 0 DGAERO CCC[C@H](C(=O)Nc1ncc(-c2ccccc2)s1)[NH+](C)C ZINC000135769093 432136076 /nfs/dbraw/zinc/13/60/76/432136076.db2.gz GIZWRXCYDDFINQ-CYBMUJFWSA-N 1 0 303.431 3.479 10 0 DGAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(F)c(Cl)c1)[NH+](C)C ZINC000138572609 284524764 /nfs/dbraw/zinc/52/47/64/284524764.db2.gz GURQXOAHCPMYPW-YGRLFVJLSA-N 1 0 300.805 3.387 10 0 DGAERO C[C@H](C1CC1)n1nccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000246492103 432138305 /nfs/dbraw/zinc/13/83/05/432138305.db2.gz PHNZTNMVGLZEGD-OGHNNQOOSA-N 1 0 312.417 3.129 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000246503259 432138997 /nfs/dbraw/zinc/13/89/97/432138997.db2.gz SQNVSAIKAZYRMM-HOCLYGCPSA-N 1 0 309.498 3.327 10 0 DGAERO C[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CC[C@H]1c1ccccc1 ZINC000246518290 432139459 /nfs/dbraw/zinc/13/94/59/432139459.db2.gz BPQBXFDRZGOQEM-BPQIPLTHSA-N 1 0 305.462 3.288 10 0 DGAERO C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CC[C@H]1c1ccccc1 ZINC000246518300 432139954 /nfs/dbraw/zinc/13/99/54/432139954.db2.gz BPQBXFDRZGOQEM-KBAYOESNSA-N 1 0 305.462 3.288 10 0 DGAERO Cc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1Cl ZINC000246535603 432141968 /nfs/dbraw/zinc/14/19/68/432141968.db2.gz VBUKAGWZAJPXQS-OCCSQVGLSA-N 1 0 309.841 3.499 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)nc1 ZINC000246537940 432142273 /nfs/dbraw/zinc/14/22/73/432142273.db2.gz VRYOSEBMZKMXQQ-LNSITVRQSA-N 1 0 312.866 3.440 10 0 DGAERO C[NH2+]Cc1ccccc1NC(=O)Cc1c(F)cccc1Cl ZINC000036280468 182812294 /nfs/dbraw/zinc/81/22/94/182812294.db2.gz CBXCPOWCBCULOG-UHFFFAOYSA-N 1 0 306.768 3.380 10 0 DGAERO CCc1ccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)o1 ZINC000151340775 284559969 /nfs/dbraw/zinc/55/99/69/284559969.db2.gz VRASEIIQXMOMEI-LBPRGKRZSA-N 1 0 305.809 3.259 10 0 DGAERO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000037042874 182863824 /nfs/dbraw/zinc/86/38/24/182863824.db2.gz LELHRYHDNLEXSG-MFKMUULPSA-N 1 0 300.324 3.025 10 0 DGAERO Cc1ccc(Br)cc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000037043908 182864001 /nfs/dbraw/zinc/86/40/01/182864001.db2.gz SPTPWTXXIWXQQT-UHFFFAOYSA-N 1 0 319.202 3.469 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCSc3ccccc3)[C@H]2C1 ZINC000246554836 432143749 /nfs/dbraw/zinc/14/37/49/432143749.db2.gz LMJFVTIHXARTIP-PVAVHDDUSA-N 1 0 307.459 3.047 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc4ccccc4o3)[C@H]2C1 ZINC000246563451 432143877 /nfs/dbraw/zinc/14/38/77/432143877.db2.gz LSOBWHOXWRCJTE-HFTRVMKXSA-N 1 0 301.386 3.201 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H](C)CC[C@H]2C)C1 ZINC000246556103 432144577 /nfs/dbraw/zinc/14/45/77/432144577.db2.gz XQVSRISVNFTFBW-BRWVUGGUSA-N 1 0 309.498 3.184 10 0 DGAERO CC(C)(C)c1nc(CN2CCC[C@H]2Cn2ccnc2)cs1 ZINC000136081379 432144854 /nfs/dbraw/zinc/14/48/54/432144854.db2.gz OHIHWANQUSNNTD-AWEZNQCLSA-N 1 0 304.463 3.302 10 0 DGAERO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000136136584 432144876 /nfs/dbraw/zinc/14/48/76/432144876.db2.gz DGXLMEVHGDDCAD-CQSZACIVSA-N 1 0 300.381 3.132 10 0 DGAERO COc1cccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000136127911 432145360 /nfs/dbraw/zinc/14/53/60/432145360.db2.gz RICWRLUEMGWCGJ-OAHLLOKOSA-N 1 0 312.417 3.001 10 0 DGAERO CSc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246598430 432146798 /nfs/dbraw/zinc/14/67/98/432146798.db2.gz ZIBYLBKCXMNOMI-TZMCWYRMSA-N 1 0 307.463 3.259 10 0 DGAERO CC[NH+](CC)CCCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000079114913 284601685 /nfs/dbraw/zinc/60/16/85/284601685.db2.gz ZLJIIRZHKDMMKJ-STQMWFEESA-N 1 0 323.403 3.139 10 0 DGAERO CC(C)[NH2+]CCC(=O)Nc1c(F)cc(F)cc1Br ZINC000037618291 182914393 /nfs/dbraw/zinc/91/43/93/182914393.db2.gz GKKYIMSGNJIQMB-UHFFFAOYSA-N 1 0 321.165 3.054 10 0 DGAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1C[C@@H]1C1CC1 ZINC000246610798 432149129 /nfs/dbraw/zinc/14/91/29/432149129.db2.gz WXVKZIXOWJNZOJ-OTWHNJEPSA-N 1 0 312.457 3.203 10 0 DGAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000153166055 284659745 /nfs/dbraw/zinc/65/97/45/284659745.db2.gz MWDLPEFCCKIIPB-GDBMZVCRSA-N 1 0 316.445 3.360 10 0 DGAERO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)c(OC)c2)c1 ZINC000153235297 284662995 /nfs/dbraw/zinc/66/29/95/284662995.db2.gz OUCPGZIFPLBUFJ-GFCCVEGCSA-N 1 0 316.376 3.045 10 0 DGAERO Cc1c(C[NH2+]C(C)C)cnn1-c1cccc(Br)c1 ZINC000042355857 183257633 /nfs/dbraw/zinc/25/76/33/183257633.db2.gz WLQPGOYQHYXBSA-UHFFFAOYSA-N 1 0 308.223 3.441 10 0 DGAERO CC(C)C[C@H]([NH3+])CN(C)Cc1cc(Br)cs1 ZINC000042402393 183263964 /nfs/dbraw/zinc/26/39/64/183263964.db2.gz WRESJDYKRCNDLN-NSHDSACASA-N 1 0 305.285 3.316 10 0 DGAERO C[NH+](C)CC1CCC(NC(=O)CCc2ccc(F)cc2F)CC1 ZINC000153379041 284669111 /nfs/dbraw/zinc/66/91/11/284669111.db2.gz QNLDMRPVRAWHSM-UHFFFAOYSA-N 1 0 324.415 3.134 10 0 DGAERO CC[C@@H](C)N(CCOC)c1cc(Br)ccc1C[NH3+] ZINC000042588524 183288722 /nfs/dbraw/zinc/28/87/22/183288722.db2.gz PZIUMFKHPATILW-LLVKDONJSA-N 1 0 315.255 3.159 10 0 DGAERO c1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)CC2 ZINC000171597757 432150288 /nfs/dbraw/zinc/15/02/88/432150288.db2.gz VUYDYCGXFQTAIY-MOPGFXCFSA-N 1 0 318.424 3.167 10 0 DGAERO C[C@H](N(C)[C@@H](C[NH3+])c1ccc(Br)o1)C(C)(C)C ZINC000042742316 183304582 /nfs/dbraw/zinc/30/45/82/183304582.db2.gz VLXBCTCVQLRNJY-UWVGGRQHSA-N 1 0 303.244 3.408 10 0 DGAERO Cc1cc(C)n([C@@H](c2ccc(Br)cc2)[C@H](C)[NH3+])n1 ZINC000042955882 183322943 /nfs/dbraw/zinc/32/29/43/183322943.db2.gz AJMUYDCHTRNBPZ-SMDDNHRTSA-N 1 0 308.223 3.199 10 0 DGAERO CCOC(=O)CS[C@H](c1cccc(Cl)c1)[C@H]([NH3+])CC ZINC000043019558 183329049 /nfs/dbraw/zinc/32/90/49/183329049.db2.gz QREGFLALUNLJKX-TZMCWYRMSA-N 1 0 301.839 3.415 10 0 DGAERO C[C@@H]([NH3+])[C@H](OCC(F)(F)F)c1cccc(Br)c1 ZINC000043022338 183329515 /nfs/dbraw/zinc/32/95/15/183329515.db2.gz RWTOCRRBIUUSSV-XCBNKYQSSA-N 1 0 312.129 3.416 10 0 DGAERO C[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1ccccc1Br ZINC000043094650 183337548 /nfs/dbraw/zinc/33/75/48/183337548.db2.gz PFRRHLSKFHQPJC-UHIISALHSA-N 1 0 314.223 3.033 10 0 DGAERO c1ccc([C@H]2CC[NH2+]C[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000044019663 183392526 /nfs/dbraw/zinc/39/25/26/183392526.db2.gz VUYNWBMXOQBJAI-DOTOQJQBSA-N 1 0 311.381 3.187 10 0 DGAERO Cc1cc2cc(NC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)ccc2[nH]1 ZINC000105038665 194066574 /nfs/dbraw/zinc/06/65/74/194066574.db2.gz MPKRNGKXAVPYCF-INIZCTEOSA-N 1 0 312.417 3.178 10 0 DGAERO C[C@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1cccc(Cl)c1 ZINC000105080512 194070922 /nfs/dbraw/zinc/07/09/22/194070922.db2.gz BSISFDUDXREERO-RYUDHWBXSA-N 1 0 309.841 3.183 10 0 DGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3cccnn3)C1)CCC2 ZINC000180929548 284737860 /nfs/dbraw/zinc/73/78/60/284737860.db2.gz QAVQQDUCOVJSRS-IEBWSBKVSA-N 1 0 322.456 3.421 10 0 DGAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccs1 ZINC000105170778 194080219 /nfs/dbraw/zinc/08/02/19/194080219.db2.gz BACZREAEJGPKAF-KGLIPLIRSA-N 1 0 307.463 3.079 10 0 DGAERO C[C@H](c1ccccc1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863134 194149357 /nfs/dbraw/zinc/14/93/57/194149357.db2.gz QXIALFLQFCGJPR-QGZVFWFLSA-N 1 0 312.461 3.041 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1F)CC2 ZINC000105874289 194153128 /nfs/dbraw/zinc/15/31/28/194153128.db2.gz PKBLDNLGKBDRKX-OLZOCXBDSA-N 1 0 302.397 3.206 10 0 DGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)CC2 ZINC000105874349 194153286 /nfs/dbraw/zinc/15/32/86/194153286.db2.gz VPNASQNWFXSKNM-WCQYABFASA-N 1 0 320.387 3.345 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)CC2 ZINC000105874321 194153644 /nfs/dbraw/zinc/15/36/44/194153644.db2.gz FQNCPLPMXHMMNV-RYUDHWBXSA-N 1 0 320.387 3.345 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000105884776 194156504 /nfs/dbraw/zinc/15/65/04/194156504.db2.gz RUOXHSLLAHQQKK-MRXNPFEDSA-N 1 0 318.852 3.461 10 0 DGAERO Cc1cc(C)cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000106083252 194183869 /nfs/dbraw/zinc/18/38/69/194183869.db2.gz XMWFEHYQSFPOPW-UHFFFAOYSA-N 1 0 310.445 3.194 10 0 DGAERO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000106075235 194184475 /nfs/dbraw/zinc/18/44/75/194184475.db2.gz ISTXEDKBNIGVBH-SFHVURJKSA-N 1 0 310.445 3.194 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000106216635 194191166 /nfs/dbraw/zinc/19/11/66/194191166.db2.gz QJKORUBDGOSXHD-OAHLLOKOSA-N 1 0 317.408 3.430 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000049949148 183764594 /nfs/dbraw/zinc/76/45/94/183764594.db2.gz CTYRXXJYQYGPNG-QWHCGFSZSA-N 1 0 302.187 3.245 10 0 DGAERO C[C@@H](C(=O)NCCCc1cccc(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000109700378 194279706 /nfs/dbraw/zinc/27/97/06/194279706.db2.gz ADZMTFMZSCMQEB-ZNMIVQPWSA-N 1 0 306.425 3.136 10 0 DGAERO CCC[NH2+][C@H](CCc1cc(Br)cs1)COC ZINC000051696184 183834497 /nfs/dbraw/zinc/83/44/97/183834497.db2.gz NHOZABPLLTXXMC-LLVKDONJSA-N 1 0 306.269 3.458 10 0 DGAERO C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000245785692 284843887 /nfs/dbraw/zinc/84/38/87/284843887.db2.gz VVLQRIUMDYFUQJ-KURKYZTESA-N 1 0 324.509 3.305 10 0 DGAERO O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000053156673 183890140 /nfs/dbraw/zinc/89/01/40/183890140.db2.gz WQISGZCLLOKVAJ-UGFHNGPFSA-N 1 0 310.800 3.016 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000110449444 194331391 /nfs/dbraw/zinc/33/13/91/194331391.db2.gz YHBFCNHKALLLOQ-RBUKOAKNSA-N 1 0 308.425 3.282 10 0 DGAERO [NH3+][C@@H](Cc1ccccn1)Cc1ccc(F)cc1Br ZINC000053818130 183913530 /nfs/dbraw/zinc/91/35/30/183913530.db2.gz FYLRYUITZJDBRR-GFCCVEGCSA-N 1 0 309.182 3.096 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nc(C3CC3)no2)C(C)C)C1(C)C ZINC000245905635 284852710 /nfs/dbraw/zinc/85/27/10/284852710.db2.gz OMXCNYNIOBHYNJ-MCIONIFRSA-N 1 0 307.438 3.437 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nc(C3CC3)no2)C(C)C)C1(C)C ZINC000245905643 284852786 /nfs/dbraw/zinc/85/27/86/284852786.db2.gz OMXCNYNIOBHYNJ-MJBXVCDLSA-N 1 0 307.438 3.437 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000245955640 284858524 /nfs/dbraw/zinc/85/85/24/284858524.db2.gz XEWGSYPVSDFQCN-DOPJRALCSA-N 1 0 321.509 3.397 10 0 DGAERO CCN1CC[C@H]([NH2+][C@H](C)COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246018022 284861828 /nfs/dbraw/zinc/86/18/28/284861828.db2.gz LDDFIZXFXQIIPG-RLCCDNCMSA-N 1 0 314.832 3.239 10 0 DGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc(F)c1 ZINC000056531227 184015195 /nfs/dbraw/zinc/01/51/95/184015195.db2.gz MGAZCRNIQSZUQK-KRWDZBQOSA-N 1 0 315.392 3.120 10 0 DGAERO [NH3+]CCCNc1nc(-c2cccc(Cl)c2)nc2c1CCC2 ZINC000057328846 184033360 /nfs/dbraw/zinc/03/33/60/184033360.db2.gz AQCFMSMKEFOWBT-UHFFFAOYSA-N 1 0 302.809 3.046 10 0 DGAERO Cc1ccccc1C(C)(C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000060479865 184150309 /nfs/dbraw/zinc/15/03/09/184150309.db2.gz UEYCFVOERWQCFR-UHFFFAOYSA-N 1 0 314.473 3.359 10 0 DGAERO CC[NH+](/C=C/c1ncnc2c1ncn2Cc1ccccc1)CC ZINC000060006166 184143501 /nfs/dbraw/zinc/14/35/01/184143501.db2.gz YSPSDDRUKJMGTC-ZHACJKMWSA-N 1 0 307.401 3.187 10 0 DGAERO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000061612332 184178667 /nfs/dbraw/zinc/17/86/67/184178667.db2.gz DZYJYPCBVORCOK-WBMJQRKESA-N 1 0 302.805 3.260 10 0 DGAERO [NH3+]C[C@@H](C(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000061610844 184178692 /nfs/dbraw/zinc/17/86/92/184178692.db2.gz ZNSZIIVPYNXLAV-CQSZACIVSA-N 1 0 319.202 3.130 10 0 DGAERO CC(C)C[NH2+][C@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689767 184182771 /nfs/dbraw/zinc/18/27/71/184182771.db2.gz GQDVVRQXUQMVDL-CYBMUJFWSA-N 1 0 304.203 3.041 10 0 DGAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(Br)ccc1Cl ZINC000061692557 184183403 /nfs/dbraw/zinc/18/34/03/184183403.db2.gz LCVWRXSGRWGLLE-QMMMGPOBSA-N 1 0 319.630 3.429 10 0 DGAERO Cc1nnc(Sc2ccc([C@H](C)[NH3+])cc2Br)o1 ZINC000061700414 184183775 /nfs/dbraw/zinc/18/37/75/184183775.db2.gz YKCHHPRPOANERD-LURJTMIESA-N 1 0 314.208 3.311 10 0 DGAERO C[NH2+][C@@H](c1ccc(OC)c(Br)c1)[C@H]1CCCOC1 ZINC000062230971 184223910 /nfs/dbraw/zinc/22/39/10/184223910.db2.gz BIUBSUQVFRFGOZ-FZMZJTMJSA-N 1 0 314.223 3.145 10 0 DGAERO CC(C)[C@H]1CN(CC(F)(F)F)[C@H](Cc2ccccc2)C[NH2+]1 ZINC000062713051 184249656 /nfs/dbraw/zinc/24/96/56/184249656.db2.gz QYORERLLMDXNIZ-HUUCEWRRSA-N 1 0 300.368 3.090 10 0 DGAERO CC[C@H]([NH3+])Cc1nccn1Cc1sccc1Br ZINC000062803191 184253369 /nfs/dbraw/zinc/25/33/69/184253369.db2.gz MJTXHYTXGWWJHB-VIFPVBQESA-N 1 0 314.252 3.035 10 0 DGAERO [NH3+][C@@H](CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000062837814 184255608 /nfs/dbraw/zinc/25/56/08/184255608.db2.gz FLIYJKXJAJALGZ-ZDUSSCGKSA-N 1 0 309.196 3.423 10 0 DGAERO Brc1cc(C2CC[NH2+]CC2)cc2c1OCCCO2 ZINC000062951070 184262085 /nfs/dbraw/zinc/26/20/85/184262085.db2.gz ZUBMSXSBUZZHRQ-UHFFFAOYSA-N 1 0 312.207 3.077 10 0 DGAERO Oc1ccc(CC[NH2+]Cc2ccc(O)c(Br)c2)cc1 ZINC000062702758 184247897 /nfs/dbraw/zinc/24/78/97/184247897.db2.gz JPKHZZJTHZCBNN-UHFFFAOYSA-N 1 0 322.202 3.193 10 0 DGAERO Cc1cc(Br)ccc1OCc1cccnc1C[NH3+] ZINC000063061807 184268903 /nfs/dbraw/zinc/26/89/03/184268903.db2.gz QFYYZDIJGCSXNO-UHFFFAOYSA-N 1 0 307.191 3.190 10 0 DGAERO CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000064560550 184300054 /nfs/dbraw/zinc/30/00/54/184300054.db2.gz WWNKIHGYAYMFPE-UHFFFAOYSA-N 1 0 302.201 3.178 10 0 DGAERO CC[NH+](CC)CCNC(=O)c1cc2cn(C(C)C)cc2s1 ZINC000065285421 184321460 /nfs/dbraw/zinc/32/14/60/184321460.db2.gz QEBXMVQCXPCUKM-UHFFFAOYSA-N 1 0 307.463 3.355 10 0 DGAERO C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)CCc1ccc(F)cc1 ZINC000065595647 184371180 /nfs/dbraw/zinc/37/11/80/184371180.db2.gz BLXMBNFVTBEUPU-HNNXBMFYSA-N 1 0 306.425 3.091 10 0 DGAERO Cc1occc1C[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000065603705 184371421 /nfs/dbraw/zinc/37/14/21/184371421.db2.gz CGVCMEOOWRSOKO-KRWDZBQOSA-N 1 0 323.820 3.251 10 0 DGAERO C[NH+](C)C1CCN(C(=O)CCCCCc2cccs2)CC1 ZINC000067136790 184451226 /nfs/dbraw/zinc/45/12/26/184451226.db2.gz IOURYLLFVQPKJF-UHFFFAOYSA-N 1 0 308.491 3.404 10 0 DGAERO CCN(CC)C(=O)[C@H]([NH2+]CCc1ccsc1)c1ccccc1 ZINC000113252471 194572338 /nfs/dbraw/zinc/57/23/38/194572338.db2.gz WDEAAUIXXRJDOK-QGZVFWFLSA-N 1 0 316.470 3.490 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000248411786 284994108 /nfs/dbraw/zinc/99/41/08/284994108.db2.gz ZRAWFVFTRKGPHU-LUXYFRNMSA-N 1 0 313.445 3.199 10 0 DGAERO C[C@@H]1CC(CCN2CC[NH+](CC3CCOCC3)CC2)C[C@@H](C)C1 ZINC000089128799 252611451 /nfs/dbraw/zinc/61/14/51/252611451.db2.gz HQUQKUMUTRQSOP-ROUUACIJSA-N 1 0 322.537 3.493 10 0 DGAERO C[C@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[C@@H]1C ZINC000127813960 252635409 /nfs/dbraw/zinc/63/54/09/252635409.db2.gz MCDIMWVOMFPDBP-KBPBESRZSA-N 1 0 321.440 3.075 10 0 DGAERO CCOCCN1CC[N@H+](CCCCc2ccccc2)C[C@H]1C ZINC000248564630 285006196 /nfs/dbraw/zinc/00/61/96/285006196.db2.gz OKVHCOQIQROABA-GOSISDBHSA-N 1 0 304.478 3.052 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000248569594 285006673 /nfs/dbraw/zinc/00/66/73/285006673.db2.gz LSQURJROFVMCNL-MJGOQNOKSA-N 1 0 324.472 3.256 10 0 DGAERO Cc1c[nH+]ccc1NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248657216 285014992 /nfs/dbraw/zinc/01/49/92/285014992.db2.gz FGBORRVSGOQFSX-GOEBONIOSA-N 1 0 317.458 3.325 10 0 DGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000248750296 285022877 /nfs/dbraw/zinc/02/28/77/285022877.db2.gz GCQBXNLTPQNVOT-DABQJJPHSA-N 1 0 317.351 3.318 10 0 DGAERO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(-c2cccnc2)cc1 ZINC000181316693 252745022 /nfs/dbraw/zinc/74/50/22/252745022.db2.gz BGJOZZPGQGNKEV-YOEHRIQHSA-N 1 0 310.397 3.352 10 0 DGAERO Cc1c(Br)cccc1C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248858145 285033117 /nfs/dbraw/zinc/03/31/17/285033117.db2.gz WRMGWKMYGNFCOC-GNXNZQSNSA-N 1 0 312.251 3.491 10 0 DGAERO CC(C)[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C1CCC1 ZINC000119764686 195033351 /nfs/dbraw/zinc/03/33/51/195033351.db2.gz IHAUYQMNDLQYII-QGZVFWFLSA-N 1 0 311.853 3.480 10 0 DGAERO C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000119955104 195069405 /nfs/dbraw/zinc/06/94/05/195069405.db2.gz LWOKCXWORMEDDN-INIZCTEOSA-N 1 0 300.446 3.125 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2C)C12CCOCC2 ZINC000249065318 285051725 /nfs/dbraw/zinc/05/17/25/285051725.db2.gz ZHLJCMQFVHTHNO-WQANXHIZSA-N 1 0 315.457 3.484 10 0 DGAERO CCCc1cnc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000333137224 252937837 /nfs/dbraw/zinc/93/78/37/252937837.db2.gz KJFKAVHWTNCZPJ-AWEZNQCLSA-N 1 0 322.478 3.092 10 0 DGAERO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)ccc1OC(C)C ZINC000249223785 285064350 /nfs/dbraw/zinc/06/43/50/285064350.db2.gz USDABHSBQLMEPP-KBXCAEBGSA-N 1 0 307.434 3.339 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000249296824 285067446 /nfs/dbraw/zinc/06/74/46/285067446.db2.gz MVHMNIOWIARYDL-UBDQQSCGSA-N 1 0 300.446 3.058 10 0 DGAERO Cc1c(Cl)cncc1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333273504 252946909 /nfs/dbraw/zinc/94/69/09/252946909.db2.gz GKKJMNCRVQTRQX-AWEZNQCLSA-N 1 0 322.840 3.039 10 0 DGAERO C[C@H](NC(=O)N1CCC2(CC[NH2+]2)CC1)c1cc2ccccc2o1 ZINC000333295409 252947726 /nfs/dbraw/zinc/94/77/26/252947726.db2.gz PHLQXVKUCDYFQP-ZDUSSCGKSA-N 1 0 313.401 3.031 10 0 DGAERO O=C(Nc1ccc2cnccc2c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333386339 252952073 /nfs/dbraw/zinc/95/20/73/252952073.db2.gz WUTNZABGLVLKDJ-DLBZAZTESA-N 1 0 324.428 3.088 10 0 DGAERO CCC[C@@H](C)[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249268528 285065251 /nfs/dbraw/zinc/06/52/51/285065251.db2.gz IUUJNBITSARYHR-HZPDHXFCSA-N 1 0 312.498 3.303 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000249277988 285066430 /nfs/dbraw/zinc/06/64/30/285066430.db2.gz DUUXRYDCEAUIHK-SOUVJXGZSA-N 1 0 306.475 3.293 10 0 DGAERO COc1cc(Br)c(C[NH2+][C@H]2CC[C@H]2C)cc1OC ZINC000336787627 253000928 /nfs/dbraw/zinc/00/09/28/253000928.db2.gz FGNDMBRKNGISKU-SKDRFNHKSA-N 1 0 314.223 3.354 10 0 DGAERO Cc1sc(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c(C)c1C ZINC000249552139 285080457 /nfs/dbraw/zinc/08/04/57/285080457.db2.gz IJDMPMSFFOFDAP-PIGZYNQJSA-N 1 0 324.490 3.095 10 0 DGAERO CO[C@@H]1C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[C@@H]1C ZINC000251945339 285100088 /nfs/dbraw/zinc/10/00/88/285100088.db2.gz UXUJRTWPQPVFCG-ZYSHUDEJSA-N 1 0 319.445 3.101 10 0 DGAERO CC(=O)N1CCC(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000338776649 253350302 /nfs/dbraw/zinc/35/03/02/253350302.db2.gz VMPUHDWDQVGBBP-CCKFTAQKSA-N 1 0 300.446 3.027 10 0 DGAERO C[C@H](CNC(=O)C/C=C\c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000255025590 285121231 /nfs/dbraw/zinc/12/12/31/285121231.db2.gz SRWSWVWSOBJMKH-MJSXRHKHSA-N 1 0 318.436 3.466 10 0 DGAERO C[C@@H](C[NH2+]Cc1cccnc1-n1cccn1)Cc1ccccc1 ZINC000158776739 197301183 /nfs/dbraw/zinc/30/11/83/197301183.db2.gz JLMVJZUXPFTPOV-MRXNPFEDSA-N 1 0 306.413 3.236 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)C/C=C\c2cccc(F)c2)CC[N@@H+]1C ZINC000255079084 285127649 /nfs/dbraw/zinc/12/76/49/285127649.db2.gz LIUSZABXJXSMQE-CTOCQWKHSA-N 1 0 304.409 3.170 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccnc2ccccc12 ZINC000255124494 285132102 /nfs/dbraw/zinc/13/21/02/285132102.db2.gz VQSIGBLQYGNGLW-QXPKXGMISA-N 1 0 323.440 3.191 10 0 DGAERO CC1CCC(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000120267544 195132074 /nfs/dbraw/zinc/13/20/74/195132074.db2.gz LBKHJYZPNYOSRO-JCYILVPMSA-N 1 0 302.466 3.204 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(Cl)s1 ZINC000255574330 285166273 /nfs/dbraw/zinc/16/62/73/285166273.db2.gz CEZNKKKFDOIPDV-LWSHCTJVSA-N 1 0 310.850 3.110 10 0 DGAERO Cc1cnn(CCCCC[N@@H+](C)CCc2ncc(C)s2)c1 ZINC000157756297 197212657 /nfs/dbraw/zinc/21/26/57/197212657.db2.gz GWPKNRSVYNKPIH-UHFFFAOYSA-N 1 0 306.479 3.301 10 0 DGAERO c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000342908861 254072901 /nfs/dbraw/zinc/07/29/01/254072901.db2.gz CBACLCXOUQYAQY-SJORKVTESA-N 1 0 311.429 3.121 10 0 DGAERO c1cn(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000342908860 254073170 /nfs/dbraw/zinc/07/31/70/254073170.db2.gz CBACLCXOUQYAQY-IRXDYDNUSA-N 1 0 311.429 3.121 10 0 DGAERO c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)c2)cn1 ZINC000342822223 254059795 /nfs/dbraw/zinc/05/97/95/254059795.db2.gz KIPKKYHOSFGPDV-CVEARBPZSA-N 1 0 303.431 3.077 10 0 DGAERO c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000342837830 254062534 /nfs/dbraw/zinc/06/25/34/254062534.db2.gz KNNBPINTTDGTSF-KRWDZBQOSA-N 1 0 315.442 3.208 10 0 DGAERO C[C@@H]1CC(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000343504066 254152638 /nfs/dbraw/zinc/15/26/38/254152638.db2.gz CWIGWFJFQGCXSQ-HLIPFELVSA-N 1 0 316.489 3.444 10 0 DGAERO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000157329092 197179760 /nfs/dbraw/zinc/17/97/60/197179760.db2.gz ZHBIXYVJOLRRBD-LSDHHAIUSA-N 1 0 322.449 3.447 10 0 DGAERO C[C@@H]([NH3+])C(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000157121814 197164109 /nfs/dbraw/zinc/16/41/09/197164109.db2.gz QOKXXVHKCHKGMG-SJKOYZFVSA-N 1 0 314.454 3.180 10 0 DGAERO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000261381090 285190117 /nfs/dbraw/zinc/19/01/17/285190117.db2.gz DOZKZBZFCYSWHQ-AEFFLSMTSA-N 1 0 315.461 3.093 10 0 DGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]1SC ZINC000344949817 254318713 /nfs/dbraw/zinc/31/87/13/254318713.db2.gz AIILXACFHZXHLY-DGCLKSJQSA-N 1 0 316.264 3.441 10 0 DGAERO Clc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)o1 ZINC000345019510 254323504 /nfs/dbraw/zinc/32/35/04/254323504.db2.gz NCSWDYBEZUAMHV-LLVKDONJSA-N 1 0 301.839 3.467 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000188779918 533150105 /nfs/dbraw/zinc/15/01/05/533150105.db2.gz FXGOWPKNLBYMGX-KGLIPLIRSA-N 1 0 323.400 3.083 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000188798215 533150229 /nfs/dbraw/zinc/15/02/29/533150229.db2.gz PANKLGLJHWGFPZ-STQMWFEESA-N 1 0 313.401 3.460 10 0 DGAERO CSCCC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000155451301 197056712 /nfs/dbraw/zinc/05/67/12/197056712.db2.gz GZXUXCCUZPCIEM-UHFFFAOYSA-N 1 0 322.474 3.243 10 0 DGAERO C[C@H](CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1F ZINC000155379294 197048908 /nfs/dbraw/zinc/04/89/08/197048908.db2.gz GPIKWGGFMBOFAT-UPJWGTAASA-N 1 0 310.388 3.009 10 0 DGAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 ZINC000154926416 197005611 /nfs/dbraw/zinc/00/56/11/197005611.db2.gz JQGBUJGEZHKAFR-DLBZAZTESA-N 1 0 314.408 3.325 10 0 DGAERO C[C@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000120425217 195164596 /nfs/dbraw/zinc/16/45/96/195164596.db2.gz FLTSWWIAUTZEEE-LPHOPBHVSA-N 1 0 310.441 3.079 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cccc2C)[C@H](C)C1 ZINC000120406933 195160560 /nfs/dbraw/zinc/16/05/60/195160560.db2.gz HAKQPAOHSHJQKX-CVEARBPZSA-N 1 0 303.450 3.497 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2COC)[C@H](C)C1 ZINC000120508125 195180199 /nfs/dbraw/zinc/18/01/99/195180199.db2.gz CHOVMRXPVLWGMC-PBHICJAKSA-N 1 0 319.449 3.027 10 0 DGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000120556885 195189434 /nfs/dbraw/zinc/18/94/34/195189434.db2.gz FTMOQJZYJJWEGR-DCGLDWPTSA-N 1 0 307.459 3.462 10 0 DGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2C)c1 ZINC000120641139 195207078 /nfs/dbraw/zinc/20/70/78/195207078.db2.gz SIGFWVWFINAHCY-INIZCTEOSA-N 1 0 301.390 3.072 10 0 DGAERO CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccncc1 ZINC000120654851 195209356 /nfs/dbraw/zinc/20/93/56/195209356.db2.gz SECFGRJRYNEXCG-CQSZACIVSA-N 1 0 301.415 3.091 10 0 DGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000120739337 195227370 /nfs/dbraw/zinc/22/73/70/195227370.db2.gz DVSPITVCMAZLOB-CHWSQXEVSA-N 1 0 303.454 3.096 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)CCC2 ZINC000120700220 195219136 /nfs/dbraw/zinc/21/91/36/195219136.db2.gz GSAIQWSJJTUNNU-MEBBXXQBSA-N 1 0 318.490 3.400 10 0 DGAERO CCOc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1F ZINC000120860366 195252717 /nfs/dbraw/zinc/25/27/17/195252717.db2.gz SKPKXCBMHPKTAB-SWLSCSKDSA-N 1 0 323.412 3.075 10 0 DGAERO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000120903365 195261445 /nfs/dbraw/zinc/26/14/45/195261445.db2.gz JOONTNPPBNYGIQ-MRXNPFEDSA-N 1 0 320.433 3.064 10 0 DGAERO Cc1cccc(C2(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)CCCCC2)c1 ZINC000152089237 196770249 /nfs/dbraw/zinc/77/02/49/196770249.db2.gz JIIGQVHOTOXCDY-AEFFLSMTSA-N 1 0 314.473 3.441 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293245488 285311663 /nfs/dbraw/zinc/31/16/63/285311663.db2.gz BIZWXSIWYJAADA-GARJFASQSA-N 1 0 316.264 3.391 10 0 DGAERO C[N@@H+]1[C@@H](COCC2CC2)CCC12CCN(Cc1ccco1)CC2 ZINC000096207206 257133503 /nfs/dbraw/zinc/13/35/03/257133503.db2.gz OSJSRMLZCUCWNL-QGZVFWFLSA-N 1 0 318.461 3.135 10 0 DGAERO Cc1nccc([C@@H]2C[C@H]3CC[N@H+](Cc4cccs4)C[C@@H]3O2)n1 ZINC000247974685 257113329 /nfs/dbraw/zinc/11/33/29/257113329.db2.gz ULHLFCFABBENJC-COXVUDFISA-N 1 0 315.442 3.199 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000121071160 195290435 /nfs/dbraw/zinc/29/04/35/195290435.db2.gz MGWBTYJILNIWIA-AWEZNQCLSA-N 1 0 311.495 3.041 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](Cc1c(C)noc1C)Cc1ccccc1 ZINC000121084633 195292295 /nfs/dbraw/zinc/29/22/95/195292295.db2.gz DSLHBUUKJFMULH-ZDUSSCGKSA-N 1 0 316.401 3.103 10 0 DGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc(C)c3C)C2)n1 ZINC000121952110 195379749 /nfs/dbraw/zinc/37/97/49/195379749.db2.gz FQECYZNDDZNTLB-GOSISDBHSA-N 1 0 312.461 3.424 10 0 DGAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000125533800 195760423 /nfs/dbraw/zinc/76/04/23/195760423.db2.gz KSRCHHBUESNUAG-IAQYHMDHSA-N 1 0 318.244 3.433 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)NCCc1ccc(F)cc1 ZINC000172170719 533531745 /nfs/dbraw/zinc/53/17/45/533531745.db2.gz WHNXSGXLLVRDOZ-ZIAGYGMSSA-N 1 0 306.425 3.041 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)NCCc1ccc(F)cc1 ZINC000172170715 533496043 /nfs/dbraw/zinc/49/60/43/533496043.db2.gz WHNXSGXLLVRDOZ-UONOGXRCSA-N 1 0 306.425 3.041 10 0 DGAERO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000183604146 533574311 /nfs/dbraw/zinc/57/43/11/533574311.db2.gz LDAAKMZPBFTQHQ-KBPBESRZSA-N 1 0 305.418 3.468 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000173575539 533590841 /nfs/dbraw/zinc/59/08/41/533590841.db2.gz SACMLLWTJOGCPI-KOLCDFICSA-N 1 0 315.339 3.050 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2(C)C)CCN1Cc1ccccc1 ZINC000294678402 533657338 /nfs/dbraw/zinc/65/73/38/533657338.db2.gz IAAQYAKIMFBRNJ-BPQIPLTHSA-N 1 0 302.462 3.197 10 0 DGAERO c1ccc([C@@H]2C[C@@H]2[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000291222788 285490034 /nfs/dbraw/zinc/49/00/34/285490034.db2.gz SKVUSBJSNZCVQU-ROUUACIJSA-N 1 0 322.456 3.350 10 0 DGAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000089454609 545814954 /nfs/dbraw/zinc/81/49/54/545814954.db2.gz HUDUNLAQKQUSOL-WDEREUQCSA-N 1 0 303.793 3.202 10 0 DGAERO Fc1ccccc1OCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128557714 195973342 /nfs/dbraw/zinc/97/33/42/195973342.db2.gz CFMXNYCAFSCOMR-HOTGVXAUSA-N 1 0 303.381 3.175 10 0 DGAERO c1c2c(nn1C1CCCC1)[C@H]([NH2+]C[C@H]1CCCOC1)CCC2 ZINC000357031947 285614033 /nfs/dbraw/zinc/61/40/33/285614033.db2.gz WGWSBXSQMMVBKP-RHSMWYFYSA-N 1 0 303.450 3.392 10 0 DGAERO COC(=O)C(C)(C)[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000616114104 400085655 /nfs/dbraw/zinc/08/56/55/400085655.db2.gz PJBUPLNJWOYQFG-FVQBIDKESA-N 1 0 305.418 3.084 10 0 DGAERO O=C(Cc1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000000014994 400079092 /nfs/dbraw/zinc/07/90/92/400079092.db2.gz OIOZNWCZHDMAHS-UHFFFAOYSA-N 1 0 312.388 3.245 10 0 DGAERO COc1ccc([C@](O)(c2ccccc2C)[C@H](C)C[NH+](C)C)cc1 ZINC000003642384 400083351 /nfs/dbraw/zinc/08/33/51/400083351.db2.gz XRTXNXNZOIVSSI-UZLBHIALSA-N 1 0 313.441 3.437 10 0 DGAERO C[N@@H+]1CCCOC[C@@H]1c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000616599781 400181086 /nfs/dbraw/zinc/18/10/86/400181086.db2.gz PFLZSQHLFFFMKB-OAHLLOKOSA-N 1 0 306.406 3.427 10 0 DGAERO c1ccc(CN2CC[NH2+]C[C@@H]2c2nccc3ccccc32)cc1 ZINC000616601682 400181111 /nfs/dbraw/zinc/18/11/11/400181111.db2.gz IJIAJHQCVLUMGA-LJQANCHMSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CCO)cc1 ZINC000616607454 400183227 /nfs/dbraw/zinc/18/32/27/400183227.db2.gz HUSDEGGBQJNYJS-INIZCTEOSA-N 1 0 320.433 3.187 10 0 DGAERO C[C@@]([NH3+])(C(=O)N(Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000306888995 400127051 /nfs/dbraw/zinc/12/70/51/400127051.db2.gz SMQUQUUURZVPAI-FQEVSTJZSA-N 1 0 308.425 3.343 10 0 DGAERO C[C@H]1C[NH2+][C@@H](c2ccc(I)cc2)S1 ZINC000306823469 400127316 /nfs/dbraw/zinc/12/73/16/400127316.db2.gz SXFBRSRYNMDLCJ-OIBJUYFYSA-N 1 0 305.184 3.015 10 0 DGAERO CC(C)COC1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000066872337 400127768 /nfs/dbraw/zinc/12/77/68/400127768.db2.gz GGSYRXFMOAJIQQ-UHFFFAOYSA-N 1 0 324.509 3.210 10 0 DGAERO CC(C)C[NH+]1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000067132522 400148294 /nfs/dbraw/zinc/14/82/94/400148294.db2.gz OCUYASKZSGUKFO-OAHLLOKOSA-N 1 0 314.433 3.071 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@H](c3cc4ccccc4cn3)C2)cc1 ZINC000616631978 400187411 /nfs/dbraw/zinc/18/74/11/400187411.db2.gz KRMGGEKKYQSIQZ-FQEVSTJZSA-N 1 0 303.409 3.381 10 0 DGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc2cnccc2c1 ZINC000616635578 400189420 /nfs/dbraw/zinc/18/94/20/400189420.db2.gz IDBWGZZMJRFADS-INIZCTEOSA-N 1 0 313.401 3.116 10 0 DGAERO Cc1ccnc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000616760974 400221523 /nfs/dbraw/zinc/22/15/23/400221523.db2.gz RNKYEWLATJNEFS-OAHLLOKOSA-N 1 0 304.434 3.334 10 0 DGAERO CC[NH+](CC)C[C@H](C)NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000588927570 400246849 /nfs/dbraw/zinc/24/68/49/400246849.db2.gz LRHUGZKQRRCAGN-NSHDSACASA-N 1 0 307.825 3.281 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3cnc4ccccc4c3)C2)cc1 ZINC000616632981 400189538 /nfs/dbraw/zinc/18/95/38/400189538.db2.gz GNFWMTPZHVJRSQ-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO c1ccc(C[N@@H+]2CCN[C@@H](c3cc4ccccc4cn3)C2)cc1 ZINC000616633131 400189811 /nfs/dbraw/zinc/18/98/11/400189811.db2.gz KRMGGEKKYQSIQZ-HXUWFJFHSA-N 1 0 303.409 3.381 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2C[NH2+]CCCO2)c1 ZINC000616650758 400192401 /nfs/dbraw/zinc/19/24/01/400192401.db2.gz GIJHFVCNQWDDFL-OAHLLOKOSA-N 1 0 306.406 3.109 10 0 DGAERO OCCc1cccc([C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000616651630 400192495 /nfs/dbraw/zinc/19/24/95/400192495.db2.gz POTGRRICSYCNPW-HXUWFJFHSA-N 1 0 311.425 3.185 10 0 DGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2COCCC[NH2+]2)cc1 ZINC000616647812 400193239 /nfs/dbraw/zinc/19/32/39/400193239.db2.gz NBUIWMPSLZJZLR-HNNXBMFYSA-N 1 0 306.406 3.109 10 0 DGAERO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616663569 400196821 /nfs/dbraw/zinc/19/68/21/400196821.db2.gz LDSZJXHYWPITND-INIZCTEOSA-N 1 0 320.433 3.102 10 0 DGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cc2ccccc2cn1 ZINC000616683529 400203007 /nfs/dbraw/zinc/20/30/07/400203007.db2.gz HNRARHBXHUFROI-IBGZPJMESA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@H](c2ccc3ncccc3c2)Nc2ccccc21 ZINC000616686115 400204554 /nfs/dbraw/zinc/20/45/54/400204554.db2.gz XHDZEAWYRIRENC-GOSISDBHSA-N 1 0 304.397 3.167 10 0 DGAERO [NH3+]CCN1C[C@@H](c2cnc3ccccc3c2)Nc2ccccc21 ZINC000616693434 400206817 /nfs/dbraw/zinc/20/68/17/400206817.db2.gz QWZOUIIDFACAIW-SFHVURJKSA-N 1 0 304.397 3.167 10 0 DGAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1cnc2ccccc2n1 ZINC000390569858 400272532 /nfs/dbraw/zinc/27/25/32/400272532.db2.gz BDDPIKFLLVFUQC-HNNXBMFYSA-N 1 0 307.397 3.325 10 0 DGAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)no1 ZINC000068758052 400285629 /nfs/dbraw/zinc/28/56/29/400285629.db2.gz URTPARUQSATAQJ-ZDUSSCGKSA-N 1 0 301.390 3.396 10 0 DGAERO c1c[nH]c(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000097944886 400288268 /nfs/dbraw/zinc/28/82/68/400288268.db2.gz JJCMQGBAINXLLO-UHFFFAOYSA-N 1 0 307.401 3.179 10 0 DGAERO [NH3+]C[C@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000401783604 400291691 /nfs/dbraw/zinc/29/16/91/400291691.db2.gz RSNUJIBZIPPEFJ-QMMMGPOBSA-N 1 0 316.110 3.005 10 0 DGAERO CCc1cc(NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)n[nH]1 ZINC000101657800 400293816 /nfs/dbraw/zinc/29/38/16/400293816.db2.gz NUXIJWFHGCHCQX-UHFFFAOYSA-N 1 0 314.433 3.455 10 0 DGAERO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000104066449 400311177 /nfs/dbraw/zinc/31/11/77/400311177.db2.gz OXXVHZNGKKBRIH-NSHDSACASA-N 1 0 311.223 3.086 10 0 DGAERO CCc1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000105081651 400318895 /nfs/dbraw/zinc/31/88/95/400318895.db2.gz OUPUBWUDEUHOTP-MAUKXSAKSA-N 1 0 315.461 3.190 10 0 DGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC(C)(C)c1ccccc1 ZINC000106430816 400326080 /nfs/dbraw/zinc/32/60/80/400326080.db2.gz GEMXNAJPOWMGMH-LJQANCHMSA-N 1 0 324.468 3.253 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NCCCO[C@@H](C)c1ccccc1)C(C)(C)C ZINC000114474366 400387583 /nfs/dbraw/zinc/38/75/83/400387583.db2.gz JZUKLXVYZWOCMG-JKSUJKDBSA-N 1 0 320.477 3.295 10 0 DGAERO O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917466 400394916 /nfs/dbraw/zinc/39/49/16/400394916.db2.gz DSOJDXWRLCODAM-DOMZBBRYSA-N 1 0 307.825 3.336 10 0 DGAERO O=C(Nc1cccc(Cl)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917467 400394948 /nfs/dbraw/zinc/39/49/48/400394948.db2.gz DSOJDXWRLCODAM-SWLSCSKDSA-N 1 0 307.825 3.336 10 0 DGAERO c1n[nH]cc1-c1ccc2c(c1)CC1(CC[NH+](C3CCC3)CC1)O2 ZINC000114728254 400388636 /nfs/dbraw/zinc/38/86/36/400388636.db2.gz YIFDWNWNQFHNOJ-UHFFFAOYSA-N 1 0 309.413 3.399 10 0 DGAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cncs1)c1ccccc1 ZINC000610953227 400327870 /nfs/dbraw/zinc/32/78/70/400327870.db2.gz RGBKIHCGTRWTIR-AWEZNQCLSA-N 1 0 304.415 3.173 10 0 DGAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106901055 400331435 /nfs/dbraw/zinc/33/14/35/400331435.db2.gz ALFOXTRWFTXBKO-QFBILLFUSA-N 1 0 310.441 3.345 10 0 DGAERO COc1cccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C)[NH+](C)C)c1 ZINC000112432830 400373118 /nfs/dbraw/zinc/37/31/18/400373118.db2.gz FUYJKWPQGNWIKL-CJNGLKHVSA-N 1 0 321.465 3.032 10 0 DGAERO c1ccc2c(c1)CCN2CC1CC[NH+](CC2CCOCC2)CC1 ZINC000112698194 400375402 /nfs/dbraw/zinc/37/54/02/400375402.db2.gz LDJQKGIMVWKTAN-UHFFFAOYSA-N 1 0 314.473 3.188 10 0 DGAERO COc1ccc(CC2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000112697402 400375842 /nfs/dbraw/zinc/37/58/42/400375842.db2.gz MTWORFUZSYABLJ-UHFFFAOYSA-N 1 0 303.446 3.376 10 0 DGAERO O=C1CC[N+](=O)C(c2ccccc2F)c2cc(Cl)ccc21 ZINC000039393500 400398198 /nfs/dbraw/zinc/39/81/98/400398198.db2.gz JTVYVDXMCGQFQM-UHFFFAOYSA-N 1 0 303.720 3.413 10 0 DGAERO CC(C)[C@@H](C(=O)NC[C@H](C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000041111065 400402835 /nfs/dbraw/zinc/40/28/35/400402835.db2.gz KFZSQGPWTIKIDR-WMLDXEAASA-N 1 0 306.425 3.166 10 0 DGAERO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCCOC(C)C ZINC000041166778 400402897 /nfs/dbraw/zinc/40/28/97/400402897.db2.gz GLTRYBBFNFESLM-UHFFFAOYSA-N 1 0 301.434 3.394 10 0 DGAERO COC1([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)CCOCC1 ZINC000453207193 292148558 /nfs/dbraw/zinc/14/85/58/292148558.db2.gz ZIAXDXOUFLOOJA-JQHSSLGASA-N 1 0 319.445 3.080 10 0 DGAERO O=C(Nc1ccc([C@H]2CCC[NH2+]C2)cc1)c1ccc(Cl)cn1 ZINC000117720207 400421083 /nfs/dbraw/zinc/42/10/83/400421083.db2.gz FUSOYBOVDDVOIU-ZDUSSCGKSA-N 1 0 315.804 3.454 10 0 DGAERO Cc1ccc(NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000117725564 400421101 /nfs/dbraw/zinc/42/11/01/400421101.db2.gz HOTOOTIQIYDCAE-KRWDZBQOSA-N 1 0 311.385 3.300 10 0 DGAERO C[NH+](C)CCNc1ccc(Br)cc1Br ZINC000042221250 400428006 /nfs/dbraw/zinc/42/80/06/400428006.db2.gz FZQWDNPDIFOUEG-UHFFFAOYSA-N 1 0 322.044 3.185 10 0 DGAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000073619607 400459632 /nfs/dbraw/zinc/45/96/32/400459632.db2.gz DOXHRFHTQSRSLX-HUUCEWRRSA-N 1 0 306.450 3.002 10 0 DGAERO C[C@@]1(CNC(=O)Nc2ccccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000122417413 400461440 /nfs/dbraw/zinc/46/14/40/400461440.db2.gz PYLWQGZLCKPTKQ-IBGZPJMESA-N 1 0 324.428 3.258 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1cccc(F)c1 ZINC000134607178 400580159 /nfs/dbraw/zinc/58/01/59/400580159.db2.gz LOXZVHFJTQXFLW-AWEZNQCLSA-N 1 0 306.425 3.094 10 0 DGAERO C[C@H]1CC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000358018644 285946724 /nfs/dbraw/zinc/94/67/24/285946724.db2.gz QIPWZVLUXRFPBC-JKSUJKDBSA-N 1 0 300.446 3.448 10 0 DGAERO C[C@H]1C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000075981819 400625496 /nfs/dbraw/zinc/62/54/96/400625496.db2.gz MHCKMYCNAAQXLP-MAUKXSAKSA-N 1 0 315.461 3.126 10 0 DGAERO COc1ccc(C[N@H+](C)CCc2ccc(N)c(C)c2)cc1OC ZINC000136663831 400592484 /nfs/dbraw/zinc/59/24/84/400592484.db2.gz UGNRNEGOLMICRZ-UHFFFAOYSA-N 1 0 314.429 3.269 10 0 DGAERO C[C@@H]([NH3+])[C@H](Cc1ccc(Cl)cc1)n1nnc2ccccc21 ZINC000138231254 400597188 /nfs/dbraw/zinc/59/71/88/400597188.db2.gz MCIJMQJTTHRCQC-BZNIZROVSA-N 1 0 300.793 3.216 10 0 DGAERO CC(C)c1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000139370758 400605517 /nfs/dbraw/zinc/60/55/17/400605517.db2.gz RPPJUCMANPWMFH-YOEHRIQHSA-N 1 0 303.450 3.264 10 0 DGAERO O=C(Nc1cnc([C@@H]2CCC[NH2+]C2)s1)Nc1ccccc1 ZINC000146742742 400649887 /nfs/dbraw/zinc/64/98/87/400649887.db2.gz QORGSEDVDYEWED-LLVKDONJSA-N 1 0 302.403 3.254 10 0 DGAERO [NH3+][C@@H]1CCCc2c3cc(I)ccc3[nH]c21 ZINC000145896013 400647621 /nfs/dbraw/zinc/64/76/21/400647621.db2.gz NAOUQJDQTBBRNY-SNVBAGLBSA-N 1 0 312.154 3.109 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCCC[C@@H]2c2ccco2)C1 ZINC000152429308 400679332 /nfs/dbraw/zinc/67/93/32/400679332.db2.gz PRXKYHZGTGVQPU-JKSUJKDBSA-N 1 0 319.449 3.391 10 0 DGAERO c1coc(-c2noc(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)n2)c1 ZINC000152937890 400683750 /nfs/dbraw/zinc/68/37/50/400683750.db2.gz ADXFCQKCYNTCKU-CQSZACIVSA-N 1 0 317.389 3.253 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000076996886 400685326 /nfs/dbraw/zinc/68/53/26/400685326.db2.gz YHXYEXAESDYQHX-OALUTQOASA-N 1 0 314.473 3.466 10 0 DGAERO Cc1ccc(-c2nnc(CN3CCO[C@@H]4CCCC[C@H]43)o2)cc1 ZINC000613450812 400723299 /nfs/dbraw/zinc/72/32/99/400723299.db2.gz JYDHUCFCFIHPKI-HZPDHXFCSA-N 1 0 313.401 3.188 10 0 DGAERO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)C(C)(C)C)c(OC)c1 ZINC000163287324 400747221 /nfs/dbraw/zinc/74/72/21/400747221.db2.gz WOOQQLRRTAIMLP-CHWSQXEVSA-N 1 0 322.449 3.445 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C(C)(C)C ZINC000163302558 400747455 /nfs/dbraw/zinc/74/74/55/400747455.db2.gz LUBSFBIGDQMLNJ-WDEREUQCSA-N 1 0 301.427 3.314 10 0 DGAERO C[C@@H]1C[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H](C)O1 ZINC000077247041 400701909 /nfs/dbraw/zinc/70/19/09/400701909.db2.gz NRXJCPPGYUAGOJ-VXGBXAGGSA-N 1 0 321.808 3.042 10 0 DGAERO Cc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)[nH]1 ZINC000603689695 400709264 /nfs/dbraw/zinc/70/92/64/400709264.db2.gz VWWBSOUHVNGSTQ-NVXWUHKLSA-N 1 0 317.477 3.358 10 0 DGAERO CNC(=O)c1cccc(C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)c1 ZINC000156848307 400713751 /nfs/dbraw/zinc/71/37/51/400713751.db2.gz IXIPDLKLJLUWGZ-INIZCTEOSA-N 1 0 310.441 3.418 10 0 DGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308048 400817598 /nfs/dbraw/zinc/81/75/98/400817598.db2.gz HVQIBGDHEAWLQL-LLVKDONJSA-N 1 0 315.244 3.342 10 0 DGAERO CCc1nnc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)n1C ZINC000170835581 400776424 /nfs/dbraw/zinc/77/64/24/400776424.db2.gz GUOGDPDOFBHGLL-IHWZXDPASA-N 1 0 302.466 3.072 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C1 ZINC000170862039 400777889 /nfs/dbraw/zinc/77/78/89/400777889.db2.gz SNMWHDONQGWQQH-SFHVURJKSA-N 1 0 324.424 3.042 10 0 DGAERO Cc1cc(NC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)no1 ZINC000170992822 400780529 /nfs/dbraw/zinc/78/05/29/400780529.db2.gz AZRXMUIUCGXLCC-UHFFFAOYSA-N 1 0 314.389 3.265 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000171405073 400798848 /nfs/dbraw/zinc/79/88/48/400798848.db2.gz XWSNEKRHWMGCQH-KRWDZBQOSA-N 1 0 316.832 3.302 10 0 DGAERO Cc1nc(-c2cccc(NC(=O)[C@]3(C)CCC[NH2+]3)c2)cs1 ZINC000079514696 400871825 /nfs/dbraw/zinc/87/18/25/400871825.db2.gz KJDCOSKIVOUFHL-INIZCTEOSA-N 1 0 301.415 3.199 10 0 DGAERO CCCCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)C1(C)C ZINC000181466945 400888720 /nfs/dbraw/zinc/88/87/20/400888720.db2.gz BZFNZLQHKQMEGB-SJORKVTESA-N 1 0 324.509 3.207 10 0 DGAERO COC(=O)CC[C@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000619426138 400845149 /nfs/dbraw/zinc/84/51/49/400845149.db2.gz QAFAREXLWIKSQX-ZACQAIPSSA-N 1 0 305.418 3.228 10 0 DGAERO CCOC(=O)[C@](C)(C[NH2+][C@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000619430714 400847167 /nfs/dbraw/zinc/84/71/67/400847167.db2.gz SRXQDVYXABCZMJ-JENIJYKNSA-N 1 0 319.445 3.055 10 0 DGAERO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C(C)C)cc1 ZINC000055071618 400851384 /nfs/dbraw/zinc/85/13/84/400851384.db2.gz BXJGKBSBSJBJNO-OAHLLOKOSA-N 1 0 305.466 3.372 10 0 DGAERO CCn1ccnc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338917 400942125 /nfs/dbraw/zinc/94/21/25/400942125.db2.gz NPJOMYKSTUBDLN-AEFFLSMTSA-N 1 0 312.461 3.046 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000606700876 400949994 /nfs/dbraw/zinc/94/99/94/400949994.db2.gz RIAWGCOBGDWWSB-JKSUJKDBSA-N 1 0 317.477 3.128 10 0 DGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC/C=C\c2ccccc2)C1 ZINC000606358606 400902484 /nfs/dbraw/zinc/90/24/84/400902484.db2.gz TZXMXISSJWMRHJ-TWVNLXSWSA-N 1 0 300.446 3.327 10 0 DGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)CC/C=C/c1ccccc1 ZINC000606372839 400904809 /nfs/dbraw/zinc/90/48/09/400904809.db2.gz DTSLJJQUEXSDPX-VQANOXKBSA-N 1 0 300.446 3.471 10 0 DGAERO C[C@H]1C[C@H](NC(=O)N(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080167387 400928986 /nfs/dbraw/zinc/92/89/86/400928986.db2.gz CIIZYHBEODMVRB-DOTOQJQBSA-N 1 0 315.461 3.233 10 0 DGAERO CC(C)C[C@H](C)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000358185221 285992029 /nfs/dbraw/zinc/99/20/29/285992029.db2.gz GRKXWMVYUSOBLF-XOYOTBSWSA-N 1 0 300.446 3.168 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000247231162 401048321 /nfs/dbraw/zinc/04/83/21/401048321.db2.gz NVWXNDVOQVREIV-MCIONIFRSA-N 1 0 324.415 3.161 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000247231179 401048356 /nfs/dbraw/zinc/04/83/56/401048356.db2.gz NVWXNDVOQVREIV-MGPQQGTHSA-N 1 0 324.415 3.161 10 0 DGAERO c1cncc([C@@H]([NH2+]CCOC[C@H]2CCCO2)C2CCCCC2)c1 ZINC000607357961 401051212 /nfs/dbraw/zinc/05/12/12/401051212.db2.gz MLGBSHODRQIZTI-MOPGFXCFSA-N 1 0 318.461 3.488 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247465240 401055714 /nfs/dbraw/zinc/05/57/14/401055714.db2.gz RKTTZJRUFJCBHT-WMLDXEAASA-N 1 0 322.880 3.461 10 0 DGAERO CCN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CCCC1 ZINC000247990887 401063808 /nfs/dbraw/zinc/06/38/08/401063808.db2.gz JCOWRECZSLEHHT-ROUUACIJSA-N 1 0 315.461 3.406 10 0 DGAERO c1cn(Cc2ccc(-c3cccc([C@H]4COCC[NH2+]4)c3)cc2)cn1 ZINC000629742796 401073372 /nfs/dbraw/zinc/07/33/72/401073372.db2.gz XTTKRBQUYDDXSI-HXUWFJFHSA-N 1 0 319.408 3.259 10 0 DGAERO C[C@@H]1C[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000246166516 401021211 /nfs/dbraw/zinc/02/12/11/401021211.db2.gz BTZNBIRWIUWZNP-IIDMSEBBSA-N 1 0 315.461 3.126 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCCC[C@H]2c2ccco2)C1 ZINC000246787547 401036670 /nfs/dbraw/zinc/03/66/70/401036670.db2.gz PRXKYHZGTGVQPU-CVEARBPZSA-N 1 0 319.449 3.391 10 0 DGAERO c1ccc(C[C@H]2CCCC[N@H+]2CCOC2CCOCC2)cc1 ZINC000625130941 401037705 /nfs/dbraw/zinc/03/77/05/401037705.db2.gz KVTLGCPMMFJLPC-GOSISDBHSA-N 1 0 303.446 3.279 10 0 DGAERO C[C@H](O)CN1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C[C@@H]1C ZINC000247011344 401042521 /nfs/dbraw/zinc/04/25/21/401042521.db2.gz UEXTWGFSMHNSHG-VYMRPNJYSA-N 1 0 310.526 3.226 10 0 DGAERO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262242329 401115669 /nfs/dbraw/zinc/11/56/69/401115669.db2.gz BQMAMTOCUNLYHF-ZOBUZTSGSA-N 1 0 318.461 3.306 10 0 DGAERO CC(C)(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1F ZINC000262532327 401117444 /nfs/dbraw/zinc/11/74/44/401117444.db2.gz OGVQSLKREYYXKI-XKQJLSEDSA-N 1 0 318.436 3.140 10 0 DGAERO O=C(N[C@@H]1CCc2c1cccc2Cl)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262466537 401118279 /nfs/dbraw/zinc/11/82/79/401118279.db2.gz XZGZBVFTTPZVNJ-AHBIMHKDSA-N 1 0 318.848 3.364 10 0 DGAERO CC[C@@H]([NH2+]CCN1CC=C(C)CC1)c1ccc(OC)c(OC)c1 ZINC000358223525 286002565 /nfs/dbraw/zinc/00/25/65/286002565.db2.gz JIYWRAHGBKGCSO-QGZVFWFLSA-N 1 0 318.461 3.397 10 0 DGAERO CC(=O)N1CCC[N@H+](CCCCc2cccc(Cl)c2)CC1 ZINC000621242400 401135984 /nfs/dbraw/zinc/13/59/84/401135984.db2.gz IANWXYPLMDUDDI-UHFFFAOYSA-N 1 0 308.853 3.217 10 0 DGAERO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H](O)C(F)(F)F)CCCO2 ZINC000358226415 286003636 /nfs/dbraw/zinc/00/36/36/286003636.db2.gz SWLZGMAJELJHAX-NEPJUHHUSA-N 1 0 323.742 3.375 10 0 DGAERO CCn1cc(CN2CCC[N@H+](C/C=C\c3ccccc3)CC2)cn1 ZINC000254914923 401100463 /nfs/dbraw/zinc/10/04/63/401100463.db2.gz VGKBFLWOVZSPDT-POHAHGRESA-N 1 0 324.472 3.124 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)c2cc3occc3s2)CC1 ZINC000607922985 401150879 /nfs/dbraw/zinc/15/08/79/401150879.db2.gz BAENTODRBFKHEK-UHFFFAOYSA-N 1 0 306.431 3.346 10 0 DGAERO CCc1nc2c(s1)[C@@H]([NH2+]CCN1CC=C(C)CC1)CCC2 ZINC000358240186 286008385 /nfs/dbraw/zinc/00/83/85/286008385.db2.gz QLJHAXLNTJDODS-AWEZNQCLSA-N 1 0 305.491 3.325 10 0 DGAERO C[C@H](C(=O)NC[C@@H]1C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600005913 401169134 /nfs/dbraw/zinc/16/91/34/401169134.db2.gz FLXVFFYRRGJPQV-MDZRGWNJSA-N 1 0 314.473 3.102 10 0 DGAERO Cc1nc([C@H](C)[NH2+]CC[C@H]2COc3ccccc3O2)cs1 ZINC000358280733 286019350 /nfs/dbraw/zinc/01/93/50/286019350.db2.gz BQUFAYDMCYIONT-AAEUAGOBSA-N 1 0 304.415 3.332 10 0 DGAERO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)cc1OC ZINC000358284092 286020220 /nfs/dbraw/zinc/02/02/20/286020220.db2.gz DVKOEUGUIGGWHY-JQWIXIFHSA-N 1 0 321.396 3.156 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(-n2cncn2)cc1 ZINC000358287162 286020879 /nfs/dbraw/zinc/02/08/79/286020879.db2.gz ALICWRABSLQROT-GXTWGEPZSA-N 1 0 306.360 3.496 10 0 DGAERO Brc1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)s1 ZINC000353384448 685136056 /nfs/dbraw/zinc/13/60/56/685136056.db2.gz HZGDXXFCXRLHJR-JTQLQIEISA-N 1 0 312.236 3.401 10 0 DGAERO Cn1ccnc1C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000608076349 401180234 /nfs/dbraw/zinc/18/02/34/401180234.db2.gz ZJYNEBLOOQTDIR-GOSISDBHSA-N 1 0 307.397 3.199 10 0 DGAERO C[N@H+](CCCSCc1ccccc1)CC(=O)NC(C)(C)C ZINC000090512438 401266769 /nfs/dbraw/zinc/26/67/69/401266769.db2.gz TTZHNVDYQVWQIX-UHFFFAOYSA-N 1 0 308.491 3.156 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC000625830603 401228811 /nfs/dbraw/zinc/22/88/11/401228811.db2.gz NFZZOIMQXUHFEY-KCJUWKMLSA-N 1 0 302.205 3.255 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc(Br)cn1 ZINC000634686780 401335272 /nfs/dbraw/zinc/33/52/72/401335272.db2.gz RWZGWFGZEVZVJO-ZYHUDNBSSA-N 1 0 313.239 3.310 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000630579968 401291415 /nfs/dbraw/zinc/29/14/15/401291415.db2.gz ABVRJEHRNCTBET-BDAKNGLRSA-N 1 0 302.205 3.052 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccc(Cl)s1 ZINC000634951066 401386845 /nfs/dbraw/zinc/38/68/45/401386845.db2.gz LWGJNNCVDFKBOG-NXEZZACHSA-N 1 0 307.868 3.019 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccc(F)cc1Cl ZINC000634963558 401390453 /nfs/dbraw/zinc/39/04/53/401390453.db2.gz WTOBZTUMZYGMPN-CMPLNLGQSA-N 1 0 319.829 3.097 10 0 DGAERO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000634986512 401395881 /nfs/dbraw/zinc/39/58/81/401395881.db2.gz XHWNCGZACDPWLB-NSHDSACASA-N 1 0 322.257 3.050 10 0 DGAERO c1ccc(N2CCC([NH2+]CC[C@@H]3CNc4ccccc43)CC2)nc1 ZINC000635024276 401406228 /nfs/dbraw/zinc/40/62/28/401406228.db2.gz VQWLOYVIYLQLEA-MRXNPFEDSA-N 1 0 322.456 3.239 10 0 DGAERO c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000315445054 296609439 /nfs/dbraw/zinc/60/94/39/296609439.db2.gz VUXDZNJNFOPETG-UKRRQHHQSA-N 1 0 314.458 3.174 10 0 DGAERO FC(F)(F)c1sccc1C[NH2+]Cc1cnc2n1CCC2 ZINC000631188025 401419954 /nfs/dbraw/zinc/41/99/54/401419954.db2.gz FMHSMSFWIYMEQA-UHFFFAOYSA-N 1 0 301.337 3.199 10 0 DGAERO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]Cc3cccnc3)[C@H]21 ZINC000631191206 401421142 /nfs/dbraw/zinc/42/11/42/401421142.db2.gz DHFXUGJNJUFLRV-NUEKZKHPSA-N 1 0 315.214 3.272 10 0 DGAERO c1cnc2c(c1)CC[C@@H]([NH2+]Cc1cccc3c1CCOC3)CC2 ZINC000631243846 401435310 /nfs/dbraw/zinc/43/53/10/401435310.db2.gz REAVIQXHFVNZGI-GOSISDBHSA-N 1 0 308.425 3.192 10 0 DGAERO c1cc(N2CCCC2)ncc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000631255380 401438890 /nfs/dbraw/zinc/43/88/90/401438890.db2.gz PWCJSCBEUNLZDI-HKUYNNGSSA-N 1 0 315.461 3.119 10 0 DGAERO c1cn(-c2ccccc2)nc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000631256883 401438952 /nfs/dbraw/zinc/43/89/52/401438952.db2.gz YIBSAMOXKLSSKY-OALUTQOASA-N 1 0 311.429 3.310 10 0 DGAERO c1cnn(-c2cccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)c2)c1 ZINC000631256986 401439648 /nfs/dbraw/zinc/43/96/48/401439648.db2.gz YSFNYCNUWOPZHJ-MOPGFXCFSA-N 1 0 311.429 3.310 10 0 DGAERO c1cc2c(nc(C3CC3)nc2N2CCC(c3ccon3)CC2)[nH]1 ZINC000631371236 401459580 /nfs/dbraw/zinc/45/95/80/401459580.db2.gz AXDAWEXXZMJDLD-UHFFFAOYSA-N 1 0 309.373 3.207 10 0 DGAERO O[C@H](CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(F)F ZINC000631695629 401538292 /nfs/dbraw/zinc/53/82/92/401538292.db2.gz BHEFJZJSFWWUEM-GHMZBOCLSA-N 1 0 307.793 3.483 10 0 DGAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623418072 401512571 /nfs/dbraw/zinc/51/25/71/401512571.db2.gz AYOZWSZHFZQOHO-WDEREUQCSA-N 1 0 320.177 3.120 10 0 DGAERO c1ccc([C@H]2CC[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)O2)cc1 ZINC000631628815 401518659 /nfs/dbraw/zinc/51/86/59/401518659.db2.gz LJSQJRHBUBVSLK-LFDJNIOPSA-N 1 0 313.441 3.454 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000358459129 286068057 /nfs/dbraw/zinc/06/80/57/286068057.db2.gz OOXPBKZCINQGQF-UHFFFAOYSA-N 1 0 309.360 3.398 10 0 DGAERO Brc1ccnc2c1C[N@H+](CCc1ccccc1)CC2 ZINC000623285599 401485974 /nfs/dbraw/zinc/48/59/74/401485974.db2.gz ONAJEXOXHPIDFQ-UHFFFAOYSA-N 1 0 317.230 3.445 10 0 DGAERO c1csc(-c2nc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)cs2)c1 ZINC000631889265 401564885 /nfs/dbraw/zinc/56/48/85/401564885.db2.gz GVCUCADVFHSCHO-JSGCOSHPSA-N 1 0 319.499 3.446 10 0 DGAERO c1ccc(COc2ccccc2C[NH2+][C@H]2CO[C@H](C3CC3)C2)nc1 ZINC000623753324 401576659 /nfs/dbraw/zinc/57/66/59/401576659.db2.gz WPUBDNWAJCFVEW-QUCCMNQESA-N 1 0 324.424 3.318 10 0 DGAERO c1[nH+]cn2cc(-c3nc(-c4coc(C5CCC5)n4)no3)ccc12 ZINC000632240537 401593231 /nfs/dbraw/zinc/59/32/31/401593231.db2.gz KDOQOAIRNXEOHV-UHFFFAOYSA-N 1 0 307.313 3.307 10 0 DGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000623902126 401597147 /nfs/dbraw/zinc/59/71/47/401597147.db2.gz BBFHBSSYCGWSOI-LCLWPZTBSA-N 1 0 316.489 3.444 10 0 DGAERO Cc1nc(C)c(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)o1 ZINC000628210197 401550580 /nfs/dbraw/zinc/55/05/80/401550580.db2.gz KXXREVWEPGJUPQ-GOSISDBHSA-N 1 0 313.445 3.436 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)o1 ZINC000628226296 401553891 /nfs/dbraw/zinc/55/38/91/401553891.db2.gz IMIORAGIWILDJY-CQSZACIVSA-N 1 0 305.809 3.313 10 0 DGAERO c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]3CCOC3)C1)C2 ZINC000623602438 401554084 /nfs/dbraw/zinc/55/40/84/401554084.db2.gz PTVZZZIDKAPJIV-NMLACTOBSA-N 1 0 315.457 3.313 10 0 DGAERO c1cn(-c2ccc(C[NH2+]C[C@@H]3Cc4ccccc4CO3)cc2)cn1 ZINC000623601920 401554172 /nfs/dbraw/zinc/55/41/72/401554172.db2.gz VSQFKXHCROLNBR-FQEVSTJZSA-N 1 0 319.408 3.103 10 0 DGAERO c1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)n(-c2ccccc2)n1 ZINC000623602572 401554224 /nfs/dbraw/zinc/55/42/24/401554224.db2.gz WLUNVZJNTOWHFV-FQEVSTJZSA-N 1 0 319.408 3.103 10 0 DGAERO c1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCN3C3CCCCC3)C2)cc1 ZINC000623614453 401556351 /nfs/dbraw/zinc/55/63/51/401556351.db2.gz HDOSCAURKGUZOW-XLIONFOSSA-N 1 0 313.489 3.262 10 0 DGAERO C=Cn1cc(C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cn1 ZINC000623615666 401556919 /nfs/dbraw/zinc/55/69/19/401556919.db2.gz OPFVTEUGCDJOLO-UKRRQHHQSA-N 1 0 323.318 3.008 10 0 DGAERO Cc1nc(C)c(CNC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)o1 ZINC000628240933 401559090 /nfs/dbraw/zinc/55/90/90/401559090.db2.gz AZYSIKALNPZWLU-GOSISDBHSA-N 1 0 313.445 3.292 10 0 DGAERO c1nnn(-c2ccccc2)c1CN[C@H](c1ccccn1)C1CCC1 ZINC000623638417 401560187 /nfs/dbraw/zinc/56/01/87/401560187.db2.gz FBRMORJJEOAUMF-IBGZPJMESA-N 1 0 319.412 3.293 10 0 DGAERO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632857309 401632488 /nfs/dbraw/zinc/63/24/88/401632488.db2.gz SSUGPXLMVUFBDB-RISCZKNCSA-N 1 0 313.228 3.208 10 0 DGAERO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632857307 401632515 /nfs/dbraw/zinc/63/25/15/401632515.db2.gz SSUGPXLMVUFBDB-FZMZJTMJSA-N 1 0 313.228 3.208 10 0 DGAERO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000632890027 401635535 /nfs/dbraw/zinc/63/55/35/401635535.db2.gz CAHJCZVVTBDJMZ-BDAKNGLRSA-N 1 0 302.205 3.052 10 0 DGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000624308415 401649121 /nfs/dbraw/zinc/64/91/21/401649121.db2.gz LRBLPFHLQYKUKB-LYRGGWFBSA-N 1 0 324.262 3.321 10 0 DGAERO c1nc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000624056956 401620162 /nfs/dbraw/zinc/62/01/62/401620162.db2.gz UQAFGXCWCNLEMO-GJZGRUSLSA-N 1 0 300.427 3.252 10 0 DGAERO CN1C[C@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)CCC1=O ZINC000096803771 545862590 /nfs/dbraw/zinc/86/25/90/545862590.db2.gz QLZJWVPFUYDKAD-MRVPVSSYSA-N 1 0 321.635 3.357 10 0 DGAERO c1ccc(-c2ncc3c(n2)CC[C@H]([NH2+]Cc2ccccn2)C3)cc1 ZINC000624477593 401664249 /nfs/dbraw/zinc/66/42/49/401664249.db2.gz VAGSSMXJEIQGDO-KRWDZBQOSA-N 1 0 316.408 3.186 10 0 DGAERO C[NH+]1CCC(CC(=O)NC[C@@H]2CCCCC(F)(F)C2)CC1 ZINC000358794461 286155764 /nfs/dbraw/zinc/15/57/64/286155764.db2.gz HGTIWVXLHXYBFI-CQSZACIVSA-N 1 0 302.409 3.050 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCc1ccccn1 ZINC000358919055 286187288 /nfs/dbraw/zinc/18/72/88/286187288.db2.gz XOSHLPFJWWKGIQ-IBGZPJMESA-N 1 0 318.424 3.477 10 0 DGAERO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000359025299 286218361 /nfs/dbraw/zinc/21/83/61/286218361.db2.gz GSKQBMZPJRUVSG-OCCSQVGLSA-N 1 0 306.475 3.146 10 0 DGAERO c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCN2CC=CCC2)cc1 ZINC000359061696 286227378 /nfs/dbraw/zinc/22/73/78/286227378.db2.gz CTDLKNPTUKNQCJ-IEBWSBKVSA-N 1 0 300.446 3.006 10 0 DGAERO CCCc1ncc(C(=O)N2CCC(C[NH+](CC)CC)CC2)s1 ZINC000359257131 286270132 /nfs/dbraw/zinc/27/01/32/286270132.db2.gz VMAXIXKEHNKIHU-UHFFFAOYSA-N 1 0 323.506 3.290 10 0 DGAERO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CC1)C(F)F ZINC000359326218 286284682 /nfs/dbraw/zinc/28/46/82/286284682.db2.gz USIMXFUQOIEHAP-NEPJUHHUSA-N 1 0 320.177 3.116 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000359389920 286298345 /nfs/dbraw/zinc/29/83/45/286298345.db2.gz OAMJJXJMKRTGIS-CDEQTRAXSA-N 1 0 308.853 3.308 10 0 DGAERO c1ccc(CSc2cncc(NCC[NH+]3CCCC3)n2)cc1 ZINC000359480805 286317458 /nfs/dbraw/zinc/31/74/58/286317458.db2.gz MMUXXLFGJLJBCX-UHFFFAOYSA-N 1 0 314.458 3.277 10 0 DGAERO CC(=O)c1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)ccc1F ZINC000359536193 286329833 /nfs/dbraw/zinc/32/98/33/286329833.db2.gz JVYXFUGAUHHOJW-CQSZACIVSA-N 1 0 306.381 3.231 10 0 DGAERO COc1ccc([C@@H](C)NC(=O)CC2(C[NH3+])CCCCC2)cc1F ZINC000185345713 286354579 /nfs/dbraw/zinc/35/45/79/286354579.db2.gz DYIXLWMMYOWXHI-CYBMUJFWSA-N 1 0 322.424 3.311 10 0 DGAERO COC1(C[NH2+]CC[C@@H]2COc3ccccc3O2)CCCCC1 ZINC000359699822 286363740 /nfs/dbraw/zinc/36/37/40/286363740.db2.gz KQAKZDRCMMCPID-OAHLLOKOSA-N 1 0 305.418 3.155 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2c(C)noc2C)C12CCOCC2 ZINC000249022703 286403363 /nfs/dbraw/zinc/40/33/63/286403363.db2.gz QWTFCISRKNKWNW-OWCLPIDISA-N 1 0 322.449 3.306 10 0 DGAERO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360044555 286413719 /nfs/dbraw/zinc/41/37/19/286413719.db2.gz GAWFVELCYIWJGB-JZXOWHBKSA-N 1 0 317.477 3.223 10 0 DGAERO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)[C@H](C)OC)CCOCC1 ZINC000360583442 286504118 /nfs/dbraw/zinc/50/41/18/286504118.db2.gz SAPMTMWDWKLYBE-HOTGVXAUSA-N 1 0 321.461 3.065 10 0 DGAERO c1ccc(NCCCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)nc1 ZINC000361888050 286739618 /nfs/dbraw/zinc/73/96/18/286739618.db2.gz IYQYQBUWKGJUQY-RCCFBDPRSA-N 1 0 317.477 3.459 10 0 DGAERO CC[C@H]([NH2+]CCc1cccc(OC)n1)c1ccc(OC)cc1 ZINC000361919028 286744824 /nfs/dbraw/zinc/74/48/24/286744824.db2.gz NJLHYOJFOIZAPY-KRWDZBQOSA-N 1 0 300.402 3.382 10 0 DGAERO CN(C(=O)CSc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000364651789 287049345 /nfs/dbraw/zinc/04/93/45/287049345.db2.gz YUGPQVZAWGMDIN-ZDUSSCGKSA-N 1 0 312.866 3.033 10 0 DGAERO Clc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)s1 ZINC000171942122 164644047 /nfs/dbraw/zinc/64/40/47/164644047.db2.gz IHYIMIYMTSFWTR-CYBMUJFWSA-N 1 0 314.882 3.088 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1Cl ZINC000177218036 164801453 /nfs/dbraw/zinc/80/14/53/164801453.db2.gz PATLLDHOCBAHIC-LBPRGKRZSA-N 1 0 313.792 3.167 10 0 DGAERO c1c(CN2CCC[C@@H]2C[NH+]2CCCC2)[nH]nc1-c1ccccc1 ZINC000179648530 164863801 /nfs/dbraw/zinc/86/38/01/164863801.db2.gz HITQSQFGFRJLCJ-GOSISDBHSA-N 1 0 310.445 3.137 10 0 DGAERO CC(C)[C@H](CSc1ccccc1)[NH2+]CCCN1CCCC1=O ZINC000180007549 164872777 /nfs/dbraw/zinc/87/27/77/164872777.db2.gz JAWFIRZEQLPMHZ-KRWDZBQOSA-N 1 0 320.502 3.405 10 0 DGAERO COc1ccc([C@@H](C)[NH2+]CC[C@H]2c3ccccc3NC2=O)cc1 ZINC000180398958 164881910 /nfs/dbraw/zinc/88/19/10/164881910.db2.gz GRRJFBDATZSQTN-DYVFJYSZSA-N 1 0 310.397 3.472 10 0 DGAERO C[C@H](CCNC(=O)N1CCC[C@H]1c1ccco1)[NH+]1CCCCC1 ZINC000182702676 164943166 /nfs/dbraw/zinc/94/31/66/164943166.db2.gz QUNQPJQLQJBBQT-CVEARBPZSA-N 1 0 319.449 3.391 10 0 DGAERO CC(C)[C@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000185075604 164992292 /nfs/dbraw/zinc/99/22/92/164992292.db2.gz WGJRNIXWWZLEGJ-IAGOWNOFSA-N 1 0 306.425 3.008 10 0 DGAERO C[NH+](C)CC1(CNC(=O)c2c[nH]c3cc(F)ccc23)CCCC1 ZINC000185081294 164992350 /nfs/dbraw/zinc/99/23/50/164992350.db2.gz SPOPFXHUNVLJPQ-UHFFFAOYSA-N 1 0 317.408 3.159 10 0 DGAERO Cc1cccc2c(NCCCO[C@H]3CCOC3)c(C)c[nH+]c12 ZINC000185347709 165000536 /nfs/dbraw/zinc/00/05/36/165000536.db2.gz AMPIJLFKXDXFGT-HNNXBMFYSA-N 1 0 300.402 3.459 10 0 DGAERO CCO[C@H](C)c1nc(CN(C)[C@H](CO)CC(C)C)cs1 ZINC000185362790 165002111 /nfs/dbraw/zinc/00/21/11/165002111.db2.gz VQQODFHSMDKBSR-OCCSQVGLSA-N 1 0 300.468 3.079 10 0 DGAERO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185556083 165008207 /nfs/dbraw/zinc/00/82/07/165008207.db2.gz BVGVSDMESHPSQQ-ZOBUZTSGSA-N 1 0 318.461 3.226 10 0 DGAERO CCc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000185593681 165008946 /nfs/dbraw/zinc/00/89/46/165008946.db2.gz XDKCXRICDMEVMJ-KDOFPFPSSA-N 1 0 324.424 3.342 10 0 DGAERO COc1ccsc1[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000186207552 165033715 /nfs/dbraw/zinc/03/37/15/165033715.db2.gz OHFOUNQKFRWWHV-NEPJUHHUSA-N 1 0 320.462 3.137 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3occc32)C12CCOCC2 ZINC000186239785 165033836 /nfs/dbraw/zinc/03/38/36/165033836.db2.gz FAJAOZDDYVESPT-HYVNUMGLSA-N 1 0 305.418 3.221 10 0 DGAERO O=C(CCc1ccccc1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186529007 165048589 /nfs/dbraw/zinc/04/85/89/165048589.db2.gz ZZKAFXMBRGBAHV-CQSZACIVSA-N 1 0 306.837 3.016 10 0 DGAERO C[C@H]1CN(C2CC[NH+](CCCCc3ccccc3)CC2)CCO1 ZINC000186727346 165056276 /nfs/dbraw/zinc/05/62/76/165056276.db2.gz WCAAZXCKFBAJIE-SFHVURJKSA-N 1 0 316.489 3.194 10 0 DGAERO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000186759162 165059019 /nfs/dbraw/zinc/05/90/19/165059019.db2.gz VZQZGPVIBQHYTG-UHFFFAOYSA-N 1 0 316.376 3.252 10 0 DGAERO COc1cccc([C@H](C)[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186806516 165062314 /nfs/dbraw/zinc/06/23/14/165062314.db2.gz VSNPOIGNJROPKX-AWEZNQCLSA-N 1 0 307.459 3.354 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186996568 165071369 /nfs/dbraw/zinc/07/13/69/165071369.db2.gz NHQVVXAEXBKCJN-UHFFFAOYSA-N 1 0 300.402 3.298 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(c2ccsc2)CC1 ZINC000186984450 165071582 /nfs/dbraw/zinc/07/15/82/165071582.db2.gz COCLGFSTVLCVKH-AWEZNQCLSA-N 1 0 323.506 3.367 10 0 DGAERO Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(C)n1 ZINC000187025852 165073459 /nfs/dbraw/zinc/07/34/59/165073459.db2.gz RLANHHSRSUNHLR-UHFFFAOYSA-N 1 0 321.428 3.121 10 0 DGAERO CCCc1cccc(C[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000187123702 165077316 /nfs/dbraw/zinc/07/73/16/165077316.db2.gz NMKCFYZIXRYYLJ-UHFFFAOYSA-N 1 0 310.445 3.188 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(C)n1 ZINC000187162789 165079029 /nfs/dbraw/zinc/07/90/29/165079029.db2.gz GVJKPASBHCJKFC-IRXDYDNUSA-N 1 0 300.402 3.380 10 0 DGAERO COc1c(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c(C)nn1C ZINC000187593126 165096390 /nfs/dbraw/zinc/09/63/90/165096390.db2.gz KKDYLTUIOBVLSD-GFCCVEGCSA-N 1 0 321.371 3.005 10 0 DGAERO C[C@@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1nccn1C ZINC000187701938 165100736 /nfs/dbraw/zinc/10/07/36/165100736.db2.gz WEVVGGGNZLMBQJ-APWZRJJASA-N 1 0 312.461 3.125 10 0 DGAERO Cc1nn(C)cc1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000187785103 165103907 /nfs/dbraw/zinc/10/39/07/165103907.db2.gz FQEMHHPAGXHMBC-UHFFFAOYSA-N 1 0 318.852 3.458 10 0 DGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000187966034 165106707 /nfs/dbraw/zinc/10/67/07/165106707.db2.gz ORRJAJYZSVKMBO-SCLBCKFNSA-N 1 0 318.392 3.464 10 0 DGAERO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000188062305 165110148 /nfs/dbraw/zinc/11/01/48/165110148.db2.gz NEJAIAYLOMOFBV-DLBZAZTESA-N 1 0 303.446 3.123 10 0 DGAERO Cc1cc(C(=O)N(C)CC2([NH+](C)C)CCC2)c(Cl)cc1F ZINC000188073948 165110651 /nfs/dbraw/zinc/11/06/51/165110651.db2.gz BLPWIIDTDASVAC-UHFFFAOYSA-N 1 0 312.816 3.344 10 0 DGAERO CC1(C)[C@@H]([NH2+]CC2(CCO)CC2)C[C@@H]1OCc1ccccc1 ZINC000188062258 165110997 /nfs/dbraw/zinc/11/09/97/165110997.db2.gz NEJAIAYLOMOFBV-IRXDYDNUSA-N 1 0 303.446 3.123 10 0 DGAERO Cc1nccnc1[C@H](C)[NH2+]C1CCN(c2cccs2)CC1 ZINC000188135350 165115113 /nfs/dbraw/zinc/11/51/13/165115113.db2.gz OJKXGNRWRJCPGR-ZDUSSCGKSA-N 1 0 302.447 3.166 10 0 DGAERO O=C(Nc1cccc(Oc2ccccc2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188194837 165116618 /nfs/dbraw/zinc/11/66/18/165116618.db2.gz GKZDXQGUBIEXGQ-BLLLJJGKSA-N 1 0 300.333 3.117 10 0 DGAERO C[C@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(-c2ccncc2)cc1 ZINC000188247873 165117684 /nfs/dbraw/zinc/11/76/84/165117684.db2.gz NLOGNLQCAOACHC-ZDUSSCGKSA-N 1 0 321.380 3.291 10 0 DGAERO C[C@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccc2ccccc2c1 ZINC000188658119 165131947 /nfs/dbraw/zinc/13/19/47/165131947.db2.gz BCFNJFPZCSBSQC-HNNXBMFYSA-N 1 0 308.425 3.250 10 0 DGAERO O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188737465 165135426 /nfs/dbraw/zinc/13/54/26/165135426.db2.gz NCRWISIAHQPCTL-XBXARRHUSA-N 1 0 312.800 3.273 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC12CCCC2 ZINC000189186470 165151377 /nfs/dbraw/zinc/15/13/77/165151377.db2.gz OBUBAYHWBRZCJD-RHSMWYFYSA-N 1 0 311.429 3.097 10 0 DGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3ccc(F)nc3)C2)c1 ZINC000189437013 165162016 /nfs/dbraw/zinc/16/20/16/165162016.db2.gz JWSTXZZOYSPGAY-CQSZACIVSA-N 1 0 316.376 3.227 10 0 DGAERO c1ccc(NCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)nc1 ZINC000365074948 287094572 /nfs/dbraw/zinc/09/45/72/287094572.db2.gz XRCPGIGYCFGIRE-BRWVUGGUSA-N 1 0 303.450 3.069 10 0 DGAERO CCOC[C@@H]([NH2+][C@H](C)c1nnc(-c2ccccc2)o1)C(C)C ZINC000189818245 165178012 /nfs/dbraw/zinc/17/80/12/165178012.db2.gz KFHWTGPJKMAVFX-UKRRQHHQSA-N 1 0 303.406 3.448 10 0 DGAERO Cc1nc([C@@H]2CCC[N@@H+]2CCC(=O)NC2CCCC2)cs1 ZINC000189836888 165178071 /nfs/dbraw/zinc/17/80/71/165178071.db2.gz LJCRPDICWNFABR-HNNXBMFYSA-N 1 0 307.463 3.037 10 0 DGAERO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2cncc(C)c2)C1 ZINC000189968136 165183774 /nfs/dbraw/zinc/18/37/74/165183774.db2.gz ILVOZMYSGKOMLZ-MOPGFXCFSA-N 1 0 324.424 3.169 10 0 DGAERO CCC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000190307291 165197434 /nfs/dbraw/zinc/19/74/34/165197434.db2.gz DXYGRMOQMLJGJC-YIONKMFJSA-N 1 0 324.465 3.218 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1oc(CC(C)C)nc1C ZINC000190425168 165202564 /nfs/dbraw/zinc/20/25/64/165202564.db2.gz YLUWXWOUTMFDNN-HNNXBMFYSA-N 1 0 321.465 3.176 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cccc(-n2cccn2)c1 ZINC000191054286 165228829 /nfs/dbraw/zinc/22/88/29/165228829.db2.gz RDZMGNBDHBVEDH-KXBFYZLASA-N 1 0 313.445 3.464 10 0 DGAERO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@@H]1CO ZINC000191185074 165235526 /nfs/dbraw/zinc/23/55/26/165235526.db2.gz NZFIPUPRXXDRKI-FZKQIMNGSA-N 1 0 300.377 3.090 10 0 DGAERO C[C@H](CNC(=O)NCc1ccc(C2CC2)cc1)C[NH+]1CCCC1 ZINC000191310134 165241888 /nfs/dbraw/zinc/24/18/88/165241888.db2.gz UJYRPRIDQODWOE-OAHLLOKOSA-N 1 0 315.461 3.095 10 0 DGAERO Cc1ccc2[nH]c([C@@H]3CCCN(CC[NH2+]C(C)C)C3)nc2c1 ZINC000191602962 165260768 /nfs/dbraw/zinc/26/07/68/165260768.db2.gz FTGFIZHODPFRAF-OAHLLOKOSA-N 1 0 300.450 3.049 10 0 DGAERO CCn1cc([C@H]2CN(Cc3ccc(Cl)c(C)c3)CCO2)cn1 ZINC000191705950 165267051 /nfs/dbraw/zinc/26/70/51/165267051.db2.gz HZWKPOFLKOBTEC-QGZVFWFLSA-N 1 0 319.836 3.438 10 0 DGAERO CC1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)OCCCO1 ZINC000192250071 165286429 /nfs/dbraw/zinc/28/64/29/165286429.db2.gz OEBANVMJCHUKBK-UHFFFAOYSA-N 1 0 316.376 3.130 10 0 DGAERO Cc1c[nH+]ccc1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000192498859 165294765 /nfs/dbraw/zinc/29/47/65/165294765.db2.gz UAUJNHTYRDNPGF-HUUCEWRRSA-N 1 0 312.417 3.011 10 0 DGAERO CCc1onc(C)c1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000192681119 165302063 /nfs/dbraw/zinc/30/20/63/165302063.db2.gz XFUXUTIGPAPRGK-OAHLLOKOSA-N 1 0 321.465 3.032 10 0 DGAERO Cc1csc([C@@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)n1 ZINC000193047454 165316667 /nfs/dbraw/zinc/31/66/67/165316667.db2.gz HLQPHDCZAUDRAL-HUUCEWRRSA-N 1 0 310.463 3.174 10 0 DGAERO O=C(NCC[NH2+]C(c1ccccc1)c1ccccc1)c1ccco1 ZINC000193196684 165320852 /nfs/dbraw/zinc/32/08/52/165320852.db2.gz UXOKFZOVPOAIBW-UHFFFAOYSA-N 1 0 320.392 3.389 10 0 DGAERO CC(C)Cn1ccnc1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193309806 165322746 /nfs/dbraw/zinc/32/27/46/165322746.db2.gz VDMJBFYDQDZMMC-UHFFFAOYSA-N 1 0 313.445 3.196 10 0 DGAERO CCCCS[C@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193515746 165326347 /nfs/dbraw/zinc/32/63/47/165326347.db2.gz RMOSBGVXOZVTFR-OAHLLOKOSA-N 1 0 312.523 3.243 10 0 DGAERO CCOc1cccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000193516214 165327351 /nfs/dbraw/zinc/32/73/51/165327351.db2.gz MGVQBGITZASKGL-UHFFFAOYSA-N 1 0 316.445 3.033 10 0 DGAERO c1cc2n(c1)CCN(CCC[NH+]1CCCC1)[C@@H]2c1ccccc1 ZINC000193468061 165327427 /nfs/dbraw/zinc/32/74/27/165327427.db2.gz XKEIZIXCUAUSES-HXUWFJFHSA-N 1 0 309.457 3.379 10 0 DGAERO CC[C@H](C)Oc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000193695786 165328623 /nfs/dbraw/zinc/32/86/23/165328623.db2.gz NTLSZHWURQHCEV-AWEZNQCLSA-N 1 0 319.449 3.422 10 0 DGAERO C=Cn1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cn1 ZINC000194359183 165344608 /nfs/dbraw/zinc/34/46/08/165344608.db2.gz JNLZCMQQGHVDGA-CQSZACIVSA-N 1 0 307.401 3.329 10 0 DGAERO CC(C)c1csc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000194440620 165346302 /nfs/dbraw/zinc/34/63/02/165346302.db2.gz KWSJDGONFLQYOD-ZDUSSCGKSA-N 1 0 322.478 3.359 10 0 DGAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194518768 165348638 /nfs/dbraw/zinc/34/86/38/165348638.db2.gz SNQHNNZVBMSILM-RDTXWAMCSA-N 1 0 315.461 3.224 10 0 DGAERO C[C@H](CC[NH2+][C@@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000194621837 165350669 /nfs/dbraw/zinc/35/06/69/165350669.db2.gz AGWBIAZAQFAYSF-VQIMIIECSA-N 1 0 323.440 3.360 10 0 DGAERO C[C@@H]1CN(Cc2cc(Br)c(Cl)s2)C[C@@H](C)[NH2+]1 ZINC000227908275 165388852 /nfs/dbraw/zinc/38/88/52/165388852.db2.gz NDAWQDFKLVOWGB-HTQZYQBOSA-N 1 0 323.687 3.346 10 0 DGAERO Cc1csc([C@H]2CCCN(Cc3nc(CC(C)C)no3)C2)n1 ZINC000195325963 165364627 /nfs/dbraw/zinc/36/46/27/165364627.db2.gz NOJYOZXHWCPHSU-ZDUSSCGKSA-N 1 0 320.462 3.413 10 0 DGAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)sc2cccc(F)c12 ZINC000195319092 165365962 /nfs/dbraw/zinc/36/59/62/165365962.db2.gz DCMNUMZRSRJXMJ-GFCCVEGCSA-N 1 0 318.417 3.269 10 0 DGAERO CCc1csc([C@@H]2CCCN(CC(=O)N[C@@H](C)C(C)C)C2)n1 ZINC000195380656 165369032 /nfs/dbraw/zinc/36/90/32/165369032.db2.gz YZRLCTQOJKZCJG-UONOGXRCSA-N 1 0 323.506 3.046 10 0 DGAERO COc1ccc(CCN2CCO[C@H](c3nc(C)cs3)C2)cc1 ZINC000195389661 165369117 /nfs/dbraw/zinc/36/91/17/165369117.db2.gz FYHNYINQDAZEOA-INIZCTEOSA-N 1 0 318.442 3.076 10 0 DGAERO Cc1csc([C@@H]2CN(CCCOc3ccccc3)CCO2)n1 ZINC000195390712 165369322 /nfs/dbraw/zinc/36/93/22/165369322.db2.gz GKIZNBZNTPAVIB-INIZCTEOSA-N 1 0 318.442 3.294 10 0 DGAERO C[C@@H]1CCCCN1C(=O)CN1CCCC[C@@H]1c1nccs1 ZINC000195440089 165370673 /nfs/dbraw/zinc/37/06/73/165370673.db2.gz GRJYPEODXDQQDP-ZIAGYGMSSA-N 1 0 307.463 3.071 10 0 DGAERO Cc1ccc(CN2CCCC[C@@H]2[C@H](C)[NH3+])cc1Br ZINC000228902336 165390686 /nfs/dbraw/zinc/39/06/86/165390686.db2.gz FKWVMGCKWLCKIV-SWLSCSKDSA-N 1 0 311.267 3.459 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(C)s1 ZINC000246423824 165517844 /nfs/dbraw/zinc/51/78/44/165517844.db2.gz MIOVNZCINKWWDB-ZFWWWQNUSA-N 1 0 321.490 3.306 10 0 DGAERO Clc1ccc(-c2cnc(CN3CC[N@@H+]4CCC[C@H]4C3)o2)cc1 ZINC000246720651 165534857 /nfs/dbraw/zinc/53/48/57/165534857.db2.gz VAMZOXIXUJMNQY-HNNXBMFYSA-N 1 0 317.820 3.275 10 0 DGAERO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cn1 ZINC000247100370 165564488 /nfs/dbraw/zinc/56/44/88/165564488.db2.gz OOKZJUVZZVLYSY-USXIJHARSA-N 1 0 301.438 3.495 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@H](C)c3ccccc3)[C@@H]2C1 ZINC000249038253 165664365 /nfs/dbraw/zinc/66/43/65/165664365.db2.gz MPLXAGKYNBWUJC-AITUJVMLSA-N 1 0 303.446 3.449 10 0 DGAERO CC1(C)CN(C(=O)c2ccc3c4c(cccc42)CC3)CC[C@@H]1[NH3+] ZINC000261921276 165764861 /nfs/dbraw/zinc/76/48/61/165764861.db2.gz VBUBQTQVHXKQDA-KRWDZBQOSA-N 1 0 308.425 3.138 10 0 DGAERO CC1(C)CN(Cc2c(F)cccc2Br)CC[C@H]1[NH3+] ZINC000261992463 165774504 /nfs/dbraw/zinc/77/45/04/165774504.db2.gz SMKMUTXKIMYJCM-CYBMUJFWSA-N 1 0 315.230 3.147 10 0 DGAERO CC1(C)CN(C(=O)c2cnc(-c3ccsc3)s2)CC[C@H]1[NH3+] ZINC000262070808 165783963 /nfs/dbraw/zinc/78/39/63/165783963.db2.gz SKKGTFXGEKDKKI-GFCCVEGCSA-N 1 0 321.471 3.071 10 0 DGAERO CCN(c1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1)C(C)C ZINC000262090066 165784405 /nfs/dbraw/zinc/78/44/05/165784405.db2.gz UHOMCFCCQYCBIR-QGZVFWFLSA-N 1 0 317.477 3.121 10 0 DGAERO FC(F)Oc1c(Cl)cc(Cl)cc1CNC1=[NH+]CCCN1 ZINC000262403738 165800881 /nfs/dbraw/zinc/80/08/81/165800881.db2.gz OEAAQHZLRKSECV-UHFFFAOYSA-N 1 0 324.158 3.034 10 0 DGAERO C[NH+](C)[C@H](CNC(=O)N1CCCC12CCC2)c1cccc(F)c1 ZINC000365633540 287156441 /nfs/dbraw/zinc/15/64/41/287156441.db2.gz DWLFAUYRDQFYGC-MRXNPFEDSA-N 1 0 319.424 3.157 10 0 DGAERO COc1cc(C)cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1C ZINC000365838471 287178659 /nfs/dbraw/zinc/17/86/59/287178659.db2.gz OKRQZOARDKCNNO-HNNXBMFYSA-N 1 0 317.433 3.014 10 0 DGAERO c1cc(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)o2)n[nH]1 ZINC000366028070 287202139 /nfs/dbraw/zinc/20/21/39/287202139.db2.gz SZQMFTZSZRWLFQ-IAOVAPTHSA-N 1 0 313.401 3.107 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C12CCC2 ZINC000366040402 287203576 /nfs/dbraw/zinc/20/35/76/287203576.db2.gz OWHWMRIKNJCKRX-JKSUJKDBSA-N 1 0 301.390 3.107 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1F ZINC000245957762 287229520 /nfs/dbraw/zinc/22/95/20/287229520.db2.gz CGTBCGYNAOGEOZ-NEPJUHHUSA-N 1 0 310.800 3.178 10 0 DGAERO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129189862 196027579 /nfs/dbraw/zinc/02/75/79/196027579.db2.gz UAVAYRYEBWYQCN-RAQOOLMWSA-N 1 0 324.877 3.220 10 0 DGAERO CCN(C(=O)N[C@H]1CCC[N@H+](CC)C1)[C@@H](C)Cc1ccsc1 ZINC000190393233 432151825 /nfs/dbraw/zinc/15/18/25/432151825.db2.gz VEBBCOBFLZHTOJ-HOCLYGCPSA-N 1 0 323.506 3.195 10 0 DGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000181956751 432152511 /nfs/dbraw/zinc/15/25/11/432152511.db2.gz XLSPETFEZTUFJB-MRXNPFEDSA-N 1 0 321.465 3.168 10 0 DGAERO COc1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c(OC)c1 ZINC000190396502 432152538 /nfs/dbraw/zinc/15/25/38/432152538.db2.gz NFSXWKFZMCDWQQ-UHFFFAOYSA-N 1 0 315.413 3.359 10 0 DGAERO c1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)CC2 ZINC000171597773 432150756 /nfs/dbraw/zinc/15/07/56/432150756.db2.gz VUYDYCGXFQTAIY-RBUKOAKNSA-N 1 0 318.424 3.167 10 0 DGAERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000246746442 432160121 /nfs/dbraw/zinc/16/01/21/432160121.db2.gz YZQJBVGCMZMRSW-HEHGZKQESA-N 1 0 323.868 3.383 10 0 DGAERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000190465207 432160310 /nfs/dbraw/zinc/16/03/10/432160310.db2.gz XALOBPGXSGOSKC-AWEZNQCLSA-N 1 0 321.515 3.467 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc(Cl)c3)C2)c1 ZINC000246739045 432160305 /nfs/dbraw/zinc/16/03/05/432160305.db2.gz NVUKOZYUQXGVDS-IAGOWNOFSA-N 1 0 319.836 3.215 10 0 DGAERO Cc1cc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)s1 ZINC000246739282 432160696 /nfs/dbraw/zinc/16/06/96/432160696.db2.gz AXAPFBYNFTVSHC-PVXIVEMSSA-N 1 0 323.506 3.454 10 0 DGAERO CSc1ccccc1NC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000171695052 432161871 /nfs/dbraw/zinc/16/18/71/432161871.db2.gz YPONLGWAIPWFIP-LBPRGKRZSA-N 1 0 310.488 3.174 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](C3CCCCC3)CC2)o1 ZINC000136413874 432154322 /nfs/dbraw/zinc/15/43/22/432154322.db2.gz GUKGQQMJSNVSBP-OAHLLOKOSA-N 1 0 319.449 3.309 10 0 DGAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000190424552 432154937 /nfs/dbraw/zinc/15/49/37/432154937.db2.gz DXYAIGGYJVJYBK-IINYFYTJSA-N 1 0 316.239 3.269 10 0 DGAERO CCn1c(C[N@@H+]2CCSC[C@@H](C)C2)nc2cc(F)ccc21 ZINC000190420631 432155212 /nfs/dbraw/zinc/15/52/12/432155212.db2.gz FKBQGEOTRMBANE-LBPRGKRZSA-N 1 0 307.438 3.380 10 0 DGAERO CCc1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)ccc1C ZINC000182004983 432155307 /nfs/dbraw/zinc/15/53/07/432155307.db2.gz WNGLWTFZBFUTHO-UHFFFAOYSA-N 1 0 301.434 3.306 10 0 DGAERO COc1cc(Br)ccc1C[N@H+](C)[C@H]1CCSC1 ZINC000182079100 432155591 /nfs/dbraw/zinc/15/55/91/432155591.db2.gz UNPJCDVBBISDBW-LBPRGKRZSA-N 1 0 316.264 3.395 10 0 DGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc3ccccc3c2)C1 ZINC000246700307 432155870 /nfs/dbraw/zinc/15/58/70/432155870.db2.gz NGDRGHQUYLICBU-PMACEKPBSA-N 1 0 322.452 3.325 10 0 DGAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000182038214 432156243 /nfs/dbraw/zinc/15/62/43/432156243.db2.gz NCNYZYQEAGJDEW-MRXNPFEDSA-N 1 0 320.433 3.047 10 0 DGAERO CSC[C@@H](CCO)[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182094430 432158969 /nfs/dbraw/zinc/15/89/69/432158969.db2.gz UWCHBCQVIGSEDQ-IUODEOHRSA-N 1 0 303.418 3.366 10 0 DGAERO CC(C)COC1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182256964 432172049 /nfs/dbraw/zinc/17/20/49/432172049.db2.gz GKLRLZFBJGXOSC-SFHVURJKSA-N 1 0 305.462 3.117 10 0 DGAERO Cc1nnc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)n1C1CC1 ZINC000246764563 432162755 /nfs/dbraw/zinc/16/27/55/432162755.db2.gz NFPLZXZYNGUIJM-DOMZBBRYSA-N 1 0 314.408 3.439 10 0 DGAERO CC(C)[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1 ZINC000182147711 432162807 /nfs/dbraw/zinc/16/28/07/432162807.db2.gz XJYZYEQUHUVJIZ-PXAZEXFGSA-N 1 0 308.372 3.015 10 0 DGAERO Cc1ccc(OCCC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1C ZINC000171705713 432162911 /nfs/dbraw/zinc/16/29/11/432162911.db2.gz FBXIBVSPVHBYOB-QGZVFWFLSA-N 1 0 314.433 3.001 10 0 DGAERO C[C@@H]1CC[C@@H](C)N(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000246753699 432163642 /nfs/dbraw/zinc/16/36/42/432163642.db2.gz PRADTQMDYFGECN-BZUAXINKSA-N 1 0 319.449 3.247 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129545767 196056432 /nfs/dbraw/zinc/05/64/32/196056432.db2.gz STQNONJGEQWQJV-LJQANCHMSA-N 1 0 324.424 3.013 10 0 DGAERO CCOc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246777676 432164930 /nfs/dbraw/zinc/16/49/30/432164930.db2.gz HDJARLRJMYZGSJ-UONOGXRCSA-N 1 0 305.422 3.032 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)c2ccc(F)cc2F)C1 ZINC000246801461 432166007 /nfs/dbraw/zinc/16/60/07/432166007.db2.gz SSBZPXPXZSZBLC-JSGCOSHPSA-N 1 0 310.388 3.059 10 0 DGAERO Cc1cc(F)ccc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000136962307 432166222 /nfs/dbraw/zinc/16/62/22/432166222.db2.gz BWSURDOHYPMASM-QGZVFWFLSA-N 1 0 300.377 3.167 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(OC)c1 ZINC000136938507 432166516 /nfs/dbraw/zinc/16/65/16/432166516.db2.gz IVCIFZPNPHPIJG-UONOGXRCSA-N 1 0 322.836 3.047 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000246849705 432172212 /nfs/dbraw/zinc/17/22/12/432172212.db2.gz FQDBDWDTLYZZAK-LRDDRELGSA-N 1 0 310.388 3.059 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(C(C)C)cs1 ZINC000246818347 432167855 /nfs/dbraw/zinc/16/78/55/432167855.db2.gz AFEUNFSGLVEWFD-OLZOCXBDSA-N 1 0 322.478 3.357 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1scnc1C(C)(C)C ZINC000137107057 432169499 /nfs/dbraw/zinc/16/94/99/432169499.db2.gz LFEDFBFIGJLTCN-LBPRGKRZSA-N 1 0 311.495 3.147 10 0 DGAERO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](CCc2ccccc2)C1 ZINC000246899133 432177318 /nfs/dbraw/zinc/17/73/18/432177318.db2.gz XQIPNTSIWUDLMA-QAPCUYQASA-N 1 0 303.352 3.315 10 0 DGAERO CCOc1ccc([C@@H](C)[NH2+]CC2(C)OCCCO2)cc1OCC ZINC000190657127 432180461 /nfs/dbraw/zinc/18/04/61/432180461.db2.gz HVIHZYOHJHKDJQ-CQSZACIVSA-N 1 0 323.433 3.288 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000246918861 432181343 /nfs/dbraw/zinc/18/13/43/432181343.db2.gz IHTRYPJWQZAIPW-SQNIBIBYSA-N 1 0 300.446 3.124 10 0 DGAERO CC(C)C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171898373 432181492 /nfs/dbraw/zinc/18/14/92/432181492.db2.gz XWZFPDDPIGHENL-MSOLQXFVSA-N 1 0 315.461 3.263 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246843595 432172676 /nfs/dbraw/zinc/17/26/76/432172676.db2.gz CONHARVOGIFGIO-QYZOEREBSA-N 1 0 314.473 3.466 10 0 DGAERO O[C@H](C[C@H]1CCC[N@@H+]1Cc1cccnc1)c1ccc(F)cc1 ZINC000246949343 432182288 /nfs/dbraw/zinc/18/22/88/432182288.db2.gz UNQHTWFBQNROHM-QZTJIDSGSA-N 1 0 300.377 3.309 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000171808487 432173562 /nfs/dbraw/zinc/17/35/62/432173562.db2.gz OKJUUCPDCCHANI-HOCLYGCPSA-N 1 0 306.475 3.158 10 0 DGAERO CC[C@H](Sc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000171808481 432174362 /nfs/dbraw/zinc/17/43/62/432174362.db2.gz OKJUUCPDCCHANI-ZBFHGGJFSA-N 1 0 306.475 3.158 10 0 DGAERO CC[C@@H]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000246860167 432174969 /nfs/dbraw/zinc/17/49/69/432174969.db2.gz DEIIBQORQVQEOT-OZSLIKBDSA-N 1 0 307.482 3.270 10 0 DGAERO CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000246876594 432175881 /nfs/dbraw/zinc/17/58/81/432175881.db2.gz CLFYHLDLMGRYPE-DOTOQJQBSA-N 1 0 320.477 3.399 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246972893 432185842 /nfs/dbraw/zinc/18/58/42/432185842.db2.gz LHLDKJAPRXFEOW-FHWLQOOXSA-N 1 0 312.457 3.220 10 0 DGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@H]1C ZINC000246978909 432186110 /nfs/dbraw/zinc/18/61/10/432186110.db2.gz JXVWTKRRIQONEQ-BREBYQMCSA-N 1 0 311.223 3.164 10 0 DGAERO Clc1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246982444 432187149 /nfs/dbraw/zinc/18/71/49/432187149.db2.gz VXWYAGXRWJHHPA-BBRMVZONSA-N 1 0 305.853 3.184 10 0 DGAERO Cc1ccccc1[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000171978850 432187368 /nfs/dbraw/zinc/18/73/68/432187368.db2.gz RASLOAHBIAOROS-SJLPKXTDSA-N 1 0 315.461 3.182 10 0 DGAERO CCCc1nc(CN(C)[C@H]2C[C@@H](OCC)C23CCCC3)no1 ZINC000246985611 432189014 /nfs/dbraw/zinc/18/90/14/432189014.db2.gz MGCBYPDDKSCVAC-UONOGXRCSA-N 1 0 307.438 3.192 10 0 DGAERO CCOc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)ccc1C ZINC000247008450 432190181 /nfs/dbraw/zinc/19/01/81/432190181.db2.gz QVCVKGMPYIPXDX-SJORKVTESA-N 1 0 316.445 3.093 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000182443496 432190481 /nfs/dbraw/zinc/19/04/81/432190481.db2.gz KPTYYCGOVXAHKY-IBGZPJMESA-N 1 0 313.445 3.263 10 0 DGAERO CC[C@H](C)[N@H+](C)CCN[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000247019974 432192243 /nfs/dbraw/zinc/19/22/43/432192243.db2.gz MUYFXGYDRMRXJR-UONOGXRCSA-N 1 0 321.465 3.035 10 0 DGAERO Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCN(C)[C@@H](C)C3)C2)cc1 ZINC000247066146 432198451 /nfs/dbraw/zinc/19/84/51/432198451.db2.gz MSDUCGWNFNMHCY-BZSNNMDCSA-N 1 0 301.478 3.036 10 0 DGAERO CC(=O)c1ccc(NC(=O)N2CC[NH+](C(C)C)CC2)cc1Cl ZINC000182516682 432199274 /nfs/dbraw/zinc/19/92/74/432199274.db2.gz OQGKSMBZVXVMKE-UHFFFAOYSA-N 1 0 323.824 3.101 10 0 DGAERO CCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1OCC ZINC000247016738 432192981 /nfs/dbraw/zinc/19/29/81/432192981.db2.gz FYMYOWMCWKQXAH-WBVHZDCISA-N 1 0 318.461 3.153 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)nc2ccccc21 ZINC000247017190 432192993 /nfs/dbraw/zinc/19/29/93/432192993.db2.gz SCSMLNXLBKAQQM-HOTGVXAUSA-N 1 0 323.440 3.242 10 0 DGAERO CCOC(=O)[C@H](C)N(Cc1cc(F)cc2cccnc21)C1CC1 ZINC000190836360 432193108 /nfs/dbraw/zinc/19/31/08/432193108.db2.gz QQNWBSQQEKFACY-LBPRGKRZSA-N 1 0 316.376 3.290 10 0 DGAERO CCOC(=O)[C@@H](C)N(Cc1cc(F)cc2cccnc21)C1CC1 ZINC000190836343 432193681 /nfs/dbraw/zinc/19/36/81/432193681.db2.gz QQNWBSQQEKFACY-GFCCVEGCSA-N 1 0 316.376 3.290 10 0 DGAERO Cc1ccccc1[C@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247047867 432196789 /nfs/dbraw/zinc/19/67/89/432196789.db2.gz ARYIMGLSEXLPSI-SJORKVTESA-N 1 0 300.446 3.185 10 0 DGAERO c1ccc(Oc2cccnc2)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000172192529 432201197 /nfs/dbraw/zinc/20/11/97/432201197.db2.gz YPCQPZJANWFOEY-QGZVFWFLSA-N 1 0 309.413 3.154 10 0 DGAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N1CCc2sccc2C1 ZINC000172171538 432201976 /nfs/dbraw/zinc/20/19/76/432201976.db2.gz FQFAHZLGCXKAKX-STQMWFEESA-N 1 0 306.475 3.190 10 0 DGAERO C[NH+](C)C[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000172173880 432202294 /nfs/dbraw/zinc/20/22/94/432202294.db2.gz BEKFWFBHGLYRFH-LLVKDONJSA-N 1 0 306.793 3.110 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(OCC2CC2)cc1 ZINC000172230937 432202661 /nfs/dbraw/zinc/20/26/61/432202661.db2.gz DMSHWSLLNSPRKA-CQSZACIVSA-N 1 0 319.449 3.327 10 0 DGAERO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000172232732 432203322 /nfs/dbraw/zinc/20/33/22/432203322.db2.gz CKNKFMMCNVPJEO-HNNXBMFYSA-N 1 0 307.482 3.083 10 0 DGAERO CCc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)COCC(C)C)o1 ZINC000130974726 196128494 /nfs/dbraw/zinc/12/84/94/196128494.db2.gz GKFSZSCYNQNYJW-DOTOQJQBSA-N 1 0 309.450 3.403 10 0 DGAERO CSc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247153872 432207071 /nfs/dbraw/zinc/20/70/71/432207071.db2.gz UKXBHSNBWCSDGY-STQMWFEESA-N 1 0 305.447 3.109 10 0 DGAERO COC(=O)c1ccccc1OCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000182582695 432207485 /nfs/dbraw/zinc/20/74/85/432207485.db2.gz ZHOFJYCITUHHHD-ZDUSSCGKSA-N 1 0 303.358 3.104 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)CC[C@H]21 ZINC000247190310 432208471 /nfs/dbraw/zinc/20/84/71/432208471.db2.gz VTABPQXLKRPLJH-IUODEOHRSA-N 1 0 307.825 3.288 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000247171266 432209616 /nfs/dbraw/zinc/20/96/16/432209616.db2.gz ATQULABXJPGVBY-ZFWWWQNUSA-N 1 0 300.402 3.235 10 0 DGAERO CCOC(=O)C1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000182622865 432211803 /nfs/dbraw/zinc/21/18/03/432211803.db2.gz HOWQSEMTNKGIAV-GPANFISMSA-N 1 0 309.450 3.190 10 0 DGAERO CCOC(=O)c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)o1 ZINC000182623483 432212543 /nfs/dbraw/zinc/21/25/43/432212543.db2.gz IYBTXOSVNJTPLT-CYBMUJFWSA-N 1 0 307.390 3.038 10 0 DGAERO COc1ccnc(CN[C@H](C)c2ccc(F)c(F)c2)c1OC ZINC000191039206 432214521 /nfs/dbraw/zinc/21/45/21/432214521.db2.gz JMSSSVFTEXJDDU-SNVBAGLBSA-N 1 0 308.328 3.228 10 0 DGAERO Cc1[nH]c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1C ZINC000247244945 432215138 /nfs/dbraw/zinc/21/51/38/432215138.db2.gz DLOJVIYEBPZMGI-BLLLJJGKSA-N 1 0 313.445 3.339 10 0 DGAERO Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000191050593 432215701 /nfs/dbraw/zinc/21/57/01/432215701.db2.gz OMHOJPURQSWYTF-AAEUAGOBSA-N 1 0 314.351 3.100 10 0 DGAERO COC[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000191061130 432215778 /nfs/dbraw/zinc/21/57/78/432215778.db2.gz CJRWMQPTCZFIOR-RHSMWYFYSA-N 1 0 313.388 3.183 10 0 DGAERO CCc1cnccc1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000182570096 432204946 /nfs/dbraw/zinc/20/49/46/432204946.db2.gz WIXAKVAAAVOHJY-YJBOKZPZSA-N 1 0 323.440 3.037 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)C1(C)C ZINC000150955199 432205241 /nfs/dbraw/zinc/20/52/41/432205241.db2.gz TUSLRHHQDATIQS-IAOVAPTHSA-N 1 0 314.433 3.122 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc4ccccc34)CC[C@H]21 ZINC000247133436 432205568 /nfs/dbraw/zinc/20/55/68/432205568.db2.gz AURHUZPVVKHUCM-CZUORRHYSA-N 1 0 314.454 3.458 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2cccc(C)c2C)C1 ZINC000247144945 432205835 /nfs/dbraw/zinc/20/58/35/432205835.db2.gz HZGFMNFTGYRNEF-CVEARBPZSA-N 1 0 303.450 3.148 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000191133151 432225010 /nfs/dbraw/zinc/22/50/10/432225010.db2.gz LKALFTHWQCMAFQ-CHWSQXEVSA-N 1 0 322.474 3.194 10 0 DGAERO C[C@@H](NC(=O)NCCC1=CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182767896 432226855 /nfs/dbraw/zinc/22/68/55/432226855.db2.gz WBNUGRUHDZODTD-WBVHZDCISA-N 1 0 319.493 3.439 10 0 DGAERO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000131423500 196167742 /nfs/dbraw/zinc/16/77/42/196167742.db2.gz ZTQPKRSGHYKPDL-LBPRGKRZSA-N 1 0 303.431 3.023 10 0 DGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000247395182 432227773 /nfs/dbraw/zinc/22/77/73/432227773.db2.gz QRPTZJDTFISITB-CVEARBPZSA-N 1 0 319.449 3.104 10 0 DGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCc2ccccc2Cl)C1 ZINC000247395069 432227820 /nfs/dbraw/zinc/22/78/20/432227820.db2.gz QRGXJCGEFSYKBJ-XJKSGUPXSA-N 1 0 308.853 3.118 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000247397192 432227959 /nfs/dbraw/zinc/22/79/59/432227959.db2.gz PDQFDCNOTWXVNP-FZMZJTMJSA-N 1 0 317.820 3.130 10 0 DGAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1cccc(Cl)c1 ZINC000247404666 432228280 /nfs/dbraw/zinc/22/82/80/432228280.db2.gz PQCZEBIDJVFWHB-WWGRRREGSA-N 1 0 321.852 3.279 10 0 DGAERO CCn1nccc1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000131488163 196173952 /nfs/dbraw/zinc/17/39/52/196173952.db2.gz HZRMQFCXAWKROL-UHFFFAOYSA-N 1 0 324.472 3.178 10 0 DGAERO C[C@H](NC(=O)NCC1(C)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182695399 432219243 /nfs/dbraw/zinc/21/92/43/432219243.db2.gz ZVQFNFRDBBVULI-LSDHHAIUSA-N 1 0 307.482 3.129 10 0 DGAERO CCc1cccc(C)c1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247296195 432220734 /nfs/dbraw/zinc/22/07/34/432220734.db2.gz HSDFGQSLSWXDFW-ZBFHGGJFSA-N 1 0 301.434 3.258 10 0 DGAERO Cc1oc(-c2cccs2)nc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247309352 432221346 /nfs/dbraw/zinc/22/13/46/432221346.db2.gz NXQFEKZCQNECEZ-OCCSQVGLSA-N 1 0 317.458 3.380 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1ccccc1Cl ZINC000247316156 432221828 /nfs/dbraw/zinc/22/18/28/432221828.db2.gz OJNHJWDEMGAXKG-OLZOCXBDSA-N 1 0 324.877 3.127 10 0 DGAERO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000247333325 432223075 /nfs/dbraw/zinc/22/30/75/432223075.db2.gz NCCGQWHAJWSFAS-JQHSSLGASA-N 1 0 302.462 3.271 10 0 DGAERO COc1ccc(CC2CC[NH+](CCCn3ccnc3)CC2)cc1 ZINC000182743772 432223889 /nfs/dbraw/zinc/22/38/89/432223889.db2.gz JCBRVZDAMAUCMC-UHFFFAOYSA-N 1 0 313.445 3.237 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000247357358 432224652 /nfs/dbraw/zinc/22/46/52/432224652.db2.gz JZLMCNZRMUSPMG-PKOBYXMFSA-N 1 0 316.489 3.425 10 0 DGAERO C[C@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)O1 ZINC000132030777 196220051 /nfs/dbraw/zinc/22/00/51/196220051.db2.gz GTTAACQTTVJVOM-MAUKXSAKSA-N 1 0 316.445 3.425 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC000132296481 196242610 /nfs/dbraw/zinc/24/26/10/196242610.db2.gz AICYOVBBBKRIAY-UHFFFAOYSA-N 1 0 315.442 3.487 10 0 DGAERO C[C@@H](N1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1)C(F)(F)F ZINC000132731485 196278966 /nfs/dbraw/zinc/27/89/66/196278966.db2.gz SVXWKSDVUDTWPG-LSDHHAIUSA-N 1 0 314.395 3.434 10 0 DGAERO Cc1cc(F)ccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000132924183 196297078 /nfs/dbraw/zinc/29/70/78/196297078.db2.gz KZBSRUIRKZSKAJ-UHFFFAOYSA-N 1 0 304.409 3.082 10 0 DGAERO CN1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CCC1=O ZINC000133024927 196305851 /nfs/dbraw/zinc/30/58/51/196305851.db2.gz SXONPVKFGZFQDZ-PKOBYXMFSA-N 1 0 312.388 3.126 10 0 DGAERO NC(=O)C1CCC([NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000133199216 196320766 /nfs/dbraw/zinc/32/07/66/196320766.db2.gz AABYOSXKIJDTPZ-UHFFFAOYSA-N 1 0 306.793 3.220 10 0 DGAERO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C)cc1C)c1nccs1 ZINC000134237723 196372816 /nfs/dbraw/zinc/37/28/16/196372816.db2.gz XLOWKIZBCBBCAQ-LSDHHAIUSA-N 1 0 320.458 3.241 10 0 DGAERO COc1cc(C[NH2+][C@H]2CC[C@@H](C)C2)cc(Br)c1O ZINC000135172334 196450852 /nfs/dbraw/zinc/45/08/52/196450852.db2.gz RECZYCXODYVORO-KOLCDFICSA-N 1 0 314.223 3.442 10 0 DGAERO COc1cc([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)ccc1F ZINC000152571331 227073696 /nfs/dbraw/zinc/07/36/96/227073696.db2.gz IWDGJFFUVQPSRS-IUODEOHRSA-N 1 0 306.381 3.381 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccoc1C(F)(F)F ZINC000291292652 222292073 /nfs/dbraw/zinc/29/20/73/222292073.db2.gz MMQPRPOXMNOLHG-LLVKDONJSA-N 1 0 318.339 3.293 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000172170111 228274736 /nfs/dbraw/zinc/27/47/36/228274736.db2.gz PREMBCXLWKLQQL-HOTGVXAUSA-N 1 0 302.462 3.211 10 0 DGAERO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC1(C)CCC1 ZINC000175001329 228295518 /nfs/dbraw/zinc/29/55/18/228295518.db2.gz FGZNJGWHXWHLAC-UHFFFAOYSA-N 1 0 321.440 3.089 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(-c2ccccc2)cc1 ZINC000175423430 228300174 /nfs/dbraw/zinc/30/01/74/228300174.db2.gz IQENDGBNVPPALW-OXJNMPFZSA-N 1 0 310.441 3.335 10 0 DGAERO Cc1cc(CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)s1 ZINC000175414216 228300338 /nfs/dbraw/zinc/30/03/38/228300338.db2.gz UQXHUTYQPJFESL-GUYCJALGSA-N 1 0 320.502 3.383 10 0 DGAERO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)C1CCCC1 ZINC000176518629 228314349 /nfs/dbraw/zinc/31/43/49/228314349.db2.gz SAKTXKHMVGFSBX-AWEZNQCLSA-N 1 0 323.506 3.400 10 0 DGAERO Cc1cc(C)cc(OCCC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000177282939 228328988 /nfs/dbraw/zinc/32/89/88/228328988.db2.gz PCVRHIYMZXLERP-OAHLLOKOSA-N 1 0 317.351 3.071 10 0 DGAERO C[C@H]1CC(NC(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H](C)C1 ZINC000178676309 228345368 /nfs/dbraw/zinc/34/53/68/228345368.db2.gz RFXKRYQRXCBKRK-WXLSXGNJSA-N 1 0 309.498 3.231 10 0 DGAERO O=C(NCCC1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178860955 228347599 /nfs/dbraw/zinc/34/75/99/228347599.db2.gz XFCBDTVZKFMRCY-FUHWJXTLSA-N 1 0 319.493 3.225 10 0 DGAERO COC1(C[NH2+]Cc2ccc(Br)c(F)c2)CCC1 ZINC000181087553 228359527 /nfs/dbraw/zinc/35/95/27/228359527.db2.gz DIWLLPRADMLURA-UHFFFAOYSA-N 1 0 302.187 3.247 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(C2CC2)C2CC2)cc1F ZINC000181370433 228361220 /nfs/dbraw/zinc/36/12/20/228361220.db2.gz VIKHIGPZNYEZOG-GFCCVEGCSA-N 1 0 304.409 3.090 10 0 DGAERO Cc1ccc([C@@H]([NH2+]CC(C)(C)C(N)=O)c2ccccc2)c(C)c1 ZINC000183636128 228374746 /nfs/dbraw/zinc/37/47/46/228374746.db2.gz QGPSXHBHAMCXMP-SFHVURJKSA-N 1 0 310.441 3.494 10 0 DGAERO Cc1cccc2c(N3CCC[C@H](Cn4cncn4)C3)cc[nH+]c12 ZINC000301665514 229808758 /nfs/dbraw/zinc/80/87/58/229808758.db2.gz LKLOGQCAXMNSMO-HNNXBMFYSA-N 1 0 307.401 3.051 10 0 DGAERO C[C@H]1CCC[N@@H+]1C1CCN(c2cc(Cl)nc(C3CC3)n2)CC1 ZINC000301986822 230020318 /nfs/dbraw/zinc/02/03/18/230020318.db2.gz ZNSCYANMQISWSA-LBPRGKRZSA-N 1 0 320.868 3.461 10 0 DGAERO c1ccc(COc2cc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ncn2)cc1 ZINC000413061270 230124011 /nfs/dbraw/zinc/12/40/11/230124011.db2.gz NADXHESQZPUFJP-IAGOWNOFSA-N 1 0 324.428 3.094 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000185379561 263633779 /nfs/dbraw/zinc/63/37/79/263633779.db2.gz PMDSXFQPJXXUJO-IRXDYDNUSA-N 1 0 304.434 3.248 10 0 DGAERO CCSc1cccc(C[NH2+]CCc2c(C)nn(C)c2C)c1 ZINC000185457753 263635524 /nfs/dbraw/zinc/63/55/24/263635524.db2.gz CTBBECFJKMETEK-UHFFFAOYSA-N 1 0 303.475 3.481 10 0 DGAERO COC(=O)c1cc(C[NH2+]CCc2cc(C)c(O)c(C)c2)oc1C ZINC000191573818 263757474 /nfs/dbraw/zinc/75/74/74/263757474.db2.gz QKFBPLCAYMPOLD-UHFFFAOYSA-N 1 0 317.385 3.029 10 0 DGAERO C[N@H+](CCCNC(=O)NCCc1ccsc1)C1CCCCC1 ZINC000192731916 263784654 /nfs/dbraw/zinc/78/46/54/263784654.db2.gz CESISYDLDJNEGG-UHFFFAOYSA-N 1 0 323.506 3.244 10 0 DGAERO CC[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000193335270 263792374 /nfs/dbraw/zinc/79/23/74/263792374.db2.gz FHEZYWGOINAGJS-WOJBJXKFSA-N 1 0 324.468 3.469 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000195619585 263832783 /nfs/dbraw/zinc/83/27/83/263832783.db2.gz JPMASEXDVUEKBZ-GDBMZVCRSA-N 1 0 321.465 3.460 10 0 DGAERO CSC[C@@H](C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000229361907 263841659 /nfs/dbraw/zinc/84/16/59/263841659.db2.gz FXOSSCUKLQKJDR-ZJUUUORDSA-N 1 0 324.273 3.074 10 0 DGAERO c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@H](OCc3ccncc3)C1)C2 ZINC000347113841 264159023 /nfs/dbraw/zinc/15/90/23/264159023.db2.gz ULKBGABJWNHFSC-NQIIRXRSSA-N 1 0 322.452 3.478 10 0 DGAERO C[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000347331282 264198302 /nfs/dbraw/zinc/19/83/02/264198302.db2.gz GKKSHTZUHSJROY-FPAYPSAMSA-N 1 0 302.462 3.054 10 0 DGAERO c1c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)[nH]nc1-c1ccccc1 ZINC000347669842 264263962 /nfs/dbraw/zinc/26/39/62/264263962.db2.gz JALNEMYWSKVRIS-LJQANCHMSA-N 1 0 311.429 3.468 10 0 DGAERO O[C@H](CC[NH2+]Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000349311686 264508676 /nfs/dbraw/zinc/50/86/76/264508676.db2.gz DBILLNLDCQEQDG-SNVBAGLBSA-N 1 0 302.123 3.396 10 0 DGAERO CC(C)[C@](C)(CO)[NH2+]Cc1cc(F)ccc1Br ZINC000352911377 265226192 /nfs/dbraw/zinc/22/61/92/265226192.db2.gz LQFZUGWRXHSKDT-ZDUSSCGKSA-N 1 0 304.203 3.085 10 0 DGAERO CC(C)[C@@](C)(CO)[NH2+]Cc1cc(Br)ccc1F ZINC000352911387 265226408 /nfs/dbraw/zinc/22/64/08/265226408.db2.gz LSGWKZFMWNELTE-CYBMUJFWSA-N 1 0 304.203 3.085 10 0 DGAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc2cccnc21 ZINC000191167307 432230278 /nfs/dbraw/zinc/23/02/78/432230278.db2.gz AARVANFACHITNH-KYJSFNMBSA-N 1 0 310.397 3.008 10 0 DGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOc1ccc(F)cc1Cl ZINC000191153612 432229279 /nfs/dbraw/zinc/22/92/79/432229279.db2.gz FAUXDYQKCSGXSH-GHMZBOCLSA-N 1 0 301.789 3.092 10 0 DGAERO CCc1cnccc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182818326 432231442 /nfs/dbraw/zinc/23/14/42/432231442.db2.gz HCNWSKYDZOYVGD-ZBFHGGJFSA-N 1 0 315.461 3.027 10 0 DGAERO CCc1cnccc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182818306 432231553 /nfs/dbraw/zinc/23/15/53/432231553.db2.gz HCNWSKYDZOYVGD-HOCLYGCPSA-N 1 0 315.461 3.027 10 0 DGAERO c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000355225385 266005498 /nfs/dbraw/zinc/00/54/98/266005498.db2.gz RJZZIFUSCUDNFJ-SJORKVTESA-N 1 0 311.429 3.325 10 0 DGAERO c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)cc2)cn1 ZINC000355244095 266014676 /nfs/dbraw/zinc/01/46/76/266014676.db2.gz XWIMOGFRDOOXDQ-MSOLQXFVSA-N 1 0 311.429 3.121 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000355768539 266177786 /nfs/dbraw/zinc/17/77/86/266177786.db2.gz PGRUMJWJUWEDAU-AWEZNQCLSA-N 1 0 303.431 3.254 10 0 DGAERO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1(CC(N)=O)CCC1 ZINC000356404521 266381987 /nfs/dbraw/zinc/38/19/87/266381987.db2.gz CHIFTRRGCJKOSG-XFXZXTDPSA-N 1 0 324.371 3.079 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccccc2)[C@H](C)C1 ZINC000247484951 432233700 /nfs/dbraw/zinc/23/37/00/432233700.db2.gz TWFFBOQTQOCKPI-NUJGCVRESA-N 1 0 302.462 3.054 10 0 DGAERO O=C1O[C@H](C[N@@H+]2CCC[C@@H]2c2ccco2)CN1c1ccccc1 ZINC000172822583 432239121 /nfs/dbraw/zinc/23/91/21/432239121.db2.gz UKEPMZOGUZHURG-HZPDHXFCSA-N 1 0 312.369 3.442 10 0 DGAERO C[C@H](c1ccccc1F)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247532166 432239640 /nfs/dbraw/zinc/23/96/40/432239640.db2.gz CCXDQYZVSMNXHC-CABCVRRESA-N 1 0 314.408 3.278 10 0 DGAERO Cc1cc(C)c([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000151341645 432239713 /nfs/dbraw/zinc/23/97/13/432239713.db2.gz JPHCUAOTOTYYSG-QZTJIDSGSA-N 1 0 304.478 3.109 10 0 DGAERO c1ccc(Oc2cccnc2)c(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247543095 432240248 /nfs/dbraw/zinc/24/02/48/432240248.db2.gz YPCQPZJANWFOEY-KRWDZBQOSA-N 1 0 309.413 3.154 10 0 DGAERO COc1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151376180 432240722 /nfs/dbraw/zinc/24/07/22/432240722.db2.gz VRLAMMMOCGMVGO-HYXJCQPJSA-N 1 0 319.470 3.353 10 0 DGAERO CCSCc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247564223 432241093 /nfs/dbraw/zinc/24/10/93/432241093.db2.gz ZVTPZBKEWBDZNF-YOEHRIQHSA-N 1 0 320.502 3.494 10 0 DGAERO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000247578412 432242814 /nfs/dbraw/zinc/24/28/14/432242814.db2.gz XYVKJNXPURNPPW-IRXDYDNUSA-N 1 0 315.413 3.473 10 0 DGAERO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151473673 432249128 /nfs/dbraw/zinc/24/91/28/432249128.db2.gz FJSPKYXOWYKOFB-QGZVFWFLSA-N 1 0 308.360 3.184 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000247728346 432248433 /nfs/dbraw/zinc/24/84/33/432248433.db2.gz TZUVAWMEVMFJGL-ILXRZTDVSA-N 1 0 322.399 3.059 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000046279184 270955286 /nfs/dbraw/zinc/95/52/86/270955286.db2.gz LKVARFMLOJOBRQ-UONOGXRCSA-N 1 0 309.429 3.258 10 0 DGAERO C[C@H]1CCOCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000367660812 271060188 /nfs/dbraw/zinc/06/01/88/271060188.db2.gz JFIWSRSYVSXZJF-LBPRGKRZSA-N 1 0 303.324 3.239 10 0 DGAERO C[C@@H]1CCOCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000367667958 271061867 /nfs/dbraw/zinc/06/18/67/271061867.db2.gz XTPJDTASFKTMOI-GFCCVEGCSA-N 1 0 303.324 3.239 10 0 DGAERO Fc1ccc(OCC[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000367870671 271091233 /nfs/dbraw/zinc/09/12/33/271091233.db2.gz NNQVRKJJYMJPCS-UHFFFAOYSA-N 1 0 323.799 3.392 10 0 DGAERO c1[nH]c2ccccc2c1CC[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000368548376 271167309 /nfs/dbraw/zinc/16/73/09/271167309.db2.gz MFAJJVMPCDFTRC-UHFFFAOYSA-N 1 0 317.396 3.285 10 0 DGAERO Cc1csc(NC(=O)CN2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000369028745 271234295 /nfs/dbraw/zinc/23/42/95/271234295.db2.gz YOUWVIYSKYNPFM-ZDUSSCGKSA-N 1 0 319.405 3.019 10 0 DGAERO CCCc1occc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000369076451 271238006 /nfs/dbraw/zinc/23/80/06/271238006.db2.gz UCYUHMDPEWYADH-UHFFFAOYSA-N 1 0 304.434 3.323 10 0 DGAERO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccoc2C2CC2)C1 ZINC000369166974 271246635 /nfs/dbraw/zinc/24/66/35/271246635.db2.gz SHXBLFGQIKUIFO-OAHLLOKOSA-N 1 0 310.397 3.290 10 0 DGAERO c1cc(-c2ccc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)o2)n[nH]1 ZINC000369489393 271282651 /nfs/dbraw/zinc/28/26/51/271282651.db2.gz FYMVHAQWJYWBFY-OAHLLOKOSA-N 1 0 314.433 3.120 10 0 DGAERO CC(=O)c1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000369537906 271288662 /nfs/dbraw/zinc/28/86/62/271288662.db2.gz WBWMGOSXDNSKFQ-UHFFFAOYSA-N 1 0 315.417 3.028 10 0 DGAERO C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247804332 432251444 /nfs/dbraw/zinc/25/14/44/432251444.db2.gz SEZNERBQXFVGCX-YOEHRIQHSA-N 1 0 314.408 3.278 10 0 DGAERO Cc1nc(C2CCCC2)sc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000173013637 432252456 /nfs/dbraw/zinc/25/24/56/432252456.db2.gz LUTMCWKEQLONRH-UHFFFAOYSA-N 1 0 321.490 3.275 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000247921310 432253625 /nfs/dbraw/zinc/25/36/25/432253625.db2.gz BFDIFFACZPQNJJ-GPMSIDNRSA-N 1 0 301.478 3.460 10 0 DGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Cl)cc3F)CC[C@H]21 ZINC000247948644 432255088 /nfs/dbraw/zinc/25/50/88/432255088.db2.gz DUSOOZLKEYYKGU-XHDPSFHLSA-N 1 0 310.800 3.035 10 0 DGAERO CSCCCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247965417 432256634 /nfs/dbraw/zinc/25/66/34/432256634.db2.gz GSQRPLCSKRMXHD-DOTOQJQBSA-N 1 0 307.507 3.025 10 0 DGAERO CC1(C)COC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000313048949 273586638 /nfs/dbraw/zinc/58/66/38/273586638.db2.gz ZBTQLCHWORCDTE-ZIAGYGMSSA-N 1 0 310.235 3.451 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C/C=C/c3ccc(F)cc3)CC[C@H]21 ZINC000247966970 432257667 /nfs/dbraw/zinc/25/76/67/432257667.db2.gz GYLYDUCEAJEJLC-JOHXTKAHSA-N 1 0 316.420 3.172 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1OC ZINC000247983227 432257889 /nfs/dbraw/zinc/25/78/89/432257889.db2.gz IPDJBRCFBPJHDQ-XFHKCVFHSA-N 1 0 319.445 3.306 10 0 DGAERO Cc1ccccc1[C@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247981217 432257948 /nfs/dbraw/zinc/25/79/48/432257948.db2.gz IIKHFJMNGFFFLF-IRXDYDNUSA-N 1 0 310.445 3.447 10 0 DGAERO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248386269 274211165 /nfs/dbraw/zinc/21/11/65/274211165.db2.gz LXAWRTHNQQKCNS-WMLDXEAASA-N 1 0 302.397 3.075 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(C(F)(F)F)cc1Cl ZINC000113248474 274374879 /nfs/dbraw/zinc/37/48/79/274374879.db2.gz RXTSQTFQAWHWPO-MWLCHTKSSA-N 1 0 319.758 3.427 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1cccc2ccccc21 ZINC000183104803 274518624 /nfs/dbraw/zinc/51/86/24/274518624.db2.gz YQOBHCUQUCQQKK-SUNYJGFJSA-N 1 0 312.413 3.324 10 0 DGAERO Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247980902 432259191 /nfs/dbraw/zinc/25/91/91/432259191.db2.gz HLXMKRDIBPZTGE-GJZGRUSLSA-N 1 0 300.427 3.232 10 0 DGAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCn2ncnc21)CC3 ZINC000180731291 274768172 /nfs/dbraw/zinc/76/81/72/274768172.db2.gz HXBJUPFLYJRQAM-FZKQIMNGSA-N 1 0 321.428 3.050 10 0 DGAERO COCc1cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)ccc1OC ZINC000247983223 432259675 /nfs/dbraw/zinc/25/96/75/432259675.db2.gz IPDJBRCFBPJHDQ-HZZDSMARSA-N 1 0 319.445 3.306 10 0 DGAERO C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCCO1 ZINC000183110325 432259843 /nfs/dbraw/zinc/25/98/43/432259843.db2.gz DKELPFDQRMHHKN-IUODEOHRSA-N 1 0 308.447 3.117 10 0 DGAERO Fc1ccc2c(N[C@H]3CCCN(c4ncccn4)C3)cc[nH+]c2c1 ZINC000172068432 274913783 /nfs/dbraw/zinc/91/37/83/274913783.db2.gz FFFMQHRRGXZHLV-AWEZNQCLSA-N 1 0 323.375 3.245 10 0 DGAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC3CC3)cc2)CCN1C ZINC000191398847 432260128 /nfs/dbraw/zinc/26/01/28/432260128.db2.gz LDZCOHBVUIFQKC-QAPCUYQASA-N 1 0 302.462 3.390 10 0 DGAERO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCOc2ccccc21 ZINC000177612876 275005387 /nfs/dbraw/zinc/00/53/87/275005387.db2.gz DJSGOMXVCXHAKY-OAHLLOKOSA-N 1 0 314.429 3.067 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000267255723 275399560 /nfs/dbraw/zinc/39/95/60/275399560.db2.gz MJWJJWYZLQGXBL-FYWRMAATSA-N 1 0 304.409 3.172 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCNc1cnccn1 ZINC000338195300 275399598 /nfs/dbraw/zinc/39/95/98/275399598.db2.gz MWAUMGXLRFTBJG-JLHYYAGUSA-N 1 0 302.809 3.235 10 0 DGAERO CC(=O)N1CCC([NH2+][C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000127854281 275448461 /nfs/dbraw/zinc/44/84/61/275448461.db2.gz BOMLDDZKXWQRDB-ZDUSSCGKSA-N 1 0 312.866 3.379 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000191093280 275912547 /nfs/dbraw/zinc/91/25/47/275912547.db2.gz BFODWCKACNHWCU-GVDBMIGSSA-N 1 0 300.450 3.027 10 0 DGAERO CCC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000154988107 276021389 /nfs/dbraw/zinc/02/13/89/276021389.db2.gz XIYBYDKMYKJHLE-CABCVRRESA-N 1 0 304.434 3.135 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(-c2ccccc2)on1 ZINC000085610213 276112205 /nfs/dbraw/zinc/11/22/05/276112205.db2.gz NUYNVXVWZXUHJY-ZDUSSCGKSA-N 1 0 316.405 3.193 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000176385617 276168808 /nfs/dbraw/zinc/16/88/08/276168808.db2.gz OURNVXKVQKVXNN-SJLPKXTDSA-N 1 0 317.477 3.224 10 0 DGAERO CCN(C)C(=O)CC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191242651 276301748 /nfs/dbraw/zinc/30/17/48/276301748.db2.gz XGHRFYSYNDFSJM-UHFFFAOYSA-N 1 0 316.367 3.309 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C12CCOCC2 ZINC000248977360 276355097 /nfs/dbraw/zinc/35/50/97/276355097.db2.gz HXKAZJDTTRILIL-OKZBNKHCSA-N 1 0 301.430 3.238 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)C1CCCCC1 ZINC000178196711 276439184 /nfs/dbraw/zinc/43/91/84/276439184.db2.gz CYPLVYVUVONCHA-IAGOWNOFSA-N 1 0 302.466 3.394 10 0 DGAERO CCc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171505649 276679888 /nfs/dbraw/zinc/67/98/88/276679888.db2.gz ZKPKBWNGYGYQLR-INIZCTEOSA-N 1 0 301.434 3.341 10 0 DGAERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000105185741 276829065 /nfs/dbraw/zinc/82/90/65/276829065.db2.gz GOCJVUOCDKMIML-GDBMZVCRSA-N 1 0 321.852 3.063 10 0 DGAERO Cc1ccc(-c2noc(NC[C@H]3CC[N@@H+](C(C)C)C3)n2)cc1 ZINC000540906876 430183608 /nfs/dbraw/zinc/18/36/08/430183608.db2.gz YCTODXVREGLSPE-CQSZACIVSA-N 1 0 300.406 3.187 10 0 DGAERO CC(=O)NC1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000155240864 277025259 /nfs/dbraw/zinc/02/52/59/277025259.db2.gz CRFIMNGAQQLAKG-VMBOVVBDSA-N 1 0 306.837 3.364 10 0 DGAERO CN1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)[C@@H]1c1cccs1 ZINC000373301656 277073801 /nfs/dbraw/zinc/07/38/01/277073801.db2.gz UYCBYXAKRNDBRR-SQWLQELKSA-N 1 0 310.532 3.474 10 0 DGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)cc1 ZINC000182059760 277083803 /nfs/dbraw/zinc/08/38/03/277083803.db2.gz IQJYXQYKZRDQFB-KBXCAEBGSA-N 1 0 305.466 3.272 10 0 DGAERO CN1CC[C@@H]([NH2+]CC2=CCCOC2)[C@H]1c1ccc(Cl)cc1 ZINC000245868203 277138165 /nfs/dbraw/zinc/13/81/65/277138165.db2.gz LQBKOOPZSRWXRQ-IAGOWNOFSA-N 1 0 306.837 3.022 10 0 DGAERO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000114515806 277583870 /nfs/dbraw/zinc/58/38/70/277583870.db2.gz HKMCKWQXXJLGJS-IBGZPJMESA-N 1 0 319.493 3.391 10 0 DGAERO C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[C@@H]([C@H]2COCCN2)C1 ZINC000261846719 277760002 /nfs/dbraw/zinc/76/00/02/277760002.db2.gz AVRUGJOQWRZTOT-SWAOIJHYSA-N 1 0 306.494 3.092 10 0 DGAERO CC1(C)CCC(NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000074526292 278198227 /nfs/dbraw/zinc/19/82/27/278198227.db2.gz PULCYXXTIFGOFQ-UHFFFAOYSA-N 1 0 307.482 3.225 10 0 DGAERO CC(=O)Nc1ccccc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000092785842 278212756 /nfs/dbraw/zinc/21/27/56/278212756.db2.gz BRBMXWSEQGUNDH-GOSISDBHSA-N 1 0 315.461 3.095 10 0 DGAERO CC(C)(C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(F)F ZINC000472032658 278262355 /nfs/dbraw/zinc/26/23/55/278262355.db2.gz SZDOUXOXBHEBKA-AWEZNQCLSA-N 1 0 316.436 3.392 10 0 DGAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000125499435 278265817 /nfs/dbraw/zinc/26/58/17/278265817.db2.gz NUHYIOSQEODOAR-WFASDCNBSA-N 1 0 317.351 3.145 10 0 DGAERO C[C@@H](CNC(=O)N1CCC[C@@]2(CC=CCC2)C1)[N@H+](C)C1CC1 ZINC000114595810 278271715 /nfs/dbraw/zinc/27/17/15/278271715.db2.gz BRSQVLBMYKIYDV-YJBOKZPZSA-N 1 0 305.466 3.001 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088790 278309472 /nfs/dbraw/zinc/30/94/72/278309472.db2.gz YMQGKWCHLAQCPE-KGLIPLIRSA-N 1 0 307.438 3.407 10 0 DGAERO C[C@@H](NC(=O)N(C)C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272518559 278322451 /nfs/dbraw/zinc/32/24/51/278322451.db2.gz NNHJFIDJTSDUTI-WBVHZDCISA-N 1 0 315.461 3.091 10 0 DGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ncccn1)c1ccc2ccccc2c1 ZINC000112516007 278362018 /nfs/dbraw/zinc/36/20/18/278362018.db2.gz SPYAMIFZUHCDDD-KGLIPLIRSA-N 1 0 320.396 3.308 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccccn1 ZINC000159346116 278373104 /nfs/dbraw/zinc/37/31/04/278373104.db2.gz IXOYOQNEYPHIOP-CHWSQXEVSA-N 1 0 303.356 3.289 10 0 DGAERO Cc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc(C)c1F ZINC000120574954 278632018 /nfs/dbraw/zinc/63/20/18/278632018.db2.gz VCCOSRKVVYPPHO-UHFFFAOYSA-N 1 0 304.409 3.143 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cs1 ZINC000453221253 278742458 /nfs/dbraw/zinc/74/24/58/278742458.db2.gz RTGFKBXBYCGBDT-DZKIICNBSA-N 1 0 309.475 3.275 10 0 DGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cnc(C(C)(C)C)s1 ZINC000068224502 431115708 /nfs/dbraw/zinc/11/57/08/431115708.db2.gz HWMOGLONIDVEMJ-LBPRGKRZSA-N 1 0 311.495 3.147 10 0 DGAERO Cc1[nH]c2ccccc2c1CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000068223524 431116570 /nfs/dbraw/zinc/11/65/70/431116570.db2.gz QSLLVYMYBWDJKD-OAHLLOKOSA-N 1 0 315.461 3.111 10 0 DGAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cccc(C(F)(F)F)c1)C2 ZINC000000132888 431130508 /nfs/dbraw/zinc/13/05/08/431130508.db2.gz GLXPMUFQXRHRCJ-AGUYFDCRSA-N 1 0 312.335 3.060 10 0 DGAERO CCN(C)C(=O)C[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000186817645 279020296 /nfs/dbraw/zinc/02/02/96/279020296.db2.gz XGFJEPDOWHUGLY-INIZCTEOSA-N 1 0 316.445 3.281 10 0 DGAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000135308599 279052885 /nfs/dbraw/zinc/05/28/85/279052885.db2.gz YMLBXDXQRVLYOQ-ZWKOPEQDSA-N 1 0 312.207 3.040 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000048541550 279144634 /nfs/dbraw/zinc/14/46/34/279144634.db2.gz DMIRBAYWJSALMF-LBPRGKRZSA-N 1 0 321.421 3.046 10 0 DGAERO CC(C)[NH2+]C1CCN(Cc2csc(Br)c2)CC1 ZINC000108371785 431136829 /nfs/dbraw/zinc/13/68/29/431136829.db2.gz SCROOUBLAXPBFQ-UHFFFAOYSA-N 1 0 317.296 3.473 10 0 DGAERO C[C@H](CC[NH3+])Nc1ncc(Br)cc1C(F)(F)F ZINC000235443492 279262561 /nfs/dbraw/zinc/26/25/61/279262561.db2.gz RHAWKRKQKPRXMY-ZCFIWIBFSA-N 1 0 312.133 3.012 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000245430457 279300854 /nfs/dbraw/zinc/30/08/54/279300854.db2.gz LVSDVCKTGKURSM-IKGGRYGDSA-N 1 0 320.864 3.386 10 0 DGAERO C[C@H](CNC(=O)N[C@H]1CCc2cc(Cl)ccc21)[N@H+](C)C1CC1 ZINC000105185764 279338973 /nfs/dbraw/zinc/33/89/73/279338973.db2.gz JIAVXJSZYHOZFU-BZNIZROVSA-N 1 0 321.852 3.109 10 0 DGAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cccc3c2OC(C)(C)C3)cn1 ZINC000131866680 279347263 /nfs/dbraw/zinc/34/72/63/279347263.db2.gz ANOYIQKHWCCWJD-KRWDZBQOSA-N 1 0 311.429 3.471 10 0 DGAERO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000069142328 431165917 /nfs/dbraw/zinc/16/59/17/431165917.db2.gz YYMBRFPZBDZAOC-AWEZNQCLSA-N 1 0 321.467 3.082 10 0 DGAERO c1csc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)n1 ZINC000111211285 431199435 /nfs/dbraw/zinc/19/94/35/431199435.db2.gz MQALBIHZCKSUIC-HNNXBMFYSA-N 1 0 300.427 3.458 10 0 DGAERO COc1c(C)cnc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1C ZINC000069607824 431202192 /nfs/dbraw/zinc/20/21/92/431202192.db2.gz ANDJWLYPHNNULA-QGZVFWFLSA-N 1 0 317.477 3.157 10 0 DGAERO CSc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000112246533 431258172 /nfs/dbraw/zinc/25/81/72/431258172.db2.gz IMZYBSFWTQFTSY-ZDUSSCGKSA-N 1 0 308.447 3.092 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1F ZINC000192811952 279506469 /nfs/dbraw/zinc/50/64/69/279506469.db2.gz RSSBTXITCORJHG-GXTWGEPZSA-N 1 0 318.371 3.074 10 0 DGAERO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CCCC1 ZINC000070306772 431249146 /nfs/dbraw/zinc/24/91/46/431249146.db2.gz GVEBGDIBYUWWHN-SNVBAGLBSA-N 1 0 305.809 3.245 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc(Cl)c1 ZINC000112549872 431281972 /nfs/dbraw/zinc/28/19/72/431281972.db2.gz ZPSAKKARSLHHND-CJNGLKHVSA-N 1 0 316.836 3.450 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCOC2)cc1Br ZINC000112794255 431307123 /nfs/dbraw/zinc/30/71/23/431307123.db2.gz UYZVLXQIQRIXEG-ZYHUDNBSSA-N 1 0 314.223 3.287 10 0 DGAERO O=C(c1ccc(F)cc1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000071886337 431307940 /nfs/dbraw/zinc/30/79/40/431307940.db2.gz NXOZGBGPFJNLPS-CQSZACIVSA-N 1 0 308.372 3.055 10 0 DGAERO [NH3+]C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)C1CCCCC1 ZINC000262087028 279646908 /nfs/dbraw/zinc/64/69/08/279646908.db2.gz HSAHBJKODCSMCA-IHRRRGAJSA-N 1 0 320.399 3.379 10 0 DGAERO CN(c1ccnc(C2CC2)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113247863 431336012 /nfs/dbraw/zinc/33/60/12/431336012.db2.gz DHZOLZPLVXIDCT-UHFFFAOYSA-N 1 0 322.456 3.455 10 0 DGAERO Cc1ccc(CCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000113232965 431336479 /nfs/dbraw/zinc/33/64/79/431336479.db2.gz MNNZBEUEKJTYSW-FUHWJXTLSA-N 1 0 300.446 3.013 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2cccs2)o1 ZINC000113269071 431337536 /nfs/dbraw/zinc/33/75/36/431337536.db2.gz MTJAIXDLKQKSLH-QWHCGFSZSA-N 1 0 303.431 3.072 10 0 DGAERO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc3ccccc3n2)cc1 ZINC000007255705 431339051 /nfs/dbraw/zinc/33/90/51/431339051.db2.gz NRJNTIJIUDJOKG-UHFFFAOYSA-N 1 0 319.408 3.226 10 0 DGAERO COc1ccccc1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000072663499 431343333 /nfs/dbraw/zinc/34/33/33/431343333.db2.gz UGBZKEGRXUTIGT-FMKPAKJESA-N 1 0 302.418 3.287 10 0 DGAERO CC(C)[C@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113578093 431355704 /nfs/dbraw/zinc/35/57/04/431355704.db2.gz ZMNGABVNDWEECJ-INIZCTEOSA-N 1 0 317.477 3.337 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000007816462 431365459 /nfs/dbraw/zinc/36/54/59/431365459.db2.gz VXIQYNSUCDXIIC-IBGZPJMESA-N 1 0 319.408 3.268 10 0 DGAERO CC[NH+]1CCN(c2ccc(C(=O)N(C)c3ccccc3)cc2)CC1 ZINC000114157874 431376806 /nfs/dbraw/zinc/37/68/06/431376806.db2.gz DVXJMBICRGAXHV-UHFFFAOYSA-N 1 0 323.440 3.105 10 0 DGAERO Cc1cc([C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)o1 ZINC000073901073 431385861 /nfs/dbraw/zinc/38/58/61/431385861.db2.gz KRNFUGVEOUSZDH-OHRKKDJYSA-N 1 0 319.449 3.272 10 0 DGAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@H](C)CC[C@@H]2C)c1 ZINC000073917916 431388897 /nfs/dbraw/zinc/38/88/97/431388897.db2.gz JPDNURZDZOTTMV-CVEARBPZSA-N 1 0 317.477 3.468 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000073953047 431390944 /nfs/dbraw/zinc/39/09/44/431390944.db2.gz PHIKNNBCGZLNMV-DLBZAZTESA-N 1 0 307.482 3.083 10 0 DGAERO Cc1cnn(CCCCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114484067 431391459 /nfs/dbraw/zinc/39/14/59/431391459.db2.gz XVAIIKNJDOPWLW-KRWDZBQOSA-N 1 0 301.438 3.312 10 0 DGAERO O=C(C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)NCc1cccs1 ZINC000114494363 431393577 /nfs/dbraw/zinc/39/35/77/431393577.db2.gz RSRXOAHTHDGDGL-KRWDZBQOSA-N 1 0 304.459 3.187 10 0 DGAERO O=C(C[N@@H+]1CCC[C@]2(CC=CCC2)C1)NCc1cccs1 ZINC000114494365 431395833 /nfs/dbraw/zinc/39/58/33/431395833.db2.gz RSRXOAHTHDGDGL-QGZVFWFLSA-N 1 0 304.459 3.187 10 0 DGAERO Cn1c(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)nc2ccccc2c1=O ZINC000114493953 431396285 /nfs/dbraw/zinc/39/62/85/431396285.db2.gz ZCWGNUAKLMWTHZ-FQEVSTJZSA-N 1 0 323.440 3.256 10 0 DGAERO CC(C)(C)NC(=O)N1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000074902244 431442241 /nfs/dbraw/zinc/44/22/41/431442241.db2.gz ZLPJJIKQLHBRLT-YRNVUSSQSA-N 1 0 315.461 3.216 10 0 DGAERO CC(C)(C)OC(=O)CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557463 431458728 /nfs/dbraw/zinc/45/87/28/431458728.db2.gz TVUGZZLWPWYBMZ-UHFFFAOYSA-N 1 0 323.408 3.401 10 0 DGAERO C[NH+](C)Cc1cc(CNC(=O)NC[C@@H]2CC=CCC2)ccc1F ZINC000115695579 431470797 /nfs/dbraw/zinc/47/07/97/431470797.db2.gz LVHASFRYEKLDGW-CQSZACIVSA-N 1 0 319.424 3.043 10 0 DGAERO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000115740592 431471981 /nfs/dbraw/zinc/47/19/81/431471981.db2.gz JLOGCBFVFIWSDR-QGZVFWFLSA-N 1 0 309.425 3.214 10 0 DGAERO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)n(C(C)(C)C)n1 ZINC000076148769 431530025 /nfs/dbraw/zinc/53/00/25/431530025.db2.gz LLGPULHFZHIKJX-JSGCOSHPSA-N 1 0 306.454 3.005 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c(C)c1 ZINC000011754606 431481763 /nfs/dbraw/zinc/48/17/63/431481763.db2.gz XHOZUBAIEDFZAH-INIZCTEOSA-N 1 0 307.397 3.293 10 0 DGAERO COc1ccccc1-c1nnc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)o1 ZINC000076150311 431531956 /nfs/dbraw/zinc/53/19/56/431531956.db2.gz FWULPWOPWGUOPT-QWHCGFSZSA-N 1 0 301.390 3.366 10 0 DGAERO Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116318908 431503019 /nfs/dbraw/zinc/50/30/19/431503019.db2.gz DMVJNNCSZGMLCY-QGZVFWFLSA-N 1 0 313.445 3.295 10 0 DGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(OC(F)F)c3)C2)cn1 ZINC000116313687 431505680 /nfs/dbraw/zinc/50/56/80/431505680.db2.gz ITLDEFPZDAHWRG-CYBMUJFWSA-N 1 0 307.344 3.011 10 0 DGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116431815 431512875 /nfs/dbraw/zinc/51/28/75/431512875.db2.gz NREBNEKLXBIUEE-HUUCEWRRSA-N 1 0 305.422 3.001 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2ccc(C)s2)CC1 ZINC000076573287 431558861 /nfs/dbraw/zinc/55/88/61/431558861.db2.gz IKKCKBSXFFOSPN-UHFFFAOYSA-N 1 0 323.506 3.320 10 0 DGAERO CCOCCN1CC[N@H+](C[C@@H](C)c2ccccc2)C[C@@H]1CC ZINC000116878825 431533866 /nfs/dbraw/zinc/53/38/66/431533866.db2.gz PHCJFLUINSMJJG-MJGOQNOKSA-N 1 0 304.478 3.223 10 0 DGAERO CCCn1cc(C[NH2+]Cc2ccc(Br)s2)cn1 ZINC000116912846 431538105 /nfs/dbraw/zinc/53/81/05/431538105.db2.gz BLDUVCOKNRJDBK-UHFFFAOYSA-N 1 0 314.252 3.407 10 0 DGAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3nc(C4CC4)no3)C2)cc1 ZINC000076390210 431545964 /nfs/dbraw/zinc/54/59/64/431545964.db2.gz VASALCOXQYEVBW-IUODEOHRSA-N 1 0 313.401 3.334 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2F)[C@H](C)C1 ZINC000076482114 431552567 /nfs/dbraw/zinc/55/25/67/431552567.db2.gz REUYGUNKJLFMRK-KEYYUXOJSA-N 1 0 306.425 3.118 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CSc3ccccc32)[C@H](C)C1 ZINC000076478058 431552638 /nfs/dbraw/zinc/55/26/38/431552638.db2.gz UFMJAOJAQIJHQI-BMFZPTHFSA-N 1 0 318.486 3.065 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000076489017 431552668 /nfs/dbraw/zinc/55/26/68/431552668.db2.gz OSTNDNPLROQWAJ-IUODEOHRSA-N 1 0 324.852 3.151 10 0 DGAERO CCCOc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000076489957 431552759 /nfs/dbraw/zinc/55/27/59/431552759.db2.gz MFWUKUVRXYKOPC-MAUKXSAKSA-N 1 0 318.461 3.278 10 0 DGAERO CCCc1nc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000076491672 431554278 /nfs/dbraw/zinc/55/42/78/431554278.db2.gz AEHHDHRINHVQHO-GXTWGEPZSA-N 1 0 323.506 3.206 10 0 DGAERO C[C@H]1c2cccc(Br)c2CCN1C[C@@H]1CCC[NH2+]C1 ZINC000261825141 280124466 /nfs/dbraw/zinc/12/44/66/280124466.db2.gz IPHHCXBFATXVCP-QWHCGFSZSA-N 1 0 323.278 3.368 10 0 DGAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000076988584 431568712 /nfs/dbraw/zinc/56/87/12/431568712.db2.gz BCXHMWPQSLHYDR-OALUTQOASA-N 1 0 312.457 3.185 10 0 DGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000077204660 431571908 /nfs/dbraw/zinc/57/19/08/431571908.db2.gz MXEUOUGUVNITMT-BXKDBHETSA-N 1 0 304.253 3.151 10 0 DGAERO CC(C)[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000181985144 280334334 /nfs/dbraw/zinc/33/43/34/280334334.db2.gz SWILONKJIRNEDR-PXAZEXFGSA-N 1 0 310.388 3.262 10 0 DGAERO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)c3ccncc3)C2=O)c(C)c1 ZINC000191081606 280388515 /nfs/dbraw/zinc/38/85/15/280388515.db2.gz NWLBFOJDHRCHHS-AEFFLSMTSA-N 1 0 323.440 3.463 10 0 DGAERO Cc1nc2ccccn2c1C[NH+]1CCC([C@@H](O)CC(C)C)CC1 ZINC000077470651 431596096 /nfs/dbraw/zinc/59/60/96/431596096.db2.gz ULENMKNMOJOTIO-SFHVURJKSA-N 1 0 315.461 3.262 10 0 DGAERO CCN(CC)c1ncc(C[NH2+]C[C@@](C)(O)CCC(C)C)s1 ZINC000077455670 431596656 /nfs/dbraw/zinc/59/66/56/431596656.db2.gz MWYMEUXEVNECLI-INIZCTEOSA-N 1 0 313.511 3.266 10 0 DGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000077455863 431596793 /nfs/dbraw/zinc/59/67/93/431596793.db2.gz NAXXAYCTIWHYMR-SFHVURJKSA-N 1 0 301.434 3.149 10 0 DGAERO [NH3+][C@H]1CN(c2ccccc2)C(=O)C[C@@H]1c1ccccc1Cl ZINC000014958767 431597000 /nfs/dbraw/zinc/59/70/00/431597000.db2.gz NYWTUQDFNDEXFQ-ZBFHGGJFSA-N 1 0 300.789 3.188 10 0 DGAERO CCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(C)o3)CC[C@@H]21 ZINC000014989045 431601944 /nfs/dbraw/zinc/60/19/44/431601944.db2.gz YPUMLOIFWGXBFJ-WBVHZDCISA-N 1 0 304.434 3.201 10 0 DGAERO CC1(C)CCCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000077510052 431602558 /nfs/dbraw/zinc/60/25/58/431602558.db2.gz YLQJDVFKGJEBHU-QGZVFWFLSA-N 1 0 315.461 3.408 10 0 DGAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117857470 431578609 /nfs/dbraw/zinc/57/86/09/431578609.db2.gz ZBTCIBLEONUYFY-HNNXBMFYSA-N 1 0 304.459 3.238 10 0 DGAERO C[C@H](CNC(=O)N1CCCC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000077516259 431604740 /nfs/dbraw/zinc/60/47/40/431604740.db2.gz UAVQPYXLIGORNR-OAHLLOKOSA-N 1 0 315.461 3.017 10 0 DGAERO Cc1ccc(CCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000025385489 431654509 /nfs/dbraw/zinc/65/45/09/431654509.db2.gz LUWHJULEHNAYNZ-INIZCTEOSA-N 1 0 316.470 3.408 10 0 DGAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000119194864 431659171 /nfs/dbraw/zinc/65/91/71/431659171.db2.gz UXFDHGVCLDNVFZ-HZPDHXFCSA-N 1 0 320.477 3.077 10 0 DGAERO CSCCCC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000118985297 431632391 /nfs/dbraw/zinc/63/23/91/431632391.db2.gz XOKJBUSDRAHSQD-HNNXBMFYSA-N 1 0 304.459 3.141 10 0 DGAERO Cc1cc(C[NH2+]C2CCN(C(N)=O)CC2)ccc1-c1ccccc1 ZINC000189514814 280490634 /nfs/dbraw/zinc/49/06/34/280490634.db2.gz DDNSHEBBPHQOHB-UHFFFAOYSA-N 1 0 323.440 3.295 10 0 DGAERO CCC[N@@H+](Cc1ccc(C(=O)OC)s1)C[C@@H]1CCCCO1 ZINC000119034484 431637106 /nfs/dbraw/zinc/63/71/06/431637106.db2.gz KMQBBZHZTLFOSQ-ZDUSSCGKSA-N 1 0 311.447 3.316 10 0 DGAERO CSc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000119071169 431643595 /nfs/dbraw/zinc/64/35/95/431643595.db2.gz PCWSKSCMXWAPLW-WFASDCNBSA-N 1 0 307.463 3.259 10 0 DGAERO Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cnc1Cl ZINC000119325226 431675439 /nfs/dbraw/zinc/67/54/39/431675439.db2.gz TVSOWEJOPWASPV-UHFFFAOYSA-N 1 0 322.840 3.136 10 0 DGAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1NC(C)=O ZINC000119328520 431675968 /nfs/dbraw/zinc/67/59/68/431675968.db2.gz XZIZDPDGEYFSNR-IUODEOHRSA-N 1 0 320.433 3.262 10 0 DGAERO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000119332241 431678378 /nfs/dbraw/zinc/67/83/78/431678378.db2.gz HAHPTDUYTRXQQT-RYRKJORJSA-N 1 0 323.502 3.449 10 0 DGAERO CC[C@H](c1ccncc1)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000119379269 431683701 /nfs/dbraw/zinc/68/37/01/431683701.db2.gz SBTQCAMJLWRDHS-RBUKOAKNSA-N 1 0 314.429 3.042 10 0 DGAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000078595420 431685623 /nfs/dbraw/zinc/68/56/23/431685623.db2.gz YSXQVTDSBDKWEZ-VKJFTORMSA-N 1 0 318.461 3.144 10 0 DGAERO Fc1ccccc1CC[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000078617363 431687124 /nfs/dbraw/zinc/68/71/24/431687124.db2.gz DSLJKYORLLYKTD-CALCHBBNSA-N 1 0 307.409 3.028 10 0 DGAERO CCC[NH+](CCC)CC[C@@](CC(C)C)(C(N)=O)c1ccccn1 ZINC000027522793 431688086 /nfs/dbraw/zinc/68/80/86/431688086.db2.gz SPPIGOIJCGZTBM-IBGZPJMESA-N 1 0 319.493 3.363 10 0 DGAERO O[C@H](c1ccnc2c1cccc2C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000027523793 431689317 /nfs/dbraw/zinc/68/93/17/431689317.db2.gz PDQABRJFINBKPI-DZGCQCFKSA-N 1 0 310.319 3.429 10 0 DGAERO c1ncn([C@@H]2CCCN(Cc3cnc(C4CCCC4)s3)C2)n1 ZINC000119490837 431697830 /nfs/dbraw/zinc/69/78/30/431697830.db2.gz IMUZPVBTBZBLOG-CQSZACIVSA-N 1 0 317.462 3.229 10 0 DGAERO CC[N@@H+](Cc1ccccc1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000028711013 431708385 /nfs/dbraw/zinc/70/83/85/431708385.db2.gz QZKITPPOOBAOOW-FQEVSTJZSA-N 1 0 312.457 3.001 10 0 DGAERO Cc1ccc(CCCC(=O)N2CCC[N@@H+](C3CC3)CC2)s1 ZINC000079537844 431729997 /nfs/dbraw/zinc/72/99/97/431729997.db2.gz MDWNJXWBRLQYNN-UHFFFAOYSA-N 1 0 306.475 3.076 10 0 DGAERO CC(C)Oc1cccnc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000079546903 431733063 /nfs/dbraw/zinc/73/30/63/431733063.db2.gz XIGDUJZDTZNCJS-UHFFFAOYSA-N 1 0 321.465 3.108 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261750496 280619265 /nfs/dbraw/zinc/61/92/65/280619265.db2.gz DTCXTXLGVYAOBO-OKZBNKHCSA-N 1 0 314.473 3.499 10 0 DGAERO Cc1cc(F)cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000079677846 431740588 /nfs/dbraw/zinc/74/05/88/431740588.db2.gz MONFIAAMMLWFTO-GOSISDBHSA-N 1 0 314.404 3.037 10 0 DGAERO C[C@@H](CNC(=O)N[C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000079810932 431747792 /nfs/dbraw/zinc/74/77/92/431747792.db2.gz YPMCVNOSTACVLQ-YJBOKZPZSA-N 1 0 315.461 3.095 10 0 DGAERO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000121189716 431750709 /nfs/dbraw/zinc/75/07/09/431750709.db2.gz QSUUHTRQNSOWJU-SHARSMKWSA-N 1 0 323.506 3.091 10 0 DGAERO CCO[C@H]1C[C@H](N(C)Cc2nc(CC(C)C)no2)C12CCCC2 ZINC000121195888 431752947 /nfs/dbraw/zinc/75/29/47/431752947.db2.gz LJKRWZMYTJFKKJ-GJZGRUSLSA-N 1 0 321.465 3.438 10 0 DGAERO CCOc1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000078969145 431714221 /nfs/dbraw/zinc/71/42/21/431714221.db2.gz HEZANFBTPVIVKQ-UHFFFAOYSA-N 1 0 311.429 3.239 10 0 DGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306303 431718434 /nfs/dbraw/zinc/71/84/34/431718434.db2.gz QGDAKZVZGYLFRE-KBPBESRZSA-N 1 0 322.449 3.049 10 0 DGAERO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCc2ccsc2)C1 ZINC000079393988 431721883 /nfs/dbraw/zinc/72/18/83/431721883.db2.gz CAEIWXNOFOJNNQ-HNNXBMFYSA-N 1 0 323.506 3.102 10 0 DGAERO C[C@H](Cc1ccsc1)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000081598304 431795231 /nfs/dbraw/zinc/79/52/31/431795231.db2.gz PWULFJHUVYPNJK-GFCCVEGCSA-N 1 0 314.414 3.256 10 0 DGAERO COCC[C@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000081705855 431799447 /nfs/dbraw/zinc/79/94/47/431799447.db2.gz OULBOJYLXDMFPT-GWCFXTLKSA-N 1 0 314.223 3.287 10 0 DGAERO CCSc1ccc(OC)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000033506010 431814838 /nfs/dbraw/zinc/81/48/38/431814838.db2.gz CAIGFLNGTILGDB-ZDUSSCGKSA-N 1 0 322.474 3.021 10 0 DGAERO C[N@H+]1Cc2c3c(ccc2[C@@H](c2cc(F)cc(F)c2)C1)OCC3 ZINC000033977391 431816671 /nfs/dbraw/zinc/81/66/71/431816671.db2.gz ASVFGVKPPVVAPT-MRXNPFEDSA-N 1 0 301.336 3.477 10 0 DGAERO COc1ccc(CN(C)[C@@H](C)c2nc(C(C)(C)C)no2)cc1O ZINC000080985483 431778496 /nfs/dbraw/zinc/77/84/96/431778496.db2.gz UFRJDEYKFRGAIJ-NSHDSACASA-N 1 0 319.405 3.274 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095382 431782475 /nfs/dbraw/zinc/78/24/75/431782475.db2.gz DGNHZVJTDIORNS-UKRRQHHQSA-N 1 0 303.475 3.458 10 0 DGAERO COc1ccc([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1F ZINC000081230836 431786735 /nfs/dbraw/zinc/78/67/35/431786735.db2.gz NXHLAUKGUBFBSH-ZDUSSCGKSA-N 1 0 322.424 3.132 10 0 DGAERO CCn1cc(C2CC[NH+](CCCCn3ccnc3C)CC2)cn1 ZINC000122626898 431839912 /nfs/dbraw/zinc/83/99/12/431839912.db2.gz SFERSPXQIZZJLD-UHFFFAOYSA-N 1 0 315.465 3.068 10 0 DGAERO CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccs1 ZINC000037090051 431844313 /nfs/dbraw/zinc/84/43/13/431844313.db2.gz BJVAHAVWLRYVBE-KBPBESRZSA-N 1 0 302.447 3.248 10 0 DGAERO COC(=O)c1occc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037318787 431846008 /nfs/dbraw/zinc/84/60/08/431846008.db2.gz AISDACNLIXVKPB-MNOVXSKESA-N 1 0 305.296 3.277 10 0 DGAERO COC(=O)CCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000037416984 431846524 /nfs/dbraw/zinc/84/65/24/431846524.db2.gz RPGIJQGPPLOKPE-SNVBAGLBSA-N 1 0 300.196 3.053 10 0 DGAERO O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000122864714 431847175 /nfs/dbraw/zinc/84/71/75/431847175.db2.gz HGOZYVRHCXCBNK-ROUUACIJSA-N 1 0 300.377 3.281 10 0 DGAERO CC[C@@](C)(O)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000087011488 431848358 /nfs/dbraw/zinc/84/83/58/431848358.db2.gz GSLJHELYKZXPDE-PESDSKBTSA-N 1 0 312.251 3.446 10 0 DGAERO CN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037798647 431850453 /nfs/dbraw/zinc/85/04/53/431850453.db2.gz MYYRCOKBRXBECD-RCBQFDQVSA-N 1 0 306.837 3.219 10 0 DGAERO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000037847919 431850600 /nfs/dbraw/zinc/85/06/00/431850600.db2.gz KIYFKCAABLJBJT-COXVUDFISA-N 1 0 311.853 3.386 10 0 DGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)o1 ZINC000037980947 431852249 /nfs/dbraw/zinc/85/22/49/431852249.db2.gz ORRLEEOEBZFAMG-TZMCWYRMSA-N 1 0 309.793 3.332 10 0 DGAERO COc1ccc(Br)cc1C[NH2+]CC[C@H]1CCCO1 ZINC000037988673 431852575 /nfs/dbraw/zinc/85/25/75/431852575.db2.gz DOQNXSTVVWYROV-CYBMUJFWSA-N 1 0 314.223 3.116 10 0 DGAERO c1ccc2sc(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000038090500 431855167 /nfs/dbraw/zinc/85/51/67/431855167.db2.gz RXKXEWIJZBKTGO-KBPBESRZSA-N 1 0 301.459 3.260 10 0 DGAERO Cc1nccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2C)cc1 ZINC000123269708 431859999 /nfs/dbraw/zinc/85/99/99/431859999.db2.gz GPLYLEVTYKGCNX-UONOGXRCSA-N 1 0 312.417 3.436 10 0 DGAERO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2)CCN1C ZINC000123275900 431860344 /nfs/dbraw/zinc/86/03/44/431860344.db2.gz RBUZJBNIIXIQMM-IUODEOHRSA-N 1 0 311.267 3.364 10 0 DGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000089151293 431860870 /nfs/dbraw/zinc/86/08/70/431860870.db2.gz NVKQRHVSJSDRFS-CABZTGNLSA-N 1 0 305.752 3.192 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)sc1Cl)N1CCOCC1 ZINC000123353228 431862364 /nfs/dbraw/zinc/86/23/64/431862364.db2.gz BOZHSHMHMXLGKY-ZJUUUORDSA-N 1 0 323.289 3.426 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123397679 431863988 /nfs/dbraw/zinc/86/39/88/431863988.db2.gz XGZWYNFYOFTYKB-SJORKVTESA-N 1 0 320.477 3.093 10 0 DGAERO CC[C@](C)(O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000123490087 431866364 /nfs/dbraw/zinc/86/63/64/431866364.db2.gz ISWPYBCZHJKMEQ-SFHVURJKSA-N 1 0 301.434 3.102 10 0 DGAERO Cc1noc(CC[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)n1 ZINC000089518082 431868506 /nfs/dbraw/zinc/86/85/06/431868506.db2.gz MRHSTLGBYBKEDP-WDEREUQCSA-N 1 0 316.430 3.312 10 0 DGAERO Cc1noc(CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)n1 ZINC000089518634 431868676 /nfs/dbraw/zinc/86/86/76/431868676.db2.gz CLWYLEKVTAZYHL-GFCCVEGCSA-N 1 0 309.822 3.401 10 0 DGAERO COc1cc([C@@H](C)[NH2+]CCc2nc(C)no2)ccc1SC ZINC000089518697 431868944 /nfs/dbraw/zinc/86/89/44/431868944.db2.gz WVUKFKABBPLIMW-SNVBAGLBSA-N 1 0 307.419 3.002 10 0 DGAERO Cc1noc(CC[NH2+][C@@H](C)c2ccccc2Br)n1 ZINC000089518316 431869012 /nfs/dbraw/zinc/86/90/12/431869012.db2.gz XKTFSOZGQIEWLS-VIFPVBQESA-N 1 0 310.195 3.034 10 0 DGAERO O=S1(=O)CC[C@@H]([NH2+]CC2CCCCC2)c2cc(F)ccc21 ZINC000035295752 431827851 /nfs/dbraw/zinc/82/78/51/431827851.db2.gz XIXIJUVNIOPXFV-OAHLLOKOSA-N 1 0 311.422 3.214 10 0 DGAERO CCOC(=O)CC[NH2+][C@@H](C)c1ccccc1Br ZINC000044288390 431872770 /nfs/dbraw/zinc/87/27/70/431872770.db2.gz VKWBUGPRCWTJQZ-JTQLQIEISA-N 1 0 300.196 3.053 10 0 DGAERO CC(C)C[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000036099629 431834928 /nfs/dbraw/zinc/83/49/28/431834928.db2.gz XXJCDJUPEXZHLQ-MRXNPFEDSA-N 1 0 315.404 3.209 10 0 DGAERO Cc1ccc(C[N@H+](C[C@@H](O)COCc2ccco2)C2CC2)s1 ZINC000036101280 431835831 /nfs/dbraw/zinc/83/58/31/431835831.db2.gz UCCIJVZPCXWLQK-OAHLLOKOSA-N 1 0 321.442 3.192 10 0 DGAERO CCC[C@H](O)C[N@H+](Cc1ccco1)Cc1cccc(OC)c1 ZINC000036098209 431836023 /nfs/dbraw/zinc/83/60/23/431836023.db2.gz DJAZAKPJXVDNDA-INIZCTEOSA-N 1 0 303.402 3.451 10 0 DGAERO CC[C@@H](C)[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036104147 431837351 /nfs/dbraw/zinc/83/73/51/431837351.db2.gz QNWHSHRWOQWYRB-CJNGLKHVSA-N 1 0 315.404 3.351 10 0 DGAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(NC3CCCCC3)c(N)c2)C1 ZINC000095931827 431926100 /nfs/dbraw/zinc/92/61/00/431926100.db2.gz YUKOCXNSGBJCOU-QGZVFWFLSA-N 1 0 316.493 3.149 10 0 DGAERO CC[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1nccs1 ZINC000124998078 431910918 /nfs/dbraw/zinc/91/09/18/431910918.db2.gz IMQHDTKWXLWREG-RUXDESIVSA-N 1 0 324.494 3.014 10 0 DGAERO CCC[N@@H+](Cc1cnc2nc(C)cc(C)n12)C[C@H]1CCCCO1 ZINC000093132420 431913083 /nfs/dbraw/zinc/91/30/83/431913083.db2.gz BLDOSAQAHLJPDT-QGZVFWFLSA-N 1 0 316.449 3.127 10 0 DGAERO CCS[C@@H]1CCCC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093361789 431914021 /nfs/dbraw/zinc/91/40/21/431914021.db2.gz NPRKYNXZEHIKLR-MRXNPFEDSA-N 1 0 318.490 3.454 10 0 DGAERO CC(C)[C@@H](C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000047684834 431914591 /nfs/dbraw/zinc/91/45/91/431914591.db2.gz OIPJTZRKQYRXCX-NVXWUHKLSA-N 1 0 303.450 3.167 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093506465 431915641 /nfs/dbraw/zinc/91/56/41/431915641.db2.gz PRZZUFJYEJIVCL-OCCSQVGLSA-N 1 0 311.857 3.198 10 0 DGAERO C[C@@H](c1cccc(Br)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094449055 431919970 /nfs/dbraw/zinc/91/99/70/431919970.db2.gz XOZOJXKUSCGGGW-SWLSCSKDSA-N 1 0 309.251 3.290 10 0 DGAERO O=C(OCc1ccccc1)N(C[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095076942 431921028 /nfs/dbraw/zinc/92/10/28/431921028.db2.gz IDOYZQRIWAOIMA-CYBMUJFWSA-N 1 0 316.323 3.145 10 0 DGAERO C[C@H](c1ccc[nH]1)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000095088992 431921434 /nfs/dbraw/zinc/92/14/34/431921434.db2.gz TUJHZMJCQVBMOU-CYBMUJFWSA-N 1 0 307.438 3.407 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088713 431921533 /nfs/dbraw/zinc/92/15/33/431921533.db2.gz CRMNSYOBQUIXOA-ZIAGYGMSSA-N 1 0 307.438 3.407 10 0 DGAERO CC[C@H](C[N@H+](C)Cc1ccccc1)n1c(CO)nc2cccnc21 ZINC000095089613 431921904 /nfs/dbraw/zinc/92/19/04/431921904.db2.gz USJZDOIEIFZVEV-MRXNPFEDSA-N 1 0 324.428 3.007 10 0 DGAERO c1ccc(C[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000089732173 431876174 /nfs/dbraw/zinc/87/61/74/431876174.db2.gz YHWNWBAKPMTYKY-RTBURBONSA-N 1 0 322.456 3.056 10 0 DGAERO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000089732110 431876336 /nfs/dbraw/zinc/87/63/36/431876336.db2.gz KQUURMLHQUKGCG-AEFFLSMTSA-N 1 0 310.445 3.413 10 0 DGAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089733018 431876544 /nfs/dbraw/zinc/87/65/44/431876544.db2.gz FYCNNAONHUCOBT-CRAIPNDOSA-N 1 0 310.445 3.359 10 0 DGAERO CCn1ccnc1CNc1ccccc1C(=O)N1CCCCC1 ZINC000123941094 431878994 /nfs/dbraw/zinc/87/89/94/431878994.db2.gz AWFWXXBUYQRMCX-UHFFFAOYSA-N 1 0 312.417 3.141 10 0 DGAERO Cc1cnn(-c2ccncc2NC(=O)CSC(C)(C)C)c1 ZINC000124181395 431885469 /nfs/dbraw/zinc/88/54/69/431885469.db2.gz KWJAAPZUIMKNTF-UHFFFAOYSA-N 1 0 304.419 3.046 10 0 DGAERO COc1ccccc1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124309387 431889846 /nfs/dbraw/zinc/88/98/46/431889846.db2.gz MWSIMPCXMWUUOP-OWCLPIDISA-N 1 0 318.461 3.130 10 0 DGAERO COc1cccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1F ZINC000090371877 431891028 /nfs/dbraw/zinc/89/10/28/431891028.db2.gz HDIPDIKOPFKOLQ-SCLBCKFNSA-N 1 0 322.424 3.075 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)CCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000124367506 431891609 /nfs/dbraw/zinc/89/16/09/431891609.db2.gz XXMMKYMIJBKELN-DZGCQCFKSA-N 1 0 324.852 3.050 10 0 DGAERO COc1ccccc1C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)C(C)C ZINC000090453862 431892137 /nfs/dbraw/zinc/89/21/37/431892137.db2.gz MHOHXAOOMIEGLQ-WMZOPIPTSA-N 1 0 313.445 3.133 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)CCSc2ccccc2F)CC[N@@H+]1C ZINC000124433762 431893330 /nfs/dbraw/zinc/89/33/30/431893330.db2.gz OVEYYLJDCVZMQD-UONOGXRCSA-N 1 0 324.465 3.249 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000046279065 431896333 /nfs/dbraw/zinc/89/63/33/431896333.db2.gz VUDMXSAUZGMPMU-WMLDXEAASA-N 1 0 303.450 3.046 10 0 DGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000046279026 431896470 /nfs/dbraw/zinc/89/64/70/431896470.db2.gz UUVXDOKREKAVRB-CYBMUJFWSA-N 1 0 311.857 3.212 10 0 DGAERO COc1ccccc1C[C@@H]([NH2+]CCCNC(=O)C(C)C)C(C)C ZINC000090880653 431896788 /nfs/dbraw/zinc/89/67/88/431896788.db2.gz ZBZAHAKIPRLKON-QGZVFWFLSA-N 1 0 320.477 3.014 10 0 DGAERO CCNC(=O)CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000046503487 431898076 /nfs/dbraw/zinc/89/80/76/431898076.db2.gz QUZATNIKZMWPSF-INIZCTEOSA-N 1 0 320.483 3.283 10 0 DGAERO CC(C)NC(=O)CC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000046503241 431898323 /nfs/dbraw/zinc/89/83/23/431898323.db2.gz UCPBMUJUJXBROC-LBPRGKRZSA-N 1 0 305.447 3.204 10 0 DGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccsc1 ZINC000090939148 431898967 /nfs/dbraw/zinc/89/89/67/431898967.db2.gz RWJNEMRDHSPOSS-CHWSQXEVSA-N 1 0 313.426 3.197 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(F)cc1Br ZINC000090940246 431898995 /nfs/dbraw/zinc/89/89/95/431898995.db2.gz SLQYTUQZULQZIZ-IGJMFERPSA-N 1 0 302.187 3.416 10 0 DGAERO CCN1CC[C@@H]([NH2+]Cc2cc[nH]n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091071795 431900982 /nfs/dbraw/zinc/90/09/82/431900982.db2.gz WEPLMBNWNAHIJG-CVEARBPZSA-N 1 0 322.815 3.127 10 0 DGAERO CCc1nc2n(n1)C[C@@H](Nc1cc(CC)[nH+]c3ccccc13)CC2 ZINC000124763607 431903372 /nfs/dbraw/zinc/90/33/72/431903372.db2.gz HYGBDSAXYADTJU-AWEZNQCLSA-N 1 0 321.428 3.378 10 0 DGAERO Cc1cc2[nH]c(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2c(C)c1 ZINC000127529756 431975102 /nfs/dbraw/zinc/97/51/02/431975102.db2.gz UJMIJDLGHQWAQI-CABCVRRESA-N 1 0 313.445 3.339 10 0 DGAERO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCCOCc1ccccc1 ZINC000127530414 431975116 /nfs/dbraw/zinc/97/51/16/431975116.db2.gz VHSZBODRJJMQBH-SFHVURJKSA-N 1 0 313.445 3.384 10 0 DGAERO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)CCc1ccc(F)cc1 ZINC000055022585 431975625 /nfs/dbraw/zinc/97/56/25/431975625.db2.gz VLMCNLCJTBANRI-OAHLLOKOSA-N 1 0 314.404 3.005 10 0 DGAERO C[NH+](C)Cc1cccc(NC(=O)c2coc(Br)c2)c1 ZINC000127660569 431977261 /nfs/dbraw/zinc/97/72/61/431977261.db2.gz XUMBPWIAIDRXNB-UHFFFAOYSA-N 1 0 323.190 3.356 10 0 DGAERO CCCCOC/C=C/C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000095934578 431927236 /nfs/dbraw/zinc/92/72/36/431927236.db2.gz AOFYPHFJDWPVMY-BQYQJAHWSA-N 1 0 303.446 3.343 10 0 DGAERO Cc1cc2cc([C@H](C)[NH2+]C[C@]3(CCO)CCOC3)oc2cc1C ZINC000125516016 431928431 /nfs/dbraw/zinc/92/84/31/431928431.db2.gz CCRXTAJNTFBMLK-KXBFYZLASA-N 1 0 317.429 3.489 10 0 DGAERO O=C(CCc1ccsc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073233 431936387 /nfs/dbraw/zinc/93/63/87/431936387.db2.gz LIAQYMXZLLOZFC-UHFFFAOYSA-N 1 0 306.475 3.015 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccc(Cl)s1 ZINC000049129323 431936824 /nfs/dbraw/zinc/93/68/24/431936824.db2.gz DHVZMJGVAZWHFD-GHMZBOCLSA-N 1 0 315.822 3.223 10 0 DGAERO Cc1ccc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000125897063 431937665 /nfs/dbraw/zinc/93/76/65/431937665.db2.gz KXWYDSXRPWURNO-ZDUSSCGKSA-N 1 0 307.415 3.185 10 0 DGAERO CCCn1cc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cn1 ZINC000126182873 431944499 /nfs/dbraw/zinc/94/44/99/431944499.db2.gz SJBIXWDZEGZBKT-IBGZPJMESA-N 1 0 313.445 3.165 10 0 DGAERO CCOc1cc(C[N@H+](C)CC)cc(Br)c1OC ZINC000126291198 431946979 /nfs/dbraw/zinc/94/69/79/431946979.db2.gz CFDFPHQJSYRUOD-UHFFFAOYSA-N 1 0 302.212 3.308 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccccc2F)C1 ZINC000052593724 431956269 /nfs/dbraw/zinc/95/62/69/431956269.db2.gz IRMJAAKWUCAFOZ-KBPBESRZSA-N 1 0 307.413 3.012 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000052594824 431957651 /nfs/dbraw/zinc/95/76/51/431957651.db2.gz INPUSUWPYUFAKY-UONOGXRCSA-N 1 0 307.463 3.079 10 0 DGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1sccc1Br ZINC000052762378 431958282 /nfs/dbraw/zinc/95/82/82/431958282.db2.gz HCNQRZXCSSHYKS-JTQLQIEISA-N 1 0 304.253 3.248 10 0 DGAERO CCN(CC)c1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cn1 ZINC000126881210 431959634 /nfs/dbraw/zinc/95/96/34/431959634.db2.gz RVKXVRBFPRRMKG-OAHLLOKOSA-N 1 0 305.466 3.364 10 0 DGAERO CCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000052887050 431959837 /nfs/dbraw/zinc/95/98/37/431959837.db2.gz GCHZEAPJJKXVQB-CQSZACIVSA-N 1 0 306.207 3.328 10 0 DGAERO COc1ccc(C[N@H+](CC(=O)NC(C)(C)C)[C@@H](C)C2CC2)cc1 ZINC000053097833 431960413 /nfs/dbraw/zinc/96/04/13/431960413.db2.gz CKFLNKWZGDEFQR-AWEZNQCLSA-N 1 0 318.461 3.210 10 0 DGAERO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000053287928 431962239 /nfs/dbraw/zinc/96/22/39/431962239.db2.gz KKDPOJJAMWEICJ-UHFFFAOYSA-N 1 0 316.376 3.301 10 0 DGAERO COc1ccc(OCC[NH+]2CCC(OCC(C)C)CC2)cc1 ZINC000054322293 431969314 /nfs/dbraw/zinc/96/93/14/431969314.db2.gz FRUVBBBRTWCYFA-UHFFFAOYSA-N 1 0 307.434 3.211 10 0 DGAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127360703 431969759 /nfs/dbraw/zinc/96/97/59/431969759.db2.gz DJNCGMYCPBTXJL-GFCCVEGCSA-N 1 0 315.230 3.162 10 0 DGAERO CC(C)COC1CC[NH+]([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000054327176 431970040 /nfs/dbraw/zinc/97/00/40/431970040.db2.gz HPTZGTFDRAKGJB-AQFXKWCLSA-N 1 0 324.509 3.207 10 0 DGAERO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@H]1CCOC1 ZINC000127333988 431970158 /nfs/dbraw/zinc/97/01/58/431970158.db2.gz CWBAHFSFHWIEAZ-ONGXEEELSA-N 1 0 302.187 3.103 10 0 DGAERO Cc1[nH]c2c(cccc2C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000127884362 431983161 /nfs/dbraw/zinc/98/31/61/431983161.db2.gz HFVSVZHWFIXGKJ-IUODEOHRSA-N 1 0 313.445 3.339 10 0 DGAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1 ZINC000055375018 431981299 /nfs/dbraw/zinc/98/12/99/431981299.db2.gz MDRLSXGSWPWBSE-CHWSQXEVSA-N 1 0 312.369 3.093 10 0 DGAERO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000097466583 281051655 /nfs/dbraw/zinc/05/16/55/281051655.db2.gz OAJVWVVZQBTFSZ-STQMWFEESA-N 1 0 306.372 3.052 10 0 DGAERO COc1ccc([C@@]2(O)[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000100645516 431982580 /nfs/dbraw/zinc/98/25/80/431982580.db2.gz QYTFAGWHTOOKET-OPVJXMOQSA-N 1 0 309.409 3.035 10 0 DGAERO CCc1oc2ccccc2c1C[NH+]1CCN(c2cccnn2)CC1 ZINC000127958133 431984508 /nfs/dbraw/zinc/98/45/08/431984508.db2.gz BOFUIBPKNXXKDL-UHFFFAOYSA-N 1 0 322.412 3.107 10 0 DGAERO CC(=O)Nc1cccc(C[N@H+](C)CCOc2ccc(C)cc2)c1 ZINC000101543604 431985517 /nfs/dbraw/zinc/98/55/17/431985517.db2.gz YQXGLCZVXFDLNP-UHFFFAOYSA-N 1 0 312.413 3.464 10 0 DGAERO CC[C@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@H]1c1ccccc1 ZINC000472234964 281161081 /nfs/dbraw/zinc/16/10/81/281161081.db2.gz ZIMAFSOMSYHDIW-PKOBYXMFSA-N 1 0 314.473 3.371 10 0 DGAERO C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC000128072403 431987033 /nfs/dbraw/zinc/98/70/33/431987033.db2.gz SZCAHQWMLISORV-HNNXBMFYSA-N 1 0 305.809 3.341 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)cc1Cl ZINC000191270846 281191771 /nfs/dbraw/zinc/19/17/71/281191771.db2.gz ACYNIMZLVBLBNF-UONOGXRCSA-N 1 0 306.837 3.347 10 0 DGAERO Cc1ccc(CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)s1 ZINC000057044413 431990358 /nfs/dbraw/zinc/99/03/58/431990358.db2.gz XGPBYBZGJNUUIH-MRXNPFEDSA-N 1 0 308.491 3.226 10 0 DGAERO Cc1ccc(CC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000057048519 431990505 /nfs/dbraw/zinc/99/05/05/431990505.db2.gz AGLOZLJFXGMKLU-CYBMUJFWSA-N 1 0 308.491 3.226 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCCc2ccccc2)C1 ZINC000057870347 431993589 /nfs/dbraw/zinc/99/35/89/431993589.db2.gz LHPNTDMSBZQMFE-GOSISDBHSA-N 1 0 317.477 3.135 10 0 DGAERO Cc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000127990706 281379229 /nfs/dbraw/zinc/37/92/29/281379229.db2.gz IIKHFJMNGFFFLF-DLBZAZTESA-N 1 0 310.445 3.447 10 0 DGAERO C[C@@H](O)[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000183212345 432269501 /nfs/dbraw/zinc/26/95/01/432269501.db2.gz QOILZZAKSIHOLC-NEPJUHHUSA-N 1 0 306.793 3.198 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccc(F)c1F ZINC000183220669 432270552 /nfs/dbraw/zinc/27/05/52/432270552.db2.gz WXZYEBQEQWWIAY-GFCCVEGCSA-N 1 0 314.339 3.396 10 0 DGAERO Cn1c(C(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1-c1ccccc1 ZINC000173337217 432271365 /nfs/dbraw/zinc/27/13/65/432271365.db2.gz PKCHIBBAECYBRF-UHFFFAOYSA-N 1 0 323.440 3.002 10 0 DGAERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C)c1 ZINC000248144880 432272343 /nfs/dbraw/zinc/27/23/43/432272343.db2.gz ZHPSEBILRAPKCV-OALUTQOASA-N 1 0 308.425 3.479 10 0 DGAERO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(F)c(F)c1 ZINC000173315289 432272396 /nfs/dbraw/zinc/27/23/96/432272396.db2.gz MNKVUQXWYSCPFD-LBPRGKRZSA-N 1 0 314.339 3.396 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(Cl)cc1 ZINC000173332875 432272433 /nfs/dbraw/zinc/27/24/33/432272433.db2.gz AOLNYQLIKYCSLU-HZPDHXFCSA-N 1 0 321.852 3.108 10 0 DGAERO CC[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000173345760 432274325 /nfs/dbraw/zinc/27/43/25/432274325.db2.gz CFBQPKNWXKLXHM-SJORKVTESA-N 1 0 310.869 3.228 10 0 DGAERO CSC[C@](C)(O)C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000248170568 432274467 /nfs/dbraw/zinc/27/44/67/432274467.db2.gz URJSNYNCAIGLEV-MQIPJXDCSA-N 1 0 324.515 3.492 10 0 DGAERO COc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)c(F)c1 ZINC000248199394 432276108 /nfs/dbraw/zinc/27/61/08/432276108.db2.gz YCUUBNNDRGUJGR-FJNPEDAXSA-N 1 0 301.361 3.143 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(C)c(C)s1 ZINC000248235433 432276605 /nfs/dbraw/zinc/27/66/05/432276605.db2.gz SHTAPCXQZNQINW-RDBSUJKOSA-N 1 0 308.447 3.066 10 0 DGAERO CC(C)(C(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1F ZINC000183287822 432278850 /nfs/dbraw/zinc/27/88/50/432278850.db2.gz SQCMCTFYFRHNAY-UHFFFAOYSA-N 1 0 316.376 3.080 10 0 DGAERO CC[C@@H]1C[N@@H+]([C@@H](C)CCc2cccc(F)c2)CCN1CCOC ZINC000183277457 432278861 /nfs/dbraw/zinc/27/88/61/432278861.db2.gz FYRCRYKUDIPQFJ-QFBILLFUSA-N 1 0 322.468 3.189 10 0 DGAERO CCOC(=O)C1CCC([NH2+]CCc2cc(C)c(O)c(C)c2)CC1 ZINC000191573840 432279501 /nfs/dbraw/zinc/27/95/01/432279501.db2.gz MHSMYMJACKQQKC-UHFFFAOYSA-N 1 0 319.445 3.263 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)CC2 ZINC000183293241 432279706 /nfs/dbraw/zinc/27/97/06/432279706.db2.gz YXFMDNSYSLFWRF-RYUDHWBXSA-N 1 0 320.387 3.345 10 0 DGAERO COc1cccc(F)c1[C@@H](C)[NH2+]CCCOCC(F)(F)F ZINC000151824868 432280318 /nfs/dbraw/zinc/28/03/18/432280318.db2.gz SDLIVYFIBPIKRI-SNVBAGLBSA-N 1 0 309.303 3.454 10 0 DGAERO FC(F)n1c2ccccc2nc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248358927 432281951 /nfs/dbraw/zinc/28/19/51/432281951.db2.gz RISUAXUFVWJRDI-ZDUSSCGKSA-N 1 0 320.387 3.102 10 0 DGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1SCCc2sccc21 ZINC000173508363 432282823 /nfs/dbraw/zinc/28/28/23/432282823.db2.gz IWKNOIUMECFUEO-WFASDCNBSA-N 1 0 324.515 3.069 10 0 DGAERO CCOCCN1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C[C@@H]1C ZINC000248385453 432283455 /nfs/dbraw/zinc/28/34/55/432283455.db2.gz IOAIRCBSKYGTSK-SJORKVTESA-N 1 0 322.468 3.189 10 0 DGAERO CC[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000248399147 432284327 /nfs/dbraw/zinc/28/43/27/432284327.db2.gz OFXYFLIZSNKREI-DLBZAZTESA-N 1 0 304.409 3.016 10 0 DGAERO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)[C@H](C)c1ccccc1 ZINC000183355675 432285295 /nfs/dbraw/zinc/28/52/95/432285295.db2.gz ZIUYJYAVUSURSH-QKLQHJQFSA-N 1 0 313.441 3.346 10 0 DGAERO CCOc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)ccc1OC ZINC000248401098 432285481 /nfs/dbraw/zinc/28/54/81/432285481.db2.gz ROMXFZWSDYNOJB-IRXDYDNUSA-N 1 0 318.461 3.153 10 0 DGAERO O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000173533580 432286070 /nfs/dbraw/zinc/28/60/70/432286070.db2.gz OCADLXZXGCGJIY-GOSISDBHSA-N 1 0 322.880 3.181 10 0 DGAERO CSc1ccc(OCC[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000173606183 432290025 /nfs/dbraw/zinc/29/00/25/432290025.db2.gz ZILBNZVJKBTIEW-UHFFFAOYSA-N 1 0 317.458 3.390 10 0 DGAERO Cc1cccc(C2(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)CCCCC2)c1 ZINC000152089297 432303740 /nfs/dbraw/zinc/30/37/40/432303740.db2.gz JIIGQVHOTOXCDY-WMZOPIPTSA-N 1 0 314.473 3.441 10 0 DGAERO Cc1nc(CN(C)CC[C@H]2CCCC[N@@H+]2C)nc2ccccc12 ZINC000173641507 432291756 /nfs/dbraw/zinc/29/17/56/432291756.db2.gz VUZINPIDTQSOLI-MRXNPFEDSA-N 1 0 312.461 3.244 10 0 DGAERO C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)CC1(O)CCCC1 ZINC000151968545 432292264 /nfs/dbraw/zinc/29/22/64/432292264.db2.gz PAERJODTKVVKAC-UHFFFAOYSA-N 1 0 304.365 3.218 10 0 DGAERO CSCCC[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000173674360 432293222 /nfs/dbraw/zinc/29/32/22/432293222.db2.gz NXUMABFBOUBGQL-UHFFFAOYSA-N 1 0 305.447 3.011 10 0 DGAERO Cc1cc(C)cc([C@@H]2CC[N@@H+](CCCS(=O)(=O)C(C)C)C2)c1 ZINC000183477842 432296133 /nfs/dbraw/zinc/29/61/33/432296133.db2.gz FYDPXNAEJWGWOL-QGZVFWFLSA-N 1 0 323.502 3.306 10 0 DGAERO CCC[C@@H](C)C[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000183514135 432298567 /nfs/dbraw/zinc/29/85/67/432298567.db2.gz APHBZFFEOKMOMO-CQSZACIVSA-N 1 0 319.449 3.342 10 0 DGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C)nc1C ZINC000248549578 432299692 /nfs/dbraw/zinc/29/96/92/432299692.db2.gz HKTGHGNJTPEGBZ-PVAVHDDUSA-N 1 0 302.418 3.005 10 0 DGAERO C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)[C@@H]1COc2ccccc21 ZINC000248569325 432301973 /nfs/dbraw/zinc/30/19/73/432301973.db2.gz FSQHHQKHJKEVKL-XNJJOIOASA-N 1 0 319.351 3.153 10 0 DGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCCc3ccccc3)[C@H]2C1 ZINC000248583228 432302546 /nfs/dbraw/zinc/30/25/46/432302546.db2.gz WRJAGYFJSPBELT-QYZOEREBSA-N 1 0 303.446 3.278 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C)cc1F ZINC000102699140 431996807 /nfs/dbraw/zinc/99/68/07/431996807.db2.gz GWQDZHMPGRZAHD-ZDUSSCGKSA-N 1 0 310.413 3.130 10 0 DGAERO CCOc1ccc([C@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1OCC ZINC000102685442 431996851 /nfs/dbraw/zinc/99/68/51/431996851.db2.gz KEDZRORBZLUHEF-ZDUSSCGKSA-N 1 0 322.449 3.049 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccccc2)cc1F ZINC000102698561 431997447 /nfs/dbraw/zinc/99/74/47/431997447.db2.gz BZTLLHCRYXXSCF-ZDUSSCGKSA-N 1 0 316.376 3.148 10 0 DGAERO FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+][C@H]2CCSC2)C1 ZINC000248572184 432302833 /nfs/dbraw/zinc/30/28/33/432302833.db2.gz RNDOEPFHCIBGTR-NEPJUHHUSA-N 1 0 316.392 3.379 10 0 DGAERO Fc1ccc2oc(CN3CCC[C@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000151626325 432261206 /nfs/dbraw/zinc/26/12/06/432261206.db2.gz SFCZXRJYVCDIIT-HNNXBMFYSA-N 1 0 317.408 3.417 10 0 DGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1ccc2ccccc2c1 ZINC000183127462 432262205 /nfs/dbraw/zinc/26/22/05/432262205.db2.gz FDNOKGAGJFNOCA-DEYYWGMASA-N 1 0 312.413 3.324 10 0 DGAERO CC[NH+](CC)CCCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000151654233 432264317 /nfs/dbraw/zinc/26/43/17/432264317.db2.gz MGXRTJLNBPPPLE-UHFFFAOYSA-N 1 0 301.434 3.246 10 0 DGAERO C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@@H]1CCCO1 ZINC000183177805 432265566 /nfs/dbraw/zinc/26/55/66/432265566.db2.gz FYCUKOFURHSEIJ-XEZPLFJOSA-N 1 0 324.490 3.109 10 0 DGAERO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccccn3)CC1)CC2 ZINC000173229393 432265647 /nfs/dbraw/zinc/26/56/47/432265647.db2.gz HDMZEEQNNAVOBD-LJQANCHMSA-N 1 0 323.440 3.336 10 0 DGAERO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)s1 ZINC000248748891 432316385 /nfs/dbraw/zinc/31/63/85/432316385.db2.gz TXXWCIAHQXCXLI-QWRGUYRKSA-N 1 0 320.380 3.471 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccncc1 ZINC000174104741 432321044 /nfs/dbraw/zinc/32/10/44/432321044.db2.gz RQCZWOBCFQNLHT-GUYCJALGSA-N 1 0 313.376 3.067 10 0 DGAERO COc1ccc(C[C@H](C)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1F ZINC000248868121 432325629 /nfs/dbraw/zinc/32/56/29/432325629.db2.gz IRAFDMIALGCFLA-MZTNWIODSA-N 1 0 321.436 3.416 10 0 DGAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000174171740 432327924 /nfs/dbraw/zinc/32/79/24/432327924.db2.gz XERVSRSKMJXZGE-INIZCTEOSA-N 1 0 317.477 3.137 10 0 DGAERO CC(C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000174195127 432329324 /nfs/dbraw/zinc/32/93/24/432329324.db2.gz AVILRWXIFCHFPY-KBPBESRZSA-N 1 0 320.399 3.155 10 0 DGAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000248907671 432330053 /nfs/dbraw/zinc/33/00/53/432330053.db2.gz MEGMJUCBCOBXBB-IAGOWNOFSA-N 1 0 305.466 3.024 10 0 DGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000174228752 432330139 /nfs/dbraw/zinc/33/01/39/432330139.db2.gz GXBYQEJTKRNMTL-INIZCTEOSA-N 1 0 317.477 3.137 10 0 DGAERO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183832969 432330284 /nfs/dbraw/zinc/33/02/84/432330284.db2.gz UTJLWIABXAMTST-OAHLLOKOSA-N 1 0 322.412 3.496 10 0 DGAERO c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)n1 ZINC000271114475 432331918 /nfs/dbraw/zinc/33/19/18/432331918.db2.gz GDICYOMAFUAAEK-OAHLLOKOSA-N 1 0 307.401 3.179 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C12CCOCC2 ZINC000248995491 432332470 /nfs/dbraw/zinc/33/24/70/432332470.db2.gz LXXBLHRNEYHBJS-KBRIMQKVSA-N 1 0 307.409 3.451 10 0 DGAERO C[C@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@H]1c1ccccc1 ZINC000249015587 432334308 /nfs/dbraw/zinc/33/43/08/432334308.db2.gz PLNJTNJCMRVGAJ-SCLBCKFNSA-N 1 0 308.385 3.268 10 0 DGAERO CCO[C@H](CC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2)C(C)C ZINC000249039244 432334528 /nfs/dbraw/zinc/33/45/28/432334528.db2.gz USWZDLMWSYVNJC-IXDOHACOSA-N 1 0 313.482 3.001 10 0 DGAERO CN1C[C@H]([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CCC1=O ZINC000152500091 432336596 /nfs/dbraw/zinc/33/65/96/432336596.db2.gz QEFMJGDQGPJKPN-RNCFNFMXSA-N 1 0 313.228 3.191 10 0 DGAERO CCc1oc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1C ZINC000152533079 432338226 /nfs/dbraw/zinc/33/82/26/432338226.db2.gz HMDFXUTXEJZIHQ-UHFFFAOYSA-N 1 0 304.434 3.287 10 0 DGAERO CCc1nc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)sc1C ZINC000174335433 432338422 /nfs/dbraw/zinc/33/84/22/432338422.db2.gz HWGUXYYFMATEJH-CYBMUJFWSA-N 1 0 322.478 3.106 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(F)c(CSC)c2)C1 ZINC000174344969 432338704 /nfs/dbraw/zinc/33/87/04/432338704.db2.gz KINHXSONXYRSAD-OAHLLOKOSA-N 1 0 324.465 3.245 10 0 DGAERO CCc1nc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)sc1C ZINC000174354545 432340001 /nfs/dbraw/zinc/34/00/01/432340001.db2.gz MLMGNWXOLOLMHC-YHWZYXNKSA-N 1 0 322.478 3.151 10 0 DGAERO CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)[C@H]1CCCC[C@H]1C ZINC000249302956 432345069 /nfs/dbraw/zinc/34/50/69/432345069.db2.gz CKNBEQUQLITFDP-DYVFJYSZSA-N 1 0 302.422 3.476 10 0 DGAERO O=C(C[C@@H]1CCC[N@@H+]1CC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000249365040 432345617 /nfs/dbraw/zinc/34/56/17/432345617.db2.gz OGICCBNTUCMXNU-DLBZAZTESA-N 1 0 305.393 3.432 10 0 DGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249363998 432345631 /nfs/dbraw/zinc/34/56/31/432345631.db2.gz UHSAXCHWFWUNGV-QYZOEREBSA-N 1 0 314.473 3.259 10 0 DGAERO CC1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)OCCCO1 ZINC000192249102 432349944 /nfs/dbraw/zinc/34/99/44/432349944.db2.gz SNZLEYXGHDCRKE-UHFFFAOYSA-N 1 0 305.349 3.328 10 0 DGAERO Fc1ccc(CC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1F ZINC000152102619 432304509 /nfs/dbraw/zinc/30/45/09/432304509.db2.gz FWYZEEFLAXQKTB-HNNXBMFYSA-N 1 0 317.383 3.336 10 0 DGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000248602668 432305290 /nfs/dbraw/zinc/30/52/90/432305290.db2.gz AYKTWDLIQXJDBG-GZBFAFLISA-N 1 0 322.497 3.290 10 0 DGAERO CCCCC[N@H+](CCO)Cc1sc(C)nc1C(F)(F)F ZINC000183585051 432307059 /nfs/dbraw/zinc/30/70/59/432307059.db2.gz BSGLJIHDURPMHF-UHFFFAOYSA-N 1 0 310.385 3.455 10 0 DGAERO CC[N@H+](C)C[C@H]1CCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000173923333 432308106 /nfs/dbraw/zinc/30/81/06/432308106.db2.gz KNRSBFFRYFAXLQ-CQSZACIVSA-N 1 0 317.408 3.254 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccccc2)CC[N@@H+]1C ZINC000173917162 432308528 /nfs/dbraw/zinc/30/85/28/432308528.db2.gz WNBGCVICKMXTCK-WBVHZDCISA-N 1 0 317.477 3.088 10 0 DGAERO COCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000183601570 432308754 /nfs/dbraw/zinc/30/87/54/432308754.db2.gz MJVBDTSUOIWKBV-HZPDHXFCSA-N 1 0 324.509 3.066 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccccc2)CC[N@@H+]1C ZINC000173917178 432309075 /nfs/dbraw/zinc/30/90/75/432309075.db2.gz WNBGCVICKMXTCK-RDJZCZTQSA-N 1 0 317.477 3.088 10 0 DGAERO CSCc1cc(C(=O)NCCC[NH+]2CCCCC2)ccc1F ZINC000174016664 432313384 /nfs/dbraw/zinc/31/33/84/432313384.db2.gz ITDSINLGMVNSES-UHFFFAOYSA-N 1 0 324.465 3.295 10 0 DGAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000174012260 432314115 /nfs/dbraw/zinc/31/41/15/432314115.db2.gz XVZDISUXQPEAPW-VXGBXAGGSA-N 1 0 312.360 3.347 10 0 DGAERO Cc1csc([C@@H]2CCC[N@@H+]([C@H](C)c3nc(C)cc(=O)[nH]3)C2)n1 ZINC000248729121 432314959 /nfs/dbraw/zinc/31/49/59/432314959.db2.gz IYJWRLKFWAIRER-CHWSQXEVSA-N 1 0 318.446 3.196 10 0 DGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000192421835 432371879 /nfs/dbraw/zinc/37/18/79/432371879.db2.gz ZYVNCJLEBZVEPK-VIFPVBQESA-N 1 0 320.195 3.300 10 0 DGAERO C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000152965761 432372355 /nfs/dbraw/zinc/37/23/55/432372355.db2.gz SGUBLHMPSXVMQG-UHOSZYNNSA-N 1 0 302.462 3.056 10 0 DGAERO Cc1cccc(C2=CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)c1 ZINC000184301538 432376494 /nfs/dbraw/zinc/37/64/94/432376494.db2.gz GQNXHHOKOZJJNX-UHFFFAOYSA-N 1 0 321.424 3.386 10 0 DGAERO COC(=O)C1CCC([NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000192447829 432376957 /nfs/dbraw/zinc/37/69/57/432376957.db2.gz DAKWDGKKYMODIF-LRVUVFPRSA-N 1 0 321.465 3.329 10 0 DGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000184317897 432379362 /nfs/dbraw/zinc/37/93/62/432379362.db2.gz VTSNUPSVRKMHJD-LBPRGKRZSA-N 1 0 317.355 3.245 10 0 DGAERO Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)nc(-c2ccncc2)n1 ZINC000174921124 432380266 /nfs/dbraw/zinc/38/02/66/432380266.db2.gz GXSJHEJAJMYJJL-CVEARBPZSA-N 1 0 311.433 3.132 10 0 DGAERO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2cccs2)CC[N@@H+]1C ZINC000174931241 432381035 /nfs/dbraw/zinc/38/10/35/432381035.db2.gz OWEVZVSGWFYWEM-ZIAGYGMSSA-N 1 0 323.506 3.150 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc(F)ccc2o1 ZINC000174960037 432383768 /nfs/dbraw/zinc/38/37/68/432383768.db2.gz LBSAFNAHZDKXTQ-LSDHHAIUSA-N 1 0 316.376 3.271 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000174994621 432386472 /nfs/dbraw/zinc/38/64/72/432386472.db2.gz HCPRCVWRBMPQOO-ZTFGCOKTSA-N 1 0 318.436 3.405 10 0 DGAERO C[C@@H](CCC1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174989526 432386880 /nfs/dbraw/zinc/38/68/80/432386880.db2.gz XXSLHERQMMQBHC-WMZOPIPTSA-N 1 0 319.493 3.391 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)c1cccc(F)c1 ZINC000174994670 432387372 /nfs/dbraw/zinc/38/73/72/432387372.db2.gz LKVHTBGEKISLLP-IAOVAPTHSA-N 1 0 304.409 3.014 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000175012991 432390564 /nfs/dbraw/zinc/39/05/64/432390564.db2.gz LXXZZMAHULYYBG-DLBZAZTESA-N 1 0 323.440 3.381 10 0 DGAERO CC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000192729544 432407504 /nfs/dbraw/zinc/40/75/04/432407504.db2.gz RJLOGYXEWDUNFH-CXAGYDPISA-N 1 0 318.442 3.136 10 0 DGAERO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2ccnn2C)cc1OC ZINC000192670876 432398291 /nfs/dbraw/zinc/39/82/91/432398291.db2.gz JDMFNPGNFDLMNF-QWHCGFSZSA-N 1 0 303.406 3.158 10 0 DGAERO CC[C@@H]1C[N@H+](CCCOc2ccccc2)CCN1CC(F)F ZINC000153311703 432399213 /nfs/dbraw/zinc/39/92/13/432399213.db2.gz ZHEMFJKPFOXZSF-OAHLLOKOSA-N 1 0 312.404 3.117 10 0 DGAERO COCCC[C@@H](C)[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184516912 432399345 /nfs/dbraw/zinc/39/93/45/432399345.db2.gz BAUQBPJFVFQDHW-FZKQIMNGSA-N 1 0 322.424 3.024 10 0 DGAERO C[C@H]([NH2+]CCC1=CCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000184575240 432407617 /nfs/dbraw/zinc/40/76/17/432407617.db2.gz NVCWUGFGRBKDTJ-AWEZNQCLSA-N 1 0 322.474 3.265 10 0 DGAERO Cc1ccc([C@H](C)CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000175152735 432404218 /nfs/dbraw/zinc/40/42/18/432404218.db2.gz SGXAMKLPIMNCAC-JFIYKMOQSA-N 1 0 317.477 3.223 10 0 DGAERO CC(C)[C@H](SCc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000249771280 432357623 /nfs/dbraw/zinc/35/76/23/432357623.db2.gz BSIRPEPIUNHTFY-OIISXLGYSA-N 1 0 320.502 3.059 10 0 DGAERO COc1cccc(CNCc2cocn2)c1OC1CCCC1 ZINC000192312818 432359006 /nfs/dbraw/zinc/35/90/06/432359006.db2.gz ROGRLTLGRPUCTE-UHFFFAOYSA-N 1 0 302.374 3.294 10 0 DGAERO CC[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc(F)cc1 ZINC000184141541 432360130 /nfs/dbraw/zinc/36/01/30/432360130.db2.gz PZFBNHWERIBYNG-QGZVFWFLSA-N 1 0 304.409 3.016 10 0 DGAERO C[NH+](C)[C@H](CNCc1cocn1)c1cccc(C(F)(F)F)c1 ZINC000192344784 432361847 /nfs/dbraw/zinc/36/18/47/432361847.db2.gz ZGOZQAZDNONEQQ-CQSZACIVSA-N 1 0 313.323 3.086 10 0 DGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC)C[C@H]1C ZINC000250068758 432363337 /nfs/dbraw/zinc/36/33/37/432363337.db2.gz NRUSJKAIAKNSPR-UHOFOFEASA-N 1 0 323.408 3.292 10 0 DGAERO CC(C)COC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccco1 ZINC000184203137 432366389 /nfs/dbraw/zinc/36/63/89/432366389.db2.gz OGJSJNHGXDNPHS-IEBWSBKVSA-N 1 0 317.429 3.491 10 0 DGAERO CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1nc(C)cs1 ZINC000174764479 432368356 /nfs/dbraw/zinc/36/83/56/432368356.db2.gz LWUJJUKOHSGZMW-RDBSUJKOSA-N 1 0 324.494 3.027 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C(F)F)cc2)C[N@@H+]1C1CC1 ZINC000184226426 432368901 /nfs/dbraw/zinc/36/89/01/432368901.db2.gz VYIYKHDFPBRYFJ-RISCZKNCSA-N 1 0 323.387 3.049 10 0 DGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1ccc(Cl)cc1 ZINC000251504271 432369145 /nfs/dbraw/zinc/36/91/45/432369145.db2.gz FWDMQINLPDTWBA-BRWVUGGUSA-N 1 0 319.836 3.343 10 0 DGAERO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1cccc(F)c1 ZINC000152936563 432370291 /nfs/dbraw/zinc/37/02/91/432370291.db2.gz ZIGJUNKAFWEARZ-KRWDZBQOSA-N 1 0 320.408 3.188 10 0 DGAERO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncnc2cc(Cl)ccc21 ZINC000261406740 432429171 /nfs/dbraw/zinc/42/91/71/432429171.db2.gz BGVGWZXTDNDVHZ-GFCCVEGCSA-N 1 0 304.825 3.061 10 0 DGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000175404614 432432769 /nfs/dbraw/zinc/43/27/69/432432769.db2.gz GVTQWKFKSJEZMR-DLBZAZTESA-N 1 0 300.446 3.124 10 0 DGAERO CCc1cc(C)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000153724718 432435093 /nfs/dbraw/zinc/43/50/93/432435093.db2.gz JIPRYUCBWIFSRU-WMLDXEAASA-N 1 0 316.445 3.239 10 0 DGAERO C[NH+](C)C1CCN(C(=O)[C@H](OC(C)(C)C)c2ccccc2)CC1 ZINC000153718500 432436517 /nfs/dbraw/zinc/43/65/17/432436517.db2.gz BMOLZJDWJJPWJJ-QGZVFWFLSA-N 1 0 318.461 3.095 10 0 DGAERO CCc1ccc([C@H](COC)[NH2+]C[C@@](C)(O)c2ccccc2)o1 ZINC000184840719 432437944 /nfs/dbraw/zinc/43/79/44/432437944.db2.gz OFELFPSALDXXDC-FUHWJXTLSA-N 1 0 303.402 3.027 10 0 DGAERO CC(C)C[C@H]1CCCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185038442 432459310 /nfs/dbraw/zinc/45/93/10/432459310.db2.gz WSSGSXBIGRPUIT-OAHLLOKOSA-N 1 0 302.422 3.476 10 0 DGAERO FC(F)(F)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261657281 432438865 /nfs/dbraw/zinc/43/88/65/432438865.db2.gz BVVVVKRZZPCQSO-LBPRGKRZSA-N 1 0 304.381 3.255 10 0 DGAERO CCc1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)ccc1C ZINC000261906520 432459333 /nfs/dbraw/zinc/45/93/33/432459333.db2.gz PMEQSJONLYWFIA-TXPKVOOTSA-N 1 0 316.445 3.028 10 0 DGAERO Cc1cc(C(=O)N(CC[NH3+])CCc2ccccc2)sc1C ZINC000261662022 432439676 /nfs/dbraw/zinc/43/96/76/432439676.db2.gz FHAQHUJKDPXWGF-UHFFFAOYSA-N 1 0 302.443 3.009 10 0 DGAERO CCc1ccc(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1 ZINC000261685192 432440757 /nfs/dbraw/zinc/44/07/57/432440757.db2.gz HUZNOMSSVSMRPH-UHFFFAOYSA-N 1 0 312.388 3.215 10 0 DGAERO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000193038139 432441763 /nfs/dbraw/zinc/44/17/63/432441763.db2.gz LNBIDZFBUXFKHV-AWEZNQCLSA-N 1 0 314.351 3.163 10 0 DGAERO C[C@H]1CN(C(=O)NCCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000175514451 432442886 /nfs/dbraw/zinc/44/28/86/432442886.db2.gz KVLFTTQONPDTPA-WMZOPIPTSA-N 1 0 315.461 3.265 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1sccc1Cl)CC2 ZINC000193073136 432444908 /nfs/dbraw/zinc/44/49/08/432444908.db2.gz DDUIHAFTJWRMIZ-SNVBAGLBSA-N 1 0 310.854 3.221 10 0 DGAERO Cc1ccccc1C1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000261748396 432445543 /nfs/dbraw/zinc/44/55/43/432445543.db2.gz OXNQAUARRBBGAX-UHFFFAOYSA-N 1 0 324.399 3.450 10 0 DGAERO Cc1ccc(C)c([C@@H]2CN(C[C@@H]3CCC[NH2+]C3)[C@H](C)CO2)c1 ZINC000261753597 432446422 /nfs/dbraw/zinc/44/64/22/432446422.db2.gz CJBJBSZWVLJMOZ-LMMKCTJWSA-N 1 0 302.462 3.065 10 0 DGAERO CC(C)[C@@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175534664 432447117 /nfs/dbraw/zinc/44/71/17/432447117.db2.gz AIEUOBGKNGEUCO-MRXNPFEDSA-N 1 0 317.477 3.337 10 0 DGAERO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCc2ccsc2)cc1 ZINC000184933155 432447451 /nfs/dbraw/zinc/44/74/51/432447451.db2.gz UBBIEYXIPRXTGO-CQSZACIVSA-N 1 0 323.483 3.051 10 0 DGAERO CC(C)C[C@H](C)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000184950945 432447855 /nfs/dbraw/zinc/44/78/55/432447855.db2.gz MJIPYJMIMGPQGW-KRWDZBQOSA-N 1 0 324.509 3.020 10 0 DGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Cl)cs1)CC2 ZINC000193092248 432448531 /nfs/dbraw/zinc/44/85/31/432448531.db2.gz UTGOTRVXWZPQNP-NSHDSACASA-N 1 0 310.854 3.221 10 0 DGAERO O=C(c1cccc2ccccc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261767247 432448926 /nfs/dbraw/zinc/44/89/26/432448926.db2.gz QOZGBUVHEBCBQF-IBGZPJMESA-N 1 0 308.425 3.444 10 0 DGAERO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000153865477 432450762 /nfs/dbraw/zinc/45/07/62/432450762.db2.gz QBAPENUZYPZCKX-CQSZACIVSA-N 1 0 300.402 3.096 10 0 DGAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(F)cc1F ZINC000261804399 432452856 /nfs/dbraw/zinc/45/28/56/432452856.db2.gz RAJTUEPRRRGIBU-QGZVFWFLSA-N 1 0 318.367 3.120 10 0 DGAERO CN(Cc1coc(-c2cccc(F)c2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261842243 432454643 /nfs/dbraw/zinc/45/46/43/432454643.db2.gz YUZUJZVTERNGLE-FKEKPDDDSA-N 1 0 315.392 3.196 10 0 DGAERO CC(C)(NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000153889156 432454733 /nfs/dbraw/zinc/45/47/33/432454733.db2.gz TUCZQLHGMAJLQG-GXSJLCMTSA-N 1 0 315.244 3.472 10 0 DGAERO Cc1cc(Cl)c(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000153916851 432455824 /nfs/dbraw/zinc/45/58/24/432455824.db2.gz KGRNNZOGEAFQBW-SNVBAGLBSA-N 1 0 316.232 3.470 10 0 DGAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)CC(C)C ZINC000185022296 432457794 /nfs/dbraw/zinc/45/77/94/432457794.db2.gz JUYJTJOWCDBZBN-MRXNPFEDSA-N 1 0 317.477 3.368 10 0 DGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000153439668 432410589 /nfs/dbraw/zinc/41/05/89/432410589.db2.gz ATMYXYSUYJBEDD-INIZCTEOSA-N 1 0 302.462 3.056 10 0 DGAERO CC[C@H]1CN(Cc2ncc(-c3cccc(F)c3)o2)C[C@H](C)O1 ZINC000175221984 432412555 /nfs/dbraw/zinc/41/25/55/432412555.db2.gz JUCLESBJBHXQOX-WFASDCNBSA-N 1 0 304.365 3.480 10 0 DGAERO CCCCC[N@H+](CCO)Cc1ncc(-c2cccc(F)c2)o1 ZINC000175227799 432413706 /nfs/dbraw/zinc/41/37/06/432413706.db2.gz VPQARPXPUQPGGF-UHFFFAOYSA-N 1 0 306.381 3.465 10 0 DGAERO COc1ccc(CC2CC[NH+](Cc3cnc(N)s3)CC2)cc1 ZINC000261881742 432458659 /nfs/dbraw/zinc/45/86/59/432458659.db2.gz QZTGSACKSKJYQO-UHFFFAOYSA-N 1 0 317.458 3.189 10 0 DGAERO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184636786 432414289 /nfs/dbraw/zinc/41/42/89/432414289.db2.gz KKAQUCPARJRSMN-AWEZNQCLSA-N 1 0 306.425 3.343 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)c(F)c1 ZINC000192811907 432417601 /nfs/dbraw/zinc/41/76/01/432417601.db2.gz BEUAMPWCAXXYDR-TZMCWYRMSA-N 1 0 318.371 3.074 10 0 DGAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1 ZINC000192815150 432418832 /nfs/dbraw/zinc/41/88/32/432418832.db2.gz SDWMRKFKFVACFW-QZTJIDSGSA-N 1 0 310.445 3.495 10 0 DGAERO CCc1oc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000153546764 432419300 /nfs/dbraw/zinc/41/93/00/432419300.db2.gz KJMZXASIKILVRG-HOCLYGCPSA-N 1 0 316.445 3.239 10 0 DGAERO CSc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000175296435 432422010 /nfs/dbraw/zinc/42/20/10/432422010.db2.gz UKXBHSNBWCSDGY-CHWSQXEVSA-N 1 0 305.447 3.109 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ncc(-c2ccccc2F)o1 ZINC000175330808 432424945 /nfs/dbraw/zinc/42/49/45/432424945.db2.gz MRBMTWOPEPWPLV-AWEZNQCLSA-N 1 0 317.408 3.397 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ncc(-c2cccs2)o1 ZINC000175338943 432426682 /nfs/dbraw/zinc/42/66/82/432426682.db2.gz SGHIUDPARPBYKE-CYBMUJFWSA-N 1 0 305.447 3.319 10 0 DGAERO Fc1cc(-c2ccncc2)ccc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262063159 432472335 /nfs/dbraw/zinc/47/23/35/432472335.db2.gz RIQQFEPQVLNYJA-IBGZPJMESA-N 1 0 311.404 3.073 10 0 DGAERO CN(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262092337 432472972 /nfs/dbraw/zinc/47/29/72/432472972.db2.gz YPNAYNXDPMAEOI-ZGTYDZBXSA-N 1 0 324.468 3.022 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3scnc3c2)CC[N@@H+]1C ZINC000175872824 432473520 /nfs/dbraw/zinc/47/35/20/432473520.db2.gz UUEONIBJEGEAAM-YPMHNXCESA-N 1 0 318.446 3.243 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(SC)cc2)C1 ZINC000175863767 432473720 /nfs/dbraw/zinc/47/37/20/432473720.db2.gz GUFBNHRWHDKYLS-OAHLLOKOSA-N 1 0 321.490 3.034 10 0 DGAERO CCC1(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CCC1 ZINC000175882641 432474177 /nfs/dbraw/zinc/47/41/77/432474177.db2.gz ZENKRNGHCBKDDA-HNNXBMFYSA-N 1 0 307.413 3.060 10 0 DGAERO CC[C@H](C)Oc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000175950447 432480175 /nfs/dbraw/zinc/48/01/75/432480175.db2.gz JFPYPLCCHSQSFA-HNNXBMFYSA-N 1 0 316.445 3.174 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262288141 432480263 /nfs/dbraw/zinc/48/02/63/432480263.db2.gz MPRNPXICCATUFB-PZFZMGOFSA-N 1 0 312.457 3.190 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185231087 432481549 /nfs/dbraw/zinc/48/15/49/432481549.db2.gz FQDWLJPUTWQYPV-VUCTXSBTSA-N 1 0 307.482 3.150 10 0 DGAERO CN(C)[C@@H](C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccco1 ZINC000175976850 432482112 /nfs/dbraw/zinc/48/21/12/432482112.db2.gz DCDHERZSAMQCOL-INIZCTEOSA-N 1 0 310.401 3.062 10 0 DGAERO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2C(C)C)[NH+]2CCCC2)o1 ZINC000185246636 432482387 /nfs/dbraw/zinc/48/23/87/432482387.db2.gz KYPBUMPQQGNIOR-PMPSAXMXSA-N 1 0 304.434 3.133 10 0 DGAERO CC(C)c1csc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000176004905 432485121 /nfs/dbraw/zinc/48/51/21/432485121.db2.gz KOJBVFRXGAGWBR-NSHDSACASA-N 1 0 312.483 3.364 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000185290112 432487831 /nfs/dbraw/zinc/48/78/31/432487831.db2.gz CIOMADHKUDSNAE-OAHLLOKOSA-N 1 0 312.413 3.442 10 0 DGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(F)ccc2Cl)CC[N@@H+]1C ZINC000176064056 432489504 /nfs/dbraw/zinc/48/95/04/432489504.db2.gz QZXLTVCWCNEMAZ-PWSUYJOCSA-N 1 0 313.804 3.426 10 0 DGAERO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@](O)(C(F)(F)F)C1 ZINC000185316018 432489685 /nfs/dbraw/zinc/48/96/85/432489685.db2.gz PDPYZTHJBOANTM-OAHLLOKOSA-N 1 0 310.319 3.355 10 0 DGAERO C[C@H](C1CC1)N(C(=O)CN1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000193700559 432491169 /nfs/dbraw/zinc/49/11/69/432491169.db2.gz UWCNHUOQSFYXCY-YPMHNXCESA-N 1 0 318.383 3.050 10 0 DGAERO Cc1ccc(Cl)c(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000262551102 432491963 /nfs/dbraw/zinc/49/19/63/432491963.db2.gz SKCRZXJKDKAFNS-FABXCBLPSA-N 1 0 322.836 3.119 10 0 DGAERO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(C)c(CC)c2)C1(C)C ZINC000262556680 432491976 /nfs/dbraw/zinc/49/19/76/432491976.db2.gz UHMUQEUBZWBJSN-YJBOKZPZSA-N 1 0 304.434 3.028 10 0 DGAERO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)cc12 ZINC000193703300 432492237 /nfs/dbraw/zinc/49/22/37/432492237.db2.gz UJZAIFVHEIYPDH-LBPRGKRZSA-N 1 0 312.339 3.051 10 0 DGAERO C[C@@H](C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)C1C[NH2+]C1 ZINC000262599360 432493032 /nfs/dbraw/zinc/49/30/32/432493032.db2.gz XOBJLCKZYNBERJ-LLVKDONJSA-N 1 0 316.351 3.426 10 0 DGAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000185370204 432495411 /nfs/dbraw/zinc/49/54/11/432495411.db2.gz WCYBHUKMNRZRIH-AWEZNQCLSA-N 1 0 319.367 3.467 10 0 DGAERO Cc1ccc([C@H]2OCCC[C@H]2NC(=O)CCCCCC[NH3+])cc1 ZINC000262633808 432495484 /nfs/dbraw/zinc/49/54/84/432495484.db2.gz OFMQGGCVLQCNSV-IEBWSBKVSA-N 1 0 318.461 3.241 10 0 DGAERO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000185419842 432499171 /nfs/dbraw/zinc/49/91/71/432499171.db2.gz HJDDDAASLMTZMO-OKZBNKHCSA-N 1 0 300.446 3.059 10 0 DGAERO Cc1cccc(C(C)C)c1NC(=O)CN1CCC([NH+](C)C)CC1 ZINC000193810574 432500938 /nfs/dbraw/zinc/50/09/38/432500938.db2.gz NBUQWZWXQYFFKC-UHFFFAOYSA-N 1 0 317.477 3.083 10 0 DGAERO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000193822211 432501245 /nfs/dbraw/zinc/50/12/45/432501245.db2.gz YYPJDQQCSUIZMT-ZDUSSCGKSA-N 1 0 323.868 3.001 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1 ZINC000154485359 432501562 /nfs/dbraw/zinc/50/15/62/432501562.db2.gz LZODMNCMAAPKEN-YJBOKZPZSA-N 1 0 309.413 3.329 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(SC)c1 ZINC000176251041 432504836 /nfs/dbraw/zinc/50/48/36/432504836.db2.gz IEZXLLNTMSNSKC-CQSZACIVSA-N 1 0 307.463 3.357 10 0 DGAERO CC(C)CCCCCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262843596 432506063 /nfs/dbraw/zinc/50/60/63/432506063.db2.gz UHPYGPSBYXWSBC-MRXNPFEDSA-N 1 0 320.481 3.144 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC(F)(F)CN1)c1ccc2ccccc2c1 ZINC000262961741 432509629 /nfs/dbraw/zinc/50/96/29/432509629.db2.gz KUTHBWGYIIIKKZ-NHYWBVRUSA-N 1 0 304.340 3.014 10 0 DGAERO Cc1oc2ccccc2c1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000185057803 432461944 /nfs/dbraw/zinc/46/19/44/432461944.db2.gz JTFJNFKUEJQHMU-CYBMUJFWSA-N 1 0 300.402 3.345 10 0 DGAERO CC[C@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1cccs1 ZINC000185060395 432462449 /nfs/dbraw/zinc/46/24/49/432462449.db2.gz WPAUCEQBYLQTHV-ZDUSSCGKSA-N 1 0 302.403 3.378 10 0 DGAERO Cc1cnccc1OC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000261948548 432463277 /nfs/dbraw/zinc/46/32/77/432463277.db2.gz NOOGQCOMNQDGLX-UHFFFAOYSA-N 1 0 323.440 3.401 10 0 DGAERO CCN(CCc1cccs1)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000261946825 432464498 /nfs/dbraw/zinc/46/44/98/432464498.db2.gz ORUOMCLETWNXJM-HOTGVXAUSA-N 1 0 308.491 3.437 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185084771 432464713 /nfs/dbraw/zinc/46/47/13/432464713.db2.gz ZBHWXDKTMCVTEU-OAHLLOKOSA-N 1 0 310.482 3.010 10 0 DGAERO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000262005660 432467530 /nfs/dbraw/zinc/46/75/30/432467530.db2.gz UZZGLSLMTPFSND-OTWHNJEPSA-N 1 0 316.489 3.019 10 0 DGAERO CCc1onc(C)c1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000262014382 432467778 /nfs/dbraw/zinc/46/77/78/432467778.db2.gz VLVJKRUQGWSXEV-OAHLLOKOSA-N 1 0 315.417 3.099 10 0 DGAERO CC(C)C[C@@H](C)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000185122610 432468276 /nfs/dbraw/zinc/46/82/76/432468276.db2.gz MUBWSABKEXDWLN-OAHLLOKOSA-N 1 0 306.450 3.385 10 0 DGAERO CCCOc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000262025394 432469393 /nfs/dbraw/zinc/46/93/93/432469393.db2.gz YDOXCXVBZXXRPG-COXVUDFISA-N 1 0 302.418 3.335 10 0 DGAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000193373046 432470362 /nfs/dbraw/zinc/47/03/62/432470362.db2.gz NIPBEVZHMQBYGZ-GXTWGEPZSA-N 1 0 301.377 3.135 10 0 DGAERO CCc1ccc(C(=O)N2CCNC[C@@H]2c2ccccc2OC)cc1 ZINC000262045001 432470973 /nfs/dbraw/zinc/47/09/73/432470973.db2.gz UKNOEAPWOMATOC-GOSISDBHSA-N 1 0 324.424 3.044 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000194631235 432564995 /nfs/dbraw/zinc/56/49/95/432564995.db2.gz UAUDMRIQFTXLJE-CYBMUJFWSA-N 1 0 315.244 3.136 10 0 DGAERO CS[C@@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000176776038 432551444 /nfs/dbraw/zinc/55/14/44/432551444.db2.gz XJYYMWTZPDWCMQ-HZPDHXFCSA-N 1 0 308.491 3.183 10 0 DGAERO CS[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000176776022 432551456 /nfs/dbraw/zinc/55/14/56/432551456.db2.gz XJYYMWTZPDWCMQ-JKSUJKDBSA-N 1 0 308.491 3.183 10 0 DGAERO Cc1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)n1 ZINC000176779435 432552963 /nfs/dbraw/zinc/55/29/63/432552963.db2.gz FGIYYYATQBSXJB-KRWDZBQOSA-N 1 0 312.417 3.123 10 0 DGAERO C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000176816364 432554974 /nfs/dbraw/zinc/55/49/74/432554974.db2.gz DTOZWDPLOQRRJU-KBPBESRZSA-N 1 0 321.440 3.217 10 0 DGAERO CCN(C(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccccc1 ZINC000194516890 432558673 /nfs/dbraw/zinc/55/86/73/432558673.db2.gz XTGRDVJLVRJFTR-HNNXBMFYSA-N 1 0 323.440 3.486 10 0 DGAERO CN(C)C(=O)Sc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000176921633 432565415 /nfs/dbraw/zinc/56/54/15/432565415.db2.gz WQXAZBGYBSRGMT-HNNXBMFYSA-N 1 0 322.474 3.319 10 0 DGAERO C[C@@H]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC2)c2ccccc21 ZINC000185595124 432513330 /nfs/dbraw/zinc/51/33/30/432513330.db2.gz YONTYQUPATWFPA-KDOFPFPSSA-N 1 0 315.461 3.361 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(F)ccc1Cl ZINC000176342947 432513344 /nfs/dbraw/zinc/51/33/44/432513344.db2.gz RUIZIDMEFCRYNV-GFCCVEGCSA-N 1 0 313.804 3.427 10 0 DGAERO CCOC[C@H]1CC[N@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000176335022 432513367 /nfs/dbraw/zinc/51/33/67/432513367.db2.gz JHUXPZVJNDAXCW-HNNXBMFYSA-N 1 0 318.461 3.108 10 0 DGAERO C[C@H](NC(=O)N(C)C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272518555 432515759 /nfs/dbraw/zinc/51/57/59/432515759.db2.gz NNHJFIDJTSDUTI-RDJZCZTQSA-N 1 0 315.461 3.091 10 0 DGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C)C12CCOCC2 ZINC000185661974 432521036 /nfs/dbraw/zinc/52/10/36/432521036.db2.gz HYGDLGNYMARLJI-IRXDYDNUSA-N 1 0 307.409 3.198 10 0 DGAERO CCC[N@H+](CC)CCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176438025 432522631 /nfs/dbraw/zinc/52/26/31/432522631.db2.gz CWIKKHLDJRGBRF-AWEZNQCLSA-N 1 0 324.494 3.112 10 0 DGAERO CC(C)[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000176455097 432523530 /nfs/dbraw/zinc/52/35/30/432523530.db2.gz BPWWDEVTBPAJBR-JKSUJKDBSA-N 1 0 308.853 3.242 10 0 DGAERO CC(C)[N@H+]1C[C@H](NC(=O)CCSc2ccc(F)cc2)[C@@H](C)C1 ZINC000155607879 432564457 /nfs/dbraw/zinc/56/44/57/432564457.db2.gz DBOYQPPSJJJINE-BBRMVZONSA-N 1 0 324.465 3.153 10 0 DGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1)CC2 ZINC000154939790 432531119 /nfs/dbraw/zinc/53/11/19/432531119.db2.gz PJSKIMPDTZYZIC-CABCVRRESA-N 1 0 302.397 3.035 10 0 DGAERO COC(=O)[C@@H](C)C[N@H+](Cc1scnc1C)Cc1ccccc1 ZINC000154961208 432532219 /nfs/dbraw/zinc/53/22/19/432532219.db2.gz JYGYNCNVJCQFTF-ZDUSSCGKSA-N 1 0 318.442 3.263 10 0 DGAERO Cc1oc2ccccc2c1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000185775847 432532483 /nfs/dbraw/zinc/53/24/83/432532483.db2.gz CWUMUFDPEDXBJE-UHFFFAOYSA-N 1 0 309.369 3.450 10 0 DGAERO CCc1cccc(CC(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000154993939 432533779 /nfs/dbraw/zinc/53/37/79/432533779.db2.gz DTZCEFGUZBSZER-UHFFFAOYSA-N 1 0 310.441 3.170 10 0 DGAERO CCSCc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000155091253 432538993 /nfs/dbraw/zinc/53/89/93/432538993.db2.gz RATZXOUTYKTFQS-OKILXGFUSA-N 1 0 306.475 3.104 10 0 DGAERO COc1ccccc1C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)C(C)C ZINC000185864482 432539272 /nfs/dbraw/zinc/53/92/72/432539272.db2.gz NPSBTRKXFFWISD-SJORKVTESA-N 1 0 323.477 3.028 10 0 DGAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000155155314 432540217 /nfs/dbraw/zinc/54/02/17/432540217.db2.gz LZFBFKGAITYXIJ-GJYPPUQNSA-N 1 0 312.461 3.252 10 0 DGAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000155193466 432543001 /nfs/dbraw/zinc/54/30/01/432543001.db2.gz YLHFNQHLIIMFHI-MOPGFXCFSA-N 1 0 306.409 3.323 10 0 DGAERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186173013 432564920 /nfs/dbraw/zinc/56/49/20/432564920.db2.gz NJXFBNVSAMEISX-KMUNFCNLSA-N 1 0 318.218 3.327 10 0 DGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(-c2ccco2)s1 ZINC000194399985 432547436 /nfs/dbraw/zinc/54/74/36/432547436.db2.gz WRVJVCDGVTZTCU-QWHCGFSZSA-N 1 0 303.431 3.072 10 0 DGAERO CC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1C ZINC000194399334 432548146 /nfs/dbraw/zinc/54/81/46/432548146.db2.gz CRWKNQBBYUGMIZ-QGZVFWFLSA-N 1 0 316.445 3.048 10 0 DGAERO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C1(c2ccccc2)CCCC1 ZINC000185949677 432548207 /nfs/dbraw/zinc/54/82/07/432548207.db2.gz KQMVESMFSXJHOG-JKSUJKDBSA-N 1 0 323.502 3.157 10 0 DGAERO COc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)ccc1C ZINC000194397761 432548546 /nfs/dbraw/zinc/54/85/46/432548546.db2.gz CEVBXEWGRSMSQG-OAHLLOKOSA-N 1 0 322.412 3.435 10 0 DGAERO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nnnn1C(C)C ZINC000195120684 432605812 /nfs/dbraw/zinc/60/58/12/432605812.db2.gz DBBDBXZTQYYRRU-IRXDYDNUSA-N 1 0 313.449 3.412 10 0 DGAERO CCC[C@H](C(=O)Nc1nc2ccccc2n1CCC)[NH+](C)C ZINC000156806317 432608597 /nfs/dbraw/zinc/60/85/97/432608597.db2.gz JBIRKLQHVDKBIJ-OAHLLOKOSA-N 1 0 302.422 3.115 10 0 DGAERO Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1C ZINC000186568363 432609025 /nfs/dbraw/zinc/60/90/25/432609025.db2.gz SRJGXAXGQAFPAB-INIZCTEOSA-N 1 0 312.413 3.340 10 0 DGAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000195179902 432610378 /nfs/dbraw/zinc/61/03/78/432610378.db2.gz LSLGFWSBFVHEES-IRXDYDNUSA-N 1 0 323.502 3.278 10 0 DGAERO CCCCOC[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000195187811 432610390 /nfs/dbraw/zinc/61/03/90/432610390.db2.gz ZAHYNMXLQBNBOF-INIZCTEOSA-N 1 0 311.853 3.486 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000177321300 432612617 /nfs/dbraw/zinc/61/26/17/432612617.db2.gz DNJJVNQOZYNYSP-MSOLQXFVSA-N 1 0 315.461 3.263 10 0 DGAERO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000157149963 432615336 /nfs/dbraw/zinc/61/53/36/432615336.db2.gz ZDIMDCQMLLXZFM-JONQDZQNSA-N 1 0 305.466 3.219 10 0 DGAERO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@]1(CCO)CCOC1 ZINC000186195960 432567625 /nfs/dbraw/zinc/56/76/25/432567625.db2.gz QUBHMNDEPGZIJT-HKUYNNGSSA-N 1 0 303.446 3.060 10 0 DGAERO Cc1ccc(C)c(OCCCCC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000194687535 432568392 /nfs/dbraw/zinc/56/83/92/432568392.db2.gz MZYHFTIURMEZQZ-KRWDZBQOSA-N 1 0 318.461 3.063 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccccc2C)C12CCOCC2 ZINC000186209207 432569851 /nfs/dbraw/zinc/56/98/51/432569851.db2.gz IDCZZUHBZUAJDM-QZTJIDSGSA-N 1 0 303.446 3.101 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC2)C12CCOCC2 ZINC000186229447 432570703 /nfs/dbraw/zinc/57/07/03/432570703.db2.gz DPYDTKLCDGNRFC-QZTJIDSGSA-N 1 0 315.457 3.282 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)Cc1ccccc1 ZINC000177024229 432576051 /nfs/dbraw/zinc/57/60/51/432576051.db2.gz OYITYIXUJXQYBT-KRWDZBQOSA-N 1 0 302.462 3.198 10 0 DGAERO CCC[C@@H](C(=O)N1CCC[C@@H](c2nc(CC)cs2)C1)[NH+](C)C ZINC000155905065 432580880 /nfs/dbraw/zinc/58/08/80/432580880.db2.gz CORXLLYALBXQCK-HIFRSBDPSA-N 1 0 323.506 3.142 10 0 DGAERO COCC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1csc(C(C)C)n1 ZINC000186314145 432581839 /nfs/dbraw/zinc/58/18/39/432581839.db2.gz HNMJILWCFMMRMR-ZIAGYGMSSA-N 1 0 311.495 3.028 10 0 DGAERO Cn1cncc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000177074797 432582747 /nfs/dbraw/zinc/58/27/47/432582747.db2.gz JZPZNCWJVCELTK-MRXNPFEDSA-N 1 0 321.428 3.190 10 0 DGAERO COC(=O)[C@@]1(C)CCCN1Cc1cc(-c2ccc(C)cc2)no1 ZINC000186359375 432586122 /nfs/dbraw/zinc/58/61/22/432586122.db2.gz YPTBUCGAMUSCTM-GOSISDBHSA-N 1 0 314.385 3.178 10 0 DGAERO CCCOc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177103797 432586635 /nfs/dbraw/zinc/58/66/35/432586635.db2.gz AJNKGOCXYANASR-GJZGRUSLSA-N 1 0 317.433 3.176 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000194941598 432589459 /nfs/dbraw/zinc/58/94/59/432589459.db2.gz KTCNSASNRRTIIS-NVXWUHKLSA-N 1 0 309.498 3.329 10 0 DGAERO Cc1oc2ccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2c1C ZINC000186436535 432594050 /nfs/dbraw/zinc/59/40/50/432594050.db2.gz LHJICPIEGYVXJK-CQSZACIVSA-N 1 0 301.390 3.217 10 0 DGAERO C[C@H]1C[C@H](NC(=O)c2cc3cc(Cl)ccc3o2)C[N@@H+]1C1CC1 ZINC000177201844 432597410 /nfs/dbraw/zinc/59/74/10/432597410.db2.gz UIVAZDQGSLSHOC-GWCFXTLKSA-N 1 0 318.804 3.441 10 0 DGAERO CCN(Cc1nnc(C)n1CC)[C@H](C)c1cccc(OC)c1 ZINC000195077273 432600367 /nfs/dbraw/zinc/60/03/67/432600367.db2.gz GDUVWDCYAZXSIU-CYBMUJFWSA-N 1 0 302.422 3.198 10 0 DGAERO CC(C)(C)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000195091498 432602794 /nfs/dbraw/zinc/60/27/94/432602794.db2.gz JZYGWCYDPUOSMD-KRWDZBQOSA-N 1 0 300.446 3.294 10 0 DGAERO CCc1nnc(C[N@@H+](CC)[C@@H](CC)Cc2ccccc2)n1C ZINC000177437327 432623123 /nfs/dbraw/zinc/62/31/23/432623123.db2.gz WXHUXYWTYUNZTN-INIZCTEOSA-N 1 0 300.450 3.221 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000177451085 432624780 /nfs/dbraw/zinc/62/47/80/432624780.db2.gz LFUACXCKMIEFIC-QFBILLFUSA-N 1 0 308.425 3.008 10 0 DGAERO Cc1ccc(CCCC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000177450973 432625280 /nfs/dbraw/zinc/62/52/80/432625280.db2.gz HEKMAKZHLNXKCA-ROUUACIJSA-N 1 0 302.462 3.307 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000157634989 432627322 /nfs/dbraw/zinc/62/73/22/432627322.db2.gz KLTYBCQQXNGUHJ-UHFFFAOYSA-N 1 0 319.449 3.329 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)ccc1OC ZINC000177503590 432630851 /nfs/dbraw/zinc/63/08/51/432630851.db2.gz SRTZBPBHPSHLAS-LSDHHAIUSA-N 1 0 317.433 3.094 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)c1cccs1 ZINC000177514201 432631424 /nfs/dbraw/zinc/63/14/24/432631424.db2.gz XUBHMZZMGYFUPR-CQSZACIVSA-N 1 0 323.506 3.151 10 0 DGAERO Cc1cc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1Cl ZINC000187050317 432642486 /nfs/dbraw/zinc/64/24/86/432642486.db2.gz JLGASFGENZHVMG-DZGCQCFKSA-N 1 0 321.852 3.027 10 0 DGAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(C)n1 ZINC000187097414 432646289 /nfs/dbraw/zinc/64/62/89/432646289.db2.gz HVKBPVHCSZXLBZ-MRXNPFEDSA-N 1 0 319.449 3.188 10 0 DGAERO Cc1nc2c(s1)[C@H]([NH2+][C@H]1c3ccccc3C[C@H]1O)CCC2 ZINC000246842384 282046518 /nfs/dbraw/zinc/04/65/18/282046518.db2.gz BSCXKBOZEOQRHD-OAGGEKHMSA-N 1 0 300.427 3.077 10 0 DGAERO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000261680048 282070951 /nfs/dbraw/zinc/07/09/51/282070951.db2.gz HTSHELBMXTWLKK-RYUDHWBXSA-N 1 0 308.388 3.236 10 0 DGAERO CC[C@H]1CN(C[C@@H](C)c2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC000187211809 432653213 /nfs/dbraw/zinc/65/32/13/432653213.db2.gz OMSKJZOTKIMPIM-QAPCUYQASA-N 1 0 324.896 3.486 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000177707156 432653791 /nfs/dbraw/zinc/65/37/91/432653791.db2.gz BUXCYQNBOXUGQY-MRXNPFEDSA-N 1 0 314.429 3.018 10 0 DGAERO [NH3+]C[C@@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1 ZINC000217380059 432654232 /nfs/dbraw/zinc/65/42/32/432654232.db2.gz CXCZPHUOZMSYCT-SNVBAGLBSA-N 1 0 309.282 3.363 10 0 DGAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@]1(CCO)CCOC1)CCS2 ZINC000187306765 432655241 /nfs/dbraw/zinc/65/52/41/432655241.db2.gz LANBERGDBKEWKT-WMZOPIPTSA-N 1 0 321.486 3.219 10 0 DGAERO CC(C)(CCO)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217855807 432656083 /nfs/dbraw/zinc/65/60/83/432656083.db2.gz NKAJUQWYDRQAIA-UHFFFAOYSA-N 1 0 304.203 3.086 10 0 DGAERO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1(C)C ZINC000217857725 432656718 /nfs/dbraw/zinc/65/67/18/432656718.db2.gz QZMUWATYACPQOH-OLZOCXBDSA-N 1 0 316.214 3.491 10 0 DGAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC000177767252 432659523 /nfs/dbraw/zinc/65/95/23/432659523.db2.gz WFGAHGCATOLHDT-JTQLQIEISA-N 1 0 318.339 3.151 10 0 DGAERO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000187356143 432659750 /nfs/dbraw/zinc/65/97/50/432659750.db2.gz XTEDIFSOQHQEQX-HRCADAONSA-N 1 0 313.363 3.496 10 0 DGAERO Cc1nc(CC(C)C)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1 ZINC000158835301 432661464 /nfs/dbraw/zinc/66/14/64/432661464.db2.gz RAMLLNFYTXSBGV-WFASDCNBSA-N 1 0 323.506 3.109 10 0 DGAERO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2CO)ccc1Br ZINC000219388583 432661633 /nfs/dbraw/zinc/66/16/33/432661633.db2.gz PJKXXPZYMFPHEU-HIFRSBDPSA-N 1 0 312.251 3.398 10 0 DGAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CO)ccc1Br ZINC000219388510 432661774 /nfs/dbraw/zinc/66/17/74/432661774.db2.gz PJKXXPZYMFPHEU-UKRRQHHQSA-N 1 0 312.251 3.398 10 0 DGAERO CCc1c(C)[nH+]c2ccccc2c1N1CCO[C@@]2(CCOC2)C1 ZINC000274394665 432662871 /nfs/dbraw/zinc/66/28/71/432662871.db2.gz LMSUYSFPVGYMCR-IBGZPJMESA-N 1 0 312.413 3.101 10 0 DGAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000178124664 432697057 /nfs/dbraw/zinc/69/70/57/432697057.db2.gz RFWJRXLYLXLPSC-UONOGXRCSA-N 1 0 309.417 3.326 10 0 DGAERO C[C@@H](O)C1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000225782414 432697719 /nfs/dbraw/zinc/69/77/19/432697719.db2.gz KMSNCNARXKBNFS-SNVBAGLBSA-N 1 0 316.214 3.181 10 0 DGAERO CCn1cc([C@@H](C)NC2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000178159353 432700364 /nfs/dbraw/zinc/70/03/64/432700364.db2.gz QGDCLHIWRBGHGX-OAHLLOKOSA-N 1 0 304.482 3.208 10 0 DGAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1C ZINC000178191164 432703928 /nfs/dbraw/zinc/70/39/28/432703928.db2.gz CTWWMQVEHDTTCI-IRXDYDNUSA-N 1 0 310.445 3.413 10 0 DGAERO COCCC[C@@H](C)[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000178231751 432709119 /nfs/dbraw/zinc/70/91/19/432709119.db2.gz LDOCRFAJALADQM-OAHLLOKOSA-N 1 0 306.450 3.069 10 0 DGAERO CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1nccs1 ZINC000178263323 432713306 /nfs/dbraw/zinc/71/33/06/432713306.db2.gz ZSAAQULXRHWXCF-DZGCQCFKSA-N 1 0 321.490 3.365 10 0 DGAERO CCSCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227870414 432714984 /nfs/dbraw/zinc/71/49/84/432714984.db2.gz OCWRKGXDQIEPGX-AWEZNQCLSA-N 1 0 316.511 3.366 10 0 DGAERO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1Cc3ccccc3[C@@H]1O)CCC2 ZINC000178358177 432726550 /nfs/dbraw/zinc/72/65/50/432726550.db2.gz CPTNFRWEKYTYGL-UNEWFSDZSA-N 1 0 314.454 3.331 10 0 DGAERO COc1cccc(CCC[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178294437 432717028 /nfs/dbraw/zinc/71/70/28/432717028.db2.gz QKMVWKIINQZAKU-SFHVURJKSA-N 1 0 313.445 3.297 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000178298349 432717372 /nfs/dbraw/zinc/71/73/72/432717372.db2.gz KMIRNZPRDULDIO-IBGZPJMESA-N 1 0 321.428 3.042 10 0 DGAERO [NH3+]Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000178340784 432722989 /nfs/dbraw/zinc/72/29/89/432722989.db2.gz WNVWTSQLECDQHX-HNNXBMFYSA-N 1 0 304.777 3.273 10 0 DGAERO C[C@@H](CO)CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000230158551 432724956 /nfs/dbraw/zinc/72/49/56/432724956.db2.gz KMMUHQIPABILGN-SNVBAGLBSA-N 1 0 304.203 3.086 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(Br)c(C)n1 ZINC000230080812 432725242 /nfs/dbraw/zinc/72/52/42/432725242.db2.gz XFXFEJNFSYTLFR-GFCCVEGCSA-N 1 0 312.255 3.073 10 0 DGAERO COC[C@@H](C)CNc1cc(C[NH+]2CCSCC2)ccc1C ZINC000187584557 432670905 /nfs/dbraw/zinc/67/09/05/432670905.db2.gz WZAGQQSZQFNNLD-AWEZNQCLSA-N 1 0 308.491 3.238 10 0 DGAERO CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccs1 ZINC000159097294 432671337 /nfs/dbraw/zinc/67/13/37/432671337.db2.gz OHNPVLORJJRPPQ-HOTGVXAUSA-N 1 0 316.470 3.488 10 0 DGAERO COC[C@@H](C)C[NH2+]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000187615494 432672121 /nfs/dbraw/zinc/67/21/21/432672121.db2.gz CXDHIECCVCYEGH-JKSUJKDBSA-N 1 0 310.507 3.393 10 0 DGAERO COc1cccc([C@@H]2CN(CCc3scnc3C)CCO2)c1 ZINC000177917587 432672527 /nfs/dbraw/zinc/67/25/27/432672527.db2.gz IUMIDNWTGQJGFB-INIZCTEOSA-N 1 0 318.442 3.076 10 0 DGAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCCOC1 ZINC000177931481 432675703 /nfs/dbraw/zinc/67/57/03/432675703.db2.gz AOIBUTNBHXIRQM-SMDDNHRTSA-N 1 0 303.431 3.343 10 0 DGAERO CCC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000187702367 432677991 /nfs/dbraw/zinc/67/79/91/432677991.db2.gz UXBJMDFHMWGLOP-OLZOCXBDSA-N 1 0 308.388 3.298 10 0 DGAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187745143 432681986 /nfs/dbraw/zinc/68/19/86/432681986.db2.gz KIVDIUROKVAYTH-NEPJUHHUSA-N 1 0 317.260 3.053 10 0 DGAERO CCN(Cc1nnc(C)n1C1CC1)[C@H](C)Cc1ccsc1 ZINC000187784477 432684349 /nfs/dbraw/zinc/68/43/49/432684349.db2.gz ZGBDMCURGZFEKX-GFCCVEGCSA-N 1 0 304.463 3.436 10 0 DGAERO COC[C@@H]([NH2+]Cc1ccccc1OC(C)C)C1CCOCC1 ZINC000187807858 432686670 /nfs/dbraw/zinc/68/66/70/432686670.db2.gz CLMIEUMTELKHDS-QGZVFWFLSA-N 1 0 307.434 3.005 10 0 DGAERO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)s1 ZINC000187854317 432689523 /nfs/dbraw/zinc/68/95/23/432689523.db2.gz YWSJWGVRULCMFS-WCQYABFASA-N 1 0 312.479 3.249 10 0 DGAERO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187856276 432689980 /nfs/dbraw/zinc/68/99/80/432689980.db2.gz QKIWADSRCYZOKZ-HUUCEWRRSA-N 1 0 304.434 3.259 10 0 DGAERO CC(C)(O)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178068224 432690730 /nfs/dbraw/zinc/69/07/30/432690730.db2.gz GVJZNYPNLVZFCC-LBPRGKRZSA-N 1 0 314.223 3.023 10 0 DGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000187909757 432691166 /nfs/dbraw/zinc/69/11/66/432691166.db2.gz PQJPDPBHKWOHBN-UGSOOPFHSA-N 1 0 318.392 3.464 10 0 DGAERO CC(C)(CCCc1ccccc1)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236589181 432750049 /nfs/dbraw/zinc/75/00/49/432750049.db2.gz SAMZZZABFSKKQR-SJORKVTESA-N 1 0 302.462 3.279 10 0 DGAERO CCC[C@@H](C(=O)N(CC)Cc1c[nH]c2ccccc12)[NH+](C)C ZINC000188883278 432750623 /nfs/dbraw/zinc/75/06/23/432750623.db2.gz QFSRKYSNDFFYKT-KRWDZBQOSA-N 1 0 301.434 3.247 10 0 DGAERO CCc1nnc(C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)n1C ZINC000178556290 432752614 /nfs/dbraw/zinc/75/26/14/432752614.db2.gz KSNYMKYQTPMHFT-KRWDZBQOSA-N 1 0 312.461 3.365 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2csc(Br)c2)[C@@H]2CCO[C@H]21 ZINC000266093918 432752999 /nfs/dbraw/zinc/75/29/99/432752999.db2.gz ZNCVQZDQWKBBAO-MVWJERBFSA-N 1 0 316.264 3.414 10 0 DGAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)CCCc1ccc(F)c(F)c1 ZINC000236656619 432753612 /nfs/dbraw/zinc/75/36/12/432753612.db2.gz JKCHYQQKDSATLQ-KRWDZBQOSA-N 1 0 312.404 3.167 10 0 DGAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000236672005 432755497 /nfs/dbraw/zinc/75/54/97/432755497.db2.gz XAZLYEYLNALCCT-LPHOPBHVSA-N 1 0 302.462 3.376 10 0 DGAERO CC(C)c1ccc(CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000236707878 432759193 /nfs/dbraw/zinc/75/91/93/432759193.db2.gz HTPPURYAINJCIP-DFNIBXOVSA-N 1 0 314.473 3.484 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cncs1 ZINC000178623372 432759729 /nfs/dbraw/zinc/75/97/29/432759729.db2.gz RPKUJIAMJZYFAH-UHFFFAOYSA-N 1 0 313.467 3.316 10 0 DGAERO C[C@H]1C(=O)NCCCN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000189073361 432761624 /nfs/dbraw/zinc/76/16/24/432761624.db2.gz LYSYRUXKWGUYNS-LBPRGKRZSA-N 1 0 318.804 3.310 10 0 DGAERO CN1C[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCC1=O ZINC000189229316 432772121 /nfs/dbraw/zinc/77/21/21/432772121.db2.gz AKGIJCJGYWXSDY-GFCCVEGCSA-N 1 0 320.742 3.069 10 0 DGAERO Cc1ccc(-c2c[nH]cc2C(=O)N2CCC([NH+](C)C)CC2)s1 ZINC000189371078 432780734 /nfs/dbraw/zinc/78/07/34/432780734.db2.gz RLSYJRWYYNFCLY-UHFFFAOYSA-N 1 0 317.458 3.218 10 0 DGAERO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc2ccccc2s1 ZINC000188493699 432729066 /nfs/dbraw/zinc/72/90/66/432729066.db2.gz FACQQQNFFKPKJP-JTQLQIEISA-N 1 0 300.383 3.444 10 0 DGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000231042126 432731101 /nfs/dbraw/zinc/73/11/01/432731101.db2.gz NLDMXTAJEREWIR-BXUZGUMPSA-N 1 0 316.214 3.229 10 0 DGAERO COC[C@@H](C)C[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000188570218 432732320 /nfs/dbraw/zinc/73/23/20/432732320.db2.gz YHDRRCBNPTWLJG-STQMWFEESA-N 1 0 316.367 3.156 10 0 DGAERO O=C(Cc1ccc(-c2ccccc2)cc1)N1CC[NH+]2CCC1CC2 ZINC000188615779 432735670 /nfs/dbraw/zinc/73/56/70/432735670.db2.gz ULQZHSMNTWCZBB-UHFFFAOYSA-N 1 0 320.436 3.203 10 0 DGAERO Cc1cccc(C2(C(=O)N3CC[NH+]4CCC3CC4)CCCC2)c1 ZINC000188656051 432737715 /nfs/dbraw/zinc/73/77/15/432737715.db2.gz YTOUAGPNGDDKAU-UHFFFAOYSA-N 1 0 312.457 3.113 10 0 DGAERO CN1CCC[C@H]1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000234308666 432740269 /nfs/dbraw/zinc/74/02/69/432740269.db2.gz KPFIXHSAEZWPNZ-BCLQGDPASA-N 1 0 323.278 3.379 10 0 DGAERO CC(C)[C@@H](C)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188772777 432745896 /nfs/dbraw/zinc/74/58/96/432745896.db2.gz VCGRXPDNTYPALR-CYBMUJFWSA-N 1 0 308.853 3.106 10 0 DGAERO COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccncc1OC ZINC000188785573 432746121 /nfs/dbraw/zinc/74/61/21/432746121.db2.gz JMQGPEFCXHZULI-KGLIPLIRSA-N 1 0 300.402 3.381 10 0 DGAERO C[NH+](C)C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000189762380 432817987 /nfs/dbraw/zinc/81/79/87/432817987.db2.gz WNPFGMVWDKQWKD-UHFFFAOYSA-N 1 0 318.314 3.011 10 0 DGAERO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCCc1ccccc1 ZINC000243526399 432819724 /nfs/dbraw/zinc/81/97/24/432819724.db2.gz OAUDVGBBPJPCII-UHFFFAOYSA-N 1 0 322.452 3.184 10 0 DGAERO C[C@]1(CNC(=O)[C@@H]2C[C@@H]2C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000162330918 432819862 /nfs/dbraw/zinc/81/98/62/432819862.db2.gz XISOBYNILSNSLK-QWFCFKBJSA-N 1 0 312.457 3.203 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000162348435 432821306 /nfs/dbraw/zinc/82/13/06/432821306.db2.gz OQVHTJASDOLWRL-ABAIWWIYSA-N 1 0 312.816 3.281 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000245412556 432827674 /nfs/dbraw/zinc/82/76/74/432827674.db2.gz ACCQXEUWEHFXGS-WBVHZDCISA-N 1 0 303.450 3.182 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000245415152 432827899 /nfs/dbraw/zinc/82/78/99/432827899.db2.gz FPKSXZIIGUUFSW-SJLPKXTDSA-N 1 0 317.477 3.052 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000245426975 432829166 /nfs/dbraw/zinc/82/91/66/432829166.db2.gz GWUOHDKATSTUOU-WMLDXEAASA-N 1 0 306.425 3.262 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000245436301 432830238 /nfs/dbraw/zinc/83/02/38/432830238.db2.gz UZDYIBCHPAUUMA-SNPRPXQTSA-N 1 0 322.399 3.011 10 0 DGAERO CCN1CCC[C@@H]([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245523498 432839430 /nfs/dbraw/zinc/83/94/30/432839430.db2.gz DGCNJAHQSZEAFW-IEBWSBKVSA-N 1 0 302.462 3.090 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245444810 432832163 /nfs/dbraw/zinc/83/21/63/432832163.db2.gz YIYQYTMLGWURAW-QFBILLFUSA-N 1 0 312.461 3.034 10 0 DGAERO CC[C@@H]1CN([C@H](C)c2ncc(C(C)(C)C)o2)CC[N@@H+]1CCOC ZINC000245457383 432832776 /nfs/dbraw/zinc/83/27/76/432832776.db2.gz CASCTVLKHUVODU-HUUCEWRRSA-N 1 0 323.481 3.076 10 0 DGAERO C[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)[C@H]1c1cccc(F)c1 ZINC000245458658 432833295 /nfs/dbraw/zinc/83/32/95/432833295.db2.gz CYGKAHSGDXUWNU-XOKHGSTOSA-N 1 0 309.425 3.385 10 0 DGAERO CO[C@H](C)c1nc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cs1 ZINC000245462551 432834279 /nfs/dbraw/zinc/83/42/79/432834279.db2.gz GNPCULPQWIMZPI-BMFZPTHFSA-N 1 0 323.506 3.298 10 0 DGAERO CSc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)o1 ZINC000245462252 432834431 /nfs/dbraw/zinc/83/44/31/432834431.db2.gz WVITXROCRYLOGN-OLZOCXBDSA-N 1 0 308.447 3.089 10 0 DGAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245470474 432835203 /nfs/dbraw/zinc/83/52/03/432835203.db2.gz MXQYRSQBNOSXFQ-MUQADHOPSA-N 1 0 317.477 3.303 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccccc1C ZINC000245471019 432835366 /nfs/dbraw/zinc/83/53/66/432835366.db2.gz NMRSKNKLWFPVCZ-CVEARBPZSA-N 1 0 303.450 3.182 10 0 DGAERO CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000245473381 432836087 /nfs/dbraw/zinc/83/60/87/432836087.db2.gz PXLRKQTUHKDZPN-ZTFGCOKTSA-N 1 0 309.425 3.242 10 0 DGAERO CC[C@@](C)(O)C[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000161709553 432792845 /nfs/dbraw/zinc/79/28/45/432792845.db2.gz FINWFFBWXIYIEF-LJQANCHMSA-N 1 0 314.429 3.427 10 0 DGAERO Cc1ccc2cc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)ccc2n1 ZINC000189512475 432795355 /nfs/dbraw/zinc/79/53/55/432795355.db2.gz SRCQBAILJLIGHM-KRWDZBQOSA-N 1 0 321.428 3.047 10 0 DGAERO CC(C)OC1CC([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000189549375 432797374 /nfs/dbraw/zinc/79/73/74/432797374.db2.gz MJHXBSWDCWYOGR-HSBZDZAISA-N 1 0 310.388 3.089 10 0 DGAERO COc1cnccc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000189571219 432800684 /nfs/dbraw/zinc/80/06/84/432800684.db2.gz QNIMXIAUTICYAT-KBPBESRZSA-N 1 0 313.401 3.158 10 0 DGAERO Cc1c(C(=O)NCC[C@H]2CCC[NH2+]C2)sc2cccc(F)c12 ZINC000237793708 432800695 /nfs/dbraw/zinc/80/06/95/432800695.db2.gz LZUZJBANRHWFFK-GFCCVEGCSA-N 1 0 320.433 3.468 10 0 DGAERO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N(CCC(F)(F)F)CC1CC1 ZINC000237836277 432802294 /nfs/dbraw/zinc/80/22/94/432802294.db2.gz FMLVQDWATXEQGE-RDBSUJKOSA-N 1 0 318.383 3.098 10 0 DGAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000237894297 432803639 /nfs/dbraw/zinc/80/36/39/432803639.db2.gz HGWABHMWPVWMKR-ZFWWWQNUSA-N 1 0 316.376 3.333 10 0 DGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000237931985 432804791 /nfs/dbraw/zinc/80/47/91/432804791.db2.gz BAFNFPYWAIXMBM-IAGOWNOFSA-N 1 0 300.446 3.128 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cccs2)C1 ZINC000237963794 432805513 /nfs/dbraw/zinc/80/55/13/432805513.db2.gz BGCWIUUCNQGYTB-XHSDSOJGSA-N 1 0 314.454 3.276 10 0 DGAERO CCC[C@H](C(=O)Nc1nc(-c2ccc(O)cc2)cs1)[NH+](C)C ZINC000162027245 432809385 /nfs/dbraw/zinc/80/93/85/432809385.db2.gz KORVYQIAUYVSKQ-CQSZACIVSA-N 1 0 319.430 3.185 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000245753623 432861476 /nfs/dbraw/zinc/86/14/76/432861476.db2.gz OLPAPZCCPAGLNH-XHDPSFHLSA-N 1 0 312.816 3.281 10 0 DGAERO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245760922 432862281 /nfs/dbraw/zinc/86/22/81/432862281.db2.gz PRZZUFJYEJIVCL-GXTWGEPZSA-N 1 0 311.857 3.198 10 0 DGAERO CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2nnc3n2CCCC3)C1(C)C ZINC000245861174 432866211 /nfs/dbraw/zinc/86/62/11/432866211.db2.gz HVOUPUWXKCSAAT-RBSFLKMASA-N 1 0 320.481 3.105 10 0 DGAERO C[C@@H](CCCc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245869876 432866520 /nfs/dbraw/zinc/86/65/20/432866520.db2.gz RESIMSDHILKJFC-HKUYNNGSSA-N 1 0 314.473 3.342 10 0 DGAERO Cc1cc(C)cc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000245885784 432867117 /nfs/dbraw/zinc/86/71/17/432867117.db2.gz AEMWALJQWIDYAO-AEFFLSMTSA-N 1 0 315.461 3.244 10 0 DGAERO COc1ccc([C@H]([NH2+]C[C@@H]2CCCN2C)c2ccccc2)cc1 ZINC000245875480 432867192 /nfs/dbraw/zinc/86/71/92/432867192.db2.gz AMYNAQYMQFQGKI-AZUAARDMSA-N 1 0 310.441 3.468 10 0 DGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C[C@H]1CCCc2ccccc21 ZINC000245915723 432869188 /nfs/dbraw/zinc/86/91/88/432869188.db2.gz NRTJTTPHCHXKTR-BFYDXBDKSA-N 1 0 300.446 3.048 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2OC)C12CCCC2 ZINC000245921033 432869862 /nfs/dbraw/zinc/86/98/62/432869862.db2.gz QTPQQJRQNNRUHW-KBAYOESNSA-N 1 0 319.445 3.056 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2sccc2C)[C@H](C)C1 ZINC000245925223 432869879 /nfs/dbraw/zinc/86/98/79/432869879.db2.gz HOVAGRNTFLRQJF-FPCVCCKLSA-N 1 0 320.502 3.349 10 0 DGAERO C[C@H](O)C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000245926489 432870429 /nfs/dbraw/zinc/87/04/29/432870429.db2.gz RMZVOKFCZLAFPS-IJCBKZNRSA-N 1 0 317.473 3.334 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000245937708 432871525 /nfs/dbraw/zinc/87/15/25/432871525.db2.gz SCGDHYLQINVPAA-VZJWBNGJSA-N 1 0 322.452 3.494 10 0 DGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000245968407 432873279 /nfs/dbraw/zinc/87/32/79/432873279.db2.gz ZAKYOWHQADGILW-ITKAJJHTSA-N 1 0 322.452 3.494 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000245970859 432873463 /nfs/dbraw/zinc/87/34/63/432873463.db2.gz VTNYASANPBNMIR-WCVJEAGWSA-N 1 0 318.486 3.245 10 0 DGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)ccc2F)[C@@H](C)C1 ZINC000245989303 432874219 /nfs/dbraw/zinc/87/42/19/432874219.db2.gz IAEUYIUAIJOMTM-XJKSGUPXSA-N 1 0 307.413 3.328 10 0 DGAERO CCOc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246028774 432874729 /nfs/dbraw/zinc/87/47/29/432874729.db2.gz NHVQIPNEMHYRAX-HOCLYGCPSA-N 1 0 319.449 3.279 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(Cl)cc1C ZINC000246015998 432874861 /nfs/dbraw/zinc/87/48/61/432874861.db2.gz JBWQCAZOAGPXCH-OLZOCXBDSA-N 1 0 322.840 3.134 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000277947883 432879266 /nfs/dbraw/zinc/87/92/66/432879266.db2.gz RHPFRZAYOWCGIH-TVQRCGJNSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@H](C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21)CS(C)(=O)=O ZINC000163115976 432843594 /nfs/dbraw/zinc/84/35/94/432843594.db2.gz UGEMGWCOIWHENY-RDTXWAMCSA-N 1 0 321.486 3.209 10 0 DGAERO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc2c1OCCO2 ZINC000245559301 432845245 /nfs/dbraw/zinc/84/52/45/432845245.db2.gz LUJBGKBPOAXTMT-HUUCEWRRSA-N 1 0 303.402 3.231 10 0 DGAERO CCC(CC)n1nc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1C ZINC000245599146 432848674 /nfs/dbraw/zinc/84/86/74/432848674.db2.gz DVRHCKHLXHQSDK-DYVFJYSZSA-N 1 0 320.481 3.011 10 0 DGAERO CCCc1cnc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)s1 ZINC000245604715 432849449 /nfs/dbraw/zinc/84/94/49/432849449.db2.gz HKUFEVAERPMDSR-OLZOCXBDSA-N 1 0 322.478 3.186 10 0 DGAERO COC[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000245620209 432850703 /nfs/dbraw/zinc/85/07/03/432850703.db2.gz WLCBCDAHBRYUFL-ULQDDVLXSA-N 1 0 310.869 3.346 10 0 DGAERO CN(CC1CCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245666546 432854022 /nfs/dbraw/zinc/85/40/22/432854022.db2.gz RDNJMPFMUGOELQ-ZWKOTPCHSA-N 1 0 315.461 3.263 10 0 DGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245659184 432854571 /nfs/dbraw/zinc/85/45/71/432854571.db2.gz CXEBSCUHJPELKX-KBAYOESNSA-N 1 0 317.477 3.365 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(-c2ccccn2)c1 ZINC000245683421 432855641 /nfs/dbraw/zinc/85/56/41/432855641.db2.gz ACGXRGQMZSMVAT-APWZRJJASA-N 1 0 307.441 3.417 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(SC)c2)[C@@H](C)C1 ZINC000245701173 432856684 /nfs/dbraw/zinc/85/66/84/432856684.db2.gz CNXCCWQJJCGLHK-WFASDCNBSA-N 1 0 324.465 3.350 10 0 DGAERO CC(=O)Nc1cccc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000245725202 432859445 /nfs/dbraw/zinc/85/94/45/432859445.db2.gz RYUMRPJCNBBWKB-FQEVSTJZSA-N 1 0 323.440 3.134 10 0 DGAERO c1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000279849499 432996059 /nfs/dbraw/zinc/99/60/59/432996059.db2.gz OXHSMRSGHDYYKM-GOSISDBHSA-N 1 0 324.472 3.180 10 0 DGAERO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000349812849 433014218 /nfs/dbraw/zinc/01/42/18/433014218.db2.gz MPRJUYZPDZOYGX-QUCGXOGASA-N 1 0 302.187 3.005 10 0 DGAERO c1ccc(OC2CC2)c(C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000298019575 433040026 /nfs/dbraw/zinc/04/00/26/433040026.db2.gz BBKAFNINVXGIIW-UHFFFAOYSA-N 1 0 309.413 3.397 10 0 DGAERO c1cn(-c2csc(C[NH2+]CCc3ccc4c[nH]nc4c3)c2)cn1 ZINC000341406288 433049310 /nfs/dbraw/zinc/04/93/10/433049310.db2.gz NZJXUHFGJNBZTQ-UHFFFAOYSA-N 1 0 323.425 3.142 10 0 DGAERO Cc1oc2ccc(NC(=O)N3CCC4(CC[NH2+]4)CC3)cc2c1C ZINC000333341992 433050153 /nfs/dbraw/zinc/05/01/53/433050153.db2.gz YHJUBPIMUPOBNS-UHFFFAOYSA-N 1 0 313.401 3.409 10 0 DGAERO c1ccc(CN2CC[C@@H]([N@@H+]3CCOC[C@H](C4CCC4)C3)C2)cc1 ZINC000298149847 433051825 /nfs/dbraw/zinc/05/18/25/433051825.db2.gz RLNHDXXUHVSDBI-WOJBJXKFSA-N 1 0 314.473 3.009 10 0 DGAERO Cc1ccnc(C)c1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333272825 433046536 /nfs/dbraw/zinc/04/65/36/433046536.db2.gz GIZBOMGSLWXZDF-HOTGVXAUSA-N 1 0 316.449 3.084 10 0 DGAERO Cc1oc2ccc(NC(=O)N[C@@H]3CCCC[NH2+]C3)cc2c1C ZINC000333406095 433053844 /nfs/dbraw/zinc/05/38/44/433053844.db2.gz ZGOFRPFQXPDDRV-CQSZACIVSA-N 1 0 301.390 3.313 10 0 DGAERO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(Cl)s1 ZINC000176510705 289320208 /nfs/dbraw/zinc/32/02/08/289320208.db2.gz JYXUJLRCHMRSAR-SDDRHHMPSA-N 1 0 312.866 3.200 10 0 DGAERO CO[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000373054519 433079747 /nfs/dbraw/zinc/07/97/47/433079747.db2.gz HPBMZYXTFYRAAQ-YRPNKDGESA-N 1 0 316.489 3.443 10 0 DGAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000157149685 292740583 /nfs/dbraw/zinc/74/05/83/292740583.db2.gz ZDIMDCQMLLXZFM-CAOSSQGBSA-N 1 0 305.466 3.219 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)N1CCCC12CCC2)c1ccccc1 ZINC000373108058 433090641 /nfs/dbraw/zinc/09/06/41/433090641.db2.gz ZNWNJMQOMDDKAD-INIZCTEOSA-N 1 0 301.434 3.017 10 0 DGAERO C[C@H]1CC(C[NH2+]Cc2ccc(Br)cn2)C[C@H](C)O1 ZINC000341493865 433093376 /nfs/dbraw/zinc/09/33/76/433093376.db2.gz XCQWCROIFGBJPJ-QWRGUYRKSA-N 1 0 313.239 3.137 10 0 DGAERO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(Cl)cc(Cl)c1 ZINC000453387145 433144455 /nfs/dbraw/zinc/14/44/55/433144455.db2.gz AXUFLEOBKGKWEU-OTYXRUKQSA-N 1 0 301.217 3.313 10 0 DGAERO c1sc2ccccc2c1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000373162969 433107607 /nfs/dbraw/zinc/10/76/07/433107607.db2.gz FRJWZKFVOJRFAB-PBHICJAKSA-N 1 0 303.427 3.329 10 0 DGAERO CCO[C@@H](C[NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000446837366 433116178 /nfs/dbraw/zinc/11/61/78/433116178.db2.gz ZHPHQFFREWOIIR-IBGZPJMESA-N 1 0 322.412 3.135 10 0 DGAERO C[N@H+](C[C@H](O)COCc1ccccc1)C1CCC(C)(C)CC1 ZINC000336685898 433180173 /nfs/dbraw/zinc/18/01/73/433180173.db2.gz SRVITZFSIUYTIT-SFHVURJKSA-N 1 0 305.462 3.465 10 0 DGAERO CC1(C)CC[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)O1 ZINC000336704834 433182217 /nfs/dbraw/zinc/18/22/17/433182217.db2.gz HKYJFJQSRCPKMU-ROUUACIJSA-N 1 0 302.462 3.198 10 0 DGAERO COCC[C@H](c1ccccc1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000361523916 433224408 /nfs/dbraw/zinc/22/44/08/433224408.db2.gz HHSJASZAYIMXOI-MJGOQNOKSA-N 1 0 319.445 3.034 10 0 DGAERO c1[nH]c(-c2ccccc2)nc1CN1CCOC[C@H]1CC1CCC1 ZINC000354732518 433242483 /nfs/dbraw/zinc/24/24/83/433242483.db2.gz NQBXJYYZTKIMLV-GOSISDBHSA-N 1 0 311.429 3.468 10 0 DGAERO OCC[C@H]1CSCC[N@@H+]1CCCc1c(F)cccc1Cl ZINC000447728790 433267091 /nfs/dbraw/zinc/26/70/91/433267091.db2.gz FMYIODHXNNFULA-LBPRGKRZSA-N 1 0 317.857 3.212 10 0 DGAERO c1cc(C[NH2+]CCOCc2ccccc2)n(-c2ccccc2)n1 ZINC000447926399 433324821 /nfs/dbraw/zinc/32/48/21/433324821.db2.gz AYSICMLGRRQMEM-UHFFFAOYSA-N 1 0 307.397 3.179 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCNC(=O)c1ccco1 ZINC000338155778 433278386 /nfs/dbraw/zinc/27/83/86/433278386.db2.gz YNILLCWHILAVAJ-ACCUITESSA-N 1 0 318.804 3.356 10 0 DGAERO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000374801697 433280449 /nfs/dbraw/zinc/28/04/49/433280449.db2.gz SSCCJWUOJYZCTH-OAHLLOKOSA-N 1 0 316.449 3.128 10 0 DGAERO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCCF)C1)C1CCCC1 ZINC000374816789 433284668 /nfs/dbraw/zinc/28/46/68/433284668.db2.gz GFGOIDBZKQZLHK-CQSZACIVSA-N 1 0 322.428 3.077 10 0 DGAERO CCC[NH+]1CCC(CNC(=O)N[C@H](CC)c2nccs2)CC1 ZINC000158296358 292765907 /nfs/dbraw/zinc/76/59/07/292765907.db2.gz MGXLQOAOYJBBME-CQSZACIVSA-N 1 0 324.494 3.015 10 0 DGAERO c1c(C[NH+]2CCC(COc3ccccn3)CC2)nc2ccccn12 ZINC000361768023 433382441 /nfs/dbraw/zinc/38/24/41/433382441.db2.gz OHJDQSKVQKQYNP-UHFFFAOYSA-N 1 0 322.412 3.020 10 0 DGAERO C[C@@H]1CCC[C@@](CNc2ccc(S(C)(=O)=O)cc2)([NH+](C)C)C1 ZINC000301107072 433416432 /nfs/dbraw/zinc/41/64/32/433416432.db2.gz UOWOCAJVLNDVHZ-RHSMWYFYSA-N 1 0 324.490 3.013 10 0 DGAERO C[C@H]1CCC[C@](CNc2ccc(S(C)(=O)=O)cc2)([NH+](C)C)C1 ZINC000301107074 433416673 /nfs/dbraw/zinc/41/66/73/433416673.db2.gz UOWOCAJVLNDVHZ-YOEHRIQHSA-N 1 0 324.490 3.013 10 0 DGAERO Cc1csc([C@H](C)NC(=O)NCCCCC[NH+]2CCCC2)n1 ZINC000454426301 433423010 /nfs/dbraw/zinc/42/30/10/433423010.db2.gz GIUCRXWWHMHAKB-AWEZNQCLSA-N 1 0 324.494 3.078 10 0 DGAERO C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1ccncc1 ZINC000190739342 289959386 /nfs/dbraw/zinc/95/93/86/289959386.db2.gz CERWJLTWEUEELT-AWEZNQCLSA-N 1 0 315.848 3.444 10 0 DGAERO CCOc1ccccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375408121 433451747 /nfs/dbraw/zinc/45/17/47/433451747.db2.gz BFABMUQWXGZDSR-OAHLLOKOSA-N 1 0 313.401 3.335 10 0 DGAERO CCOc1cccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375400577 433453833 /nfs/dbraw/zinc/45/38/33/433453833.db2.gz FWNFUEJEFFTPEY-OAHLLOKOSA-N 1 0 313.401 3.335 10 0 DGAERO c1ccc2nc(C[N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)ccc2c1 ZINC000375407947 433454159 /nfs/dbraw/zinc/45/41/59/433454159.db2.gz ZKMTXXDYMRRIFN-OAHLLOKOSA-N 1 0 320.396 3.485 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1cnccn1 ZINC000090916605 290016453 /nfs/dbraw/zinc/01/64/53/290016453.db2.gz GNYOIYUGHSELTG-XGWLTEMNSA-N 1 0 316.836 3.226 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)C2CCCC2)o1 ZINC000159267891 292788576 /nfs/dbraw/zinc/78/85/76/292788576.db2.gz XGXZTDDFDIKBAT-CQSZACIVSA-N 1 0 307.438 3.165 10 0 DGAERO C[C@H](c1ccc[nH]1)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100248564 290243581 /nfs/dbraw/zinc/24/35/81/290243581.db2.gz WRHTYBYRDPHKIU-KGLIPLIRSA-N 1 0 307.438 3.312 10 0 DGAERO CC/C=C\CC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000342193647 433529886 /nfs/dbraw/zinc/52/98/86/433529886.db2.gz BORLBMWKPXCGOV-AWFCHZOYSA-N 1 0 308.491 3.410 10 0 DGAERO c1ccc(COc2cccc(C[N@@H+]3CC[C@@]34CCOC4)c2)nc1 ZINC000421391371 433536936 /nfs/dbraw/zinc/53/69/36/433536936.db2.gz ALSYAOIBWJFRPD-IBGZPJMESA-N 1 0 310.397 3.025 10 0 DGAERO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)Cc1ccncc1 ZINC000414358339 433566407 /nfs/dbraw/zinc/56/64/07/433566407.db2.gz BTSAZSGYJPLHNN-CQSZACIVSA-N 1 0 324.403 3.436 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]CCCOc1cccc3cccnc31)CCC2 ZINC000375805300 433569882 /nfs/dbraw/zinc/56/98/82/433569882.db2.gz LOXIEZBQDBWKMY-MRXNPFEDSA-N 1 0 322.412 3.394 10 0 DGAERO c1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421402992 433546983 /nfs/dbraw/zinc/54/69/83/433546983.db2.gz WMOQSJKZPRVGGX-LJQANCHMSA-N 1 0 310.397 3.025 10 0 DGAERO CCC[C@H](C(=O)NCC1(c2cccc(Cl)c2)CC1)[NH+](C)C ZINC000162243409 292850061 /nfs/dbraw/zinc/85/00/61/292850061.db2.gz WIBBRTHFANLHGS-OAHLLOKOSA-N 1 0 308.853 3.218 10 0 DGAERO c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)s2)cc1 ZINC000362314248 433641198 /nfs/dbraw/zinc/64/11/98/433641198.db2.gz FKHSSIFCWZJFIQ-LSDHHAIUSA-N 1 0 315.442 3.206 10 0 DGAERO FC(F)Cn1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cn1 ZINC000351660773 433645612 /nfs/dbraw/zinc/64/56/12/433645612.db2.gz GEVOKIYFASRMTA-OAHLLOKOSA-N 1 0 313.392 3.072 10 0 DGAERO c1nnn(Cc2ccccc2)c1C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000414485170 433648216 /nfs/dbraw/zinc/64/82/16/433648216.db2.gz PBUKGBUOMWNGRD-PKOBYXMFSA-N 1 0 310.445 3.242 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000362284521 433619002 /nfs/dbraw/zinc/61/90/02/433619002.db2.gz ZTIJXFCTPWWUJS-CZUORRHYSA-N 1 0 324.852 3.098 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000362284520 433620724 /nfs/dbraw/zinc/62/07/24/433620724.db2.gz ZTIJXFCTPWWUJS-CJNGLKHVSA-N 1 0 324.852 3.098 10 0 DGAERO c1nc([C@@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731153 433625982 /nfs/dbraw/zinc/62/59/82/433625982.db2.gz MGFQXEZVBOCIRX-WBVHZDCISA-N 1 0 301.434 3.092 10 0 DGAERO Cc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000376058396 433655917 /nfs/dbraw/zinc/65/59/17/433655917.db2.gz PPZNUXSRBJYHRB-KXBFYZLASA-N 1 0 313.445 3.026 10 0 DGAERO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCC23CCC3)C1 ZINC000376094077 433664306 /nfs/dbraw/zinc/66/43/06/433664306.db2.gz KFMZPVVDFJYFED-INIZCTEOSA-N 1 0 307.482 3.227 10 0 DGAERO Cc1cc(N[C@@H]2CCN(C(=O)C(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000301706533 433686678 /nfs/dbraw/zinc/68/66/78/433686678.db2.gz ILJPYBIDFXZOMJ-CQSZACIVSA-N 1 0 315.392 3.351 10 0 DGAERO COc1cc(C)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000449031709 433690923 /nfs/dbraw/zinc/69/09/23/433690923.db2.gz VWEIQFLDPRCISG-HIFRSBDPSA-N 1 0 317.351 3.281 10 0 DGAERO C[NH+]1CCC([C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2)CC1 ZINC000366920499 293004761 /nfs/dbraw/zinc/00/47/61/293004761.db2.gz GCCWZADXUFMEBY-OAHLLOKOSA-N 1 0 314.420 3.002 10 0 DGAERO c1[nH]c2ccccc2c1C[C@@H]1COCC[N@H+]1C[C@H]1CCSC1 ZINC000367031238 293014591 /nfs/dbraw/zinc/01/45/91/293014591.db2.gz TWZAIVSCNRZDRB-GDBMZVCRSA-N 1 0 316.470 3.164 10 0 DGAERO c1[nH]c2ccccc2c1C[C@@H]1COCC[N@H+]1C[C@@H]1CCSC1 ZINC000367031239 293014746 /nfs/dbraw/zinc/01/47/46/293014746.db2.gz TWZAIVSCNRZDRB-GOEBONIOSA-N 1 0 316.470 3.164 10 0 DGAERO CCC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccnc1 ZINC000367243604 293042870 /nfs/dbraw/zinc/04/28/70/293042870.db2.gz AUEWLRAVISUSJA-FGTMMUONSA-N 1 0 318.461 3.080 10 0 DGAERO c1c2cccnc2oc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000449049820 433708503 /nfs/dbraw/zinc/70/85/03/433708503.db2.gz SFKTYIFNTGYDME-YJBOKZPZSA-N 1 0 311.429 3.277 10 0 DGAERO Cc1ccncc1C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000373002363 293249562 /nfs/dbraw/zinc/24/95/62/293249562.db2.gz SHWHJHYABPJGSY-AWEZNQCLSA-N 1 0 317.383 3.284 10 0 DGAERO CC1(C)[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)[C@@H]2CCCO[C@H]21 ZINC000374157971 293359581 /nfs/dbraw/zinc/35/95/81/293359581.db2.gz IYEAJFIPVNPKBT-USXIJHARSA-N 1 0 312.413 3.234 10 0 DGAERO c1c2ccccc2sc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000374267016 293374349 /nfs/dbraw/zinc/37/43/49/293374349.db2.gz CDFXXPCBCNCFJO-YOEHRIQHSA-N 1 0 303.427 3.329 10 0 DGAERO c1cc2c(cccc2CC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)[nH]1 ZINC000374301173 293380964 /nfs/dbraw/zinc/38/09/64/293380964.db2.gz GUTTWLSZQCUOAK-UHFFFAOYSA-N 1 0 317.396 3.285 10 0 DGAERO CSCC[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000374419108 293398035 /nfs/dbraw/zinc/39/80/35/293398035.db2.gz GMNCSMINOOHJFW-UHFFFAOYSA-N 1 0 314.495 3.213 10 0 DGAERO Cc1nc2ccccc2nc1N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000301774976 433717266 /nfs/dbraw/zinc/71/72/66/433717266.db2.gz KXCRZCIYSJNEFA-AWEZNQCLSA-N 1 0 310.445 3.391 10 0 DGAERO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000376353422 433718277 /nfs/dbraw/zinc/71/82/77/433718277.db2.gz QOQAXLWDXLAGQG-HXUWFJFHSA-N 1 0 319.408 3.378 10 0 DGAERO c1csc(-c2nc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)co2)c1 ZINC000362446238 433719055 /nfs/dbraw/zinc/71/90/55/433719055.db2.gz HFYRAEHFKZDZMB-GXTWGEPZSA-N 1 0 304.415 3.404 10 0 DGAERO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cn1)N(C)C(=O)OC(C)(C)C ZINC000283406717 433719202 /nfs/dbraw/zinc/71/92/02/433719202.db2.gz QRSFCCCPSNQYEW-NEPJUHHUSA-N 1 0 311.401 3.127 10 0 DGAERO Cc1nc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC000283460059 433727461 /nfs/dbraw/zinc/72/74/61/433727461.db2.gz VIFMMNMLGSXJMC-QWRGUYRKSA-N 1 0 313.467 3.358 10 0 DGAERO Cc1nc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC000283460061 433728425 /nfs/dbraw/zinc/72/84/25/433728425.db2.gz VIFMMNMLGSXJMC-WDEREUQCSA-N 1 0 313.467 3.358 10 0 DGAERO CC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000376491474 433749751 /nfs/dbraw/zinc/74/97/51/433749751.db2.gz LQILLTCPEXMDAB-HZPDHXFCSA-N 1 0 324.465 3.077 10 0 DGAERO c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCOC3)C1)OCCCCO2 ZINC000449684072 433764716 /nfs/dbraw/zinc/76/47/16/433764716.db2.gz QKNSENRUZPMLNC-LJQANCHMSA-N 1 0 317.429 3.241 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)C1)CC2 ZINC000376627253 433790922 /nfs/dbraw/zinc/79/09/22/433790922.db2.gz NGBMQAJLEQHUMG-RDBSUJKOSA-N 1 0 303.450 3.333 10 0 DGAERO C[NH+]1CCC(CC(=O)N(C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000362738073 433841530 /nfs/dbraw/zinc/84/15/30/433841530.db2.gz SJZTUTAQFKCHCC-LJQANCHMSA-N 1 0 312.457 3.397 10 0 DGAERO c1ccc([C@H]2CCC[C@@H]2[NH2+]CCCNCc2cccnc2)cc1 ZINC000414876301 433895336 /nfs/dbraw/zinc/89/53/36/433895336.db2.gz KMIPONCHDNXSAV-UXHICEINSA-N 1 0 309.457 3.487 10 0 DGAERO CC(C)CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)C1CC1 ZINC000377409154 293657528 /nfs/dbraw/zinc/65/75/28/293657528.db2.gz AWUFSJQPOCNHBK-BZSNNMDCSA-N 1 0 309.494 3.359 10 0 DGAERO CC(C)CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)C1CC1 ZINC000377409157 293657687 /nfs/dbraw/zinc/65/76/87/293657687.db2.gz AWUFSJQPOCNHBK-SQNIBIBYSA-N 1 0 309.494 3.359 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+]C2CCC3(CC3)CC2)n1 ZINC000362914818 433909183 /nfs/dbraw/zinc/90/91/83/433909183.db2.gz WHEDZPNNIVLFIP-UHFFFAOYSA-N 1 0 308.447 3.175 10 0 DGAERO c1sc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc1[C@H]1Cc2ccccc21 ZINC000357252039 433928293 /nfs/dbraw/zinc/92/82/93/433928293.db2.gz FRTWECIDODTNRT-QRTARXTBSA-N 1 0 312.438 3.367 10 0 DGAERO CC(C)N(CC[NH+](C)C)c1nn2cc(C3CCCC3)nc2s1 ZINC000302840084 433882612 /nfs/dbraw/zinc/88/26/12/433882612.db2.gz ZXWPLBRQCIMFMM-UHFFFAOYSA-N 1 0 321.494 3.225 10 0 DGAERO Brc1cncc([C@@H]([NH2+][C@@H]2CCCOC2)C2CC2)c1 ZINC000284320102 433885843 /nfs/dbraw/zinc/88/58/43/433885843.db2.gz AZODIIAUYZBVGO-KGLIPLIRSA-N 1 0 311.223 3.064 10 0 DGAERO CCSc1cccnc1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000449952985 433889579 /nfs/dbraw/zinc/88/95/79/433889579.db2.gz XNHNGEOCXHHTDW-UHFFFAOYSA-N 1 0 321.490 3.045 10 0 DGAERO c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](C[C@@H]4CCC=CO4)C3)n2)cc1 ZINC000377672002 433947095 /nfs/dbraw/zinc/94/70/95/433947095.db2.gz AKNBHDNORPYSBV-IRXDYDNUSA-N 1 0 324.428 3.344 10 0 DGAERO c1nc2ccccn2c1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000357344881 433965191 /nfs/dbraw/zinc/96/51/91/433965191.db2.gz MIDNMZANCQLNAF-QFBILLFUSA-N 1 0 307.397 3.202 10 0 DGAERO CC(C)c1nc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)no1 ZINC000363183964 433989646 /nfs/dbraw/zinc/98/96/46/433989646.db2.gz KHRQNJLVCIFMDT-INIZCTEOSA-N 1 0 320.481 3.281 10 0 DGAERO C[C@@H]1C[NH2+]CC[C@H]1NCc1cc(Cl)ccc1Br ZINC000414952702 433936866 /nfs/dbraw/zinc/93/68/66/433936866.db2.gz IRDYJQAJBRXDSJ-NOZJJQNGSA-N 1 0 317.658 3.190 10 0 DGAERO Cn1cc(Br)c(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000393352036 293830572 /nfs/dbraw/zinc/83/05/72/293830572.db2.gz YIKGFELFFMGCHF-NEPJUHHUSA-N 1 0 312.255 3.241 10 0 DGAERO CN(C)C(=[NH2+])NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000363388707 434037786 /nfs/dbraw/zinc/03/77/86/434037786.db2.gz YWGUGWVMPIZRNT-UHFFFAOYSA-N 1 0 309.413 3.265 10 0 DGAERO CCSCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400726827 293865584 /nfs/dbraw/zinc/86/55/84/293865584.db2.gz PPDZKCHWDRPOFA-KGLIPLIRSA-N 1 0 316.511 3.365 10 0 DGAERO C[C@H]([NH2+]CCc1ccco1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400793045 293866453 /nfs/dbraw/zinc/86/64/53/293866453.db2.gz SIKRCQATILVLMD-UONOGXRCSA-N 1 0 308.422 3.057 10 0 DGAERO C[C@@H]([NH2+]CCc1ccco1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400793049 293866590 /nfs/dbraw/zinc/86/65/90/293866590.db2.gz SIKRCQATILVLMD-ZIAGYGMSSA-N 1 0 308.422 3.057 10 0 DGAERO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cccc(-c3ccccn3)c1)CC2 ZINC000377781275 433994559 /nfs/dbraw/zinc/99/45/59/433994559.db2.gz OZQVKPLLPQFFHS-INIZCTEOSA-N 1 0 304.397 3.119 10 0 DGAERO c1ccc([C@@H]2CC[C@H](C[NH2+]C3CCC4(CC3)OCCO4)O2)cc1 ZINC000377796539 434001616 /nfs/dbraw/zinc/00/16/16/434001616.db2.gz PREUNFOOUZASOU-MSOLQXFVSA-N 1 0 317.429 3.182 10 0 DGAERO Fc1ccc(Br)c(CN[C@H]2CCn3ccnc32)c1 ZINC000294297007 434075658 /nfs/dbraw/zinc/07/56/58/434075658.db2.gz ZOAMRYYXASSGQF-LBPRGKRZSA-N 1 0 310.170 3.019 10 0 DGAERO c1ccc(OCCCCN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000357560148 434075780 /nfs/dbraw/zinc/07/57/80/434075780.db2.gz QZSHLUOWNZEACL-GOSISDBHSA-N 1 0 302.462 3.406 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000340355096 434082396 /nfs/dbraw/zinc/08/23/96/434082396.db2.gz FHTXFPIMYOJJNV-VQIMIIECSA-N 1 0 304.478 3.444 10 0 DGAERO CCOc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000451460852 293954064 /nfs/dbraw/zinc/95/40/64/293954064.db2.gz AGCHDRFWUAIMLO-YJBOKZPZSA-N 1 0 319.445 3.137 10 0 DGAERO Cc1cccnc1[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)C(C)C ZINC000459376691 293967927 /nfs/dbraw/zinc/96/79/27/293967927.db2.gz LPGHQNBSRWCXMI-MRXNPFEDSA-N 1 0 312.417 3.250 10 0 DGAERO CC(C)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000450330507 434106170 /nfs/dbraw/zinc/10/61/70/434106170.db2.gz JBIODEUBNPUHGZ-LSDHHAIUSA-N 1 0 306.454 3.284 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c(Br)c1 ZINC000310749235 434111475 /nfs/dbraw/zinc/11/14/75/434111475.db2.gz UKRCMZZUJLXXAS-GXTWGEPZSA-N 1 0 312.251 3.398 10 0 DGAERO CC1(C)COC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000313027749 434119163 /nfs/dbraw/zinc/11/91/63/434119163.db2.gz GQXRGIATHRKIFA-GFCCVEGCSA-N 1 0 302.187 3.103 10 0 DGAERO c1nc(CCN2CCC[C@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000450350011 434119753 /nfs/dbraw/zinc/11/97/53/434119753.db2.gz QCUMAQNOGYINPJ-MRXNPFEDSA-N 1 0 307.507 3.274 10 0 DGAERO c1nc(CCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000450350010 434119775 /nfs/dbraw/zinc/11/97/75/434119775.db2.gz QCUMAQNOGYINPJ-INIZCTEOSA-N 1 0 307.507 3.274 10 0 DGAERO COCC[N@H+](CC[C@H](C)O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000450319424 434101206 /nfs/dbraw/zinc/10/12/06/434101206.db2.gz YOROQJCUDWDKBN-QWHCGFSZSA-N 1 0 319.367 3.486 10 0 DGAERO Cn1cnc(CC[NH2+][C@@H]2CCc3cc(Br)ccc32)c1 ZINC000313265470 434125483 /nfs/dbraw/zinc/12/54/83/434125483.db2.gz PAUKBQZMTBIPIU-OAHLLOKOSA-N 1 0 320.234 3.002 10 0 DGAERO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000499646169 294089559 /nfs/dbraw/zinc/08/95/59/294089559.db2.gz ZJVMAIXKPRMFBE-NZSAHSFTSA-N 1 0 302.462 3.023 10 0 DGAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCc1scnc1C)CC2 ZINC000378270350 434125803 /nfs/dbraw/zinc/12/58/03/434125803.db2.gz ZXBSVROSXVVAPK-UHFFFAOYSA-N 1 0 314.454 3.297 10 0 DGAERO CC[N@H+](CC(=O)NC1(c2ccccc2)CCCCC1)C1CC1 ZINC000505207444 294230943 /nfs/dbraw/zinc/23/09/43/294230943.db2.gz PVNCQPDVFOMYBC-UHFFFAOYSA-N 1 0 300.446 3.447 10 0 DGAERO C[NH+]1CCN(Cc2cccc(N[C@H]3CC[C@@H]3C3CCC3)c2)CC1 ZINC000510684353 294389142 /nfs/dbraw/zinc/38/91/42/294389142.db2.gz PVSOZGOFAFEWRJ-UXHICEINSA-N 1 0 313.489 3.425 10 0 DGAERO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC000511031251 294399424 /nfs/dbraw/zinc/39/94/24/294399424.db2.gz PMSQXGPDRFNJED-NSISKUIASA-N 1 0 316.489 3.353 10 0 DGAERO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC2(C1)CCCCC2 ZINC000357723630 434148941 /nfs/dbraw/zinc/14/89/41/434148941.db2.gz AIXNMALQVNOVDY-OAHLLOKOSA-N 1 0 318.436 3.487 10 0 DGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCNC(=O)C(C)(C)C ZINC000513510403 294475340 /nfs/dbraw/zinc/47/53/40/294475340.db2.gz CDNSNFJYMMWOEK-ACCUITESSA-N 1 0 308.853 3.495 10 0 DGAERO CC(=O)CCCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000357813383 434197092 /nfs/dbraw/zinc/19/70/92/434197092.db2.gz AMZHWRCDXGRRGO-UHFFFAOYSA-N 1 0 316.445 3.048 10 0 DGAERO c1cnn(CCCCC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000378501103 434206140 /nfs/dbraw/zinc/20/61/40/434206140.db2.gz MCHPUBAMOGVPAJ-MOPGFXCFSA-N 1 0 313.445 3.421 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000379198404 434252658 /nfs/dbraw/zinc/25/26/58/434252658.db2.gz XLWNHKSPVQFTTF-UHOSZYNNSA-N 1 0 302.462 3.198 10 0 DGAERO CC(C)C1([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000379427445 434255364 /nfs/dbraw/zinc/25/53/64/434255364.db2.gz FCKUTXAGSZUNKO-UHFFFAOYSA-N 1 0 311.223 3.166 10 0 DGAERO CC(C)(C)[C@H](O)C[NH2+]Cc1cccc(F)c1Br ZINC000324590381 434274513 /nfs/dbraw/zinc/27/45/13/434274513.db2.gz DNFGAUITIQWYRZ-LLVKDONJSA-N 1 0 304.203 3.085 10 0 DGAERO COC(=O)c1ccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)[nH]1 ZINC000437237012 434236480 /nfs/dbraw/zinc/23/64/80/434236480.db2.gz BFJWHWFNOKXLDT-NNUKFRKNSA-N 1 0 318.804 3.491 10 0 DGAERO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1)[NH+](C)C ZINC000437275199 434239660 /nfs/dbraw/zinc/23/96/60/434239660.db2.gz PAYUPDDKTFANHG-IPMKNSEASA-N 1 0 310.441 3.398 10 0 DGAERO Cc1sc2nc(C)nc(N[C@@H](CC[NH3+])C(F)F)c2c1C ZINC000383286896 434281160 /nfs/dbraw/zinc/28/11/60/434281160.db2.gz KRXYFAZHCIJTAS-VIFPVBQESA-N 1 0 300.378 3.011 10 0 DGAERO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)C1CCCC1 ZINC000382786032 434281999 /nfs/dbraw/zinc/28/19/99/434281999.db2.gz KULJLRICHQTYNA-GFCCVEGCSA-N 1 0 300.244 3.241 10 0 DGAERO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000383338527 434284720 /nfs/dbraw/zinc/28/47/20/434284720.db2.gz PXZZKVFNTDLICJ-AKHDSKFASA-N 1 0 312.457 3.013 10 0 DGAERO C[N@H+](CCCOCc1ccccc1)C[C@H](O)CC1CCCC1 ZINC000383719782 434286196 /nfs/dbraw/zinc/28/61/96/434286196.db2.gz FXFWHBMHSSXTGB-LJQANCHMSA-N 1 0 305.462 3.466 10 0 DGAERO COCC[C@@H](COC)[NH2+][C@@H](C)c1sccc1Br ZINC000384014422 434290545 /nfs/dbraw/zinc/29/05/45/434290545.db2.gz OWJBCGPEEHGFBV-UWVGGRQHSA-N 1 0 322.268 3.213 10 0 DGAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000450627209 434301192 /nfs/dbraw/zinc/30/11/92/434301192.db2.gz TZZMKXQYRSRMDX-RBSFLKMASA-N 1 0 322.415 3.027 10 0 DGAERO O=C1CC[C@H]([NH2+]Cc2nc3cc(F)ccc3o2)C2(CCC2)N1 ZINC000328698628 434301826 /nfs/dbraw/zinc/30/18/26/434301826.db2.gz LUTARRFIODDUMI-ZDUSSCGKSA-N 1 0 303.337 3.098 10 0 DGAERO CC[C@@H]1C[C@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000387703820 434327405 /nfs/dbraw/zinc/32/74/05/434327405.db2.gz LCZIEVVVVBFXOJ-WOPDTQHZSA-N 1 0 318.244 3.369 10 0 DGAERO COC[C@H](C)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390655859 434365800 /nfs/dbraw/zinc/36/58/00/434365800.db2.gz KSKKVFHLBKIXLX-SJLPKXTDSA-N 1 0 304.478 3.159 10 0 DGAERO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000358191200 434377792 /nfs/dbraw/zinc/37/77/92/434377792.db2.gz OLTYQAYUYZUYBK-MRXNPFEDSA-N 1 0 301.434 3.007 10 0 DGAERO c1cn2ccnc(S[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2n1 ZINC000287517581 434382057 /nfs/dbraw/zinc/38/20/57/434382057.db2.gz LVZYJQAAPGBRMT-HNNXBMFYSA-N 1 0 310.426 3.096 10 0 DGAERO CC(C)CC1(C[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000391854500 434386841 /nfs/dbraw/zinc/38/68/41/434386841.db2.gz UMEBKWMKOAZYSB-UHFFFAOYSA-N 1 0 300.244 3.099 10 0 DGAERO c1cnn(-c2cccc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)c2)c1 ZINC000353745199 434388456 /nfs/dbraw/zinc/38/84/56/434388456.db2.gz HRVVBDRISHFXFQ-LJQANCHMSA-N 1 0 311.429 3.265 10 0 DGAERO Brc1sccc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000388544406 434334845 /nfs/dbraw/zinc/33/48/45/434334845.db2.gz FAUHGTIRKQULPW-NEPJUHHUSA-N 1 0 315.280 3.227 10 0 DGAERO CN(CCOCC1CC1)Cc1ccsc1Br ZINC000388981119 434339532 /nfs/dbraw/zinc/33/95/32/434339532.db2.gz OIHQQYRDAZXYJL-UHFFFAOYSA-N 1 0 304.253 3.369 10 0 DGAERO C[C@@H](CNCc1ccsc1Br)[N@H+](C)C1CC1 ZINC000388882953 434341103 /nfs/dbraw/zinc/34/11/03/434341103.db2.gz JKZSEKUPDCRFLY-VIFPVBQESA-N 1 0 303.269 3.083 10 0 DGAERO CN(Cc1ccsc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000389010999 434342120 /nfs/dbraw/zinc/34/21/20/434342120.db2.gz NQCILDCORMZIRG-LBPRGKRZSA-N 1 0 315.280 3.037 10 0 DGAERO COc1ccc(C[NH2+]CCN2CC=C(C)CC2)c(Cl)c1OC ZINC000358142392 434346921 /nfs/dbraw/zinc/34/69/21/434346921.db2.gz REIAPQHHQZWPPL-UHFFFAOYSA-N 1 0 324.852 3.099 10 0 DGAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000389284418 434347005 /nfs/dbraw/zinc/34/70/05/434347005.db2.gz VOBNXVUEELYNNW-CMPLNLGQSA-N 1 0 315.230 3.333 10 0 DGAERO CC[C@H]([NH2+]C1COCCOC1)c1ccc(Cl)cc1Cl ZINC000389350392 434347234 /nfs/dbraw/zinc/34/72/34/434347234.db2.gz YUHXALQQWXXVOL-AWEZNQCLSA-N 1 0 304.217 3.450 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000389867546 434352261 /nfs/dbraw/zinc/35/22/61/434352261.db2.gz MPVZQUKXIJGAEK-KDOFPFPSSA-N 1 0 315.848 3.345 10 0 DGAERO Fc1cccc(Br)c1C[NH2+]CC1=CCOCC1 ZINC000397823245 434445747 /nfs/dbraw/zinc/44/57/47/434445747.db2.gz IBJAWOIUNQRNFC-UHFFFAOYSA-N 1 0 300.171 3.025 10 0 DGAERO CN(C)C1(C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000397839674 434445832 /nfs/dbraw/zinc/44/58/32/434445832.db2.gz GCLSBTNLQVMVBD-JTQLQIEISA-N 1 0 315.280 3.182 10 0 DGAERO CCn1cncc1C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000397936851 434447196 /nfs/dbraw/zinc/44/71/96/434447196.db2.gz XCQKEILIDWHQKW-IBGZPJMESA-N 1 0 312.461 3.047 10 0 DGAERO COc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1SC ZINC000457916808 434398617 /nfs/dbraw/zinc/39/86/17/434398617.db2.gz SRVBLRONRUOGJY-UHFFFAOYSA-N 1 0 308.447 3.088 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000393910635 434400421 /nfs/dbraw/zinc/40/04/21/434400421.db2.gz BKBLWIQBYWDXGK-JFRXWTBNSA-N 1 0 302.462 3.197 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)Nc2cccc(F)c2F)CC1 ZINC000438098545 434404074 /nfs/dbraw/zinc/40/40/74/434404074.db2.gz PTBQCHHKMBRILG-UHFFFAOYSA-N 1 0 311.376 3.208 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000394924707 434410724 /nfs/dbraw/zinc/41/07/24/434410724.db2.gz IKXGMSPXYXRVJB-LLVKDONJSA-N 1 0 302.187 3.245 10 0 DGAERO Cc1c(Br)cccc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000395252672 434415920 /nfs/dbraw/zinc/41/59/20/434415920.db2.gz XBOJNPWHHKJNEV-QWRGUYRKSA-N 1 0 311.223 3.084 10 0 DGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(F)cc1Br ZINC000395175238 434416144 /nfs/dbraw/zinc/41/61/44/434416144.db2.gz IWUHJOVEPHWUGH-RISCZKNCSA-N 1 0 316.214 3.181 10 0 DGAERO C[C@@H]1C[C@@H](C)N(C(=O)c2cc3sccc3s2)C[C@@H]1C[NH3+] ZINC000397480633 434434862 /nfs/dbraw/zinc/43/48/62/434434862.db2.gz NCPGYJDAABJIGU-MXWKQRLJSA-N 1 0 308.472 3.408 10 0 DGAERO Cc1ccc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)cn1 ZINC000397446300 434435625 /nfs/dbraw/zinc/43/56/25/434435625.db2.gz LTOKEIIQURWFJS-UHFFFAOYSA-N 1 0 307.438 3.173 10 0 DGAERO Fc1c(Br)cccc1C[NH2+]CC1=CCOCC1 ZINC000397636338 434441532 /nfs/dbraw/zinc/44/15/32/434441532.db2.gz PNVFVXXQESNTFC-UHFFFAOYSA-N 1 0 300.171 3.025 10 0 DGAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287823249 434458631 /nfs/dbraw/zinc/45/86/31/434458631.db2.gz VIHTXLXKEBBKRV-VHDGCEQUSA-N 1 0 317.351 3.291 10 0 DGAERO Cc1cc(F)cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000329681744 434459013 /nfs/dbraw/zinc/45/90/13/434459013.db2.gz SCFGZPWGHZGTKT-YOEHRIQHSA-N 1 0 317.364 3.110 10 0 DGAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3Br)C[C@@H]2C1 ZINC000398746598 434464746 /nfs/dbraw/zinc/46/47/46/434464746.db2.gz SNRYDHMKJCXSKE-FPMFFAJLSA-N 1 0 310.235 3.042 10 0 DGAERO Cc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398769953 434466135 /nfs/dbraw/zinc/46/61/35/434466135.db2.gz GNNFBIRKGTWZDO-DUVNUKRYSA-N 1 0 324.262 3.350 10 0 DGAERO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccc(Cl)cc1Cl ZINC000399122447 434475092 /nfs/dbraw/zinc/47/50/92/434475092.db2.gz IKHOHKOZJHQEJC-OQPBUACISA-N 1 0 301.217 3.298 10 0 DGAERO CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cccs1 ZINC000360026580 434482465 /nfs/dbraw/zinc/48/24/65/434482465.db2.gz ZUJLUKMBABXUQK-OAHLLOKOSA-N 1 0 317.458 3.221 10 0 DGAERO c1cn2c(n1)CC[C@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000360023381 434482774 /nfs/dbraw/zinc/48/27/74/434482774.db2.gz ZAVQCCQXBSYOII-WMZOPIPTSA-N 1 0 323.440 3.190 10 0 DGAERO CCOCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400448147 434486411 /nfs/dbraw/zinc/48/64/11/434486411.db2.gz OAJPCWSYTHMAKD-GJZGRUSLSA-N 1 0 314.470 3.038 10 0 DGAERO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000400414000 434486531 /nfs/dbraw/zinc/48/65/31/434486531.db2.gz UVZWMVPLRSFMGC-LSDHHAIUSA-N 1 0 319.449 3.125 10 0 DGAERO CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000458112842 434487608 /nfs/dbraw/zinc/48/76/08/434487608.db2.gz QPZOZKBBWVZMNW-IEBWSBKVSA-N 1 0 300.446 3.447 10 0 DGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400516274 434488322 /nfs/dbraw/zinc/48/83/22/434488322.db2.gz BZTRSZSFRFCWIX-RLLQIKCJSA-N 1 0 316.489 3.303 10 0 DGAERO Brc1sccc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000400632066 434490041 /nfs/dbraw/zinc/49/00/41/434490041.db2.gz NNYSZBQMLGGMQW-SNVBAGLBSA-N 1 0 304.253 3.417 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438473528 434490363 /nfs/dbraw/zinc/49/03/63/434490363.db2.gz DXYMJMNPKSMTTK-MELADBBJSA-N 1 0 320.399 3.346 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](C)Cc3ccccc3)[C@@H]2C1 ZINC000521942447 294893583 /nfs/dbraw/zinc/89/35/83/294893583.db2.gz MOHACGWWXLXEEV-QLIIJSOBSA-N 1 0 314.473 3.102 10 0 DGAERO C[C@@]1(C[NH2+]CC[C@@H]2CCOC2)CCCN1Cc1ccccc1 ZINC000400602635 434492414 /nfs/dbraw/zinc/49/24/14/434492414.db2.gz DPUCHMQHCHZYBN-MOPGFXCFSA-N 1 0 302.462 3.057 10 0 DGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)cc1Cl ZINC000401643170 434499500 /nfs/dbraw/zinc/49/95/00/434499500.db2.gz BEDXARKBXGJHFX-ZDUSSCGKSA-N 1 0 313.228 3.398 10 0 DGAERO Cc1cncc(CC[NH2+][C@@H](C)c2ccccc2Br)n1 ZINC000402747828 434502169 /nfs/dbraw/zinc/50/21/69/434502169.db2.gz XDBBVMPIUNQDKR-LBPRGKRZSA-N 1 0 320.234 3.441 10 0 DGAERO Cc1cncc(CC[NH2+][C@H](C)c2ccccc2Br)n1 ZINC000402747827 434502496 /nfs/dbraw/zinc/50/24/96/434502496.db2.gz XDBBVMPIUNQDKR-GFCCVEGCSA-N 1 0 320.234 3.441 10 0 DGAERO CC[C@H](C)[NH+]1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000450864723 434450342 /nfs/dbraw/zinc/45/03/42/434450342.db2.gz VTKHRXYOEZSPMA-ZDUSSCGKSA-N 1 0 310.401 3.297 10 0 DGAERO C[C@H]1C[C@@H](NC(=O)NC2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000398056233 434451698 /nfs/dbraw/zinc/45/16/98/434451698.db2.gz DZBVFOMJFBXQES-MAUKXSAKSA-N 1 0 315.461 3.281 10 0 DGAERO c1ccc(COc2ccc(C[N@@H+]3CCOCC4(CC4)C3)cc2)nc1 ZINC000360085978 434511482 /nfs/dbraw/zinc/51/14/82/434511482.db2.gz BXEBCXKQUMZTNB-UHFFFAOYSA-N 1 0 324.424 3.273 10 0 DGAERO CC[NH+](CC)C[C@@H](C)NC(=O)N(Cc1ccccc1)C(C)C ZINC000523189951 294938928 /nfs/dbraw/zinc/93/89/28/294938928.db2.gz WVSRQJZCIFGXHK-MRXNPFEDSA-N 1 0 305.466 3.337 10 0 DGAERO CN(CC1([NH+](C)C)CCC1)C(=O)C/C=C\c1cccc(F)c1 ZINC000438614248 434520006 /nfs/dbraw/zinc/52/00/06/434520006.db2.gz OSKJOCMLRZZMMS-YVMONPNESA-N 1 0 304.409 3.172 10 0 DGAERO COc1cc2c(cc1C[NH2+]CCc1ccccc1O)O[C@@H](C)C2 ZINC000523495246 294949910 /nfs/dbraw/zinc/94/99/10/294949910.db2.gz RLLRAYMBSLEDGT-ZDUSSCGKSA-N 1 0 313.397 3.057 10 0 DGAERO Cc1cc(C[NH2+]CCCn2cc(Br)cn2)cs1 ZINC000296151315 434525346 /nfs/dbraw/zinc/52/53/46/434525346.db2.gz VXMHIQISLVDNST-UHFFFAOYSA-N 1 0 314.252 3.195 10 0 DGAERO CC1(C)C[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C[C@]2(CCOC2)O1 ZINC000366874327 434528037 /nfs/dbraw/zinc/52/80/37/434528037.db2.gz ICDSQDKTOYSDFY-LPHOPBHVSA-N 1 0 323.477 3.138 10 0 DGAERO CCn1cncc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000417817808 434531658 /nfs/dbraw/zinc/53/16/58/434531658.db2.gz VLNNVXSJCVLLBS-IBGZPJMESA-N 1 0 313.445 3.165 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000360170182 434537438 /nfs/dbraw/zinc/53/74/38/434537438.db2.gz HRBGDGJTLSXOKT-KBAYOESNSA-N 1 0 300.446 3.265 10 0 DGAERO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000408139766 434544694 /nfs/dbraw/zinc/54/46/94/434544694.db2.gz PHGOKBKHGNQANB-FRFSOERESA-N 1 0 324.428 3.232 10 0 DGAERO c1ccc(OC2CC2)c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000451067296 434552727 /nfs/dbraw/zinc/55/27/27/434552727.db2.gz ZBROMYIBNPDTJH-QGZVFWFLSA-N 1 0 301.430 3.476 10 0 DGAERO Cc1ccc(-c2noc(C[N@H+]3CC[C@H](C)C[C@H]3[C@H](C)O)n2)cc1 ZINC000525957267 295045219 /nfs/dbraw/zinc/04/52/19/295045219.db2.gz IOSZTEMPRPXUMH-DZKIICNBSA-N 1 0 315.417 3.026 10 0 DGAERO CCOC(=O)c1csc(CC[NH2+]Cc2cc(C)sc2C)n1 ZINC000526045514 295053118 /nfs/dbraw/zinc/05/31/18/295053118.db2.gz RTHGHFRCOGUKNC-UHFFFAOYSA-N 1 0 324.471 3.330 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000526048127 295053728 /nfs/dbraw/zinc/05/37/28/295053728.db2.gz DCTXLGBYNMIMDP-UHFFFAOYSA-N 1 0 309.498 3.473 10 0 DGAERO c1sc(C2CC2)nc1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000360273512 434563622 /nfs/dbraw/zinc/56/36/22/434563622.db2.gz HYURYLCUFUZRMD-AWEZNQCLSA-N 1 0 316.426 3.340 10 0 DGAERO Brc1sccc1C[NH2+]CCc1nccs1 ZINC000527649816 295109590 /nfs/dbraw/zinc/10/95/90/295109590.db2.gz KHJGCLZGGRKUFY-UHFFFAOYSA-N 1 0 303.250 3.299 10 0 DGAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527658717 295111372 /nfs/dbraw/zinc/11/13/72/295111372.db2.gz JIJLEQHGNXXPMP-JTQLQIEISA-N 1 0 322.193 3.224 10 0 DGAERO CC[C@@H](COC)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527666235 295112383 /nfs/dbraw/zinc/11/23/83/295112383.db2.gz VDOWRXMYYHIQQL-VIFPVBQESA-N 1 0 308.166 3.242 10 0 DGAERO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527691756 295116211 /nfs/dbraw/zinc/11/62/11/295116211.db2.gz NVNQTPMJXLVDNS-ISVAXAHUSA-N 1 0 320.177 3.384 10 0 DGAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527699025 295117279 /nfs/dbraw/zinc/11/72/79/295117279.db2.gz FNQLRDPXFCBUOQ-KCJUWKMLSA-N 1 0 320.177 3.242 10 0 DGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527699024 295117351 /nfs/dbraw/zinc/11/73/51/295117351.db2.gz FNQLRDPXFCBUOQ-GZMMTYOYSA-N 1 0 320.177 3.242 10 0 DGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2Br)C1 ZINC000527720228 295120622 /nfs/dbraw/zinc/12/06/22/295120622.db2.gz IDNFMYHDNGOZOZ-MWLCHTKSSA-N 1 0 304.253 3.151 10 0 DGAERO c1nc(-c2ccncc2)sc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527736499 295122885 /nfs/dbraw/zinc/12/28/85/295122885.db2.gz GHPKZWDBFUODFJ-ZDUSSCGKSA-N 1 0 303.431 3.111 10 0 DGAERO c1ncn(-c2ccc(C[NH2+][C@H](c3ccccn3)C3CCC3)cc2)n1 ZINC000527770046 295127801 /nfs/dbraw/zinc/12/78/01/295127801.db2.gz CLJNKGQCZUZXLM-IBGZPJMESA-N 1 0 319.412 3.293 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000527804505 295133327 /nfs/dbraw/zinc/13/33/27/295133327.db2.gz QKAXMAQGIPNGPA-GYYKNPCSSA-N 1 0 302.462 3.051 10 0 DGAERO c1cn(Cc2ccccc2)c(CNC[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000527807258 295134099 /nfs/dbraw/zinc/13/40/99/295134099.db2.gz NGRBEYHPYYUPSB-LJQANCHMSA-N 1 0 324.472 3.038 10 0 DGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1sccc1Br ZINC000527807421 295134451 /nfs/dbraw/zinc/13/44/51/295134451.db2.gz ZRYLWMCBRWVTQK-UOKLYIGXSA-N 1 0 304.253 3.412 10 0 DGAERO c1c(C[NH2+]CC2COC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000527820163 295135846 /nfs/dbraw/zinc/13/58/46/295135846.db2.gz SKDAQHYGEZMMJX-UHFFFAOYSA-N 1 0 319.408 3.275 10 0 DGAERO NC(=O)[C@H]([NH2+]C1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000037969711 295141720 /nfs/dbraw/zinc/14/17/20/295141720.db2.gz DJFHUEHMGKHACD-CYBMUJFWSA-N 1 0 300.324 3.154 10 0 DGAERO c1c[nH]c([C@H](NC[C@H]2CC[N@@H+]2C2CCCC2)c2ccccc2)n1 ZINC000528004165 295164682 /nfs/dbraw/zinc/16/46/82/295164682.db2.gz VRUCQPFFJAMVGA-QZTJIDSGSA-N 1 0 310.445 3.106 10 0 DGAERO Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000408443658 434576388 /nfs/dbraw/zinc/57/63/88/434576388.db2.gz OPDSSRLLZLNZQQ-HIFRSBDPSA-N 1 0 314.433 3.423 10 0 DGAERO Brc1ccc([C@H]([NH2+]CC2COC2)c2ccco2)cc1 ZINC000528027585 295168798 /nfs/dbraw/zinc/16/87/98/295168798.db2.gz UUGRMPYSCFJDPK-HNNXBMFYSA-N 1 0 322.202 3.368 10 0 DGAERO COc1ccc([C@@H](C)CC[NH2+][C@H](C)C2(OC)CCOCC2)cc1 ZINC000453114093 295204769 /nfs/dbraw/zinc/20/47/69/295204769.db2.gz GCXBALPDLAUDHO-JKSUJKDBSA-N 1 0 321.461 3.363 10 0 DGAERO C(c1nc(C2CCCC2)no1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000528579870 295228103 /nfs/dbraw/zinc/22/81/03/295228103.db2.gz WGDLTTNGCNPDSC-OAHLLOKOSA-N 1 0 319.449 3.018 10 0 DGAERO CC[C@@]1(CO)CCC[N@@H+]1Cc1c(F)cccc1Br ZINC000439293760 434588003 /nfs/dbraw/zinc/58/80/03/434588003.db2.gz DUTJLXCZRMZUPZ-AWEZNQCLSA-N 1 0 316.214 3.325 10 0 DGAERO Clc1cccc([C@H]2C[C@H]([NH2+]Cc3cnc4cnccn34)C2)c1 ZINC000369160016 434590114 /nfs/dbraw/zinc/59/01/14/434590114.db2.gz BJANYXRIXLHTFR-CTYIDZIISA-N 1 0 312.804 3.419 10 0 DGAERO c1nc(CN2CC3(C2)CCCOC3)sc1-c1ccccc1 ZINC000459603284 434628516 /nfs/dbraw/zinc/62/85/16/434628516.db2.gz HTXFEZXAWHXSSO-UHFFFAOYSA-N 1 0 300.427 3.423 10 0 DGAERO c1ccc(N2CCC(C[NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459533274 434597249 /nfs/dbraw/zinc/59/72/49/434597249.db2.gz SIQPLDUOOGVDAM-UHFFFAOYSA-N 1 0 322.456 3.360 10 0 DGAERO CC(C)(CNC(=O)C1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC000360598109 434644822 /nfs/dbraw/zinc/64/48/22/434644822.db2.gz NSHZUTMQVHOMEK-UHFFFAOYSA-N 1 0 302.409 3.050 10 0 DGAERO OC[C@@]1(c2ccccc2)CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459556943 434605634 /nfs/dbraw/zinc/60/56/34/434605634.db2.gz KSYWDRNPWASYPO-SESVDKBCSA-N 1 0 307.437 3.426 10 0 DGAERO Brc1cc(C[NH2+][C@@H]2CC23CC3)cc2c1OCCCO2 ZINC000424181546 434650281 /nfs/dbraw/zinc/65/02/81/434650281.db2.gz CEGGPXKEBIEDFE-CYBMUJFWSA-N 1 0 324.218 3.253 10 0 DGAERO c1cc2c(cccc2C[NH+]2CCC(c3nnc4n3CCC4)CC2)[nH]1 ZINC000371362295 434677746 /nfs/dbraw/zinc/67/77/46/434677746.db2.gz ZRCPKOQSMPQPMD-UHFFFAOYSA-N 1 0 321.428 3.085 10 0 DGAERO Cc1csc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000440147903 434680076 /nfs/dbraw/zinc/68/00/76/434680076.db2.gz QQOIENLMXYEKDT-OCCSQVGLSA-N 1 0 307.463 3.036 10 0 DGAERO CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000460214524 434748843 /nfs/dbraw/zinc/74/88/43/434748843.db2.gz LBBOHSOWFXFXPY-SJORKVTESA-N 1 0 307.482 3.249 10 0 DGAERO C[C@H](CC[NH+](C)C)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360982252 434753736 /nfs/dbraw/zinc/75/37/36/434753736.db2.gz HOYXJCNRGQQSTA-CQSZACIVSA-N 1 0 306.450 3.072 10 0 DGAERO CC[N@H+](CC1(CC(=O)OC)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000440704498 434735638 /nfs/dbraw/zinc/73/56/38/434735638.db2.gz LEYCKZCTBWBYQS-HNNXBMFYSA-N 1 0 319.445 3.291 10 0 DGAERO O=C(NC[C@H]1CCCC1(F)F)c1cccc(C[NH+]2CCCC2)c1 ZINC000452848478 434737531 /nfs/dbraw/zinc/73/75/31/434737531.db2.gz PGTPBDGWXYLDMD-MRXNPFEDSA-N 1 0 322.399 3.448 10 0 DGAERO Cc1cccc(Nc2nnc(SC[C@H](C)[NH+](C)C)s2)c1 ZINC000460424360 434759061 /nfs/dbraw/zinc/75/90/61/434759061.db2.gz FKWWEFLZSTWMBL-NSHDSACASA-N 1 0 308.476 3.632 10 0 DGAERO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)N2CCc3ccccc32)C1 ZINC000445066420 434791513 /nfs/dbraw/zinc/79/15/13/434791513.db2.gz PYDOTMVRHKBPGJ-QGZVFWFLSA-N 1 0 321.424 3.162 10 0 DGAERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCC23CCC3)C1 ZINC000445262040 434792969 /nfs/dbraw/zinc/79/29/69/434792969.db2.gz JXJCOFYQZXHHSK-HOTGVXAUSA-N 1 0 321.509 3.471 10 0 DGAERO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C2(OC)CCOCC2)cc1 ZINC000453176728 434822284 /nfs/dbraw/zinc/82/22/84/434822284.db2.gz MWAFESYWZYTIEW-HOTGVXAUSA-N 1 0 321.461 3.048 10 0 DGAERO c1ccc(OCCOCC[NH2+][C@@H](c2cccnc2)C2CC2)cc1 ZINC000445808841 434828492 /nfs/dbraw/zinc/82/84/92/434828492.db2.gz CPTUQAWPHIURKJ-LJQANCHMSA-N 1 0 312.413 3.218 10 0 DGAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1ccc3c[nH]nc3c1)CC2 ZINC000372439361 434829466 /nfs/dbraw/zinc/82/94/66/434829466.db2.gz LKVCIXYPKHNWEE-LLVKDONJSA-N 1 0 323.400 3.153 10 0 DGAERO CCCCCn1nc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000361203213 434830527 /nfs/dbraw/zinc/83/05/27/434830527.db2.gz CCRNBQLUXMRLHM-OAHLLOKOSA-N 1 0 306.454 3.195 10 0 DGAERO Cc1cc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cs1 ZINC000453221254 434833275 /nfs/dbraw/zinc/83/32/75/434833275.db2.gz RTGFKBXBYCGBDT-LZWOXQAQSA-N 1 0 309.475 3.275 10 0 DGAERO COC1([C@H](C)[NH2+][C@H]2C[C@H](c3ccccc3F)C2)CCOCC1 ZINC000453231428 434834737 /nfs/dbraw/zinc/83/47/37/434834737.db2.gz YHMBTGGFHZQOBF-KKUMJFAQSA-N 1 0 307.409 3.245 10 0 DGAERO COC1([C@H](C)[NH2+]Cc2ccc(C(C)(F)F)cc2)CCOCC1 ZINC000453246531 434840669 /nfs/dbraw/zinc/84/06/69/434840669.db2.gz VJFFHZOZIBZROD-ZDUSSCGKSA-N 1 0 313.388 3.472 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]Cc1nc(C)c(Br)s1 ZINC000453267510 434844818 /nfs/dbraw/zinc/84/48/18/434844818.db2.gz MSHUHYFCPIMZGP-QMMMGPOBSA-N 1 0 307.257 3.117 10 0 DGAERO CC(C)(CO)CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453286295 434849825 /nfs/dbraw/zinc/84/98/25/434849825.db2.gz YDLFBLZNZMWLIZ-ZDUSSCGKSA-N 1 0 316.367 3.476 10 0 DGAERO CCc1cc(CC)nc(N2CCC(C[NH+](CC)CC)CC2)n1 ZINC000553296389 434884713 /nfs/dbraw/zinc/88/47/13/434884713.db2.gz ARTRVUIGDAWICB-UHFFFAOYSA-N 1 0 304.482 3.160 10 0 DGAERO CCc1nc(C)cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000553366471 434889097 /nfs/dbraw/zinc/88/90/97/434889097.db2.gz QUIZIWYGOIERQZ-KRWDZBQOSA-N 1 0 316.493 3.440 10 0 DGAERO COC[C@@H](O)C[NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000554180081 434917902 /nfs/dbraw/zinc/91/79/02/434917902.db2.gz RSQVYAJFOBVARV-QFBILLFUSA-N 1 0 311.381 3.119 10 0 DGAERO C=Cn1cc(C[NH2+][C@H](Cn2ccnc2)c2ccc(C)cc2C)cn1 ZINC000573068876 434870867 /nfs/dbraw/zinc/87/08/67/434870867.db2.gz HMYGNMYDQSVJPN-LJQANCHMSA-N 1 0 321.428 3.328 10 0 DGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000521146910 434871136 /nfs/dbraw/zinc/87/11/36/434871136.db2.gz ZWHYJTSGSMNWFF-OKZBNKHCSA-N 1 0 300.446 3.313 10 0 DGAERO CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c4ccc(C)cc34)[C@@H]2C1 ZINC000554690458 434942532 /nfs/dbraw/zinc/94/25/32/434942532.db2.gz WTJINWCCJHSLJA-WDYCEAGBSA-N 1 0 323.440 3.024 10 0 DGAERO CC(C)[N@H+](C)CCCNCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462798261 434930126 /nfs/dbraw/zinc/93/01/26/434930126.db2.gz MLKUZKMDGOMEIU-UHFFFAOYSA-N 1 0 320.477 3.462 10 0 DGAERO O=C(NCCCC1CC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000522906415 434934926 /nfs/dbraw/zinc/93/49/26/434934926.db2.gz RKXQHXQONMRVJN-GOSISDBHSA-N 1 0 315.461 3.140 10 0 DGAERO CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000465363121 435025525 /nfs/dbraw/zinc/02/55/25/435025525.db2.gz INBOLAYNCUEATI-IRXDYDNUSA-N 1 0 309.498 3.329 10 0 DGAERO CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2-n2cccn2)no1 ZINC000555989296 434991295 /nfs/dbraw/zinc/99/12/95/434991295.db2.gz XOBBNEHUHAKHQS-INIZCTEOSA-N 1 0 323.400 3.469 10 0 DGAERO C[C@H](CNC(=O)N1CCC2(C1)CCCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000465531755 435032854 /nfs/dbraw/zinc/03/28/54/435032854.db2.gz BRODGAGEPFOFBD-IAGOWNOFSA-N 1 0 321.509 3.473 10 0 DGAERO COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2OCC(C)C)C1 ZINC000464727762 434995248 /nfs/dbraw/zinc/99/52/48/434995248.db2.gz DKHQGUXTFFNVEP-INIZCTEOSA-N 1 0 305.418 3.106 10 0 DGAERO O=C(c1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)Cl ZINC000575243191 435006597 /nfs/dbraw/zinc/00/65/97/435006597.db2.gz XBOUQYHUPHXBCU-UHFFFAOYSA-N 1 0 303.736 3.176 10 0 DGAERO C[C@@H](CCC1CCCC1)[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000556920509 435038733 /nfs/dbraw/zinc/03/87/33/435038733.db2.gz IZHVGSIFZXDSEU-AWEZNQCLSA-N 1 0 301.496 3.292 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000578810623 435110962 /nfs/dbraw/zinc/11/09/62/435110962.db2.gz PEJJIRSCBQMZBS-AWEZNQCLSA-N 1 0 321.852 3.352 10 0 DGAERO CCc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000531722443 435112464 /nfs/dbraw/zinc/11/24/64/435112464.db2.gz BJLQHUJRUKHHJC-DNVCBOLYSA-N 1 0 313.445 3.237 10 0 DGAERO CC[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C(F)(F)F ZINC000468942783 435129829 /nfs/dbraw/zinc/12/98/29/435129829.db2.gz IWZWABCWNXCGJF-CFVMTHIKSA-N 1 0 300.368 3.437 10 0 DGAERO CC(=O)c1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C ZINC000579371608 435150946 /nfs/dbraw/zinc/15/09/46/435150946.db2.gz SFAWYBAAMYJWQI-XJKSGUPXSA-N 1 0 317.433 3.144 10 0 DGAERO Brc1cccc2c1C[C@@H]([NH2+]CC[C@@H]1CCOC1)CC2 ZINC000580335716 435222889 /nfs/dbraw/zinc/22/28/89/435222889.db2.gz HTHVEHXGRJFADZ-OCCSQVGLSA-N 1 0 324.262 3.323 10 0 DGAERO C[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000123684510 298019986 /nfs/dbraw/zinc/01/99/86/298019986.db2.gz FXFPYZOUSXSCRQ-FUHWJXTLSA-N 1 0 300.446 3.267 10 0 DGAERO c1ccc(OCCCC[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000583869806 435250900 /nfs/dbraw/zinc/25/09/00/435250900.db2.gz JHMRHVRMLNUQDI-KRWDZBQOSA-N 1 0 307.459 3.054 10 0 DGAERO C[C@@H]1C[C@@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533640230 435251168 /nfs/dbraw/zinc/25/11/68/435251168.db2.gz QNHAEIUPOSLZKI-NXEZZACHSA-N 1 0 311.216 3.320 10 0 DGAERO OCCC1([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCCCC1 ZINC000534468215 435289801 /nfs/dbraw/zinc/28/98/01/435289801.db2.gz WKRMSDVFNHEPBN-AWEZNQCLSA-N 1 0 310.463 3.170 10 0 DGAERO CC(C)(CNC(=O)N1CCC2(C1)CCCCC2)C[NH+]1CCCC1 ZINC000478409460 435298853 /nfs/dbraw/zinc/29/88/53/435298853.db2.gz DKYDGILCGAWOIE-UHFFFAOYSA-N 1 0 321.509 3.474 10 0 DGAERO CC[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccn(C)n1 ZINC000479466064 435334389 /nfs/dbraw/zinc/33/43/89/435334389.db2.gz LQBZVLKPSDXLGM-GOSISDBHSA-N 1 0 312.461 3.377 10 0 DGAERO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cc2c(s1)CCC2 ZINC000480690337 435391040 /nfs/dbraw/zinc/39/10/40/435391040.db2.gz RPMPCPVTBDROGD-CZUORRHYSA-N 1 0 301.455 3.491 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1(N(C)C)CCOCC1 ZINC000513499063 435392071 /nfs/dbraw/zinc/39/20/71/435392071.db2.gz DHGXFVOMCLFYQE-QINSGFPZSA-N 1 0 322.880 3.444 10 0 DGAERO CC(C)C[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000480712980 435393401 /nfs/dbraw/zinc/39/34/01/435393401.db2.gz VPCOWDMGGQMKPU-SJORKVTESA-N 1 0 319.493 3.469 10 0 DGAERO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)C1(c2ccccc2)CCCC1 ZINC000481814256 435444469 /nfs/dbraw/zinc/44/44/69/435444469.db2.gz KKUQHXRKQJDRMC-MRXNPFEDSA-N 1 0 314.473 3.345 10 0 DGAERO c1cc(CCC[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc2c1OCC2 ZINC000482165806 435452731 /nfs/dbraw/zinc/45/27/31/435452731.db2.gz BZSVEJCYHBBZKC-ROUUACIJSA-N 1 0 301.430 3.055 10 0 DGAERO c1cn(-c2csc(CN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000515383891 435480857 /nfs/dbraw/zinc/48/08/57/435480857.db2.gz XJMSOYFBSMREOK-DLBZAZTESA-N 1 0 316.474 3.040 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C1(CC)CC ZINC000537293172 435435742 /nfs/dbraw/zinc/43/57/42/435435742.db2.gz XMRVJXYKTWOTQW-OKZBNKHCSA-N 1 0 305.462 3.336 10 0 DGAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000568459001 435438134 /nfs/dbraw/zinc/43/81/34/435438134.db2.gz WAWLHTNAIOKEQG-XPKDYRNWSA-N 1 0 324.415 3.305 10 0 DGAERO CC[C@@H]([NH2+]CCc1ccccc1Br)[C@@H]1CCOC1 ZINC000481710512 435439483 /nfs/dbraw/zinc/43/94/83/435439483.db2.gz COQXUCRISQOQBZ-UKRRQHHQSA-N 1 0 312.251 3.396 10 0 DGAERO COc1cccc([C@@H](C)CCCC(=O)N(C)CCC[NH+](C)C)c1 ZINC000515766419 435503486 /nfs/dbraw/zinc/50/34/86/435503486.db2.gz RAEUYCLVBUCGAU-INIZCTEOSA-N 1 0 320.477 3.379 10 0 DGAERO c1cn(-c2csc(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000515383892 435481767 /nfs/dbraw/zinc/48/17/67/435481767.db2.gz XJMSOYFBSMREOK-IAGOWNOFSA-N 1 0 316.474 3.040 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(SCC)cc2)C1 ZINC000539057337 435535866 /nfs/dbraw/zinc/53/58/66/435535866.db2.gz YRGAJOGNVSKZJE-DZGCQCFKSA-N 1 0 321.490 3.253 10 0 DGAERO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)CCC[NH+](C)C ZINC000539416180 435551110 /nfs/dbraw/zinc/55/11/10/435551110.db2.gz DCMACWCNAUAOPJ-OAHLLOKOSA-N 1 0 320.477 3.162 10 0 DGAERO O=C(C[N@@H+]1CCC2(C1)CCCCC2)NCCc1ccc(F)cc1 ZINC000569775732 435559565 /nfs/dbraw/zinc/55/95/65/435559565.db2.gz GCVXKYXILWEUNJ-UHFFFAOYSA-N 1 0 318.436 3.141 10 0 DGAERO c1ccc(OCCCCC[N@@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000517031758 435571389 /nfs/dbraw/zinc/57/13/89/435571389.db2.gz ZQPYAZBWEQCMFA-GOSISDBHSA-N 1 0 321.486 3.444 10 0 DGAERO OC1(C(F)(F)F)CCC([NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000540159591 435591458 /nfs/dbraw/zinc/59/14/58/435591458.db2.gz LCDCWUNROVLBRH-YVNMAJEFSA-N 1 0 301.299 3.390 10 0 DGAERO CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2C[C@H]2C)CC1)CC(C)C ZINC000539172989 435542609 /nfs/dbraw/zinc/54/26/09/435542609.db2.gz NWCAXVBDZSLRDW-AEFFLSMTSA-N 1 0 323.525 3.432 10 0 DGAERO c1cnc(N2CCC([NH2+]CC3(C4CCC4)CCC3)CC2)cn1 ZINC000570369086 435612093 /nfs/dbraw/zinc/61/20/93/435612093.db2.gz BBRFMEKSTGRLBQ-UHFFFAOYSA-N 1 0 300.450 3.005 10 0 DGAERO c1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]2CCOC2)cc1 ZINC000540410904 435599114 /nfs/dbraw/zinc/59/91/14/435599114.db2.gz FAUWREJEGSIWKN-UYAOXDASSA-N 1 0 314.473 3.228 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C1(c2cccs2)CCCCC1 ZINC000540517364 435605100 /nfs/dbraw/zinc/60/51/00/435605100.db2.gz LUEHQUPESJQFRD-UHFFFAOYSA-N 1 0 308.491 3.360 10 0 DGAERO Cc1cccc(C2(C(=O)N(C)CCC[NH+](C)C)CCCC2)c1 ZINC000540515828 435606563 /nfs/dbraw/zinc/60/65/63/435606563.db2.gz NQBMNHAXXUXXQA-UHFFFAOYSA-N 1 0 302.462 3.217 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cncc(Br)c1 ZINC000570292242 435606841 /nfs/dbraw/zinc/60/68/41/435606841.db2.gz ILDDHNXYHHPHSK-ZWNOBZJWSA-N 1 0 313.239 3.452 10 0 DGAERO O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491276266 435724074 /nfs/dbraw/zinc/72/40/74/435724074.db2.gz DBIMQZXIKHMTNW-GJZGRUSLSA-N 1 0 313.363 3.341 10 0 DGAERO NC(=O)C[C@@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)c1cccc(Cl)c1 ZINC000549378051 435757873 /nfs/dbraw/zinc/75/78/73/435757873.db2.gz SOHWIHMPZIEXQA-ARFHVFGLSA-N 1 0 306.837 3.425 10 0 DGAERO CN(C(=O)c1cccc(O)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000572579630 435840799 /nfs/dbraw/zinc/84/07/99/435840799.db2.gz QDVSDWHVQAAQFX-UHFFFAOYSA-N 1 0 304.434 3.119 10 0 DGAERO c1sc2ccccc2c1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000572644666 435848827 /nfs/dbraw/zinc/84/88/27/435848827.db2.gz JIMOVQUSCWETGF-CQSZACIVSA-N 1 0 310.426 3.378 10 0 DGAERO Brc1ccc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656609880 435983202 /nfs/dbraw/zinc/98/32/02/435983202.db2.gz YVEBLXUYQXYSDW-CYBMUJFWSA-N 1 0 324.266 3.060 10 0 DGAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC(C2CCC2)CC1 ZINC000661376457 436049429 /nfs/dbraw/zinc/04/94/29/436049429.db2.gz KIUNUVNCVDNGBS-LJQANCHMSA-N 1 0 303.446 3.076 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cncc(Br)c1 ZINC000657888821 436334104 /nfs/dbraw/zinc/33/41/04/436334104.db2.gz QHYLUMKGVDCZAY-MISXGVKJSA-N 1 0 313.239 3.046 10 0 DGAERO Cc1ccccc1[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000112218555 302132806 /nfs/dbraw/zinc/13/28/06/302132806.db2.gz PQBWRVFNXLQWHI-RDJZCZTQSA-N 1 0 303.450 3.038 10 0 DGAERO Cc1nc2c(c(N3CCCC[C@H]([NH+]4CCCC4)C3)n1)CCCC2 ZINC000302067072 302648055 /nfs/dbraw/zinc/64/80/55/302648055.db2.gz WMXHEQSUIYGSPC-INIZCTEOSA-N 1 0 314.477 3.119 10 0 DGAERO FC(F)(F)CCN(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000261807553 303112808 /nfs/dbraw/zinc/11/28/08/303112808.db2.gz HKVGDQUGHCTPOX-OAHLLOKOSA-N 1 0 300.368 3.441 10 0 DGAERO CCC(CC)(CNC(=O)CSC)[NH2+][C@H](C)c1ccccc1 ZINC000171873420 312733802 /nfs/dbraw/zinc/73/38/02/312733802.db2.gz SFNLIEMMBRBWMF-CQSZACIVSA-N 1 0 308.491 3.375 10 0 DGAERO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C(C)C)c1 ZINC000178578510 312790876 /nfs/dbraw/zinc/79/08/76/312790876.db2.gz VOBYJUMNHTZULM-ZIAGYGMSSA-N 1 0 322.449 3.303 10 0 DGAERO OC[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(Br)c1 ZINC000178947457 312794242 /nfs/dbraw/zinc/79/42/42/312794242.db2.gz XGTSAIVQWRKANS-DOMZBBRYSA-N 1 0 310.235 3.428 10 0 DGAERO c1ccc2nc(CNC[C@@H]3CC[N@@H+]3C3CCCCC3)cnc2c1 ZINC000529638795 313245005 /nfs/dbraw/zinc/24/50/05/313245005.db2.gz BIWMIZDWGXOKEN-KRWDZBQOSA-N 1 0 310.445 3.126 10 0 DGAERO c1cc(CCC[NH2+]C[C@@H]2CCN2C2CCCC2)cc2c1OCC2 ZINC000529669326 313251156 /nfs/dbraw/zinc/25/11/56/313251156.db2.gz LRWZAORZLISPLW-IBGZPJMESA-N 1 0 314.473 3.161 10 0 DGAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2N[C@@H]1CC[NH2+]C12CCC2 ZINC000530214937 313340474 /nfs/dbraw/zinc/34/04/74/313340474.db2.gz DYHLWTLSQQNUIC-IEBWSBKVSA-N 1 0 322.456 3.124 10 0 DGAERO Brc1cccc2c1CC[C@@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC000530224172 313342855 /nfs/dbraw/zinc/34/28/55/313342855.db2.gz VAKSGMZXMCNJTQ-GJZGRUSLSA-N 1 0 321.262 3.311 10 0 DGAERO c1nn(-c2ccccn2)cc1-c1cccc(C[C@@H]2CC[NH2+]C2)c1 ZINC000530250451 313348078 /nfs/dbraw/zinc/34/80/78/313348078.db2.gz KHUCKFLTHSNLHC-INIZCTEOSA-N 1 0 304.397 3.086 10 0 DGAERO c1nn(-c2ccccn2)cc1-c1cccc(C[C@H]2CC[NH2+]C2)c1 ZINC000530250453 313348431 /nfs/dbraw/zinc/34/84/31/313348431.db2.gz KHUCKFLTHSNLHC-MRXNPFEDSA-N 1 0 304.397 3.086 10 0 DGAERO CN(CCC[NH+](C)C)C(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000530403652 313366112 /nfs/dbraw/zinc/36/61/12/313366112.db2.gz KTPGFAYVUOZOES-UHFFFAOYSA-N 1 0 314.832 3.167 10 0 DGAERO c1c[nH]c(C2CC[NH+](CCN3CCCc4ccccc43)CC2)n1 ZINC000536377736 313758181 /nfs/dbraw/zinc/75/81/81/313758181.db2.gz GFZXZUHSDXXZCD-UHFFFAOYSA-N 1 0 310.445 3.042 10 0 DGAERO CCOc1ccc(OCC[NH2+][C@H](COC)c2ccccc2)cc1 ZINC000537110726 313796653 /nfs/dbraw/zinc/79/66/53/313796653.db2.gz QMUZHGIKXHFYKS-LJQANCHMSA-N 1 0 315.413 3.441 10 0 DGAERO Cc1cc(O[C@@H](C)C(=O)N(C)CCC[NH+](C)C)ccc1C(C)C ZINC000537213870 313802104 /nfs/dbraw/zinc/80/21/04/313802104.db2.gz YDEPMQPXJWNHGR-INIZCTEOSA-N 1 0 320.477 3.296 10 0 DGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(SCC)cc2)C1 ZINC000539057340 313897190 /nfs/dbraw/zinc/89/71/90/313897190.db2.gz YRGAJOGNVSKZJE-ZFWWWQNUSA-N 1 0 321.490 3.253 10 0 DGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)C1 ZINC000539216698 313903429 /nfs/dbraw/zinc/90/34/29/313903429.db2.gz GWXHNIBJJNOPEK-HZPDHXFCSA-N 1 0 323.868 3.431 10 0 DGAERO COC[C@@H](O)C[NH2+][C@H](c1ccccc1C)[C@H]1CCC[C@@H](C)C1 ZINC000539727547 313926783 /nfs/dbraw/zinc/92/67/83/313926783.db2.gz ZUUGORXRDUYUOC-WMEZAQDKSA-N 1 0 305.462 3.459 10 0 DGAERO Cc1csc(NC(=O)C[NH2+][C@]2(C)CCCc3ccccc32)n1 ZINC000540907229 313983849 /nfs/dbraw/zinc/98/38/49/313983849.db2.gz YCZXRTBWUVHMPX-QGZVFWFLSA-N 1 0 315.442 3.231 10 0 DGAERO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@@H]1CC=CCC1 ZINC000541316631 314007212 /nfs/dbraw/zinc/00/72/12/314007212.db2.gz XGSXKVSLQJUMSO-OAHLLOKOSA-N 1 0 306.837 3.244 10 0 DGAERO CC[C@H]1CCC[C@@H](C[NH2+]Cc2n[nH]cc2Br)C1 ZINC000541374529 314011911 /nfs/dbraw/zinc/01/19/11/314011911.db2.gz OSELGCCNCDPCTI-WDEREUQCSA-N 1 0 300.244 3.478 10 0 DGAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000541539136 314021797 /nfs/dbraw/zinc/02/17/97/314021797.db2.gz UIDNCWJACKOTIW-KBAYOESNSA-N 1 0 300.446 3.376 10 0 DGAERO CC(C)[N@H+](C)CCN[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541742486 314035421 /nfs/dbraw/zinc/03/54/21/314035421.db2.gz ZIZMPMRYTXRQNU-KRWDZBQOSA-N 1 0 320.868 3.093 10 0 DGAERO COC(=O)CC1([NH2+]Cc2cc(OC)ccc2OC)CCCCC1 ZINC000541773293 314038048 /nfs/dbraw/zinc/03/80/48/314038048.db2.gz VACQRIWYQVODRO-UHFFFAOYSA-N 1 0 321.417 3.059 10 0 DGAERO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1)c1ccc(Cl)cc1 ZINC000541890130 314046328 /nfs/dbraw/zinc/04/63/28/314046328.db2.gz KFWALXPORHWAGG-INIZCTEOSA-N 1 0 318.804 3.078 10 0 DGAERO CCOc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000542254781 314065442 /nfs/dbraw/zinc/06/54/42/314065442.db2.gz QSLKHFLKSZLPHJ-HNNXBMFYSA-N 1 0 302.418 3.312 10 0 DGAERO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000543177196 314118413 /nfs/dbraw/zinc/11/84/13/314118413.db2.gz RQRSMVMPARBSJV-HZPDHXFCSA-N 1 0 319.449 3.190 10 0 DGAERO CN(C[C@H]1CC=CCC1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000543189137 314119293 /nfs/dbraw/zinc/11/92/93/314119293.db2.gz DIEDDLQRUJYLQT-INIZCTEOSA-N 1 0 307.482 3.249 10 0 DGAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000543351684 314128600 /nfs/dbraw/zinc/12/86/00/314128600.db2.gz YKFVGCXPZDRYPP-MSOLQXFVSA-N 1 0 321.509 3.496 10 0 DGAERO Cn1ccc([C@H]([NH2+]CC(C)(C)CCO)c2ccc(Cl)cc2)n1 ZINC000543592790 314143911 /nfs/dbraw/zinc/14/39/11/314143911.db2.gz YJQCTRJVSLCODB-MRXNPFEDSA-N 1 0 321.852 3.161 10 0 DGAERO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C/C=C\c1ccccc1 ZINC000543635880 314147594 /nfs/dbraw/zinc/14/75/94/314147594.db2.gz ORCOLYNJMKKZSK-CLOOOTJHSA-N 1 0 315.438 3.152 10 0 DGAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC000544134826 314175424 /nfs/dbraw/zinc/17/54/24/314175424.db2.gz SOKQOSCZHQDKSQ-MRXNPFEDSA-N 1 0 309.498 3.186 10 0 DGAERO C[C@@H](CCNC(=O)N(C)C[C@H]1CC=CCC1)[NH+]1CCCCC1 ZINC000544330958 314186023 /nfs/dbraw/zinc/18/60/23/314186023.db2.gz UNGHZDCSFUQYJS-IRXDYDNUSA-N 1 0 307.482 3.249 10 0 DGAERO Cc1cccc([C@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)c1C ZINC000545151178 314228887 /nfs/dbraw/zinc/22/88/87/314228887.db2.gz NSCAGMXZJAAXAW-KRWDZBQOSA-N 1 0 315.461 3.316 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)N(C)Cc2ccc(Cl)cc2)CC1 ZINC000547273000 314352060 /nfs/dbraw/zinc/35/20/60/314352060.db2.gz UMIBYNCWHGKZNW-UHFFFAOYSA-N 1 0 321.852 3.133 10 0 DGAERO CC1=CCN(CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000547271372 314352095 /nfs/dbraw/zinc/35/20/95/314352095.db2.gz GKJWEVDBLBROLC-UHFFFAOYSA-N 1 0 322.493 3.129 10 0 DGAERO COc1ccc(CC[C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000547276558 314352393 /nfs/dbraw/zinc/35/23/93/314352393.db2.gz GHPXEHBZGLFVSR-QGZVFWFLSA-N 1 0 302.462 3.258 10 0 DGAERO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000560175732 314905461 /nfs/dbraw/zinc/90/54/61/314905461.db2.gz VMLBWQJXHOLQJX-VQIMIIECSA-N 1 0 311.425 3.239 10 0 DGAERO c1ccc(OCCCCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562836893 315056433 /nfs/dbraw/zinc/05/64/33/315056433.db2.gz BODIDVWJEKDGIF-OALUTQOASA-N 1 0 302.462 3.452 10 0 DGAERO O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562979199 315066866 /nfs/dbraw/zinc/06/68/66/315066866.db2.gz VXMVCUICCXZCSP-HNNXBMFYSA-N 1 0 313.228 3.209 10 0 DGAERO Cn1cc(CC[NH2+]Cc2cnc(C3CCCCC3)s2)cn1 ZINC000564005523 315152452 /nfs/dbraw/zinc/15/24/52/315152452.db2.gz PIOQMJIIAPSVFM-UHFFFAOYSA-N 1 0 304.463 3.257 10 0 DGAERO C[C@@H](F)CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000564076119 315155504 /nfs/dbraw/zinc/15/55/04/315155504.db2.gz HWTOXMDHKWBXTA-NXEZZACHSA-N 1 0 310.196 3.071 10 0 DGAERO Cc1cc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)on1 ZINC000565262424 315248005 /nfs/dbraw/zinc/24/80/05/315248005.db2.gz LPEFSJLBFHYWRS-ZDUSSCGKSA-N 1 0 315.417 3.149 10 0 DGAERO Cc1cc(CC[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)on1 ZINC000565262423 315248047 /nfs/dbraw/zinc/24/80/47/315248047.db2.gz LPEFSJLBFHYWRS-CYBMUJFWSA-N 1 0 315.417 3.149 10 0 DGAERO c1c[nH]c([C@@H]([NH2+]C[C@H]2CC23CCSCC3)c2cccnc2)n1 ZINC000565768908 315286109 /nfs/dbraw/zinc/28/61/09/315286109.db2.gz VFHDXNRWLJKASJ-CABCVRRESA-N 1 0 314.458 3.017 10 0 DGAERO C[C@@H](C1CC1)n1cc(NC(=O)C2(C[NH+](C)C)CCCCC2)cn1 ZINC000568361528 315505560 /nfs/dbraw/zinc/50/55/60/315505560.db2.gz AHCZPWOIJVWNMU-AWEZNQCLSA-N 1 0 318.465 3.305 10 0 DGAERO c1ccc2c(c1)CCCN2CC[NH+]1CCC(OC2CCC2)CC1 ZINC000573075026 315838729 /nfs/dbraw/zinc/83/87/29/315838729.db2.gz XVACFPGHULADFL-UHFFFAOYSA-N 1 0 314.473 3.473 10 0 DGAERO c1csc([C@@H](C[NH2+][C@H]2CCCC23CC3)N2CCOCC2)c1 ZINC000573743058 315895956 /nfs/dbraw/zinc/89/59/56/315895956.db2.gz FACHHUWVKUGANR-ZBFHGGJFSA-N 1 0 306.475 3.044 10 0 DGAERO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)CCC[NH+](C)C ZINC000576646228 316152687 /nfs/dbraw/zinc/15/26/87/316152687.db2.gz BBDGMUDEPCZIBN-CVEARBPZSA-N 1 0 302.462 3.386 10 0 DGAERO C[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CN1CCOCC1 ZINC000180125785 323222192 /nfs/dbraw/zinc/22/21/92/323222192.db2.gz JMYPQRCKYAYGPV-KBXCAEBGSA-N 1 0 322.880 3.349 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)s2)C[C@@H]1N1CCOCC1 ZINC000180232125 323224292 /nfs/dbraw/zinc/22/42/92/323224292.db2.gz XFQDUGUTZPHESN-ZBFHGGJFSA-N 1 0 322.518 3.198 10 0 DGAERO C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)CCN1C ZINC000180424564 323229103 /nfs/dbraw/zinc/22/91/03/323229103.db2.gz HDLXIQXGOPXOAA-MAUKXSAKSA-N 1 0 312.461 3.002 10 0 DGAERO C[C@H]1C[C@H](N(C)C(=O)CCc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000181013930 323244201 /nfs/dbraw/zinc/24/42/01/323244201.db2.gz POZITPALFAXXSA-WMLDXEAASA-N 1 0 313.445 3.042 10 0 DGAERO CC1CC[NH+](CCCNC(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000181064451 323245042 /nfs/dbraw/zinc/24/50/42/323245042.db2.gz OCYNHHJHCZTGJN-UHFFFAOYSA-N 1 0 317.408 3.159 10 0 DGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181219856 323249583 /nfs/dbraw/zinc/24/95/83/323249583.db2.gz NBEAUKACXIOJDY-CQSZACIVSA-N 1 0 317.408 3.301 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181225928 323249704 /nfs/dbraw/zinc/24/97/04/323249704.db2.gz LCNBNJGKWCNMDI-DOTOQJQBSA-N 1 0 318.461 3.049 10 0 DGAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181883402 323273014 /nfs/dbraw/zinc/27/30/14/323273014.db2.gz XRJFGMIRMZMXFC-OAHLLOKOSA-N 1 0 317.477 3.242 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)C1(C)C ZINC000181961281 323276616 /nfs/dbraw/zinc/27/66/16/323276616.db2.gz OMXCNYNIOBHYNJ-BFHYXJOUSA-N 1 0 307.438 3.437 10 0 DGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N(CC(C)C)C2CC2)cc1F ZINC000182008440 323279713 /nfs/dbraw/zinc/27/97/13/323279713.db2.gz XZHZNSHSSZHFEK-ZDUSSCGKSA-N 1 0 322.424 3.132 10 0 DGAERO CNC(=O)c1ccc(C[N@H+](C)C[C@H](C)Cc2ccccc2)cc1 ZINC000182029196 323280251 /nfs/dbraw/zinc/28/02/51/323280251.db2.gz KYVRFOSAEYPKQH-MRXNPFEDSA-N 1 0 310.441 3.357 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000182047399 323280971 /nfs/dbraw/zinc/28/09/71/323280971.db2.gz FNLUZIADTFJBES-YVEFUNNKSA-N 1 0 301.434 3.476 10 0 DGAERO CCC[C@@H]1C[N@H+](C[C@@H](C)Cc2ccccc2)CCN1CCOC ZINC000182044144 323281350 /nfs/dbraw/zinc/28/13/50/323281350.db2.gz KCPJZDXPHPOMHO-AZUAARDMSA-N 1 0 318.505 3.298 10 0 DGAERO CCC1(CC)[C@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)C[C@H]1OC ZINC000182054111 323282305 /nfs/dbraw/zinc/28/23/05/323282305.db2.gz ZIMYITCRKXAVKM-VXGBXAGGSA-N 1 0 319.371 3.122 10 0 DGAERO CC(C)C(=O)NCCC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182169342 323285755 /nfs/dbraw/zinc/28/57/55/323285755.db2.gz MQHMSZNMJCMAOA-INIZCTEOSA-N 1 0 312.404 3.414 10 0 DGAERO CCNC(=O)C(C)(C)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182203875 323287175 /nfs/dbraw/zinc/28/71/75/323287175.db2.gz NEEDCGDBEWBKOJ-HNNXBMFYSA-N 1 0 312.404 3.414 10 0 DGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)CCCC(C)C)C2=O)n(C)n1 ZINC000182336971 323294433 /nfs/dbraw/zinc/29/44/33/323294433.db2.gz MCLNOEXUPOPNNS-GOEBONIOSA-N 1 0 320.481 3.028 10 0 DGAERO COc1ccc([C@@H](C)C[NH2+]C[C@H](C)Cn2ccnc2C)cc1 ZINC000182461892 323299831 /nfs/dbraw/zinc/29/98/31/323299831.db2.gz LDIBKYLMGJESAF-GJZGRUSLSA-N 1 0 301.434 3.230 10 0 DGAERO CC[N@H+](CCNC(=O)Nc1ccc(C(C)=O)c(Cl)c1)C1CC1 ZINC000182529412 323304092 /nfs/dbraw/zinc/30/40/92/323304092.db2.gz DHCJERLCNWUSJW-UHFFFAOYSA-N 1 0 323.824 3.148 10 0 DGAERO CC(C)[N@H+](CCc1nccs1)C[C@H](O)CCc1ccccc1 ZINC000182566448 323305078 /nfs/dbraw/zinc/30/50/78/323305078.db2.gz DHWCURWXKUJPMI-QGZVFWFLSA-N 1 0 318.486 3.390 10 0 DGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000182594979 323306049 /nfs/dbraw/zinc/30/60/49/323306049.db2.gz ZHEUXNWFHSIDFA-ARFHVFGLSA-N 1 0 302.466 3.298 10 0 DGAERO Cn1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(C2CCCCC2)n1 ZINC000183021974 323320082 /nfs/dbraw/zinc/32/00/82/323320082.db2.gz BMWBUFMLISRKAH-GOSISDBHSA-N 1 0 316.493 3.138 10 0 DGAERO C[C@@H](O)C1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183038541 323321069 /nfs/dbraw/zinc/32/10/69/323321069.db2.gz BMEVLXDKBZDBBR-CQSZACIVSA-N 1 0 305.466 3.061 10 0 DGAERO CCOc1c(F)cccc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183122947 323326629 /nfs/dbraw/zinc/32/66/29/323326629.db2.gz RBAIXUAKTCMTMK-CQSZACIVSA-N 1 0 322.424 3.219 10 0 DGAERO CCc1cccc(CC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183169215 323328759 /nfs/dbraw/zinc/32/87/59/323328759.db2.gz PJOMXTPHFTZUPO-MRXNPFEDSA-N 1 0 302.462 3.172 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000183201760 323329508 /nfs/dbraw/zinc/32/95/08/323329508.db2.gz HVSQULLOLJSQLB-DOTOQJQBSA-N 1 0 305.462 3.466 10 0 DGAERO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc(F)c1F ZINC000183243611 323330566 /nfs/dbraw/zinc/33/05/66/323330566.db2.gz BFSQFDATVHSQLB-GFCCVEGCSA-N 1 0 304.340 3.045 10 0 DGAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000183474805 323338979 /nfs/dbraw/zinc/33/89/79/323338979.db2.gz SNNSBIKATZEIMU-GOSISDBHSA-N 1 0 301.409 3.386 10 0 DGAERO CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCCSC3)cc2)n1 ZINC000183596493 323342425 /nfs/dbraw/zinc/34/24/25/323342425.db2.gz RNLQBXMUUOQCRV-OAHLLOKOSA-N 1 0 317.458 3.327 10 0 DGAERO CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCn1ccnn1)CCCO2 ZINC000184274242 323360763 /nfs/dbraw/zinc/36/07/63/323360763.db2.gz WVHOFDBPXJJOBH-QGZVFWFLSA-N 1 0 314.433 3.295 10 0 DGAERO COc1ccccc1[C@H]([NH2+]CCCn1ccnn1)C1CCCC1 ZINC000184270420 323361108 /nfs/dbraw/zinc/36/11/08/323361108.db2.gz BFXZSRYLNHHODG-GOSISDBHSA-N 1 0 314.433 3.198 10 0 DGAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1(c2ccccc2)CCCC1 ZINC000185951991 323398752 /nfs/dbraw/zinc/39/87/52/323398752.db2.gz OVUMWKRVKVUFTJ-OAHLLOKOSA-N 1 0 302.462 3.391 10 0 DGAERO COC[C@@H](C)C[NH2+]Cc1ccnc(Oc2ccc(OC)cc2)c1 ZINC000187682594 323417768 /nfs/dbraw/zinc/41/77/68/323417768.db2.gz WJEWJDLVOVJNSC-AWEZNQCLSA-N 1 0 316.401 3.255 10 0 DGAERO COC[C@H](C)C[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000188094375 323422397 /nfs/dbraw/zinc/42/23/97/323422397.db2.gz AOORQMJBOGTKRN-NEPJUHHUSA-N 1 0 316.239 3.089 10 0 DGAERO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192573051 323455151 /nfs/dbraw/zinc/45/51/51/323455151.db2.gz PXOCQOZBJQMQEE-CHWSQXEVSA-N 1 0 322.499 3.364 10 0 DGAERO CC(C)[C@@H](C)[NH2+]Cc1cccc(I)c1 ZINC000379483363 323608797 /nfs/dbraw/zinc/60/87/97/323608797.db2.gz FMZXFACENOIUCP-SNVBAGLBSA-N 1 0 303.187 3.425 10 0 DGAERO Cc1cc(C[NH2+][C@H]2CCC[C@H](CO)C2)ccc1Br ZINC000380682108 323613306 /nfs/dbraw/zinc/61/33/06/323613306.db2.gz QTTPAJNTEDIWFH-KBPBESRZSA-N 1 0 312.251 3.398 10 0 DGAERO O[C@@H](C[NH2+]CCCCF)COc1cc(Cl)ccc1Cl ZINC000388256296 323649908 /nfs/dbraw/zinc/64/99/08/323649908.db2.gz JQFCVIZNXMQHDV-NSHDSACASA-N 1 0 310.196 3.072 10 0 DGAERO C[C@H](CC(=O)N(C)CCC[NH+](C)C)c1c[nH]c2ccccc21 ZINC000580869514 324047768 /nfs/dbraw/zinc/04/77/68/324047768.db2.gz ADFIXSUOZDSCJK-CQSZACIVSA-N 1 0 301.434 3.072 10 0 DGAERO C[C@@H](CC(=O)N(C)CCC[NH+](C)C)c1c[nH]c2ccccc21 ZINC000580869510 324047839 /nfs/dbraw/zinc/04/78/39/324047839.db2.gz ADFIXSUOZDSCJK-AWEZNQCLSA-N 1 0 301.434 3.072 10 0 DGAERO Fc1ccc(-c2nnc(C[NH2+][C@H]3CC[C@H]3C3CCC3)[nH]2)cc1 ZINC000581083958 324072863 /nfs/dbraw/zinc/07/28/63/324072863.db2.gz QJQVTYDMAZXVFQ-GJZGRUSLSA-N 1 0 300.381 3.279 10 0 DGAERO c1nc(-c2ccccc2)sc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581251393 324095670 /nfs/dbraw/zinc/09/56/70/324095670.db2.gz PNRYMVGEGGTHRX-GOSISDBHSA-N 1 0 313.470 3.386 10 0 DGAERO c1ccc(CN2CC[C@@H]([NH2+]CCc3ccccn3)CC23CC3)cc1 ZINC000581369096 324110663 /nfs/dbraw/zinc/11/06/63/324110663.db2.gz DSAKPXALGBAWRT-HXUWFJFHSA-N 1 0 321.468 3.411 10 0 DGAERO CC1=CC[N@H+](CCNC(=O)Nc2nc(C(C)(C)C)cs2)CC1 ZINC000582055617 324183116 /nfs/dbraw/zinc/18/31/16/324183116.db2.gz YJOXRTORRKLVBO-UHFFFAOYSA-N 1 0 322.478 3.214 10 0 DGAERO CCCCCCOc1ccc2nc(NC(N)=[NH2+])nc(C)c2c1 ZINC000584604932 337371446 /nfs/dbraw/zinc/37/14/46/337371446.db2.gz IZIUPRNAFCWFJK-UHFFFAOYSA-N 1 0 301.394 3.203 10 0 DGAERO O=C(Nc1ccc(C[C@@H]2CC[NH2+]2)cc1)c1ccc(Cl)cc1 ZINC000584592787 337373573 /nfs/dbraw/zinc/37/35/73/337373573.db2.gz QGTJHIPEHQOXPO-INIZCTEOSA-N 1 0 300.789 3.497 10 0 DGAERO C[NH2+]Cc1ccccc1[C@H](O)c1ccc(Br)cc1 ZINC000584596977 337374305 /nfs/dbraw/zinc/37/43/05/337374305.db2.gz TVVVCZOUPZWBAU-OAHLLOKOSA-N 1 0 306.203 3.250 10 0 DGAERO C[NH+](C)CCOc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000584636407 337376088 /nfs/dbraw/zinc/37/60/88/337376088.db2.gz ZQHBFNHUOUQIOQ-UHFFFAOYSA-N 1 0 309.365 3.400 10 0 DGAERO CC[C@@H](C)[N@H+](C)CCNCc1cc(F)cc(Br)c1 ZINC000219691059 1178025107 /nfs/dbraw/zinc/02/51/07/1178025107.db2.gz RYKWZGVMXPPRMS-LLVKDONJSA-N 1 0 317.246 3.408 10 0 DGAERO CC(=O)[C@H](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448433827 500591107 /nfs/dbraw/zinc/59/11/07/500591107.db2.gz OCSDUNKGLOSZBR-AEFFLSMTSA-N 1 0 324.509 3.256 10 0 DGAERO CC1(C)CCCC[C@@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000157238905 500638151 /nfs/dbraw/zinc/63/81/51/500638151.db2.gz GGVTUWIQNUGMOS-KRWDZBQOSA-N 1 0 321.509 3.473 10 0 DGAERO C[C@H](CCO)CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000295061587 533962385 /nfs/dbraw/zinc/96/23/85/533962385.db2.gz GOLZLEDILBZEPJ-JTQLQIEISA-N 1 0 304.203 3.086 10 0 DGAERO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000181511542 533977915 /nfs/dbraw/zinc/97/79/15/533977915.db2.gz JDEKPWHABOOQKK-KKUMJFAQSA-N 1 0 312.413 3.309 10 0 DGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000173575553 534094889 /nfs/dbraw/zinc/09/48/89/534094889.db2.gz SACMLLWTJOGCPI-ONGXEEELSA-N 1 0 315.339 3.050 10 0 DGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CCC(=O)OC(C)C ZINC000173586227 534123722 /nfs/dbraw/zinc/12/37/22/534123722.db2.gz XYQUPICZKIBQCB-MRXNPFEDSA-N 1 0 305.418 3.044 10 0 DGAERO FC(F)(F)COCCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000173839821 534390802 /nfs/dbraw/zinc/39/08/02/534390802.db2.gz TZVXSPMRSBZYBC-AWEZNQCLSA-N 1 0 309.372 3.379 10 0 DGAERO FC(F)(F)Cc1noc(C[NH2+]C2C3CC4CC(C3)CC2C4)n1 ZINC000328775567 534398407 /nfs/dbraw/zinc/39/84/07/534398407.db2.gz KRALGOLKAFYTNI-UHFFFAOYSA-N 1 0 315.339 3.089 10 0 DGAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000163341754 519457484 /nfs/dbraw/zinc/45/74/84/519457484.db2.gz NQYBBWAKKMWKQF-GFCCVEGCSA-N 1 0 308.388 3.344 10 0 DGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157926434 520217029 /nfs/dbraw/zinc/21/70/29/520217029.db2.gz YUCRNHSUGALLAI-HIFRSBDPSA-N 1 0 322.497 3.292 10 0 DGAERO CCCC[N@H+](CCO)Cc1ccc(Br)cc1OC ZINC000182042200 520522886 /nfs/dbraw/zinc/52/28/86/520522886.db2.gz CUOHXBYQOGHASF-UHFFFAOYSA-N 1 0 316.239 3.052 10 0 DGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157699744 521592479 /nfs/dbraw/zinc/59/24/79/521592479.db2.gz OUCYZQUIRUJIIR-OCCSQVGLSA-N 1 0 322.497 3.290 10 0 DGAERO C[NH+](C)Cc1cccc(C(=O)NCCCc2cccc(F)c2)c1 ZINC000156347816 521917050 /nfs/dbraw/zinc/91/70/50/521917050.db2.gz DUCSMPVZKXPODS-UHFFFAOYSA-N 1 0 314.404 3.250 10 0 DGAERO C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]1CCCO1 ZINC000156228828 523215789 /nfs/dbraw/zinc/21/57/89/523215789.db2.gz PAWQWKFABFLFSG-MRXNPFEDSA-N 1 0 305.418 3.253 10 0 DGAERO CC[C@@](C)(CCO)[NH2+]Cc1ccc(Br)cc1OC ZINC000180959564 523637543 /nfs/dbraw/zinc/63/75/43/523637543.db2.gz YBFSOAWCZRCILX-AWEZNQCLSA-N 1 0 316.239 3.098 10 0 DGAERO CCc1cc(NCC2CC[NH2+]CC2)nc(Nc2ccccc2)n1 ZINC000045947941 523822034 /nfs/dbraw/zinc/82/20/34/523822034.db2.gz OYTRNRACVLNOKC-UHFFFAOYSA-N 1 0 311.433 3.194 10 0 DGAERO CCc1cc(NCC2CC[NH2+]CC2)nc(-c2cccc(F)c2)n1 ZINC000070455992 523822202 /nfs/dbraw/zinc/82/22/02/523822202.db2.gz ZDXPNHNPELQWIY-UHFFFAOYSA-N 1 0 314.408 3.257 10 0 DGAERO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000172170113 534808807 /nfs/dbraw/zinc/80/88/07/534808807.db2.gz PREMBCXLWKLQQL-HZPDHXFCSA-N 1 0 302.462 3.211 10 0 DGAERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccncc1 ZINC000156766117 525683912 /nfs/dbraw/zinc/68/39/12/525683912.db2.gz HJJJZHIEBRITBP-OCCSQVGLSA-N 1 0 302.809 3.060 10 0 DGAERO Cc1csc(C2CC[NH+]([C@@H](C)C(=O)N3CCCCC3)CC2)n1 ZINC000157833337 526332872 /nfs/dbraw/zinc/33/28/72/526332872.db2.gz MYJYYQGNQCWMQA-AWEZNQCLSA-N 1 0 321.490 3.032 10 0 DGAERO c1ncn(C2CC[NH+](CCOc3cccc4ccccc43)CC2)n1 ZINC000156645429 526614770 /nfs/dbraw/zinc/61/47/70/526614770.db2.gz LNHDLWWQNOENNO-UHFFFAOYSA-N 1 0 322.412 3.147 10 0 DGAERO c1sc(C2CC2)nc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000161727742 526631043 /nfs/dbraw/zinc/63/10/43/526631043.db2.gz ABXAZHJVJTZLOD-INIZCTEOSA-N 1 0 305.491 3.471 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000153677845 527123040 /nfs/dbraw/zinc/12/30/40/527123040.db2.gz MHYIJXVQQGKRPR-INIZCTEOSA-N 1 0 310.482 3.010 10 0 DGAERO CC(=O)[C@@H](C)CCCCC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000432493391 527123119 /nfs/dbraw/zinc/12/31/19/527123119.db2.gz LNIBXGGJOQSLEX-HNNXBMFYSA-N 1 0 310.482 3.009 10 0 DGAERO CC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000295036860 527276296 /nfs/dbraw/zinc/27/62/96/527276296.db2.gz WFYJWJZASBZFFA-KRWDZBQOSA-N 1 0 324.428 3.195 10 0 DGAERO Cc1ncc([C@@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)s1 ZINC000090417921 527305237 /nfs/dbraw/zinc/30/52/37/527305237.db2.gz NNORDNBVPDHMOV-CYBMUJFWSA-N 1 0 316.474 3.475 10 0 DGAERO CC(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000415446612 527309425 /nfs/dbraw/zinc/30/94/25/527309425.db2.gz KERKOVIFQSPPRT-CQSZACIVSA-N 1 0 323.824 3.052 10 0 DGAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000237909027 527356791 /nfs/dbraw/zinc/35/67/91/527356791.db2.gz BKYAWHCBQPSEIY-NWDGAFQWSA-N 1 0 307.463 3.258 10 0 DGAERO CC(=O)c1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000294892223 527357500 /nfs/dbraw/zinc/35/75/00/527357500.db2.gz GJDDWJHSVNRZFR-MOPGFXCFSA-N 1 0 300.446 3.336 10 0 DGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2scnc2-c2ccccc2)C1 ZINC000154545291 527406041 /nfs/dbraw/zinc/40/60/41/527406041.db2.gz HZWTXKFOOIYACY-STQMWFEESA-N 1 0 301.415 3.266 10 0 DGAERO C(c1nc(C2CCCC2)no1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000154059820 527495591 /nfs/dbraw/zinc/49/55/91/527495591.db2.gz WVLHBGKMCKTURP-INIZCTEOSA-N 1 0 318.465 3.178 10 0 DGAERO COc1ccc(C[C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)cc1 ZINC000468554296 536525078 /nfs/dbraw/zinc/52/50/78/536525078.db2.gz NTLUQWXZUXFOFD-AWEZNQCLSA-N 1 0 307.434 3.338 10 0 DGAERO CC1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000177354942 527957464 /nfs/dbraw/zinc/95/74/64/527957464.db2.gz YVDUUPOAXZTDPE-CQSZACIVSA-N 1 0 321.490 3.374 10 0 DGAERO CC[NH+](CC)CCC[C@H](C)Nc1nc([C@H](C)OC)ns1 ZINC000312325685 528118938 /nfs/dbraw/zinc/11/89/38/528118938.db2.gz IDEVJFWGZHKIEA-RYUDHWBXSA-N 1 0 300.472 3.168 10 0 DGAERO CC(C)COc1ccc([C@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1 ZINC000177765636 528164596 /nfs/dbraw/zinc/16/45/96/528164596.db2.gz RKAPJKLBEWPJMV-AWEZNQCLSA-N 1 0 306.450 3.287 10 0 DGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc([C@@H](C)OC)c2)C1 ZINC000175962303 528254646 /nfs/dbraw/zinc/25/46/46/528254646.db2.gz WOBCRPYJAWNJNA-RHSMWYFYSA-N 1 0 319.449 3.342 10 0 DGAERO CCCC[NH+]1CCC(NC(=O)CCCC[C@H](C)C(C)=O)CC1 ZINC000155004410 528455529 /nfs/dbraw/zinc/45/55/29/528455529.db2.gz NTNFIVORCFXSFA-HNNXBMFYSA-N 1 0 310.482 3.153 10 0 DGAERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCC12CCC2 ZINC000445094969 528468948 /nfs/dbraw/zinc/46/89/48/528468948.db2.gz UGKQOTXKXNOXGR-INIZCTEOSA-N 1 0 307.482 3.369 10 0 DGAERO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc2c(c1)nnn2C ZINC000442877346 528763280 /nfs/dbraw/zinc/76/32/80/528763280.db2.gz AVALBMARWZUMCB-UHFFFAOYSA-N 1 0 319.412 3.472 10 0 DGAERO CC(C)[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175297228 528968544 /nfs/dbraw/zinc/96/85/44/528968544.db2.gz UJRRQMGUGUYVOZ-BQFCYCMXSA-N 1 0 317.477 3.383 10 0 DGAERO CCS[C@@H](C)c1noc(C[N@H+](C(C)C)C2CCOCC2)n1 ZINC000137604817 529203991 /nfs/dbraw/zinc/20/39/91/529203991.db2.gz UXEAFXKQNIUXPQ-LBPRGKRZSA-N 1 0 313.467 3.273 10 0 DGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1ccc(C)s1 ZINC000176026490 529303330 /nfs/dbraw/zinc/30/33/30/529303330.db2.gz GWZYHGJBLOSKBV-JKSUJKDBSA-N 1 0 320.502 3.464 10 0 DGAERO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCCC(F)(F)C1)C(C)C ZINC000494404877 535054590 /nfs/dbraw/zinc/05/45/90/535054590.db2.gz LCOAHQUGCQHUOR-CQSZACIVSA-N 1 0 319.440 3.372 10 0 DGAERO CCC[C@@H](C(=O)NCc1cccc(-c2ccccn2)c1)[NH+](C)C ZINC000164152102 535317173 /nfs/dbraw/zinc/31/71/73/535317173.db2.gz PEULLZRJQREMLJ-SFHVURJKSA-N 1 0 311.429 3.095 10 0 DGAERO CCO[C@@H](CC(=O)N1CCC(C[NH+](CC)CC)CC1)C(C)C ZINC000471769781 535738572 /nfs/dbraw/zinc/73/85/72/535738572.db2.gz LIFQKFRBSSXIQI-KRWDZBQOSA-N 1 0 312.498 3.018 10 0 DGAERO CCn1nncc1C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000459393832 535928481 /nfs/dbraw/zinc/92/84/81/535928481.db2.gz FXJPEYTYXXPHLW-IUIKQTSFSA-N 1 0 304.825 3.438 10 0 DGAERO COC(=O)[C@H](C1CC1)[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483123684 536645904 /nfs/dbraw/zinc/64/59/04/536645904.db2.gz SZLYMOLHGJGLTH-INIZCTEOSA-N 1 0 307.821 3.471 10 0 DGAERO COC1([C@@H](C)[NH2+]CCc2c[nH]c3cc(C)ccc23)CCOCC1 ZINC000453094841 536707414 /nfs/dbraw/zinc/70/74/14/536707414.db2.gz WFAGLDDUQYZPAY-OAHLLOKOSA-N 1 0 316.445 3.193 10 0 DGAERO Cc1cc(CN[C@@H]2CCOc3ccc(Br)cc32)on1 ZINC000044987220 545679620 /nfs/dbraw/zinc/67/96/20/545679620.db2.gz ODGDPZLFBOUTOA-CYBMUJFWSA-N 1 0 323.190 3.359 10 0 DGAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052034717 545692454 /nfs/dbraw/zinc/69/24/54/545692454.db2.gz WMXHANKLCBKDEW-SJORKVTESA-N 1 0 309.425 3.009 10 0 DGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(Cl)c2ncccc12 ZINC000054307420 545698815 /nfs/dbraw/zinc/69/88/15/545698815.db2.gz BXZBVHIFJUOBMY-LLVKDONJSA-N 1 0 303.793 3.216 10 0 DGAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000079515158 545758415 /nfs/dbraw/zinc/75/84/15/545758415.db2.gz JMZWVSVTFIQWCE-IINYFYTJSA-N 1 0 300.324 3.025 10 0 DGAERO CC(C)C[C@H](C[NH3+])CC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000088276838 545808721 /nfs/dbraw/zinc/80/87/21/545808721.db2.gz NDBPSLSBQXQZHT-HIFPTAJRSA-N 1 0 308.388 3.235 10 0 DGAERO Cc1cc(Br)ccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089448911 545814096 /nfs/dbraw/zinc/81/40/96/545814096.db2.gz DQVSHIPLWBNFJF-PWSUYJOCSA-N 1 0 311.223 3.071 10 0 DGAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000089449904 545814884 /nfs/dbraw/zinc/81/48/84/545814884.db2.gz LXJRVINRINMVHP-YPMHNXCESA-N 1 0 315.244 3.027 10 0 DGAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455985 545815010 /nfs/dbraw/zinc/81/50/10/545815010.db2.gz QFTNTKDLPBOBFC-MFKMUULPSA-N 1 0 315.244 3.327 10 0 DGAERO O=C(C[C@H]1CC[NH2+]C1)N(Cc1cccs1)Cc1cccs1 ZINC000089744024 545819601 /nfs/dbraw/zinc/81/96/01/545819601.db2.gz ZVJPPPVOPBRKQY-CYBMUJFWSA-N 1 0 320.483 3.338 10 0 DGAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000091548040 545836935 /nfs/dbraw/zinc/83/69/35/545836935.db2.gz MFKAKZAJDFJXQZ-UWVGGRQHSA-N 1 0 318.364 3.407 10 0 DGAERO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(Cl)c1 ZINC000111245384 545872225 /nfs/dbraw/zinc/87/22/25/545872225.db2.gz KTVYPLKJEPAVDH-ZANVPECISA-N 1 0 320.742 3.059 10 0 DGAERO Cc1ccc(CCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123799506 545908987 /nfs/dbraw/zinc/90/89/87/545908987.db2.gz HOTYJVQITXKZPZ-AEFFLSMTSA-N 1 0 302.462 3.259 10 0 DGAERO Cc1noc(C2CC2)c1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129578065 545943451 /nfs/dbraw/zinc/94/34/51/545943451.db2.gz FVJSKTVWPLHKFB-UHFFFAOYSA-N 1 0 320.437 3.102 10 0 DGAERO C[C@@H](NC(=O)NCC[NH+](C)C)c1ccc(-c2ccccc2)cc1 ZINC000133340630 545967677 /nfs/dbraw/zinc/96/76/77/545967677.db2.gz GAQAXJVLYNSLPF-OAHLLOKOSA-N 1 0 311.429 3.275 10 0 DGAERO c1ccc(SCC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152535293 546004058 /nfs/dbraw/zinc/00/40/58/546004058.db2.gz RJJMQNSEGUPKSF-MRXNPFEDSA-N 1 0 300.427 3.327 10 0 DGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCc3ccc(F)cc31)CC2 ZINC000175005081 546110255 /nfs/dbraw/zinc/11/02/55/546110255.db2.gz NOYBSGZTGGAXQH-GDBMZVCRSA-N 1 0 314.408 3.133 10 0 DGAERO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)COCc1ccccc1 ZINC000178064788 546126176 /nfs/dbraw/zinc/12/61/76/546126176.db2.gz UJTOMMUPHVROAV-PXNSSMCTSA-N 1 0 313.441 3.439 10 0 DGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000178332520 546129240 /nfs/dbraw/zinc/12/92/40/546129240.db2.gz HOSQZOPPUXNONJ-INIZCTEOSA-N 1 0 321.428 3.108 10 0 DGAERO CC(C)CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179270482 546134924 /nfs/dbraw/zinc/13/49/24/546134924.db2.gz KMTXCOHJJJQCLK-DLBZAZTESA-N 1 0 303.450 3.119 10 0 DGAERO COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3c[nH]nc3C)C2)c1 ZINC000180565998 546146703 /nfs/dbraw/zinc/14/67/03/546146703.db2.gz WWMZKISPDUXQLM-ZFWWWQNUSA-N 1 0 314.433 3.046 10 0 DGAERO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000181343825 546155375 /nfs/dbraw/zinc/15/53/75/546155375.db2.gz QXJFOSNMMOJUQD-ZDUSSCGKSA-N 1 0 320.433 3.471 10 0 DGAERO C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000181608371 546158320 /nfs/dbraw/zinc/15/83/20/546158320.db2.gz QPCVPZDQEZYBSW-QWRGUYRKSA-N 1 0 323.380 3.037 10 0 DGAERO CC(C)CCOc1ccc([C@H](C)[NH2+]CC(=O)N(C)C2CC2)cc1 ZINC000181735913 546160892 /nfs/dbraw/zinc/16/08/92/546160892.db2.gz YIXBCUWVWVVUIH-HNNXBMFYSA-N 1 0 318.461 3.383 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCCCOC1CCCCC1)c1cccs1 ZINC000182546352 546165585 /nfs/dbraw/zinc/16/55/85/546165585.db2.gz UBRYDMQQXITXIQ-AWEZNQCLSA-N 1 0 324.490 3.254 10 0 DGAERO C[C@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1cccs1 ZINC000182560927 546166103 /nfs/dbraw/zinc/16/61/03/546166103.db2.gz HHJBCTUHSAFIGN-QLFBSQMISA-N 1 0 324.490 3.110 10 0 DGAERO CC[C@@H]1CCC[C@H](C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)C1 ZINC000182933460 546169734 /nfs/dbraw/zinc/16/97/34/546169734.db2.gz RYXVNUDUTAPAAS-SJORKVTESA-N 1 0 320.481 3.102 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(CC)cc2)C12CCOCC2 ZINC000186346132 546194055 /nfs/dbraw/zinc/19/40/55/546194055.db2.gz RFYFYJGSGJNZHQ-RTBURBONSA-N 1 0 317.473 3.355 10 0 DGAERO COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1Cl ZINC000188413937 546205376 /nfs/dbraw/zinc/20/53/76/546205376.db2.gz SBRYCEWRYCYRLC-CQSZACIVSA-N 1 0 305.809 3.210 10 0 DGAERO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cccc3cnccc32)cc1 ZINC000188982299 546208828 /nfs/dbraw/zinc/20/88/28/546208828.db2.gz PDBNGLDCPJHZET-IBGZPJMESA-N 1 0 306.409 3.236 10 0 DGAERO Cc1c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)ccn1C ZINC000192554295 546233243 /nfs/dbraw/zinc/23/32/43/546233243.db2.gz ZMLDHEAFWPCEIR-UHFFFAOYSA-N 1 0 317.477 3.062 10 0 DGAERO COc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1F ZINC000192661831 546235004 /nfs/dbraw/zinc/23/50/04/546235004.db2.gz WZVITJLXFNNDPY-GFCCVEGCSA-N 1 0 317.360 3.456 10 0 DGAERO OC1CCC(C[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000227616817 546269011 /nfs/dbraw/zinc/26/90/11/546269011.db2.gz OGYXJRVUSRVUDS-UHFFFAOYSA-N 1 0 316.214 3.229 10 0 DGAERO CC[C@@H]([NH3+])c1cn(CCOc2c(Cl)cccc2Cl)nn1 ZINC000229936758 546272887 /nfs/dbraw/zinc/27/28/87/546272887.db2.gz PMQHAFCHZAWKSR-LLVKDONJSA-N 1 0 315.204 3.074 10 0 DGAERO COc1ccccc1/C=C/C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245792738 546299716 /nfs/dbraw/zinc/29/97/16/546299716.db2.gz WLSBIPLZFZPVCB-ANKMQFCJSA-N 1 0 301.430 3.335 10 0 DGAERO CO[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(F)cc1 ZINC000245938637 546300707 /nfs/dbraw/zinc/30/07/07/546300707.db2.gz UKKAZUCXGZVSQT-BSDSXHPESA-N 1 0 319.420 3.451 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(C)cc2F)[C@@H](C)C1 ZINC000246532263 546304935 /nfs/dbraw/zinc/30/49/35/546304935.db2.gz LGRPLTDBTDUTSH-LRDDRELGSA-N 1 0 310.388 3.076 10 0 DGAERO Brc1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250089064 546328104 /nfs/dbraw/zinc/32/81/04/546328104.db2.gz WBHQONHIBCSBPY-GDBMZVCRSA-N 1 0 323.278 3.413 10 0 DGAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000252455961 546331690 /nfs/dbraw/zinc/33/16/90/546331690.db2.gz BLVOUGAXHVXLBT-NFAWXSAZSA-N 1 0 310.235 3.330 10 0 DGAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[C@@H]1c1ccccc1 ZINC000261631143 546337756 /nfs/dbraw/zinc/33/77/56/546337756.db2.gz BURPDNXMICDIGN-OQIJWPOYSA-N 1 0 314.473 3.404 10 0 DGAERO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312606342 546453151 /nfs/dbraw/zinc/45/31/51/546453151.db2.gz RJMKYNDXRWLNAS-GYKQLYQFSA-N 1 0 300.276 3.302 10 0 DGAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1ccc(F)c(Cl)c1 ZINC000305108411 546442642 /nfs/dbraw/zinc/44/26/42/546442642.db2.gz DUZMSBVUUZLSJN-SNVBAGLBSA-N 1 0 303.830 3.388 10 0 DGAERO C[C@H]([NH2+]CC1(O)CCSCC1)c1ccc(F)cc1Cl ZINC000305154617 546443605 /nfs/dbraw/zinc/44/36/05/546443605.db2.gz VGZNUKYFPQYPDN-JTQLQIEISA-N 1 0 303.830 3.388 10 0 DGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000312278949 546453346 /nfs/dbraw/zinc/45/33/46/546453346.db2.gz SHIHYTSFIVHOGX-HZMBPMFUSA-N 1 0 316.214 3.229 10 0 DGAERO CCCc1cnc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000333198007 546503944 /nfs/dbraw/zinc/50/39/44/546503944.db2.gz WTDFWHNARMPZOX-UHFFFAOYSA-N 1 0 322.478 3.093 10 0 DGAERO Cc1ccnc(-c2noc(C[N@@H+]3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)n2)c1 ZINC000333681345 546509607 /nfs/dbraw/zinc/50/96/07/546509607.db2.gz LHLIIZVBSGAXHD-QZNHQWIBSA-N 1 0 324.428 3.308 10 0 DGAERO CC(C)[C@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c2ccccc21 ZINC000333828397 546512646 /nfs/dbraw/zinc/51/26/46/546512646.db2.gz SHSGKSGNGKQPMN-LTCOOKNTSA-N 1 0 315.461 3.311 10 0 DGAERO CN(C(=O)NC1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390783118 546756043 /nfs/dbraw/zinc/75/60/43/546756043.db2.gz UHAWZQSVFLHCQG-SFHVURJKSA-N 1 0 315.461 3.235 10 0 DGAERO CC1(C)C[C@H]([NH2+]Cc2cccc(F)c2Br)CO1 ZINC000396529817 546761954 /nfs/dbraw/zinc/76/19/54/546761954.db2.gz YSQVYRKEDYIGMP-JTQLQIEISA-N 1 0 302.187 3.245 10 0 DGAERO Clc1ccc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)cc1Cl ZINC000404627102 546767531 /nfs/dbraw/zinc/76/75/31/546767531.db2.gz SCWHSKWJOYWEKA-LLVKDONJSA-N 1 0 311.216 3.100 10 0 DGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(O)c2ccccc2c1 ZINC000471751021 546901732 /nfs/dbraw/zinc/90/17/32/546901732.db2.gz PAZYECDTAWSMLU-AWEZNQCLSA-N 1 0 312.413 3.150 10 0 DGAERO COC[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1)OC ZINC000512279338 546950760 /nfs/dbraw/zinc/95/07/60/546950760.db2.gz MHZKCKQPNXLPIF-OALUTQOASA-N 1 0 305.462 3.429 10 0 DGAERO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000588619487 547027031 /nfs/dbraw/zinc/02/70/31/547027031.db2.gz AKRWKXYETWBSJV-ZUTYSQTGSA-N 1 0 308.429 3.139 10 0 DGAERO CN1CC[C@H]([NH3+])C[C@@H]1c1cc(Cl)ccc1Br ZINC000675055755 548148551 /nfs/dbraw/zinc/14/85/51/548148551.db2.gz XJSLWCGHSWHLBV-JOYOIKCWSA-N 1 0 303.631 3.197 10 0 DGAERO Cc1ccccc1[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675055494 548148646 /nfs/dbraw/zinc/14/86/46/548148646.db2.gz UGEMAKQNNWEWGU-KDOFPFPSSA-N 1 0 304.434 3.487 10 0 DGAERO Cc1cc(Br)ccc1-n1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000725263153 549811962 /nfs/dbraw/zinc/81/19/62/549811962.db2.gz RQBXQOQEUCBDSV-LBPRGKRZSA-N 1 0 321.222 3.153 10 0 DGAERO Fc1c(Br)cccc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000725269893 563575508 /nfs/dbraw/zinc/57/55/08/563575508.db2.gz RHSUTMSIGCFIRV-YPMHNXCESA-N 1 0 314.198 3.103 10 0 DGAERO C/C(=C\C(=O)N1CC[NH+](CC(C)C)CC1)c1cccc(F)c1 ZINC000732052598 574565598 /nfs/dbraw/zinc/56/55/98/574565598.db2.gz ORWQVANPQPGIQY-RVDMUPIBSA-N 1 0 304.409 3.029 10 0 DGAERO C/C(=C\C(=O)NCCC[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC000732053041 574565601 /nfs/dbraw/zinc/56/56/01/574565601.db2.gz XLMMVBIYEXIAIZ-DTQAZKPQSA-N 1 0 318.436 3.467 10 0 DGAERO COc1cc(CN(C)Cc2ncc(C(C)C)o2)cc(OC)c1 ZINC000733308224 574614672 /nfs/dbraw/zinc/61/46/72/574614672.db2.gz ICUWAJHALXFKFX-UHFFFAOYSA-N 1 0 304.390 3.447 10 0 DGAERO Brc1ccoc1CNc1cnn(-c2cc[nH+]cc2)c1 ZINC000735323203 574698113 /nfs/dbraw/zinc/69/81/13/574698113.db2.gz UACKPWXQCODVCS-UHFFFAOYSA-N 1 0 319.162 3.235 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000738987784 574888486 /nfs/dbraw/zinc/88/84/86/574888486.db2.gz XPKGLKBJKUMEKX-DLBZAZTESA-N 1 0 317.477 3.272 10 0 DGAERO Cc1ccc([C@@H](C)CNC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000738987788 574888516 /nfs/dbraw/zinc/88/85/16/574888516.db2.gz XPKGLKBJKUMEKX-IRXDYDNUSA-N 1 0 317.477 3.272 10 0 DGAERO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+]2CCC3(C2)CCCCC3)C1=O ZINC000742166951 574983299 /nfs/dbraw/zinc/98/32/99/574983299.db2.gz RLZKGEVTVWVKPR-QGZVFWFLSA-N 1 0 306.450 3.021 10 0 DGAERO CC(C)C[C@]1(C)CC(=O)N(C[N@@H+]2CCC3(C2)CCCCC3)C1=O ZINC000742165014 574983432 /nfs/dbraw/zinc/98/34/32/574983432.db2.gz JOAOSDYSKMFMDR-GOSISDBHSA-N 1 0 320.477 3.411 10 0 DGAERO C/C(=C\C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000742309653 574989811 /nfs/dbraw/zinc/98/98/11/574989811.db2.gz HJRHVOWZUNOVNL-BUYIWHAFSA-N 1 0 304.409 3.220 10 0 DGAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)C1 ZINC000223834696 575927807 /nfs/dbraw/zinc/92/78/07/575927807.db2.gz MDZNXQPXUHXUAC-NWDGAFQWSA-N 1 0 317.260 3.365 10 0 DGAERO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccc(Br)cc1F ZINC000393971830 575936176 /nfs/dbraw/zinc/93/61/76/575936176.db2.gz OJHHITHTRUMBOT-RKDXNWHRSA-N 1 0 304.203 3.398 10 0 DGAERO Cc1cc(NC(=O)C[C@H]([NH3+])C(C)C)cc(C)c1Br ZINC000232036300 576163945 /nfs/dbraw/zinc/16/39/45/576163945.db2.gz OHJPFGKEHACMJO-LBPRGKRZSA-N 1 0 313.239 3.378 10 0 DGAERO CC[C@@H](C)OCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000154278646 620655983 /nfs/dbraw/zinc/65/59/83/620655983.db2.gz IMGHZGUHYIDGFN-AEFFLSMTSA-N 1 0 319.445 3.257 10 0 DGAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000111256342 620689605 /nfs/dbraw/zinc/68/96/05/620689605.db2.gz POXYMMXZOXRPJR-LDYMZIIASA-N 1 0 312.200 3.290 10 0 DGAERO C[C@@H](C[NH3+])c1noc(-c2ccc(Br)c(Cl)c2)n1 ZINC000149013167 620022432 /nfs/dbraw/zinc/02/24/32/620022432.db2.gz IYTULILYTBVXNQ-LURJTMIESA-N 1 0 316.586 3.215 10 0 DGAERO COCCCCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114990235 621071459 /nfs/dbraw/zinc/07/14/59/621071459.db2.gz IMSQDTUSDSUFCK-GOSISDBHSA-N 1 0 319.445 3.259 10 0 DGAERO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000117094391 621351429 /nfs/dbraw/zinc/35/14/29/621351429.db2.gz LLXWDHIAZFNDHM-OAHLLOKOSA-N 1 0 316.788 3.166 10 0 DGAERO CCC[N@H+](C[C@H]1CCCCO1)Cn1cnc(-c2ccccc2)n1 ZINC000117863866 621461412 /nfs/dbraw/zinc/46/14/12/621461412.db2.gz TYSSISWDYMDMHS-QGZVFWFLSA-N 1 0 314.433 3.184 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cccnc1Cl ZINC000120575035 621929626 /nfs/dbraw/zinc/92/96/26/621929626.db2.gz JHWCKJOGZKVBTJ-WDEREUQCSA-N 1 0 306.841 3.367 10 0 DGAERO C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000123897221 622748402 /nfs/dbraw/zinc/74/84/02/622748402.db2.gz DOZGRVGKBGWZCM-AMIZOPFISA-N 1 0 301.217 3.298 10 0 DGAERO C[C@@H]1CC[C@@H](C(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000125091223 623311810 /nfs/dbraw/zinc/31/18/10/623311810.db2.gz JBOZZIFXXPNLPL-NXHRZFHOSA-N 1 0 317.429 3.009 10 0 DGAERO COCCOc1cccc(C[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000125715016 623523331 /nfs/dbraw/zinc/52/33/31/623523331.db2.gz IFDCPGNKJMKPIH-UHFFFAOYSA-N 1 0 320.820 3.392 10 0 DGAERO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc2ccccc2c1 ZINC000126676497 624000173 /nfs/dbraw/zinc/00/01/73/624000173.db2.gz MPCPUFGDLAKPJF-SUMWQHHRSA-N 1 0 303.427 3.068 10 0 DGAERO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cccc2ccccc21 ZINC000126782203 624086019 /nfs/dbraw/zinc/08/60/19/624086019.db2.gz QARDVXAQZVFIGZ-HIFRSBDPSA-N 1 0 303.427 3.068 10 0 DGAERO CC(C)C(=O)NCC[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000129646018 625716870 /nfs/dbraw/zinc/71/68/70/625716870.db2.gz WQQHDPPHPWJAHM-UHFFFAOYSA-N 1 0 319.836 3.092 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(Cc2cccc(Cl)c2F)no1 ZINC000212451872 625775309 /nfs/dbraw/zinc/77/53/09/625775309.db2.gz UBIAUUPFBLUVMH-GHMZBOCLSA-N 1 0 309.772 3.295 10 0 DGAERO C[C@@H](C1CCC1)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757135590 626750956 /nfs/dbraw/zinc/75/09/56/626750956.db2.gz WOBATTHTAMRSEZ-LBPRGKRZSA-N 1 0 305.422 3.470 10 0 DGAERO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000223127617 627279073 /nfs/dbraw/zinc/27/90/73/627279073.db2.gz AINJKONMZVRJRA-HNNXBMFYSA-N 1 0 308.397 3.317 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300910098 627284647 /nfs/dbraw/zinc/28/46/47/627284647.db2.gz CZFHEEAEDATQLN-UONOGXRCSA-N 1 0 314.470 3.037 10 0 DGAERO COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300910093 627284669 /nfs/dbraw/zinc/28/46/69/627284669.db2.gz CZFHEEAEDATQLN-KGLIPLIRSA-N 1 0 314.470 3.037 10 0 DGAERO CC(C)Oc1ccccc1C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000105434017 630710271 /nfs/dbraw/zinc/71/02/71/630710271.db2.gz WJWQFZIALRPCGW-UHFFFAOYSA-N 1 0 322.449 3.478 10 0 DGAERO CC[C@@H]([NH2+]Cc1ccc(Br)o1)[C@H]1CCCOC1 ZINC000724015328 655736664 /nfs/dbraw/zinc/73/66/64/655736664.db2.gz TWZRPQALLUHACO-CMPLNLGQSA-N 1 0 302.212 3.337 10 0 DGAERO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1cc(Cl)ccc1O ZINC000185015405 660198784 /nfs/dbraw/zinc/19/87/84/660198784.db2.gz WNJGKMFYXCQUTA-LLVKDONJSA-N 1 0 305.809 3.357 10 0 DGAERO CC1(C)CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000718949433 662265381 /nfs/dbraw/zinc/26/53/81/662265381.db2.gz IPFZCDUTBMVMMH-KFWWJZLASA-N 1 0 301.496 3.291 10 0 DGAERO C[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)C2CCCCC2)[C@@H]1C ZINC000700003370 660608873 /nfs/dbraw/zinc/60/88/73/660608873.db2.gz AZPBFNHTJKKLGK-IIAWOOMASA-N 1 0 301.496 3.148 10 0 DGAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1nccs1 ZINC000700753844 660633051 /nfs/dbraw/zinc/63/30/51/660633051.db2.gz SOYOFOPMVMMXGM-SDDRHHMPSA-N 1 0 311.451 3.192 10 0 DGAERO C[C@@H]1[C@@H]([NH2+]Cc2ccc(Cl)o2)CCN1C(=O)OC(C)(C)C ZINC000700756887 660633124 /nfs/dbraw/zinc/63/31/24/660633124.db2.gz NGAOGASLTJSRCG-PWSUYJOCSA-N 1 0 314.813 3.421 10 0 DGAERO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000700739963 660634347 /nfs/dbraw/zinc/63/43/47/660634347.db2.gz FEOOMHIXPNJQJP-LLVKDONJSA-N 1 0 312.866 3.066 10 0 DGAERO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000700991359 660647864 /nfs/dbraw/zinc/64/78/64/660647864.db2.gz WXWXSZYXUFTBCV-LDYMZIIASA-N 1 0 320.177 3.242 10 0 DGAERO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000700991353 660647804 /nfs/dbraw/zinc/64/78/04/660647804.db2.gz WXWXSZYXUFTBCV-GZMMTYOYSA-N 1 0 320.177 3.242 10 0 DGAERO C[C@@H](CC[NH2+][C@H]1CC[C@@H](C)SC1)NC(=O)OC(C)(C)C ZINC000701557941 660672670 /nfs/dbraw/zinc/67/26/70/660672670.db2.gz FVMCDFLCOMFQAS-XQQFMLRXSA-N 1 0 302.484 3.163 10 0 DGAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C1(Cl)CC1 ZINC000701869104 660688780 /nfs/dbraw/zinc/68/87/80/660688780.db2.gz ZIYBHNCGEFYXHV-BZUNDVKYSA-N 1 0 314.857 3.135 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1cccc(F)c1)C2 ZINC000701865693 660688896 /nfs/dbraw/zinc/68/88/96/660688896.db2.gz VIEVNBHWBLNLLQ-UHFFFAOYSA-N 1 0 320.408 3.315 10 0 DGAERO C[C@H](Cc1ccco1)[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701865659 660689059 /nfs/dbraw/zinc/68/90/59/660689059.db2.gz UUPMHOITMMQUKD-WRSVWVKZSA-N 1 0 320.433 3.200 10 0 DGAERO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@]1(C)CCCS1 ZINC000701923189 660695374 /nfs/dbraw/zinc/69/53/74/660695374.db2.gz QWOIXGSTLDHGRR-SWLSCSKDSA-N 1 0 302.484 3.117 10 0 DGAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1cccs1)C2 ZINC000701917749 660691459 /nfs/dbraw/zinc/69/14/59/660691459.db2.gz ACQBIWMEBLUADH-UHFFFAOYSA-N 1 0 308.447 3.237 10 0 DGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000701945169 660692811 /nfs/dbraw/zinc/69/28/11/660692811.db2.gz PIANEJCUIKMCJA-RFQIPJPRSA-N 1 0 314.495 3.258 10 0 DGAERO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000701957216 660694140 /nfs/dbraw/zinc/69/41/40/660694140.db2.gz ZJHRLGTXKXHQDS-YNEHKIRRSA-N 1 0 318.408 3.409 10 0 DGAERO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@]1(C)CCCS1 ZINC000701923193 660695663 /nfs/dbraw/zinc/69/56/63/660695663.db2.gz QWOIXGSTLDHGRR-WFASDCNBSA-N 1 0 302.484 3.117 10 0 DGAERO Brc1cnccc1C[NH2+]CCC1SCCS1 ZINC000702865014 660744455 /nfs/dbraw/zinc/74/44/55/660744455.db2.gz VUKSTGJHJMJVEH-UHFFFAOYSA-N 1 0 319.293 3.130 10 0 DGAERO Clc1cccc(CC[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000702908409 660749738 /nfs/dbraw/zinc/74/97/38/660749738.db2.gz OXDAUDARBOAENB-UHFFFAOYSA-N 1 0 314.614 3.158 10 0 DGAERO Cc1cc(C[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccn1 ZINC000703427828 660779826 /nfs/dbraw/zinc/77/98/26/660779826.db2.gz JONANSKZLPAGHU-MRXNPFEDSA-N 1 0 321.465 3.419 10 0 DGAERO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(F)F ZINC000704202436 660805739 /nfs/dbraw/zinc/80/57/39/660805739.db2.gz ZUDJKBSYSFDHRC-KXNHARMFSA-N 1 0 304.381 3.018 10 0 DGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000704663860 660813976 /nfs/dbraw/zinc/81/39/76/660813976.db2.gz BJYZUNLSIOZRHZ-LEWSCRJBSA-N 1 0 312.866 3.077 10 0 DGAERO CC[C@@H]1[C@@H]([NH2+][C@@H](C)C(C)(C)OC)CCN1C(=O)OC(C)(C)C ZINC000704646037 660814069 /nfs/dbraw/zinc/81/40/69/660814069.db2.gz RJLCKTJOWSPKFB-MELADBBJSA-N 1 0 314.470 3.178 10 0 DGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000704663857 660814167 /nfs/dbraw/zinc/81/41/67/660814167.db2.gz BJYZUNLSIOZRHZ-DDTOSNHZSA-N 1 0 312.866 3.077 10 0 DGAERO Cc1ncccc1C[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000705529177 660837205 /nfs/dbraw/zinc/83/72/05/660837205.db2.gz AUHXPACRTILJEN-XJKSGUPXSA-N 1 0 319.449 3.125 10 0 DGAERO CCN(CCC[NH2+][C@H](C)[C@@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000705989961 660841450 /nfs/dbraw/zinc/84/14/50/660841450.db2.gz SHPBUIQZCNSJGX-CABCVRRESA-N 1 0 314.470 3.181 10 0 DGAERO Cn1nc(C[NH2+]C(C)(C)COCc2ccccc2)cc1Cl ZINC000706182491 660848070 /nfs/dbraw/zinc/84/80/70/660848070.db2.gz FAVKXWFGFMEPOM-UHFFFAOYSA-N 1 0 307.825 3.159 10 0 DGAERO C[NH+]1C[C@@]2(C)CN(Cc3nc(Cl)ccc3Cl)C[C@]2(C)C1 ZINC000706232466 660850551 /nfs/dbraw/zinc/85/05/51/660850551.db2.gz AIFXTFCTYGXTIY-GJZGRUSLSA-N 1 0 314.260 3.162 10 0 DGAERO C[NH+]1C[C@]2(C)CN(Cc3ccc(Cl)nc3Cl)C[C@@]2(C)C1 ZINC000706237926 660850917 /nfs/dbraw/zinc/85/09/17/660850917.db2.gz QSNHKPGCAKZGNK-HUUCEWRRSA-N 1 0 314.260 3.162 10 0 DGAERO CC1(C)C[C@]1(C)C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000706537365 660864771 /nfs/dbraw/zinc/86/47/71/660864771.db2.gz BOXSINYGJYWTLG-OAHLLOKOSA-N 1 0 315.866 3.269 10 0 DGAERO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CCCSCC1 ZINC000706554478 660864949 /nfs/dbraw/zinc/86/49/49/660864949.db2.gz GJOBMCBBCFCMDH-QWHCGFSZSA-N 1 0 302.484 3.117 10 0 DGAERO CCCC(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000706656465 660867161 /nfs/dbraw/zinc/86/71/61/660867161.db2.gz FPIFZBHTDSKARX-RTBURBONSA-N 1 0 300.446 3.157 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]([NH2+]CCC(C)(F)F)C2 ZINC000707899140 660915207 /nfs/dbraw/zinc/91/52/07/660915207.db2.gz HMIOZHGCJGZUDL-XQQFMLRXSA-N 1 0 318.408 3.409 10 0 DGAERO C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000707921722 660915652 /nfs/dbraw/zinc/91/56/52/660915652.db2.gz TXRIFQATNKNYLY-UGQVUOCMSA-N 1 0 308.466 3.410 10 0 DGAERO C[C@H]1CN(C(=O)c2sc3ccccc3c2Cl)C[C@@H]1C[NH3+] ZINC000708872287 660923516 /nfs/dbraw/zinc/92/35/16/660923516.db2.gz WSVMTXHVWGZMPE-UWVGGRQHSA-N 1 0 308.834 3.222 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000708959966 660923662 /nfs/dbraw/zinc/92/36/62/660923662.db2.gz BNKKQYLUKUPVJW-UHFFFAOYSA-N 1 0 324.469 3.200 10 0 DGAERO COC1CC(C[N@H+](C)Cc2cscc2Br)C1 ZINC000709813421 660930453 /nfs/dbraw/zinc/93/04/53/660930453.db2.gz BAMKULFHHDLAGH-UHFFFAOYSA-N 1 0 304.253 3.367 10 0 DGAERO C[NH+](C)C1(C)CCN(Cc2ccc(Br)s2)CC1 ZINC000709894176 660931184 /nfs/dbraw/zinc/93/11/84/660931184.db2.gz UYKSEZFJVNEXQP-UHFFFAOYSA-N 1 0 317.296 3.427 10 0 DGAERO CCOC(=O)c1ncc(C[NH2+]CC(C)(C)C(C)(F)F)s1 ZINC000711479917 660954344 /nfs/dbraw/zinc/95/43/44/660954344.db2.gz HJWBEMVCKFORKM-UHFFFAOYSA-N 1 0 306.378 3.091 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711405875 660950443 /nfs/dbraw/zinc/95/04/43/660950443.db2.gz DNLNGQYSEVGHJX-HUUCEWRRSA-N 1 0 324.465 3.077 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCc2cccc(F)c2)C1 ZINC000711438057 660952232 /nfs/dbraw/zinc/95/22/32/660952232.db2.gz CEMBWOVNBVZPDK-FZNQNYSPSA-N 1 0 322.424 3.261 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCc2ccc(F)cc2)C1 ZINC000711438536 660952318 /nfs/dbraw/zinc/95/23/18/660952318.db2.gz DYRSQTUVDZBFIC-FZNQNYSPSA-N 1 0 322.424 3.261 10 0 DGAERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1nccn1C1CC1 ZINC000711816453 660963268 /nfs/dbraw/zinc/96/32/68/660963268.db2.gz HMEMRSNZTKMVFI-UHFFFAOYSA-N 1 0 322.453 3.001 10 0 DGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1nccn1C1CC1 ZINC000711795160 660963322 /nfs/dbraw/zinc/96/33/22/660963322.db2.gz NPKYDCWSBWYART-WMZOPIPTSA-N 1 0 324.472 3.076 10 0 DGAERO Brc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)o1 ZINC000711833185 660963908 /nfs/dbraw/zinc/96/39/08/660963908.db2.gz MEPWQQDICIHTHV-SMDDNHRTSA-N 1 0 314.223 3.337 10 0 DGAERO COC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000711834236 660963927 /nfs/dbraw/zinc/96/39/27/660963927.db2.gz VKBJJSPYQSOXIT-KBPBESRZSA-N 1 0 314.470 3.037 10 0 DGAERO C[C@@H](C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)CC(F)(F)F ZINC000711484792 660955062 /nfs/dbraw/zinc/95/50/62/660955062.db2.gz MVYQUFMBXJJMIR-VOMCLLRMSA-N 1 0 324.387 3.468 10 0 DGAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000711502545 660955482 /nfs/dbraw/zinc/95/54/82/660955482.db2.gz AWBBSXATQYAYFY-UTUOFQBUSA-N 1 0 304.381 3.067 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C(/C)c1cccc(OC)c1 ZINC000254966630 655550123 /nfs/dbraw/zinc/55/01/23/655550123.db2.gz PUAZNKPMYGBDPO-KSVUCXBSSA-N 1 0 316.445 3.041 10 0 DGAERO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccccc2Cl)C[N@@H+]1C1CC1 ZINC000255060330 655588359 /nfs/dbraw/zinc/58/83/59/655588359.db2.gz NIEGPZNGHHLTOG-LQGBBJIQSA-N 1 0 304.821 3.095 10 0 DGAERO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000255106453 655598978 /nfs/dbraw/zinc/59/89/78/655598978.db2.gz VONUDWHDKLAVBS-LWNBXFKYSA-N 1 0 324.399 3.401 10 0 DGAERO O=C(/C=C\c1ccccc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000255115847 655601236 /nfs/dbraw/zinc/60/12/36/655601236.db2.gz YFALVSNRHQPRDQ-WHLNPGIBSA-N 1 0 304.821 3.050 10 0 DGAERO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](C)COC ZINC000187433277 655604160 /nfs/dbraw/zinc/60/41/60/655604160.db2.gz UZKMOXZHKUTQFF-NSHDSACASA-N 1 0 316.239 3.259 10 0 DGAERO [NH3+]CC12CCC(CC1)N2c1ncc(C(F)(F)F)cc1Cl ZINC000722988181 655650777 /nfs/dbraw/zinc/65/07/77/655650777.db2.gz WPJPRBLWJXGJKH-UHFFFAOYSA-N 1 0 305.731 3.214 10 0 DGAERO C[C@@](O)(C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccsc1 ZINC000175998486 655691325 /nfs/dbraw/zinc/69/13/25/655691325.db2.gz PPMQGYZMPXUEAP-QGZVFWFLSA-N 1 0 313.426 3.136 10 0 DGAERO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cnc2ccccn12)c1ccccc1 ZINC000160888270 655692021 /nfs/dbraw/zinc/69/20/21/655692021.db2.gz ATGXNGRFIHXTAR-HKUYNNGSSA-N 1 0 321.424 3.422 10 0 DGAERO CCOc1cccc(C[N@@H+](C/C=C\c2ccco2)CCO)c1 ZINC000096794887 655697926 /nfs/dbraw/zinc/69/79/26/655697926.db2.gz MXKBYKQGFISETD-YWEYNIOJSA-N 1 0 301.386 3.186 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000176057528 655728842 /nfs/dbraw/zinc/72/88/42/655728842.db2.gz CCIRSFGJTSDEHN-AYYGCFCKSA-N 1 0 304.409 3.077 10 0 DGAERO C[NH2+]C[C@@H]1CCCCN1c1ncc(Br)cc1Cl ZINC000234378041 655730611 /nfs/dbraw/zinc/73/06/11/655730611.db2.gz WNYPVUMDHXLPHQ-JTQLQIEISA-N 1 0 318.646 3.076 10 0 DGAERO C[C@@H](Cc1ccsc1)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724058298 655739611 /nfs/dbraw/zinc/73/96/11/655739611.db2.gz MKCYWGZKHNPGMJ-WCBMZHEXSA-N 1 0 317.323 3.217 10 0 DGAERO C[C@@](O)(C[N@@H+]1CCC[C@H](CCF)C1)C(F)(F)C(F)(F)F ZINC000724096717 655741539 /nfs/dbraw/zinc/74/15/39/655741539.db2.gz NKOPNUIFHKCWES-NXEZZACHSA-N 1 0 307.278 3.007 10 0 DGAERO CCSCC[C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724112790 655742918 /nfs/dbraw/zinc/74/29/18/655742918.db2.gz ZOXYTRBRSKYDMQ-BDAKNGLRSA-N 1 0 309.344 3.056 10 0 DGAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccnc2ccccc12 ZINC000255437270 655749674 /nfs/dbraw/zinc/74/96/74/655749674.db2.gz WEGGDXTWUKKGGS-QWUACUGRSA-N 1 0 323.440 3.047 10 0 DGAERO C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246985155 655767573 /nfs/dbraw/zinc/76/75/73/655767573.db2.gz GKYBGDOJJXLLHL-DGCDQZBQSA-N 1 0 304.409 3.074 10 0 DGAERO c1ccc(COCCCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161387361 655793156 /nfs/dbraw/zinc/79/31/56/655793156.db2.gz KSZQGSXWMKBFGI-UHFFFAOYSA-N 1 0 319.445 3.259 10 0 DGAERO C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c2ccsc2S1 ZINC000724617350 655794771 /nfs/dbraw/zinc/79/47/71/655794771.db2.gz DEDQWEFHFVUOPX-CDCRFNPESA-N 1 0 311.472 3.067 10 0 DGAERO C/C(=C/c1ccc(Cl)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000255555491 655795626 /nfs/dbraw/zinc/79/56/26/655795626.db2.gz AIMFUSOBTBCCTF-KVNDZABWSA-N 1 0 304.821 3.050 10 0 DGAERO [NH2+]=C(NCc1ccc(Br)s1)NC1CCCCC1 ZINC000052047581 655801272 /nfs/dbraw/zinc/80/12/72/655801272.db2.gz PXRCINJRLCAZEQ-UHFFFAOYSA-N 1 0 316.268 3.457 10 0 DGAERO Cn1cc(C[NH2+]CC(C)(C)c2ccccc2)c(Br)n1 ZINC000712406680 661188059 /nfs/dbraw/zinc/18/80/59/661188059.db2.gz NIPKCYLCHGVFIB-UHFFFAOYSA-N 1 0 322.250 3.250 10 0 DGAERO C[C@@H](CCC(C)(C)C)[NH2+]Cc1cn(C)nc1Br ZINC000712396208 661188113 /nfs/dbraw/zinc/18/81/13/661188113.db2.gz FGPPIULWBMYPPW-JTQLQIEISA-N 1 0 302.260 3.487 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712662099 661189419 /nfs/dbraw/zinc/18/94/19/661189419.db2.gz XALPWDPIZQDCFY-UHDQLFAASA-N 1 0 308.466 3.316 10 0 DGAERO COCCC[C@H](C)[NH2+]CCc1sccc1Br ZINC000712994749 661189928 /nfs/dbraw/zinc/18/99/28/661189928.db2.gz HITVXODWZBCRMA-JTQLQIEISA-N 1 0 306.269 3.458 10 0 DGAERO C[C@H]([NH2+]CCc1sccc1Br)c1cnn(C)c1 ZINC000713104798 661190231 /nfs/dbraw/zinc/19/02/31/661190231.db2.gz KYCVKGJMSNFNLN-VIFPVBQESA-N 1 0 314.252 3.137 10 0 DGAERO CC1(C)OCC[C@H]1[NH2+]CCc1sccc1Br ZINC000713094596 661190273 /nfs/dbraw/zinc/19/02/73/661190273.db2.gz SKOLZCPZVJCIHN-LLVKDONJSA-N 1 0 304.253 3.210 10 0 DGAERO C=C/C=C\CC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000713491384 661191155 /nfs/dbraw/zinc/19/11/55/661191155.db2.gz PMGMFLBUDVKFHX-PLNGDYQASA-N 1 0 312.207 3.385 10 0 DGAERO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(Cl)cc1Cl ZINC000724909710 655827718 /nfs/dbraw/zinc/82/77/18/655827718.db2.gz KLRRNYHTIDRSBI-PWSUYJOCSA-N 1 0 304.217 3.450 10 0 DGAERO OC1CC2(C[C@@H]2[NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000724918932 655829409 /nfs/dbraw/zinc/82/94/09/655829409.db2.gz YKHSKEOGAAUPFV-YDGIUTOCSA-N 1 0 316.626 3.106 10 0 DGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ncc(Br)s2)C1(C)C ZINC000713622660 661192452 /nfs/dbraw/zinc/19/24/52/661192452.db2.gz GUMDMFDJXMXNJP-RKDXNWHRSA-N 1 0 319.268 3.199 10 0 DGAERO CC(C)C[NH+](Cc1cn(C)nc1Br)CC(C)C ZINC000713863436 661194885 /nfs/dbraw/zinc/19/48/85/661194885.db2.gz QJQDCCQTGQCDGL-UHFFFAOYSA-N 1 0 302.260 3.297 10 0 DGAERO COCC1CC([NH2+]Cc2cccc(F)c2Br)C1 ZINC000713953808 661195066 /nfs/dbraw/zinc/19/50/66/661195066.db2.gz UKYGIEWTKWGHSV-UHFFFAOYSA-N 1 0 302.187 3.103 10 0 DGAERO C[C@H]1CCC[C@H]([N@H+](C)Cc2cn(C)nc2Br)C1 ZINC000713862012 661195204 /nfs/dbraw/zinc/19/52/04/661195204.db2.gz VKTHALVPFMFZDG-JQWIXIFHSA-N 1 0 300.244 3.193 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2(C)CC(F)(F)C2)C1 ZINC000714242536 661198205 /nfs/dbraw/zinc/19/82/05/661198205.db2.gz XEKLQTRDVLLWCA-GFCCVEGCSA-N 1 0 318.408 3.411 10 0 DGAERO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)C1 ZINC000714361080 661198616 /nfs/dbraw/zinc/19/86/16/661198616.db2.gz OTPTZGCSMLJAFI-JYJNAYRXSA-N 1 0 301.496 3.148 10 0 DGAERO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000714335102 661198724 /nfs/dbraw/zinc/19/87/24/661198724.db2.gz PFVFPGPXLBWBRV-LLVKDONJSA-N 1 0 322.257 3.050 10 0 DGAERO CC1(C)CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)O1 ZINC000714345274 661198795 /nfs/dbraw/zinc/19/87/95/661198795.db2.gz QVVYFVRLBRLCGU-ZDUSSCGKSA-N 1 0 313.239 3.281 10 0 DGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714361604 661198882 /nfs/dbraw/zinc/19/88/82/661198882.db2.gz SIPCBGQWKWVTSV-RBSFLKMASA-N 1 0 301.496 3.148 10 0 DGAERO COC[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000714451988 661200592 /nfs/dbraw/zinc/20/05/92/661200592.db2.gz ZJGHWHXVLLJVLS-WVSHTKLVSA-N 1 0 302.187 3.103 10 0 DGAERO CO[C@H]1C[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000714672863 661201954 /nfs/dbraw/zinc/20/19/54/661201954.db2.gz ISDYNCGWQIOZAW-HDJSIYSDSA-N 1 0 314.470 3.037 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)/C=C\c1cccs1)c1ccccc1 ZINC000255846110 655911643 /nfs/dbraw/zinc/91/16/43/655911643.db2.gz PNGNXESWNRMTRN-SNGWPZLWSA-N 1 0 300.427 3.180 10 0 DGAERO CCC[N@@H+](Cc1ccc(-n2ccnc2)nc1)C[C@@H]1CCCCO1 ZINC000177149633 655914871 /nfs/dbraw/zinc/91/48/71/655914871.db2.gz NZUBPLFVGVDKED-KRWDZBQOSA-N 1 0 314.433 3.048 10 0 DGAERO CCC1([NH3+])CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000714749642 661202861 /nfs/dbraw/zinc/20/28/61/661202861.db2.gz HEIYABRLOJDIPU-UHFFFAOYSA-N 1 0 315.230 3.292 10 0 DGAERO Brc1ccc2c(c1)[C@@H]([NH2+]CCOC1CC1)CCO2 ZINC000714999291 661206149 /nfs/dbraw/zinc/20/61/49/661206149.db2.gz DOIAMYGGHLWFRM-ZDUSSCGKSA-N 1 0 312.207 3.041 10 0 DGAERO Cc1sc(C[NH2+][C@H]2CCN(C)[C@@H]2C)cc1Br ZINC000719642600 655948890 /nfs/dbraw/zinc/94/88/90/655948890.db2.gz CQYSSQVXBUWVKD-PELKAZGASA-N 1 0 303.269 3.001 10 0 DGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C\c3ccccc3Cl)CC[C@H]21 ZINC000255886813 655949628 /nfs/dbraw/zinc/94/96/28/655949628.db2.gz VWYFSYCNYDAPSV-KUBOQAQJSA-N 1 0 318.848 3.296 10 0 DGAERO C[C@@H]([NH2+]CC[C@@H]1CCCS1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000715645181 661213778 /nfs/dbraw/zinc/21/37/78/661213778.db2.gz VMXIIWYHTTXRTF-OCCSQVGLSA-N 1 0 314.495 3.117 10 0 DGAERO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000177951535 655950949 /nfs/dbraw/zinc/95/09/49/655950949.db2.gz CDYMLBVESAAIFX-RRFJBIMHSA-N 1 0 314.470 3.085 10 0 DGAERO Cc1ccc(Br)cc1-c1noc(CC[C@@H](C)[NH3+])n1 ZINC000310721090 655952062 /nfs/dbraw/zinc/95/20/62/655952062.db2.gz IICACRVMNQCTSX-SECBINFHSA-N 1 0 310.195 3.087 10 0 DGAERO O=C(/C=C\c1ccc(Cl)s1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715053539 661207772 /nfs/dbraw/zinc/20/77/72/661207772.db2.gz JDCBFSKGVBVEDZ-DMBZQDCGSA-N 1 0 310.850 3.015 10 0 DGAERO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1cncnc1)c1ccccc1 ZINC000180510041 655966445 /nfs/dbraw/zinc/96/64/45/655966445.db2.gz QQAPWFPWWJZXDM-OALUTQOASA-N 1 0 311.429 3.345 10 0 DGAERO COC(C)(C)C[C@H](C)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000715133373 661209630 /nfs/dbraw/zinc/20/96/30/661209630.db2.gz ISPQTUMEFKWFLP-MELADBBJSA-N 1 0 314.470 3.083 10 0 DGAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC34CC4)C[C@H]2C1 ZINC000715297550 661210440 /nfs/dbraw/zinc/21/04/40/661210440.db2.gz YXHHNUQASQLETE-ZQDZILKHSA-N 1 0 306.450 3.164 10 0 DGAERO CC1CCN(c2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000180980311 656011474 /nfs/dbraw/zinc/01/14/74/656011474.db2.gz OACUSBZDYJRBAB-IBGZPJMESA-N 1 0 315.461 3.394 10 0 DGAERO O[C@@]1(C(F)(F)F)CCC[N@H+](CCSC(F)(F)F)CC1 ZINC000311861216 656017551 /nfs/dbraw/zinc/01/75/51/656017551.db2.gz QOLLATWMNVEXNM-QMMMGPOBSA-N 1 0 311.291 3.019 10 0 DGAERO CCCn1cc([C@@H](C)[NH2+]C[C@H](C)COCc2ccccc2)nn1 ZINC000715891992 661215496 /nfs/dbraw/zinc/21/54/96/661215496.db2.gz CHRBTXGQYMGLGU-JKSUJKDBSA-N 1 0 316.449 3.192 10 0 DGAERO C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccns1 ZINC000715973142 661217547 /nfs/dbraw/zinc/21/75/47/661217547.db2.gz BIIWUTJRNYKJOW-OFQRWUPVSA-N 1 0 301.459 3.457 10 0 DGAERO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccns1 ZINC000715992965 661217890 /nfs/dbraw/zinc/21/78/90/661217890.db2.gz HMWYVSZUMWFTGY-AWEZNQCLSA-N 1 0 301.459 3.458 10 0 DGAERO Cc1ncccc1C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178322994 656057875 /nfs/dbraw/zinc/05/78/75/656057875.db2.gz FTUHBKUCZTXYBE-GOSISDBHSA-N 1 0 324.424 3.459 10 0 DGAERO [NH2+]=C(NC1CC(OCc2ccccc2)C1)NC1CCCCC1 ZINC000716171419 661219606 /nfs/dbraw/zinc/21/96/06/661219606.db2.gz XTAJVFKJLOFNLP-UHFFFAOYSA-N 1 0 301.434 3.181 10 0 DGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccc(Cl)s1 ZINC000177025318 656074626 /nfs/dbraw/zinc/07/46/26/656074626.db2.gz QBJDHNRNAQUNRN-CRALRDPISA-N 1 0 312.866 3.357 10 0 DGAERO Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCO1)CCO2 ZINC000037215307 661221030 /nfs/dbraw/zinc/22/10/30/661221030.db2.gz VPZRVVCKNJHAMC-DGCLKSJQSA-N 1 0 312.207 3.041 10 0 DGAERO C[C@H]([NH2+]Cc1cc[nH]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716585281 661224698 /nfs/dbraw/zinc/22/46/98/661224698.db2.gz UXTNEXXREVWVGJ-ZDUSSCGKSA-N 1 0 307.438 3.140 10 0 DGAERO COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000309962572 656114533 /nfs/dbraw/zinc/11/45/33/656114533.db2.gz JEKQDDREWSXEMM-MJBXVCDLSA-N 1 0 314.470 3.083 10 0 DGAERO CCn1cc(N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000716645000 661226184 /nfs/dbraw/zinc/22/61/84/661226184.db2.gz QSLXSJVOMURKLK-LNLFQRSKSA-N 1 0 310.445 3.368 10 0 DGAERO C[C@H](c1ccsc1)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000185468314 656126874 /nfs/dbraw/zinc/12/68/74/656126874.db2.gz UOCAJHRUSFXTFY-OAHLLOKOSA-N 1 0 308.491 3.122 10 0 DGAERO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)ccc1F ZINC000309945543 656126907 /nfs/dbraw/zinc/12/69/07/656126907.db2.gz KDQUHIWTSNRRLS-ZDUSSCGKSA-N 1 0 310.413 3.479 10 0 DGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC000310008675 656130440 /nfs/dbraw/zinc/13/04/40/656130440.db2.gz JEOYVNUKSYEEMD-SOUVJXGZSA-N 1 0 314.470 3.227 10 0 DGAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1c(F)cccc1Br ZINC000716842956 661229762 /nfs/dbraw/zinc/22/97/62/661229762.db2.gz IUDVDZIVTZLIJK-ZJUUUORDSA-N 1 0 304.203 3.227 10 0 DGAERO Clc1cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)s1 ZINC000312612162 656158541 /nfs/dbraw/zinc/15/85/41/656158541.db2.gz KNZBFWWINYZVTE-QWRGUYRKSA-N 1 0 321.273 3.008 10 0 DGAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000716968672 661236537 /nfs/dbraw/zinc/23/65/37/661236537.db2.gz KFFHOFODPWEXBV-PSASIEDQSA-N 1 0 322.193 3.366 10 0 DGAERO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc2c(c1)CCO2 ZINC000178442464 656313202 /nfs/dbraw/zinc/31/32/02/656313202.db2.gz FCKCJFHVEVPCKE-SJKOYZFVSA-N 1 0 301.361 3.145 10 0 DGAERO C[C@H](COCc1ccccc1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184209266 656320100 /nfs/dbraw/zinc/32/01/00/656320100.db2.gz YSWRJMXTVIWZGQ-MRXNPFEDSA-N 1 0 318.461 3.007 10 0 DGAERO [NH3+][C@H]1CN(Cc2ccc(F)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000717147340 661255788 /nfs/dbraw/zinc/25/57/88/661255788.db2.gz GTRNSVOGYGPLIK-JQWIXIFHSA-N 1 0 310.722 3.191 10 0 DGAERO [NH3+][C@@H]1CN(Cc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000717155216 661255909 /nfs/dbraw/zinc/25/59/09/661255909.db2.gz SACLIQXTFIVDSA-BXKDBHETSA-N 1 0 310.722 3.191 10 0 DGAERO CC1(C)CO[C@@H](CC[NH2+]Cc2ccc(Br)cn2)C1 ZINC000717325291 661261966 /nfs/dbraw/zinc/26/19/66/661261966.db2.gz FBLUSZUQBKVJAM-ZDUSSCGKSA-N 1 0 313.239 3.139 10 0 DGAERO Cc1sc(C[NH2+][C@@H](CO)C2CCC2)cc1Br ZINC000717595473 661265429 /nfs/dbraw/zinc/26/54/29/661265429.db2.gz SUCUDCAAMCXXQI-LBPRGKRZSA-N 1 0 304.253 3.070 10 0 DGAERO C[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)C[C@H]1CC[NH3+] ZINC000723890442 656503730 /nfs/dbraw/zinc/50/37/30/656503730.db2.gz FCMFDNZTVKWTFY-GHMZBOCLSA-N 1 0 315.230 3.005 10 0 DGAERO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724055763 656507264 /nfs/dbraw/zinc/50/72/64/656507264.db2.gz AOICSEBFIYGHBV-OPRDCNLKSA-N 1 0 321.355 3.199 10 0 DGAERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1 ZINC000724314085 656513642 /nfs/dbraw/zinc/51/36/42/656513642.db2.gz JVNWEHXJAUEWRK-SLYWTYHBSA-N 1 0 313.850 3.099 10 0 DGAERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1 ZINC000724314084 656513830 /nfs/dbraw/zinc/51/38/30/656513830.db2.gz JVNWEHXJAUEWRK-KQMXJJGSSA-N 1 0 313.850 3.099 10 0 DGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccc(Cl)c(Cl)c1 ZINC000724599012 656522344 /nfs/dbraw/zinc/52/23/44/656522344.db2.gz JZAMBHQOIIFBST-XDYICZGBSA-N 1 0 316.228 3.448 10 0 DGAERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1Cl ZINC000187349810 661284097 /nfs/dbraw/zinc/28/40/97/661284097.db2.gz ZWIOXIVMSKKXIQ-CJNGLKHVSA-N 1 0 324.808 3.375 10 0 DGAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(CSc2ccc(F)cc2)no1 ZINC000097329196 656943921 /nfs/dbraw/zinc/94/39/21/656943921.db2.gz IJVCXXMWKULQNT-ZWNOBZJWSA-N 1 0 307.394 3.343 10 0 DGAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248554867 657030489 /nfs/dbraw/zinc/03/04/89/657030489.db2.gz HUCXSZXSURBFKY-SJLPKXTDSA-N 1 0 303.446 3.340 10 0 DGAERO [NH3+][C@@H](CC(=O)NCc1ccccc1OCc1ccccc1)C1CC1 ZINC000310360159 657070587 /nfs/dbraw/zinc/07/05/87/657070587.db2.gz SMAPEVIOCIEGAI-SFHVURJKSA-N 1 0 324.424 3.009 10 0 DGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000178865600 657092721 /nfs/dbraw/zinc/09/27/21/657092721.db2.gz OGXFIVNZYMVMIB-KDOFPFPSSA-N 1 0 311.429 3.179 10 0 DGAERO c1nn(-c2ccccc2)nc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000319937822 657294794 /nfs/dbraw/zinc/29/47/94/657294794.db2.gz DOWLZIJHDRWWLP-UHFFFAOYSA-N 1 0 308.429 3.326 10 0 DGAERO CC(C)c1ccc(NC(=O)C[N@H+](CCO)C2CCCCC2)cc1 ZINC000096979610 657578327 /nfs/dbraw/zinc/57/83/27/657578327.db2.gz ZHELXZOHKKJWOL-UHFFFAOYSA-N 1 0 318.461 3.376 10 0 DGAERO [NH3+][C@H]1CC[C@H](c2nc(Cc3ccc(Br)cc3)no2)C1 ZINC000097067759 657591158 /nfs/dbraw/zinc/59/11/58/657591158.db2.gz YDEZQZZPHGTXGY-JQWIXIFHSA-N 1 0 322.206 3.018 10 0 DGAERO [NH3+][C@H]1CC[C@@H](c2nc(Cc3ccc(Br)cc3)no2)C1 ZINC000097067757 657591774 /nfs/dbraw/zinc/59/17/74/657591774.db2.gz YDEZQZZPHGTXGY-PWSUYJOCSA-N 1 0 322.206 3.018 10 0 DGAERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000720410116 657696822 /nfs/dbraw/zinc/69/68/22/657696822.db2.gz IVKSYRSIKGCVOY-JHJVBQTASA-N 1 0 310.429 3.277 10 0 DGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CSC(C)(C)C)C1 ZINC000163262219 657750480 /nfs/dbraw/zinc/75/04/80/657750480.db2.gz IPBKGQJZCWHQAA-AWEZNQCLSA-N 1 0 300.512 3.002 10 0 DGAERO Clc1csc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c1 ZINC000720495345 657802167 /nfs/dbraw/zinc/80/21/67/657802167.db2.gz KMHKQJRUZQFYIW-STQMWFEESA-N 1 0 302.896 3.071 10 0 DGAERO CC(C)COC1CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000054323142 657819741 /nfs/dbraw/zinc/81/97/41/657819741.db2.gz AJGLODZNFJEAGL-UHFFFAOYSA-N 1 0 324.509 3.353 10 0 DGAERO Cn1cc(C[NH2+][C@H]2CCCC23CCCC3)c(Br)n1 ZINC000720652212 658053824 /nfs/dbraw/zinc/05/38/24/658053824.db2.gz JLHVIHKBJZUTSF-LBPRGKRZSA-N 1 0 312.255 3.385 10 0 DGAERO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@H]1CC1(C)C ZINC000720660594 658056956 /nfs/dbraw/zinc/05/69/56/658056956.db2.gz IWACKEOZISLSIN-GHMZBOCLSA-N 1 0 300.244 3.097 10 0 DGAERO CC1(C)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC000720774464 658118859 /nfs/dbraw/zinc/11/88/59/658118859.db2.gz LZOQOVXLFQSZJY-NSHDSACASA-N 1 0 302.205 3.194 10 0 DGAERO [NH3+]C[C@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000720846495 658148456 /nfs/dbraw/zinc/14/84/56/658148456.db2.gz VOSIOLDNMAPBEE-UWVGGRQHSA-N 1 0 310.722 3.048 10 0 DGAERO [NH3+][C@@H]1CN(Cc2csc3ccccc23)C[C@H]1C(F)(F)F ZINC000720842910 658150154 /nfs/dbraw/zinc/15/01/54/658150154.db2.gz ANPITRNHHKBSHU-VXGBXAGGSA-N 1 0 300.349 3.223 10 0 DGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C2(C)CC(F)(F)C2)C1 ZINC000720936303 658236731 /nfs/dbraw/zinc/23/67/31/658236731.db2.gz HAUGYFAELAPPQY-UHFFFAOYSA-N 1 0 304.381 3.067 10 0 DGAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1cccnc1 ZINC000721872117 658309900 /nfs/dbraw/zinc/30/99/00/658309900.db2.gz LZKRDTOQGAMNBA-UKRRQHHQSA-N 1 0 319.449 3.378 10 0 DGAERO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000721874100 658316773 /nfs/dbraw/zinc/31/67/73/658316773.db2.gz YOKMWAIFRXILCN-NSHDSACASA-N 1 0 316.214 3.181 10 0 DGAERO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cn1 ZINC000721874503 658321675 /nfs/dbraw/zinc/32/16/75/658321675.db2.gz RNKLMCSUCZCDCY-OAHLLOKOSA-N 1 0 319.449 3.125 10 0 DGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179132100 658332989 /nfs/dbraw/zinc/33/29/89/658332989.db2.gz ZACXGEMBUJGLRW-QWRGUYRKSA-N 1 0 306.841 3.367 10 0 DGAERO Cc1ccc(-c2ccc(C[NH2+]CCCN3CCCC3=O)o2)cc1 ZINC000127846042 658469784 /nfs/dbraw/zinc/46/97/84/658469784.db2.gz TZCKCKKPOXHOIO-UHFFFAOYSA-N 1 0 312.413 3.357 10 0 DGAERO CC(C)n1ccc([C@@H]2[NH2+]C[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC000536959336 658652466 /nfs/dbraw/zinc/65/24/66/658652466.db2.gz JEQMUDVRWVWCKB-MAUKXSAKSA-N 1 0 319.449 3.341 10 0 DGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cccnc1Cl ZINC000120019061 658726976 /nfs/dbraw/zinc/72/69/76/658726976.db2.gz FINRIAHIZBRGNL-LBPRGKRZSA-N 1 0 303.793 3.333 10 0 DGAERO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1OC ZINC000045098274 658942430 /nfs/dbraw/zinc/94/24/30/658942430.db2.gz ZCSAVGNVFOQARN-GFCCVEGCSA-N 1 0 315.369 3.283 10 0 DGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCSC(C)(C)C ZINC000156990895 658978468 /nfs/dbraw/zinc/97/84/68/658978468.db2.gz IWYBDABLJKHKEF-HUUCEWRRSA-N 1 0 312.523 3.384 10 0 DGAERO O=C(/C=C/c1cccs1)NCC1(C[NH+]2CCCCC2)CC1 ZINC000223559662 658990897 /nfs/dbraw/zinc/99/08/97/658990897.db2.gz JQWZTORTNOIGGH-VOTSOKGWSA-N 1 0 304.459 3.144 10 0 DGAERO CC[S@](=O)CC[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000166054094 659013643 /nfs/dbraw/zinc/01/36/43/659013643.db2.gz MAYBLLCAQPGRPM-WIYYLYMNSA-N 1 0 301.455 3.443 10 0 DGAERO CN(Cc1cccc(F)c1Br)[C@H]1CCC[NH2+]CC1 ZINC000226468568 659119970 /nfs/dbraw/zinc/11/99/70/659119970.db2.gz SXNRRNHJPLVQGC-LBPRGKRZSA-N 1 0 315.230 3.162 10 0 DGAERO CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000227580697 659157669 /nfs/dbraw/zinc/15/76/69/659157669.db2.gz ZQZUEGFQRVEZDA-NRXISQOPSA-N 1 0 317.433 3.104 10 0 DGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1CC[NH2+]Cc1nccs1 ZINC000227642066 659159698 /nfs/dbraw/zinc/15/96/98/659159698.db2.gz ZWDNIJSQLWBFBH-GFCCVEGCSA-N 1 0 311.451 3.022 10 0 DGAERO C[C@@H](C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000227759514 659163890 /nfs/dbraw/zinc/16/38/90/659163890.db2.gz VJPSRTUPEXUAHD-HVHJFMEUSA-N 1 0 304.434 3.461 10 0 DGAERO COCc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1 ZINC000227759919 659163976 /nfs/dbraw/zinc/16/39/76/659163976.db2.gz ATEDDOLIKVKEGK-AATRIKPKSA-N 1 0 320.433 3.004 10 0 DGAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000227811389 659164516 /nfs/dbraw/zinc/16/45/16/659164516.db2.gz NUPVNCMXQXLXJA-JMJZKYOTSA-N 1 0 301.217 3.298 10 0 DGAERO Cc1nc([C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c(C)s1 ZINC000228260342 659184183 /nfs/dbraw/zinc/18/41/83/659184183.db2.gz HVZSDWADTCJFSF-SNVBAGLBSA-N 1 0 313.467 3.325 10 0 DGAERO COc1ccc([C@@H](C)[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cc1Cl ZINC000229800433 659282706 /nfs/dbraw/zinc/28/27/06/659282706.db2.gz SZYUPWRGJOWHAE-OLZOCXBDSA-N 1 0 324.852 3.387 10 0 DGAERO C/C=C\CC(=O)N1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000229850424 659285044 /nfs/dbraw/zinc/28/50/44/659285044.db2.gz PCGOKOOUIDOXSA-JXCVUKRWSA-N 1 0 312.457 3.433 10 0 DGAERO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1Br ZINC000230203267 659317274 /nfs/dbraw/zinc/31/72/74/659317274.db2.gz WJQZYJFSDODFBZ-MNOVXSKESA-N 1 0 314.223 3.251 10 0 DGAERO Cc1cc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)cc(C)c1O ZINC000230852533 659352815 /nfs/dbraw/zinc/35/28/15/659352815.db2.gz OQWCCUJHUMBPGI-UHFFFAOYSA-N 1 0 322.449 3.402 10 0 DGAERO C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H]1CCCO1 ZINC000230969709 659362070 /nfs/dbraw/zinc/36/20/70/659362070.db2.gz JQCQQNAKQHHXGR-ZIAGYGMSSA-N 1 0 314.470 3.179 10 0 DGAERO S=C1OCCN1CN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000173378860 659383177 /nfs/dbraw/zinc/38/31/77/659383177.db2.gz BBGJKCQFGCPKJY-GOSISDBHSA-N 1 0 324.449 3.361 10 0 DGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000231528526 659391643 /nfs/dbraw/zinc/39/16/43/659391643.db2.gz IVUUKLVJSRENRB-UONOGXRCSA-N 1 0 323.437 3.423 10 0 DGAERO O=C(CCC1CCOCC1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174210350 659420105 /nfs/dbraw/zinc/42/01/05/659420105.db2.gz AAHQOTJEMKVYOJ-GOSISDBHSA-N 1 0 317.429 3.011 10 0 DGAERO O=C(CCC1CCOCC1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174339675 659427761 /nfs/dbraw/zinc/42/77/61/659427761.db2.gz AAHQOTJEMKVYOJ-SFHVURJKSA-N 1 0 317.429 3.011 10 0 DGAERO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)nc1C ZINC000313903479 659591679 /nfs/dbraw/zinc/59/16/79/659591679.db2.gz HEQSXPZWICSCMG-MRXNPFEDSA-N 1 0 319.449 3.188 10 0 DGAERO C[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C[C@@H]1CCCOC1 ZINC000179610235 659935422 /nfs/dbraw/zinc/93/54/22/659935422.db2.gz QAABUWKEUFJUOD-BBRMVZONSA-N 1 0 322.836 3.191 10 0 DGAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2ccc(F)cc2)o1 ZINC000237922417 659948062 /nfs/dbraw/zinc/94/80/62/659948062.db2.gz JFHRFUBEUDDQDI-YIONKMFJSA-N 1 0 314.360 3.099 10 0 DGAERO c1[nH]nc2c1[C@@H]([NH2+]C1CCN(Cc3ccccc3)CC1)CCC2 ZINC000353454279 659983946 /nfs/dbraw/zinc/98/39/46/659983946.db2.gz JMGJLBXHWPLSPP-SFHVURJKSA-N 1 0 310.445 3.041 10 0 DGAERO c1[nH]nc2c1[C@H]([NH2+]CCN1CCC3(CCCCC3)CC1)CCC2 ZINC000353586248 660004005 /nfs/dbraw/zinc/00/40/05/660004005.db2.gz CISJSTLXILHWFU-QGZVFWFLSA-N 1 0 316.493 3.423 10 0 DGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(SC(C)(C)C)c2)C1 ZINC000181606787 660012771 /nfs/dbraw/zinc/01/27/71/660012771.db2.gz ZFNMSQMXEFJFSV-AWEZNQCLSA-N 1 0 321.490 3.186 10 0 DGAERO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CN1CCOC1=S ZINC000069689674 660015365 /nfs/dbraw/zinc/01/53/65/660015365.db2.gz ZXXRKBGTNQLJKY-CVEARBPZSA-N 1 0 304.459 3.219 10 0 DGAERO CCN(CC)C(=O)CCC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000182549311 660061378 /nfs/dbraw/zinc/06/13/78/660061378.db2.gz GRCJUTRSAZIAEG-UHFFFAOYSA-N 1 0 324.509 3.042 10 0 DGAERO O=C(O[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000183184457 660104155 /nfs/dbraw/zinc/10/41/55/660104155.db2.gz MLTQNUOAPNTFSG-KRWDZBQOSA-N 1 0 314.360 3.042 10 0 DGAERO CO[C@@H](C)CCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000183230066 660105617 /nfs/dbraw/zinc/10/56/17/660105617.db2.gz DAVCKZLPQMYPDT-INIZCTEOSA-N 1 0 319.445 3.257 10 0 DGAERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)n1 ZINC000183280647 660107318 /nfs/dbraw/zinc/10/73/18/660107318.db2.gz RFJVEIBRSPYDFU-AWEZNQCLSA-N 1 0 316.788 3.166 10 0 DGAERO Cc1nscc1C(=O)OCCC[N@@H+](C)Cc1ccccc1 ZINC000184571783 660172899 /nfs/dbraw/zinc/17/28/99/660172899.db2.gz MICCDENOQRTCJC-UHFFFAOYSA-N 1 0 304.415 3.130 10 0 DGAERO C[C@H]1CC(=O)CC[C@@H]1C(=O)OCCC[N@H+](C)Cc1ccccc1 ZINC000184567574 660172953 /nfs/dbraw/zinc/17/29/53/660172953.db2.gz FOPYSWUUDOTKHB-YJBOKZPZSA-N 1 0 317.429 3.057 10 0 DGAERO COc1ccc2c(C[NH2+][C@H](C)C3CCCC3)cc(=O)oc2c1 ZINC000184631421 660177960 /nfs/dbraw/zinc/17/79/60/660177960.db2.gz ULVINVFNIMDSPP-GFCCVEGCSA-N 1 0 301.386 3.470 10 0 DGAERO CC(C)N1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[C@@H](C)C1 ZINC000187450820 661639203 /nfs/dbraw/zinc/63/92/03/661639203.db2.gz XGURUKWNDMZNII-YOEHRIQHSA-N 1 0 318.461 3.150 10 0 DGAERO CN(CCC[NH2+]C1CC1)Cc1cc(Br)cs1 ZINC000042400297 661840221 /nfs/dbraw/zinc/84/02/21/661840221.db2.gz MDCWSTAZQNTLKC-UHFFFAOYSA-N 1 0 303.269 3.085 10 0 DGAERO C[C@H](NC(=O)CCCCC[NH3+])c1ccc(-c2cccnc2)cc1 ZINC000155808698 661852969 /nfs/dbraw/zinc/85/29/69/661852969.db2.gz DGTWVOLIFNNKCK-HNNXBMFYSA-N 1 0 311.429 3.445 10 0 DGAERO C[NH+](C)C[C@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1 ZINC000044364628 661859594 /nfs/dbraw/zinc/85/95/94/661859594.db2.gz HPACDXAFVOPQMF-INIZCTEOSA-N 1 0 318.367 3.198 10 0 DGAERO CCC[C@@H]([NH2+]C[C@H](O)c1ccccc1OC)c1ccccn1 ZINC000158752665 661877559 /nfs/dbraw/zinc/87/75/59/661877559.db2.gz OGHNOUICAPZWPT-WBVHZDCISA-N 1 0 300.402 3.255 10 0 DGAERO Cc1ccc(OCC[N@@H+](C)C[C@@H](O)c2ccccc2F)cc1 ZINC000075608891 661938513 /nfs/dbraw/zinc/93/85/13/661938513.db2.gz LLEKHIIAGDOIHZ-GOSISDBHSA-N 1 0 303.377 3.178 10 0 DGAERO COc1ccc(CCC[N@H+](C)C[C@](C)(O)c2ccccc2)cc1 ZINC000075827511 661950732 /nfs/dbraw/zinc/95/07/32/661950732.db2.gz HBBMFIGDMFZYPY-FQEVSTJZSA-N 1 0 313.441 3.467 10 0 DGAERO Clc1cc(CN2CC[NH+](C3CC3)CC2)c2ccccc2n1 ZINC000188887892 661951438 /nfs/dbraw/zinc/95/14/38/661951438.db2.gz AFCGBNWKOGDHJX-UHFFFAOYSA-N 1 0 301.821 3.168 10 0 DGAERO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076075102 661966914 /nfs/dbraw/zinc/96/69/14/661966914.db2.gz BTRLZWZWEIPDGG-SJORKVTESA-N 1 0 319.445 3.306 10 0 DGAERO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(F)nc1 ZINC000189298628 661972961 /nfs/dbraw/zinc/97/29/61/661972961.db2.gz RCXBIFROCIHWML-CQSZACIVSA-N 1 0 316.376 3.032 10 0 DGAERO C[C@@]1(C[NH2+]Cc2ccc(F)nc2)CCCN1Cc1ccccc1 ZINC000189390776 661977226 /nfs/dbraw/zinc/97/72/26/661977226.db2.gz YTIRCLCRASIPIU-IBGZPJMESA-N 1 0 313.420 3.365 10 0 DGAERO CN1CC[C@@H](NC(=O)OCC2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000189777252 661990615 /nfs/dbraw/zinc/99/06/15/661990615.db2.gz IGRCTYFQFCENKC-CABCVRRESA-N 1 0 308.809 3.221 10 0 DGAERO CCC(=O)CC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000190228228 662023628 /nfs/dbraw/zinc/02/36/28/662023628.db2.gz ISCNIVOIBBZSNO-UHFFFAOYSA-N 1 0 300.446 3.130 10 0 DGAERO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000191669558 662077013 /nfs/dbraw/zinc/07/70/13/662077013.db2.gz KUXOXNFDJKISDH-INIZCTEOSA-N 1 0 310.369 3.107 10 0 DGAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)C12CCCC2 ZINC000192109818 662088103 /nfs/dbraw/zinc/08/81/03/662088103.db2.gz KHOFYHBNRZEGIH-ARFHVFGLSA-N 1 0 321.461 3.142 10 0 DGAERO CC[C@@H](C)c1ccc(NC(=O)CN2CCC([NH+](C)C)CC2)cc1 ZINC000193232752 662127286 /nfs/dbraw/zinc/12/72/86/662127286.db2.gz GVYKVBLIEJHRLT-OAHLLOKOSA-N 1 0 317.477 3.165 10 0 DGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3c(Cl)n2)C1 ZINC000194428982 662165590 /nfs/dbraw/zinc/16/55/90/662165590.db2.gz HELJXGBUAUBDIU-CYBMUJFWSA-N 1 0 317.820 3.102 10 0 DGAERO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(C(F)(F)F)s1 ZINC000717924874 662205680 /nfs/dbraw/zinc/20/56/80/662205680.db2.gz VXCFKWSGGPDXRQ-IUCAKERBSA-N 1 0 306.353 3.086 10 0 DGAERO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717933686 662206936 /nfs/dbraw/zinc/20/69/36/662206936.db2.gz BSYUJPJOHQVGGR-SECBINFHSA-N 1 0 308.369 3.190 10 0 DGAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717934403 662207097 /nfs/dbraw/zinc/20/70/97/662207097.db2.gz DQCCKZGXAWVVBG-RKDXNWHRSA-N 1 0 308.369 3.331 10 0 DGAERO Cc1coc(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000718029594 662214180 /nfs/dbraw/zinc/21/41/80/662214180.db2.gz IHCXWWMXDMJSQM-UHFFFAOYSA-N 1 0 308.422 3.325 10 0 DGAERO C[N@H+](Cc1ccccc1)[C@@H](CNCc1nccn1C1CC1)C1CC1 ZINC000718041551 662215645 /nfs/dbraw/zinc/21/56/45/662215645.db2.gz RTPKCCNFXHOVHU-IBGZPJMESA-N 1 0 324.472 3.218 10 0 DGAERO CCOc1ccc(C[NH2+]Cc2cnc(Cl)s2)cc1OC ZINC000718203308 662249907 /nfs/dbraw/zinc/24/99/07/662249907.db2.gz HHQOKDCHEWVIEZ-UHFFFAOYSA-N 1 0 312.822 3.494 10 0 DGAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000246273180 662252350 /nfs/dbraw/zinc/25/23/50/662252350.db2.gz MABQJWVGNBQECE-CGTJXYLNSA-N 1 0 312.388 3.159 10 0 DGAERO CN(C)c1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1Cl ZINC000037768845 662253013 /nfs/dbraw/zinc/25/30/13/662253013.db2.gz FNHOZEXOVCPKIR-UHFFFAOYSA-N 1 0 303.793 3.117 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000718731150 662260920 /nfs/dbraw/zinc/26/09/20/662260920.db2.gz FGNFNRKOIICSTO-ZIAGYGMSSA-N 1 0 314.470 3.227 10 0 DGAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000718823711 662262102 /nfs/dbraw/zinc/26/21/02/662262102.db2.gz ISKJQBQQMDVOKH-SOUVJXGZSA-N 1 0 314.470 3.179 10 0 DGAERO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000718845297 662263022 /nfs/dbraw/zinc/26/30/22/662263022.db2.gz VRUIJLNHTNEQRB-QXAKKESOSA-N 1 0 304.478 3.444 10 0 DGAERO CO[C@H]([C@@H](C)[NH2+]Cc1nc(C)c(Br)s1)C1CC1 ZINC000719232423 662271834 /nfs/dbraw/zinc/27/18/34/662271834.db2.gz SJSVVLQDUZOTFK-RDDDGLTNSA-N 1 0 319.268 3.117 10 0 DGAERO CO[C@]1(C[NH2+]Cc2cc(Br)cs2)CCSC1 ZINC000719302518 662273784 /nfs/dbraw/zinc/27/37/84/662273784.db2.gz NIFVJKCXGVKIOD-NSHDSACASA-N 1 0 322.293 3.122 10 0 DGAERO Cc1nc(C[NH2+][C@@H]2CCS[C@H]2C)sc1Br ZINC000719322239 662273980 /nfs/dbraw/zinc/27/39/80/662273980.db2.gz PMLKGNGGWHGELQ-JGVFFNPUSA-N 1 0 307.282 3.198 10 0 DGAERO CO[C@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCSC1 ZINC000719323411 662274060 /nfs/dbraw/zinc/27/40/60/662274060.db2.gz JMFGAMBXXXLWCV-ZDUSSCGKSA-N 1 0 305.365 3.317 10 0 DGAERO CCSCCC[NH2+]Cc1nc(C)c(Br)s1 ZINC000719321532 662274125 /nfs/dbraw/zinc/27/41/25/662274125.db2.gz HKMWLUTZOJSUCW-UHFFFAOYSA-N 1 0 309.298 3.447 10 0 DGAERO CSCC[C@@H](C)[NH2+]Cc1nc(C)c(Br)s1 ZINC000719328804 662274275 /nfs/dbraw/zinc/27/42/75/662274275.db2.gz XAHMWRNOHCMOEK-SSDOTTSWSA-N 1 0 309.298 3.445 10 0 DGAERO Cc1nc(C[NH2+]CC[C@@H]2CCCCO2)sc1Br ZINC000719328768 662274596 /nfs/dbraw/zinc/27/45/96/662274596.db2.gz WQPWIULQBKXYPI-JTQLQIEISA-N 1 0 319.268 3.263 10 0 DGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)c3cc(C)cc(C)c3)C2)c1 ZINC000246821757 662284390 /nfs/dbraw/zinc/28/43/90/662284390.db2.gz XHUZYMHZRMZKKP-MOPGFXCFSA-N 1 0 313.445 3.179 10 0 DGAERO CCc1ccc(-c2noc(-c3csc([C@H](C)[NH3+])n3)n2)cc1 ZINC000090938706 662286235 /nfs/dbraw/zinc/28/62/35/662286235.db2.gz YHAWPCFUJJJXMU-VIFPVBQESA-N 1 0 300.387 3.442 10 0 DGAERO C[C@@H](N)c1nc(C(=O)N[C@H](C)c2cccc(Cl)c2)cs1 ZINC000090951052 662287046 /nfs/dbraw/zinc/28/70/46/662287046.db2.gz QKVFCLRMPLDQLW-RKDXNWHRSA-N 1 0 309.822 3.307 10 0 DGAERO Cc1ccc(C[NH2+][C@H](C)CCCO)c(C)c1Br ZINC000719526239 662291619 /nfs/dbraw/zinc/29/16/19/662291619.db2.gz WEHJSHVQVGSAOE-LLVKDONJSA-N 1 0 300.240 3.317 10 0 DGAERO C[C@@H]1[C@@H](Nc2ncc(Br)cc2Cl)CC[N@@H+]1C ZINC000719568156 662292534 /nfs/dbraw/zinc/29/25/34/662292534.db2.gz AJGIDDBHFXDZLO-XCBNKYQSSA-N 1 0 304.619 3.002 10 0 DGAERO C[NH2+]CCCCc1nc(-c2cc(Br)ccc2C)no1 ZINC000719711086 662297287 /nfs/dbraw/zinc/29/72/87/662297287.db2.gz QHFPXLGFFPVPNJ-UHFFFAOYSA-N 1 0 324.222 3.350 10 0 DGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000247158267 662302488 /nfs/dbraw/zinc/30/24/88/662302488.db2.gz KHMUNZVIKJICFU-MVQLRYDASA-N 1 0 304.821 3.048 10 0 DGAERO OCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000247219975 662303420 /nfs/dbraw/zinc/30/34/20/662303420.db2.gz VWBGDBLDROAXJL-HOTGVXAUSA-N 1 0 322.836 3.070 10 0 DGAERO CCCc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247286119 662305912 /nfs/dbraw/zinc/30/59/12/662305912.db2.gz YWVMSIYYMWHNFI-RHSMWYFYSA-N 1 0 301.434 3.340 10 0 DGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(Cl)ccc1Cl ZINC000092628278 662333577 /nfs/dbraw/zinc/33/35/77/662333577.db2.gz UUXQXYPRTDMSKO-LLVKDONJSA-N 1 0 302.249 3.305 10 0 DGAERO COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000248477574 662348837 /nfs/dbraw/zinc/34/88/37/662348837.db2.gz YTWYJHFGXQUBCU-GOEBONIOSA-N 1 0 305.418 3.231 10 0 DGAERO CC[C@@H]1C[C@H](C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000248556997 662353632 /nfs/dbraw/zinc/35/36/32/662353632.db2.gz LTBQFZKLACABAQ-KURKYZTESA-N 1 0 317.429 3.009 10 0 DGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)nc2C)[C@@H](C)C1 ZINC000248661793 662356641 /nfs/dbraw/zinc/35/66/41/662356641.db2.gz XQXGKTUXPAJEFU-FZMZJTMJSA-N 1 0 324.856 3.237 10 0 DGAERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000093918518 662361533 /nfs/dbraw/zinc/36/15/33/662361533.db2.gz OMLFAVWBXAYQES-GJZGRUSLSA-N 1 0 324.399 3.281 10 0 DGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ncc(C)s2)C12CCOCC2 ZINC000249014821 662363059 /nfs/dbraw/zinc/36/30/59/662363059.db2.gz PJRKIVORQIZZLP-HZSPNIEDSA-N 1 0 310.463 3.076 10 0 DGAERO C[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000187363750 685114055 /nfs/dbraw/zinc/11/40/55/685114055.db2.gz NMWMEXQCMLHMHH-AAEUAGOBSA-N 1 0 311.813 3.163 10 0 DGAERO CCC[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)OC ZINC000378767195 685144442 /nfs/dbraw/zinc/14/44/42/685144442.db2.gz YQVLXWLRKPPXRI-KFWWJZLASA-N 1 0 314.470 3.037 10 0 DGAERO Brc1cnc(C[NH2+]CC2CCSCC2)s1 ZINC000379809179 685150080 /nfs/dbraw/zinc/15/00/80/685150080.db2.gz PAUZGGKUZTVDSP-UHFFFAOYSA-N 1 0 307.282 3.138 10 0 DGAERO CC[S@](=O)CC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000381416878 685157795 /nfs/dbraw/zinc/15/77/95/685157795.db2.gz WIFDFAMTRGDOIS-ABKXIKBNSA-N 1 0 324.309 3.238 10 0 DGAERO Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc(C)c1O ZINC000381670060 685158645 /nfs/dbraw/zinc/15/86/45/685158645.db2.gz BTOZULCEAGTRTF-ZIAGYGMSSA-N 1 0 322.449 3.400 10 0 DGAERO Cc1cc(C[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)on1 ZINC000381908473 685160651 /nfs/dbraw/zinc/16/06/51/685160651.db2.gz AHLWQEQFPNOVKA-UHFFFAOYSA-N 1 0 323.437 3.110 10 0 DGAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1F ZINC000381871787 685160727 /nfs/dbraw/zinc/16/07/27/685160727.db2.gz LSJYDOUHRAQWBI-PLNGDYQASA-N 1 0 312.360 3.135 10 0 DGAERO Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381846804 685160849 /nfs/dbraw/zinc/16/08/49/685160849.db2.gz DPDCLDOBBPLFOV-WAYWQWQTSA-N 1 0 308.397 3.305 10 0 DGAERO [NH2+]=C(NCCc1ccc(Br)cc1)NC1CCCCC1 ZINC000382272330 685163468 /nfs/dbraw/zinc/16/34/68/685163468.db2.gz FHZUMMCNPJLDSZ-UHFFFAOYSA-N 1 0 324.266 3.438 10 0 DGAERO Ic1ccccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000382359855 685163570 /nfs/dbraw/zinc/16/35/70/685163570.db2.gz MVNVGISVGVOPEE-PJXYFTJBSA-N 1 0 313.182 3.179 10 0 DGAERO Cc1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)o1 ZINC000382418004 685163648 /nfs/dbraw/zinc/16/36/48/685163648.db2.gz AUHLSXHPFPTZKA-BXUZGUMPSA-N 1 0 323.437 3.027 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@H](C)O1 ZINC000384869692 685172543 /nfs/dbraw/zinc/17/25/43/685172543.db2.gz IHAKBXNMJRCJIB-KNABHZPTSA-N 1 0 324.465 3.072 10 0 DGAERO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@@H](C)O1 ZINC000384869695 685172742 /nfs/dbraw/zinc/17/27/42/685172742.db2.gz IHAKBXNMJRCJIB-WOONOFOCSA-N 1 0 324.465 3.072 10 0 DGAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CCCSC1 ZINC000387520868 685184502 /nfs/dbraw/zinc/18/45/02/685184502.db2.gz HTLFHLOBDWELKA-OLZOCXBDSA-N 1 0 302.484 3.117 10 0 DGAERO C[C@H](CNCc1ccsc1Br)[NH+]1CCCCC1 ZINC000388831683 685190705 /nfs/dbraw/zinc/19/07/05/685190705.db2.gz PPQSFJNHSMXRDO-LLVKDONJSA-N 1 0 317.296 3.475 10 0 DGAERO COC(=O)c1sccc1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000389664352 685195381 /nfs/dbraw/zinc/19/53/81/685195381.db2.gz CPBKIQIOHOUJMI-LLVKDONJSA-N 1 0 303.374 3.450 10 0 DGAERO CCC[C@@H](C)C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390723581 685203816 /nfs/dbraw/zinc/20/38/16/685203816.db2.gz ZVZUBYZUEMHAME-MJGOQNOKSA-N 1 0 304.478 3.303 10 0 DGAERO C[C@H]1CC[C@H]1[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000390714779 685204491 /nfs/dbraw/zinc/20/44/91/685204491.db2.gz BXLODORPBLPLOD-WMLDXEAASA-N 1 0 302.418 3.176 10 0 DGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000390794472 685205946 /nfs/dbraw/zinc/20/59/46/685205946.db2.gz YVRQJKYMCDTGHC-WDEREUQCSA-N 1 0 314.376 3.356 10 0 DGAERO Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000390818967 685206294 /nfs/dbraw/zinc/20/62/94/685206294.db2.gz SBCWXYOVQPAUSU-SREVYHEPSA-N 1 0 304.434 3.474 10 0 DGAERO c1ccc(COCc2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)cc1 ZINC000395573484 685225599 /nfs/dbraw/zinc/22/55/99/685225599.db2.gz SVQSMHXORHGSRP-JYJNAYRXSA-N 1 0 313.401 3.380 10 0 DGAERO C[C@@]1(CNC(=O)N2CCCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398104557 685235127 /nfs/dbraw/zinc/23/51/27/685235127.db2.gz OFRFWERCTSPRFP-IBGZPJMESA-N 1 0 315.461 3.237 10 0 DGAERO FC(F)OCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000398255295 685236296 /nfs/dbraw/zinc/23/62/96/685236296.db2.gz LZZSOUBAVLLDRY-JTQLQIEISA-N 1 0 322.149 3.102 10 0 DGAERO Ic1ccccc1C[NH2+][C@H]1CC=CCC1 ZINC000076770858 1196514110 /nfs/dbraw/zinc/51/41/10/1196514110.db2.gz RZDROKVBYLRTHN-LBPRGKRZSA-N 1 0 313.182 3.490 10 0 DGAERO CCCOc1cc(C[NH2+]CCc2cccnc2)ccc1OC ZINC000128712460 1176042451 /nfs/dbraw/zinc/04/24/51/1176042451.db2.gz MHZGVQWEROWHGQ-UHFFFAOYSA-N 1 0 300.402 3.211 10 0 DGAERO Cc1ccoc1C[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399027621 1176230544 /nfs/dbraw/zinc/23/05/44/1176230544.db2.gz KLMWQPIAEKRUAK-KBPBESRZSA-N 1 0 308.422 3.466 10 0 DGAERO Cc1ccoc1C[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399028161 1176230636 /nfs/dbraw/zinc/23/06/36/1176230636.db2.gz KLMWQPIAEKRUAK-UONOGXRCSA-N 1 0 308.422 3.466 10 0 DGAERO CCCn1cncc1C[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000389933070 1176260329 /nfs/dbraw/zinc/26/03/29/1176260329.db2.gz JVNLVRATTHLOOE-MRXNPFEDSA-N 1 0 301.434 3.236 10 0 DGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)[C@@H](C)O1 ZINC000379632414 1176801018 /nfs/dbraw/zinc/80/10/18/1176801018.db2.gz SLIWBSKZABOXBV-FPAYPSAMSA-N 1 0 302.462 3.197 10 0 DGAERO COC1CC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000227586891 1176923808 /nfs/dbraw/zinc/92/38/08/1176923808.db2.gz QYHVDGQLRRDWEX-UHFFFAOYSA-N 1 0 306.406 3.301 10 0 DGAERO CC[C@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CC1(C)C ZINC000397724298 1177010896 /nfs/dbraw/zinc/01/08/96/1177010896.db2.gz WUXUXWFHZXYSJE-STQMWFEESA-N 1 0 314.271 3.450 10 0 DGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(C)no1 ZINC000381923540 1177012979 /nfs/dbraw/zinc/01/29/79/1177012979.db2.gz OSSCDBJYQOUNDW-UHFFFAOYSA-N 1 0 311.426 3.156 10 0 DGAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](ONC(=O)OC(C)(C)C)C(C)C ZINC000398711651 1177028517 /nfs/dbraw/zinc/02/85/17/1177028517.db2.gz VPUZOSZUIKGKCK-MJBXVCDLSA-N 1 0 302.459 3.492 10 0 DGAERO CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C1)ONC(=O)OC(C)(C)C ZINC000398708307 1177028524 /nfs/dbraw/zinc/02/85/24/1177028524.db2.gz UMTMLWBZRZBNPT-MGPQQGTHSA-N 1 0 300.443 3.246 10 0 DGAERO Cc1ccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)cc1F ZINC000225191752 1177061878 /nfs/dbraw/zinc/06/18/78/1177061878.db2.gz BVUUIXOBFGXSQC-UHFFFAOYSA-N 1 0 310.413 3.481 10 0 DGAERO CC1(C)C[C@H]1C[NH2+]Cc1cccc(I)c1 ZINC000308807293 1177081346 /nfs/dbraw/zinc/08/13/46/1177081346.db2.gz PFQWVGHXDDABFT-NSHDSACASA-N 1 0 315.198 3.427 10 0 DGAERO CC/C=C/C[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000384756400 1177121144 /nfs/dbraw/zinc/12/11/44/1177121144.db2.gz PGMTTZYWASTIGM-SNAWJCMRSA-N 1 0 312.207 3.292 10 0 DGAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)c(F)c1 ZINC000088083986 1177221110 /nfs/dbraw/zinc/22/11/10/1177221110.db2.gz UADDVHFQAIZGAJ-SKDRFNHKSA-N 1 0 315.186 3.044 10 0 DGAERO Fc1ccc(CC[NH2+]Cc2ncccc2Br)cc1 ZINC000386618062 1177410097 /nfs/dbraw/zinc/41/00/97/1177410097.db2.gz NOKWGNNGDUCBHC-UHFFFAOYSA-N 1 0 309.182 3.316 10 0 DGAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000085359904 1177648666 /nfs/dbraw/zinc/64/86/66/1177648666.db2.gz MUNFBKYQZZPQIB-RYUDHWBXSA-N 1 0 300.374 3.457 10 0 DGAERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1C(F)(F)F ZINC000085373081 1177713476 /nfs/dbraw/zinc/71/34/76/1177713476.db2.gz STZYPLHEZHMELN-DGCLKSJQSA-N 1 0 300.324 3.470 10 0 DGAERO CN1CCCC[C@H]1C[NH2+]Cc1sccc1Br ZINC000044562861 1194286968 /nfs/dbraw/zinc/28/69/68/1194286968.db2.gz UGGXVQNJPQCQLX-JTQLQIEISA-N 1 0 303.269 3.085 10 0 DGAERO c1cn(CCC[NH2+]Cc2ccccc2OCc2ccccn2)cn1 ZINC000066349999 1195523417 /nfs/dbraw/zinc/52/34/17/1195523417.db2.gz BBTTYQDDGLBINP-UHFFFAOYSA-N 1 0 322.412 3.037 10 0 DGAERO c1ccc(OCCCC[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000075756337 1196417608 /nfs/dbraw/zinc/41/76/08/1196417608.db2.gz YRKBIUQWCGPFFH-UHFFFAOYSA-N 1 0 313.397 3.407 10 0 DGAERO Fc1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1F ZINC000075781729 1196421639 /nfs/dbraw/zinc/42/16/39/1196421639.db2.gz QRWHLMJAUVUSGR-UHFFFAOYSA-N 1 0 313.351 3.499 10 0 DGAERO CC(C)CN(C(=O)C[N@H+](C)[C@H](C)Cc1ccsc1)C1CC1 ZINC000081599866 1197237803 /nfs/dbraw/zinc/23/78/03/1197237803.db2.gz ZJENUPZCZOLBSK-CQSZACIVSA-N 1 0 308.491 3.258 10 0 DGAERO CC(C)CN(C(=O)C[N@H+](C)[C@@H](C)Cc1ccsc1)C1CC1 ZINC000081599865 1197237960 /nfs/dbraw/zinc/23/79/60/1197237960.db2.gz ZJENUPZCZOLBSK-AWEZNQCLSA-N 1 0 308.491 3.258 10 0 DGAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000387049547 1197707554 /nfs/dbraw/zinc/70/75/54/1197707554.db2.gz SXBPPHVUGWLGPJ-MKBNYLNASA-N 1 0 320.433 3.380 10 0 DGAERO CCc1ccccc1C[NH2+]CCCn1cc(Br)cn1 ZINC000388251957 1197708855 /nfs/dbraw/zinc/70/88/55/1197708855.db2.gz IGTKCDKEGHLUQB-UHFFFAOYSA-N 1 0 322.250 3.388 10 0 DGAERO COc1ccc(OC)c(C[NH2+]CCOCc2ccccc2)c1 ZINC000390085187 1197711417 /nfs/dbraw/zinc/71/14/17/1197711417.db2.gz FSMCWONOYHTOSN-UHFFFAOYSA-N 1 0 301.386 3.010 10 0 DGAERO Cc1n[nH]c(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000392365574 1197716415 /nfs/dbraw/zinc/71/64/15/1197716415.db2.gz GKTLIGCLESZAEZ-UHFFFAOYSA-N 1 0 322.412 3.024 10 0 DGAERO C[C@@H](CCc1ccco1)[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397947710 1197723323 /nfs/dbraw/zinc/72/33/23/1197723323.db2.gz XSWPCLNKEOBQAE-AWEZNQCLSA-N 1 0 310.438 3.495 10 0 DGAERO C[C@H](CCO)CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000397613335 1197723604 /nfs/dbraw/zinc/72/36/04/1197723604.db2.gz CXYPFJSNEHEQBM-AWEZNQCLSA-N 1 0 316.486 3.020 10 0 DGAERO C[C@H]1CC[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)O1 ZINC000398089487 1197724220 /nfs/dbraw/zinc/72/42/20/1197724220.db2.gz OYDFBUPEOGZOME-UONOGXRCSA-N 1 0 314.470 3.179 10 0 DGAERO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C)ccc1Br ZINC000091469890 1198420083 /nfs/dbraw/zinc/42/00/83/1198420083.db2.gz PZJJJYKKAHBAMM-AWEZNQCLSA-N 1 0 311.267 3.331 10 0 DGAERO CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000096628152 1198985483 /nfs/dbraw/zinc/98/54/83/1198985483.db2.gz UOOQVOLXXLNVBV-MRXNPFEDSA-N 1 0 315.461 3.346 10 0 DGAERO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000096628294 1198985588 /nfs/dbraw/zinc/98/55/88/1198985588.db2.gz FWWLDRMTUXCVMI-GFCCVEGCSA-N 1 0 310.825 3.408 10 0 DGAERO OCCC1(C[NH2+]C2CC(c3ccccc3Br)C2)CC1 ZINC000097817791 1199159838 /nfs/dbraw/zinc/15/98/38/1199159838.db2.gz REXKJCXKPLTOEG-UHFFFAOYSA-N 1 0 324.262 3.447 10 0 DGAERO CCOc1ccc(C[NH2+]CCCn2nc(C)cc2C)cc1OC ZINC000098078539 1199191268 /nfs/dbraw/zinc/19/12/68/1199191268.db2.gz MDGIFYXAIVUFHC-UHFFFAOYSA-N 1 0 317.433 3.087 10 0 DGAERO CC(C)SCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401720897 1199416825 /nfs/dbraw/zinc/41/68/25/1199416825.db2.gz JBRXKEQZDZCGPM-KGLIPLIRSA-N 1 0 316.511 3.363 10 0 DGAERO CCCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404493613 1199563436 /nfs/dbraw/zinc/56/34/36/1199563436.db2.gz DBTJFURFJKWDMY-ULQDDVLXSA-N 1 0 317.477 3.479 10 0 DGAERO CC(C)OCCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404762932 1199583288 /nfs/dbraw/zinc/58/32/88/1199583288.db2.gz JXQNHNIEYGVVEN-ZIAGYGMSSA-N 1 0 314.470 3.083 10 0 DGAERO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000305056767 1199671643 /nfs/dbraw/zinc/67/16/43/1199671643.db2.gz CTAFWDDWRKVWOO-UWVGGRQHSA-N 1 0 304.203 3.085 10 0 DGAERO CCn1nc(C)c(C[NH2+]CCCOCc2ccccc2)c1C ZINC000307965779 1199702193 /nfs/dbraw/zinc/70/21/93/1199702193.db2.gz GFOVVNVVWRPCJG-UHFFFAOYSA-N 1 0 301.434 3.216 10 0 DGAERO Brc1ccc(C[NH2+]CCOc2cccnc2)s1 ZINC000114507319 1199702864 /nfs/dbraw/zinc/70/28/64/1199702864.db2.gz IEOXGZIMSMOMKP-UHFFFAOYSA-N 1 0 313.220 3.074 10 0 DGAERO CC(C)(C)OC(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 ZINC000114626801 1199706194 /nfs/dbraw/zinc/70/61/94/1199706194.db2.gz IPCHJZXMHXHOKV-UHFFFAOYSA-N 1 0 305.422 3.213 10 0 DGAERO C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2N)CC1(C)C ZINC000311436180 1199739603 /nfs/dbraw/zinc/73/96/03/1199739603.db2.gz OEFUAJCFNNDNBP-UHFFFAOYSA-N 1 0 302.249 3.102 10 0 DGAERO CC(C)(C)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000312967038 1199759214 /nfs/dbraw/zinc/75/92/14/1199759214.db2.gz UVCPAMQZAGHPHL-UHFFFAOYSA-N 1 0 316.276 3.492 10 0 DGAERO c1cnc2ccc(C[NH2+]CCCOCC3CCOCC3)cc2c1 ZINC000123418666 1200278897 /nfs/dbraw/zinc/27/88/97/1200278897.db2.gz UJFHZRMAYCGZRO-UHFFFAOYSA-N 1 0 314.429 3.158 10 0 DGAERO C=CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000130655787 1201052998 /nfs/dbraw/zinc/05/29/98/1201052998.db2.gz RZMNFQFIFBCQFO-UHFFFAOYSA-N 1 0 309.251 3.189 10 0 DGAERO C=CCOc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)cc1Cl ZINC000133353886 1201191153 /nfs/dbraw/zinc/19/11/53/1201191153.db2.gz NGBVGDNLVXBSMJ-YUNKPMOVSA-N 1 0 315.866 3.152 10 0 DGAERO c1nc(C2CCCC2)sc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000136198774 1201211214 /nfs/dbraw/zinc/21/12/14/1201211214.db2.gz DUYMUMPGIVQESZ-AWEZNQCLSA-N 1 0 324.490 3.334 10 0 DGAERO CC(C)C[C@H](CO)[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230307110 1202597815 /nfs/dbraw/zinc/59/78/15/1202597815.db2.gz NKTHGFPSCMOTMI-SECBINFHSA-N 1 0 322.193 3.224 10 0 DGAERO COC(C)(C)CC[NH2+]Cc1cc(F)ccc1Br ZINC000231024673 1202598921 /nfs/dbraw/zinc/59/89/21/1202598921.db2.gz KJOBYJPWHPVKEF-UHFFFAOYSA-N 1 0 304.203 3.493 10 0 DGAERO Brc1ccccc1C1CC([NH2+]Cc2ccno2)C1 ZINC000231885362 1202600470 /nfs/dbraw/zinc/60/04/70/1202600470.db2.gz IEMRCKKQODLJMO-UHFFFAOYSA-N 1 0 307.191 3.473 10 0 DGAERO C[N@@H+](Cc1cccc(Br)c1)CC1CCC(O)CC1 ZINC000258844930 1202600692 /nfs/dbraw/zinc/60/06/92/1202600692.db2.gz FMSOZSBWWMUVSD-UHFFFAOYSA-N 1 0 312.251 3.432 10 0 DGAERO CC[C@H](O)C[NH2+][C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000232141548 1202600731 /nfs/dbraw/zinc/60/07/31/1202600731.db2.gz DZPFWCCFUHXUKB-GOEBONIOSA-N 1 0 320.433 3.381 10 0 DGAERO c1[nH]nc2cc(C[NH2+]C[C@H](c3ccccc3)N3CCCC3)ccc12 ZINC000236667357 1202618524 /nfs/dbraw/zinc/61/85/24/1202618524.db2.gz HJPCOWALHWAYJY-HXUWFJFHSA-N 1 0 320.440 3.490 10 0 DGAERO c1ccc(COc2ccccc2C[NH2+]CCOCC2CC2)nc1 ZINC000236733137 1202622408 /nfs/dbraw/zinc/62/24/08/1202622408.db2.gz FMJMGWSGMJAGEY-UHFFFAOYSA-N 1 0 312.413 3.177 10 0 DGAERO c1[nH]nc2cc(C[NH2+]C3CCN(Cc4ccccc4)CC3)ccc12 ZINC000236741074 1202622621 /nfs/dbraw/zinc/62/26/21/1202622621.db2.gz KRWLYCTVUMBVQR-UHFFFAOYSA-N 1 0 320.440 3.317 10 0 DGAERO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000191045396 1203283209 /nfs/dbraw/zinc/28/32/09/1203283209.db2.gz ADEQNJWQHYIMAH-SUMWQHHRSA-N 1 0 316.445 3.163 10 0 DGAERO CC(=O)CCCCCCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000163742814 1203588707 /nfs/dbraw/zinc/58/87/07/1203588707.db2.gz MHYGOWSWNKLESA-GOSISDBHSA-N 1 0 322.493 3.297 10 0 DGAERO C[C@@H](Cc1ccsc1)[N@H+](C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000176439620 1203930791 /nfs/dbraw/zinc/93/07/91/1203930791.db2.gz LKLAEWMMWWRIQJ-KBPBESRZSA-N 1 0 320.502 3.400 10 0 DGAERO COc1cccc([C@@H](C)[NH2+]CCOc2ccc3c(c2)OCO3)c1 ZINC000177237379 1203948000 /nfs/dbraw/zinc/94/80/00/1203948000.db2.gz NJGDRPMFRFRPPN-CYBMUJFWSA-N 1 0 315.369 3.154 10 0 DGAERO C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000177368005 1203948265 /nfs/dbraw/zinc/94/82/65/1203948265.db2.gz BUTSOYBREIUARI-CQSZACIVSA-N 1 0 312.442 3.392 10 0 DGAERO C[NH2+]C1CCN(C(=O)c2ccc(-c3ccccc3)s2)CC1 ZINC000179144638 1204305437 /nfs/dbraw/zinc/30/54/37/1204305437.db2.gz CSLIPHCGPUHQLI-UHFFFAOYSA-N 1 0 300.427 3.239 10 0 DGAERO CCN(CC)C(=O)c1cccc(N[C@@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000262304057 1204314254 /nfs/dbraw/zinc/31/42/54/1204314254.db2.gz OXZBNSSOVYPJKD-GOEBONIOSA-N 1 0 303.450 3.111 10 0 DGAERO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000181410323 1204336660 /nfs/dbraw/zinc/33/66/60/1204336660.db2.gz RFKIHADTESIZOO-LBPRGKRZSA-N 1 0 312.442 3.337 10 0 DGAERO C[C@H]([NH2+]CCOc1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000181556661 1204338131 /nfs/dbraw/zinc/33/81/31/1204338131.db2.gz XZXXKAWNZJYRJS-ZDUSSCGKSA-N 1 0 310.353 3.017 10 0 DGAERO